NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
601387 | 2n63 | 25749 | cing | 4-filtered-FRED | STAR | entry | full | 141 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2n63 # This FRED archive file contains, for PDB entry <2n63>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396. save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.PDB_coordinate_file_version . _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_2n63 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2n63 _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all free" _Assembly.Molecular_mass 1832.27 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 $antimicrobial_peptide_C4VG16KRKP A . 1 1 stop_ save_ save_antimicrobial_peptide_C4VG16KRKP _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "antimicrobial peptide C4VG16KRKP" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code XVARGWKRKCPLFGKGG _Entity.Number_of_monomers 17 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 PTL $PTL 1 1 2 VAL . 1 1 3 ALA . 1 1 4 ARG . 1 1 5 GLY . 1 1 6 TRP . 1 1 7 LYS . 1 1 8 ARG . 1 1 9 LYS . 1 1 10 CYS . 1 1 11 PRO . 1 1 12 LEU . 1 1 13 PHE . 1 1 14 GLY . 1 1 15 LYS . 1 1 16 GLY . 1 1 17 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 PTL 1 1 1 1 VAL 2 2 1 1 ALA 3 3 1 1 ARG 4 4 1 1 GLY 5 5 1 1 TRP 6 6 1 1 LYS 7 7 1 1 ARG 8 8 1 1 LYS 9 9 1 1 CYS 10 10 1 1 PRO 11 11 1 1 LEU 12 12 1 1 PHE 13 13 1 1 GLY 14 14 1 1 LYS 15 15 1 1 GLY 16 16 1 1 GLY 17 17 1 1 stop_ save_ save_PTL _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID PTL _Chem_comp.Type non-polymer save_ save_DYANA/DIANA_distance_constraints_4_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 2 VAL HA . 2 VAL HA 1 1 1 1 2 1 1 3 ALA H . 3 ALA H 1 1 2 1 1 1 1 2 VAL HA . 2 VAL HA 1 1 2 1 2 1 1 4 ARG H . 4 ARG H 1 1 3 1 1 1 1 2 VAL HB . 2 VAL HB 1 1 3 1 2 1 1 3 ALA H . 3 ALA H 1 1 4 1 1 1 1 2 VAL QG . 2 VAL QQG 1 1 4 1 2 1 1 3 ALA H . 3 ALA H 1 1 5 1 1 1 1 2 VAL QG . 2 VAL QQG 1 1 5 1 2 1 1 4 ARG H . 4 ARG H 1 1 6 1 1 1 1 2 VAL QG . 2 VAL QQG 1 1 6 1 2 1 1 6 TRP HD1 . 6 TRP HD1 1 1 7 1 1 1 1 2 VAL QG . 2 VAL QQG 1 1 7 1 2 1 1 6 TRP HE3 . 6 TRP HE3 1 1 8 1 1 1 1 3 ALA H . 3 ALA H 1 1 8 1 2 1 1 3 ALA MB . 3 ALA QB 1 1 9 1 1 1 1 3 ALA H . 3 ALA H 1 1 9 1 2 1 1 4 ARG H . 4 ARG H 1 1 10 1 1 1 1 3 ALA H . 3 ALA H 1 1 10 1 2 1 1 17 GLY QA . 17 GLY QA 1 1 11 1 1 1 1 3 ALA HA . 3 ALA HA 1 1 11 1 2 1 1 4 ARG H . 4 ARG H 1 1 12 1 1 1 1 3 ALA HA . 3 ALA HA 1 1 12 1 2 1 1 6 TRP HD1 . 6 TRP HD1 1 1 13 1 1 1 1 3 ALA MB . 3 ALA QB 1 1 13 1 2 1 1 4 ARG H . 4 ARG H 1 1 14 1 1 1 1 4 ARG H . 4 ARG H 1 1 14 1 2 1 1 4 ARG QB . 4 ARG QB 1 1 15 1 1 1 1 4 ARG H . 4 ARG H 1 1 15 1 2 1 1 4 ARG QD . 4 ARG QD 1 1 16 1 1 1 1 4 ARG H . 4 ARG H 1 1 16 1 2 1 1 4 ARG QG . 4 ARG QG 1 1 17 1 1 1 1 4 ARG H . 4 ARG H 1 1 17 1 2 1 1 5 GLY H . 5 GLY H 1 1 18 1 1 1 1 4 ARG HA . 4 ARG HA 1 1 18 1 2 1 1 5 GLY H . 5 GLY H 1 1 19 1 1 1 1 4 ARG QB . 4 ARG QB 1 1 19 1 2 1 1 5 GLY H . 5 GLY H 1 1 20 1 1 1 1 4 ARG QD . 4 ARG QD 1 1 20 1 2 1 1 5 GLY H . 5 GLY H 1 1 21 1 1 1 1 4 ARG QG . 4 ARG QG 1 1 21 1 2 1 1 5 GLY H . 5 GLY H 1 1 22 1 1 1 1 5 GLY H . 5 GLY H 1 1 22 1 2 1 1 6 TRP H . 6 TRP H 1 1 23 1 1 1 1 5 GLY QA . 5 GLY QA 1 1 23 1 2 1 1 6 TRP H . 6 TRP H 1 1 24 1 1 1 1 6 TRP H . 6 TRP H 1 1 24 1 2 1 1 6 TRP HB2 . 6 TRP HB2 1 1 25 1 1 1 1 6 TRP H . 6 TRP H 1 1 25 1 2 1 1 6 TRP HB3 . 6 TRP HB3 1 1 26 1 1 1 1 6 TRP H . 6 TRP H 1 1 26 1 2 1 1 7 LYS H . 7 LYS H 1 1 27 1 1 1 1 6 TRP HA . 6 TRP HA 1 1 27 1 2 1 1 6 TRP HD1 . 6 TRP HD1 1 1 28 1 1 1 1 6 TRP HA . 6 TRP HA 1 1 28 1 2 1 1 6 TRP HE3 . 6 TRP HE3 1 1 29 1 1 1 1 6 TRP HA . 6 TRP HA 1 1 29 1 2 1 1 7 LYS H . 7 LYS H 1 1 30 1 1 1 1 6 TRP HA . 6 TRP HA 1 1 30 1 2 1 1 13 PHE QE . 13 PHE QE 1 1 31 1 1 1 1 6 TRP QB . 6 TRP QB 1 1 31 1 2 1 1 6 TRP HE3 . 6 TRP HE3 1 1 32 1 1 1 1 6 TRP QB . 6 TRP QB 1 1 32 1 2 1 1 6 TRP HZ3 . 6 TRP HZ3 1 1 33 1 1 1 1 6 TRP QB . 6 TRP QB 1 1 33 1 2 1 1 7 LYS H . 7 LYS H 1 1 34 1 1 1 1 6 TRP QB . 6 TRP QB 1 1 34 1 2 1 1 13 PHE H . 13 PHE H 1 1 35 1 1 1 1 6 TRP QB . 6 TRP QB 1 1 35 1 2 1 1 13 PHE QD . 13 PHE QD 1 1 36 1 1 1 1 6 TRP HD1 . 6 TRP HD1 1 1 36 1 2 1 1 7 LYS QB . 7 LYS QB 1 1 37 1 1 1 1 6 TRP HD1 . 6 TRP HD1 1 1 37 1 2 1 1 7 LYS QG . 7 LYS QG 1 1 38 1 1 1 1 6 TRP HD1 . 6 TRP HD1 1 1 38 1 2 1 1 12 LEU QB . 12 LEU QB 1 1 39 1 1 1 1 6 TRP HD1 . 6 TRP HD1 1 1 39 1 2 1 1 12 LEU QD . 12 LEU QQD 1 1 40 1 1 1 1 6 TRP HD1 . 6 TRP HD1 1 1 40 1 2 1 1 12 LEU HG . 12 LEU QG 1 1 41 1 1 1 1 6 TRP HD1 . 6 TRP HD1 1 1 41 1 2 1 1 13 PHE HA . 13 PHE HA 1 1 42 1 1 1 1 6 TRP HD1 . 6 TRP HD1 1 1 42 1 2 1 1 13 PHE QB . 13 PHE QB 1 1 43 1 1 1 1 6 TRP HD1 . 6 TRP HD1 1 1 43 1 2 1 1 13 PHE QD . 13 PHE QD 1 1 44 1 1 1 1 6 TRP HD1 . 6 TRP HD1 1 1 44 1 2 1 1 15 LYS QD . 15 LYS QD 1 1 45 1 1 1 1 6 TRP HE3 . 6 TRP HE3 1 1 45 1 2 1 1 7 LYS HA . 7 LYS HA 1 1 46 1 1 1 1 6 TRP HE3 . 6 TRP HE3 1 1 46 1 2 1 1 7 LYS QD . 7 LYS QD 1 1 47 1 1 1 1 6 TRP HZ2 . 6 TRP HZ2 1 1 47 1 2 1 1 7 LYS QD . 7 LYS QD 1 1 48 1 1 1 1 6 TRP HZ2 . 6 TRP HZ2 1 1 48 1 2 1 1 13 PHE HA . 13 PHE HA 1 1 49 1 1 1 1 6 TRP HZ3 . 6 TRP HZ3 1 1 49 1 2 1 1 7 LYS QD . 7 LYS QD 1 1 50 1 1 1 1 7 LYS H . 7 LYS H 1 1 50 1 2 1 1 7 LYS QB . 7 LYS QB 1 1 51 1 1 1 1 7 LYS H . 7 LYS H 1 1 51 1 2 1 1 7 LYS QD . 7 LYS QD 1 1 52 1 1 1 1 7 LYS H . 7 LYS H 1 1 52 1 2 1 1 7 LYS QG . 7 LYS QG 1 1 53 1 1 1 1 7 LYS H . 7 LYS H 1 1 53 1 2 1 1 8 ARG H . 8 ARG H 1 1 54 1 1 1 1 7 LYS HA . 7 LYS HA 1 1 54 1 2 1 1 8 ARG H . 8 ARG H 1 1 55 1 1 1 1 7 LYS QB . 7 LYS QB 1 1 55 1 2 1 1 8 ARG H . 8 ARG H 1 1 56 1 1 1 1 7 LYS QD . 7 LYS QD 1 1 56 1 2 1 1 8 ARG H . 8 ARG H 1 1 57 1 1 1 1 7 LYS QG . 7 LYS QG 1 1 57 1 2 1 1 8 ARG H . 8 ARG H 1 1 58 1 1 1 1 8 ARG H . 8 ARG H 1 1 58 1 2 1 1 8 ARG QB . 8 ARG QB 1 1 59 1 1 1 1 8 ARG H . 8 ARG H 1 1 59 1 2 1 1 8 ARG QD . 8 ARG QD 1 1 60 1 1 1 1 8 ARG H . 8 ARG H 1 1 60 1 2 1 1 8 ARG QG . 8 ARG QG 1 1 61 1 1 1 1 8 ARG H . 8 ARG H 1 1 61 1 2 1 1 9 LYS H . 9 LYS H 1 1 62 1 1 1 1 8 ARG HA . 8 ARG HA 1 1 62 1 2 1 1 9 LYS H . 9 LYS H 1 1 63 1 1 1 1 8 ARG QB . 8 ARG QB 1 1 63 1 2 1 1 9 LYS H . 9 LYS H 1 1 64 1 1 1 1 8 ARG QD . 8 ARG QD 1 1 64 1 2 1 1 9 LYS H . 9 LYS H 1 1 65 1 1 1 1 8 ARG QG . 8 ARG QG 1 1 65 1 2 1 1 9 LYS H . 9 LYS H 1 1 66 1 1 1 1 9 LYS H . 9 LYS H 1 1 66 1 2 1 1 9 LYS QB . 9 LYS QB 1 1 67 1 1 1 1 9 LYS H . 9 LYS H 1 1 67 1 2 1 1 9 LYS QD . 9 LYS QD 1 1 68 1 1 1 1 9 LYS H . 9 LYS H 1 1 68 1 2 1 1 9 LYS QG . 9 LYS QG 1 1 69 1 1 1 1 9 LYS H . 9 LYS H 1 1 69 1 2 1 1 10 CYS H . 10 CYS H 1 1 70 1 1 1 1 9 LYS HA . 9 LYS HA 1 1 70 1 2 1 1 10 CYS H . 10 CYS H 1 1 71 1 1 1 1 9 LYS QB . 9 LYS QB 1 1 71 1 2 1 1 10 CYS H . 10 CYS H 1 1 72 1 1 1 1 9 LYS QD . 9 LYS QD 1 1 72 1 2 1 1 10 CYS H . 10 CYS H 1 1 73 1 1 1 1 9 LYS QG . 9 LYS QG 1 1 73 1 2 1 1 10 CYS H . 10 CYS H 1 1 74 1 1 1 1 10 CYS H . 10 CYS H 1 1 74 1 2 1 1 10 CYS HB2 . 10 CYS HB2 1 1 75 1 1 1 1 10 CYS H . 10 CYS H 1 1 75 1 2 1 1 10 CYS HB3 . 10 CYS HB3 1 1 76 1 1 1 1 11 PRO QB . 11 PRO QB 1 1 76 1 2 1 1 12 LEU H . 12 LEU H 1 1 77 1 1 1 1 11 PRO QG . 11 PRO QG 1 1 77 1 2 1 1 12 LEU H . 12 LEU H 1 1 78 1 1 1 1 12 LEU H . 12 LEU H 1 1 78 1 2 1 1 12 LEU QB . 12 LEU QB 1 1 79 1 1 1 1 12 LEU H . 12 LEU H 1 1 79 1 2 1 1 12 LEU QD . 12 LEU QQD 1 1 80 1 1 1 1 12 LEU H . 12 LEU H 1 1 80 1 2 1 1 12 LEU HG . 12 LEU QG 1 1 81 1 1 1 1 12 LEU H . 12 LEU H 1 1 81 1 2 1 1 13 PHE H . 13 PHE H 1 1 82 1 1 1 1 12 LEU H . 12 LEU H 1 1 82 1 2 1 1 17 GLY QA . 17 GLY QA 1 1 83 1 1 1 1 12 LEU HA . 12 LEU HA 1 1 83 1 2 1 1 13 PHE H . 13 PHE H 1 1 84 1 1 1 1 12 LEU QB . 12 LEU QB 1 1 84 1 2 1 1 13 PHE H . 13 PHE H 1 1 85 1 1 1 1 12 LEU QB . 12 LEU QB 1 1 85 1 2 1 1 13 PHE HD1 . 13 PHE HD1 1 1 86 1 1 1 1 12 LEU QB . 12 LEU QB 1 1 86 1 2 1 1 13 PHE QE . 13 PHE QE 1 1 87 1 1 1 1 12 LEU QD . 12 LEU QQD 1 1 87 1 2 1 1 13 PHE H . 13 PHE H 1 1 88 1 1 1 1 12 LEU QD . 12 LEU QQD 1 1 88 1 2 1 1 13 PHE HD1 . 13 PHE HD1 1 1 89 1 1 1 1 12 LEU QD . 12 LEU QQD 1 1 89 1 2 1 1 13 PHE QE . 13 PHE QE 1 1 90 1 1 1 1 12 LEU HG . 12 LEU QG 1 1 90 1 2 1 1 13 PHE H . 13 PHE H 1 1 91 1 1 1 1 12 LEU HG . 12 LEU QG 1 1 91 1 2 1 1 13 PHE HD1 . 13 PHE HD1 1 1 92 1 1 1 1 12 LEU HG . 12 LEU QG 1 1 92 1 2 1 1 13 PHE QE . 13 PHE QE 1 1 93 1 1 1 1 13 PHE H . 13 PHE H 1 1 93 1 2 1 1 13 PHE HB2 . 13 PHE HB2 1 1 94 1 1 1 1 13 PHE H . 13 PHE H 1 1 94 1 2 1 1 13 PHE HB3 . 13 PHE HB3 1 1 95 1 1 1 1 13 PHE H . 13 PHE H 1 1 95 1 2 1 1 14 GLY H . 14 GLY H 1 1 96 1 1 1 1 13 PHE HA . 13 PHE HA 1 1 96 1 2 1 1 13 PHE QD . 13 PHE QD 1 1 97 1 1 1 1 13 PHE HA . 13 PHE HA 1 1 97 1 2 1 1 13 PHE QE . 13 PHE QE 1 1 98 1 1 1 1 13 PHE HA . 13 PHE HA 1 1 98 1 2 1 1 14 GLY H . 14 GLY H 1 1 99 1 1 1 1 13 PHE HB2 . 13 PHE HB2 1 1 99 1 2 1 1 13 PHE QE . 13 PHE QE 1 1 100 1 1 1 1 13 PHE HB2 . 13 PHE HB2 1 1 100 1 2 1 1 14 GLY H . 14 GLY H 1 1 101 1 1 1 1 13 PHE HB3 . 13 PHE HB3 1 1 101 1 2 1 1 13 PHE QE . 13 PHE QE 1 1 102 1 1 1 1 13 PHE HB3 . 13 PHE HB3 1 1 102 1 2 1 1 14 GLY H . 