NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
459255 | 2kvh | 16797 | cing | 4-filtered-FRED | STAR | entry | full | 158 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2kvh # This FRED archive file contains, for PDB entry <2kvh>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396. save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.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_2kvh _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2kvh _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all other bound" _Assembly.Molecular_mass 3186.96 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 $Zinc_finger_and_BTB_domain_containing_protein_32 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_Zinc_finger_and_BTB_domain_containing_protein_32 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Zinc finger and BTB domain containing protein 32" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code EKPFSCSLCPQRSRDFSAMTKHLRTHG _Entity.Number_of_monomers 27 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 GLU . 1 1 2 LYS . 1 1 3 PRO . 1 1 4 PHE . 1 1 5 SER . 1 1 6 CYS . 1 1 7 SER . 1 1 8 LEU . 1 1 9 CYS . 1 1 10 PRO . 1 1 11 GLN . 1 1 12 ARG . 1 1 13 SER . 1 1 14 ARG . 1 1 15 ASP . 1 1 16 PHE . 1 1 17 SER . 1 1 18 ALA . 1 1 19 MET . 1 1 20 THR . 1 1 21 LYS . 1 1 22 HIS . 1 1 23 LEU . 1 1 24 ARG . 1 1 25 THR . 1 1 26 HIS . 1 1 27 GLY . 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 GLU 1 1 1 1 LYS 2 2 1 1 PRO 3 3 1 1 PHE 4 4 1 1 SER 5 5 1 1 CYS 6 6 1 1 SER 7 7 1 1 LEU 8 8 1 1 CYS 9 9 1 1 PRO 10 10 1 1 GLN 11 11 1 1 ARG 12 12 1 1 SER 13 13 1 1 ARG 14 14 1 1 ASP 15 15 1 1 PHE 16 16 1 1 SER 17 17 1 1 ALA 18 18 1 1 MET 19 19 1 1 THR 20 20 1 1 LYS 21 21 1 1 HIS 22 22 1 1 LEU 23 23 1 1 ARG 24 24 1 1 THR 25 25 1 1 HIS 26 26 1 1 GLY 27 27 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_2_2 _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 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 GLU HA . 29 . HA 1 1 1 1 2 1 1 2 LYS H . 30 . HN 1 1 2 1 1 1 1 1 GLU QG . 29 . HG* 1 1 2 1 2 1 1 2 LYS H . 30 . HN 1 1 3 1 1 1 1 1 GLU QB . 29 . HB* 1 1 3 1 2 1 1 2 LYS H . 30 . HN 1 1 4 1 1 1 1 2 LYS HA . 30 . HA 1 1 4 1 2 1 1 3 PRO QD . 31 . HD* 1 1 5 1 1 1 1 4 PHE H . 32 . HN 1 1 5 1 2 1 1 13 SER H . 41 . HN 1 1 6 1 1 1 1 3 PRO QD . 31 . HD* 1 1 6 1 2 1 1 4 PHE H . 32 . HN 1 1 7 1 1 1 1 3 PRO QB . 31 . HB* 1 1 7 1 2 1 1 4 PHE H . 32 . HN 1 1 8 1 1 1 1 4 PHE HA . 32 . HA 1 1 8 1 2 1 1 5 SER H . 33 . HN 1 1 9 1 1 1 1 4 PHE QB . 32 . HB* 1 1 9 1 2 1 1 5 SER H . 33 . HN 1 1 10 1 1 1 1 5 SER HA . 33 . HA 1 1 10 1 2 1 1 12 ARG HA . 40 . HA 1 1 11 1 1 1 1 5 SER HA . 33 . HA 1 1 11 1 2 1 1 13 SER H . 41 . HN 1 1 12 1 1 1 1 5 SER HA . 33 . HA 1 1 12 1 2 1 1 11 GLN QG . 39 . HG* 1 1 13 1 1 1 1 5 SER QB . 33 . HB* 1 1 13 1 2 1 1 11 GLN QG . 39 . HG* 1 1 14 1 1 1 1 6 CYS H . 34 . HN 1 1 14 1 2 1 1 11 GLN H . 39 . HN 1 1 15 1 1 1 1 6 CYS H . 34 . HN 1 1 15 1 2 1 1 12 ARG HA . 40 . HA 1 1 16 1 1 1 1 5 SER HA . 33 . HA 1 1 16 1 2 1 1 6 CYS H . 34 . HN 1 1 17 1 1 1 1 5 SER QB . 33 . HB* 1 1 17 1 2 1 1 6 CYS H . 34 . HN 1 1 18 1 1 1 1 6 CYS H . 34 . HN 1 1 18 1 2 1 1 12 ARG QD . 40 . HD* 1 1 19 1 1 1 1 6 CYS H . 34 . HN 1 1 19 1 2 1 1 12 ARG QB . 40 . HB* 1 1 20 1 1 1 1 6 CYS HA . 34 . HA 1 1 20 1 2 1 1 7 SER H . 35 . HN 1 1 21 1 1 1 1 6 CYS QB . 34 . HB* 1 1 21 1 2 1 1 11 GLN QG . 39 . HG* 1 1 22 1 1 1 1 7 SER H . 35 . HN 1 1 22 1 2 1 1 8 LEU H . 36 . HN 1 1 23 1 1 1 1 8 LEU H . 36 . HN 1 1 23 1 2 1 1 9 CYS H . 37 . HN 1 1 24 1 1 1 1 8 LEU HA . 36 . HA 1 1 24 1 2 1 1 9 CYS H . 37 . HN 1 1 25 1 1 1 1 9 CYS H . 37 . HN 1 1 25 1 2 1 1 10 PRO QD . 38 . HD* 1 1 26 1 1 1 1 8 LEU HG . 36 . HG 1 1 26 1 2 1 1 9 CYS H . 37 . HN 1 1 27 1 1 1 1 8 LEU QD . 36 . HD* 1 1 27 1 2 1 1 9 CYS H . 37 . HN 1 1 28 1 1 1 1 9 CYS HA . 37 . HA 1 1 28 1 2 1 1 10 PRO QD . 38 . HD* 1 1 29 1 1 1 1 9 CYS HA . 37 . HA 1 1 29 1 2 1 1 11 GLN H . 39 . HN 1 1 30 1 1 1 1 10 PRO HA . 38 . HA 1 1 30 1 2 1 1 11 GLN H . 39 . HN 1 1 31 1 1 1 1 6 CYS QB . 34 . HB* 1 1 31 1 2 1 1 11 GLN H . 39 . HN 1 1 32 1 1 1 1 9 CYS QB . 37 . HB* 1 1 32 1 2 1 1 11 GLN H . 39 . HN 1 1 33 1 1 1 1 10 PRO QB . 38 . HB* 1 1 33 1 2 1 1 11 GLN H . 39 . HN 1 1 34 1 1 1 1 11 GLN HA . 39 . HA 1 1 34 1 2 1 1 12 ARG HA . 40 . HA 1 1 35 1 1 1 1 11 GLN HA . 39 . HA 1 1 35 1 2 1 1 12 ARG H . 40 . HN 1 1 36 1 1 1 1 12 ARG HA . 40 . HA 1 1 36 1 2 1 1 13 SER H . 41 . HN 1 1 37 1 1 1 1 4 PHE QB . 32 . HB* 1 1 37 1 2 1 1 13 SER H . 41 . HN 1 1 38 1 1 1 1 12 ARG QB . 40 . HB* 1 1 38 1 2 1 1 13 SER H . 41 . HN 1 1 39 1 1 1 1 13 SER QB . 41 . HB* 1 1 39 1 2 1 1 19 MET QG . 47 . HG* 1 1 40 1 1 1 1 13 SER QB . 41 . HB* 1 1 40 1 2 1 1 19 MET QB . 47 . HB* 1 1 41 1 1 1 1 13 SER QB . 41 . HB* 1 1 41 1 2 1 1 18 ALA MB . 46 . HB* 1 1 42 1 1 1 1 14 ARG HA . 42 . HA 1 1 42 1 2 1 1 15 ASP H . 43 . HN 1 1 43 1 1 1 1 13 SER QB . 41 . HB* 1 1 43 1 2 1 1 15 ASP H . 43 . HN 1 1 44 1 1 1 1 14 ARG QB . 42 . HB* 1 1 44 1 2 1 1 15 ASP H . 43 . HN 1 1 45 1 1 1 1 15 ASP H . 43 . HN 1 1 45 1 2 1 1 18 ALA MB . 46 . HB* 1 1 46 1 1 1 1 15 ASP QB . 43 . HB* 1 1 46 1 2 1 1 18 ALA MB . 46 . HB* 1 1 47 1 1 1 1 16 PHE H . 44 . HN 1 1 47 1 2 1 1 17 SER H . 45 . HN 1 1 48 1 1 1 1 16 PHE QD . 44 . HD* 1 1 48 1 2 1 1 23 LEU QD . 51 . HD* 1 1 49 1 1 1 1 17 SER H . 45 . HN 1 1 49 1 2 1 1 18 ALA H . 46 . HN 1 1 50 1 1 1 1 17 SER H . 45 . HN 1 1 50 1 2 1 1 19 MET H . 47 . HN 1 1 51 1 1 1 1 16 PHE HA . 44 . HA 1 1 51 1 2 1 1 17 SER H . 45 . HN 1 1 52 1 1 1 1 16 PHE QB . 44 . HB* 1 1 52 1 2 1 1 17 SER H . 45 . HN 1 1 53 1 1 1 1 15 ASP QB . 43 . HB* 1 1 53 1 2 1 1 17 SER H . 45 . HN 1 1 54 1 1 1 1 18 ALA H . 46 . HN 1 1 54 1 2 1 1 19 MET H . 47 . HN 1 1 55 1 1 1 1 17 SER QB . 45 . HB* 1 1 55 1 2 1 1 18 ALA H . 46 . HN 1 1 56 1 1 1 1 15 ASP QB . 43 . HB* 1 1 56 1 2 1 1 18 ALA H . 46 . HN 1 1 57 1 1 1 1 18 ALA H . 46 . HN 1 1 57 1 2 1 1 19 MET QB . 47 . HB* 1 1 58 1 1 1 1 18 ALA HA . 46 . HA 1 1 58 1 2 1 1 21 LYS QB . 49 . HB* 1 1 59 1 1 1 1 18 ALA MB . 46 . HB* 1 1 59 1 2 1 1 19 MET HA . 47 . HA 1 1 60 1 1 1 1 18 ALA MB . 46 . HB* 1 1 60 1 2 1 1 19 MET QB . 47 . HB* 1 1 61 1 1 1 1 19 MET H . 47 . HN 1 1 61 1 2 1 1 20 THR H . 48 . HN 1 1 62 1 1 1 1 16 PHE HA . 44 . HA 1 1 62 1 2 1 1 19 MET H . 47 . HN 1 1 63 1 1 1 1 16 PHE QB . 44 . HB* 1 1 63 1 2 1 1 19 MET H . 47 . HN 1 1 64 1 1 1 1 18 ALA MB . 46 . HB* 1 1 64 1 2 1 1 19 MET H . 47 . HN 1 1 65 1 1 1 1 19 MET H . 47 . HN 1 1 65 1 2 1 1 20 THR HG1 . 48 . HG* 1 1 65 1 2 1 1 20 THR MG . 48 . HG* 1 1 66 1 1 1 1 19 MET HA . 47 . HA 1 1 66 1 2 1 1 22 HIS QB . 50 . HB* 1 1 67 1 1 1 1 20 THR H . 48 . HN 1 1 67 1 2 1 1 21 LYS H . 49 . HN 1 1 68 1 1 1 1 19 MET HA . 47 . HA 1 1 68 1 2 1 1 20 THR H . 48 . HN 1 1 69 1 1 1 1 16 PHE QB . 44 . HB* 1 1 69 1 2 1 1 20 THR H . 48 . HN 1 1 70 1 1 1 1 19 MET QB . 47 . HB* 1 1 70 1 2 1 1 20 THR H . 48 . HN 1 1 71 1 1 1 1 18 ALA MB . 46 . HB* 1 1 71 1 2 1 1 20 THR H . 48 . HN 1 1 72 1 1 1 1 21 LYS H . 49 . HN 1 1 72 1 2 1 1 23 LEU H . 51 . HN 1 1 73 1 1 1 1 21 LYS H . 49 . HN 1 1 73 1 2 1 1 22 HIS H . 50 . HN 1 1 74 1 1 1 1 19 MET H . 47 . HN 1 1 74 1 2 1 1 21 LYS H . 49 . HN 1 1 75 1 1 1 1 18 ALA H . 46 . HN 1 1 75 1 2 1 1 21 LYS H . 49 . HN 1 1 76 1 1 1 1 20 THR HA . 48 . HA 1 1 76 1 2 1 1 21 LYS H . 49 . HN 1 1 77 1 1 1 1 20 THR HB . 48 . HB 1 1 77 1 2 1 1 21 LYS H . 49 . HN 1 1 78 1 1 1 1 21 LYS H . 49 . HN 1 1 78 1 2 1 1 22 HIS QB . 50 . HB* 1 1 79 1 1 1 1 20 THR HG1 . 48 . HG* 1 1 79 1 1 1 1 20 THR MG . 48 . HG* 1 1 79 1 2 1 1 21 LYS H . 49 . HN 1 1 80 1 1 1 1 21 LYS QB . 49 . HB* 1 1 80 1 2 1 1 25 THR HB . 53 . HB* 1 1 81 1 1 1 1 22 HIS H . 50 . HN 1 1 81 1 2 1 1 23 LEU H . 51 . HN 1 1 82 1 1 1 1 19 MET HA . 47 . HA 1 1 82 1 2 1 1 22 HIS H . 50 . HN 1 1 83 1 1 1 1 20 THR HA . 48 . HA 1 1 83 1 2 1 1 22 HIS H . 50 . HN 1 1 84 1 1 1 1 21 LYS HA . 49 . HA 1 1 84 1 2 1 1 22 HIS H . 50 . HN 1 1 85 1 1 1 1 21 LYS QB . 49 . HB* 1 1 85 1 2 1 1 22 HIS H . 50 . HN 1 1 86 1 1 1 1 21 LYS QG . 49 . HG* 1 1 86 1 2 1 1 22 HIS H . 50 . HN 1 1 87 1 1 1 1 22 HIS HA . 50 . HA 1 1 87 1 2 1 1 25 THR HB . 53 . HB* 1 1 88 1 1 1 1 22 HIS HA . 50 . HA 1 1 88 1 2 1 1 25 THR HG1 . 53 . HG* 1 1 88 1 2 1 1 25 THR MG . 53 . HG* 1 1 89 1 1 1 1 22 HIS HD1 . 50 . HD* 1 1 89 1 1 1 1 22 HIS HD2 . 50 . HD* 1 1 89 1 2 1 1 26 HIS HD1 . 54 . HD* 1 1 89 1 2 1 1 26 HIS HD2 . 54 . HD* 1 1 90 1 1 1 1 22 HIS HA . 50 . HA 1 1 90 1 2 1 1 22 HIS HD1 . 50 . HD* 1 1 90 1 2 1 1 22 HIS HD2 . 50 . HD* 1 1 91 1 1 1 1 22 HIS HD1 . 50 . HD* 1 1 91 1 1 1 1 22 HIS HD2 . 50 . HD* 1 1 91 1 2 1 1 23 LEU HA . 51 . HA 1 1 92 1 1 1 1 11 GLN QG . 39 . HG* 1 1 92 1 2 1 1 22 HIS HD1 . 50 . HD* 1 1 92 1 2 1 1 22 HIS HD2 . 50 . HD* 1 1 93 1 1 1 1 22 HIS HD1 . 50 . HD* 1 1 93 1 1 1 1 22 HIS HD2 . 50 . HD* 1 1 93 1 2 1 1 23 LEU QB . 51 . HB* 1 1 94 1 1 1 1 22 HIS HD1 . 50 . HD* 1 1 94 1 1 1 1 22 HIS HD2 . 50 . HD* 1 1 94 1 2 1 1 25 THR HG1 . 53 . HG* 1 1 94 1 2 1 1 25 THR MG . 53 . HG* 1 1 95 1 1 1 1 22 HIS HD1 . 50 . HD* 1 1 95 1 1 1 1 22 HIS HD2 . 50 . HD* 1 1 95 1 2 1 1 23 LEU QD . 51 . HD* 1 1 96 1 1 1 1 22 HIS HE1 . 50 . HE* 1 1 96 1 2 1 1 26 HIS HD1 . 54 . HD* 1 1 96 1 2 1 1 26 HIS HD2 . 54 . HD* 1 1 97 1 1 1 1 22 HIS HE1 . 50 . HE* 1 1 97 1 2 1 1 23 LEU QB . 51 . HB* 1 1 98 1 1 1 1 22 HIS HE1 . 50 . HE* 1 1 98 1 2 1 1 25 THR HG1 . 53 . HG* 1 1 98 1 2 1 1 25 THR MG . 53 . HG* 1 1 99 1 1 1 1 23 LEU H . 51 . HN 1 1 99 1 2 1 1 24 ARG H . 52 . HN 1 1 100 1 1 1 1 22 HIS HD1 . 50 . HD* 1 1 100 1 1 1 1 22 HIS HD2 . 50 . HD* 1 1 100 1 2 1 1 23 LEU H . 51 . HN 1 1 101 1 1 1 1 22 HIS HA . 50 . HA 1 1 101 1 2 1 1 23 LEU H . 51 . HN 1 1 102 1 1 1 1 20 THR HB . 48 . HB 1 1 102 1 2 1 1 23 LEU H . 51 . HN 1 1 103 1 1 1 1 22 HIS QB . 50 . HB* 1 1 103 1 2 1 1 23 LEU H . 51 . HN 1 1 104 1 1 1 1 23 LEU HA . 51 . HA 1 1 104 1 2 1 1 26 HIS HD1 . 54 . HD* 1 1 104 1 2 1 1 26 HIS HD2 . 54 . HD* 1 1 105 1 1 1 1 22 HIS H . 50 . HN 1 1 105 1 2 1 1 24 ARG H . 52 . HN 1 1 106 1 1 1 1 24 ARG H . 52 . HN 1 1 106 1 2 1 1 25 THR H . 53 . HN 1 1 107 1 1 1 1 23 LEU HA . 51 . HA 1 1 107 1 2 1 1 24 ARG H . 52 . HN 1 1 108 1 1 1 1 24 ARG H . 52 . HN 1 1 108 1 2 1 1 25 THR HG1 . 53 . HG* 1 1 108 1 2 1 1 25 THR MG . 53 . HG* 1 1 109 1 1 1 1 23 LEU QD . 51 . HD* 1 1 109 1 2 1 1 24 ARG H . 52 . HN 1 1 110 1 1 1 1 24 ARG HA . 52 . HA 1 1 110 1 2 1 1 25 THR H . 53 . HN 1 1 111 1 1 1 1 23 LEU H . 51 . HN 1 1 111 1 2 1 1 25 THR H . 53 . HN 1 1 112 1 1 1 1 25 THR H . 53 . HN 1 1 112 1 2 1 1 26 HIS H . 54 . HN 1 1 113 1 1 1 1 22 HIS HA . 50 . HA 1 1 113 1 2 1 1 25 THR H . 53 . HN 1 1 114 1 1 1 1 23 LEU HA . 51 . HA 1 1 114 1 2 1 1 25 THR H . 53 . HN 1 1 115 1 1 1 1 25 THR H . 53 . HN 1 1 115 1 2 1 1 26 HIS QB . 54 . HB* 1 1 116 1 1 1 1 24 ARG QB . 52 . HB* 1 1 116 1 2 1 1 25 THR H . 53 . HN 1 1 117 1 1 1 1 24 ARG QG . 52 . HG* 1 1 117 1 2 1 1 25 THR H . 53 . HN 1 1 118 1 1 1 1 26 HIS H . 54 . HN 1 1 118 1 2 1 1 27 GLY H . 55 . HN 1 1 119 1 1 1 1 25 THR HA . 53 . HA 1 1 119 1 2 1 1 26 HIS H . 54 . HN 1 1 120 1 1 1 1 23 LEU HA . 51 . HA 1 1 120 1 2 1 1 26 HIS H . 54 . HN 1 1 121 1 1 1 1 25 THR HG1 . 53 . HG* 1 1 121 1 1 1 1 25 THR MG . 53 . HG* 1 1 121 1 2 1 1 26 HIS H . 54 . HN 1 1 122 1 1 1 1 9 CYS HA . 37 . HA 1 1 122 1 2 1 1 26 HIS HE1 . 54 . HE* 1 1 123 1 1 1 1 6 CYS QB . 34 . HB* 1 1 123 1 2 1 1 26 HIS HE1 . 54 . HE* 1 1 124 1 1 1 1 9 CYS QB . 37 . HB* 1 1 124 1 2 1 1 26 HIS HE1 . 54 . HE* 1 1 125 1 1 1 1 8 LEU HG . 36 . HG* 1 1 125 1 2 1 1 26 HIS HE1 . 54 . HE* 1 1 126 1 1 1 1 8 LEU QD . 36 . HD* 1 1 126 1 2 1 1 26 HIS HE1 . 54 . HE* 1 1 127 1 1 1 1 26 HIS HA . 54 . HA 1 1 127 1 2 1 1 27 GLY H . 55 . HN 1 1 128 1 1 1 1 26 HIS QB . 54 . HB* 1 1 128 1 2 1 1 27 GLY H . 55 . HN 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.0 1.8 3.5 1 1 2 1 . . . . . 2.0 1.8 6.0 1 1 3 1 . . . . . 2.0 1.8 5.0 1 1 4 1 . . . . . 2.0 1.8 3.0 1 1 5 1 . . . . . 2.0 1.8 5.0 1 1 6 1 . . . . . 2.0 1.8 6.0 1 1 7 1 . . . . . 2.0 1.8 6.0 1 1 8 1 . . . . . 2.0 1.8 3.0 1 1 9 1 . . . . . 2.0 1.8 6.0 1 1 10 1 . . . . . 2.0 1.8 3.0 1 1 11 1 . . . . . 2.0 1.8 3.5 1 1 12 1 . . . . . 2.0 1.8 5.0 1 1 13 1 . . . . . 2.0 1.8 6.0 1 1 14 1 . . . . . 2.0 1.8 3.5 1 1 15 1 . . . . . 2.0 1.8 4.0 1 1 16 1 . . . . . 2.0 1.8 3.0 1 1 17 1 . . . . . 2.0 1.8 4.0 1 1 18 1 . . . . . 2.0 1.8 7.0 1 1 19 1 . . . . . 2.0 1.8 6.0 1 1 20 1 . . . . . 2.0 1.8 6.0 1 1 21 1 . . . . . 2.0 1.8 7.0 1 1 22 1 . . . . . 2.0 1.8 4.0 1 1 23 1 . . . . . 2.0 1.8 4.0 1 1 24 1 . . . . . 2.0 1.8 5.0 1 1 25 1 . . . . . 2.0 1.8 5.0 1 1 26 1 . . . . . 2.0 1.8 5.0 1 1 27 1 . . . . . 2.0 1.8 5.0 1 1 28 1 . . . . . 2.0 1.8 3.0 1 1 29 1 . . . . . 2.0 1.8 5.0 1 1 30 1 . . . . . 2.0 1.8 5.0 1 1 31 1 . . . . . 2.0 1.8 6.0 1 1 32 1 . . . . . 2.0 1.8 7.0 1 1 33 1 . . . . . 2.0 1.8 6.0 1 1 34 1 . . . . . 2.0 1.8 6.0 1 1 35 1 . . . . . 2.0 1.8 3.0 1 1 36 1 . . . . . 2.0 1.8 3.0 1 1 37 1 . . . . . 2.0 1.8 7.0 1 1 38 1 . . . . . 2.0 1.8 6.0 1 1 39 1 . . . . . 2.0 1.8 6.0 1 1 40 1 . . . . . 2.0 1.8 4.0 1 1 41 1 . . . . . 2.0 1.8 4.0 1 1 42 1 . . . . . 2.0 1.8 5.0 1 1 43 1 . . . . . 2.0 1.8 5.0 1 1 44 1 . . . . . 2.0 1.8 5.0 1 1 45 1 . . . . . 2.0 1.8 4.0 1 1 46 1 . . . . . 2.0 1.8 5.0 1 1 47 1 . . . . . 2.0 1.8 6.0 1 1 48 1 . . . . . 2.0 1.8 7.0 1 1 49 1 . . . . . 2.0 1.8 5.0 1 1 50 1 . . . . . 2.0 1.8 6.0 1 1 51 1 . . . . . 2.0 1.8 5.0 1 1 52 1 . . . . . 2.0 1.8 6.0 1 1 53 1 . . . . . 2.0 1.8 4.0 1 1 54 1 . . . . . 2.0 1.8 4.0 1 1 55 1 . . . . . 2.0 1.8 4.0 1 1 56 1 . . . . . 2.0 1.8 5.0 1 1 57 1 . . . . . 2.0 1.8 6.0 1 1 58 1 . . . . . 2.0 1.8 4.0 1 1 59 1 . . . . . 2.0 1.8 6.0 1 1 60 1 . . . . . 2.0 1.8 6.0 1 1 61 1 . . . . . 2.0 1.8 4.0 1 1 62 1 . . . . . 2.0 1.8 5.0 1 1 63 1 . . . . . 2.0 1.8 6.0 1 1 64 1 . . . . . 2.0 1.8 4.0 1 1 65 1 . . . . . 2.0 1.8 6.0 1 1 66 1 . . . . . 2.0 1.8 4.0 1 1 67 1 . . . . . 2.0 1.8 4.0 1 1 68 1 . . . . . 2.0 1.8 5.0 1 1 69 1 . . . . . 2.0 1.8 6.0 1 1 70 1 . . . . . 2.0 1.8 4.0 1 1 71 1 . . . . . 2.0 1.8 6.0 1 1 72 1 . . . . . 2.0 1.8 6.0 1 1 73 1 . . . . . 2.0 1.8 4.0 1 1 74 1 . . . . . 2.0 1.8 6.0 1 1 75 1 . . . . . 2.0 1.8 6.0 1 1 76 1 . . . . . 2.0 1.8 5.0 1 1 77 1 . . . . . 2.0 1.8 5.0 1 1 78 1 . . . . . 2.0 1.8 5.0 1 1 79 1 . . . . . 2.0 1.8 6.0 1 1 80 1 . . . . . 2.0 1.8 4.0 1 1 81 1 . . . . . 2.0 1.8 4.0 1 1 82 1 . . . . . 2.0 1.8 4.0 1 1 83 1 . . . . . 2.0 1.8 5.0 1 1 84 1 . . . . . 2.0 1.8 4.0 1 1 85 1 . . . . . 2.0 1.8 3.0 1 1 86 1 . . . . . 2.0 1.8 5.0 1 1 87 1 . . . . . 2.0 1.8 4.0 1 1 88 1 . . . . . 2.0 1.8 4.0 1 1 89 1 . . . . . 2.0 1.8 5.0 1 1 90 1 . . . . . 2.0 1.8 5.0 1 1 91 1 . . . . . 2.0 1.8 5.0 1 1 92 1 . . . . . 2.0 1.8 6.0 1 1 93 1 . . . . . 2.0 1.8 6.0 1 1 94 1 . . . . . 2.0 1.8 6.0 1 1 95 1 . . . . . 2.0 1.8 5.0 1 1 96 1 . . . . . 2.0 1.8 6.0 1 1 97 1 . . . . . 2.0 1.8 6.0 1 1 98 1 . . . . . 2.0 1.8 6.0 1 1 99 1 . . . . . 2.0 1.8 4.0 1 1 100 1 . . . . . 2.0 1.8 5.0 1 1 101 1 . . . . . 2.0 1.8 5.0 1 1 102 1 . . . . . 2.0 1.8 5.0 1 1 103 1 . . . . . 2.0 1.8 4.0 1 1 104 1 . . . . . 2.0 1.8 3.5 1 1 105 1 . . . . . 2.0 1.8 5.0 1 1 106 1 . . . . . 2.0 1.8 4.0 1 1 107 1 . . . . . 2.0 1.8 4.0 1 1 108 1 . . . . . 2.0 1.8 6.0 1 1 109 1 . . . . . 2.0 1.8 5.0 1 1 110 1 . . . . . 2.0 1.8 4.0 1 1 111 1 . . . . . 2.0 1.8 5.0 1 1 112 1 . . . . . 2.0 1.8 4.0 1 1 113 1 . . . . . 2.0 1.8 5.0 1 1 114 1 . . . . . 2.0 1.8 5.0 1 1 115 1 . . . . . 2.0 1.8 5.0 1 1 116 1 . . . . . 2.0 1.8 4.0 1 1 117 1 . . . . . 2.0 1.8 5.0 1 1 118 1 . . . . . 2.0 1.8 5.0 1 1 119 1 . . . . . 2.0 1.8 5.0 1 1 120 1 . . . . . 2.0 1.8 5.0 1 1 121 1 . . . . . 2.0 1.8 6.0 1 1 122 1 . . . . . 2.0 1.8 5.0 1 1 123 1 . . . . . 2.0 1.8 6.0 1 1 124 1 . . . . . 2.0 1.8 4.5 1 1 125 1 . . . . . 2.0 1.8 6.0 1 1 126 1 . . . . . 2.0 1.8 6.0 1 1 127 1 . . . . . 2.0 1.8 5.0 1 1 128 1 . . . . . 2.0 1.8 5.0 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "general distance" _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 2 2 1 . . . 1 2 3 1 . . . 1 2 4 1 . . . 1 2 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 6 CYS SG . 34 . SG 1 2 1 1 2 2 2 1 ZN ZN . 84 . ZN 1 2 2 1 1 1 1 9 CYS SG . 37 . SG 1 2 2 1 2 2 2 1 ZN ZN . 84 . ZN 1 2 3 1 1 1 1 22 HIS NE2 . 50 . NE2 1 2 3 1 2 2 2 1 ZN ZN . 84 . ZN 1 2 4 1 1 1 1 26 HIS NE2 . 54 . NE2 1 2 4 1 2 2 2 1 ZN ZN . 84 . ZN 1 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.3 2.25 2.35 1 2 2 1 . . . . . 2.3 2.25 2.35 1 2 3 1 . . . . . 2.0 1.95 2.05 1 2 4 1 . . . . . 2.0 1.95 2.05 1 2 stop_ save_ save_CNS/XPLOR_distance_constraints_3_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 3 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 3 2 1 . . . 1 3 3 1 . . . 1 3 4 1 . . . 1 3 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 6 CYS H . 34 . HN 1 3 1 1 2 1 1 11 GLN O . 39 . O 1 3 2 1 1 1 1 6 CYS N . 34 . N 1 3 2 1 2 1 1 11 GLN O . 39 . O 1 3 3 1 1 1 1 4 PHE O . 32 . O 1 3 3 1 2 1 1 13 SER H . 41 . HN 1 3 4 1 1 1 1 4 PHE O . 32 . O 1 3 4 1 2 1 1 13 SER N . 41 . N 1 3 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 1.8 1.8 2.3 1 3 2 1 . . . . . 2.8 2.8 3.3 1 3 3 1 . . . . . 1.8 1.8 2.3 1 3 4 1 . . . . . 2.8 2.8 3.3 1 3 stop_ save_ save_CNS/XPLOR_dihedral_5_1 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 1 GLU C 1 1 2 LYS N 1 1 2 LYS CA 1 1 2 LYS C -131.3 -44.1 . 29 . C . 30 . N . 30 . CA . 30 . C 1 1 2 . 1 1 2 LYS N 1 1 2 LYS CA 1 1 2 LYS C 1 1 3 PRO N 86.5 184.5 . 30 . N . 30 . CA . 30 . C . 31 . N 1 1 3 . 1 1 4 PHE C 1 1 5 SER N 1 1 5 SER CA 1 1 5 SER C -159.0 -74.0 . 32 . C . 33 . N . 33 . CA . 33 . C 1 1 4 . 1 1 5 SER N 1 1 5 SER CA 1 1 5 SER C 1 1 6 CYS N 100.3 170.3 . 33 . N . 33 . CA . 33 . C . 34 . N 1 1 5 . 1 1 7 SER C 1 1 8 LEU N 1 1 8 LEU CA 1 1 8 LEU C -136.8 -62.199997 . 35 . C . 36 . N . 36 . CA . 36 . C 1 1 6 . 1 1 8 LEU N 1 1 8 LEU CA 1 1 8 LEU C 1 1 9 CYS N 92.1 181.5 . 36 . N . 36 . CA . 36 . C . 37 . N 1 1 7 . 1 1 12 ARG C 1 1 13 SER N 1 1 13 SER CA 1 1 13 SER C -184.1 -53.9 . 40 . C . 41 . N . 41 . CA . 41 . C 1 1 8 . 1 1 13 SER N 1 1 13 SER CA 1 1 13 SER C 1 1 14 ARG N 107.6 193.2 . 41 . N . 41 . CA . 41 . C . 42 . N 1 1 9 . 1 1 16 PHE C 1 1 17 SER N 1 1 17 SER CA 1 1 17 SER C -81.1 -49.7 . 44 . C . 45 . N . 45 . CA . 45 . C 1 1 10 . 1 1 17 SER N 1 1 17 SER CA 1 1 17 SER C 1 1 18 ALA N -60.800003 -18.399998 . 45 . N . 45 . CA . 45 . C . 46 . N 1 1 11 . 1 1 17 SER C 1 1 18 ALA N 1 1 18 ALA CA 1 1 18 ALA C -87.2 -47.0 . 45 . C . 46 . N . 46 . CA . 46 . C 1 1 12 . 1 1 18 ALA N 1 1 18 ALA CA 1 1 18 ALA C 1 1 19 MET N -48.4 -20.4 . 46 . N . 46 . CA . 46 . C . 47 . N 1 1 13 . 1 1 18 ALA C 1 1 19 MET N 1 1 19 MET CA 1 1 19 MET C -82.5 -54.9 . 46 . C . 47 . N . 47 . CA . 47 . C 1 1 14 . 1 1 19 MET N 1 1 19 MET CA 1 1 19 MET C 1 1 20 THR N -55.6 -21.399998 . 47 . N . 47 . CA . 47 . C . 48 . N 1 1 15 . 1 1 19 MET C 1 1 20 THR N 1 1 20 THR CA 1 1 20 THR C -80.1 -53.5 . 47 . C . 48 . N . 48 . CA . 48 . C 1 1 16 . 1 1 20 THR N 1 1 20 THR CA 1 1 20 THR C 1 1 21 LYS N -57.500004 -23.3 . 48 . N . 48 . CA . 48 . C . 49 . N 1 1 17 . 1 1 20 THR C 1 1 21 LYS N 1 1 21 LYS CA 1 1 21 LYS C -72.0 -52.0 . 48 . C . 49 . N . 49 . CA . 49 . C 1 1 18 . 1 1 21 LYS N 1 1 21 LYS CA 1 1 21 LYS C 1 1 22 HIS N -53.999996 -29.2 . 49 . N . 49 . CA . 49 . C . 50 . N 1 1 19 . 1 1 21 LYS C 1 1 22 HIS N 1 1 22 HIS CA 1 1 22 HIS C -79.4 -52.4 . 49 . C . 50 . N . 50 . CA . 50 . C 1 1 20 . 1 1 22 HIS N 1 1 22 HIS CA 1 1 22 HIS C 1 1 23 LEU N -53.1 -15.699999 . 50 . N . 50 . CA . 50 . C . 51 . N 1 1 21 . 1 1 22 HIS C 1 1 23 LEU N 1 1 23 LEU CA 1 1 23 LEU C -73.1 -52.7 . 50 . C . 51 . N . 51 . CA . 51 . C 1 1 22 . 1 1 23 LEU N 1 1 23 LEU CA 1 1 23 LEU C 1 1 24 ARG N -60.800003 -18.6 . 51 . N . 51 . CA . 51 . C . 52 . N 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 GLU C C 3.624 -12.049 7.257 1.00 . A A . 29 GLU C 1 1 1 2 1 1 1 GLU CA C 2.731 -12.710 8.310 1.00 . A A . 29 GLU CA 1 1 1 3 1 1 1 GLU CB C 2.340 -11.678 9.371 1.00 . A A . 29 GLU CB 1 1 1 4 1 1 1 GLU CD C 0.817 -11.299 11.316 1.00 . A A . 29 GLU CD 1 1 1 5 1 1 1 GLU CG C 1.020 -12.093 10.024 1.00 . A A . 29 GLU CG 1 1 1 6 1 1 1 GLU H1 H 3.039 -14.735 8.685 1.00 . A A . 29 GLU H1 1 1 1 7 1 1 1 GLU H2 H 3.428 -13.721 9.992 1.00 . A A . 29 GLU H2 1 1 1 8 1 1 1 GLU H3 H 4.464 -13.815 8.649 1.00 . A A . 29 GLU H3 1 1 1 9 1 1 1 GLU HA H 1.840 -13.094 7.837 1.00 . A A . 29 GLU HA 1 1 1 10 1 1 1 GLU HB2 H 3.114 -11.623 10.123 1.00 . A A . 29 GLU HB2 1 1 1 11 1 1 1 GLU HB3 H 2.220 -10.711 8.906 1.00 . A A . 29 GLU HB3 1 1 1 12 1 1 1 GLU HG2 H 0.204 -11.893 9.345 1.00 . A A . 29 GLU HG2 1 1 1 13 1 1 1 GLU HG3 H 1.048 -13.148 10.253 1.00 . A A . 29 GLU HG3 1 1 1 14 1 1 1 GLU N N 3.472 -13.830 8.958 1.00 . A A . 29 GLU N 1 1 1 15 1 1 1 GLU O O 4.822 -11.937 7.427 1.00 . A A . 29 GLU O 1 1 1 16 1 1 1 GLU OE1 O 1.256 -11.770 12.353 1.00 . A A . 29 GLU OE1 1 1 1 17 1 1 1 GLU OE2 O 0.225 -10.235 11.248 1.00 . A A . 29 GLU OE2 1 1 1 18 1 1 2 LYS C C 3.863 -9.445 5.317 1.00 . A A . 30 LYS C 1 1 1 19 1 1 2 LYS CA C 3.865 -10.961 5.105 1.00 . A A . 30 LYS CA 1 1 1 20 1 1 2 LYS CB C 3.265 -11.287 3.735 1.00 . A A . 30 LYS CB 1 1 1 21 1 1 2 LYS CD C 1.322 -12.326 2.559 1.00 . A A . 30 LYS CD 1 1 1 22 1 1 2 LYS CE C 0.029 -13.121 2.745 1.00 . A A . 30 LYS CE 1 1 1 23 1 1 2 LYS CG C 1.974 -12.085 3.921 1.00 . A A . 30 LYS CG 1 1 1 24 1 1 2 LYS H H 2.082 -11.714 6.052 1.00 . A A . 30 LYS H 1 1 1 25 1 1 2 LYS HA H 4.879 -11.330 5.151 1.00 . A A . 30 LYS HA 1 1 1 26 1 1 2 LYS HB2 H 3.049 -10.368 3.209 1.00 . A A . 30 LYS HB2 1 1 1 27 1 1 2 LYS HB3 H 3.969 -11.873 3.164 1.00 . A A . 30 LYS HB3 1 1 1 28 1 1 2 LYS HD2 H 1.098 -11.376 2.094 1.00 . A A . 30 LYS HD2 1 1 1 29 1 1 2 LYS HD3 H 1.998 -12.884 1.930 1.00 . A A . 30 LYS HD3 1 1 1 30 1 1 2 LYS HE2 H 0.031 -13.973 2.082 1.00 . A A . 30 LYS HE2 1 1 1 31 1 1 2 LYS HE3 H -0.041 -13.461 3.768 1.00 . A A . 30 LYS HE3 1 1 1 32 1 1 2 LYS HG2 H 2.201 -13.033 4.386 1.00 . A A . 30 LYS HG2 1 1 1 33 1 1 2 LYS HG3 H 1.294 -11.529 4.550 1.00 . A A . 30 LYS HG3 1 1 1 34 1 1 2 LYS HZ1 H -1.174 -11.459 3.104 1.00 . A A . 30 LYS HZ1 1 1 1 35 1 1 2 LYS HZ2 H -2.015 -12.804 2.505 1.00 . A A . 30 LYS HZ2 1 1 1 36 1 1 2 LYS HZ3 H -1.043 -11.879 1.463 1.00 . A A . 30 LYS HZ3 1 1 1 37 1 1 2 LYS N N 3.050 -11.612 6.170 1.00 . A A . 30 LYS N 1 1 1 38 1 1 2 LYS NZ N -1.139 -12.250 2.431 1.00 . A A . 30 LYS NZ 1 1 1 39 1 1 2 LYS O O 3.115 -8.924 6.120 1.00 . A A . 30 LYS O 1 1 1 40 1 1 3 PRO C C 3.435 -6.583 4.678 1.00 . A A . 31 PRO C 1 1 1 41 1 1 3 PRO CA C 4.806 -7.264 4.697 1.00 . A A . 31 PRO CA 1 1 1 42 1 1 3 PRO CB C 5.613 -6.873 3.459 1.00 . A A . 31 PRO CB 1 1 1 43 1 1 3 PRO CD C 5.635 -9.300 3.607 1.00 . A A . 31 PRO CD 1 1 1 44 1 1 3 PRO CG C 6.416 -8.082 3.106 1.00 . A A . 31 PRO CG 1 1 1 45 1 1 3 PRO HA H 5.350 -6.986 5.584 1.00 . A A . 31 PRO HA 1 1 1 46 1 1 3 PRO HB2 H 4.947 -6.613 2.647 1.00 . A A . 31 PRO HB2 1 1 1 47 1 1 3 PRO HB3 H 6.270 -6.048 3.685 1.00 . A A . 31 PRO HB3 1 1 1 48 1 1 3 PRO HD2 H 5.099 -9.765 2.792 1.00 . A A . 31 PRO HD2 1 1 1 49 1 1 3 PRO HD3 H 6.300 -10.008 4.078 1.00 . A A . 31 PRO HD3 1 1 1 50 1 1 3 PRO HG2 H 6.545 -8.138 2.033 1.00 . A A . 31 PRO HG2 1 1 1 51 1 1 3 PRO HG3 H 7.377 -8.043 3.593 1.00 . A A . 31 PRO HG3 1 1 1 52 1 1 3 PRO N N 4.699 -8.747 4.597 1.00 . A A . 31 PRO N 1 1 1 53 1 1 3 PRO O O 2.418 -7.204 4.918 1.00 . A A . 31 PRO O 1 1 1 54 1 1 4 PHE C C 1.628 -4.444 2.911 1.00 . A A . 32 PHE C 1 1 1 55 1 1 4 PHE CA C 2.093 -4.592 4.361 1.00 . A A . 32 PHE CA 1 1 1 56 1 1 4 PHE CB C 2.257 -3.208 4.989 1.00 . A A . 32 PHE CB 1 1 1 57 1 1 4 PHE CD1 C 0.584 -3.592 6.834 1.00 . A A . 32 PHE CD1 1 1 1 58 1 1 4 PHE CD2 C 2.864 -3.018 7.428 1.00 . A A . 32 PHE CD2 1 1 1 59 1 1 4 PHE CE1 C 0.246 -3.655 8.191 1.00 . A A . 32 PHE CE1 1 1 1 60 1 1 4 PHE CE2 C 2.526 -3.081 8.785 1.00 . A A . 32 PHE CE2 1 1 1 61 1 1 4 PHE CG C 1.893 -3.274 6.452 1.00 . A A . 32 PHE CG 1 1 1 62 1 1 4 PHE CZ C 1.217 -3.399 9.166 1.00 . A A . 32 PHE CZ 1 1 1 63 1 1 4 PHE H H 4.228 -4.826 4.203 1.00 . A A . 32 PHE H 1 1 1 64 1 1 4 PHE HA H 1.359 -5.155 4.918 1.00 . A A . 32 PHE HA 1 1 1 65 1 1 4 PHE HB2 H 3.283 -2.885 4.886 1.00 . A A . 32 PHE HB2 1 1 1 66 1 1 4 PHE HB3 H 1.607 -2.506 4.488 1.00 . A A . 32 PHE HB3 1 1 1 67 1 1 4 PHE HD1 H -0.165 -3.790 6.081 1.00 . A A . 32 PHE HD1 1 1 1 68 1 1 4 PHE HD2 H 3.874 -2.773 7.133 1.00 . A A . 32 PHE HD2 1 1 1 69 1 1 4 PHE HE1 H -0.764 -3.900 8.485 1.00 . A A . 32 PHE HE1 1 1 1 70 1 1 4 PHE HE2 H 3.275 -2.883 9.537 1.00 . A A . 32 PHE HE2 1 1 1 71 1 1 4 PHE HZ H 0.956 -3.447 10.213 1.00 . A A . 32 PHE HZ 1 1 1 72 1 1 4 PHE N N 3.398 -5.310 4.394 1.00 . A A . 32 PHE N 1 1 1 73 1 1 4 PHE O O 2.105 -3.600 2.179 1.00 . A A . 32 PHE O 1 1 1 74 1 1 5 SER C C -1.079 -4.326 1.059 1.00 . A A . 33 SER C 1 1 1 75 1 1 5 SER CA C 0.203 -5.161 1.090 1.00 . A A . 33 SER CA 1 1 1 76 1 1 5 SER CB C -0.087 -6.563 0.552 1.00 . A A . 33 SER CB 1 1 1 77 1 1 5 SER H H 0.326 -5.932 3.097 1.00 . A A . 33 SER H 1 1 1 78 1 1 5 SER HA H 0.954 -4.689 0.475 1.00 . A A . 33 SER HA 1 1 1 79 1 1 5 SER HB2 H -0.927 -6.526 -0.122 1.00 . A A . 33 SER HB2 1 1 1 80 1 1 5 SER HB3 H 0.781 -6.930 0.021 1.00 . A A . 33 SER HB3 1 1 1 81 1 1 5 SER HG H -0.883 -8.179 1.289 1.00 . A A . 33 SER HG 1 1 1 82 1 1 5 SER N N 0.698 -5.258 2.491 1.00 . A A . 33 SER N 1 1 1 83 1 1 5 SER O O -1.666 -4.035 2.082 1.00 . A A . 33 SER O 1 1 1 84 1 1 5 SER OG O -0.396 -7.428 1.637 1.00 . A A . 33 SER OG 1 1 1 85 1 1 6 CYS C C -3.983 -4.036 -0.164 1.00 . A A . 34 CYS C 1 1 1 86 1 1 6 CYS CA C -2.759 -3.119 -0.202 1.00 . A A . 34 CYS CA 1 1 1 87 1 1 6 CYS CB C -2.751 -2.333 -1.514 1.00 . A A . 34 CYS CB 1 1 1 88 1 1 6 CYS H H -1.027 -4.181 -0.921 1.00 . A A . 34 CYS H 1 1 1 89 1 1 6 CYS HA H -2.800 -2.430 0.629 1.00 . A A . 34 CYS HA 1 1 1 90 1 1 6 CYS HB2 H -1.845 -1.748 -1.578 1.00 . A A . 34 CYS HB2 1 1 1 91 1 1 6 CYS HB3 H -2.795 -3.020 -2.346 1.00 . A A . 34 CYS HB3 1 1 1 92 1 1 6 CYS N N -1.517 -3.937 -0.107 1.00 . A A . 34 CYS N 1 1 1 93 1 1 6 CYS O O -3.868 -5.236 -0.011 1.00 . A A . 34 CYS O 1 1 1 94 1 1 6 CYS SG S -4.185 -1.230 -1.565 1.00 . A A . 34 CYS SG 1 1 1 95 1 1 7 SER C C -6.737 -4.765 -1.693 1.00 . A A . 35 SER C 1 1 1 96 1 1 7 SER CA C -6.389 -4.319 -0.272 1.00 . A A . 35 SER CA 1 1 1 97 1 1 7 SER CB C -7.547 -3.504 0.305 1.00 . A A . 35 SER CB 1 1 1 98 1 1 7 SER H H -5.228 -2.511 -0.422 1.00 . A A . 35 SER H 1 1 1 99 1 1 7 SER HA H -6.217 -5.188 0.346 1.00 . A A . 35 SER HA 1 1 1 100 1 1 7 SER HB2 H -7.695 -2.616 -0.286 1.00 . A A . 35 SER HB2 1 1 1 101 1 1 7 SER HB3 H -8.450 -4.101 0.286 1.00 . A A . 35 SER HB3 1 1 1 102 1 1 7 SER HG H -7.625 -3.785 2.228 1.00 . A A . 35 SER HG 1 1 1 103 1 1 7 SER N N -5.157 -3.480 -0.301 1.00 . A A . 35 SER N 1 1 1 104 1 1 7 SER O O -6.715 -5.939 -2.008 1.00 . A A . 35 SER O 1 1 1 105 1 1 7 SER OG O -7.239 -3.131 1.641 1.00 . A A . 35 SER OG 1 1 1 106 1 1 8 LEU C C -6.308 -3.735 -4.901 1.00 . A A . 36 LEU C 1 1 1 107 1 1 8 LEU CA C -7.408 -4.217 -3.954 1.00 . A A . 36 LEU CA 1 1 1 108 1 1 8 LEU CB C -8.736 -3.563 -4.343 1.00 . A A . 36 LEU CB 1 1 1 109 1 1 8 LEU CD1 C -10.712 -3.712 -5.864 1.00 . A A . 36 LEU CD1 1 1 1 110 1 1 8 LEU CD2 C -8.489 -4.562 -6.618 1.00 . A A . 36 LEU CD2 1 1 1 111 1 1 8 LEU CG C -9.425 -4.406 -5.418 1.00 . A A . 36 LEU CG 1 1 1 112 1 1 8 LEU H H -7.072 -2.898 -2.284 1.00 . A A . 36 LEU H 1 1 1 113 1 1 8 LEU HA H -7.501 -5.291 -4.026 1.00 . A A . 36 LEU HA 1 1 1 114 1 1 8 LEU HB2 H -9.373 -3.498 -3.472 1.00 . A A . 36 LEU HB2 1 1 1 115 1 1 8 LEU HB3 H -8.551 -2.573 -4.729 1.00 . A A . 36 LEU HB3 1 1 1 116 1 1 8 LEU HD11 H -10.664 -2.664 -5.609 1.00 . A A . 36 LEU HD11 1 1 1 117 1 1 8 LEU HD12 H -11.557 -4.165 -5.367 1.00 . A A . 36 LEU HD12 1 1 1 118 1 1 8 LEU HD13 H -10.825 -3.817 -6.933 1.00 . A A . 36 LEU HD13 1 1 1 119 1 1 8 LEU HD21 H -8.129 -3.590 -6.923 1.00 . A A . 36 LEU HD21 1 1 1 120 1 1 8 LEU HD22 H -9.026 -5.020 -7.436 1.00 . A A . 36 LEU HD22 1 1 1 121 1 1 8 LEU HD23 H -7.651 -5.186 -6.343 1.00 . A A . 36 LEU HD23 1 1 1 122 1 1 8 LEU HG H -9.662 -5.380 -5.014 1.00 . A A . 36 LEU HG 1 1 1 123 1 1 8 LEU N N -7.060 -3.840 -2.556 1.00 . A A . 36 LEU N 1 1 1 124 1 1 8 LEU O O -6.344 -2.626 -5.394 1.00 . A A . 36 LEU O 1 1 1 125 1 1 9 CYS C C -2.948 -4.913 -5.667 1.00 . A A . 37 CYS C 1 1 1 126 1 1 9 CYS CA C -4.223 -4.172 -6.076 1.00 . A A . 37 CYS CA 1 1 1 127 1 1 9 CYS CB C -3.978 -2.663 -5.984 1.00 . A A . 37 CYS CB 1 1 1 128 1 1 9 CYS H H -5.333 -5.456 -4.750 1.00 . A A . 37 CYS H 1 1 1 129 1 1 9 CYS HA H -4.486 -4.433 -7.090 1.00 . A A . 37 CYS HA 1 1 1 130 1 1 9 CYS HB2 H -2.977 -2.442 -6.324 1.00 . A A . 37 CYS HB2 1 1 1 131 1 1 9 CYS HB3 H -4.690 -2.142 -6.606 1.00 . A A . 37 CYS HB3 1 1 1 132 1 1 9 CYS N N -5.334 -4.566 -5.160 1.00 . A A . 37 CYS N 1 1 1 133 1 1 9 CYS O O -2.568 -4.912 -4.513 1.00 . A A . 37 CYS O 1 1 1 134 1 1 9 CYS SG S -4.163 -2.122 -4.267 1.00 . A A . 37 CYS SG 1 1 1 135 1 1 10 PRO C C 0.156 -5.369 -6.082 1.00 . A A . 38 PRO C 1 1 1 136 1 1 10 PRO CA C -1.035 -6.297 -6.338 1.00 . A A . 38 PRO CA 1 1 1 137 1 1 10 PRO CB C -0.816 -7.107 -7.617 1.00 . A A . 38 PRO CB 1 1 1 138 1 1 10 PRO CD C -2.672 -5.596 -8.026 1.00 . A A . 38 PRO CD 1 1 1 139 1 1 10 PRO CG C -1.521 -6.349 -8.694 1.00 . A A . 38 PRO CG 1 1 1 140 1 1 10 PRO HA H -1.172 -6.968 -5.506 1.00 . A A . 38 PRO HA 1 1 1 141 1 1 10 PRO HB2 H 0.240 -7.180 -7.836 1.00 . A A . 38 PRO HB2 1 1 1 142 1 1 10 PRO HB3 H -1.248 -8.091 -7.516 1.00 . A A . 38 PRO HB3 1 1 1 143 1 1 10 PRO HD2 H -2.760 -4.599 -8.437 1.00 . A A . 38 PRO HD2 1 1 1 144 1 1 10 PRO HD3 H -3.598 -6.138 -8.141 1.00 . A A . 38 PRO HD3 1 1 1 145 1 1 10 PRO HG2 H -0.838 -5.651 -9.160 1.00 . A A . 38 PRO HG2 1 1 1 146 1 1 10 PRO HG3 H -1.914 -7.032 -9.431 1.00 . A A . 38 PRO HG3 1 1 1 147 1 1 10 PRO N N -2.290 -5.540 -6.606 1.00 . A A . 38 PRO N 1 1 1 148 1 1 10 PRO O O 1.064 -5.272 -6.884 1.00 . A A . 38 PRO O 1 1 1 149 1 1 11 GLN C C 1.569 -3.771 -3.162 1.00 . A A . 39 GLN C 1 1 1 150 1 1 11 GLN CA C 1.290 -3.762 -4.666 1.00 . A A . 39 GLN CA 1 1 1 151 1 1 11 GLN CB C 0.923 -2.344 -5.109 1.00 . A A . 39 GLN CB 1 1 1 152 1 1 11 GLN CD C -0.544 -0.406 -4.526 1.00 . A A . 39 GLN CD 1 1 1 153 1 1 11 GLN CG C 0.193 -1.627 -3.972 1.00 . A A . 39 GLN CG 1 1 1 154 1 1 11 GLN H H -0.583 -4.775 -4.337 1.00 . A A . 39 GLN H 1 1 1 155 1 1 11 GLN HA H 2.172 -4.088 -5.198 1.00 . A A . 39 GLN HA 1 1 1 156 1 1 11 GLN HB2 H 1.823 -1.801 -5.360 1.00 . A A . 39 GLN HB2 1 1 1 157 1 1 11 GLN HB3 H 0.279 -2.392 -5.974 1.00 . A A . 39 GLN HB3 1 1 1 158 1 1 11 GLN HE21 H -2.262 -1.374 -4.761 1.00 . A A . 39 GLN HE21 1 1 1 159 1 1 11 GLN HE22 H -2.281 0.260 -5.219 1.00 . A A . 39 GLN HE22 1 1 1 160 1 1 11 GLN HG2 H -0.518 -2.303 -3.518 1.00 . A A . 39 GLN HG2 1 1 1 161 1 1 11 GLN HG3 H 0.908 -1.306 -3.230 1.00 . A A . 39 GLN HG3 1 1 1 162 1 1 11 GLN N N 0.159 -4.684 -4.970 1.00 . A A . 39 GLN N 1 1 1 163 1 1 11 GLN NE2 N -1.800 -0.516 -4.863 1.00 . A A . 39 GLN NE2 1 1 1 164 1 1 11 GLN O O 0.766 -4.231 -2.374 1.00 . A A . 39 GLN O 1 1 1 165 1 1 11 GLN OE1 O 0.029 0.657 -4.654 1.00 . A A . 39 GLN OE1 1 1 1 166 1 1 12 ARG C C 3.762 -1.936 -0.969 1.00 . A A . 40 ARG C 1 1 1 167 1 1 12 ARG CA C 3.030 -3.237 -1.303 1.00 . A A . 40 ARG CA 1 1 1 168 1 1 12 ARG CB C 3.927 -4.428 -0.960 1.00 . A A . 40 ARG CB 1 1 1 169 1 1 12 ARG CD C 4.353 -6.852 -1.390 1.00 . A A . 40 ARG CD 1 1 1 170 1 1 12 ARG CG C 3.520 -5.637 -1.804 1.00 . A A . 40 ARG CG 1 1 1 171 1 1 12 ARG CZ C 4.887 -9.032 -2.301 1.00 . A A . 40 ARG CZ 1 1 1 172 1 1 12 ARG H H 3.333 -2.893 -3.408 1.00 . A A . 40 ARG H 1 1 1 173 1 1 12 ARG HA H 2.118 -3.295 -0.727 1.00 . A A . 40 ARG HA 1 1 1 174 1 1 12 ARG HB2 H 4.957 -4.174 -1.167 1.00 . A A . 40 ARG HB2 1 1 1 175 1 1 12 ARG HB3 H 3.819 -4.670 0.086 1.00 . A A . 40 ARG HB3 1 1 1 176 1 1 12 ARG HD2 H 5.395 -6.574 -1.343 1.00 . A A . 40 ARG HD2 1 1 1 177 1 1 12 ARG HD3 H 4.028 -7.196 -0.419 1.00 . A A . 40 ARG HD3 1 1 1 178 1 1 12 ARG HE H 3.520 -7.842 -3.112 1.00 . A A . 40 ARG HE 1 1 1 179 1 1 12 ARG HG2 H 2.472 -5.848 -1.649 1.00 . A A . 40 ARG HG2 1 1 1 180 1 1 12 ARG HG3 H 3.694 -5.423 -2.848 1.00 . A A . 40 ARG HG3 1 1 1 181 1 1 12 ARG HH11 H 5.877 -8.433 -0.667 1.00 . A A . 40 ARG HH11 1 1 1 182 1 1 12 ARG HH12 H 6.304 -10.000 -1.270 1.00 . A A . 40 ARG HH12 1 1 1 183 1 1 12 ARG HH21 H 4.063 -9.885 -3.914 1.00 . A A . 40 ARG HH21 1 1 1 184 1 1 12 ARG HH22 H 5.276 -10.822 -3.108 1.00 . A A . 40 ARG HH22 1 1 1 185 1 1 12 ARG N N 2.701 -3.261 -2.756 1.00 . A A . 40 ARG N 1 1 1 186 1 1 12 ARG NE N 4.173 -7.943 -2.389 1.00 . A A . 40 ARG NE 1 1 1 187 1 1 12 ARG NH1 N 5.757 -9.166 -1.337 1.00 . A A . 40 ARG NH1 1 1 1 188 1 1 12 ARG NH2 N 4.730 -9.988 -3.176 1.00 . A A . 40 ARG NH2 1 1 1 189 1 1 12 ARG O O 4.407 -1.342 -1.809 1.00 . A A . 40 ARG O 1 1 1 190 1 1 13 SER C C 5.257 -0.490 1.852 1.00 . A A . 41 SER C 1 1 1 191 1 1 13 SER CA C 4.359 -0.228 0.642 1.00 . A A . 41 SER CA 1 1 1 192 1 1 13 SER CB C 3.319 0.834 1.000 1.00 . A A . 41 SER CB 1 1 1 193 1 1 13 SER H H 3.142 -1.984 0.917 1.00 . A A . 41 SER H 1 1 1 194 1 1 13 SER HA H 4.961 0.122 -0.184 1.00 . A A . 41 SER HA 1 1 1 195 1 1 13 SER HB2 H 3.814 1.714 1.377 1.00 . A A . 41 SER HB2 1 1 1 196 1 1 13 SER HB3 H 2.752 1.094 0.115 1.00 . A A . 41 SER HB3 1 1 1 197 1 1 13 SER HG H 2.248 -0.591 1.780 1.00 . A A . 41 SER HG 1 1 1 198 1 1 13 SER N N 3.668 -1.489 0.254 1.00 . A A . 41 SER N 1 1 1 199 1 1 13 SER O O 5.059 -1.435 2.591 1.00 . A A . 41 SER O 1 1 1 200 1 1 13 SER OG O 2.450 0.321 2.002 1.00 . A A . 41 SER OG 1 1 1 201 1 1 14 ARG C C 6.697 1.010 4.393 1.00 . A A . 42 ARG C 1 1 1 202 1 1 14 ARG CA C 7.154 0.134 3.225 1.00 . A A . 42 ARG CA 1 1 1 203 1 1 14 ARG CB C 8.582 0.516 2.830 1.00 . A A . 42 ARG CB 1 1 1 204 1 1 14 ARG CD C 10.442 0.000 1.243 1.00 . A A . 42 ARG CD 1 1 1 205 1 1 14 ARG CG C 8.941 -0.148 1.499 1.00 . A A . 42 ARG CG 1 1 1 206 1 1 14 ARG CZ C 12.097 -1.454 0.235 1.00 . A A . 42 ARG CZ 1 1 1 207 1 1 14 ARG H H 6.388 1.093 1.455 1.00 . A A . 42 ARG H 1 1 1 208 1 1 14 ARG HA H 7.130 -0.904 3.524 1.00 . A A . 42 ARG HA 1 1 1 209 1 1 14 ARG HB2 H 8.652 1.590 2.728 1.00 . A A . 42 ARG HB2 1 1 1 210 1 1 14 ARG HB3 H 9.269 0.182 3.593 1.00 . A A . 42 ARG HB3 1 1 1 211 1 1 14 ARG HD2 H 10.648 0.995 0.878 1.00 . A A . 42 ARG HD2 1 1 1 212 1 1 14 ARG HD3 H 10.982 -0.166 2.163 1.00 . A A . 42 ARG HD3 1 1 1 213 1 1 14 ARG HE H 10.237 -1.318 -0.449 1.00 . A A . 42 ARG HE 1 1 1 214 1 1 14 ARG HG2 H 8.683 -1.196 1.540 1.00 . A A . 42 ARG HG2 1 1 1 215 1 1 14 ARG HG3 H 8.393 0.328 0.700 1.00 . A A . 42 ARG HG3 1 1 1 216 1 1 14 ARG HH11 H 12.654 -0.359 1.815 1.00 . A A . 42 ARG HH11 1 1 1 217 1 1 14 ARG HH12 H 13.881 -1.379 1.140 1.00 . A A . 42 ARG HH12 1 1 1 218 1 1 14 ARG HH21 H 11.826 -2.656 -1.344 1.00 . A A . 42 ARG HH21 1 1 1 219 1 1 14 ARG HH22 H 13.412 -2.678 -0.648 1.00 . A A . 42 ARG HH22 1 1 1 220 1 1 14 ARG N N 6.244 0.338 2.062 1.00 . A A . 42 ARG N 1 1 1 221 1 1 14 ARG NE N 10.873 -1.001 0.226 1.00 . A A . 42 ARG NE 1 1 1 222 1 1 14 ARG NH1 N 12.943 -1.031 1.133 1.00 . A A . 42 ARG NH1 1 1 1 223 1 1 14 ARG NH2 N 12.474 -2.331 -0.655 1.00 . A A . 42 ARG NH2 1 1 1 224 1 1 14 ARG O O 6.994 0.739 5.539 1.00 . A A . 42 ARG O 1 1 1 225 1 1 15 ASP C C 4.120 3.507 4.853 1.00 . A A . 43 ASP C 1 1 1 226 1 1 15 ASP CA C 5.502 2.954 5.208 1.00 . A A . 43 ASP CA 1 1 1 227 1 1 15 ASP CB C 6.487 4.113 5.383 1.00 . A A . 43 ASP CB 1 1 1 228 1 1 15 ASP CG C 7.028 4.113 6.814 1.00 . A A . 43 ASP CG 1 1 1 229 1 1 15 ASP H H 5.747 2.264 3.181 1.00 . A A . 43 ASP H 1 1 1 230 1 1 15 ASP HA H 5.439 2.392 6.128 1.00 . A A . 43 ASP HA 1 1 1 231 1 1 15 ASP HB2 H 7.305 3.997 4.687 1.00 . A A . 43 ASP HB2 1 1 1 232 1 1 15 ASP HB3 H 5.981 5.048 5.192 1.00 . A A . 43 ASP HB3 1 1 1 233 1 1 15 ASP N N 5.976 2.061 4.112 1.00 . A A . 43 ASP N 1 1 1 234 1 1 15 ASP O O 3.850 3.849 3.719 1.00 . A A . 43 ASP O 1 1 1 235 1 1 15 ASP OD1 O 6.231 3.980 7.728 1.00 . A A . 43 ASP OD1 1 1 1 236 1 1 15 ASP OD2 O 8.231 4.246 6.971 1.00 . A A . 43 ASP OD2 1 1 1 237 1 1 16 PHE C C 1.997 5.420 4.716 1.00 . A A . 44 PHE C 1 1 1 238 1 1 16 PHE CA C 1.880 4.130 5.530 1.00 . A A . 44 PHE CA 1 1 1 239 1 1 16 PHE CB C 1.159 4.422 6.848 1.00 . A A . 44 PHE CB 1 1 1 240 1 1 16 PHE CD1 C -0.826 2.992 6.237 1.00 . A A . 44 PHE CD1 1 1 1 241 1 1 16 PHE CD2 C -1.208 5.287 6.919 1.00 . A A . 44 PHE CD2 1 1 1 242 1 1 16 PHE CE1 C -2.204 2.813 6.066 1.00 . A A . 44 PHE CE1 1 1 1 243 1 1 16 PHE CE2 C -2.586 5.109 6.747 1.00 . A A . 44 PHE CE2 1 1 1 244 1 1 16 PHE CG C -0.328 4.229 6.663 1.00 . A A . 44 PHE CG 1 1 1 245 1 1 16 PHE CZ C -3.084 3.872 6.321 1.00 . A A . 44 PHE CZ 1 1 1 246 1 1 16 PHE H H 3.479 3.318 6.723 1.00 . A A . 44 PHE H 1 1 1 247 1 1 16 PHE HA H 1.319 3.399 4.967 1.00 . A A . 44 PHE HA 1 1 1 248 1 1 16 PHE HB2 H 1.517 3.746 7.611 1.00 . A A . 44 PHE HB2 1 1 1 249 1 1 16 PHE HB3 H 1.354 5.440 7.148 1.00 . A A . 44 PHE HB3 1 1 1 250 1 1 16 PHE HD1 H -0.148 2.175 6.040 1.00 . A A . 44 PHE HD1 1 1 1 251 1 1 16 PHE HD2 H -0.825 6.242 7.247 1.00 . A A . 44 PHE HD2 1 1 1 252 1 1 16 PHE HE1 H -2.588 1.859 5.737 1.00 . A A . 44 PHE HE1 1 1 1 253 1 1 16 PHE HE2 H -3.265 5.925 6.945 1.00 . A A . 44 PHE HE2 1 1 1 254 1 1 16 PHE HZ H -4.147 3.734 6.189 1.00 . A A . 44 PHE HZ 1 1 1 255 1 1 16 PHE N N 3.242 3.599 5.815 1.00 . A A . 44 PHE N 1 1 1 256 1 1 16 PHE O O 1.161 5.722 3.888 1.00 . A A . 44 PHE O 1 1 1 257 1 1 17 SER C C 3.049 7.174 2.686 1.00 . A A . 45 SER C 1 1 1 258 1 1 17 SER CA C 3.203 7.453 4.182 1.00 . A A . 45 SER CA 1 1 1 259 1 1 17 SER CB C 4.594 8.026 4.454 1.00 . A A . 45 SER CB 1 1 1 260 1 1 17 SER H H 3.695 5.922 5.616 1.00 . A A . 45 SER H 1 1 1 261 1 1 17 SER HA H 2.453 8.165 4.495 1.00 . A A . 45 SER HA 1 1 1 262 1 1 17 SER HB2 H 4.504 9.003 4.897 1.00 . A A . 45 SER HB2 1 1 1 263 1 1 17 SER HB3 H 5.125 7.372 5.135 1.00 . A A . 45 SER HB3 1 1 1 264 1 1 17 SER HG H 5.201 9.028 2.901 1.00 . A A . 45 SER HG 1 1 1 265 1 1 17 SER N N 3.031 6.184 4.944 1.00 . A A . 45 SER N 1 1 1 266 1 1 17 SER O O 2.261 7.799 2.006 1.00 . A A . 45 SER O 1 1 1 267 1 1 17 SER OG O 5.306 8.132 3.228 1.00 . A A . 45 SER OG 1 1 1 268 1 1 18 ALA C C 2.391 5.149 0.462 1.00 . A A . 46 ALA C 1 1 1 269 1 1 18 ALA CA C 3.688 5.918 0.717 1.00 . A A . 46 ALA CA 1 1 1 270 1 1 18 ALA CB C 4.882 5.061 0.292 1.00 . A A . 46 ALA CB 1 1 1 271 1 1 18 ALA H H 4.425 5.742 2.733 1.00 . A A . 46 ALA H 1 1 1 272 1 1 18 ALA HA H 3.681 6.835 0.145 1.00 . A A . 46 ALA HA 1 1 1 273 1 1 18 ALA HB1 H 5.601 5.023 1.097 1.00 . A A . 46 ALA HB1 1 1 1 274 1 1 18 ALA HB2 H 5.344 5.496 -0.582 1.00 . A A . 46 ALA HB2 1 1 1 275 1 1 18 ALA HB3 H 4.545 4.062 0.062 1.00 . A A . 46 ALA HB3 1 1 1 276 1 1 18 ALA N N 3.795 6.237 2.168 1.00 . A A . 46 ALA N 1 1 1 277 1 1 18 ALA O O 1.727 5.345 -0.537 1.00 . A A . 46 ALA O 1 1 1 278 1 1 19 MET C C -0.414 4.464 1.048 1.00 . A A . 47 MET C 1 1 1 279 1 1 19 MET CA C 0.766 3.498 1.169 1.00 . A A . 47 MET CA 1 1 1 280 1 1 19 MET CB C 0.547 2.578 2.372 1.00 . A A . 47 MET CB 1 1 1 281 1 1 19 MET CE C -2.066 -0.593 2.641 1.00 . A A . 47 MET CE 1 1 1 282 1 1 19 MET CG C -0.377 1.426 1.973 1.00 . A A . 47 MET CG 1 1 1 283 1 1 19 MET H H 2.570 4.134 2.159 1.00 . A A . 47 MET H 1 1 1 284 1 1 19 MET HA H 0.841 2.905 0.270 1.00 . A A . 47 MET HA 1 1 1 285 1 1 19 MET HB2 H 1.497 2.182 2.700 1.00 . A A . 47 MET HB2 1 1 1 286 1 1 19 MET HB3 H 0.093 3.138 3.176 1.00 . A A . 47 MET HB3 1 1 1 287 1 1 19 MET HE1 H -3.013 -0.592 3.162 1.00 . A A . 47 MET HE1 1 1 1 288 1 1 19 MET HE2 H -1.643 -1.588 2.652 1.00 . A A . 47 MET HE2 1 1 1 289 1 1 19 MET HE3 H -2.219 -0.282 1.620 1.00 . A A . 47 MET HE3 1 1 1 290 1 1 19 MET HG2 H -1.235 1.818 1.447 1.00 . A A . 47 MET HG2 1 1 1 291 1 1 19 MET HG3 H 0.158 0.742 1.330 1.00 . A A . 47 MET HG3 1 1 1 292 1 1 19 MET N N 2.022 4.276 1.360 1.00 . A A . 47 MET N 1 1 1 293 1 1 19 MET O O -1.387 4.189 0.374 1.00 . A A . 47 MET O 1 1 1 294 1 1 19 MET SD S -0.928 0.552 3.459 1.00 . A A . 47 MET SD 1 1 1 295 1 1 20 THR C C -1.544 7.133 0.195 1.00 . A A . 48 THR C 1 1 1 296 1 1 20 THR CA C -1.453 6.577 1.617 1.00 . A A . 48 THR CA 1 1 1 297 1 1 20 THR CB C -1.198 7.724 2.593 1.00 . A A . 48 THR CB 1 1 1 298 1 1 20 THR CG2 C -1.420 7.239 4.027 1.00 . A A . 48 THR CG2 1 1 1 299 1 1 20 THR H H 0.458 5.797 2.233 1.00 . A A . 48 THR H 1 1 1 300 1 1 20 THR HA H -2.381 6.087 1.872 1.00 . A A . 48 THR HA 1 1 1 301 1 1 20 THR HB H -1.880 8.531 2.380 1.00 . A A . 48 THR HB 1 1 1 302 1 1 20 THR HG1 H 0.115 9.129 2.301 1.00 . A A . 48 THR HG1 1 1 1 303 1 1 20 THR HG21 H -0.683 7.686 4.677 1.00 . A A . 48 THR HG21 1 1 1 304 1 1 20 THR HG22 H -1.326 6.164 4.062 1.00 . A A . 48 THR HG22 1 1 1 305 1 1 20 THR HG23 H -2.409 7.524 4.354 1.00 . A A . 48 THR HG23 1 1 1 306 1 1 20 THR N N -0.335 5.595 1.695 1.00 . A A . 48 THR N 1 1 1 307 1 1 20 THR O O -2.586 7.098 -0.428 1.00 . A A . 48 THR O 1 1 1 308 1 1 20 THR OG1 O 0.139 8.181 2.446 1.00 . A A . 48 THR OG1 1 1 1 309 1 1 21 LYS C C -1.091 7.125 -2.631 1.00 . A A . 49 LYS C 1 1 1 310 1 1 21 LYS CA C -0.500 8.187 -1.712 1.00 . A A . 49 LYS CA 1 1 1 311 1 1 21 LYS CB C 0.917 8.524 -2.176 1.00 . A A . 49 LYS CB 1 1 1 312 1 1 21 LYS CD C 2.828 10.104 -1.864 1.00 . A A . 49 LYS CD 1 1 1 313 1 1 21 LYS CE C 2.650 11.550 -2.333 1.00 . A A . 49 LYS CE 1 1 1 314 1 1 21 LYS CG C 1.515 9.596 -1.264 1.00 . A A . 49 LYS CG 1 1 1 315 1 1 21 LYS H H 0.373 7.656 0.184 1.00 . A A . 49 LYS H 1 1 1 316 1 1 21 LYS HA H -1.115 9.075 -1.737 1.00 . A A . 49 LYS HA 1 1 1 317 1 1 21 LYS HB2 H 1.528 7.634 -2.137 1.00 . A A . 49 LYS HB2 1 1 1 318 1 1 21 LYS HB3 H 0.884 8.894 -3.190 1.00 . A A . 49 LYS HB3 1 1 1 319 1 1 21 LYS HD2 H 3.606 10.060 -1.117 1.00 . A A . 49 LYS HD2 1 1 1 320 1 1 21 LYS HD3 H 3.101 9.486 -2.706 1.00 . A A . 49 LYS HD3 1 1 1 321 1 1 21 LYS HE2 H 3.454 11.811 -3.006 1.00 . A A . 49 LYS HE2 1 1 1 322 1 1 21 LYS HE3 H 1.705 11.648 -2.846 1.00 . A A . 49 LYS HE3 1 1 1 323 1 1 21 LYS HG2 H 0.819 10.418 -1.170 1.00 . A A . 49 LYS HG2 1 1 1 324 1 1 21 LYS HG3 H 1.708 9.174 -0.289 1.00 . A A . 49 LYS HG3 1 1 1 325 1 1 21 LYS HZ1 H 1.698 12.666 -0.855 1.00 . A A . 49 LYS HZ1 1 1 1 326 1 1 21 LYS HZ2 H 3.148 13.348 -1.411 1.00 . A A . 49 LYS HZ2 1 1 1 327 1 1 21 LYS HZ3 H 3.187 12.004 -0.373 1.00 . A A . 49 LYS HZ3 1 1 1 328 1 1 21 LYS N N -0.462 7.641 -0.328 1.00 . A A . 49 LYS N 1 1 1 329 1 1 21 LYS NZ N 2.673 12.461 -1.154 1.00 . A A . 49 LYS NZ 1 1 1 330 1 1 21 LYS O O -1.884 7.409 -3.506 1.00 . A A . 49 LYS O 1 1 1 331 1 1 22 HIS C C -2.771 4.869 -3.281 1.00 . A A . 50 HIS C 1 1 1 332 1 1 22 HIS CA C -1.242 4.800 -3.272 1.00 . A A . 50 HIS CA 1 1 1 333 1 1 22 HIS CB C -0.789 3.456 -2.694 1.00 . A A . 50 HIS CB 1 1 1 334 1 1 22 HIS CD2 C -2.077 1.178 -2.439 1.00 . A A . 50 HIS CD2 1 1 1 335 1 1 22 HIS CE1 C -3.543 1.475 -4.006 1.00 . A A . 50 HIS CE1 1 1 1 336 1 1 22 HIS CG C -1.820 2.404 -3.000 1.00 . A A . 50 HIS CG 1 1 1 337 1 1 22 HIS H H -0.072 5.697 -1.710 1.00 . A A . 50 HIS H 1 1 1 338 1 1 22 HIS HA H -0.869 4.905 -4.280 1.00 . A A . 50 HIS HA 1 1 1 339 1 1 22 HIS HB2 H 0.156 3.176 -3.135 1.00 . A A . 50 HIS HB2 1 1 1 340 1 1 22 HIS HB3 H -0.674 3.547 -1.624 1.00 . A A . 50 HIS HB3 1 1 1 341 1 1 22 HIS HD1 H -2.849 3.343 -4.593 1.00 . A A . 50 HIS HD1 1 1 1 342 1 1 22 HIS HD2 H -1.519 0.735 -1.627 1.00 . A A . 50 HIS HD2 1 1 1 343 1 1 22 HIS HE1 H -4.376 1.334 -4.674 1.00 . A A . 50 HIS HE1 1 1 1 344 1 1 22 HIS N N -0.710 5.897 -2.427 1.00 . A A . 50 HIS N 1 1 1 345 1 1 22 HIS ND1 N -2.765 2.569 -3.998 1.00 . A A . 50 HIS ND1 1 1 1 346 1 1 22 HIS NE2 N -3.167 0.593 -3.076 1.00 . A A . 50 HIS NE2 1 1 1 347 1 1 22 HIS O O -3.402 4.709 -4.306 1.00 . A A . 50 HIS O 1 1 1 348 1 1 23 LEU C C -5.307 6.473 -2.822 1.00 . A A . 51 LEU C 1 1 1 349 1 1 23 LEU CA C -4.862 5.190 -2.118 1.00 . A A . 51 LEU CA 1 1 1 350 1 1 23 LEU CB C -5.354 5.200 -0.670 1.00 . A A . 51 LEU CB 1 1 1 351 1 1 23 LEU CD1 C -4.781 4.619 1.692 1.00 . A A . 51 LEU CD1 1 1 1 352 1 1 23 LEU CD2 C -4.037 3.135 -0.175 1.00 . A A . 51 LEU CD2 1 1 1 353 1 1 23 LEU CG C -4.291 4.585 0.243 1.00 . A A . 51 LEU CG 1 1 1 354 1 1 23 LEU H H -2.855 5.245 -1.330 1.00 . A A . 51 LEU H 1 1 1 355 1 1 23 LEU HA H -5.277 4.336 -2.635 1.00 . A A . 51 LEU HA 1 1 1 356 1 1 23 LEU HB2 H -5.548 6.216 -0.364 1.00 . A A . 51 LEU HB2 1 1 1 357 1 1 23 LEU HB3 H -6.263 4.621 -0.598 1.00 . A A . 51 LEU HB3 1 1 1 358 1 1 23 LEU HD11 H -5.046 5.632 1.959 1.00 . A A . 51 LEU HD11 1 1 1 359 1 1 23 LEU HD12 H -3.997 4.267 2.346 1.00 . A A . 51 LEU HD12 1 1 1 360 1 1 23 LEU HD13 H -5.648 3.982 1.793 1.00 . A A . 51 LEU HD13 1 1 1 361 1 1 23 LEU HD21 H -3.147 2.769 0.316 1.00 . A A . 51 LEU HD21 1 1 1 362 1 1 23 LEU HD22 H -3.903 3.087 -1.246 1.00 . A A . 51 LEU HD22 1 1 1 363 1 1 23 LEU HD23 H -4.881 2.525 0.109 1.00 . A A . 51 LEU HD23 1 1 1 364 1 1 23 LEU HG H -3.375 5.152 0.162 1.00 . A A . 51 LEU HG 1 1 1 365 1 1 23 LEU N N -3.376 5.111 -2.150 1.00 . A A . 51 LEU N 1 1 1 366 1 1 23 LEU O O -6.225 6.470 -3.617 1.00 . A A . 51 LEU O 1 1 1 367 1 1 24 ARG C C -4.671 8.751 -4.695 1.00 . A A . 52 ARG C 1 1 1 368 1 1 24 ARG CA C -5.034 8.845 -3.213 1.00 . A A . 52 ARG CA 1 1 1 369 1 1 24 ARG CB C -4.272 10.007 -2.572 1.00 . A A . 52 ARG CB 1 1 1 370 1 1 24 ARG CD C -4.398 11.128 -0.343 1.00 . A A . 52 ARG CD 1 1 1 371 1 1 24 ARG CG C -4.188 9.794 -1.060 1.00 . A A . 52 ARG CG 1 1 1 372 1 1 24 ARG CZ C -2.456 12.397 -1.039 1.00 . A A . 52 ARG CZ 1 1 1 373 1 1 24 ARG H H -3.909 7.551 -1.909 1.00 . A A . 52 ARG H 1 1 1 374 1 1 24 ARG HA H -6.097 9.006 -3.109 1.00 . A A . 52 ARG HA 1 1 1 375 1 1 24 ARG HB2 H -3.274 10.054 -2.986 1.00 . A A . 52 ARG HB2 1 1 1 376 1 1 24 ARG HB3 H -4.790 10.932 -2.775 1.00 . A A . 52 ARG HB3 1 1 1 377 1 1 24 ARG HD2 H -5.456 11.329 -0.259 1.00 . A A . 52 ARG HD2 1 1 1 378 1 1 24 ARG HD3 H -3.962 11.080 0.644 1.00 . A A . 52 ARG HD3 1 1 1 379 1 1 24 ARG HE H -4.286 12.802 -1.695 1.00 . A A . 52 ARG HE 1 1 1 380 1 1 24 ARG HG2 H -4.952 9.094 -0.752 1.00 . A A . 52 ARG HG2 1 1 1 381 1 1 24 ARG HG3 H -3.215 9.400 -0.805 1.00 . A A . 52 ARG HG3 1 1 1 382 1 1 24 ARG HH11 H -2.175 10.889 0.247 1.00 . A A . 52 ARG HH11 1 1 1 383 1 1 24 ARG HH12 H -0.748 11.757 -0.213 1.00 . A A . 52 ARG HH12 1 1 1 384 1 1 24 ARG HH21 H -2.435 13.948 -2.305 1.00 . A A . 52 ARG HH21 1 1 1 385 1 1 24 ARG HH22 H -0.896 13.490 -1.657 1.00 . A A . 52 ARG HH22 1 1 1 386 1 1 24 ARG N N -4.654 7.569 -2.546 1.00 . A A . 52 ARG N 1 1 1 387 1 1 24 ARG NE N -3.746 12.219 -1.121 1.00 . A A . 52 ARG NE 1 1 1 388 1 1 24 ARG NH1 N -1.737 11.621 -0.276 1.00 . A A . 52 ARG NH1 1 1 1 389 1 1 24 ARG NH2 N -1.884 13.353 -1.720 1.00 . A A . 52 ARG NH2 1 1 1 390 1 1 24 ARG O O -5.128 9.528 -5.510 1.00 . A A . 52 ARG O 1 1 1 391 1 1 25 THR C C -4.202 6.452 -7.080 1.00 . A A . 53 THR C 1 1 1 392 1 1 25 THR CA C -3.451 7.641 -6.473 1.00 . A A . 53 THR CA 1 1 1 393 1 1 25 THR CB C -1.938 7.397 -6.554 1.00 . A A . 53 THR CB 1 1 1 394 1 1 25 THR CG2 C -1.661 5.900 -6.707 1.00 . A A . 53 THR CG2 1 1 1 395 1 1 25 THR H H -3.496 7.184 -4.371 1.00 . A A . 53 THR H 1 1 1 396 1 1 25 THR HA H -3.700 8.540 -7.018 1.00 . A A . 53 THR HA 1 1 1 397 1 1 25 THR HB H -1.466 7.755 -5.650 1.00 . A A . 53 THR HB 1 1 1 398 1 1 25 THR HG1 H -1.814 7.733 -8.465 1.00 . A A . 53 THR HG1 1 1 1 399 1 1 25 THR HG21 H -1.861 5.598 -7.725 1.00 . A A . 53 THR HG21 1 1 1 400 1 1 25 THR HG22 H -2.297 5.344 -6.036 1.00 . A A . 53 THR HG22 1 1 1 401 1 1 25 THR HG23 H -0.626 5.699 -6.470 1.00 . A A . 53 THR HG23 1 1 1 402 1 1 25 THR N N -3.850 7.799 -5.047 1.00 . A A . 53 THR N 1 1 1 403 1 1 25 THR O O -4.128 6.199 -8.266 1.00 . A A . 53 THR O 1 1 1 404 1 1 25 THR OG1 O -1.410 8.094 -7.673 1.00 . A A . 53 THR OG1 1 1 1 405 1 1 26 HIS C C -6.181 4.861 -8.212 1.00 . A A . 54 HIS C 1 1 1 406 1 1 26 HIS CA C -5.680 4.550 -6.800 1.00 . A A . 54 HIS CA 1 1 1 407 1 1 26 HIS CB C -6.876 4.264 -5.888 1.00 . A A . 54 HIS CB 1 1 1 408 1 1 26 HIS CD2 C -6.790 2.376 -4.061 1.00 . A A . 54 HIS CD2 1 1 1 409 1 1 26 HIS CE1 C -6.589 0.669 -5.381 1.00 . A A . 54 HIS CE1 1 1 1 410 1 1 26 HIS CG C -6.775 2.865 -5.344 1.00 . A A . 54 HIS CG 1 1 1 411 1 1 26 HIS H H -4.969 5.945 -5.320 1.00 . A A . 54 HIS H 1 1 1 412 1 1 26 HIS HA H -5.033 3.686 -6.829 1.00 . A A . 54 HIS HA 1 1 1 413 1 1 26 HIS HB2 H -6.881 4.968 -5.070 1.00 . A A . 54 HIS HB2 1 1 1 414 1 1 26 HIS HB3 H -7.792 4.363 -6.453 1.00 . A A . 54 HIS HB3 1 1 1 415 1 1 26 HIS HD1 H -6.598 1.769 -7.147 1.00 . A A . 54 HIS HD1 1 1 1 416 1 1 26 HIS HD2 H -6.879 2.976 -3.167 1.00 . A A . 54 HIS HD2 1 1 1 417 1 1 26 HIS HE1 H -6.490 -0.341 -5.750 1.00 . A A . 54 HIS HE1 1 1 1 418 1 1 26 HIS N N -4.924 5.722 -6.273 1.00 . A A . 54 HIS N 1 1 1 419 1 1 26 HIS ND1 N -6.645 1.759 -6.169 1.00 . A A . 54 HIS ND1 1 1 1 420 1 1 26 HIS NE2 N -6.673 0.989 -4.087 1.00 . A A . 54 HIS NE2 1 1 1 421 1 1 26 HIS O O -5.647 4.379 -9.191 1.00 . A A . 54 HIS O 1 1 1 422 1 1 27 GLY C C -9.180 6.500 -9.540 1.00 . A A . 55 GLY C 1 1 1 423 1 1 27 GLY CA C -7.738 6.007 -9.672 1.00 . A A . 55 GLY CA 1 1 1 424 1 1 27 GLY H H -7.619 6.043 -7.522 1.00 . A A . 55 GLY H 1 1 1 425 1 1 27 GLY HA2 H -7.129 6.783 -10.114 1.00 . A A . 55 GLY HA2 1 1 1 426 1 1 27 GLY HA3 H -7.717 5.130 -10.301 1.00 . A A . 55 GLY HA3 1 1 1 427 1 1 27 GLY N N -7.203 5.665 -8.324 1.00 . A A . 55 GLY N 1 1 1 428 1 1 27 GLY O O -10.035 5.957 -10.220 1.00 . A A . 55 GLY O 1 1 1 429 1 1 27 GLY OXT O -9.404 7.413 -8.762 1.00 . A A . 55 GLY OXT 1 1 1 430 2 2 1 ZN ZN ZN -5.062 -0.111 -3.442 1.00 . B A . 84 ZN ZN 1 1 2 431 1 1 1 GLU C C 3.238 -13.211 7.236 1.00 . A A . 29 GLU C 1 1 2 432 1 1 1 GLU CA C 4.298 -14.313 7.255 1.00 . A A . 29 GLU CA 1 1 2 433 1 1 1 GLU CB C 5.245 -14.129 6.067 1.00 . A A . 29 GLU CB 1 1 2 434 1 1 1 GLU CD C 7.548 -14.723 5.307 1.00 . A A . 29 GLU CD 1 1 2 435 1 1 1 GLU CG C 6.687 -14.366 6.519 1.00 . A A . 29 GLU CG 1 1 2 436 1 1 1 GLU H1 H 2.649 -15.564 7.482 1.00 . A A . 29 GLU H1 1 1 2 437 1 1 1 GLU H2 H 4.143 -16.329 7.753 1.00 . A A . 29 GLU H2 1 1 2 438 1 1 1 GLU H3 H 3.645 -15.965 6.170 1.00 . A A . 29 GLU H3 1 1 2 439 1 1 1 GLU HA H 4.859 -14.257 8.176 1.00 . A A . 29 GLU HA 1 1 2 440 1 1 1 GLU HB2 H 4.988 -14.835 5.290 1.00 . A A . 29 GLU HB2 1 1 2 441 1 1 1 GLU HB3 H 5.151 -13.124 5.684 1.00 . A A . 29 GLU HB3 1 1 2 442 1 1 1 GLU HG2 H 7.071 -13.470 6.984 1.00 . A A . 29 GLU HG2 1 1 2 443 1 1 1 GLU HG3 H 6.713 -15.180 7.227 1.00 . A A . 29 GLU HG3 1 1 2 444 1 1 1 GLU N N 3.633 -15.644 7.158 1.00 . A A . 29 GLU N 1 1 2 445 1 1 1 GLU O O 2.116 -13.421 6.818 1.00 . A A . 29 GLU O 1 1 2 446 1 1 1 GLU OE1 O 6.983 -15.093 4.291 1.00 . A A . 29 GLU OE1 1 1 2 447 1 1 1 GLU OE2 O 8.760 -14.619 5.414 1.00 . A A . 29 GLU OE2 1 1 2 448 1 1 2 LYS C C 3.081 -9.809 6.753 1.00 . A A . 30 LYS C 1 1 2 449 1 1 2 LYS CA C 2.597 -10.918 7.689 1.00 . A A . 30 LYS CA 1 1 2 450 1 1 2 LYS CB C 2.463 -10.364 9.109 1.00 . A A . 30 LYS CB 1 1 2 451 1 1 2 LYS CD C 1.181 -8.698 10.461 1.00 . A A . 30 LYS CD 1 1 2 452 1 1 2 LYS CE C 0.088 -7.635 10.339 1.00 . A A . 30 LYS CE 1 1 2 453 1 1 2 LYS CG C 1.131 -9.623 9.243 1.00 . A A . 30 LYS CG 1 1 2 454 1 1 2 LYS H H 4.494 -11.885 8.015 1.00 . A A . 30 LYS H 1 1 2 455 1 1 2 LYS HA H 1.638 -11.283 7.354 1.00 . A A . 30 LYS HA 1 1 2 456 1 1 2 LYS HB2 H 2.497 -11.177 9.818 1.00 . A A . 30 LYS HB2 1 1 2 457 1 1 2 LYS HB3 H 3.274 -9.679 9.306 1.00 . A A . 30 LYS HB3 1 1 2 458 1 1 2 LYS HD2 H 1.024 -9.277 11.360 1.00 . A A . 30 LYS HD2 1 1 2 459 1 1 2 LYS HD3 H 2.146 -8.215 10.507 1.00 . A A . 30 LYS HD3 1 1 2 460 1 1 2 LYS HE2 H -0.014 -7.115 11.280 1.00 . A A . 30 LYS HE2 1 1 2 461 1 1 2 LYS HE3 H 0.356 -6.931 9.565 1.00 . A A . 30 LYS HE3 1 1 2 462 1 1 2 LYS HG2 H 0.953 -9.038 8.353 1.00 . A A . 30 LYS HG2 1 1 2 463 1 1 2 LYS HG3 H 0.333 -10.338 9.370 1.00 . A A . 30 LYS HG3 1 1 2 464 1 1 2 LYS HZ1 H -1.870 -7.575 9.635 1.00 . A A . 30 LYS HZ1 1 1 2 465 1 1 2 LYS HZ2 H -1.605 -8.742 10.837 1.00 . A A . 30 LYS HZ2 1 1 2 466 1 1 2 LYS HZ3 H -1.041 -9.009 9.255 1.00 . A A . 30 LYS HZ3 1 1 2 467 1 1 2 LYS N N 3.584 -12.035 7.684 1.00 . A A . 30 LYS N 1 1 2 468 1 1 2 LYS NZ N -1.205 -8.289 9.990 1.00 . A A . 30 LYS NZ 1 1 2 469 1 1 2 LYS O O 3.806 -8.920 7.154 1.00 . A A . 30 LYS O 1 1 2 470 1 1 3 PRO C C 2.279 -7.558 4.616 1.00 . A A . 31 PRO C 1 1 2 471 1 1 3 PRO CA C 3.081 -8.855 4.491 1.00 . A A . 31 PRO CA 1 1 2 472 1 1 3 PRO CB C 2.775 -9.547 3.163 1.00 . A A . 31 PRO CB 1 1 2 473 1 1 3 PRO CD C 1.809 -10.903 4.940 1.00 . A A . 31 PRO CD 1 1 2 474 1 1 3 PRO CG C 1.679 -10.518 3.463 1.00 . A A . 31 PRO CG 1 1 2 475 1 1 3 PRO HA H 4.138 -8.652 4.556 1.00 . A A . 31 PRO HA 1 1 2 476 1 1 3 PRO HB2 H 2.446 -8.821 2.432 1.00 . A A . 31 PRO HB2 1 1 2 477 1 1 3 PRO HB3 H 3.646 -10.073 2.805 1.00 . A A . 31 PRO HB3 1 1 2 478 1 1 3 PRO HD2 H 0.839 -10.889 5.418 1.00 . A A . 31 PRO HD2 1 1 2 479 1 1 3 PRO HD3 H 2.269 -11.873 5.040 1.00 . A A . 31 PRO HD3 1 1 2 480 1 1 3 PRO HG2 H 0.718 -10.054 3.282 1.00 . A A . 31 PRO HG2 1 1 2 481 1 1 3 PRO HG3 H 1.788 -11.398 2.849 1.00 . A A . 31 PRO HG3 1 1 2 482 1 1 3 PRO N N 2.684 -9.865 5.510 1.00 . A A . 31 PRO N 1 1 2 483 1 1 3 PRO O O 1.683 -7.280 5.638 1.00 . A A . 31 PRO O 1 1 2 484 1 1 4 PHE C C 1.049 -5.088 2.234 1.00 . A A . 32 PHE C 1 1 2 485 1 1 4 PHE CA C 1.497 -5.481 3.643 1.00 . A A . 32 PHE CA 1 1 2 486 1 1 4 PHE CB C 2.390 -4.380 4.222 1.00 . A A . 32 PHE CB 1 1 2 487 1 1 4 PHE CD1 C 4.550 -4.866 3.015 1.00 . A A . 32 PHE CD1 1 1 2 488 1 1 4 PHE CD2 C 4.439 -5.248 5.407 1.00 . A A . 32 PHE CD2 1 1 2 489 1 1 4 PHE CE1 C 5.883 -5.295 3.008 1.00 . A A . 32 PHE CE1 1 1 2 490 1 1 4 PHE CE2 C 5.772 -5.677 5.400 1.00 . A A . 32 PHE CE2 1 1 2 491 1 1 4 PHE CG C 3.828 -4.843 4.214 1.00 . A A . 32 PHE CG 1 1 2 492 1 1 4 PHE CZ C 6.493 -5.701 4.201 1.00 . A A . 32 PHE CZ 1 1 2 493 1 1 4 PHE H H 2.747 -7.001 2.769 1.00 . A A . 32 PHE H 1 1 2 494 1 1 4 PHE HA H 0.630 -5.608 4.274 1.00 . A A . 32 PHE HA 1 1 2 495 1 1 4 PHE HB2 H 2.296 -3.487 3.620 1.00 . A A . 32 PHE HB2 1 1 2 496 1 1 4 PHE HB3 H 2.087 -4.166 5.235 1.00 . A A . 32 PHE HB3 1 1 2 497 1 1 4 PHE HD1 H 4.079 -4.553 2.094 1.00 . A A . 32 PHE HD1 1 1 2 498 1 1 4 PHE HD2 H 3.882 -5.230 6.332 1.00 . A A . 32 PHE HD2 1 1 2 499 1 1 4 PHE HE1 H 6.440 -5.313 2.083 1.00 . A A . 32 PHE HE1 1 1 2 500 1 1 4 PHE HE2 H 6.242 -5.990 6.321 1.00 . A A . 32 PHE HE2 1 1 2 501 1 1 4 PHE HZ H 7.521 -6.031 4.196 1.00 . A A . 32 PHE HZ 1 1 2 502 1 1 4 PHE N N 2.260 -6.759 3.584 1.00 . A A . 32 PHE N 1 1 2 503 1 1 4 PHE O O 1.551 -4.147 1.651 1.00 . A A . 32 PHE O 1 1 2 504 1 1 5 SER C C -1.797 -4.915 0.388 1.00 . A A . 33 SER C 1 1 2 505 1 1 5 SER CA C -0.373 -5.469 0.309 1.00 . A A . 33 SER CA 1 1 2 506 1 1 5 SER CB C -0.362 -6.730 -0.556 1.00 . A A . 33 SER CB 1 1 2 507 1 1 5 SER H H -0.286 -6.557 2.167 1.00 . A A . 33 SER H 1 1 2 508 1 1 5 SER HA H 0.277 -4.726 -0.129 1.00 . A A . 33 SER HA 1 1 2 509 1 1 5 SER HB2 H -1.373 -7.024 -0.782 1.00 . A A . 33 SER HB2 1 1 2 510 1 1 5 SER HB3 H 0.166 -6.528 -1.478 1.00 . A A . 33 SER HB3 1 1 2 511 1 1 5 SER HG H 1.229 -7.628 0.113 1.00 . A A . 33 SER HG 1 1 2 512 1 1 5 SER N N 0.107 -5.802 1.681 1.00 . A A . 33 SER N 1 1 2 513 1 1 5 SER O O -2.534 -5.200 1.310 1.00 . A A . 33 SER O 1 1 2 514 1 1 5 SER OG O 0.283 -7.780 0.153 1.00 . A A . 33 SER OG 1 1 2 515 1 1 6 CYS C C -4.569 -4.607 -1.026 1.00 . A A . 34 CYS C 1 1 2 516 1 1 6 CYS CA C -3.566 -3.553 -0.550 1.00 . A A . 34 CYS CA 1 1 2 517 1 1 6 CYS CB C -3.625 -2.336 -1.474 1.00 . A A . 34 CYS CB 1 1 2 518 1 1 6 CYS H H -1.579 -3.906 -1.309 1.00 . A A . 34 CYS H 1 1 2 519 1 1 6 CYS HA H -3.812 -3.251 0.457 1.00 . A A . 34 CYS HA 1 1 2 520 1 1 6 CYS HB2 H -2.892 -1.608 -1.160 1.00 . A A . 34 CYS HB2 1 1 2 521 1 1 6 CYS HB3 H -3.414 -2.643 -2.488 1.00 . A A . 34 CYS HB3 1 1 2 522 1 1 6 CYS N N -2.190 -4.125 -0.573 1.00 . A A . 34 CYS N 1 1 2 523 1 1 6 CYS O O -4.211 -5.731 -1.316 1.00 . A A . 34 CYS O 1 1 2 524 1 1 6 CYS SG S -5.277 -1.599 -1.397 1.00 . A A . 34 CYS SG 1 1 2 525 1 1 7 SER C C -6.902 -5.248 -3.092 1.00 . A A . 35 SER C 1 1 2 526 1 1 7 SER CA C -6.848 -5.235 -1.562 1.00 . A A . 35 SER CA 1 1 2 527 1 1 7 SER CB C -8.217 -4.838 -1.008 1.00 . A A . 35 SER CB 1 1 2 528 1 1 7 SER H H -6.091 -3.342 -0.868 1.00 . A A . 35 SER H 1 1 2 529 1 1 7 SER HA H -6.587 -6.219 -1.203 1.00 . A A . 35 SER HA 1 1 2 530 1 1 7 SER HB2 H -8.349 -5.266 -0.029 1.00 . A A . 35 SER HB2 1 1 2 531 1 1 7 SER HB3 H -8.278 -3.759 -0.940 1.00 . A A . 35 SER HB3 1 1 2 532 1 1 7 SER HG H -9.804 -5.908 -1.363 1.00 . A A . 35 SER HG 1 1 2 533 1 1 7 SER N N -5.823 -4.253 -1.108 1.00 . A A . 35 SER N 1 1 2 534 1 1 7 SER O O -6.301 -6.086 -3.735 1.00 . A A . 35 SER O 1 1 2 535 1 1 7 SER OG O -9.233 -5.329 -1.873 1.00 . A A . 35 SER OG 1 1 2 536 1 1 8 LEU C C -6.632 -3.353 -5.714 1.00 . A A . 36 LEU C 1 1 2 537 1 1 8 LEU CA C -7.706 -4.292 -5.165 1.00 . A A . 36 LEU CA 1 1 2 538 1 1 8 LEU CB C -9.088 -3.783 -5.580 1.00 . A A . 36 LEU CB 1 1 2 539 1 1 8 LEU CD1 C -10.833 -3.855 -7.365 1.00 . A A . 36 LEU CD1 1 1 2 540 1 1 8 LEU CD2 C -8.428 -3.575 -7.980 1.00 . A A . 36 LEU CD2 1 1 2 541 1 1 8 LEU CG C -9.398 -4.245 -7.004 1.00 . A A . 36 LEU CG 1 1 2 542 1 1 8 LEU H H -8.091 -3.661 -3.145 1.00 . A A . 36 LEU H 1 1 2 543 1 1 8 LEU HA H -7.553 -5.285 -5.560 1.00 . A A . 36 LEU HA 1 1 2 544 1 1 8 LEU HB2 H -9.833 -4.177 -4.903 1.00 . A A . 36 LEU HB2 1 1 2 545 1 1 8 LEU HB3 H -9.101 -2.705 -5.542 1.00 . A A . 36 LEU HB3 1 1 2 546 1 1 8 LEU HD11 H -11.520 -4.561 -6.922 1.00 . A A . 36 LEU HD11 1 1 2 547 1 1 8 LEU HD12 H -10.949 -3.864 -8.439 1.00 . A A . 36 LEU HD12 1 1 2 548 1 1 8 LEU HD13 H -11.042 -2.865 -6.988 1.00 . A A . 36 LEU HD13 1 1 2 549 1 1 8 LEU HD21 H -8.881 -3.522 -8.959 1.00 . A A . 36 LEU HD21 1 1 2 550 1 1 8 LEU HD22 H -7.516 -4.151 -8.034 1.00 . A A . 36 LEU HD22 1 1 2 551 1 1 8 LEU HD23 H -8.202 -2.577 -7.634 1.00 . A A . 36 LEU HD23 1 1 2 552 1 1 8 LEU HG H -9.291 -5.319 -7.066 1.00 . A A . 36 LEU HG 1 1 2 553 1 1 8 LEU N N -7.616 -4.327 -3.679 1.00 . A A . 36 LEU N 1 1 2 554 1 1 8 LEU O O -6.848 -2.167 -5.869 1.00 . A A . 36 LEU O 1 1 2 555 1 1 9 CYS C C -3.033 -3.679 -6.196 1.00 . A A . 37 CYS C 1 1 2 556 1 1 9 CYS CA C -4.375 -3.035 -6.549 1.00 . A A . 37 CYS CA 1 1 2 557 1 1 9 CYS CB C -4.443 -1.633 -5.937 1.00 . A A . 37 CYS CB 1 1 2 558 1 1 9 CYS H H -5.335 -4.839 -5.871 1.00 . A A . 37 CYS H 1 1 2 559 1 1 9 CYS HA H -4.469 -2.964 -7.623 1.00 . A A . 37 CYS HA 1 1 2 560 1 1 9 CYS HB2 H -3.463 -1.179 -5.970 1.00 . A A . 37 CYS HB2 1 1 2 561 1 1 9 CYS HB3 H -5.138 -1.027 -6.500 1.00 . A A . 37 CYS HB3 1 1 2 562 1 1 9 CYS N N -5.478 -3.880 -6.008 1.00 . A A . 37 CYS N 1 1 2 563 1 1 9 CYS O O -2.429 -3.360 -5.191 1.00 . A A . 37 CYS O 1 1 2 564 1 1 9 CYS SG S -4.994 -1.746 -4.216 1.00 . A A . 37 CYS SG 1 1 2 565 1 1 10 PRO C C -0.161 -4.351 -6.380 1.00 . A A . 38 PRO C 1 1 2 566 1 1 10 PRO CA C -1.289 -5.299 -6.796 1.00 . A A . 38 PRO CA 1 1 2 567 1 1 10 PRO CB C -0.989 -5.929 -8.155 1.00 . A A . 38 PRO CB 1 1 2 568 1 1 10 PRO CD C -3.243 -5.027 -8.253 1.00 . A A . 38 PRO CD 1 1 2 569 1 1 10 PRO CG C -2.322 -6.120 -8.802 1.00 . A A . 38 PRO CG 1 1 2 570 1 1 10 PRO HA H -1.413 -6.076 -6.059 1.00 . A A . 38 PRO HA 1 1 2 571 1 1 10 PRO HB2 H -0.373 -5.267 -8.747 1.00 . A A . 38 PRO HB2 1 1 2 572 1 1 10 PRO HB3 H -0.502 -6.884 -8.027 1.00 . A A . 38 PRO HB3 1 1 2 573 1 1 10 PRO HD2 H -3.319 -4.211 -8.958 1.00 . A A . 38 PRO HD2 1 1 2 574 1 1 10 PRO HD3 H -4.217 -5.430 -8.027 1.00 . A A . 38 PRO HD3 1 1 2 575 1 1 10 PRO HG2 H -2.227 -6.023 -9.876 1.00 . A A . 38 PRO HG2 1 1 2 576 1 1 10 PRO HG3 H -2.721 -7.090 -8.550 1.00 . A A . 38 PRO HG3 1 1 2 577 1 1 10 PRO N N -2.577 -4.584 -7.017 1.00 . A A . 38 PRO N 1 1 2 578 1 1 10 PRO O O 0.680 -3.982 -7.176 1.00 . A A . 38 PRO O 1 1 2 579 1 1 11 GLN C C 1.308 -3.378 -3.222 1.00 . A A . 39 GLN C 1 1 2 580 1 1 11 GLN CA C 0.940 -3.037 -4.668 1.00 . A A . 39 GLN CA 1 1 2 581 1 1 11 GLN CB C 0.446 -1.589 -4.744 1.00 . A A . 39 GLN CB 1 1 2 582 1 1 11 GLN CD C 0.122 -0.611 -2.466 1.00 . A A . 39 GLN CD 1 1 2 583 1 1 11 GLN CG C -0.567 -1.331 -3.627 1.00 . A A . 39 GLN CG 1 1 2 584 1 1 11 GLN H H -0.820 -4.268 -4.509 1.00 . A A . 39 GLN H 1 1 2 585 1 1 11 GLN HA H 1.811 -3.152 -5.296 1.00 . A A . 39 GLN HA 1 1 2 586 1 1 11 GLN HB2 H 1.284 -0.917 -4.633 1.00 . A A . 39 GLN HB2 1 1 2 587 1 1 11 GLN HB3 H -0.026 -1.421 -5.701 1.00 . A A . 39 GLN HB3 1 1 2 588 1 1 11 GLN HE21 H 1.832 -1.598 -2.682 1.00 . A A . 39 GLN HE21 1 1 2 589 1 1 11 GLN HE22 H 1.806 -0.459 -1.424 1.00 . A A . 39 GLN HE22 1 1 2 590 1 1 11 GLN HG2 H -1.371 -0.715 -4.006 1.00 . A A . 39 GLN HG2 1 1 2 591 1 1 11 GLN HG3 H -0.968 -2.270 -3.278 1.00 . A A . 39 GLN HG3 1 1 2 592 1 1 11 GLN N N -0.134 -3.956 -5.136 1.00 . A A . 39 GLN N 1 1 2 593 1 1 11 GLN NE2 N 1.356 -0.915 -2.166 1.00 . A A . 39 GLN NE2 1 1 2 594 1 1 11 GLN O O 0.455 -3.656 -2.401 1.00 . A A . 39 GLN O 1 1 2 595 1 1 11 GLN OE1 O -0.466 0.237 -1.826 1.00 . A A . 39 GLN OE1 1 1 2 596 1 1 12 ARG C C 3.821 -2.529 -0.946 1.00 . A A . 40 ARG C 1 1 2 597 1 1 12 ARG CA C 2.998 -3.688 -1.513 1.00 . A A . 40 ARG CA 1 1 2 598 1 1 12 ARG CB C 3.847 -4.960 -1.524 1.00 . A A . 40 ARG CB 1 1 2 599 1 1 12 ARG CD C 4.401 -4.834 -3.958 1.00 . A A . 40 ARG CD 1 1 2 600 1 1 12 ARG CG C 3.700 -5.660 -2.877 1.00 . A A . 40 ARG CG 1 1 2 601 1 1 12 ARG CZ C 5.891 -5.265 -5.818 1.00 . A A . 40 ARG CZ 1 1 2 602 1 1 12 ARG H H 3.246 -3.137 -3.581 1.00 . A A . 40 ARG H 1 1 2 603 1 1 12 ARG HA H 2.124 -3.842 -0.898 1.00 . A A . 40 ARG HA 1 1 2 604 1 1 12 ARG HB2 H 4.883 -4.703 -1.362 1.00 . A A . 40 ARG HB2 1 1 2 605 1 1 12 ARG HB3 H 3.512 -5.623 -0.740 1.00 . A A . 40 ARG HB3 1 1 2 606 1 1 12 ARG HD2 H 3.663 -4.419 -4.628 1.00 . A A . 40 ARG HD2 1 1 2 607 1 1 12 ARG HD3 H 4.959 -4.034 -3.494 1.00 . A A . 40 ARG HD3 1 1 2 608 1 1 12 ARG HE H 5.523 -6.616 -4.411 1.00 . A A . 40 ARG HE 1 1 2 609 1 1 12 ARG HG2 H 4.149 -6.641 -2.825 1.00 . A A . 40 ARG HG2 1 1 2 610 1 1 12 ARG HG3 H 2.653 -5.755 -3.122 1.00 . A A . 40 ARG HG3 1 1 2 611 1 1 12 ARG HH11 H 5.012 -3.469 -5.723 1.00 . A A . 40 ARG HH11 1 1 2 612 1 1 12 ARG HH12 H 6.065 -3.716 -7.075 1.00 . A A . 40 ARG HH12 1 1 2 613 1 1 12 ARG HH21 H 6.902 -6.957 -6.169 1.00 . A A . 40 ARG HH21 1 1 2 614 1 1 12 ARG HH22 H 7.134 -5.691 -7.329 1.00 . A A . 40 ARG HH22 1 1 2 615 1 1 12 ARG N N 2.574 -3.362 -2.905 1.00 . A A . 40 ARG N 1 1 2 616 1 1 12 ARG NE N 5.331 -5.708 -4.726 1.00 . A A . 40 ARG NE 1 1 2 617 1 1 12 ARG NH1 N 5.636 -4.055 -6.238 1.00 . A A . 40 ARG NH1 1 1 2 618 1 1 12 ARG NH2 N 6.705 -6.030 -6.492 1.00 . A A . 40 ARG NH2 1 1 2 619 1 1 12 ARG O O 4.692 -1.994 -1.603 1.00 . A A . 40 ARG O 1 1 2 620 1 1 13 SER C C 4.604 -1.327 2.349 1.00 . A A . 41 SER C 1 1 2 621 1 1 13 SER CA C 4.321 -1.015 0.878 1.00 . A A . 41 SER CA 1 1 2 622 1 1 13 SER CB C 3.503 0.273 0.779 1.00 . A A . 41 SER CB 1 1 2 623 1 1 13 SER H H 2.847 -2.582 0.783 1.00 . A A . 41 SER H 1 1 2 624 1 1 13 SER HA H 5.255 -0.890 0.350 1.00 . A A . 41 SER HA 1 1 2 625 1 1 13 SER HB2 H 2.458 0.052 0.918 1.00 . A A . 41 SER HB2 1 1 2 626 1 1 13 SER HB3 H 3.827 0.964 1.547 1.00 . A A . 41 SER HB3 1 1 2 627 1 1 13 SER HG H 2.839 1.167 -0.817 1.00 . A A . 41 SER HG 1 1 2 628 1 1 13 SER N N 3.553 -2.138 0.270 1.00 . A A . 41 SER N 1 1 2 629 1 1 13 SER O O 3.821 -1.971 3.019 1.00 . A A . 41 SER O 1 1 2 630 1 1 13 SER OG O 3.691 0.851 -0.506 1.00 . A A . 41 SER OG 1 1 2 631 1 1 14 ARG C C 5.890 0.142 5.098 1.00 . A A . 42 ARG C 1 1 2 632 1 1 14 ARG CA C 6.052 -1.144 4.283 1.00 . A A . 42 ARG CA 1 1 2 633 1 1 14 ARG CB C 7.499 -1.631 4.383 1.00 . A A . 42 ARG CB 1 1 2 634 1 1 14 ARG CD C 9.871 -0.861 4.191 1.00 . A A . 42 ARG CD 1 1 2 635 1 1 14 ARG CG C 8.431 -0.598 3.745 1.00 . A A . 42 ARG CG 1 1 2 636 1 1 14 ARG CZ C 11.644 0.365 5.297 1.00 . A A . 42 ARG CZ 1 1 2 637 1 1 14 ARG H H 6.335 -0.357 2.298 1.00 . A A . 42 ARG H 1 1 2 638 1 1 14 ARG HA H 5.388 -1.902 4.671 1.00 . A A . 42 ARG HA 1 1 2 639 1 1 14 ARG HB2 H 7.763 -1.762 5.423 1.00 . A A . 42 ARG HB2 1 1 2 640 1 1 14 ARG HB3 H 7.599 -2.572 3.865 1.00 . A A . 42 ARG HB3 1 1 2 641 1 1 14 ARG HD2 H 9.886 -1.669 4.907 1.00 . A A . 42 ARG HD2 1 1 2 642 1 1 14 ARG HD3 H 10.470 -1.130 3.334 1.00 . A A . 42 ARG HD3 1 1 2 643 1 1 14 ARG HE H 9.884 1.182 4.876 1.00 . A A . 42 ARG HE 1 1 2 644 1 1 14 ARG HG2 H 8.367 -0.674 2.669 1.00 . A A . 42 ARG HG2 1 1 2 645 1 1 14 ARG HG3 H 8.136 0.393 4.055 1.00 . A A . 42 ARG HG3 1 1 2 646 1 1 14 ARG HH11 H 11.998 -1.541 4.798 1.00 . A A . 42 ARG HH11 1 1 2 647 1 1 14 ARG HH12 H 13.303 -0.718 5.586 1.00 . A A . 42 ARG HH12 1 1 2 648 1 1 14 ARG HH21 H 11.575 2.271 5.906 1.00 . A A . 42 ARG HH21 1 1 2 649 1 1 14 ARG HH22 H 13.064 1.439 6.214 1.00 . A A . 42 ARG HH22 1 1 2 650 1 1 14 ARG N N 5.717 -0.874 2.856 1.00 . A A . 42 ARG N 1 1 2 651 1 1 14 ARG NE N 10.430 0.370 4.820 1.00 . A A . 42 ARG NE 1 1 2 652 1 1 14 ARG NH1 N 12.372 -0.716 5.221 1.00 . A A . 42 ARG NH1 1 1 2 653 1 1 14 ARG NH2 N 12.133 1.442 5.848 1.00 . A A . 42 ARG NH2 1 1 2 654 1 1 14 ARG O O 6.005 0.140 6.307 1.00 . A A . 42 ARG O 1 1 2 655 1 1 15 ASP C C 4.116 3.158 4.809 1.00 . A A . 43 ASP C 1 1 2 656 1 1 15 ASP CA C 5.458 2.525 5.182 1.00 . A A . 43 ASP CA 1 1 2 657 1 1 15 ASP CB C 6.593 3.478 4.806 1.00 . A A . 43 ASP CB 1 1 2 658 1 1 15 ASP CG C 7.570 3.597 5.979 1.00 . A A . 43 ASP CG 1 1 2 659 1 1 15 ASP H H 5.537 1.220 3.468 1.00 . A A . 43 ASP H 1 1 2 660 1 1 15 ASP HA H 5.483 2.335 6.244 1.00 . A A . 43 ASP HA 1 1 2 661 1 1 15 ASP HB2 H 7.114 3.095 3.940 1.00 . A A . 43 ASP HB2 1 1 2 662 1 1 15 ASP HB3 H 6.187 4.452 4.581 1.00 . A A . 43 ASP HB3 1 1 2 663 1 1 15 ASP N N 5.625 1.240 4.444 1.00 . A A . 43 ASP N 1 1 2 664 1 1 15 ASP O O 3.746 3.213 3.653 1.00 . A A . 43 ASP O 1 1 2 665 1 1 15 ASP OD1 O 7.201 4.200 6.973 1.00 . A A . 43 ASP OD1 1 1 2 666 1 1 15 ASP OD2 O 8.669 3.080 5.863 1.00 . A A . 43 ASP OD2 1 1 2 667 1 1 16 PHE C C 2.239 5.297 4.362 1.00 . A A . 44 PHE C 1 1 2 668 1 1 16 PHE CA C 2.067 4.265 5.476 1.00 . A A . 44 PHE CA 1 1 2 669 1 1 16 PHE CB C 1.530 4.956 6.732 1.00 . A A . 44 PHE CB 1 1 2 670 1 1 16 PHE CD1 C -0.695 3.771 6.710 1.00 . A A . 44 PHE CD1 1 1 2 671 1 1 16 PHE CD2 C -0.664 6.194 6.626 1.00 . A A . 44 PHE CD2 1 1 2 672 1 1 16 PHE CE1 C -2.094 3.788 6.670 1.00 . A A . 44 PHE CE1 1 1 2 673 1 1 16 PHE CE2 C -2.063 6.211 6.586 1.00 . A A . 44 PHE CE2 1 1 2 674 1 1 16 PHE CG C 0.020 4.974 6.688 1.00 . A A . 44 PHE CG 1 1 2 675 1 1 16 PHE CZ C -2.778 5.008 6.608 1.00 . A A . 44 PHE CZ 1 1 2 676 1 1 16 PHE H H 3.701 3.582 6.704 1.00 . A A . 44 PHE H 1 1 2 677 1 1 16 PHE HA H 1.370 3.504 5.158 1.00 . A A . 44 PHE HA 1 1 2 678 1 1 16 PHE HB2 H 1.859 4.416 7.608 1.00 . A A . 44 PHE HB2 1 1 2 679 1 1 16 PHE HB3 H 1.901 5.969 6.772 1.00 . A A . 44 PHE HB3 1 1 2 680 1 1 16 PHE HD1 H -0.168 2.830 6.757 1.00 . A A . 44 PHE HD1 1 1 2 681 1 1 16 PHE HD2 H -0.112 7.123 6.609 1.00 . A A . 44 PHE HD2 1 1 2 682 1 1 16 PHE HE1 H -2.647 2.860 6.686 1.00 . A A . 44 PHE HE1 1 1 2 683 1 1 16 PHE HE2 H -2.591 7.152 6.538 1.00 . A A . 44 PHE HE2 1 1 2 684 1 1 16 PHE HZ H -3.858 5.021 6.577 1.00 . A A . 44 PHE HZ 1 1 2 685 1 1 16 PHE N N 3.385 3.636 5.778 1.00 . A A . 44 PHE N 1 1 2 686 1 1 16 PHE O O 1.404 5.426 3.489 1.00 . A A . 44 PHE O 1 1 2 687 1 1 17 SER C C 3.323 6.410 1.948 1.00 . A A . 45 SER C 1 1 2 688 1 1 17 SER CA C 3.537 7.054 3.319 1.00 . A A . 45 SER CA 1 1 2 689 1 1 17 SER CB C 4.965 7.591 3.414 1.00 . A A . 45 SER CB 1 1 2 690 1 1 17 SER H H 3.980 5.914 5.092 1.00 . A A . 45 SER H 1 1 2 691 1 1 17 SER HA H 2.836 7.865 3.448 1.00 . A A . 45 SER HA 1 1 2 692 1 1 17 SER HB2 H 5.211 7.784 4.445 1.00 . A A . 45 SER HB2 1 1 2 693 1 1 17 SER HB3 H 5.653 6.857 3.015 1.00 . A A . 45 SER HB3 1 1 2 694 1 1 17 SER HG H 4.180 9.175 2.603 1.00 . A A . 45 SER HG 1 1 2 695 1 1 17 SER N N 3.317 6.033 4.381 1.00 . A A . 45 SER N 1 1 2 696 1 1 17 SER O O 2.468 6.816 1.186 1.00 . A A . 45 SER O 1 1 2 697 1 1 17 SER OG O 5.061 8.802 2.676 1.00 . A A . 45 SER OG 1 1 2 698 1 1 18 ALA C C 2.529 4.115 0.229 1.00 . A A . 46 ALA C 1 1 2 699 1 1 18 ALA CA C 3.927 4.731 0.310 1.00 . A A . 46 ALA CA 1 1 2 700 1 1 18 ALA CB C 4.979 3.630 0.166 1.00 . A A . 46 ALA CB 1 1 2 701 1 1 18 ALA H H 4.771 5.089 2.259 1.00 . A A . 46 ALA H 1 1 2 702 1 1 18 ALA HA H 4.049 5.454 -0.482 1.00 . A A . 46 ALA HA 1 1 2 703 1 1 18 ALA HB1 H 4.651 2.913 -0.572 1.00 . A A . 46 ALA HB1 1 1 2 704 1 1 18 ALA HB2 H 5.112 3.133 1.116 1.00 . A A . 46 ALA HB2 1 1 2 705 1 1 18 ALA HB3 H 5.916 4.066 -0.147 1.00 . A A . 46 ALA HB3 1 1 2 706 1 1 18 ALA N N 4.090 5.404 1.629 1.00 . A A . 46 ALA N 1 1 2 707 1 1 18 ALA O O 1.974 3.947 -0.839 1.00 . A A . 46 ALA O 1 1 2 708 1 1 19 MET C C -0.452 4.286 1.183 1.00 . A A . 47 MET C 1 1 2 709 1 1 19 MET CA C 0.592 3.178 1.341 1.00 . A A . 47 MET CA 1 1 2 710 1 1 19 MET CB C 0.352 2.436 2.657 1.00 . A A . 47 MET CB 1 1 2 711 1 1 19 MET CE C -1.849 0.936 4.736 1.00 . A A . 47 MET CE 1 1 2 712 1 1 19 MET CG C -0.501 1.193 2.395 1.00 . A A . 47 MET CG 1 1 2 713 1 1 19 MET H H 2.419 3.927 2.202 1.00 . A A . 47 MET H 1 1 2 714 1 1 19 MET HA H 0.511 2.487 0.516 1.00 . A A . 47 MET HA 1 1 2 715 1 1 19 MET HB2 H 1.301 2.140 3.081 1.00 . A A . 47 MET HB2 1 1 2 716 1 1 19 MET HB3 H -0.165 3.085 3.348 1.00 . A A . 47 MET HB3 1 1 2 717 1 1 19 MET HE1 H -1.683 2.004 4.757 1.00 . A A . 47 MET HE1 1 1 2 718 1 1 19 MET HE2 H -1.901 0.555 5.748 1.00 . A A . 47 MET HE2 1 1 2 719 1 1 19 MET HE3 H -2.778 0.729 4.230 1.00 . A A . 47 MET HE3 1 1 2 720 1 1 19 MET HG2 H -1.515 1.493 2.176 1.00 . A A . 47 MET HG2 1 1 2 721 1 1 19 MET HG3 H -0.097 0.651 1.552 1.00 . A A . 47 MET HG3 1 1 2 722 1 1 19 MET N N 1.954 3.781 1.352 1.00 . A A . 47 MET N 1 1 2 723 1 1 19 MET O O -1.530 4.066 0.667 1.00 . A A . 47 MET O 1 1 2 724 1 1 19 MET SD S -0.487 0.131 3.860 1.00 . A A . 47 MET SD 1 1 2 725 1 1 20 THR C C -1.249 6.988 0.023 1.00 . A A . 48 THR C 1 1 2 726 1 1 20 THR CA C -1.119 6.592 1.494 1.00 . A A . 48 THR CA 1 1 2 727 1 1 20 THR CB C -0.633 7.798 2.298 1.00 . A A . 48 THR CB 1 1 2 728 1 1 20 THR CG2 C -1.175 7.717 3.726 1.00 . A A . 48 THR CG2 1 1 2 729 1 1 20 THR H H 0.733 5.634 2.036 1.00 . A A . 48 THR H 1 1 2 730 1 1 20 THR HA H -2.080 6.275 1.869 1.00 . A A . 48 THR HA 1 1 2 731 1 1 20 THR HB H -0.991 8.703 1.833 1.00 . A A . 48 THR HB 1 1 2 732 1 1 20 THR HG1 H 1.100 7.931 1.427 1.00 . A A . 48 THR HG1 1 1 2 733 1 1 20 THR HG21 H -0.983 8.649 4.237 1.00 . A A . 48 THR HG21 1 1 2 734 1 1 20 THR HG22 H -0.685 6.910 4.251 1.00 . A A . 48 THR HG22 1 1 2 735 1 1 20 THR HG23 H -2.238 7.534 3.698 1.00 . A A . 48 THR HG23 1 1 2 736 1 1 20 THR N N -0.142 5.475 1.622 1.00 . A A . 48 THR N 1 1 2 737 1 1 20 THR O O -2.330 7.006 -0.530 1.00 . A A . 48 THR O 1 1 2 738 1 1 20 THR OG1 O 0.787 7.806 2.326 1.00 . A A . 48 THR OG1 1 1 2 739 1 1 21 LYS C C -0.989 6.602 -2.805 1.00 . A A . 49 LYS C 1 1 2 740 1 1 21 LYS CA C -0.229 7.689 -2.053 1.00 . A A . 49 LYS CA 1 1 2 741 1 1 21 LYS CB C 1.184 7.814 -2.627 1.00 . A A . 49 LYS CB 1 1 2 742 1 1 21 LYS CD C 3.177 9.309 -2.811 1.00 . A A . 49 LYS CD 1 1 2 743 1 1 21 LYS CE C 3.846 10.503 -2.128 1.00 . A A . 49 LYS CE 1 1 2 744 1 1 21 LYS CG C 1.713 9.228 -2.379 1.00 . A A . 49 LYS CG 1 1 2 745 1 1 21 LYS H H 0.709 7.277 -0.158 1.00 . A A . 49 LYS H 1 1 2 746 1 1 21 LYS HA H -0.748 8.631 -2.151 1.00 . A A . 49 LYS HA 1 1 2 747 1 1 21 LYS HB2 H 1.831 7.096 -2.146 1.00 . A A . 49 LYS HB2 1 1 2 748 1 1 21 LYS HB3 H 1.158 7.622 -3.689 1.00 . A A . 49 LYS HB3 1 1 2 749 1 1 21 LYS HD2 H 3.687 8.399 -2.528 1.00 . A A . 49 LYS HD2 1 1 2 750 1 1 21 LYS HD3 H 3.230 9.433 -3.882 1.00 . A A . 49 LYS HD3 1 1 2 751 1 1 21 LYS HE2 H 3.088 11.159 -1.726 1.00 . A A . 49 LYS HE2 1 1 2 752 1 1 21 LYS HE3 H 4.480 10.152 -1.327 1.00 . A A . 49 LYS HE3 1 1 2 753 1 1 21 LYS HG2 H 1.128 9.936 -2.949 1.00 . A A . 49 LYS HG2 1 1 2 754 1 1 21 LYS HG3 H 1.635 9.462 -1.328 1.00 . A A . 49 LYS HG3 1 1 2 755 1 1 21 LYS HZ1 H 4.269 11.116 -4.073 1.00 . A A . 49 LYS HZ1 1 1 2 756 1 1 21 LYS HZ2 H 5.644 10.884 -3.107 1.00 . A A . 49 LYS HZ2 1 1 2 757 1 1 21 LYS HZ3 H 4.672 12.260 -2.883 1.00 . A A . 49 LYS HZ3 1 1 2 758 1 1 21 LYS N N -0.156 7.303 -0.618 1.00 . A A . 49 LYS N 1 1 2 759 1 1 21 LYS NZ N 4.670 11.247 -3.123 1.00 . A A . 49 LYS NZ 1 1 2 760 1 1 21 LYS O O -1.746 6.870 -3.716 1.00 . A A . 49 LYS O 1 1 2 761 1 1 22 HIS C C -3.012 4.525 -3.048 1.00 . A A . 50 HIS C 1 1 2 762 1 1 22 HIS CA C -1.507 4.259 -3.090 1.00 . A A . 50 HIS CA 1 1 2 763 1 1 22 HIS CB C -1.203 2.949 -2.362 1.00 . A A . 50 HIS CB 1 1 2 764 1 1 22 HIS CD2 C -2.846 1.012 -1.680 1.00 . A A . 50 HIS CD2 1 1 2 765 1 1 22 HIS CE1 C -4.250 1.211 -3.317 1.00 . A A . 50 HIS CE1 1 1 2 766 1 1 22 HIS CG C -2.393 2.037 -2.473 1.00 . A A . 50 HIS CG 1 1 2 767 1 1 22 HIS H H -0.184 5.188 -1.673 1.00 . A A . 50 HIS H 1 1 2 768 1 1 22 HIS HA H -1.180 4.188 -4.116 1.00 . A A . 50 HIS HA 1 1 2 769 1 1 22 HIS HB2 H -0.341 2.479 -2.810 1.00 . A A . 50 HIS HB2 1 1 2 770 1 1 22 HIS HB3 H -1.002 3.155 -1.321 1.00 . A A . 50 HIS HB3 1 1 2 771 1 1 22 HIS HD1 H -3.266 2.784 -4.253 1.00 . A A . 50 HIS HD1 1 1 2 772 1 1 22 HIS HD2 H -2.366 0.665 -0.777 1.00 . A A . 50 HIS HD2 1 1 2 773 1 1 22 HIS HE1 H -5.097 1.067 -3.968 1.00 . A A . 50 HIS HE1 1 1 2 774 1 1 22 HIS N N -0.795 5.375 -2.416 1.00 . A A . 50 HIS N 1 1 2 775 1 1 22 HIS ND1 N -3.304 2.143 -3.511 1.00 . A A . 50 HIS ND1 1 1 2 776 1 1 22 HIS NE2 N -4.020 0.491 -2.215 1.00 . A A . 50 HIS NE2 1 1 2 777 1 1 22 HIS O O -3.712 4.339 -4.023 1.00 . A A . 50 HIS O 1 1 2 778 1 1 23 LEU C C -5.294 6.494 -2.639 1.00 . A A . 51 LEU C 1 1 2 779 1 1 23 LEU CA C -4.980 5.231 -1.839 1.00 . A A . 51 LEU CA 1 1 2 780 1 1 23 LEU CB C -5.386 5.430 -0.376 1.00 . A A . 51 LEU CB 1 1 2 781 1 1 23 LEU CD1 C -4.739 5.009 2.002 1.00 . A A . 51 LEU CD1 1 1 2 782 1 1 23 LEU CD2 C -4.160 3.340 0.237 1.00 . A A . 51 LEU CD2 1 1 2 783 1 1 23 LEU CG C -4.318 4.832 0.542 1.00 . A A . 51 LEU CG 1 1 2 784 1 1 23 LEU H H -2.942 5.106 -1.147 1.00 . A A . 51 LEU H 1 1 2 785 1 1 23 LEU HA H -5.526 4.397 -2.256 1.00 . A A . 51 LEU HA 1 1 2 786 1 1 23 LEU HB2 H -5.489 6.484 -0.172 1.00 . A A . 51 LEU HB2 1 1 2 787 1 1 23 LEU HB3 H -6.329 4.934 -0.197 1.00 . A A . 51 LEU HB3 1 1 2 788 1 1 23 LEU HD11 H -3.955 4.646 2.649 1.00 . A A . 51 LEU HD11 1 1 2 789 1 1 23 LEU HD12 H -5.646 4.452 2.186 1.00 . A A . 51 LEU HD12 1 1 2 790 1 1 23 LEU HD13 H -4.914 6.056 2.201 1.00 . A A . 51 LEU HD13 1 1 2 791 1 1 23 LEU HD21 H -3.943 2.808 1.153 1.00 . A A . 51 LEU HD21 1 1 2 792 1 1 23 LEU HD22 H -3.350 3.199 -0.463 1.00 . A A . 51 LEU HD22 1 1 2 793 1 1 23 LEU HD23 H -5.076 2.962 -0.191 1.00 . A A . 51 LEU HD23 1 1 2 794 1 1 23 LEU HG H -3.378 5.336 0.377 1.00 . A A . 51 LEU HG 1 1 2 795 1 1 23 LEU N N -3.520 4.959 -1.926 1.00 . A A . 51 LEU N 1 1 2 796 1 1 23 LEU O O -6.341 6.616 -3.243 1.00 . A A . 51 LEU O 1 1 2 797 1 1 24 ARG C C -4.334 8.400 -4.912 1.00 . A A . 52 ARG C 1 1 2 798 1 1 24 ARG CA C -4.620 8.679 -3.436 1.00 . A A . 52 ARG CA 1 1 2 799 1 1 24 ARG CB C -3.687 9.781 -2.932 1.00 . A A . 52 ARG CB 1 1 2 800 1 1 24 ARG CD C -3.645 12.055 -1.898 1.00 . A A . 52 ARG CD 1 1 2 801 1 1 24 ARG CG C -4.488 11.063 -2.701 1.00 . A A . 52 ARG CG 1 1 2 802 1 1 24 ARG CZ C -5.186 13.836 -1.337 1.00 . A A . 52 ARG CZ 1 1 2 803 1 1 24 ARG H H -3.542 7.306 -2.176 1.00 . A A . 52 ARG H 1 1 2 804 1 1 24 ARG HA H -5.648 8.990 -3.320 1.00 . A A . 52 ARG HA 1 1 2 805 1 1 24 ARG HB2 H -3.230 9.468 -2.004 1.00 . A A . 52 ARG HB2 1 1 2 806 1 1 24 ARG HB3 H -2.918 9.967 -3.667 1.00 . A A . 52 ARG HB3 1 1 2 807 1 1 24 ARG HD2 H -3.675 11.789 -0.851 1.00 . A A . 52 ARG HD2 1 1 2 808 1 1 24 ARG HD3 H -2.623 12.025 -2.247 1.00 . A A . 52 ARG HD3 1 1 2 809 1 1 24 ARG HE H -3.803 14.028 -2.749 1.00 . A A . 52 ARG HE 1 1 2 810 1 1 24 ARG HG2 H -4.750 11.500 -3.653 1.00 . A A . 52 ARG HG2 1 1 2 811 1 1 24 ARG HG3 H -5.387 10.831 -2.150 1.00 . A A . 52 ARG HG3 1 1 2 812 1 1 24 ARG HH11 H -5.331 12.118 -0.320 1.00 . A A . 52 ARG HH11 1 1 2 813 1 1 24 ARG HH12 H -6.463 13.351 0.127 1.00 . A A . 52 ARG HH12 1 1 2 814 1 1 24 ARG HH21 H -5.272 15.650 -2.179 1.00 . A A . 52 ARG HH21 1 1 2 815 1 1 24 ARG HH22 H -6.430 15.351 -0.927 1.00 . A A . 52 ARG HH22 1 1 2 816 1 1 24 ARG N N -4.384 7.430 -2.661 1.00 . A A . 52 ARG N 1 1 2 817 1 1 24 ARG NE N -4.190 13.429 -2.076 1.00 . A A . 52 ARG NE 1 1 2 818 1 1 24 ARG NH1 N -5.700 13.040 -0.440 1.00 . A A . 52 ARG NH1 1 1 2 819 1 1 24 ARG NH2 N -5.667 15.040 -1.493 1.00 . A A . 52 ARG NH2 1 1 2 820 1 1 24 ARG O O -4.832 9.072 -5.793 1.00 . A A . 52 ARG O 1 1 2 821 1 1 25 THR C C -4.203 6.005 -7.096 1.00 . A A . 53 THR C 1 1 2 822 1 1 25 THR CA C -3.216 7.064 -6.600 1.00 . A A . 53 THR CA 1 1 2 823 1 1 25 THR CB C -1.787 6.514 -6.685 1.00 . A A . 53 THR CB 1 1 2 824 1 1 25 THR CG2 C -1.812 4.990 -6.547 1.00 . A A . 53 THR CG2 1 1 2 825 1 1 25 THR H H -3.151 6.871 -4.457 1.00 . A A . 53 THR H 1 1 2 826 1 1 25 THR HA H -3.300 7.950 -7.212 1.00 . A A . 53 THR HA 1 1 2 827 1 1 25 THR HB H -1.191 6.932 -5.887 1.00 . A A . 53 THR HB 1 1 2 828 1 1 25 THR HG1 H -1.417 6.164 -8.561 1.00 . A A . 53 THR HG1 1 1 2 829 1 1 25 THR HG21 H -2.539 4.708 -5.799 1.00 . A A . 53 THR HG21 1 1 2 830 1 1 25 THR HG22 H -0.836 4.639 -6.249 1.00 . A A . 53 THR HG22 1 1 2 831 1 1 25 THR HG23 H -2.081 4.547 -7.494 1.00 . A A . 53 THR HG23 1 1 2 832 1 1 25 THR N N -3.535 7.402 -5.186 1.00 . A A . 53 THR N 1 1 2 833 1 1 25 THR O O -4.267 5.699 -8.269 1.00 . A A . 53 THR O 1 1 2 834 1 1 25 THR OG1 O -1.220 6.867 -7.937 1.00 . A A . 53 THR OG1 1 1 2 835 1 1 26 HIS C C -6.484 4.711 -8.012 1.00 . A A . 54 HIS C 1 1 2 836 1 1 26 HIS CA C -5.961 4.404 -6.606 1.00 . A A . 54 HIS CA 1 1 2 837 1 1 26 HIS CB C -7.127 4.403 -5.614 1.00 . A A . 54 HIS CB 1 1 2 838 1 1 26 HIS CD2 C -7.329 2.688 -3.630 1.00 . A A . 54 HIS CD2 1 1 2 839 1 1 26 HIS CE1 C -7.339 0.861 -4.796 1.00 . A A . 54 HIS CE1 1 1 2 840 1 1 26 HIS CG C -7.225 3.057 -4.949 1.00 . A A . 54 HIS CG 1 1 2 841 1 1 26 HIS H H -4.902 5.710 -5.262 1.00 . A A . 54 HIS H 1 1 2 842 1 1 26 HIS HA H -5.485 3.435 -6.603 1.00 . A A . 54 HIS HA 1 1 2 843 1 1 26 HIS HB2 H -6.961 5.163 -4.864 1.00 . A A . 54 HIS HB2 1 1 2 844 1 1 26 HIS HB3 H -8.047 4.612 -6.139 1.00 . A A . 54 HIS HB3 1 1 2 845 1 1 26 HIS HD1 H -7.162 1.794 -6.647 1.00 . A A . 54 HIS HD1 1 1 2 846 1 1 26 HIS HD2 H -7.348 3.370 -2.793 1.00 . A A . 54 HIS HD2 1 1 2 847 1 1 26 HIS HE1 H -7.372 -0.181 -5.076 1.00 . A A . 54 HIS HE1 1 1 2 848 1 1 26 HIS N N -4.974 5.444 -6.202 1.00 . A A . 54 HIS N 1 1 2 849 1 1 26 HIS ND1 N -7.232 1.876 -5.673 1.00 . A A . 54 HIS ND1 1 1 2 850 1 1 26 HIS NE2 N -7.402 1.301 -3.537 1.00 . A A . 54 HIS NE2 1 1 2 851 1 1 26 HIS O O -6.022 4.160 -8.991 1.00 . A A . 54 HIS O 1 1 2 852 1 1 27 GLY C C -7.603 7.359 -9.827 1.00 . A A . 55 GLY C 1 1 2 853 1 1 27 GLY CA C -7.998 5.928 -9.460 1.00 . A A . 55 GLY CA 1 1 2 854 1 1 27 GLY H H -7.805 6.020 -7.316 1.00 . A A . 55 GLY H 1 1 2 855 1 1 27 GLY HA2 H -7.602 5.244 -10.196 1.00 . A A . 55 GLY HA2 1 1 2 856 1 1 27 GLY HA3 H -9.074 5.850 -9.438 1.00 . A A . 55 GLY HA3 1 1 2 857 1 1 27 GLY N N -7.446 5.587 -8.118 1.00 . A A . 55 GLY N 1 1 2 858 1 1 27 GLY O O -6.447 7.701 -9.636 1.00 . A A . 55 GLY O 1 1 2 859 1 1 27 GLY OXT O -8.463 8.090 -10.293 1.00 . A A . 55 GLY OXT 1 1 2 860 2 2 1 ZN ZN ZN -5.881 0.040 -2.967 1.00 . B A . 84 ZN ZN 1 1 3 861 1 1 1 GLU C C 6.053 -4.874 7.563 1.00 . A A . 29 GLU C 1 1 3 862 1 1 1 GLU CA C 5.776 -3.513 8.205 1.00 . A A . 29 GLU CA 1 1 3 863 1 1 1 GLU CB C 6.340 -3.496 9.626 1.00 . A A . 29 GLU CB 1 1 3 864 1 1 1 GLU CD C 6.340 -4.690 11.821 1.00 . A A . 29 GLU CD 1 1 3 865 1 1 1 GLU CG C 5.954 -4.790 10.345 1.00 . A A . 29 GLU CG 1 1 3 866 1 1 1 GLU H1 H 4.091 -2.569 8.985 1.00 . A A . 29 GLU H1 1 1 3 867 1 1 1 GLU H2 H 3.816 -4.164 8.470 1.00 . A A . 29 GLU H2 1 1 3 868 1 1 1 GLU H3 H 3.984 -2.916 7.328 1.00 . A A . 29 GLU H3 1 1 3 869 1 1 1 GLU HA H 6.250 -2.737 7.621 1.00 . A A . 29 GLU HA 1 1 3 870 1 1 1 GLU HB2 H 7.417 -3.413 9.585 1.00 . A A . 29 GLU HB2 1 1 3 871 1 1 1 GLU HB3 H 5.935 -2.653 10.165 1.00 . A A . 29 GLU HB3 1 1 3 872 1 1 1 GLU HG2 H 4.888 -4.944 10.259 1.00 . A A . 29 GLU HG2 1 1 3 873 1 1 1 GLU HG3 H 6.476 -5.622 9.894 1.00 . A A . 29 GLU HG3 1 1 3 874 1 1 1 GLU N N 4.306 -3.273 8.250 1.00 . A A . 29 GLU N 1 1 3 875 1 1 1 GLU O O 7.076 -5.083 6.943 1.00 . A A . 29 GLU O 1 1 3 876 1 1 1 GLU OE1 O 6.908 -3.678 12.198 1.00 . A A . 29 GLU OE1 1 1 3 877 1 1 1 GLU OE2 O 6.062 -5.627 12.551 1.00 . A A . 29 GLU OE2 1 1 3 878 1 1 2 LYS C C 4.725 -7.187 5.710 1.00 . A A . 30 LYS C 1 1 3 879 1 1 2 LYS CA C 5.357 -7.148 7.104 1.00 . A A . 30 LYS CA 1 1 3 880 1 1 2 LYS CB C 4.703 -8.211 7.989 1.00 . A A . 30 LYS CB 1 1 3 881 1 1 2 LYS CD C 2.418 -8.692 8.880 1.00 . A A . 30 LYS CD 1 1 3 882 1 1 2 LYS CE C 1.202 -8.095 9.589 1.00 . A A . 30 LYS CE 1 1 3 883 1 1 2 LYS CG C 3.485 -7.610 8.693 1.00 . A A . 30 LYS CG 1 1 3 884 1 1 2 LYS H H 4.326 -5.612 8.208 1.00 . A A . 30 LYS H 1 1 3 885 1 1 2 LYS HA H 6.415 -7.345 7.026 1.00 . A A . 30 LYS HA 1 1 3 886 1 1 2 LYS HB2 H 4.390 -9.046 7.379 1.00 . A A . 30 LYS HB2 1 1 3 887 1 1 2 LYS HB3 H 5.412 -8.550 8.728 1.00 . A A . 30 LYS HB3 1 1 3 888 1 1 2 LYS HD2 H 2.121 -9.074 7.913 1.00 . A A . 30 LYS HD2 1 1 3 889 1 1 2 LYS HD3 H 2.821 -9.496 9.477 1.00 . A A . 30 LYS HD3 1 1 3 890 1 1 2 LYS HE2 H 1.197 -8.409 10.623 1.00 . A A . 30 LYS HE2 1 1 3 891 1 1 2 LYS HE3 H 1.250 -7.017 9.540 1.00 . A A . 30 LYS HE3 1 1 3 892 1 1 2 LYS HG2 H 3.781 -7.226 9.658 1.00 . A A . 30 LYS HG2 1 1 3 893 1 1 2 LYS HG3 H 3.080 -6.809 8.094 1.00 . A A . 30 LYS HG3 1 1 3 894 1 1 2 LYS HZ1 H -0.656 -7.753 8.711 1.00 . A A . 30 LYS HZ1 1 1 3 895 1 1 2 LYS HZ2 H -0.548 -9.223 9.550 1.00 . A A . 30 LYS HZ2 1 1 3 896 1 1 2 LYS HZ3 H 0.201 -9.055 8.035 1.00 . A A . 30 LYS HZ3 1 1 3 897 1 1 2 LYS N N 5.145 -5.801 7.705 1.00 . A A . 30 LYS N 1 1 3 898 1 1 2 LYS NZ N -0.044 -8.568 8.921 1.00 . A A . 30 LYS NZ 1 1 3 899 1 1 2 LYS O O 3.848 -6.406 5.396 1.00 . A A . 30 LYS O 1 1 3 900 1 1 3 PRO C C 3.112 -8.181 3.451 1.00 . A A . 31 PRO C 1 1 3 901 1 1 3 PRO CA C 4.641 -8.246 3.497 1.00 . A A . 31 PRO CA 1 1 3 902 1 1 3 PRO CB C 5.130 -9.631 3.075 1.00 . A A . 31 PRO CB 1 1 3 903 1 1 3 PRO CD C 6.223 -9.077 5.177 1.00 . A A . 31 PRO CD 1 1 3 904 1 1 3 PRO CG C 6.363 -9.881 3.881 1.00 . A A . 31 PRO CG 1 1 3 905 1 1 3 PRO HA H 5.068 -7.499 2.849 1.00 . A A . 31 PRO HA 1 1 3 906 1 1 3 PRO HB2 H 4.378 -10.376 3.296 1.00 . A A . 31 PRO HB2 1 1 3 907 1 1 3 PRO HB3 H 5.370 -9.639 2.022 1.00 . A A . 31 PRO HB3 1 1 3 908 1 1 3 PRO HD2 H 5.925 -9.724 5.991 1.00 . A A . 31 PRO HD2 1 1 3 909 1 1 3 PRO HD3 H 7.148 -8.573 5.410 1.00 . A A . 31 PRO HD3 1 1 3 910 1 1 3 PRO HG2 H 6.449 -10.936 4.104 1.00 . A A . 31 PRO HG2 1 1 3 911 1 1 3 PRO HG3 H 7.234 -9.544 3.339 1.00 . A A . 31 PRO HG3 1 1 3 912 1 1 3 PRO N N 5.168 -8.095 4.881 1.00 . A A . 31 PRO N 1 1 3 913 1 1 3 PRO O O 2.429 -9.010 4.021 1.00 . A A . 31 PRO O 1 1 3 914 1 1 4 PHE C C 0.687 -6.494 1.347 1.00 . A A . 32 PHE C 1 1 3 915 1 1 4 PHE CA C 1.085 -7.088 2.700 1.00 . A A . 32 PHE CA 1 1 3 916 1 1 4 PHE CB C 0.585 -6.176 3.823 1.00 . A A . 32 PHE CB 1 1 3 917 1 1 4 PHE CD1 C -1.788 -6.980 3.547 1.00 . A A . 32 PHE CD1 1 1 3 918 1 1 4 PHE CD2 C -0.799 -7.004 5.761 1.00 . A A . 32 PHE CD2 1 1 3 919 1 1 4 PHE CE1 C -2.979 -7.496 4.072 1.00 . A A . 32 PHE CE1 1 1 3 920 1 1 4 PHE CE2 C -1.990 -7.520 6.286 1.00 . A A . 32 PHE CE2 1 1 3 921 1 1 4 PHE CG C -0.699 -6.734 4.390 1.00 . A A . 32 PHE CG 1 1 3 922 1 1 4 PHE CZ C -3.080 -7.766 5.443 1.00 . A A . 32 PHE CZ 1 1 3 923 1 1 4 PHE H H 3.136 -6.544 2.327 1.00 . A A . 32 PHE H 1 1 3 924 1 1 4 PHE HA H 0.641 -8.067 2.808 1.00 . A A . 32 PHE HA 1 1 3 925 1 1 4 PHE HB2 H 1.331 -6.124 4.603 1.00 . A A . 32 PHE HB2 1 1 3 926 1 1 4 PHE HB3 H 0.404 -5.188 3.430 1.00 . A A . 32 PHE HB3 1 1 3 927 1 1 4 PHE HD1 H -1.710 -6.771 2.490 1.00 . A A . 32 PHE HD1 1 1 3 928 1 1 4 PHE HD2 H 0.041 -6.815 6.412 1.00 . A A . 32 PHE HD2 1 1 3 929 1 1 4 PHE HE1 H -3.819 -7.686 3.421 1.00 . A A . 32 PHE HE1 1 1 3 930 1 1 4 PHE HE2 H -2.067 -7.729 7.344 1.00 . A A . 32 PHE HE2 1 1 3 931 1 1 4 PHE HZ H -3.997 -8.164 5.848 1.00 . A A . 32 PHE HZ 1 1 3 932 1 1 4 PHE N N 2.568 -7.203 2.778 1.00 . A A . 32 PHE N 1 1 3 933 1 1 4 PHE O O 1.250 -5.515 0.898 1.00 . A A . 32 PHE O 1 1 3 934 1 1 5 SER C C -2.029 -5.775 -0.455 1.00 . A A . 33 SER C 1 1 3 935 1 1 5 SER CA C -0.718 -6.547 -0.627 1.00 . A A . 33 SER CA 1 1 3 936 1 1 5 SER CB C -0.933 -7.710 -1.597 1.00 . A A . 33 SER CB 1 1 3 937 1 1 5 SER H H -0.723 -7.866 1.076 1.00 . A A . 33 SER H 1 1 3 938 1 1 5 SER HA H 0.041 -5.886 -1.019 1.00 . A A . 33 SER HA 1 1 3 939 1 1 5 SER HB2 H -1.752 -7.483 -2.260 1.00 . A A . 33 SER HB2 1 1 3 940 1 1 5 SER HB3 H -0.033 -7.863 -2.178 1.00 . A A . 33 SER HB3 1 1 3 941 1 1 5 SER HG H -1.037 -8.719 0.064 1.00 . A A . 33 SER HG 1 1 3 942 1 1 5 SER N N -0.282 -7.078 0.695 1.00 . A A . 33 SER N 1 1 3 943 1 1 5 SER O O -2.796 -6.031 0.451 1.00 . A A . 33 SER O 1 1 3 944 1 1 5 SER OG O -1.241 -8.886 -0.859 1.00 . A A . 33 SER OG 1 1 3 945 1 1 6 CYS C C -4.742 -4.911 -1.612 1.00 . A A . 34 CYS C 1 1 3 946 1 1 6 CYS CA C -3.553 -4.043 -1.194 1.00 . A A . 34 CYS CA 1 1 3 947 1 1 6 CYS CB C -3.478 -2.809 -2.096 1.00 . A A . 34 CYS CB 1 1 3 948 1 1 6 CYS H H -1.659 -4.634 -2.041 1.00 . A A . 34 CYS H 1 1 3 949 1 1 6 CYS HA H -3.681 -3.728 -0.169 1.00 . A A . 34 CYS HA 1 1 3 950 1 1 6 CYS HB2 H -2.641 -2.195 -1.799 1.00 . A A . 34 CYS HB2 1 1 3 951 1 1 6 CYS HB3 H -3.349 -3.122 -3.123 1.00 . A A . 34 CYS HB3 1 1 3 952 1 1 6 CYS N N -2.292 -4.829 -1.316 1.00 . A A . 34 CYS N 1 1 3 953 1 1 6 CYS O O -4.587 -6.057 -1.982 1.00 . A A . 34 CYS O 1 1 3 954 1 1 6 CYS SG S -5.010 -1.856 -1.943 1.00 . A A . 34 CYS SG 1 1 3 955 1 1 7 SER C C -7.273 -5.181 -3.467 1.00 . A A . 35 SER C 1 1 3 956 1 1 7 SER CA C -7.131 -5.168 -1.943 1.00 . A A . 35 SER CA 1 1 3 957 1 1 7 SER CB C -8.380 -4.543 -1.322 1.00 . A A . 35 SER CB 1 1 3 958 1 1 7 SER H H -6.036 -3.447 -1.249 1.00 . A A . 35 SER H 1 1 3 959 1 1 7 SER HA H -7.021 -6.181 -1.584 1.00 . A A . 35 SER HA 1 1 3 960 1 1 7 SER HB2 H -8.286 -3.469 -1.323 1.00 . A A . 35 SER HB2 1 1 3 961 1 1 7 SER HB3 H -9.249 -4.826 -1.901 1.00 . A A . 35 SER HB3 1 1 3 962 1 1 7 SER HG H -9.100 -4.389 0.480 1.00 . A A . 35 SER HG 1 1 3 963 1 1 7 SER N N -5.931 -4.373 -1.553 1.00 . A A . 35 SER N 1 1 3 964 1 1 7 SER O O -6.999 -6.171 -4.116 1.00 . A A . 35 SER O 1 1 3 965 1 1 7 SER OG O -8.518 -4.997 0.018 1.00 . A A . 35 SER OG 1 1 3 966 1 1 8 LEU C C -6.705 -3.266 -6.148 1.00 . A A . 36 LEU C 1 1 3 967 1 1 8 LEU CA C -7.863 -4.050 -5.526 1.00 . A A . 36 LEU CA 1 1 3 968 1 1 8 LEU CB C -9.186 -3.366 -5.877 1.00 . A A . 36 LEU CB 1 1 3 969 1 1 8 LEU CD1 C -9.389 -4.750 -7.949 1.00 . A A . 36 LEU CD1 1 1 3 970 1 1 8 LEU CD2 C -10.657 -2.607 -7.749 1.00 . A A . 36 LEU CD2 1 1 3 971 1 1 8 LEU CG C -9.350 -3.323 -7.398 1.00 . A A . 36 LEU CG 1 1 3 972 1 1 8 LEU H H -7.919 -3.303 -3.505 1.00 . A A . 36 LEU H 1 1 3 973 1 1 8 LEU HA H -7.864 -5.057 -5.916 1.00 . A A . 36 LEU HA 1 1 3 974 1 1 8 LEU HB2 H -10.004 -3.919 -5.440 1.00 . A A . 36 LEU HB2 1 1 3 975 1 1 8 LEU HB3 H -9.184 -2.358 -5.489 1.00 . A A . 36 LEU HB3 1 1 3 976 1 1 8 LEU HD11 H -9.893 -5.394 -7.244 1.00 . A A . 36 LEU HD11 1 1 3 977 1 1 8 LEU HD12 H -8.380 -5.104 -8.103 1.00 . A A . 36 LEU HD12 1 1 3 978 1 1 8 LEU HD13 H -9.922 -4.758 -8.888 1.00 . A A . 36 LEU HD13 1 1 3 979 1 1 8 LEU HD21 H -10.825 -1.803 -7.049 1.00 . A A . 36 LEU HD21 1 1 3 980 1 1 8 LEU HD22 H -11.477 -3.309 -7.697 1.00 . A A . 36 LEU HD22 1 1 3 981 1 1 8 LEU HD23 H -10.590 -2.206 -8.749 1.00 . A A . 36 LEU HD23 1 1 3 982 1 1 8 LEU HG H -8.518 -2.792 -7.835 1.00 . A A . 36 LEU HG 1 1 3 983 1 1 8 LEU N N -7.701 -4.091 -4.044 1.00 . A A . 36 LEU N 1 1 3 984 1 1 8 LEU O O -6.767 -2.063 -6.301 1.00 . A A . 36 LEU O 1 1 3 985 1 1 9 CYS C C -3.219 -4.078 -6.882 1.00 . A A . 37 CYS C 1 1 3 986 1 1 9 CYS CA C -4.484 -3.253 -7.131 1.00 . A A . 37 CYS CA 1 1 3 987 1 1 9 CYS CB C -4.313 -1.861 -6.514 1.00 . A A . 37 CYS CB 1 1 3 988 1 1 9 CYS H H -5.629 -4.915 -6.381 1.00 . A A . 37 CYS H 1 1 3 989 1 1 9 CYS HA H -4.647 -3.156 -8.194 1.00 . A A . 37 CYS HA 1 1 3 990 1 1 9 CYS HB2 H -3.281 -1.555 -6.600 1.00 . A A . 37 CYS HB2 1 1 3 991 1 1 9 CYS HB3 H -4.941 -1.155 -7.039 1.00 . A A . 37 CYS HB3 1 1 3 992 1 1 9 CYS N N -5.651 -3.944 -6.513 1.00 . A A . 37 CYS N 1 1 3 993 1 1 9 CYS O O -2.574 -3.948 -5.860 1.00 . A A . 37 CYS O 1 1 3 994 1 1 9 CYS SG S -4.783 -1.904 -4.766 1.00 . A A . 37 CYS SG 1 1 3 995 1 1 10 PRO C C -0.419 -5.014 -7.283 1.00 . A A . 38 PRO C 1 1 3 996 1 1 10 PRO CA C -1.666 -5.798 -7.702 1.00 . A A . 38 PRO CA 1 1 3 997 1 1 10 PRO CB C -1.494 -6.364 -9.112 1.00 . A A . 38 PRO CB 1 1 3 998 1 1 10 PRO CD C -3.594 -5.147 -9.076 1.00 . A A . 38 PRO CD 1 1 3 999 1 1 10 PRO CG C -2.853 -6.314 -9.730 1.00 . A A . 38 PRO CG 1 1 3 1000 1 1 10 PRO HA H -1.850 -6.605 -7.011 1.00 . A A . 38 PRO HA 1 1 3 1001 1 1 10 PRO HB2 H -0.801 -5.754 -9.677 1.00 . A A . 38 PRO HB2 1 1 3 1002 1 1 10 PRO HB3 H -1.147 -7.384 -9.067 1.00 . A A . 38 PRO HB3 1 1 3 1003 1 1 10 PRO HD2 H -3.540 -4.267 -9.704 1.00 . A A . 38 PRO HD2 1 1 3 1004 1 1 10 PRO HD3 H -4.620 -5.412 -8.876 1.00 . A A . 38 PRO HD3 1 1 3 1005 1 1 10 PRO HG2 H -2.767 -6.152 -10.796 1.00 . A A . 38 PRO HG2 1 1 3 1006 1 1 10 PRO HG3 H -3.382 -7.233 -9.534 1.00 . A A . 38 PRO HG3 1 1 3 1007 1 1 10 PRO N N -2.872 -4.927 -7.813 1.00 . A A . 38 PRO N 1 1 3 1008 1 1 10 PRO O O 0.416 -4.677 -8.099 1.00 . A A . 38 PRO O 1 1 3 1009 1 1 11 GLN C C 1.190 -4.308 -4.086 1.00 . A A . 39 GLN C 1 1 3 1010 1 1 11 GLN CA C 0.907 -3.965 -5.550 1.00 . A A . 39 GLN CA 1 1 3 1011 1 1 11 GLN CB C 0.641 -2.464 -5.681 1.00 . A A . 39 GLN CB 1 1 3 1012 1 1 11 GLN CD C -0.697 -0.556 -4.782 1.00 . A A . 39 GLN CD 1 1 3 1013 1 1 11 GLN CG C -0.276 -2.007 -4.545 1.00 . A A . 39 GLN CG 1 1 3 1014 1 1 11 GLN H H -0.970 -5.006 -5.376 1.00 . A A . 39 GLN H 1 1 3 1015 1 1 11 GLN HA H 1.763 -4.232 -6.153 1.00 . A A . 39 GLN HA 1 1 3 1016 1 1 11 GLN HB2 H 1.577 -1.927 -5.628 1.00 . A A . 39 GLN HB2 1 1 3 1017 1 1 11 GLN HB3 H 0.163 -2.264 -6.628 1.00 . A A . 39 GLN HB3 1 1 3 1018 1 1 11 GLN HE21 H 0.353 -0.379 -6.459 1.00 . A A . 39 GLN HE21 1 1 3 1019 1 1 11 GLN HE22 H -0.512 1.007 -5.994 1.00 . A A . 39 GLN HE22 1 1 3 1020 1 1 11 GLN HG2 H -1.154 -2.637 -4.514 1.00 . A A . 39 GLN HG2 1 1 3 1021 1 1 11 GLN HG3 H 0.251 -2.077 -3.606 1.00 . A A . 39 GLN HG3 1 1 3 1022 1 1 11 GLN N N -0.286 -4.724 -6.018 1.00 . A A . 39 GLN N 1 1 3 1023 1 1 11 GLN NE2 N -0.247 0.076 -5.832 1.00 . A A . 39 GLN NE2 1 1 3 1024 1 1 11 GLN O O 0.286 -4.485 -3.294 1.00 . A A . 39 GLN O 1 1 3 1025 1 1 11 GLN OE1 O -1.441 0.008 -4.006 1.00 . A A . 39 GLN OE1 1 1 3 1026 1 1 12 ARG C C 3.499 -3.546 -1.667 1.00 . A A . 40 ARG C 1 1 3 1027 1 1 12 ARG CA C 2.784 -4.735 -2.310 1.00 . A A . 40 ARG CA 1 1 3 1028 1 1 12 ARG CB C 3.703 -5.957 -2.285 1.00 . A A . 40 ARG CB 1 1 3 1029 1 1 12 ARG CD C 4.226 -6.732 -4.603 1.00 . A A . 40 ARG CD 1 1 3 1030 1 1 12 ARG CG C 4.706 -5.866 -3.437 1.00 . A A . 40 ARG CG 1 1 3 1031 1 1 12 ARG CZ C 5.226 -7.661 -6.605 1.00 . A A . 40 ARG CZ 1 1 3 1032 1 1 12 ARG H H 3.153 -4.256 -4.378 1.00 . A A . 40 ARG H 1 1 3 1033 1 1 12 ARG HA H 1.880 -4.953 -1.761 1.00 . A A . 40 ARG HA 1 1 3 1034 1 1 12 ARG HB2 H 4.235 -5.988 -1.345 1.00 . A A . 40 ARG HB2 1 1 3 1035 1 1 12 ARG HB3 H 3.113 -6.854 -2.395 1.00 . A A . 40 ARG HB3 1 1 3 1036 1 1 12 ARG HD2 H 4.047 -7.739 -4.255 1.00 . A A . 40 ARG HD2 1 1 3 1037 1 1 12 ARG HD3 H 3.310 -6.322 -5.003 1.00 . A A . 40 ARG HD3 1 1 3 1038 1 1 12 ARG HE H 5.983 -6.082 -5.667 1.00 . A A . 40 ARG HE 1 1 3 1039 1 1 12 ARG HG2 H 4.789 -4.838 -3.760 1.00 . A A . 40 ARG HG2 1 1 3 1040 1 1 12 ARG HG3 H 5.670 -6.219 -3.104 1.00 . A A . 40 ARG HG3 1 1 3 1041 1 1 12 ARG HH11 H 3.578 -8.543 -5.889 1.00 . A A . 40 ARG HH11 1 1 3 1042 1 1 12 ARG HH12 H 4.243 -9.250 -7.323 1.00 . A A . 40 ARG HH12 1 1 3 1043 1 1 12 ARG HH21 H 6.866 -6.991 -7.539 1.00 . A A . 40 ARG HH21 1 1 3 1044 1 1 12 ARG HH22 H 6.105 -8.372 -8.257 1.00 . A A . 40 ARG HH22 1 1 3 1045 1 1 12 ARG N N 2.440 -4.403 -3.722 1.00 . A A . 40 ARG N 1 1 3 1046 1 1 12 ARG NE N 5.267 -6.752 -5.669 1.00 . A A . 40 ARG NE 1 1 3 1047 1 1 12 ARG NH1 N 4.275 -8.554 -6.606 1.00 . A A . 40 ARG NH1 1 1 3 1048 1 1 12 ARG NH2 N 6.136 -7.676 -7.540 1.00 . A A . 40 ARG NH2 1 1 3 1049 1 1 12 ARG O O 4.312 -2.888 -2.286 1.00 . A A . 40 ARG O 1 1 3 1050 1 1 13 SER C C 4.584 -2.615 1.512 1.00 . A A . 41 SER C 1 1 3 1051 1 1 13 SER CA C 3.870 -2.116 0.254 1.00 . A A . 41 SER CA 1 1 3 1052 1 1 13 SER CB C 2.822 -1.072 0.643 1.00 . A A . 41 SER CB 1 1 3 1053 1 1 13 SER H H 2.546 -3.805 0.056 1.00 . A A . 41 SER H 1 1 3 1054 1 1 13 SER HA H 4.591 -1.670 -0.416 1.00 . A A . 41 SER HA 1 1 3 1055 1 1 13 SER HB2 H 3.112 -0.592 1.562 1.00 . A A . 41 SER HB2 1 1 3 1056 1 1 13 SER HB3 H 2.746 -0.330 -0.141 1.00 . A A . 41 SER HB3 1 1 3 1057 1 1 13 SER HG H 1.716 -2.663 0.832 1.00 . A A . 41 SER HG 1 1 3 1058 1 1 13 SER N N 3.204 -3.262 -0.427 1.00 . A A . 41 SER N 1 1 3 1059 1 1 13 SER O O 4.446 -3.757 1.904 1.00 . A A . 41 SER O 1 1 3 1060 1 1 13 SER OG O 1.567 -1.715 0.826 1.00 . A A . 41 SER OG 1 1 3 1061 1 1 14 ARG C C 5.565 -1.391 4.575 1.00 . A A . 42 ARG C 1 1 3 1062 1 1 14 ARG CA C 6.070 -2.199 3.378 1.00 . A A . 42 ARG CA 1 1 3 1063 1 1 14 ARG CB C 7.573 -1.963 3.197 1.00 . A A . 42 ARG CB 1 1 3 1064 1 1 14 ARG CD C 9.129 -0.131 2.514 1.00 . A A . 42 ARG CD 1 1 3 1065 1 1 14 ARG CG C 7.795 -0.816 2.209 1.00 . A A . 42 ARG CG 1 1 3 1066 1 1 14 ARG CZ C 9.387 1.286 0.568 1.00 . A A . 42 ARG CZ 1 1 3 1067 1 1 14 ARG H H 5.449 -0.853 1.814 1.00 . A A . 42 ARG H 1 1 3 1068 1 1 14 ARG HA H 5.889 -3.249 3.552 1.00 . A A . 42 ARG HA 1 1 3 1069 1 1 14 ARG HB2 H 8.013 -1.710 4.150 1.00 . A A . 42 ARG HB2 1 1 3 1070 1 1 14 ARG HB3 H 8.034 -2.860 2.813 1.00 . A A . 42 ARG HB3 1 1 3 1071 1 1 14 ARG HD2 H 8.952 0.757 3.102 1.00 . A A . 42 ARG HD2 1 1 3 1072 1 1 14 ARG HD3 H 9.763 -0.809 3.068 1.00 . A A . 42 ARG HD3 1 1 3 1073 1 1 14 ARG HE H 10.545 -0.293 0.899 1.00 . A A . 42 ARG HE 1 1 3 1074 1 1 14 ARG HG2 H 7.812 -1.207 1.202 1.00 . A A . 42 ARG HG2 1 1 3 1075 1 1 14 ARG HG3 H 6.994 -0.098 2.305 1.00 . A A . 42 ARG HG3 1 1 3 1076 1 1 14 ARG HH11 H 7.946 1.748 1.878 1.00 . A A . 42 ARG HH11 1 1 3 1077 1 1 14 ARG HH12 H 8.078 2.798 0.507 1.00 . A A . 42 ARG HH12 1 1 3 1078 1 1 14 ARG HH21 H 10.733 1.067 -0.898 1.00 . A A . 42 ARG HH21 1 1 3 1079 1 1 14 ARG HH22 H 9.657 2.413 -1.063 1.00 . A A . 42 ARG HH22 1 1 3 1080 1 1 14 ARG N N 5.349 -1.769 2.147 1.00 . A A . 42 ARG N 1 1 3 1081 1 1 14 ARG NE N 9.798 0.243 1.237 1.00 . A A . 42 ARG NE 1 1 3 1082 1 1 14 ARG NH1 N 8.394 2.000 1.020 1.00 . A A . 42 ARG NH1 1 1 3 1083 1 1 14 ARG NH2 N 9.971 1.614 -0.551 1.00 . A A . 42 ARG NH2 1 1 3 1084 1 1 14 ARG O O 4.965 -1.923 5.487 1.00 . A A . 42 ARG O 1 1 3 1085 1 1 15 ASP C C 3.996 1.379 5.369 1.00 . A A . 43 ASP C 1 1 3 1086 1 1 15 ASP CA C 5.337 0.732 5.722 1.00 . A A . 43 ASP CA 1 1 3 1087 1 1 15 ASP CB C 6.369 1.825 6.005 1.00 . A A . 43 ASP CB 1 1 3 1088 1 1 15 ASP CG C 6.378 2.142 7.501 1.00 . A A . 43 ASP CG 1 1 3 1089 1 1 15 ASP H H 6.289 0.304 3.837 1.00 . A A . 43 ASP H 1 1 3 1090 1 1 15 ASP HA H 5.218 0.113 6.598 1.00 . A A . 43 ASP HA 1 1 3 1091 1 1 15 ASP HB2 H 7.348 1.482 5.702 1.00 . A A . 43 ASP HB2 1 1 3 1092 1 1 15 ASP HB3 H 6.112 2.715 5.451 1.00 . A A . 43 ASP HB3 1 1 3 1093 1 1 15 ASP N N 5.803 -0.107 4.582 1.00 . A A . 43 ASP N 1 1 3 1094 1 1 15 ASP O O 3.458 1.173 4.298 1.00 . A A . 43 ASP O 1 1 3 1095 1 1 15 ASP OD1 O 6.160 1.230 8.282 1.00 . A A . 43 ASP OD1 1 1 3 1096 1 1 15 ASP OD2 O 6.601 3.293 7.841 1.00 . A A . 43 ASP OD2 1 1 3 1097 1 1 16 PHE C C 2.376 4.039 5.076 1.00 . A A . 44 PHE C 1 1 3 1098 1 1 16 PHE CA C 2.146 2.823 5.977 1.00 . A A . 44 PHE CA 1 1 3 1099 1 1 16 PHE CB C 1.503 3.275 7.290 1.00 . A A . 44 PHE CB 1 1 3 1100 1 1 16 PHE CD1 C -0.653 2.048 6.844 1.00 . A A . 44 PHE CD1 1 1 3 1101 1 1 16 PHE CD2 C -0.742 4.423 7.325 1.00 . A A . 44 PHE CD2 1 1 3 1102 1 1 16 PHE CE1 C -2.047 2.022 6.715 1.00 . A A . 44 PHE CE1 1 1 3 1103 1 1 16 PHE CE2 C -2.135 4.398 7.195 1.00 . A A . 44 PHE CE2 1 1 3 1104 1 1 16 PHE CG C 0.000 3.249 7.149 1.00 . A A . 44 PHE CG 1 1 3 1105 1 1 16 PHE CZ C -2.787 3.197 6.891 1.00 . A A . 44 PHE CZ 1 1 3 1106 1 1 16 PHE H H 3.902 2.316 7.119 1.00 . A A . 44 PHE H 1 1 3 1107 1 1 16 PHE HA H 1.492 2.125 5.477 1.00 . A A . 44 PHE HA 1 1 3 1108 1 1 16 PHE HB2 H 1.804 2.610 8.085 1.00 . A A . 44 PHE HB2 1 1 3 1109 1 1 16 PHE HB3 H 1.824 4.281 7.520 1.00 . A A . 44 PHE HB3 1 1 3 1110 1 1 16 PHE HD1 H -0.081 1.142 6.709 1.00 . A A . 44 PHE HD1 1 1 3 1111 1 1 16 PHE HD2 H -0.239 5.349 7.559 1.00 . A A . 44 PHE HD2 1 1 3 1112 1 1 16 PHE HE1 H -2.550 1.096 6.480 1.00 . A A . 44 PHE HE1 1 1 3 1113 1 1 16 PHE HE2 H -2.707 5.304 7.330 1.00 . A A . 44 PHE HE2 1 1 3 1114 1 1 16 PHE HZ H -3.863 3.177 6.790 1.00 . A A . 44 PHE HZ 1 1 3 1115 1 1 16 PHE N N 3.451 2.162 6.261 1.00 . A A . 44 PHE N 1 1 3 1116 1 1 16 PHE O O 1.589 4.332 4.201 1.00 . A A . 44 PHE O 1 1 3 1117 1 1 17 SER C C 3.584 5.556 2.962 1.00 . A A . 45 SER C 1 1 3 1118 1 1 17 SER CA C 3.728 5.942 4.435 1.00 . A A . 45 SER CA 1 1 3 1119 1 1 17 SER CB C 5.151 6.438 4.696 1.00 . A A . 45 SER CB 1 1 3 1120 1 1 17 SER H H 4.078 4.497 5.994 1.00 . A A . 45 SER H 1 1 3 1121 1 1 17 SER HA H 3.022 6.725 4.673 1.00 . A A . 45 SER HA 1 1 3 1122 1 1 17 SER HB2 H 5.263 6.683 5.739 1.00 . A A . 45 SER HB2 1 1 3 1123 1 1 17 SER HB3 H 5.856 5.662 4.432 1.00 . A A . 45 SER HB3 1 1 3 1124 1 1 17 SER HG H 5.986 8.172 4.407 1.00 . A A . 45 SER HG 1 1 3 1125 1 1 17 SER N N 3.453 4.749 5.283 1.00 . A A . 45 SER N 1 1 3 1126 1 1 17 SER O O 2.897 6.210 2.203 1.00 . A A . 45 SER O 1 1 3 1127 1 1 17 SER OG O 5.393 7.601 3.913 1.00 . A A . 45 SER OG 1 1 3 1128 1 1 18 ALA C C 2.710 3.524 0.874 1.00 . A A . 46 ALA C 1 1 3 1129 1 1 18 ALA CA C 4.118 4.063 1.132 1.00 . A A . 46 ALA CA 1 1 3 1130 1 1 18 ALA CB C 5.144 2.962 0.857 1.00 . A A . 46 ALA CB 1 1 3 1131 1 1 18 ALA H H 4.769 3.979 3.183 1.00 . A A . 46 ALA H 1 1 3 1132 1 1 18 ALA HA H 4.307 4.905 0.482 1.00 . A A . 46 ALA HA 1 1 3 1133 1 1 18 ALA HB1 H 5.002 2.578 -0.142 1.00 . A A . 46 ALA HB1 1 1 3 1134 1 1 18 ALA HB2 H 5.015 2.162 1.571 1.00 . A A . 46 ALA HB2 1 1 3 1135 1 1 18 ALA HB3 H 6.142 3.368 0.948 1.00 . A A . 46 ALA HB3 1 1 3 1136 1 1 18 ALA N N 4.223 4.494 2.554 1.00 . A A . 46 ALA N 1 1 3 1137 1 1 18 ALA O O 2.128 3.752 -0.167 1.00 . A A . 46 ALA O 1 1 3 1138 1 1 19 MET C C -0.217 3.415 1.588 1.00 . A A . 47 MET C 1 1 3 1139 1 1 19 MET CA C 0.787 2.262 1.632 1.00 . A A . 47 MET CA 1 1 3 1140 1 1 19 MET CB C 0.447 1.331 2.797 1.00 . A A . 47 MET CB 1 1 3 1141 1 1 19 MET CE C -2.861 -0.409 3.704 1.00 . A A . 47 MET CE 1 1 3 1142 1 1 19 MET CG C -0.624 0.330 2.357 1.00 . A A . 47 MET CG 1 1 3 1143 1 1 19 MET H H 2.645 2.641 2.651 1.00 . A A . 47 MET H 1 1 3 1144 1 1 19 MET HA H 0.742 1.710 0.704 1.00 . A A . 47 MET HA 1 1 3 1145 1 1 19 MET HB2 H 1.336 0.798 3.103 1.00 . A A . 47 MET HB2 1 1 3 1146 1 1 19 MET HB3 H 0.073 1.913 3.626 1.00 . A A . 47 MET HB3 1 1 3 1147 1 1 19 MET HE1 H -3.244 -0.682 2.730 1.00 . A A . 47 MET HE1 1 1 3 1148 1 1 19 MET HE2 H -3.048 0.640 3.889 1.00 . A A . 47 MET HE2 1 1 3 1149 1 1 19 MET HE3 H -3.355 -0.998 4.460 1.00 . A A . 47 MET HE3 1 1 3 1150 1 1 19 MET HG2 H -1.495 0.864 2.009 1.00 . A A . 47 MET HG2 1 1 3 1151 1 1 19 MET HG3 H -0.235 -0.284 1.558 1.00 . A A . 47 MET HG3 1 1 3 1152 1 1 19 MET N N 2.158 2.811 1.819 1.00 . A A . 47 MET N 1 1 3 1153 1 1 19 MET O O -1.228 3.346 0.917 1.00 . A A . 47 MET O 1 1 3 1154 1 1 19 MET SD S -1.081 -0.721 3.757 1.00 . A A . 47 MET SD 1 1 3 1155 1 1 20 THR C C -0.902 6.266 0.904 1.00 . A A . 48 THR C 1 1 3 1156 1 1 20 THR CA C -0.881 5.634 2.296 1.00 . A A . 48 THR CA 1 1 3 1157 1 1 20 THR CB C -0.414 6.674 3.314 1.00 . A A . 48 THR CB 1 1 3 1158 1 1 20 THR CG2 C -1.061 6.390 4.671 1.00 . A A . 48 THR CG2 1 1 3 1159 1 1 20 THR H H 0.877 4.511 2.830 1.00 . A A . 48 THR H 1 1 3 1160 1 1 20 THR HA H -1.874 5.296 2.554 1.00 . A A . 48 THR HA 1 1 3 1161 1 1 20 THR HB H -0.706 7.657 2.980 1.00 . A A . 48 THR HB 1 1 3 1162 1 1 20 THR HG1 H 1.377 6.701 2.559 1.00 . A A . 48 THR HG1 1 1 3 1163 1 1 20 THR HG21 H -0.356 6.614 5.459 1.00 . A A . 48 THR HG21 1 1 3 1164 1 1 20 THR HG22 H -1.342 5.349 4.725 1.00 . A A . 48 THR HG22 1 1 3 1165 1 1 20 THR HG23 H -1.939 7.007 4.788 1.00 . A A . 48 THR HG23 1 1 3 1166 1 1 20 THR N N 0.055 4.475 2.298 1.00 . A A . 48 THR N 1 1 3 1167 1 1 20 THR O O -1.947 6.461 0.316 1.00 . A A . 48 THR O 1 1 3 1168 1 1 20 THR OG1 O 0.999 6.612 3.436 1.00 . A A . 48 THR OG1 1 1 3 1169 1 1 21 LYS C C -0.514 6.306 -1.938 1.00 . A A . 49 LYS C 1 1 3 1170 1 1 21 LYS CA C 0.284 7.192 -0.991 1.00 . A A . 49 LYS CA 1 1 3 1171 1 1 21 LYS CB C 1.731 7.279 -1.477 1.00 . A A . 49 LYS CB 1 1 3 1172 1 1 21 LYS CD C 1.932 9.523 -0.391 1.00 . A A . 49 LYS CD 1 1 3 1173 1 1 21 LYS CE C 3.028 10.544 -0.082 1.00 . A A . 49 LYS CE 1 1 3 1174 1 1 21 LYS CG C 2.551 8.127 -0.501 1.00 . A A . 49 LYS CG 1 1 3 1175 1 1 21 LYS H H 1.079 6.410 0.851 1.00 . A A . 49 LYS H 1 1 3 1176 1 1 21 LYS HA H -0.153 8.180 -0.960 1.00 . A A . 49 LYS HA 1 1 3 1177 1 1 21 LYS HB2 H 2.151 6.286 -1.533 1.00 . A A . 49 LYS HB2 1 1 3 1178 1 1 21 LYS HB3 H 1.753 7.735 -2.455 1.00 . A A . 49 LYS HB3 1 1 3 1179 1 1 21 LYS HD2 H 1.452 9.779 -1.325 1.00 . A A . 49 LYS HD2 1 1 3 1180 1 1 21 LYS HD3 H 1.201 9.530 0.404 1.00 . A A . 49 LYS HD3 1 1 3 1181 1 1 21 LYS HE2 H 3.702 10.138 0.659 1.00 . A A . 49 LYS HE2 1 1 3 1182 1 1 21 LYS HE3 H 3.578 10.768 -0.984 1.00 . A A . 49 LYS HE3 1 1 3 1183 1 1 21 LYS HG2 H 2.553 7.656 0.471 1.00 . A A . 49 LYS HG2 1 1 3 1184 1 1 21 LYS HG3 H 3.564 8.213 -0.862 1.00 . A A . 49 LYS HG3 1 1 3 1185 1 1 21 LYS HZ1 H 3.147 12.400 0.855 1.00 . A A . 49 LYS HZ1 1 1 3 1186 1 1 21 LYS HZ2 H 1.712 11.556 1.177 1.00 . A A . 49 LYS HZ2 1 1 3 1187 1 1 21 LYS HZ3 H 1.937 12.301 -0.333 1.00 . A A . 49 LYS HZ3 1 1 3 1188 1 1 21 LYS N N 0.246 6.582 0.367 1.00 . A A . 49 LYS N 1 1 3 1189 1 1 21 LYS NZ N 2.409 11.795 0.445 1.00 . A A . 49 LYS NZ 1 1 3 1190 1 1 21 LYS O O -1.263 6.774 -2.772 1.00 . A A . 49 LYS O 1 1 3 1191 1 1 22 HIS C C -2.595 4.424 -2.633 1.00 . A A . 50 HIS C 1 1 3 1192 1 1 22 HIS CA C -1.105 4.082 -2.681 1.00 . A A . 50 HIS CA 1 1 3 1193 1 1 22 HIS CB C -0.888 2.651 -2.186 1.00 . A A . 50 HIS CB 1 1 3 1194 1 1 22 HIS CD2 C -2.605 0.679 -1.924 1.00 . A A . 50 HIS CD2 1 1 3 1195 1 1 22 HIS CE1 C -3.988 1.266 -3.484 1.00 . A A . 50 HIS CE1 1 1 3 1196 1 1 22 HIS CG C -2.109 1.829 -2.485 1.00 . A A . 50 HIS CG 1 1 3 1197 1 1 22 HIS H H 0.249 4.671 -1.120 1.00 . A A . 50 HIS H 1 1 3 1198 1 1 22 HIS HA H -0.745 4.172 -3.696 1.00 . A A . 50 HIS HA 1 1 3 1199 1 1 22 HIS HB2 H -0.032 2.223 -2.686 1.00 . A A . 50 HIS HB2 1 1 3 1200 1 1 22 HIS HB3 H -0.714 2.663 -1.120 1.00 . A A . 50 HIS HB3 1 1 3 1201 1 1 22 HIS HD1 H -2.940 2.961 -4.070 1.00 . A A . 50 HIS HD1 1 1 3 1202 1 1 22 HIS HD2 H -2.144 0.133 -1.114 1.00 . A A . 50 HIS HD2 1 1 3 1203 1 1 22 HIS HE1 H -4.834 1.292 -4.151 1.00 . A A . 50 HIS HE1 1 1 3 1204 1 1 22 HIS N N -0.359 5.020 -1.805 1.00 . A A . 50 HIS N 1 1 3 1205 1 1 22 HIS ND1 N -3.008 2.183 -3.478 1.00 . A A . 50 HIS ND1 1 1 3 1206 1 1 22 HIS NE2 N -3.793 0.324 -2.557 1.00 . A A . 50 HIS NE2 1 1 3 1207 1 1 22 HIS O O -3.273 4.431 -3.640 1.00 . A A . 50 HIS O 1 1 3 1208 1 1 23 LEU C C -4.780 6.449 -1.950 1.00 . A A . 51 LEU C 1 1 3 1209 1 1 23 LEU CA C -4.562 5.049 -1.376 1.00 . A A . 51 LEU CA 1 1 3 1210 1 1 23 LEU CB C -5.013 5.015 0.086 1.00 . A A . 51 LEU CB 1 1 3 1211 1 1 23 LEU CD1 C -4.496 4.134 2.368 1.00 . A A . 51 LEU CD1 1 1 3 1212 1 1 23 LEU CD2 C -4.014 2.739 0.354 1.00 . A A . 51 LEU CD2 1 1 3 1213 1 1 23 LEU CG C -4.041 4.165 0.908 1.00 . A A . 51 LEU CG 1 1 3 1214 1 1 23 LEU H H -2.556 4.702 -0.664 1.00 . A A . 51 LEU H 1 1 3 1215 1 1 23 LEU HA H -5.137 4.334 -1.949 1.00 . A A . 51 LEU HA 1 1 3 1216 1 1 23 LEU HB2 H -5.035 6.020 0.478 1.00 . A A . 51 LEU HB2 1 1 3 1217 1 1 23 LEU HB3 H -6.001 4.582 0.145 1.00 . A A . 51 LEU HB3 1 1 3 1218 1 1 23 LEU HD11 H -4.098 4.993 2.888 1.00 . A A . 51 LEU HD11 1 1 3 1219 1 1 23 LEU HD12 H -4.137 3.231 2.838 1.00 . A A . 51 LEU HD12 1 1 3 1220 1 1 23 LEU HD13 H -5.575 4.157 2.410 1.00 . A A . 51 LEU HD13 1 1 3 1221 1 1 23 LEU HD21 H -4.891 2.207 0.689 1.00 . A A . 51 LEU HD21 1 1 3 1222 1 1 23 LEU HD22 H -3.129 2.232 0.708 1.00 . A A . 51 LEU HD22 1 1 3 1223 1 1 23 LEU HD23 H -4.003 2.771 -0.726 1.00 . A A . 51 LEU HD23 1 1 3 1224 1 1 23 LEU HG H -3.051 4.595 0.850 1.00 . A A . 51 LEU HG 1 1 3 1225 1 1 23 LEU N N -3.116 4.709 -1.470 1.00 . A A . 51 LEU N 1 1 3 1226 1 1 23 LEU O O -5.736 6.701 -2.653 1.00 . A A . 51 LEU O 1 1 3 1227 1 1 24 ARG C C -3.758 8.702 -3.711 1.00 . A A . 52 ARG C 1 1 3 1228 1 1 24 ARG CA C -4.040 8.736 -2.209 1.00 . A A . 52 ARG CA 1 1 3 1229 1 1 24 ARG CB C -3.045 9.673 -1.520 1.00 . A A . 52 ARG CB 1 1 3 1230 1 1 24 ARG CD C -2.376 12.083 -1.541 1.00 . A A . 52 ARG CD 1 1 3 1231 1 1 24 ARG CG C -3.557 11.113 -1.603 1.00 . A A . 52 ARG CG 1 1 3 1232 1 1 24 ARG CZ C -2.024 14.455 -1.884 1.00 . A A . 52 ARG CZ 1 1 3 1233 1 1 24 ARG H H -3.119 7.135 -1.103 1.00 . A A . 52 ARG H 1 1 3 1234 1 1 24 ARG HA H -5.047 9.087 -2.037 1.00 . A A . 52 ARG HA 1 1 3 1235 1 1 24 ARG HB2 H -2.938 9.387 -0.484 1.00 . A A . 52 ARG HB2 1 1 3 1236 1 1 24 ARG HB3 H -2.087 9.605 -2.014 1.00 . A A . 52 ARG HB3 1 1 3 1237 1 1 24 ARG HD2 H -2.033 12.168 -0.521 1.00 . A A . 52 ARG HD2 1 1 3 1238 1 1 24 ARG HD3 H -1.572 11.713 -2.161 1.00 . A A . 52 ARG HD3 1 1 3 1239 1 1 24 ARG HE H -3.677 13.527 -2.471 1.00 . A A . 52 ARG HE 1 1 3 1240 1 1 24 ARG HG2 H -4.089 11.253 -2.533 1.00 . A A . 52 ARG HG2 1 1 3 1241 1 1 24 ARG HG3 H -4.222 11.306 -0.775 1.00 . A A . 52 ARG HG3 1 1 3 1242 1 1 24 ARG HH11 H -0.577 13.418 -0.968 1.00 . A A . 52 ARG HH11 1 1 3 1243 1 1 24 ARG HH12 H -0.265 15.108 -1.185 1.00 . A A . 52 ARG HH12 1 1 3 1244 1 1 24 ARG HH21 H -3.288 15.733 -2.764 1.00 . A A . 52 ARG HH21 1 1 3 1245 1 1 24 ARG HH22 H -1.800 16.419 -2.204 1.00 . A A . 52 ARG HH22 1 1 3 1246 1 1 24 ARG N N -3.890 7.359 -1.665 1.00 . A A . 52 ARG N 1 1 3 1247 1 1 24 ARG NE N -2.807 13.422 -2.033 1.00 . A A . 52 ARG NE 1 1 3 1248 1 1 24 ARG NH1 N -0.865 14.316 -1.300 1.00 . A A . 52 ARG NH1 1 1 3 1249 1 1 24 ARG NH2 N -2.400 15.627 -2.318 1.00 . A A . 52 ARG NH2 1 1 3 1250 1 1 24 ARG O O -4.103 9.608 -4.442 1.00 . A A . 52 ARG O 1 1 3 1251 1 1 25 THR C C -3.840 6.596 -6.282 1.00 . A A . 53 THR C 1 1 3 1252 1 1 25 THR CA C -2.829 7.541 -5.626 1.00 . A A . 53 THR CA 1 1 3 1253 1 1 25 THR CB C -1.409 6.990 -5.808 1.00 . A A . 53 THR CB 1 1 3 1254 1 1 25 THR CG2 C -1.463 5.477 -6.034 1.00 . A A . 53 THR CG2 1 1 3 1255 1 1 25 THR H H -2.871 6.932 -3.563 1.00 . A A . 53 THR H 1 1 3 1256 1 1 25 THR HA H -2.898 8.517 -6.084 1.00 . A A . 53 THR HA 1 1 3 1257 1 1 25 THR HB H -0.825 7.196 -4.921 1.00 . A A . 53 THR HB 1 1 3 1258 1 1 25 THR HG1 H -1.038 7.113 -7.714 1.00 . A A . 53 THR HG1 1 1 3 1259 1 1 25 THR HG21 H -2.208 5.043 -5.387 1.00 . A A . 53 THR HG21 1 1 3 1260 1 1 25 THR HG22 H -0.498 5.045 -5.813 1.00 . A A . 53 THR HG22 1 1 3 1261 1 1 25 THR HG23 H -1.719 5.275 -7.064 1.00 . A A . 53 THR HG23 1 1 3 1262 1 1 25 THR N N -3.135 7.652 -4.173 1.00 . A A . 53 THR N 1 1 3 1263 1 1 25 THR O O -3.860 6.428 -7.485 1.00 . A A . 53 THR O 1 1 3 1264 1 1 25 THR OG1 O -0.801 7.615 -6.930 1.00 . A A . 53 THR OG1 1 1 3 1265 1 1 26 HIS C C -6.275 5.643 -7.348 1.00 . A A . 54 HIS C 1 1 3 1266 1 1 26 HIS CA C -5.693 5.044 -6.066 1.00 . A A . 54 HIS CA 1 1 3 1267 1 1 26 HIS CB C -6.817 4.826 -5.048 1.00 . A A . 54 HIS CB 1 1 3 1268 1 1 26 HIS CD2 C -6.933 2.708 -3.495 1.00 . A A . 54 HIS CD2 1 1 3 1269 1 1 26 HIS CE1 C -7.068 1.194 -5.039 1.00 . A A . 54 HIS CE1 1 1 3 1270 1 1 26 HIS CG C -6.909 3.366 -4.701 1.00 . A A . 54 HIS CG 1 1 3 1271 1 1 26 HIS H H -4.647 6.130 -4.527 1.00 . A A . 54 HIS H 1 1 3 1272 1 1 26 HIS HA H -5.223 4.098 -6.292 1.00 . A A . 54 HIS HA 1 1 3 1273 1 1 26 HIS HB2 H -6.608 5.396 -4.155 1.00 . A A . 54 HIS HB2 1 1 3 1274 1 1 26 HIS HB3 H -7.755 5.154 -5.472 1.00 . A A . 54 HIS HB3 1 1 3 1275 1 1 26 HIS HD1 H -6.998 2.522 -6.639 1.00 . A A . 54 HIS HD1 1 1 3 1276 1 1 26 HIS HD2 H -6.881 3.182 -2.525 1.00 . A A . 54 HIS HD2 1 1 3 1277 1 1 26 HIS HE1 H -7.145 0.243 -5.545 1.00 . A A . 54 HIS HE1 1 1 3 1278 1 1 26 HIS N N -4.681 5.978 -5.495 1.00 . A A . 54 HIS N 1 1 3 1279 1 1 26 HIS ND1 N -6.995 2.381 -5.671 1.00 . A A . 54 HIS ND1 1 1 3 1280 1 1 26 HIS NE2 N -7.034 1.336 -3.712 1.00 . A A . 54 HIS NE2 1 1 3 1281 1 1 26 HIS O O -6.842 6.718 -7.340 1.00 . A A . 54 HIS O 1 1 3 1282 1 1 27 GLY C C -6.522 7.007 -9.765 1.00 . A A . 55 GLY C 1 1 3 1283 1 1 27 GLY CA C -6.687 5.488 -9.730 1.00 . A A . 55 GLY CA 1 1 3 1284 1 1 27 GLY H H -5.680 4.091 -8.434 1.00 . A A . 55 GLY H 1 1 3 1285 1 1 27 GLY HA2 H -6.152 5.047 -10.559 1.00 . A A . 55 GLY HA2 1 1 3 1286 1 1 27 GLY HA3 H -7.735 5.241 -9.804 1.00 . A A . 55 GLY HA3 1 1 3 1287 1 1 27 GLY N N -6.141 4.957 -8.449 1.00 . A A . 55 GLY N 1 1 3 1288 1 1 27 GLY O O -5.425 7.471 -9.497 1.00 . A A . 55 GLY O 1 1 3 1289 1 1 27 GLY OXT O -7.495 7.683 -10.059 1.00 . A A . 55 GLY OXT 1 1 3 1290 2 2 1 ZN ZN ZN -5.596 -0.128 -3.442 1.00 . B A . 84 ZN ZN 1 1 4 1291 1 1 1 GLU C C 7.112 -10.478 3.508 1.00 . A A . 29 GLU C 1 1 4 1292 1 1 1 GLU CA C 8.534 -10.788 3.982 1.00 . A A . 29 GLU CA 1 1 4 1293 1 1 1 GLU CB C 8.851 -9.949 5.222 1.00 . A A . 29 GLU CB 1 1 4 1294 1 1 1 GLU CD C 10.396 -9.882 7.183 1.00 . A A . 29 GLU CD 1 1 4 1295 1 1 1 GLU CG C 10.263 -10.275 5.711 1.00 . A A . 29 GLU CG 1 1 4 1296 1 1 1 GLU H1 H 9.421 -11.162 2.136 1.00 . A A . 29 GLU H1 1 1 4 1297 1 1 1 GLU H2 H 10.469 -10.473 3.282 1.00 . A A . 29 GLU H2 1 1 4 1298 1 1 1 GLU H3 H 9.291 -9.515 2.519 1.00 . A A . 29 GLU H3 1 1 4 1299 1 1 1 GLU HA H 8.610 -11.836 4.228 1.00 . A A . 29 GLU HA 1 1 4 1300 1 1 1 GLU HB2 H 8.789 -8.899 4.971 1.00 . A A . 29 GLU HB2 1 1 4 1301 1 1 1 GLU HB3 H 8.140 -10.175 6.001 1.00 . A A . 29 GLU HB3 1 1 4 1302 1 1 1 GLU HG2 H 10.446 -11.334 5.602 1.00 . A A . 29 GLU HG2 1 1 4 1303 1 1 1 GLU HG3 H 10.983 -9.722 5.127 1.00 . A A . 29 GLU HG3 1 1 4 1304 1 1 1 GLU N N 9.502 -10.460 2.898 1.00 . A A . 29 GLU N 1 1 4 1305 1 1 1 GLU O O 6.898 -10.060 2.387 1.00 . A A . 29 GLU O 1 1 4 1306 1 1 1 GLU OE1 O 10.088 -10.708 8.027 1.00 . A A . 29 GLU OE1 1 1 4 1307 1 1 1 GLU OE2 O 10.802 -8.762 7.443 1.00 . A A . 29 GLU OE2 1 1 4 1308 1 1 2 LYS C C 4.187 -9.235 4.785 1.00 . A A . 30 LYS C 1 1 4 1309 1 1 2 LYS CA C 4.732 -10.395 3.950 1.00 . A A . 30 LYS CA 1 1 4 1310 1 1 2 LYS CB C 3.874 -11.640 4.186 1.00 . A A . 30 LYS CB 1 1 4 1311 1 1 2 LYS CD C 3.939 -12.781 1.964 1.00 . A A . 30 LYS CD 1 1 4 1312 1 1 2 LYS CE C 4.899 -13.550 1.055 1.00 . A A . 30 LYS CE 1 1 4 1313 1 1 2 LYS CG C 4.456 -12.818 3.403 1.00 . A A . 30 LYS CG 1 1 4 1314 1 1 2 LYS H H 6.332 -11.016 5.253 1.00 . A A . 30 LYS H 1 1 4 1315 1 1 2 LYS HA H 4.704 -10.133 2.904 1.00 . A A . 30 LYS HA 1 1 4 1316 1 1 2 LYS HB2 H 3.866 -11.877 5.241 1.00 . A A . 30 LYS HB2 1 1 4 1317 1 1 2 LYS HB3 H 2.866 -11.451 3.851 1.00 . A A . 30 LYS HB3 1 1 4 1318 1 1 2 LYS HD2 H 2.960 -13.236 1.922 1.00 . A A . 30 LYS HD2 1 1 4 1319 1 1 2 LYS HD3 H 3.874 -11.756 1.631 1.00 . A A . 30 LYS HD3 1 1 4 1320 1 1 2 LYS HE2 H 5.562 -14.150 1.660 1.00 . A A . 30 LYS HE2 1 1 4 1321 1 1 2 LYS HE3 H 4.335 -14.191 0.395 1.00 . A A . 30 LYS HE3 1 1 4 1322 1 1 2 LYS HG2 H 5.535 -12.750 3.400 1.00 . A A . 30 LYS HG2 1 1 4 1323 1 1 2 LYS HG3 H 4.155 -13.744 3.868 1.00 . A A . 30 LYS HG3 1 1 4 1324 1 1 2 LYS HZ1 H 5.935 -13.014 -0.670 1.00 . A A . 30 LYS HZ1 1 1 4 1325 1 1 2 LYS HZ2 H 6.576 -12.352 0.754 1.00 . A A . 30 LYS HZ2 1 1 4 1326 1 1 2 LYS HZ3 H 5.144 -11.719 0.093 1.00 . A A . 30 LYS HZ3 1 1 4 1327 1 1 2 LYS N N 6.139 -10.679 4.353 1.00 . A A . 30 LYS N 1 1 4 1328 1 1 2 LYS NZ N 5.699 -12.586 0.247 1.00 . A A . 30 LYS NZ 1 1 4 1329 1 1 2 LYS O O 3.574 -9.436 5.815 1.00 . A A . 30 LYS O 1 1 4 1330 1 1 3 PRO C C 2.453 -6.536 4.811 1.00 . A A . 31 PRO C 1 1 4 1331 1 1 3 PRO CA C 3.941 -6.807 5.050 1.00 . A A . 31 PRO CA 1 1 4 1332 1 1 3 PRO CB C 4.793 -5.692 4.447 1.00 . A A . 31 PRO CB 1 1 4 1333 1 1 3 PRO CD C 5.143 -7.696 3.108 1.00 . A A . 31 PRO CD 1 1 4 1334 1 1 3 PRO CG C 5.151 -6.164 3.075 1.00 . A A . 31 PRO CG 1 1 4 1335 1 1 3 PRO HA H 4.143 -6.885 6.106 1.00 . A A . 31 PRO HA 1 1 4 1336 1 1 3 PRO HB2 H 4.225 -4.774 4.395 1.00 . A A . 31 PRO HB2 1 1 4 1337 1 1 3 PRO HB3 H 5.689 -5.547 5.031 1.00 . A A . 31 PRO HB3 1 1 4 1338 1 1 3 PRO HD2 H 4.627 -8.086 2.242 1.00 . A A . 31 PRO HD2 1 1 4 1339 1 1 3 PRO HD3 H 6.151 -8.080 3.157 1.00 . A A . 31 PRO HD3 1 1 4 1340 1 1 3 PRO HG2 H 4.423 -5.802 2.361 1.00 . A A . 31 PRO HG2 1 1 4 1341 1 1 3 PRO HG3 H 6.136 -5.813 2.809 1.00 . A A . 31 PRO HG3 1 1 4 1342 1 1 3 PRO N N 4.412 -8.028 4.340 1.00 . A A . 31 PRO N 1 1 4 1343 1 1 3 PRO O O 1.758 -7.325 4.202 1.00 . A A . 31 PRO O 1 1 4 1344 1 1 4 PHE C C 0.278 -4.699 3.631 1.00 . A A . 32 PHE C 1 1 4 1345 1 1 4 PHE CA C 0.517 -5.108 5.087 1.00 . A A . 32 PHE CA 1 1 4 1346 1 1 4 PHE CB C 0.117 -3.954 6.010 1.00 . A A . 32 PHE CB 1 1 4 1347 1 1 4 PHE CD1 C -2.177 -4.866 6.522 1.00 . A A . 32 PHE CD1 1 1 4 1348 1 1 4 PHE CD2 C -0.658 -4.428 8.361 1.00 . A A . 32 PHE CD2 1 1 4 1349 1 1 4 PHE CE1 C -3.148 -5.305 7.429 1.00 . A A . 32 PHE CE1 1 1 4 1350 1 1 4 PHE CE2 C -1.630 -4.867 9.269 1.00 . A A . 32 PHE CE2 1 1 4 1351 1 1 4 PHE CG C -0.931 -4.428 6.988 1.00 . A A . 32 PHE CG 1 1 4 1352 1 1 4 PHE CZ C -2.874 -5.305 8.803 1.00 . A A . 32 PHE CZ 1 1 4 1353 1 1 4 PHE H H 2.535 -4.803 5.775 1.00 . A A . 32 PHE H 1 1 4 1354 1 1 4 PHE HA H -0.080 -5.977 5.318 1.00 . A A . 32 PHE HA 1 1 4 1355 1 1 4 PHE HB2 H 0.986 -3.610 6.552 1.00 . A A . 32 PHE HB2 1 1 4 1356 1 1 4 PHE HB3 H -0.283 -3.142 5.420 1.00 . A A . 32 PHE HB3 1 1 4 1357 1 1 4 PHE HD1 H -2.387 -4.865 5.463 1.00 . A A . 32 PHE HD1 1 1 4 1358 1 1 4 PHE HD2 H 0.303 -4.090 8.721 1.00 . A A . 32 PHE HD2 1 1 4 1359 1 1 4 PHE HE1 H -4.109 -5.643 7.070 1.00 . A A . 32 PHE HE1 1 1 4 1360 1 1 4 PHE HE2 H -1.419 -4.866 10.328 1.00 . A A . 32 PHE HE2 1 1 4 1361 1 1 4 PHE HZ H -3.624 -5.643 9.503 1.00 . A A . 32 PHE HZ 1 1 4 1362 1 1 4 PHE N N 1.959 -5.426 5.286 1.00 . A A . 32 PHE N 1 1 4 1363 1 1 4 PHE O O 0.903 -3.789 3.121 1.00 . A A . 32 PHE O 1 1 4 1364 1 1 5 SER C C -2.226 -4.235 1.468 1.00 . A A . 33 SER C 1 1 4 1365 1 1 5 SER CA C -0.907 -5.006 1.540 1.00 . A A . 33 SER CA 1 1 4 1366 1 1 5 SER CB C -1.014 -6.282 0.704 1.00 . A A . 33 SER CB 1 1 4 1367 1 1 5 SER H H -1.120 -6.088 3.391 1.00 . A A . 33 SER H 1 1 4 1368 1 1 5 SER HA H -0.108 -4.389 1.157 1.00 . A A . 33 SER HA 1 1 4 1369 1 1 5 SER HB2 H -2.028 -6.406 0.360 1.00 . A A . 33 SER HB2 1 1 4 1370 1 1 5 SER HB3 H -0.353 -6.209 -0.149 1.00 . A A . 33 SER HB3 1 1 4 1371 1 1 5 SER HG H 0.301 -7.391 1.614 1.00 . A A . 33 SER HG 1 1 4 1372 1 1 5 SER N N -0.624 -5.360 2.960 1.00 . A A . 33 SER N 1 1 4 1373 1 1 5 SER O O -2.955 -4.145 2.436 1.00 . A A . 33 SER O 1 1 4 1374 1 1 5 SER OG O -0.653 -7.400 1.506 1.00 . A A . 33 SER OG 1 1 4 1375 1 1 6 CYS C C -4.991 -3.889 0.123 1.00 . A A . 34 CYS C 1 1 4 1376 1 1 6 CYS CA C -3.816 -2.914 0.214 1.00 . A A . 34 CYS CA 1 1 4 1377 1 1 6 CYS CB C -3.783 -2.039 -1.040 1.00 . A A . 34 CYS CB 1 1 4 1378 1 1 6 CYS H H -1.941 -3.758 -0.441 1.00 . A A . 34 CYS H 1 1 4 1379 1 1 6 CYS HA H -3.939 -2.287 1.084 1.00 . A A . 34 CYS HA 1 1 4 1380 1 1 6 CYS HB2 H -2.936 -1.372 -0.992 1.00 . A A . 34 CYS HB2 1 1 4 1381 1 1 6 CYS HB3 H -3.699 -2.666 -1.916 1.00 . A A . 34 CYS HB3 1 1 4 1382 1 1 6 CYS N N -2.541 -3.677 0.331 1.00 . A A . 34 CYS N 1 1 4 1383 1 1 6 CYS O O -4.819 -5.091 0.165 1.00 . A A . 34 CYS O 1 1 4 1384 1 1 6 CYS SG S -5.311 -1.074 -1.131 1.00 . A A . 34 CYS SG 1 1 4 1385 1 1 7 SER C C -7.620 -4.669 -1.542 1.00 . A A . 35 SER C 1 1 4 1386 1 1 7 SER CA C -7.376 -4.272 -0.084 1.00 . A A . 35 SER CA 1 1 4 1387 1 1 7 SER CB C -8.603 -3.538 0.456 1.00 . A A . 35 SER CB 1 1 4 1388 1 1 7 SER H H -6.304 -2.406 -0.024 1.00 . A A . 35 SER H 1 1 4 1389 1 1 7 SER HA H -7.201 -5.162 0.505 1.00 . A A . 35 SER HA 1 1 4 1390 1 1 7 SER HB2 H -8.741 -3.781 1.497 1.00 . A A . 35 SER HB2 1 1 4 1391 1 1 7 SER HB3 H -8.456 -2.471 0.355 1.00 . A A . 35 SER HB3 1 1 4 1392 1 1 7 SER HG H -10.492 -3.406 0.014 1.00 . A A . 35 SER HG 1 1 4 1393 1 1 7 SER N N -6.187 -3.379 0.003 1.00 . A A . 35 SER N 1 1 4 1394 1 1 7 SER O O -7.423 -5.804 -1.927 1.00 . A A . 35 SER O 1 1 4 1395 1 1 7 SER OG O -9.752 -3.944 -0.274 1.00 . A A . 35 SER OG 1 1 4 1396 1 1 8 LEU C C -7.277 -3.402 -4.678 1.00 . A A . 36 LEU C 1 1 4 1397 1 1 8 LEU CA C -8.318 -4.080 -3.785 1.00 . A A . 36 LEU CA 1 1 4 1398 1 1 8 LEU CB C -9.715 -3.590 -4.173 1.00 . A A . 36 LEU CB 1 1 4 1399 1 1 8 LEU CD1 C -9.770 -5.433 -5.858 1.00 . A A . 36 LEU CD1 1 1 4 1400 1 1 8 LEU CD2 C -11.434 -3.574 -5.984 1.00 . A A . 36 LEU CD2 1 1 4 1401 1 1 8 LEU CG C -9.988 -3.936 -5.638 1.00 . A A . 36 LEU CG 1 1 4 1402 1 1 8 LEU H H -8.216 -2.836 -2.027 1.00 . A A . 36 LEU H 1 1 4 1403 1 1 8 LEU HA H -8.264 -5.150 -3.919 1.00 . A A . 36 LEU HA 1 1 4 1404 1 1 8 LEU HB2 H -10.451 -4.071 -3.546 1.00 . A A . 36 LEU HB2 1 1 4 1405 1 1 8 LEU HB3 H -9.771 -2.521 -4.042 1.00 . A A . 36 LEU HB3 1 1 4 1406 1 1 8 LEU HD11 H -8.734 -5.616 -6.100 1.00 . A A . 36 LEU HD11 1 1 4 1407 1 1 8 LEU HD12 H -10.396 -5.773 -6.670 1.00 . A A . 36 LEU HD12 1 1 4 1408 1 1 8 LEU HD13 H -10.028 -5.971 -4.956 1.00 . A A . 36 LEU HD13 1 1 4 1409 1 1 8 LEU HD21 H -11.525 -2.501 -6.069 1.00 . A A . 36 LEU HD21 1 1 4 1410 1 1 8 LEU HD22 H -12.090 -3.930 -5.205 1.00 . A A . 36 LEU HD22 1 1 4 1411 1 1 8 LEU HD23 H -11.705 -4.034 -6.922 1.00 . A A . 36 LEU HD23 1 1 4 1412 1 1 8 LEU HG H -9.312 -3.378 -6.270 1.00 . A A . 36 LEU HG 1 1 4 1413 1 1 8 LEU N N -8.057 -3.745 -2.356 1.00 . A A . 36 LEU N 1 1 4 1414 1 1 8 LEU O O -7.450 -2.278 -5.106 1.00 . A A . 36 LEU O 1 1 4 1415 1 1 9 CYS C C -3.790 -4.117 -5.483 1.00 . A A . 37 CYS C 1 1 4 1416 1 1 9 CYS CA C -5.142 -3.489 -5.835 1.00 . A A . 37 CYS CA 1 1 4 1417 1 1 9 CYS CB C -5.068 -1.975 -5.613 1.00 . A A . 37 CYS CB 1 1 4 1418 1 1 9 CYS H H -6.086 -4.987 -4.610 1.00 . A A . 37 CYS H 1 1 4 1419 1 1 9 CYS HA H -5.375 -3.689 -6.869 1.00 . A A . 37 CYS HA 1 1 4 1420 1 1 9 CYS HB2 H -4.086 -1.620 -5.890 1.00 . A A . 37 CYS HB2 1 1 4 1421 1 1 9 CYS HB3 H -5.812 -1.485 -6.225 1.00 . A A . 37 CYS HB3 1 1 4 1422 1 1 9 CYS N N -6.199 -4.081 -4.964 1.00 . A A . 37 CYS N 1 1 4 1423 1 1 9 CYS O O -3.186 -3.785 -4.482 1.00 . A A . 37 CYS O 1 1 4 1424 1 1 9 CYS SG S -5.374 -1.597 -3.871 1.00 . A A . 37 CYS SG 1 1 4 1425 1 1 10 PRO C C -0.901 -4.737 -5.695 1.00 . A A . 38 PRO C 1 1 4 1426 1 1 10 PRO CA C -2.019 -5.713 -6.075 1.00 . A A . 