14 GLY H 1 1 103 1 1 1 1 14 GLY H . 14 GLY H 1 1 103 1 2 1 1 15 LYS H . 15 LYS H 1 1 104 1 1 1 1 14 GLY QA . 14 GLY QA 1 1 104 1 2 1 1 15 LYS H . 15 LYS H 1 1 105 1 1 1 1 15 LYS H . 15 LYS H 1 1 105 1 2 1 1 15 LYS QB . 15 LYS QB 1 1 106 1 1 1 1 15 LYS H . 15 LYS H 1 1 106 1 2 1 1 15 LYS QD . 15 LYS QD 1 1 107 1 1 1 1 15 LYS H . 15 LYS H 1 1 107 1 2 1 1 15 LYS QG . 15 LYS QG 1 1 108 1 1 1 1 15 LYS H . 15 LYS H 1 1 108 1 2 1 1 16 GLY H . 16 GLY H 1 1 109 1 1 1 1 15 LYS HA . 15 LYS HA 1 1 109 1 2 1 1 16 GLY H . 16 GLY H 1 1 110 1 1 1 1 15 LYS QB . 15 LYS QB 1 1 110 1 2 1 1 16 GLY H . 16 GLY H 1 1 111 1 1 1 1 15 LYS QD . 15 LYS QD 1 1 111 1 2 1 1 16 GLY H . 16 GLY H 1 1 112 1 1 1 1 15 LYS QG . 15 LYS QG 1 1 112 1 2 1 1 16 GLY H . 16 GLY H 1 1 113 1 1 1 1 16 GLY H . 16 GLY H 1 1 113 1 2 1 1 17 GLY H . 17 GLY H 1 1 114 1 1 1 1 16 GLY QA . 16 GLY QA 1 1 114 1 2 1 1 17 GLY H . 17 GLY H 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . . . 3.3 1 1 2 1 . . . . . . . 5.0 1 1 3 1 . . . . . . . 3.8 1 1 4 1 . . . . . . . 4.0 1 1 5 1 . . . . . . . 5.0 1 1 6 1 . . . . . . . 3.5 1 1 7 1 . . . . . . . 5.0 1 1 8 1 . . . . . . . 3.5 1 1 9 1 . . . . . . . 3.5 1 1 10 1 . . . . . . . 4.5 1 1 11 1 . . . . . . . 3.5 1 1 12 1 . . . . . . . 3.8 1 1 13 1 . . . . . . . 3.8 1 1 14 1 . . . . . . . 3.5 1 1 15 1 . . . . . . . 4.0 1 1 16 1 . . . . . . . 4.0 1 1 17 1 . . . . . . . 3.5 1 1 18 1 . . . . . . . 3.5 1 1 19 1 . . . . . . . 3.5 1 1 20 1 . . . . . . . 4.5 1 1 21 1 . . . . . . . 4.5 1 1 22 1 . . . . . . . 3.5 1 1 23 1 . . . . . . . 3.5 1 1 24 1 . . . . . . . 3.8 1 1 25 1 . . . . . . . 3.8 1 1 26 1 . . . . . . . 3.5 1 1 27 1 . . . . . . . 4.8 1 1 28 1 . . . . . . . 4.0 1 1 29 1 . . . . . . . 3.5 1 1 30 1 . . . . . . . 5.3 1 1 31 1 . . . . . . . 3.8 1 1 32 1 . . . . . . . 5.3 1 1 33 1 . . . . . . . 3.8 1 1 34 1 . . . . . . . 5.0 1 1 35 1 . . . . . . . 4.5 1 1 36 1 . . . . . . . 4.5 1 1 37 1 . . . . . . . 4.2 1 1 38 1 . . . . . . . 4.8 1 1 39 1 . . . . . . . 4.5 1 1 40 1 . . . . . . . 4.5 1 1 41 1 . . . . . . . 3.8 1 1 42 1 . . . . . . . 4.5 1 1 43 1 . . . . . . . 3.3 1 1 44 1 . . . . . . . 5.3 1 1 45 1 . . . . . . . 5.0 1 1 46 1 . . . . . . . 5.0 1 1 47 1 . . . . . . . 5.0 1 1 48 1 . . . . . . . 4.0 1 1 49 1 . . . . . . . 5.3 1 1 50 1 . . . . . . . 3.8 1 1 51 1 . . . . . . . 3.8 1 1 52 1 . . . . . . . 4.0 1 1 53 1 . . . . . . . 4.2 1 1 54 1 . . . . . . . 3.5 1 1 55 1 . . . . . . . 3.8 1 1 56 1 . . . . . . . 4.2 1 1 57 1 . . . . . . . 4.5 1 1 58 1 . . . . . . . 3.5 1 1 59 1 . . . . . . . 4.0 1 1 60 1 . . . . . . . 4.0 1 1 61 1 . . . . . . . 3.5 1 1 62 1 . . . . . . . 3.5 1 1 63 1 . . . . . . . 4.5 1 1 64 1 . . . . . . . 4.8 1 1 65 1 . . . . . . . 4.5 1 1 66 1 . . . . . . . 3.8 1 1 67 1 . . . . . . . 3.8 1 1 68 1 . . . . . . . 3.8 1 1 69 1 . . . . . . . 3.5 1 1 70 1 . . . . . . . 3.5 1 1 71 1 . . . . . . . 4.0 1 1 72 1 . . . . . . . 4.5 1 1 73 1 . . . . . . . 4.5 1 1 74 1 . . . . . . . 3.8 1 1 75 1 . . . . . . . 3.8 1 1 76 1 . . . . . . . 5.0 1 1 77 1 . . . . . . . 4.5 1 1 78 1 . . . . . . . 3.5 1 1 79 1 . . . . . . . 3.8 1 1 80 1 . . . . . . . 4.5 1 1 81 1 . . . . . . . 4.5 1 1 82 1 . . . . . . . 4.0 1 1 83 1 . . . . . . . 3.5 1 1 84 1 . . . . . . . 4.5 1 1 85 1 . . . . . . . 5.0 1 1 86 1 . . . . . . . 5.0 1 1 87 1 . . . . . . . 4.9 1 1 88 1 . . . . . . . 4.0 1 1 89 1 . . . . . . . 4.0 1 1 90 1 . . . . . . . 4.8 1 1 91 1 . . . . . . . 5.0 1 1 92 1 . . . . . . . 5.0 1 1 93 1 . . . . . . . 3.8 1 1 94 1 . . . . . . . 3.8 1 1 95 1 . . . . . . . 3.5 1 1 96 1 . . . . . . . 4.0 1 1 97 1 . . . . . . . 5.3 1 1 98 1 . . . . . . . 3.5 1 1 99 1 . . . . . . . 5.0 1 1 100 1 . . . . . . . 5.0 1 1 101 1 . . . . . . . 5.0 1 1 102 1 . . . . . . . 5.0 1 1 103 1 . . . . . . . 3.5 1 1 104 1 . . . . . . . 3.5 1 1 105 1 . . . . . . . 3.8 1 1 106 1 . . . . . . . 4.0 1 1 107 1 . . . . . . . 4.0 1 1 108 1 . . . . . . . 3.8 1 1 109 1 . . . . . . . 3.5 1 1 110 1 . . . . . . . 4.0 1 1 111 1 . . . . . . . 4.8 1 1 112 1 . . . . . . . 4.5 1 1 113 1 . . . . . . . 3.5 1 1 114 1 . . . . . . . 3.5 1 1 stop_ save_ save_DYANA/DIANA_dihedral_2 _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 PSI 1 1 2 VAL N 1 1 2 VAL CA 1 1 2 VAL C 1 1 3 ALA N -120.0 120.0 . 2 VAL . . 2 VAL . . 2 VAL . . 2 VAL . 1 1 2 PHI 1 1 2 VAL C 1 1 3 ALA N 1 1 3 ALA CA 1 1 3 ALA C -120.0 -30.0 . 3 ALA . . 3 ALA . . 3 ALA . . 3 ALA . 1 1 3 PSI 1 1 3 ALA N 1 1 3 ALA CA 1 1 3 ALA C 1 1 4 ARG N -120.0 120.0 . 3 ALA . . 3 ALA . . 3 ALA . . 3 ALA . 1 1 4 PHI 1 1 3 ALA C 1 1 4 ARG N 1 1 4 ARG CA 1 1 4 ARG C -120.0 -30.0 . 4 ARG . . 4 ARG . . 4 ARG . . 4 ARG . 1 1 5 PSI 1 1 4 ARG N 1 1 4 ARG CA 1 1 4 ARG C 1 1 5 GLY N -120.0 120.0 . 4 ARG . . 4 ARG . . 4 ARG . . 4 ARG . 1 1 6 PHI 1 1 4 ARG C 1 1 5 GLY N 1 1 5 GLY CA 1 1 5 GLY C -120.0 -30.0 . 5 GLY . . 5 GLY . . 5 GLY . . 5 GLY . 1 1 7 PSI 1 1 5 GLY N 1 1 5 GLY CA 1 1 5 GLY C 1 1 6 TRP N -120.0 120.0 . 5 GLY . . 5 GLY . . 5 GLY . . 5 GLY . 1 1 8 PHI 1 1 5 GLY C 1 1 6 TRP N 1 1 6 TRP CA 1 1 6 TRP C -120.0 -30.0 . 6 TRP . . 6 TRP . . 6 TRP . . 6 TRP . 1 1 9 PSI 1 1 6 TRP N 1 1 6 TRP CA 1 1 6 TRP C 1 1 7 LYS N -120.0 120.0 . 6 TRP . . 6 TRP . . 6 TRP . . 6 TRP . 1 1 10 PHI 1 1 6 TRP C 1 1 7 LYS N 1 1 7 LYS CA 1 1 7 LYS C -120.0 -30.0 . 7 LYS . . 7 LYS . . 7 LYS . . 7 LYS . 1 1 11 PSI 1 1 7 LYS N 1 1 7 LYS CA 1 1 7 LYS C 1 1 8 ARG N -120.0 120.0 . 7 LYS . . 7 LYS . . 7 LYS . . 7 LYS . 1 1 12 PHI 1 1 7 LYS C 1 1 8 ARG N 1 1 8 ARG CA 1 1 8 ARG C -120.0 -30.0 . 8 ARG . . 8 ARG . . 8 ARG . . 8 ARG . 1 1 13 PSI 1 1 8 ARG N 1 1 8 ARG CA 1 1 8 ARG C 1 1 9 LYS N -120.0 120.0 . 8 ARG . . 8 ARG . . 8 ARG . . 8 ARG . 1 1 14 PHI 1 1 8 ARG C 1 1 9 LYS N 1 1 9 LYS CA 1 1 9 LYS C -120.0 -30.0 . 9 LYS . . 9 LYS . . 9 LYS . . 9 LYS . 1 1 15 PSI 1 1 9 LYS N 1 1 9 LYS CA 1 1 9 LYS C 1 1 10 CYS N -120.0 120.0 . 9 LYS . . 9 LYS . . 9 LYS . . 9 LYS . 1 1 16 PHI 1 1 9 LYS C 1 1 10 CYS N 1 1 10 CYS CA 1 1 10 CYS C -120.0 -30.0 . 10 CYS . . 10 CYS . . 10 CYS . . 10 CYS . 1 1 17 PSI 1 1 10 CYS N 1 1 10 CYS CA 1 1 10 CYS C 1 1 11 PRO N -120.0 120.0 . 10 CYS . . 10 CYS . . 10 CYS . . 10 CYS . 1 1 18 PHI 1 1 11 PRO C 1 1 12 LEU N 1 1 12 LEU CA 1 1 12 LEU C -120.0 -30.0 . 12 LEU . . 12 LEU . . 12 LEU . . 12 LEU . 1 1 19 PSI 1 1 12 LEU N 1 1 12 LEU CA 1 1 12 LEU C 1 1 13 PHE N -120.0 120.0 . 12 LEU . . 12 LEU . . 12 LEU . . 12 LEU . 1 1 20 PHI 1 1 12 LEU C 1 1 13 PHE N 1 1 13 PHE CA 1 1 13 PHE C -120.0 -30.0 . 13 PHE . . 13 PHE . . 13 PHE . . 13 PHE . 1 1 21 PSI 1 1 13 PHE N 1 1 13 PHE CA 1 1 13 PHE C 1 1 14 GLY N -120.0 120.0 . 13 PHE . . 13 PHE . . 13 PHE . . 13 PHE . 1 1 22 PHI 1 1 13 PHE C 1 1 14 GLY N 1 1 14 GLY CA 1 1 14 GLY C -120.0 -30.0 . 14 GLY . . 14 GLY . . 14 GLY . . 14 GLY . 1 1 23 PSI 1 1 14 GLY N 1 1 14 GLY CA 1 1 14 GLY C 1 1 15 LYS N -120.0 120.0 . 14 GLY . . 14 GLY . . 14 GLY . . 14 GLY . 1 1 24 PHI 1 1 14 GLY C 1 1 15 LYS N 1 1 15 LYS CA 1 1 15 LYS C -120.0 -30.0 . 15 LYS . . 15 LYS . . 15 LYS . . 15 LYS . 1 1 25 PSI 1 1 15 LYS N 1 1 15 LYS CA 1 1 15 LYS C 1 1 16 GLY N -120.0 120.0 . 15 LYS . . 15 LYS . . 15 LYS . . 15 LYS . 1 1 26 PHI 1 1 15 LYS C 1 1 16 GLY N 1 1 16 GLY CA 1 1 16 GLY C -120.0 -30.0 . 16 GLY . . 16 GLY . . 16 GLY . . 16 GLY . 1 1 27 PSI 1 1 16 GLY N 1 1 16 GLY CA 1 1 16 GLY C 1 1 17 GLY N -120.0 120.0 . 16 GLY . . 16 GLY . . 16 GLY . . 16 GLY . 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 PTL C1 C 2.784 -1.344 -1.455 1.00 . A A . 1 PTL C1 1 1 1 2 1 1 1 PTL C2 C 2.093 -0.001 -1.242 1.00 . A A . 1 PTL C2 1 1 1 3 1 1 1 PTL C3 C 3.131 1.123 -1.229 1.00 . A A . 1 PTL C3 1 1 1 4 1 1 1 PTL C4 C 2.560 2.472 -0.820 1.00 . A A . 1 PTL C4 1 1 1 5 1 1 1 PTL C5 C 2.687 2.731 0.652 1.00 . A A . 1 PTL C5 1 1 1 6 1 1 1 PTL H21 H 1.522 0.000 -0.314 1.00 . A A . 1 PTL H21 1 1 1 7 1 1 1 PTL H22 H 1.403 0.169 -2.055 1.00 . A A . 1 PTL H22 1 1 1 8 1 1 1 PTL H31 H 3.916 0.864 -0.535 1.00 . A A . 1 PTL H31 1 1 1 9 1 1 1 PTL H32 H 3.552 1.220 -2.218 1.00 . A A . 1 PTL H32 1 1 1 10 1 1 1 PTL H41 H 3.088 3.248 -1.354 1.00 . A A . 1 PTL H41 1 1 1 11 1 1 1 PTL H42 H 1.515 2.501 -1.088 1.00 . A A . 1 PTL H42 1 1 1 12 1 1 1 PTL H51 H 2.151 1.959 1.205 1.00 . A A . 1 PTL H51 1 1 1 13 1 1 1 PTL H52 H 2.264 3.707 0.888 1.00 . A A . 1 PTL H52 1 1 1 14 1 1 1 PTL H53 H 3.740 2.714 0.935 1.00 . A A . 1 PTL H53 1 1 1 15 1 1 1 PTL O1 O 2.591 -2.282 -0.681 1.00 . A A . 1 PTL O1 1 1 1 16 1 1 2 VAL C C 5.690 -2.666 -2.177 1.00 . A A . 2 VAL C 1 1 1 17 1 1 2 VAL CA C 4.309 -2.658 -2.823 1.00 . A A . 2 VAL CA 1 1 1 18 1 1 2 VAL CB C 4.465 -2.845 -4.344 1.00 . A A . 2 VAL CB 1 1 1 19 1 1 2 VAL CG1 C 5.129 -4.178 -4.653 1.00 . A A . 2 VAL CG1 1 1 1 20 1 1 2 VAL CG2 C 3.113 -2.740 -5.034 1.00 . A A . 2 VAL CG2 1 1 1 21 1 1 2 VAL H H 3.702 -0.649 -3.090 1.00 . A A . 2 VAL H 1 1 1 22 1 1 2 VAL HA H 3.736 -3.489 -2.436 1.00 . A A . 2 VAL HA 1 1 1 23 1 1 2 VAL HB H 5.100 -2.056 -4.720 1.00 . A A . 2 VAL HB 1 1 1 24 1 1 2 VAL HG11 H 4.974 -4.857 -3.828 1.00 . A A . 