38 PRO CA 1 1 4 1427 1 1 10 PRO CB C -1.721 -6.373 -7.422 1.00 . A A . 38 PRO CB 1 1 4 1428 1 1 10 PRO CD C -3.978 -5.486 -7.534 1.00 . A A . 38 PRO CD 1 1 4 1429 1 1 10 PRO CG C -3.054 -6.589 -8.058 1.00 . A A . 38 PRO CG 1 1 4 1430 1 1 10 PRO HA H -2.125 -6.473 -5.318 1.00 . A A . 38 PRO HA 1 1 4 1431 1 1 10 PRO HB2 H -1.112 -5.718 -8.031 1.00 . A A . 38 PRO HB2 1 1 4 1432 1 1 10 PRO HB3 H -1.225 -7.320 -7.274 1.00 . A A . 38 PRO HB3 1 1 4 1433 1 1 10 PRO HD2 H -4.050 -4.683 -8.254 1.00 . A A . 38 PRO HD2 1 1 4 1434 1 1 10 PRO HD3 H -4.954 -5.885 -7.308 1.00 . A A . 38 PRO HD3 1 1 4 1435 1 1 10 PRO HG2 H -2.963 -6.520 -9.135 1.00 . A A . 38 PRO HG2 1 1 4 1436 1 1 10 PRO HG3 H -3.446 -7.553 -7.779 1.00 . A A . 38 PRO HG3 1 1 4 1437 1 1 10 PRO N N -3.320 -5.022 -6.302 1.00 . A A . 38 PRO N 1 1 4 1438 1 1 10 PRO O O -0.084 -4.365 -6.514 1.00 . A A . 38 PRO O 1 1 4 1439 1 1 11 GLN C C 0.614 -3.683 -2.586 1.00 . A A . 39 GLN C 1 1 4 1440 1 1 11 GLN CA C 0.204 -3.372 -4.028 1.00 . A A . 39 GLN CA 1 1 4 1441 1 1 11 GLN CB C -0.327 -1.940 -4.111 1.00 . A A . 39 GLN CB 1 1 4 1442 1 1 11 GLN CD C 0.443 0.384 -3.608 1.00 . A A . 39 GLN CD 1 1 4 1443 1 1 11 GLN CG C 0.413 -1.059 -3.102 1.00 . A A . 39 GLN CG 1 1 4 1444 1 1 11 GLN H H -1.528 -4.635 -3.813 1.00 . A A . 39 GLN H 1 1 4 1445 1 1 11 GLN HA H 1.063 -3.475 -4.675 1.00 . A A . 39 GLN HA 1 1 4 1446 1 1 11 GLN HB2 H -0.170 -1.555 -5.108 1.00 . A A . 39 GLN HB2 1 1 4 1447 1 1 11 GLN HB3 H -1.382 -1.934 -3.885 1.00 . A A . 39 GLN HB3 1 1 4 1448 1 1 11 GLN HE21 H -1.162 0.165 -4.755 1.00 . A A . 39 GLN HE21 1 1 4 1449 1 1 11 GLN HE22 H -0.457 1.709 -4.782 1.00 . A A . 39 GLN HE22 1 1 4 1450 1 1 11 GLN HG2 H -0.097 -1.097 -2.149 1.00 . A A . 39 GLN HG2 1 1 4 1451 1 1 11 GLN HG3 H 1.424 -1.418 -2.983 1.00 . A A . 39 GLN HG3 1 1 4 1452 1 1 11 GLN N N -0.858 -4.322 -4.458 1.00 . A A . 39 GLN N 1 1 4 1453 1 1 11 GLN NE2 N -0.468 0.786 -4.452 1.00 . A A . 39 GLN NE2 1 1 4 1454 1 1 11 GLN O O -0.211 -3.994 -1.749 1.00 . A A . 39 GLN O 1 1 4 1455 1 1 11 GLN OE1 O 1.305 1.154 -3.232 1.00 . A A . 39 GLN OE1 1 1 4 1456 1 1 12 ARG C C 3.029 -2.644 -0.330 1.00 . A A . 40 ARG C 1 1 4 1457 1 1 12 ARG CA C 2.345 -3.887 -0.902 1.00 . A A . 40 ARG CA 1 1 4 1458 1 1 12 ARG CB C 3.335 -5.051 -0.925 1.00 . A A . 40 ARG CB 1 1 4 1459 1 1 12 ARG CD C 3.713 -6.160 -3.130 1.00 . A A . 40 ARG CD 1 1 4 1460 1 1 12 ARG CG C 2.830 -6.133 -1.881 1.00 . A A . 40 ARG CG 1 1 4 1461 1 1 12 ARG CZ C 2.499 -7.057 -5.027 1.00 . A A . 40 ARG CZ 1 1 4 1462 1 1 12 ARG H H 2.531 -3.345 -2.979 1.00 . A A . 40 ARG H 1 1 4 1463 1 1 12 ARG HA H 1.496 -4.146 -0.287 1.00 . A A . 40 ARG HA 1 1 4 1464 1 1 12 ARG HB2 H 4.300 -4.697 -1.257 1.00 . A A . 40 ARG HB2 1 1 4 1465 1 1 12 ARG HB3 H 3.426 -5.466 0.068 1.00 . A A . 40 ARG HB3 1 1 4 1466 1 1 12 ARG HD2 H 3.612 -5.225 -3.661 1.00 . A A . 40 ARG HD2 1 1 4 1467 1 1 12 ARG HD3 H 4.742 -6.298 -2.838 1.00 . A A . 40 ARG HD3 1 1 4 1468 1 1 12 ARG HE H 3.608 -8.192 -3.835 1.00 . A A . 40 ARG HE 1 1 4 1469 1 1 12 ARG HG2 H 2.869 -7.095 -1.391 1.00 . A A . 40 ARG HG2 1 1 4 1470 1 1 12 ARG HG3 H 1.812 -5.914 -2.167 1.00 . A A . 40 ARG HG3 1 1 4 1471 1 1 12 ARG HH11 H 2.347 -5.092 -4.674 1.00 . A A . 40 ARG HH11 1 1 4 1472 1 1 12 ARG HH12 H 1.465 -5.677 -6.043 1.00 . A A . 40 ARG HH12 1 1 4 1473 1 1 12 ARG HH21 H 2.462 -8.969 -5.618 1.00 . A A . 40 ARG HH21 1 1 4 1474 1 1 12 ARG HH22 H 1.529 -7.871 -6.578 1.00 . A A . 40 ARG HH22 1 1 4 1475 1 1 12 ARG N N 1.883 -3.599 -2.290 1.00 . A A . 40 ARG N 1 1 4 1476 1 1 12 ARG NE N 3.290 -7.283 -4.014 1.00 . A A . 40 ARG NE 1 1 4 1477 1 1 12 ARG NH1 N 2.070 -5.847 -5.267 1.00 . A A . 40 ARG NH1 1 1 4 1478 1 1 12 ARG NH2 N 2.135 -8.043 -5.802 1.00 . A A . 40 ARG NH2 1 1 4 1479 1 1 12 ARG O O 3.756 -1.953 -1.015 1.00 . A A . 40 ARG O 1 1 4 1480 1 1 13 SER C C 3.862 -1.467 2.966 1.00 . A A . 41 SER C 1 1 4 1481 1 1 13 SER CA C 3.439 -1.150 1.531 1.00 . A A . 41 SER CA 1 1 4 1482 1 1 13 SER CB C 2.438 0.006 1.539 1.00 . A A . 41 SER CB 1 1 4 1483 1 1 13 SER H H 2.210 -2.919 1.458 1.00 . A A . 41 SER H 1 1 4 1484 1 1 13 SER HA H 4.306 -0.872 0.953 1.00 . A A . 41 SER HA 1 1 4 1485 1 1 13 SER HB2 H 2.845 0.832 2.099 1.00 . A A . 41 SER HB2 1 1 4 1486 1 1 13 SER HB3 H 2.248 0.322 0.522 1.00 . A A . 41 SER HB3 1 1 4 1487 1 1 13 SER HG H 0.594 -0.606 1.454 1.00 . A A . 41 SER HG 1 1 4 1488 1 1 13 SER N N 2.802 -2.351 0.921 1.00 . A A . 41 SER N 1 1 4 1489 1 1 13 SER O O 3.478 -2.471 3.533 1.00 . A A . 41 SER O 1 1 4 1490 1 1 13 SER OG O 1.229 -0.423 2.150 1.00 . A A . 41 SER OG 1 1 4 1491 1 1 14 ARG C C 4.859 0.399 5.795 1.00 . A A . 42 ARG C 1 1 4 1492 1 1 14 ARG CA C 5.101 -0.859 4.959 1.00 . A A . 42 ARG CA 1 1 4 1493 1 1 14 ARG CB C 6.593 -1.196 4.963 1.00 . A A . 42 ARG CB 1 1 4 1494 1 1 14 ARG CD C 8.357 -2.629 5.999 1.00 . A A . 42 ARG CD 1 1 4 1495 1 1 14 ARG CG C 6.883 -2.223 6.059 1.00 . A A . 42 ARG CG 1 1 4 1496 1 1 14 ARG CZ C 8.759 -4.800 6.999 1.00 . A A . 42 ARG CZ 1 1 4 1497 1 1 14 ARG H H 4.948 0.190 3.085 1.00 . A A . 42 ARG H 1 1 4 1498 1 1 14 ARG HA H 4.543 -1.683 5.378 1.00 . A A . 42 ARG HA 1 1 4 1499 1 1 14 ARG HB2 H 6.871 -1.606 4.002 1.00 . A A . 42 ARG HB2 1 1 4 1500 1 1 14 ARG HB3 H 7.164 -0.300 5.152 1.00 . A A . 42 ARG HB3 1 1 4 1501 1 1 14 ARG HD2 H 8.813 -2.195 5.121 1.00 . A A . 42 ARG HD2 1 1 4 1502 1 1 14 ARG HD3 H 8.864 -2.271 6.881 1.00 . A A . 42 ARG HD3 1 1 4 1503 1 1 14 ARG HE H 8.308 -4.576 5.079 1.00 . A A . 42 ARG HE 1 1 4 1504 1 1 14 ARG HG2 H 6.666 -1.790 7.024 1.00 . A A . 42 ARG HG2 1 1 4 1505 1 1 14 ARG HG3 H 6.265 -3.095 5.908 1.00 . A A . 42 ARG HG3 1 1 4 1506 1 1 14 ARG HH11 H 8.884 -3.195 8.190 1.00 . A A . 42 ARG HH11 1 1 4 1507 1 1 14 ARG HH12 H 9.187 -4.719 8.954 1.00 . A A . 42 ARG HH12 1 1 4 1508 1 1 14 ARG HH21 H 8.700 -6.569 6.062 1.00 . A A . 42 ARG HH21 1 1 4 1509 1 1 14 ARG HH22 H 9.084 -6.628 7.750 1.00 . A A . 42 ARG HH22 1 1 4 1510 1 1 14 ARG N N 4.652 -0.614 3.560 1.00 . A A . 42 ARG N 1 1 4 1511 1 1 14 ARG NE N 8.461 -4.113 5.930 1.00 . A A . 42 ARG NE 1 1 4 1512 1 1 14 ARG NH1 N 8.959 -4.190 8.136 1.00 . A A . 42 ARG NH1 1 1 4 1513 1 1 14 ARG NH2 N 8.855 -6.100 6.932 1.00 . A A . 42 ARG NH2 1 1 4 1514 1 1 14 ARG O O 4.293 0.345 6.869 1.00 . A A . 42 ARG O 1 1 4 1515 1 1 15 ASP C C 3.844 3.520 5.521 1.00 . A A . 43 ASP C 1 1 4 1516 1 1 15 ASP CA C 5.074 2.796 6.070 1.00 . A A . 43 ASP CA 1 1 4 1517 1 1 15 ASP CB C 6.305 3.693 5.920 1.00 . A A . 43 ASP CB 1 1 4 1518 1 1 15 ASP CG C 6.430 4.600 7.145 1.00 . A A . 43 ASP CG 1 1 4 1519 1 1 15 ASP H H 5.734 1.556 4.439 1.00 . A A . 43 ASP H 1 1 4 1520 1 1 15 ASP HA H 4.921 2.566 7.114 1.00 . A A . 43 ASP HA 1 1 4 1521 1 1 15 ASP HB2 H 7.189 3.078 5.833 1.00 . A A . 43 ASP HB2 1 1 4 1522 1 1 15 ASP HB3 H 6.201 4.301 5.034 1.00 . A A . 43 ASP HB3 1 1 4 1523 1 1 15 ASP N N 5.282 1.533 5.308 1.00 . A A . 43 ASP N 1 1 4 1524 1 1 15 ASP O O 3.610 3.547 4.329 1.00 . A A . 43 ASP O 1 1 4 1525 1 1 15 ASP OD1 O 5.504 4.622 7.938 1.00 . A A . 43 ASP OD1 1 1 4 1526 1 1 15 ASP OD2 O 7.451 5.257 7.269 1.00 . A A . 43 ASP OD2 1 1 4 1527 1 1 16 PHE C C 2.235 5.830 4.815 1.00 . A A . 44 PHE C 1 1 4 1528 1 1 16 PHE CA C 1.840 4.823 5.898 1.00 . A A . 44 PHE CA 1 1 4 1529 1 1 16 PHE CB C 1.184 5.561 7.066 1.00 . A A . 44 PHE CB 1 1 4 1530 1 1 16 PHE CD1 C -1.094 4.494 6.898 1.00 . A A . 44 PHE CD1 1 1 4 1531 1 1 16 PHE CD2 C -0.898 6.884 6.546 1.00 . A A . 44 PHE CD2 1 1 4 1532 1 1 16 PHE CE1 C -2.474 4.575 6.680 1.00 . A A . 44 PHE CE1 1 1 4 1533 1 1 16 PHE CE2 C -2.279 6.966 6.329 1.00 . A A . 44 PHE CE2 1 1 4 1534 1 1 16 PHE CG C -0.305 5.649 6.831 1.00 . A A . 44 PHE CG 1 1 4 1535 1 1 16 PHE CZ C -3.066 5.811 6.395 1.00 . A A . 44 PHE CZ 1 1 4 1536 1 1 16 PHE H H 3.257 4.072 7.336 1.00 . A A . 44 PHE H 1 1 4 1537 1 1 16 PHE HA H 1.141 4.110 5.486 1.00 . A A . 44 PHE HA 1 1 4 1538 1 1 16 PHE HB2 H 1.374 5.023 7.983 1.00 . A A . 44 PHE HB2 1 1 4 1539 1 1 16 PHE HB3 H 1.595 6.556 7.141 1.00 . A A . 44 PHE HB3 1 1 4 1540 1 1 16 PHE HD1 H -0.638 3.539 7.117 1.00 . A A . 44 PHE HD1 1 1 4 1541 1 1 16 PHE HD2 H -0.290 7.776 6.494 1.00 . A A . 44 PHE HD2 1 1 4 1542 1 1 16 PHE HE1 H -3.083 3.684 6.731 1.00 . A A . 44 PHE HE1 1 1 4 1543 1 1 16 PHE HE2 H -2.735 7.919 6.109 1.00 . A A . 44 PHE HE2 1 1 4 1544 1 1 16 PHE HZ H -4.131 5.873 6.226 1.00 . A A . 44 PHE HZ 1 1 4 1545 1 1 16 PHE N N 3.053 4.106 6.378 1.00 . A A . 44 PHE N 1 1 4 1546 1 1 16 PHE O O 1.453 6.156 3.943 1.00 . A A . 44 PHE O 1 1 4 1547 1 1 17 SER C C 3.742 6.684 2.442 1.00 . A A . 45 SER C 1 1 4 1548 1 1 17 SER CA C 3.882 7.307 3.832 1.00 . A A . 45 SER CA 1 1 4 1549 1 1 17 SER CB C 5.343 7.683 4.076 1.00 . A A . 45 SER CB 1 1 4 1550 1 1 17 SER H H 4.058 6.047 5.570 1.00 . A A . 45 SER H 1 1 4 1551 1 1 17 SER HA H 3.267 8.193 3.894 1.00 . A A . 45 SER HA 1 1 4 1552 1 1 17 SER HB2 H 5.393 8.597 4.644 1.00 . A A . 45 SER HB2 1 1 4 1553 1 1 17 SER HB3 H 5.830 6.891 4.632 1.00 . A A . 45 SER HB3 1 1 4 1554 1 1 17 SER HG H 6.935 7.970 2.995 1.00 . A A . 45 SER HG 1 1 4 1555 1 1 17 SER N N 3.442 6.323 4.861 1.00 . A A . 45 SER N 1 1 4 1556 1 1 17 SER O O 3.280 7.316 1.511 1.00 . A A . 45 SER O 1 1 4 1557 1 1 17 SER OG O 5.995 7.872 2.827 1.00 . A A . 45 SER OG 1 1 4 1558 1 1 18 ALA C C 2.589 4.295 0.759 1.00 . A A . 46 ALA C 1 1 4 1559 1 1 18 ALA CA C 4.022 4.787 0.961 1.00 . A A . 46 ALA CA 1 1 4 1560 1 1 18 ALA CB C 4.983 3.598 0.902 1.00 . A A . 46 ALA CB 1 1 4 1561 1 1 18 ALA H H 4.503 4.957 3.055 1.00 . A A . 46 ALA H 1 1 4 1562 1 1 18 ALA HA H 4.274 5.494 0.184 1.00 . A A . 46 ALA HA 1 1 4 1563 1 1 18 ALA HB1 H 4.583 2.782 1.485 1.00 . A A . 46 ALA HB1 1 1 4 1564 1 1 18 ALA HB2 H 5.943 3.890 1.302 1.00 . A A . 46 ALA HB2 1 1 4 1565 1 1 18 ALA HB3 H 5.102 3.282 -0.124 1.00 . A A . 46 ALA HB3 1 1 4 1566 1 1 18 ALA N N 4.135 5.449 2.292 1.00 . A A . 46 ALA N 1 1 4 1567 1 1 18 ALA O O 2.058 4.333 -0.332 1.00 . A A . 46 ALA O 1 1 4 1568 1 1 19 MET C C -0.367 4.524 1.367 1.00 . A A . 47 MET C 1 1 4 1569 1 1 19 MET CA C 0.557 3.344 1.669 1.00 . A A . 47 MET CA 1 1 4 1570 1 1 19 MET CB C 0.120 2.675 2.974 1.00 . A A . 47 MET CB 1 1 4 1571 1 1 19 MET CE C -2.191 0.897 5.060 1.00 . A A . 47 MET CE 1 1 4 1572 1 1 19 MET CG C -1.230 1.986 2.767 1.00 . A A . 47 MET CG 1 1 4 1573 1 1 19 MET H H 2.402 3.815 2.677 1.00 . A A . 47 MET H 1 1 4 1574 1 1 19 MET HA H 0.503 2.629 0.862 1.00 . A A . 47 MET HA 1 1 4 1575 1 1 19 MET HB2 H 0.858 1.943 3.268 1.00 . A A . 47 MET HB2 1 1 4 1576 1 1 19 MET HB3 H 0.025 3.422 3.747 1.00 . A A . 47 MET HB3 1 1 4 1577 1 1 19 MET HE1 H -2.939 0.875 5.841 1.00 . A A . 47 MET HE1 1 1 4 1578 1 1 19 MET HE2 H -1.204 0.846 5.500 1.00 . A A . 47 MET HE2 1 1 4 1579 1 1 19 MET HE3 H -2.334 0.054 4.404 1.00 . A A . 47 MET HE3 1 1 4 1580 1 1 19 MET HG2 H -1.656 2.304 1.826 1.00 . A A . 47 MET HG2 1 1 4 1581 1 1 19 MET HG3 H -1.090 0.916 2.754 1.00 . A A . 47 MET HG3 1 1 4 1582 1 1 19 MET N N 1.956 3.835 1.805 1.00 . A A . 47 MET N 1 1 4 1583 1 1 19 MET O O -1.431 4.363 0.805 1.00 . A A . 47 MET O 1 1 4 1584 1 1 19 MET SD S -2.350 2.432 4.117 1.00 . A A . 47 MET SD 1 1 4 1585 1 1 20 THR C C -0.808 7.205 -0.036 1.00 . A A . 48 THR C 1 1 4 1586 1 1 20 THR CA C -0.825 6.899 1.462 1.00 . A A . 48 THR CA 1 1 4 1587 1 1 20 THR CB C -0.293 8.107 2.230 1.00 . A A . 48 THR CB 1 1 4 1588 1 1 20 THR CG2 C -0.732 8.022 3.692 1.00 . A A . 48 THR CG2 1 1 4 1589 1 1 20 THR H H 0.895 5.822 2.184 1.00 . A A . 48 THR H 1 1 4 1590 1 1 20 THR HA H -1.837 6.691 1.775 1.00 . A A . 48 THR HA 1 1 4 1591 1 1 20 THR HB H -0.689 9.009 1.791 1.00 . A A . 48 THR HB 1 1 4 1592 1 1 20 THR HG1 H 1.411 9.042 2.168 1.00 . A A . 48 THR HG1 1 1 4 1593 1 1 20 THR HG21 H 0.100 8.273 4.333 1.00 . A A . 48 THR HG21 1 1 4 1594 1 1 20 THR HG22 H -1.064 7.017 3.910 1.00 . A A . 48 THR HG22 1 1 4 1595 1 1 20 THR HG23 H -1.542 8.714 3.866 1.00 . A A . 48 THR HG23 1 1 4 1596 1 1 20 THR N N 0.033 5.712 1.732 1.00 . A A . 48 THR N 1 1 4 1597 1 1 20 THR O O -1.839 7.298 -0.671 1.00 . A A . 48 THR O 1 1 4 1598 1 1 20 THR OG1 O 1.126 8.126 2.158 1.00 . A A . 48 THR OG1 1 1 4 1599 1 1 21 LYS C C -0.419 6.600 -2.794 1.00 . A A . 49 LYS C 1 1 4 1600 1 1 21 LYS CA C 0.419 7.642 -2.069 1.00 . A A . 49 LYS CA 1 1 4 1601 1 1 21 LYS CB C 1.868 7.552 -2.551 1.00 . A A . 49 LYS CB 1 1 4 1602 1 1 21 LYS CD C 2.808 9.628 -3.577 1.00 . A A . 49 LYS CD 1 1 4 1603 1 1 21 LYS CE C 4.041 9.068 -4.289 1.00 . A A . 49 LYS CE 1 1 4 1604 1 1 21 LYS CG C 2.587 8.872 -2.266 1.00 . A A . 49 LYS CG 1 1 4 1605 1 1 21 LYS H H 1.178 7.269 -0.087 1.00 . A A . 49 LYS H 1 1 4 1606 1 1 21 LYS HA H 0.028 8.630 -2.264 1.00 . A A . 49 LYS HA 1 1 4 1607 1 1 21 LYS HB2 H 2.369 6.747 -2.034 1.00 . A A . 49 LYS HB2 1 1 4 1608 1 1 21 LYS HB3 H 1.880 7.361 -3.614 1.00 . A A . 49 LYS HB3 1 1 4 1609 1 1 21 LYS HD2 H 1.940 9.509 -4.211 1.00 . A A . 49 LYS HD2 1 1 4 1610 1 1 21 LYS HD3 H 2.961 10.676 -3.368 1.00 . A A . 49 LYS HD3 1 1 4 1611 1 1 21 LYS HE2 H 4.931 9.524 -3.879 1.00 . A A . 49 LYS HE2 1 1 4 1612 1 1 21 LYS HE3 H 4.085 7.998 -4.143 1.00 . A A . 49 LYS HE3 1 1 4 1613 1 1 21 LYS HG2 H 1.983 9.474 -1.600 1.00 . A A . 49 LYS HG2 1 1 4 1614 1 1 21 LYS HG3 H 3.541 8.671 -1.803 1.00 . A A . 49 LYS HG3 1 1 4 1615 1 1 21 LYS HZ1 H 4.912 9.397 -6.151 1.00 . A A . 49 LYS HZ1 1 1 4 1616 1 1 21 LYS HZ2 H 3.495 10.289 -5.884 1.00 . A A . 49 LYS HZ2 1 1 4 1617 1 1 21 LYS HZ3 H 3.399 8.626 -6.220 1.00 . A A . 49 LYS HZ3 1 1 4 1618 1 1 21 LYS N N 0.355 7.354 -0.611 1.00 . A A . 49 LYS N 1 1 4 1619 1 1 21 LYS NZ N 3.955 9.368 -5.746 1.00 . A A . 49 LYS NZ 1 1 4 1620 1 1 21 LYS O O -1.086 6.882 -3.769 1.00 . A A . 49 LYS O 1 1 4 1621 1 1 22 HIS C C -2.648 4.769 -3.059 1.00 . A A . 50 HIS C 1 1 4 1622 1 1 22 HIS CA C -1.191 4.316 -2.948 1.00 . A A . 50 HIS CA 1 1 4 1623 1 1 22 HIS CB C -1.114 3.052 -2.091 1.00 . A A . 50 HIS CB 1 1 4 1624 1 1 22 HIS CD2 C -3.100 1.526 -1.296 1.00 . A A . 50 HIS CD2 1 1 4 1625 1 1 22 HIS CE1 C -4.309 1.644 -3.088 1.00 . A A . 50 HIS CE1 1 1 4 1626 1 1 22 HIS CG C -2.420 2.318 -2.186 1.00 . A A . 50 HIS CG 1 1 4 1627 1 1 22 HIS H H 0.148 5.193 -1.517 1.00 . A A . 50 HIS H 1 1 4 1628 1 1 22 HIS HA H -0.798 4.110 -3.933 1.00 . A A . 50 HIS HA 1 1 4 1629 1 1 22 HIS HB2 H -0.315 2.420 -2.449 1.00 . A A . 50 HIS HB2 1 1 4 1630 1 1 22 HIS HB3 H -0.928 3.325 -1.063 1.00 . A A . 50 HIS HB3 1 1 4 1631 1 1 22 HIS HD1 H -3.003 2.865 -4.145 1.00 . A A . 50 HIS HD1 1 1 4 1632 1 1 22 HIS HD2 H -2.759 1.272 -0.302 1.00 . A A . 50 HIS HD2 1 1 4 1633 1 1 22 HIS HE1 H -5.108 1.514 -3.799 1.00 . A A . 50 HIS HE1 1 1 4 1634 1 1 22 HIS N N -0.394 5.391 -2.310 1.00 . A A . 50 HIS N 1 1 4 1635 1 1 22 HIS ND1 N -3.210 2.377 -3.321 1.00 . A A . 50 HIS ND1 1 1 4 1636 1 1 22 HIS NE2 N -4.294 1.101 -1.868 1.00 . A A . 50 HIS NE2 1 1 4 1637 1 1 22 HIS O O -3.272 4.631 -4.091 1.00 . A A . 50 HIS O 1 1 4 1638 1 1 23 LEU C C -4.694 6.953 -3.044 1.00 . A A . 51 LEU C 1 1 4 1639 1 1 23 LEU CA C -4.611 5.774 -2.075 1.00 . A A . 51 LEU CA 1 1 4 1640 1 1 23 LEU CB C -5.087 6.211 -0.687 1.00 . A A . 51 LEU CB 1 1 4 1641 1 1 23 LEU CD1 C -4.692 6.005 1.773 1.00 . A A . 51 LEU CD1 1 1 4 1642 1 1 23 LEU CD2 C -4.331 4.035 0.282 1.00 . A A . 51 LEU CD2 1 1 4 1643 1 1 23 LEU CG C -4.217 5.557 0.390 1.00 . A A . 51 LEU CG 1 1 4 1644 1 1 23 LEU H H -2.679 5.425 -1.181 1.00 . A A . 51 LEU H 1 1 4 1645 1 1 23 LEU HA H -5.236 4.968 -2.437 1.00 . A A . 51 LEU HA 1 1 4 1646 1 1 23 LEU HB2 H -5.015 7.285 -0.605 1.00 . A A . 51 LEU HB2 1 1 4 1647 1 1 23 LEU HB3 H -6.114 5.906 -0.549 1.00 . A A . 51 LEU HB3 1 1 4 1648 1 1 23 LEU HD11 H -4.291 5.341 2.524 1.00 . A A . 51 LEU HD11 1 1 4 1649 1 1 23 LEU HD12 H -5.771 5.981 1.809 1.00 . A A . 51 LEU HD12 1 1 4 1650 1 1 23 LEU HD13 H -4.349 7.012 1.963 1.00 . A A . 51 LEU HD13 1 1 4 1651 1 1 23 LEU HD21 H -3.523 3.573 0.830 1.00 . A A . 51 LEU HD21 1 1 4 1652 1 1 23 LEU HD22 H -4.278 3.742 -0.756 1.00 . A A . 51 LEU HD22 1 1 4 1653 1 1 23 LEU HD23 H -5.276 3.714 0.697 1.00 . A A . 51 LEU HD23 1 1 4 1654 1 1 23 LEU HG H -3.188 5.854 0.251 1.00 . A A . 51 LEU HG 1 1 4 1655 1 1 23 LEU N N -3.197 5.314 -2.008 1.00 . A A . 51 LEU N 1 1 4 1656 1 1 23 LEU O O -5.659 7.114 -3.761 1.00 . A A . 51 LEU O 1 1 4 1657 1 1 24 ARG C C -3.336 8.411 -5.415 1.00 . A A . 52 ARG C 1 1 4 1658 1 1 24 ARG CA C -3.683 8.923 -4.019 1.00 . A A . 52 ARG CA 1 1 4 1659 1 1 24 ARG CB C -2.643 9.953 -3.575 1.00 . A A . 52 ARG CB 1 1 4 1660 1 1 24 ARG CD C -2.335 11.650 -1.765 1.00 . A A . 52 ARG CD 1 1 4 1661 1 1 24 ARG CG C -2.805 10.229 -2.078 1.00 . A A . 52 ARG CG 1 1 4 1662 1 1 24 ARG CZ C -2.727 13.872 -2.645 1.00 . A A . 52 ARG CZ 1 1 4 1663 1 1 24 ARG H H -2.900 7.611 -2.503 1.00 . A A . 52 ARG H 1 1 4 1664 1 1 24 ARG HA H -4.664 9.375 -4.031 1.00 . A A . 52 ARG HA 1 1 4 1665 1 1 24 ARG HB2 H -1.652 9.569 -3.765 1.00 . A A . 52 ARG HB2 1 1 4 1666 1 1 24 ARG HB3 H -2.787 10.871 -4.125 1.00 . A A . 52 ARG HB3 1 1 4 1667 1 1 24 ARG HD2 H -2.507 11.864 -0.720 1.00 . A A . 52 ARG HD2 1 1 4 1668 1 1 24 ARG HD3 H -1.281 11.736 -1.982 1.00 . A A . 52 ARG HD3 1 1 4 1669 1 1 24 ARG HE H -3.869 12.318 -3.121 1.00 . A A . 52 ARG HE 1 1 4 1670 1 1 24 ARG HG2 H -3.845 10.123 -1.804 1.00 . A A . 52 ARG HG2 1 1 4 1671 1 1 24 ARG HG3 H -2.212 9.523 -1.516 1.00 . A A . 52 ARG HG3 1 1 4 1672 1 1 24 ARG HH11 H -1.188 13.621 -1.391 1.00 . A A . 52 ARG HH11 1 1 4 1673 1 1 24 ARG HH12 H -1.415 15.232 -1.986 1.00 . A A . 52 ARG HH12 1 1 4 1674 1 1 24 ARG HH21 H -4.181 14.414 -3.910 1.00 . A A . 52 ARG HH21 1 1 4 1675 1 1 24 ARG HH22 H -3.110 15.680 -3.414 1.00 . A A . 52 ARG HH22 1 1 4 1676 1 1 24 ARG N N -3.675 7.768 -3.081 1.00 . A A . 52 ARG N 1 1 4 1677 1 1 24 ARG NE N -3.095 12.620 -2.603 1.00 . A A . 52 ARG NE 1 1 4 1678 1 1 24 ARG NH1 N -1.696 14.273 -1.954 1.00 . A A . 52 ARG NH1 1 1 4 1679 1 1 24 ARG NH2 N -3.391 14.722 -3.381 1.00 . A A . 52 ARG NH2 1 1 4 1680 1 1 24 ARG O O -3.656 9.022 -6.415 1.00 . A A . 52 ARG O 1 1 4 1681 1 1 25 THR C C -3.459 5.789 -7.279 1.00 . A A . 53 THR C 1 1 4 1682 1 1 25 THR CA C -2.324 6.701 -6.807 1.00 . A A . 53 THR CA 1 1 4 1683 1 1 25 THR CB C -1.027 5.892 -6.670 1.00 . A A . 53 THR CB 1 1 4 1684 1 1 25 THR CG2 C -1.354 4.399 -6.568 1.00 . A A . 53 THR CG2 1 1 4 1685 1 1 25 THR H H -2.452 6.800 -4.663 1.00 . A A . 53 THR H 1 1 4 1686 1 1 25 THR HA H -2.180 7.498 -7.522 1.00 . A A . 53 THR HA 1 1 4 1687 1 1 25 THR HB H -0.500 6.202 -5.779 1.00 . A A . 53 THR HB 1 1 4 1688 1 1 25 THR HG1 H -0.158 7.068 -7.950 1.00 . A A . 53 THR HG1 1 1 4 1689 1 1 25 THR HG21 H -2.176 4.256 -5.883 1.00 . A A . 53 THR HG21 1 1 4 1690 1 1 25 THR HG22 H -0.488 3.864 -6.208 1.00 . A A . 53 THR HG22 1 1 4 1691 1 1 25 THR HG23 H -1.629 4.023 -7.542 1.00 . A A . 53 THR HG23 1 1 4 1692 1 1 25 THR N N -2.689 7.277 -5.485 1.00 . A A . 53 THR N 1 1 4 1693 1 1 25 THR O O -3.522 5.397 -8.428 1.00 . A A . 53 THR O 1 1 4 1694 1 1 25 THR OG1 O -0.207 6.120 -7.807 1.00 . A A . 53 THR OG1 1 1 4 1695 1 1 26 HIS C C -5.970 4.933 -8.187 1.00 . A A . 54 HIS C 1 1 4 1696 1 1 26 HIS CA C -5.496 4.570 -6.778 1.00 . A A . 54 HIS CA 1 1 4 1697 1 1 26 HIS CB C -6.645 4.765 -5.784 1.00 . A A . 54 HIS CB 1 1 4 1698 1 1 26 HIS CD2 C -7.090 3.198 -3.720 1.00 . A A . 54 HIS CD2 1 1 4 1699 1 1 26 HIS CE1 C -7.275 1.320 -4.787 1.00 . A A . 54 HIS CE1 1 1 4 1700 1 1 26 HIS CG C -6.911 3.477 -5.053 1.00 . A A . 54 HIS CG 1 1 4 1701 1 1 26 HIS H H -4.286 5.783 -5.474 1.00 . A A . 54 HIS H 1 1 4 1702 1 1 26 HIS HA H -5.174 3.539 -6.760 1.00 . A A . 54 HIS HA 1 1 4 1703 1 1 26 HIS HB2 H -6.379 5.533 -5.074 1.00 . A A . 54 HIS HB2 1 1 4 1704 1 1 26 HIS HB3 H -7.535 5.064 -6.319 1.00 . A A . 54 HIS HB3 1 1 4 1705 1 1 26 HIS HD1 H -6.948 2.123 -6.678 1.00 . A A . 54 HIS HD1 1 1 4 1706 1 1 26 HIS HD2 H -7.058 3.924 -2.921 1.00 . A A . 54 HIS HD2 1 1 4 1707 1 1 26 HIS HE1 H -7.417 0.273 -5.013 1.00 . A A . 54 HIS HE1 1 1 4 1708 1 1 26 HIS N N -4.359 5.453 -6.394 1.00 . A A . 54 HIS N 1 1 4 1709 1 1 26 HIS ND1 N -7.031 2.265 -5.714 1.00 . A A . 54 HIS ND1 1 1 4 1710 1 1 26 HIS NE2 N -7.321 1.834 -3.555 1.00 . A A . 54 HIS NE2 1 1 4 1711 1 1 26 HIS O O -6.391 6.043 -8.442 1.00 . A A . 54 HIS O 1 1 4 1712 1 1 27 GLY C C -6.059 3.100 -11.392 1.00 . A A . 55 GLY C 1 1 4 1713 1 1 27 GLY CA C -6.353 4.302 -10.493 1.00 . A A . 55 GLY CA 1 1 4 1714 1 1 27 GLY H H -5.563 3.117 -8.877 1.00 . A A . 55 GLY H 1 1 4 1715 1 1 27 GLY HA2 H -7.414 4.504 -10.494 1.00 . A A . 55 GLY HA2 1 1 4 1716 1 1 27 GLY HA3 H -5.822 5.165 -10.867 1.00 . A A . 55 GLY HA3 1 1 4 1717 1 1 27 GLY N N -5.905 4.006 -9.103 1.00 . A A . 55 GLY N 1 1 4 1718 1 1 27 GLY O O -5.194 3.219 -12.243 1.00 . A A . 55 GLY O 1 1 4 1719 1 1 27 GLY OXT O -6.704 2.080 -11.213 1.00 . A A . 55 GLY OXT 1 1 4 1720 2 2 1 ZN ZN ZN -5.990 0.431 -2.821 1.00 . B A . 84 ZN ZN 1 1 5 1721 1 1 1 GLU C C 5.413 -11.979 4.510 1.00 . A A . 29 GLU C 1 1 5 1722 1 1 1 GLU CA C 6.581 -12.799 5.059 1.00 . A A . 29 GLU CA 1 1 5 1723 1 1 1 GLU CB C 7.894 -12.257 4.493 1.00 . A A . 29 GLU CB 1 1 5 1724 1 1 1 GLU CD C 9.334 -10.227 4.722 1.00 . A A . 29 GLU CD 1 1 5 1725 1 1 1 GLU CG C 7.896 -10.730 4.583 1.00 . A A . 29 GLU CG 1 1 5 1726 1 1 1 GLU H1 H 5.740 -14.291 3.874 1.00 . A A . 29 GLU H1 1 1 5 1727 1 1 1 GLU H2 H 6.062 -14.773 5.472 1.00 . A A . 29 GLU H2 1 1 5 1728 1 1 1 GLU H3 H 7.335 -14.610 4.359 1.00 . A A . 29 GLU H3 1 1 5 1729 1 1 1 GLU HA H 6.596 -12.726 6.137 1.00 . A A . 29 GLU HA 1 1 5 1730 1 1 1 GLU HB2 H 8.722 -12.654 5.062 1.00 . A A . 29 GLU HB2 1 1 5 1731 1 1 1 GLU HB3 H 7.992 -12.554 3.460 1.00 . A A . 29 GLU HB3 1 1 5 1732 1 1 1 GLU HG2 H 7.454 -10.316 3.688 1.00 . A A . 29 GLU HG2 1 1 5 1733 1 1 1 GLU HG3 H 7.324 -10.419 5.445 1.00 . A A . 29 GLU HG3 1 1 5 1734 1 1 1 GLU N N 6.417 -14.226 4.662 1.00 . A A . 29 GLU N 1 1 5 1735 1 1 1 GLU O O 5.405 -11.581 3.362 1.00 . A A . 29 GLU O 1 1 5 1736 1 1 1 GLU OE1 O 10.226 -11.057 4.792 1.00 . A A . 29 GLU OE1 1 1 5 1737 1 1 1 GLU OE2 O 9.519 -9.022 4.757 1.00 . A A . 29 GLU OE2 1 1 5 1738 1 1 2 LYS C C 3.180 -9.617 5.636 1.00 . A A . 30 LYS C 1 1 5 1739 1 1 2 LYS CA C 3.257 -10.927 4.846 1.00 . A A . 30 LYS CA 1 1 5 1740 1 1 2 LYS CB C 1.973 -11.729 5.064 1.00 . A A . 30 LYS CB 1 1 5 1741 1 1 2 LYS CD C 1.007 -14.031 5.176 1.00 . A A . 30 LYS CD 1 1 5 1742 1 1 2 LYS CE C 1.299 -15.399 5.795 1.00 . A A . 30 LYS CE 1 1 5 1743 1 1 2 LYS CG C 2.302 -13.223 5.086 1.00 . A A . 30 LYS CG 1 1 5 1744 1 1 2 LYS H H 4.448 -12.052 6.244 1.00 . A A . 30 LYS H 1 1 5 1745 1 1 2 LYS HA H 3.372 -10.712 3.795 1.00 . A A . 30 LYS HA 1 1 5 1746 1 1 2 LYS HB2 H 1.526 -11.444 6.005 1.00 . A A . 30 LYS HB2 1 1 5 1747 1 1 2 LYS HB3 H 1.281 -11.527 4.261 1.00 . A A . 30 LYS HB3 1 1 5 1748 1 1 2 LYS HD2 H 0.294 -13.501 5.792 1.00 . A A . 30 LYS HD2 1 1 5 1749 1 1 2 LYS HD3 H 0.597 -14.167 4.186 1.00 . A A . 30 LYS HD3 1 1 5 1750 1 1 2 LYS HE2 H 1.795 -15.265 6.746 1.00 . A A . 30 LYS HE2 1 1 5 1751 1 1 2 LYS HE3 H 0.372 -15.932 5.945 1.00 . A A . 30 LYS HE3 1 1 5 1752 1 1 2 LYS HG2 H 2.830 -13.487 4.181 1.00 . A A . 30 LYS HG2 1 1 5 1753 1 1 2 LYS HG3 H 2.922 -13.444 5.942 1.00 . A A . 30 LYS HG3 1 1 5 1754 1 1 2 LYS HZ1 H 2.948 -16.616 5.430 1.00 . A A . 30 LYS HZ1 1 1 5 1755 1 1 2 LYS HZ2 H 2.586 -15.545 4.166 1.00 . A A . 30 LYS HZ2 1 1 5 1756 1 1 2 LYS HZ3 H 1.622 -16.922 4.413 1.00 . A A . 30 LYS HZ3 1 1 5 1757 1 1 2 LYS N N 4.424 -11.722 5.321 1.00 . A A . 30 LYS N 1 1 5 1758 1 1 2 LYS NZ N 2.180 -16.180 4.882 1.00 . A A . 30 LYS NZ 1 1 5 1759 1 1 2 LYS O O 2.664 -9.579 6.735 1.00 . A A . 30 LYS O 1 1 5 1760 1 1 3 PRO C C 2.318 -6.539 5.664 1.00 . A A . 31 PRO C 1 1 5 1761 1 1 3 PRO CA C 3.689 -7.218 5.739 1.00 . A A . 31 PRO CA 1 1 5 1762 1 1 3 PRO CB C 4.728 -6.420 4.951 1.00 . A A . 31 PRO CB 1 1 5 1763 1 1 3 PRO CD C 4.336 -8.505 3.755 1.00 . A A . 31 PRO CD 1 1 5 1764 1 1 3 PRO CG C 4.771 -7.045 3.595 1.00 . A A . 31 PRO CG 1 1 5 1765 1 1 3 PRO HA H 4.006 -7.307 6.765 1.00 . A A . 31 PRO HA 1 1 5 1766 1 1 3 PRO HB2 H 4.426 -5.384 4.880 1.00 . A A . 31 PRO HB2 1 1 5 1767 1 1 3 PRO HB3 H 5.695 -6.498 5.423 1.00 . A A . 31 PRO HB3 1 1 5 1768 1 1 3 PRO HD2 H 3.632 -8.773 2.980 1.00 . A A . 31 PRO HD2 1 1 5 1769 1 1 3 PRO HD3 H 5.194 -9.160 3.734 1.00 . A A . 31 PRO HD3 1 1 5 1770 1 1 3 PRO HG2 H 4.093 -6.526 2.931 1.00 . A A . 31 PRO HG2 1 1 5 1771 1 1 3 PRO HG3 H 5.774 -7.008 3.203 1.00 . A A . 31 PRO HG3 1 1 5 1772 1 1 3 PRO N N 3.694 -8.552 5.079 1.00 . A A . 31 PRO N 1 1 5 1773 1 1 3 PRO O O 1.427 -6.832 6.436 1.00 . A A . 31 PRO O 1 1 5 1774 1 1 4 PHE C C 0.503 -4.712 3.143 1.00 . A A . 32 PHE C 1 1 5 1775 1 1 4 PHE CA C 0.829 -4.940 4.621 1.00 . A A . 32 PHE CA 1 1 5 1776 1 1 4 PHE CB C 0.894 -3.594 5.344 1.00 . A A . 32 PHE CB 1 1 5 1777 1 1 4 PHE CD1 C 1.740 -4.216 7.637 1.00 . A A . 32 PHE CD1 1 1 5 1778 1 1 4 PHE CD2 C -0.588 -3.590 7.383 1.00 . A A . 32 PHE CD2 1 1 5 1779 1 1 4 PHE CE1 C 1.539 -4.411 9.009 1.00 . A A . 32 PHE CE1 1 1 5 1780 1 1 4 PHE CE2 C -0.791 -3.785 8.755 1.00 . A A . 32 PHE CE2 1 1 5 1781 1 1 4 PHE CG C 0.677 -3.805 6.824 1.00 . A A . 32 PHE CG 1 1 5 1782 1 1 4 PHE CZ C 0.273 -4.195 9.567 1.00 . A A . 32 PHE CZ 1 1 5 1783 1 1 4 PHE H H 2.872 -5.411 4.126 1.00 . A A . 32 PHE H 1 1 5 1784 1 1 4 PHE HA H 0.058 -5.551 5.067 1.00 . A A . 32 PHE HA 1 1 5 1785 1 1 4 PHE HB2 H 1.864 -3.146 5.183 1.00 . A A . 32 PHE HB2 1 1 5 1786 1 1 4 PHE HB3 H 0.127 -2.939 4.959 1.00 . A A . 32 PHE HB3 1 1 5 1787 1 1 4 PHE HD1 H 2.716 -4.381 7.206 1.00 . A A . 32 PHE HD1 1 1 5 1788 1 1 4 PHE HD2 H -1.409 -3.272 6.756 1.00 . A A . 32 PHE HD2 1 1 5 1789 1 1 4 PHE HE1 H 2.358 -4.727 9.635 1.00 . A A . 32 PHE HE1 1 1 5 1790 1 1 4 PHE HE2 H -1.767 -3.618 9.186 1.00 . A A . 32 PHE HE2 1 1 5 1791 1 1 4 PHE HZ H 0.117 -4.346 10.626 1.00 . A A . 32 PHE HZ 1 1 5 1792 1 1 4 PHE N N 2.142 -5.633 4.740 1.00 . A A . 32 PHE N 1 1 5 1793 1 1 4 PHE O O 1.118 -3.899 2.480 1.00 . A A . 32 PHE O 1 1 5 1794 1 1 5 SER C C -2.167 -4.513 1.091 1.00 . A A . 33 SER C 1 1 5 1795 1 1 5 SER CA C -0.826 -5.244 1.187 1.00 . A A . 33 SER CA 1 1 5 1796 1 1 5 SER CB C -0.943 -6.613 0.518 1.00 . A A . 33 SER CB 1 1 5 1797 1 1 5 SER H H -0.944 -6.071 3.173 1.00 . A A . 33 SER H 1 1 5 1798 1 1 5 SER HA H -0.062 -4.664 0.691 1.00 . A A . 33 SER HA 1 1 5 1799 1 1 5 SER HB2 H -1.044 -6.487 -0.547 1.00 . A A . 33 SER HB2 1 1 5 1800 1 1 5 SER HB3 H -0.052 -7.192 0.727 1.00 . A A . 33 SER HB3 1 1 5 1801 1 1 5 SER HG H -1.910 -7.539 1.930 1.00 . A A . 33 SER HG 1 1 5 1802 1 1 5 SER N N -0.460 -5.421 2.621 1.00 . A A . 33 SER N 1 1 5 1803 1 1 5 SER O O -2.904 -4.422 2.052 1.00 . A A . 33 SER O 1 1 5 1804 1 1 5 SER OG O -2.089 -7.286 1.022 1.00 . A A . 33 SER OG 1 1 5 1805 1 1 6 CYS C C -4.904 -4.275 -0.483 1.00 . A A . 34 CYS C 1 1 5 1806 1 1 6 CYS CA C -3.784 -3.269 -0.211 1.00 . A A . 34 CYS CA 1 1 5 1807 1 1 6 CYS CB C -3.687 -2.283 -1.377 1.00 . A A . 34 CYS CB 1 1 5 1808 1 1 6 CYS H H -1.880 -4.075 -0.826 1.00 . A A . 34 CYS H 1 1 5 1809 1 1 6 CYS HA H -4.001 -2.728 0.699 1.00 . A A . 34 CYS HA 1 1 5 1810 1 1 6 CYS HB2 H -2.795 -1.685 -1.270 1.00 . A A . 34 CYS HB2 1 1 5 1811 1 1 6 CYS HB3 H -3.645 -2.831 -2.308 1.00 . A A . 34 CYS HB3 1 1 5 1812 1 1 6 CYS N N -2.489 -3.991 -0.061 1.00 . A A . 34 CYS N 1 1 5 1813 1 1 6 CYS O O -4.683 -5.470 -0.516 1.00 . A A . 34 CYS O 1 1 5 1814 1 1 6 CYS SG S -5.141 -1.205 -1.375 1.00 . A A . 34 CYS SG 1 1 5 1815 1 1 7 SER C C -7.339 -4.994 -2.452 1.00 . A A . 35 SER C 1 1 5 1816 1 1 7 SER CA C -7.238 -4.733 -0.948 1.00 . A A . 35 SER CA 1 1 5 1817 1 1 7 SER CB C -8.541 -4.107 -0.451 1.00 . A A . 35 SER CB 1 1 5 1818 1 1 7 SER H H -6.262 -2.836 -0.648 1.00 . A A . 35 SER H 1 1 5 1819 1 1 7 SER HA H -7.068 -5.667 -0.431 1.00 . A A . 35 SER HA 1 1 5 1820 1 1 7 SER HB2 H -9.348 -4.376 -1.113 1.00 . A A . 35 SER HB2 1 1 5 1821 1 1 7 SER HB3 H -8.759 -4.473 0.544 1.00 . A A . 35 SER HB3 1 1 5 1822 1 1 7 SER HG H -7.970 -2.425 -1.244 1.00 . A A . 35 SER HG 1 1 5 1823 1 1 7 SER N N -6.105 -3.803 -0.679 1.00 . A A . 35 SER N 1 1 5 1824 1 1 7 SER O O -6.931 -6.030 -2.940 1.00 . A A . 35 SER O 1 1 5 1825 1 1 7 SER OG O -8.405 -2.693 -0.431 1.00 . A A . 35 SER OG 1 1 5 1826 1 1 8 LEU C C -6.871 -3.511 -5.369 1.00 . A A . 36 LEU C 1 1 5 1827 1 1 8 LEU CA C -7.999 -4.264 -4.662 1.00 . A A . 36 LEU CA 1 1 5 1828 1 1 8 LEU CB C -9.351 -3.730 -5.141 1.00 . A A . 36 LEU CB 1 1 5 1829 1 1 8 LEU CD1 C -9.065 -5.173 -7.161 1.00 . A A . 36 LEU CD1 1 1 5 1830 1 1 8 LEU CD2 C -10.812 -3.389 -7.136 1.00 . A A . 36 LEU CD2 1 1 5 1831 1 1 8 LEU CG C -9.405 -3.765 -6.668 1.00 . A A . 36 LEU CG 1 1 5 1832 1 1 8 LEU H H -8.198 -3.235 -2.782 1.00 . A A . 36 LEU H 1 1 5 1833 1 1 8 LEU HA H -7.926 -5.318 -4.889 1.00 . A A . 36 LEU HA 1 1 5 1834 1 1 8 LEU HB2 H -10.143 -4.344 -4.738 1.00 . A A . 36 LEU HB2 1 1 5 1835 1 1 8 LEU HB3 H -9.476 -2.712 -4.801 1.00 . A A . 36 LEU HB3 1 1 5 1836 1 1 8 LEU HD11 H -9.525 -5.339 -8.124 1.00 . A A . 36 LEU HD11 1 1 5 1837 1 1 8 LEU HD12 H -9.437 -5.901 -6.455 1.00 . A A . 36 LEU HD12 1 1 5 1838 1 1 8 LEU HD13 H -7.994 -5.275 -7.251 1.00 . A A . 36 LEU HD13 1 1 5 1839 1 1 8 LEU HD21 H -10.750 -2.854 -8.072 1.00 . A A . 36 LEU HD21 1 1 5 1840 1 1 8 LEU HD22 H -11.282 -2.761 -6.393 1.00 . A A . 36 LEU HD22 1 1 5 1841 1 1 8 LEU HD23 H -11.398 -4.286 -7.271 1.00 . A A . 36 LEU HD23 1 1 5 1842 1 1 8 LEU HG H -8.689 -3.062 -7.070 1.00 . A A . 36 LEU HG 1 1 5 1843 1 1 8 LEU N N -7.877 -4.064 -3.192 1.00 . A A . 36 LEU N 1 1 5 1844 1 1 8 LEU O O -7.001 -2.352 -5.707 1.00 . A A . 36 LEU O 1 1 5 1845 1 1 9 CYS C C -3.320 -4.203 -5.875 1.00 . A A . 37 CYS C 1 1 5 1846 1 1 9 CYS CA C -4.620 -3.502 -6.278 1.00 . A A . 37 CYS CA 1 1 5 1847 1 1 9 CYS CB C -4.551 -2.029 -5.867 1.00 . A A . 37 CYS CB 1 1 5 1848 1 1 9 CYS H H -5.689 -5.101 -5.309 1.00 . A A . 37 CYS H 1 1 5 1849 1 1 9 CYS HA H -4.750 -3.572 -7.347 1.00 . A A . 37 CYS HA 1 1 5 1850 1 1 9 CYS HB2 H -3.538 -1.673 -5.975 1.00 . A A . 37 CYS HB2 1 1 5 1851 1 1 9 CYS HB3 H -5.205 -1.447 -6.501 1.00 . A A . 37 CYS HB3 1 1 5 1852 1 1 9 CYS N N -5.766 -4.166 -5.594 1.00 . A A . 37 CYS N 1 1 5 1853 1 1 9 CYS O O -2.719 -3.881 -4.869 1.00 . A A . 37 CYS O 1 1 5 1854 1 1 9 CYS SG S -5.071 -1.853 -4.142 1.00 . A A . 37 CYS SG 1 1 5 1855 1 1 10 PRO C C -0.468 -5.025 -6.033 1.00 . A A . 38 PRO C 1 1 5 1856 1 1 10 PRO CA C -1.650 -5.932 -6.381 1.00 . A A . 38 PRO CA 1 1 5 1857 1 1 10 PRO CB C -1.388 -6.674 -7.692 1.00 . A A . 38 PRO CB 1 1 5 1858 1 1 10 PRO CD C -3.561 -5.612 -7.887 1.00 . A A . 38 PRO CD 1 1 5 1859 1 1 10 PRO CG C -2.725 -6.809 -8.344 1.00 . A A . 38 PRO CG 1 1 5 1860 1 1 10 PRO HA H -1.818 -6.646 -5.592 1.00 . A A . 38 PRO HA 1 1 5 1861 1 1 10 PRO HB2 H -0.719 -6.101 -8.319 1.00 . A A . 38 PRO HB2 1 1 5 1862 1 1 10 PRO HB3 H -0.974 -7.651 -7.495 1.00 . A A . 38 PRO HB3 1 1 5 1863 1 1 10 PRO HD2 H -3.543 -4.833 -8.638 1.00 . A A . 38 PRO HD2 1 1 5 1864 1 1 10 PRO HD3 H -4.574 -5.915 -7.675 1.00 . A A . 38 PRO HD3 1 1 5 1865 1 1 10 PRO HG2 H -2.613 -6.798 -9.420 1.00 . A A . 38 PRO HG2 1 1 5 1866 1 1 10 PRO HG3 H -3.201 -7.724 -8.029 1.00 . A A . 38 PRO HG3 1 1 5 1867 1 1 10 PRO N N -2.896 -5.161 -6.654 1.00 . A A . 38 PRO N 1 1 5 1868 1 1 10 PRO O O 0.377 -4.744 -6.859 1.00 . A A . 38 PRO O 1 1 5 1869 1 1 11 GLN C C 0.929 -3.753 -2.899 1.00 . A A . 39 GLN C 1 1 5 1870 1 1 11 GLN CA C 0.728 -3.677 -4.414 1.00 . A A . 39 GLN CA 1 1 5 1871 1 1 11 GLN CB C 0.412 -2.234 -4.819 1.00 . A A . 39 GLN CB 1 1 5 1872 1 1 11 GLN CD C -0.778 -0.145 -4.136 1.00 . A A . 39 GLN CD 1 1 5 1873 1 1 11 GLN CG C -0.292 -1.516 -3.664 1.00 . A A . 39 GLN CG 1 1 5 1874 1 1 11 GLN H H -1.092 -4.802 -4.160 1.00 . A A . 39 GLN H 1 1 5 1875 1 1 11 GLN HA H 1.631 -3.999 -4.911 1.00 . A A . 39 GLN HA 1 1 5 1876 1 1 11 GLN HB2 H 1.332 -1.719 -5.056 1.00 . A A . 39 GLN HB2 1 1 5 1877 1 1 11 GLN HB3 H -0.232 -2.236 -5.684 1.00 . A A . 39 GLN HB3 1 1 5 1878 1 1 11 GLN HE21 H -2.619 -0.776 -4.529 1.00 . A A . 39 GLN HE21 1 1 5 1879 1 1 11 GLN HE22 H -2.333 0.869 -4.838 1.00 . A A . 39 GLN HE22 1 1 5 1880 1 1 11 GLN HG2 H -1.136 -2.106 -3.336 1.00 . A A . 39 GLN HG2 1 1 5 1881 1 1 11 GLN HG3 H 0.399 -1.389 -2.845 1.00 . A A . 39 GLN HG3 1 1 5 1882 1 1 11 GLN N N -0.400 -4.563 -4.814 1.00 . A A . 39 GLN N 1 1 5 1883 1 1 11 GLN NE2 N -2.012 -0.006 -4.534 1.00 . A A . 39 GLN NE2 1 1 5 1884 1 1 11 GLN O O 0.015 -4.054 -2.156 1.00 . A A . 39 GLN O 1 1 5 1885 1 1 11 GLN OE1 O -0.025 0.809 -4.143 1.00 . A A . 39 GLN OE1 1 1 5 1886 1 1 12 ARG C C 3.135 -2.282 -0.538 1.00 . A A . 40 ARG C 1 1 5 1887 1 1 12 ARG CA C 2.378 -3.538 -0.970 1.00 . A A . 40 ARG CA 1 1 5 1888 1 1 12 ARG CB C 3.218 -4.776 -0.649 1.00 . A A . 40 ARG CB 1 1 5 1889 1 1 12 ARG CD C 3.158 -7.274 -0.679 1.00 . A A . 40 ARG CD 1 1 5 1890 1 1 12 ARG CG C 2.592 -6.002 -1.314 1.00 . A A . 40 ARG CG 1 1 5 1891 1 1 12 ARG CZ C 5.565 -7.030 -0.818 1.00 . A A . 40 ARG CZ 1 1 5 1892 1 1 12 ARG H H 2.841 -3.241 -3.053 1.00 . A A . 40 ARG H 1 1 5 1893 1 1 12 ARG HA H 1.440 -3.593 -0.439 1.00 . A A . 40 ARG HA 1 1 5 1894 1 1 12 ARG HB2 H 4.223 -4.636 -1.020 1.00 . A A . 40 ARG HB2 1 1 5 1895 1 1 12 ARG HB3 H 3.246 -4.925 0.421 1.00 . A A . 40 ARG HB3 1 1 5 1896 1 1 12 ARG HD2 H 2.486 -7.621 0.091 1.00 . A A . 40 ARG HD2 1 1 5 1897 1 1 12 ARG HD3 H 3.265 -8.038 -1.435 1.00 . A A . 40 ARG HD3 1 1 5 1898 1 1 12 ARG HE H 4.559 -6.746 0.870 1.00 . A A . 40 ARG HE 1 1 5 1899 1 1 12 ARG HG2 H 1.520 -5.978 -1.179 1.00 . A A . 40 ARG HG2 1 1 5 1900 1 1 12 ARG HG3 H 2.823 -5.997 -2.369 1.00 . A A . 40 ARG HG3 1 1 5 1901 1 1 12 ARG HH11 H 4.578 -7.535 -2.486 1.00 . A A . 40 ARG HH11 1 1 5 1902 1 1 12 ARG HH12 H 6.296 -7.378 -2.650 1.00 . A A . 40 ARG HH12 1 1 5 1903 1 1 12 ARG HH21 H 6.802 -6.536 0.675 1.00 . A A . 40 ARG HH21 1 1 5 1904 1 1 12 ARG HH22 H 7.554 -6.812 -0.859 1.00 . A A . 40 ARG HH22 1 1 5 1905 1 1 12 ARG N N 2.118 -3.482 -2.436 1.00 . A A . 40 ARG N 1 1 5 1906 1 1 12 ARG NE N 4.490 -6.979 -0.080 1.00 . A A . 40 ARG NE 1 1 5 1907 1 1 12 ARG NH1 N 5.472 -7.338 -2.083 1.00 . A A . 40 ARG NH1 1 1 5 1908 1 1 12 ARG NH2 N 6.731 -6.772 -0.294 1.00 . A A . 40 ARG NH2 1 1 5 1909 1 1 12 ARG O O 3.829 -1.663 -1.320 1.00 . A A . 40 ARG O 1 1 5 1910 1 1 13 SER C C 4.465 -1.006 2.481 1.00 . A A . 41 SER C 1 1 5 1911 1 1 13 SER CA C 3.720 -0.682 1.184 1.00 . A A . 41 SER CA 1 1 5 1912 1 1 13 SER CB C 2.707 0.432 1.444 1.00 . A A . 41 SER CB 1 1 5 1913 1 1 13 SER H H 2.442 -2.411 1.319 1.00 . A A . 41 SER H 1 1 5 1914 1 1 13 SER HA H 4.426 -0.358 0.433 1.00 . A A . 41 SER HA 1 1 5 1915 1 1 13 SER HB2 H 2.323 0.346 2.447 1.00 . A A . 41 SER HB2 1 1 5 1916 1 1 13 SER HB3 H 3.191 1.393 1.328 1.00 . A A . 41 SER HB3 1 1 5 1917 1 1 13 SER HG H 1.350 -0.603 0.511 1.00 . A A . 41 SER HG 1 1 5 1918 1 1 13 SER N N 3.008 -1.898 0.704 1.00 . A A . 41 SER N 1 1 5 1919 1 1 13 SER O O 4.387 -2.102 2.996 1.00 . A A . 41 SER O 1 1 5 1920 1 1 13 SER OG O 1.632 0.314 0.522 1.00 . A A . 41 SER OG 1 1 5 1921 1 1 14 ARG C C 5.569 0.758 5.306 1.00 . A A . 42 ARG C 1 1 5 1922 1 1 14 ARG CA C 5.937 -0.310 4.274 1.00 . A A . 42 ARG CA 1 1 5 1923 1 1 14 ARG CB C 7.441 -0.254 3.994 1.00 . A A . 42 ARG CB 1 1 5 1924 1 1 14 ARG CD C 8.992 -0.829 2.123 1.00 . A A . 42 ARG CD 1 1 5 1925 1 1 14 ARG CG C 7.807 -1.317 2.957 1.00 . A A . 42 ARG CG 1 1 5 1926 1 1 14 ARG CZ C 9.955 -1.369 -0.034 1.00 . A A . 42 ARG CZ 1 1 5 1927 1 1 14 ARG H H 5.237 0.821 2.580 1.00 . A A . 42 ARG H 1 1 5 1928 1 1 14 ARG HA H 5.677 -1.285 4.658 1.00 . A A . 42 ARG HA 1 1 5 1929 1 1 14 ARG HB2 H 7.700 0.724 3.616 1.00 . A A . 42 ARG HB2 1 1 5 1930 1 1 14 ARG HB3 H 7.983 -0.443 4.908 1.00 . A A . 42 ARG HB3 1 1 5 1931 1 1 14 ARG HD2 H 8.799 0.176 1.777 1.00 . A A . 42 ARG HD2 1 1 5 1932 1 1 14 ARG HD3 H 9.886 -0.836 2.728 1.00 . A A . 42 ARG HD3 1 1 5 1933 1 1 14 ARG HE H 8.718 -2.595 0.920 1.00 . A A . 42 ARG HE 1 1 5 1934 1 1 14 ARG HG2 H 8.074 -2.236 3.462 1.00 . A A . 42 ARG HG2 1 1 5 1935 1 1 14 ARG HG3 H 6.961 -1.496 2.309 1.00 . A A . 42 ARG HG3 1 1 5 1936 1 1 14 ARG HH11 H 10.444 0.388 0.794 1.00 . A A . 42 ARG HH11 1 1 5 1937 1 1 14 ARG HH12 H 11.164 0.060 -0.746 1.00 . A A . 42 ARG HH12 1 1 5 1938 1 1 14 ARG HH21 H 9.650 -3.040 -1.093 1.00 . A A . 42 ARG HH21 1 1 5 1939 1 1 14 ARG HH22 H 10.715 -1.880 -1.814 1.00 . A A . 42 ARG HH22 1 1 5 1940 1 1 14 ARG N N 5.188 -0.057 3.012 1.00 . A A . 42 ARG N 1 1 5 1941 1 1 14 ARG NE N 9.179 -1.730 0.951 1.00 . A A . 42 ARG NE 1 1 5 1942 1 1 14 ARG NH1 N 10.569 -0.217 0.008 1.00 . A A . 42 ARG NH1 1 1 5 1943 1 1 14 ARG NH2 N 10.120 -2.158 -1.060 1.00 . A A . 42 ARG NH2 1 1 5 1944 1 1 14 ARG O O 5.295 0.461 6.452 1.00 . A A . 42 ARG O 1 1 5 1945 1 1 15 ASP C C 3.923 3.774 5.406 1.00 . A A . 43 ASP C 1 1 5 1946 1 1 15 ASP CA C 5.209 3.087 5.868 1.00 . A A . 43 ASP CA 1 1 5 1947 1 1 15 ASP CB C 6.345 4.111 5.916 1.00 . A A . 43 ASP CB 1 1 5 1948 1 1 15 ASP CG C 6.659 4.457 7.373 1.00 . A A . 43 ASP CG 1 1 5 1949 1 1 15 ASP H H 5.785 2.221 3.981 1.00 . A A . 43 ASP H 1 1 5 1950 1 1 15 ASP HA H 5.061 2.666 6.851 1.00 . A A . 43 ASP HA 1 1 5 1951 1 1 15 ASP HB2 H 7.225 3.695 5.445 1.00 . A A . 43 ASP HB2 1 1 5 1952 1 1 15 ASP HB3 H 6.045 5.007 5.392 1.00 . A A . 43 ASP HB3 1 1 5 1953 1 1 15 ASP N N 5.560 2.002 4.910 1.00 . A A . 43 ASP N 1 1 5 1954 1 1 15 ASP O O 3.747 4.064 4.240 1.00 . A A . 43 ASP O 1 1 5 1955 1 1 15 ASP OD1 O 6.009 5.340 7.904 1.00 . A A . 43 ASP OD1 1 1 5 1956 1 1 15 ASP OD2 O 7.547 3.833 7.931 1.00 . A A . 43 ASP OD2 1 1 5 1957 1 1 16 PHE C C 2.033 5.757 4.849 1.00 . A A . 44 PHE C 1 1 5 1958 1 1 16 PHE CA C 1.746 4.703 5.919 1.00 . A A . 44 PHE CA 1 1 5 1959 1 1 16 PHE CB C 1.122 5.377 7.143 1.00 . A A . 44 PHE CB 1 1 5 1960 1 1 16 PHE CD1 C -1.154 4.302 6.992 1.00 . A A . 44 PHE CD1 1 1 5 1961 1 1 16 PHE CD2 C -0.983 6.709 6.757 1.00 . A A . 44 PHE CD2 1 1 5 1962 1 1 16 PHE CE1 C -2.542 4.384 6.823 1.00 . A A . 44 PHE CE1 1 1 5 1963 1 1 16 PHE CE2 C -2.370 6.791 6.588 1.00 . A A . 44 PHE CE2 1 1 5 1964 1 1 16 PHE CG C -0.375 5.464 6.960 1.00 . A A . 44 PHE CG 1 1 5 1965 1 1 16 PHE CZ C -3.149 5.629 6.621 1.00 . A A . 44 PHE CZ 1 1 5 1966 1 1 16 PHE H H 3.178 3.795 7.248 1.00 . A A . 44 PHE H 1 1 5 1967 1 1 16 PHE HA H 1.062 3.967 5.525 1.00 . A A . 44 PHE HA 1 1 5 1968 1 1 16 PHE HB2 H 1.343 4.795 8.025 1.00 . A A . 44 PHE HB2 1 1 5 1969 1 1 16 PHE HB3 H 1.529 6.370 7.254 1.00 . A A . 44 PHE HB3 1 1 5 1970 1 1 16 PHE HD1 H -0.685 3.341 7.147 1.00 . A A . 44 PHE HD1 1 1 5 1971 1 1 16 PHE HD2 H -0.382 7.606 6.732 1.00 . A A . 44 PHE HD2 1 1 5 1972 1 1 16 PHE HE1 H -3.142 3.487 6.848 1.00 . A A . 44 PHE HE1 1 1 5 1973 1 1 16 PHE HE2 H -2.839 7.751 6.433 1.00 . A A . 44 PHE HE2 1 1 5 1974 1 1 16 PHE HZ H -4.220 5.692 6.490 1.00 . A A . 44 PHE HZ 1 1 5 1975 1 1 16 PHE N N 3.019 4.036 6.312 1.00 . A A . 44 PHE N 1 1 5 1976 1 1 16 PHE O O 1.245 5.972 3.948 1.00 . A A . 44 PHE O 1 1 5 1977 1 1 17 SER C C 3.324 6.868 2.521 1.00 . A A . 45 SER C 1 1 5 1978 1 1 17 SER CA C 3.491 7.455 3.924 1.00 . A A . 45 SER CA 1 1 5 1979 1 1 17 SER CB C 4.940 7.907 4.117 1.00 . A A . 45 SER CB 1 1 5 1980 1 1 17 SER H H 3.778 6.229 5.671 1.00 . A A . 45 SER H 1 1 5 1981 1 1 17 SER HA H 2.831 8.302 4.042 1.00 . A A . 45 SER HA 1 1 5 1982 1 1 17 SER HB2 H 5.082 8.873 3.661 1.00 . A A . 45 SER HB2 1 1 5 1983 1 1 17 SER HB3 H 5.156 7.976 5.175 1.00 . A A . 45 SER HB3 1 1 5 1984 1 1 17 SER HG H 6.118 6.360 4.181 1.00 . A A . 45 SER HG 1 1 5 1985 1 1 17 SER N N 3.156 6.417 4.938 1.00 . A A . 45 SER N 1 1 5 1986 1 1 17 SER O O 2.576 7.377 1.710 1.00 . A A . 45 SER O 1 1 5 1987 1 1 17 SER OG O 5.810 6.966 3.503 1.00 . A A . 45 SER OG 1 1 5 1988 1 1 18 ALA C C 2.495 4.581 0.718 1.00 . A A . 46 ALA C 1 1 5 1989 1 1 18 ALA CA C 3.894 5.181 0.880 1.00 . A A . 46 ALA CA 1 1 5 1990 1 1 18 ALA CB C 4.942 4.076 0.730 1.00 . A A . 46 ALA CB 1 1 5 1991 1 1 18 ALA H H 4.612 5.405 2.899 1.00 . A A . 46 ALA H 1 1 5 1992 1 1 18 ALA HA H 4.053 5.933 0.123 1.00 . A A . 46 ALA HA 1 1 5 1993 1 1 18 ALA HB1 H 5.223 3.986 -0.308 1.00 . A A . 46 ALA HB1 1 1 5 1994 1 1 18 ALA HB2 H 4.527 3.138 1.072 1.00 . A A . 46 ALA HB2 1 1 5 1995 1 1 18 ALA HB3 H 5.811 4.322 1.319 1.00 . A A . 46 ALA HB3 1 1 5 1996 1 1 18 ALA N N 4.014 5.801 2.230 1.00 . A A . 46 ALA N 1 1 5 1997 1 1 18 ALA O O 1.933 4.575 -0.358 1.00 . A A . 46 ALA O 1 1 5 1998 1 1 19 MET C C -0.447 4.574 1.355 1.00 . A A . 47 MET C 1 1 5 1999 1 1 19 MET CA C 0.569 3.479 1.687 1.00 . A A . 47 MET CA 1 1 5 2000 1 1 19 MET CB C 0.201 2.832 3.023 1.00 . A A . 47 MET CB 1 1 5 2001 1 1 19 MET CE C -3.211 0.646 3.740 1.00 . A A . 47 MET CE 1 1 5 2002 1 1 19 MET CG C -0.964 1.863 2.820 1.00 . A A . 47 MET CG 1 1 5 2003 1 1 19 MET H H 2.401 4.092 2.641 1.00 . A A . 47 MET H 1 1 5 2004 1 1 19 MET HA H 0.558 2.730 0.909 1.00 . A A . 47 MET HA 1 1 5 2005 1 1 19 MET HB2 H 1.055 2.294 3.410 1.00 . A A . 47 MET HB2 1 1 5 2006 1 1 19 MET HB3 H -0.090 3.598 3.725 1.00 . A A . 47 MET HB3 1 1 5 2007 1 1 19 MET HE1 H -4.076 0.640 4.388 1.00 . A A . 47 MET HE1 1 1 5 2008 1 1 19 MET HE2 H -2.667 -0.282 3.845 1.00 . A A . 47 MET HE2 1 1 5 2009 1 1 19 MET HE3 H -3.532 0.760 2.717 1.00 . A A . 47 MET HE3 1 1 5 2010 1 1 19 MET HG2 H -1.466 2.093 1.891 1.00 . A A . 47 MET HG2 1 1 5 2011 1 1 19 MET HG3 H -0.589 0.850 2.785 1.00 . A A . 47 MET HG3 1 1 5 2012 1 1 19 MET N N 1.930 4.077 1.780 1.00 . A A . 47 MET N 1 1 5 2013 1 1 19 MET O O -1.378 4.362 0.604 1.00 . A A . 47 MET O 1 1 5 2014 1 1 19 MET SD S -2.132 2.027 4.193 1.00 . A A . 47 MET SD 1 1 5 2015 1 1 20 THR C C -1.169 7.214 0.141 1.00 . A A . 48 THR C 1 1 5 2016 1 1 20 THR CA C -1.235 6.849 1.624 1.00 . A A . 48 THR CA 1 1 5 2017 1 1 20 THR CB C -0.867 8.075 2.458 1.00 . A A . 48 THR CB 1 1 5 2018 1 1 20 THR CG2 C -1.792 8.168 3.672 1.00 . A A . 48 THR CG2 1 1 5 2019 1 1 20 THR H H 0.481 5.895 2.512 1.00 . A A . 48 THR H 1 1 5 2020 1 1 20 THR HA H -2.235 6.532 1.874 1.00 . A A . 48 THR HA 1 1 5 2021 1 1 20 THR HB H -0.982 8.961 1.854 1.00 . A A . 48 THR HB 1 1 5 2022 1 1 20 THR HG1 H 0.964 7.460 2.233 1.00 . A A . 48 THR HG1 1 1 5 2023 1 1 20 THR HG21 H -2.718 8.644 3.383 1.00 . A A . 48 THR HG21 1 1 5 2024 1 1 20 THR HG22 H -1.313 8.753 4.445 1.00 . A A . 48 THR HG22 1 1 5 2025 1 1 20 THR HG23 H -1.996 7.176 4.046 1.00 . A A . 48 THR HG23 1 1 5 2026 1 1 20 THR N N -0.276 5.744 1.909 1.00 . A A . 48 THR N 1 1 5 2027 1 1 20 THR O O -2.176 7.289 -0.535 1.00 . A A . 48 THR O 1 1 5 2028 1 1 20 THR OG1 O 0.481 7.965 2.891 1.00 . A A . 48 THR OG1 1 1 5 2029 1 1 21 LYS C C -0.604 6.733 -2.634 1.00 . A A . 49 LYS C 1 1 5 2030 1 1 21 LYS CA C 0.128 7.790 -1.817 1.00 . A A . 49 LYS CA 1 1 5 2031 1 1 21 LYS CB C 1.602 7.815 -2.224 1.00 . A A . 49 LYS CB 1 1 5 2032 1 1 21 LYS CD C 3.387 9.560 -2.143 1.00 . A A . 49 LYS CD 1 1 5 2033 1 1 21 LYS CE C 4.203 10.469 -1.222 1.00 . A A . 49 LYS CE 1 1 5 2034 1 1 21 LYS CG C 2.370 8.774 -1.313 1.00 . A A . 49 LYS CG 1 1 5 2035 1 1 21 LYS H H 0.811 7.367 0.180 1.00 . A A . 49 LYS H 1 1 5 2036 1 1 21 LYS HA H -0.317 8.759 -1.993 1.00 . A A . 49 LYS HA 1 1 5 2037 1 1 21 LYS HB2 H 2.015 6.820 -2.134 1.00 . A A . 49 LYS HB2 1 1 5 2038 1 1 21 LYS HB3 H 1.686 8.148 -3.247 1.00 . A A . 49 LYS HB3 1 1 5 2039 1 1 21 LYS HD2 H 4.048 8.871 -2.649 1.00 . A A . 49 LYS HD2 1 1 5 2040 1 1 21 LYS HD3 H 2.868 10.162 -2.872 1.00 . A A . 49 LYS HD3 1 1 5 2041 1 1 21 LYS HE2 H 3.651 10.646 -0.311 1.00 . A A . 49 LYS HE2 1 1 5 2042 1 1 21 LYS HE3 H 5.144 9.993 -0.987 1.00 . A A . 49 LYS HE3 1 1 5 2043 1 1 21 LYS HG2 H 1.677 9.459 -0.846 1.00 . A A . 49 LYS HG2 1 1 5 2044 1 1 21 LYS HG3 H 2.888 8.210 -0.553 1.00 . A A . 49 LYS HG3 1 1 5 2045 1 1 21 LYS HZ1 H 4.536 11.609 -2.932 1.00 . A A . 49 LYS HZ1 1 1 5 2046 1 1 21 LYS HZ2 H 5.348 12.176 -1.556 1.00 . A A . 49 LYS HZ2 1 1 5 2047 1 1 21 LYS HZ3 H 3.674 12.422 -1.714 1.00 . A A . 49 LYS HZ3 1 1 5 2048 1 1 21 LYS N N 0.009 7.437 -0.377 1.00 . A A . 49 LYS N 1 1 5 2049 1 1 21 LYS NZ N 4.460 11.767 -1.908 1.00 . A A . 49 LYS NZ 1 1 5 2050 1 1 21 LYS O O -1.322 7.033 -3.568 1.00 . A A . 49 LYS O 1 1 5 2051 1 1 22 HIS C C -2.611 4.694 -3.080 1.00 . A A . 50 HIS C 1 1 5 2052 1 1 22 HIS CA C -1.110 4.401 -3.016 1.00 . A A . 50 HIS CA 1 1 5 2053 1 1 22 HIS CB C -0.877 3.078 -2.284 1.00 . A A . 50 HIS CB 1 1 5 2054 1 1 22 HIS CD2 C -2.507 1.062 -1.848 1.00 . A A . 50 HIS CD2 1 1 5 2055 1 1 22 HIS CE1 C -3.843 1.378 -3.523 1.00 . A A . 50 HIS CE1 1 1 5 2056 1 1 22 HIS CG C -2.042 2.160 -2.527 1.00 . A A . 50 HIS CG 1 1 5 2057 1 1 22 HIS H H 0.154 5.282 -1.519 1.00 . A A . 50 HIS H 1 1 5 2058 1 1 22 HIS HA H -0.711 4.335 -4.017 1.00 . A A . 50 HIS HA 1 1 5 2059 1 1 22 HIS HB2 H 0.029 2.619 -2.650 1.00 . A A . 50 HIS HB2 1 1 5 2060 1 1 22 HIS HB3 H -0.782 3.267 -1.225 1.00 . A A . 50 HIS HB3 1 1 5 2061 1 1 22 HIS HD1 H -2.851 3.043 -4.273 1.00 . A A . 50 HIS HD1 1 1 5 2062 1 1 22 HIS HD2 H -2.057 0.644 -0.959 1.00 . A A . 50 HIS HD2 1 1 5 2063 1 1 22 HIS HE1 H -4.659 1.278 -4.222 1.00 . A A . 50 HIS HE1 1 1 5 2064 1 1 22 HIS N N -0.428 5.493 -2.279 1.00 . A A . 50 HIS N 1 1 5 2065 1 1 22 HIS ND1 N -2.909 2.341 -3.593 1.00 . A A . 50 HIS ND1 1 1 5 2066 1 1 22 HIS NE2 N -3.645 0.568 -2.479 1.00 . A A . 50 HIS NE2 1 1 5 2067 1 1 22 HIS O O -3.243 4.521 -4.103 1.00 . A A . 50 HIS O 1 1 5 2068 1 1 23 LEU C C -4.884 6.719 -2.808 1.00 . A A . 51 LEU C 1 1 5 2069 1 1 23 LEU CA C -4.650 5.433 -2.017 1.00 . A A . 51 LEU CA 1 1 5 2070 1 1 23 LEU CB C -5.169 5.603 -0.587 1.00 . A A . 51 LEU CB 1 1 5 2071 1 1 23 LEU CD1 C -4.606 5.350 1.835 1.00 . A A . 51 LEU CD1 1 1 5 2072 1 1 23 LEU CD2 C -4.024 3.534 0.222 1.00 . A A . 51 LEU CD2 1 1 5 2073 1 1 23 LEU CG C -4.146 5.049 0.407 1.00 . A A . 51 LEU CG 1 1 5 2074 1 1 23 LEU H H -2.668 5.272 -1.178 1.00 . A A . 51 LEU H 1 1 5 2075 1 1 23 LEU HA H -5.176 4.618 -2.497 1.00 . A A . 51 LEU HA 1 1 5 2076 1 1 23 LEU HB2 H -5.332 6.651 -0.387 1.00 . A A . 51 LEU HB2 1 1 5 2077 1 1 23 LEU HB3 H -6.100 5.067 -0.478 1.00 . A A . 51 LEU HB3 1 1 5 2078 1 1 23 LEU HD11 H -5.501 4.785 2.051 1.00 . A A . 51 LEU HD11 1 1 5 2079 1 1 23 LEU HD12 H -4.813 6.405 1.932 1.00 . A A . 51 LEU HD12 1 1 5 2080 1 1 23 LEU HD13 H -3.827 5.070 2.530 1.00 . A A . 51 LEU HD13 1 1 5 2081 1 1 23 LEU HD21 H -4.986 3.072 0.385 1.00 . A A . 51 LEU HD21 1 1 5 2082 1 1 23 LEU HD22 H -3.311 3.141 0.932 1.00 . A A . 51 LEU HD22 1 1 5 2083 1 1 23 LEU HD23 H -3.686 3.319 -0.781 1.00 . A A . 51 LEU HD23 1 1 5 2084 1 1 23 LEU HG H -3.188 5.513 0.234 1.00 . A A . 51 LEU HG 1 1 5 2085 1 1 23 LEU N N -3.191 5.135 -1.997 1.00 . A A . 51 LEU N 1 1 5 2086 1 1 23 LEU O O -5.838 6.840 -3.549 1.00 . A A . 51 LEU O 1 1 5 2087 1 1 24 ARG C C -3.815 8.700 -4.886 1.00 . A A . 52 ARG C 1 1 5 2088 1 1 24 ARG CA C -4.176 8.951 -3.422 1.00 . A A . 52 ARG CA 1 1 5 2089 1 1 24 ARG CB C -3.247 10.019 -2.839 1.00 . A A . 52 ARG CB 1 1 5 2090 1 1 24 ARG CD C -2.322 12.303 -3.256 1.00 . A A . 52 ARG CD 1 1 5 2091 1 1 24 ARG CG C -2.931 11.062 -3.913 1.00 . A A . 52 ARG CG 1 1 5 2092 1 1 24 ARG CZ C -2.899 13.833 -1.469 1.00 . A A . 52 ARG CZ 1 1 5 2093 1 1 24 ARG H H -3.241 7.558 -2.070 1.00 . A A . 52 ARG H 1 1 5 2094 1 1 24 ARG HA H -5.201 9.283 -3.352 1.00 . A A . 52 ARG HA 1 1 5 2095 1 1 24 ARG HB2 H -3.732 10.498 -2.001 1.00 . A A . 52 ARG HB2 1 1 5 2096 1 1 24 ARG HB3 H -2.329 9.557 -2.508 1.00 . A A . 52 ARG HB3 1 1 5 2097 1 1 24 ARG HD2 H -1.374 12.045 -2.808 1.00 . A A . 52 ARG HD2 1 1 5 2098 1 1 24 ARG HD3 H -2.170 13.068 -4.003 1.00 . A A . 52 ARG HD3 1 1 5 2099 1 1 24 ARG HE H -4.116 12.382 -2.065 1.00 . A A . 52 ARG HE 1 1 5 2100 1 1 24 ARG HG2 H -2.229 10.648 -4.621 1.00 . A A . 52 ARG HG2 1 1 5 2101 1 1 24 ARG HG3 H -3.841 11.339 -4.426 1.00 . A A . 52 ARG HG3 1 1 5 2102 1 1 24 ARG HH11 H -1.122 14.067 -2.361 1.00 . A A . 52 ARG HH11 1 1 5 2103 1 1 24 ARG HH12 H -1.476 15.190 -1.090 1.00 . A A . 52 ARG HH12 1 1 5 2104 1 1 24 ARG HH21 H -4.597 13.839 -0.407 1.00 . A A . 52 ARG HH21 1 1 5 2105 1 1 24 ARG HH22 H -3.444 15.061 0.015 1.00 . A A . 52 ARG HH22 1 1 5 2106 1 1 24 ARG N N -4.010 7.679 -2.666 1.00 . A A . 52 ARG N 1 1 5 2107 1 1 24 ARG NE N -3.247 12.812 -2.204 1.00 . A A . 52 ARG NE 1 1 5 2108 1 1 24 ARG NH1 N -1.742 14.408 -1.655 1.00 . A A . 52 ARG NH1 1 1 5 2109 1 1 24 ARG NH2 N -3.709 14.279 -0.548 1.00 . A A . 52 ARG NH2 1 1 5 2110 1 1 24 ARG O O -4.167 9.462 -5.764 1.00 . A A . 52 ARG O 1 1 5 2111 1 1 25 THR C C -3.674 6.231 -7.099 1.00 . A A . 53 THR C 1 1 5 2112 1 1 25 THR CA C -2.736 7.311 -6.556 1.00 . A A . 53 THR CA 1 1 5 2113 1 1 25 THR CB C -1.290 6.803 -6.588 1.00 . A A . 53 THR CB 1 1 5 2114 1 1 25 THR CG2 C -1.279 5.273 -6.527 1.00 . A A . 53 THR CG2 1 1 5 2115 1 1 25 THR H H -2.853 7.026 -4.426 1.00 . A A . 53 THR H 1 1 5 2116 1 1 25 THR HA H -2.820 8.201 -7.163 1.00 . A A . 53 THR HA 1 1 5 2117 1 1 25 THR HB H -0.750 7.196 -5.740 1.00 . A A . 53 THR HB 1 1 5 2118 1 1 25 THR HG1 H -1.070 6.758 -8.519 1.00 . A A . 53 THR HG1 1 1 5 2119 1 1 25 THR HG21 H -2.021 4.935 -5.821 1.00 . A A . 53 THR HG21 1 1 5 2120 1 1 25 THR HG22 H -0.303 4.931 -6.215 1.00 . A A . 53 THR HG22 1 1 5 2121 1 1 25 THR HG23 H -1.505 4.871 -7.505 1.00 . A A . 53 THR HG23 1 1 5 2122 1 1 25 THR N N -3.119 7.628 -5.153 1.00 . A A . 53 THR N 1 1 5 2123 1 1 25 THR O O -3.663 5.917 -8.273 1.00 . A A . 53 THR O 1 1 5 2124 1 1 25 THR OG1 O -0.667 7.233 -7.789 1.00 . A A . 53 THR OG1 1 1 5 2125 1 1 26 HIS C C -5.893 4.912 -8.128 1.00 . A A . 54 HIS C 1 1 5 2126 1 1 26 HIS CA C -5.423 4.599 -6.706 1.00 . A A . 54 HIS CA 1 1 5 2127 1 1 26 HIS CB C -6.630 4.552 -5.765 1.00 . A A . 54 HIS CB 1 1 5 2128 1 1 26 HIS CD2 C -6.855 2.745 -3.868 1.00 . A A . 54 HIS CD2 1 1 5 2129 1 1 26 HIS CE1 C -6.896 0.978 -5.120 1.00 . A A . 54 HIS CE1 1 1 5 2130 1 1 26 HIS CG C -6.751 3.176 -5.168 1.00 . A A . 54 HIS CG 1 1 5 2131 1 1 26 HIS H H -4.471 5.930 -5.307 1.00 . A A . 54 HIS H 1 1 5 2132 1 1 26 HIS HA H -4.920 3.644 -6.696 1.00 . A A . 54 HIS HA 1 1 5 2133 1 1 26 HIS HB2 H -6.500 5.277 -4.976 1.00 . A A . 54 HIS HB2 1 1 5 2134 1 1 26 HIS HB3 H -7.528 4.782 -6.320 1.00 . A A . 54 HIS HB3 1 1 5 2135 1 1 26 HIS HD1 H -6.719 1.998 -6.925 1.00 . A A . 54 HIS HD1 1 1 5 2136 1 1 26 HIS HD2 H -6.865 3.386 -2.997 1.00 . A A . 54 HIS HD2 1 1 5 2137 1 1 26 HIS HE1 H -6.943 -0.049 -5.451 1.00 . A A . 54 HIS HE1 1 1 5 2138 1 1 26 HIS N N -4.482 5.660 -6.249 1.00 . A A . 54 HIS N 1 1 5 2139 1 1 26 HIS ND1 N -6.778 2.032 -5.949 1.00 . A A . 54 HIS ND1 1 1 5 2140 1 1 26 HIS NE2 N -6.947 1.356 -3.841 1.00 . A A . 54 HIS NE2 1 1 5 2141 1 1 26 HIS O O -6.742 5.756 -8.339 1.00 . A A . 54 HIS O 1 1 5 2142 1 1 27 GLY C C -5.708 6.004 -10.791 1.00 . A A . 55 GLY C 1 1 5 2143 1 1 27 GLY CA C -5.764 4.501 -10.511 1.00 . A A . 55 GLY CA 1 1 5 2144 1 1 27 GLY H H -4.665 3.565 -8.913 1.00 . A A . 55 GLY H 1 1 5 2145 1 1 27 GLY HA2 H -5.097 3.983 -11.185 1.00 . A A . 55 GLY HA2 1 1 5 2146 1 1 27 GLY HA3 H -6.773 4.149 -10.659 1.00 . A A . 55 GLY HA3 1 1 5 2147 1 1 27 GLY N N -5.348 4.241 -9.104 1.00 . A A . 55 GLY N 1 1 5 2148 1 1 27 GLY O O -6.657 6.687 -10.443 1.00 . A A . 55 GLY O 1 1 5 2149 1 1 27 GLY OXT O -4.717 6.446 -11.347 1.00 . A A . 55 GLY OXT 1 1 5 2150 2 2 1 ZN ZN ZN -5.430 0.219 -3.222 1.00 . B A . 84 ZN ZN 1 1 6 2151 1 1 1 GLU C C 4.524 -10.883 7.471 1.00 . A A . 29 GLU C 1 1 6 2152 1 1 1 GLU CA C 5.006 -11.050 8.914 1.00 . A A . 29 GLU CA 1 1 6 2153 1 1 1 GLU CB C 6.474 -10.630 9.014 1.00 . A A . 29 GLU CB 1 1 6 2154 1 1 1 GLU CD C 8.815 -11.454 9.299 1.00 . A A . 29 GLU CD 1 1 6 2155 1 1 1 GLU CG C 7.354 -11.875 9.137 1.00 . A A . 29 GLU CG 1 1 6 2156 1 1 1 GLU H1 H 4.761 -12.535 10.354 1.00 . A A . 29 GLU H1 1 1 6 2157 1 1 1 GLU H2 H 5.719 -13.003 9.031 1.00 . A A . 29 GLU H2 1 1 6 2158 1 1 1 GLU H3 H 4.032 -12.890 8.864 1.00 . A A . 29 GLU H3 1 1 6 2159 1 1 1 GLU HA H 4.409 -10.431 9.567 1.00 . A A . 29 GLU HA 1 1 6 2160 1 1 1 GLU HB2 H 6.752 -10.078 8.128 1.00 . A A . 29 GLU HB2 1 1 6 2161 1 1 1 GLU HB3 H 6.612 -10.007 9.885 1.00 . A A . 29 GLU HB3 1 1 6 2162 1 1 1 GLU HG2 H 7.046 -12.448 10.000 1.00 . A A . 29 GLU HG2 1 1 6 2163 1 1 1 GLU HG3 H 7.252 -12.478 8.248 1.00 . A A . 29 GLU HG3 1 1 6 2164 1 1 1 GLU N N 4.869 -12.477 9.322 1.00 . A A . 29 GLU N 1 1 6 2165 1 1 1 GLU O O 5.302 -10.632 6.572 1.00 . A A . 29 GLU O 1 1 6 2166 1 1 1 GLU OE1 O 9.067 -10.545 10.073 1.00 . A A . 29 GLU OE1 1 1 6 2167 1 1 1 GLU OE2 O 9.658 -12.047 8.646 1.00 . A A . 29 GLU OE2 1 1 6 2168 1 1 2 LYS C C 3.089 -9.488 5.318 1.00 . A A . 30 LYS C 1 1 6 2169 1 1 2 LYS CA C 2.718 -10.870 5.859 1.00 . A A . 30 LYS CA 1 1 6 2170 1 1 2 LYS CB C 1.195 -11.016 5.878 1.00 . A A . 30 LYS CB 1 1 6 2171 1 1 2 LYS CD C 1.162 -13.379 6.694 1.00 . A A . 30 LYS CD 1 1 6 2172 1 1 2 LYS CE C 1.750 -14.684 6.157 1.00 . A A . 30 LYS CE 1 1 6 2173 1 1 2 LYS CG C 0.814 -12.456 5.525 1.00 . A A . 30 LYS CG 1 1 6 2174 1 1 2 LYS H H 2.637 -11.224 7.982 1.00 . A A . 30 LYS H 1 1 6 2175 1 1 2 LYS HA H 3.145 -11.634 5.225 1.00 . A A . 30 LYS HA 1 1 6 2176 1 1 2 LYS HB2 H 0.822 -10.776 6.864 1.00 . A A . 30 LYS HB2 1 1 6 2177 1 1 2 LYS HB3 H 0.759 -10.344 5.155 1.00 . A A . 30 LYS HB3 1 1 6 2178 1 1 2 LYS HD2 H 1.886 -12.892 7.333 1.00 . A A . 30 LYS HD2 1 1 6 2179 1 1 2 LYS HD3 H 0.269 -13.594 7.262 1.00 . A A . 30 LYS HD3 1 1 6 2180 1 1 2 LYS HE2 H 1.026 -15.170 5.519 1.00 . A A . 30 LYS HE2 1 1 6 2181 1 1 2 LYS HE3 H 2.643 -14.469 5.589 1.00 . A A . 30 LYS HE3 1 1 6 2182 1 1 2 LYS HG2 H -0.248 -12.508 5.328 1.00 . A A . 30 LYS HG2 1 1 6 2183 1 1 2 LYS HG3 H 1.359 -12.768 4.648 1.00 . A A . 30 LYS HG3 1 1 6 2184 1 1 2 LYS HZ1 H 2.321 -15.010 8.133 1.00 . A A . 30 LYS HZ1 1 1 6 2185 1 1 2 LYS HZ2 H 2.912 -16.168 7.043 1.00 . A A . 30 LYS HZ2 1 1 6 2186 1 1 2 LYS HZ3 H 1.277 -16.196 7.507 1.00 . A A . 30 LYS HZ3 1 1 6 2187 1 1 2 LYS N N 3.248 -11.021 7.244 1.00 . A A . 30 LYS N 1 1 6 2188 1 1 2 LYS NZ N 2.091 -15.582 7.296 1.00 . A A . 30 LYS NZ 1 1 6 2189 1 1 2 LYS O O 3.213 -8.535 6.061 1.00 . A A . 30 LYS O 1 1 6 2190 1 1 3 PRO C C 2.451 -7.121 3.324 1.00 . A A . 31 PRO C 1 1 6 2191 1 1 3 PRO CA C 3.626 -8.102 3.363 1.00 . A A . 31 PRO CA 1 1 6 2192 1 1 3 PRO CB C 4.017 -8.523 1.945 1.00 . A A . 31 PRO CB 1 1 6 2193 1 1 3 PRO CD C 3.134 -10.487 3.062 1.00 . A A . 31 PRO CD 1 1 6 2194 1 1 3 PRO CG C 3.300 -9.809 1.701 1.00 . A A . 31 PRO CG 1 1 6 2195 1 1 3 PRO HA H 4.474 -7.652 3.851 1.00 . A A . 31 PRO HA 1 1 6 2196 1 1 3 PRO HB2 H 3.701 -7.773 1.232 1.00 . A A . 31 PRO HB2 1 1 6 2197 1 1 3 PRO HB3 H 5.083 -8.678 1.880 1.00 . A A . 31 PRO HB3 1 1 6 2198 1 1 3 PRO HD2 H 2.159 -10.949 3.138 1.00 . A A . 31 PRO HD2 1 1 6 2199 1 1 3 PRO HD3 H 3.914 -11.216 3.220 1.00 . A A . 31 PRO HD3 1 1 6 2200 1 1 3 PRO HG2 H 2.331 -9.613 1.261 1.00 . A A . 31 PRO HG2 1 1 6 2201 1 1 3 PRO HG3 H 3.882 -10.441 1.050 1.00 . A A . 31 PRO HG3 1 1 6 2202 1 1 3 PRO N N 3.264 -9.386 4.028 1.00 . A A . 31 PRO N 1 1 6 2203 1 1 3 PRO O O 1.349 -7.471 2.950 1.00 . A A . 31 PRO O 1 1 6 2204 1 1 4 PHE C C 1.085 -4.690 2.260 1.00 . A A . 32 PHE C 1 1 6 2205 1 1 4 PHE CA C 1.574 -4.894 3.696 1.00 . A A . 32 PHE CA 1 1 6 2206 1 1 4 PHE CB C 2.086 -3.564 4.256 1.00 . A A . 32 PHE CB 1 1 6 2207 1 1 4 PHE CD1 C 2.252 -3.851 6.754 1.00 . A A . 32 PHE CD1 1 1 6 2208 1 1 4 PHE CD2 C 0.336 -2.680 5.840 1.00 . A A . 32 PHE CD2 1 1 6 2209 1 1 4 PHE CE1 C 1.751 -3.662 8.048 1.00 . A A . 32 PHE CE1 1 1 6 2210 1 1 4 PHE CE2 C -0.166 -2.490 7.132 1.00 . A A . 32 PHE CE2 1 1 6 2211 1 1 4 PHE CG C 1.545 -3.360 5.650 1.00 . A A . 32 PHE CG 1 1 6 2212 1 1 4 PHE CZ C 0.542 -2.980 8.237 1.00 . A A . 32 PHE CZ 1 1 6 2213 1 1 4 PHE H H 3.573 -5.632 4.009 1.00 . A A . 32 PHE H 1 1 6 2214 1 1 4 PHE HA H 0.758 -5.250 4.307 1.00 . A A . 32 PHE HA 1 1 6 2215 1 1 4 PHE HB2 H 3.166 -3.580 4.287 1.00 . A A . 32 PHE HB2 1 1 6 2216 1 1 4 PHE HB3 H 1.755 -2.755 3.620 1.00 . A A . 32 PHE HB3 1 1 6 2217 1 1 4 PHE HD1 H 3.185 -4.376 6.608 1.00 . A A . 32 PHE HD1 1 1 6 2218 1 1 4 PHE HD2 H -0.210 -2.302 4.988 1.00 . A A . 32 PHE HD2 1 1 6 2219 1 1 4 PHE HE1 H 2.296 -4.039 8.899 1.00 . A A . 32 PHE HE1 1 1 6 2220 1 1 4 PHE HE2 H -1.098 -1.966 7.278 1.00 . A A . 32 PHE HE2 1 1 6 2221 1 1 4 PHE HZ H 0.155 -2.834 9.235 1.00 . A A . 32 PHE HZ 1 1 6 2222 1 1 4 PHE N N 2.678 -5.895 3.710 1.00 . A A . 32 PHE N 1 1 6 2223 1 1 4 PHE O O 1.291 -3.650 1.667 1.00 . A A . 32 PHE O 1 1 6 2224 1 1 5 SER C C -1.458 -4.899 0.325 1.00 . A A . 33 SER C 1 1 6 2225 1 1 5 SER CA C -0.064 -5.530 0.301 1.00 . A A . 33 SER CA 1 1 6 2226 1 1 5 SER CB C -0.138 -6.907 -0.360 1.00 . A A . 33 SER CB 1 1 6 2227 1 1 5 SER H H 0.279 -6.503 2.192 1.00 . A A . 33 SER H 1 1 6 2228 1 1 5 SER HA H 0.607 -4.896 -0.259 1.00 . A A . 33 SER HA 1 1 6 2229 1 1 5 SER HB2 H -0.580 -6.816 -1.338 1.00 . A A . 33 SER HB2 1 1 6 2230 1 1 5 SER HB3 H 0.862 -7.313 -0.456 1.00 . A A . 33 SER HB3 1 1 6 2231 1 1 5 SER HG H -0.411 -8.053 1.187 1.00 . A A . 33 SER HG 1 1 6 2232 1 1 5 SER N N 0.437 -5.673 1.697 1.00 . A A . 33 SER N 1 1 6 2233 1 1 5 SER O O -2.186 -5.021 1.290 1.00 . A A . 33 SER O 1 1 6 2234 1 1 5 SER OG O -0.938 -7.768 0.438 1.00 . A A . 33 SER OG 1 1 6 2235 1 1 6 CYS C C -4.246 -4.649 -1.042 1.00 . A A . 34 CYS C 1 1 6 2236 1 1 6 CYS CA C -3.182 -3.588 -0.755 1.00 . A A . 34 CYS CA 1 1 6 2237 1 1 6 CYS CB C -3.221 -2.520 -1.848 1.00 . A A . 34 CYS CB 1 1 6 2238 1 1 6 CYS H H -1.232 -4.137 -1.497 1.00 . A A . 34 CYS H 1 1 6 2239 1 1 6 CYS HA H -3.382 -3.129 0.203 1.00 . A A . 34 CYS HA 1 1 6 2240 1 1 6 CYS HB2 H -2.416 -1.817 -1.695 1.00 . A A . 34 CYS HB2 1 1 6 2241 1 1 6 CYS HB3 H -3.110 -2.990 -2.814 1.00 . A A . 34 CYS HB3 1 1 6 2242 1 1 6 CYS N N -1.835 -4.225 -0.727 1.00 . A A . 34 CYS N 1 1 6 2243 1 1 6 CYS O O -3.951 -5.821 -1.166 1.00 . A A . 34 CYS O 1 1 6 2244 1 1 6 CYS SG S -4.806 -1.647 -1.781 1.00 . A A . 34 CYS SG 1 1 6 2245 1 1 7 SER C C -6.776 -5.350 -2.935 1.00 . A A . 35 SER C 1 1 6 2246 1 1 7 SER CA C -6.567 -5.234 -1.424 1.00 . A A . 35 SER CA 1 1 6 2247 1 1 7 SER CB C -7.865 -4.766 -0.765 1.00 . A A . 35 SER CB 1 1 6 2248 1 1 7 SER H H -5.702 -3.298 -1.041 1.00 . A A . 35 SER H 1 1 6 2249 1 1 7 SER HA H -6.288 -6.197 -1.024 1.00 . A A . 35 SER HA 1 1 6 2250 1 1 7 SER HB2 H -7.711 -4.644 0.293 1.00 . A A . 35 SER HB2 1 1 6 2251 1 1 7 SER HB3 H -8.165 -3.819 -1.194 1.00 . A A . 35 SER HB3 1 1 6 2252 1 1 7 SER HG H -8.466 -6.517 -1.366 1.00 . A A . 35 SER HG 1 1 6 2253 1 1 7 SER N N -5.485 -4.248 -1.146 1.00 . A A . 35 SER N 1 1 6 2254 1 1 7 SER O O -6.564 -6.393 -3.522 1.00 . A A . 35 SER O 1 1 6 2255 1 1 7 SER OG O -8.878 -5.740 -0.981 1.00 . A A . 35 SER OG 1 1 6 2256 1 1 8 LEU C C -6.341 -3.521 -5.757 1.00 . A A . 36 LEU C 1 1 6 2257 1 1 8 LEU CA C -7.415 -4.345 -5.044 1.00 . A A . 36 LEU CA 1 1 6 2258 1 1 8 LEU CB C -8.794 -3.771 -5.374 1.00 . A A . 36 LEU CB 1 1 6 2259 1 1 8 LEU CD1 C -10.898 -4.155 -6.663 1.00 . A A . 36 LEU CD1 1 1 6 2260 1 1 8 LEU CD2 C -8.680 -4.542 -7.746 1.00 . A A . 36 LEU CD2 1 1 6 2261 1 1 8 LEU CG C -9.466 -4.640 -6.437 1.00 . A A . 36 LEU CG 1 1 6 2262 1 1 8 LEU H H -7.360 -3.457 -3.082 1.00 . A A . 36 LEU H 1 1 6 2263 1 1 8 LEU HA H -7.361 -5.370 -5.379 1.00 . A A . 36 LEU HA 1 1 6 2264 1 1 8 LEU HB2 H -9.401 -3.760 -4.480 1.00 . A A . 36 LEU HB2 1 1 6 2265 1 1 8 LEU HB3 H -8.686 -2.766 -5.749 1.00 . A A . 36 LEU HB3 1 1 6 2266 1 1 8 LEU HD11 H -11.121 -4.172 -7.720 1.00 . A A . 36 LEU HD11 1 1 6 2267 1 1 8 LEU HD12 H -11.000 -3.147 -6.289 1.00 . A A . 36 LEU HD12 1 1 6 2268 1 1 8 LEU HD13 H -11.585 -4.805 -6.140 1.00 . A A . 36 LEU HD13 1 1 6 2269 1 1 8 LEU HD21 H -7.627 -4.675 -7.546 1.00 . A A . 36 LEU HD21 1 1 6 2270 1 1 8 LEU HD22 H -8.843 -3.571 -8.191 1.00 . A A . 36 LEU HD22 1 1 6 2271 1 1 8 LEU HD23 H -9.017 -5.309 -8.428 1.00 . A A . 36 LEU HD23 1 1 6 2272 1 1 8 LEU HG H -9.483 -5.667 -6.102 1.00 . A A . 36 LEU HG 1 1 6 2273 1 1 8 LEU N N -7.192 -4.289 -3.572 1.00 . A A . 36 LEU N 1 1 6 2274 1 1 8 LEU O O -6.497 -2.336 -5.971 1.00 . A A . 36 LEU O 1 1 6 2275 1 1 9 CYS C C -2.823 -4.076 -6.511 1.00 . A A . 37 CYS C 1 1 6 2276 1 1 9 CYS CA C -4.162 -3.410 -6.831 1.00 . A A . 37 CYS CA 1 1 6 2277 1 1 9 CYS CB C -4.123 -1.951 -6.364 1.00 . A A . 37 CYS CB 1 1 6 2278 1 1 9 CYS H H -5.157 -5.101 -5.945 1.00 . A A . 37 CYS H 1 1 6 2279 1 1 9 CYS HA H -4.335 -3.442 -7.896 1.00 . A A . 37 CYS HA 1 1 6 2280 1 1 9 CYS HB2 H -3.142 -1.541 -6.553 1.00 . A A . 37 CYS HB2 1 1 6 2281 1 1 9 CYS HB3 H -4.860 -1.378 -6.907 1.00 . A A . 37 CYS HB3 1 1 6 2282 1 1 9 CYS N N -5.254 -4.144 -6.127 1.00 . A A . 37 CYS N 1 1 6 2283 1 1 9 CYS O O -2.199 -3.783 -5.511 1.00 . A A . 37 CYS O 1 1 6 2284 1 1 9 CYS SG S -4.477 -1.868 -4.590 1.00 . A A . 37 CYS SG 1 1 6 2285 1 1 10 PRO C C 0.048 -4.752 -6.796 1.00 . A A . 38 PRO C 1 1 6 2286 1 1 10 PRO CA C -1.099 -5.697 -7.164 1.00 . A A . 38 PRO CA 1 1 6 2287 1 1 10 PRO CB C -0.846 -6.348 -8.523 1.00 . A A . 38 PRO CB 1 1 6 2288 1 1 10 PRO CD C -3.072 -5.389 -8.588 1.00 . A A . 38 PRO CD 1 1 6 2289 1 1 10 PRO CG C -2.197 -6.518 -9.137 1.00 . A A . 38 PRO CG 1 1 6 2290 1 1 10 PRO HA H -1.209 -6.462 -6.413 1.00 . A A . 38 PRO HA 1 1 6 2291 1 1 10 PRO HB2 H -0.231 -5.703 -9.138 1.00 . A A . 38 PRO HB2 1 1 6 2292 1 1 10 PRO HB3 H -0.374 -7.309 -8.398 1.00 . A A . 38 PRO HB3 1 1 6 2293 1 1 10 PRO HD2 H -3.120 -4.571 -9.296 1.00 . A A . 38 PRO HD2 1 1 6 2294 1 1 10 PRO HD3 H -4.063 -5.753 -8.359 1.00 . A A . 38 PRO HD3 1 1 6 2295 1 1 10 PRO HG2 H -2.125 -6.447 -10.214 1.00 . A A . 38 PRO HG2 1 1 6 2296 1 1 10 PRO HG3 H -2.616 -7.470 -8.853 1.00 . A A . 38 PRO HG3 1 1 6 2297 1 1 10 PRO N N -2.386 -4.970 -7.355 1.00 . A A . 38 PRO N 1 1 6 2298 1 1 10 PRO O O 0.893 -4.440 -7.612 1.00 . A A . 38 PRO O 1 1 6 2299 1 1 11 GLN C C 1.487 -3.583 -3.673 1.00 . A A . 39 GLN C 1 1 6 2300 1 1 11 GLN CA C 1.178 -3.373 -5.157 1.00 . A A . 39 GLN CA 1 1 6 2301 1 1 11 GLN CB C 0.742 -1.925 -5.389 1.00 . A A . 39 GLN CB 1 1 6 2302 1 1 11 GLN CD C -0.787 -0.106 -4.617 1.00 . A A . 39 GLN CD 1 1 6 2303 1 1 11 GLN CG C -0.306 -1.532 -4.344 1.00 . A A . 39 GLN CG 1 1 6 2304 1 1 11 GLN H H -0.605 -4.560 -4.930 1.00 . A A . 39 GLN H 1 1 6 2305 1 1 11 GLN HA H 2.064 -3.579 -5.741 1.00 . A A . 39 GLN HA 1 1 6 2306 1 1 11 GLN HB2 H 1.598 -1.273 -5.303 1.00 . A A . 39 GLN HB2 1 1 6 2307 1 1 11 GLN HB3 H 0.315 -1.831 -6.376 1.00 . A A . 39 GLN HB3 1 1 6 2308 1 1 11 GLN HE21 H -1.768 -0.600 -6.270 1.00 . A A . 39 GLN HE21 1 1 6 2309 1 1 11 GLN HE22 H -1.838 1.042 -5.849 1.00 . A A . 39 GLN HE22 1 1 6 2310 1 1 11 GLN HG2 H -1.144 -2.212 -4.401 1.00 . A A . 39 GLN HG2 1 1 6 2311 1 1 11 GLN HG3 H 0.131 -1.580 -3.359 1.00 . A A . 39 GLN HG3 1 1 6 2312 1 1 11 GLN N N 0.085 -4.296 -5.573 1.00 . A A . 39 GLN N 1 1 6 2313 1 1 11 GLN NE2 N -1.526 0.132 -5.666 1.00 . A A . 39 GLN NE2 1 1 6 2314 1 1 11 GLN O O 0.612 -3.877 -2.882 1.00 . A A . 39 GLN O 1 1 6 2315 1 1 11 GLN OE1 O -0.485 0.802 -3.868 1.00 . A A . 39 GLN OE1 1 1 6 2316 1 1 12 ARG C C 3.766 -2.357 -1.332 1.00 . A A . 40 ARG C 1 1 6 2317 1 1 12 ARG CA C 3.095 -3.627 -1.861 1.00 . A A . 40 ARG CA 1 1 6 2318 1 1 12 ARG CB C 4.064 -4.804 -1.740 1.00 . A A . 40 ARG CB 1 1 6 2319 1 1 12 ARG CD C 4.251 -7.278 -2.049 1.00 . A A . 40 ARG CD 1 1 6 2320 1 1 12 ARG CG C 3.282 -6.118 -1.806 1.00 . A A . 40 ARG CG 1 1 6 2321 1 1 12 ARG CZ C 4.100 -7.857 -4.396 1.00 . A A . 40 ARG CZ 1 1 6 2322 1 1 12 ARG H H 3.415 -3.199 -3.947 1.00 . A A . 40 ARG H 1 1 6 2323 1 1 12 ARG HA H 2.205 -3.831 -1.284 1.00 . A A . 40 ARG HA 1 1 6 2324 1 1 12 ARG HB2 H 4.778 -4.766 -2.549 1.00 . A A . 40 ARG HB2 1 1 6 2325 1 1 12 ARG HB3 H 4.585 -4.746 -0.796 1.00 . A A . 40 ARG HB3 1 1 6 2326 1 1 12 ARG HD2 H 5.225 -6.887 -2.303 1.00 . A A . 40 ARG HD2 1 1 6 2327 1 1 12 ARG HD3 H 4.327 -7.876 -1.153 1.00 . A A . 40 ARG HD3 1 1 6 2328 1 1 12 ARG HE H 3.148 -8.875 -2.983 1.00 . A A . 40 ARG HE 1 1 6 2329 1 1 12 ARG HG2 H 2.759 -6.274 -0.874 1.00 . A A . 40 ARG HG2 1 1 6 2330 1 1 12 ARG HG3 H 2.569 -6.073 -2.617 1.00 . A A . 40 ARG HG3 1 1 6 2331 1 1 12 ARG HH11 H 5.237 -6.288 -3.892 1.00 . A A . 40 ARG HH11 1 1 6 2332 1 1 12 ARG HH12 H 5.168 -6.651 -5.585 1.00 . A A . 40 ARG HH12 1 1 6 2333 1 1 12 ARG HH21 H 3.047 -9.365 -5.188 1.00 . A A . 40 ARG HH21 1 1 6 2334 1 1 12 ARG HH22 H 3.928 -8.393 -6.318 1.00 . A A . 40 ARG HH22 1 1 6 2335 1 1 12 ARG N N 2.725 -3.435 -3.291 1.00 . A A . 40 ARG N 1 1 6 2336 1 1 12 ARG NE N 3.745 -8.122 -3.168 1.00 . A A . 40 ARG NE 1 1 6 2337 1 1 12 ARG NH1 N 4.897 -6.854 -4.644 1.00 . A A . 40 ARG NH1 1 1 6 2338 1 1 12 ARG NH2 N 3.657 -8.596 -5.377 1.00 . A A . 40 ARG NH2 1 1 6 2339 1 1 12 ARG O O 4.500 -1.693 -2.035 1.00 . A A . 40 ARG O 1 1 6 2340 1 1 13 SER C C 4.793 -1.129 1.821 1.00 . A A . 41 SER C 1 1 6 2341 1 1 13 SER CA C 4.147 -0.792 0.476 1.00 . A A . 41 SER CA 1 1 6 2342 1 1 13 SER CB C 3.075 0.280 0.679 1.00 . A A . 41 SER CB 1 1 6 2343 1 1 13 SER H H 2.926 -2.567 0.456 1.00 . A A . 41 SER H 1 1 6 2344 1 1 13 SER HA H 4.901 -0.423 -0.202 1.00 . A A . 41 SER HA 1 1 6 2345 1 1 13 SER HB2 H 3.492 1.111 1.223 1.00 . A A . 41 SER HB2 1 1 6 2346 1 1 13 SER HB3 H 2.725 0.624 -0.285 1.00 . A A . 41 SER HB3 1 1 6 2347 1 1 13 SER HG H 2.217 -0.213 2.353 1.00 . A A . 41 SER HG 1 1 6 2348 1 1 13 SER N N 3.521 -2.017 -0.096 1.00 . A A . 41 SER N 1 1 6 2349 1 1 13 SER O O 4.910 -2.281 2.193 1.00 . A A . 41 SER O 1 1 6 2350 1 1 13 SER OG O 1.994 -0.270 1.421 1.00 . A A . 41 SER OG 1 1 6 2351 1 1 14 ARG C C 5.540 0.746 4.837 1.00 . A A . 42 ARG C 1 1 6 2352 1 1 14 ARG CA C 5.851 -0.402 3.874 1.00 . A A . 42 ARG CA 1 1 6 2353 1 1 14 ARG CB C 7.367 -0.521 3.693 1.00 . A A . 42 ARG CB 1 1 6 2354 1 1 14 ARG CD C 9.338 -2.042 3.926 1.00 . A A . 42 ARG CD 1 1 6 2355 1 1 14 ARG CG C 7.828 -1.909 4.143 1.00 . A A . 42 ARG CG 1 1 6 2356 1 1 14 ARG CZ C 11.196 -0.510 4.187 1.00 . A A . 42 ARG CZ 1 1 6 2357 1 1 14 ARG H H 5.110 0.786 2.238 1.00 . A A . 42 ARG H 1 1 6 2358 1 1 14 ARG HA H 5.464 -1.326 4.280 1.00 . A A . 42 ARG HA 1 1 6 2359 1 1 14 ARG HB2 H 7.616 -0.378 2.650 1.00 . A A . 42 ARG HB2 1 1 6 2360 1 1 14 ARG HB3 H 7.861 0.232 4.288 1.00 . A A . 42 ARG HB3 1 1 6 2361 1 1 14 ARG HD2 H 9.773 -2.582 4.752 1.00 . A A . 42 ARG HD2 1 1 6 2362 1 1 14 ARG HD3 H 9.523 -2.579 3.007 1.00 . A A . 42 ARG HD3 1 1 6 2363 1 1 14 ARG HE H 9.416 0.074 3.526 1.00 . A A . 42 ARG HE 1 1 6 2364 1 1 14 ARG HG2 H 7.602 -2.041 5.191 1.00 . A A . 42 ARG HG2 1 1 6 2365 1 1 14 ARG HG3 H 7.316 -2.663 3.566 1.00 . A A . 42 ARG HG3 1 1 6 2366 1 1 14 ARG HH11 H 11.496 -2.433 4.660 1.00 . A A . 42 ARG HH11 1 1 6 2367 1 1 14 ARG HH12 H 12.860 -1.388 4.870 1.00 . A A . 42 ARG HH12 1 1 6 2368 1 1 14 ARG HH21 H 11.188 1.453 3.795 1.00 . A A . 42 ARG HH21 1 1 6 2369 1 1 14 ARG HH22 H 12.687 0.812 4.380 1.00 . A A . 42 ARG HH22 1 1 6 2370 1 1 14 ARG N N 5.213 -0.135 2.555 1.00 . A A . 42 ARG N 1 1 6 2371 1 1 14 ARG NE N 9.949 -0.686 3.841 1.00 . A A . 42 ARG NE 1 1 6 2372 1 1 14 ARG NH1 N 11.906 -1.522 4.604 1.00 . A A . 42 ARG NH1 1 1 6 2373 1 1 14 ARG NH2 N 11.732 0.677 4.115 1.00 . A A . 42 ARG NH2 1 1 6 2374 1 1 14 ARG O O 5.107 0.534 5.951 1.00 . A A . 42 ARG O 1 1 6 2375 1 1 15 ASP C C 4.150 3.772 4.893 1.00 . A A . 43 ASP C 1 1 6 2376 1 1 15 ASP CA C 5.472 3.121 5.307 1.00 . A A . 43 ASP CA 1 1 6 2377 1 1 15 ASP CB C 6.603 4.144 5.189 1.00 . A A . 43 ASP CB 1 1 6 2378 1 1 15 ASP CG C 7.504 4.057 6.423 1.00 . A A . 43 ASP CG 1 1 6 2379 1 1 15 ASP H H 6.107 2.113 3.512 1.00 . A A . 43 ASP H 1 1 6 2380 1 1 15 ASP HA H 5.401 2.780 6.328 1.00 . A A . 43 ASP HA 1 1 6 2381 1 1 15 ASP HB2 H 7.185 3.937 4.302 1.00 . A A . 43 ASP HB2 1 1 6 2382 1 1 15 ASP HB3 H 6.186 5.138 5.120 1.00 . A A . 43 ASP HB3 1 1 6 2383 1 1 15 ASP N N 5.756 1.962 4.414 1.00 . A A . 43 ASP N 1 1 6 2384 1 1 15 ASP O O 3.874 3.948 3.723 1.00 . A A . 43 ASP O 1 1 6 2385 1 1 15 ASP OD1 O 7.925 2.959 6.746 1.00 . A A . 43 ASP OD1 1 1 6 2386 1 1 15 ASP OD2 O 7.756 5.089 7.022 1.00 . A A . 43 ASP OD2 1 1 6 2387 1 1 16 PHE C C 2.250 5.837 4.428 1.00 . A A . 44 PHE C 1 1 6 2388 1 1 16 PHE CA C 2.028 4.770 5.502 1.00 . A A . 44 PHE CA 1 1 6 2389 1 1 16 PHE CB C 1.434 5.422 6.752 1.00 . A A . 44 PHE CB 1 1 6 2390 1 1 16 PHE CD1 C -0.705 4.094 6.628 1.00 . A A . 44 PHE CD1 1 1 6 2391 1 1 16 PHE CD2 C -0.838 6.515 6.698 1.00 . A A . 44 PHE CD2 1 1 6 2392 1 1 16 PHE CE1 C -2.102 4.020 6.571 1.00 . A A . 44 PHE CE1 1 1 6 2393 1 1 16 PHE CE2 C -2.234 6.440 6.641 1.00 . A A . 44 PHE CE2 1 1 6 2394 1 1 16 PHE CG C -0.073 5.342 6.691 1.00 . A A . 44 PHE CG 1 1 6 2395 1 1 16 PHE CZ C -2.867 5.192 6.577 1.00 . A A . 44 PHE CZ 1 1 6 2396 1 1 16 PHE H H 3.573 3.981 6.782 1.00 . A A . 44 PHE H 1 1 6 2397 1 1 16 PHE HA H 1.348 4.020 5.130 1.00 . A A . 44 PHE HA 1 1 6 2398 1 1 16 PHE HB2 H 1.787 4.905 7.632 1.00 . A A . 44 PHE HB2 1 1 6 2399 1 1 16 PHE HB3 H 1.737 6.458 6.797 1.00 . A A . 44 PHE HB3 1 1 6 2400 1 1 16 PHE HD1 H -0.116 3.190 6.622 1.00 . A A . 44 PHE HD1 1 1 6 2401 1 1 16 PHE HD2 H -0.350 7.478 6.747 1.00 . A A . 44 PHE HD2 1 1 6 2402 1 1 16 PHE HE1 H -2.590 3.058 6.522 1.00 . A A . 44 PHE HE1 1 1 6 2403 1 1 16 PHE HE2 H -2.824 7.345 6.647 1.00 . A A . 44 PHE HE2 1 1 6 2404 1 1 16 PHE HZ H -3.944 5.135 6.534 1.00 . A A . 44 PHE HZ 1 1 6 2405 1 1 16 PHE N N 3.331 4.132 5.844 1.00 . A A . 44 PHE N 1 1 6 2406 1 1 16 PHE O O 1.465 5.982 3.512 1.00 . A A . 44 PHE O 1 1 6 2407 1 1 17 SER C C 3.472 7.037 2.113 1.00 . A A . 45 SER C 1 1 6 2408 1 1 17 SER CA C 3.586 7.638 3.515 1.00 . A A . 45 SER CA 1 1 6 2409 1 1 17 SER CB C 4.996 8.192 3.718 1.00 . A A . 45 SER CB 1 1 6 2410 1 1 17 SER H H 3.936 6.450 5.278 1.00 . A A . 45 SER H 1 1 6 2411 1 1 17 SER HA H 2.865 8.437 3.624 1.00 . A A . 45 SER HA 1 1 6 2412 1 1 17 SER HB2 H 4.942 9.153 4.203 1.00 . A A . 45 SER HB2 1 1 6 2413 1 1 17 SER HB3 H 5.562 7.510 4.339 1.00 . A A . 45 SER HB3 1 1 6 2414 1 1 17 SER HG H 5.524 7.517 1.972 1.00 . A A . 45 SER HG 1 1 6 2415 1 1 17 SER N N 3.315 6.583 4.532 1.00 . A A . 45 SER N 1 1 6 2416 1 1 17 SER O O 2.911 7.632 1.215 1.00 . A A . 45 SER O 1 1 6 2417 1 1 17 SER OG O 5.629 8.340 2.454 1.00 . A A . 45 SER OG 1 1 6 2418 1 1 18 ALA C C 2.586 4.480 0.442 1.00 . A A . 46 ALA C 1 1 6 2419 1 1 18 ALA CA C 3.919 5.219 0.575 1.00 . A A . 46 ALA CA 1 1 6 2420 1 1 18 ALA CB C 5.072 4.227 0.414 1.00 . A A . 46 ALA CB 1 1 6 2421 1 1 18 ALA H H 4.445 5.394 2.657 1.00 . A A . 46 ALA H 1 1 6 2422 1 1 18 ALA HA H 3.988 5.979 -0.190 1.00 . A A . 46 ALA HA 1 1 6 2423 1 1 18 ALA HB1 H 5.522 4.038 1.378 1.00 . A A . 46 ALA HB1 1 1 6 2424 1 1 18 ALA HB2 H 5.813 4.641 -0.255 1.00 . A A . 46 ALA HB2 1 1 6 2425 1 1 18 ALA HB3 H 4.696 3.301 0.006 1.00 . A A . 46 ALA HB3 1 1 6 2426 1 1 18 ALA N N 3.998 5.859 1.919 1.00 . A A . 46 ALA N 1 1 6 2427 1 1 18 ALA O O 2.018 4.395 -0.629 1.00 . A A . 46 ALA O 1 1 6 2428 1 1 19 MET C C -0.357 4.220 1.330 1.00 . A A . 47 MET C 1 1 6 2429 1 1 19 MET CA C 0.788 3.214 1.455 1.00 . A A . 47 MET CA 1 1 6 2430 1 1 19 MET CB C 0.604 2.387 2.729 1.00 . A A . 47 MET CB 1 1 6 2431 1 1 19 MET CE C -1.777 0.676 4.753 1.00 . A A . 47 MET CE 1 1 6 2432 1 1 19 MET CG C -0.426 1.283 2.477 1.00 . A A . 47 MET CG 1 1 6 2433 1 1 19 MET H H 2.558 4.026 2.375 1.00 . A A . 47 MET H 1 1 6 2434 1 1 19 MET HA H 0.787 2.559 0.597 1.00 . A A . 47 MET HA 1 1 6 2435 1 1 19 MET HB2 H 1.547 1.941 3.008 1.00 . A A . 47 MET HB2 1 1 6 2436 1 1 19 MET HB3 H 0.256 3.025 3.527 1.00 . A A . 47 MET HB3 1 1 6 2437 1 1 19 MET HE1 H -1.891 1.739 4.586 1.00 . A A . 47 MET HE1 1 1 6 2438 1 1 19 MET HE2 H -1.622 0.488 5.807 1.00 . A A . 47 MET HE2 1 1 6 2439 1 1 19 MET HE3 H -2.667 0.165 4.426 1.00 . A A . 47 MET HE3 1 1 6 2440 1 1 19 MET HG2 H -1.415 1.716 2.438 1.00 . A A . 47 MET HG2 1 1 6 2441 1 1 19 MET HG3 H -0.210 0.796 1.538 1.00 . A A . 47 MET HG3 1 1 6 2442 1 1 19 MET N N 2.084 3.946 1.520 1.00 . A A . 47 MET N 1 1 6 2443 1 1 19 MET O O -1.427 3.901 0.848 1.00 . A A . 47 MET O 1 1 6 2444 1 1 19 MET SD S -0.351 0.071 3.818 1.00 . A A . 47 MET SD 1 1 6 2445 1 1 20 THR C C -1.333 6.948 0.221 1.00 . A A . 48 THR C 1 1 6 2446 1 1 20 THR CA C -1.222 6.457 1.664 1.00 . A A . 48 THR CA 1 1 6 2447 1 1 20 THR CB C -0.895 7.639 2.574 1.00 . A A . 48 THR CB 1 1 6 2448 1 1 20 THR CG2 C -1.023 7.213 4.037 1.00 . A A . 48 THR CG2 1 1 6 2449 1 1 20 THR H H 0.726 5.672 2.146 1.00 . A A . 48 THR H 1 1 6 2450 1 1 20 THR HA H -2.161 6.019 1.968 1.00 . A A . 48 THR HA 1 1 6 2451 1 1 20 THR HB H -1.586 8.442 2.377 1.00 . A A . 48 THR HB 1 1 6 2452 1 1 20 THR HG1 H 0.507 8.985 2.623 1.00 . A A . 48 THR HG1 1 1 6 2453 1 1 20 THR HG21 H -1.823 7.766 4.505 1.00 . A A . 48 THR HG21 1 1 6 2454 1 1 20 THR HG22 H -0.096 7.414 4.553 1.00 . A A . 48 THR HG22 1 1 6 2455 1 1 20 THR HG23 H -1.239 6.155 4.087 1.00 . A A . 48 THR HG23 1 1 6 2456 1 1 20 THR N N -0.144 5.433 1.760 1.00 . A A . 48 THR N 1 1 6 2457 1 1 20 THR O O -2.402 6.977 -0.354 1.00 . A A . 48 THR O 1 1 6 2458 1 1 20 THR OG1 O 0.432 8.079 2.319 1.00 . A A . 48 THR OG1 1 1 6 2459 1 1 21 LYS C C -1.028 6.769 -2.614 1.00 . A A . 49 LYS C 1 1 6 2460 1 1 21 LYS CA C -0.292 7.812 -1.781 1.00 . A A . 49 LYS CA 1 1 6 2461 1 1 21 LYS CB C 1.126 7.989 -2.324 1.00 . A A . 49 LYS CB 1 1 6 2462 1 1 21 LYS CD C 2.204 10.198 -2.781 1.00 . A A . 49 LYS CD 1 1 6 2463 1 1 21 LYS CE C 2.938 11.382 -2.149 1.00 . A A . 49 LYS CE 1 1 6 2464 1 1 21 LYS CG C 1.771 9.222 -1.686 1.00 . A A . 49 LYS CG 1 1 6 2465 1 1 21 LYS H H 0.620 7.297 0.101 1.00 . A A . 49 LYS H 1 1 6 2466 1 1 21 LYS HA H -0.821 8.753 -1.825 1.00 . A A . 49 LYS HA 1 1 6 2467 1 1 21 LYS HB2 H 1.712 7.112 -2.089 1.00 . A A . 49 LYS HB2 1 1 6 2468 1 1 21 LYS HB3 H 1.087 8.118 -3.395 1.00 . A A . 49 LYS HB3 1 1 6 2469 1 1 21 LYS HD2 H 2.863 9.692 -3.473 1.00 . A A . 49 LYS HD2 1 1 6 2470 1 1 21 LYS HD3 H 1.334 10.556 -3.310 1.00 . A A . 49 LYS HD3 1 1 6 2471 1 1 21 LYS HE2 H 2.261 11.921 -1.503 1.00 . A A . 49 LYS HE2 1 1 6 2472 1 1 21 LYS HE3 H 3.776 11.021 -1.572 1.00 . A A . 49 LYS HE3 1 1 6 2473 1 1 21 LYS HG2 H 1.056 9.704 -1.034 1.00 . A A . 49 LYS HG2 1 1 6 2474 1 1 21 LYS HG3 H 2.634 8.921 -1.112 1.00 . A A . 49 LYS HG3 1 1 6 2475 1 1 21 LYS HZ1 H 3.146 13.268 -3.008 1.00 . A A . 49 LYS HZ1 1 1 6 2476 1 1 21 LYS HZ2 H 3.022 12.005 -4.134 1.00 . A A . 49 LYS HZ2 1 1 6 2477 1 1 21 LYS HZ3 H 4.468 12.235 -3.274 1.00 . A A . 49 LYS HZ3 1 1 6 2478 1 1 21 LYS N N -0.236 7.332 -0.374 1.00 . A A . 49 LYS N 1 1 6 2479 1 1 21 LYS NZ N 3.430 12.291 -3.222 1.00 . A A . 49 LYS NZ 1 1 6 2480 1 1 21 LYS O O -1.804 7.088 -3.492 1.00 . A A . 49 LYS O 1 1 6 2481 1 1 22 HIS C C -2.989 4.682 -3.037 1.00 . A A . 50 HIS C 1 1 6 2482 1 1 22 HIS CA C -1.479 4.443 -3.091 1.00 . A A . 50 HIS CA 1 1 6 2483 1 1 22 HIS CB C -1.153 3.089 -2.461 1.00 . A A . 50 HIS CB 1 1 6 2484 1 1 22 HIS CD2 C -2.561 0.874 -2.280 1.00 . A A . 50 HIS CD2 1 1 6 2485 1 1 22 HIS CE1 C -4.056 1.337 -3.778 1.00 . A A . 50 HIS CE1 1 1 6 2486 1 1 22 HIS CG C -2.252 2.114 -2.783 1.00 . A A . 50 HIS CG 1 1 6 2487 1 1 22 HIS H H -0.168 5.289 -1.613 1.00 . A A . 50 HIS H 1 1 6 2488 1 1 22 HIS HA H -1.147 4.455 -4.118 1.00 . A A . 50 HIS HA 1 1 6 2489 1 1 22 HIS HB2 H -0.217 2.725 -2.856 1.00 . A A . 50 HIS HB2 1 1 6 2490 1 1 22 HIS HB3 H -1.074 3.200 -1.389 1.00 . A A . 50 HIS HB3 1 1 6 2491 1 1 22 HIS HD1 H -3.277 3.194 -4.288 1.00 . A A . 50 HIS HD1 1 1 6 2492 1 1 22 HIS HD2 H -2.003 0.358 -1.512 1.00 . A A . 50 HIS HD2 1 1 6 2493 1 1 22 HIS HE1 H -4.915 1.278 -4.427 1.00 . A A . 50 HIS HE1 1 1 6 2494 1 1 22 HIS N N -0.793 5.519 -2.332 1.00 . A A . 50 HIS N 1 1 6 2495 1 1 22 HIS ND1 N -3.217 2.385 -3.738 1.00 . A A . 50 HIS ND1 1 1 6 2496 1 1 22 HIS NE2 N -3.702 0.386 -2.910 1.00 . A A . 50 HIS NE2 1 1 6 2497 1 1 22 HIS O O -3.672 4.621 -4.039 1.00 . A A . 50 HIS O 1 1 6 2498 1 1 23 LEU C C -5.291 6.569 -2.392 1.00 . A A . 51 LEU C 1 1 6 2499 1 1 23 LEU CA C -4.983 5.202 -1.780 1.00 . A A . 51 LEU CA 1 1 6 2500 1 1 23 LEU CB C -5.429 5.178 -0.315 1.00 . A A . 51 LEU CB 1 1 6 2501 1 1 23 LEU CD1 C -4.693 4.762 2.036 1.00 . A A . 51 LEU CD1 1 1 6 2502 1 1 23 LEU CD2 C -4.091 3.140 0.237 1.00 . A A . 51 LEU CD2 1 1 6 2503 1 1 23 LEU CG C -4.306 4.620 0.563 1.00 . A A . 51 LEU CG 1 1 6 2504 1 1 23 LEU H H -2.955 5.010 -1.075 1.00 . A A . 51 LEU H 1 1 6 2505 1 1 23 LEU HA H -5.512 4.437 -2.332 1.00 . A A . 51 LEU HA 1 1 6 2506 1 1 23 LEU HB2 H -5.668 6.182 0.003 1.00 . A A . 51 LEU HB2 1 1 6 2507 1 1 23 LEU HB3 H -6.303 4.551 -0.218 1.00 . A A . 51 LEU HB3 1 1 6 2508 1 1 23 LEU HD11 H -4.340 5.711 2.412 1.00 . A A . 51 LEU HD11 1 1 6 2509 1 1 23 LEU HD12 H -4.245 3.960 2.605 1.00 . A A . 51 LEU HD12 1 1 6 2510 1 1 23 LEU HD13 H -5.768 4.715 2.133 1.00 . A A . 51 LEU HD13 1 1 6 2511 1 1 23 LEU HD21 H -3.497 2.683 1.016 1.00 . A A . 51 LEU HD21 1 1 6 2512 1 1 23 LEU HD22 H -3.574 3.050 -0.707 1.00 . A A . 51 LEU HD22 1 1 6 2513 1 1 23 LEU HD23 H -5.047 2.642 0.173 1.00 . A A . 51 LEU HD23 1 1 6 2514 1 1 23 LEU HG H -3.396 5.169 0.379 1.00 . A A . 51 LEU HG 1 1 6 2515 1 1 23 LEU N N -3.519 4.957 -1.876 1.00 . A A . 51 LEU N 1 1 6 2516 1 1 23 LEU O O -6.314 6.767 -3.016 1.00 . A A . 51 LEU O 1 1 6 2517 1 1 24 ARG C C -4.382 8.780 -4.326 1.00 . A A . 52 ARG C 1 1 6 2518 1 1 24 ARG CA C -4.628 8.858 -2.819 1.00 . A A . 52 ARG CA 1 1 6 2519 1 1 24 ARG CB C -3.660 9.864 -2.193 1.00 . A A . 52 ARG CB 1 1 6 2520 1 1 24 ARG CD C -3.262 12.322 -1.951 1.00 . A A . 52 ARG CD 1 1 6 2521 1 1 24 ARG CG C -4.330 11.238 -2.112 1.00 . A A . 52 ARG CG 1 1 6 2522 1 1 24 ARG CZ C -2.592 13.824 -0.171 1.00 . A A . 52 ARG CZ 1 1 6 2523 1 1 24 ARG H H -3.575 7.325 -1.735 1.00 . A A . 52 ARG H 1 1 6 2524 1 1 24 ARG HA H -5.647 9.168 -2.633 1.00 . A A . 52 ARG HA 1 1 6 2525 1 1 24 ARG HB2 H -3.391 9.535 -1.198 1.00 . A A . 52 ARG HB2 1 1 6 2526 1 1 24 ARG HB3 H -2.770 9.934 -2.800 1.00 . A A . 52 ARG HB3 1 1 6 2527 1 1 24 ARG HD2 H -2.289 11.861 -1.872 1.00 . A A . 52 ARG HD2 1 1 6 2528 1 1 24 ARG HD3 H -3.282 12.978 -2.808 1.00 . A A . 52 ARG HD3 1 1 6 2529 1 1 24 ARG HE H -4.431 13.090 -0.312 1.00 . A A . 52 ARG HE 1 1 6 2530 1 1 24 ARG HG2 H -4.891 11.416 -3.019 1.00 . A A . 52 ARG HG2 1 1 6 2531 1 1 24 ARG HG3 H -4.997 11.264 -1.265 1.00 . A A . 52 ARG HG3 1 1 6 2532 1 1 24 ARG HH11 H -1.218 13.327 -1.540 1.00 . A A . 52 ARG HH11 1 1 6 2533 1 1 24 ARG HH12 H -0.679 14.400 -0.292 1.00 . A A . 52 ARG HH12 1 1 6 2534 1 1 24 ARG HH21 H -3.745 14.489 1.325 1.00 . A A . 52 ARG HH21 1 1 6 2535 1 1 24 ARG HH22 H -2.109 15.057 1.331 1.00 . A A . 52 ARG HH22 1 1 6 2536 1 1 24 ARG N N -4.399 7.510 -2.232 1.00 . A A . 52 ARG N 1 1 6 2537 1 1 24 ARG NE N -3.539 13.109 -0.716 1.00 . A A . 52 ARG NE 1 1 6 2538 1 1 24 ARG NH1 N -1.403 13.853 -0.709 1.00 . A A . 52 ARG NH1 1 1 6 2539 1 1 24 ARG NH2 N -2.834 14.510 0.912 1.00 . A A . 52 ARG NH2 1 1 6 2540 1 1 24 ARG O O -4.761 9.656 -5.076 1.00 . A A . 52 ARG O 1 1 6 2541 1 1 25 THR C C -4.354 6.454 -6.787 1.00 . A A . 53 THR C 1 1 6 2542 1 1 25 THR CA C -3.475 7.573 -6.224 1.00 . A A . 53 THR CA 1 1 6 2543 1 1 25 THR CB C -1.998 7.220 -6.430 1.00 . A A . 53 THR CB 1 1 6 2544 1 1 25 THR CG2 C -1.825 5.701 -6.434 1.00 . A A . 53 THR CG2 1 1 6 2545 1 1 25 THR H H -3.457 7.033 -4.142 1.00 . A A . 53 THR H 1 1 6 2546 1 1 25 THR HA H -3.700 8.499 -6.733 1.00 . A A . 53 THR HA 1 1 6 2547 1 1 25 THR HB H -1.410 7.644 -5.628 1.00 . A A . 53 THR HB 1 1 6 2548 1 1 25 THR HG1 H -1.966 7.240 -8.375 1.00 . A A . 53 THR HG1 1 1 6 2549 1 1 25 THR HG21 H -2.024 5.317 -7.424 1.00 . A A . 53 THR HG21 1 1 6 2550 1 1 25 THR HG22 H -2.515 5.258 -5.732 1.00 . A A . 53 THR HG22 1 1 6 2551 1 1 25 THR HG23 H -0.813 5.452 -6.149 1.00 . A A . 53 THR HG23 1 1 6 2552 1 1 25 THR N N -3.750 7.727 -4.769 1.00 . A A . 53 THR N 1 1 6 2553 1 1 25 THR O O -4.311 6.147 -7.962 1.00 . A A . 53 THR O 1 1 6 2554 1 1 25 THR OG1 O -1.557 7.751 -7.673 1.00 . A A . 53 THR OG1 1 1 6 2555 1 1 26 HIS C C -6.631 5.121 -7.793 1.00 . A A . 54 HIS C 1 1 6 2556 1 1 26 HIS CA C -6.034 4.738 -6.437 1.00 . A A . 54 HIS CA 1 1 6 2557 1 1 26 HIS CB C -7.163 4.512 -5.427 1.00 . A A . 54 HIS CB 1 1 6 2558 1 1 26 HIS CD2 C -7.139 2.508 -3.723 1.00 . A A . 54 HIS CD2 1 1 6 2559 1 1 26 HIS CE1 C -7.187 0.878 -5.151 1.00 . A A . 54 HIS CE1 1 1 6 2560 1 1 26 HIS CG C -7.160 3.076 -4.974 1.00 . A A . 54 HIS CG 1 1 6 2561 1 1 26 HIS H H -5.169 6.102 -5.011 1.00 . A A . 54 HIS H 1 1 6 2562 1 1 26 HIS HA H -5.456 3.832 -6.541 1.00 . A A . 54 HIS HA 1 1 6 2563 1 1 26 HIS HB2 H -7.016 5.157 -4.574 1.00 . A A . 54 HIS HB2 1 1 6 2564 1 1 26 HIS HB3 H -8.111 4.739 -5.890 1.00 . A A . 54 HIS HB3 1 1 6 2565 1 1 26 HIS HD1 H -7.207 2.086 -6.845 1.00 . A A . 54 HIS HD1 1 1 6 2566 1 1 26 HIS HD2 H -7.113 3.055 -2.792 1.00 . A A . 54 HIS HD2 1 1 6 2567 1 1 26 HIS HE1 H -7.209 -0.112 -5.584 1.00 . A A . 54 HIS HE1 1 1 6 2568 1 1 26 HIS N N -5.151 5.839 -5.954 1.00 . A A . 54 HIS N 1 1 6 2569 1 1 26 HIS ND1 N -7.190 2.017 -5.869 1.00 . A A . 54 HIS ND1 1 1 6 2570 1 1 26 HIS NE2 N -7.156 1.121 -3.838 1.00 . A A . 54 HIS NE2 1 1 6 2571 1 1 26 HIS O O -7.152 4.290 -8.511 1.00 . A A . 54 HIS O 1 1 6 2572 1 1 27 GLY C C -6.384 8.056 -9.948 1.00 . A A . 55 GLY C 1 1 6 2573 1 1 27 GLY CA C -7.126 6.810 -9.459 1.00 . A A . 55 GLY CA 1 1 6 2574 1 1 27 GLY H H -6.138 7.030 -7.557 1.00 . A A . 55 GLY H 1 1 6 2575 1 1 27 GLY HA2 H -7.012 6.014 -10.182 1.00 . A A . 55 GLY HA2 1 1 6 2576 1 1 27 GLY HA3 H -8.172 7.044 -9.340 1.00 . A A . 55 GLY HA3 1 1 6 2577 1 1 27 GLY N N -6.561 6.375 -8.150 1.00 . A A . 55 GLY N 1 1 6 2578 1 1 27 GLY O O -5.167 8.068 -9.863 1.00 . A A . 55 GLY O 1 1 6 2579 1 1 27 GLY OXT O -7.045 8.976 -10.398 1.00 . A A . 55 GLY OXT 1 1 6 2580 2 2 1 ZN ZN ZN -5.612 -0.169 -3.415 1.00 . B A . 84 ZN ZN 1 1 7 2581 1 1 1 GLU C C 6.322 -8.702 7.787 1.00 . A A . 29 GLU C 1 1 7 2582 1 1 1 GLU CA C 7.128 -8.195 8.985 1.00 . A A . 29 GLU CA 1 1 7 2583 1 1 1 GLU CB C 8.573 -7.933 8.552 1.00 . A A . 29 GLU CB 1 1 7 2584 1 1 1 GLU CD C 9.000 -5.520 9.039 1.00 . A A . 29 GLU CD 1 1 7 2585 1 1 1 GLU CG C 9.226 -6.952 9.526 1.00 . A A . 29 GLU CG 1 1 7 2586 1 1 1 GLU H1 H 6.649 -10.083 9.717 1.00 . A A . 29 GLU H1 1 1 7 2587 1 1 1 GLU H2 H 6.588 -8.851 10.885 1.00 . A A . 29 GLU H2 1 1 7 2588 1 1 1 GLU H3 H 8.086 -9.443 10.348 1.00 . A A . 29 GLU H3 1 1 7 2589 1 1 1 GLU HA H 6.690 -7.278 9.351 1.00 . A A . 29 GLU HA 1 1 7 2590 1 1 1 GLU HB2 H 9.122 -8.863 8.552 1.00 . A A . 29 GLU HB2 1 1 7 2591 1 1 1 GLU HB3 H 8.580 -7.509 7.558 1.00 . A A . 29 GLU HB3 1 1 7 2592 1 1 1 GLU HG2 H 8.789 -7.073 10.507 1.00 . A A . 29 GLU HG2 1 1 7 2593 1 1 1 GLU HG3 H 10.287 -7.149 9.578 1.00 . A A . 29 GLU HG3 1 1 7 2594 1 1 1 GLU N N 7.111 -9.220 10.065 1.00 . A A . 29 GLU N 1 1 7 2595 1 1 1 GLU O O 6.830 -8.826 6.691 1.00 . A A . 29 GLU O 1 1 7 2596 1 1 1 GLU OE1 O 7.942 -5.264 8.486 1.00 . A A . 29 GLU OE1 1 1 7 2597 1 1 1 GLU OE2 O 9.887 -4.704 9.225 1.00 . A A . 29 GLU OE2 1 1 7 2598 1 1 2 LYS C C 4.015 -8.374 5.847 1.00 . A A . 30 LYS C 1 1 7 2599 1 1 2 LYS CA C 4.228 -9.497 6.864 1.00 . A A . 30 LYS CA 1 1 7 2600 1 1 2 LYS CB C 2.872 -9.958 7.405 1.00 . A A . 30 LYS CB 1 1 7 2601 1 1 2 LYS CD C 3.975 -11.669 8.857 1.00 . A A . 30 LYS CD 1 1 7 2602 1 1 2 LYS CE C 3.390 -12.595 9.925 1.00 . A A . 30 LYS CE 1 1 7 2603 1 1 2 LYS CG C 2.941 -11.446 7.751 1.00 . A A . 30 LYS CG 1 1 7 2604 1 1 2 LYS H H 4.675 -8.890 8.881 1.00 . A A . 30 LYS H 1 1 7 2605 1 1 2 LYS HA H 4.726 -10.327 6.386 1.00 . A A . 30 LYS HA 1 1 7 2606 1 1 2 LYS HB2 H 2.628 -9.392 8.292 1.00 . A A . 30 LYS HB2 1 1 7 2607 1 1 2 LYS HB3 H 2.113 -9.798 6.655 1.00 . A A . 30 LYS HB3 1 1 7 2608 1 1 2 LYS HD2 H 4.862 -12.119 8.435 1.00 . A A . 30 LYS HD2 1 1 7 2609 1 1 2 LYS HD3 H 4.230 -10.721 9.306 1.00 . A A . 30 LYS HD3 1 1 7 2610 1 1 2 LYS HE2 H 2.408 -12.245 10.207 1.00 . A A . 30 LYS HE2 1 1 7 2611 1 1 2 LYS HE3 H 3.315 -13.598 9.529 1.00 . A A . 30 LYS HE3 1 1 7 2612 1 1 2 LYS HG2 H 1.971 -11.781 8.090 1.00 . A A . 30 LYS HG2 1 1 7 2613 1 1 2 LYS HG3 H 3.229 -12.007 6.874 1.00 . A A . 30 LYS HG3 1 1 7 2614 1 1 2 LYS HZ1 H 5.127 -12.028 10.924 1.00 . A A . 30 LYS HZ1 1 1 7 2615 1 1 2 LYS HZ2 H 4.564 -13.574 11.338 1.00 . A A . 30 LYS HZ2 1 1 7 2616 1 1 2 LYS HZ3 H 3.769 -12.194 11.932 1.00 . A A . 30 LYS HZ3 1 1 7 2617 1 1 2 LYS N N 5.066 -8.997 7.990 1.00 . A A . 30 LYS N 1 1 7 2618 1 1 2 LYS NZ N 4.279 -12.598 11.120 1.00 . A A . 30 LYS NZ 1 1 7 2619 1 1 2 LYS O O 3.983 -7.209 6.193 1.00 . A A . 30 LYS O 1 1 7 2620 1 1 3 PRO C C 2.251 -7.131 3.534 1.00 . A A . 31 PRO C 1 1 7 2621 1 1 3 PRO CA C 3.657 -7.740 3.499 1.00 . A A . 31 PRO CA 1 1 7 2622 1 1 3 PRO CB C 3.854 -8.564 2.226 1.00 . A A . 31 PRO CB 1 1 7 2623 1 1 3 PRO CD C 3.898 -10.109 4.098 1.00 . A A . 31 PRO CD 1 1 7 2624 1 1 3 PRO CG C 3.557 -9.975 2.613 1.00 . A A . 31 PRO CG 1 1 7 2625 1 1 3 PRO HA H 4.402 -6.963 3.545 1.00 . A A . 31 PRO HA 1 1 7 2626 1 1 3 PRO HB2 H 3.169 -8.232 1.457 1.00 . A A . 31 PRO HB2 1 1 7 2627 1 1 3 PRO HB3 H 4.873 -8.483 1.881 1.00 . A A . 31 PRO HB3 1 1 7 2628 1 1 3 PRO HD2 H 3.157 -10.712 4.603 1.00 . A A . 31 PRO HD2 1 1 7 2629 1 1 3 PRO HD3 H 4.884 -10.532 4.223 1.00 . A A . 31 PRO HD3 1 1 7 2630 1 1 3 PRO HG2 H 2.509 -10.189 2.450 1.00 . A A . 31 PRO HG2 1 1 7 2631 1 1 3 PRO HG3 H 4.167 -10.653 2.038 1.00 . A A . 31 PRO HG3 1 1 7 2632 1 1 3 PRO N N 3.871 -8.726 4.598 1.00 . A A . 31 PRO N 1 1 7 2633 1 1 3 PRO O O 1.280 -7.803 3.820 1.00 . A A . 31 PRO O 1 1 7 2634 1 1 4 PHE C C 0.331 -4.960 1.823 1.00 . A A . 32 PHE C 1 1 7 2635 1 1 4 PHE CA C 0.796 -5.211 3.260 1.00 . A A . 32 PHE CA 1 1 7 2636 1 1 4 PHE CB C 0.890 -3.876 4.003 1.00 . A A . 32 PHE CB 1 1 7 2637 1 1 4 PHE CD1 C -1.114 -4.316 5.470 1.00 . A A . 32 PHE CD1 1 1 7 2638 1 1 4 PHE CD2 C 1.014 -3.818 6.522 1.00 . A A . 32 PHE CD2 1 1 7 2639 1 1 4 PHE CE1 C -1.709 -4.437 6.732 1.00 . A A . 32 PHE CE1 1 1 7 2640 1 1 4 PHE CE2 C 0.419 -3.938 7.784 1.00 . A A . 32 PHE CE2 1 1 7 2641 1 1 4 PHE CG C 0.248 -4.007 5.365 1.00 . A A . 32 PHE CG 1 1 7 2642 1 1 4 PHE CZ C -0.942 -4.247 7.889 1.00 . A A . 32 PHE CZ 1 1 7 2643 1 1 4 PHE H H 2.934 -5.341 3.016 1.00 . A A . 32 PHE H 1 1 7 2644 1 1 4 PHE HA H 0.088 -5.854 3.762 1.00 . A A . 32 PHE HA 1 1 7 2645 1 1 4 PHE HB2 H 1.928 -3.602 4.120 1.00 . A A . 32 PHE HB2 1 1 7 2646 1 1 4 PHE HB3 H 0.378 -3.113 3.437 1.00 . A A . 32 PHE HB3 1 1 7 2647 1 1 4 PHE HD1 H -1.704 -4.461 4.579 1.00 . A A . 32 PHE HD1 1 1 7 2648 1 1 4 PHE HD2 H 2.065 -3.580 6.440 1.00 . A A . 32 PHE HD2 1 1 7 2649 1 1 4 PHE HE1 H -2.759 -4.674 6.814 1.00 . A A . 32 PHE HE1 1 1 7 2650 1 1 4 PHE HE2 H 1.011 -3.792 8.676 1.00 . A A . 32 PHE HE2 1 1 7 2651 1 1 4 PHE HZ H -1.401 -4.340 8.862 1.00 . A A . 32 PHE HZ 1 1 7 2652 1 1 4 PHE N N 2.137 -5.864 3.244 1.00 . A A . 32 PHE N 1 1 7 2653 1 1 4 PHE O O 0.759 -4.024 1.177 1.00 . A A . 32 PHE O 1 1 7 2654 1 1 5 SER C C -2.343 -4.792 -0.045 1.00 . A A . 33 SER C 1 1 7 2655 1 1 5 SER CA C -1.037 -5.589 -0.076 1.00 . A A . 33 SER CA 1 1 7 2656 1 1 5 SER CB C -1.286 -6.951 -0.725 1.00 . A A . 33 SER CB 1 1 7 2657 1 1 5 SER H H -0.880 -6.534 1.856 1.00 . A A . 33 SER H 1 1 7 2658 1 1 5 SER HA H -0.298 -5.047 -0.646 1.00 . A A . 33 SER HA 1 1 7 2659 1 1 5 SER HB2 H -2.344 -7.105 -0.852 1.00 . A A . 33 SER HB2 1 1 7 2660 1 1 5 SER HB3 H -0.802 -6.981 -1.693 1.00 . A A . 33 SER HB3 1 1 7 2661 1 1 5 SER HG H -1.469 -8.278 0.687 1.00 . A A . 33 SER HG 1 1 7 2662 1 1 5 SER N N -0.545 -5.786 1.317 1.00 . A A . 33 SER N 1 1 7 2663 1 1 5 SER O O -3.085 -4.837 0.916 1.00 . A A . 33 SER O 1 1 7 2664 1 1 5 SER OG O -0.762 -7.973 0.113 1.00 . A A . 33 SER OG 1 1 7 2665 1 1 6 CYS C C -5.074 -4.177 -1.416 1.00 . A A . 34 CYS C 1 1 7 2666 1 1 6 CYS CA C -3.888 -3.259 -1.110 1.00 . A A . 34 CYS CA 1 1 7 2667 1 1 6 CYS CB C -3.789 -2.182 -2.191 1.00 . A A . 34 CYS CB 1 1 7 2668 1 1 6 CYS H H -2.017 -4.035 -1.852 1.00 . A A . 34 CYS H 1 1 7 2669 1 1 6 CYS HA H -4.034 -2.791 -0.148 1.00 . A A . 34 CYS HA 1 1 7 2670 1 1 6 CYS HB2 H -2.877 -1.619 -2.057 1.00 . A A . 34 CYS HB2 1 1 7 2671 1 1 6 CYS HB3 H -3.784 -2.646 -3.165 1.00 . A A . 34 CYS HB3 1 1 7 2672 1 1 6 CYS N N -2.630 -4.060 -1.087 1.00 . A A . 34 CYS N 1 1 7 2673 1 1 6 CYS O O -4.929 -5.377 -1.532 1.00 . A A . 34 CYS O 1 1 7 2674 1 1 6 CYS SG S -5.211 -1.067 -2.062 1.00 . A A . 34 CYS SG 1 1 7 2675 1 1 7 SER C C -7.638 -4.541 -3.360 1.00 . A A . 35 SER C 1 1 7 2676 1 1 7 SER CA C -7.442 -4.458 -1.846 1.00 . A A . 35 SER CA 1 1 7 2677 1 1 7 SER CB C -8.679 -3.830 -1.205 1.00 . A A . 35 SER CB 1 1 7 2678 1 1 7 SER H H -6.342 -2.649 -1.451 1.00 . A A . 35 SER H 1 1 7 2679 1 1 7 SER HA H -7.294 -5.451 -1.447 1.00 . A A . 35 SER HA 1 1 7 2680 1 1 7 SER HB2 H -8.550 -3.783 -0.136 1.00 . A A . 35 SER HB2 1 1 7 2681 1 1 7 SER HB3 H -8.816 -2.829 -1.593 1.00 . A A . 35 SER HB3 1 1 7 2682 1 1 7 SER HG H -10.584 -4.049 -1.536 1.00 . A A . 35 SER HG 1 1 7 2683 1 1 7 SER N N -6.247 -3.619 -1.547 1.00 . A A . 35 SER N 1 1 7 2684 1 1 7 SER O O -7.398 -5.563 -3.972 1.00 . A A . 35 SER O 1 1 7 2685 1 1 7 SER OG O -9.818 -4.627 -1.503 1.00 . A A . 35 SER OG 1 1 7 2686 1 1 8 LEU C C -7.124 -2.765 -6.132 1.00 . A A . 36 LEU C 1 1 7 2687 1 1 8 LEU CA C -8.282 -3.492 -5.447 1.00 . A A . 36 LEU CA 1 1 7 2688 1 1 8 LEU CB C -9.598 -2.794 -5.788 1.00 . A A . 36 LEU CB 1 1 7 2689 1 1 8 LEU CD1 C -11.399 -2.758 -7.520 1.00 . A A . 36 LEU CD1 1 1 7 2690 1 1 8 LEU CD2 C -9.092 -2.000 -8.106 1.00 . A A . 36 LEU CD2 1 1 7 2691 1 1 8 LEU CG C -9.908 -2.993 -7.273 1.00 . A A . 36 LEU CG 1 1 7 2692 1 1 8 LEU H H -8.259 -2.658 -3.462 1.00 . A A . 36 LEU H 1 1 7 2693 1 1 8 LEU HA H -8.317 -4.516 -5.791 1.00 . A A . 36 LEU HA 1 1 7 2694 1 1 8 LEU HB2 H -10.395 -3.217 -5.193 1.00 . A A . 36 LEU HB2 1 1 7 2695 1 1 8 LEU HB3 H -9.512 -1.739 -5.577 1.00 . A A . 36 LEU HB3 1 1 7 2696 1 1 8 LEU HD11 H -11.896 -3.708 -7.651 1.00 . A A . 36 LEU HD11 1 1 7 2697 1 1 8 LEU HD12 H -11.527 -2.159 -8.409 1.00 . A A . 36 LEU HD12 1 1 7 2698 1 1 8 LEU HD13 H -11.828 -2.243 -6.673 1.00 . A A . 36 LEU HD13 1 1 7 2699 1 1 8 LEU HD21 H -8.955 -1.086 -7.547 1.00 . A A . 36 LEU HD21 1 1 7 2700 1 1 8 LEU HD22 H -9.616 -1.785 -9.025 1.00 . A A . 36 LEU HD22 1 1 7 2701 1 1 8 LEU HD23 H -8.127 -2.430 -8.334 1.00 . A A . 36 LEU HD23 1 1 7 2702 1 1 8 LEU HG H -9.652 -4.003 -7.561 1.00 . A A . 36 LEU HG 1 1 7 2703 1 1 8 LEU N N -8.073 -3.473 -3.972 1.00 . A A . 36 LEU N 1 1 7 2704 1 1 8 LEU O O -7.160 -1.566 -6.324 1.00 . A A . 36 LEU O 1 1 7 2705 1 1 9 CYS C C -3.674 -3.673 -6.869 1.00 . A A . 37 CYS C 1 1 7 2706 1 1 9 CYS CA C -4.931 -2.855 -7.174 1.00 . A A . 37 CYS CA 1 1 7 2707 1 1 9 CYS CB C -4.736 -1.426 -6.658 1.00 . A A . 37 CYS CB 1 1 7 2708 1 1 9 CYS H H -6.104 -4.451 -6.332 1.00 . A A . 37 CYS H 1 1 7 2709 1 1 9 CYS HA H -5.097 -2.833 -8.241 1.00 . A A . 37 CYS HA 1 1 7 2710 1 1 9 CYS HB2 H -3.712 -1.124 -6.818 1.00 . A A . 37 CYS HB2 1 1 7 2711 1 1 9 CYS HB3 H -5.395 -0.757 -7.190 1.00 . A A . 37 CYS HB3 1 1 7 2712 1 1 9 CYS N N -6.102 -3.486 -6.501 1.00 . A A . 37 CYS N 1 1 7 2713 1 1 9 CYS O O -3.009 -3.454 -5.875 1.00 . A A . 37 CYS O 1 1 7 2714 1 1 9 CYS SG S -5.111 -1.364 -4.888 1.00 . A A . 37 CYS SG 1 1 7 2715 1 1 10 PRO C C -0.906 -4.684 -7.176 1.00 . A A . 38 PRO C 1 1 7 2716 1 1 10 PRO CA C -2.160 -5.484 -7.541 1.00 . A A . 38 PRO CA 1 1 7 2717 1 1 10 PRO CB C -1.994 -6.151 -8.906 1.00 . A A . 38 PRO CB 1 1 7 2718 1 1 10 PRO CD C -4.100 -4.945 -8.942 1.00 . A A . 38 PRO CD 1 1 7 2719 1 1 10 PRO CG C -3.359 -6.156 -9.511 1.00 . A A . 38 PRO CG 1 1 7 2720 1 1 10 PRO HA H -2.354 -6.237 -6.794 1.00 . A A . 38 PRO HA 1 1 7 2721 1 1 10 PRO HB2 H -1.310 -5.581 -9.520 1.00 . A A . 38 PRO HB2 1 1 7 2722 1 1 10 PRO HB3 H -1.639 -7.163 -8.788 1.00 . A A . 38 PRO HB3 1 1 7 2723 1 1 10 PRO HD2 H -4.070 -4.122 -9.643 1.00 . A A . 38 PRO HD2 1 1 7 2724 1 1 10 PRO HD3 H -5.119 -5.202 -8.700 1.00 . A A . 38 PRO HD3 1 1 7 2725 1 1 10 PRO HG2 H -3.285 -6.078 -10.588 1.00 . A A . 38 PRO HG2 1 1 7 2726 1 1 10 PRO HG3 H -3.881 -7.060 -9.240 1.00 . A A . 38 PRO HG3 1 1 7 2727 1 1 10 PRO N N -3.355 -4.612 -7.717 1.00 . A A . 38 PRO N 1 1 7 2728 1 1 10 PRO O O -0.066 -4.412 -8.011 1.00 . A A . 38 PRO O 1 1 7 2729 1 1 11 GLN C C 0.730 -3.807 -4.044 1.00 . A A . 39 GLN C 1 1 7 2730 1 1 11 GLN CA C 0.427 -3.525 -5.516 1.00 . A A . 39 GLN CA 1 1 7 2731 1 1 11 GLN CB C 0.157 -2.030 -5.708 1.00 . A A . 39 GLN CB 1 1 7 2732 1 1 11 GLN CD C -0.974 -0.028 -4.729 1.00 . A A . 39 GLN CD 1 1 7 2733 1 1 11 GLN CG C -0.523 -1.465 -4.459 1.00 . A A . 39 GLN CG 1 1 7 2734 1 1 11 GLN H H -1.461 -4.535 -5.275 1.00 . A A . 39 GLN H 1 1 7 2735 1 1 11 GLN HA H 1.272 -3.817 -6.120 1.00 . A A . 39 GLN HA 1 1 7 2736 1 1 11 GLN HB2 H 1.092 -1.515 -5.873 1.00 . A A . 39 GLN HB2 1 1 7 2737 1 1 11 GLN HB3 H -0.488 -1.887 -6.561 1.00 . A A . 39 GLN HB3 1 1 7 2738 1 1 11 GLN HE21 H 0.759 0.768 -4.174 1.00 . A A . 39 GLN HE21 1 1 7 2739 1 1 11 GLN HE22 H -0.422 1.879 -4.680 1.00 . A A . 39 GLN HE22 1 1 7 2740 1 1 11 GLN HG2 H -1.383 -2.072 -4.211 1.00 . A A . 39 GLN HG2 1 1 7 2741 1 1 11 GLN HG3 H 0.173 -1.473 -3.634 1.00 . A A . 39 GLN HG3 1 1 7 2742 1 1 11 GLN N N -0.773 -4.305 -5.934 1.00 . A A . 39 GLN N 1 1 7 2743 1 1 11 GLN NE2 N -0.143 0.955 -4.509 1.00 . A A . 39 GLN NE2 1 1 7 2744 1 1 11 GLN O O -0.163 -3.942 -3.229 1.00 . A A . 39 GLN O 1 1 7 2745 1 1 11 GLN OE1 O -2.092 0.202 -5.144 1.00 . A A . 39 GLN OE1 1 1 7 2746 1 1 12 ARG C C 3.299 -3.101 -1.766 1.00 . A A . 40 ARG C 1 1 7 2747 1 1 12 ARG CA C 2.342 -4.182 -2.276 1.00 . A A . 40 ARG CA 1 1 7 2748 1 1 12 ARG CB C 3.024 -5.548 -2.184 1.00 . A A . 40 ARG CB 1 1 7 2749 1 1 12 ARG CD C 2.803 -7.794 -3.262 1.00 . A A . 40 ARG CD 1 1 7 2750 1 1 12 ARG CG C 2.039 -6.638 -2.612 1.00 . A A . 40 ARG CG 1 1 7 2751 1 1 12 ARG CZ C 5.217 -7.547 -3.306 1.00 . A A . 40 ARG CZ 1 1 7 2752 1 1 12 ARG H H 2.690 -3.794 -4.367 1.00 . A A . 40 ARG H 1 1 7 2753 1 1 12 ARG HA H 1.448 -4.185 -1.673 1.00 . A A . 40 ARG HA 1 1 7 2754 1 1 12 ARG HB2 H 3.886 -5.565 -2.837 1.00 . A A . 40 ARG HB2 1 1 7 2755 1 1 12 ARG HB3 H 3.338 -5.727 -1.168 1.00 . A A . 40 ARG HB3 1 1 7 2756 1 1 12 ARG HD2 H 2.257 -8.714 -3.111 1.00 . A A . 40 ARG HD2 1 1 7 2757 1 1 12 ARG HD3 H 2.906 -7.607 -4.319 1.00 . A A . 40 ARG HD3 1 1 7 2758 1 1 12 ARG HE H 4.244 -8.264 -1.731 1.00 . A A . 40 ARG HE 1 1 7 2759 1 1 12 ARG HG2 H 1.506 -7.000 -1.744 1.00 . A A . 40 ARG HG2 1 1 7 2760 1 1 12 ARG HG3 H 1.336 -6.230 -3.322 1.00 . A A . 40 ARG HG3 1 1 7 2761 1 1 12 ARG HH11 H 4.201 -6.981 -4.937 1.00 . A A . 40 ARG HH11 1 1 7 2762 1 1 12 ARG HH12 H 5.920 -6.792 -5.022 1.00 . A A . 40 ARG HH12 1 1 7 2763 1 1 12 ARG HH21 H 6.485 -8.019 -1.830 1.00 . A A . 40 ARG HH21 1 1 7 2764 1 1 12 ARG HH22 H 7.211 -7.378 -3.266 1.00 . A A . 40 ARG HH22 1 1 7 2765 1 1 12 ARG N N 1.984 -3.903 -3.695 1.00 . A A . 40 ARG N 1 1 7 2766 1 1 12 ARG NE N 4.153 -7.911 -2.640 1.00 . A A . 40 ARG NE 1 1 7 2767 1 1 12 ARG NH1 N 5.104 -7.069 -4.516 1.00 . A A . 40 ARG NH1 1 1 7 2768 1 1 12 ARG NH2 N 6.396 -7.657 -2.758 1.00 . A A . 40 ARG NH2 1 1 7 2769 1 1 12 ARG O O 4.275 -2.767 -2.408 1.00 . A A . 40 ARG O 1 1 7 2770 1 1 13 SER C C 4.652 -2.051 1.167 1.00 . A A . 41 SER C 1 1 7 2771 1 1 13 SER CA C 3.918 -1.499 -0.057 1.00 . A A . 41 SER CA 1 1 7 2772 1 1 13 SER CB C 3.079 -0.289 0.355 1.00 . A A . 41 SER CB 1 1 7 2773 1 1 13 SER H H 2.233 -2.841 -0.110 1.00 . A A . 41 SER H 1 1 7 2774 1 1 13 SER HA H 4.636 -1.203 -0.805 1.00 . A A . 41 SER HA 1 1 7 2775 1 1 13 SER HB2 H 2.913 -0.307 1.419 1.00 . A A . 41 SER HB2 1 1 7 2776 1 1 13 SER HB3 H 3.606 0.620 0.090 1.00 . A A . 41 SER HB3 1 1 7 2777 1 1 13 SER HG H 1.979 -0.162 -1.246 1.00 . A A . 41 SER HG 1 1 7 2778 1 1 13 SER N N 3.026 -2.555 -0.612 1.00 . A A . 41 SER N 1 1 7 2779 1 1 13 SER O O 4.149 -2.903 1.873 1.00 . A A . 41 SER O 1 1 7 2780 1 1 13 SER OG O 1.826 -0.337 -0.315 1.00 . A A . 41 SER OG 1 1 7 2781 1 1 14 ARG C C 6.261 -1.229 3.831 1.00 . A A . 42 ARG C 1 1 7 2782 1 1 14 ARG CA C 6.602 -2.075 2.603 1.00 . A A . 42 ARG CA 1 1 7 2783 1 1 14 ARG CB C 8.102 -1.979 2.317 1.00 . A A . 42 ARG CB 1 1 7 2784 1 1 14 ARG CD C 9.655 -1.367 4.176 1.00 . A A . 42 ARG CD 1 1 7 2785 1 1 14 ARG CG C 8.887 -2.513 3.518 1.00 . A A . 42 ARG CG 1 1 7 2786 1 1 14 ARG CZ C 11.541 0.016 3.546 1.00 . A A . 42 ARG CZ 1 1 7 2787 1 1 14 ARG H H 6.229 -0.888 0.844 1.00 . A A . 42 ARG H 1 1 7 2788 1 1 14 ARG HA H 6.337 -3.105 2.791 1.00 . A A . 42 ARG HA 1 1 7 2789 1 1 14 ARG HB2 H 8.340 -2.565 1.440 1.00 . A A . 42 ARG HB2 1 1 7 2790 1 1 14 ARG HB3 H 8.370 -0.948 2.144 1.00 . A A . 42 ARG HB3 1 1 7 2791 1 1 14 ARG HD2 H 8.956 -0.649 4.578 1.00 . A A . 42 ARG HD2 1 1 7 2792 1 1 14 ARG HD3 H 10.269 -1.758 4.975 1.00 . A A . 42 ARG HD3 1 1 7 2793 1 1 14 ARG HE H 10.326 -0.807 2.208 1.00 . A A . 42 ARG HE 1 1 7 2794 1 1 14 ARG HG2 H 8.201 -2.946 4.232 1.00 . A A . 42 ARG HG2 1 1 7 2795 1 1 14 ARG HG3 H 9.584 -3.267 3.185 1.00 . A A . 42 ARG HG3 1 1 7 2796 1 1 14 ARG HH11 H 11.220 -0.291 5.497 1.00 . A A . 42 ARG HH11 1 1 7 2797 1 1 14 ARG HH12 H 12.582 0.705 5.111 1.00 . A A . 42 ARG HH12 1 1 7 2798 1 1 14 ARG HH21 H 12.100 0.492 1.683 1.00 . A A . 42 ARG HH21 1 1 7 2799 1 1 14 ARG HH22 H 13.080 1.150 2.952 1.00 . A A . 42 ARG HH22 1 1 7 2800 1 1 14 ARG N N 5.839 -1.574 1.425 1.00 . A A . 42 ARG N 1 1 7 2801 1 1 14 ARG NE N 10.521 -0.703 3.163 1.00 . A A . 42 ARG NE 1 1 7 2802 1 1 14 ARG NH1 N 11.801 0.154 4.817 1.00 . A A . 42 ARG NH1 1 1 7 2803 1 1 14 ARG NH2 N 12.300 0.598 2.658 1.00 . A A . 42 ARG NH2 1 1 7 2804 1 1 14 ARG O O 6.472 -1.639 4.956 1.00 . A A . 42 ARG O 1 1 7 2805 1 1 15 ASP C C 4.064 1.540 4.493 1.00 . A A . 43 ASP C 1 1 7 2806 1 1 15 ASP CA C 5.380 0.816 4.784 1.00 . A A . 43 ASP CA 1 1 7 2807 1 1 15 ASP CB C 6.491 1.846 5.007 1.00 . A A . 43 ASP CB 1 1 7 2808 1 1 15 ASP CG C 6.809 1.939 6.499 1.00 . A A . 43 ASP CG 1 1 7 2809 1 1 15 ASP H H 5.572 0.259 2.712 1.00 . A A . 43 ASP H 1 1 7 2810 1 1 15 ASP HA H 5.269 0.209 5.671 1.00 . A A . 43 ASP HA 1 1 7 2811 1 1 15 ASP HB2 H 7.375 1.542 4.466 1.00 . A A . 43 ASP HB2 1 1 7 2812 1 1 15 ASP HB3 H 6.163 2.810 4.650 1.00 . A A . 43 ASP HB3 1 1 7 2813 1 1 15 ASP N N 5.734 -0.053 3.627 1.00 . A A . 43 ASP N 1 1 7 2814 1 1 15 ASP O O 3.785 1.912 3.371 1.00 . A A . 43 ASP O 1 1 7 2815 1 1 15 ASP OD1 O 5.978 2.449 7.232 1.00 . A A . 43 ASP OD1 1 1 7 2816 1 1 15 ASP OD2 O 7.879 1.498 6.885 1.00 . A A . 43 ASP OD2 1 1 7 2817 1 1 16 PHE C C 2.217 3.825 4.674 1.00 . A A . 44 PHE C 1 1 7 2818 1 1 16 PHE CA C 1.957 2.441 5.272 1.00 . A A . 44 PHE CA 1 1 7 2819 1 1 16 PHE CB C 1.221 2.592 6.604 1.00 . A A . 44 PHE CB 1 1 7 2820 1 1 16 PHE CD1 C -0.976 1.741 5.708 1.00 . A A . 44 PHE CD1 1 1 7 2821 1 1 16 PHE CD2 C -0.907 3.936 6.736 1.00 . A A . 44 PHE CD2 1 1 7 2822 1 1 16 PHE CE1 C -2.346 1.898 5.464 1.00 . A A . 44 PHE CE1 1 1 7 2823 1 1 16 PHE CE2 C -2.277 4.094 6.493 1.00 . A A . 44 PHE CE2 1 1 7 2824 1 1 16 PHE CG C -0.256 2.761 6.343 1.00 . A A . 44 PHE CG 1 1 7 2825 1 1 16 PHE CZ C -2.996 3.075 5.858 1.00 . A A . 44 PHE CZ 1 1 7 2826 1 1 16 PHE H H 3.497 1.434 6.393 1.00 . A A . 44 PHE H 1 1 7 2827 1 1 16 PHE HA H 1.351 1.863 4.589 1.00 . A A . 44 PHE HA 1 1 7 2828 1 1 16 PHE HB2 H 1.382 1.710 7.206 1.00 . A A . 44 PHE HB2 1 1 7 2829 1 1 16 PHE HB3 H 1.595 3.459 7.127 1.00 . A A . 44 PHE HB3 1 1 7 2830 1 1 16 PHE HD1 H -0.474 0.835 5.404 1.00 . A A . 44 PHE HD1 1 1 7 2831 1 1 16 PHE HD2 H -0.352 4.723 7.226 1.00 . A A . 44 PHE HD2 1 1 7 2832 1 1 16 PHE HE1 H -2.901 1.112 4.975 1.00 . A A . 44 PHE HE1 1 1 7 2833 1 1 16 PHE HE2 H -2.779 5.001 6.795 1.00 . A A . 44 PHE HE2 1 1 7 2834 1 1 16 PHE HZ H -4.053 3.195 5.670 1.00 . A A . 44 PHE HZ 1 1 7 2835 1 1 16 PHE N N 3.254 1.742 5.495 1.00 . A A . 44 PHE N 1 1 7 2836 1 1 16 PHE O O 1.460 4.309 3.857 1.00 . A A . 44 PHE O 1 1 7 2837 1 1 17 SER C C 3.490 5.768 2.994 1.00 . A A . 45 SER C 1 1 7 2838 1 1 17 SER CA C 3.585 5.817 4.519 1.00 . A A . 45 SER CA 1 1 7 2839 1 1 17 SER CB C 4.996 6.236 4.931 1.00 . A A . 45 SER CB 1 1 7 2840 1 1 17 SER H H 3.884 4.060 5.731 1.00 . A A . 45 SER H 1 1 7 2841 1 1 17 SER HA H 2.870 6.531 4.901 1.00 . A A . 45 SER HA 1 1 7 2842 1 1 17 SER HB2 H 5.041 7.308 5.033 1.00 . A A . 45 SER HB2 1 1 7 2843 1 1 17 SER HB3 H 5.244 5.777 5.880 1.00 . A A . 45 SER HB3 1 1 7 2844 1 1 17 SER HG H 5.653 4.953 3.625 1.00 . A A . 45 SER HG 1 1 7 2845 1 1 17 SER N N 3.284 4.466 5.072 1.00 . A A . 45 SER N 1 1 7 2846 1 1 17 SER O O 2.992 6.679 2.362 1.00 . A A . 45 SER O 1 1 7 2847 1 1 17 SER OG O 5.919 5.822 3.933 1.00 . A A . 45 SER OG 1 1 7 2848 1 1 18 ALA C C 2.524 4.024 0.520 1.00 . A A . 46 ALA C 1 1 7 2849 1 1 18 ALA CA C 3.888 4.593 0.915 1.00 . A A . 46 ALA CA 1 1 7 2850 1 1 18 ALA CB C 4.994 3.659 0.420 1.00 . A A . 46 ALA CB 1 1 7 2851 1 1 18 ALA H H 4.350 3.980 2.926 1.00 . A A . 46 ALA H 1 1 7 2852 1 1 18 ALA HA H 4.013 5.570 0.469 1.00 . A A . 46 ALA HA 1 1 7 2853 1 1 18 ALA HB1 H 5.476 4.096 -0.442 1.00 . A A . 46 ALA HB1 1 1 7 2854 1 1 18 ALA HB2 H 4.567 2.706 0.149 1.00 . A A . 46 ALA HB2 1 1 7 2855 1 1 18 ALA HB3 H 5.722 3.517 1.206 1.00 . A A . 46 ALA HB3 1 1 7 2856 1 1 18 ALA N N 3.957 4.706 2.398 1.00 . A A . 46 ALA N 1 1 7 2857 1 1 18 ALA O O 2.017 4.286 -0.552 1.00 . A A . 46 ALA O 1 1 7 2858 1 1 19 MET C C -0.454 3.785 1.068 1.00 . A A . 47 MET C 1 1 7 2859 1 1 19 MET CA C 0.592 2.671 1.063 1.00 . A A . 47 MET CA 1 1 7 2860 1 1 19 MET CB C 0.223 1.618 2.111 1.00 . A A . 47 MET CB 1 1 7 2861 1 1 19 MET CE C -2.860 -1.103 1.907 1.00 . A A . 47 MET CE 1 1 7 2862 1 1 19 MET CG C -0.855 0.691 1.546 1.00 . A A . 47 MET CG 1 1 7 2863 1 1 19 MET H H 2.349 3.055 2.246 1.00 . A A . 47 MET H 1 1 7 2864 1 1 19 MET HA H 0.625 2.211 0.086 1.00 . A A . 47 MET HA 1 1 7 2865 1 1 19 MET HB2 H 1.101 1.040 2.365 1.00 . A A . 47 MET HB2 1 1 7 2866 1 1 19 MET HB3 H -0.154 2.109 2.996 1.00 . A A . 47 MET HB3 1 1 7 2867 1 1 19 MET HE1 H -2.392 -1.691 1.128 1.00 . A A . 47 MET HE1 1 1 7 2868 1 1 19 MET HE2 H -3.507 -0.359 1.464 1.00 . A A . 47 MET HE2 1 1 7 2869 1 1 19 MET HE3 H -3.443 -1.751 2.542 1.00 . A A . 47 MET HE3 1 1 7 2870 1 1 19 MET HG2 H -1.624 1.282 1.072 1.00 . A A . 47 MET HG2 1 1 7 2871 1 1 19 MET HG3 H -0.412 0.026 0.820 1.00 . A A . 47 MET HG3 1 1 7 2872 1 1 19 MET N N 1.924 3.251 1.384 1.00 . A A . 47 MET N 1 1 7 2873 1 1 19 MET O O -1.454 3.716 0.381 1.00 . A A . 47 MET O 1 1 7 2874 1 1 19 MET SD S -1.582 -0.280 2.889 1.00 . A A . 47 MET SD 1 1 7 2875 1 1 20 THR C C -1.216 6.650 0.526 1.00 . A A . 48 THR C 1 1 7 2876 1 1 20 THR CA C -1.209 5.938 1.878 1.00 . A A . 48 THR CA 1 1 7 2877 1 1 20 THR CB C -0.812 6.931 2.970 1.00 . A A . 48 THR CB 1 1 7 2878 1 1 20 THR CG2 C -1.046 6.304 4.345 1.00 . A A . 48 THR CG2 1 1 7 2879 1 1 20 THR H H 0.585 4.857 2.379 1.00 . A A . 48 THR H 1 1 7 2880 1 1 20 THR HA H -2.194 5.548 2.086 1.00 . A A . 48 THR HA 1 1 7 2881 1 1 20 THR HB H -1.413 7.821 2.878 1.00 . A A . 48 THR HB 1 1 7 2882 1 1 20 THR HG1 H 0.705 8.117 3.250 1.00 . A A . 48 THR HG1 1 1 7 2883 1 1 20 THR HG21 H -1.710 5.458 4.247 1.00 . A A . 48 THR HG21 1 1 7 2884 1 1 20 THR HG22 H -1.490 7.036 5.004 1.00 . A A . 48 THR HG22 1 1 7 2885 1 1 20 THR HG23 H -0.103 5.974 4.757 1.00 . A A . 48 THR HG23 1 1 7 2886 1 1 20 THR N N -0.230 4.818 1.835 1.00 . A A . 48 THR N 1 1 7 2887 1 1 20 THR O O -2.251 6.844 -0.079 1.00 . A A . 48 THR O 1 1 7 2888 1 1 20 THR OG1 O 0.561 7.267 2.827 1.00 . A A . 48 THR OG1 1 1 7 2889 1 1 21 LYS C C -0.738 6.852 -2.300 1.00 . A A . 49 LYS C 1 1 7 2890 1 1 21 LYS CA C -0.012 7.718 -1.278 1.00 . A A . 49 LYS CA 1 1 7 2891 1 1 21 LYS CB C 1.444 7.898 -1.708 1.00 . A A . 49 LYS CB 1 1 7 2892 1 1 21 LYS CD C 2.822 9.981 -1.776 1.00 . A A . 49 LYS CD 1 1 7 2893 1 1 21 LYS CE C 3.308 11.176 -0.954 1.00 . A A . 49 LYS CE 1 1 7 2894 1 1 21 LYS CG C 2.096 8.992 -0.861 1.00 . A A . 49 LYS CG 1 1 7 2895 1 1 21 LYS H H 0.760 6.856 0.537 1.00 . A A . 49 LYS H 1 1 7 2896 1 1 21 LYS HA H -0.495 8.682 -1.208 1.00 . A A . 49 LYS HA 1 1 7 2897 1 1 21 LYS HB2 H 1.977 6.968 -1.569 1.00 . A A . 49 LYS HB2 1 1 7 2898 1 1 21 LYS HB3 H 1.480 8.181 -2.749 1.00 . A A . 49 LYS HB3 1 1 7 2899 1 1 21 LYS HD2 H 3.668 9.491 -2.236 1.00 . A A . 49 LYS HD2 1 1 7 2900 1 1 21 LYS HD3 H 2.144 10.325 -2.542 1.00 . A A . 49 LYS HD3 1 1 7 2901 1 1 21 LYS HE2 H 2.715 11.260 -0.054 1.00 . A A . 49 LYS HE2 1 1 7 2902 1 1 21 LYS HE3 H 4.344 11.033 -0.690 1.00 . A A . 49 LYS HE3 1 1 7 2903 1 1 21 LYS HG2 H 1.336 9.512 -0.297 1.00 . A A . 49 LYS HG2 1 1 7 2904 1 1 21 LYS HG3 H 2.807 8.547 -0.181 1.00 . A A . 49 LYS HG3 1 1 7 2905 1 1 21 LYS HZ1 H 3.262 13.249 -1.137 1.00 . A A . 49 LYS HZ1 1 1 7 2906 1 1 21 LYS HZ2 H 2.232 12.439 -2.213 1.00 . A A . 49 LYS HZ2 1 1 7 2907 1 1 21 LYS HZ3 H 3.908 12.447 -2.489 1.00 . A A . 49 LYS HZ3 1 1 7 2908 1 1 21 LYS N N -0.065 7.031 0.040 1.00 . A A . 49 LYS N 1 1 7 2909 1 1 21 LYS NZ N 3.166 12.421 -1.759 1.00 . A A . 49 LYS NZ 1 1 7 2910 1 1 21 LYS O O -1.447 7.339 -3.158 1.00 . A A . 49 LYS O 1 1 7 2911 1 1 22 HIS C C -2.750 4.945 -3.148 1.00 . A A . 50 HIS C 1 1 7 2912 1 1 22 HIS CA C -1.249 4.652 -3.158 1.00 . A A . 50 HIS CA 1 1 7 2913 1 1 22 HIS CB C -1.008 3.201 -2.733 1.00 . A A . 50 HIS CB 1 1 7 2914 1 1 22 HIS CD2 C -2.699 1.192 -2.621 1.00 . A A . 50 HIS CD2 1 1 7 2915 1 1 22 HIS CE1 C -4.025 1.820 -4.215 1.00 . A A . 50 HIS CE1 1 1 7 2916 1 1 22 HIS CG C -2.200 2.370 -3.116 1.00 . A A . 50 HIS CG 1 1 7 2917 1 1 22 HIS H H 0.005 5.197 -1.500 1.00 . A A . 50 HIS H 1 1 7 2918 1 1 22 HIS HA H -0.856 4.808 -4.152 1.00 . A A . 50 HIS HA 1 1 7 2919 1 1 22 HIS HB2 H -0.125 2.823 -3.227 1.00 . A A . 50 HIS HB2 1 1 7 2920 1 1 22 HIS HB3 H -0.867 3.159 -1.663 1.00 . A A . 50 HIS HB3 1 1 7 2921 1 1 22 HIS HD1 H -2.980 3.550 -4.691 1.00 . A A . 50 HIS HD1 1 1 7 2922 1 1 22 HIS HD2 H -2.262 0.620 -1.815 1.00 . A A . 50 HIS HD2 1 1 7 2923 1 1 22 HIS HE1 H -4.844 1.863 -4.914 1.00 . A A . 50 HIS HE1 1 1 7 2924 1 1 22 HIS N N -0.568 5.564 -2.205 1.00 . A A . 50 HIS N 1 1 7 2925 1 1 22 HIS ND1 N -3.060 2.749 -4.132 1.00 . A A . 50 HIS ND1 1 1 7 2926 1 1 22 HIS NE2 N -3.853 0.845 -3.317 1.00 . A A . 50 HIS NE2 1 1 7 2927 1 1 22 HIS O O -3.391 4.981 -4.179 1.00 . A A . 50 HIS O 1 1 7 2928 1 1 23 LEU C C -5.017 6.867 -2.461 1.00 . A A . 51 LEU C 1 1 7 2929 1 1 23 LEU CA C -4.778 5.451 -1.938 1.00 . A A . 51 LEU CA 1 1 7 2930 1 1 23 LEU CB C -5.276 5.340 -0.495 1.00 . A A . 51 LEU CB 1 1 7 2931 1 1 23 LEU CD1 C -4.878 4.269 1.725 1.00 . A A . 51 LEU CD1 1 1 7 2932 1 1 23 LEU CD2 C -4.239 3.072 -0.370 1.00 . A A . 51 LEU CD2 1 1 7 2933 1 1 23 LEU CG C -4.334 4.441 0.306 1.00 . A A . 51 LEU CG 1 1 7 2934 1 1 23 LEU H H -2.789 5.130 -1.168 1.00 . A A . 51 LEU H 1 1 7 2935 1 1 23 LEU HA H -5.310 4.744 -2.559 1.00 . A A . 51 LEU HA 1 1 7 2936 1 1 23 LEU HB2 H -5.303 6.324 -0.049 1.00 . A A . 51 LEU HB2 1 1 7 2937 1 1 23 LEU HB3 H -6.267 4.914 -0.490 1.00 . A A . 51 LEU HB3 1 1 7 2938 1 1 23 LEU HD11 H -4.863 3.223 1.993 1.00 . A A . 51 LEU HD11 1 1 7 2939 1 1 23 LEU HD12 H -5.893 4.637 1.769 1.00 . A A . 51 LEU HD12 1 1 7 2940 1 1 23 LEU HD13 H -4.264 4.826 2.417 1.00 . A A . 51 LEU HD13 1 1 7 2941 1 1 23 LEU HD21 H -5.160 2.863 -0.894 1.00 . A A . 51 LEU HD21 1 1 7 2942 1 1 23 LEU HD22 H -4.071 2.311 0.378 1.00 . A A . 51 LEU HD22 1 1 7 2943 1 1 23 LEU HD23 H -3.418 3.073 -1.072 1.00 . A A . 51 LEU HD23 1 1 7 2944 1 1 23 LEU HG H -3.354 4.893 0.350 1.00 . A A . 51 LEU HG 1 1 7 2945 1 1 23 LEU N N -3.320 5.158 -1.993 1.00 . A A . 51 LEU N 1 1 7 2946 1 1 23 LEU O O -5.959 7.123 -3.184 1.00 . A A . 51 LEU O 1 1 7 2947 1 1 24 ARG C C -3.954 9.223 -4.087 1.00 . A A . 52 ARG C 1 1 7 2948 1 1 24 ARG CA C -4.323 9.181 -2.605 1.00 . A A . 52 ARG CA 1 1 7 2949 1 1 24 ARG CB C -3.400 10.114 -1.818 1.00 . A A . 52 ARG CB 1 1 7 2950 1 1 24 ARG CD C -4.762 11.955 -0.819 1.00 . A A . 52 ARG CD 1 1 7 2951 1 1 24 ARG CG C -3.863 11.561 -1.993 1.00 . A A . 52 ARG CG 1 1 7 2952 1 1 24 ARG CZ C -3.056 12.999 0.546 1.00 . A A . 52 ARG CZ 1 1 7 2953 1 1 24 ARG H H -3.399 7.556 -1.540 1.00 . A A . 52 ARG H 1 1 7 2954 1 1 24 ARG HA H -5.350 9.492 -2.477 1.00 . A A . 52 ARG HA 1 1 7 2955 1 1 24 ARG HB2 H -3.430 9.849 -0.770 1.00 . A A . 52 ARG HB2 1 1 7 2956 1 1 24 ARG HB3 H -2.390 10.015 -2.185 1.00 . A A . 52 ARG HB3 1 1 7 2957 1 1 24 ARG HD2 H -5.220 12.911 -1.023 1.00 . A A . 52 ARG HD2 1 1 7 2958 1 1 24 ARG HD3 H -5.530 11.209 -0.687 1.00 . A A . 52 ARG HD3 1 1 7 2959 1 1 24 ARG HE H -4.072 11.402 1.145 1.00 . A A . 52 ARG HE 1 1 7 2960 1 1 24 ARG HG2 H -3.002 12.213 -2.024 1.00 . A A . 52 ARG HG2 1 1 7 2961 1 1 24 ARG HG3 H -4.417 11.652 -2.915 1.00 . A A . 52 ARG HG3 1 1 7 2962 1 1 24 ARG HH11 H -3.438 13.801 -1.249 1.00 . A A . 52 ARG HH11 1 1 7 2963 1 1 24 ARG HH12 H -2.206 14.591 -0.322 1.00 . A A . 52 ARG HH12 1 1 7 2964 1 1 24 ARG HH21 H -2.467 12.420 2.369 1.00 . A A . 52 ARG HH21 1 1 7 2965 1 1 24 ARG HH22 H -1.656 13.809 1.726 1.00 . A A . 52 ARG HH22 1 1 7 2966 1 1 24 ARG N N -4.158 7.786 -2.114 1.00 . A A . 52 ARG N 1 1 7 2967 1 1 24 ARG NE N -3.943 12.051 0.421 1.00 . A A . 52 ARG NE 1 1 7 2968 1 1 24 ARG NH1 N -2.886 13.865 -0.417 1.00 . A A . 52 ARG NH1 1 1 7 2969 1 1 24 ARG NH2 N -2.337 13.082 1.632 1.00 . A A . 52 ARG NH2 1 1 7 2970 1 1 24 ARG O O -4.286 10.150 -4.799 1.00 . A A . 52 ARG O 1 1 7 2971 1 1 25 THR C C -3.788 7.189 -6.734 1.00 . A A . 53 THR C 1 1 7 2972 1 1 25 THR CA C -2.878 8.172 -5.993 1.00 . A A . 53 THR CA 1 1 7 2973 1 1 25 THR CB C -1.421 7.711 -6.111 1.00 . A A . 53 THR CB 1 1 7 2974 1 1 25 THR CG2 C -1.374 6.199 -6.350 1.00 . A A . 53 THR CG2 1 1 7 2975 1 1 25 THR H H -3.021 7.475 -3.962 1.00 . A A . 53 THR H 1 1 7 2976 1 1 25 THR HA H -2.982 9.157 -6.424 1.00 . A A . 53 THR HA 1 1 7 2977 1 1 25 THR HB H -0.893 7.943 -5.197 1.00 . A A . 53 THR HB 1 1 7 2978 1 1 25 THR HG1 H -1.133 7.993 -8.013 1.00 . A A . 53 THR HG1 1 1 7 2979 1 1 25 THR HG21 H -1.567 5.993 -7.392 1.00 . A A . 53 THR HG21 1 1 7 2980 1 1 25 THR HG22 H -2.124 5.716 -5.743 1.00 . A A . 53 THR HG22 1 1 7 2981 1 1 25 THR HG23 H -0.398 5.822 -6.084 1.00 . A A . 53 THR HG23 1 1 7 2982 1 1 25 THR N N -3.272 8.213 -4.557 1.00 . A A . 53 THR N 1 1 7 2983 1 1 25 THR O O -3.723 7.055 -7.939 1.00 . A A . 53 THR O 1 1 7 2984 1 1 25 THR OG1 O -0.802 8.382 -7.200 1.00 . A A . 53 THR OG1 1 1 7 2985 1 1 26 HIS C C -5.949 6.036 -8.054 1.00 . A A . 54 HIS C 1 1 7 2986 1 1 26 HIS CA C -5.547 5.520 -6.670 1.00 . A A . 54 HIS CA 1 1 7 2987 1 1 26 HIS CB C -6.799 5.338 -5.807 1.00 . A A . 54 HIS CB 1 1 7 2988 1 1 26 HIS CD2 C -7.091 3.257 -4.226 1.00 . A A . 54 HIS CD2 1 1 7 2989 1 1 26 HIS CE1 C -7.112 1.710 -5.744 1.00 . A A . 54 HIS CE1 1 1 7 2990 1 1 26 HIS CG C -6.949 3.887 -5.438 1.00 . A A . 54 HIS CG 1 1 7 2991 1 1 26 HIS H H -4.664 6.623 -5.045 1.00 . A A . 54 HIS H 1 1 7 2992 1 1 26 HIS HA H -5.042 4.571 -6.774 1.00 . A A . 54 HIS HA 1 1 7 2993 1 1 26 HIS HB2 H -6.706 5.931 -4.909 1.00 . A A . 54 HIS HB2 1 1 7 2994 1 1 26 HIS HB3 H -7.668 5.659 -6.361 1.00 . A A . 54 HIS HB3 1 1 7 2995 1 1 26 HIS HD1 H -6.879 3.000 -7.360 1.00 . A A . 54 HIS HD1 1 1 7 2996 1 1 26 HIS HD2 H -7.118 3.752 -3.266 1.00 . A A . 54 HIS HD2 1 1 7 2997 1 1 26 HIS HE1 H -7.159 0.749 -6.233 1.00 . A A . 54 HIS HE1 1 1 7 2998 1 1 26 HIS N N -4.633 6.500 -6.016 1.00 . A A . 54 HIS N 1 1 7 2999 1 1 26 HIS ND1 N -6.964 2.881 -6.391 1.00 . A A . 54 HIS ND1 1 1 7 3000 1 1 26 HIS NE2 N -7.195 1.882 -4.422 1.00 . A A . 54 HIS NE2 1 1 7 3001 1 1 26 HIS O O -6.041 7.227 -8.281 1.00 . A A . 54 HIS O 1 1 7 3002 1 1 27 GLY C C -5.548 5.104 -11.361 1.00 . A A . 55 GLY C 1 1 7 3003 1 1 27 GLY CA C -6.586 5.588 -10.348 1.00 . A A . 55 GLY CA 1 1 7 3004 1 1 27 GLY H H -6.111 4.194 -8.776 1.00 . A A . 55 GLY H 1 1 7 3005 1 1 27 GLY HA2 H -7.553 5.172 -10.593 1.00 . A A . 55 GLY HA2 1 1 7 3006 1 1 27 GLY HA3 H -6.640 6.666 -10.380 1.00 . A A . 55 GLY HA3 1 1 7 3007 1 1 27 GLY N N -6.190 5.149 -8.980 1.00 . A A . 55 GLY N 1 1 7 3008 1 1 27 GLY O O -5.944 4.494 -12.341 1.00 . A A . 55 GLY O 1 1 7 3009 1 1 27 GLY OXT O -4.374 5.352 -11.142 1.00 . A A . 55 GLY OXT 1 1 7 3010 2 2 1 ZN ZN ZN -5.839 0.518 -3.685 1.00 . B A . 84 ZN ZN 1 1 8 3011 1 1 1 GLU C C 3.999 -10.880 3.493 1.00 . A A . 29 GLU C 1 1 8 3012 1 1 1 GLU CA C 3.910 -12.013 2.469 1.00 . A A . 29 GLU CA 1 1 8 3013 1 1 1 GLU CB C 2.442 -12.383 2.246 1.00 . A A . 29 GLU CB 1 1 8 3014 1 1 1 GLU CD C 0.373 -11.614 1.076 1.00 . A A . 29 GLU CD 1 1 8 3015 1 1 1 GLU CG C 1.682 -11.161 1.726 1.00 . A A . 29 GLU CG 1 1 8 3016 1 1 1 GLU H1 H 4.144 -13.600 3.796 1.00 . A A . 29 GLU H1 1 1 8 3017 1 1 1 GLU H2 H 5.607 -12.914 3.271 1.00 . A A . 29 GLU H2 1 1 8 3018 1 1 1 GLU H3 H 4.714 -13.918 2.230 1.00 . A A . 29 GLU H3 1 1 8 3019 1 1 1 GLU HA H 4.347 -11.690 1.535 1.00 . A A . 29 GLU HA 1 1 8 3020 1 1 1 GLU HB2 H 2.379 -13.183 1.522 1.00 . A A . 29 GLU HB2 1 1 8 3021 1 1 1 GLU HB3 H 2.006 -12.706 3.179 1.00 . A A . 29 GLU HB3 1 1 8 3022 1 1 1 GLU HG2 H 1.465 -10.497 2.550 1.00 . A A . 29 GLU HG2 1 1 8 3023 1 1 1 GLU HG3 H 2.285 -10.646 0.995 1.00 . A A . 29 GLU HG3 1 1 8 3024 1 1 1 GLU N N 4.650 -13.201 2.980 1.00 . A A . 29 GLU N 1 1 8 3025 1 1 1 GLU O O 3.850 -11.091 4.679 1.00 . A A . 29 GLU O 1 1 8 3026 1 1 1 GLU OE1 O 0.121 -12.807 1.068 1.00 . A A . 29 GLU OE1 1 1 8 3027 1 1 1 GLU OE2 O -0.354 -10.760 0.597 1.00 . A A . 29 GLU OE2 1 1 8 3028 1 1 2 LYS C C 2.939 -8.183 4.514 1.00 . A A . 30 LYS C 1 1 8 3029 1 1 2 LYS CA C 4.337 -8.532 3.992 1.00 . A A . 30 LYS CA 1 1 8 3030 1 1 2 LYS CB C 4.926 -7.320 3.266 1.00 . A A . 30 LYS CB 1 1 8 3031 1 1 2 LYS CD C 6.616 -8.291 1.702 1.00 . A A . 30 LYS CD 1 1 8 3032 1 1 2 LYS CE C 8.110 -8.390 1.390 1.00 . A A . 30 LYS CE 1 1 8 3033 1 1 2 LYS CG C 6.420 -7.546 3.025 1.00 . A A . 30 LYS CG 1 1 8 3034 1 1 2 LYS H H 4.356 -9.529 2.081 1.00 . A A . 30 LYS H 1 1 8 3035 1 1 2 LYS HA H 4.978 -8.803 4.817 1.00 . A A . 30 LYS HA 1 1 8 3036 1 1 2 LYS HB2 H 4.422 -7.189 2.320 1.00 . A A . 30 LYS HB2 1 1 8 3037 1 1 2 LYS HB3 H 4.792 -6.437 3.872 1.00 . A A . 30 LYS HB3 1 1 8 3038 1 1 2 LYS HD2 H 6.197 -9.284 1.782 1.00 . A A . 30 LYS HD2 1 1 8 3039 1 1 2 LYS HD3 H 6.119 -7.752 0.909 1.00 . A A . 30 LYS HD3 1 1 8 3040 1 1 2 LYS HE2 H 8.258 -8.334 0.320 1.00 . A A . 30 LYS HE2 1 1 8 3041 1 1 2 LYS HE3 H 8.633 -7.575 1.868 1.00 . A A . 30 LYS HE3 1 1 8 3042 1 1 2 LYS HG2 H 6.925 -6.592 2.981 1.00 . A A . 30 LYS HG2 1 1 8 3043 1 1 2 LYS HG3 H 6.830 -8.135 3.831 1.00 . A A . 30 LYS HG3 1 1 8 3044 1 1 2 LYS HZ1 H 8.795 -10.335 1.100 1.00 . A A . 30 LYS HZ1 1 1 8 3045 1 1 2 LYS HZ2 H 7.952 -10.108 2.554 1.00 . A A . 30 LYS HZ2 1 1 8 3046 1 1 2 LYS HZ3 H 9.539 -9.523 2.394 1.00 . A A . 30 LYS HZ3 1 1 8 3047 1 1 2 LYS N N 4.240 -9.678 3.043 1.00 . A A . 30 LYS N 1 1 8 3048 1 1 2 LYS NZ N 8.639 -9.687 1.898 1.00 . A A . 30 LYS NZ 1 1 8 3049 1 1 2 LYS O O 2.087 -7.741 3.769 1.00 . A A . 30 LYS O 1 1 8 3050 1 1 3 PRO C C 0.881 -6.675 6.062 1.00 . A A . 31 PRO C 1 1 8 3051 1 1 3 PRO CA C 1.388 -8.076 6.418 1.00 . A A . 31 PRO CA 1 1 8 3052 1 1 3 PRO CB C 1.667 -8.175 7.918 1.00 . A A . 31 PRO CB 1 1 8 3053 1 1 3 PRO CD C 3.671 -8.906 6.764 1.00 . A A . 31 PRO CD 1 1 8 3054 1 1 3 PRO CG C 2.851 -9.074 8.045 1.00 . A A . 31 PRO CG 1 1 8 3055 1 1 3 PRO HA H 0.660 -8.820 6.137 1.00 . A A . 31 PRO HA 1 1 8 3056 1 1 3 PRO HB2 H 1.892 -7.196 8.320 1.00 . A A . 31 PRO HB2 1 1 8 3057 1 1 3 PRO HB3 H 0.821 -8.606 8.429 1.00 . A A . 31 PRO HB3 1 1 8 3058 1 1 3 PRO HD2 H 4.478 -8.205 6.923 1.00 . A A . 31 PRO HD2 1 1 8 3059 1 1 3 PRO HD3 H 4.054 -9.859 6.434 1.00 . A A . 31 PRO HD3 1 1 8 3060 1 1 3 PRO HG2 H 3.440 -8.790 8.906 1.00 . A A . 31 PRO HG2 1 1 8 3061 1 1 3 PRO HG3 H 2.530 -10.100 8.136 1.00 . A A . 31 PRO HG3 1 1 8 3062 1 1 3 PRO N N 2.706 -8.378 5.787 1.00 . A A . 31 PRO N 1 1 8 3063 1 1 3 PRO O O -0.128 -6.223 6.568 1.00 . A A . 31 PRO O 1 1 8 3064 1 1 4 PHE C C 0.633 -4.617 3.371 1.00 . A A . 32 PHE C 1 1 8 3065 1 1 4 PHE CA C 1.130 -4.613 4.818 1.00 . A A . 32 PHE CA 1 1 8 3066 1 1 4 PHE CB C 2.307 -3.643 4.951 1.00 . A A . 32 PHE CB 1 1 8 3067 1 1 4 PHE CD1 C 2.578 -3.658 7.456 1.00 . A A . 32 PHE CD1 1 1 8 3068 1 1 4 PHE CD2 C 1.843 -1.616 6.374 1.00 . A A . 32 PHE CD2 1 1 8 3069 1 1 4 PHE CE1 C 2.517 -3.020 8.701 1.00 . A A . 32 PHE CE1 1 1 8 3070 1 1 4 PHE CE2 C 1.783 -0.978 7.618 1.00 . A A . 32 PHE CE2 1 1 8 3071 1 1 4 PHE CG C 2.241 -2.955 6.293 1.00 . A A . 32 PHE CG 1 1 8 3072 1 1 4 PHE CZ C 2.120 -1.680 8.782 1.00 . A A . 32 PHE CZ 1 1 8 3073 1 1 4 PHE H H 2.385 -6.364 4.804 1.00 . A A . 32 PHE H 1 1 8 3074 1 1 4 PHE HA H 0.331 -4.299 5.472 1.00 . A A . 32 PHE HA 1 1 8 3075 1 1 4 PHE HB2 H 3.235 -4.191 4.870 1.00 . A A . 32 PHE HB2 1 1 8 3076 1 1 4 PHE HB3 H 2.254 -2.904 4.165 1.00 . A A . 32 PHE HB3 1 1 8 3077 1 1 4 PHE HD1 H 2.884 -4.691 7.393 1.00 . A A . 32 PHE HD1 1 1 8 3078 1 1 4 PHE HD2 H 1.584 -1.074 5.476 1.00 . A A . 32 PHE HD2 1 1 8 3079 1 1 4 PHE HE1 H 2.776 -3.562 9.599 1.00 . A A . 32 PHE HE1 1 1 8 3080 1 1 4 PHE HE2 H 1.476 0.056 7.681 1.00 . A A . 32 PHE HE2 1 1 8 3081 1 1 4 PHE HZ H 2.073 -1.188 9.742 1.00 . A A . 32 PHE HZ 1 1 8 3082 1 1 4 PHE N N 1.573 -5.984 5.200 1.00 . A A . 32 PHE N 1 1 8 3083 1 1 4 PHE O O 1.252 -4.053 2.490 1.00 . A A . 32 PHE O 1 1 8 3084 1 1 5 SER C C -2.223 -4.345 1.628 1.00 . A A . 33 SER C 1 1 8 3085 1 1 5 SER CA C -1.019 -5.283 1.729 1.00 . A A . 33 SER CA 1 1 8 3086 1 1 5 SER CB C -1.452 -6.710 1.388 1.00 . A A . 33 SER CB 1 1 8 3087 1 1 5 SER H H -0.966 -5.694 3.842 1.00 . A A . 33 SER H 1 1 8 3088 1 1 5 SER HA H -0.253 -4.964 1.038 1.00 . A A . 33 SER HA 1 1 8 3089 1 1 5 SER HB2 H -2.466 -6.702 1.022 1.00 . A A . 33 SER HB2 1 1 8 3090 1 1 5 SER HB3 H -0.799 -7.110 0.623 1.00 . A A . 33 SER HB3 1 1 8 3091 1 1 5 SER HG H -1.403 -6.932 3.320 1.00 . A A . 33 SER HG 1 1 8 3092 1 1 5 SER N N -0.482 -5.247 3.118 1.00 . A A . 33 SER N 1 1 8 3093 1 1 5 SER O O -2.842 -4.009 2.617 1.00 . A A . 33 SER O 1 1 8 3094 1 1 5 SER OG O -1.383 -7.515 2.557 1.00 . A A . 33 SER OG 1 1 8 3095 1 1 6 CYS C C -5.025 -3.781 0.502 1.00 . A A . 34 CYS C 1 1 8 3096 1 1 6 CYS CA C -3.726 -2.999 0.293 1.00 . A A . 34 CYS CA 1 1 8 3097 1 1 6 CYS CB C -3.721 -2.386 -1.109 1.00 . A A . 34 CYS CB 1 1 8 3098 1 1 6 CYS H H -2.049 -4.196 -0.348 1.00 . A A . 34 CYS H 1 1 8 3099 1 1 6 CYS HA H -3.659 -2.211 1.028 1.00 . A A . 34 CYS HA 1 1 8 3100 1 1 6 CYS HB2 H -2.793 -1.857 -1.267 1.00 . A A . 34 CYS HB2 1 1 8 3101 1 1 6 CYS HB3 H -3.820 -3.171 -1.844 1.00 . A A . 34 CYS HB3 1 1 8 3102 1 1 6 CYS N N -2.560 -3.916 0.442 1.00 . A A . 34 CYS N 1 1 8 3103 1 1 6 CYS O O -5.011 -4.967 0.765 1.00 . A A . 34 CYS O 1 1 8 3104 1 1 6 CYS SG S -5.109 -1.235 -1.262 1.00 . A A . 34 CYS SG 1 1 8 3105 1 1 7 SER C C -7.929 -4.391 -0.758 1.00 . A A . 35 SER C 1 1 8 3106 1 1 7 SER CA C -7.447 -3.829 0.581 1.00 . A A . 35 SER CA 1 1 8 3107 1 1 7 SER CB C -8.485 -2.847 1.125 1.00 . A A . 35 SER CB 1 1 8 3108 1 1 7 SER H H -6.137 -2.168 0.177 1.00 . A A . 35 SER H 1 1 8 3109 1 1 7 SER HA H -7.316 -4.638 1.284 1.00 . A A . 35 SER HA 1 1 8 3110 1 1 7 SER HB2 H -8.101 -1.843 1.064 1.00 . A A . 35 SER HB2 1 1 8 3111 1 1 7 SER HB3 H -9.390 -2.919 0.535 1.00 . A A . 35 SER HB3 1 1 8 3112 1 1 7 SER HG H -8.723 -2.346 2.990 1.00 . A A . 35 SER HG 1 1 8 3113 1 1 7 SER N N -6.148 -3.124 0.388 1.00 . A A . 35 SER N 1 1 8 3114 1 1 7 SER O O -8.309 -5.540 -0.858 1.00 . A A . 35 SER O 1 1 8 3115 1 1 7 SER OG O -8.763 -3.160 2.483 1.00 . A A . 