2 VAL HG11 1 1 1 25 1 1 2 VAL HG12 H 4.697 -4.596 -5.551 1.00 . A A . 2 VAL HG12 1 1 1 26 1 1 2 VAL HG13 H 6.188 -4.026 -4.800 1.00 . A A . 2 VAL HG13 1 1 1 27 1 1 2 VAL HG21 H 2.748 -1.727 -4.959 1.00 . A A . 2 VAL HG21 1 1 1 28 1 1 2 VAL HG22 H 3.220 -3.008 -6.075 1.00 . A A . 2 VAL HG22 1 1 1 29 1 1 2 VAL HG23 H 2.413 -3.411 -4.559 1.00 . A A . 2 VAL HG23 1 1 1 30 1 1 2 VAL N N 3.589 -1.430 -2.509 1.00 . A A . 2 VAL N 1 1 1 31 1 1 2 VAL O O 6.337 -3.709 -2.085 1.00 . A A . 2 VAL O 1 1 1 32 1 1 3 ALA C C 7.518 -2.230 0.167 1.00 . A A . 3 ALA C 1 1 1 33 1 1 3 ALA CA C 7.437 -1.369 -1.089 1.00 . A A . 3 ALA CA 1 1 1 34 1 1 3 ALA CB C 7.719 0.088 -0.752 1.00 . A A . 3 ALA CB 1 1 1 35 1 1 3 ALA H H 5.571 -0.701 -1.831 1.00 . A A . 3 ALA H 1 1 1 36 1 1 3 ALA HA H 8.188 -1.702 -1.791 1.00 . A A . 3 ALA HA 1 1 1 37 1 1 3 ALA HB1 H 7.912 0.637 -1.661 1.00 . A A . 3 ALA HB1 1 1 1 38 1 1 3 ALA HB2 H 6.862 0.513 -0.249 1.00 . A A . 3 ALA HB2 1 1 1 39 1 1 3 ALA HB3 H 8.582 0.147 -0.105 1.00 . A A . 3 ALA HB3 1 1 1 40 1 1 3 ALA N N 6.134 -1.496 -1.729 1.00 . A A . 3 ALA N 1 1 1 41 1 1 3 ALA O O 8.606 -2.610 0.601 1.00 . A A . 3 ALA O 1 1 1 42 1 1 4 ARG C C 7.005 -4.686 1.742 1.00 . A A . 4 ARG C 1 1 1 43 1 1 4 ARG CA C 6.303 -3.348 1.954 1.00 . A A . 4 ARG CA 1 1 1 44 1 1 4 ARG CB C 4.848 -3.583 2.366 1.00 . A A . 4 ARG CB 1 1 1 45 1 1 4 ARG CD C 2.655 -2.407 2.717 1.00 . A A . 4 ARG CD 1 1 1 46 1 1 4 ARG CG C 4.162 -2.342 2.913 1.00 . A A . 4 ARG CG 1 1 1 47 1 1 4 ARG CZ C 0.636 -2.066 4.077 1.00 . A A . 4 ARG CZ 1 1 1 48 1 1 4 ARG H H 5.528 -2.201 0.353 1.00 . A A . 4 ARG H 1 1 1 49 1 1 4 ARG HA H 6.808 -2.810 2.742 1.00 . A A . 4 ARG HA 1 1 1 50 1 1 4 ARG HB2 H 4.293 -3.925 1.505 1.00 . A A . 4 ARG HB2 1 1 1 51 1 1 4 ARG HB3 H 4.822 -4.348 3.128 1.00 . A A . 4 ARG HB3 1 1 1 52 1 1 4 ARG HD2 H 2.396 -1.840 1.835 1.00 . A A . 4 ARG HD2 1 1 1 53 1 1 4 ARG HD3 H 2.368 -3.438 2.579 1.00 . A A . 4 ARG HD3 1 1 1 54 1 1 4 ARG HE H 2.435 -1.315 4.499 1.00 . A A . 4 ARG HE 1 1 1 55 1 1 4 ARG HG2 H 4.373 -2.261 3.969 1.00 . A A . 4 ARG HG2 1 1 1 56 1 1 4 ARG HG3 H 4.546 -1.474 2.399 1.00 . A A . 4 ARG HG3 1 1 1 57 1 1 4 ARG HH11 H 0.369 -3.203 2.429 1.00 . A A . 4 ARG HH11 1 1 1 58 1 1 4 ARG HH12 H -1.046 -2.955 3.397 1.00 . A A . 4 ARG HH12 1 1 1 59 1 1 4 ARG HH21 H -0.926 -1.691 5.303 1.00 . A A . 4 ARG HH21 1 1 1 60 1 1 4 ARG HH22 H 0.578 -0.981 5.782 1.00 . A A . 4 ARG HH22 1 1 1 61 1 1 4 ARG N N 6.362 -2.533 0.747 1.00 . A A . 4 ARG N 1 1 1 62 1 1 4 ARG NE N 1.931 -1.861 3.861 1.00 . A A . 4 ARG NE 1 1 1 63 1 1 4 ARG NH1 N -0.072 -2.801 3.231 1.00 . A A . 4 ARG NH1 1 1 1 64 1 1 4 ARG NH2 N 0.048 -1.536 5.142 1.00 . A A . 4 ARG NH2 1 1 1 65 1 1 4 ARG O O 7.781 -5.132 2.586 1.00 . A A . 4 ARG O 1 1 1 66 1 1 5 GLY C C 8.123 -6.579 -0.990 1.00 . A A . 5 GLY C 1 1 1 67 1 1 5 GLY CA C 7.338 -6.603 0.306 1.00 . A A . 5 GLY CA 1 1 1 68 1 1 5 GLY H H 6.099 -4.919 -0.028 1.00 . A A . 5 GLY H 1 1 1 69 1 1 5 GLY HA2 H 8.004 -6.871 1.113 1.00 . A A . 5 GLY HA2 1 1 1 70 1 1 5 GLY HA3 H 6.562 -7.351 0.230 1.00 . A A . 5 GLY HA3 1 1 1 71 1 1 5 GLY N N 6.726 -5.322 0.608 1.00 . A A . 5 GLY N 1 1 1 72 1 1 5 GLY O O 8.208 -7.587 -1.691 1.00 . A A . 5 GLY O 1 1 1 73 1 1 6 TRP C C 10.909 -4.852 -2.217 1.00 . A A . 6 TRP C 1 1 1 74 1 1 6 TRP CA C 9.478 -5.273 -2.533 1.00 . A A . 6 TRP CA 1 1 1 75 1 1 6 TRP CB C 8.823 -4.245 -3.457 1.00 . A A . 6 TRP CB 1 1 1 76 1 1 6 TRP CD1 C 9.730 -2.602 -5.203 1.00 . A A . 6 TRP CD1 1 1 1 77 1 1 6 TRP CD2 C 10.676 -4.631 -5.268 1.00 . A A . 6 TRP CD2 1 1 1 78 1 1 6 TRP CE2 C 11.259 -3.830 -6.270 1.00 . A A . 6 TRP CE2 1 1 1 79 1 1 6 TRP CE3 C 11.116 -5.949 -5.119 1.00 . A A . 6 TRP CE3 1 1 1 80 1 1 6 TRP CG C 9.701 -3.826 -4.597 1.00 . A A . 6 TRP CG 1 1 1 81 1 1 6 TRP CH2 C 12.666 -5.601 -6.949 1.00 . A A . 6 TRP CH2 1 1 1 82 1 1 6 TRP CZ2 C 12.255 -4.307 -7.118 1.00 . A A . 6 TRP CZ2 1 1 1 83 1 1 6 TRP CZ3 C 12.105 -6.421 -5.961 1.00 . A A . 6 TRP CZ3 1 1 1 84 1 1 6 TRP H H 8.594 -4.656 -0.711 1.00 . A A . 6 TRP H 1 1 1 85 1 1 6 TRP HA H 9.499 -6.230 -3.033 1.00 . A A . 6 TRP HA 1 1 1 86 1 1 6 TRP HB2 H 7.918 -4.665 -3.870 1.00 . A A . 6 TRP HB2 1 1 1 87 1 1 6 TRP HB3 H 8.576 -3.363 -2.883 1.00 . A A . 6 TRP HB3 1 1 1 88 1 1 6 TRP HD1 H 9.102 -1.770 -4.922 1.00 . A A . 6 TRP HD1 1 1 1 89 1 1 6 TRP HE1 H 10.871 -1.835 -6.791 1.00 . A A . 6 TRP HE1 1 1 1 90 1 1 6 TRP HE3 H 10.695 -6.596 -4.363 1.00 . A A . 6 TRP HE3 1 1 1 91 1 1 6 TRP HH2 H 13.436 -6.012 -7.585 1.00 . A A . 6 TRP HH2 1 1 1 92 1 1 6 TRP HZ2 H 12.699 -3.688 -7.884 1.00 . A A . 6 TRP HZ2 1 1 1 93 1 1 6 TRP HZ3 H 12.456 -7.437 -5.861 1.00 . A A . 6 TRP HZ3 1 1 1 94 1 1 6 TRP N N 8.697 -5.425 -1.311 1.00 . A A . 6 TRP N 1 1 1 95 1 1 6 TRP NE1 N 10.664 -2.598 -6.210 1.00 . A A . 6 TRP NE1 1 1 1 96 1 1 6 TRP O O 11.831 -5.666 -2.266 1.00 . A A . 6 TRP O 1 1 1 97 1 1 7 LYS C C 12.556 -2.848 -0.061 1.00 . A A . 7 LYS C 1 1 1 98 1 1 7 LYS CA C 12.406 -3.047 -1.566 1.00 . A A . 7 LYS CA 1 1 1 99 1 1 7 LYS CB C 12.640 -1.720 -2.292 1.00 . A A . 7 LYS CB 1 1 1 100 1 1 7 LYS CD C 14.162 -2.819 -3.961 1.00 . A A . 7 LYS CD 1 1 1 101 1 1 7 LYS CE C 14.743 -2.695 -5.361 1.00 . A A . 7 LYS CE 1 1 1 102 1 1 7 LYS CG C 12.981 -1.884 -3.763 1.00 . A A . 7 LYS CG 1 1 1 103 1 1 7 LYS H H 10.313 -2.976 -1.871 1.00 . A A . 7 LYS H 1 1 1 104 1 1 7 LYS HA H 13.143 -3.763 -1.897 1.00 . A A . 7 LYS HA 1 1 1 105 1 1 7 LYS HB2 H 11.745 -1.120 -2.216 1.00 . A A . 7 LYS HB2 1 1 1 106 1 1 7 LYS HB3 H 13.455 -1.199 -1.811 1.00 . A A . 7 LYS HB3 1 1 1 107 1 1 7 LYS HD2 H 14.930 -2.573 -3.242 1.00 . A A . 7 LYS HD2 1 1 1 108 1 1 7 LYS HD3 H 13.834 -3.837 -3.806 1.00 . A A . 7 LYS HD3 1 1 1 109 1 1 7 LYS HE2 H 14.725 -3.666 -5.831 1.00 . A A . 7 LYS HE2 1 1 1 110 1 1 7 LYS HE3 H 14.132 -2.009 -5.930 1.00 . A A . 7 LYS HE3 1 1 1 111 1 1 7 LYS HG2 H 12.124 -2.290 -4.279 1.00 . A A . 7 LYS HG2 1 1 1 112 1 1 7 LYS HG3 H 13.227 -0.915 -4.176 1.00 . A A . 7 LYS HG3 1 1 1 113 1 1 7 LYS HZ1 H 16.811 -2.989 -5.389 1.00 . A A . 7 LYS HZ1 1 1 1 114 1 1 7 LYS HZ2 H 16.319 -1.663 -4.460 1.00 . A A . 7 LYS HZ2 1 1 1 115 1 1 7 LYS HZ3 H 16.311 -1.562 -6.148 1.00 . A A . 7 LYS HZ3 1 1 1 116 1 1 7 LYS N N 11.087 -3.576 -1.892 1.00 . A A . 7 LYS N 1 1 1 117 1 1 7 LYS NZ N 16.144 -2.192 -5.338 1.00 . A A . 7 LYS NZ 1 1 1 118 1 1 7 LYS O O 13.038 -3.733 0.646 1.00 . A A . 7 LYS O 1 1 1 119 1 1 8 ARG C C 10.835 -1.271 2.464 1.00 . A A . 8 ARG C 1 1 1 120 1 1 8 ARG CA C 12.225 -1.369 1.843 1.00 . A A . 8 ARG CA 1 1 1 121 1 1 8 ARG CB C 12.982 -0.056 2.051 1.00 . A A . 8 ARG CB 1 1 1 122 1 1 8 ARG CD C 15.160 -1.179 2.610 1.00 . A A . 8 ARG CD 1 1 1 123 1 1 8 ARG CG C 14.465 -0.151 1.731 1.00 . A A . 8 ARG CG 1 1 1 124 1 1 8 ARG CZ C 16.729 0.135 3.972 1.00 . A A . 8 ARG CZ 1 1 1 125 1 1 8 ARG H H 11.762 -1.017 -0.192 1.00 . A A . 8 ARG H 1 1 1 126 1 1 8 ARG HA H 12.767 -2.167 2.326 1.00 . A A . 8 ARG HA 1 1 1 127 1 1 8 ARG HB2 H 12.548 0.702 1.416 1.00 . A A . 8 ARG HB2 1 1 1 128 1 1 8 ARG HB3 H 12.877 0.246 3.082 1.00 . A A . 8 ARG HB3 1 1 1 129 1 1 8 ARG HD2 H 14.565 -1.335 3.498 1.00 . A A . 8 ARG HD2 1 1 1 130 1 1 8 ARG HD3 H 15.239 -2.107 2.062 1.00 . A A . 8 ARG HD3 1 1 1 131 1 1 8 ARG HE H 17.260 -1.134 2.528 1.00 . A A . 8 ARG HE 1 1 1 132 1 1 8 ARG HG2 H 14.584 -0.439 0.697 1.00 . A A . 8 ARG HG2 1 1 1 133 1 1 8 ARG HG3 H 14.921 0.815 1.893 1.00 . A A . 8 ARG HG3 1 1 1 134 1 1 8 ARG HH11 H 14.777 0.419 4.411 1.00 . A A . 8 ARG HH11 1 1 1 135 1 1 8 ARG HH12 H 15.894 1.339 5.364 1.00 . A A . 8 ARG HH12 1 1 1 136 1 1 8 ARG HH21 H 18.147 1.143 5.001 1.00 . A A . 8 ARG HH21 1 1 1 137 1 1 8 ARG HH22 H 18.740 0.073 3.776 1.00 . A A . 8 ARG HH22 1 1 1 138 1 1 8 ARG N N 12.138 -1.683 0.422 1.00 . A A . 8 ARG N 1 1 1 139 1 1 8 ARG NE N 16.498 -0.747 3.006 1.00 . A A . 8 ARG NE 1 1 1 140 1 1 8 ARG NH1 N 15.717 0.676 4.637 1.00 . A A . 8 ARG NH1 1 1 1 141 1 1 8 ARG NH2 N 17.974 0.478 4.274 1.00 . A A . 8 ARG NH2 1 1 1 142 1 1 8 ARG O O 10.148 -2.278 2.638 1.00 . A A . 8 ARG O 1 1 1 143 1 1 9 LYS C C 8.311 1.179 2.578 1.00 . A A . 9 LYS C 1 1 1 144 1 1 9 LYS CA C 9.119 0.180 3.400 1.00 . A A . 9 LYS CA 1 1 1 145 1 1 9 LYS CB C 9.278 0.693 4.833 1.00 . A A . 9 LYS CB 1 1 1 146 1 1 9 LYS CD C 11.676 0.414 5.527 1.00 . A A . 9 LYS CD 1 1 1 147 1 1 9 LYS CE C 11.533 0.057 6.999 1.00 . A A . 9 LYS CE 1 1 1 148 1 1 9 LYS CG C 10.601 1.394 5.085 1.00 . A A . 9 LYS CG 1 1 1 149 1 1 9 LYS H H 11.020 0.713 2.635 1.00 . A A . 9 LYS H 1 1 1 150 1 1 9 LYS HA H 8.592 -0.762 3.420 1.00 . A A . 9 LYS HA 1 1 1 151 1 1 9 LYS HB2 H 8.479 1.390 5.044 1.00 . A A . 9 LYS HB2 1 1 1 152 1 1 9 LYS HB3 H 9.202 -0.144 5.513 1.00 . A A . 9 LYS HB3 1 1 1 153 1 1 9 LYS HD2 H 11.592 -0.488 4.940 1.00 . A A . 9 LYS HD2 1 1 1 154 1 1 9 LYS HD3 H 12.646 0.861 5.367 1.00 . A A . 9 LYS HD3 1 1 1 155 1 1 9 LYS HE2 H 11.695 0.946 7.589 1.00 . A A . 9 LYS HE2 1 1 1 156 1 1 9 LYS HE3 H 10.532 -0.311 7.171 1.00 . A A . 