35 SER OG 1 1 8 3116 1 1 8 LEU C C -7.309 -3.796 -4.173 1.00 . A A . 36 LEU C 1 1 8 3117 1 1 8 LEU CA C -8.381 -4.082 -3.117 1.00 . A A . 36 LEU CA 1 1 8 3118 1 1 8 LEU CB C -9.678 -3.363 -3.499 1.00 . A A . 36 LEU CB 1 1 8 3119 1 1 8 LEU CD1 C -10.361 -5.279 -4.951 1.00 . A A . 36 LEU CD1 1 1 8 3120 1 1 8 LEU CD2 C -11.364 -3.020 -5.308 1.00 . A A . 36 LEU CD2 1 1 8 3121 1 1 8 LEU CG C -10.092 -3.774 -4.913 1.00 . A A . 36 LEU CG 1 1 8 3122 1 1 8 LEU H H -7.611 -2.664 -1.689 1.00 . A A . 36 LEU H 1 1 8 3123 1 1 8 LEU HA H -8.561 -5.145 -3.065 1.00 . A A . 36 LEU HA 1 1 8 3124 1 1 8 LEU HB2 H -10.457 -3.633 -2.802 1.00 . A A . 36 LEU HB2 1 1 8 3125 1 1 8 LEU HB3 H -9.519 -2.296 -3.468 1.00 . A A . 36 LEU HB3 1 1 8 3126 1 1 8 LEU HD11 H -9.433 -5.806 -5.116 1.00 . A A . 36 LEU HD11 1 1 8 3127 1 1 8 LEU HD12 H -11.049 -5.501 -5.752 1.00 . A A . 36 LEU HD12 1 1 8 3128 1 1 8 LEU HD13 H -10.790 -5.591 -4.010 1.00 . A A . 36 LEU HD13 1 1 8 3129 1 1 8 LEU HD21 H -11.411 -2.085 -4.770 1.00 . A A . 36 LEU HD21 1 1 8 3130 1 1 8 LEU HD22 H -12.229 -3.620 -5.064 1.00 . A A . 36 LEU HD22 1 1 8 3131 1 1 8 LEU HD23 H -11.351 -2.823 -6.370 1.00 . A A . 36 LEU HD23 1 1 8 3132 1 1 8 LEU HG H -9.298 -3.532 -5.605 1.00 . A A . 36 LEU HG 1 1 8 3133 1 1 8 LEU N N -7.919 -3.589 -1.789 1.00 . A A . 36 LEU N 1 1 8 3134 1 1 8 LEU O O -7.292 -2.747 -4.783 1.00 . A A . 36 LEU O 1 1 8 3135 1 1 9 CYS C C -4.100 -5.318 -4.982 1.00 . A A . 37 CYS C 1 1 8 3136 1 1 9 CYS CA C -5.345 -4.533 -5.409 1.00 . A A . 37 CYS CA 1 1 8 3137 1 1 9 CYS CB C -4.990 -3.048 -5.520 1.00 . A A . 37 CYS CB 1 1 8 3138 1 1 9 CYS H H -6.463 -5.568 -3.886 1.00 . A A . 37 CYS H 1 1 8 3139 1 1 9 CYS HA H -5.688 -4.894 -6.367 1.00 . A A . 37 CYS HA 1 1 8 3140 1 1 9 CYS HB2 H -4.003 -2.946 -5.949 1.00 . A A . 37 CYS HB2 1 1 8 3141 1 1 9 CYS HB3 H -5.709 -2.551 -6.156 1.00 . A A . 37 CYS HB3 1 1 8 3142 1 1 9 CYS N N -6.421 -4.730 -4.392 1.00 . A A . 37 CYS N 1 1 8 3143 1 1 9 CYS O O -3.699 -5.278 -3.836 1.00 . A A . 37 CYS O 1 1 8 3144 1 1 9 CYS SG S -5.010 -2.293 -3.876 1.00 . A A . 37 CYS SG 1 1 8 3145 1 1 10 PRO C C -1.024 -5.965 -5.449 1.00 . A A . 38 PRO C 1 1 8 3146 1 1 10 PRO CA C -2.274 -6.835 -5.614 1.00 . A A . 38 PRO CA 1 1 8 3147 1 1 10 PRO CB C -2.139 -7.733 -6.843 1.00 . A A . 38 PRO CB 1 1 8 3148 1 1 10 PRO CD C -3.905 -6.134 -7.308 1.00 . A A . 38 PRO CD 1 1 8 3149 1 1 10 PRO CG C -2.811 -6.989 -7.951 1.00 . A A . 38 PRO CG 1 1 8 3150 1 1 10 PRO HA H -2.424 -7.444 -4.738 1.00 . A A . 38 PRO HA 1 1 8 3151 1 1 10 PRO HB2 H -1.095 -7.893 -7.076 1.00 . A A . 38 PRO HB2 1 1 8 3152 1 1 10 PRO HB3 H -2.638 -8.674 -6.677 1.00 . A A . 38 PRO HB3 1 1 8 3153 1 1 10 PRO HD2 H -3.941 -5.157 -7.771 1.00 . A A . 38 PRO HD2 1 1 8 3154 1 1 10 PRO HD3 H -4.862 -6.626 -7.380 1.00 . A A . 38 PRO HD3 1 1 8 3155 1 1 10 PRO HG2 H -2.094 -6.359 -8.459 1.00 . A A . 38 PRO HG2 1 1 8 3156 1 1 10 PRO HG3 H -3.256 -7.682 -8.647 1.00 . A A . 38 PRO HG3 1 1 8 3157 1 1 10 PRO N N -3.493 -6.026 -5.898 1.00 . A A . 38 PRO N 1 1 8 3158 1 1 10 PRO O O -0.194 -5.883 -6.333 1.00 . A A . 38 PRO O 1 1 8 3159 1 1 11 GLN C C 0.644 -4.401 -2.615 1.00 . A A . 39 GLN C 1 1 8 3160 1 1 11 GLN CA C 0.320 -4.461 -4.110 1.00 . A A . 39 GLN CA 1 1 8 3161 1 1 11 GLN CB C 0.039 -3.049 -4.630 1.00 . A A . 39 GLN CB 1 1 8 3162 1 1 11 GLN CD C -1.338 -0.989 -4.303 1.00 . A A . 39 GLN CD 1 1 8 3163 1 1 11 GLN CG C -1.027 -2.384 -3.757 1.00 . A A . 39 GLN CG 1 1 8 3164 1 1 11 GLN H H -1.558 -5.398 -3.621 1.00 . A A . 39 GLN H 1 1 8 3165 1 1 11 GLN HA H 1.161 -4.878 -4.644 1.00 . A A . 39 GLN HA 1 1 8 3166 1 1 11 GLN HB2 H 0.947 -2.466 -4.597 1.00 . A A . 39 GLN HB2 1 1 8 3167 1 1 11 GLN HB3 H -0.317 -3.105 -5.648 1.00 . A A . 39 GLN HB3 1 1 8 3168 1 1 11 GLN HE21 H 0.492 -0.294 -3.964 1.00 . A A . 39 GLN HE21 1 1 8 3169 1 1 11 GLN HE22 H -0.590 0.817 -4.654 1.00 . A A . 39 GLN HE22 1 1 8 3170 1 1 11 GLN HG2 H -1.926 -2.985 -3.768 1.00 . A A . 39 GLN HG2 1 1 8 3171 1 1 11 GLN HG3 H -0.662 -2.300 -2.745 1.00 . A A . 39 GLN HG3 1 1 8 3172 1 1 11 GLN N N -0.879 -5.319 -4.323 1.00 . A A . 39 GLN N 1 1 8 3173 1 1 11 GLN NE2 N -0.400 -0.080 -4.308 1.00 . A A . 39 GLN NE2 1 1 8 3174 1 1 11 GLN O O -0.238 -4.368 -1.780 1.00 . A A . 39 GLN O 1 1 8 3175 1 1 11 GLN OE1 O -2.444 -0.723 -4.729 1.00 . A A . 39 GLN OE1 1 1 8 3176 1 1 12 ARG C C 3.159 -3.104 -0.585 1.00 . A A . 40 ARG C 1 1 8 3177 1 1 12 ARG CA C 2.284 -4.333 -0.834 1.00 . A A . 40 ARG CA 1 1 8 3178 1 1 12 ARG CB C 3.062 -5.597 -0.458 1.00 . A A . 40 ARG CB 1 1 8 3179 1 1 12 ARG CD C 3.893 -6.501 -2.636 1.00 . A A . 40 ARG CD 1 1 8 3180 1 1 12 ARG CG C 2.850 -6.672 -1.528 1.00 . A A . 40 ARG CG 1 1 8 3181 1 1 12 ARG CZ C 6.240 -6.023 -2.244 1.00 . A A . 40 ARG CZ 1 1 8 3182 1 1 12 ARG H H 2.599 -4.418 -2.963 1.00 . A A . 40 ARG H 1 1 8 3183 1 1 12 ARG HA H 1.391 -4.267 -0.229 1.00 . A A . 40 ARG HA 1 1 8 3184 1 1 12 ARG HB2 H 4.114 -5.364 -0.384 1.00 . A A . 40 ARG HB2 1 1 8 3185 1 1 12 ARG HB3 H 2.708 -5.968 0.493 1.00 . A A . 40 ARG HB3 1 1 8 3186 1 1 12 ARG HD2 H 3.648 -7.152 -3.462 1.00 . A A . 40 ARG HD2 1 1 8 3187 1 1 12 ARG HD3 H 3.894 -5.477 -2.973 1.00 . A A . 40 ARG HD3 1 1 8 3188 1 1 12 ARG HE H 5.379 -7.713 -1.654 1.00 . A A . 40 ARG HE 1 1 8 3189 1 1 12 ARG HG2 H 2.957 -7.650 -1.081 1.00 . A A . 40 ARG HG2 1 1 8 3190 1 1 12 ARG HG3 H 1.861 -6.575 -1.949 1.00 . A A . 40 ARG HG3 1 1 8 3191 1 1 12 ARG HH11 H 5.167 -4.636 -3.212 1.00 . A A . 40 ARG HH11 1 1 8 3192 1 1 12 ARG HH12 H 6.832 -4.246 -2.951 1.00 . A A . 40 ARG HH12 1 1 8 3193 1 1 12 ARG HH21 H 7.554 -7.213 -1.312 1.00 . A A . 40 ARG HH21 1 1 8 3194 1 1 12 ARG HH22 H 8.182 -5.701 -1.878 1.00 . A A . 40 ARG HH22 1 1 8 3195 1 1 12 ARG N N 1.904 -4.389 -2.273 1.00 . A A . 40 ARG N 1 1 8 3196 1 1 12 ARG NE N 5.241 -6.854 -2.107 1.00 . A A . 40 ARG NE 1 1 8 3197 1 1 12 ARG NH1 N 6.065 -4.879 -2.850 1.00 . A A . 40 ARG NH1 1 1 8 3198 1 1 12 ARG NH2 N 7.417 -6.336 -1.775 1.00 . A A . 40 ARG NH2 1 1 8 3199 1 1 12 ARG O O 3.876 -2.655 -1.457 1.00 . A A . 40 ARG O 1 1 8 3200 1 1 13 SER C C 4.781 -1.618 2.148 1.00 . A A . 41 SER C 1 1 8 3201 1 1 13 SER CA C 3.937 -1.355 0.899 1.00 . A A . 41 SER CA 1 1 8 3202 1 1 13 SER CB C 3.025 -0.154 1.146 1.00 . A A . 41 SER CB 1 1 8 3203 1 1 13 SER H H 2.522 -2.932 1.288 1.00 . A A . 41 SER H 1 1 8 3204 1 1 13 SER HA H 4.587 -1.148 0.063 1.00 . A A . 41 SER HA 1 1 8 3205 1 1 13 SER HB2 H 3.606 0.672 1.521 1.00 . A A . 41 SER HB2 1 1 8 3206 1 1 13 SER HB3 H 2.552 0.134 0.216 1.00 . A A . 41 SER HB3 1 1 8 3207 1 1 13 SER HG H 1.333 0.146 2.059 1.00 . A A . 41 SER HG 1 1 8 3208 1 1 13 SER N N 3.107 -2.555 0.598 1.00 . A A . 41 SER N 1 1 8 3209 1 1 13 SER O O 4.825 -2.720 2.660 1.00 . A A . 41 SER O 1 1 8 3210 1 1 13 SER OG O 2.037 -0.504 2.107 1.00 . A A . 41 SER OG 1 1 8 3211 1 1 14 ARG C C 5.758 0.072 4.991 1.00 . A A . 42 ARG C 1 1 8 3212 1 1 14 ARG CA C 6.292 -0.807 3.860 1.00 . A A . 42 ARG CA 1 1 8 3213 1 1 14 ARG CB C 7.738 -0.416 3.548 1.00 . A A . 42 ARG CB 1 1 8 3214 1 1 14 ARG CD C 9.567 -2.098 3.283 1.00 . A A . 42 ARG CD 1 1 8 3215 1 1 14 ARG CG C 8.357 -1.452 2.607 1.00 . A A . 42 ARG CG 1 1 8 3216 1 1 14 ARG CZ C 11.180 -3.775 2.609 1.00 . A A . 42 ARG CZ 1 1 8 3217 1 1 14 ARG H H 5.403 0.265 2.216 1.00 . A A . 42 ARG H 1 1 8 3218 1 1 14 ARG HA H 6.256 -1.844 4.162 1.00 . A A . 42 ARG HA 1 1 8 3219 1 1 14 ARG HB2 H 7.754 0.556 3.076 1.00 . A A . 42 ARG HB2 1 1 8 3220 1 1 14 ARG HB3 H 8.306 -0.380 4.465 1.00 . A A . 42 ARG HB3 1 1 8 3221 1 1 14 ARG HD2 H 10.159 -1.336 3.769 1.00 . A A . 42 ARG HD2 1 1 8 3222 1 1 14 ARG HD3 H 9.229 -2.814 4.018 1.00 . A A . 42 ARG HD3 1 1 8 3223 1 1 14 ARG HE H 10.351 -2.514 1.321 1.00 . A A . 42 ARG HE 1 1 8 3224 1 1 14 ARG HG2 H 7.624 -2.211 2.375 1.00 . A A . 42 ARG HG2 1 1 8 3225 1 1 14 ARG HG3 H 8.674 -0.967 1.695 1.00 . A A . 42 ARG HG3 1 1 8 3226 1 1 14 ARG HH11 H 10.683 -3.680 4.547 1.00 . A A . 42 ARG HH11 1 1 8 3227 1 1 14 ARG HH12 H 11.841 -4.899 4.129 1.00 . A A . 42 ARG HH12 1 1 8 3228 1 1 14 ARG HH21 H 11.859 -4.099 0.755 1.00 . A A . 42 ARG HH21 1 1 8 3229 1 1 14 ARG HH22 H 12.506 -5.137 1.981 1.00 . A A . 42 ARG HH22 1 1 8 3230 1 1 14 ARG N N 5.452 -0.616 2.644 1.00 . A A . 42 ARG N 1 1 8 3231 1 1 14 ARG NE N 10.396 -2.793 2.258 1.00 . A A . 42 ARG NE 1 1 8 3232 1 1 14 ARG NH1 N 11.240 -4.147 3.859 1.00 . A A . 42 ARG NH1 1 1 8 3233 1 1 14 ARG NH2 N 11.904 -4.384 1.712 1.00 . A A . 42 ARG NH2 1 1 8 3234 1 1 14 ARG O O 5.380 -0.409 6.041 1.00 . A A . 42 ARG O 1 1 8 3235 1 1 15 ASP C C 3.902 2.913 5.382 1.00 . A A . 43 ASP C 1 1 8 3236 1 1 15 ASP CA C 5.212 2.272 5.847 1.00 . A A . 43 ASP CA 1 1 8 3237 1 1 15 ASP CB C 6.246 3.366 6.117 1.00 . A A . 43 ASP CB 1 1 8 3238 1 1 15 ASP CG C 6.169 3.791 7.585 1.00 . A A . 43 ASP CG 1 1 8 3239 1 1 15 ASP H H 6.030 1.727 3.931 1.00 . A A . 43 ASP H 1 1 8 3240 1 1 15 ASP HA H 5.037 1.710 6.752 1.00 . A A . 43 ASP HA 1 1 8 3241 1 1 15 ASP HB2 H 7.235 2.988 5.902 1.00 . A A . 43 ASP HB2 1 1 8 3242 1 1 15 ASP HB3 H 6.042 4.218 5.486 1.00 . A A . 43 ASP HB3 1 1 8 3243 1 1 15 ASP N N 5.722 1.360 4.784 1.00 . A A . 43 ASP N 1 1 8 3244 1 1 15 ASP O O 3.579 2.903 4.210 1.00 . A A . 43 ASP O 1 1 8 3245 1 1 15 ASP OD1 O 5.077 4.092 8.037 1.00 . A A . 43 ASP OD1 1 1 8 3246 1 1 15 ASP OD2 O 7.203 3.807 8.231 1.00 . A A . 43 ASP OD2 1 1 8 3247 1 1 16 PHE C C 2.146 5.272 4.937 1.00 . A A . 44 PHE C 1 1 8 3248 1 1 16 PHE CA C 1.862 4.111 5.893 1.00 . A A . 44 PHE CA 1 1 8 3249 1 1 16 PHE CB C 1.148 4.640 7.139 1.00 . A A . 44 PHE CB 1 1 8 3250 1 1 16 PHE CD1 C -1.165 3.704 6.766 1.00 . A A . 44 PHE CD1 1 1 8 3251 1 1 16 PHE CD2 C -0.840 6.103 6.626 1.00 . A A . 44 PHE CD2 1 1 8 3252 1 1 16 PHE CE1 C -2.526 3.872 6.486 1.00 . A A . 44 PHE CE1 1 1 8 3253 1 1 16 PHE CE2 C -2.201 6.271 6.345 1.00 . A A . 44 PHE CE2 1 1 8 3254 1 1 16 PHE CG C -0.321 4.819 6.837 1.00 . A A . 44 PHE CG 1 1 8 3255 1 1 16 PHE CZ C -3.044 5.155 6.276 1.00 . A A . 44 PHE CZ 1 1 8 3256 1 1 16 PHE H H 3.427 3.469 7.227 1.00 . A A . 44 PHE H 1 1 8 3257 1 1 16 PHE HA H 1.235 3.384 5.399 1.00 . A A . 44 PHE HA 1 1 8 3258 1 1 16 PHE HB2 H 1.266 3.933 7.948 1.00 . A A . 44 PHE HB2 1 1 8 3259 1 1 16 PHE HB3 H 1.575 5.589 7.424 1.00 . A A . 44 PHE HB3 1 1 8 3260 1 1 16 PHE HD1 H -0.764 2.714 6.929 1.00 . A A . 44 PHE HD1 1 1 8 3261 1 1 16 PHE HD2 H -0.190 6.964 6.679 1.00 . A A . 44 PHE HD2 1 1 8 3262 1 1 16 PHE HE1 H -3.176 3.012 6.433 1.00 . A A . 44 PHE HE1 1 1 8 3263 1 1 16 PHE HE2 H -2.601 7.260 6.183 1.00 . A A . 44 PHE HE2 1 1 8 3264 1 1 16 PHE HZ H -4.094 5.285 6.059 1.00 . A A . 44 PHE HZ 1 1 8 3265 1 1 16 PHE N N 3.148 3.471 6.288 1.00 . A A . 44 PHE N 1 1 8 3266 1 1 16 PHE O O 1.369 5.560 4.048 1.00 . A A . 44 PHE O 1 1 8 3267 1 1 17 SER C C 3.521 6.611 2.756 1.00 . A A . 45 SER C 1 1 8 3268 1 1 17 SER CA C 3.588 7.077 4.211 1.00 . A A . 45 SER CA 1 1 8 3269 1 1 17 SER CB C 4.999 7.578 4.521 1.00 . A A . 45 SER CB 1 1 8 3270 1 1 17 SER H H 3.869 5.688 5.834 1.00 . A A . 45 SER H 1 1 8 3271 1 1 17 SER HA H 2.880 7.879 4.366 1.00 . A A . 45 SER HA 1 1 8 3272 1 1 17 SER HB2 H 5.402 8.084 3.660 1.00 . A A . 45 SER HB2 1 1 8 3273 1 1 17 SER HB3 H 4.961 8.267 5.355 1.00 . A A . 45 SER HB3 1 1 8 3274 1 1 17 SER HG H 6.687 6.613 4.435 1.00 . A A . 45 SER HG 1 1 8 3275 1 1 17 SER N N 3.255 5.939 5.111 1.00 . A A . 45 SER N 1 1 8 3276 1 1 17 SER O O 2.965 7.276 1.905 1.00 . A A . 45 SER O 1 1 8 3277 1 1 17 SER OG O 5.830 6.470 4.843 1.00 . A A . 45 SER OG 1 1 8 3278 1 1 18 ALA C C 2.678 4.343 0.781 1.00 . A A . 46 ALA C 1 1 8 3279 1 1 18 ALA CA C 4.050 4.959 1.065 1.00 . A A . 46 ALA CA 1 1 8 3280 1 1 18 ALA CB C 5.134 3.894 0.888 1.00 . A A . 46 ALA CB 1 1 8 3281 1 1 18 ALA H H 4.525 4.947 3.166 1.00 . A A . 46 ALA H 1 1 8 3282 1 1 18 ALA HA H 4.229 5.774 0.379 1.00 . A A . 46 ALA HA 1 1 8 3283 1 1 18 ALA HB1 H 4.682 2.913 0.915 1.00 . A A . 46 ALA HB1 1 1 8 3284 1 1 18 ALA HB2 H 5.857 3.980 1.685 1.00 . A A . 46 ALA HB2 1 1 8 3285 1 1 18 ALA HB3 H 5.627 4.037 -0.063 1.00 . A A . 46 ALA HB3 1 1 8 3286 1 1 18 ALA N N 4.083 5.470 2.464 1.00 . A A . 46 ALA N 1 1 8 3287 1 1 18 ALA O O 2.105 4.542 -0.272 1.00 . A A . 46 ALA O 1 1 8 3288 1 1 19 MET C C -0.222 4.067 1.225 1.00 . A A . 47 MET C 1 1 8 3289 1 1 19 MET CA C 0.813 2.974 1.493 1.00 . A A . 47 MET CA 1 1 8 3290 1 1 19 MET CB C 0.407 2.184 2.739 1.00 . A A . 47 MET CB 1 1 8 3291 1 1 19 MET CE C -2.810 -0.160 3.531 1.00 . A A . 47 MET CE 1 1 8 3292 1 1 19 MET CG C -0.835 1.346 2.430 1.00 . A A . 47 MET CG 1 1 8 3293 1 1 19 MET H H 2.625 3.451 2.554 1.00 . A A . 47 MET H 1 1 8 3294 1 1 19 MET HA H 0.862 2.308 0.643 1.00 . A A . 47 MET HA 1 1 8 3295 1 1 19 MET HB2 H 1.218 1.533 3.031 1.00 . A A . 47 MET HB2 1 1 8 3296 1 1 19 MET HB3 H 0.186 2.869 3.543 1.00 . A A . 47 MET HB3 1 1 8 3297 1 1 19 MET HE1 H -3.155 0.330 2.631 1.00 . A A . 47 MET HE1 1 1 8 3298 1 1 19 MET HE2 H -3.297 0.274 4.393 1.00 . A A . 47 MET HE2 1 1 8 3299 1 1 19 MET HE3 H -3.045 -1.210 3.477 1.00 . A A . 47 MET HE3 1 1 8 3300 1 1 19 MET HG2 H -1.709 1.982 2.438 1.00 . A A . 47 MET HG2 1 1 8 3301 1 1 19 MET HG3 H -0.731 0.892 1.456 1.00 . A A . 47 MET HG3 1 1 8 3302 1 1 19 MET N N 2.148 3.599 1.712 1.00 . A A . 47 MET N 1 1 8 3303 1 1 19 MET O O -1.213 3.849 0.558 1.00 . A A . 47 MET O 1 1 8 3304 1 1 19 MET SD S -1.019 0.053 3.683 1.00 . A A . 47 MET SD 1 1 8 3305 1 1 20 THR C C -0.942 6.758 0.038 1.00 . A A . 48 THR C 1 1 8 3306 1 1 20 THR CA C -0.968 6.352 1.512 1.00 . A A . 48 THR CA 1 1 8 3307 1 1 20 THR CB C -0.586 7.557 2.372 1.00 . A A . 48 THR CB 1 1 8 3308 1 1 20 THR CG2 C -1.002 7.304 3.822 1.00 . A A . 48 THR CG2 1 1 8 3309 1 1 20 THR H H 0.809 5.404 2.274 1.00 . A A . 48 THR H 1 1 8 3310 1 1 20 THR HA H -1.961 6.022 1.778 1.00 . A A . 48 THR HA 1 1 8 3311 1 1 20 THR HB H -1.095 8.433 2.002 1.00 . A A . 48 THR HB 1 1 8 3312 1 1 20 THR HG1 H 1.004 8.302 1.537 1.00 . A A . 48 THR HG1 1 1 8 3313 1 1 20 THR HG21 H -1.738 8.037 4.118 1.00 . A A . 48 THR HG21 1 1 8 3314 1 1 20 THR HG22 H -0.137 7.383 4.463 1.00 . A A . 48 THR HG22 1 1 8 3315 1 1 20 THR HG23 H -1.425 6.315 3.908 1.00 . A A . 48 THR HG23 1 1 8 3316 1 1 20 THR N N 0.002 5.247 1.739 1.00 . A A . 48 THR N 1 1 8 3317 1 1 20 THR O O -1.965 6.836 -0.613 1.00 . A A . 48 THR O 1 1 8 3318 1 1 20 THR OG1 O 0.819 7.757 2.305 1.00 . A A . 48 THR OG1 1 1 8 3319 1 1 21 LYS C C -0.434 6.362 -2.763 1.00 . A A . 49 LYS C 1 1 8 3320 1 1 21 LYS CA C 0.307 7.403 -1.931 1.00 . A A . 49 LYS CA 1 1 8 3321 1 1 21 LYS CB C 1.774 7.448 -2.365 1.00 . A A . 49 LYS CB 1 1 8 3322 1 1 21 LYS CD C 3.289 9.392 -2.781 1.00 . A A . 49 LYS CD 1 1 8 3323 1 1 21 LYS CE C 2.357 10.179 -3.703 1.00 . A A . 49 LYS CE 1 1 8 3324 1 1 21 LYS CG C 2.460 8.656 -1.725 1.00 . A A . 49 LYS CG 1 1 8 3325 1 1 21 LYS H H 1.037 6.934 0.041 1.00 . A A . 49 LYS H 1 1 8 3326 1 1 21 LYS HA H -0.146 8.372 -2.071 1.00 . A A . 49 LYS HA 1 1 8 3327 1 1 21 LYS HB2 H 2.269 6.540 -2.051 1.00 . A A . 49 LYS HB2 1 1 8 3328 1 1 21 LYS HB3 H 1.827 7.533 -3.440 1.00 . A A . 49 LYS HB3 1 1 8 3329 1 1 21 LYS HD2 H 3.972 10.071 -2.292 1.00 . A A . 49 LYS HD2 1 1 8 3330 1 1 21 LYS HD3 H 3.848 8.675 -3.363 1.00 . A A . 49 LYS HD3 1 1 8 3331 1 1 21 LYS HE2 H 1.991 9.529 -4.485 1.00 . A A . 49 LYS HE2 1 1 8 3332 1 1 21 LYS HE3 H 1.524 10.560 -3.132 1.00 . A A . 49 LYS HE3 1 1 8 3333 1 1 21 LYS HG2 H 1.712 9.324 -1.323 1.00 . A A . 49 LYS HG2 1 1 8 3334 1 1 21 LYS HG3 H 3.109 8.321 -0.929 1.00 . A A . 49 LYS HG3 1 1 8 3335 1 1 21 LYS HZ1 H 2.442 12.083 -4.544 1.00 . A A . 49 LYS HZ1 1 1 8 3336 1 1 21 LYS HZ2 H 3.578 10.996 -5.180 1.00 . A A . 49 LYS HZ2 1 1 8 3337 1 1 21 LYS HZ3 H 3.816 11.664 -3.636 1.00 . A A . 49 LYS HZ3 1 1 8 3338 1 1 21 LYS N N 0.222 7.010 -0.497 1.00 . A A . 49 LYS N 1 1 8 3339 1 1 21 LYS NZ N 3.105 11.315 -4.312 1.00 . A A . 49 LYS NZ 1 1 8 3340 1 1 21 LYS O O -1.112 6.679 -3.719 1.00 . A A . 49 LYS O 1 1 8 3341 1 1 22 HIS C C -2.504 4.352 -3.195 1.00 . A A . 50 HIS C 1 1 8 3342 1 1 22 HIS CA C -1.006 4.047 -3.149 1.00 . A A . 50 HIS CA 1 1 8 3343 1 1 22 HIS CB C -0.777 2.707 -2.446 1.00 . A A . 50 HIS CB 1 1 8 3344 1 1 22 HIS CD2 C -2.409 0.685 -2.050 1.00 . A A . 50 HIS CD2 1 1 8 3345 1 1 22 HIS CE1 C -3.779 1.067 -3.683 1.00 . A A . 50 HIS CE1 1 1 8 3346 1 1 22 HIS CG C -1.953 1.805 -2.698 1.00 . A A . 50 HIS CG 1 1 8 3347 1 1 22 HIS H H 0.241 4.894 -1.617 1.00 . A A . 50 HIS H 1 1 8 3348 1 1 22 HIS HA H -0.614 3.999 -4.154 1.00 . A A . 50 HIS HA 1 1 8 3349 1 1 22 HIS HB2 H 0.122 2.248 -2.830 1.00 . A A . 50 HIS HB2 1 1 8 3350 1 1 22 HIS HB3 H -0.673 2.873 -1.383 1.00 . A A . 50 HIS HB3 1 1 8 3351 1 1 22 HIS HD1 H -2.794 2.751 -4.396 1.00 . A A . 50 HIS HD1 1 1 8 3352 1 1 22 HIS HD2 H -1.945 0.234 -1.186 1.00 . A A . 50 HIS HD2 1 1 8 3353 1 1 22 HIS HE1 H -4.610 0.998 -4.366 1.00 . A A . 50 HIS HE1 1 1 8 3354 1 1 22 HIS N N -0.310 5.120 -2.395 1.00 . A A . 50 HIS N 1 1 8 3355 1 1 22 HIS ND1 N -2.841 2.027 -3.739 1.00 . A A . 50 HIS ND1 1 1 8 3356 1 1 22 HIS NE2 N -3.563 0.220 -2.674 1.00 . A A . 50 HIS NE2 1 1 8 3357 1 1 22 HIS O O -3.142 4.219 -4.221 1.00 . A A . 50 HIS O 1 1 8 3358 1 1 23 LEU C C -4.764 6.353 -2.899 1.00 . A A . 51 LEU C 1 1 8 3359 1 1 23 LEU CA C -4.532 5.072 -2.099 1.00 . A A . 51 LEU CA 1 1 8 3360 1 1 23 LEU CB C -5.027 5.258 -0.665 1.00 . A A . 51 LEU CB 1 1 8 3361 1 1 23 LEU CD1 C -4.538 4.792 1.743 1.00 . A A . 51 LEU CD1 1 1 8 3362 1 1 23 LEU CD2 C -3.928 3.114 -0.003 1.00 . A A . 51 LEU CD2 1 1 8 3363 1 1 23 LEU CG C -4.041 4.609 0.308 1.00 . A A . 51 LEU CG 1 1 8 3364 1 1 23 LEU H H -2.548 4.870 -1.275 1.00 . A A . 51 LEU H 1 1 8 3365 1 1 23 LEU HA H -5.070 4.257 -2.564 1.00 . A A . 51 LEU HA 1 1 8 3366 1 1 23 LEU HB2 H -5.108 6.312 -0.447 1.00 . A A . 51 LEU HB2 1 1 8 3367 1 1 23 LEU HB3 H -5.995 4.792 -0.556 1.00 . A A . 51 LEU HB3 1 1 8 3368 1 1 23 LEU HD11 H -5.614 4.706 1.765 1.00 . A A . 51 LEU HD11 1 1 8 3369 1 1 23 LEU HD12 H -4.248 5.769 2.102 1.00 . A A . 51 LEU HD12 1 1 8 3370 1 1 23 LEU HD13 H -4.102 4.033 2.375 1.00 . A A . 51 LEU HD13 1 1 8 3371 1 1 23 LEU HD21 H -3.846 2.561 0.921 1.00 . A A . 51 LEU HD21 1 1 8 3372 1 1 23 LEU HD22 H -3.052 2.937 -0.609 1.00 . A A . 51 LEU HD22 1 1 8 3373 1 1 23 LEU HD23 H -4.808 2.791 -0.539 1.00 . A A . 51 LEU HD23 1 1 8 3374 1 1 23 LEU HG H -3.073 5.074 0.202 1.00 . A A . 51 LEU HG 1 1 8 3375 1 1 23 LEU N N -3.076 4.762 -2.097 1.00 . A A . 51 LEU N 1 1 8 3376 1 1 23 LEU O O -5.738 6.484 -3.614 1.00 . A A . 51 LEU O 1 1 8 3377 1 1 24 ARG C C -3.667 8.294 -5.027 1.00 . A A . 52 ARG C 1 1 8 3378 1 1 24 ARG CA C -4.027 8.560 -3.564 1.00 . A A . 52 ARG CA 1 1 8 3379 1 1 24 ARG CB C -3.094 9.629 -2.992 1.00 . A A . 52 ARG CB 1 1 8 3380 1 1 24 ARG CD C -4.380 11.255 -1.598 1.00 . A A . 52 ARG CD 1 1 8 3381 1 1 24 ARG CG C -3.533 9.982 -1.570 1.00 . A A . 52 ARG CG 1 1 8 3382 1 1 24 ARG CZ C -4.000 13.625 -1.922 1.00 . A A . 52 ARG CZ 1 1 8 3383 1 1 24 ARG H H -3.082 7.165 -2.224 1.00 . A A . 52 ARG H 1 1 8 3384 1 1 24 ARG HA H -5.051 8.897 -3.498 1.00 . A A . 52 ARG HA 1 1 8 3385 1 1 24 ARG HB2 H -2.081 9.250 -2.974 1.00 . A A . 52 ARG HB2 1 1 8 3386 1 1 24 ARG HB3 H -3.137 10.513 -3.609 1.00 . A A . 52 ARG HB3 1 1 8 3387 1 1 24 ARG HD2 H -5.050 11.222 -2.444 1.00 . A A . 52 ARG HD2 1 1 8 3388 1 1 24 ARG HD3 H -4.955 11.324 -0.686 1.00 . A A . 52 ARG HD3 1 1 8 3389 1 1 24 ARG HE H -2.517 12.336 -1.636 1.00 . A A . 52 ARG HE 1 1 8 3390 1 1 24 ARG HG2 H -4.115 9.169 -1.160 1.00 . A A . 52 ARG HG2 1 1 8 3391 1 1 24 ARG HG3 H -2.661 10.146 -0.954 1.00 . A A . 52 ARG HG3 1 1 8 3392 1 1 24 ARG HH11 H -5.892 12.970 -1.946 1.00 . A A . 52 ARG HH11 1 1 8 3393 1 1 24 ARG HH12 H -5.686 14.672 -2.186 1.00 . A A . 52 ARG HH12 1 1 8 3394 1 1 24 ARG HH21 H -2.228 14.556 -1.948 1.00 . A A . 52 ARG HH21 1 1 8 3395 1 1 24 ARG HH22 H -3.611 15.571 -2.186 1.00 . A A . 52 ARG HH22 1 1 8 3396 1 1 24 ARG N N -3.866 7.294 -2.797 1.00 . A A . 52 ARG N 1 1 8 3397 1 1 24 ARG NE N -3.488 12.442 -1.716 1.00 . A A . 52 ARG NE 1 1 8 3398 1 1 24 ARG NH1 N -5.293 13.766 -2.027 1.00 . A A . 52 ARG NH1 1 1 8 3399 1 1 24 ARG NH2 N -3.219 14.665 -2.027 1.00 . A A . 52 ARG NH2 1 1 8 3400 1 1 24 ARG O O -4.095 8.995 -5.923 1.00 . A A . 52 ARG O 1 1 8 3401 1 1 25 THR C C -3.445 5.890 -7.222 1.00 . A A . 53 THR C 1 1 8 3402 1 1 25 THR CA C -2.492 6.952 -6.670 1.00 . A A . 53 THR CA 1 1 8 3403 1 1 25 THR CB C -1.056 6.414 -6.687 1.00 . A A . 53 THR CB 1 1 8 3404 1 1 25 THR CG2 C -1.074 4.886 -6.597 1.00 . A A . 53 THR CG2 1 1 8 3405 1 1 25 THR H H -2.554 6.726 -4.531 1.00 . A A . 53 THR H 1 1 8 3406 1 1 25 THR HA H -2.551 7.843 -7.279 1.00 . A A . 53 THR HA 1 1 8 3407 1 1 25 THR HB H -0.512 6.812 -5.843 1.00 . A A . 53 THR HB 1 1 8 3408 1 1 25 THR HG1 H -0.486 6.084 -8.516 1.00 . A A . 53 THR HG1 1 1 8 3409 1 1 25 THR HG21 H -1.266 4.471 -7.576 1.00 . A A . 53 THR HG21 1 1 8 3410 1 1 25 THR HG22 H -1.852 4.575 -5.917 1.00 . A A . 53 THR HG22 1 1 8 3411 1 1 25 THR HG23 H -0.120 4.535 -6.238 1.00 . A A . 53 THR HG23 1 1 8 3412 1 1 25 THR N N -2.883 7.279 -5.271 1.00 . A A . 53 THR N 1 1 8 3413 1 1 25 THR O O -3.422 5.567 -8.393 1.00 . A A . 53 THR O 1 1 8 3414 1 1 25 THR OG1 O -0.418 6.811 -7.893 1.00 . A A . 53 THR OG1 1 1 8 3415 1 1 26 HIS C C -5.657 4.599 -8.292 1.00 . A A . 54 HIS C 1 1 8 3416 1 1 26 HIS CA C -5.242 4.302 -6.850 1.00 . A A . 54 HIS CA 1 1 8 3417 1 1 26 HIS CB C -6.480 4.311 -5.949 1.00 . A A . 54 HIS CB 1 1 8 3418 1 1 26 HIS CD2 C -6.843 2.565 -4.016 1.00 . A A . 54 HIS CD2 1 1 8 3419 1 1 26 HIS CE1 C -6.846 0.763 -5.219 1.00 . A A . 54 HIS CE1 1 1 8 3420 1 1 26 HIS CG C -6.657 2.955 -5.320 1.00 . A A . 54 HIS CG 1 1 8 3421 1 1 26 HIS H H -4.283 5.620 -5.443 1.00 . A A . 54 HIS H 1 1 8 3422 1 1 26 HIS HA H -4.769 3.333 -6.804 1.00 . A A . 54 HIS HA 1 1 8 3423 1 1 26 HIS HB2 H -6.355 5.053 -5.174 1.00 . A A . 54 HIS HB2 1 1 8 3424 1 1 26 HIS HB3 H -7.352 4.550 -6.538 1.00 . A A . 54 HIS HB3 1 1 8 3425 1 1 26 HIS HD1 H -6.545 1.724 -7.039 1.00 . A A . 54 HIS HD1 1 1 8 3426 1 1 26 HIS HD2 H -6.887 3.231 -3.168 1.00 . A A . 54 HIS HD2 1 1 8 3427 1 1 26 HIS HE1 H -6.892 -0.273 -5.522 1.00 . A A . 54 HIS HE1 1 1 8 3428 1 1 26 HIS N N -4.284 5.344 -6.383 1.00 . A A . 54 HIS N 1 1 8 3429 1 1 26 HIS ND1 N -6.661 1.789 -6.069 1.00 . A A . 54 HIS ND1 1 1 8 3430 1 1 26 HIS NE2 N -6.961 1.180 -3.955 1.00 . A A . 54 HIS NE2 1 1 8 3431 1 1 26 HIS O O -5.551 3.758 -9.163 1.00 . A A . 54 HIS O 1 1 8 3432 1 1 27 GLY C C -7.014 7.591 -9.985 1.00 . A A . 55 GLY C 1 1 8 3433 1 1 27 GLY CA C -6.550 6.134 -9.939 1.00 . A A . 55 GLY CA 1 1 8 3434 1 1 27 GLY H H -6.207 6.452 -7.836 1.00 . A A . 55 GLY H 1 1 8 3435 1 1 27 GLY HA2 H -5.717 5.997 -10.612 1.00 . A A . 55 GLY HA2 1 1 8 3436 1 1 27 GLY HA3 H -7.364 5.491 -10.240 1.00 . A A . 55 GLY HA3 1 1 8 3437 1 1 27 GLY N N -6.129 5.787 -8.552 1.00 . A A . 55 GLY N 1 1 8 3438 1 1 27 GLY O O -6.299 8.436 -9.472 1.00 . A A . 55 GLY O 1 1 8 3439 1 1 27 GLY OXT O -8.075 7.837 -10.533 1.00 . A A . 55 GLY OXT 1 1 8 3440 2 2 1 ZN ZN ZN -5.504 -0.082 -3.255 1.00 . B A . 84 ZN ZN 1 1 9 3441 1 1 1 GLU C C 6.796 -8.116 8.602 1.00 . A A . 29 GLU C 1 1 9 3442 1 1 1 GLU CA C 7.018 -7.452 9.962 1.00 . A A . 29 GLU CA 1 1 9 3443 1 1 1 GLU CB C 6.643 -8.431 11.076 1.00 . A A . 29 GLU CB 1 1 9 3444 1 1 1 GLU CD C 7.331 -6.484 12.481 1.00 . A A . 29 GLU CD 1 1 9 3445 1 1 1 GLU CG C 7.326 -8.010 12.378 1.00 . A A . 29 GLU CG 1 1 9 3446 1 1 1 GLU H1 H 6.486 -5.655 10.868 1.00 . A A . 29 GLU H1 1 1 9 3447 1 1 1 GLU H2 H 5.177 -6.512 10.205 1.00 . A A . 29 GLU H2 1 1 9 3448 1 1 1 GLU H3 H 6.253 -5.677 9.188 1.00 . A A . 29 GLU H3 1 1 9 3449 1 1 1 GLU HA H 8.058 -7.177 10.061 1.00 . A A . 29 GLU HA 1 1 9 3450 1 1 1 GLU HB2 H 5.571 -8.424 11.213 1.00 . A A . 29 GLU HB2 1 1 9 3451 1 1 1 GLU HB3 H 6.966 -9.425 10.807 1.00 . A A . 29 GLU HB3 1 1 9 3452 1 1 1 GLU HG2 H 6.789 -8.427 13.217 1.00 . A A . 29 GLU HG2 1 1 9 3453 1 1 1 GLU HG3 H 8.342 -8.373 12.384 1.00 . A A . 29 GLU HG3 1 1 9 3454 1 1 1 GLU N N 6.169 -6.232 10.063 1.00 . A A . 29 GLU N 1 1 9 3455 1 1 1 GLU O O 7.680 -8.747 8.056 1.00 . A A . 29 GLU O 1 1 9 3456 1 1 1 GLU OE1 O 6.356 -5.939 12.974 1.00 . A A . 29 GLU OE1 1 1 9 3457 1 1 1 GLU OE2 O 8.310 -5.885 12.068 1.00 . A A . 29 GLU OE2 1 1 9 3458 1 1 2 LYS C C 4.704 -7.563 5.800 1.00 . A A . 30 LYS C 1 1 9 3459 1 1 2 LYS CA C 5.343 -8.602 6.726 1.00 . A A . 30 LYS CA 1 1 9 3460 1 1 2 LYS CB C 4.383 -9.779 6.908 1.00 . A A . 30 LYS CB 1 1 9 3461 1 1 2 LYS CD C 4.335 -10.897 9.144 1.00 . A A . 30 LYS CD 1 1 9 3462 1 1 2 LYS CE C 2.989 -11.610 8.993 1.00 . A A . 30 LYS CE 1 1 9 3463 1 1 2 LYS CG C 5.042 -10.845 7.787 1.00 . A A . 30 LYS CG 1 1 9 3464 1 1 2 LYS H H 4.924 -7.465 8.508 1.00 . A A . 30 LYS H 1 1 9 3465 1 1 2 LYS HA H 6.266 -8.953 6.290 1.00 . A A . 30 LYS HA 1 1 9 3466 1 1 2 LYS HB2 H 3.474 -9.434 7.380 1.00 . A A . 30 LYS HB2 1 1 9 3467 1 1 2 LYS HB3 H 4.149 -10.206 5.944 1.00 . A A . 30 LYS HB3 1 1 9 3468 1 1 2 LYS HD2 H 4.951 -11.435 9.849 1.00 . A A . 30 LYS HD2 1 1 9 3469 1 1 2 LYS HD3 H 4.170 -9.893 9.502 1.00 . A A . 30 LYS HD3 1 1 9 3470 1 1 2 LYS HE2 H 2.855 -11.914 7.965 1.00 . A A . 30 LYS HE2 1 1 9 3471 1 1 2 LYS HE3 H 2.969 -12.481 9.630 1.00 . A A . 30 LYS HE3 1 1 9 3472 1 1 2 LYS HG2 H 4.968 -11.808 7.303 1.00 . A A . 30 LYS HG2 1 1 9 3473 1 1 2 LYS HG3 H 6.082 -10.596 7.935 1.00 . A A . 30 LYS HG3 1 1 9 3474 1 1 2 LYS HZ1 H 1.242 -10.554 8.582 1.00 . A A . 30 LYS HZ1 1 1 9 3475 1 1 2 LYS HZ2 H 2.290 -9.762 9.653 1.00 . A A . 30 LYS HZ2 1 1 9 3476 1 1 2 LYS HZ3 H 1.368 -11.085 10.190 1.00 . A A . 30 LYS HZ3 1 1 9 3477 1 1 2 LYS N N 5.622 -7.979 8.050 1.00 . A A . 30 LYS N 1 1 9 3478 1 1 2 LYS NZ N 1.890 -10.683 9.384 1.00 . A A . 30 LYS NZ 1 1 9 3479 1 1 2 LYS O O 4.006 -6.672 6.241 1.00 . A A . 30 LYS O 1 1 9 3480 1 1 3 PRO C C 2.864 -6.874 3.382 1.00 . A A . 31 PRO C 1 1 9 3481 1 1 3 PRO CA C 4.384 -6.747 3.505 1.00 . A A . 31 PRO CA 1 1 9 3482 1 1 3 PRO CB C 5.066 -7.163 2.199 1.00 . A A . 31 PRO CB 1 1 9 3483 1 1 3 PRO CD C 5.772 -8.730 3.909 1.00 . A A . 31 PRO CD 1 1 9 3484 1 1 3 PRO CG C 5.520 -8.570 2.410 1.00 . A A . 31 PRO CG 1 1 9 3485 1 1 3 PRO HA H 4.655 -5.731 3.745 1.00 . A A . 31 PRO HA 1 1 9 3486 1 1 3 PRO HB2 H 4.362 -7.114 1.379 1.00 . A A . 31 PRO HB2 1 1 9 3487 1 1 3 PRO HB3 H 5.916 -6.528 2.001 1.00 . A A . 31 PRO HB3 1 1 9 3488 1 1 3 PRO HD2 H 5.459 -9.711 4.242 1.00 . A A . 31 PRO HD2 1 1 9 3489 1 1 3 PRO HD3 H 6.813 -8.564 4.139 1.00 . A A . 31 PRO HD3 1 1 9 3490 1 1 3 PRO HG2 H 4.750 -9.258 2.085 1.00 . A A . 31 PRO HG2 1 1 9 3491 1 1 3 PRO HG3 H 6.434 -8.750 1.868 1.00 . A A . 31 PRO HG3 1 1 9 3492 1 1 3 PRO N N 4.942 -7.684 4.522 1.00 . A A . 31 PRO N 1 1 9 3493 1 1 3 PRO O O 2.301 -7.933 3.581 1.00 . A A . 31 PRO O 1 1 9 3494 1 1 4 PHE C C 0.294 -5.382 1.535 1.00 . A A . 32 PHE C 1 1 9 3495 1 1 4 PHE CA C 0.710 -5.867 2.926 1.00 . A A . 32 PHE CA 1 1 9 3496 1 1 4 PHE CB C 0.066 -4.973 3.988 1.00 . A A . 32 PHE CB 1 1 9 3497 1 1 4 PHE CD1 C -0.810 -6.898 5.359 1.00 . A A . 32 PHE CD1 1 1 9 3498 1 1 4 PHE CD2 C 0.633 -5.268 6.426 1.00 . A A . 32 PHE CD2 1 1 9 3499 1 1 4 PHE CE1 C -0.908 -7.600 6.565 1.00 . A A . 32 PHE CE1 1 1 9 3500 1 1 4 PHE CE2 C 0.535 -5.970 7.633 1.00 . A A . 32 PHE CE2 1 1 9 3501 1 1 4 PHE CG C -0.039 -5.731 5.289 1.00 . A A . 32 PHE CG 1 1 9 3502 1 1 4 PHE CZ C -0.236 -7.137 7.702 1.00 . A A . 32 PHE CZ 1 1 9 3503 1 1 4 PHE H H 2.664 -4.957 2.901 1.00 . A A . 32 PHE H 1 1 9 3504 1 1 4 PHE HA H 0.380 -6.885 3.066 1.00 . A A . 32 PHE HA 1 1 9 3505 1 1 4 PHE HB2 H 0.673 -4.091 4.133 1.00 . A A . 32 PHE HB2 1 1 9 3506 1 1 4 PHE HB3 H -0.921 -4.681 3.662 1.00 . A A . 32 PHE HB3 1 1 9 3507 1 1 4 PHE HD1 H -1.329 -7.256 4.481 1.00 . A A . 32 PHE HD1 1 1 9 3508 1 1 4 PHE HD2 H 1.227 -4.367 6.371 1.00 . A A . 32 PHE HD2 1 1 9 3509 1 1 4 PHE HE1 H -1.503 -8.501 6.620 1.00 . A A . 32 PHE HE1 1 1 9 3510 1 1 4 PHE HE2 H 1.054 -5.613 8.509 1.00 . A A . 32 PHE HE2 1 1 9 3511 1 1 4 PHE HZ H -0.311 -7.679 8.633 1.00 . A A . 32 PHE HZ 1 1 9 3512 1 1 4 PHE N N 2.193 -5.802 3.056 1.00 . A A . 32 PHE N 1 1 9 3513 1 1 4 PHE O O 0.764 -4.371 1.052 1.00 . A A . 32 PHE O 1 1 9 3514 1 1 5 SER C C -2.295 -4.809 -0.331 1.00 . A A . 33 SER C 1 1 9 3515 1 1 5 SER CA C -1.041 -5.674 -0.465 1.00 . A A . 33 SER CA 1 1 9 3516 1 1 5 SER CB C -1.360 -6.910 -1.305 1.00 . A A . 33 SER CB 1 1 9 3517 1 1 5 SER H H -0.959 -6.905 1.300 1.00 . A A . 33 SER H 1 1 9 3518 1 1 5 SER HA H -0.260 -5.104 -0.944 1.00 . A A . 33 SER HA 1 1 9 3519 1 1 5 SER HB2 H -1.163 -6.703 -2.344 1.00 . A A . 33 SER HB2 1 1 9 3520 1 1 5 SER HB3 H -0.740 -7.735 -0.981 1.00 . A A . 33 SER HB3 1 1 9 3521 1 1 5 SER HG H -3.214 -6.882 -1.896 1.00 . A A . 33 SER HG 1 1 9 3522 1 1 5 SER N N -0.589 -6.095 0.890 1.00 . A A . 33 SER N 1 1 9 3523 1 1 5 SER O O -2.919 -4.766 0.711 1.00 . A A . 33 SER O 1 1 9 3524 1 1 5 SER OG O -2.734 -7.242 -1.147 1.00 . A A . 33 SER OG 1 1 9 3525 1 1 6 CYS C C -5.137 -4.137 -1.319 1.00 . A A . 34 CYS C 1 1 9 3526 1 1 6 CYS CA C -3.885 -3.259 -1.287 1.00 . A A . 34 CYS CA 1 1 9 3527 1 1 6 CYS CB C -3.914 -2.292 -2.471 1.00 . A A . 34 CYS CB 1 1 9 3528 1 1 6 CYS H H -2.155 -4.161 -2.204 1.00 . A A . 34 CYS H 1 1 9 3529 1 1 6 CYS HA H -3.864 -2.696 -0.365 1.00 . A A . 34 CYS HA 1 1 9 3530 1 1 6 CYS HB2 H -3.090 -1.597 -2.390 1.00 . A A . 34 CYS HB2 1 1 9 3531 1 1 6 CYS HB3 H -3.828 -2.848 -3.393 1.00 . A A . 34 CYS HB3 1 1 9 3532 1 1 6 CYS N N -2.670 -4.118 -1.370 1.00 . A A . 34 CYS N 1 1 9 3533 1 1 6 CYS O O -5.057 -5.347 -1.396 1.00 . A A . 34 CYS O 1 1 9 3534 1 1 6 CYS SG S -5.477 -1.381 -2.458 1.00 . A A . 34 CYS SG 1 1 9 3535 1 1 7 SER C C -7.941 -4.636 -2.734 1.00 . A A . 35 SER C 1 1 9 3536 1 1 7 SER CA C -7.550 -4.333 -1.284 1.00 . A A . 35 SER CA 1 1 9 3537 1 1 7 SER CB C -8.670 -3.539 -0.613 1.00 . A A . 35 SER CB 1 1 9 3538 1 1 7 SER H H -6.336 -2.560 -1.195 1.00 . A A . 35 SER H 1 1 9 3539 1 1 7 SER HA H -7.399 -5.261 -0.752 1.00 . A A . 35 SER HA 1 1 9 3540 1 1 7 SER HB2 H -9.203 -4.173 0.076 1.00 . A A . 35 SER HB2 1 1 9 3541 1 1 7 SER HB3 H -8.243 -2.703 -0.073 1.00 . A A . 35 SER HB3 1 1 9 3542 1 1 7 SER HG H -9.866 -2.191 -1.347 1.00 . A A . 35 SER HG 1 1 9 3543 1 1 7 SER N N -6.293 -3.536 -1.259 1.00 . A A . 35 SER N 1 1 9 3544 1 1 7 SER O O -8.315 -5.744 -3.066 1.00 . A A . 35 SER O 1 1 9 3545 1 1 7 SER OG O -9.570 -3.067 -1.606 1.00 . A A . 35 SER OG 1 1 9 3546 1 1 8 LEU C C -7.220 -3.241 -5.953 1.00 . A A . 36 LEU C 1 1 9 3547 1 1 8 LEU CA C -8.239 -3.903 -5.023 1.00 . A A . 36 LEU CA 1 1 9 3548 1 1 8 LEU CB C -9.626 -3.315 -5.291 1.00 . A A . 36 LEU CB 1 1 9 3549 1 1 8 LEU CD1 C -11.709 -3.690 -6.616 1.00 . A A . 36 LEU CD1 1 1 9 3550 1 1 8 LEU CD2 C -9.543 -3.264 -7.786 1.00 . A A . 36 LEU CD2 1 1 9 3551 1 1 8 LEU CG C -10.198 -3.924 -6.571 1.00 . A A . 36 LEU CG 1 1 9 3552 1 1 8 LEU H H -7.564 -2.773 -3.316 1.00 . A A . 36 LEU H 1 1 9 3553 1 1 8 LEU HA H -8.259 -4.966 -5.213 1.00 . A A . 36 LEU HA 1 1 9 3554 1 1 8 LEU HB2 H -10.279 -3.540 -4.460 1.00 . A A . 36 LEU HB2 1 1 9 3555 1 1 8 LEU HB3 H -9.546 -2.244 -5.408 1.00 . A A . 36 LEU HB3 1 1 9 3556 1 1 8 LEU HD11 H -12.078 -3.914 -7.606 1.00 . A A . 36 LEU HD11 1 1 9 3557 1 1 8 LEU HD12 H -11.920 -2.657 -6.378 1.00 . A A . 36 LEU HD12 1 1 9 3558 1 1 8 LEU HD13 H -12.194 -4.333 -5.897 1.00 . A A . 36 LEU HD13 1 1 9 3559 1 1 8 LEU HD21 H -9.425 -2.207 -7.602 1.00 . A A . 36 LEU HD21 1 1 9 3560 1 1 8 LEU HD22 H -10.167 -3.411 -8.655 1.00 . A A . 36 LEU HD22 1 1 9 3561 1 1 8 LEU HD23 H -8.575 -3.709 -7.959 1.00 . A A . 36 LEU HD23 1 1 9 3562 1 1 8 LEU HG H -9.999 -4.986 -6.584 1.00 . A A . 36 LEU HG 1 1 9 3563 1 1 8 LEU N N -7.863 -3.662 -3.601 1.00 . A A . 36 LEU N 1 1 9 3564 1 1 8 LEU O O -7.351 -2.088 -6.312 1.00 . A A . 36 LEU O 1 1 9 3565 1 1 9 CYS C C -3.849 -4.115 -7.041 1.00 . A A . 37 CYS C 1 1 9 3566 1 1 9 CYS CA C -5.181 -3.397 -7.269 1.00 . A A . 37 CYS CA 1 1 9 3567 1 1 9 CYS CB C -5.003 -1.901 -6.995 1.00 . A A . 37 CYS CB 1 1 9 3568 1 1 9 CYS H H -6.135 -4.898 -6.054 1.00 . A A . 37 CYS H 1 1 9 3569 1 1 9 CYS HA H -5.497 -3.539 -8.291 1.00 . A A . 37 CYS HA 1 1 9 3570 1 1 9 CYS HB2 H -4.027 -1.588 -7.337 1.00 . A A . 37 CYS HB2 1 1 9 3571 1 1 9 CYS HB3 H -5.763 -1.344 -7.523 1.00 . A A . 37 CYS HB3 1 1 9 3572 1 1 9 CYS N N -6.212 -3.968 -6.352 1.00 . A A . 37 CYS N 1 1 9 3573 1 1 9 CYS O O -3.471 -4.395 -5.921 1.00 . A A . 37 CYS O 1 1 9 3574 1 1 9 CYS SG S -5.145 -1.584 -5.220 1.00 . A A . 37 CYS SG 1 1 9 3575 1 1 10 PRO C C -0.715 -4.191 -7.496 1.00 . A A . 38 PRO C 1 1 9 3576 1 1 10 PRO CA C -1.825 -5.105 -8.023 1.00 . A A . 38 PRO CA 1 1 9 3577 1 1 10 PRO CB C -1.540 -5.509 -9.470 1.00 . A A . 38 PRO CB 1 1 9 3578 1 1 10 PRO CD C -3.522 -4.107 -9.490 1.00 . A A . 38 PRO CD 1 1 9 3579 1 1 10 PRO CG C -2.308 -4.543 -10.311 1.00 . A A . 38 PRO CG 1 1 9 3580 1 1 10 PRO HA H -1.905 -5.988 -7.412 1.00 . A A . 38 PRO HA 1 1 9 3581 1 1 10 PRO HB2 H -0.481 -5.431 -9.677 1.00 . A A . 38 PRO HB2 1 1 9 3582 1 1 10 PRO HB3 H -1.887 -6.514 -9.654 1.00 . A A . 38 PRO HB3 1 1 9 3583 1 1 10 PRO HD2 H -3.703 -3.048 -9.616 1.00 . A A . 38 PRO HD2 1 1 9 3584 1 1 10 PRO HD3 H -4.393 -4.679 -9.770 1.00 . A A . 38 PRO HD3 1 1 9 3585 1 1 10 PRO HG2 H -1.689 -3.686 -10.547 1.00 . A A . 38 PRO HG2 1 1 9 3586 1 1 10 PRO HG3 H -2.637 -5.023 -11.219 1.00 . A A . 38 PRO HG3 1 1 9 3587 1 1 10 PRO N N -3.142 -4.408 -8.100 1.00 . A A . 38 PRO N 1 1 9 3588 1 1 10 PRO O O 0.118 -3.718 -8.243 1.00 . A A . 38 PRO O 1 1 9 3589 1 1 11 GLN C C 0.648 -3.463 -4.201 1.00 . A A . 39 GLN C 1 1 9 3590 1 1 11 GLN CA C 0.364 -3.056 -5.648 1.00 . A A . 39 GLN CA 1 1 9 3591 1 1 11 GLN CB C -0.108 -1.602 -5.688 1.00 . A A . 39 GLN CB 1 1 9 3592 1 1 11 GLN CD C -1.815 -0.050 -4.731 1.00 . A A . 39 GLN CD 1 1 9 3593 1 1 11 GLN CG C -1.008 -1.325 -4.482 1.00 . A A . 39 GLN CG 1 1 9 3594 1 1 11 GLN H H -1.374 -4.329 -5.626 1.00 . A A . 39 GLN H 1 1 9 3595 1 1 11 GLN HA H 1.266 -3.157 -6.233 1.00 . A A . 39 GLN HA 1 1 9 3596 1 1 11 GLN HB2 H 0.748 -0.944 -5.659 1.00 . A A . 39 GLN HB2 1 1 9 3597 1 1 11 GLN HB3 H -0.666 -1.429 -6.597 1.00 . A A . 39 GLN HB3 1 1 9 3598 1 1 11 GLN HE21 H -0.213 1.122 -4.789 1.00 . A A . 39 GLN HE21 1 1 9 3599 1 1 11 GLN HE22 H -1.699 1.912 -5.014 1.00 . A A . 39 GLN HE22 1 1 9 3600 1 1 11 GLN HG2 H -1.682 -2.157 -4.338 1.00 . A A . 39 GLN HG2 1 1 9 3601 1 1 11 GLN HG3 H -0.398 -1.197 -3.600 1.00 . A A . 39 GLN HG3 1 1 9 3602 1 1 11 GLN N N -0.694 -3.939 -6.215 1.00 . A A . 39 GLN N 1 1 9 3603 1 1 11 GLN NE2 N -1.191 1.089 -4.855 1.00 . A A . 39 GLN NE2 1 1 9 3604 1 1 11 GLN O O -0.249 -3.790 -3.450 1.00 . A A . 39 GLN O 1 1 9 3605 1 1 11 GLN OE1 O -3.027 -0.091 -4.814 1.00 . A A . 39 GLN OE1 1 1 9 3606 1 1 12 ARG C C 3.101 -2.740 -1.773 1.00 . A A . 40 ARG C 1 1 9 3607 1 1 12 ARG CA C 2.232 -3.829 -2.405 1.00 . A A . 40 ARG CA 1 1 9 3608 1 1 12 ARG CB C 2.998 -5.153 -2.413 1.00 . A A . 40 ARG CB 1 1 9 3609 1 1 12 ARG CD C 4.695 -4.249 -4.009 1.00 . A A . 40 ARG CD 1 1 9 3610 1 1 12 ARG CG C 3.661 -5.353 -3.778 1.00 . A A . 40 ARG CG 1 1 9 3611 1 1 12 ARG CZ C 6.669 -5.651 -3.957 1.00 . A A . 40 ARG CZ 1 1 9 3612 1 1 12 ARG H H 2.600 -3.177 -4.425 1.00 . A A . 40 ARG H 1 1 9 3613 1 1 12 ARG HA H 1.325 -3.942 -1.832 1.00 . A A . 40 ARG HA 1 1 9 3614 1 1 12 ARG HB2 H 3.756 -5.135 -1.643 1.00 . A A . 40 ARG HB2 1 1 9 3615 1 1 12 ARG HB3 H 2.314 -5.967 -2.226 1.00 . A A . 40 ARG HB3 1 1 9 3616 1 1 12 ARG HD2 H 4.278 -3.495 -4.662 1.00 . A A . 40 ARG HD2 1 1 9 3617 1 1 12 ARG HD3 H 4.958 -3.799 -3.063 1.00 . A A . 40 ARG HD3 1 1 9 3618 1 1 12 ARG HE H 6.146 -4.603 -5.561 1.00 . A A . 40 ARG HE 1 1 9 3619 1 1 12 ARG HG2 H 4.150 -6.315 -3.803 1.00 . A A . 40 ARG HG2 1 1 9 3620 1 1 12 ARG HG3 H 2.911 -5.308 -4.552 1.00 . A A . 40 ARG HG3 1 1 9 3621 1 1 12 ARG HH11 H 5.539 -5.565 -2.307 1.00 . A A . 40 ARG HH11 1 1 9 3622 1 1 12 ARG HH12 H 6.937 -6.583 -2.206 1.00 . A A . 40 ARG HH12 1 1 9 3623 1 1 12 ARG HH21 H 7.975 -5.927 -5.449 1.00 . A A . 40 ARG HH21 1 1 9 3624 1 1 12 ARG HH22 H 8.316 -6.788 -3.986 1.00 . A A . 40 ARG HH22 1 1 9 3625 1 1 12 ARG N N 1.892 -3.444 -3.802 1.00 . A A . 40 ARG N 1 1 9 3626 1 1 12 ARG NE N 5.913 -4.833 -4.638 1.00 . A A . 40 ARG NE 1 1 9 3627 1 1 12 ARG NH1 N 6.357 -5.957 -2.727 1.00 . A A . 40 ARG NH1 1 1 9 3628 1 1 12 ARG NH2 N 7.737 -6.162 -4.507 1.00 . A A . 40 ARG NH2 1 1 9 3629 1 1 12 ARG O O 3.799 -2.016 -2.454 1.00 . A A . 40 ARG O 1 1 9 3630 1 1 13 SER C C 4.512 -2.161 1.468 1.00 . A A . 41 SER C 1 1 9 3631 1 1 13 SER CA C 3.888 -1.576 0.200 1.00 . A A . 41 SER CA 1 1 9 3632 1 1 13 SER CB C 3.002 -0.386 0.570 1.00 . A A . 41 SER CB 1 1 9 3633 1 1 13 SER H H 2.494 -3.212 0.058 1.00 . A A . 41 SER H 1 1 9 3634 1 1 13 SER HA H 4.671 -1.248 -0.468 1.00 . A A . 41 SER HA 1 1 9 3635 1 1 13 SER HB2 H 2.903 -0.327 1.641 1.00 . A A . 41 SER HB2 1 1 9 3636 1 1 13 SER HB3 H 3.454 0.526 0.201 1.00 . A A . 41 SER HB3 1 1 9 3637 1 1 13 SER HG H 1.384 0.305 -0.261 1.00 . A A . 41 SER HG 1 1 9 3638 1 1 13 SER N N 3.064 -2.617 -0.474 1.00 . A A . 41 SER N 1 1 9 3639 1 1 13 SER O O 4.085 -3.183 1.968 1.00 . A A . 41 SER O 1 1 9 3640 1 1 13 SER OG O 1.716 -0.561 -0.010 1.00 . A A . 41 SER OG 1 1 9 3641 1 1 14 ARG C C 5.713 -1.212 4.433 1.00 . A A . 42 ARG C 1 1 9 3642 1 1 14 ARG CA C 6.170 -2.040 3.232 1.00 . A A . 42 ARG CA 1 1 9 3643 1 1 14 ARG CB C 7.691 -1.936 3.092 1.00 . A A . 42 ARG CB 1 1 9 3644 1 1 14 ARG CD C 9.519 -3.100 1.850 1.00 . A A . 42 ARG CD 1 1 9 3645 1 1 14 ARG CG C 8.263 -3.299 2.698 1.00 . A A . 42 ARG CG 1 1 9 3646 1 1 14 ARG CZ C 11.220 -2.166 3.302 1.00 . A A . 42 ARG CZ 1 1 9 3647 1 1 14 ARG H H 5.850 -0.697 1.578 1.00 . A A . 42 ARG H 1 1 9 3648 1 1 14 ARG HA H 5.892 -3.073 3.378 1.00 . A A . 42 ARG HA 1 1 9 3649 1 1 14 ARG HB2 H 7.932 -1.210 2.330 1.00 . A A . 42 ARG HB2 1 1 9 3650 1 1 14 ARG HB3 H 8.118 -1.626 4.033 1.00 . A A . 42 ARG HB3 1 1 9 3651 1 1 14 ARG HD2 H 10.119 -3.997 1.879 1.00 . A A . 42 ARG HD2 1 1 9 3652 1 1 14 ARG HD3 H 9.235 -2.888 0.829 1.00 . A A . 42 ARG HD3 1 1 9 3653 1 1 14 ARG HE H 10.141 -1.048 2.066 1.00 . A A . 42 ARG HE 1 1 9 3654 1 1 14 ARG HG2 H 8.513 -3.855 3.591 1.00 . A A . 42 ARG HG2 1 1 9 3655 1 1 14 ARG HG3 H 7.528 -3.847 2.127 1.00 . A A . 42 ARG HG3 1 1 9 3656 1 1 14 ARG HH11 H 10.912 -4.143 3.373 1.00 . A A . 42 ARG HH11 1 1 9 3657 1 1 14 ARG HH12 H 12.142 -3.538 4.432 1.00 . A A . 42 ARG HH12 1 1 9 3658 1 1 14 ARG HH21 H 11.739 -0.238 3.445 1.00 . A A . 42 ARG HH21 1 1 9 3659 1 1 14 ARG HH22 H 12.610 -1.327 4.473 1.00 . A A . 42 ARG HH22 1 1 9 3660 1 1 14 ARG N N 5.521 -1.521 1.995 1.00 . A A . 42 ARG N 1 1 9 3661 1 1 14 ARG NE N 10.307 -1.956 2.392 1.00 . A A . 42 ARG NE 1 1 9 3662 1 1 14 ARG NH1 N 11.442 -3.377 3.736 1.00 . A A . 42 ARG NH1 1 1 9 3663 1 1 14 ARG NH2 N 11.910 -1.166 3.777 1.00 . A A . 42 ARG NH2 1 1 9 3664 1 1 14 ARG O O 5.547 -1.720 5.524 1.00 . A A . 42 ARG O 1 1 9 3665 1 1 15 ASP C C 3.765 1.640 4.984 1.00 . A A . 43 ASP C 1 1 9 3666 1 1 15 ASP CA C 5.060 0.925 5.371 1.00 . A A . 43 ASP CA 1 1 9 3667 1 1 15 ASP CB C 6.143 1.964 5.674 1.00 . A A . 43 ASP CB 1 1 9 3668 1 1 15 ASP CG C 5.966 2.483 7.102 1.00 . A A . 43 ASP CG 1 1 9 3669 1 1 15 ASP H H 5.646 0.452 3.353 1.00 . A A . 43 ASP H 1 1 9 3670 1 1 15 ASP HA H 4.890 0.315 6.246 1.00 . A A . 43 ASP HA 1 1 9 3671 1 1 15 ASP HB2 H 7.117 1.507 5.572 1.00 . A A . 43 ASP HB2 1 1 9 3672 1 1 15 ASP HB3 H 6.057 2.786 4.980 1.00 . A A . 43 ASP HB3 1 1 9 3673 1 1 15 ASP N N 5.507 0.062 4.241 1.00 . A A . 43 ASP N 1 1 9 3674 1 1 15 ASP O O 3.596 2.072 3.862 1.00 . A A . 43 ASP O 1 1 9 3675 1 1 15 ASP OD1 O 5.987 1.673 8.013 1.00 . A A . 43 ASP OD1 1 1 9 3676 1 1 15 ASP OD2 O 5.815 3.684 7.259 1.00 . A A . 43 ASP OD2 1 1 9 3677 1 1 16 PHE C C 1.868 3.771 4.858 1.00 . A A . 44 PHE C 1 1 9 3678 1 1 16 PHE CA C 1.566 2.457 5.580 1.00 . A A . 44 PHE CA 1 1 9 3679 1 1 16 PHE CB C 0.797 2.748 6.870 1.00 . A A . 44 PHE CB 1 1 9 3680 1 1 16 PHE CD1 C -1.400 1.952 5.925 1.00 . A A . 44 PHE CD1 1 1 9 3681 1 1 16 PHE CD2 C -1.277 4.181 6.869 1.00 . A A . 44 PHE CD2 1 1 9 3682 1 1 16 PHE CE1 C -2.754 2.153 5.625 1.00 . A A . 44 PHE CE1 1 1 9 3683 1 1 16 PHE CE2 C -2.630 4.384 6.569 1.00 . A A . 44 PHE CE2 1 1 9 3684 1 1 16 PHE CG C -0.662 2.965 6.548 1.00 . A A . 44 PHE CG 1 1 9 3685 1 1 16 PHE CZ C -3.368 3.369 5.947 1.00 . A A . 44 PHE CZ 1 1 9 3686 1 1 16 PHE H H 3.000 1.413 6.804 1.00 . A A . 44 PHE H 1 1 9 3687 1 1 16 PHE HA H 0.970 1.824 4.940 1.00 . A A . 44 PHE HA 1 1 9 3688 1 1 16 PHE HB2 H 0.897 1.910 7.545 1.00 . A A . 44 PHE HB2 1 1 9 3689 1 1 16 PHE HB3 H 1.197 3.636 7.335 1.00 . A A . 44 PHE HB3 1 1 9 3690 1 1 16 PHE HD1 H -0.928 1.013 5.676 1.00 . A A . 44 PHE HD1 1 1 9 3691 1 1 16 PHE HD2 H -0.708 4.964 7.349 1.00 . A A . 44 PHE HD2 1 1 9 3692 1 1 16 PHE HE1 H -3.323 1.372 5.145 1.00 . A A . 44 PHE HE1 1 1 9 3693 1 1 16 PHE HE2 H -3.103 5.321 6.818 1.00 . A A . 44 PHE HE2 1 1 9 3694 1 1 16 PHE HZ H -4.411 3.526 5.716 1.00 . A A . 44 PHE HZ 1 1 9 3695 1 1 16 PHE N N 2.847 1.768 5.903 1.00 . A A . 44 PHE N 1 1 9 3696 1 1 16 PHE O O 1.129 4.199 3.993 1.00 . A A . 44 PHE O 1 1 9 3697 1 1 17 SER C C 3.217 5.513 3.019 1.00 . A A . 45 SER C 1 1 9 3698 1 1 17 SER CA C 3.298 5.698 4.534 1.00 . A A . 45 SER CA 1 1 9 3699 1 1 17 SER CB C 4.719 6.107 4.923 1.00 . A A . 45 SER CB 1 1 9 3700 1 1 17 SER H H 3.533 4.051 5.902 1.00 . A A . 45 SER H 1 1 9 3701 1 1 17 SER HA H 2.603 6.466 4.842 1.00 . A A . 45 SER HA 1 1 9 3702 1 1 17 SER HB2 H 5.008 6.983 4.368 1.00 . A A . 45 SER HB2 1 1 9 3703 1 1 17 SER HB3 H 4.752 6.326 5.981 1.00 . A A . 45 SER HB3 1 1 9 3704 1 1 17 SER HG H 5.984 5.208 3.748 1.00 . A A . 45 SER HG 1 1 9 3705 1 1 17 SER N N 2.949 4.414 5.204 1.00 . A A . 45 SER N 1 1 9 3706 1 1 17 SER O O 2.513 6.226 2.332 1.00 . A A . 45 SER O 1 1 9 3707 1 1 17 SER OG O 5.612 5.044 4.618 1.00 . A A . 45 SER OG 1 1 9 3708 1 1 18 ALA C C 2.538 3.712 0.647 1.00 . A A . 46 ALA C 1 1 9 3709 1 1 18 ALA CA C 3.891 4.319 1.023 1.00 . A A . 46 ALA CA 1 1 9 3710 1 1 18 ALA CB C 5.011 3.352 0.633 1.00 . A A . 46 ALA CB 1 1 9 3711 1 1 18 ALA H H 4.488 3.989 3.066 1.00 . A A . 46 ALA H 1 1 9 3712 1 1 18 ALA HA H 4.023 5.255 0.502 1.00 . A A . 46 ALA HA 1 1 9 3713 1 1 18 ALA HB1 H 5.266 2.735 1.482 1.00 . A A . 46 ALA HB1 1 1 9 3714 1 1 18 ALA HB2 H 5.879 3.914 0.323 1.00 . A A . 46 ALA HB2 1 1 9 3715 1 1 18 ALA HB3 H 4.678 2.724 -0.180 1.00 . A A . 46 ALA HB3 1 1 9 3716 1 1 18 ALA N N 3.930 4.555 2.493 1.00 . A A . 46 ALA N 1 1 9 3717 1 1 18 ALA O O 2.049 3.892 -0.451 1.00 . A A . 46 ALA O 1 1 9 3718 1 1 19 MET C C -0.461 3.475 1.205 1.00 . A A . 47 MET C 1 1 9 3719 1 1 19 MET CA C 0.606 2.381 1.248 1.00 . A A . 47 MET CA 1 1 9 3720 1 1 19 MET CB C 0.252 1.367 2.336 1.00 . A A . 47 MET CB 1 1 9 3721 1 1 19 MET CE C -2.032 -2.041 2.020 1.00 . A A . 47 MET CE 1 1 9 3722 1 1 19 MET CG C -0.667 0.291 1.755 1.00 . A A . 47 MET CG 1 1 9 3723 1 1 19 MET H H 2.338 2.865 2.433 1.00 . A A . 47 MET H 1 1 9 3724 1 1 19 MET HA H 0.651 1.884 0.290 1.00 . A A . 47 MET HA 1 1 9 3725 1 1 19 MET HB2 H 1.157 0.906 2.708 1.00 . A A . 47 MET HB2 1 1 9 3726 1 1 19 MET HB3 H -0.255 1.870 3.146 1.00 . A A . 47 MET HB3 1 1 9 3727 1 1 19 MET HE1 H -2.771 -2.384 2.731 1.00 . A A . 47 MET HE1 1 1 9 3728 1 1 19 MET HE2 H -1.588 -2.889 1.516 1.00 . A A . 47 MET HE2 1 1 9 3729 1 1 19 MET HE3 H -2.507 -1.402 1.292 1.00 . A A . 47 MET HE3 1 1 9 3730 1 1 19 MET HG2 H -1.658 0.699 1.620 1.00 . A A . 47 MET HG2 1 1 9 3731 1 1 19 MET HG3 H -0.280 -0.036 0.800 1.00 . A A . 47 MET HG3 1 1 9 3732 1 1 19 MET N N 1.928 2.996 1.551 1.00 . A A . 47 MET N 1 1 9 3733 1 1 19 MET O O -1.479 3.337 0.557 1.00 . A A . 47 MET O 1 1 9 3734 1 1 19 MET SD S -0.744 -1.116 2.890 1.00 . A A . 47 MET SD 1 1 9 3735 1 1 20 THR C C -1.227 6.358 0.523 1.00 . A A . 48 THR C 1 1 9 3736 1 1 20 THR CA C -1.242 5.664 1.885 1.00 . A A . 48 THR CA 1 1 9 3737 1 1 20 THR CB C -0.900 6.683 2.971 1.00 . A A . 48 THR CB 1 1 9 3738 1 1 20 THR CG2 C -1.622 6.314 4.268 1.00 . A A . 48 THR CG2 1 1 9 3739 1 1 20 THR H H 0.590 4.658 2.407 1.00 . A A . 48 THR H 1 1 9 3740 1 1 20 THR HA H -2.224 5.257 2.071 1.00 . A A . 48 THR HA 1 1 9 3741 1 1 20 THR HB H -1.220 7.662 2.652 1.00 . A A . 48 THR HB 1 1 9 3742 1 1 20 THR HG1 H 0.706 7.396 3.804 1.00 . A A . 48 THR HG1 1 1 9 3743 1 1 20 THR HG21 H -1.709 5.240 4.338 1.00 . A A . 48 THR HG21 1 1 9 3744 1 1 20 THR HG22 H -2.606 6.757 4.270 1.00 . A A . 48 THR HG22 1 1 9 3745 1 1 20 THR HG23 H -1.058 6.686 5.112 1.00 . A A . 48 THR HG23 1 1 9 3746 1 1 20 THR N N -0.238 4.564 1.890 1.00 . A A . 48 THR N 1 1 9 3747 1 1 20 THR O O -2.256 6.565 -0.089 1.00 . A A . 48 THR O 1 1 9 3748 1 1 20 THR OG1 O 0.504 6.687 3.190 1.00 . A A . 48 THR OG1 1 1 9 3749 1 1 21 LYS C C -0.771 6.533 -2.289 1.00 . A A . 49 LYS C 1 1 9 3750 1 1 21 LYS CA C -0.001 7.384 -1.289 1.00 . A A . 49 LYS CA 1 1 9 3751 1 1 21 LYS CB C 1.456 7.500 -1.737 1.00 . A A . 49 LYS CB 1 1 9 3752 1 1 21 LYS CD C 2.007 9.937 -1.653 1.00 . A A . 49 LYS CD 1 1 9 3753 1 1 21 LYS CE C 2.621 11.048 -0.800 1.00 . A A . 49 LYS CE 1 1 9 3754 1 1 21 LYS CG C 2.154 8.596 -0.930 1.00 . A A . 49 LYS CG 1 1 9 3755 1 1 21 LYS H H 0.752 6.531 0.539 1.00 . A A . 49 LYS H 1 1 9 3756 1 1 21 LYS HA H -0.446 8.366 -1.225 1.00 . A A . 49 LYS HA 1 1 9 3757 1 1 21 LYS HB2 H 1.957 6.556 -1.576 1.00 . A A . 49 LYS HB2 1 1 9 3758 1 1 21 LYS HB3 H 1.489 7.752 -2.787 1.00 . A A . 49 LYS HB3 1 1 9 3759 1 1 21 LYS HD2 H 2.516 9.890 -2.605 1.00 . A A . 49 LYS HD2 1 1 9 3760 1 1 21 LYS HD3 H 0.960 10.146 -1.814 1.00 . A A . 49 LYS HD3 1 1 9 3761 1 1 21 LYS HE2 H 1.969 11.909 -0.805 1.00 . A A . 49 LYS HE2 1 1 9 3762 1 1 21 LYS HE3 H 2.744 10.696 0.214 1.00 . A A . 49 LYS HE3 1 1 9 3763 1 1 21 LYS HG2 H 1.704 8.663 0.050 1.00 . A A . 49 LYS HG2 1 1 9 3764 1 1 21 LYS HG3 H 3.202 8.358 -0.829 1.00 . A A . 49 LYS HG3 1 1 9 3765 1 1 21 LYS HZ1 H 4.546 10.579 -1.443 1.00 . A A . 49 LYS HZ1 1 1 9 3766 1 1 21 LYS HZ2 H 4.410 12.111 -0.727 1.00 . A A . 49 LYS HZ2 1 1 9 3767 1 1 21 LYS HZ3 H 3.819 11.855 -2.300 1.00 . A A . 49 LYS HZ3 1 1 9 3768 1 1 21 LYS N N -0.068 6.713 0.037 1.00 . A A . 49 LYS N 1 1 9 3769 1 1 21 LYS NZ N 3.949 11.427 -1.360 1.00 . A A . 49 LYS NZ 1 1 9 3770 1 1 21 LYS O O -1.458 7.033 -3.157 1.00 . A A . 49 LYS O 1 1 9 3771 1 1 22 HIS C C -2.869 4.733 -3.108 1.00 . A A . 50 HIS C 1 1 9 3772 1 1 22 HIS CA C -1.391 4.339 -3.085 1.00 . A A . 50 HIS CA 1 1 9 3773 1 1 22 HIS CB C -1.251 2.897 -2.596 1.00 . A A . 50 HIS CB 1 1 9 3774 1 1 22 HIS CD2 C -3.157 1.133 -2.191 1.00 . A A . 50 HIS CD2 1 1 9 3775 1 1 22 HIS CE1 C -4.432 1.676 -3.857 1.00 . A A . 50 HIS CE1 1 1 9 3776 1 1 22 HIS CG C -2.536 2.162 -2.853 1.00 . A A . 50 HIS CG 1 1 9 3777 1 1 22 HIS H H -0.109 4.867 -1.446 1.00 . A A . 50 HIS H 1 1 9 3778 1 1 22 HIS HA H -0.976 4.427 -4.079 1.00 . A A . 50 HIS HA 1 1 9 3779 1 1 22 HIS HB2 H -0.443 2.413 -3.124 1.00 . A A . 50 HIS HB2 1 1 9 3780 1 1 22 HIS HB3 H -1.041 2.896 -1.536 1.00 . A A . 50 HIS HB3 1 1 9 3781 1 1 22 HIS HD1 H -3.204 3.188 -4.580 1.00 . A A . 50 HIS HD1 1 1 9 3782 1 1 22 HIS HD2 H -2.774 0.637 -1.311 1.00 . A A . 50 HIS HD2 1 1 9 3783 1 1 22 HIS HE1 H -5.253 1.711 -4.555 1.00 . A A . 50 HIS HE1 1 1 9 3784 1 1 22 HIS N N -0.665 5.242 -2.161 1.00 . A A . 50 HIS N 1 1 9 3785 1 1 22 HIS ND1 N -3.366 2.490 -3.912 1.00 . A A . 50 HIS ND1 1 1 9 3786 1 1 22 HIS NE2 N -4.358 0.829 -2.827 1.00 . A A . 50 HIS NE2 1 1 9 3787 1 1 22 HIS O O -3.465 4.883 -4.156 1.00 . A A . 50 HIS O 1 1 9 3788 1 1 23 LEU C C -5.050 6.678 -2.570 1.00 . A A . 51 LEU C 1 1 9 3789 1 1 23 LEU CA C -4.907 5.295 -1.936 1.00 . A A . 51 LEU CA 1 1 9 3790 1 1 23 LEU CB C -5.408 5.333 -0.491 1.00 . A A . 51 LEU CB 1 1 9 3791 1 1 23 LEU CD1 C -4.114 3.346 0.294 1.00 . A A . 51 LEU CD1 1 1 9 3792 1 1 23 LEU CD2 C -6.291 3.921 1.371 1.00 . A A . 51 LEU CD2 1 1 9 3793 1 1 23 LEU CG C -5.515 3.908 0.052 1.00 . A A . 51 LEU CG 1 1 9 3794 1 1 23 LEU H H -2.976 4.787 -1.121 1.00 . A A . 51 LEU H 1 1 9 3795 1 1 23 LEU HA H -5.485 4.576 -2.503 1.00 . A A . 51 LEU HA 1 1 9 3796 1 1 23 LEU HB2 H -4.715 5.898 0.113 1.00 . A A . 51 LEU HB2 1 1 9 3797 1 1 23 LEU HB3 H -6.380 5.802 -0.461 1.00 . A A . 51 LEU HB3 1 1 9 3798 1 1 23 LEU HD11 H -3.500 4.104 0.755 1.00 . A A . 51 LEU HD11 1 1 9 3799 1 1 23 LEU HD12 H -3.675 3.051 -0.647 1.00 . A A . 51 LEU HD12 1 1 9 3800 1 1 23 LEU HD13 H -4.177 2.488 0.947 1.00 . A A . 51 LEU HD13 1 1 9 3801 1 1 23 LEU HD21 H -6.998 4.737 1.364 1.00 . A A . 51 LEU HD21 1 1 9 3802 1 1 23 LEU HD22 H -5.602 4.048 2.192 1.00 . A A . 51 LEU HD22 1 1 9 3803 1 1 23 LEU HD23 H -6.821 2.987 1.487 1.00 . A A . 51 LEU HD23 1 1 9 3804 1 1 23 LEU HG H -6.032 3.286 -0.666 1.00 . A A . 51 LEU HG 1 1 9 3805 1 1 23 LEU N N -3.470 4.907 -1.961 1.00 . A A . 51 LEU N 1 1 9 3806 1 1 23 LEU O O -5.981 6.944 -3.303 1.00 . A A . 51 LEU O 1 1 9 3807 1 1 24 ARG C C -3.821 8.804 -4.387 1.00 . A A . 52 ARG C 1 1 9 3808 1 1 24 ARG CA C -4.190 8.913 -2.908 1.00 . A A . 52 ARG CA 1 1 9 3809 1 1 24 ARG CB C -3.200 9.840 -2.199 1.00 . A A . 52 ARG CB 1 1 9 3810 1 1 24 ARG CD C -2.209 12.129 -2.371 1.00 . A A . 52 ARG CD 1 1 9 3811 1 1 24 ARG CG C -3.462 11.287 -2.623 1.00 . A A . 52 ARG CG 1 1 9 3812 1 1 24 ARG CZ C -1.667 14.176 -1.195 1.00 . A A . 52 ARG CZ 1 1 9 3813 1 1 24 ARG H H -3.371 7.314 -1.722 1.00 . A A . 52 ARG H 1 1 9 3814 1 1 24 ARG HA H -5.192 9.304 -2.810 1.00 . A A . 52 ARG HA 1 1 9 3815 1 1 24 ARG HB2 H -3.323 9.748 -1.130 1.00 . A A . 52 ARG HB2 1 1 9 3816 1 1 24 ARG HB3 H -2.191 9.566 -2.471 1.00 . A A . 52 ARG HB3 1 1 9 3817 1 1 24 ARG HD2 H -1.520 11.573 -1.752 1.00 . A A . 52 ARG HD2 1 1 9 3818 1 1 24 ARG HD3 H -1.738 12.363 -3.314 1.00 . A A . 52 ARG HD3 1 1 9 3819 1 1 24 ARG HE H -3.537 13.633 -1.587 1.00 . A A . 52 ARG HE 1 1 9 3820 1 1 24 ARG HG2 H -3.711 11.316 -3.674 1.00 . A A . 52 ARG HG2 1 1 9 3821 1 1 24 ARG HG3 H -4.283 11.687 -2.047 1.00 . A A . 52 ARG HG3 1 1 9 3822 1 1 24 ARG HH11 H -0.151 13.007 -1.781 1.00 . A A . 52 ARG HH11 1 1 9 3823 1 1 24 ARG HH12 H 0.300 14.456 -0.945 1.00 . A A . 52 ARG HH12 1 1 9 3824 1 1 24 ARG HH21 H -2.967 15.529 -0.496 1.00 . A A . 52 ARG HH21 1 1 9 3825 1 1 24 ARG HH22 H -1.295 15.884 -0.219 1.00 . A A . 52 ARG HH22 1 1 9 3826 1 1 24 ARG N N -4.121 7.554 -2.306 1.00 . A A . 52 ARG N 1 1 9 3827 1 1 24 ARG NE N -2.591 13.392 -1.678 1.00 . A A . 52 ARG NE 1 1 9 3828 1 1 24 ARG NH1 N -0.409 13.855 -1.317 1.00 . A A . 52 ARG NH1 1 1 9 3829 1 1 24 ARG NH2 N -2.003 15.283 -0.590 1.00 . A A . 52 ARG NH2 1 1 9 3830 1 1 24 ARG O O -4.144 9.659 -5.187 1.00 . A A . 52 ARG O 1 1 9 3831 1 1 25 THR C C -3.764 6.628 -6.855 1.00 . A A . 53 THR C 1 1 9 3832 1 1 25 THR CA C -2.757 7.560 -6.176 1.00 . A A . 53 THR CA 1 1 9 3833 1 1 25 THR CB C -1.352 6.945 -6.241 1.00 . A A . 53 THR CB 1 1 9 3834 1 1 25 THR CG2 C -1.453 5.441 -6.511 1.00 . A A . 53 THR CG2 1 1 9 3835 1 1 25 THR H H -2.905 7.069 -4.088 1.00 . A A . 53 THR H 1 1 9 3836 1 1 25 THR HA H -2.755 8.517 -6.679 1.00 . A A . 53 THR HA 1 1 9 3837 1 1 25 THR HB H -0.846 7.102 -5.299 1.00 . A A . 53 THR HB 1 1 9 3838 1 1 25 THR HG1 H -0.781 7.078 -8.094 1.00 . A A . 53 THR HG1 1 1 9 3839 1 1 25 THR HG21 H -1.692 5.279 -7.552 1.00 . A A . 53 THR HG21 1 1 9 3840 1 1 25 THR HG22 H -2.228 5.014 -5.894 1.00 . A A . 53 THR HG22 1 1 9 3841 1 1 25 THR HG23 H -0.510 4.969 -6.281 1.00 . A A . 53 THR HG23 1 1 9 3842 1 1 25 THR N N -3.148 7.746 -4.754 1.00 . A A . 53 THR N 1 1 9 3843 1 1 25 THR O O -3.756 6.458 -8.059 1.00 . A A . 53 THR O 1 1 9 3844 1 1 25 THR OG1 O -0.615 7.565 -7.284 1.00 . A A . 53 THR OG1 1 1 9 3845 1 1 26 HIS C C -6.065 5.630 -8.054 1.00 . A A . 54 HIS C 1 1 9 3846 1 1 26 HIS CA C -5.641 5.102 -6.682 1.00 . A A . 54 HIS CA 1 1 9 3847 1 1 26 HIS CB C -6.864 5.027 -5.764 1.00 . A A . 54 HIS CB 1 1 9 3848 1 1 26 HIS CD2 C -7.285 3.016 -4.121 1.00 . A A . 54 HIS CD2 1 1 9 3849 1 1 26 HIS CE1 C -7.406 1.430 -5.591 1.00 . A A . 54 HIS CE1 1 1 9 3850 1 1 26 HIS CG C -7.102 3.599 -5.351 1.00 . A A . 54 HIS CG 1 1 9 3851 1 1 26 HIS H H -4.618 6.176 -5.121 1.00 . A A . 54 HIS H 1 1 9 3852 1 1 26 HIS HA H -5.211 4.117 -6.792 1.00 . A A . 54 HIS HA 1 1 9 3853 1 1 26 HIS HB2 H -6.692 5.630 -4.886 1.00 . A A . 54 HIS HB2 1 1 9 3854 1 1 26 HIS HB3 H -7.732 5.397 -6.289 1.00 . A A . 54 HIS HB3 1 1 9 3855 1 1 26 HIS HD1 H -7.088 2.653 -7.245 1.00 . A A . 54 HIS HD1 1 1 9 3856 1 1 26 HIS HD2 H -7.280 3.542 -3.176 1.00 . A A . 54 HIS HD2 1 1 9 3857 1 1 26 HIS HE1 H -7.515 0.458 -6.053 1.00 . A A . 54 HIS HE1 1 1 9 3858 1 1 26 HIS N N -4.631 6.024 -6.088 1.00 . A A . 54 HIS N 1 1 9 3859 1 1 26 HIS ND1 N -7.182 2.568 -6.273 1.00 . A A . 54 HIS ND1 1 1 9 3860 1 1 26 HIS NE2 N -7.477 1.647 -4.275 1.00 . A A . 54 HIS NE2 1 1 9 3861 1 1 26 HIS O O -6.015 4.927 -9.044 1.00 . A A . 54 HIS O 1 1 9 3862 1 1 27 GLY C C -8.268 8.126 -9.261 1.00 . A A . 55 GLY C 1 1 9 3863 1 1 27 GLY CA C -6.912 7.438 -9.426 1.00 . A A . 55 GLY CA 1 1 9 3864 1 1 27 GLY H H -6.517 7.414 -7.309 1.00 . A A . 55 GLY H 1 1 9 3865 1 1 27 GLY HA2 H -6.178 8.157 -9.760 1.00 . A A . 55 GLY HA2 1 1 9 3866 1 1 27 GLY HA3 H -7.001 6.647 -10.155 1.00 . A A . 55 GLY HA3 1 1 9 3867 1 1 27 GLY N N -6.484 6.864 -8.119 1.00 . A A . 55 GLY N 1 1 9 3868 1 1 27 GLY O O -8.646 8.869 -10.152 1.00 . A A . 55 GLY O 1 1 9 3869 1 1 27 GLY OXT O -8.905 7.900 -8.246 1.00 . A A . 55 GLY OXT 1 1 9 3870 2 2 1 ZN ZN ZN -5.941 0.291 -4.025 1.00 . B A . 84 ZN ZN 1 1 10 3871 1 1 1 GLU C C 5.687 -11.309 6.894 1.00 . A A . 29 GLU C 1 1 10 3872 1 1 1 GLU CA C 5.585 -11.268 8.420 1.00 . A A . 29 GLU CA 1 1 10 3873 1 1 1 GLU CB C 6.989 -11.199 9.024 1.00 . A A . 29 GLU CB 1 1 10 3874 1 1 1 GLU CD C 7.178 -12.161 11.323 1.00 . A A . 29 GLU CD 1 1 10 3875 1 1 1 GLU CG C 6.888 -10.892 10.520 1.00 . A A . 29 GLU CG 1 1 10 3876 1 1 1 GLU H1 H 5.603 -13.203 9.187 1.00 . A A . 29 GLU H1 1 1 10 3877 1 1 1 GLU H2 H 4.302 -12.884 8.143 1.00 . A A . 29 GLU H2 1 1 10 3878 1 1 1 GLU H3 H 4.299 -12.261 9.724 1.00 . A A . 29 GLU H3 1 1 10 3879 1 1 1 GLU HA H 5.020 -10.397 8.719 1.00 . A A . 29 GLU HA 1 1 10 3880 1 1 1 GLU HB2 H 7.488 -12.147 8.882 1.00 . A A . 29 GLU HB2 1 1 10 3881 1 1 1 GLU HB3 H 7.553 -10.418 8.536 1.00 . A A . 29 GLU HB3 1 1 10 3882 1 1 1 GLU HG2 H 7.606 -10.128 10.780 1.00 . A A . 29 GLU HG2 1 1 10 3883 1 1 1 GLU HG3 H 5.893 -10.544 10.749 1.00 . A A . 29 GLU HG3 1 1 10 3884 1 1 1 GLU N N 4.895 -12.498 8.905 1.00 . A A . 29 GLU N 1 1 10 3885 1 1 1 GLU O O 6.657 -11.788 6.340 1.00 . A A . 29 GLU O 1 1 10 3886 1 1 1 GLU OE1 O 6.573 -13.178 11.026 1.00 . A A . 29 GLU OE1 1 1 10 3887 1 1 1 GLU OE2 O 8.001 -12.094 12.222 1.00 . A A . 29 GLU OE2 1 1 10 3888 1 1 2 LYS C C 4.404 -9.427 4.189 1.00 . A A . 30 LYS C 1 1 10 3889 1 1 2 LYS CA C 4.736 -10.824 4.720 1.00 . A A . 30 LYS CA 1 1 10 3890 1 1 2 LYS CB C 3.710 -11.827 4.189 1.00 . A A . 30 LYS CB 1 1 10 3891 1 1 2 LYS CD C 1.239 -12.193 4.075 1.00 . A A . 30 LYS CD 1 1 10 3892 1 1 2 LYS CE C -0.008 -12.365 4.942 1.00 . A A . 30 LYS CE 1 1 10 3893 1 1 2 LYS CG C 2.383 -11.640 4.928 1.00 . A A . 30 LYS CG 1 1 10 3894 1 1 2 LYS H H 3.920 -10.430 6.675 1.00 . A A . 30 LYS H 1 1 10 3895 1 1 2 LYS HA H 5.722 -11.110 4.391 1.00 . A A . 30 LYS HA 1 1 10 3896 1 1 2 LYS HB2 H 3.560 -11.663 3.131 1.00 . A A . 30 LYS HB2 1 1 10 3897 1 1 2 LYS HB3 H 4.070 -12.831 4.350 1.00 . A A . 30 LYS HB3 1 1 10 3898 1 1 2 LYS HD2 H 1.027 -11.505 3.269 1.00 . A A . 30 LYS HD2 1 1 10 3899 1 1 2 LYS HD3 H 1.525 -13.150 3.665 1.00 . A A . 30 LYS HD3 1 1 10 3900 1 1 2 LYS HE2 H -0.342 -11.399 5.290 1.00 . A A . 30 LYS HE2 1 1 10 3901 1 1 2 LYS HE3 H -0.791 -12.829 4.360 1.00 . A A . 30 LYS HE3 1 1 10 3902 1 1 2 LYS HG2 H 2.418 -12.168 5.870 1.00 . A A . 30 LYS HG2 1 1 10 3903 1 1 2 LYS HG3 H 2.217 -10.590 5.111 1.00 . A A . 30 LYS HG3 1 1 10 3904 1 1 2 LYS HZ1 H 1.148 -13.814 5.893 1.00 . A A . 30 LYS HZ1 1 1 10 3905 1 1 2 LYS HZ2 H -0.493 -13.847 6.324 1.00 . A A . 30 LYS HZ2 1 1 10 3906 1 1 2 LYS HZ3 H 0.521 -12.630 6.939 1.00 . A A . 30 LYS HZ3 1 1 10 3907 1 1 2 LYS N N 4.693 -10.812 6.209 1.00 . A A . 30 LYS N 1 1 10 3908 1 1 2 LYS NZ N 0.316 -13.229 6.113 1.00 . A A . 30 LYS NZ 1 1 10 3909 1 1 2 LYS O O 3.673 -8.678 4.806 1.00 . A A . 30 LYS O 1 1 10 3910 1 1 3 PRO C C 3.233 -7.330 2.495 1.00 . A A . 31 PRO C 1 1 10 3911 1 1 3 PRO CA C 4.701 -7.758 2.413 1.00 . A A . 31 PRO CA 1 1 10 3912 1 1 3 PRO CB C 5.115 -7.980 0.959 1.00 . A A . 31 PRO CB 1 1 10 3913 1 1 3 PRO CD C 5.831 -9.927 2.237 1.00 . A A . 31 PRO CD 1 1 10 3914 1 1 3 PRO CG C 6.124 -9.081 0.992 1.00 . A A . 31 PRO CG 1 1 10 3915 1 1 3 PRO HA H 5.337 -7.010 2.858 1.00 . A A . 31 PRO HA 1 1 10 3916 1 1 3 PRO HB2 H 4.257 -8.273 0.368 1.00 . A A . 31 PRO HB2 1 1 10 3917 1 1 3 PRO HB3 H 5.561 -7.085 0.555 1.00 . A A . 31 PRO HB3 1 1 10 3918 1 1 3 PRO HD2 H 5.337 -10.848 1.960 1.00 . A A . 31 PRO HD2 1 1 10 3919 1 1 3 PRO HD3 H 6.742 -10.131 2.777 1.00 . A A . 31 PRO HD3 1 1 10 3920 1 1 3 PRO HG2 H 6.035 -9.688 0.102 1.00 . A A . 31 PRO HG2 1 1 10 3921 1 1 3 PRO HG3 H 7.118 -8.669 1.062 1.00 . A A . 31 PRO HG3 1 1 10 3922 1 1 3 PRO N N 4.939 -9.083 3.048 1.00 . A A . 31 PRO N 1 1 10 3923 1 1 3 PRO O O 2.356 -7.981 1.962 1.00 . A A . 31 PRO O 1 1 10 3924 1 1 4 PHE C C 1.061 -5.284 1.911 1.00 . A A . 32 PHE C 1 1 10 3925 1 1 4 PHE CA C 1.550 -5.774 3.276 1.00 . A A . 32 PHE CA 1 1 10 3926 1 1 4 PHE CB C 1.476 -4.627 4.286 1.00 . A A . 32 PHE CB 1 1 10 3927 1 1 4 PHE CD1 C 0.630 -5.746 6.380 1.00 . A A . 32 PHE CD1 1 1 10 3928 1 1 4 PHE CD2 C 2.962 -5.091 6.268 1.00 . A A . 32 PHE CD2 1 1 10 3929 1 1 4 PHE CE1 C 0.833 -6.248 7.671 1.00 . A A . 32 PHE CE1 1 1 10 3930 1 1 4 PHE CE2 C 3.165 -5.593 7.560 1.00 . A A . 32 PHE CE2 1 1 10 3931 1 1 4 PHE CG C 1.694 -5.168 5.679 1.00 . A A . 32 PHE CG 1 1 10 3932 1 1 4 PHE CZ C 2.100 -6.172 8.261 1.00 . A A . 32 PHE CZ 1 1 10 3933 1 1 4 PHE H H 3.682 -5.731 3.582 1.00 . A A . 32 PHE H 1 1 10 3934 1 1 4 PHE HA H 0.927 -6.589 3.610 1.00 . A A . 32 PHE HA 1 1 10 3935 1 1 4 PHE HB2 H 2.239 -3.898 4.059 1.00 . A A . 32 PHE HB2 1 1 10 3936 1 1 4 PHE HB3 H 0.504 -4.161 4.230 1.00 . A A . 32 PHE HB3 1 1 10 3937 1 1 4 PHE HD1 H -0.348 -5.805 5.925 1.00 . A A . 32 PHE HD1 1 1 10 3938 1 1 4 PHE HD2 H 3.783 -4.645 5.726 1.00 . A A . 32 PHE HD2 1 1 10 3939 1 1 4 PHE HE1 H 0.012 -6.694 8.212 1.00 . A A . 32 PHE HE1 1 1 10 3940 1 1 4 PHE HE2 H 4.143 -5.534 8.014 1.00 . A A . 32 PHE HE2 1 1 10 3941 1 1 4 PHE HZ H 2.257 -6.559 9.256 1.00 . A A . 32 PHE HZ 1 1 10 3942 1 1 4 PHE N N 2.960 -6.241 3.159 1.00 . A A . 32 PHE N 1 1 10 3943 1 1 4 PHE O O 1.675 -4.443 1.286 1.00 . A A . 32 PHE O 1 1 10 3944 1 1 5 SER C C -1.898 -4.636 0.315 1.00 . A A . 33 SER C 1 1 10 3945 1 1 5 SER CA C -0.568 -5.368 0.121 1.00 . A A . 33 SER CA 1 1 10 3946 1 1 5 SER CB C -0.785 -6.590 -0.770 1.00 . A A . 33 SER CB 1 1 10 3947 1 1 5 SER H H -0.522 -6.481 1.964 1.00 . A A . 33 SER H 1 1 10 3948 1 1 5 SER HA H 0.142 -4.703 -0.348 1.00 . A A . 33 SER HA 1 1 10 3949 1 1 5 SER HB2 H -1.776 -6.984 -0.612 1.00 . A A . 33 SER HB2 1 1 10 3950 1 1 5 SER HB3 H -0.677 -6.302 -1.808 1.00 . A A . 33 SER HB3 1 1 10 3951 1 1 5 SER HG H 0.726 -7.736 -1.210 1.00 . A A . 33 SER HG 1 1 10 3952 1 1 5 SER N N -0.042 -5.804 1.444 1.00 . A A . 33 SER N 1 1 10 3953 1 1 5 SER O O -2.585 -4.828 1.299 1.00 . A A . 33 SER O 1 1 10 3954 1 1 5 SER OG O 0.172 -7.589 -0.440 1.00 . A A . 33 SER OG 1 1 10 3955 1 1 6 CYS C C -4.722 -4.005 -0.747 1.00 . A A . 34 CYS C 1 1 10 3956 1 1 6 CYS CA C -3.550 -3.054 -0.483 1.00 . A A . 34 CYS CA 1 1 10 3957 1 1 6 CYS CB C -3.581 -1.909 -1.497 1.00 . A A . 