9 LYS HE3 1 1 1 157 1 1 9 LYS HG2 H 10.922 1.876 4.174 1.00 . A A . 9 LYS HG2 1 1 1 158 1 1 9 LYS HG3 H 10.464 2.136 5.859 1.00 . A A . 9 LYS HG3 1 1 1 159 1 1 9 LYS HZ1 H 12.083 -1.929 7.338 1.00 . A A . 9 LYS HZ1 1 1 1 160 1 1 9 LYS HZ2 H 12.804 -0.828 8.400 1.00 . A A . 9 LYS HZ2 1 1 1 161 1 1 9 LYS HZ3 H 13.354 -0.948 6.805 1.00 . A A . 9 LYS HZ3 1 1 1 162 1 1 9 LYS N N 10.427 -0.051 2.798 1.00 . A A . 9 LYS N 1 1 1 163 1 1 9 LYS NZ N 12.512 -0.985 7.414 1.00 . A A . 9 LYS NZ 1 1 1 164 1 1 9 LYS O O 7.298 0.824 1.973 1.00 . A A . 9 LYS O 1 1 1 165 1 1 10 CYS C C 8.364 3.349 0.316 1.00 . A A . 10 CYS C 1 1 1 166 1 1 10 CYS CA C 8.084 3.477 1.810 1.00 . A A . 10 CYS CA 1 1 1 167 1 1 10 CYS CB C 8.524 4.855 2.307 1.00 . A A . 10 CYS CB 1 1 1 168 1 1 10 CYS H H 9.577 2.649 3.061 1.00 . A A . 10 CYS H 1 1 1 169 1 1 10 CYS HA H 7.023 3.366 1.975 1.00 . A A . 10 CYS HA 1 1 1 170 1 1 10 CYS HB2 H 9.439 4.750 2.872 1.00 . A A . 10 CYS HB2 1 1 1 171 1 1 10 CYS HB3 H 8.705 5.495 1.457 1.00 . A A . 10 CYS HB3 1 1 1 172 1 1 10 CYS HG H 6.653 4.742 4.035 1.00 . A A . 10 CYS HG 1 1 1 173 1 1 10 CYS N N 8.765 2.427 2.559 1.00 . A A . 10 CYS N 1 1 1 174 1 1 10 CYS O O 7.464 3.124 -0.493 1.00 . A A . 10 CYS O 1 1 1 175 1 1 10 CYS SG S 7.315 5.677 3.371 1.00 . A A . 10 CYS SG 1 1 1 176 1 1 11 PRO C C 9.973 1.979 -2.001 1.00 . A A . 11 PRO C 1 1 1 177 1 1 11 PRO CA C 10.072 3.401 -1.459 1.00 . A A . 11 PRO CA 1 1 1 178 1 1 11 PRO CB C 11.533 3.856 -1.414 1.00 . A A . 11 PRO CB 1 1 1 179 1 1 11 PRO CD C 10.769 3.764 0.850 1.00 . A A . 11 PRO CD 1 1 1 180 1 1 11 PRO CG C 11.978 3.563 -0.022 1.00 . A A . 11 PRO CG 1 1 1 181 1 1 11 PRO HA H 9.506 4.067 -2.094 1.00 . A A . 11 PRO HA 1 1 1 182 1 1 11 PRO HB2 H 12.109 3.298 -2.139 1.00 . A A . 11 PRO HB2 1 1 1 183 1 1 11 PRO HB3 H 11.593 4.911 -1.633 1.00 . A A . 11 PRO HB3 1 1 1 184 1 1 11 PRO HD2 H 10.776 3.064 1.672 1.00 . A A . 11 PRO HD2 1 1 1 185 1 1 11 PRO HD3 H 10.733 4.780 1.216 1.00 . A A . 11 PRO HD3 1 1 1 186 1 1 11 PRO HG2 H 12.323 2.543 0.046 1.00 . A A . 11 PRO HG2 1 1 1 187 1 1 11 PRO HG3 H 12.763 4.247 0.263 1.00 . A A . 11 PRO HG3 1 1 1 188 1 1 11 PRO N N 9.643 3.496 -0.061 1.00 . A A . 11 PRO N 1 1 1 189 1 1 11 PRO O O 10.380 1.022 -1.340 1.00 . A A . 11 PRO O 1 1 1 190 1 1 12 LEU C C 10.153 0.434 -5.085 1.00 . A A . 12 LEU C 1 1 1 191 1 1 12 LEU CA C 9.280 0.541 -3.839 1.00 . A A . 12 LEU CA 1 1 1 192 1 1 12 LEU CB C 7.815 0.297 -4.205 1.00 . A A . 12 LEU CB 1 1 1 193 1 1 12 LEU CD1 C 5.824 1.167 -5.454 1.00 . A A . 12 LEU CD1 1 1 1 194 1 1 12 LEU CD2 C 6.505 2.230 -3.295 1.00 . A A . 12 LEU CD2 1 1 1 195 1 1 12 LEU CG C 6.996 1.538 -4.558 1.00 . A A . 12 LEU CG 1 1 1 196 1 1 12 LEU H H 9.127 2.646 -3.685 1.00 . A A . 12 LEU H 1 1 1 197 1 1 12 LEU HA H 9.595 -0.209 -3.128 1.00 . A A . 12 LEU HA 1 1 1 198 1 1 12 LEU HB2 H 7.794 -0.367 -5.056 1.00 . A A . 12 LEU HB2 1 1 1 199 1 1 12 LEU HB3 H 7.341 -0.186 -3.362 1.00 . A A . 12 LEU HB3 1 1 1 200 1 1 12 LEU HD11 H 6.159 1.109 -6.478 1.00 . A A . 12 LEU HD11 1 1 1 201 1 1 12 LEU HD12 H 5.054 1.919 -5.369 1.00 . A A . 12 LEU HD12 1 1 1 202 1 1 12 LEU HD13 H 5.427 0.210 -5.149 1.00 . A A . 12 LEU HD13 1 1 1 203 1 1 12 LEU HD21 H 6.327 1.493 -2.526 1.00 . A A . 12 LEU HD21 1 1 1 204 1 1 12 LEU HD22 H 5.587 2.758 -3.507 1.00 . A A . 12 LEU HD22 1 1 1 205 1 1 12 LEU HD23 H 7.253 2.932 -2.955 1.00 . A A . 12 LEU HD23 1 1 1 206 1 1 12 LEU HG H 7.622 2.233 -5.099 1.00 . A A . 12 LEU HG 1 1 1 207 1 1 12 LEU N N 9.432 1.847 -3.207 1.00 . A A . 12 LEU N 1 1 1 208 1 1 12 LEU O O 11.334 0.099 -5.002 1.00 . A A . 12 LEU O 1 1 1 209 1 1 13 PHE C C 10.808 2.040 -7.901 1.00 . A A . 13 PHE C 1 1 1 210 1 1 13 PHE CA C 10.286 0.662 -7.505 1.00 . A A . 13 PHE CA 1 1 1 211 1 1 13 PHE CB C 9.381 0.111 -8.608 1.00 . A A . 13 PHE CB 1 1 1 212 1 1 13 PHE CD1 C 7.719 -1.334 -7.405 1.00 . A A . 13 PHE CD1 1 1 1 213 1 1 13 PHE CD2 C 9.296 -2.385 -8.853 1.00 . A A . 13 PHE CD2 1 1 1 214 1 1 13 PHE CE1 C 7.169 -2.565 -7.103 1.00 . A A . 13 PHE CE1 1 1 1 215 1 1 13 PHE CE2 C 8.750 -3.619 -8.555 1.00 . A A . 13 PHE CE2 1 1 1 216 1 1 13 PHE CG C 8.786 -1.229 -8.282 1.00 . A A . 13 PHE CG 1 1 1 217 1 1 13 PHE CZ C 7.686 -3.710 -7.678 1.00 . A A . 13 PHE CZ 1 1 1 218 1 1 13 PHE H H 8.618 0.985 -6.242 1.00 . A A . 13 PHE H 1 1 1 219 1 1 13 PHE HA H 11.125 -0.003 -7.374 1.00 . A A . 13 PHE HA 1 1 1 220 1 1 13 PHE HB2 H 8.568 0.802 -8.776 1.00 . A A . 13 PHE HB2 1 1 1 221 1 1 13 PHE HB3 H 9.955 0.009 -9.517 1.00 . A A . 13 PHE HB3 1 1 1 222 1 1 13 PHE HD1 H 7.314 -0.438 -6.954 1.00 . A A . 13 PHE HD1 1 1 1 223 1 1 13 PHE HD2 H 10.128 -2.316 -9.537 1.00 . A A . 13 PHE HD2 1 1 1 224 1 1 13 PHE HE1 H 6.338 -2.632 -6.417 1.00 . A A . 13 PHE HE1 1 1 1 225 1 1 13 PHE HE2 H 9.156 -4.513 -9.005 1.00 . A A . 13 PHE HE2 1 1 1 226 1 1 13 PHE HZ H 7.258 -4.673 -7.444 1.00 . A A . 13 PHE HZ 1 1 1 227 1 1 13 PHE N N 9.563 0.724 -6.240 1.00 . A A . 13 PHE N 1 1 1 228 1 1 13 PHE O O 11.897 2.444 -7.494 1.00 . A A . 13 PHE O 1 1 1 229 1 1 14 GLY C C 9.378 5.135 -8.825 1.00 . A A . 14 GLY C 1 1 1 230 1 1 14 GLY CA C 10.422 4.082 -9.138 1.00 . A A . 14 GLY CA 1 1 1 231 1 1 14 GLY H H 9.165 2.384 -8.992 1.00 . A A . 14 GLY H 1 1 1 232 1 1 14 GLY HA2 H 11.346 4.349 -8.647 1.00 . A A . 14 GLY HA2 1 1 1 233 1 1 14 GLY HA3 H 10.586 4.060 -10.205 1.00 . A A . 14 GLY HA3 1 1 1 234 1 1 14 GLY N N 10.023 2.757 -8.699 1.00 . A A . 14 GLY N 1 1 1 235 1 1 14 GLY O O 9.572 6.317 -9.111 1.00 . A A . 14 GLY O 1 1 1 236 1 1 15 LYS C C 7.513 6.385 -6.607 1.00 . A A . 15 LYS C 1 1 1 237 1 1 15 LYS CA C 7.185 5.622 -7.886 1.00 . A A . 15 LYS CA 1 1 1 238 1 1 15 LYS CB C 5.874 4.852 -7.712 1.00 . A A . 15 LYS CB 1 1 1 239 1 1 15 LYS CD C 5.855 2.513 -8.629 1.00 . A A . 15 LYS CD 1 1 1 240 1 1 15 LYS CE C 6.155 1.762 -9.917 1.00 . A A . 15 LYS CE 1 1 1 241 1 1 15 LYS CG C 5.524 3.971 -8.899 1.00 . A A . 15 LYS CG 1 1 1 242 1 1 15 LYS H H 8.169 3.753 -8.035 1.00 . A A . 15 LYS H 1 1 1 243 1 1 15 LYS HA H 7.073 6.329 -8.694 1.00 . A A . 15 LYS HA 1 1 1 244 1 1 15 LYS HB2 H 5.953 4.225 -6.836 1.00 . A A . 15 LYS HB2 1 1 1 245 1 1 15 LYS HB3 H 5.071 5.560 -7.566 1.00 . A A . 15 LYS HB3 1 1 1 246 1 1 15 LYS HD2 H 6.721 2.463 -7.986 1.00 . A A . 15 LYS HD2 1 1 1 247 1 1 15 LYS HD3 H 5.012 2.047 -8.138 1.00 . A A . 15 LYS HD3 1 1 1 248 1 1 15 LYS HE2 H 6.346 0.727 -9.678 1.00 . A A . 15 LYS HE2 1 1 1 249 1 1 15 LYS HE3 H 5.294 1.828 -10.565 1.00 . A A . 15 LYS HE3 1 1 1 250 1 1 15 LYS HG2 H 4.466 4.058 -9.100 1.00 . A A . 15 LYS HG2 1 1 1 251 1 1 15 LYS HG3 H 6.084 4.305 -9.761 1.00 . A A . 15 LYS HG3 1 1 1 252 1 1 15 LYS HZ1 H 7.069 2.642 -11.576 1.00 . A A . 15 LYS HZ1 1 1 1 253 1 1 15 LYS HZ2 H 8.080 1.599 -10.709 1.00 . A A . 15 LYS HZ2 1 1 1 254 1 1 15 LYS HZ3 H 7.721 3.132 -10.093 1.00 . A A . 15 LYS HZ3 1 1 1 255 1 1 15 LYS N N 8.265 4.708 -8.238 1.00 . A A . 15 LYS N 1 1 1 256 1 1 15 LYS NZ N 7.339 2.323 -10.623 1.00 . A A . 15 LYS NZ 1 1 1 257 1 1 15 LYS O O 8.553 7.035 -6.509 1.00 . A A . 15 LYS O 1 1 1 258 1 1 16 GLY C C 6.812 6.042 -3.181 1.00 . A A . 16 GLY C 1 1 1 259 1 1 16 GLY CA C 6.832 6.987 -4.366 1.00 . A A . 16 GLY CA 1 1 1 260 1 1 16 GLY H H 5.807 5.767 -5.761 1.00 . A A . 16 GLY H 1 1 1 261 1 1 16 GLY HA2 H 7.788 7.487 -4.399 1.00 . A A . 16 GLY HA2 1 1 1 262 1 1 16 GLY HA3 H 6.055 7.725 -4.236 1.00 . A A . 16 GLY HA3 1 1 1 263 1 1 16 GLY N N 6.618 6.300 -5.627 1.00 . A A . 16 GLY N 1 1 1 264 1 1 16 GLY O O 7.832 5.448 -2.834 1.00 . A A . 16 GLY O 1 1 1 265 1 1 17 GLY C C 4.297 5.337 -0.570 1.00 . A A . 17 GLY C 1 1 1 266 1 1 17 GLY CA C 5.520 5.024 -1.409 1.00 . A A . 17 GLY CA 1 1 1 267 1 1 17 GLY H H 4.866 6.401 -2.877 1.00 . A A . 17 GLY H 1 1 1 268 1 1 17 GLY HA2 H 5.454 4.003 -1.756 1.00 . A A . 17 GLY HA2 1 1 1 269 1 1 17 GLY HA3 H 6.401 5.127 -0.792 1.00 . A A . 17 GLY HA3 1 1 1 270 1 1 17 GLY N N 5.646 5.903 -2.556 1.00 . A A . 17 GLY N 1 1 1 271 1 1 17 GLY O O 3.875 6.490 -0.483 1.00 . A A . 17 GLY O 1 1 2 272 1 1 1 PTL C1 C 3.109 -1.439 -0.877 1.00 . A A . 1 PTL C1 1 1 2 273 1 1 1 PTL C2 C 2.423 -0.128 -0.507 1.00 . A A . 1 PTL C2 1 1 2 274 1 1 1 PTL C3 C 3.431 1.021 -0.557 1.00 . A A . 1 PTL C3 1 1 2 275 1 1 1 PTL C4 C 4.338 1.088 0.661 1.00 . A A . 1 PTL C4 1 1 2 276 1 1 1 PTL C5 C 4.032 2.260 1.545 1.00 . A A . 1 PTL C5 1 1 2 277 1 1 1 PTL H21 H 1.971 -0.192 0.482 1.00 . A A . 1 PTL H21 1 1 2 278 1 1 1 PTL H22 H 1.635 0.066 -1.219 1.00 . A A . 1 PTL H22 1 1 2 279 1 1 1 PTL H31 H 4.052 0.902 -1.434 1.00 . A A . 1 PTL H31 1 1 2 280 1 1 1 PTL H32 H 2.894 1.954 -0.630 1.00 . A A . 1 PTL H32 1 1 2 281 1 1 1 PTL H41 H 4.215 0.181 1.236 1.00 . A A . 1 PTL H41 1 1 2 282 1 1 1 PTL H42 H 5.362 1.163 0.326 1.00 . A A . 1 PTL H42 1 1 2 283 1 1 1 PTL H51 H 4.161 3.184 0.981 1.00 . A A . 1 PTL H51 1 1 2 284 1 1 1 PTL H52 H 4.709 2.259 2.399 1.00 . A A . 1 PTL H52 1 1 2 285 1 1 1 PTL H53 H 3.002 2.192 1.897 1.00 . A A . 1 PTL H53 1 1 2 286 1 1 1 PTL O1 O 3.109 -2.393 -0.097 1.00 . A A . 1 PTL O1 1 1 2 287 1 1 2 VAL C C 5.820 -2.714 -2.039 1.00 . A A . 2 VAL C 1 1 2 288 1 1 2 VAL CA C 4.382 -2.675 -2.543 1.00 . A A . 2 VAL CA 1 1 2 289 1 1 2 VAL CB C 4.386 -2.750 -4.082 1.00 . A A . 2 VAL CB 1 1 2 290 1 1 2 VAL CG1 C 5.085 -4.015 -4.553 1.00 . A A . 2 VAL CG1 1 1 2 291 1 1 2 VAL CG2 C 2.965 -2.684 -4.622 1.00 . A A . 2 VAL CG2 1 1 2 292 1 1 2 VAL H H 3.658 -0.689 -2.647 1.00 . A A . 2 VAL H 1 1 2 293 1 1 2 VAL HA H 3.855 -3.539 -2.163 1.00 . A A . 2 VAL HA 1 1 2 294 1 1 2 VAL HB H 4.933 -1.899 -4.461 1.00 . A A . 2 VAL HB 1 1 2 295 1 1 2 VAL HG11 H 6.117 -3.791 -4.786 1.00 . A A . 2 VAL HG11 1 1 2 296 1 1 2 VAL HG12 H 5.045 -4.762 -3.774 1.00 . A A . 2 VAL HG12 1 1 2 297 1 1 2 VAL HG13 H 4.593 -4.391 -5.437 1.00 . A A . 2 VAL HG13 1 1 2 298 1 1 2 VAL HG21 H 2.814 -1.738 -5.122 1.00 . A A . 2 VAL HG21 1 1 2 299 1 1 2 VAL HG22 H 2.810 -3.490 -5.321 1.00 . A A . 2 VAL HG22 1 1 2 300 1 1 2 VAL HG23 H 2.264 -2.775 -3.804 1.00 . A A . 2 VAL HG23 1 1 2 301 1 1 2 VAL N N 3.692 -1.481 -2.071 1.00 . A A . 2 VAL N 1 1 2 302 1 1 2 VAL O O 6.465 -3.762 -2.053 1.00 . A A . 2 VAL O 1 1 2 303 1 1 3 ALA C C 7.878 -2.375 0.124 1.00 . A A . 3 ALA C 1 1 2 304 1 1 3 ALA CA C 7.679 -1.467 -1.085 1.00 . A A . 3 ALA CA 1 1 2 305 1 1 3 ALA CB C 8.006 -0.026 -0.723 1.00 . A A . 3 ALA CB 1 1 2 306 1 1 3 ALA H H 5.754 -0.763 -1.610 1.00 . A A . 3 ALA H 1 1 2 307 1 1 3 ALA HA H 8.353 -1.777 -1.870 1.00 . A A . 3 ALA HA 1 1 2 308 1 1 3 ALA HB1 H 8.062 0.566 -1.625 1.00 . A A . 3 ALA HB1 1 1 2 309 1 1 3 ALA HB2 H 7.231 0.368 -0.081 1.00 . A A . 3 ALA HB2 1 1 2 310 1 1 3 ALA HB3 H 8.954 0.010 -0.208 1.00 . A A . 3 ALA HB3 1 1 2 311 1 1 3 ALA N N 6.317 -1.565 -1.595 1.00 . A A . 3 ALA N 1 1 2 312 1 1 3 ALA O O 8.934 -2.989 0.284 1.00 . A A . 3 ALA O 1 1 2 313 1 1 4 ARG C C 7.324 -4.717 1.815 1.00 . A A . 4 ARG C 1 1 2 314 1 1 4 ARG CA C 6.923 -3.287 2.168 1.00 . A A . 4 ARG CA 1 1 2 315 1 1 4 ARG CB C 5.573 -3.287 2.889 1.00 . A A . 4 ARG CB 1 1 2 316 1 1 4 ARG CD C 3.596 -1.827 3.413 1.00 . A A . 4 ARG CD 1 1 2 317 1 1 4 ARG CG C 5.112 -1.905 3.319 1.00 . A A . 4 ARG CG 1 1 2 318 1 1 4 ARG CZ C 3.200 -1.595 5.828 1.00 . A A . 4 ARG CZ 1 1 2 319 1 1 4 ARG H H 6.044 -1.942 0.791 1.00 . A A . 4 ARG H 1 1 2 320 1 1 4 ARG HA H 7.671 -2.868 2.824 1.00 . A A . 4 ARG HA 1 1 2 321 1 1 4 ARG HB2 H 4.826 -3.703 2.228 1.00 . A A . 4 ARG HB2 1 1 2 322 1 1 4 ARG HB3 H 5.649 -3.908 3.769 1.00 . A A . 4 ARG HB3 1 1 2 323 1 1 4 ARG HD2 H 3.292 -0.801 3.275 1.00 . A A . 4 ARG HD2 1 1 2 324 1 1 4 ARG HD3 H 3.169 -2.438 2.632 1.00 . A A . 4 ARG HD3 1 1 2 325 1 1 4 ARG HE H 2.682 -3.181 4.736 1.00 . A A . 4 ARG HE 1 1 2 326 1 1 4 ARG HG2 H 5.534 -1.679 4.287 1.00 . A A . 4 ARG HG2 1 1 2 327 1 1 4 ARG HG3 H 5.457 -1.180 2.595 1.00 . A A . 4 ARG HG3 1 1 2 328 1 1 4 ARG HH11 H 4.122 -0.019 4.962 1.00 . A A . 4 ARG HH11 1 1 2 329 1 1 4 ARG HH12 H 3.835 0.133 6.664 1.00 . A A . 4 ARG HH12 1 1 2 330 1 1 4 ARG HH21 H 2.801 -1.559 7.810 1.00 . A A . 4 ARG HH21 1 1 2 331 1 1 4 ARG HH22 H 2.301 -2.993 6.977 1.00 . A A . 4 ARG HH22 1 1 2 332 1 1 4 ARG N N 6.858 -2.456 0.973 1.00 . A A . 4 ARG N 1 1 2 333 1 1 4 ARG NE N 3.105 -2.297 4.705 1.00 . A A . 4 ARG NE 1 1 2 334 1 1 4 ARG NH1 N 3.766 -0.395 5.817 1.00 . A A . 4 ARG NH1 1 1 2 335 1 1 4 ARG NH2 N 2.729 -2.090 6.965 1.00 . A A . 4 ARG NH2 1 1 2 336 1 1 4 ARG O O 7.968 -5.405 2.605 1.00 . A A . 4 ARG O 1 1 2 337 1 1 5 GLY C C 8.091 -6.514 -1.084 1.00 . A A . 5 GLY C 1 1 2 338 1 1 5 GLY CA C 7.262 -6.502 0.185 1.00 . A A . 5 GLY CA 1 1 2 339 1 1 5 GLY H H 6.423 -4.564 0.033 1.00 . A A . 5 GLY H 1 1 2 340 1 1 5 GLY HA2 H 7.815 -6.998 0.968 1.00 . A A . 5 GLY HA2 1 1 2 341 1 1 5 GLY HA3 H 6.344 -7.043 0.007 1.00 . A A . 5 GLY HA3 1 1 2 342 1 1 5 GLY N N 6.936 -5.157 0.621 1.00 . A A . 5 GLY N 1 1 2 343 1 1 5 GLY O O 8.209 -7.545 -1.746 1.00 . A A . 5 GLY O 1 1 2 344 1 1 6 TRP C C 10.902 -4.807 -2.275 1.00 . A A . 6 TRP C 1 1 2 345 1 1 6 TRP CA C 9.485 -5.248 -2.625 1.00 . A A . 6 TRP CA 1 1 2 346 1 1 6 TRP CB C 8.856 -4.256 -3.603 1.00 . A A . 6 TRP CB 1 1 2 347 1 1 6 TRP CD1 C 9.834 -2.599 -5.296 1.00 . A A . 6 TRP CD1 1 1 2 348 1 1 6 TRP CD2 C 10.807 -4.616 -5.313 1.00 . A A . 6 TRP CD2 1 1 2 349 1 1 6 TRP CE2 C 11.433 -3.807 -6.282 1.00 . A A . 6 TRP CE2 1 1 2 350 1 1 6 TRP CE3 C 11.255 -5.928 -5.142 1.00 . A A . 6 TRP CE3 1 1 2 351 1 1 6 TRP CG C 9.788 -3.823 -4.694 1.00 . A A . 6 TRP CG 1 1 2 352 1 1 6 TRP CH2 C 12.896 -5.558 -6.887 1.00 . A A . 6 TRP CH2 1 1 2 353 1 1 6 TRP CZ2 C 12.479 -4.269 -7.076 1.00 . A A . 6 TRP CZ2 1 1 2 354 1 1 6 TRP CZ3 C 12.293 -6.387 -5.931 1.00 . A A . 6 TRP CZ3 1 1 2 355 1 1 6 TRP H H 8.533 -4.579 -0.857 1.00 . A A . 6 TRP H 1 1 2 356 1 1 6 TRP HA H 9.528 -6.222 -3.092 1.00 . A A . 6 TRP HA 1 1 2 357 1 1 6 TRP HB2 H 7.992 -4.711 -4.063 1.00 . A A . 6 TRP HB2 1 1 2 358 1 1 6 TRP HB3 H 8.546 -3.374 -3.060 1.00 . A A . 6 TRP HB3 1 1 2 359 1 1 6 TRP HD1 H 9.182 -1.775 -5.048 1.00 . A A . 6 TRP HD1 1 1 2 360 1 1 6 TRP HE1 H 11.049 -1.816 -6.820 1.00 . A A . 6 TRP HE1 1 1 2 361 1 1 6 TRP HE3 H 10.802 -6.581 -4.410 1.00 . A A . 6 TRP HE3 1 1 2 362 1 1 6 TRP HH2 H 13.704 -5.959 -7.480 1.00 . A A . 6 TRP HH2 1 1 2 363 1 1 6 TRP HZ2 H 12.955 -3.644 -7.816 1.00 . A A . 6 TRP HZ2 1 1 2 364 1 1 6 TRP HZ3 H 12.651 -7.398 -5.813 1.00 . A A . 6 TRP HZ3 1 1 2 365 1 1 6 TRP N N 8.664 -5.366 -1.425 1.00 . A A . 6 TRP N 1 1 2 366 1 1 6 TRP NE1 N 10.820 -2.581 -6.253 1.00 . A A . 6 TRP NE1 1 1 2 367 1 1 6 TRP O O 11.846 -5.594 -2.353 1.00 . A A . 6 TRP O 1 1 2 368 1 1 7 LYS C C 12.455 -2.809 -0.015 1.00 . A A . 7 LYS C 1 1 2 369 1 1 7 LYS CA C 12.346 -2.997 -1.524 1.00 . A A . 7 LYS CA 1 1 2 370 1 1 7 LYS CB C 12.577 -1.661 -2.233 1.00 . A A . 7 LYS CB 1 1 2 371 1 1 7 LYS CD C 14.189 -2.732 -3.834 1.00 . A A . 7 LYS CD 1 1 2 372 1 1 7 LYS CE C 14.848 -2.580 -5.196 1.00 . A A . 7 LYS CE 1 1 2 373 1 1 7 LYS CG C 12.993 -1.807 -3.687 1.00 . A A . 7 LYS CG 1 1 2 374 1 1 7 LYS H H 10.254 -2.964 -1.847 1.00 . A A . 7 LYS H 1 1 2 375 1 1 7 LYS HA H 13.102 -3.699 -1.843 1.00 . A A . 7 LYS HA 1 1 2 376 1 1 7 LYS HB2 H 11.665 -1.085 -2.198 1.00 . A A . 7 LYS HB2 1 1 2 377 1 1 7 LYS HB3 H 13.354 -1.119 -1.711 1.00 . A A . 7 LYS HB3 1 1 2 378 1 1 7 LYS HD2 H 14.914 -2.496 -3.068 1.00 . A A . 7 LYS HD2 1 1 2 379 1 1 7 LYS HD3 H 13.859 -3.755 -3.715 1.00 . A A . 7 LYS HD3 1 1 2 380 1 1 7 LYS HE2 H 15.404 -3.479 -5.415 1.00 . A A . 7 LYS HE2 1 1 2 381 1 1 7 LYS HE3 H 14.077 -2.444 -5.941 1.00 . A A . 7 LYS HE3 1 1 2 382 1 1 7 LYS HG2 H 12.166 -2.213 -4.250 1.00 . A A . 7 LYS HG2 1 1 2 383 1 1 7 LYS HG3 H 13.254 -0.833 -4.077 1.00 . A A . 7 LYS HG3 1 1 2 384 1 1 7 LYS HZ1 H 16.070 -1.228 -6.217 1.00 . A A . 7 LYS HZ1 1 1 2 385 1 1 7 LYS HZ2 H 16.618 -1.608 -4.662 1.00 . A A . 7 LYS HZ2 1 1 2 386 1 1 7 LYS HZ3 H 15.298 -0.568 -4.864 1.00 . A A . 7 LYS HZ3 1 1 2 387 1 1 7 LYS N N 11.044 -3.543 -1.889 1.00 . A A . 7 LYS N 1 1 2 388 1 1 7 LYS NZ N 15.773 -1.415 -5.239 1.00 . A A . 7 LYS NZ 1 1 2 389 1 1 7 LYS O O 12.945 -3.687 0.696 1.00 . A A . 7 LYS O 1 1 2 390 1 1 8 ARG C C 10.629 -1.254 2.473 1.00 . A A . 8 ARG C 1 1 2 391 1 1 8 ARG CA C 12.037 -1.358 1.894 1.00 . A A . 8 ARG CA 1 1 2 392 1 1 8 ARG CB C 12.798 -0.054 2.137 1.00 . A A . 8 ARG CB 1 1 2 393 1 1 8 ARG CD C 14.533 0.115 0.327 1.00 . A A . 8 ARG CD 1 1 2 394 1 1 8 ARG CG C 14.279 -0.141 1.804 1.00 . A A . 8 ARG CG 1 1 2 395 1 1 8 ARG CZ C 15.991 1.504 -1.084 1.00 . A A . 8 ARG CZ 1 1 2 396 1 1 8 ARG H H 11.613 -1.000 -0.148 1.00 . A A . 8 ARG H 1 1 2 397 1 1 8 ARG HA H 12.557 -2.165 2.388 1.00 . A A . 8 ARG HA 1 1 2 398 1 1 8 ARG HB2 H 12.360 0.723 1.530 1.00 . A A . 8 ARG HB2 1 1 2 399 1 1 8 ARG HB3 H 12.701 0.217 3.179 1.00 . A A . 8 ARG HB3 1 1 2 400 1 1 8 ARG HD2 H 14.852 -0.808 -0.135 1.00 . A A . 8 ARG HD2 1 1 2 401 1 1 8 ARG HD3 H 13.612 0.446 -0.131 1.00 . A A . 8 ARG HD3 1 1 2 402 1 1 8 ARG HE H 15.949 1.555 0.910 1.00 . A A . 8 ARG HE 1 1 2 403 1 1 8 ARG HG2 H 14.813 0.597 2.383 1.00 . A A . 8 ARG HG2 1 1 2 404 1 1 8 ARG HG3 H 14.637 -1.128 2.057 1.00 . A A . 8 ARG HG3 1 1 2 405 1 1 8 ARG HH11 H 14.776 0.247 -2.095 1.00 . A A . 8 ARG HH11 1 1 2 406 1 1 8 ARG HH12 H 15.809 1.232 -3.078 1.00 . A A . 8 ARG HH12 1 1 2 407 1 1 8 ARG HH21 H 17.252 2.715 -2.097 1.00 . A A . 8 ARG HH21 1 1 2 408 1 1 8 ARG HH22 H 17.314 2.857 -0.373 1.00 . A A . 8 ARG HH22 1 1 2 409 1 1 8 ARG N N 11.992 -1.661 0.469 1.00 . A A . 8 ARG N 1 1 2 410 1 1 8 ARG NE N 15.561 1.130 0.116 1.00 . A A . 8 ARG NE 1 1 2 411 1 1 8 ARG NH1 N 15.484 0.948 -2.175 1.00 . A A . 8 ARG NH1 1 1 2 412 1 1 8 ARG NH2 N 16.930 2.435 -1.194 1.00 . A A . 8 ARG NH2 1 1 2 413 1 1 8 ARG O O 9.907 -2.247 2.560 1.00 . A A . 8 ARG O 1 1 2 414 1 1 9 LYS C C 8.162 1.239 2.628 1.00 . A A . 9 LYS C 1 1 2 415 1 1 9 LYS CA C 8.924 0.192 3.436 1.00 . A A . 9 LYS CA 1 1 2 416 1 1 9 LYS CB C 9.048 0.647 4.892 1.00 . A A . 