34 CYS CB 1 1 10 3958 1 1 6 CYS H H -1.697 -3.658 -1.401 1.00 . A A . 34 CYS H 1 1 10 3959 1 1 6 CYS HA H -3.633 -2.653 0.517 1.00 . A A . 34 CYS HA 1 1 10 3960 1 1 6 CYS HB2 H -2.825 -1.182 -1.240 1.00 . A A . 34 CYS HB2 1 1 10 3961 1 1 6 CYS HB3 H -3.387 -2.298 -2.484 1.00 . A A . 34 CYS HB3 1 1 10 3962 1 1 6 CYS N N -2.266 -3.798 -0.615 1.00 . A A . 34 CYS N 1 1 10 3963 1 1 6 CYS O O -4.535 -5.169 -1.036 1.00 . A A . 34 CYS O 1 1 10 3964 1 1 6 CYS SG S -5.210 -1.119 -1.467 1.00 . A A . 34 CYS SG 1 1 10 3965 1 1 7 SER C C -7.201 -4.741 -2.377 1.00 . A A . 35 SER C 1 1 10 3966 1 1 7 SER CA C -7.112 -4.391 -0.889 1.00 . A A . 35 SER CA 1 1 10 3967 1 1 7 SER CB C -8.383 -3.657 -0.462 1.00 . A A . 35 SER CB 1 1 10 3968 1 1 7 SER H H -6.057 -2.575 -0.411 1.00 . A A . 35 SER H 1 1 10 3969 1 1 7 SER HA H -7.010 -5.299 -0.313 1.00 . A A . 35 SER HA 1 1 10 3970 1 1 7 SER HB2 H -9.119 -3.721 -1.245 1.00 . A A . 35 SER HB2 1 1 10 3971 1 1 7 SER HB3 H -8.776 -4.113 0.436 1.00 . A A . 35 SER HB3 1 1 10 3972 1 1 7 SER HG H -7.896 -2.188 0.718 1.00 . A A . 35 SER HG 1 1 10 3973 1 1 7 SER N N -5.928 -3.517 -0.648 1.00 . A A . 35 SER N 1 1 10 3974 1 1 7 SER O O -6.784 -5.800 -2.801 1.00 . A A . 35 SER O 1 1 10 3975 1 1 7 SER OG O -8.075 -2.290 -0.220 1.00 . A A . 35 SER OG 1 1 10 3976 1 1 8 LEU C C -6.777 -3.392 -5.392 1.00 . A A . 36 LEU C 1 1 10 3977 1 1 8 LEU CA C -7.867 -4.147 -4.630 1.00 . A A . 36 LEU CA 1 1 10 3978 1 1 8 LEU CB C -9.242 -3.695 -5.125 1.00 . A A . 36 LEU CB 1 1 10 3979 1 1 8 LEU CD1 C -9.346 -5.687 -6.630 1.00 . A A . 36 LEU CD1 1 1 10 3980 1 1 8 LEU CD2 C -10.827 -3.720 -7.056 1.00 . A A . 36 LEU CD2 1 1 10 3981 1 1 8 LEU CG C -9.444 -4.161 -6.568 1.00 . A A . 36 LEU CG 1 1 10 3982 1 1 8 LEU H H -8.079 -3.014 -2.811 1.00 . A A . 36 LEU H 1 1 10 3983 1 1 8 LEU HA H -7.755 -5.208 -4.799 1.00 . A A . 36 LEU HA 1 1 10 3984 1 1 8 LEU HB2 H -10.010 -4.122 -4.497 1.00 . A A . 36 LEU HB2 1 1 10 3985 1 1 8 LEU HB3 H -9.303 -2.618 -5.086 1.00 . A A . 36 LEU HB3 1 1 10 3986 1 1 8 LEU HD11 H -9.612 -6.104 -5.670 1.00 . A A . 36 LEU HD11 1 1 10 3987 1 1 8 LEU HD12 H -8.335 -5.972 -6.880 1.00 . A A . 36 LEU HD12 1 1 10 3988 1 1 8 LEU HD13 H -10.023 -6.061 -7.384 1.00 . A A . 36 LEU HD13 1 1 10 3989 1 1 8 LEU HD21 H -11.122 -4.328 -7.898 1.00 . A A . 36 LEU HD21 1 1 10 3990 1 1 8 LEU HD22 H -10.788 -2.683 -7.355 1.00 . A A . 36 LEU HD22 1 1 10 3991 1 1 8 LEU HD23 H -11.545 -3.838 -6.257 1.00 . A A . 36 LEU HD23 1 1 10 3992 1 1 8 LEU HG H -8.683 -3.726 -7.197 1.00 . A A . 36 LEU HG 1 1 10 3993 1 1 8 LEU N N -7.747 -3.860 -3.172 1.00 . A A . 36 LEU N 1 1 10 3994 1 1 8 LEU O O -6.955 -2.258 -5.790 1.00 . A A . 36 LEU O 1 1 10 3995 1 1 9 CYS C C -3.212 -3.997 -5.957 1.00 . A A . 37 CYS C 1 1 10 3996 1 1 9 CYS CA C -4.543 -3.343 -6.337 1.00 . A A . 37 CYS CA 1 1 10 3997 1 1 9 CYS CB C -4.505 -1.858 -5.971 1.00 . A A . 37 CYS CB 1 1 10 3998 1 1 9 CYS H H -5.533 -4.931 -5.268 1.00 . A A . 37 CYS H 1 1 10 3999 1 1 9 CYS HA H -4.705 -3.447 -7.400 1.00 . A A . 37 CYS HA 1 1 10 4000 1 1 9 CYS HB2 H -3.498 -1.484 -6.089 1.00 . A A . 37 CYS HB2 1 1 10 4001 1 1 9 CYS HB3 H -5.168 -1.309 -6.623 1.00 . A A . 37 CYS HB3 1 1 10 4002 1 1 9 CYS N N -5.651 -4.016 -5.599 1.00 . A A . 37 CYS N 1 1 10 4003 1 1 9 CYS O O -2.594 -3.637 -4.974 1.00 . A A . 37 CYS O 1 1 10 4004 1 1 9 CYS SG S -5.028 -1.639 -4.252 1.00 . A A . 37 CYS SG 1 1 10 4005 1 1 10 PRO C C -0.337 -4.724 -6.194 1.00 . A A . 38 PRO C 1 1 10 4006 1 1 10 PRO CA C -1.499 -5.678 -6.483 1.00 . A A . 38 PRO CA 1 1 10 4007 1 1 10 PRO CB C -1.253 -6.444 -7.784 1.00 . A A . 38 PRO CB 1 1 10 4008 1 1 10 PRO CD C -3.460 -5.448 -7.940 1.00 . A A . 38 PRO CD 1 1 10 4009 1 1 10 PRO CG C -2.604 -6.631 -8.392 1.00 . A A . 38 PRO CG 1 1 10 4010 1 1 10 PRO HA H -1.619 -6.377 -5.671 1.00 . A A . 38 PRO HA 1 1 10 4011 1 1 10 PRO HB2 H -0.619 -5.866 -8.442 1.00 . A A . 38 PRO HB2 1 1 10 4012 1 1 10 PRO HB3 H -0.806 -7.403 -7.575 1.00 . A A . 38 PRO HB3 1 1 10 4013 1 1 10 PRO HD2 H -3.483 -4.684 -8.706 1.00 . A A . 38 PRO HD2 1 1 10 4014 1 1 10 PRO HD3 H -4.459 -5.773 -7.696 1.00 . A A . 38 PRO HD3 1 1 10 4015 1 1 10 PRO HG2 H -2.522 -6.644 -9.471 1.00 . A A . 38 PRO HG2 1 1 10 4016 1 1 10 PRO HG3 H -3.043 -7.551 -8.043 1.00 . A A . 38 PRO HG3 1 1 10 4017 1 1 10 PRO N N -2.778 -4.953 -6.734 1.00 . A A . 38 PRO N 1 1 10 4018 1 1 10 PRO O O 0.470 -4.432 -7.054 1.00 . A A . 38 PRO O 1 1 10 4019 1 1 11 GLN C C 1.265 -3.508 -3.180 1.00 . A A . 39 GLN C 1 1 10 4020 1 1 11 GLN CA C 0.861 -3.301 -4.642 1.00 . A A . 39 GLN CA 1 1 10 4021 1 1 11 GLN CB C 0.392 -1.858 -4.842 1.00 . A A . 39 GLN CB 1 1 10 4022 1 1 11 GLN CD C 0.218 -0.810 -2.580 1.00 . A A . 39 GLN CD 1 1 10 4023 1 1 11 GLN CG C -0.567 -1.472 -3.714 1.00 . A A . 39 GLN CG 1 1 10 4024 1 1 11 GLN H H -0.908 -4.482 -4.309 1.00 . A A . 39 GLN H 1 1 10 4025 1 1 11 GLN HA H 1.710 -3.495 -5.282 1.00 . A A . 39 GLN HA 1 1 10 4026 1 1 11 GLN HB2 H 1.247 -1.197 -4.831 1.00 . A A . 39 GLN HB2 1 1 10 4027 1 1 11 GLN HB3 H -0.117 -1.772 -5.790 1.00 . A A . 39 GLN HB3 1 1 10 4028 1 1 11 GLN HE21 H -0.215 1.037 -3.168 1.00 . A A . 39 GLN HE21 1 1 10 4029 1 1 11 GLN HE22 H 0.755 0.926 -1.780 1.00 . A A . 39 GLN HE22 1 1 10 4030 1 1 11 GLN HG2 H -1.308 -0.782 -4.093 1.00 . A A . 39 GLN HG2 1 1 10 4031 1 1 11 GLN HG3 H -1.058 -2.357 -3.340 1.00 . A A . 39 GLN HG3 1 1 10 4032 1 1 11 GLN N N -0.247 -4.234 -4.988 1.00 . A A . 39 GLN N 1 1 10 4033 1 1 11 GLN NE2 N 0.255 0.493 -2.503 1.00 . A A . 39 GLN NE2 1 1 10 4034 1 1 11 GLN O O 0.430 -3.605 -2.303 1.00 . A A . 39 GLN O 1 1 10 4035 1 1 11 GLN OE1 O 0.802 -1.484 -1.755 1.00 . A A . 39 GLN OE1 1 1 10 4036 1 1 12 ARG C C 3.696 -2.517 -1.009 1.00 . A A . 40 ARG C 1 1 10 4037 1 1 12 ARG CA C 2.996 -3.781 -1.507 1.00 . A A . 40 ARG CA 1 1 10 4038 1 1 12 ARG CB C 3.970 -4.960 -1.451 1.00 . A A . 40 ARG CB 1 1 10 4039 1 1 12 ARG CD C 4.119 -5.932 -3.749 1.00 . A A . 40 ARG CD 1 1 10 4040 1 1 12 ARG CG C 4.796 -5.003 -2.738 1.00 . A A . 40 ARG CG 1 1 10 4041 1 1 12 ARG CZ C 4.869 -8.056 -2.859 1.00 . A A . 40 ARG CZ 1 1 10 4042 1 1 12 ARG H H 3.199 -3.499 -3.633 1.00 . A A . 40 ARG H 1 1 10 4043 1 1 12 ARG HA H 2.142 -3.991 -0.880 1.00 . A A . 40 ARG HA 1 1 10 4044 1 1 12 ARG HB2 H 4.630 -4.841 -0.603 1.00 . A A . 40 ARG HB2 1 1 10 4045 1 1 12 ARG HB3 H 3.416 -5.881 -1.349 1.00 . A A . 40 ARG HB3 1 1 10 4046 1 1 12 ARG HD2 H 3.181 -5.500 -4.062 1.00 . A A . 40 ARG HD2 1 1 10 4047 1 1 12 ARG HD3 H 4.763 -6.059 -4.607 1.00 . A A . 40 ARG HD3 1 1 10 4048 1 1 12 ARG HE H 2.955 -7.529 -2.891 1.00 . A A . 40 ARG HE 1 1 10 4049 1 1 12 ARG HG2 H 4.866 -4.008 -3.153 1.00 . A A . 40 ARG HG2 1 1 10 4050 1 1 12 ARG HG3 H 5.786 -5.374 -2.519 1.00 . A A . 40 ARG HG3 1 1 10 4051 1 1 12 ARG HH11 H 6.254 -6.806 -3.583 1.00 . A A . 40 ARG HH11 1 1 10 4052 1 1 12 ARG HH12 H 6.853 -8.308 -2.961 1.00 . A A . 40 ARG HH12 1 1 10 4053 1 1 12 ARG HH21 H 3.717 -9.495 -2.076 1.00 . A A . 40 ARG HH21 1 1 10 4054 1 1 12 ARG HH22 H 5.416 -9.830 -2.109 1.00 . A A . 40 ARG HH22 1 1 10 4055 1 1 12 ARG N N 2.541 -3.579 -2.911 1.00 . A A . 40 ARG N 1 1 10 4056 1 1 12 ARG NE N 3.870 -7.257 -3.116 1.00 . A A . 40 ARG NE 1 1 10 4057 1 1 12 ARG NH1 N 6.087 -7.695 -3.158 1.00 . A A . 40 ARG NH1 1 1 10 4058 1 1 12 ARG NH2 N 4.650 -9.218 -2.304 1.00 . A A . 40 ARG NH2 1 1 10 4059 1 1 12 ARG O O 4.529 -1.947 -1.686 1.00 . A A . 40 ARG O 1 1 10 4060 1 1 13 SER C C 4.731 -1.184 2.027 1.00 . A A . 41 SER C 1 1 10 4061 1 1 13 SER CA C 4.016 -0.846 0.716 1.00 . A A . 41 SER CA 1 1 10 4062 1 1 13 SER CB C 2.952 0.221 0.977 1.00 . A A . 41 SER CB 1 1 10 4063 1 1 13 SER H H 2.695 -2.547 0.706 1.00 . A A . 41 SER H 1 1 10 4064 1 1 13 SER HA H 4.734 -0.472 0.002 1.00 . A A . 41 SER HA 1 1 10 4065 1 1 13 SER HB2 H 3.243 0.825 1.820 1.00 . A A . 41 SER HB2 1 1 10 4066 1 1 13 SER HB3 H 2.855 0.852 0.103 1.00 . A A . 41 SER HB3 1 1 10 4067 1 1 13 SER HG H 1.713 -1.272 0.833 1.00 . A A . 41 SER HG 1 1 10 4068 1 1 13 SER N N 3.368 -2.073 0.174 1.00 . A A . 41 SER N 1 1 10 4069 1 1 13 SER O O 4.473 -2.200 2.640 1.00 . A A . 41 SER O 1 1 10 4070 1 1 13 SER OG O 1.712 -0.412 1.259 1.00 . A A . 41 SER OG 1 1 10 4071 1 1 14 ARG C C 6.066 0.494 4.740 1.00 . A A . 42 ARG C 1 1 10 4072 1 1 14 ARG CA C 6.357 -0.618 3.729 1.00 . A A . 42 ARG CA 1 1 10 4073 1 1 14 ARG CB C 7.862 -0.671 3.451 1.00 . A A . 42 ARG CB 1 1 10 4074 1 1 14 ARG CD C 9.916 -1.999 3.964 1.00 . A A . 42 ARG CD 1 1 10 4075 1 1 14 ARG CG C 8.545 -1.565 4.487 1.00 . A A . 42 ARG CG 1 1 10 4076 1 1 14 ARG CZ C 10.800 -3.035 5.967 1.00 . A A . 42 ARG CZ 1 1 10 4077 1 1 14 ARG H H 5.822 0.474 1.950 1.00 . A A . 42 ARG H 1 1 10 4078 1 1 14 ARG HA H 6.032 -1.564 4.132 1.00 . A A . 42 ARG HA 1 1 10 4079 1 1 14 ARG HB2 H 8.029 -1.073 2.462 1.00 . A A . 42 ARG HB2 1 1 10 4080 1 1 14 ARG HB3 H 8.275 0.324 3.509 1.00 . A A . 42 ARG HB3 1 1 10 4081 1 1 14 ARG HD2 H 9.835 -2.260 2.919 1.00 . A A . 42 ARG HD2 1 1 10 4082 1 1 14 ARG HD3 H 10.618 -1.187 4.079 1.00 . A A . 42 ARG HD3 1 1 10 4083 1 1 14 ARG HE H 10.394 -4.068 4.322 1.00 . A A . 42 ARG HE 1 1 10 4084 1 1 14 ARG HG2 H 8.669 -1.015 5.410 1.00 . A A . 42 ARG HG2 1 1 10 4085 1 1 14 ARG HG3 H 7.938 -2.439 4.667 1.00 . A A . 42 ARG HG3 1 1 10 4086 1 1 14 ARG HH11 H 10.482 -1.058 6.000 1.00 . A A . 42 ARG HH11 1 1 10 4087 1 1 14 ARG HH12 H 11.111 -1.740 7.462 1.00 . A A . 42 ARG HH12 1 1 10 4088 1 1 14 ARG HH21 H 11.214 -4.977 6.222 1.00 . A A . 42 ARG HH21 1 1 10 4089 1 1 14 ARG HH22 H 11.526 -3.958 7.588 1.00 . A A . 42 ARG HH22 1 1 10 4090 1 1 14 ARG N N 5.628 -0.341 2.460 1.00 . A A . 42 ARG N 1 1 10 4091 1 1 14 ARG NE N 10.391 -3.181 4.737 1.00 . A A . 42 ARG NE 1 1 10 4092 1 1 14 ARG NH1 N 10.797 -1.852 6.519 1.00 . A A . 42 ARG NH1 1 1 10 4093 1 1 14 ARG NH2 N 11.212 -4.070 6.645 1.00 . A A . 42 ARG NH2 1 1 10 4094 1 1 14 ARG O O 6.453 0.418 5.889 1.00 . A A . 42 ARG O 1 1 10 4095 1 1 15 ASP C C 3.704 3.234 4.907 1.00 . A A . 43 ASP C 1 1 10 4096 1 1 15 ASP CA C 5.068 2.640 5.262 1.00 . A A . 43 ASP CA 1 1 10 4097 1 1 15 ASP CB C 6.143 3.723 5.149 1.00 . A A . 43 ASP CB 1 1 10 4098 1 1 15 ASP CG C 7.400 3.277 5.899 1.00 . A A . 43 ASP CG 1 1 10 4099 1 1 15 ASP H H 5.080 1.569 3.392 1.00 . A A . 43 ASP H 1 1 10 4100 1 1 15 ASP HA H 5.044 2.262 6.274 1.00 . A A . 43 ASP HA 1 1 10 4101 1 1 15 ASP HB2 H 6.383 3.885 4.108 1.00 . A A . 43 ASP HB2 1 1 10 4102 1 1 15 ASP HB3 H 5.776 4.642 5.580 1.00 . A A . 43 ASP HB3 1 1 10 4103 1 1 15 ASP N N 5.385 1.526 4.323 1.00 . A A . 43 ASP N 1 1 10 4104 1 1 15 ASP O O 3.187 3.021 3.829 1.00 . A A . 43 ASP O 1 1 10 4105 1 1 15 ASP OD1 O 7.878 2.190 5.619 1.00 . A A . 43 ASP OD1 1 1 10 4106 1 1 15 ASP OD2 O 7.861 4.030 6.740 1.00 . A A . 43 ASP OD2 1 1 10 4107 1 1 16 PHE C C 1.952 5.699 4.477 1.00 . A A . 44 PHE C 1 1 10 4108 1 1 16 PHE CA C 1.788 4.584 5.512 1.00 . A A . 44 PHE CA 1 1 10 4109 1 1 16 PHE CB C 1.193 5.165 6.796 1.00 . A A . 44 PHE CB 1 1 10 4110 1 1 16 PHE CD1 C -1.151 4.276 6.523 1.00 . A A . 44 PHE CD1 1 1 10 4111 1 1 16 PHE CD2 C -0.807 6.676 6.525 1.00 . A A . 44 PHE CD2 1 1 10 4112 1 1 16 PHE CE1 C -2.526 4.473 6.351 1.00 . A A . 44 PHE CE1 1 1 10 4113 1 1 16 PHE CE2 C -2.182 6.873 6.352 1.00 . A A . 44 PHE CE2 1 1 10 4114 1 1 16 PHE CG C -0.291 5.377 6.611 1.00 . A A . 44 PHE CG 1 1 10 4115 1 1 16 PHE CZ C -3.042 5.771 6.266 1.00 . A A . 44 PHE CZ 1 1 10 4116 1 1 16 PHE H H 3.551 4.140 6.669 1.00 . A A . 44 PHE H 1 1 10 4117 1 1 16 PHE HA H 1.127 3.826 5.122 1.00 . A A . 44 PHE HA 1 1 10 4118 1 1 16 PHE HB2 H 1.360 4.478 7.613 1.00 . A A . 44 PHE HB2 1 1 10 4119 1 1 16 PHE HB3 H 1.666 6.110 7.017 1.00 . A A . 44 PHE HB3 1 1 10 4120 1 1 16 PHE HD1 H -0.753 3.274 6.589 1.00 . A A . 44 PHE HD1 1 1 10 4121 1 1 16 PHE HD2 H -0.144 7.527 6.591 1.00 . A A . 44 PHE HD2 1 1 10 4122 1 1 16 PHE HE1 H -3.189 3.623 6.284 1.00 . A A . 44 PHE HE1 1 1 10 4123 1 1 16 PHE HE2 H -2.580 7.875 6.286 1.00 . A A . 44 PHE HE2 1 1 10 4124 1 1 16 PHE HZ H -4.103 5.923 6.132 1.00 . A A . 44 PHE HZ 1 1 10 4125 1 1 16 PHE N N 3.118 3.979 5.805 1.00 . A A . 44 PHE N 1 1 10 4126 1 1 16 PHE O O 1.144 5.851 3.583 1.00 . A A . 44 PHE O 1 1 10 4127 1 1 17 SER C C 3.073 7.026 2.189 1.00 . A A . 45 SER C 1 1 10 4128 1 1 17 SER CA C 3.205 7.580 3.609 1.00 . A A . 45 SER CA 1 1 10 4129 1 1 17 SER CB C 4.604 8.170 3.800 1.00 . A A . 45 SER CB 1 1 10 4130 1 1 17 SER H H 3.634 6.339 5.317 1.00 . A A . 45 SER H 1 1 10 4131 1 1 17 SER HA H 2.464 8.350 3.766 1.00 . A A . 45 SER HA 1 1 10 4132 1 1 17 SER HB2 H 5.308 7.640 3.182 1.00 . A A . 45 SER HB2 1 1 10 4133 1 1 17 SER HB3 H 4.593 9.215 3.515 1.00 . A A . 45 SER HB3 1 1 10 4134 1 1 17 SER HG H 4.277 7.593 5.629 1.00 . A A . 45 SER HG 1 1 10 4135 1 1 17 SER N N 2.993 6.478 4.589 1.00 . A A . 45 SER N 1 1 10 4136 1 1 17 SER O O 2.283 7.502 1.398 1.00 . A A . 45 SER O 1 1 10 4137 1 1 17 SER OG O 4.986 8.041 5.163 1.00 . A A . 45 SER OG 1 1 10 4138 1 1 18 ALA C C 2.367 4.810 0.303 1.00 . A A . 46 ALA C 1 1 10 4139 1 1 18 ALA CA C 3.750 5.437 0.493 1.00 . A A . 46 ALA CA 1 1 10 4140 1 1 18 ALA CB C 4.826 4.361 0.329 1.00 . A A . 46 ALA CB 1 1 10 4141 1 1 18 ALA H H 4.467 5.650 2.514 1.00 . A A . 46 ALA H 1 1 10 4142 1 1 18 ALA HA H 3.899 6.213 -0.243 1.00 . A A . 46 ALA HA 1 1 10 4143 1 1 18 ALA HB1 H 4.395 3.489 -0.142 1.00 . A A . 46 ALA HB1 1 1 10 4144 1 1 18 ALA HB2 H 5.216 4.091 1.299 1.00 . A A . 46 ALA HB2 1 1 10 4145 1 1 18 ALA HB3 H 5.626 4.744 -0.287 1.00 . A A . 46 ALA HB3 1 1 10 4146 1 1 18 ALA N N 3.837 6.022 1.860 1.00 . A A . 46 ALA N 1 1 10 4147 1 1 18 ALA O O 1.847 4.753 -0.794 1.00 . A A . 46 ALA O 1 1 10 4148 1 1 19 MET C C -0.624 4.819 1.026 1.00 . A A . 47 MET C 1 1 10 4149 1 1 19 MET CA C 0.419 3.723 1.246 1.00 . A A . 47 MET CA 1 1 10 4150 1 1 19 MET CB C 0.093 2.963 2.533 1.00 . A A . 47 MET CB 1 1 10 4151 1 1 19 MET CE C -3.330 0.827 3.332 1.00 . A A . 47 MET CE 1 1 10 4152 1 1 19 MET CG C -1.161 2.112 2.322 1.00 . A A . 47 MET CG 1 1 10 4153 1 1 19 MET H H 2.206 4.401 2.238 1.00 . A A . 47 MET H 1 1 10 4154 1 1 19 MET HA H 0.407 3.039 0.410 1.00 . A A . 47 MET HA 1 1 10 4155 1 1 19 MET HB2 H 0.924 2.323 2.793 1.00 . A A . 47 MET HB2 1 1 10 4156 1 1 19 MET HB3 H -0.083 3.667 3.331 1.00 . A A . 47 MET HB3 1 1 10 4157 1 1 19 MET HE1 H -3.732 0.163 4.083 1.00 . A A . 47 MET HE1 1 1 10 4158 1 1 19 MET HE2 H -3.152 0.279 2.417 1.00 . A A . 47 MET HE2 1 1 10 4159 1 1 19 MET HE3 H -4.035 1.620 3.141 1.00 . A A . 47 MET HE3 1 1 10 4160 1 1 19 MET HG2 H -1.923 2.708 1.840 1.00 . A A . 47 MET HG2 1 1 10 4161 1 1 19 MET HG3 H -0.920 1.264 1.699 1.00 . A A . 47 MET HG3 1 1 10 4162 1 1 19 MET N N 1.769 4.343 1.363 1.00 . A A . 47 MET N 1 1 10 4163 1 1 19 MET O O -1.616 4.618 0.353 1.00 . A A . 47 MET O 1 1 10 4164 1 1 19 MET SD S -1.771 1.531 3.923 1.00 . A A . 47 MET SD 1 1 10 4165 1 1 20 THR C C -1.442 7.480 -0.071 1.00 . A A . 48 THR C 1 1 10 4166 1 1 20 THR CA C -1.391 7.084 1.405 1.00 . A A . 48 THR CA 1 1 10 4167 1 1 20 THR CB C -0.964 8.295 2.234 1.00 . A A . 48 THR CB 1 1 10 4168 1 1 20 THR CG2 C -1.575 8.199 3.634 1.00 . A A . 48 THR CG2 1 1 10 4169 1 1 20 THR H H 0.398 6.121 2.125 1.00 . A A . 48 THR H 1 1 10 4170 1 1 20 THR HA H -2.367 6.754 1.724 1.00 . A A . 48 THR HA 1 1 10 4171 1 1 20 THR HB H -1.313 9.194 1.754 1.00 . A A . 48 THR HB 1 1 10 4172 1 1 20 THR HG1 H 0.729 9.245 2.341 1.00 . A A . 48 THR HG1 1 1 10 4173 1 1 20 THR HG21 H -1.192 9.001 4.249 1.00 . A A . 48 THR HG21 1 1 10 4174 1 1 20 THR HG22 H -1.313 7.250 4.077 1.00 . A A . 48 THR HG22 1 1 10 4175 1 1 20 THR HG23 H -2.648 8.281 3.565 1.00 . A A . 48 THR HG23 1 1 10 4176 1 1 20 THR N N -0.409 5.978 1.586 1.00 . A A . 48 THR N 1 1 10 4177 1 1 20 THR O O -2.493 7.515 -0.678 1.00 . A A . 48 THR O 1 1 10 4178 1 1 20 THR OG1 O 0.453 8.325 2.332 1.00 . A A . 48 THR OG1 1 1 10 4179 1 1 21 LYS C C -1.005 7.062 -2.891 1.00 . A A . 49 LYS C 1 1 10 4180 1 1 21 LYS CA C -0.304 8.156 -2.094 1.00 . A A . 49 LYS CA 1 1 10 4181 1 1 21 LYS CB C 1.139 8.294 -2.581 1.00 . A A . 49 LYS CB 1 1 10 4182 1 1 21 LYS CD C 2.857 10.063 -2.989 1.00 . A A . 49 LYS CD 1 1 10 4183 1 1 21 LYS CE C 3.690 11.139 -2.289 1.00 . A A . 49 LYS CE 1 1 10 4184 1 1 21 LYS CG C 1.731 9.605 -2.059 1.00 . A A . 49 LYS CG 1 1 10 4185 1 1 21 LYS H H 0.527 7.731 -0.153 1.00 . A A . 49 LYS H 1 1 10 4186 1 1 21 LYS HA H -0.825 9.093 -2.225 1.00 . A A . 49 LYS HA 1 1 10 4187 1 1 21 LYS HB2 H 1.723 7.461 -2.215 1.00 . A A . 49 LYS HB2 1 1 10 4188 1 1 21 LYS HB3 H 1.155 8.298 -3.662 1.00 . A A . 49 LYS HB3 1 1 10 4189 1 1 21 LYS HD2 H 3.488 9.220 -3.233 1.00 . A A . 49 LYS HD2 1 1 10 4190 1 1 21 LYS HD3 H 2.434 10.471 -3.894 1.00 . A A . 49 LYS HD3 1 1 10 4191 1 1 21 LYS HE2 H 4.126 10.728 -1.390 1.00 . A A . 49 LYS HE2 1 1 10 4192 1 1 21 LYS HE3 H 4.477 11.472 -2.950 1.00 . A A . 49 LYS HE3 1 1 10 4193 1 1 21 LYS HG2 H 0.960 10.361 -2.027 1.00 . A A . 49 LYS HG2 1 1 10 4194 1 1 21 LYS HG3 H 2.127 9.451 -1.066 1.00 . A A . 49 LYS HG3 1 1 10 4195 1 1 21 LYS HZ1 H 3.406 13.127 -1.737 1.00 . A A . 49 LYS HZ1 1 1 10 4196 1 1 21 LYS HZ2 H 2.256 12.059 -1.091 1.00 . A A . 49 LYS HZ2 1 1 10 4197 1 1 21 LYS HZ3 H 2.178 12.500 -2.730 1.00 . A A . 49 LYS HZ3 1 1 10 4198 1 1 21 LYS N N -0.313 7.772 -0.657 1.00 . A A . 49 LYS N 1 1 10 4199 1 1 21 LYS NZ N 2.816 12.294 -1.935 1.00 . A A . 49 LYS NZ 1 1 10 4200 1 1 21 LYS O O -1.726 7.323 -3.832 1.00 . A A . 49 LYS O 1 1 10 4201 1 1 22 HIS C C -2.966 4.927 -3.238 1.00 . A A . 50 HIS C 1 1 10 4202 1 1 22 HIS CA C -1.452 4.709 -3.227 1.00 . A A . 50 HIS CA 1 1 10 4203 1 1 22 HIS CB C -1.127 3.395 -2.512 1.00 . A A . 50 HIS CB 1 1 10 4204 1 1 22 HIS CD2 C -2.717 1.397 -1.886 1.00 . A A . 50 HIS CD2 1 1 10 4205 1 1 22 HIS CE1 C -4.110 1.584 -3.534 1.00 . A A . 50 HIS CE1 1 1 10 4206 1 1 22 HIS CG C -2.288 2.451 -2.653 1.00 . A A . 50 HIS CG 1 1 10 4207 1 1 22 HIS H H -0.215 5.652 -1.743 1.00 . A A . 50 HIS H 1 1 10 4208 1 1 22 HIS HA H -1.084 4.668 -4.241 1.00 . A A . 50 HIS HA 1 1 10 4209 1 1 22 HIS HB2 H -0.245 2.954 -2.953 1.00 . A A . 50 HIS HB2 1 1 10 4210 1 1 22 HIS HB3 H -0.947 3.591 -1.465 1.00 . A A . 50 HIS HB3 1 1 10 4211 1 1 22 HIS HD1 H -3.165 3.205 -4.427 1.00 . A A . 50 HIS HD1 1 1 10 4212 1 1 22 HIS HD2 H -2.235 1.046 -0.986 1.00 . A A . 50 HIS HD2 1 1 10 4213 1 1 22 HIS HE1 H -4.944 1.429 -4.197 1.00 . A A . 50 HIS HE1 1 1 10 4214 1 1 22 HIS N N -0.799 5.834 -2.508 1.00 . A A . 50 HIS N 1 1 10 4215 1 1 22 HIS ND1 N -3.191 2.549 -3.700 1.00 . A A . 50 HIS ND1 1 1 10 4216 1 1 22 HIS NE2 N -3.868 0.851 -2.444 1.00 . A A . 50 HIS NE2 1 1 10 4217 1 1 22 HIS O O -3.628 4.693 -4.229 1.00 . A A . 50 HIS O 1 1 10 4218 1 1 23 LEU C C -5.324 6.840 -2.953 1.00 . A A . 51 LEU C 1 1 10 4219 1 1 23 LEU CA C -4.996 5.603 -2.116 1.00 . A A . 51 LEU CA 1 1 10 4220 1 1 23 LEU CB C -5.462 5.817 -0.674 1.00 . A A . 51 LEU CB 1 1 10 4221 1 1 23 LEU CD1 C -4.902 5.454 1.733 1.00 . A A . 51 LEU CD1 1 1 10 4222 1 1 23 LEU CD2 C -4.242 3.753 0.028 1.00 . A A . 51 LEU CD2 1 1 10 4223 1 1 23 LEU CG C -4.423 5.249 0.295 1.00 . A A . 51 LEU CG 1 1 10 4224 1 1 23 LEU H H -2.978 5.564 -1.353 1.00 . A A . 51 LEU H 1 1 10 4225 1 1 23 LEU HA H -5.501 4.743 -2.535 1.00 . A A . 51 LEU HA 1 1 10 4226 1 1 23 LEU HB2 H -5.587 6.873 -0.490 1.00 . A A . 51 LEU HB2 1 1 10 4227 1 1 23 LEU HB3 H -6.405 5.312 -0.523 1.00 . A A . 51 LEU HB3 1 1 10 4228 1 1 23 LEU HD11 H -4.962 6.511 1.946 1.00 . A A . 51 LEU HD11 1 1 10 4229 1 1 23 LEU HD12 H -4.203 4.991 2.414 1.00 . A A . 51 LEU HD12 1 1 10 4230 1 1 23 LEU HD13 H -5.876 5.005 1.857 1.00 . A A . 51 LEU HD13 1 1 10 4231 1 1 23 LEU HD21 H -3.400 3.605 -0.632 1.00 . A A . 51 LEU HD21 1 1 10 4232 1 1 23 LEU HD22 H -5.134 3.358 -0.432 1.00 . A A . 51 LEU HD22 1 1 10 4233 1 1 23 LEU HD23 H -4.061 3.241 0.962 1.00 . A A . 51 LEU HD23 1 1 10 4234 1 1 23 LEU HG H -3.483 5.759 0.153 1.00 . A A . 51 LEU HG 1 1 10 4235 1 1 23 LEU N N -3.524 5.376 -2.146 1.00 . A A . 51 LEU N 1 1 10 4236 1 1 23 LEU O O -6.317 6.884 -3.651 1.00 . A A . 51 LEU O 1 1 10 4237 1 1 24 ARG C C -4.388 8.773 -5.164 1.00 . A A . 52 ARG C 1 1 10 4238 1 1 24 ARG CA C -4.743 9.064 -3.706 1.00 . A A . 52 ARG CA 1 1 10 4239 1 1 24 ARG CB C -3.875 10.212 -3.185 1.00 . A A . 52 ARG CB 1 1 10 4240 1 1 24 ARG CD C -3.856 12.101 -1.549 1.00 . A A . 52 ARG CD 1 1 10 4241 1 1 24 ARG CG C -4.447 10.724 -1.861 1.00 . A A . 52 ARG CG 1 1 10 4242 1 1 24 ARG CZ C -2.057 12.818 -0.094 1.00 . A A . 52 ARG CZ 1 1 10 4243 1 1 24 ARG H H -3.686 7.779 -2.339 1.00 . A A . 52 ARG H 1 1 10 4244 1 1 24 ARG HA H -5.786 9.334 -3.633 1.00 . A A . 52 ARG HA 1 1 10 4245 1 1 24 ARG HB2 H -2.866 9.858 -3.028 1.00 . A A . 52 ARG HB2 1 1 10 4246 1 1 24 ARG HB3 H -3.867 11.014 -3.906 1.00 . A A . 52 ARG HB3 1 1 10 4247 1 1 24 ARG HD2 H -3.775 12.674 -2.461 1.00 . A A . 52 ARG HD2 1 1 10 4248 1 1 24 ARG HD3 H -4.500 12.620 -0.855 1.00 . A A . 52 ARG HD3 1 1 10 4249 1 1 24 ARG HE H -1.952 11.163 -1.184 1.00 . A A . 52 ARG HE 1 1 10 4250 1 1 24 ARG HG2 H -5.522 10.802 -1.942 1.00 . A A . 52 ARG HG2 1 1 10 4251 1 1 24 ARG HG3 H -4.193 10.038 -1.069 1.00 . A A . 52 ARG HG3 1 1 10 4252 1 1 24 ARG HH11 H -3.699 13.959 -0.183 1.00 . A A . 52 ARG HH11 1 1 10 4253 1 1 24 ARG HH12 H -2.450 14.524 0.877 1.00 . A A . 52 ARG HH12 1 1 10 4254 1 1 24 ARG HH21 H -0.310 11.883 0.193 1.00 . A A . 52 ARG HH21 1 1 10 4255 1 1 24 ARG HH22 H -0.532 13.349 1.088 1.00 . A A . 52 ARG HH22 1 1 10 4256 1 1 24 ARG N N -4.487 7.839 -2.900 1.00 . A A . 52 ARG N 1 1 10 4257 1 1 24 ARG NE N -2.504 11.935 -0.944 1.00 . A A . 52 ARG NE 1 1 10 4258 1 1 24 ARG NH1 N -2.793 13.847 0.225 1.00 . A A . 52 ARG NH1 1 1 10 4259 1 1 24 ARG NH2 N -0.875 12.672 0.437 1.00 . A A . 52 ARG NH2 1 1 10 4260 1 1 24 ARG O O -4.868 9.418 -6.074 1.00 . A A . 52 ARG O 1 1 10 4261 1 1 25 THR C C -4.082 6.334 -7.292 1.00 . A A . 53 THR C 1 1 10 4262 1 1 25 THR CA C -3.162 7.445 -6.781 1.00 . A A . 53 THR CA 1 1 10 4263 1 1 25 THR CB C -1.710 6.959 -6.799 1.00 . A A . 53 THR CB 1 1 10 4264 1 1 25 THR CG2 C -1.674 5.434 -6.668 1.00 . A A . 53 THR CG2 1 1 10 4265 1 1 25 THR H H -3.182 7.287 -4.636 1.00 . A A . 53 THR H 1 1 10 4266 1 1 25 THR HA H -3.261 8.316 -7.414 1.00 . A A . 53 THR HA 1 1 10 4267 1 1 25 THR HB H -1.170 7.399 -5.973 1.00 . A A . 53 THR HB 1 1 10 4268 1 1 25 THR HG1 H -1.242 6.639 -8.659 1.00 . A A . 53 THR HG1 1 1 10 4269 1 1 25 THR HG21 H -2.403 5.119 -5.937 1.00 . A A . 53 THR HG21 1 1 10 4270 1 1 25 THR HG22 H -0.689 5.123 -6.352 1.00 . A A . 53 THR HG22 1 1 10 4271 1 1 25 THR HG23 H -1.904 4.986 -7.623 1.00 . A A . 53 THR HG23 1 1 10 4272 1 1 25 THR N N -3.551 7.795 -5.387 1.00 . A A . 53 THR N 1 1 10 4273 1 1 25 THR O O -4.092 6.011 -8.463 1.00 . A A . 53 THR O 1 1 10 4274 1 1 25 THR OG1 O -1.099 7.344 -8.022 1.00 . A A . 53 THR OG1 1 1 10 4275 1 1 26 HIS C C -6.237 4.901 -8.278 1.00 . A A . 54 HIS C 1 1 10 4276 1 1 26 HIS CA C -5.776 4.655 -6.841 1.00 . A A . 54 HIS CA 1 1 10 4277 1 1 26 HIS CB C -6.992 4.630 -5.911 1.00 . A A . 54 HIS CB 1 1 10 4278 1 1 26 HIS CD2 C -7.223 2.938 -3.911 1.00 . A A . 54 HIS CD2 1 1 10 4279 1 1 26 HIS CE1 C -7.160 1.096 -5.051 1.00 . A A . 54 HIS CE1 1 1 10 4280 1 1 26 HIS CG C -7.084 3.290 -5.232 1.00 . A A . 54 HIS CG 1 1 10 4281 1 1 26 HIS H H -4.826 6.024 -5.478 1.00 . A A . 54 HIS H 1 1 10 4282 1 1 26 HIS HA H -5.261 3.706 -6.784 1.00 . A A . 54 HIS HA 1 1 10 4283 1 1 26 HIS HB2 H -6.890 5.404 -5.166 1.00 . A A . 54 HIS HB2 1 1 10 4284 1 1 26 HIS HB3 H -7.889 4.802 -6.488 1.00 . A A . 54 HIS HB3 1 1 10 4285 1 1 26 HIS HD1 H -6.945 2.006 -6.909 1.00 . A A . 54 HIS HD1 1 1 10 4286 1 1 26 HIS HD2 H -7.282 3.631 -3.084 1.00 . A A . 54 HIS HD2 1 1 10 4287 1 1 26 HIS HE1 H -7.161 0.049 -5.317 1.00 . A A . 54 HIS HE1 1 1 10 4288 1 1 26 HIS N N -4.854 5.746 -6.417 1.00 . A A . 54 HIS N 1 1 10 4289 1 1 26 HIS ND1 N -7.045 2.100 -5.939 1.00 . A A . 54 HIS ND1 1 1 10 4290 1 1 26 HIS NE2 N -7.271 1.551 -3.800 1.00 . A A . 54 HIS NE2 1 1 10 4291 1 1 26 HIS O O -5.686 4.361 -9.218 1.00 . A A . 54 HIS O 1 1 10 4292 1 1 27 GLY C C -8.227 4.694 -10.477 1.00 . A A . 55 GLY C 1 1 10 4293 1 1 27 GLY CA C -7.736 5.993 -9.835 1.00 . A A . 55 GLY CA 1 1 10 4294 1 1 27 GLY H H -7.672 6.139 -7.687 1.00 . A A . 55 GLY H 1 1 10 4295 1 1 27 GLY HA2 H -8.551 6.703 -9.788 1.00 . A A . 55 GLY HA2 1 1 10 4296 1 1 27 GLY HA3 H -6.934 6.403 -10.430 1.00 . A A . 55 GLY HA3 1 1 10 4297 1 1 27 GLY N N -7.243 5.713 -8.458 1.00 . A A . 55 GLY N 1 1 10 4298 1 1 27 GLY O O -7.743 3.644 -10.085 1.00 . A A . 55 GLY O 1 1 10 4299 1 1 27 GLY OXT O -9.077 4.770 -11.349 1.00 . A A . 55 GLY OXT 1 1 10 4300 2 2 1 ZN ZN ZN -5.703 0.363 -3.220 1.00 . B A . 84 ZN ZN 1 1 11 4301 1 1 1 GLU C C 6.285 -7.012 7.742 1.00 . A A . 29 GLU C 1 1 11 4302 1 1 1 GLU CA C 6.314 -5.961 8.854 1.00 . A A . 29 GLU CA 1 1 11 4303 1 1 1 GLU CB C 6.818 -4.632 8.289 1.00 . A A . 29 GLU CB 1 1 11 4304 1 1 1 GLU CD C 7.822 -3.435 10.238 1.00 . A A . 29 GLU CD 1 1 11 4305 1 1 1 GLU CG C 6.601 -3.526 9.322 1.00 . A A . 29 GLU CG 1 1 11 4306 1 1 1 GLU H1 H 7.372 -7.442 9.868 1.00 . A A . 29 GLU H1 1 1 11 4307 1 1 1 GLU H2 H 6.800 -6.190 10.866 1.00 . A A . 29 GLU H2 1 1 11 4308 1 1 1 GLU H3 H 8.140 -5.930 9.854 1.00 . A A . 29 GLU H3 1 1 11 4309 1 1 1 GLU HA H 5.318 -5.829 9.251 1.00 . A A . 29 GLU HA 1 1 11 4310 1 1 1 GLU HB2 H 7.872 -4.714 8.063 1.00 . A A . 29 GLU HB2 1 1 11 4311 1 1 1 GLU HB3 H 6.273 -4.393 7.389 1.00 . A A . 29 GLU HB3 1 1 11 4312 1 1 1 GLU HG2 H 6.458 -2.582 8.815 1.00 . A A . 29 GLU HG2 1 1 11 4313 1 1 1 GLU HG3 H 5.727 -3.752 9.914 1.00 . A A . 29 GLU HG3 1 1 11 4314 1 1 1 GLU N N 7.225 -6.415 9.943 1.00 . A A . 29 GLU N 1 1 11 4315 1 1 1 GLU O O 7.258 -7.220 7.045 1.00 . A A . 29 GLU O 1 1 11 4316 1 1 1 GLU OE1 O 8.479 -4.446 10.420 1.00 . A A . 29 GLU OE1 1 1 11 4317 1 1 1 GLU OE2 O 8.082 -2.354 10.742 1.00 . A A . 29 GLU OE2 1 1 11 4318 1 1 2 LYS C C 4.594 -8.069 5.207 1.00 . A A . 30 LYS C 1 1 11 4319 1 1 2 LYS CA C 5.080 -8.715 6.506 1.00 . A A . 30 LYS CA 1 1 11 4320 1 1 2 LYS CB C 4.090 -9.799 6.938 1.00 . A A . 30 LYS CB 1 1 11 4321 1 1 2 LYS CD C 1.775 -10.141 7.815 1.00 . A A . 30 LYS CD 1 1 11 4322 1 1 2 LYS CE C 1.215 -10.129 9.240 1.00 . A A . 30 LYS CE 1 1 11 4323 1 1 2 LYS CG C 2.941 -9.156 7.719 1.00 . A A . 30 LYS CG 1 1 11 4324 1 1 2 LYS H H 4.401 -7.494 8.146 1.00 . A A . 30 LYS H 1 1 11 4325 1 1 2 LYS HA H 6.053 -9.157 6.348 1.00 . A A . 30 LYS HA 1 1 11 4326 1 1 2 LYS HB2 H 3.699 -10.297 6.064 1.00 . A A . 30 LYS HB2 1 1 11 4327 1 1 2 LYS HB3 H 4.594 -10.516 7.568 1.00 . A A . 30 LYS HB3 1 1 11 4328 1 1 2 LYS HD2 H 1.001 -9.851 7.120 1.00 . A A . 30 LYS HD2 1 1 11 4329 1 1 2 LYS HD3 H 2.122 -11.135 7.576 1.00 . A A . 30 LYS HD3 1 1 11 4330 1 1 2 LYS HE2 H 1.256 -9.124 9.634 1.00 . A A . 30 LYS HE2 1 1 11 4331 1 1 2 LYS HE3 H 0.190 -10.468 9.226 1.00 . A A . 30 LYS HE3 1 1 11 4332 1 1 2 LYS HG2 H 3.281 -8.899 8.712 1.00 . A A . 30 LYS HG2 1 1 11 4333 1 1 2 LYS HG3 H 2.614 -8.263 7.208 1.00 . A A . 30 LYS HG3 1 1 11 4334 1 1 2 LYS HZ1 H 2.953 -11.195 9.657 1.00 . A A . 30 LYS HZ1 1 1 11 4335 1 1 2 LYS HZ2 H 1.535 -11.943 10.209 1.00 . A A . 30 LYS HZ2 1 1 11 4336 1 1 2 LYS HZ3 H 2.160 -10.596 11.035 1.00 . A A . 30 LYS HZ3 1 1 11 4337 1 1 2 LYS N N 5.174 -7.677 7.572 1.00 . A A . 30 LYS N 1 1 11 4338 1 1 2 LYS NZ N 2.027 -11.034 10.100 1.00 . A A . 30 LYS NZ 1 1 11 4339 1 1 2 LYS O O 3.907 -7.068 5.223 1.00 . A A . 30 LYS O 1 1 11 4340 1 1 3 PRO C C 3.078 -7.684 2.726 1.00 . A A . 31 PRO C 1 1 11 4341 1 1 3 PRO CA C 4.542 -8.132 2.754 1.00 . A A . 31 PRO CA 1 1 11 4342 1 1 3 PRO CB C 4.753 -9.332 1.832 1.00 . A A . 31 PRO CB 1 1 11 4343 1 1 3 PRO CD C 5.774 -9.858 3.982 1.00 . A A . 31 PRO CD 1 1 11 4344 1 1 3 PRO CG C 5.827 -10.148 2.478 1.00 . A A . 31 PRO CG 1 1 11 4345 1 1 3 PRO HA H 5.189 -7.325 2.450 1.00 . A A . 31 PRO HA 1 1 11 4346 1 1 3 PRO HB2 H 3.840 -9.907 1.752 1.00 . A A . 31 PRO HB2 1 1 11 4347 1 1 3 PRO HB3 H 5.077 -9.003 0.857 1.00 . A A . 31 PRO HB3 1 1 11 4348 1 1 3 PRO HD2 H 5.313 -10.683 4.509 1.00 . A A . 31 PRO HD2 1 1 11 4349 1 1 3 PRO HD3 H 6.765 -9.669 4.364 1.00 . A A . 31 PRO HD3 1 1 11 4350 1 1 3 PRO HG2 H 5.649 -11.199 2.294 1.00 . A A . 31 PRO HG2 1 1 11 4351 1 1 3 PRO HG3 H 6.792 -9.863 2.089 1.00 . A A . 31 PRO HG3 1 1 11 4352 1 1 3 PRO N N 4.946 -8.646 4.091 1.00 . A A . 31 PRO N 1 1 11 4353 1 1 3 PRO O O 2.191 -8.446 2.398 1.00 . A A . 31 PRO O 1 1 11 4354 1 1 4 PHE C C 1.027 -5.518 1.654 1.00 . A A . 32 PHE C 1 1 11 4355 1 1 4 PHE CA C 1.414 -5.957 3.068 1.00 . A A . 32 PHE CA 1 1 11 4356 1 1 4 PHE CB C 1.291 -4.764 4.020 1.00 . A A . 32 PHE CB 1 1 11 4357 1 1 4 PHE CD1 C -0.734 -5.420 5.368 1.00 . A A . 32 PHE CD1 1 1 11 4358 1 1 4 PHE CD2 C 1.437 -5.420 6.449 1.00 . A A . 32 PHE CD2 1 1 11 4359 1 1 4 PHE CE1 C -1.330 -5.834 6.564 1.00 . A A . 32 PHE CE1 1 1 11 4360 1 1 4 PHE CE2 C 0.841 -5.834 7.646 1.00 . A A . 32 PHE CE2 1 1 11 4361 1 1 4 PHE CG C 0.649 -5.212 5.310 1.00 . A A . 32 PHE CG 1 1 11 4362 1 1 4 PHE CZ C -0.542 -6.042 7.704 1.00 . A A . 32 PHE CZ 1 1 11 4363 1 1 4 PHE H H 3.549 -5.853 3.335 1.00 . A A . 32 PHE H 1 1 11 4364 1 1 4 PHE HA H 0.753 -6.745 3.394 1.00 . A A . 32 PHE HA 1 1 11 4365 1 1 4 PHE HB2 H 2.274 -4.365 4.225 1.00 . A A . 32 PHE HB2 1 1 11 4366 1 1 4 PHE HB3 H 0.682 -4.000 3.561 1.00 . A A . 32 PHE HB3 1 1 11 4367 1 1 4 PHE HD1 H -1.342 -5.261 4.489 1.00 . A A . 32 PHE HD1 1 1 11 4368 1 1 4 PHE HD2 H 2.503 -5.259 6.404 1.00 . A A . 32 PHE HD2 1 1 11 4369 1 1 4 PHE HE1 H -2.397 -5.995 6.609 1.00 . A A . 32 PHE HE1 1 1 11 4370 1 1 4 PHE HE2 H 1.448 -5.994 8.524 1.00 . A A . 32 PHE HE2 1 1 11 4371 1 1 4 PHE HZ H -1.002 -6.362 8.627 1.00 . A A . 32 PHE HZ 1 1 11 4372 1 1 4 PHE N N 2.819 -6.451 3.071 1.00 . A A . 32 PHE N 1 1 11 4373 1 1 4 PHE O O 1.644 -4.648 1.073 1.00 . A A . 32 PHE O 1 1 11 4374 1 1 5 SER C C -1.754 -4.977 -0.199 1.00 . A A . 33 SER C 1 1 11 4375 1 1 5 SER CA C -0.421 -5.724 -0.275 1.00 . A A . 33 SER CA 1 1 11 4376 1 1 5 SER CB C -0.587 -6.980 -1.133 1.00 . A A . 33 SER CB 1 1 11 4377 1 1 5 SER H H -0.480 -6.810 1.585 1.00 . A A . 33 SER H 1 1 11 4378 1 1 5 SER HA H 0.327 -5.082 -0.716 1.00 . A A . 33 SER HA 1 1 11 4379 1 1 5 SER HB2 H -1.396 -6.838 -1.829 1.00 . A A . 33 SER HB2 1 1 11 4380 1 1 5 SER HB3 H 0.329 -7.162 -1.681 1.00 . A A . 33 SER HB3 1 1 11 4381 1 1 5 SER HG H -0.824 -7.791 0.619 1.00 . A A . 33 SER HG 1 1 11 4382 1 1 5 SER N N 0.007 -6.112 1.098 1.00 . A A . 33 SER N 1 1 11 4383 1 1 5 SER O O -2.486 -5.093 0.764 1.00 . A A . 33 SER O 1 1 11 4384 1 1 5 SER OG O -0.879 -8.088 -0.291 1.00 . A A . 33 SER OG 1 1 11 4385 1 1 6 CYS C C -4.514 -4.405 -1.521 1.00 . A A . 34 CYS C 1 1 11 4386 1 1 6 CYS CA C -3.362 -3.458 -1.183 1.00 . A A . 34 CYS CA 1 1 11 4387 1 1 6 CYS CB C -3.312 -2.328 -2.213 1.00 . A A . 34 CYS CB 1 1 11 4388 1 1 6 CYS H H -1.472 -4.129 -1.971 1.00 . A A . 34 CYS H 1 1 11 4389 1 1 6 CYS HA H -3.517 -3.040 -0.198 1.00 . A A . 34 CYS HA 1 1 11 4390 1 1 6 CYS HB2 H -2.457 -1.699 -2.018 1.00 . A A . 34 CYS HB2 1 1 11 4391 1 1 6 CYS HB3 H -3.233 -2.750 -3.205 1.00 . A A . 34 CYS HB3 1 1 11 4392 1 1 6 CYS N N -2.076 -4.210 -1.204 1.00 . A A . 34 CYS N 1 1 11 4393 1 1 6 CYS O O -4.319 -5.584 -1.734 1.00 . A A . 34 CYS O 1 1 11 4394 1 1 6 CYS SG S -4.827 -1.343 -2.097 1.00 . A A . 34 CYS SG 1 1 11 4395 1 1 7 SER C C -7.037 -4.869 -3.415 1.00 . A A . 35 SER C 1 1 11 4396 1 1 7 SER CA C -6.880 -4.768 -1.896 1.00 . A A . 35 SER CA 1 1 11 4397 1 1 7 SER CB C -8.149 -4.169 -1.291 1.00 . A A . 35 SER CB 1 1 11 4398 1 1 7 SER H H -5.851 -2.942 -1.397 1.00 . A A . 35 SER H 1 1 11 4399 1 1 7 SER HA H -6.716 -5.754 -1.485 1.00 . A A . 35 SER HA 1 1 11 4400 1 1 7 SER HB2 H -8.985 -4.820 -1.485 1.00 . A A . 35 SER HB2 1 1 11 4401 1 1 7 SER HB3 H -8.020 -4.061 -0.222 1.00 . A A . 35 SER HB3 1 1 11 4402 1 1 7 SER HG H -8.321 -2.233 -1.194 1.00 . A A . 35 SER HG 1 1 11 4403 1 1 7 SER N N -5.716 -3.897 -1.573 1.00 . A A . 35 SER N 1 1 11 4404 1 1 7 SER O O -6.850 -5.918 -4.000 1.00 . A A . 35 SER O 1 1 11 4405 1 1 7 SER OG O -8.398 -2.900 -1.881 1.00 . A A . 35 SER OG 1 1 11 4406 1 1 8 LEU C C -6.451 -3.005 -6.207 1.00 . A A . 36 LEU C 1 1 11 4407 1 1 8 LEU CA C -7.555 -3.827 -5.540 1.00 . A A . 36 LEU CA 1 1 11 4408 1 1 8 LEU CB C -8.920 -3.246 -5.911 1.00 . A A . 36 LEU CB 1 1 11 4409 1 1 8 LEU CD1 C -9.350 -4.969 -7.666 1.00 . A A . 36 LEU CD1 1 1 11 4410 1 1 8 LEU CD2 C -10.455 -2.733 -7.812 1.00 . A A . 36 LEU CD2 1 1 11 4411 1 1 8 LEU CG C -9.181 -3.471 -7.400 1.00 . A A . 36 LEU CG 1 1 11 4412 1 1 8 LEU H H -7.533 -2.952 -3.571 1.00 . A A . 36 LEU H 1 1 11 4413 1 1 8 LEU HA H -7.497 -4.851 -5.881 1.00 . A A . 36 LEU HA 1 1 11 4414 1 1 8 LEU HB2 H -9.690 -3.735 -5.330 1.00 . A A . 36 LEU HB2 1 1 11 4415 1 1 8 LEU HB3 H -8.929 -2.186 -5.702 1.00 . A A . 36 LEU HB3 1 1 11 4416 1 1 8 LEU HD11 H -8.459 -5.353 -8.138 1.00 . A A . 36 LEU HD11 1 1 11 4417 1 1 8 LEU HD12 H -10.198 -5.125 -8.316 1.00 . A A . 36 LEU HD12 1 1 11 4418 1 1 8 LEU HD13 H -9.513 -5.484 -6.731 1.00 . A A . 36 LEU HD13 1 1 11 4419 1 1 8 LEU HD21 H -10.292 -2.228 -8.752 1.00 . A A . 36 LEU HD21 1 1 11 4420 1 1 8 LEU HD22 H -10.712 -2.007 -7.053 1.00 . A A . 36 LEU HD22 1 1 11 4421 1 1 8 LEU HD23 H -11.264 -3.441 -7.919 1.00 . A A . 36 LEU HD23 1 1 11 4422 1 1 8 LEU HG H -8.344 -3.097 -7.972 1.00 . A A . 36 LEU HG 1 1 11 4423 1 1 8 LEU N N -7.385 -3.788 -4.060 1.00 . A A . 36 LEU N 1 1 11 4424 1 1 8 LEU O O -6.579 -1.812 -6.392 1.00 . A A . 36 LEU O 1 1 11 4425 1 1 9 CYS C C -2.931 -3.631 -6.941 1.00 . A A . 37 CYS C 1 1 11 4426 1 1 9 CYS CA C -4.249 -2.907 -7.231 1.00 . A A . 37 CYS CA 1 1 11 4427 1 1 9 CYS CB C -4.169 -1.477 -6.689 1.00 . A A . 37 CYS CB 1 1 11 4428 1 1 9 CYS H H -5.295 -4.604 -6.413 1.00 . A A . 37 CYS H 1 1 11 4429 1 1 9 CYS HA H -4.418 -2.879 -8.297 1.00 . A A . 37 CYS HA 1 1 11 4430 1 1 9 CYS HB2 H -3.168 -1.095 -6.833 1.00 . A A . 37 CYS HB2 1 1 11 4431 1 1 9 CYS HB3 H -4.871 -0.851 -7.220 1.00 . A A . 37 CYS HB3 1 1 11 4432 1 1 9 CYS N N -5.370 -3.639 -6.571 1.00 . A A . 37 CYS N 1 1 11 4433 1 1 9 CYS O O -2.329 -3.444 -5.902 1.00 . A A . 37 CYS O 1 1 11 4434 1 1 9 CYS SG S -4.566 -1.468 -4.922 1.00 . A A . 37 CYS SG 1 1 11 4435 1 1 10 PRO C C -0.056 -4.339 -7.237 1.00 . A A . 38 PRO C 1 1 11 4436 1 1 10 PRO CA C -1.218 -5.223 -7.698 1.00 . A A . 38 PRO CA 1 1 11 4437 1 1 10 PRO CB C -0.947 -5.770 -9.099 1.00 . A A . 38 PRO CB 1 1 11 4438 1 1 10 PRO CD C -3.145 -4.742 -9.139 1.00 . A A . 38 PRO CD 1 1 11 4439 1 1 10 PRO CG C -2.284 -5.844 -9.761 1.00 . A A . 38 PRO CG 1 1 11 4440 1 1 10 PRO HA H -1.360 -6.042 -7.012 1.00 . A A . 38 PRO HA 1 1 11 4441 1 1 10 PRO HB2 H -0.294 -5.101 -9.641 1.00 . A A . 38 PRO HB2 1 1 11 4442 1 1 10 PRO HB3 H -0.511 -6.754 -9.039 1.00 . A A . 38 PRO HB3 1 1 11 4443 1 1 10 PRO HD2 H -3.148 -3.865 -9.772 1.00 . A A . 38 PRO HD2 1 1 11 4444 1 1 10 PRO HD3 H -4.151 -5.095 -8.972 1.00 . A A . 38 PRO HD3 1 1 11 4445 1 1 10 PRO HG2 H -2.177 -5.681 -10.825 1.00 . A A . 38 PRO HG2 1 1 11 4446 1 1 10 PRO HG3 H -2.736 -6.806 -9.576 1.00 . A A . 38 PRO HG3 1 1 11 4447 1 1 10 PRO N N -2.487 -4.454 -7.855 1.00 . A A . 38 PRO N 1 1 11 4448 1 1 10 PRO O O 0.803 -3.972 -8.013 1.00 . A A . 38 PRO O 1 1 11 4449 1 1 11 GLN C C 1.322 -3.443 -3.987 1.00 . A A . 39 GLN C 1 1 11 4450 1 1 11 GLN CA C 1.083 -3.138 -5.467 1.00 . A A . 39 GLN CA 1 1 11 4451 1 1 11 GLN CB C 0.706 -1.664 -5.633 1.00 . A A . 39 GLN CB 1 1 11 4452 1 1 11 GLN CD C -0.935 0.086 -4.937 1.00 . A A . 39 GLN CD 1 1 11 4453 1 1 11 GLN CG C -0.361 -1.291 -4.602 1.00 . A A . 39 GLN CG 1 1 11 4454 1 1 11 GLN H H -0.727 -4.302 -5.368 1.00 . A A . 39 GLN H 1 1 11 4455 1 1 11 GLN HA H 1.984 -3.344 -6.026 1.00 . A A . 39 GLN HA 1 1 11 4456 1 1 11 GLN HB2 H 1.582 -1.050 -5.484 1.00 . A A . 39 GLN HB2 1 1 11 4457 1 1 11 GLN HB3 H 0.316 -1.502 -6.626 1.00 . A A . 39 GLN HB3 1 1 11 4458 1 1 11 GLN HE21 H -1.551 -0.454 -6.746 1.00 . A A . 39 GLN HE21 1 1 11 4459 1 1 11 GLN HE22 H -1.869 1.159 -6.322 1.00 . A A . 39 GLN HE22 1 1 11 4460 1 1 11 GLN HG2 H -1.153 -2.027 -4.621 1.00 . A A . 39 GLN HG2 1 1 11 4461 1 1 11 GLN HG3 H 0.082 -1.265 -3.618 1.00 . A A . 39 GLN HG3 1 1 11 4462 1 1 11 GLN N N -0.023 -3.995 -5.978 1.00 . A A . 39 GLN N 1 1 11 4463 1 1 11 GLN NE2 N -1.498 0.280 -6.099 1.00 . A A . 39 GLN NE2 1 1 11 4464 1 1 11 GLN O O 0.395 -3.669 -3.233 1.00 . A A . 39 GLN O 1 1 11 4465 1 1 11 GLN OE1 O -0.869 0.995 -4.135 1.00 . A A . 39 GLN OE1 1 1 11 4466 1 1 12 ARG C C 3.517 -2.538 -1.482 1.00 . A A . 40 ARG C 1 1 11 4467 1 1 12 ARG CA C 2.852 -3.752 -2.134 1.00 . A A . 40 ARG CA 1 1 11 4468 1 1 12 ARG CB C 3.796 -4.952 -2.045 1.00 . A A . 40 ARG CB 1 1 11 4469 1 1 12 ARG CD C 3.849 -7.407 -2.491 1.00 . A A . 40 ARG CD 1 1 11 4470 1 1 12 ARG CG C 2.981 -6.246 -2.004 1.00 . A A . 40 ARG CG 1 1 11 4471 1 1 12 ARG CZ C 3.443 -9.770 -2.820 1.00 . A A . 40 ARG CZ 1 1 11 4472 1 1 12 ARG H H 3.291 -3.274 -4.188 1.00 . A A . 40 ARG H 1 1 11 4473 1 1 12 ARG HA H 1.932 -3.978 -1.617 1.00 . A A . 40 ARG HA 1 1 11 4474 1 1 12 ARG HB2 H 4.447 -4.962 -2.907 1.00 . A A . 40 ARG HB2 1 1 11 4475 1 1 12 ARG HB3 H 4.390 -4.876 -1.146 1.00 . A A . 40 ARG HB3 1 1 11 4476 1 1 12 ARG HD2 H 3.950 -7.356 -3.565 1.00 . A A . 40 ARG HD2 1 1 11 4477 1 1 12 ARG HD3 H 4.827 -7.341 -2.035 1.00 . A A . 40 ARG HD3 1 1 11 4478 1 1 12 ARG HE H 2.621 -8.743 -1.333 1.00 . A A . 40 ARG HE 1 1 11 4479 1 1 12 ARG HG2 H 2.658 -6.436 -0.991 1.00 . A A . 40 ARG HG2 1 1 11 4480 1 1 12 ARG HG3 H 2.118 -6.150 -2.647 1.00 . A A . 40 ARG HG3 1 1 11 4481 1 1 12 ARG HH11 H 4.653 -8.838 -4.115 1.00 . A A . 40 ARG HH11 1 1 11 4482 1 1 12 ARG HH12 H 4.406 -10.529 -4.402 1.00 . A A . 40 ARG HH12 1 1 11 4483 1 1 12 ARG HH21 H 2.286 -10.952 -1.691 1.00 . A A . 40 ARG HH21 1 1 11 4484 1 1 12 ARG HH22 H 3.066 -11.725 -3.030 1.00 . A A . 40 ARG HH22 1 1 11 4485 1 1 12 ARG N N 2.557 -3.456 -3.565 1.00 . A A . 40 ARG N 1 1 11 4486 1 1 12 ARG NE N 3.212 -8.699 -2.113 1.00 . A A . 40 ARG NE 1 1 11 4487 1 1 12 ARG NH1 N 4.229 -9.708 -3.860 1.00 . A A . 40 ARG NH1 1 1 11 4488 1 1 12 ARG NH2 N 2.888 -10.904 -2.488 1.00 . A A . 40 ARG NH2 1 1 11 4489 1 1 12 ARG O O 4.021 -1.658 -2.151 1.00 . A A . 40 ARG O 1 1 11 4490 1 1 13 SER C C 4.816 -1.819 1.815 1.00 . A A . 41 SER C 1 1 11 4491 1 1 13 SER CA C 4.160 -1.334 0.521 1.00 . A A . 41 SER CA 1 1 11 4492 1 1 13 SER CB C 3.095 -0.287 0.853 1.00 . A A . 41 SER CB 1 1 11 4493 1 1 13 SER H H 3.113 -3.209 0.343 1.00 . A A . 41 SER H 1 1 11 4494 1 1 13 SER HA H 4.909 -0.893 -0.120 1.00 . A A . 41 SER HA 1 1 11 4495 1 1 13 SER HB2 H 3.482 0.402 1.585 1.00 . A A . 41 SER HB2 1 1 11 4496 1 1 13 SER HB3 H 2.834 0.255 -0.046 1.00 . A A . 41 SER HB3 1 1 11 4497 1 1 13 SER HG H 1.570 -1.484 0.690 1.00 . A A . 41 SER HG 1 1 11 4498 1 1 13 SER N N 3.525 -2.487 -0.177 1.00 . A A . 41 SER N 1 1 11 4499 1 1 13 SER O O 4.380 -2.778 2.421 1.00 . A A . 41 SER O 1 1 11 4500 1 1 13 SER OG O 1.946 -0.937 1.382 1.00 . A A . 41 SER OG 1 1 11 4501 1 1 14 ARG C C 5.915 -0.859 4.689 1.00 . A A . 42 ARG C 1 1 11 4502 1 1 14 ARG CA C 6.541 -1.590 3.501 1.00 . A A . 42 ARG CA 1 1 11 4503 1 1 14 ARG CB C 8.030 -1.246 3.418 1.00 . A A . 42 ARG CB 1 1 11 4504 1 1 14 ARG CD C 9.736 -1.669 1.642 1.00 . A A . 42 ARG CD 1 1 11 4505 1 1 14 ARG CG C 8.761 -2.327 2.621 1.00 . A A . 42 ARG CG 1 1 11 4506 1 1 14 ARG CZ C 9.498 -0.832 -0.619 1.00 . A A . 42 ARG CZ 1 1 11 4507 1 1 14 ARG H H 6.197 -0.393 1.743 1.00 . A A . 42 ARG H 1 1 11 4508 1 1 14 ARG HA H 6.424 -2.655 3.631 1.00 . A A . 42 ARG HA 1 1 11 4509 1 1 14 ARG HB2 H 8.152 -0.291 2.926 1.00 . A A . 42 ARG HB2 1 1 11 4510 1 1 14 ARG HB3 H 8.443 -1.194 4.414 1.00 . A A . 42 ARG HB3 1 1 11 4511 1 1 14 ARG HD2 H 10.341 -0.947 2.169 1.00 . A A . 42 ARG HD2 1 1 11 4512 1 1 14 ARG HD3 H 10.373 -2.425 1.206 1.00 . A A . 42 ARG HD3 1 1 11 4513 1 1 14 ARG HE H 8.066 -0.647 0.744 1.00 . A A . 42 ARG HE 1 1 11 4514 1 1 14 ARG HG2 H 9.308 -2.967 3.299 1.00 . A A . 42 ARG HG2 1 1 11 4515 1 1 14 ARG HG3 H 8.043 -2.917 2.070 1.00 . A A . 42 ARG HG3 1 1 11 4516 1 1 14 ARG HH11 H 11.218 -1.733 -0.131 1.00 . A A . 42 ARG HH11 1 1 11 4517 1 1 14 ARG HH12 H 11.108 -1.161 -1.762 1.00 . A A . 42 ARG HH12 1 1 11 4518 1 1 14 ARG HH21 H 7.903 0.108 -1.381 1.00 . A A . 42 ARG HH21 1 1 11 4519 1 1 14 ARG HH22 H 9.231 -0.117 -2.470 1.00 . A A . 42 ARG HH22 1 1 11 4520 1 1 14 ARG N N 5.861 -1.164 2.245 1.00 . A A . 42 ARG N 1 1 11 4521 1 1 14 ARG NE N 8.969 -0.984 0.564 1.00 . A A . 42 ARG NE 1 1 11 4522 1 1 14 ARG NH1 N 10.702 -1.277 -0.855 1.00 . A A . 42 ARG NH1 1 1 11 4523 1 1 14 ARG NH2 N 8.825 -0.233 -1.563 1.00 . A A . 42 ARG NH2 1 1 11 4524 1 1 14 ARG O O 5.605 -1.453 5.703 1.00 . A A . 42 ARG O 1 1 11 4525 1 1 15 ASP C C 3.740 1.708 5.269 1.00 . A A . 43 ASP C 1 1 11 4526 1 1 15 ASP CA C 5.117 1.194 5.694 1.00 . A A . 43 ASP CA 1 1 11 4527 1 1 15 ASP CB C 6.017 2.381 6.047 1.00 . A A . 43 ASP CB 1 1 11 4528 1 1 15 ASP CG C 5.952 2.639 7.553 1.00 . A A . 43 ASP CG 1 1 11 4529 1 1 15 ASP H H 5.981 0.887 3.745 1.00 . A A . 43 ASP H 1 1 11 4530 1 1 15 ASP HA H 5.012 0.552 6.556 1.00 . A A . 43 ASP HA 1 1 11 4531 1 1 15 ASP HB2 H 7.034 2.158 5.762 1.00 . A A . 43 ASP HB2 1 1 11 4532 1 1 15 ASP HB3 H 5.678 3.259 5.519 1.00 . A A . 43 ASP HB3 1 1 11 4533 1 1 15 ASP N N 5.725 0.427 4.572 1.00 . A A . 43 ASP N 1 1 11 4534 1 1 15 ASP O O 3.427 1.773 4.097 1.00 . A A . 43 ASP O 1 1 11 4535 1 1 15 ASP OD1 O 5.005 3.275 7.986 1.00 . A A . 43 ASP OD1 1 1 11 4536 1 1 15 ASP OD2 O 6.852 2.198 8.249 1.00 . A A . 43 ASP OD2 1 1 11 4537 1 1 16 PHE C C 1.698 3.927 5.135 1.00 . A A . 44 PHE C 1 1 11 4538 1 1 16 PHE CA C 1.561 2.583 5.853 1.00 . A A . 44 PHE CA 1 1 11 4539 1 1 16 PHE CB C 0.728 2.763 7.124 1.00 . A A . 44 PHE CB 1 1 11 4540 1 1 16 PHE CD1 C -1.238 1.441 6.266 1.00 . A A . 44 PHE CD1 1 1 11 4541 1 1 16 PHE CD2 C -1.598 3.726 6.995 1.00 . A A . 44 PHE CD2 1 1 11 4542 1 1 16 PHE CE1 C -2.598 1.328 5.953 1.00 . A A . 44 PHE CE1 1 1 11 4543 1 1 16 PHE CE2 C -2.958 3.612 6.684 1.00 . A A . 44 PHE CE2 1 1 11 4544 1 1 16 PHE CG C -0.738 2.640 6.786 1.00 . A A . 44 PHE CG 1 1 11 4545 1 1 16 PHE CZ C -3.458 2.412 6.163 1.00 . A A . 44 PHE CZ 1 1 11 4546 1 1 16 PHE H H 3.184 2.015 7.151 1.00 . A A . 44 PHE H 1 1 11 4547 1 1 16 PHE HA H 1.071 1.875 5.200 1.00 . A A . 44 PHE HA 1 1 11 4548 1 1 16 PHE HB2 H 0.999 2.003 7.842 1.00 . A A . 44 PHE HB2 1 1 11 4549 1 1 16 PHE HB3 H 0.920 3.739 7.544 1.00 . A A . 44 PHE HB3 1 1 11 4550 1 1 16 PHE HD1 H -0.576 0.605 6.102 1.00 . A A . 44 PHE HD1 1 1 11 4551 1 1 16 PHE HD2 H -1.212 4.651 7.397 1.00 . A A . 44 PHE HD2 1 1 11 4552 1 1 16 PHE HE1 H -2.984 0.403 5.551 1.00 . A A . 44 PHE HE1 1 1 11 4553 1 1 16 PHE HE2 H -3.620 4.449 6.845 1.00 . A A . 44 PHE HE2 1 1 11 4554 1 1 16 PHE HZ H -4.507 2.325 5.922 1.00 . A A . 44 PHE HZ 1 1 11 4555 1 1 16 PHE N N 2.914 2.073 6.210 1.00 . A A . 44 PHE N 1 1 11 4556 1 1 16 PHE O O 0.931 4.250 4.250 1.00 . A A . 44 PHE O 1 1 11 4557 1 1 17 SER C C 2.848 5.839 3.326 1.00 . A A . 45 SER C 1 1 11 4558 1 1 17 SER CA C 2.859 6.033 4.843 1.00 . A A . 45 SER CA 1 1 11 4559 1 1 17 SER CB C 4.197 6.636 5.271 1.00 . A A . 45 SER CB 1 1 11 4560 1 1 17 SER H H 3.281 4.432 6.222 1.00 . A A . 45 SER H 1 1 11 4561 1 1 17 SER HA H 2.055 6.696 5.128 1.00 . A A . 45 SER HA 1 1 11 4562 1 1 17 SER HB2 H 4.325 6.516 6.334 1.00 . A A . 45 SER HB2 1 1 11 4563 1 1 17 SER HB3 H 5.000 6.128 4.754 1.00 . A A . 45 SER HB3 1 1 11 4564 1 1 17 SER HG H 5.103 8.256 4.690 1.00 . A A . 45 SER HG 1 1 11 4565 1 1 17 SER N N 2.672 4.713 5.507 1.00 . A A . 45 SER N 1 1 11 4566 1 1 17 SER O O 2.051 6.425 2.620 1.00 . A A . 45 SER O 1 1 11 4567 1 1 17 SER OG O 4.210 8.021 4.951 1.00 . A A . 45 SER OG 1 1 11 4568 1 1 18 ALA C C 2.454 4.132 0.911 1.00 . A A . 46 ALA C 1 1 11 4569 1 1 18 ALA CA C 3.766 4.785 1.350 1.00 . A A . 46 ALA CA 1 1 11 4570 1 1 18 ALA CB C 4.935 3.858 1.011 1.00 . A A . 46 ALA CB 1 1 11 4571 1 1 18 ALA H H 4.360 4.554 3.406 1.00 . A A . 46 ALA H 1 1 11 4572 1 1 18 ALA HA H 3.889 5.727 0.835 1.00 . A A . 46 ALA HA 1 1 11 4573 1 1 18 ALA HB1 H 4.985 3.061 1.738 1.00 . A A . 46 ALA HB1 1 1 11 4574 1 1 18 ALA HB2 H 5.857 4.419 1.030 1.00 . A A . 46 ALA HB2 1 1 11 4575 1 1 18 ALA HB3 H 4.789 3.438 0.027 1.00 . A A . 46 ALA HB3 1 1 11 4576 1 1 18 ALA N N 3.727 5.019 2.820 1.00 . A A . 46 ALA N 1 1 11 4577 1 1 18 ALA O O 1.957 4.378 -0.171 1.00 . A A . 46 ALA O 1 1 11 4578 1 1 19 MET C C -0.515 3.671 1.355 1.00 . A A . 47 MET C 1 1 11 4579 1 1 19 MET CA C 0.609 2.635 1.378 1.00 . A A . 47 MET CA 1 1 11 4580 1 1 19 MET CB C 0.282 1.554 2.411 1.00 . A A . 47 MET CB 1 1 11 4581 1 1 19 MET CE C -2.227 -1.593 2.482 1.00 . A A . 47 MET CE 1 1 11 4582 1 1 19 MET CG C -0.842 0.662 1.880 1.00 . A A . 47 MET CG 1 1 11 4583 1 1 19 MET H H 2.306 3.119 2.612 1.00 . A A . 47 MET H 1 1 11 4584 1 1 19 MET HA H 0.704 2.184 0.401 1.00 . A A . 47 MET HA 1 1 11 4585 1 1 19 MET HB2 H 1.161 0.954 2.595 1.00 . A A . 47 MET HB2 1 1 11 4586 1 1 19 MET HB3 H -0.036 2.019 3.331 1.00 . A A . 47 MET HB3 1 1 11 4587 1 1 19 MET HE1 H -2.704 -1.564 1.511 1.00 . A A . 47 MET HE1 1 1 11 4588 1 1 19 MET HE2 H -2.747 -0.933 3.164 1.00 . A A . 47 MET HE2 1 1 11 4589 1 1 19 MET HE3 H -2.260 -2.600 2.866 1.00 . A A . 47 MET HE3 1 1 11 4590 1 1 19 MET HG2 H -1.781 0.969 2.316 1.00 . A A . 47 MET HG2 1 1 11 4591 1 1 19 MET HG3 H -0.898 0.753 0.805 1.00 . A A . 47 MET HG3 1 1 11 4592 1 1 19 MET N N 1.889 3.301 1.744 1.00 . A A . 47 MET N 1 1 11 4593 1 1 19 MET O O -1.474 3.544 0.621 1.00 . A A . 47 MET O 1 1 11 4594 1 1 19 MET SD S -0.506 -1.060 2.323 1.00 . A A . 47 MET SD 1 1 11 4595 1 1 20 THR C C -1.437 6.523 0.861 1.00 . A A . 48 THR C 1 1 11 4596 1 1 20 THR CA C -1.470 5.740 2.172 1.00 . A A . 48 THR CA 1 1 11 4597 1 1 20 THR CB C -1.238 6.697 3.340 1.00 . A A . 48 THR CB 1 1 11 4598 1 1 20 THR CG2 C -1.448 5.954 4.661 1.00 . A A . 48 THR CG2 1 1 11 4599 1 1 20 THR H H 0.376 4.785 2.739 1.00 . A A . 48 THR H 1 1 11 4600 1 1 20 THR HA H -2.434 5.265 2.283 1.00 . A A . 48 THR HA 1 1 11 4601 1 1 20 THR HB H -1.939 7.514 3.275 1.00 . A A . 48 THR HB 1 1 11 4602 1 1 20 THR HG1 H 0.400 7.109 2.378 1.00 . A A . 48 THR HG1 1 1 11 4603 1 1 20 THR HG21 H -0.653 6.209 5.347 1.00 . A A . 48 THR HG21 1 1 11 4604 1 1 20 THR HG22 H -1.443 4.890 4.481 1.00 . A A . 48 THR HG22 1 1 11 4605 1 1 20 THR HG23 H -2.397 6.242 5.089 1.00 . A A . 48 THR HG23 1 1 11 4606 1 1 20 THR N N -0.405 4.700 2.154 1.00 . A A . 48 THR N 1 1 11 4607 1 1 20 THR O O -2.449 6.704 0.212 1.00 . A A . 48 THR O 1 1 11 4608 1 1 20 THR OG1 O 0.088 7.201 3.281 1.00 . A A . 48 THR OG1 1 1 11 4609 1 1 21 LYS C C -0.878 6.898 -1.900 1.00 . A A . 49 LYS C 1 1 11 4610 1 1 21 LYS CA C -0.207 7.737 -0.825 1.00 . A A . 49 LYS CA 1 1 11 4611 1 1 21 LYS CB C 1.255 7.969 -1.208 1.00 . A A . 49 LYS CB 1 1 11 4612 1 1 21 LYS CD C 2.450 10.132 -0.836 1.00 . A A . 49 LYS CD 1 1 11 4613 1 1 21 LYS CE C 3.073 11.049 0.217 1.00 . A A . 49 LYS CE 1 1 11 4614 1 1 21 LYS CG C 1.926 8.863 -0.162 1.00 . A A . 49 LYS CG 1 1 11 4615 1 1 21 LYS H H 0.526 6.817 0.981 1.00 . A A . 49 LYS H 1 1 11 4616 1 1 21 LYS HA H -0.718 8.684 -0.724 1.00 . A A . 49 LYS HA 1 1 11 4617 1 1 21 LYS HB2 H 1.767 7.019 -1.256 1.00 . A A . 49 LYS HB2 1 1 11 4618 1 1 21 LYS HB3 H 1.299 8.451 -2.174 1.00 . A A . 49 LYS HB3 1 1 11 4619 1 1 21 LYS HD2 H 3.195 9.868 -1.571 1.00 . A A . 49 LYS HD2 1 1 11 4620 1 1 21 LYS HD3 H 1.633 10.646 -1.320 1.00 . A A . 49 LYS HD3 1 1 11 4621 1 1 21 LYS HE2 H 4.019 10.640 0.537 1.00 . A A . 49 LYS HE2 1 1 11 4622 1 1 21 LYS HE3 H 3.230 12.030 -0.207 1.00 . A A . 49 LYS HE3 1 1 11 4623 1 1 21 LYS HG2 H 1.207 9.127 0.599 1.00 . A A . 49 LYS HG2 1 1 11 4624 1 1 21 LYS HG3 H 2.750 8.331 0.289 1.00 . A A . 49 LYS HG3 1 1 11 4625 1 1 21 LYS HZ1 H 1.293 11.662 1.108 1.00 . A A . 49 LYS HZ1 1 1 11 4626 1 1 21 LYS HZ2 H 2.629 11.676 2.153 1.00 . A A . 49 LYS HZ2 1 1 11 4627 1 1 21 LYS HZ3 H 1.906 10.201 1.719 1.00 . A A . 49 LYS HZ3 1 1 11 4628 1 1 21 LYS N N -0.284 6.981 0.454 1.00 . A A . 49 LYS N 1 1 11 4629 1 1 21 LYS NZ N 2.156 11.156 1.388 1.00 . A A . 49 LYS NZ 1 1 11 4630 1 1 21 LYS O O -1.597 7.396 -2.744 1.00 . A A . 49 LYS O 1 1 11 4631 1 1 22 HIS C C -2.782 4.967 -2.890 1.00 . A A . 50 HIS C 1 1 11 4632 1 1 22 HIS CA C -1.273 4.717 -2.861 1.00 . A A . 50 HIS CA 1 1 11 4633 1 1 22 HIS CB C -1.001 3.265 -2.466 1.00 . A A . 50 HIS CB 1 1 11 4634 1 1 22 HIS CD2 C -2.788 1.381 -2.046 1.00 . A A . 50 HIS CD2 1 1 11 4635 1 1 22 HIS CE1 C -4.092 1.821 -3.718 1.00 . A A . 50 HIS CE1 1 1 11 4636 1 1 22 HIS CG C -2.234 2.444 -2.717 1.00 . A A . 50 HIS CG 1 1 11 4637 1 1 22 HIS H H -0.073 5.246 -1.163 1.00 . A A . 50 HIS H 1 1 11 4638 1 1 22 HIS HA H -0.853 4.912 -3.836 1.00 . A A . 50 HIS HA 1 1 11 4639 1 1 22 HIS HB2 H -0.181 2.878 -3.054 1.00 . A A . 50 HIS HB2 1 1 11 4640 1 1 22 HIS HB3 H -0.745 3.219 -1.418 1.00 . A A . 50 HIS HB3 1 1 11 4641 1 1 22 HIS HD1 H -2.968 3.406 -4.452 1.00 . A A . 50 HIS HD1 1 1 11 4642 1 1 22 HIS HD2 H -2.375 0.920 -1.161 1.00 . A A . 50 HIS HD2 1 1 11 4643 1 1 22 HIS HE1 H -4.913 1.795 -4.417 1.00 . A A . 50 HIS HE1 1 1 11 4644 1 1 22 HIS N N -0.652 5.618 -1.862 1.00 . A A . 50 HIS N 1 1 11 4645 1 1 22 HIS ND1 N -3.083 2.704 -3.779 1.00 . A A . 50 HIS ND1 1 1 11 4646 1 1 22 HIS NE2 N -3.963 0.990 -2.681 1.00 . A A . 50 HIS NE2 1 1 11 4647 1 1 22 HIS O O -3.372 5.139 -3.937 1.00 . A A . 50 HIS O 1 1 11 4648 1 1 23 LEU C C -5.177 6.552 -2.425 1.00 . A A . 51 LEU C 1 1 11 4649 1 1 23 LEU CA C -4.883 5.230 -1.720 1.00 . A A . 51 LEU CA 1 1 11 4650 1 1 23 LEU CB C -5.369 5.300 -0.271 1.00 . A A . 51 LEU CB 1 1 11 4651 1 1 23 LEU CD1 C -4.178 3.224 0.453 1.00 . A A . 51 LEU CD1 1 1 11 4652 1 1 23 LEU CD2 C -6.249 3.951 1.639 1.00 . A A . 51 LEU CD2 1 1 11 4653 1 1 23 LEU CG C -5.548 3.884 0.281 1.00 . A A . 51 LEU CG 1 1 11 4654 1 1 23 LEU H H -2.922 4.851 -0.907 1.00 . A A . 51 LEU H 1 1 11 4655 1 1 23 LEU HA H -5.390 4.426 -2.236 1.00 . A A . 51 LEU HA 1 1 11 4656 1 1 23 LEU HB2 H -4.642 5.830 0.326 1.00 . A A . 51 LEU HB2 1 1 11 4657 1 1 23 LEU HB3 H -6.315 5.819 -0.234 1.00 . A A . 51 LEU HB3 1 1 11 4658 1 1 23 LEU HD11 H -3.699 3.132 -0.510 1.00 . A A . 51 LEU HD11 1 1 11 4659 1 1 23 LEU HD12 H -4.302 2.243 0.889 1.00 . A A . 51 LEU HD12 1 1 11 4660 1 1 23 LEU HD13 H -3.567 3.831 1.102 1.00 . A A . 51 LEU HD13 1 1 11 4661 1 1 23 LEU HD21 H -5.516 4.107 2.416 1.00 . A A . 51 LEU HD21 1 1 11 4662 1 1 23 LEU HD22 H -6.775 3.025 1.820 1.00 . A A . 51 LEU HD22 1 1 11 4663 1 1 23 LEU HD23 H -6.954 4.770 1.640 1.00 . A A . 51 LEU HD23 1 1 11 4664 1 1 23 LEU HG H -6.143 3.300 -0.407 1.00 . A A . 51 LEU HG 1 1 11 4665 1 1 23 LEU N N -3.414 4.990 -1.746 1.00 . A A . 51 LEU N 1 1 11 4666 1 1 23 LEU O O -6.054 6.641 -3.262 1.00 . A A . 51 LEU O 1 1 11 4667 1 1 24 ARG C C -4.185 8.785 -4.222 1.00 . A A . 52 ARG C 1 1 11 4668 1 1 24 ARG CA C -4.664 8.890 -2.776 1.00 . A A . 52 ARG CA 1 1 11 4669 1 1 24 ARG CB C -3.873 9.981 -2.050 1.00 . A A . 52 ARG CB 1 1 11 4670 1 1 24 ARG CD C -3.327 12.390 -2.431 1.00 . A A . 52 ARG CD 1 1 11 4671 1 1 24 ARG CG C -4.451 11.353 -2.406 1.00 . A A . 52 ARG CG 1 1 11 4672 1 1 24 ARG CZ C -1.233 12.755 -1.269 1.00 . A A . 52 ARG CZ 1 1 11 4673 1 1 24 ARG H H -3.727 7.485 -1.439 1.00 . A A . 52 ARG H 1 1 11 4674 1 1 24 ARG HA H -5.716 9.130 -2.758 1.00 . A A . 52 ARG HA 1 1 11 4675 1 1 24 ARG HB2 H -3.943 9.827 -0.983 1.00 . A A . 52 ARG HB2 1 1 11 4676 1 1 24 ARG HB3 H -2.839 9.939 -2.354 1.00 . A A . 52 ARG HB3 1 1 11 4677 1 1 24 ARG HD2 H -2.957 12.496 -3.441 1.00 . A A . 52 ARG HD2 1 1 11 4678 1 1 24 ARG HD3 H -3.705 13.341 -2.085 1.00 . A A . 52 ARG HD3 1 1 11 4679 1 1 24 ARG HE H -2.230 11.042 -1.158 1.00 . A A . 52 ARG HE 1 1 11 4680 1 1 24 ARG HG2 H -4.920 11.305 -3.377 1.00 . A A . 52 ARG HG2 1 1 11 4681 1 1 24 ARG HG3 H -5.183 11.638 -1.665 1.00 . A A . 52 ARG HG3 1 1 11 4682 1 1 24 ARG HH11 H -1.961 14.256 -2.377 1.00 . A A . 52 ARG HH11 1 1 11 4683 1 1 24 ARG HH12 H -0.463 14.578 -1.573 1.00 . A A . 52 ARG HH12 1 1 11 4684 1 1 24 ARG HH21 H -0.274 11.445 -0.099 1.00 . A A . 52 ARG HH21 1 1 11 4685 1 1 24 ARG HH22 H 0.493 12.987 -0.282 1.00 . A A . 52 ARG HH22 1 1 11 4686 1 1 24 ARG N N -4.438 7.580 -2.107 1.00 . A A . 52 ARG N 1 1 11 4687 1 1 24 ARG NE N -2.218 11.945 -1.541 1.00 . A A . 52 ARG NE 1 1 11 4688 1 1 24 ARG NH1 N -1.217 13.957 -1.779 1.00 . A A . 52 ARG NH1 1 1 11 4689 1 1 24 ARG NH2 N -0.263 12.365 -0.489 1.00 . A A . 52 ARG NH2 1 1 11 4690 1 1 24 ARG O O -4.548 9.577 -5.071 1.00 . A A . 52 ARG O 1 1 11 4691 1 1 25 THR C C -3.702 6.555 -6.603 1.00 . A A . 53 THR C 1 1 11 4692 1 1 25 THR CA C -2.867 7.627 -5.898 1.00 . A A . 53 THR CA 1 1 11 4693 1 1 25 THR CB C -1.394 7.198 -5.852 1.00 . A A . 53 THR CB 1 1 11 4694 1 1 25 THR CG2 C -1.272 5.710 -6.202 1.00 . A A . 53 THR CG2 1 1 11 4695 1 1 25 THR H H -3.100 7.176 -3.807 1.00 . A A . 53 THR H 1 1 11 4696 1 1 25 THR HA H -2.954 8.561 -6.433 1.00 . A A . 53 THR HA 1 1 11 4697 1 1 25 THR HB H -0.999 7.362 -4.859 1.00 . A A . 53 THR HB 1 1 11 4698 1 1 25 THR HG1 H -1.097 7.906 -7.638 1.00 . A A . 53 THR HG1 1 1 11 4699 1 1 25 THR HG21 H -1.435 5.576 -7.261 1.00 . A A . 53 THR HG21 1 1 11 4700 1 1 25 THR HG22 H -2.009 5.148 -5.649 1.00 . A A . 53 THR HG22 1 1 11 4701 1 1 25 THR HG23 H -0.284 5.360 -5.943 1.00 . A A . 53 THR HG23 1 1 11 4702 1 1 25 THR N N -3.374 7.803 -4.509 1.00 . A A . 53 THR N 1 1 11 4703 1 1 25 THR O O -3.536 6.298 -7.778 1.00 . A A . 53 THR O 1 1 11 4704 1 1 25 THR OG1 O -0.652 7.966 -6.789 1.00 . A A . 53 THR OG1 1 1 11 4705 1 1 26 HIS C C -5.706 5.222 -7.976 1.00 . A A . 54 HIS C 1 1 11 4706 1 1 26 HIS CA C -5.443 4.865 -6.511 1.00 . A A . 54 HIS CA 1 1 11 4707 1 1 26 HIS CB C -6.775 4.768 -5.761 1.00 . A A . 54 HIS CB 1 1 11 4708 1 1 26 HIS CD2 C -7.115 2.942 -3.898 1.00 . A A . 54 HIS CD2 1 1 11 4709 1 1 26 HIS CE1 C -7.082 1.187 -5.169 1.00 . A A . 54 HIS CE1 1 1 11 4710 1 1 26 HIS CG C -6.932 3.386 -5.184 1.00 . A A . 54 HIS CG 1 1 11 4711 1 1 26 HIS H H -4.712 6.147 -4.942 1.00 . A A . 54 HIS H 1 1 11 4712 1 1 26 HIS HA H -4.929 3.917 -6.459 1.00 . A A . 54 HIS HA 1 1 11 4713 1 1 26 HIS HB2 H -6.793 5.494 -4.963 1.00 . A A . 54 HIS HB2 1 1 11 4714 1 1 26 HIS HB3 H -7.587 4.966 -6.444 1.00 . A A . 54 HIS HB3 1 1 11 4715 1 1 26 HIS HD1 H -6.796 2.225 -6.949 1.00 . A A . 54 HIS HD1 1 1 11 4716 1 1 26 HIS HD2 H -7.178 3.573 -3.023 1.00 . A A . 54 HIS HD2 1 1 11 4717 1 1 26 HIS HE1 H -7.111 0.162 -5.511 1.00 . A A . 54 HIS HE1 1 1 11 4718 1 1 26 HIS N N -4.597 5.924 -5.888 1.00 . A A . 54 HIS N 1 1 11 4719 1 1 26 HIS ND1 N -6.914 2.249 -5.977 1.00 . A A . 54 HIS ND1 1 1 11 4720 1 1 26 HIS NE2 N -7.209 1.552 -3.889 1.00 . A A . 54 HIS NE2 1 1 11 4721 1 1 26 HIS O O -5.863 4.359 -8.816 1.00 . A A . 54 HIS O 1 1 11 4722 1 1 27 GLY C C -4.685 7.339 -10.340 1.00 . A A . 55 GLY C 1 1 11 4723 1 1 27 GLY CA C -6.002 6.899 -9.698 1.00 . A A . 55 GLY CA 1 1 11 4724 1 1 27 GLY H H -5.621 7.168 -7.595 1.00 . A A . 55 GLY H 1 1 11 4725 1 1 27 GLY HA2 H -6.412 6.064 -10.248 1.00 . A A . 55 GLY HA2 1 1 11 4726 1 1 27 GLY HA3 H -6.700 7.721 -9.717 1.00 . A A . 55 GLY HA3 1 1 11 4727 1 1 27 GLY N N -5.752 6.488 -8.288 1.00 . A A . 55 GLY N 1 1 11 4728 1 1 27 GLY O O -4.174 6.599 -11.166 1.00 . A A . 55 GLY O 1 1 11 4729 1 1 27 GLY OXT O -4.209 8.407 -9.995 1.00 . A A . 55 GLY OXT 1 1 11 4730 2 2 1 ZN ZN ZN -5.617 0.237 -3.655 1.00 . B A . 84 ZN ZN 1 1 12 4731 1 1 1 GLU C C 6.670 -10.095 6.479 1.00 . A A . 29 GLU C 1 1 12 4732 1 1 1 GLU CA C 6.992 -10.441 7.936 1.00 . A A . 29 GLU CA 1 1 12 4733 1 1 1 GLU CB C 6.676 -9.237 8.827 1.00 . A A . 29 GLU CB 1 1 12 4734 1 1 1 GLU CD C 7.923 -10.125 10.802 1.00 . A A . 29 GLU CD 1 1 12 4735 1 1 1 GLU CG C 6.550 -9.697 10.281 1.00 . A A . 29 GLU CG 1 1 12 4736 1 1 1 GLU H1 H 9.010 -9.931 7.897 1.00 . A A . 29 GLU H1 1 1 12 4737 1 1 1 GLU H2 H 8.683 -11.505 7.350 1.00 . A A . 29 GLU H2 1 1 12 4738 1 1 1 GLU H3 H 8.627 -11.151 9.010 1.00 . A A . 29 GLU H3 1 1 12 4739 1 1 1 GLU HA H 6.395 -11.285 8.244 1.00 . A A . 29 GLU HA 1 1 12 4740 1 1 1 GLU HB2 H 7.472 -8.510 8.746 1.00 . A A . 29 GLU HB2 1 1 12 4741 1 1 1 GLU HB3 H 5.745 -8.790 8.511 1.00 . A A . 29 GLU HB3 1 1 12 4742 1 1 1 GLU HG2 H 6.172 -8.884 10.884 1.00 . A A . 29 GLU HG2 1 1 12 4743 1 1 1 GLU HG3 H 5.869 -10.534 10.337 1.00 . A A . 29 GLU HG3 1 1 12 4744 1 1 1 GLU N N 8.438 -10.783 8.057 1.00 . A A . 29 GLU N 1 1 12 4745 1 1 1 GLU O O 7.516 -9.635 5.738 1.00 . A A . 29 GLU O 1 1 12 4746 1 1 1 GLU OE1 O 8.683 -9.255 11.195 1.00 . A A . 29 GLU OE1 1 1 12 4747 1 1 1 GLU OE2 O 8.191 -11.316 10.798 1.00 . A A . 29 GLU OE2 1 1 12 4748 1 1 2 LYS C C 4.634 -8.535 4.566 1.00 . A A . 30 LYS C 1 1 12 4749 1 1 2 LYS CA C 5.077 -9.997 4.658 1.00 . A A . 30 LYS CA 1 1 12 4750 1 1 2 LYS CB C 3.926 -10.906 4.222 1.00 . A A . 30 LYS CB 1 1 12 4751 1 1 2 LYS CD C 1.675 -11.787 4.853 1.00 . A A . 30 LYS CD 1 1 12 4752 1 1 2 LYS CE C 0.742 -10.914 4.011 1.00 . A A . 30 LYS CE 1 1 12 4753 1 1 2 LYS CG C 2.868 -10.954 5.325 1.00 . A A . 30 LYS CG 1 1 12 4754 1 1 2 LYS H H 4.785 -10.685 6.679 1.00 . A A . 30 LYS H 1 1 12 4755 1 1 2 LYS HA H 5.928 -10.157 4.013 1.00 . A A . 30 LYS HA 1 1 12 4756 1 1 2 LYS HB2 H 3.486 -10.519 3.314 1.00 . A A . 30 LYS HB2 1 1 12 4757 1 1 2 LYS HB3 H 4.303 -11.903 4.044 1.00 . A A . 30 LYS HB3 1 1 12 4758 1 1 2 LYS HD2 H 2.027 -12.617 4.259 1.00 . A A . 30 LYS HD2 1 1 12 4759 1 1 2 LYS HD3 H 1.136 -12.161 5.711 1.00 . A A . 30 LYS HD3 1 1 12 4760 1 1 2 LYS HE2 H -0.106 -10.613 4.607 1.00 . A A . 30 LYS HE2 1 1 12 4761 1 1 2 LYS HE3 H 1.276 -10.036 3.676 1.00 . A A . 30 LYS HE3 1 1 12 4762 1 1 2 LYS HG2 H 3.293 -11.401 6.212 1.00 . A A . 30 LYS HG2 1 1 12 4763 1 1 2 LYS HG3 H 2.538 -9.950 5.551 1.00 . A A . 30 LYS HG3 1 1 12 4764 1 1 2 LYS HZ1 H 0.141 -12.684 3.097 1.00 . A A . 30 LYS HZ1 1 1 12 4765 1 1 2 LYS HZ2 H 0.976 -11.625 2.068 1.00 . A A . 30 LYS HZ2 1 1 12 4766 1 1 2 LYS HZ3 H -0.635 -11.296 2.497 1.00 . A A . 30 LYS HZ3 1 1 12 4767 1 1 2 LYS N N 5.452 -10.313 6.065 1.00 . A A . 30 LYS N 1 1 12 4768 1 1 2 LYS NZ N 0.271 -11.688 2.829 1.00 . A A . 30 LYS NZ 1 1 12 4769 1 1 2 LYS O O 4.105 -7.979 5.508 1.00 . A A . 30 LYS O 1 1 12 4770 1 1 3 PRO C C 2.950 -6.307 3.157 1.00 . A A . 31 PRO C 1 1 12 4771 1 1 3 PRO CA C 4.470 -6.498 3.202 1.00 . A A . 31 PRO CA 1 1 12 4772 1 1 3 PRO CB C 5.093 -6.165 1.843 1.00 . A A . 31 PRO CB 1 1 12 4773 1 1 3 PRO CD C 5.481 -8.523 2.252 1.00 . A A . 31 PRO CD 1 1 12 4774 1 1 3 PRO CG C 5.280 -7.477 1.155 1.00 . A A . 31 PRO CG 1 1 12 4775 1 1 3 PRO HA H 4.903 -5.867 3.961 1.00 . A A . 31 PRO HA 1 1 12 4776 1 1 3 PRO HB2 H 4.427 -5.533 1.273 1.00 . A A . 31 PRO HB2 1 1 12 4777 1 1 3 PRO HB3 H 6.047 -5.681 1.978 1.00 . A A . 31 PRO HB3 1 1 12 4778 1 1 3 PRO HD2 H 4.991 -9.450 1.985 1.00 . A A . 31 PRO HD2 1 1 12 4779 1 1 3 PRO HD3 H 6.532 -8.686 2.434 1.00 . A A . 31 PRO HD3 1 1 12 4780 1 1 3 PRO HG2 H 4.401 -7.715 0.569 1.00 . A A . 31 PRO HG2 1 1 12 4781 1 1 3 PRO HG3 H 6.152 -7.443 0.522 1.00 . A A . 31 PRO HG3 1 1 12 4782 1 1 3 PRO N N 4.849 -7.922 3.435 1.00 . A A . 31 PRO N 1 1 12 4783 1 1 3 PRO O O 2.245 -7.021 2.473 1.00 . A A . 31 PRO O 1 1 12 4784 1 1 4 PHE C C 0.491 -4.848 2.459 1.00 . A A . 32 PHE C 1 1 12 4785 1 1 4 PHE CA C 0.972 -5.116 3.888 1.00 . A A . 32 PHE CA 1 1 12 4786 1 1 4 PHE CB C 0.651 -3.906 4.768 1.00 . A A . 32 PHE CB 1 1 12 4787 1 1 4 PHE CD1 C 0.603 -4.973 7.051 1.00 . A A . 32 PHE CD1 1 1 12 4788 1 1 4 PHE CD2 C 2.409 -3.445 6.517 1.00 . A A . 