9 LYS CB 1 1 2 417 1 1 9 LYS CD C 10.477 1.818 6.594 1.00 . A A . 9 LYS CD 1 1 2 418 1 1 9 LYS CE C 9.625 2.891 7.255 1.00 . A A . 9 LYS CE 1 1 2 419 1 1 9 LYS CG C 10.144 1.673 5.118 1.00 . A A . 9 LYS CG 1 1 2 420 1 1 9 LYS H H 10.866 0.709 2.772 1.00 . A A . 9 LYS H 1 1 2 421 1 1 9 LYS HA H 8.377 -0.738 3.403 1.00 . A A . 9 LYS HA 1 1 2 422 1 1 9 LYS HB2 H 8.108 1.080 5.202 1.00 . A A . 9 LYS HB2 1 1 2 423 1 1 9 LYS HB3 H 9.258 -0.215 5.509 1.00 . A A . 9 LYS HB3 1 1 2 424 1 1 9 LYS HD2 H 10.296 0.875 7.088 1.00 . A A . 9 LYS HD2 1 1 2 425 1 1 9 LYS HD3 H 11.519 2.086 6.694 1.00 . A A . 9 LYS HD3 1 1 2 426 1 1 9 LYS HE2 H 8.592 2.730 6.984 1.00 . A A . 9 LYS HE2 1 1 2 427 1 1 9 LYS HE3 H 9.732 2.807 8.326 1.00 . A A . 9 LYS HE3 1 1 2 428 1 1 9 LYS HG2 H 11.031 1.361 4.588 1.00 . A A . 9 LYS HG2 1 1 2 429 1 1 9 LYS HG3 H 9.813 2.629 4.738 1.00 . A A . 9 LYS HG3 1 1 2 430 1 1 9 LYS HZ1 H 9.357 4.632 6.132 1.00 . A A . 9 LYS HZ1 1 1 2 431 1 1 9 LYS HZ2 H 10.979 4.236 6.407 1.00 . A A . 9 LYS HZ2 1 1 2 432 1 1 9 LYS HZ3 H 10.047 4.897 7.654 1.00 . A A . 9 LYS HZ3 1 1 2 433 1 1 9 LYS N N 10.246 -0.044 2.867 1.00 . A A . 9 LYS N 1 1 2 434 1 1 9 LYS NZ N 10.030 4.260 6.832 1.00 . A A . 9 LYS NZ 1 1 2 435 1 1 9 LYS O O 7.044 0.993 2.175 1.00 . A A . 9 LYS O 1 1 2 436 1 1 10 CYS C C 8.457 3.354 0.208 1.00 . A A . 10 CYS C 1 1 2 437 1 1 10 CYS CA C 8.157 3.487 1.697 1.00 . A A . 10 CYS CA 1 1 2 438 1 1 10 CYS CB C 8.650 4.841 2.210 1.00 . A A . 10 CYS CB 1 1 2 439 1 1 10 CYS H H 9.667 2.539 2.837 1.00 . A A . 10 CYS H 1 1 2 440 1 1 10 CYS HA H 7.089 3.423 1.844 1.00 . A A . 10 CYS HA 1 1 2 441 1 1 10 CYS HB2 H 9.518 4.687 2.833 1.00 . A A . 10 CYS HB2 1 1 2 442 1 1 10 CYS HB3 H 8.924 5.458 1.368 1.00 . A A . 10 CYS HB3 1 1 2 443 1 1 10 CYS HG H 7.238 6.926 2.610 1.00 . A A . 10 CYS HG 1 1 2 444 1 1 10 CYS N N 8.776 2.403 2.451 1.00 . A A . 10 CYS N 1 1 2 445 1 1 10 CYS O O 7.568 3.122 -0.611 1.00 . A A . 10 CYS O 1 1 2 446 1 1 10 CYS SG S 7.428 5.749 3.187 1.00 . A A . 10 CYS SG 1 1 2 447 1 1 11 PRO C C 10.102 1.984 -2.083 1.00 . A A . 11 PRO C 1 1 2 448 1 1 11 PRO CA C 10.186 3.409 -1.546 1.00 . A A . 11 PRO CA 1 1 2 449 1 1 11 PRO CB C 11.644 3.872 -1.484 1.00 . A A . 11 PRO CB 1 1 2 450 1 1 11 PRO CD C 10.852 3.786 0.769 1.00 . A A . 11 PRO CD 1 1 2 451 1 1 11 PRO CG C 12.072 3.588 -0.086 1.00 . A A . 11 PRO CG 1 1 2 452 1 1 11 PRO HA H 9.625 4.068 -2.190 1.00 . A A . 11 PRO HA 1 1 2 453 1 1 11 PRO HB2 H 12.233 3.315 -2.199 1.00 . A A . 11 PRO HB2 1 1 2 454 1 1 11 PRO HB3 H 11.700 4.926 -1.707 1.00 . A A . 11 PRO HB3 1 1 2 455 1 1 11 PRO HD2 H 10.852 3.089 1.595 1.00 . A A . 11 PRO HD2 1 1 2 456 1 1 11 PRO HD3 H 10.806 4.802 1.132 1.00 . A A . 11 PRO HD3 1 1 2 457 1 1 11 PRO HG2 H 12.423 2.570 -0.009 1.00 . A A . 11 PRO HG2 1 1 2 458 1 1 11 PRO HG3 H 12.850 4.278 0.206 1.00 . A A . 11 PRO HG3 1 1 2 459 1 1 11 PRO N N 9.739 3.507 -0.153 1.00 . A A . 11 PRO N 1 1 2 460 1 1 11 PRO O O 10.584 1.043 -1.452 1.00 . A A . 11 PRO O 1 1 2 461 1 1 12 LEU C C 10.197 0.419 -5.135 1.00 . A A . 12 LEU C 1 1 2 462 1 1 12 LEU CA C 9.343 0.522 -3.875 1.00 . A A . 12 LEU CA 1 1 2 463 1 1 12 LEU CB C 7.876 0.259 -4.217 1.00 . A A . 12 LEU CB 1 1 2 464 1 1 12 LEU CD1 C 5.859 1.117 -5.433 1.00 . A A . 12 LEU CD1 1 1 2 465 1 1 12 LEU CD2 C 6.537 2.149 -3.259 1.00 . A A . 12 LEU CD2 1 1 2 466 1 1 12 LEU CG C 7.031 1.492 -4.539 1.00 . A A . 12 LEU CG 1 1 2 467 1 1 12 LEU H H 9.127 2.621 -3.708 1.00 . A A . 12 LEU H 1 1 2 468 1 1 12 LEU HA H 9.677 -0.221 -3.167 1.00 . A A . 12 LEU HA 1 1 2 469 1 1 12 LEU HB2 H 7.848 -0.393 -5.077 1.00 . A A . 12 LEU HB2 1 1 2 470 1 1 12 LEU HB3 H 7.425 -0.242 -3.373 1.00 . A A . 12 LEU HB3 1 1 2 471 1 1 12 LEU HD11 H 6.178 1.122 -6.465 1.00 . A A . 12 LEU HD11 1 1 2 472 1 1 12 LEU HD12 H 5.061 1.833 -5.300 1.00 . A A . 12 LEU HD12 1 1 2 473 1 1 12 LEU HD13 H 5.505 0.131 -5.169 1.00 . A A . 12 LEU HD13 1 1 2 474 1 1 12 LEU HD21 H 5.607 2.661 -3.452 1.00 . A A . 12 LEU HD21 1 1 2 475 1 1 12 LEU HD22 H 7.274 2.860 -2.912 1.00 . A A . 12 LEU HD22 1 1 2 476 1 1 12 LEU HD23 H 6.383 1.393 -2.502 1.00 . A A . 12 LEU HD23 1 1 2 477 1 1 12 LEU HG H 7.639 2.210 -5.071 1.00 . A A . 12 LEU HG 1 1 2 478 1 1 12 LEU N N 9.490 1.833 -3.252 1.00 . A A . 12 LEU N 1 1 2 479 1 1 12 LEU O O 11.375 0.065 -5.072 1.00 . A A . 12 LEU O 1 1 2 480 1 1 13 PHE C C 10.809 2.061 -7.955 1.00 . A A . 13 PHE C 1 1 2 481 1 1 13 PHE CA C 10.303 0.678 -7.553 1.00 . A A . 13 PHE CA 1 1 2 482 1 1 13 PHE CB C 9.386 0.121 -8.644 1.00 . A A . 13 PHE CB 1 1 2 483 1 1 13 PHE CD1 C 7.732 -1.325 -7.432 1.00 . A A . 13 PHE CD1 1 1 2 484 1 1 13 PHE CD2 C 9.321 -2.377 -8.865 1.00 . A A . 13 PHE CD2 1 1 2 485 1 1 13 PHE CE1 C 7.191 -2.558 -7.120 1.00 . A A . 13 PHE CE1 1 1 2 486 1 1 13 PHE CE2 C 8.783 -3.613 -8.558 1.00 . A A . 13 PHE CE2 1 1 2 487 1 1 13 PHE CG C 8.801 -1.220 -8.306 1.00 . A A . 13 PHE CG 1 1 2 488 1 1 13 PHE CZ C 7.718 -3.704 -7.683 1.00 . A A . 13 PHE CZ 1 1 2 489 1 1 13 PHE H H 8.656 1.010 -6.264 1.00 . A A . 13 PHE H 1 1 2 490 1 1 13 PHE HA H 11.149 0.019 -7.434 1.00 . A A . 13 PHE HA 1 1 2 491 1 1 13 PHE HB2 H 8.569 0.808 -8.803 1.00 . A A . 13 PHE HB2 1 1 2 492 1 1 13 PHE HB3 H 9.949 0.019 -9.559 1.00 . A A . 13 PHE HB3 1 1 2 493 1 1 13 PHE HD1 H 7.319 -0.428 -6.990 1.00 . A A . 13 PHE HD1 1 1 2 494 1 1 13 PHE HD2 H 10.154 -2.308 -9.548 1.00 . A A . 13 PHE HD2 1 1 2 495 1 1 13 PHE HE1 H 6.358 -2.625 -6.436 1.00 . A A . 13 PHE HE1 1 1 2 496 1 1 13 PHE HE2 H 9.198 -4.508 -8.999 1.00 . A A . 13 PHE HE2 1 1 2 497 1 1 13 PHE HZ H 7.296 -4.668 -7.442 1.00 . A A . 13 PHE HZ 1 1 2 498 1 1 13 PHE N N 9.597 0.734 -6.278 1.00 . A A . 13 PHE N 1 1 2 499 1 1 13 PHE O O 11.907 2.466 -7.576 1.00 . A A . 13 PHE O 1 1 2 500 1 1 14 GLY C C 9.341 5.154 -8.825 1.00 . A A . 14 GLY C 1 1 2 501 1 1 14 GLY CA C 10.381 4.108 -9.169 1.00 . A A . 14 GLY CA 1 1 2 502 1 1 14 GLY H H 9.135 2.405 -8.998 1.00 . A A . 14 GLY H 1 1 2 503 1 1 14 GLY HA2 H 11.315 4.376 -8.699 1.00 . A A . 14 GLY HA2 1 1 2 504 1 1 14 GLY HA3 H 10.519 4.092 -10.240 1.00 . A A . 14 GLY HA3 1 1 2 505 1 1 14 GLY N N 9.999 2.779 -8.727 1.00 . A A . 14 GLY N 1 1 2 506 1 1 14 GLY O O 9.533 6.342 -9.087 1.00 . A A . 14 GLY O 1 1 2 507 1 1 15 LYS C C 7.497 6.363 -6.570 1.00 . A A . 15 LYS C 1 1 2 508 1 1 15 LYS CA C 7.156 5.622 -7.859 1.00 . A A . 15 LYS CA 1 1 2 509 1 1 15 LYS CB C 5.847 4.848 -7.684 1.00 . A A . 15 LYS CB 1 1 2 510 1 1 15 LYS CD C 5.823 2.518 -8.620 1.00 . A A . 15 LYS CD 1 1 2 511 1 1 15 LYS CE C 6.118 1.778 -9.916 1.00 . A A . 15 LYS CE 1 1 2 512 1 1 15 LYS CG C 5.491 3.978 -8.877 1.00 . A A . 15 LYS CG 1 1 2 513 1 1 15 LYS H H 8.137 3.757 -8.056 1.00 . A A . 15 LYS H 1 1 2 514 1 1 15 LYS HA H 7.033 6.343 -8.652 1.00 . A A . 15 LYS HA 1 1 2 515 1 1 15 LYS HB2 H 5.932 4.213 -6.814 1.00 . A A . 15 LYS HB2 1 1 2 516 1 1 15 LYS HB3 H 5.044 5.554 -7.525 1.00 . A A . 15 LYS HB3 1 1 2 517 1 1 15 LYS HD2 H 6.691 2.461 -7.981 1.00 . A A . 15 LYS HD2 1 1 2 518 1 1 15 LYS HD3 H 4.982 2.046 -8.131 1.00 . A A . 15 LYS HD3 1 1 2 519 1 1 15 LYS HE2 H 6.309 0.741 -9.688 1.00 . A A . 15 LYS HE2 1 1 2 520 1 1 15 LYS HE3 H 5.256 1.852 -10.562 1.00 . A A . 15 LYS HE3 1 1 2 521 1 1 15 LYS HG2 H 4.432 4.066 -9.071 1.00 . A A . 15 LYS HG2 1 1 2 522 1 1 15 LYS HG3 H 6.047 4.319 -9.738 1.00 . A A . 15 LYS HG3 1 1 2 523 1 1 15 LYS HZ1 H 8.045 1.624 -10.709 1.00 . A A . 15 LYS HZ1 1 1 2 524 1 1 15 LYS HZ2 H 7.679 3.155 -10.089 1.00 . A A . 15 LYS HZ2 1 1 2 525 1 1 15 LYS HZ3 H 7.030 2.666 -11.572 1.00 . A A . 15 LYS HZ3 1 1 2 526 1 1 15 LYS N N 8.232 4.715 -8.238 1.00 . A A . 15 LYS N 1 1 2 527 1 1 15 LYS NZ N 7.301 2.345 -10.621 1.00 . A A . 15 LYS NZ 1 1 2 528 1 1 15 LYS O O 8.542 7.004 -6.470 1.00 . A A . 15 LYS O 1 1 2 529 1 1 16 GLY C C 6.809 5.970 -3.144 1.00 . A A . 16 GLY C 1 1 2 530 1 1 16 GLY CA C 6.836 6.932 -4.315 1.00 . A A . 16 GLY CA 1 1 2 531 1 1 16 GLY H H 5.794 5.741 -5.721 1.00 . A A . 16 GLY H 1 1 2 532 1 1 16 GLY HA2 H 7.799 7.420 -4.344 1.00 . A A . 16 GLY HA2 1 1 2 533 1 1 16 GLY HA3 H 6.070 7.678 -4.170 1.00 . A A . 16 GLY HA3 1 1 2 534 1 1 16 GLY N N 6.609 6.267 -5.585 1.00 . A A . 16 GLY N 1 1 2 535 1 1 16 GLY O O 7.820 5.350 -2.817 1.00 . A A . 16 GLY O 1 1 2 536 1 1 17 GLY C C 4.262 5.225 -0.564 1.00 . A A . 17 GLY C 1 1 2 537 1 1 17 GLY CA C 5.516 4.952 -1.373 1.00 . A A . 17 GLY CA 1 1 2 538 1 1 17 GLY H H 4.875 6.366 -2.813 1.00 . A A . 17 GLY H 1 1 2 539 1 1 17 GLY HA2 H 5.487 3.934 -1.731 1.00 . A A . 17 GLY HA2 1 1 2 540 1 1 17 GLY HA3 H 6.376 5.074 -0.731 1.00 . A A . 17 GLY HA3 1 1 2 541 1 1 17 GLY N N 5.648 5.846 -2.508 1.00 . A A . 17 GLY N 1 1 2 542 1 1 17 GLY O O 3.337 5.879 -1.043 1.00 . A A . 17 GLY O 1 1 3 543 1 1 1 PTL C1 C 2.880 -1.867 -0.139 1.00 . A A . 1 PTL C1 1 1 3 544 1 1 1 PTL C2 C 2.067 -0.649 0.287 1.00 . A A . 1 PTL C2 1 1 3 545 1 1 1 PTL C3 C 1.234 -0.987 1.525 1.00 . A A . 1 PTL C3 1 1 3 546 1 1 1 PTL C4 C 0.816 0.234 2.328 1.00 . A A . 1 PTL C4 1 1 3 547 1 1 1 PTL C5 C 1.732 0.506 3.484 1.00 . A A . 1 PTL C5 1 1 3 548 1 1 1 PTL H21 H 1.392 -0.362 -0.519 1.00 . A A . 1 PTL H21 1 1 3 549 1 1 1 PTL H22 H 2.745 0.156 0.529 1.00 . A A . 1 PTL H22 1 1 3 550 1 1 1 PTL H31 H 0.341 -1.508 1.213 1.00 . A A . 1 PTL H31 1 1 3 551 1 1 1 PTL H32 H 1.812 -1.633 2.169 1.00 . A A . 1 PTL H32 1 1 3 552 1 1 1 PTL H41 H 0.817 1.095 1.677 1.00 . A A . 1 PTL H41 1 1 3 553 1 1 1 PTL H42 H -0.183 0.073 2.708 1.00 . A A . 1 PTL H42 1 1 3 554 1 1 1 PTL H51 H 1.223 1.138 4.212 1.00 . A A . 1 PTL H51 1 1 3 555 1 1 1 PTL H52 H 2.013 -0.435 3.955 1.00 . A A . 1 PTL H52 1 1 3 556 1 1 1 PTL H53 H 2.628 1.013 3.126 1.00 . A A . 1 PTL H53 1 1 3 557 1 1 1 PTL O1 O 3.117 -2.778 0.655 1.00 . A A . 1 PTL O1 1 1 3 558 1 1 2 VAL C C 5.570 -2.826 -1.576 1.00 . A A . 2 VAL C 1 1 3 559 1 1 2 VAL CA C 4.095 -2.982 -1.930 1.00 . A A . 2 VAL CA 1 1 3 560 1 1 2 VAL CB C 3.954 -3.086 -3.461 1.00 . A A . 2 VAL CB 1 1 3 561 1 1 2 VAL CG1 C 4.863 -2.081 -4.151 1.00 . A A . 2 VAL CG1 1 1 3 562 1 1 2 VAL CG2 C 4.259 -4.502 -3.929 1.00 . A A . 2 VAL CG2 1 1 3 563 1 1 2 VAL H H 3.086 -1.122 -1.983 1.00 . A A . 2 VAL H 1 1 3 564 1 1 2 VAL HA H 3.724 -3.898 -1.493 1.00 . A A . 2 VAL HA 1 1 3 565 1 1 2 VAL HB H 2.932 -2.855 -3.725 1.00 . A A . 2 VAL HB 1 1 3 566 1 1 2 VAL HG11 H 5.863 -2.483 -4.211 1.00 . A A . 2 VAL HG11 1 1 3 567 1 1 2 VAL HG12 H 4.492 -1.882 -5.146 1.00 . A A . 2 VAL HG12 1 1 3 568 1 1 2 VAL HG13 H 4.880 -1.162 -3.583 1.00 . A A . 2 VAL HG13 1 1 3 569 1 1 2 VAL HG21 H 5.325 -4.622 -4.040 1.00 . A A . 2 VAL HG21 1 1 3 570 1 1 2 VAL HG22 H 3.891 -5.208 -3.199 1.00 . A A . 2 VAL HG22 1 1 3 571 1 1 2 VAL HG23 H 3.775 -4.679 -4.878 1.00 . A A . 2 VAL HG23 1 1 3 572 1 1 2 VAL N N 3.306 -1.877 -1.399 1.00 . A A . 2 VAL N 1 1 3 573 1 1 2 VAL O O 6.307 -3.807 -1.501 1.00 . A A . 2 VAL O 1 1 3 574 1 1 3 ALA C C 7.823 -2.129 0.190 1.00 . A A . 3 ALA C 1 1 3 575 1 1 3 ALA CA C 7.378 -1.300 -1.011 1.00 . A A . 3 ALA CA 1 1 3 576 1 1 3 ALA CB C 7.556 0.184 -0.725 1.00 . A A . 3 ALA CB 1 1 3 577 1 1 3 ALA H H 5.356 -0.844 -1.435 1.00 . A A . 3 ALA H 1 1 3 578 1 1 3 ALA HA H 7.995 -1.554 -1.860 1.00 . A A . 3 ALA HA 1 1 3 579 1 1 3 ALA HB1 H 8.374 0.321 -0.033 1.00 . A A . 3 ALA HB1 1 1 3 580 1 1 3 ALA HB2 H 7.773 0.703 -1.647 1.00 . A A . 3 ALA HB2 1 1 3 581 1 1 3 ALA HB3 H 6.648 0.579 -0.295 1.00 . A A . 3 ALA HB3 1 1 3 582 1 1 3 ALA N N 5.992 -1.586 -1.359 1.00 . A A . 3 ALA N 1 1 3 583 1 1 3 ALA O O 8.998 -2.475 0.316 1.00 . A A . 3 ALA O 1 1 3 584 1 1 4 ARG C C 7.568 -4.655 1.887 1.00 . A A . 4 ARG C 1 1 3 585 1 1 4 ARG CA C 7.175 -3.229 2.262 1.00 . A A . 4 ARG CA 1 1 3 586 1 1 4 ARG CB C 5.965 -3.251 3.198 1.00 . A A . 4 ARG CB 1 1 3 587 1 1 4 ARG CD C 3.515 -3.787 3.364 1.00 . A A . 4 ARG CD 1 1 3 588 1 1 4 ARG CG C 4.842 -4.159 2.721 1.00 . A A . 4 ARG CG 1 1 3 589 1 1 4 ARG CZ C 2.816 -5.868 4.473 1.00 . A A . 4 ARG CZ 1 1 3 590 1 1 4 ARG H H 5.960 -2.138 0.915 1.00 . A A . 4 ARG H 1 1 3 591 1 1 4 ARG HA H 8.003 -2.761 2.770 1.00 . A A . 4 ARG HA 1 1 3 592 1 1 4 ARG HB2 H 6.283 -3.592 4.171 1.00 . A A . 4 ARG HB2 1 1 3 593 1 1 4 ARG HB3 H 5.575 -2.248 3.285 1.00 . A A . 4 ARG HB3 1 1 3 594 1 1 4 ARG HD2 H 3.552 -2.750 3.660 1.00 . A A . 4 ARG HD2 1 1 3 595 1 1 4 ARG HD3 H 2.727 -3.927 2.638 1.00 . A A . 4 ARG HD3 1 1 3 596 1 1 4 ARG HE H 3.349 -4.195 5.419 1.00 . A A . 4 ARG HE 1 1 3 597 1 1 4 ARG HG2 H 4.748 -4.067 1.649 1.00 . A A . 4 ARG HG2 1 1 3 598 1 1 4 ARG HG3 H 5.084 -5.179 2.977 1.00 . A A . 4 ARG HG3 1 1 3 599 1 1 4 ARG HH11 H 2.824 -5.941 2.454 1.00 . A A . 4 ARG HH11 1 1 3 600 1 1 4 ARG HH12 H 2.334 -7.401 3.248 1.00 . A A . 4 ARG HH12 1 1 3 601 1 1 4 ARG HH21 H 2.265 -7.497 5.536 1.00 . A A . 4 ARG HH21 1 1 3 602 1 1 4 ARG HH22 H 2.705 -6.111 6.476 1.00 . A A . 4 ARG HH22 1 1 3 603 1 1 4 ARG N N 6.878 -2.443 1.069 1.00 . A A . 4 ARG N 1 1 3 604 1 1 4 ARG NE N 3.228 -4.606 4.539 1.00 . A A . 4 ARG NE 1 1 3 605 1 1 4 ARG NH1 N 2.643 -6.451 3.295 1.00 . A A . 4 ARG NH1 1 1 3 606 1 1 4 ARG NH2 N 2.576 -6.548 5.587 1.00 . A A . 4 ARG NH2 1 1 3 607 1 1 4 ARG O O 8.348 -5.299 2.588 1.00 . A A . 4 ARG O 1 1 3 608 1 1 5 GLY C C 8.096 -6.506 -0.975 1.00 . A A . 5 GLY C 1 1 3 609 1 1 5 GLY CA C 7.326 -6.489 0.330 1.00 . A A . 5 GLY CA 1 1 3 610 1 1 5 GLY H H 6.405 -4.584 0.258 1.00 . A A . 5 GLY H 1 1 3 611 1 1 5 GLY HA2 H 7.913 -6.985 1.089 1.00 . A A . 5 GLY HA2 1 1 3 612 1 1 5 GLY HA3 H 6.400 -7.030 0.196 1.00 . A A . 5 GLY HA3 1 1 3 613 1 1 5 GLY N N 7.021 -5.143 0.778 1.00 . A A . 5 GLY N 1 1 3 614 1 1 5 GLY O O 8.160 -7.532 -1.652 1.00 . A A . 5 GLY O 1 1 3 615 1 1 6 TRP C C 10.889 -4.854 -2.276 1.00 . A A . 6 TRP C 1 1 3 616 1 1 6 TRP CA C 9.447 -5.255 -2.566 1.00 . A A . 6 TRP CA 1 1 3 617 1 1 6 TRP CB C 8.799 -4.234 -3.502 1.00 . A A . 6 TRP CB 1 1 3 618 1 1 6 TRP CD1 C 9.731 -2.594 -5.237 1.00 . A A . 6 TRP CD1 1 1 3 619 1 1 6 TRP CD2 C 10.660 -4.630 -5.304 1.00 . A A . 6 TRP CD2 1 1 3 620 1 1 6 TRP CE2 C 11.256 -3.832 -6.299 1.00 . A A . 6 TRP CE2 1 1 3 621 1 1 6 TRP CE3 C 11.086 -5.954 -5.157 1.00 . A A . 6 TRP CE3 1 1 3 622 1 1 6 TRP CG C 9.688 -3.819 -4.636 1.00 . A A . 6 TRP CG 1 1 3 623 1 1 6 TRP CH2 C 12.651 -5.614 -6.976 1.00 . A A . 6 TRP CH2 1 1 3 624 1 1 6 TRP CZ2 C 12.253 -4.315 -7.142 1.00 . A A . 6 TRP CZ2 1 1 3 625 1 1 6 TRP CZ3 C 12.075 -6.432 -5.995 1.00 . A A . 6 TRP CZ3 1 1 3 626 1 1 6 TRP H H 8.591 -4.583 -0.749 1.00 . A A . 6 TRP H 1 1 3 627 1 1 6 TRP HA H 9.444 -6.222 -3.046 1.00 . A A . 6 TRP HA 1 1 3 628 1 1 6 TRP HB2 H 7.900 -4.659 -3.922 1.00 . A A . 6 TRP HB2 1 1 3 629 1 1 6 TRP HB3 H 8.544 -3.349 -2.937 1.00 . A A . 6 TRP HB3 1 1 3 630 1 1 6 TRP HD1 H 9.111 -1.757 -4.957 1.00 . A A . 6 TRP HD1 1 1 3 631 1 1 6 TRP HE1 H 10.889 -1.832 -6.815 1.00 . A A . 6 TRP HE1 1 1 3 632 1 1 6 TRP HE3 H 10.655 -6.599 -4.406 1.00 . A A . 6 TRP HE3 1 1 3 633 1 1 6 TRP HH2 H 13.421 -6.030 -7.608 1.00 . A A . 6 TRP HH2 1 1 3 634 1 1 6 TRP HZ2 H 12.706 -3.697 -7.904 1.00 . A A . 6 TRP HZ2 1 1 3 635 1 1 6 TRP HZ3 H 12.417 -7.452 -5.895 1.00 . A A . 6 TRP HZ3 1 1 3 636 1 1 6 TRP N N 8.679 -5.367 -1.330 1.00 . A A . 6 TRP N 1 1 3 637 1 1 6 TRP NE1 N 10.671 -2.595 -6.238 1.00 . A A . 6 TRP NE1 1 1 3 638 1 1 6 TRP O O 11.801 -5.677 -2.356 1.00 . A A . 6 TRP O 1 1 3 639 1 1 7 LYS C C 12.599 -2.880 -0.133 1.00 . A A . 7 LYS C 1 1 3 640 1 1 7 LYS CA C 12.420 -3.074 -1.635 1.00 . A A . 7 LYS CA 1 1 3 641 1 1 7 LYS CB C 12.659 -1.749 -2.363 1.00 . A A . 7 LYS CB 1 1 3 642 1 1 7 LYS CD C 14.181 -2.866 -4.020 1.00 . A A . 7 LYS CD 1 1 3 643 1 1 7 LYS CE C 14.759 -2.767 -5.423 1.00 . A A . 7 LYS CE 1 1 3 644 1 1 7 LYS CG C 13.010 -1.917 -3.831 1.00 . A A . 7 LYS CG 1 1 3 645 1 1 7 LYS H H 10.321 -2.976 -1.893 1.00 . A A . 7 LYS H 1 1 3 646 1 1 7 LYS HA H 13.141 -3.800 -1.981 1.00 . A A . 7 LYS HA 1 1 3 647 1 1 7 LYS HB2 H 11.765 -1.148 -2.295 1.00 . A A . 7 LYS HB2 1 1 3 648 1 1 7 LYS HB3 H 13.472 -1.228 -1.878 1.00 . A A . 7 LYS HB3 1 1 3 649 1 1 7 LYS HD2 H 14.954 -2.619 -3.307 1.00 . A A . 7 LYS HD2 1 1 3 650 1 1 7 LYS HD3 H 13.843 -3.879 -3.850 1.00 . A A . 7 LYS HD3 1 1 3 651 1 1 7 LYS HE2 H 15.013 -3.759 -5.766 1.00 . A A . 7 LYS HE2 1 1 3 652 1 1 7 LYS HE3 H 14.012 -2.342 -6.077 1.00 . A A . 7 LYS HE3 1 1 3 653 1 1 7 LYS HG2 H 12.152 -2.313 -4.355 1.00 . A A . 7 LYS HG2 1 1 3 654 1 1 7 LYS HG3 H 13.271 -0.952 -4.243 1.00 . A A . 7 LYS HG3 1 1 3 655 1 1 7 LYS HZ1 H 15.913 -1.164 -4.745 1.00 . A A . 7 LYS HZ1 1 1 3 656 1 1 7 LYS HZ2 H 16.077 -1.473 -6.400 1.00 . A A . 7 LYS HZ2 1 1 3 657 1 1 7 LYS HZ3 H 16.824 -2.488 -5.273 1.00 . A A . 7 LYS HZ3 1 1 3 658 1 1 7 LYS N N 11.089 -3.585 -1.939 1.00 . A A . 7 LYS N 1 1 3 659 1 1 7 LYS NZ N 15.978 -1.914 -5.463 1.00 . A A . 7 LYS NZ 1 1 3 660 1 1 7 LYS O O 13.093 -3.768 0.563 1.00 . A A . 7 LYS O 1 1 3 661 1 1 8 ARG C C 10.931 -1.334 2.436 1.00 . A A . 8 ARG C 1 1 3 662 1 1 8 ARG CA C 12.307 -1.405 1.782 1.00 . A A . 8 ARG CA 1 1 3 663 1 1 8 ARG CB C 13.047 -0.081 1.979 1.00 . A A . 8 ARG CB 1 1 3 664 1 1 8 ARG CD C 15.272 -1.161 2.429 1.00 . A A . 8 ARG CD 1 1 3 665 1 1 8 ARG CG C 14.516 -0.141 1.592 1.00 . A A . 8 ARG CG 1 1 3 666 1 1 8 ARG CZ C 17.584 -0.871 1.646 1.00 . A A . 8 ARG CZ 1 1 3 667 1 1 8 ARG H H 11.807 -1.047 -0.244 1.00 . A A . 8 ARG H 1 1 3 668 1 1 8 ARG HA H 12.874 -2.197 2.249 1.00 . A A . 8 ARG HA 1 1 3 669 1 1 8 ARG HB2 H 12.570 0.677 1.375 1.00 . A A . 8 ARG HB2 1 1 3 670 1 1 8 ARG HB3 H 12.982 0.202 3.018 1.00 . A A . 8 ARG HB3 1 1 3 671 1 1 8 ARG HD2 H 14.801 -1.230 3.398 1.00 . A A . 8 ARG HD2 1 1 3 672 1 1 8 ARG HD3 H 15.223 -2.120 1.935 1.00 . A A . 8 ARG HD3 1 1 3 673 1 1 8 ARG HE H 16.947 -0.467 3.492 1.00 . A A . 8 ARG HE 1 1 3 674 1 1 8 ARG HG2 H 14.594 -0.419 0.550 1.00 . A A . 8 ARG HG2 1 1 3 675 1 1 8 ARG HG3 H 14.957 0.833 1.741 1.00 . A A . 8 ARG HG3 1 1 3 676 1 1 8 ARG HH11 H 16.298 -1.573 0.256 1.00 . A A . 