32 PHE CD2 1 1 12 4789 1 1 4 PHE CE1 C 1.143 -5.165 8.328 1.00 . A A . 32 PHE CE1 1 1 12 4790 1 1 4 PHE CE2 C 2.948 -3.636 7.794 1.00 . A A . 32 PHE CE2 1 1 12 4791 1 1 4 PHE CG C 1.235 -4.113 6.145 1.00 . A A . 32 PHE CG 1 1 12 4792 1 1 4 PHE CZ C 2.316 -4.497 8.699 1.00 . A A . 32 PHE CZ 1 1 12 4793 1 1 4 PHE H H 3.030 -4.788 4.432 1.00 . A A . 32 PHE H 1 1 12 4794 1 1 4 PHE HA H 0.470 -5.988 4.278 1.00 . A A . 32 PHE HA 1 1 12 4795 1 1 4 PHE HB2 H 1.077 -3.017 4.325 1.00 . A A . 32 PHE HB2 1 1 12 4796 1 1 4 PHE HB3 H -0.420 -3.791 4.845 1.00 . A A . 32 PHE HB3 1 1 12 4797 1 1 4 PHE HD1 H -0.302 -5.490 6.764 1.00 . A A . 32 PHE HD1 1 1 12 4798 1 1 4 PHE HD2 H 2.897 -2.781 5.818 1.00 . A A . 32 PHE HD2 1 1 12 4799 1 1 4 PHE HE1 H 0.655 -5.828 9.027 1.00 . A A . 32 PHE HE1 1 1 12 4800 1 1 4 PHE HE2 H 3.853 -3.121 8.081 1.00 . A A . 32 PHE HE2 1 1 12 4801 1 1 4 PHE HZ H 2.733 -4.644 9.685 1.00 . A A . 32 PHE HZ 1 1 12 4802 1 1 4 PHE N N 2.443 -5.351 3.885 1.00 . A A . 32 PHE N 1 1 12 4803 1 1 4 PHE O O 0.856 -3.865 1.845 1.00 . A A . 32 PHE O 1 1 12 4804 1 1 5 SER C C -1.971 -4.479 0.564 1.00 . A A . 33 SER C 1 1 12 4805 1 1 5 SER CA C -0.837 -5.507 0.541 1.00 . A A . 33 SER CA 1 1 12 4806 1 1 5 SER CB C -1.360 -6.831 -0.015 1.00 . A A . 33 SER CB 1 1 12 4807 1 1 5 SER H H -0.614 -6.499 2.441 1.00 . A A . 33 SER H 1 1 12 4808 1 1 5 SER HA H -0.036 -5.145 -0.085 1.00 . A A . 33 SER HA 1 1 12 4809 1 1 5 SER HB2 H -2.056 -6.638 -0.815 1.00 . A A . 33 SER HB2 1 1 12 4810 1 1 5 SER HB3 H -0.531 -7.413 -0.395 1.00 . A A . 33 SER HB3 1 1 12 4811 1 1 5 SER HG H -2.969 -7.419 0.908 1.00 . A A . 33 SER HG 1 1 12 4812 1 1 5 SER N N -0.330 -5.715 1.928 1.00 . A A . 33 SER N 1 1 12 4813 1 1 5 SER O O -2.450 -4.094 1.612 1.00 . A A . 33 SER O 1 1 12 4814 1 1 5 SER OG O -2.024 -7.544 1.020 1.00 . A A . 33 SER OG 1 1 12 4815 1 1 6 CYS C C -4.852 -3.729 -0.458 1.00 . A A . 34 CYS C 1 1 12 4816 1 1 6 CYS CA C -3.503 -3.024 -0.618 1.00 . A A . 34 CYS CA 1 1 12 4817 1 1 6 CYS CB C -3.474 -2.280 -1.954 1.00 . A A . 34 CYS CB 1 1 12 4818 1 1 6 CYS H H -2.003 -4.349 -1.420 1.00 . A A . 34 CYS H 1 1 12 4819 1 1 6 CYS HA H -3.369 -2.319 0.188 1.00 . A A . 34 CYS HA 1 1 12 4820 1 1 6 CYS HB2 H -2.595 -1.655 -2.000 1.00 . A A . 34 CYS HB2 1 1 12 4821 1 1 6 CYS HB3 H -3.451 -2.994 -2.764 1.00 . A A . 34 CYS HB3 1 1 12 4822 1 1 6 CYS N N -2.403 -4.029 -0.583 1.00 . A A . 34 CYS N 1 1 12 4823 1 1 6 CYS O O -4.924 -4.937 -0.345 1.00 . A A . 34 CYS O 1 1 12 4824 1 1 6 CYS SG S -4.955 -1.248 -2.099 1.00 . A A . 34 CYS SG 1 1 12 4825 1 1 7 SER C C -7.718 -4.198 -1.630 1.00 . A A . 35 SER C 1 1 12 4826 1 1 7 SER CA C -7.267 -3.601 -0.293 1.00 . A A . 35 SER CA 1 1 12 4827 1 1 7 SER CB C -8.269 -2.536 0.157 1.00 . A A . 35 SER CB 1 1 12 4828 1 1 7 SER H H -5.840 -2.009 -0.537 1.00 . A A . 35 SER H 1 1 12 4829 1 1 7 SER HA H -7.218 -4.384 0.450 1.00 . A A . 35 SER HA 1 1 12 4830 1 1 7 SER HB2 H -7.743 -1.633 0.420 1.00 . A A . 35 SER HB2 1 1 12 4831 1 1 7 SER HB3 H -8.957 -2.326 -0.651 1.00 . A A . 35 SER HB3 1 1 12 4832 1 1 7 SER HG H -9.499 -3.769 1.023 1.00 . A A . 35 SER HG 1 1 12 4833 1 1 7 SER N N -5.922 -2.981 -0.448 1.00 . A A . 35 SER N 1 1 12 4834 1 1 7 SER O O -8.107 -5.347 -1.706 1.00 . A A . 35 SER O 1 1 12 4835 1 1 7 SER OG O -8.980 -3.009 1.293 1.00 . A A . 35 SER OG 1 1 12 4836 1 1 8 LEU C C -7.113 -3.523 -5.095 1.00 . A A . 36 LEU C 1 1 12 4837 1 1 8 LEU CA C -8.102 -3.964 -4.012 1.00 . A A . 36 LEU CA 1 1 12 4838 1 1 8 LEU CB C -9.496 -3.434 -4.349 1.00 . A A . 36 LEU CB 1 1 12 4839 1 1 8 LEU CD1 C -11.559 -4.526 -5.239 1.00 . A A . 36 LEU CD1 1 1 12 4840 1 1 8 LEU CD2 C -9.944 -3.443 -6.807 1.00 . A A . 36 LEU CD2 1 1 12 4841 1 1 8 LEU CG C -10.081 -4.242 -5.509 1.00 . A A . 36 LEU CG 1 1 12 4842 1 1 8 LEU H H -7.356 -2.505 -2.609 1.00 . A A . 36 LEU H 1 1 12 4843 1 1 8 LEU HA H -8.129 -5.043 -3.970 1.00 . A A . 36 LEU HA 1 1 12 4844 1 1 8 LEU HB2 H -10.136 -3.528 -3.485 1.00 . A A . 36 LEU HB2 1 1 12 4845 1 1 8 LEU HB3 H -9.427 -2.395 -4.637 1.00 . A A . 36 LEU HB3 1 1 12 4846 1 1 8 LEU HD11 H -11.921 -5.253 -5.951 1.00 . A A . 36 LEU HD11 1 1 12 4847 1 1 8 LEU HD12 H -12.125 -3.612 -5.339 1.00 . A A . 36 LEU HD12 1 1 12 4848 1 1 8 LEU HD13 H -11.674 -4.914 -4.239 1.00 . A A . 36 LEU HD13 1 1 12 4849 1 1 8 LEU HD21 H -9.918 -4.122 -7.646 1.00 . A A . 36 LEU HD21 1 1 12 4850 1 1 8 LEU HD22 H -9.031 -2.867 -6.779 1.00 . A A . 36 LEU HD22 1 1 12 4851 1 1 8 LEU HD23 H -10.787 -2.776 -6.909 1.00 . A A . 36 LEU HD23 1 1 12 4852 1 1 8 LEU HG H -9.548 -5.177 -5.602 1.00 . A A . 36 LEU HG 1 1 12 4853 1 1 8 LEU N N -7.671 -3.429 -2.687 1.00 . A A . 36 LEU N 1 1 12 4854 1 1 8 LEU O O -7.180 -2.418 -5.595 1.00 . A A . 36 LEU O 1 1 12 4855 1 1 9 CYS C C -3.890 -4.779 -6.224 1.00 . A A . 37 CYS C 1 1 12 4856 1 1 9 CYS CA C -5.202 -4.044 -6.517 1.00 . A A . 37 CYS CA 1 1 12 4857 1 1 9 CYS CB C -4.940 -2.536 -6.525 1.00 . A A . 37 CYS CB 1 1 12 4858 1 1 9 CYS H H -6.183 -5.273 -5.044 1.00 . A A . 37 CYS H 1 1 12 4859 1 1 9 CYS HA H -5.579 -4.350 -7.482 1.00 . A A . 37 CYS HA 1 1 12 4860 1 1 9 CYS HB2 H -3.999 -2.338 -7.016 1.00 . A A . 37 CYS HB2 1 1 12 4861 1 1 9 CYS HB3 H -5.733 -2.033 -7.059 1.00 . A A . 37 CYS HB3 1 1 12 4862 1 1 9 CYS N N -6.204 -4.388 -5.463 1.00 . A A . 37 CYS N 1 1 12 4863 1 1 9 CYS O O -3.508 -4.947 -5.083 1.00 . A A . 37 CYS O 1 1 12 4864 1 1 9 CYS SG S -4.869 -1.923 -4.824 1.00 . A A . 37 CYS SG 1 1 12 4865 1 1 10 PRO C C -0.756 -5.011 -6.728 1.00 . A A . 38 PRO C 1 1 12 4866 1 1 10 PRO CA C -1.913 -5.944 -7.102 1.00 . A A . 38 PRO CA 1 1 12 4867 1 1 10 PRO CB C -1.680 -6.550 -8.486 1.00 . A A . 38 PRO CB 1 1 12 4868 1 1 10 PRO CD C -3.588 -5.059 -8.661 1.00 . A A . 38 PRO CD 1 1 12 4869 1 1 10 PRO CG C -2.410 -5.658 -9.435 1.00 . A A . 38 PRO CG 1 1 12 4870 1 1 10 PRO HA H -2.009 -6.734 -6.374 1.00 . A A . 38 PRO HA 1 1 12 4871 1 1 10 PRO HB2 H -0.623 -6.561 -8.716 1.00 . A A . 38 PRO HB2 1 1 12 4872 1 1 10 PRO HB3 H -2.086 -7.548 -8.533 1.00 . A A . 38 PRO HB3 1 1 12 4873 1 1 10 PRO HD2 H -3.711 -4.013 -8.911 1.00 . A A . 38 PRO HD2 1 1 12 4874 1 1 10 PRO HD3 H -4.493 -5.609 -8.865 1.00 . A A . 38 PRO HD3 1 1 12 4875 1 1 10 PRO HG2 H -1.752 -4.871 -9.781 1.00 . A A . 38 PRO HG2 1 1 12 4876 1 1 10 PRO HG3 H -2.779 -6.228 -10.272 1.00 . A A . 38 PRO HG3 1 1 12 4877 1 1 10 PRO N N -3.205 -5.214 -7.249 1.00 . A A . 38 PRO N 1 1 12 4878 1 1 10 PRO O O 0.089 -4.699 -7.543 1.00 . A A . 38 PRO O 1 1 12 4879 1 1 11 GLN C C 0.633 -3.809 -3.580 1.00 . A A . 39 GLN C 1 1 12 4880 1 1 11 GLN CA C 0.393 -3.655 -5.082 1.00 . A A . 39 GLN CA 1 1 12 4881 1 1 11 GLN CB C 0.011 -2.205 -5.397 1.00 . A A . 39 GLN CB 1 1 12 4882 1 1 11 GLN CD C -1.312 -0.229 -4.635 1.00 . A A . 39 GLN CD 1 1 12 4883 1 1 11 GLN CG C -0.840 -1.636 -4.260 1.00 . A A . 39 GLN CG 1 1 12 4884 1 1 11 GLN H H -1.402 -4.828 -4.857 1.00 . A A . 39 GLN H 1 1 12 4885 1 1 11 GLN HA H 1.293 -3.914 -5.618 1.00 . A A . 39 GLN HA 1 1 12 4886 1 1 11 GLN HB2 H 0.908 -1.614 -5.507 1.00 . A A . 39 GLN HB2 1 1 12 4887 1 1 11 GLN HB3 H -0.554 -2.175 -6.317 1.00 . A A . 39 GLN HB3 1 1 12 4888 1 1 11 GLN HE21 H -2.989 -0.865 -5.487 1.00 . A A . 39 GLN HE21 1 1 12 4889 1 1 11 GLN HE22 H -2.758 0.816 -5.505 1.00 . A A . 39 GLN HE22 1 1 12 4890 1 1 11 GLN HG2 H -1.695 -2.273 -4.096 1.00 . A A . 39 GLN HG2 1 1 12 4891 1 1 11 GLN HG3 H -0.249 -1.585 -3.358 1.00 . A A . 39 GLN HG3 1 1 12 4892 1 1 11 GLN N N -0.712 -4.564 -5.502 1.00 . A A . 39 GLN N 1 1 12 4893 1 1 11 GLN NE2 N -2.448 -0.081 -5.261 1.00 . A A . 39 GLN NE2 1 1 12 4894 1 1 11 GLN O O -0.274 -4.092 -2.822 1.00 . A A . 39 GLN O 1 1 12 4895 1 1 11 GLN OE1 O -0.640 0.744 -4.356 1.00 . A A . 39 GLN OE1 1 1 12 4896 1 1 12 ARG C C 3.044 -2.618 -1.231 1.00 . A A . 40 ARG C 1 1 12 4897 1 1 12 ARG CA C 2.141 -3.766 -1.687 1.00 . A A . 40 ARG CA 1 1 12 4898 1 1 12 ARG CB C 2.845 -5.102 -1.436 1.00 . A A . 40 ARG CB 1 1 12 4899 1 1 12 ARG CD C 4.740 -6.475 -2.309 1.00 . A A . 40 ARG CD 1 1 12 4900 1 1 12 ARG CG C 4.258 -5.052 -2.021 1.00 . A A . 40 ARG CG 1 1 12 4901 1 1 12 ARG CZ C 6.887 -7.479 -2.814 1.00 . A A . 40 ARG CZ 1 1 12 4902 1 1 12 ARG H H 2.567 -3.399 -3.767 1.00 . A A . 40 ARG H 1 1 12 4903 1 1 12 ARG HA H 1.216 -3.737 -1.131 1.00 . A A . 40 ARG HA 1 1 12 4904 1 1 12 ARG HB2 H 2.899 -5.285 -0.373 1.00 . A A . 40 ARG HB2 1 1 12 4905 1 1 12 ARG HB3 H 2.289 -5.896 -1.911 1.00 . A A . 40 ARG HB3 1 1 12 4906 1 1 12 ARG HD2 H 4.316 -7.153 -1.584 1.00 . A A . 40 ARG HD2 1 1 12 4907 1 1 12 ARG HD3 H 4.429 -6.766 -3.301 1.00 . A A . 40 ARG HD3 1 1 12 4908 1 1 12 ARG HE H 6.711 -5.834 -1.717 1.00 . A A . 40 ARG HE 1 1 12 4909 1 1 12 ARG HG2 H 4.248 -4.481 -2.937 1.00 . A A . 40 ARG HG2 1 1 12 4910 1 1 12 ARG HG3 H 4.925 -4.585 -1.311 1.00 . A A . 40 ARG HG3 1 1 12 4911 1 1 12 ARG HH11 H 5.248 -8.362 -3.549 1.00 . A A . 40 ARG HH11 1 1 12 4912 1 1 12 ARG HH12 H 6.751 -9.127 -3.943 1.00 . A A . 40 ARG HH12 1 1 12 4913 1 1 12 ARG HH21 H 8.681 -6.820 -2.217 1.00 . A A . 40 ARG HH21 1 1 12 4914 1 1 12 ARG HH22 H 8.695 -8.255 -3.187 1.00 . A A . 40 ARG HH22 1 1 12 4915 1 1 12 ARG N N 1.848 -3.626 -3.141 1.00 . A A . 40 ARG N 1 1 12 4916 1 1 12 ARG NE N 6.228 -6.522 -2.221 1.00 . A A . 40 ARG NE 1 1 12 4917 1 1 12 ARG NH1 N 6.245 -8.394 -3.488 1.00 . A A . 40 ARG NH1 1 1 12 4918 1 1 12 ARG NH2 N 8.189 -7.521 -2.733 1.00 . A A . 40 ARG NH2 1 1 12 4919 1 1 12 ARG O O 3.862 -2.124 -1.981 1.00 . A A . 40 ARG O 1 1 12 4920 1 1 13 SER C C 4.407 -1.496 1.818 1.00 . A A . 41 SER C 1 1 12 4921 1 1 13 SER CA C 3.750 -1.079 0.502 1.00 . A A . 41 SER CA 1 1 12 4922 1 1 13 SER CB C 2.880 0.157 0.739 1.00 . A A . 41 SER CB 1 1 12 4923 1 1 13 SER H H 2.235 -2.608 0.583 1.00 . A A . 41 SER H 1 1 12 4924 1 1 13 SER HA H 4.514 -0.847 -0.225 1.00 . A A . 41 SER HA 1 1 12 4925 1 1 13 SER HB2 H 3.339 0.784 1.483 1.00 . A A . 41 SER HB2 1 1 12 4926 1 1 13 SER HB3 H 2.782 0.710 -0.186 1.00 . A A . 41 SER HB3 1 1 12 4927 1 1 13 SER HG H 1.727 -0.934 1.863 1.00 . A A . 41 SER HG 1 1 12 4928 1 1 13 SER N N 2.901 -2.194 -0.005 1.00 . A A . 41 SER N 1 1 12 4929 1 1 13 SER O O 4.012 -2.461 2.443 1.00 . A A . 41 SER O 1 1 12 4930 1 1 13 SER OG O 1.598 -0.254 1.198 1.00 . A A . 41 SER OG 1 1 12 4931 1 1 14 ARG C C 5.621 -0.181 4.630 1.00 . A A . 42 ARG C 1 1 12 4932 1 1 14 ARG CA C 6.087 -1.131 3.525 1.00 . A A . 42 ARG CA 1 1 12 4933 1 1 14 ARG CB C 7.602 -1.007 3.348 1.00 . A A . 42 ARG CB 1 1 12 4934 1 1 14 ARG CD C 8.140 -3.064 4.661 1.00 . A A . 42 ARG CD 1 1 12 4935 1 1 14 ARG CG C 8.222 -2.405 3.283 1.00 . A A . 42 ARG CG 1 1 12 4936 1 1 14 ARG CZ C 9.832 -3.811 6.223 1.00 . A A . 42 ARG CZ 1 1 12 4937 1 1 14 ARG H H 5.710 -0.001 1.730 1.00 . A A . 42 ARG H 1 1 12 4938 1 1 14 ARG HA H 5.838 -2.146 3.795 1.00 . A A . 42 ARG HA 1 1 12 4939 1 1 14 ARG HB2 H 7.815 -0.474 2.432 1.00 . A A . 42 ARG HB2 1 1 12 4940 1 1 14 ARG HB3 H 8.019 -0.469 4.185 1.00 . A A . 42 ARG HB3 1 1 12 4941 1 1 14 ARG HD2 H 7.915 -2.315 5.405 1.00 . A A . 42 ARG HD2 1 1 12 4942 1 1 14 ARG HD3 H 7.362 -3.813 4.656 1.00 . A A . 42 ARG HD3 1 1 12 4943 1 1 14 ARG HE H 10.013 -4.049 4.261 1.00 . A A . 42 ARG HE 1 1 12 4944 1 1 14 ARG HG2 H 7.684 -3.004 2.563 1.00 . A A . 42 ARG HG2 1 1 12 4945 1 1 14 ARG HG3 H 9.257 -2.325 2.984 1.00 . A A . 42 ARG HG3 1 1 12 4946 1 1 14 ARG HH11 H 8.200 -2.924 6.968 1.00 . A A . 42 ARG HH11 1 1 12 4947 1 1 14 ARG HH12 H 9.372 -3.434 8.135 1.00 . A A . 42 ARG HH12 1 1 12 4948 1 1 14 ARG HH21 H 11.556 -4.723 5.769 1.00 . A A . 42 ARG HH21 1 1 12 4949 1 1 14 ARG HH22 H 11.274 -4.452 7.456 1.00 . A A . 42 ARG HH22 1 1 12 4950 1 1 14 ARG N N 5.406 -0.776 2.248 1.00 . A A . 42 ARG N 1 1 12 4951 1 1 14 ARG NE N 9.445 -3.706 4.982 1.00 . A A . 42 ARG NE 1 1 12 4952 1 1 14 ARG NH1 N 9.077 -3.354 7.184 1.00 . A A . 42 ARG NH1 1 1 12 4953 1 1 14 ARG NH2 N 10.977 -4.373 6.504 1.00 . A A . 42 ARG NH2 1 1 12 4954 1 1 14 ARG O O 5.281 -0.599 5.719 1.00 . A A . 42 ARG O 1 1 12 4955 1 1 15 ASP C C 3.836 2.712 4.950 1.00 . A A . 43 ASP C 1 1 12 4956 1 1 15 ASP CA C 5.154 2.071 5.392 1.00 . A A . 43 ASP CA 1 1 12 4957 1 1 15 ASP CB C 6.219 3.157 5.560 1.00 . A A . 43 ASP CB 1 1 12 4958 1 1 15 ASP CG C 6.190 3.680 6.998 1.00 . A A . 43 ASP CG 1 1 12 4959 1 1 15 ASP H H 5.877 1.412 3.473 1.00 . A A . 43 ASP H 1 1 12 4960 1 1 15 ASP HA H 5.009 1.559 6.331 1.00 . A A . 43 ASP HA 1 1 12 4961 1 1 15 ASP HB2 H 7.193 2.741 5.346 1.00 . A A . 43 ASP HB2 1 1 12 4962 1 1 15 ASP HB3 H 6.015 3.969 4.879 1.00 . A A . 43 ASP HB3 1 1 12 4963 1 1 15 ASP N N 5.600 1.095 4.358 1.00 . A A . 43 ASP N 1 1 12 4964 1 1 15 ASP O O 3.494 2.707 3.785 1.00 . A A . 43 ASP O 1 1 12 4965 1 1 15 ASP OD1 O 5.217 3.417 7.685 1.00 . A A . 43 ASP OD1 1 1 12 4966 1 1 15 ASP OD2 O 7.143 4.335 7.387 1.00 . A A . 43 ASP OD2 1 1 12 4967 1 1 16 PHE C C 2.057 5.030 4.497 1.00 . A A . 44 PHE C 1 1 12 4968 1 1 16 PHE CA C 1.801 3.903 5.500 1.00 . A A . 44 PHE CA 1 1 12 4969 1 1 16 PHE CB C 1.134 4.478 6.752 1.00 . A A . 44 PHE CB 1 1 12 4970 1 1 16 PHE CD1 C -1.183 3.775 6.048 1.00 . A A . 44 PHE CD1 1 1 12 4971 1 1 16 PHE CD2 C -0.779 6.110 6.568 1.00 . A A . 44 PHE CD2 1 1 12 4972 1 1 16 PHE CE1 C -2.523 4.069 5.767 1.00 . A A . 44 PHE CE1 1 1 12 4973 1 1 16 PHE CE2 C -2.118 6.404 6.287 1.00 . A A . 44 PHE CE2 1 1 12 4974 1 1 16 PHE CG C -0.311 4.795 6.449 1.00 . A A . 44 PHE CG 1 1 12 4975 1 1 16 PHE CZ C -2.990 5.384 5.886 1.00 . A A . 44 PHE CZ 1 1 12 4976 1 1 16 PHE H H 3.388 3.258 6.806 1.00 . A A . 44 PHE H 1 1 12 4977 1 1 16 PHE HA H 1.151 3.165 5.054 1.00 . A A . 44 PHE HA 1 1 12 4978 1 1 16 PHE HB2 H 1.185 3.755 7.552 1.00 . A A . 44 PHE HB2 1 1 12 4979 1 1 16 PHE HB3 H 1.645 5.381 7.048 1.00 . A A . 44 PHE HB3 1 1 12 4980 1 1 16 PHE HD1 H -0.822 2.761 5.956 1.00 . A A . 44 PHE HD1 1 1 12 4981 1 1 16 PHE HD2 H -0.107 6.896 6.877 1.00 . A A . 44 PHE HD2 1 1 12 4982 1 1 16 PHE HE1 H -3.195 3.283 5.457 1.00 . A A . 44 PHE HE1 1 1 12 4983 1 1 16 PHE HE2 H -2.479 7.417 6.379 1.00 . A A . 44 PHE HE2 1 1 12 4984 1 1 16 PHE HZ H -4.024 5.611 5.669 1.00 . A A . 44 PHE HZ 1 1 12 4985 1 1 16 PHE N N 3.094 3.264 5.871 1.00 . A A . 44 PHE N 1 1 12 4986 1 1 16 PHE O O 1.280 5.253 3.589 1.00 . A A . 44 PHE O 1 1 12 4987 1 1 17 SER C C 3.313 6.347 2.270 1.00 . A A . 45 SER C 1 1 12 4988 1 1 17 SER CA C 3.440 6.855 3.708 1.00 . A A . 45 SER CA 1 1 12 4989 1 1 17 SER CB C 4.864 7.357 3.950 1.00 . A A . 45 SER CB 1 1 12 4990 1 1 17 SER H H 3.751 5.547 5.392 1.00 . A A . 45 SER H 1 1 12 4991 1 1 17 SER HA H 2.741 7.662 3.867 1.00 . A A . 45 SER HA 1 1 12 4992 1 1 17 SER HB2 H 5.368 6.699 4.638 1.00 . A A . 45 SER HB2 1 1 12 4993 1 1 17 SER HB3 H 5.403 7.375 3.012 1.00 . A A . 45 SER HB3 1 1 12 4994 1 1 17 SER HG H 5.713 8.950 4.678 1.00 . A A . 45 SER HG 1 1 12 4995 1 1 17 SER N N 3.138 5.743 4.653 1.00 . A A . 45 SER N 1 1 12 4996 1 1 17 SER O O 2.533 6.855 1.489 1.00 . A A . 45 SER O 1 1 12 4997 1 1 17 SER OG O 4.812 8.664 4.507 1.00 . A A . 45 SER OG 1 1 12 4998 1 1 18 ALA C C 2.608 4.206 0.295 1.00 . A A . 46 ALA C 1 1 12 4999 1 1 18 ALA CA C 3.994 4.811 0.526 1.00 . A A . 46 ALA CA 1 1 12 5000 1 1 18 ALA CB C 5.061 3.731 0.334 1.00 . A A . 46 ALA CB 1 1 12 5001 1 1 18 ALA H H 4.696 4.951 2.558 1.00 . A A . 46 ALA H 1 1 12 5002 1 1 18 ALA HA H 4.159 5.611 -0.181 1.00 . A A . 46 ALA HA 1 1 12 5003 1 1 18 ALA HB1 H 5.802 4.077 -0.371 1.00 . A A . 46 ALA HB1 1 1 12 5004 1 1 18 ALA HB2 H 4.598 2.831 -0.044 1.00 . A A . 46 ALA HB2 1 1 12 5005 1 1 18 ALA HB3 H 5.535 3.521 1.282 1.00 . A A . 46 ALA HB3 1 1 12 5006 1 1 18 ALA N N 4.073 5.349 1.913 1.00 . A A . 46 ALA N 1 1 12 5007 1 1 18 ALA O O 2.074 4.251 -0.796 1.00 . A A . 46 ALA O 1 1 12 5008 1 1 19 MET C C -0.371 4.152 1.008 1.00 . A A . 47 MET C 1 1 12 5009 1 1 19 MET CA C 0.668 3.038 1.151 1.00 . A A . 47 MET CA 1 1 12 5010 1 1 19 MET CB C 0.337 2.186 2.379 1.00 . A A . 47 MET CB 1 1 12 5011 1 1 19 MET CE C -3.232 0.199 2.733 1.00 . A A . 47 MET CE 1 1 12 5012 1 1 19 MET CG C -0.820 1.239 2.051 1.00 . A A . 47 MET CG 1 1 12 5013 1 1 19 MET H H 2.466 3.617 2.186 1.00 . A A . 47 MET H 1 1 12 5014 1 1 19 MET HA H 0.656 2.418 0.267 1.00 . A A . 47 MET HA 1 1 12 5015 1 1 19 MET HB2 H 1.206 1.610 2.660 1.00 . A A . 47 MET HB2 1 1 12 5016 1 1 19 MET HB3 H 0.051 2.830 3.196 1.00 . A A . 47 MET HB3 1 1 12 5017 1 1 19 MET HE1 H -2.817 -0.334 1.889 1.00 . A A . 47 MET HE1 1 1 12 5018 1 1 19 MET HE2 H -4.261 0.461 2.529 1.00 . A A . 47 MET HE2 1 1 12 5019 1 1 19 MET HE3 H -3.191 -0.430 3.608 1.00 . A A . 47 MET HE3 1 1 12 5020 1 1 19 MET HG2 H -1.055 1.307 0.999 1.00 . A A . 47 MET HG2 1 1 12 5021 1 1 19 MET HG3 H -0.535 0.226 2.292 1.00 . A A . 47 MET HG3 1 1 12 5022 1 1 19 MET N N 2.020 3.643 1.314 1.00 . A A . 47 MET N 1 1 12 5023 1 1 19 MET O O -1.396 3.980 0.379 1.00 . A A . 47 MET O 1 1 12 5024 1 1 19 MET SD S -2.274 1.706 3.023 1.00 . A A . 47 MET SD 1 1 12 5025 1 1 20 THR C C -1.081 6.965 0.055 1.00 . A A . 48 THR C 1 1 12 5026 1 1 20 THR CA C -1.089 6.416 1.481 1.00 . A A . 48 THR CA 1 1 12 5027 1 1 20 THR CB C -0.698 7.528 2.454 1.00 . A A . 48 THR CB 1 1 12 5028 1 1 20 THR CG2 C -1.240 7.202 3.846 1.00 . A A . 48 THR CG2 1 1 12 5029 1 1 20 THR H H 0.718 5.413 2.089 1.00 . A A . 48 THR H 1 1 12 5030 1 1 20 THR HA H -2.077 6.057 1.724 1.00 . A A . 48 THR HA 1 1 12 5031 1 1 20 THR HB H -1.121 8.462 2.117 1.00 . A A . 48 THR HB 1 1 12 5032 1 1 20 THR HG1 H 0.979 8.366 1.939 1.00 . A A . 48 THR HG1 1 1 12 5033 1 1 20 THR HG21 H -2.190 7.696 3.987 1.00 . A A . 48 THR HG21 1 1 12 5034 1 1 20 THR HG22 H -0.540 7.545 4.594 1.00 . A A . 48 THR HG22 1 1 12 5035 1 1 20 THR HG23 H -1.373 6.134 3.940 1.00 . A A . 48 THR HG23 1 1 12 5036 1 1 20 THR N N -0.115 5.294 1.586 1.00 . A A . 48 THR N 1 1 12 5037 1 1 20 THR O O -2.110 7.084 -0.580 1.00 . A A . 48 THR O 1 1 12 5038 1 1 20 THR OG1 O 0.717 7.637 2.505 1.00 . A A . 48 THR OG1 1 1 12 5039 1 1 21 LYS C C -0.604 6.860 -2.766 1.00 . A A . 49 LYS C 1 1 12 5040 1 1 21 LYS CA C 0.133 7.827 -1.850 1.00 . A A . 49 LYS CA 1 1 12 5041 1 1 21 LYS CB C 1.592 7.935 -2.297 1.00 . A A . 49 LYS CB 1 1 12 5042 1 1 21 LYS CD C 2.880 10.077 -2.263 1.00 . A A . 49 LYS CD 1 1 12 5043 1 1 21 LYS CE C 3.284 11.243 -1.360 1.00 . A A . 49 LYS CE 1 1 12 5044 1 1 21 LYS CG C 2.329 8.935 -1.405 1.00 . A A . 49 LYS CG 1 1 12 5045 1 1 21 LYS H H 0.893 7.186 0.061 1.00 . A A . 49 LYS H 1 1 12 5046 1 1 21 LYS HA H -0.335 8.799 -1.890 1.00 . A A . 49 LYS HA 1 1 12 5047 1 1 21 LYS HB2 H 2.062 6.965 -2.220 1.00 . A A . 49 LYS HB2 1 1 12 5048 1 1 21 LYS HB3 H 1.628 8.271 -3.321 1.00 . A A . 49 LYS HB3 1 1 12 5049 1 1 21 LYS HD2 H 3.743 9.731 -2.813 1.00 . A A . 49 LYS HD2 1 1 12 5050 1 1 21 LYS HD3 H 2.120 10.407 -2.955 1.00 . A A . 49 LYS HD3 1 1 12 5051 1 1 21 LYS HE2 H 2.412 11.834 -1.122 1.00 . A A . 49 LYS HE2 1 1 12 5052 1 1 21 LYS HE3 H 3.719 10.860 -0.449 1.00 . A A . 49 LYS HE3 1 1 12 5053 1 1 21 LYS HG2 H 1.646 9.334 -0.669 1.00 . A A . 49 LYS HG2 1 1 12 5054 1 1 21 LYS HG3 H 3.147 8.437 -0.905 1.00 . A A . 49 LYS HG3 1 1 12 5055 1 1 21 LYS HZ1 H 5.027 11.495 -2.472 1.00 . A A . 49 LYS HZ1 1 1 12 5056 1 1 21 LYS HZ2 H 4.708 12.763 -1.392 1.00 . A A . 49 LYS HZ2 1 1 12 5057 1 1 21 LYS HZ3 H 3.809 12.626 -2.826 1.00 . A A . 49 LYS HZ3 1 1 12 5058 1 1 21 LYS N N 0.072 7.296 -0.460 1.00 . A A . 49 LYS N 1 1 12 5059 1 1 21 LYS NZ N 4.283 12.096 -2.066 1.00 . A A . 49 LYS NZ 1 1 12 5060 1 1 21 LYS O O -1.324 7.253 -3.663 1.00 . A A . 49 LYS O 1 1 12 5061 1 1 22 HIS C C -2.617 4.887 -3.412 1.00 . A A . 50 HIS C 1 1 12 5062 1 1 22 HIS CA C -1.119 4.578 -3.373 1.00 . A A . 50 HIS CA 1 1 12 5063 1 1 22 HIS CB C -0.899 3.191 -2.768 1.00 . A A . 50 HIS CB 1 1 12 5064 1 1 22 HIS CD2 C -2.663 1.299 -2.301 1.00 . A A . 50 HIS CD2 1 1 12 5065 1 1 22 HIS CE1 C -3.957 1.659 -4.000 1.00 . A A . 50 HIS CE1 1 1 12 5066 1 1 22 HIS CG C -2.119 2.346 -3.003 1.00 . A A . 50 HIS CG 1 1 12 5067 1 1 22 HIS H H 0.152 5.304 -1.801 1.00 . A A . 50 HIS H 1 1 12 5068 1 1 22 HIS HA H -0.718 4.603 -4.375 1.00 . A A . 50 HIS HA 1 1 12 5069 1 1 22 HIS HB2 H -0.041 2.727 -3.233 1.00 . A A . 50 HIS HB2 1 1 12 5070 1 1 22 HIS HB3 H -0.725 3.286 -1.705 1.00 . A A . 50 HIS HB3 1 1 12 5071 1 1 22 HIS HD1 H -2.848 3.235 -4.781 1.00 . A A . 50 HIS HD1 1 1 12 5072 1 1 22 HIS HD2 H -2.252 0.877 -1.396 1.00 . A A . 50 HIS HD2 1 1 12 5073 1 1 22 HIS HE1 H -4.770 1.596 -4.706 1.00 . A A . 50 HIS HE1 1 1 12 5074 1 1 22 HIS N N -0.431 5.590 -2.534 1.00 . A A . 50 HIS N 1 1 12 5075 1 1 22 HIS ND1 N -2.961 2.556 -4.083 1.00 . A A . 50 HIS ND1 1 1 12 5076 1 1 22 HIS NE2 N -3.825 0.868 -2.933 1.00 . A A . 50 HIS NE2 1 1 12 5077 1 1 22 HIS O O -3.243 4.835 -4.453 1.00 . A A . 50 HIS O 1 1 12 5078 1 1 23 LEU C C -4.884 6.827 -3.044 1.00 . A A . 51 LEU C 1 1 12 5079 1 1 23 LEU CA C -4.657 5.522 -2.282 1.00 . A A . 51 LEU CA 1 1 12 5080 1 1 23 LEU CB C -5.150 5.672 -0.841 1.00 . A A . 51 LEU CB 1 1 12 5081 1 1 23 LEU CD1 C -4.736 5.038 1.540 1.00 . A A . 51 LEU CD1 1 1 12 5082 1 1 23 LEU CD2 C -4.200 3.427 -0.292 1.00 . A A . 51 LEU CD2 1 1 12 5083 1 1 23 LEU CG C -4.224 4.905 0.105 1.00 . A A . 51 LEU CG 1 1 12 5084 1 1 23 LEU H H -2.681 5.252 -1.458 1.00 . A A . 51 LEU H 1 1 12 5085 1 1 23 LEU HA H -5.198 4.722 -2.770 1.00 . A A . 51 LEU HA 1 1 12 5086 1 1 23 LEU HB2 H -5.156 6.717 -0.571 1.00 . A A . 51 LEU HB2 1 1 12 5087 1 1 23 LEU HB3 H -6.151 5.274 -0.762 1.00 . A A . 51 LEU HB3 1 1 12 5088 1 1 23 LEU HD11 H -4.463 4.158 2.104 1.00 . A A . 51 LEU HD11 1 1 12 5089 1 1 23 LEU HD12 H -5.811 5.139 1.530 1.00 . A A . 51 LEU HD12 1 1 12 5090 1 1 23 LEU HD13 H -4.298 5.911 2.000 1.00 . A A . 51 LEU HD13 1 1 12 5091 1 1 23 LEU HD21 H -4.887 3.261 -1.107 1.00 . A A . 51 LEU HD21 1 1 12 5092 1 1 23 LEU HD22 H -4.493 2.822 0.554 1.00 . A A . 51 LEU HD22 1 1 12 5093 1 1 23 LEU HD23 H -3.202 3.153 -0.600 1.00 . A A . 51 LEU HD23 1 1 12 5094 1 1 23 LEU HG H -3.227 5.313 0.041 1.00 . A A . 51 LEU HG 1 1 12 5095 1 1 23 LEU N N -3.200 5.210 -2.291 1.00 . A A . 51 LEU N 1 1 12 5096 1 1 23 LEU O O -5.823 6.961 -3.802 1.00 . A A . 51 LEU O 1 1 12 5097 1 1 24 ARG C C -3.811 8.843 -5.059 1.00 . A A . 52 ARG C 1 1 12 5098 1 1 24 ARG CA C -4.177 9.074 -3.594 1.00 . A A . 52 ARG CA 1 1 12 5099 1 1 24 ARG CB C -3.245 10.128 -2.991 1.00 . A A . 52 ARG CB 1 1 12 5100 1 1 24 ARG CD C -4.089 11.678 -1.221 1.00 . A A . 52 ARG CD 1 1 12 5101 1 1 24 ARG CG C -3.539 10.277 -1.497 1.00 . A A . 52 ARG CG 1 1 12 5102 1 1 24 ARG CZ C -3.612 12.005 1.131 1.00 . A A . 52 ARG CZ 1 1 12 5103 1 1 24 ARG H H -3.260 7.656 -2.258 1.00 . A A . 52 ARG H 1 1 12 5104 1 1 24 ARG HA H -5.202 9.408 -3.523 1.00 . A A . 52 ARG HA 1 1 12 5105 1 1 24 ARG HB2 H -2.219 9.820 -3.129 1.00 . A A . 52 ARG HB2 1 1 12 5106 1 1 24 ARG HB3 H -3.407 11.075 -3.484 1.00 . A A . 52 ARG HB3 1 1 12 5107 1 1 24 ARG HD2 H -3.323 12.411 -1.425 1.00 . A A . 52 ARG HD2 1 1 12 5108 1 1 24 ARG HD3 H -4.941 11.861 -1.857 1.00 . A A . 52 ARG HD3 1 1 12 5109 1 1 24 ARG HE H -5.447 11.670 0.451 1.00 . A A . 52 ARG HE 1 1 12 5110 1 1 24 ARG HG2 H -4.268 9.538 -1.198 1.00 . A A . 52 ARG HG2 1 1 12 5111 1 1 24 ARG HG3 H -2.628 10.132 -0.935 1.00 . A A . 52 ARG HG3 1 1 12 5112 1 1 24 ARG HH11 H -2.075 12.077 -0.151 1.00 . A A . 52 ARG HH11 1 1 12 5113 1 1 24 ARG HH12 H -1.672 12.321 1.516 1.00 . A A . 52 ARG HH12 1 1 12 5114 1 1 24 ARG HH21 H -4.939 11.986 2.630 1.00 . A A . 52 ARG HH21 1 1 12 5115 1 1 24 ARG HH22 H -3.293 12.270 3.090 1.00 . A A . 52 ARG HH22 1 1 12 5116 1 1 24 ARG N N -4.019 7.788 -2.863 1.00 . A A . 52 ARG N 1 1 12 5117 1 1 24 ARG NE N -4.503 11.777 0.207 1.00 . A A . 52 ARG NE 1 1 12 5118 1 1 24 ARG NH1 N -2.355 12.145 0.807 1.00 . A A . 52 ARG NH1 1 1 12 5119 1 1 24 ARG NH2 N -3.977 12.094 2.382 1.00 . A A . 52 ARG NH2 1 1 12 5120 1 1 24 ARG O O -4.174 9.605 -5.933 1.00 . A A . 52 ARG O 1 1 12 5121 1 1 25 THR C C -3.629 6.399 -7.286 1.00 . A A . 53 THR C 1 1 12 5122 1 1 25 THR CA C -2.700 7.483 -6.730 1.00 . A A . 53 THR CA 1 1 12 5123 1 1 25 THR CB C -1.248 6.989 -6.754 1.00 . A A . 53 THR CB 1 1 12 5124 1 1 25 THR CG2 C -1.221 5.462 -6.864 1.00 . A A . 53 THR CG2 1 1 12 5125 1 1 25 THR H H -2.819 7.186 -4.604 1.00 . A A . 53 THR H 1 1 12 5126 1 1 25 THR HA H -2.788 8.377 -7.332 1.00 . A A . 53 THR HA 1 1 12 5127 1 1 25 THR HB H -0.750 7.287 -5.843 1.00 . A A . 53 THR HB 1 1 12 5128 1 1 25 THR HG1 H -0.799 7.037 -8.645 1.00 . A A . 53 THR HG1 1 1 12 5129 1 1 25 THR HG21 H -1.927 5.038 -6.165 1.00 . A A . 53 THR HG21 1 1 12 5130 1 1 25 THR HG22 H -0.228 5.102 -6.636 1.00 . A A . 53 THR HG22 1 1 12 5131 1 1 25 THR HG23 H -1.489 5.169 -7.868 1.00 . A A . 53 THR HG23 1 1 12 5132 1 1 25 THR N N -3.095 7.786 -5.328 1.00 . A A . 53 THR N 1 1 12 5133 1 1 25 THR O O -3.554 6.035 -8.443 1.00 . A A . 53 THR O 1 1 12 5134 1 1 25 THR OG1 O -0.576 7.556 -7.869 1.00 . A A . 53 THR OG1 1 1 12 5135 1 1 26 HIS C C -5.927 5.162 -8.348 1.00 . A A . 54 HIS C 1 1 12 5136 1 1 26 HIS CA C -5.441 4.823 -6.937 1.00 . A A . 54 HIS CA 1 1 12 5137 1 1 26 HIS CB C -6.641 4.749 -5.989 1.00 . A A . 54 HIS CB 1 1 12 5138 1 1 26 HIS CD2 C -6.895 2.855 -4.183 1.00 . A A . 54 HIS CD2 1 1 12 5139 1 1 26 HIS CE1 C -6.983 1.156 -5.524 1.00 . A A . 54 HIS CE1 1 1 12 5140 1 1 26 HIS CG C -6.785 3.349 -5.460 1.00 . A A . 54 HIS CG 1 1 12 5141 1 1 26 HIS H H -4.544 6.193 -5.537 1.00 . A A . 54 HIS H 1 1 12 5142 1 1 26 HIS HA H -4.931 3.871 -6.950 1.00 . A A . 54 HIS HA 1 1 12 5143 1 1 26 HIS HB2 H -6.490 5.430 -5.165 1.00 . A A . 54 HIS HB2 1 1 12 5144 1 1 26 HIS HB3 H -7.539 5.027 -6.522 1.00 . A A . 54 HIS HB3 1 1 12 5145 1 1 26 HIS HD1 H -6.786 2.262 -7.275 1.00 . A A . 54 HIS HD1 1 1 12 5146 1 1 26 HIS HD2 H -6.882 3.452 -3.281 1.00 . A A . 54 HIS HD2 1 1 12 5147 1 1 26 HIS HE1 H -7.055 0.149 -5.906 1.00 . A A . 54 HIS HE1 1 1 12 5148 1 1 26 HIS N N -4.504 5.882 -6.466 1.00 . A A . 54 HIS N 1 1 12 5149 1 1 26 HIS ND1 N -6.842 2.248 -6.298 1.00 . A A . 54 HIS ND1 1 1 12 5150 1 1 26 HIS NE2 N -7.019 1.470 -4.226 1.00 . A A . 54 HIS NE2 1 1 12 5151 1 1 26 HIS O O -6.075 6.313 -8.704 1.00 . A A . 54 HIS O 1 1 12 5152 1 1 27 GLY C C -8.104 4.933 -10.492 1.00 . A A . 55 GLY C 1 1 12 5153 1 1 27 GLY CA C -6.660 4.432 -10.539 1.00 . A A . 55 GLY CA 1 1 12 5154 1 1 27 GLY H H -6.057 3.243 -8.846 1.00 . A A . 55 GLY H 1 1 12 5155 1 1 27 GLY HA2 H -6.031 5.182 -10.998 1.00 . A A . 55 GLY HA2 1 1 12 5156 1 1 27 GLY HA3 H -6.617 3.522 -11.117 1.00 . A A . 55 GLY HA3 1 1 12 5157 1 1 27 GLY N N -6.181 4.166 -9.153 1.00 . A A . 55 GLY N 1 1 12 5158 1 1 27 GLY O O -8.637 5.244 -11.546 1.00 . A A . 55 GLY O 1 1 12 5159 1 1 27 GLY OXT O -8.653 5.000 -9.404 1.00 . A A . 55 GLY OXT 1 1 12 5160 2 2 1 ZN ZN ZN -5.480 0.155 -3.908 1.00 . B A . 84 ZN ZN 1 1 13 5161 1 1 1 GLU C C 6.502 -7.495 8.240 1.00 . A A . 29 GLU C 1 1 13 5162 1 1 1 GLU CA C 6.632 -6.523 9.414 1.00 . A A . 29 GLU CA 1 1 13 5163 1 1 1 GLU CB C 6.967 -5.125 8.887 1.00 . A A . 29 GLU CB 1 1 13 5164 1 1 1 GLU CD C 6.217 -3.285 7.373 1.00 . A A . 29 GLU CD 1 1 13 5165 1 1 1 GLU CG C 5.944 -4.721 7.824 1.00 . A A . 29 GLU CG 1 1 13 5166 1 1 1 GLU H1 H 7.945 -6.231 11.004 1.00 . A A . 29 GLU H1 1 1 13 5167 1 1 1 GLU H2 H 8.565 -7.212 9.763 1.00 . A A . 29 GLU H2 1 1 13 5168 1 1 1 GLU H3 H 7.404 -7.830 10.838 1.00 . A A . 29 GLU H3 1 1 13 5169 1 1 1 GLU HA H 5.699 -6.488 9.958 1.00 . A A . 29 GLU HA 1 1 13 5170 1 1 1 GLU HB2 H 6.939 -4.418 9.702 1.00 . A A . 29 GLU HB2 1 1 13 5171 1 1 1 GLU HB3 H 7.954 -5.133 8.450 1.00 . A A . 29 GLU HB3 1 1 13 5172 1 1 1 GLU HG2 H 6.024 -5.387 6.976 1.00 . A A . 29 GLU HG2 1 1 13 5173 1 1 1 GLU HG3 H 4.950 -4.783 8.239 1.00 . A A . 29 GLU HG3 1 1 13 5174 1 1 1 GLU N N 7.719 -6.984 10.323 1.00 . A A . 29 GLU N 1 1 13 5175 1 1 1 GLU O O 7.480 -7.889 7.635 1.00 . A A . 29 GLU O 1 1 13 5176 1 1 1 GLU OE1 O 7.120 -3.098 6.576 1.00 . A A . 29 GLU OE1 1 1 13 5177 1 1 1 GLU OE2 O 5.517 -2.398 7.834 1.00 . A A . 29 GLU OE2 1 1 13 5178 1 1 2 LYS C C 4.609 -8.066 5.550 1.00 . A A . 30 LYS C 1 1 13 5179 1 1 2 LYS CA C 5.106 -8.834 6.778 1.00 . A A . 30 LYS CA 1 1 13 5180 1 1 2 LYS CB C 4.072 -9.891 7.173 1.00 . A A . 30 LYS CB 1 1 13 5181 1 1 2 LYS CD C 3.152 -10.060 9.491 1.00 . A A . 30 LYS CD 1 1 13 5182 1 1 2 LYS CE C 3.381 -10.653 10.883 1.00 . A A . 30 LYS CE 1 1 13 5183 1 1 2 LYS CG C 4.352 -10.376 8.598 1.00 . A A . 30 LYS CG 1 1 13 5184 1 1 2 LYS H H 4.525 -7.557 8.413 1.00 . A A . 30 LYS H 1 1 13 5185 1 1 2 LYS HA H 6.044 -9.317 6.547 1.00 . A A . 30 LYS HA 1 1 13 5186 1 1 2 LYS HB2 H 3.082 -9.460 7.128 1.00 . A A . 30 LYS HB2 1 1 13 5187 1 1 2 LYS HB3 H 4.130 -10.727 6.493 1.00 . A A . 30 LYS HB3 1 1 13 5188 1 1 2 LYS HD2 H 3.033 -8.990 9.569 1.00 . A A . 30 LYS HD2 1 1 13 5189 1 1 2 LYS HD3 H 2.260 -10.491 9.062 1.00 . A A . 30 LYS HD3 1 1 13 5190 1 1 2 LYS HE2 H 3.675 -11.688 10.789 1.00 . A A . 30 LYS HE2 1 1 13 5191 1 1 2 LYS HE3 H 4.163 -10.101 11.384 1.00 . A A . 30 LYS HE3 1 1 13 5192 1 1 2 LYS HG2 H 4.525 -11.443 8.587 1.00 . A A . 30 LYS HG2 1 1 13 5193 1 1 2 LYS HG3 H 5.227 -9.874 8.984 1.00 . A A . 30 LYS HG3 1 1 13 5194 1 1 2 LYS HZ1 H 2.341 -10.677 12.687 1.00 . A A . 30 LYS HZ1 1 1 13 5195 1 1 2 LYS HZ2 H 1.471 -11.315 11.379 1.00 . A A . 30 LYS HZ2 1 1 13 5196 1 1 2 LYS HZ3 H 1.680 -9.634 11.520 1.00 . A A . 30 LYS HZ3 1 1 13 5197 1 1 2 LYS N N 5.300 -7.887 7.912 1.00 . A A . 30 LYS N 1 1 13 5198 1 1 2 LYS NZ N 2.123 -10.563 11.677 1.00 . A A . 30 LYS NZ 1 1 13 5199 1 1 2 LYS O O 3.965 -7.043 5.669 1.00 . A A . 30 LYS O 1 1 13 5200 1 1 3 PRO C C 3.052 -7.393 3.165 1.00 . A A . 31 PRO C 1 1 13 5201 1 1 3 PRO CA C 4.487 -7.922 3.102 1.00 . A A . 31 PRO CA 1 1 13 5202 1 1 3 PRO CB C 4.600 -9.056 2.085 1.00 . A A . 31 PRO CB 1 1 13 5203 1 1 3 PRO CD C 5.680 -9.792 4.143 1.00 . A A . 31 PRO CD 1 1 13 5204 1 1 3 PRO CG C 5.660 -9.965 2.620 1.00 . A A . 31 PRO CG 1 1 13 5205 1 1 3 PRO HA H 5.169 -7.131 2.837 1.00 . A A . 31 PRO HA 1 1 13 5206 1 1 3 PRO HB2 H 3.657 -9.581 2.006 1.00 . A A . 31 PRO HB2 1 1 13 5207 1 1 3 PRO HB3 H 4.898 -8.669 1.123 1.00 . A A . 31 PRO HB3 1 1 13 5208 1 1 3 PRO HD2 H 5.208 -10.637 4.624 1.00 . A A . 31 PRO HD2 1 1 13 5209 1 1 3 PRO HD3 H 6.693 -9.669 4.496 1.00 . A A . 31 PRO HD3 1 1 13 5210 1 1 3 PRO HG2 H 5.426 -10.990 2.365 1.00 . A A . 31 PRO HG2 1 1 13 5211 1 1 3 PRO HG3 H 6.621 -9.692 2.212 1.00 . A A . 31 PRO HG3 1 1 13 5212 1 1 3 PRO N N 4.908 -8.561 4.379 1.00 . A A . 31 PRO N 1 1 13 5213 1 1 3 PRO O O 2.149 -8.072 3.612 1.00 . A A . 31 PRO O 1 1 13 5214 1 1 4 PHE C C 1.042 -5.174 1.362 1.00 . A A . 32 PHE C 1 1 13 5215 1 1 4 PHE CA C 1.459 -5.613 2.766 1.00 . A A . 32 PHE CA 1 1 13 5216 1 1 4 PHE CB C 1.438 -4.404 3.705 1.00 . A A . 32 PHE CB 1 1 13 5217 1 1 4 PHE CD1 C -0.976 -4.071 4.350 1.00 . A A . 32 PHE CD1 1 1 13 5218 1 1 4 PHE CD2 C 0.511 -5.161 5.924 1.00 . A A . 32 PHE CD2 1 1 13 5219 1 1 4 PHE CE1 C -2.035 -4.205 5.256 1.00 . A A . 32 PHE CE1 1 1 13 5220 1 1 4 PHE CE2 C -0.547 -5.295 6.830 1.00 . A A . 32 PHE CE2 1 1 13 5221 1 1 4 PHE CG C 0.297 -4.548 4.683 1.00 . A A . 32 PHE CG 1 1 13 5222 1 1 4 PHE CZ C -1.820 -4.817 6.496 1.00 . A A . 32 PHE CZ 1 1 13 5223 1 1 4 PHE H H 3.577 -5.650 2.371 1.00 . A A . 32 PHE H 1 1 13 5224 1 1 4 PHE HA H 0.771 -6.362 3.128 1.00 . A A . 32 PHE HA 1 1 13 5225 1 1 4 PHE HB2 H 2.371 -4.351 4.245 1.00 . A A . 32 PHE HB2 1 1 13 5226 1 1 4 PHE HB3 H 1.303 -3.502 3.127 1.00 . A A . 32 PHE HB3 1 1 13 5227 1 1 4 PHE HD1 H -1.141 -3.598 3.393 1.00 . A A . 32 PHE HD1 1 1 13 5228 1 1 4 PHE HD2 H 1.493 -5.530 6.182 1.00 . A A . 32 PHE HD2 1 1 13 5229 1 1 4 PHE HE1 H -3.016 -3.836 4.998 1.00 . A A . 32 PHE HE1 1 1 13 5230 1 1 4 PHE HE2 H -0.382 -5.767 7.788 1.00 . A A . 32 PHE HE2 1 1 13 5231 1 1 4 PHE HZ H -2.637 -4.920 7.195 1.00 . A A . 32 PHE HZ 1 1 13 5232 1 1 4 PHE N N 2.835 -6.184 2.725 1.00 . A A . 32 PHE N 1 1 13 5233 1 1 4 PHE O O 1.552 -4.210 0.824 1.00 . A A . 32 PHE O 1 1 13 5234 1 1 5 SER C C -1.774 -4.950 -0.514 1.00 . A A . 33 SER C 1 1 13 5235 1 1 5 SER CA C -0.346 -5.490 -0.597 1.00 . A A . 33 SER CA 1 1 13 5236 1 1 5 SER CB C -0.311 -6.716 -1.509 1.00 . A A . 33 SER CB 1 1 13 5237 1 1 5 SER H H -0.289 -6.640 1.221 1.00 . A A . 33 SER H 1 1 13 5238 1 1 5 SER HA H 0.305 -4.725 -0.995 1.00 . A A . 33 SER HA 1 1 13 5239 1 1 5 SER HB2 H -1.298 -7.141 -1.583 1.00 . A A . 33 SER HB2 1 1 13 5240 1 1 5 SER HB3 H 0.027 -6.422 -2.494 1.00 . A A . 33 SER HB3 1 1 13 5241 1 1 5 SER HG H 0.334 -7.817 -0.039 1.00 . A A . 33 SER HG 1 1 13 5242 1 1 5 SER N N 0.112 -5.869 0.768 1.00 . A A . 33 SER N 1 1 13 5243 1 1 5 SER O O -2.532 -5.306 0.368 1.00 . A A . 33 SER O 1 1 13 5244 1 1 5 SER OG O 0.574 -7.685 -0.960 1.00 . A A . 33 SER OG 1 1 13 5245 1 1 6 CYS C C -4.527 -4.574 -1.895 1.00 . A A . 34 CYS C 1 1 13 5246 1 1 6 CYS CA C -3.531 -3.529 -1.383 1.00 . A A . 34 CYS CA 1 1 13 5247 1 1 6 CYS CB C -3.601 -2.283 -2.268 1.00 . A A . 34 CYS CB 1 1 13 5248 1 1 6 CYS H H -1.526 -3.812 -2.123 1.00 . A A . 34 CYS H 1 1 13 5249 1 1 6 CYS HA H -3.783 -3.261 -0.367 1.00 . A A . 34 CYS HA 1 1 13 5250 1 1 6 CYS HB2 H -2.809 -1.603 -1.992 1.00 . A A . 34 CYS HB2 1 1 13 5251 1 1 6 CYS HB3 H -3.484 -2.571 -3.303 1.00 . A A . 34 CYS HB3 1 1 13 5252 1 1 6 CYS N N -2.152 -4.091 -1.421 1.00 . A A . 34 CYS N 1 1 13 5253 1 1 6 CYS O O -4.158 -5.678 -2.241 1.00 . A A . 34 CYS O 1 1 13 5254 1 1 6 CYS SG S -5.202 -1.472 -2.043 1.00 . A A . 34 CYS SG 1 1 13 5255 1 1 7 SER C C -6.845 -5.182 -3.958 1.00 . A A . 35 SER C 1 1 13 5256 1 1 7 SER CA C -6.805 -5.207 -2.429 1.00 . A A . 35 SER CA 1 1 13 5257 1 1 7 SER CB C -8.179 -4.825 -1.878 1.00 . A A . 35 SER CB 1 1 13 5258 1 1 7 SER H H -6.063 -3.337 -1.657 1.00 . A A . 35 SER H 1 1 13 5259 1 1 7 SER HA H -6.545 -6.199 -2.092 1.00 . A A . 35 SER HA 1 1 13 5260 1 1 7 SER HB2 H -8.319 -3.759 -1.961 1.00 . A A . 35 SER HB2 1 1 13 5261 1 1 7 SER HB3 H -8.947 -5.333 -2.446 1.00 . A A . 35 SER HB3 1 1 13 5262 1 1 7 SER HG H -9.084 -5.670 -0.377 1.00 . A A . 35 SER HG 1 1 13 5263 1 1 7 SER N N -5.786 -4.233 -1.942 1.00 . A A . 35 SER N 1 1 13 5264 1 1 7 SER O O -6.144 -5.922 -4.619 1.00 . A A . 35 SER O 1 1 13 5265 1 1 7 SER OG O -8.256 -5.201 -0.509 1.00 . A A . 35 SER OG 1 1 13 5266 1 1 8 LEU C C -6.736 -3.221 -6.517 1.00 . A A . 36 LEU C 1 1 13 5267 1 1 8 LEU CA C -7.735 -4.262 -6.012 1.00 . A A . 36 LEU CA 1 1 13 5268 1 1 8 LEU CB C -9.149 -3.862 -6.436 1.00 . A A . 36 LEU CB 1 1 13 5269 1 1 8 LEU CD1 C -10.773 -4.080 -8.321 1.00 . A A . 36 LEU CD1 1 1 13 5270 1 1 8 LEU CD2 C -8.628 -2.845 -8.658 1.00 . A A . 36 LEU CD2 1 1 13 5271 1 1 8 LEU CG C -9.291 -4.029 -7.949 1.00 . A A . 36 LEU CG 1 1 13 5272 1 1 8 LEU H H -8.210 -3.742 -3.981 1.00 . A A . 36 LEU H 1 1 13 5273 1 1 8 LEU HA H -7.491 -5.227 -6.432 1.00 . A A . 36 LEU HA 1 1 13 5274 1 1 8 LEU HB2 H -9.867 -4.494 -5.933 1.00 . A A . 36 LEU HB2 1 1 13 5275 1 1 8 LEU HB3 H -9.327 -2.832 -6.169 1.00 . A A . 36 LEU HB3 1 1 13 5276 1 1 8 LEU HD11 H -10.882 -3.950 -9.387 1.00 . A A . 36 LEU HD11 1 1 13 5277 1 1 8 LEU HD12 H -11.301 -3.292 -7.805 1.00 . A A . 36 LEU HD12 1 1 13 5278 1 1 8 LEU HD13 H -11.183 -5.037 -8.031 1.00 . A A . 36 LEU HD13 1 1 13 5279 1 1 8 LEU HD21 H -8.736 -1.956 -8.055 1.00 . A A . 36 LEU HD21 1 1 13 5280 1 1 8 LEU HD22 H -9.100 -2.689 -9.617 1.00 . A A . 36 LEU HD22 1 1 13 5281 1 1 8 LEU HD23 H -7.579 -3.055 -8.803 1.00 . A A . 36 LEU HD23 1 1 13 5282 1 1 8 LEU HG H -8.813 -4.948 -8.255 1.00 . A A . 36 LEU HG 1 1 13 5283 1 1 8 LEU N N -7.657 -4.332 -4.528 1.00 . A A . 36 LEU N 1 1 13 5284 1 1 8 LEU O O -7.042 -2.051 -6.632 1.00 . A A . 36 LEU O 1 1 13 5285 1 1 9 CYS C C -3.120 -3.300 -7.075 1.00 . A A . 37 CYS C 1 1 13 5286 1 1 9 CYS CA C -4.506 -2.696 -7.312 1.00 . A A . 37 CYS CA 1 1 13 5287 1 1 9 CYS CB C -4.621 -1.365 -6.564 1.00 . A A . 37 CYS CB 1 1 13 5288 1 1 9 CYS H H -5.325 -4.593 -6.709 1.00 . A A . 37 CYS H 1 1 13 5289 1 1 9 CYS HA H -4.650 -2.529 -8.369 1.00 . A A . 37 CYS HA 1 1 13 5290 1 1 9 CYS HB2 H -3.653 -0.884 -6.536 1.00 . A A . 37 CYS HB2 1 1 13 5291 1 1 9 CYS HB3 H -5.325 -0.725 -7.074 1.00 . A A . 37 CYS HB3 1 1 13 5292 1 1 9 CYS N N -5.542 -3.644 -6.815 1.00 . A A . 37 CYS N 1 1 13 5293 1 1 9 CYS O O -2.530 -3.129 -6.027 1.00 . A A . 37 CYS O 1 1 13 5294 1 1 9 CYS SG S -5.193 -1.665 -4.874 1.00 . A A . 37 CYS SG 1 1 13 5295 1 1 10 PRO C C -0.195 -3.723 -7.414 1.00 . A A . 38 PRO C 1 1 13 5296 1 1 10 PRO CA C -1.275 -4.664 -7.959 1.00 . A A . 38 PRO CA 1 1 13 5297 1 1 10 PRO CB C -0.968 -5.053 -9.405 1.00 . A A . 38 PRO CB 1 1 13 5298 1 1 10 PRO CD C -3.260 -4.260 -9.344 1.00 . A A . 38 PRO CD 1 1 13 5299 1 1 10 PRO CG C -2.299 -5.209 -10.064 1.00 . A A . 38 PRO CG 1 1 13 5300 1 1 10 PRO HA H -1.335 -5.553 -7.353 1.00 . A A . 38 PRO HA 1 1 13 5301 1 1 10 PRO HB2 H -0.396 -4.272 -9.889 1.00 . A A . 38 PRO HB2 1 1 13 5302 1 1 10 PRO HB3 H -0.430 -5.987 -9.436 1.00 . A A . 38 PRO HB3 1 1 13 5303 1 1 10 PRO HD2 H -3.369 -3.340 -9.902 1.00 . A A . 38 PRO HD2 1 1 13 5304 1 1 10 PRO HD3 H -4.219 -4.731 -9.196 1.00 . A A . 38 PRO HD3 1 1 13 5305 1 1 10 PRO HG2 H -2.226 -4.943 -11.109 1.00 . A A . 38 PRO HG2 1 1 13 5306 1 1 10 PRO HG3 H -2.648 -6.223 -9.961 1.00 . A A . 38 PRO HG3 1 1 13 5307 1 1 10 PRO N N -2.611 -4.008 -8.047 1.00 . A A . 38 PRO N 1 1 13 5308 1 1 10 PRO O O 0.589 -3.165 -8.157 1.00 . A A . 38 PRO O 1 1 13 5309 1 1 11 GLN C C 1.265 -3.142 -4.135 1.00 . A A . 39 GLN C 1 1 13 5310 1 1 11 GLN CA C 0.883 -2.641 -5.532 1.00 . A A . 39 GLN CA 1 1 13 5311 1 1 11 GLN CB C 0.321 -1.222 -5.428 1.00 . A A . 39 GLN CB 1 1 13 5312 1 1 11 GLN CD C 0.238 -0.745 -2.976 1.00 . A A . 39 GLN CD 1 1 13 5313 1 1 11 GLN CG C -0.594 -1.120 -4.205 1.00 . A A . 39 GLN CG 1 1 13 5314 1 1 11 GLN H H -0.788 -4.003 -5.539 1.00 . A A . 39 GLN H 1 1 13 5315 1 1 11 GLN HA H 1.759 -2.636 -6.162 1.00 . A A . 39 GLN HA 1 1 13 5316 1 1 11 GLN HB2 H 1.135 -0.519 -5.329 1.00 . A A . 39 GLN HB2 1 1 13 5317 1 1 11 GLN HB3 H -0.247 -0.994 -6.318 1.00 . A A . 39 GLN HB3 1 1 13 5318 1 1 11 GLN HE21 H 1.356 0.570 -3.957 1.00 . A A . 39 GLN HE21 1 1 13 5319 1 1 11 GLN HE22 H 1.720 0.393 -2.309 1.00 . A A . 39 GLN HE22 1 1 13 5320 1 1 11 GLN HG2 H -1.343 -0.362 -4.378 1.00 . A A . 39 GLN HG2 1 1 13 5321 1 1 11 GLN HG3 H -1.075 -2.071 -4.035 1.00 . A A . 39 GLN HG3 1 1 13 5322 1 1 11 GLN N N -0.147 -3.543 -6.121 1.00 . A A . 39 GLN N 1 1 13 5323 1 1 11 GLN NE2 N 1.183 0.147 -3.091 1.00 . A A . 39 GLN NE2 1 1 13 5324 1 1 11 GLN O O 0.420 -3.518 -3.346 1.00 . A A . 39 GLN O 1 1 13 5325 1 1 11 GLN OE1 O 0.024 -1.269 -1.901 1.00 . A A . 39 GLN OE1 1 1 13 5326 1 1 12 ARG C C 3.864 -2.567 -1.834 1.00 . A A . 40 ARG C 1 1 13 5327 1 1 12 ARG CA C 2.969 -3.625 -2.481 1.00 . A A . 40 ARG CA 1 1 13 5328 1 1 12 ARG CB C 3.749 -4.934 -2.631 1.00 . A A . 40 ARG CB 1 1 13 5329 1 1 12 ARG CD C 3.657 -7.162 -3.759 1.00 . A A . 40 ARG CD 1 1 13 5330 1 1 12 ARG CG C 3.235 -5.695 -3.853 1.00 . A A . 40 ARG CG 1 1 13 5331 1 1 12 ARG CZ C 3.851 -8.745 -1.935 1.00 . A A . 40 ARG CZ 1 1 13 5332 1 1 12 ARG H H 3.199 -2.843 -4.475 1.00 . A A . 40 ARG H 1 1 13 5333 1 1 12 ARG HA H 2.102 -3.792 -1.859 1.00 . A A . 40 ARG HA 1 1 13 5334 1 1 12 ARG HB2 H 4.800 -4.713 -2.758 1.00 . A A . 40 ARG HB2 1 1 13 5335 1 1 12 ARG HB3 H 3.612 -5.539 -1.748 1.00 . A A . 40 ARG HB3 1 1 13 5336 1 1 12 ARG HD2 H 3.193 -7.722 -4.557 1.00 . A A . 40 ARG HD2 1 1 13 5337 1 1 12 ARG HD3 H 4.731 -7.234 -3.844 1.00 . A A . 40 ARG HD3 1 1 13 5338 1 1 12 ARG HE H 2.470 -7.319 -1.968 1.00 . A A . 40 ARG HE 1 1 13 5339 1 1 12 ARG HG2 H 2.157 -5.630 -3.889 1.00 . A A . 40 ARG HG2 1 1 13 5340 1 1 12 ARG HG3 H 3.651 -5.259 -4.750 1.00 . A A . 40 ARG HG3 1 1 13 5341 1 1 12 ARG HH11 H 5.151 -8.901 -3.450 1.00 . A A . 40 ARG HH11 1 1 13 5342 1 1 12 ARG HH12 H 5.337 -10.063 -2.179 1.00 . A A . 40 ARG HH12 1 1 13 5343 1 1 12 ARG HH21 H 2.700 -8.825 -0.300 1.00 . A A . 40 ARG HH21 1 1 13 5344 1 1 12 ARG HH22 H 3.950 -10.020 -0.395 1.00 . A A . 40 ARG HH22 1 1 13 5345 1 1 12 ARG N N 2.534 -3.150 -3.825 1.00 . A A . 40 ARG N 1 1 13 5346 1 1 12 ARG NE N 3.225 -7.720 -2.446 1.00 . A A . 40 ARG NE 1 1 13 5347 1 1 12 ARG NH1 N 4.859 -9.277 -2.571 1.00 . A A . 40 ARG NH1 1 1 13 5348 1 1 12 ARG NH2 N 3.471 -9.234 -0.788 1.00 . A A . 40 ARG NH2 1 1 13 5349 1 1 12 ARG O O 4.835 -2.122 -2.415 1.00 . A A . 40 ARG O 1 1 13 5350 1 1 13 SER C C 5.019 -1.718 1.296 1.00 . A A . 41 SER C 1 1 13 5351 1 1 13 SER CA C 4.378 -1.122 0.041 1.00 . A A . 41 SER CA 1 1 13 5352 1 1 13 SER CB C 3.496 0.062 0.436 1.00 . A A . 41 SER CB 1 1 13 5353 1 1 13 SER H H 2.757 -2.525 -0.186 1.00 . A A . 41 SER H 1 1 13 5354 1 1 13 SER HA H 5.153 -0.785 -0.632 1.00 . A A . 41 SER HA 1 1 13 5355 1 1 13 SER HB2 H 4.062 0.975 0.364 1.00 . A A . 41 SER HB2 1 1 13 5356 1 1 13 SER HB3 H 2.646 0.114 -0.230 1.00 . A A . 41 SER HB3 1 1 13 5357 1 1 13 SER HG H 3.820 -0.314 2.318 1.00 . A A . 41 SER HG 1 1 13 5358 1 1 13 SER N N 3.545 -2.155 -0.637 1.00 . A A . 41 SER N 1 1 13 5359 1 1 13 SER O O 5.015 -2.916 1.499 1.00 . A A . 41 SER O 1 1 13 5360 1 1 13 SER OG O 3.054 -0.111 1.776 1.00 . A A . 41 SER OG 1 1 13 5361 1 1 14 ARG C C 5.645 -0.647 4.590 1.00 . A A . 42 ARG C 1 1 13 5362 1 1 14 ARG CA C 6.208 -1.401 3.384 1.00 . A A . 42 ARG CA 1 1 13 5363 1 1 14 ARG CB C 7.721 -1.181 3.306 1.00 . A A . 42 ARG CB 1 1 13 5364 1 1 14 ARG CD C 8.722 -3.384 2.679 1.00 . A A . 42 ARG CD 1 1 13 5365 1 1 14 ARG CG C 8.299 -2.009 2.157 1.00 . A A . 42 ARG CG 1 1 13 5366 1 1 14 ARG CZ C 9.047 -4.502 0.555 1.00 . A A . 42 ARG CZ 1 1 13 5367 1 1 14 ARG H H 5.558 0.074 1.956 1.00 . A A . 42 ARG H 1 1 13 5368 1 1 14 ARG HA H 6.002 -2.456 3.487 1.00 . A A . 42 ARG HA 1 1 13 5369 1 1 14 ARG HB2 H 7.923 -0.134 3.132 1.00 . A A . 42 ARG HB2 1 1 13 5370 1 1 14 ARG HB3 H 8.178 -1.487 4.234 1.00 . A A . 42 ARG HB3 1 1 13 5371 1 1 14 ARG HD2 H 9.280 -3.266 3.597 1.00 . A A . 42 ARG HD2 1 1 13 5372 1 1 14 ARG HD3 H 7.843 -3.984 2.866 1.00 . A A . 42 ARG HD3 1 1 13 5373 1 1 14 ARG HE H 10.536 -4.171 1.825 1.00 . A A . 42 ARG HE 1 1 13 5374 1 1 14 ARG HG2 H 7.550 -2.131 1.388 1.00 . A A . 42 ARG HG2 1 1 13 5375 1 1 14 ARG HG3 H 9.159 -1.503 1.745 1.00 . A A . 42 ARG HG3 1 1 13 5376 1 1 14 ARG HH11 H 7.195 -3.899 1.021 1.00 . A A . 42 ARG HH11 1 1 13 5377 1 1 14 ARG HH12 H 7.361 -4.691 -0.510 1.00 . A A . 42 ARG HH12 1 1 13 5378 1 1 14 ARG HH21 H 10.773 -5.208 -0.171 1.00 . A A . 42 ARG HH21 1 1 13 5379 1 1 14 ARG HH22 H 9.386 -5.432 -1.184 1.00 . A A . 42 ARG HH22 1 1 13 5380 1 1 14 ARG N N 5.568 -0.889 2.140 1.00 . A A . 42 ARG N 1 1 13 5381 1 1 14 ARG NE N 9.577 -4.060 1.662 1.00 . A A . 42 ARG NE 1 1 13 5382 1 1 14 ARG NH1 N 7.768 -4.352 0.339 1.00 . A A . 42 ARG NH1 1 1 13 5383 1 1 14 ARG NH2 N 9.793 -5.093 -0.336 1.00 . A A . 42 ARG NH2 1 1 13 5384 1 1 14 ARG O O 5.272 -1.238 5.585 1.00 . A A . 42 ARG O 1 1 13 5385 1 1 15 ASP C C 3.725 2.112 5.224 1.00 . A A . 43 ASP C 1 1 13 5386 1 1 15 ASP CA C 5.037 1.447 5.648 1.00 . A A . 43 ASP CA 1 1 13 5387 1 1 15 ASP CB C 6.049 2.524 6.045 1.00 . A A . 43 ASP CB 1 1 13 5388 1 1 15 ASP CG C 6.364 2.406 7.536 1.00 . A A . 43 ASP CG 1 1 13 5389 1 1 15 ASP H H 5.883 1.109 3.696 1.00 . A A . 43 ASP H 1 1 13 5390 1 1 15 ASP HA H 4.856 0.794 6.489 1.00 . A A . 43 ASP HA 1 1 13 5391 1 1 15 ASP HB2 H 6.957 2.392 5.473 1.00 . A A . 43 ASP HB2 1 1 13 5392 1 1 15 ASP HB3 H 5.635 3.500 5.842 1.00 . A A . 43 ASP HB3 1 1 13 5393 1 1 15 ASP N N 5.578 0.654 4.508 1.00 . A A . 43 ASP N 1 1 13 5394 1 1 15 ASP O O 3.329 2.046 4.077 1.00 . A A . 43 ASP O 1 1 13 5395 1 1 15 ASP OD1 O 6.829 1.354 7.943 1.00 . A A . 43 ASP OD1 1 1 13 5396 1 1 15 ASP OD2 O 6.134 3.370 8.248 1.00 . A A . 43 ASP OD2 1 1 13 5397 1 1 16 PHE C C 2.056 4.702 4.999 1.00 . A A . 44 PHE C 1 1 13 5398 1 1 16 PHE CA C 1.765 3.419 5.780 1.00 . A A . 44 PHE CA 1 1 13 5399 1 1 16 PHE CB C 0.992 3.760 7.054 1.00 . A A . 44 PHE CB 1 1 13 5400 1 1 16 PHE CD1 C -0.836 2.072 6.650 1.00 . A A . 44 PHE CD1 1 1 13 5401 1 1 16 PHE CD2 C -1.441 4.406 6.909 1.00 . A A . 44 PHE CD2 1 1 13 5402 1 1 16 PHE CE1 C -2.186 1.741 6.475 1.00 . A A . 44 PHE CE1 1 1 13 5403 1 1 16 PHE CE2 C -2.791 4.075 6.734 1.00 . A A . 44 PHE CE2 1 1 13 5404 1 1 16 PHE CG C -0.464 3.404 6.867 1.00 . A A . 44 PHE CG 1 1 13 5405 1 1 16 PHE CZ C -3.163 2.743 6.518 1.00 . A A . 44 PHE CZ 1 1 13 5406 1 1 16 PHE H H 3.384 2.795 7.056 1.00 . A A . 44 PHE H 1 1 13 5407 1 1 16 PHE HA H 1.174 2.753 5.169 1.00 . A A . 44 PHE HA 1 1 13 5408 1 1 16 PHE HB2 H 1.397 3.197 7.883 1.00 . A A . 44 PHE HB2 1 1 13 5409 1 1 16 PHE HB3 H 1.080 4.816 7.257 1.00 . A A . 44 PHE HB3 1 1 13 5410 1 1 16 PHE HD1 H -0.083 1.299 6.617 1.00 . A A . 44 PHE HD1 1 1 13 5411 1 1 16 PHE HD2 H -1.155 5.433 7.077 1.00 . A A . 44 PHE HD2 1 1 13 5412 1 1 16 PHE HE1 H -2.472 0.714 6.307 1.00 . A A . 44 PHE HE1 1 1 13 5413 1 1 16 PHE HE2 H -3.544 4.848 6.768 1.00 . A A . 44 PHE HE2 1 1 13 5414 1 1 16 PHE HZ H -4.203 2.488 6.383 1.00 . A A . 44 PHE HZ 1 1 13 5415 1 1 16 PHE N N 3.049 2.752 6.137 1.00 . A A . 44 PHE N 1 1 13 5416 1 1 16 PHE O O 1.311 5.085 4.117 1.00 . A A . 44 PHE O 1 1 13 5417 1 1 17 SER C C 3.449 6.364 3.079 1.00 . A A . 45 SER C 1 1 13 5418 1 1 17 SER CA C 3.467 6.626 4.586 1.00 . A A . 45 SER CA 1 1 13 5419 1 1 17 SER CB C 4.860 7.100 5.004 1.00 . A A . 45 SER CB 1 1 13 5420 1 1 17 SER H H 3.720 5.043 6.026 1.00 . A A . 45 SER H 1 1 13 5421 1 1 17 SER HA H 2.741 7.387 4.829 1.00 . A A . 45 SER HA 1 1 13 5422 1 1 17 SER HB2 H 5.608 6.464 4.559 1.00 . A A . 45 SER HB2 1 1 13 5423 1 1 17 SER HB3 H 5.008 8.118 4.667 1.00 . A A . 45 SER HB3 1 1 13 5424 1 1 17 SER HG H 4.090 6.930 6.783 1.00 . A A . 45 SER HG 1 1 13 5425 1 1 17 SER N N 3.133 5.369 5.313 1.00 . A A . 45 SER N 1 1 13 5426 1 1 17 SER O O 2.930 7.148 2.310 1.00 . A A . 45 SER O 1 1 13 5427 1 1 17 SER OG O 4.972 7.035 6.419 1.00 . A A . 45 SER OG 1 1 13 5428 1 1 18 ALA C C 2.722 4.243 0.817 1.00 . A A . 46 ALA C 1 1 13 5429 1 1 18 ALA CA C 4.021 4.956 1.194 1.00 . A A . 46 ALA CA 1 1 13 5430 1 1 18 ALA CB C 5.210 4.048 0.875 1.00 . A A . 46 ALA CB 1 1 13 5431 1 1 18 ALA H H 4.422 4.646 3.288 1.00 . A A . 46 ALA H 1 1 13 5432 1 1 18 ALA HA H 4.106 5.873 0.630 1.00 . A A . 46 ALA HA 1 1 13 5433 1 1 18 ALA HB1 H 5.189 3.780 -0.171 1.00 . A A . 46 ALA HB1 1 1 13 5434 1 1 18 ALA HB2 H 5.152 3.153 1.477 1.00 . A A . 46 ALA HB2 1 1 13 5435 1 1 18 ALA HB3 H 6.130 4.569 1.094 1.00 . A A . 46 ALA HB3 1 1 13 5436 1 1 18 ALA N N 4.009 5.267 2.652 1.00 . A A . 46 ALA N 1 1 13 5437 1 1 18 ALA O O 2.191 4.427 -0.261 1.00 . A A . 46 ALA O 1 1 13 5438 1 1 19 MET C C -0.220 3.705 1.355 1.00 . A A . 47 MET C 1 1 13 5439 1 1 19 MET CA C 0.939 2.708 1.387 1.00 . A A . 47 MET CA 1 1 13 5440 1 1 19 MET CB C 0.672 1.654 2.463 1.00 . A A . 47 MET CB 1 1 13 5441 1 1 19 MET CE C -0.706 -1.747 0.606 1.00 . A A . 47 MET CE 1 1 13 5442 1 1 19 MET CG C -0.288 0.595 1.915 1.00 . A A . 47 MET CG 1 1 13 5443 1 1 19 MET H H 2.646 3.296 2.561 1.00 . A A . 47 MET H 1 1 13 5444 1 1 19 MET HA H 1.025 2.227 0.424 1.00 . A A . 47 MET HA 1 1 13 5445 1 1 19 MET HB2 H 1.603 1.186 2.745 1.00 . A A . 47 MET HB2 1 1 13 5446 1 1 19 MET HB3 H 0.228 2.125 3.326 1.00 . A A . 47 MET HB3 1 1 13 5447 1 1 19 MET HE1 H -1.301 -1.033 0.054 1.00 . A A . 47 MET HE1 1 1 13 5448 1 1 19 MET HE2 H -1.322 -2.246 1.342 1.00 . A A . 47 MET HE2 1 1 13 5449 1 1 19 MET HE3 H -0.301 -2.477 -0.076 1.00 . A A . 47 MET HE3 1 1 13 5450 1 1 19 MET HG2 H -1.009 0.336 2.676 1.00 . A A . 47 MET HG2 1 1 13 5451 1 1 19 MET HG3 H -0.802 0.988 1.050 1.00 . A A . 47 MET HG3 1 1 13 5452 1 1 19 MET N N 2.204 3.430 1.696 1.00 . A A . 47 MET N 1 1 13 5453 1 1 19 MET O O -1.204 3.505 0.673 1.00 . A A . 47 MET O 1 1 13 5454 1 1 19 MET SD S 0.646 -0.881 1.442 1.00 . A A . 47 MET SD 1 1 13 5455 1 1 20 THR C C -1.269 6.483 0.736 1.00 . A A . 48 THR C 1 1 13 5456 1 1 20 THR CA C -1.210 5.785 2.096 1.00 . A A . 48 THR CA 1 1 13 5457 1 1 20 THR CB C -0.952 6.825 3.187 1.00 . A A . 48 THR CB 1 1 13 5458 1 1 20 THR CG2 C -1.465 6.298 4.528 1.00 . A A . 48 THR CG2 1 1 13 5459 1 1 20 THR H H 0.690 4.925 2.633 1.00 . A A . 48 THR H 1 1 13 5460 1 1 20 THR HA H -2.150 5.289 2.286 1.00 . A A . 48 THR HA 1 1 13 5461 1 1 20 THR HB H -1.475 7.736 2.940 1.00 . A A . 48 THR HB 1 1 13 5462 1 1 20 THR HG1 H 0.573 7.783 3.920 1.00 . A A . 48 THR HG1 1 1 13 5463 1 1 20 THR HG21 H -0.986 6.837 5.333 1.00 . A A . 48 THR HG21 1 1 13 5464 1 1 20 THR HG22 H -1.234 5.246 4.613 1.00 . A A . 48 THR HG22 1 1 13 5465 1 1 20 THR HG23 H -2.533 6.438 4.586 1.00 . A A . 48 THR HG23 1 1 13 5466 1 1 20 THR N N -0.112 4.780 2.089 1.00 . A A . 48 THR N 1 1 13 5467 1 1 20 THR O O -2.324 6.642 0.156 1.00 . A A . 48 THR O 1 1 13 5468 1 1 20 THR OG1 O 0.441 7.083 3.276 1.00 . A A . 48 THR OG1 1 1 13 5469 1 1 21 LYS C C -0.876 6.679 -2.103 1.00 . A A . 49 LYS C 1 1 13 5470 1 1 21 LYS CA C -0.143 7.569 -1.107 1.00 . A A . 49 LYS CA 1 1 13 5471 1 1 21 LYS CB C 1.297 7.776 -1.581 1.00 . A A . 49 LYS CB 1 1 13 5472 1 1 21 LYS CD C 3.428 9.006 -1.151 1.00 . A A . 49 LYS CD 1 1 13 5473 1 1 21 LYS CE C 3.779 10.478 -1.368 1.00 . A A . 49 LYS CE 1 1 13 5474 1 1 21 LYS CG C 1.956 8.883 -0.756 1.00 . A A . 49 LYS CG 1 1 13 5475 1 1 21 LYS H H 0.700 6.746 0.696 1.00 . A A . 49 LYS H 1 1 13 5476 1 1 21 LYS HA H -0.643 8.522 -1.031 1.00 . A A . 49 LYS HA 1 1 13 5477 1 1 21 LYS HB2 H 1.851 6.856 -1.459 1.00 . A A . 49 LYS HB2 1 1 13 5478 1 1 21 LYS HB3 H 1.295 8.059 -2.623 1.00 . A A . 49 LYS HB3 1 1 13 5479 1 1 21 LYS HD2 H 4.047 8.598 -0.365 1.00 . A A . 49 LYS HD2 1 1 13 5480 1 1 21 LYS HD3 H 3.602 8.459 -2.065 1.00 . A A . 49 LYS HD3 1 1 13 5481 1 1 21 LYS HE2 H 3.202 10.869 -2.194 1.00 . A A . 49 LYS HE2 1 1 13 5482 1 1 21 LYS HE3 H 3.551 11.039 -0.473 1.00 . A A . 49 LYS HE3 1 1 13 5483 1 1 21 LYS HG2 H 1.451 9.820 -0.943 1.00 . A A . 49 LYS HG2 1 1 13 5484 1 1 21 LYS HG3 H 1.886 8.640 0.294 1.00 . A A . 49 LYS HG3 1 1 13 5485 1 1 21 LYS HZ1 H 5.366 11.267 -2.462 1.00 . A A . 49 LYS HZ1 1 1 13 5486 1 1 21 LYS HZ2 H 5.611 9.672 -1.940 1.00 . A A . 49 LYS HZ2 1 1 13 5487 1 1 21 LYS HZ3 H 5.734 10.955 -0.834 1.00 . A A . 49 LYS HZ3 1 1 13 5488 1 1 21 LYS N N -0.143 6.892 0.218 1.00 . A A . 49 LYS N 1 1 13 5489 1 1 21 LYS NZ N 5.232 10.603 -1.674 1.00 . A A . 49 LYS NZ 1 1 13 5490 1 1 21 LYS O O -1.614 7.143 -2.950 1.00 . A A . 49 LYS O 1 1 13 5491 1 1 22 HIS C C -2.866 4.723 -2.901 1.00 . A A . 50 HIS C 1 1 13 5492 1 1 22 HIS CA C -1.358 4.458 -2.927 1.00 . A A . 50 HIS CA 1 1 13 5493 1 1 22 HIS CB C -1.077 3.021 -2.485 1.00 . A A . 50 HIS CB 1 1 13 5494 1 1 22 HIS CD2 C -2.724 0.988 -2.222 1.00 . A A . 50 HIS CD2 1 1 13 5495 1 1 22 HIS CE1 C -4.165 1.565 -3.732 1.00 . A A . 50 HIS CE1 1 1 13 5496 1 1 22 HIS CG C -2.279 2.166 -2.771 1.00 . A A . 50 HIS CG 1 1 13 5497 1 1 22 HIS H H -0.080 5.049 -1.306 1.00 . A A . 50 HIS H 1 1 13 5498 1 1 22 HIS HA H -0.983 4.606 -3.929 1.00 . A A . 50 HIS HA 1 1 13 5499 1 1 22 HIS HB2 H -0.224 2.638 -3.024 1.00 . A A . 50 HIS HB2 1 1 13 5500 1 1 22 HIS HB3 H -0.868 3.006 -1.425 1.00 . A A . 50 HIS HB3 1 1 13 5501 1 1 22 HIS HD1 H -3.185 3.303 -4.308 1.00 . A A . 50 HIS HD1 1 1 13 5502 1 1 22 HIS HD2 H -2.224 0.440 -1.438 1.00 . A A . 50 HIS HD2 1 1 13 5503 1 1 22 HIS HE1 H -5.031 1.581 -4.374 1.00 . A A . 50 HIS HE1 1 1 13 5504 1 1 22 HIS N N -0.678 5.396 -2.000 1.00 . A A . 50 HIS N 1 1 13 5505 1 1 22 HIS ND1 N -3.214 2.511 -3.732 1.00 . A A . 50 HIS ND1 1 1 13 5506 1 1 22 HIS NE2 N -3.916 0.610 -2.831 1.00 . A A . 50 HIS NE2 1 1 13 5507 1 1 22 HIS O O -3.508 4.797 -3.929 1.00 . A A . 50 HIS O 1 1 13 5508 1 1 23 LEU C C -5.189 6.504 -2.276 1.00 . A A . 51 LEU C 1 1 13 5509 1 1 23 LEU CA C -4.904 5.129 -1.672 1.00 . A A . 51 LEU CA 1 1 13 5510 1 1 23 LEU CB C -5.368 5.102 -0.214 1.00 . A A . 51 LEU CB 1 1 13 5511 1 1 23 LEU CD1 C -3.865 3.232 0.486 1.00 . A A . 51 LEU CD1 1 1 13 5512 1 1 23 LEU CD2 C -6.031 3.602 1.670 1.00 . A A . 51 LEU CD2 1 1 13 5513 1 1 23 LEU CG C -5.321 3.668 0.315 1.00 . A A . 51 LEU CG 1 1 13 5514 1 1 23 LEU H H -2.910 4.809 -0.914 1.00 . A A . 51 LEU H 1 1 13 5515 1 1 23 LEU HA H -5.433 4.371 -2.236 1.00 . A A . 51 LEU HA 1 1 13 5516 1 1 23 LEU HB2 H -4.719 5.727 0.380 1.00 . A A . 51 LEU HB2 1 1 13 5517 1 1 23 LEU HB3 H -6.380 5.472 -0.153 1.00 . A A . 51 LEU HB3 1 1 13 5518 1 1 23 LEU HD11 H -3.456 2.953 -0.474 1.00 . A A . 51 LEU HD11 1 1 13 5519 1 1 23 LEU HD12 H -3.819 2.386 1.156 1.00 . A A . 51 LEU HD12 1 1 13 5520 1 1 23 LEU HD13 H -3.292 4.049 0.898 1.00 . A A . 51 LEU HD13 1 1 13 5521 1 1 23 LEU HD21 H -7.080 3.395 1.518 1.00 . A A . 51 LEU HD21 1 1 13 5522 1 1 23 LEU HD22 H -5.920 4.549 2.180 1.00 . A A . 51 LEU HD22 1 1 13 5523 1 1 23 LEU HD23 H -5.593 2.817 2.269 1.00 . A A . 51 LEU HD23 1 1 13 5524 1 1 23 LEU HG H -5.815 3.009 -0.385 1.00 . A A . 51 LEU HG 1 1 13 5525 1 1 23 LEU N N -3.439 4.868 -1.738 1.00 . A A . 51 LEU N 1 1 13 5526 1 1 23 LEU O O -6.157 6.695 -2.985 1.00 . A A . 51 LEU O 1 1 13 5527 1 1 24 ARG C C -4.191 8.796 -4.063 1.00 . A A . 52 ARG C 1 1 13 5528 1 1 24 ARG CA C -4.555 8.820 -2.578 1.00 . A A . 52 ARG CA 1 1 13 5529 1 1 24 ARG CB C -3.661 9.825 -1.848 1.00 . A A . 52 ARG CB 1 1 13 5530 1 1 24 ARG CD C -5.224 11.540 -0.923 1.00 . A A . 52 ARG CD 1 1 13 5531 1 1 24 ARG CG C -4.371 10.316 -0.585 1.00 . A A . 52 ARG CG 1 1 13 5532 1 1 24 ARG CZ C -4.127 13.479 0.029 1.00 . A A . 52 ARG CZ 1 1 13 5533 1 1 24 ARG H H -3.564 7.284 -1.443 1.00 . A A . 52 ARG H 1 1 13 5534 1 1 24 ARG HA H -5.591 9.105 -2.463 1.00 . A A . 52 ARG HA 1 1 13 5535 1 1 24 ARG HB2 H -2.731 9.348 -1.578 1.00 . A A . 52 ARG HB2 1 1 13 5536 1 1 24 ARG HB3 H -3.460 10.666 -2.496 1.00 . A A . 52 ARG HB3 1 1 13 5537 1 1 24 ARG HD2 H -5.726 11.380 -1.866 1.00 . A A . 52 ARG HD2 1 1 13 5538 1 1 24 ARG HD3 H -5.958 11.693 -0.145 1.00 . A A . 52 ARG HD3 1 1 13 5539 1 1 24 ARG HE H -3.937 12.976 -1.882 1.00 . A A . 52 ARG HE 1 1 13 5540 1 1 24 ARG HG2 H -5.004 9.530 -0.199 1.00 . A A . 52 ARG HG2 1 1 13 5541 1 1 24 ARG HG3 H -3.636 10.586 0.158 1.00 . A A . 52 ARG HG3 1 1 13 5542 1 1 24 ARG HH11 H -5.266 12.364 1.241 1.00 . A A . 52 ARG HH11 1 1 13 5543 1 1 24 ARG HH12 H -4.505 13.734 1.979 1.00 . A A . 52 ARG HH12 1 1 13 5544 1 1 24 ARG HH21 H -2.937 14.766 -0.937 1.00 . A A . 52 ARG HH21 1 1 13 5545 1 1 24 ARG HH22 H -3.187 15.094 0.745 1.00 . A A . 52 ARG HH22 1 1 13 5546 1 1 24 ARG N N -4.343 7.461 -2.009 1.00 . A A . 52 ARG N 1 1 13 5547 1 1 24 ARG NE N -4.349 12.740 -1.025 1.00 . A A . 52 ARG NE 1 1 13 5548 1 1 24 ARG NH1 N -4.675 13.168 1.172 1.00 . A A . 52 ARG NH1 1 1 13 5549 1 1 24 ARG NH2 N -3.357 14.528 -0.062 1.00 . A A . 52 ARG NH2 1 1 13 5550 1 1 24 ARG O O -4.596 9.648 -4.829 1.00 . A A . 52 ARG O 1 1 13 5551 1 1 25 THR C C -3.994 6.758 -6.621 1.00 . A A . 53 THR C 1 1 13 5552 1 1 25 THR CA C -3.042 7.722 -5.907 1.00 . A A . 53 THR CA 1 1 13 5553 1 1 25 THR CB C -1.602 7.203 -6.011 1.00 . A A . 53 THR CB 1 1 13 5554 1 1 25 THR CG2 C -1.610 5.697 -6.284 1.00 . A A . 53 THR CG2 1 1 13 5555 1 1 25 THR H H -3.122 7.139 -3.837 1.00 . A A . 53 THR H 1 1 13 5556 1 1 25 THR HA H -3.108 8.699 -6.363 1.00 . A A . 53 THR HA 1 1 13 5557 1 1 25 THR HB H -1.082 7.393 -5.083 1.00 . A A . 53 THR HB 1 1 13 5558 1 1 25 THR HG1 H -1.160 7.425 -7.892 1.00 . A A . 53 THR HG1 1 1 13 5559 1 1 25 THR HG21 H -2.374 5.225 -5.685 1.00 . A A . 53 THR HG21 1 1 13 5560 1 1 25 THR HG22 H -0.647 5.280 -6.031 1.00 . A A . 53 THR HG22 1 1 13 5561 1 1 25 THR HG23 H -1.816 5.521 -7.329 1.00 . A A . 53 THR HG23 1 1 13 5562 1 1 25 THR N N -3.433 7.817 -4.474 1.00 . A A . 53 THR N 1 1 13 5563 1 1 25 THR O O -4.018 6.678 -7.834 1.00 . A A . 53 THR O 1 1 13 5564 1 1 25 THR OG1 O -0.937 7.873 -7.072 1.00 . A A . 53 THR OG1 1 1 13 5565 1 1 26 HIS C C -6.186 5.602 -7.855 1.00 . A A . 54 HIS C 1 1 13 5566 1 1 26 HIS CA C -5.731 5.065 -6.496 1.00 . A A . 54 HIS CA 1 1 13 5567 1 1 26 HIS CB C -6.948 4.899 -5.581 1.00 . A A . 54 HIS CB 1 1 13 5568 1 1 26 HIS CD2 C -7.205 2.888 -3.908 1.00 . A A . 54 HIS CD2 1 1 13 5569 1 1 26 HIS CE1 C -7.194 1.273 -5.354 1.00 . A A . 54 HIS CE1 1 1 13 5570 1 1 26 HIS CG C -7.066 3.464 -5.147 1.00 . A A . 54 HIS CG 1 1 13 5571 1 1 26 HIS H H -4.736 6.112 -4.898 1.00 . A A . 54 HIS H 1 1 13 5572 1 1 26 HIS HA H -5.246 4.111 -6.628 1.00 . A A . 54 HIS HA 1 1 13 5573 1 1 26 HIS HB2 H -6.832 5.529 -4.712 1.00 . A A . 54 HIS HB2 1 1 13 5574 1 1 26 HIS HB3 H -7.841 5.186 -6.116 1.00 . A A . 54 HIS HB3 1 1 13 5575 1 1 26 HIS HD1 H -6.969 2.492 -7.024 1.00 . A A . 54 HIS HD1 1 1 13 5576 1 1 26 HIS HD2 H -7.244 3.426 -2.971 1.00 . A A . 54 HIS HD2 1 1 13 5577 1 1 26 HIS HE1 H -7.223 0.291 -5.799 1.00 . A A . 54 HIS HE1 1 1 13 5578 1 1 26 HIS N N -4.776 6.028 -5.874 1.00 . A A . 54 HIS N 1 1 13 5579 1 1 26 HIS ND1 N -7.060 2.416 -6.053 1.00 . A A . 54 HIS ND1 1 1 13 5580 1 1 26 HIS NE2 N -7.286 1.504 -4.041 1.00 . A A . 54 HIS NE2 1 1 13 5581 1 1 26 HIS O O -6.300 4.868 -8.817 1.00 . A A . 54 HIS O 1 1 13 5582 1 1 27 GLY C C -7.899 8.584 -8.972 1.00 . A A . 55 GLY C 1 1 13 5583 1 1 27 GLY CA C -6.897 7.461 -9.238 1.00 . A A . 55 GLY CA 1 1 13 5584 1 1 27 GLY H H -6.351 7.452 -7.154 1.00 . A A . 55 GLY H 1 1 13 5585 1 1 27 GLY HA2 H -6.042 7.856 -9.769 1.00 . A A . 55 GLY HA2 1 1 13 5586 1 1 27 GLY HA3 H -7.368 6.694 -9.833 1.00 . A A . 55 GLY HA3 1 1 13 5587 1 1 27 GLY N N -6.448 6.877 -7.942 1.00 . A A . 55 GLY N 1 1 13 5588 1 1 27 GLY O O -8.063 9.423 -9.843 1.00 . A A . 55 GLY O 1 1 13 5589 1 1 27 GLY OXT O -8.487 8.586 -7.903 1.00 . A A . 55 GLY OXT 1 1 13 5590 2 2 1 ZN ZN ZN -5.781 0.202 -3.571 1.00 . B A . 84 ZN ZN 1 1 14 5591 1 1 1 GLU C C 6.103 -5.601 8.335 1.00 . A A . 29 GLU C 1 1 14 5592 1 1 1 GLU CA C 6.325 -4.614 9.484 1.00 . A A . 29 GLU CA 1 1 14 5593 1 1 1 GLU CB C 7.693 -4.872 10.119 1.00 . A A . 29 GLU CB 1 1 14 5594 1 1 1 GLU CD C 10.153 -4.589 9.785 1.00 . A A . 29 GLU CD 1 1 14 5595 1 1 1 GLU CG C 8.794 -4.622 9.086 1.00 . A A . 29 GLU CG 1 1 14 5596 1 1 1 GLU H1 H 5.094 -3.895 11.000 1.00 . A A . 29 GLU H1 1 1 14 5597 1 1 1 GLU H2 H 5.558 -5.517 11.196 1.00 . A A . 29 GLU H2 1 1 14 5598 1 1 1 GLU H3 H 4.380 -5.100 10.044 1.00 . A A . 29 GLU H3 1 1 14 5599 1 1 1 GLU HA H 6.290 -3.604 9.102 1.00 . A A . 29 GLU HA 1 1 14 5600 1 1 1 GLU HB2 H 7.830 -4.207 10.960 1.00 . A A . 29 GLU HB2 1 1 14 5601 1 1 1 GLU HB3 H 7.745 -5.896 10.458 1.00 . A A . 29 GLU HB3 1 1 14 5602 1 1 1 GLU HG2 H 8.785 -5.415 8.352 1.00 . A A . 29 GLU HG2 1 1 14 5603 1 1 1 GLU HG3 H 8.619 -3.677 8.595 1.00 . A A . 29 GLU HG3 1 1 14 5604 1 1 1 GLU N N 5.259 -4.796 10.508 1.00 . A A . 29 GLU N 1 1 14 5605 1 1 1 GLU O O 6.524 -5.374 7.219 1.00 . A A . 29 GLU O 1 1 14 5606 1 1 1 GLU OE1 O 10.306 -3.800 10.703 1.00 . A A . 29 GLU OE1 1 1 14 5607 1 1 1 GLU OE2 O 11.020 -5.352 9.390 1.00 . A A . 29 GLU OE2 1 1 14 5608 1 1 2 LYS C C 4.626 -6.986 6.294 1.00 . A A . 30 LYS C 1 1 14 5609 1 1 2 LYS CA C 5.196 -7.695 7.524 1.00 . A A . 30 LYS CA 1 1 14 5610 1 1 2 LYS CB C 4.195 -8.741 8.020 1.00 . A A . 30 LYS CB 1 1 14 5611 1 1 2 LYS CD C 3.717 -10.270 9.939 1.00 . A A . 30 LYS CD 1 1 14 5612 1 1 2 LYS CE C 4.389 -11.435 9.208 1.00 . A A . 30 LYS CE 1 1 14 5613 1 1 2 LYS CG C 4.382 -8.955 9.523 1.00 . A A . 30 LYS CG 1 1 14 5614 1 1 2 LYS H H 5.113 -6.861 9.508 1.00 . A A . 30 LYS H 1 1 14 5615 1 1 2 LYS HA H 6.124 -8.181 7.265 1.00 . A A . 30 LYS HA 1 1 14 5616 1 1 2 LYS HB2 H 3.189 -8.396 7.826 1.00 . A A . 30 LYS HB2 1 1 14 5617 1 1 2 LYS HB3 H 4.361 -9.674 7.502 1.00 . A A . 30 LYS HB3 1 1 14 5618 1 1 2 LYS HD2 H 3.822 -10.405 11.006 1.00 . A A . 30 LYS HD2 1 1 14 5619 1 1 2 LYS HD3 H 2.670 -10.242 9.681 1.00 . A A . 30 LYS HD3 1 1 14 5620 1 1 2 LYS HE2 H 3.797 -11.708 8.347 1.00 . A A . 30 LYS HE2 1 1 14 5621 1 1 2 LYS HE3 H 5.376 -11.138 8.888 1.00 . A A . 30 LYS HE3 1 1 14 5622 1 1 2 LYS HG2 H 5.436 -8.996 9.752 1.00 . A A . 30 LYS HG2 1 1 14 5623 1 1 2 LYS HG3 H 3.927 -8.139 10.063 1.00 . A A . 30 LYS HG3 1 1 14 5624 1 1 2 LYS HZ1 H 5.409 -13.076 9.982 1.00 . A A . 30 LYS HZ1 1 1 14 5625 1 1 2 LYS HZ2 H 3.725 -13.273 9.929 1.00 . A A . 30 LYS HZ2 1 1 14 5626 1 1 2 LYS HZ3 H 4.425 -12.275 11.113 1.00 . A A . 30 LYS HZ3 1 1 14 5627 1 1 2 LYS N N 5.444 -6.696 8.601 1.00 . A A . 30 LYS N 1 1 14 5628 1 1 2 LYS NZ N 4.495 -12.603 10.128 1.00 . A A . 30 LYS NZ 1 1 14 5629 1 1 2 LYS O O 3.862 -6.048 6.407 1.00 . A A . 30 LYS O 1 1 14 5630 1 1 3 PRO C C 3.055 -7.185 3.555 1.00 . A A . 31 PRO C 1 1 14 5631 1 1 3 PRO CA C 4.519 -6.839 3.843 1.00 . A A . 31 PRO CA 1 1 14 5632 1 1 3 PRO CB C 5.433 -7.462 2.787 1.00 . A A . 31 PRO CB 1 1 14 5633 1 1 3 PRO CD C 5.916 -8.561 4.895 1.00 . A A . 31 PRO CD 1 1 14 5634 1 1 3 PRO CG C 5.903 -8.749 3.378 1.00 . A A . 31 PRO CG 1 1 14 5635 1 1 3 PRO HA H 4.655 -5.770 3.854 1.00 . A A . 31 PRO HA 1 1 14 5636 1 1 3 PRO HB2 H 4.880 -7.643 1.876 1.00 . A A . 31 PRO HB2 1 1 14 5637 1 1 3 PRO HB3 H 6.275 -6.816 2.593 1.00 . A A . 31 PRO HB3 1 1 14 5638 1 1 3 PRO HD2 H 5.557 -9.453 5.391 1.00 . A A . 31 PRO HD2 1 1 14 5639 1 1 3 PRO HD3 H 6.907 -8.308 5.237 1.00 . A A . 31 PRO HD3 1 1 14 5640 1 1 3 PRO HG2 H 5.225 -9.548 3.106 1.00 . A A . 31 PRO HG2 1 1 14 5641 1 1 3 PRO HG3 H 6.899 -8.974 3.032 1.00 . A A . 31 PRO HG3 1 1 14 5642 1 1 3 PRO N N 4.997 -7.434 5.124 1.00 . A A . 31 PRO N 1 1 14 5643 1 1 3 PRO O O 2.555 -8.209 3.978 1.00 . A A . 31 PRO O 1 1 14 5644 1 1 4 PHE C C 0.582 -6.011 1.168 1.00 . A A . 32 PHE C 1 1 14 5645 1 1 4 PHE CA C 0.936 -6.621 2.525 1.00 . A A . 32 PHE CA 1 1 14 5646 1 1 4 PHE CB C 0.046 -6.007 3.609 1.00 . A A . 32 PHE CB 1 1 14 5647 1 1 4 PHE CD1 C -0.982 -8.153 4.440 1.00 . A A . 32 PHE CD1 1 1 14 5648 1 1 4 PHE CD2 C -2.427 -6.468 3.463 1.00 . A A . 32 PHE CD2 1 1 14 5649 1 1 4 PHE CE1 C -2.091 -8.978 4.659 1.00 . A A . 32 PHE CE1 1 1 14 5650 1 1 4 PHE CE2 C -3.537 -7.294 3.680 1.00 . A A . 32 PHE CE2 1 1 14 5651 1 1 4 PHE CG C -1.150 -6.897 3.843 1.00 . A A . 32 PHE CG 1 1 14 5652 1 1 4 PHE CZ C -3.368 -8.549 4.278 1.00 . A A . 32 PHE CZ 1 1 14 5653 1 1 4 PHE H H 2.787 -5.520 2.508 1.00 . A A . 32 PHE H 1 1 14 5654 1 1 4 PHE HA H 0.777 -7.689 2.493 1.00 . A A . 32 PHE HA 1 1 14 5655 1 1 4 PHE HB2 H 0.610 -5.911 4.525 1.00 . A A . 32 PHE HB2 1 1 14 5656 1 1 4 PHE HB3 H -0.288 -5.032 3.288 1.00 . A A . 32 PHE HB3 1 1 14 5657 1 1 4 PHE HD1 H 0.003 -8.483 4.734 1.00 . A A . 32 PHE HD1 1 1 14 5658 1 1 4 PHE HD2 H -2.558 -5.500 3.002 1.00 . A A . 32 PHE HD2 1 1 14 5659 1 1 4 PHE HE1 H -1.962 -9.946 5.120 1.00 . A A . 32 PHE HE1 1 1 14 5660 1 1 4 PHE HE2 H -4.522 -6.964 3.386 1.00 . A A . 32 PHE HE2 1 1 14 5661 1 1 4 PHE HZ H -4.224 -9.186 4.446 1.00 . A A . 32 PHE HZ 1 1 14 5662 1 1 4 PHE N N 2.365 -6.340 2.839 1.00 . A A . 32 PHE N 1 1 14 5663 1 1 4 PHE O O 1.311 -5.200 0.632 1.00 . A A . 32 PHE O 1 1 14 5664 1 1 5 SER C C -2.234 -5.051 -0.566 1.00 . A A . 33 SER C 1 1 14 5665 1 1 5 SER CA C -0.931 -5.837 -0.717 1.00 . A A . 33 SER CA 1 1 14 5666 1 1 5 SER CB C -1.137 -6.979 -1.711 1.00 . A A . 33 SER CB 1 1 14 5667 1 1 5 SER H H -1.106 -7.051 1.055 1.00 . A A . 33 SER H 1 1 14 5668 1 1 5 SER HA H -0.155 -5.180 -1.080 1.00 . A A . 33 SER HA 1 1 14 5669 1 1 5 SER HB2 H -2.163 -7.308 -1.677 1.00 . A A . 33 SER HB2 1 1 14 5670 1 1 5 SER HB3 H -0.906 -6.633 -2.709 1.00 . A A . 33 SER HB3 1 1 14 5671 1 1 5 SER HG H -0.009 -7.943 -0.453 1.00 . A A . 33 SER HG 1 1 14 5672 1 1 5 SER N N -0.532 -6.395 0.607 1.00 . A A . 33 SER N 1 1 14 5673 1 1 5 SER O O -2.989 -5.253 0.364 1.00 . A A . 33 SER O 1 1 14 5674 1 1 5 SER OG O -0.287 -8.064 -1.363 1.00 . A A . 33 SER OG 1 1 14 5675 1 1 6 CYS C C -4.962 -4.267 -1.661 1.00 . A A . 34 CYS C 1 1 14 5676 1 1 6 CYS CA C -3.762 -3.359 -1.382 1.00 . A A . 34 CYS CA 1 1 14 5677 1 1 6 CYS CB C -3.728 -2.229 -2.413 1.00 . A A . 34 CYS CB 1 1 14 5678 1 1 6 CYS H H -1.884 -4.008 -2.219 1.00 . A A . 34 CYS H 1 1 14 5679 1 1 6 CYS HA H -3.850 -2.940 -0.391 1.00 . A A . 34 CYS HA 1 1 14 5680 1 1 6 CYS HB2 H -2.839 -1.633 -2.265 1.00 . A A . 34 CYS HB2 1 1 14 5681 1 1 6 CYS HB3 H -3.718 -2.649 -3.408 1.00 . A A . 34 CYS HB3 1 1 14 5682 1 1 6 CYS N N -2.506 -4.156 -1.475 1.00 . A A . 34 CYS N 1 1 14 5683 1 1 6 CYS O O -4.820 -5.458 -1.853 1.00 . A A . 34 CYS O 1 1 14 5684 1 1 6 CYS SG S -5.193 -1.186 -2.212 1.00 . A A . 34 CYS SG 1 1 14 5685 1 1 7 SER C C -7.574 -4.653 -3.459 1.00 . A A . 35 SER C 1 1 14 5686 1 1 7 SER CA C -7.350 -4.546 -1.949 1.00 . A A . 35 SER CA 1 1 14 5687 1 1 7 SER CB C -8.571 -3.897 -1.296 1.00 . A A . 35 SER CB 1 1 14 5688 1 1 7 SER H H -6.237 -2.751 -1.526 1.00 . A A . 35 SER H 1 1 14 5689 1 1 7 SER HA H -7.203 -5.533 -1.537 1.00 . A A . 35 SER HA 1 1 14 5690 1 1 7 SER HB2 H -8.820 -4.425 -0.391 1.00 . A A . 35 SER HB2 1 1 14 5691 1 1 7 SER HB3 H -8.344 -2.865 -1.058 1.00 . A A . 35 SER HB3 1 1 14 5692 1 1 7 SER HG H -10.084 -3.094 -2.218 1.00 . A A . 35 SER HG 1 1 14 5693 1 1 7 SER N N -6.143 -3.713 -1.684 1.00 . A A . 35 SER N 1 1 14 5694 1 1 7 SER O O -7.481 -5.719 -4.034 1.00 . A A . 35 SER O 1 1 14 5695 1 1 7 SER OG O -9.671 -3.960 -2.193 1.00 . A A . 35 SER OG 1 1 14 5696 1 1 8 LEU C C -7.003 -2.801 -6.289 1.00 . A A . 36 LEU C 1 1 14 5697 1 1 8 LEU CA C -8.095 -3.603 -5.579 1.00 . A A . 36 LEU CA 1 1 14 5698 1 1 8 LEU CB C -9.464 -2.998 -5.902 1.00 . A A . 36 LEU CB 1 1 14 5699 1 1 8 LEU CD1 C -9.603 -4.436 -7.940 1.00 . A A . 36 LEU CD1 1 1 14 5700 1 1 8 LEU CD2 C -11.055 -2.414 -7.736 1.00 . A A . 36 LEU CD2 1 1 14 5701 1 1 8 LEU CG C -9.679 -3.000 -7.416 1.00 . A A . 36 LEU CG 1 1 14 5702 1 1 8 LEU H H -7.937 -2.708 -3.624 1.00 . A A . 36 LEU H 1 1 14 5703 1 1 8 LEU HA H -8.067 -4.628 -5.916 1.00 . A A . 36 LEU HA 1 1 14 5704 1 1 8 LEU HB2 H -10.236 -3.584 -5.426 1.00 . A A . 36 LEU HB2 1 1 14 5705 1 1 8 LEU HB3 H -9.504 -1.984 -5.536 1.00 . A A . 36 LEU HB3 1 1 14 5706 1 1 8 LEU HD11 H -9.962 -5.116 -7.182 1.00 . A A . 36 LEU HD11 1 1 14 5707 1 1 8 LEU HD12 H -8.578 -4.677 -8.183 1.00 . A A . 36 LEU HD12 1 1 14 5708 1 1 8 LEU HD13 H -10.213 -4.528 -8.825 1.00 . A A . 36 LEU HD13 1 1 14 5709 1 1 8 LEU HD21 H -11.725 -2.596 -6.908 1.00 . A A . 36 LEU HD21 1 1 14 5710 1 1 8 LEU HD22 H -11.448 -2.883 -8.626 1.00 . A A . 36 LEU HD22 1 1 14 5711 1 1 8 LEU HD23 H -10.965 -1.351 -7.899 1.00 . A A . 36 LEU HD23 1 1 14 5712 1 1 8 LEU HG H -8.912 -2.404 -7.889 1.00 . A A . 36 LEU HG 1 1 14 5713 1 1 8 LEU N N -7.868 -3.558 -4.106 1.00 . A A . 36 LEU N 1 1 14 5714 1 1 8 LEU O O -7.126 -1.609 -6.491 1.00 . A A . 36 LEU O 1 1 14 5715 1 1 9 CYS C C -3.516 -3.486 -7.151 1.00 . A A . 37 CYS C 1 1 14 5716 1 1 9 CYS CA C -4.831 -2.731 -7.371 1.00 . A A . 37 CYS CA 1 1 14 5717 1 1 9 CYS CB C -4.696 -1.311 -6.815 1.00 . A A . 37 CYS CB 1 1 14 5718 1 1 9 CYS H H -5.859 -4.410 -6.498 1.00 . A A . 37 CYS H 1 1 14 5719 1 1 9 CYS HA H -5.047 -2.684 -8.428 1.00 . A A . 37 CYS HA 1 1 14 5720 1 1 9 CYS HB2 H -3.686 -0.960 -6.965 1.00 . A A . 37 CYS HB2 1 1 14 5721 1 1 9 CYS HB3 H -5.383 -0.655 -7.331 1.00 . A A . 37 CYS HB3 1 1 14 5722 1 1 9 CYS N N -5.935 -3.449 -6.672 1.00 . A A . 37 CYS N 1 1 14 5723 1 1 9 CYS O O -2.904 -3.385 -6.106 1.00 . A A . 37 CYS O 1 1 14 5724 1 1 9 CYS SG S -5.077 -1.310 -5.045 1.00 . A A . 37 CYS SG 1 1 14 5725 1 1 10 PRO C C -0.653 -4.191 -7.527 1.00 . A A . 38 PRO C 1 1 14 5726 1 1 10 PRO CA C -1.826 -5.029 -8.044 1.00 . A A . 38 PRO CA 1 1 14 5727 1 1 10 PRO CB C -1.575 -5.470 -9.487 1.00 . A A . 38 PRO CB 1 1 14 5728 1 1 10 PRO CD C -3.761 -4.422 -9.425 1.00 . A A . 38 PRO CD 1 1 14 5729 1 1 10 PRO CG C -2.919 -5.483 -10.136 1.00 . A A . 38 PRO CG 1 1 14 5730 1 1 10 PRO HA H -1.968 -5.897 -7.422 1.00 . A A . 38 PRO HA 1 1 14 5731 1 1 10 PRO HB2 H -0.923 -4.765 -9.984 1.00 . A A . 38 PRO HB2 1 1 14 5732 1 1 10 PRO HB3 H -1.145 -6.459 -9.508 1.00 . A A . 38 PRO HB3 1 1 14 5733 1 1 10 PRO HD2 H -3.760 -3.500 -9.990 1.00 . A A . 38 PRO HD2 1 1 14 5734 1 1 10 PRO HD3 H -4.770 -4.775 -9.275 1.00 . A A . 38 PRO HD3 1 1 14 5735 1 1 10 PRO HG2 H -2.824 -5.244 -11.186 1.00 . A A . 38 PRO HG2 1 1 14 5736 1 1 10 PRO HG3 H -3.379 -6.452 -10.015 1.00 . A A . 38 PRO HG3 1 1 14 5737 1 1 10 PRO N N -3.088 -4.240 -8.129 1.00 . A A . 38 PRO N 1 1 14 5738 1 1 10 PRO O O 0.244 -3.838 -8.266 1.00 . A A . 38 PRO O 1 1 14 5739 1 1 11 GLN C C 0.823 -3.587 -4.309 1.00 . A A . 39 GLN C 1 1 14 5740 1 1 11 GLN CA C 0.458 -3.056 -5.697 1.00 . A A . 39 GLN CA 1 1 14 5741 1 1 11 GLN CB C 0.016 -1.596 -5.585 1.00 . A A . 39 GLN CB 1 1 14 5742 1 1 11 GLN CD C 0.269 -1.036 -3.162 1.00 . A A . 39 GLN CD 1 1 14 5743 1 1 11 GLN CG C -0.730 -1.388 -4.266 1.00 . A A . 39 GLN CG 1 1 14 5744 1 1 11 GLN H H -1.389 -4.165 -5.683 1.00 . A A . 39 GLN H 1 1 14 5745 1 1 11 GLN HA H 1.318 -3.124 -6.346 1.00 . A A . 39 GLN HA 1 1 14 5746 1 1 11 GLN HB2 H 0.885 -0.954 -5.613 1.00 . A A . 39 GLN HB2 1 1 14 5747 1 1 11 GLN HB3 H -0.638 -1.353 -6.408 1.00 . A A . 39 GLN HB3 1 1 14 5748 1 1 11 GLN HE21 H 0.997 0.539 -4.128 1.00 . A A . 39 GLN HE21 1 1 14 5749 1 1 11 GLN HE22 H 1.696 0.231 -2.612 1.00 . A A . 39 GLN HE22 1 1 14 5750 1 1 11 GLN HG2 H -1.442 -0.583 -4.378 1.00 . A A . 39 GLN HG2 1 1 14 5751 1 1 11 GLN HG3 H -1.251 -2.296 -4.000 1.00 . A A . 39 GLN HG3 1 1 14 5752 1 1 11 GLN N N -0.655 -3.870 -6.262 1.00 . A A . 39 GLN N 1 1 14 5753 1 1 11 GLN NE2 N 1.053 -0.003 -3.313 1.00 . A A . 39 GLN NE2 1 1 14 5754 1 1 11 GLN O O -0.017 -4.077 -3.580 1.00 . A A . 39 GLN O 1 1 14 5755 1 1 11 GLN OE1 O 0.338 -1.707 -2.152 1.00 . A A . 39 GLN OE1 1 1 14 5756 1 1 12 ARG C C 3.114 -2.850 -1.796 1.00 . A A . 40 ARG C 1 1 14 5757 1 1 12 ARG CA C 2.487 -3.993 -2.597 1.00 . A A . 40 ARG CA 1 1 14 5758 1 1 12 ARG CB C 3.511 -5.119 -2.763 1.00 . A A . 40 ARG CB 1 1 14 5759 1 1 12 ARG CD C 1.924 -6.789 -3.731 1.00 . A A . 40 ARG CD 1 1 14 5760 1 1 12 ARG CG C 3.172 -5.947 -4.005 1.00 . A A . 40 ARG CG 1 1 14 5761 1 1 12 ARG CZ C 2.766 -8.922 -2.949 1.00 . A A . 40 ARG CZ 1 1 14 5762 1 1 12 ARG H H 2.733 -3.095 -4.539 1.00 . A A . 40 ARG H 1 1 14 5763 1 1 12 ARG HA H 1.622 -4.369 -2.069 1.00 . A A . 40 ARG HA 1 1 14 5764 1 1 12 ARG HB2 H 4.498 -4.692 -2.874 1.00 . A A . 40 ARG HB2 1 1 14 5765 1 1 12 ARG HB3 H 3.490 -5.755 -1.892 1.00 . A A . 40 ARG HB3 1 1 14 5766 1 1 12 ARG HD2 H 1.117 -6.145 -3.419 1.00 . A A . 40 ARG HD2 1 1 14 5767 1 1 12 ARG HD3 H 1.640 -7.314 -4.631 1.00 . A A . 40 ARG HD3 1 1 14 5768 1 1 12 ARG HE H 2.000 -7.563 -1.722 1.00 . A A . 40 ARG HE 1 1 14 5769 1 1 12 ARG HG2 H 2.986 -5.287 -4.840 1.00 . A A . 40 ARG HG2 1 1 14 5770 1 1 12 ARG HG3 H 3.999 -6.599 -4.239 1.00 . A A . 40 ARG HG3 1 1 14 5771 1 1 12 ARG HH11 H 2.860 -8.544 -4.914 1.00 . A A . 40 ARG HH11 1 1 14 5772 1 1 12 ARG HH12 H 3.476 -10.084 -4.417 1.00 . A A . 40 ARG HH12 1 1 14 5773 1 1 12 ARG HH21 H 2.799 -9.570 -1.055 1.00 . A A . 40 ARG HH21 1 1 14 5774 1 1 12 ARG HH22 H 3.442 -10.665 -2.232 1.00 . A A . 40 ARG HH22 1 1 14 5775 1 1 12 ARG N N 2.070 -3.494 -3.937 1.00 . A A . 40 ARG N 1 1 14 5776 1 1 12 ARG NE N 2.218 -7.776 -2.653 1.00 . A A . 40 ARG NE 1 1 14 5777 1 1 12 ARG NH1 N 3.056 -9.205 -4.190 1.00 . A A . 40 ARG NH1 1 1 14 5778 1 1 12 ARG NH2 N 3.023 -9.786 -2.005 1.00 . A A . 40 ARG NH2 1 1 14 5779 1 1 12 ARG O O 3.776 -1.989 -2.342 1.00 . A A . 40 ARG O 1 1 14 5780 1 1 13 SER C C 4.091 -2.348 1.603 1.00 . A A . 41 SER C 1 1 14 5781 1 1 13 SER CA C 3.498 -1.746 0.326 1.00 . A A . 41 SER CA 1 1 14 5782 1 1 13 SER CB C 2.406 -0.741 0.694 1.00 . A A . 41 SER CB 1 1 14 5783 1 1 13 SER H H 2.375 -3.538 -0.087 1.00 . A A . 41 SER H 1 1 14 5784 1 1 13 SER HA H 4.276 -1.247 -0.231 1.00 . A A . 41 SER HA 1 1 14 5785 1 1 13 SER HB2 H 2.604 -0.334 1.672 1.00 . A A . 41 SER HB2 1 1 14 5786 1 1 13 SER HB3 H 2.399 0.061 -0.032 1.00 . A A . 41 SER HB3 1 1 14 5787 1 1 13 SER HG H 1.156 -2.070 0.021 1.00 . A A . 41 SER HG 1 1 14 5788 1 1 13 SER N N 2.911 -2.834 -0.508 1.00 . A A . 41 SER N 1 1 14 5789 1 1 13 SER O O 3.527 -3.245 2.197 1.00 . A A . 41 SER O 1 1 14 5790 1 1 13 SER OG O 1.147 -1.399 0.707 1.00 . A A . 41 SER OG 1 1 14 5791 1 1 14 ARG C C 5.473 -1.533 4.461 1.00 . A A . 42 ARG C 1 1 14 5792 1 1 14 ARG CA C 5.852 -2.409 3.264 1.00 . A A . 42 ARG CA 1 1 14 5793 1 1 14 ARG CB C 7.374 -2.421 3.102 1.00 . A A . 42 ARG CB 1 1 14 5794 1 1 14 ARG CD C 9.372 -0.962 2.755 1.00 . A A . 42 ARG CD 1 1 14 5795 1 1 14 ARG CG C 7.910 -0.991 3.200 1.00 . A A . 42 ARG CG 1 1 14 5796 1 1 14 ARG CZ C 10.624 -0.258 0.804 1.00 . A A . 42 ARG CZ 1 1 14 5797 1 1 14 ARG H H 5.665 -1.140 1.533 1.00 . A A . 42 ARG H 1 1 14 5798 1 1 14 ARG HA H 5.500 -3.416 3.431 1.00 . A A . 42 ARG HA 1 1 14 5799 1 1 14 ARG HB2 H 7.814 -3.026 3.882 1.00 . A A . 42 ARG HB2 1 1 14 5800 1 1 14 ARG HB3 H 7.630 -2.834 2.138 1.00 . A A . 42 ARG HB3 1 1 14 5801 1 1 14 ARG HD2 H 9.943 -0.346 3.433 1.00 . A A . 42 ARG HD2 1 1 14 5802 1 1 14 ARG HD3 H 9.770 -1.967 2.759 1.00 . A A . 42 ARG HD3 1 1 14 5803 1 1 14 ARG HE H 8.645 -0.134 0.903 1.00 . A A . 42 ARG HE 1 1 14 5804 1 1 14 ARG HG2 H 7.324 -0.344 2.563 1.00 . A A . 42 ARG HG2 1 1 14 5805 1 1 14 ARG HG3 H 7.839 -0.650 4.222 1.00 . A A . 42 ARG HG3 1 1 14 5806 1 1 14 ARG HH11 H 11.651 -0.988 2.360 1.00 . A A . 42 ARG HH11 1 1 14 5807 1 1 14 ARG HH12 H 12.602 -0.502 0.997 1.00 . A A . 42 ARG HH12 1 1 14 5808 1 1 14 ARG HH21 H 9.869 0.506 -0.886 1.00 . A A . 42 ARG HH21 1 1 14 5809 1 1 14 ARG HH22 H 11.593 0.343 -0.843 1.00 . A A . 42 ARG HH22 1 1 14 5810 1 1 14 ARG N N 5.225 -1.863 2.028 1.00 . A A . 42 ARG N 1 1 14 5811 1 1 14 ARG NE N 9.460 -0.399 1.378 1.00 . A A . 42 ARG NE 1 1 14 5812 1 1 14 ARG NH1 N 11.710 -0.610 1.435 1.00 . A A . 42 ARG NH1 1 1 14 5813 1 1 14 ARG NH2 N 10.701 0.235 -0.402 1.00 . A A . 42 ARG NH2 1 1 14 5814 1 1 14 ARG O O 5.162 -2.023 5.528 1.00 . A A . 42 ARG O 1 1 14 5815 1 1 15 ASP C C 3.867 1.438 5.070 1.00 . A A . 43 ASP C 1 1 14 5816 1 1 15 ASP CA C 5.142 0.667 5.419 1.00 . A A . 43 ASP CA 1 1 14 5817 1 1 15 ASP CB C 6.285 1.656 5.660 1.00 . A A . 43 ASP CB 1 1 14 5818 1 1 15 ASP CG C 6.607 1.714 7.154 1.00 . A A . 43 ASP CG 1 1 14 5819 1 1 15 ASP H H 5.754 0.136 3.423 1.00 . A A . 43 ASP H 1 1 14 5820 1 1 15 ASP HA H 4.977 0.083 6.312 1.00 . A A . 43 ASP HA 1 1 14 5821 1 1 15 ASP HB2 H 7.160 1.332 5.115 1.00 . A A . 43 ASP HB2 1 1 14 5822 1 1 15 ASP HB3 H 5.991 2.637 5.318 1.00 . A A . 43 ASP HB3 1 1 14 5823 1 1 15 ASP N N 5.499 -0.239 4.291 1.00 . A A . 43 ASP N 1 1 14 5824 1 1 15 ASP O O 3.482 1.531 3.922 1.00 . A A . 43 ASP O 1 1 14 5825 1 1 15 ASP OD1 O 6.587 0.670 7.785 1.00 . A A . 43 ASP OD1 1 1 14 5826 1 1 15 ASP OD2 O 6.866 2.801 7.643 1.00 . A A . 43 ASP OD2 1 1 14 5827 1 1 16 PHE C C 2.306 3.999 4.947 1.00 . A A . 44 PHE C 1 1 14 5828 1 1 16 PHE CA C 1.963 2.758 5.774 1.00 . A A . 44 PHE CA 1 1 14 5829 1 1 16 PHE CB C 1.320 3.184 7.095 1.00 . A A . 44 PHE CB 1 1 14 5830 1 1 16 PHE CD1 C -1.036 2.884 6.251 1.00 . A A . 44 PHE CD1 1 1 14 5831 1 1 16 PHE CD2 C -0.389 5.035 7.167 1.00 . A A . 44 PHE CD2 1 1 14 5832 1 1 16 PHE CE1 C -2.324 3.376 6.007 1.00 . A A . 44 PHE CE1 1 1 14 5833 1 1 16 PHE CE2 C -1.677 5.527 6.922 1.00 . A A . 44 PHE CE2 1 1 14 5834 1 1 16 PHE CG C -0.069 3.714 6.831 1.00 . A A . 44 PHE CG 1 1 14 5835 1 1 16 PHE CZ C -2.645 4.697 6.343 1.00 . A A . 44 PHE CZ 1 1 14 5836 1 1 16 PHE H H 3.538 1.907 6.971 1.00 . A A . 44 PHE H 1 1 14 5837 1 1 16 PHE HA H 1.275 2.136 5.221 1.00 . A A . 44 PHE HA 1 1 14 5838 1 1 16 PHE HB2 H 1.260 2.333 7.758 1.00 . A A . 44 PHE HB2 1 1 14 5839 1 1 16 PHE HB3 H 1.918 3.957 7.554 1.00 . A A . 44 PHE HB3 1 1 14 5840 1 1 16 PHE HD1 H -0.788 1.866 5.992 1.00 . A A . 44 PHE HD1 1 1 14 5841 1 1 16 PHE HD2 H 0.357 5.674 7.614 1.00 . A A . 44 PHE HD2 1 1 14 5842 1 1 16 PHE HE1 H -3.070 2.736 5.559 1.00 . A A . 44 PHE HE1 1 1 14 5843 1 1 16 PHE HE2 H -1.924 6.545 7.182 1.00 . A A . 44 PHE HE2 1 1 14 5844 1 1 16 PHE HZ H -3.638 5.076 6.154 1.00 . A A . 44 PHE HZ 1 1 14 5845 1 1 16 PHE N N 3.210 1.992 6.052 1.00 . A A . 44 PHE N 1 1 14 5846 1 1 16 PHE O O 1.534 4.437 4.118 1.00 . A A . 44 PHE O 1 1 14 5847 1 1 17 SER C C 3.647 5.515 2.901 1.00 . A A . 45 SER C 1 1 14 5848 1 1 17 SER CA C 3.854 5.777 4.394 1.00 . A A . 45 SER CA 1 1 14 5849 1 1 17 SER CB C 5.327 6.092 4.657 1.00 . A A . 45 SER CB 1 1 14 5850 1 1 17 SER H H 4.068 4.197 5.841 1.00 . A A . 45 SER H 1 1 14 5851 1 1 17 SER HA H 3.245 6.616 4.700 1.00 . A A . 45 SER HA 1 1 14 5852 1 1 17 SER HB2 H 5.891 5.176 4.697 1.00 . A A . 45 SER HB2 1 1 14 5853 1 1 17 SER HB3 H 5.709 6.714 3.859 1.00 . A A . 45 SER HB3 1 1 14 5854 1 1 17 SER HG H 4.909 7.565 5.860 1.00 . A A . 45 SER HG 1 1 14 5855 1 1 17 SER N N 3.460 4.567 5.167 1.00 . A A . 45 SER N 1 1 14 5856 1 1 17 SER O O 3.023 6.290 2.204 1.00 . A A . 45 SER O 1 1 14 5857 1 1 17 SER OG O 5.447 6.770 5.902 1.00 . A A . 45 SER OG 1 1 14 5858 1 1 18 ALA C C 2.574 3.615 0.708 1.00 . A A . 46 ALA C 1 1 14 5859 1 1 18 ALA CA C 3.998 4.112 0.957 1.00 . A A . 46 ALA CA 1 1 14 5860 1 1 18 ALA CB C 4.997 3.025 0.553 1.00 . A A . 46 ALA CB 1 1 14 5861 1 1 18 ALA H H 4.666 3.812 2.984 1.00 . A A . 46 ALA H 1 1 14 5862 1 1 18 ALA HA H 4.178 5.002 0.371 1.00 . A A . 46 ALA HA 1 1 14 5863 1 1 18 ALA HB1 H 4.527 2.056 0.636 1.00 . A A . 46 ALA HB1 1 1 14 5864 1 1 18 ALA HB2 H 5.856 3.065 1.206 1.00 . A A . 46 ALA HB2 1 1 14 5865 1 1 18 ALA HB3 H 5.312 3.187 -0.467 1.00 . A A . 46 ALA HB3 1 1 14 5866 1 1 18 ALA N N 4.167 4.425 2.404 1.00 . A A . 46 ALA N 1 1 14 5867 1 1 18 ALA O O 2.032 3.770 -0.368 1.00 . A A . 46 ALA O 1 1 14 5868 1 1 19 MET C C -0.393 3.697 1.459 1.00 . A A . 47 MET C 1 1 14 5869 1 1 19 MET CA C 0.573 2.513 1.512 1.00 . A A . 47 MET CA 1 1 14 5870 1 1 19 MET CB C 0.202 1.605 2.686 1.00 . A A . 47 MET CB 1 1 14 5871 1 1 19 MET CE C -2.770 -1.120 3.110 1.00 . A A . 47 MET CE 1 1 14 5872 1 1 19 MET CG C -0.849 0.589 2.234 1.00 . A A . 47 MET CG 1 1 14 5873 1 1 19 MET H H 2.418 2.904 2.555 1.00 . A A . 47 MET H 1 1 14 5874 1 1 19 MET HA H 0.511 1.955 0.590 1.00 . A A . 47 MET HA 1 1 14 5875 1 1 19 MET HB2 H 1.084 1.083 3.030 1.00 . A A . 47 MET HB2 1 1 14 5876 1 1 19 MET HB3 H -0.200 2.201 3.491 1.00 . A A . 47 MET HB3 1 1 14 5877 1 1 19 MET HE1 H -3.419 -0.273 3.287 1.00 . A A . 47 MET HE1 1 1 14 5878 1 1 19 MET HE2 H -3.078 -1.953 3.727 1.00 . A A . 47 MET HE2 1 1 14 5879 1 1 19 MET HE3 H -2.829 -1.403 2.071 1.00 . A A . 47 MET HE3 1 1 14 5880 1 1 19 MET HG2 H -1.788 1.095 2.063 1.00 . A A . 47 MET HG2 1 1 14 5881 1 1 19 MET HG3 H -0.523 0.117 1.320 1.00 . A A . 47 MET HG3 1 1 14 5882 1 1 19 MET N N 1.963 3.018 1.695 1.00 . A A . 47 MET N 1 1 14 5883 1 1 19 MET O O -1.482 3.599 0.928 1.00 . A A . 47 MET O 1 1 14 5884 1 1 19 MET SD S -1.067 -0.668 3.519 1.00 . A A . 47 MET SD 1 1 14 5885 1 1 20 THR C C -0.875 6.644 0.595 1.00 . A A . 48 THR C 1 1 14 5886 1 1 20 THR CA C -0.904 6.006 1.983 1.00 . A A . 48 THR CA 1 1 14 5887 1 1 20 THR CB C -0.430 7.027 3.016 1.00 . A A . 48 THR CB 1 1 14 5888 1 1 20 THR CG2 C -1.056 6.711 4.376 1.00 . A A . 48 THR CG2 1 1 14 5889 1 1 20 THR H H 0.877 4.877 2.428 1.00 . A A . 48 THR H 1 1 14 5890 1 1 20 THR HA H -1.912 5.698 2.219 1.00 . A A . 48 THR HA 1 1 14 5891 1 1 20 THR HB H -0.734 8.014 2.706 1.00 . A A . 48 THR HB 1 1 14 5892 1 1 20 THR HG1 H 1.344 7.757 2.692 1.00 . A A . 48 THR HG1 1 1 14 5893 1 1 20 THR HG21 H -0.379 7.013 5.162 1.00 . A A . 48 THR HG21 1 1 14 5894 1 1 20 THR HG22 H -1.242 5.651 4.449 1.00 . A A . 48 THR HG22 1 1 14 5895 1 1 20 THR HG23 H -1.987 7.249 4.477 1.00 . A A . 48 THR HG23 1 1 14 5896 1 1 20 THR N N -0.005 4.817 2.004 1.00 . A A . 48 THR N 1 1 14 5897 1 1 20 THR O O -1.899 6.852 -0.023 1.00 . A A . 48 THR O 1 1 14 5898 1 1 20 THR OG1 O 0.987 6.974 3.119 1.00 . A A . 48 THR OG1 1 1 14 5899 1 1 21 LYS C C -0.414 6.706 -2.232 1.00 . A A . 49 LYS C 1 1 14 5900 1 1 21 LYS CA C 0.371 7.573 -1.257 1.00 . A A . 49 LYS CA 1 1 14 5901 1 1 21 LYS CB C 1.831 7.645 -1.706 1.00 . A A . 49 LYS CB 1 1 14 5902 1 1 21 LYS CD C 4.011 8.218 -0.624 1.00 . A A . 49 LYS CD 1 1 14 5903 1 1 21 LYS CE C 4.824 9.361 -0.011 1.00 . A A . 49 LYS CE 1 1 14 5904 1 1 21 LYS CG C 2.576 8.687 -0.869 1.00 . A A . 49 LYS CG 1 1 14 5905 1 1 21 LYS H H 1.108 6.774 0.603 1.00 . A A . 49 LYS H 1 1 14 5906 1 1 21 LYS HA H -0.051 8.566 -1.228 1.00 . A A . 49 LYS HA 1 1 14 5907 1 1 21 LYS HB2 H 2.295 6.677 -1.575 1.00 . A A . 49 LYS HB2 1 1 14 5908 1 1 21 LYS HB3 H 1.872 7.925 -2.748 1.00 . A A . 49 LYS HB3 1 1 14 5909 1 1 21 LYS HD2 H 4.003 7.377 0.054 1.00 . A A . 49 LYS HD2 1 1 14 5910 1 1 21 LYS HD3 H 4.458 7.923 -1.561 1.00 . A A . 49 LYS HD3 1 1 14 5911 1 1 21 LYS HE2 H 4.653 10.266 -0.575 1.00 . A A . 49 LYS HE2 1 1 14 5912 1 1 21 LYS HE3 H 4.517 9.512 1.012 1.00 . A A . 49 LYS HE3 1 1 14 5913 1 1 21 LYS HG2 H 2.588 9.629 -1.397 1.00 . A A . 49 LYS HG2 1 1 14 5914 1 1 21 LYS HG3 H 2.073 8.813 0.078 1.00 . A A . 49 LYS HG3 1 1 14 5915 1 1 21 LYS HZ1 H 6.529 8.495 0.812 1.00 . A A . 49 LYS HZ1 1 1 14 5916 1 1 21 LYS HZ2 H 6.836 9.889 -0.106 1.00 . A A . 49 LYS HZ2 1 1 14 5917 1 1 21 LYS HZ3 H 6.466 8.424 -0.885 1.00 . A A . 49 LYS HZ3 1 1 14 5918 1 1 21 LYS N N 0.291 6.954 0.095 1.00 . A A . 49 LYS N 1 1 14 5919 1 1 21 LYS NZ N 6.273 9.016 -0.051 1.00 . A A . 49 LYS NZ 1 1 14 5920 1 1 21 LYS O O -1.096 7.194 -3.111 1.00 . A A . 49 LYS O 1 1 14 5921 1 1 22 HIS C C -2.554 4.861 -2.954 1.00 . A A . 50 HIS C 1 1 14 5922 1 1 22 HIS CA C -1.066 4.501 -2.977 1.00 . A A . 50 HIS CA 1 1 14 5923 1 1 22 HIS CB C -0.879 3.060 -2.497 1.00 . A A . 50 HIS CB 1 1 14 5924 1 1 22 HIS CD2 C -2.569 1.048 -2.425 1.00 . A A . 50 HIS CD2 1 1 14 5925 1 1 22 HIS CE1 C -3.916 1.718 -3.981 1.00 . A A . 50 HIS CE1 1 1 14 5926 1 1 22 HIS CG C -2.078 2.243 -2.889 1.00 . A A . 50 HIS CG 1 1 14 5927 1 1 22 HIS H H 0.228 5.052 -1.352 1.00 . A A . 50 HIS H 1 1 14 5928 1 1 22 HIS HA H -0.686 4.599 -3.982 1.00 . A A . 50 HIS HA 1 1 14 5929 1 1 22 HIS HB2 H 0.007 2.642 -2.951 1.00 . A A . 50 HIS HB2 1 1 14 5930 1 1 22 HIS HB3 H -0.773 3.051 -1.423 1.00 . A A . 50 HIS HB3 1 1 14 5931 1 1 22 HIS HD1 H -2.883 3.468 -4.418 1.00 . A A . 50 HIS HD1 1 1 14 5932 1 1 22 HIS HD2 H -2.121 0.455 -1.641 1.00 . A A . 50 HIS HD2 1 1 14 5933 1 1 22 HIS HE1 H -4.744 1.777 -4.670 1.00 . A A . 50 HIS HE1 1 1 14 5934 1 1 22 HIS N N -0.326 5.417 -2.073 1.00 . A A . 50 HIS N 1 1 14 5935 1 1 22 HIS ND1 N -2.954 2.649 -3.883 1.00 . A A . 50 HIS ND1 1 1 14 5936 1 1 22 HIS NE2 N -3.730 0.719 -3.116 1.00 . A A . 50 HIS NE2 1 1 14 5937 1 1 22 HIS O O -3.203 4.916 -3.980 1.00 . A A . 50 HIS O 1 1 14 5938 1 1 23 LEU C C -4.732 6.892 -2.249 1.00 . A A . 51 LEU C 1 1 14 5939 1 1 23 LEU CA C -4.548 5.467 -1.729 1.00 . A A . 51 LEU CA 1 1 14 5940 1 1 23 LEU CB C -5.046 5.378 -0.285 1.00 . A A . 51 LEU CB 1 1 14 5941 1 1 23 LEU CD1 C -4.492 4.617 2.028 1.00 . A A . 51 LEU CD1 1 1 14 5942 1 1 23 LEU CD2 C -3.947 3.162 0.072 1.00 . A A . 51 LEU CD2 1 1 14 5943 1 1 23 LEU CG C -4.036 4.608 0.568 1.00 . A A . 51 LEU CG 1 1 14 5944 1 1 23 LEU H H -2.566 5.065 -0.974 1.00 . A A . 51 LEU H 1 1 14 5945 1 1 23 LEU HA H -5.113 4.784 -2.349 1.00 . A A . 51 LEU HA 1 1 14 5946 1 1 23 LEU HB2 H -5.169 6.373 0.114 1.00 . A A . 51 LEU HB2 1 1 14 5947 1 1 23 LEU HB3 H -5.996 4.862 -0.266 1.00 . A A . 51 LEU HB3 1 1 14 5948 1 1 23 LEU HD11 H -4.405 5.617 2.426 1.00 . A A . 51 LEU HD11 1 1 14 5949 1 1 23 LEU HD12 H -3.872 3.945 2.603 1.00 . A A . 51 LEU HD12 1 1 14 5950 1 1 23 LEU HD13 H -5.522 4.296 2.086 1.00 . A A . 51 LEU HD13 1 1 14 5951 1 1 23 LEU HD21 H -3.254 3.108 -0.755 1.00 . A A . 51 LEU HD21 1 1 14 5952 1 1 23 LEU HD22 H -4.923 2.833 -0.253 1.00 . A A . 51 LEU HD22 1 1 14 5953 1 1 23 LEU HD23 H -3.602 2.528 0.874 1.00 . A A . 51 LEU HD23 1 1 14 5954 1 1 23 LEU HG H -3.068 5.078 0.491 1.00 . A A . 51 LEU HG 1 1 14 5955 1 1 23 LEU N N -3.103 5.109 -1.795 1.00 . A A . 51 LEU N 1 1 14 5956 1 1 23 LEU O O -5.739 7.221 -2.843 1.00 . A A . 51 LEU O 1 1 14 5957 1 1 24 ARG C C -3.599 9.144 -4.040 1.00 . A A . 52 ARG C 1 1 14 5958 1 1 24 ARG CA C -3.874 9.136 -2.538 1.00 . A A . 52 ARG CA 1 1 14 5959 1 1 24 ARG CB C -2.848 10.017 -1.825 1.00 . A A . 52 ARG CB 1 1 14 5960 1 1 24 ARG CD C -4.434 11.903 -1.420 1.00 . A A . 52 ARG CD 1 1 14 5961 1 1 24 ARG CG C -3.549 10.850 -0.751 1.00 . A A . 52 ARG CG 1 1 14 5962 1 1 24 ARG CZ C -6.524 11.648 -0.222 1.00 . A A . 52 ARG CZ 1 1 14 5963 1 1 24 ARG H H -2.952 7.449 -1.569 1.00 . A A . 52 ARG H 1 1 14 5964 1 1 24 ARG HA H -4.870 9.509 -2.349 1.00 . A A . 52 ARG HA 1 1 14 5965 1 1 24 ARG HB2 H -2.095 9.393 -1.364 1.00 . A A . 52 ARG HB2 1 1 14 5966 1 1 24 ARG HB3 H -2.380 10.677 -2.541 1.00 . A A . 52 ARG HB3 1 1 14 5967 1 1 24 ARG HD2 H -4.308 12.850 -0.917 1.00 . A A . 52 ARG HD2 1 1 14 5968 1 1 24 ARG HD3 H -4.151 12.005 -2.458 1.00 . A A . 52 ARG HD3 1 1 14 5969 1 1 24 ARG HE H -6.301 11.077 -2.110 1.00 . A A . 52 ARG HE 1 1 14 5970 1 1 24 ARG HG2 H -4.159 10.202 -0.138 1.00 . A A . 52 ARG HG2 1 1 14 5971 1 1 24 ARG HG3 H -2.811 11.339 -0.137 1.00 . A A . 52 ARG HG3 1 1 14 5972 1 1 24 ARG HH11 H -4.981 12.470 0.753 1.00 . A A . 52 ARG HH11 1 1 14 5973 1 1 24 ARG HH12 H -6.446 12.315 1.664 1.00 . A A . 52 ARG HH12 1 1 14 5974 1 1 24 ARG HH21 H -8.222 10.868 -0.939 1.00 . A A . 52 ARG HH21 1 1 14 5975 1 1 24 ARG HH22 H -8.282 11.409 0.706 1.00 . A A . 52 ARG HH22 1 1 14 5976 1 1 24 ARG N N -3.760 7.737 -2.042 1.00 . A A . 52 ARG N 1 1 14 5977 1 1 24 ARG NE N -5.861 11.481 -1.333 1.00 . A A . 52 ARG NE 1 1 14 5978 1 1 24 ARG NH1 N -5.939 12.187 0.812 1.00 . A A . 52 ARG NH1 1 1 14 5979 1 1 24 ARG NH2 N -7.774 11.279 -0.146 1.00 . A A . 52 ARG NH2 1 1 14 5980 1 1 24 ARG O O -4.135 9.946 -4.780 1.00 . A A . 52 ARG O 1 1 14 5981 1 1 25 THR C C -3.524 7.357 -6.659 1.00 . A A . 53 THR C 1 1 14 5982 1 1 25 THR CA C -2.450 8.183 -5.947 1.00 . A A . 53 THR CA 1 1 14 5983 1 1 25 THR CB C -1.079 7.525 -6.138 1.00 . A A . 53 THR CB 1 1 14 5984 1 1 25 THR CG2 C -1.251 6.013 -6.294 1.00 . A A . 53 THR CG2 1 1 14 5985 1 1 25 THR H H -2.354 7.611 -3.875 1.00 . A A . 53 THR H 1 1 14 5986 1 1 25 THR HA H -2.432 9.182 -6.357 1.00 . A A . 53 THR HA 1 1 14 5987 1 1 25 THR HB H -0.459 7.726 -5.276 1.00 . A A . 53 THR HB 1 1 14 5988 1 1 25 THR HG1 H -0.656 7.467 -8.035 1.00 . A A . 53 THR HG1 1 1 14 5989 1 1 25 THR HG21 H -0.341 5.514 -5.995 1.00 . A A . 53 THR HG21 1 1 14 5990 1 1 25 THR HG22 H -1.467 5.779 -7.326 1.00 . A A . 53 THR HG22 1 1 14 5991 1 1 25 THR HG23 H -2.066 5.677 -5.671 1.00 . A A . 53 THR HG23 1 1 14 5992 1 1 25 THR N N -2.768 8.248 -4.494 1.00 . A A . 53 THR N 1 1 14 5993 1 1 25 THR O O -3.642 7.381 -7.868 1.00 . A A . 53 THR O 1 1 14 5994 1 1 25 THR OG1 O -0.461 8.055 -7.303 1.00 . A A . 53 THR OG1 1 1 14 5995 1 1 26 HIS C C -5.949 6.533 -7.755 1.00 . A A . 54 HIS C 1 1 14 5996 1 1 26 HIS CA C -5.378 5.797 -6.541 1.00 . A A . 54 HIS CA 1 1 14 5997 1 1 26 HIS CB C -6.495 5.553 -5.522 1.00 . A A . 54 HIS CB 1 1 14 5998 1 1 26 HIS CD2 C -6.823 3.334 -4.150 1.00 . A A . 54 HIS CD2 1 1 14 5999 1 1 26 HIS CE1 C -6.866 1.942 -5.810 1.00 . A A . 54 HIS CE1 1 1 14 6000 1 1 26 HIS CG C -6.664 4.075 -5.296 1.00 . A A . 54 HIS CG 1 1 14 6001 1 1 26 HIS H H -4.196 6.624 -4.941 1.00 . A A . 54 HIS H 1 1 14 6002 1 1 26 HIS HA H -4.963 4.851 -6.855 1.00 . A A . 54 HIS HA 1 1 14 6003 1 1 26 HIS HB2 H -6.239 6.032 -4.588 1.00 . A A . 54 HIS HB2 1 1 14 6004 1 1 26 HIS HB3 H -7.420 5.967 -5.894 1.00 . A A . 54 HIS HB3 1 1 14 6005 1 1 26 HIS HD1 H -6.601 3.377 -7.293 1.00 . A A . 54 HIS HD1 1 1 14 6006 1 1 26 HIS HD2 H -6.843 3.735 -3.148 1.00 . A A . 54 HIS HD2 1 1 14 6007 1 1 26 HIS HE1 H -6.928 1.033 -6.391 1.00 . A A . 54 HIS HE1 1 1 14 6008 1 1 26 HIS N N -4.309 6.626 -5.915 1.00 . A A . 54 HIS N 1 1 14 6009 1 1 26 HIS ND1 N -6.693 3.166 -6.341 1.00 . A A . 54 HIS ND1 1 1 14 6010 1 1 26 HIS NE2 N -6.951 1.988 -4.478 1.00 . A A . 54 HIS NE2 1 1 14 6011 1 1 26 HIS O O -6.902 7.279 -7.649 1.00 . A A . 54 HIS O 1 1 14 6012 1 1 27 GLY C C -6.293 5.979 -11.170 1.00 . A A . 55 GLY C 1 1 14 6013 1 1 27 GLY CA C -5.885 7.019 -10.127 1.00 . A A . 55 GLY CA 1 1 14 6014 1 1 27 GLY H H -4.607 5.724 -8.973 1.00 . A A . 55 GLY H 1 1 14 6015 1 1 27 GLY HA2 H -6.743 7.624 -9.864 1.00 . A A . 55 GLY HA2 1 1 14 6016 1 1 27 GLY HA3 H -5.111 7.649 -10.536 1.00 . A A . 55 GLY HA3 1 1 14 6017 1 1 27 GLY N N -5.374 6.331 -8.909 1.00 . A A . 55 GLY N 1 1 14 6018 1 1 27 GLY O O -7.450 5.590 -11.170 1.00 . A A . 55 GLY O 1 1 14 6019 1 1 27 GLY OXT O -5.443 5.586 -11.952 1.00 . A A . 55 GLY OXT 1 1 14 6020 2 2 1 ZN ZN ZN -5.683 0.549 -3.729 1.00 . B A . 84 ZN ZN 1 1 15 6021 1 1 1 GLU C C 5.478 -8.925 7.947 1.00 . A A . 29 GLU C 1 1 15 6022 1 1 1 GLU CA C 6.095 -8.242 9.169 1.00 . A A . 29 GLU CA 1 1 15 6023 1 1 1 GLU CB C 7.572 -8.627 9.281 1.00 . A A . 29 GLU CB 1 1 15 6024 1 1 1 GLU CD C 9.871 -7.758 9.742 1.00 . A A . 29 GLU CD 1 1 15 6025 1 1 1 GLU CG C 8.412 -7.366 9.501 1.00 . A A . 29 GLU CG 1 1 15 6026 1 1 1 GLU H1 H 6.022 -8.650 11.211 1.00 . A A . 29 GLU H1 1 1 15 6027 1 1 1 GLU H2 H 5.027 -9.653 10.267 1.00 . A A . 29 GLU H2 1 1 15 6028 1 1 1 GLU H3 H 4.571 -8.045 10.575 1.00 . A A . 29 GLU H3 1 1 15 6029 1 1 1 GLU HA H 6.008 -7.171 9.066 1.00 . A A . 29 GLU HA 1 1 15 6030 1 1 1 GLU HB2 H 7.707 -9.301 10.115 1.00 . A A . 29 GLU HB2 1 1 15 6031 1 1 1 GLU HB3 H 7.887 -9.112 8.370 1.00 . A A . 29 GLU HB3 1 1 15 6032 1 1 1 GLU HG2 H 8.348 -6.735 8.627 1.00 . A A . 29 GLU HG2 1 1 15 6033 1 1 1 GLU HG3 H 8.037 -6.830 10.360 1.00 . A A . 29 GLU HG3 1 1 15 6034 1 1 1 GLU N N 5.375 -8.680 10.398 1.00 . A A . 29 GLU N 1 1 15 6035 1 1 1 GLU O O 5.917 -8.733 6.830 1.00 . A A . 29 GLU O 1 1 15 6036 1 1 1 GLU OE1 O 10.225 -8.877 9.413 1.00 . A A . 29 GLU OE1 1 1 15 6037 1 1 1 GLU OE2 O 10.608 -6.931 10.255 1.00 . A A . 29 GLU OE2 1 1 15 6038 1 1 2 LYS C C 3.635 -9.421 5.846 1.00 . A A . 30 LYS C 1 1 15 6039 1 1 2 LYS CA C 3.818 -10.413 6.997 1.00 . A A . 30 LYS CA 1 1 15 6040 1 1 2 LYS CB C 2.452 -10.952 7.430 1.00 . A A . 30 LYS CB 1 1 15 6041 1 1 2 LYS CD C 0.145 -10.261 8.102 1.00 . A A . 30 LYS CD 1 1 15 6042 1 1 2 LYS CE C -0.784 -9.074 7.844 1.00 . A A . 30 LYS CE 1 1 15 6043 1 1 2 LYS CG C 1.602 -9.806 7.982 1.00 . A A . 30 LYS CG 1 1 15 6044 1 1 2 LYS H H 4.124 -9.861 9.058 1.00 . A A . 30 LYS H 1 1 15 6045 1 1 2 LYS HA H 4.443 -11.231 6.675 1.00 . A A . 30 LYS HA 1 1 15 6046 1 1 2 LYS HB2 H 1.954 -11.394 6.580 1.00 . A A . 30 LYS HB2 1 1 15 6047 1 1 2 LYS HB3 H 2.587 -11.700 8.197 1.00 . A A . 30 LYS HB3 1 1 15 6048 1 1 2 LYS HD2 H -0.051 -11.037 7.376 1.00 . A A . 30 LYS HD2 1 1 15 6049 1 1 2 LYS HD3 H -0.032 -10.644 9.095 1.00 . A A . 30 LYS HD3 1 1 15 6050 1 1 2 LYS HE2 H -1.805 -9.366 8.043 1.00 . A A . 30 LYS HE2 1 1 15 6051 1 1 2 LYS HE3 H -0.511 -8.254 8.493 1.00 . A A . 30 LYS HE3 1 1 15 6052 1 1 2 LYS HG2 H 1.971 -9.520 8.957 1.00 . A A . 30 LYS HG2 1 1 15 6053 1 1 2 LYS HG3 H 1.659 -8.960 7.313 1.00 . A A . 30 LYS HG3 1 1 15 6054 1 1 2 LYS HZ1 H -1.155 -9.323 5.810 1.00 . A A . 30 LYS HZ1 1 1 15 6055 1 1 2 LYS HZ2 H 0.344 -8.611 6.156 1.00 . A A . 30 LYS HZ2 1 1 15 6056 1 1 2 LYS HZ3 H -1.083 -7.700 6.307 1.00 . A A . 30 LYS HZ3 1 1 15 6057 1 1 2 LYS N N 4.463 -9.720 8.149 1.00 . A A . 30 LYS N 1 1 15 6058 1 1 2 LYS NZ N -0.660 -8.644 6.422 1.00 . A A . 30 LYS NZ 1 1 15 6059 1 1 2 LYS O O 3.516 -8.231 6.057 1.00 . A A . 30 LYS O 1 1 15 6060 1 1 3 PRO C C 2.351 -8.000 3.618 1.00 . A A . 31 PRO C 1 1 15 6061 1 1 3 PRO CA C 3.439 -9.062 3.425 1.00 . A A . 31 PRO CA 1 1 15 6062 1 1 3 PRO CB C 3.030 -10.058 2.342 1.00 . A A . 31 PRO CB 1 1 15 6063 1 1 3 PRO CD C 3.746 -11.336 4.287 1.00 . A A . 31 PRO CD 1 1 15 6064 1 1 3 PRO CG C 3.618 -11.366 2.760 1.00 . A A . 31 PRO CG 1 1 15 6065 1 1 3 PRO HA H 4.372 -8.598 3.156 1.00 . A A . 31 PRO HA 1 1 15 6066 1 1 3 PRO HB2 H 1.952 -10.129 2.286 1.00 . A A . 31 PRO HB2 1 1 15 6067 1 1 3 PRO HB3 H 3.436 -9.760 1.387 1.00 . A A . 31 PRO HB3 1 1 15 6068 1 1 3 PRO HD2 H 2.957 -11.917 4.741 1.00 . A A . 31 PRO HD2 1 1 15 6069 1 1 3 PRO HD3 H 4.713 -11.704 4.591 1.00 . A A . 31 PRO HD3 1 1 15 6070 1 1 3 PRO HG2 H 2.969 -12.175 2.455 1.00 . A A . 31 PRO HG2 1 1 15 6071 1 1 3 PRO HG3 H 4.595 -11.490 2.317 1.00 . A A . 31 PRO HG3 1 1 15 6072 1 1 3 PRO N N 3.611 -9.912 4.635 1.00 . A A . 31 PRO N 1 1 15 6073 1 1 3 PRO O O 1.452 -8.157 4.419 1.00 . A A . 31 PRO O 1 1 15 6074 1 1 4 PHE C C 0.886 -5.450 1.649 1.00 . A A . 32 PHE C 1 1 15 6075 1 1 4 PHE CA C 1.398 -5.852 3.033 1.00 . A A . 32 PHE CA 1 1 15 6076 1 1 4 PHE CB C 2.018 -4.635 3.721 1.00 . A A . 32 PHE CB 1 1 15 6077 1 1 4 PHE CD1 C 2.951 -5.645 5.834 1.00 . A A . 32 PHE CD1 1 1 15 6078 1 1 4 PHE CD2 C 0.999 -4.215 5.988 1.00 . A A . 32 PHE CD2 1 1 15 6079 1 1 4 PHE CE1 C 2.923 -5.833 7.221 1.00 . A A . 32 PHE CE1 1 1 15 6080 1 1 4 PHE CE2 C 0.971 -4.403 7.375 1.00 . A A . 32 PHE CE2 1 1 15 6081 1 1 4 PHE CG C 1.989 -4.836 5.218 1.00 . A A . 32 PHE CG 1 1 15 6082 1 1 4 PHE CZ C 1.933 -5.212 7.991 1.00 . A A . 32 PHE CZ 1 1 15 6083 1 1 4 PHE H H 3.160 -6.812 2.249 1.00 . A A . 32 PHE H 1 1 15 6084 1 1 4 PHE HA H 0.576 -6.222 3.628 1.00 . A A . 32 PHE HA 1 1 15 6085 1 1 4 PHE HB2 H 3.040 -4.517 3.393 1.00 . A A . 32 PHE HB2 1 1 15 6086 1 1 4 PHE HB3 H 1.453 -3.751 3.467 1.00 . A A . 32 PHE HB3 1 1 15 6087 1 1 4 PHE HD1 H 3.715 -6.124 5.239 1.00 . A A . 32 PHE HD1 1 1 15 6088 1 1 4 PHE HD2 H 0.257 -3.590 5.512 1.00 . A A . 32 PHE HD2 1 1 15 6089 1 1 4 PHE HE1 H 3.665 -6.457 7.697 1.00 . A A . 32 PHE HE1 1 1 15 6090 1 1 4 PHE HE2 H 0.207 -3.923 7.969 1.00 . A A . 32 PHE HE2 1 1 15 6091 1 1 4 PHE HZ H 1.910 -5.357 9.062 1.00 . A A . 32 PHE HZ 1 1 15 6092 1 1 4 PHE N N 2.428 -6.921 2.890 1.00 . A A . 32 PHE N 1 1 15 6093 1 1 4 PHE O O 1.334 -4.482 1.069 1.00 . A A . 32 PHE O 1 1 15 6094 1 1 5 SER C C -1.727 -4.838 -0.084 1.00 . A A . 33 SER C 1 1 15 6095 1 1 5 SER CA C -0.588 -5.848 -0.230 1.00 . A A . 33 SER CA 1 1 15 6096 1 1 5 SER CB C -1.115 -7.116 -0.904 1.00 . A A . 33 SER CB 1 1 15 6097 1 1 5 SER H H -0.397 -6.965 1.601 1.00 . A A . 33 SER H 1 1 15 6098 1 1 5 SER HA H 0.197 -5.419 -0.833 1.00 . A A . 33 SER HA 1 1 15 6099 1 1 5 SER HB2 H -1.984 -6.876 -1.493 1.00 . A A . 33 SER HB2 1 1 15 6100 1 1 5 SER HB3 H -0.347 -7.525 -1.547 1.00 . A A . 33 SER HB3 1 1 15 6101 1 1 5 SER HG H -0.749 -8.689 0.180 1.00 . A A . 33 SER HG 1 1 15 6102 1 1 5 SER N N -0.050 -6.188 1.116 1.00 . A A . 33 SER N 1 1 15 6103 1 1 5 SER O O -2.297 -4.680 0.977 1.00 . A A . 33 SER O 1 1 15 6104 1 1 5 SER OG O -1.472 -8.063 0.093 1.00 . A A . 33 SER OG 1 1 15 6105 1 1 6 CYS C C -4.507 -3.887 -0.957 1.00 . A A . 34 CYS C 1 1 15 6106 1 1 6 CYS CA C -3.168 -3.155 -1.060 1.00 . A A . 34 CYS CA 1 1 15 6107 1 1 6 CYS CB C -3.159 -2.280 -2.313 1.00 . A A . 34 CYS CB 1 1 15 6108 1 1 6 CYS H H -1.594 -4.294 -1.989 1.00 . A A . 34 CYS H 1 1 15 6109 1 1 6 CYS HA H -3.028 -2.535 -0.187 1.00 . A A . 34 CYS HA 1 1 15 6110 1 1 6 CYS HB2 H -2.259 -1.684 -2.331 1.00 . A A . 34 CYS HB2 1 1 15 6111 1 1 6 CYS HB3 H -3.192 -2.909 -3.191 1.00 . A A . 34 CYS HB3 1 1 15 6112 1 1 6 CYS N N -2.065 -4.153 -1.142 1.00 . A A . 34 CYS N 1 1 15 6113 1 1 6 CYS O O -4.565 -5.100 -0.954 1.00 . A A . 34 CYS O 1 1 15 6114 1 1 6 CYS SG S -4.605 -1.190 -2.296 1.00 . A A . 34 CYS SG 1 1 15 6115 1 1 7 SER C C -7.419 -4.202 -2.157 1.00 . A A . 35 SER C 1 1 15 6116 1 1 7 SER CA C -6.919 -3.813 -0.763 1.00 . A A . 35 SER CA 1 1 15 6117 1 1 7 SER CB C -7.912 -2.844 -0.120 1.00 . A A . 35 SER CB 1 1 15 6118 1 1 7 SER H H -5.519 -2.181 -0.871 1.00 . A A . 35 SER H 1 1 15 6119 1 1 7 SER HA H -6.836 -4.698 -0.152 1.00 . A A . 35 SER HA 1 1 15 6120 1 1 7 SER HB2 H -7.380 -2.009 0.304 1.00 . A A . 35 SER HB2 1 1 15 6121 1 1 7 SER HB3 H -8.600 -2.483 -0.874 1.00 . A A . 35 SER HB3 1 1 15 6122 1 1 7 SER HG H -8.073 -4.234 1.231 1.00 . A A . 35 SER HG 1 1 15 6123 1 1 7 SER N N -5.587 -3.159 -0.871 1.00 . A A . 35 SER N 1 1 15 6124 1 1 7 SER O O -7.945 -5.279 -2.358 1.00 . A A . 35 SER O 1 1 15 6125 1 1 7 SER OG O -8.624 -3.517 0.909 1.00 . A A . 35 SER OG 1 1 15 6126 1 1 8 LEU C C -6.698 -3.234 -5.532 1.00 . A A . 36 LEU C 1 1 15 6127 1 1 8 LEU CA C -7.740 -3.667 -4.497 1.00 . A A . 36 LEU CA 1 1 15 6128 1 1 8 LEU CB C -9.056 -2.935 -4.769 1.00 . A A . 36 LEU CB 1 1 15 6129 1 1 8 LEU CD1 C -11.388 -3.221 -5.614 1.00 . A A . 36 LEU CD1 1 1 15 6130 1 1 8 LEU CD2 C -9.458 -4.038 -6.974 1.00 . A A . 36 LEU CD2 1 1 15 6131 1 1 8 LEU CG C -9.996 -3.850 -5.553 1.00 . A A . 36 LEU CG 1 1 15 6132 1 1 8 LEU H H -6.842 -2.470 -2.945 1.00 . A A . 36 LEU H 1 1 15 6133 1 1 8 LEU HA H -7.902 -4.732 -4.573 1.00 . A A . 36 LEU HA 1 1 15 6134 1 1 8 LEU HB2 H -9.516 -2.660 -3.831 1.00 . A A . 36 LEU HB2 1 1 15 6135 1 1 8 LEU HB3 H -8.858 -2.045 -5.347 1.00 . A A . 36 LEU HB3 1 1 15 6136 1 1 8 LEU HD11 H -11.581 -2.871 -6.617 1.00 . A A . 36 LEU HD11 1 1 15 6137 1 1 8 LEU HD12 H -11.439 -2.390 -4.926 1.00 . A A . 36 LEU HD12 1 1 15 6138 1 1 8 LEU HD13 H -12.129 -3.958 -5.342 1.00 . A A . 36 LEU HD13 1 1 15 6139 1 1 8 LEU HD21 H -8.861 -3.181 -7.247 1.00 . A A . 36 LEU HD21 1 1 15 6140 1 1 8 LEU HD22 H -10.284 -4.136 -7.661 1.00 . A A . 36 LEU HD22 1 1 15 6141 1 1 8 LEU HD23 H -8.848 -4.928 -7.012 1.00 . A A . 36 LEU HD23 1 1 15 6142 1 1 8 LEU HG H -10.056 -4.809 -5.059 1.00 . A A . 36 LEU HG 1 1 15 6143 1 1 8 LEU N N -7.265 -3.335 -3.124 1.00 . A A . 36 LEU N 1 1 15 6144 1 1 8 LEU O O -6.712 -2.118 -6.008 1.00 . A A . 36 LEU O 1 1 15 6145 1 1 9 CYS C C -3.517 -4.625 -6.673 1.00 . A A . 37 CYS C 1 1 15 6146 1 1 9 CYS CA C -4.765 -3.768 -6.904 1.00 . A A . 37 CYS CA 1 1 15 6147 1 1 9 CYS CB C -4.391 -2.287 -6.786 1.00 . A A . 37 CYS CB 1 1 15 6148 1 1 9 CYS H H -5.820 -5.014 -5.498 1.00 . A A . 37 CYS H 1 1 15 6149 1 1 9 CYS HA H -5.155 -3.960 -7.892 1.00 . A A . 37 CYS HA 1 1 15 6150 1 1 9 CYS HB2 H -3.399 -2.135 -7.183 1.00 . A A . 37 CYS HB2 1 1 15 6151 1 1 9 CYS HB3 H -5.096 -1.692 -7.345 1.00 . A A . 37 CYS HB3 1 1 15 6152 1 1 9 CYS N N -5.804 -4.116 -5.890 1.00 . A A . 37 CYS N 1 1 15 6153 1 1 9 CYS O O -3.093 -4.826 -5.552 1.00 . A A . 37 CYS O 1 1 15 6154 1 1 9 CYS SG S -4.423 -1.786 -5.047 1.00 . A A . 37 CYS SG 1 1 15 6155 1 1 10 PRO C C -0.467 -5.168 -7.273 1.00 . A A . 38 PRO C 1 1 15 6156 1 1 10 PRO CA C -1.712 -5.976 -7.650 1.00 . A A . 38 PRO CA 1 1 15 6157 1 1 10 PRO CB C -1.568 -6.547 -9.063 1.00 . A A . 38 PRO CB 1 1 15 6158 1 1 10 PRO CD C -3.378 -4.932 -9.120 1.00 . A A . 38 PRO CD 1 1 15 6159 1 1 10 PRO CG C -2.272 -5.579 -9.956 1.00 . A A . 38 PRO CG 1 1 15 6160 1 1 10 PRO HA H -1.862 -6.783 -6.950 1.00 . A A . 38 PRO HA 1 1 15 6161 1 1 10 PRO HB2 H -0.523 -6.617 -9.332 1.00 . A A . 38 PRO HB2 1 1 15 6162 1 1 10 PRO HB3 H -2.038 -7.516 -9.126 1.00 . A A . 38 PRO HB3 1 1 15 6163 1 1 10 PRO HD2 H -3.460 -3.879 -9.352 1.00 . A A . 38 PRO HD2 1 1 15 6164 1 1 10 PRO HD3 H -4.319 -5.433 -9.283 1.00 . A A . 38 PRO HD3 1 1 15 6165 1 1 10 PRO HG2 H -1.577 -4.825 -10.303 1.00 . A A . 38 PRO HG2 1 1 15 6166 1 1 10 PRO HG3 H -2.709 -6.097 -10.794 1.00 . A A . 38 PRO HG3 1 1 15 6167 1 1 10 PRO N N -2.933 -5.125 -7.730 1.00 . A A . 38 PRO N 1 1 15 6168 1 1 10 PRO O O 0.405 -4.936 -8.087 1.00 . A A . 38 PRO O 1 1 15 6169 1 1 11 GLN C C 1.025 -4.130 -4.112 1.00 . A A . 39 GLN C 1 1 15 6170 1 1 11 GLN CA C 0.810 -3.948 -5.615 1.00 . A A . 39 GLN CA 1 1 15 6171 1 1 11 GLN CB C 0.572 -2.467 -5.920 1.00 . A A . 39 GLN CB 1 1 15 6172 1 1 11 GLN CD C -1.174 -0.695 -5.684 1.00 . A A . 39 GLN CD 1 1 15 6173 1 1 11 GLN CG C -0.566 -1.944 -5.042 1.00 . A A . 39 GLN CG 1 1 15 6174 1 1 11 GLN H H -1.090 -4.938 -5.402 1.00 . A A . 39 GLN H 1 1 15 6175 1 1 11 GLN HA H 1.684 -4.290 -6.149 1.00 . A A . 39 GLN HA 1 1 15 6176 1 1 11 GLN HB2 H 1.474 -1.909 -5.714 1.00 . A A . 39 GLN HB2 1 1 15 6177 1 1 11 GLN HB3 H 0.305 -2.351 -6.959 1.00 . A A . 39 GLN HB3 1 1 15 6178 1 1 11 GLN HE21 H -1.974 -0.045 -3.989 1.00 . A A . 39 GLN HE21 1 1 15 6179 1 1 11 GLN HE22 H -2.250 0.937 -5.346 1.00 . A A . 39 GLN HE22 1 1 15 6180 1 1 11 GLN HG2 H -1.326 -2.706 -4.945 1.00 . A A . 39 GLN HG2 1 1 15 6181 1 1 11 GLN HG3 H -0.181 -1.692 -4.066 1.00 . A A . 39 GLN HG3 1 1 15 6182 1 1 11 GLN N N -0.377 -4.739 -6.043 1.00 . A A . 39 GLN N 1 1 15 6183 1 1 11 GLN NE2 N -1.856 0.134 -4.945 1.00 . A A . 39 GLN NE2 1 1 15 6184 1 1 11 GLN O O 0.146 -4.570 -3.399 1.00 . A A . 39 GLN O 1 1 15 6185 1 1 11 GLN OE1 O -1.026 -0.473 -6.870 1.00 . A A . 39 GLN OE1 1 1 15 6186 1 1 12 ARG C C 3.270 -2.762 -1.661 1.00 . A A . 40 ARG C 1 1 15 6187 1 1 12 ARG CA C 2.452 -3.950 -2.166 1.00 . A A . 40 ARG CA 1 1 15 6188 1 1 12 ARG CB C 3.228 -5.245 -1.920 1.00 . A A . 40 ARG CB 1 1 15 6189 1 1 12 ARG CD C 5.003 -6.735 -2.854 1.00 . A A . 40 ARG CD 1 1 15 6190 1 1 12 ARG CG C 4.414 -5.323 -2.883 1.00 . A A . 40 ARG CG 1 1 15 6191 1 1 12 ARG CZ C 7.241 -7.638 -3.050 1.00 . A A . 40 ARG CZ 1 1 15 6192 1 1 12 ARG H H 2.886 -3.440 -4.214 1.00 . A A . 40 ARG H 1 1 15 6193 1 1 12 ARG HA H 1.514 -3.987 -1.636 1.00 . A A . 40 ARG HA 1 1 15 6194 1 1 12 ARG HB2 H 3.589 -5.260 -0.901 1.00 . A A . 40 ARG HB2 1 1 15 6195 1 1 12 ARG HB3 H 2.578 -6.091 -2.084 1.00 . A A . 40 ARG HB3 1 1 15 6196 1 1 12 ARG HD2 H 5.013 -7.099 -1.837 1.00 . A A . 40 ARG HD2 1 1 15 6197 1 1 12 ARG HD3 H 4.399 -7.389 -3.465 1.00 . A A . 40 ARG HD3 1 1 15 6198 1 1 12 ARG HE H 6.673 -5.983 -3.987 1.00 . A A . 40 ARG HE 1 1 15 6199 1 1 12 ARG HG2 H 4.081 -5.091 -3.883 1.00 . A A . 40 ARG HG2 1 1 15 6200 1 1 12 ARG HG3 H 5.171 -4.614 -2.581 1.00 . A A . 40 ARG HG3 1 1 15 6201 1 1 12 ARG HH11 H 5.935 -8.618 -1.891 1.00 . A A . 40 ARG HH11 1 1 15 6202 1 1 12 ARG HH12 H 7.518 -9.314 -1.989 1.00 . A A . 40 ARG HH12 1 1 15 6203 1 1 12 ARG HH21 H 8.745 -6.877 -4.129 1.00 . A A . 40 ARG HH21 1 1 15 6204 1 1 12 ARG HH22 H 9.109 -8.328 -3.256 1.00 . A A . 40 ARG HH22 1 1 15 6205 1 1 12 ARG N N 2.188 -3.794 -3.624 1.00 . A A . 40 ARG N 1 1 15 6206 1 1 12 ARG NE N 6.394 -6.704 -3.385 1.00 . A A . 40 ARG NE 1 1 15 6207 1 1 12 ARG NH1 N 6.869 -8.598 -2.248 1.00 . A A . 40 ARG NH1 1 1 15 6208 1 1 12 ARG NH2 N 8.460 -7.612 -3.515 1.00 . A A . 40 ARG NH2 1 1 15 6209 1 1 12 ARG O O 4.091 -2.212 -2.369 1.00 . A A . 40 ARG O 1 1 15 6210 1 1 13 SER C C 4.492 -1.624 1.423 1.00 . A A . 41 SER C 1 1 15 6211 1 1 13 SER CA C 3.815 -1.207 0.115 1.00 . A A . 41 SER CA 1 1 15 6212 1 1 13 SER CB C 2.859 -0.044 0.384 1.00 . A A . 41 SER CB 1 1 15 6213 1 1 13 SER H H 2.383 -2.818 0.115 1.00 . A A . 41 SER H 1 1 15 6214 1 1 13 SER HA H 4.567 -0.899 -0.596 1.00 . A A . 41 SER HA 1 1 15 6215 1 1 13 SER HB2 H 2.581 -0.037 1.425 1.00 . A A . 41 SER HB2 1 1 15 6216 1 1 13 SER HB3 H 3.352 0.888 0.140 1.00 . A A . 41 SER HB3 1 1 15 6217 1 1 13 SER HG H 1.934 -0.047 -1.328 1.00 . A A . 41 SER HG 1 1 15 6218 1 1 13 SER N N 3.051 -2.361 -0.439 1.00 . A A . 41 SER N 1 1 15 6219 1 1 13 SER O O 4.095 -2.579 2.062 1.00 . A A . 41 SER O 1 1 15 6220 1 1 13 SER OG O 1.692 -0.201 -0.412 1.00 . A A . 41 SER OG 1 1 15 6221 1 1 14 ARG C C 5.562 -0.530 4.263 1.00 . A A . 42 ARG C 1 1 15 6222 1 1 14 ARG CA C 6.211 -1.272 3.093 1.00 . A A . 42 ARG CA 1 1 15 6223 1 1 14 ARG CB C 7.685 -0.872 2.991 1.00 . A A . 42 ARG CB 1 1 15 6224 1 1 14 ARG CD C 9.921 -1.578 2.123 1.00 . A A . 42 ARG CD 1 1 15 6225 1 1 14 ARG CG C 8.492 -2.039 2.418 1.00 . A A . 42 ARG CG 1 1 15 6226 1 1 14 ARG CZ C 10.267 0.762 1.574 1.00 . A A . 42 ARG CZ 1 1 15 6227 1 1 14 ARG H H 5.815 -0.150 1.298 1.00 . A A . 42 ARG H 1 1 15 6228 1 1 14 ARG HA H 6.138 -2.337 3.257 1.00 . A A . 42 ARG HA 1 1 15 6229 1 1 14 ARG HB2 H 7.780 -0.014 2.341 1.00 . A A . 42 ARG HB2 1 1 15 6230 1 1 14 ARG HB3 H 8.061 -0.625 3.972 1.00 . A A . 42 ARG HB3 1 1 15 6231 1 1 14 ARG HD2 H 10.399 -1.278 3.043 1.00 . A A . 42 ARG HD2 1 1 15 6232 1 1 14 ARG HD3 H 10.477 -2.389 1.678 1.00 . A A . 42 ARG HD3 1 1 15 6233 1 1 14 ARG HE H 9.577 -0.555 0.258 1.00 . A A . 42 ARG HE 1 1 15 6234 1 1 14 ARG HG2 H 8.515 -2.847 3.134 1.00 . A A . 42 ARG HG2 1 1 15 6235 1 1 14 ARG HG3 H 8.031 -2.382 1.503 1.00 . A A . 42 ARG HG3 1 1 15 6236 1 1 14 ARG HH11 H 10.706 0.180 3.439 1.00 . A A . 42 ARG HH11 1 1 15 6237 1 1 14 ARG HH12 H 10.970 1.856 3.096 1.00 . A A . 42 ARG HH12 1 1 15 6238 1 1 14 ARG HH21 H 9.918 1.627 -0.197 1.00 . A A . 42 ARG HH21 1 1 15 6239 1 1 14 ARG HH22 H 10.525 2.675 1.041 1.00 . A A . 42 ARG HH22 1 1 15 6240 1 1 14 ARG N N 5.510 -0.915 1.827 1.00 . A A . 42 ARG N 1 1 15 6241 1 1 14 ARG NE N 9.886 -0.424 1.179 1.00 . A A . 42 ARG NE 1 1 15 6242 1 1 14 ARG NH1 N 10.680 0.947 2.798 1.00 . A A . 42 ARG NH1 1 1 15 6243 1 1 14 ARG NH2 N 10.234 1.766 0.741 1.00 . A A . 42 ARG NH2 1 1 15 6244 1 1 14 ARG O O 4.868 -1.111 5.072 1.00 . A A . 42 ARG O 1 1 15 6245 1 1 15 ASP C C 3.834 2.108 5.032 1.00 . A A . 43 ASP C 1 1 15 6246 1 1 15 ASP CA C 5.181 1.533 5.476 1.00 . A A . 43 ASP CA 1 1 15 6247 1 1 15 ASP CB C 6.119 2.678 5.861 1.00 . A A . 43 ASP CB 1 1 15 6248 1 1 15 ASP CG C 5.631 3.325 7.158 1.00 . A A . 43 ASP CG 1 1 15 6249 1 1 15 ASP H H 6.346 1.203 3.694 1.00 . A A . 43 ASP H 1 1 15 6250 1 1 15 ASP HA H 5.033 0.887 6.328 1.00 . A A . 43 ASP HA 1 1 15 6251 1 1 15 ASP HB2 H 7.118 2.292 6.003 1.00 . A A . 43 ASP HB2 1 1 15 6252 1 1 15 ASP HB3 H 6.127 3.417 5.073 1.00 . A A . 43 ASP HB3 1 1 15 6253 1 1 15 ASP N N 5.783 0.754 4.358 1.00 . A A . 43 ASP N 1 1 15 6254 1 1 15 ASP O O 3.601 2.334 3.861 1.00 . A A . 43 ASP O 1 1 15 6255 1 1 15 ASP OD1 O 4.709 4.121 7.089 1.00 . A A . 43 ASP OD1 1 1 15 6256 1 1 15 ASP OD2 O 6.186 3.012 8.198 1.00 . A A . 43 ASP OD2 1 1 15 6257 1 1 16 PHE C C 1.814 4.246 4.867 1.00 . A A . 44 PHE C 1 1 15 6258 1 1 16 PHE CA C 1.616 2.909 5.583 1.00 . A A . 44 PHE CA 1 1 15 6259 1 1 16 PHE CB C 0.776 3.124 6.844 1.00 . A A . 44 PHE CB 1 1 15 6260 1 1 16 PHE CD1 C -1.243 1.932 5.919 1.00 . A A . 44 PHE CD1 1 1 15 6261 1 1 16 PHE CD2 C -1.494 4.211 6.710 1.00 . A A . 44 PHE CD2 1 1 15 6262 1 1 16 PHE CE1 C -2.602 1.899 5.583 1.00 . A A . 44 PHE CE1 1 1 15 6263 1 1 16 PHE CE2 C -2.853 4.178 6.374 1.00 . A A . 44 PHE CE2 1 1 15 6264 1 1 16 PHE CG C -0.689 3.088 6.483 1.00 . A A . 44 PHE CG 1 1 15 6265 1 1 16 PHE CZ C -3.407 3.021 5.810 1.00 . A A . 44 PHE CZ 1 1 15 6266 1 1 16 PHE H H 3.152 2.161 6.896 1.00 . A A . 44 PHE H 1 1 15 6267 1 1 16 PHE HA H 1.108 2.220 4.925 1.00 . A A . 44 PHE HA 1 1 15 6268 1 1 16 PHE HB2 H 0.992 2.342 7.557 1.00 . A A . 44 PHE HB2 1 1 15 6269 1 1 16 PHE HB3 H 1.016 4.083 7.278 1.00 . A A . 44 PHE HB3 1 1 15 6270 1 1 16 PHE HD1 H -0.622 1.066 5.743 1.00 . A A . 44 PHE HD1 1 1 15 6271 1 1 16 PHE HD2 H -1.067 5.102 7.144 1.00 . A A . 44 PHE HD2 1 1 15 6272 1 1 16 PHE HE1 H -3.029 1.007 5.148 1.00 . A A . 44 PHE HE1 1 1 15 6273 1 1 16 PHE HE2 H -3.474 5.043 6.549 1.00 . A A . 44 PHE HE2 1 1 15 6274 1 1 16 PHE HZ H -4.454 2.996 5.551 1.00 . A A . 44 PHE HZ 1 1 15 6275 1 1 16 PHE N N 2.945 2.348 5.956 1.00 . A A . 44 PHE N 1 1 15 6276 1 1 16 PHE O O 1.087 4.585 3.954 1.00 . A A . 44 PHE O 1 1 15 6277 1 1 17 SER C C 3.064 6.116 3.090 1.00 . A A . 45 SER C 1 1 15 6278 1 1 17 SER CA C 3.036 6.320 4.605 1.00 . A A . 45 SER CA 1 1 15 6279 1 1 17 SER CB C 4.377 6.890 5.069 1.00 . A A . 45 SER CB 1 1 15 6280 1 1 17 SER H H 3.372 4.718 6.006 1.00 . A A . 45 SER H 1 1 15 6281 1 1 17 SER HA H 2.243 7.007 4.862 1.00 . A A . 45 SER HA 1 1 15 6282 1 1 17 SER HB2 H 4.270 7.940 5.280 1.00 . A A . 45 SER HB2 1 1 15 6283 1 1 17 SER HB3 H 4.694 6.376 5.966 1.00 . A A . 45 SER HB3 1 1 15 6284 1 1 17 SER HG H 6.120 7.226 4.273 1.00 . A A . 45 SER HG 1 1 15 6285 1 1 17 SER N N 2.795 5.009 5.270 1.00 . A A . 45 SER N 1 1 15 6286 1 1 17 SER O O 2.470 6.865 2.341 1.00 . A A . 45 SER O 1 1 15 6287 1 1 17 SER OG O 5.342 6.715 4.040 1.00 . A A . 45 SER OG 1 1 15 6288 1 1 18 ALA C C 2.506 4.167 0.728 1.00 . A A . 46 ALA C 1 1 15 6289 1 1 18 ALA CA C 3.805 4.840 1.170 1.00 . A A . 46 ALA CA 1 1 15 6290 1 1 18 ALA CB C 4.988 3.919 0.863 1.00 . A A . 46 ALA CB 1 1 15 6291 1 1 18 ALA H H 4.212 4.504 3.257 1.00 . A A . 46 ALA H 1 1 15 6292 1 1 18 ALA HA H 3.927 5.774 0.641 1.00 . A A . 46 ALA HA 1 1 15 6293 1 1 18 ALA HB1 H 5.892 4.505 0.787 1.00 . A A . 46 ALA HB1 1 1 15 6294 1 1 18 ALA HB2 H 4.812 3.405 -0.070 1.00 . A A . 46 ALA HB2 1 1 15 6295 1 1 18 ALA HB3 H 5.095 3.194 1.658 1.00 . A A . 46 ALA HB3 1 1 15 6296 1 1 18 ALA N N 3.745 5.100 2.635 1.00 . A A . 46 ALA N 1 1 15 6297 1 1 18 ALA O O 2.029 4.373 -0.371 1.00 . A A . 46 ALA O 1 1 15 6298 1 1 19 MET C C -0.480 3.708 1.192 1.00 . A A . 47 MET C 1 1 15 6299 1 1 19 MET CA C 0.654 2.683 1.215 1.00 . A A . 47 MET CA 1 1 15 6300 1 1 19 MET CB C 0.342 1.599 2.250 1.00 . A A . 47 MET CB 1 1 15 6301 1 1 19 MET CE C -1.360 -1.953 2.415 1.00 . A A . 47 MET CE 1 1 15 6302 1 1 19 MET CG C -0.411 0.449 1.576 1.00 . A A . 47 MET CG 1 1 15 6303 1 1 19 MET H H 2.326 3.217 2.462 1.00 . A A . 47 MET H 1 1 15 6304 1 1 19 MET HA H 0.754 2.231 0.239 1.00 . A A . 47 MET HA 1 1 15 6305 1 1 19 MET HB2 H 1.266 1.228 2.671 1.00 . A A . 47 MET HB2 1 1 15 6306 1 1 19 MET HB3 H -0.270 2.016 3.035 1.00 . A A . 47 MET HB3 1 1 15 6307 1 1 19 MET HE1 H -1.278 -2.130 1.351 1.00 . A A . 47 MET HE1 1 1 15 6308 1 1 19 MET HE2 H -2.179 -2.533 2.819 1.00 . A A . 47 MET HE2 1 1 15 6309 1 1 19 MET HE3 H -0.442 -2.245 2.898 1.00 . A A . 47 MET HE3 1 1 15 6310 1 1 19 MET HG2 H -0.887 0.810 0.678 1.00 . A A . 47 MET HG2 1 1 15 6311 1 1 19 MET HG3 H 0.285 -0.338 1.326 1.00 . A A . 47 MET HG3 1 1 15 6312 1 1 19 MET N N 1.926 3.366 1.580 1.00 . A A . 47 MET N 1 1 15 6313 1 1 19 MET O O -1.449 3.561 0.474 1.00 . A A . 47 MET O 1 1 15 6314 1 1 19 MET SD S -1.667 -0.194 2.710 1.00 . A A . 47 MET SD 1 1 15 6315 1 1 20 THR C C -1.410 6.561 0.674 1.00 . A A . 48 THR C 1 1 15 6316 1 1 20 THR CA C -1.435 5.784 1.990 1.00 . A A . 48 THR CA 1 1 15 6317 1 1 20 THR CB C -1.197 6.749 3.151 1.00 . A A . 48 THR CB 1 1 15 6318 1 1 20 THR CG2 C -1.689 6.116 4.454 1.00 . A A . 48 THR CG2 1 1 15 6319 1 1 20 THR H H 0.425 4.850 2.541 1.00 . A A . 48 THR H 1 1 15 6320 1 1 20 THR HA H -2.396 5.307 2.110 1.00 . A A . 48 THR HA 1 1 15 6321 1 1 20 THR HB H -1.740 7.663 2.972 1.00 . A A . 48 THR HB 1 1 15 6322 1 1 20 THR HG1 H 0.298 7.794 3.827 1.00 . A A . 48 THR HG1 1 1 15 6323 1 1 20 THR HG21 H -1.930 5.078 4.281 1.00 . A A . 48 THR HG21 1 1 15 6324 1 1 20 THR HG22 H -2.570 6.638 4.798 1.00 . A A . 48 THR HG22 1 1 15 6325 1 1 20 THR HG23 H -0.914 6.186 5.204 1.00 . A A . 48 THR HG23 1 1 15 6326 1 1 20 THR N N -0.365 4.749 1.971 1.00 . A A . 48 THR N 1 1 15 6327 1 1 20 THR O O -2.413 6.691 0.000 1.00 . A A . 48 THR O 1 1 15 6328 1 1 20 THR OG1 O 0.192 7.032 3.253 1.00 . A A . 48 THR OG1 1 1 15 6329 1 1 21 LYS C C -0.785 6.962 -2.087 1.00 . A A . 49 LYS C 1 1 15 6330 1 1 21 LYS CA C -0.190 7.827 -0.985 1.00 . A A . 49 LYS CA 1 1 15 6331 1 1 21 LYS CB C 1.272 8.127 -1.316 1.00 . A A . 49 LYS CB 1 1 15 6332 1 1 21 LYS CD C 1.502 10.494 -0.543 1.00 . A A . 49 LYS CD 1 1 15 6333 1 1 21 LYS CE C 2.497 11.073 -1.550 1.00 . A A . 49 LYS CE 1 1 15 6334 1 1 21 LYS CG C 1.867 9.038 -0.242 1.00 . A A . 49 LYS CG 1 1 15 6335 1 1 21 LYS H H 0.530 6.949 0.844 1.00 . A A . 49 LYS H 1 1 15 6336 1 1 21 LYS HA H -0.745 8.749 -0.903 1.00 . A A . 49 LYS HA 1 1 15 6337 1 1 21 LYS HB2 H 1.828 7.201 -1.355 1.00 . A A . 49 LYS HB2 1 1 15 6338 1 1 21 LYS HB3 H 1.328 8.619 -2.276 1.00 . A A . 49 LYS HB3 1 1 15 6339 1 1 21 LYS HD2 H 0.504 10.537 -0.954 1.00 . A A . 49 LYS HD2 1 1 15 6340 1 1 21 LYS HD3 H 1.540 11.071 0.369 1.00 . A A . 49 LYS HD3 1 1 15 6341 1 1 21 LYS HE2 H 3.503 10.932 -1.185 1.00 . A A . 49 LYS HE2 1 1 15 6342 1 1 21 LYS HE3 H 2.383 10.569 -2.498 1.00 . A A . 49 LYS HE3 1 1 15 6343 1 1 21 LYS HG2 H 1.470 8.760 0.724 1.00 . A A . 49 LYS HG2 1 1 15 6344 1 1 21 LYS HG3 H 2.941 8.934 -0.234 1.00 . A A . 49 LYS HG3 1 1 15 6345 1 1 21 LYS HZ1 H 2.974 13.078 -1.248 1.00 . A A . 49 LYS HZ1 1 1 15 6346 1 1 21 LYS HZ2 H 1.307 12.767 -1.316 1.00 . A A . 49 LYS HZ2 1 1 15 6347 1 1 21 LYS HZ3 H 2.231 12.760 -2.743 1.00 . A A . 49 LYS HZ3 1 1 15 6348 1 1 21 LYS N N -0.270 7.071 0.295 1.00 . A A . 49 LYS N 1 1 15 6349 1 1 21 LYS NZ N 2.232 12.530 -1.728 1.00 . A A . 49 LYS NZ 1 1 15 6350 1 1 21 LYS O O -1.479 7.435 -2.966 1.00 . A A . 49 LYS O 1 1 15 6351 1 1 22 HIS C C -2.577 4.982 -3.173 1.00 . A A . 50 HIS C 1 1 15 6352 1 1 22 HIS CA C -1.066 4.771 -3.066 1.00 . A A . 50 HIS CA 1 1 15 6353 1 1 22 HIS CB C -0.773 3.325 -2.657 1.00 . A A . 50 HIS CB 1 1 15 6354 1 1 22 HIS CD2 C -2.352 1.223 -2.628 1.00 . A A . 50 HIS CD2 1 1 15 6355 1 1 22 HIS CE1 C -3.673 1.803 -4.244 1.00 . A A . 50 HIS CE1 1 1 15 6356 1 1 22 HIS CG C -1.910 2.438 -3.088 1.00 . A A . 50 HIS CG 1 1 15 6357 1 1 22 HIS H H 0.040 5.336 -1.314 1.00 . A A . 50 HIS H 1 1 15 6358 1 1 22 HIS HA H -0.602 4.979 -4.019 1.00 . A A . 50 HIS HA 1 1 15 6359 1 1 22 HIS HB2 H 0.140 2.996 -3.128 1.00 . A A . 50 HIS HB2 1 1 15 6360 1 1 22 HIS HB3 H -0.664 3.272 -1.584 1.00 . A A . 50 HIS HB3 1 1 15 6361 1 1 22 HIS HD1 H -2.720 3.603 -4.661 1.00 . A A . 50 HIS HD1 1 1 15 6362 1 1 22 HIS HD2 H -1.902 0.662 -1.824 1.00 . A A . 50 HIS HD2 1 1 15 6363 1 1 22 HIS HE1 H -4.477 1.810 -4.964 1.00 . A A . 50 HIS HE1 1 1 15 6364 1 1 22 HIS N N -0.519 5.689 -2.036 1.00 . A A . 50 HIS N 1 1 15 6365 1 1 22 HIS ND1 N -2.767 2.787 -4.120 1.00 . A A . 50 HIS ND1 1 1 15 6366 1 1 22 HIS NE2 N -3.466 0.824 -3.360 1.00 . A A . 50 HIS NE2 1 1 15 6367 1 1 22 HIS O O -3.127 5.059 -4.254 1.00 . A A . 50 HIS O 1 1 15 6368 1 1 23 LEU C C -5.019 6.607 -2.827 1.00 . A A . 51 LEU C 1 1 15 6369 1 1 23 LEU CA C -4.730 5.287 -2.114 1.00 . A A . 51 LEU CA 1 1 15 6370 1 1 23 LEU CB C -5.297 5.331 -0.694 1.00 . A A . 51 LEU CB 1 1 15 6371 1 1 23 LEU CD1 C -5.108 4.383 1.610 1.00 . A A . 51 LEU CD1 1 1 15 6372 1 1 23 LEU CD2 C -4.476 2.996 -0.368 1.00 . A A . 51 LEU CD2 1 1 15 6373 1 1 23 LEU CG C -4.482 4.411 0.215 1.00 . A A . 51 LEU CG 1 1 15 6374 1 1 23 LEU H H -2.797 5.018 -1.195 1.00 . A A . 51 LEU H 1 1 15 6375 1 1 23 LEU HA H -5.188 4.475 -2.662 1.00 . A A . 51 LEU HA 1 1 15 6376 1 1 23 LEU HB2 H -5.250 6.343 -0.320 1.00 . A A . 51 LEU HB2 1 1 15 6377 1 1 23 LEU HB3 H -6.325 5.001 -0.709 1.00 . A A . 51 LEU HB3 1 1 15 6378 1 1 23 LEU HD11 H -4.612 5.105 2.242 1.00 . A A . 51 LEU HD11 1 1 15 6379 1 1 23 LEU HD12 H -4.995 3.397 2.036 1.00 . A A . 51 LEU HD12 1 1 15 6380 1 1 23 LEU HD13 H -6.157 4.627 1.540 1.00 . A A . 51 LEU HD13 1 1 15 6381 1 1 23 LEU HD21 H -4.079 3.022 -1.373 1.00 . A A . 51 LEU HD21 1 1 15 6382 1 1 23 LEU HD22 H -5.485 2.612 -0.391 1.00 . A A . 51 LEU HD22 1 1 15 6383 1 1 23 LEU HD23 H -3.860 2.356 0.246 1.00 . A A . 51 LEU HD23 1 1 15 6384 1 1 23 LEU HG H -3.468 4.778 0.283 1.00 . A A . 51 LEU HG 1 1 15 6385 1 1 23 LEU N N -3.256 5.079 -2.061 1.00 . A A . 51 LEU N 1 1 15 6386 1 1 23 LEU O O -5.869 6.685 -3.690 1.00 . A A . 51 LEU O 1 1 15 6387 1 1 24 ARG C C -4.007 8.853 -4.591 1.00 . A A . 52 ARG C 1 1 15 6388 1 1 24 ARG CA C -4.533 8.952 -3.159 1.00 . A A . 52 ARG CA 1 1 15 6389 1 1 24 ARG CB C -3.781 10.057 -2.412 1.00 . A A . 52 ARG CB 1 1 15 6390 1 1 24 ARG CD C -3.666 11.373 -0.291 1.00 . A A . 52 ARG CD 1 1 15 6391 1 1 24 ARG CG C -4.387 10.236 -1.018 1.00 . A A . 52 ARG CG 1 1 15 6392 1 1 24 ARG CZ C -2.814 13.525 -1.006 1.00 . A A . 52 ARG CZ 1 1 15 6393 1 1 24 ARG H H -3.616 7.562 -1.793 1.00 . A A . 52 ARG H 1 1 15 6394 1 1 24 ARG HA H -5.590 9.176 -3.174 1.00 . A A . 52 ARG HA 1 1 15 6395 1 1 24 ARG HB2 H -2.739 9.783 -2.320 1.00 . A A . 52 ARG HB2 1 1 15 6396 1 1 24 ARG HB3 H -3.863 10.983 -2.960 1.00 . A A . 52 ARG HB3 1 1 15 6397 1 1 24 ARG HD2 H -4.137 11.544 0.666 1.00 . A A . 52 ARG HD2 1 1 15 6398 1 1 24 ARG HD3 H -2.630 11.105 -0.140 1.00 . A A . 52 ARG HD3 1 1 15 6399 1 1 24 ARG HE H -4.491 12.747 -1.731 1.00 . A A . 52 ARG HE 1 1 15 6400 1 1 24 ARG HG2 H -5.437 10.474 -1.111 1.00 . A A . 52 ARG HG2 1 1 15 6401 1 1 24 ARG HG3 H -4.273 9.322 -0.455 1.00 . A A . 52 ARG HG3 1 1 15 6402 1 1 24 ARG HH11 H -1.765 12.515 0.367 1.00 . A A . 52 ARG HH11 1 1 15 6403 1 1 24 ARG HH12 H -1.106 14.046 -0.101 1.00 . A A . 52 ARG HH12 1 1 15 6404 1 1 24 ARG HH21 H -3.645 14.749 -2.355 1.00 . A A . 52 ARG HH21 1 1 15 6405 1 1 24 ARG HH22 H -2.169 15.311 -1.643 1.00 . A A . 52 ARG HH22 1 1 15 6406 1 1 24 ARG N N -4.307 7.646 -2.484 1.00 . A A . 52 ARG N 1 1 15 6407 1 1 24 ARG NE N -3.742 12.615 -1.112 1.00 . A A . 52 ARG NE 1 1 15 6408 1 1 24 ARG NH1 N -1.817 13.348 -0.183 1.00 . A A . 52 ARG NH1 1 1 15 6409 1 1 24 ARG NH2 N -2.881 14.613 -1.724 1.00 . A A . 52 ARG NH2 1 1 15 6410 1 1 24 ARG O O -4.372 9.623 -5.456 1.00 . A A . 52 ARG O 1 1 15 6411 1 1 25 THR C C -3.350 6.596 -6.918 1.00 . A A . 53 THR C 1 1 15 6412 1 1 25 THR CA C -2.597 7.726 -6.209 1.00 . A A . 53 THR CA 1 1 15 6413 1 1 25 THR CB C -1.105 7.380 -6.110 1.00 . A A . 53 THR CB 1 1 15 6414 1 1 25 THR CG2 C -0.890 5.901 -6.446 1.00 . A A . 53 THR CG2 1 1 15 6415 1 1 25 THR H H -2.880 7.288 -4.124 1.00 . A A . 53 THR H 1 1 15 6416 1 1 25 THR HA H -2.718 8.644 -6.766 1.00 . A A . 53 THR HA 1 1 15 6417 1 1 25 THR HB H -0.755 7.570 -5.105 1.00 . A A . 53 THR HB 1 1 15 6418 1 1 25 THR HG1 H -0.452 7.786 -7.896 1.00 . A A . 53 THR HG1 1 1 15 6419 1 1 25 THR HG21 H -1.598 5.300 -5.895 1.00 . A A . 53 THR HG21 1 1 15 6420 1 1 25 THR HG22 H 0.115 5.613 -6.175 1.00 . A A . 53 THR HG22 1 1 15 6421 1 1 25 THR HG23 H -1.035 5.748 -7.505 1.00 . A A . 53 THR HG23 1 1 15 6422 1 1 25 THR N N -3.154 7.898 -4.840 1.00 . A A . 53 THR N 1 1 15 6423 1 1 25 THR O O -3.132 6.325 -8.083 1.00 . A A . 53 THR O 1 1 15 6424 1 1 25 THR OG1 O -0.374 8.183 -7.025 1.00 . A A . 53 THR OG1 1 1 15 6425 1 1 26 HIS C C -5.203 5.097 -8.331 1.00 . A A . 54 HIS C 1 1 15 6426 1 1 26 HIS CA C -5.003 4.816 -6.840 1.00 . A A . 54 HIS CA 1 1 15 6427 1 1 26 HIS CB C -6.369 4.697 -6.157 1.00 . A A . 54 HIS CB 1 1 15 6428 1 1 26 HIS CD2 C -6.798 2.841 -4.344 1.00 . A A . 54 HIS CD2 1 1 15 6429 1 1 26 HIS CE1 C -6.684 1.106 -5.637 1.00 . A A . 54 HIS CE1 1 1 15 6430 1 1 26 HIS CG C -6.547 3.306 -5.612 1.00 . A A . 54 HIS CG 1 1 15 6431 1 1 26 HIS H H -4.390 6.169 -5.280 1.00 . A A . 54 HIS H 1 1 15 6432 1 1 26 HIS HA H -4.459 3.891 -6.718 1.00 . A A . 54 HIS HA 1 1 15 6433 1 1 26 HIS HB2 H -6.429 5.410 -5.348 1.00 . A A . 54 HIS HB2 1 1 15 6434 1 1 26 HIS HB3 H -7.149 4.904 -6.875 1.00 . A A . 54 HIS HB3 1 1 15 6435 1 1 26 HIS HD1 H -6.304 2.173 -7.383 1.00 . A A . 54 HIS HD1 1 1 15 6436 1 1 26 HIS HD2 H -6.913 3.459 -3.465 1.00 . A A . 54 HIS HD2 1 1 15 6437 1 1 26 HIS HE1 H -6.690 0.087 -5.997 1.00 . A A . 54 HIS HE1 1 1 15 6438 1 1 26 HIS N N -4.233 5.933 -6.218 1.00 . A A . 54 HIS N 1 1 15 6439 1 1 26 HIS ND1 N -6.477 2.182 -6.419 1.00 . A A . 54 HIS ND1 1 1 15 6440 1 1 26 HIS NE2 N -6.885 1.452 -4.364 1.00 . A A . 54 HIS NE2 1 1 15 6441 1 1 26 HIS O O -4.910 4.272 -9.173 1.00 . A A . 54 HIS O 1 1 15 6442 1 1 27 GLY C C -5.413 8.005 -10.380 1.00 . A A . 55 GLY C 1 1 15 6443 1 1 27 GLY CA C -5.917 6.589 -10.100 1.00 . A A . 55 GLY CA 1 1 15 6444 1 1 27 GLY H H -5.929 6.909 -7.970 1.00 . A A . 55 GLY H 1 1 15 6445 1 1 27 GLY HA2 H -5.378 5.884 -10.718 1.00 . A A . 55 GLY HA2 1 1 15 6446 1 1 27 GLY HA3 H -6.970 6.534 -10.327 1.00 . A A . 55 GLY HA3 1 1 15 6447 1 1 27 GLY N N -5.700 6.257 -8.664 1.00 . A A . 55 GLY N 1 1 15 6448 1 1 27 GLY O O -5.445 8.408 -11.531 1.00 . A A . 55 GLY O 1 1 15 6449 1 1 27 GLY OXT O -5.004 8.664 -9.437 1.00 . A A . 55 GLY OXT 1 1 15 6450 2 2 1 ZN ZN ZN -5.283 0.185 -4.081 1.00 . B A . 84 ZN ZN 1 1 stop_ save_
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