8 ARG HH11 1 1 3 677 1 1 8 ARG HH12 H 17.931 -1.364 -0.283 1.00 . A A . 8 ARG HH12 1 1 3 678 1 1 8 ARG HH21 H 19.524 -0.577 1.162 1.00 . A A . 8 ARG HH21 1 1 3 679 1 1 8 ARG HH22 H 19.100 -0.187 2.795 1.00 . A A . 8 ARG HH22 1 1 3 680 1 1 8 ARG N N 12.193 -1.715 0.361 1.00 . A A . 8 ARG N 1 1 3 681 1 1 8 ARG NE N 16.673 -0.790 2.610 1.00 . A A . 8 ARG NE 1 1 3 682 1 1 8 ARG NH1 N 17.243 -1.306 0.441 1.00 . A A . 8 ARG NH1 1 1 3 683 1 1 8 ARG NH2 N 18.839 -0.515 1.887 1.00 . A A . 8 ARG NH2 1 1 3 684 1 1 8 ARG O O 10.250 -2.347 2.588 1.00 . A A . 8 ARG O 1 1 3 685 1 1 9 LYS C C 8.390 1.075 2.668 1.00 . A A . 9 LYS C 1 1 3 686 1 1 9 LYS CA C 9.232 0.079 3.458 1.00 . A A . 9 LYS CA 1 1 3 687 1 1 9 LYS CB C 9.420 0.577 4.892 1.00 . A A . 9 LYS CB 1 1 3 688 1 1 9 LYS CD C 11.584 -0.252 5.863 1.00 . A A . 9 LYS CD 1 1 3 689 1 1 9 LYS CE C 12.293 -1.537 6.260 1.00 . A A . 9 LYS CE 1 1 3 690 1 1 9 LYS CG C 10.077 -0.440 5.809 1.00 . A A . 9 LYS CG 1 1 3 691 1 1 9 LYS H H 11.115 0.643 2.672 1.00 . A A . 9 LYS H 1 1 3 692 1 1 9 LYS HA H 8.718 -0.870 3.480 1.00 . A A . 9 LYS HA 1 1 3 693 1 1 9 LYS HB2 H 10.035 1.465 4.874 1.00 . A A . 9 LYS HB2 1 1 3 694 1 1 9 LYS HB3 H 8.453 0.828 5.303 1.00 . A A . 9 LYS HB3 1 1 3 695 1 1 9 LYS HD2 H 11.935 0.053 4.887 1.00 . A A . 9 LYS HD2 1 1 3 696 1 1 9 LYS HD3 H 11.817 0.516 6.586 1.00 . A A . 9 LYS HD3 1 1 3 697 1 1 9 LYS HE2 H 11.713 -2.031 7.025 1.00 . A A . 9 LYS HE2 1 1 3 698 1 1 9 LYS HE3 H 12.363 -2.178 5.393 1.00 . A A . 9 LYS HE3 1 1 3 699 1 1 9 LYS HG2 H 9.676 -0.327 6.805 1.00 . A A . 9 LYS HG2 1 1 3 700 1 1 9 LYS HG3 H 9.860 -1.434 5.443 1.00 . A A . 9 LYS HG3 1 1 3 701 1 1 9 LYS HZ1 H 14.021 -2.115 7.281 1.00 . A A . 9 LYS HZ1 1 1 3 702 1 1 9 LYS HZ2 H 13.646 -0.474 7.444 1.00 . A A . 9 LYS HZ2 1 1 3 703 1 1 9 LYS HZ3 H 14.307 -1.051 5.999 1.00 . A A . 9 LYS HZ3 1 1 3 704 1 1 9 LYS N N 10.527 -0.128 2.821 1.00 . A A . 9 LYS N 1 1 3 705 1 1 9 LYS NZ N 13.663 -1.277 6.782 1.00 . A A . 9 LYS NZ 1 1 3 706 1 1 9 LYS O O 7.378 0.710 2.069 1.00 . A A . 9 LYS O 1 1 3 707 1 1 10 CYS C C 8.337 3.274 0.451 1.00 . A A . 10 CYS C 1 1 3 708 1 1 10 CYS CA C 8.099 3.384 1.954 1.00 . A A . 10 CYS CA 1 1 3 709 1 1 10 CYS CB C 8.538 4.762 2.453 1.00 . A A . 10 CYS CB 1 1 3 710 1 1 10 CYS H H 9.628 2.565 3.167 1.00 . A A . 10 CYS H 1 1 3 711 1 1 10 CYS HA H 7.046 3.259 2.150 1.00 . A A . 10 CYS HA 1 1 3 712 1 1 10 CYS HB2 H 9.470 4.662 2.991 1.00 . A A . 10 CYS HB2 1 1 3 713 1 1 10 CYS HB3 H 8.689 5.412 1.604 1.00 . A A . 10 CYS HB3 1 1 3 714 1 1 10 CYS HG H 8.030 6.271 4.444 1.00 . A A . 10 CYS HG 1 1 3 715 1 1 10 CYS N N 8.814 2.335 2.671 1.00 . A A . 10 CYS N 1 1 3 716 1 1 10 CYS O O 7.415 3.044 -0.332 1.00 . A A . 10 CYS O 1 1 3 717 1 1 10 CYS SG S 7.350 5.560 3.558 1.00 . A A . 10 CYS SG 1 1 3 718 1 1 11 PRO C C 9.895 1.953 -1.927 1.00 . A A . 11 PRO C 1 1 3 719 1 1 11 PRO CA C 9.989 3.371 -1.374 1.00 . A A . 11 PRO CA 1 1 3 720 1 1 11 PRO CB C 11.442 3.848 -1.368 1.00 . A A . 11 PRO CB 1 1 3 721 1 1 11 PRO CD C 10.750 3.722 0.916 1.00 . A A . 11 PRO CD 1 1 3 722 1 1 11 PRO CG C 11.934 3.549 0.006 1.00 . A A . 11 PRO CG 1 1 3 723 1 1 11 PRO HA H 9.393 4.034 -1.984 1.00 . A A . 11 PRO HA 1 1 3 724 1 1 11 PRO HB2 H 12.005 3.306 -2.116 1.00 . A A . 11 PRO HB2 1 1 3 725 1 1 11 PRO HB3 H 11.480 4.906 -1.579 1.00 . A A . 11 PRO HB3 1 1 3 726 1 1 11 PRO HD2 H 10.792 3.015 1.730 1.00 . A A . 11 PRO HD2 1 1 3 727 1 1 11 PRO HD3 H 10.709 4.733 1.294 1.00 . A A . 11 PRO HD3 1 1 3 728 1 1 11 PRO HG2 H 12.297 2.533 0.054 1.00 . A A . 11 PRO HG2 1 1 3 729 1 1 11 PRO HG3 H 12.717 4.242 0.275 1.00 . A A . 11 PRO HG3 1 1 3 730 1 1 11 PRO N N 9.601 3.444 0.038 1.00 . A A . 11 PRO N 1 1 3 731 1 1 11 PRO O O 10.275 0.989 -1.261 1.00 . A A . 11 PRO O 1 1 3 732 1 1 12 LEU C C 10.131 0.435 -5.030 1.00 . A A . 12 LEU C 1 1 3 733 1 1 12 LEU CA C 9.245 0.531 -3.792 1.00 . A A . 12 LEU CA 1 1 3 734 1 1 12 LEU CB C 7.784 0.288 -4.177 1.00 . A A . 12 LEU CB 1 1 3 735 1 1 12 LEU CD1 C 5.837 1.166 -5.489 1.00 . A A . 12 LEU CD1 1 1 3 736 1 1 12 LEU CD2 C 6.427 2.199 -3.289 1.00 . A A . 12 LEU CD2 1 1 3 737 1 1 12 LEU CG C 6.971 1.530 -4.543 1.00 . A A . 12 LEU CG 1 1 3 738 1 1 12 LEU H H 9.102 2.636 -3.631 1.00 . A A . 12 LEU H 1 1 3 739 1 1 12 LEU HA H 9.552 -0.224 -3.085 1.00 . A A . 12 LEU HA 1 1 3 740 1 1 12 LEU HB2 H 7.772 -0.377 -5.028 1.00 . A A . 12 LEU HB2 1 1 3 741 1 1 12 LEU HB3 H 7.298 -0.193 -3.340 1.00 . A A . 12 LEU HB3 1 1 3 742 1 1 12 LEU HD11 H 5.018 1.855 -5.351 1.00 . A A . 12 LEU HD11 1 1 3 743 1 1 12 LEU HD12 H 5.501 0.162 -5.279 1.00 . A A . 12 LEU HD12 1 1 3 744 1 1 12 LEU HD13 H 6.188 1.221 -6.509 1.00 . A A . 12 LEU HD13 1 1 3 745 1 1 12 LEU HD21 H 6.164 1.445 -2.564 1.00 . A A . 12 LEU HD21 1 1 3 746 1 1 12 LEU HD22 H 5.551 2.779 -3.543 1.00 . A A . 12 LEU HD22 1 1 3 747 1 1 12 LEU HD23 H 7.182 2.852 -2.874 1.00 . A A . 12 LEU HD23 1 1 3 748 1 1 12 LEU HG H 7.614 2.237 -5.050 1.00 . A A . 12 LEU HG 1 1 3 749 1 1 12 LEU N N 9.388 1.832 -3.149 1.00 . A A . 12 LEU N 1 1 3 750 1 1 12 LEU O O 11.310 0.092 -4.938 1.00 . A A . 12 LEU O 1 1 3 751 1 1 13 PHE C C 10.834 2.071 -7.815 1.00 . A A . 13 PHE C 1 1 3 752 1 1 13 PHE CA C 10.295 0.692 -7.444 1.00 . A A . 13 PHE CA 1 1 3 753 1 1 13 PHE CB C 9.398 0.165 -8.567 1.00 . A A . 13 PHE CB 1 1 3 754 1 1 13 PHE CD1 C 7.726 -1.298 -7.400 1.00 . A A . 13 PHE CD1 1 1 3 755 1 1 13 PHE CD2 C 9.300 -2.324 -8.868 1.00 . A A . 13 PHE CD2 1 1 3 756 1 1 13 PHE CE1 C 7.169 -2.533 -7.127 1.00 . A A . 13 PHE CE1 1 1 3 757 1 1 13 PHE CE2 C 8.748 -3.562 -8.599 1.00 . A A . 13 PHE CE2 1 1 3 758 1 1 13 PHE CG C 8.795 -1.179 -8.273 1.00 . A A . 13 PHE CG 1 1 3 759 1 1 13 PHE CZ C 7.682 -3.667 -7.727 1.00 . A A . 13 PHE CZ 1 1 3 760 1 1 13 PHE H H 8.612 1.008 -6.198 1.00 . A A . 13 PHE H 1 1 3 761 1 1 13 PHE HA H 11.126 0.016 -7.313 1.00 . A A . 13 PHE HA 1 1 3 762 1 1 13 PHE HB2 H 8.589 0.862 -8.729 1.00 . A A . 13 PHE HB2 1 1 3 763 1 1 13 PHE HB3 H 9.979 0.079 -9.472 1.00 . A A . 13 PHE HB3 1 1 3 764 1 1 13 PHE HD1 H 7.324 -0.411 -6.930 1.00 . A A . 13 PHE HD1 1 1 3 765 1 1 13 PHE HD2 H 10.134 -2.244 -9.549 1.00 . A A . 13 PHE HD2 1 1 3 766 1 1 13 PHE HE1 H 6.336 -2.611 -6.444 1.00 . A A . 13 PHE HE1 1 1 3 767 1 1 13 PHE HE2 H 9.150 -4.447 -9.069 1.00 . A A . 13 PHE HE2 1 1 3 768 1 1 13 PHE HZ H 7.248 -4.633 -7.516 1.00 . A A . 13 PHE HZ 1 1 3 769 1 1 13 PHE N N 9.556 0.742 -6.189 1.00 . A A . 13 PHE N 1 1 3 770 1 1 13 PHE O O 11.877 2.494 -7.319 1.00 . A A . 13 PHE O 1 1 3 771 1 1 14 GLY C C 9.465 5.138 -8.884 1.00 . A A . 14 GLY C 1 1 3 772 1 1 14 GLY CA C 10.535 4.090 -9.111 1.00 . A A . 14 GLY CA 1 1 3 773 1 1 14 GLY H H 9.291 2.378 -9.052 1.00 . A A . 14 GLY H 1 1 3 774 1 1 14 GLY HA2 H 11.421 4.366 -8.558 1.00 . A A . 14 GLY HA2 1 1 3 775 1 1 14 GLY HA3 H 10.776 4.059 -10.164 1.00 . A A . 14 GLY HA3 1 1 3 776 1 1 14 GLY N N 10.114 2.766 -8.690 1.00 . A A . 14 GLY N 1 1 3 777 1 1 14 GLY O O 9.652 6.309 -9.219 1.00 . A A . 14 GLY O 1 1 3 778 1 1 15 LYS C C 7.478 6.413 -6.756 1.00 . A A . 15 LYS C 1 1 3 779 1 1 15 LYS CA C 7.236 5.632 -8.044 1.00 . A A . 15 LYS CA 1 1 3 780 1 1 15 LYS CB C 5.920 4.855 -7.941 1.00 . A A . 15 LYS CB 1 1 3 781 1 1 15 LYS CD C 5.922 2.482 -8.763 1.00 . A A . 15 LYS CD 1 1 3 782 1 1 15 LYS CE C 5.796 1.577 -9.980 1.00 . A A . 15 LYS CE 1 1 3 783 1 1 15 LYS CG C 5.664 3.936 -9.123 1.00 . A A . 15 LYS CG 1 1 3 784 1 1 15 LYS H H 8.252 3.774 -8.070 1.00 . A A . 15 LYS H 1 1 3 785 1 1 15 LYS HA H 7.169 6.327 -8.866 1.00 . A A . 15 LYS HA 1 1 3 786 1 1 15 LYS HB2 H 5.939 4.256 -7.043 1.00 . A A . 15 LYS HB2 1 1 3 787 1 1 15 LYS HB3 H 5.104 5.561 -7.877 1.00 . A A . 15 LYS HB3 1 1 3 788 1 1 15 LYS HD2 H 6.920 2.390 -8.363 1.00 . A A . 15 LYS HD2 1 1 3 789 1 1 15 LYS HD3 H 5.203 2.171 -8.018 1.00 . A A . 15 LYS HD3 1 1 3 790 1 1 15 LYS HE2 H 5.157 2.057 -10.704 1.00 . A A . 15 LYS HE2 1 1 3 791 1 1 15 LYS HE3 H 6.778 1.431 -10.406 1.00 . A A . 15 LYS HE3 1 1 3 792 1 1 15 LYS HG2 H 4.635 4.042 -9.432 1.00 . A A . 15 LYS HG2 1 1 3 793 1 1 15 LYS HG3 H 6.317 4.218 -9.935 1.00 . A A . 15 LYS HG3 1 1 3 794 1 1 15 LYS HZ1 H 4.993 0.217 -8.613 1.00 . A A . 15 LYS HZ1 1 1 3 795 1 1 15 LYS HZ2 H 5.901 -0.505 -9.845 1.00 . A A . 15 LYS HZ2 1 1 3 796 1 1 15 LYS HZ3 H 4.350 0.083 -10.172 1.00 . A A . 15 LYS HZ3 1 1 3 797 1 1 15 LYS N N 8.340 4.720 -8.315 1.00 . A A . 15 LYS N 1 1 3 798 1 1 15 LYS NZ N 5.220 0.251 -9.627 1.00 . A A . 15 LYS NZ 1 1 3 799 1 1 15 LYS O O 8.505 7.073 -6.603 1.00 . A A . 15 LYS O 1 1 3 800 1 1 16 GLY C C 6.585 6.105 -3.376 1.00 . A A . 16 GLY C 1 1 3 801 1 1 16 GLY CA C 6.656 7.037 -4.569 1.00 . A A . 16 GLY CA 1 1 3 802 1 1 16 GLY H H 5.728 5.792 -6.008 1.00 . A A . 16 GLY H 1 1 3 803 1 1 16 GLY HA2 H 7.605 7.553 -4.554 1.00 . A A . 16 GLY HA2 1 1 3 804 1 1 16 GLY HA3 H 5.861 7.763 -4.491 1.00 . A A . 16 GLY HA3 1 1 3 805 1 1 16 GLY N N 6.525 6.333 -5.832 1.00 . A A . 16 GLY N 1 1 3 806 1 1 16 GLY O O 7.608 5.766 -2.782 1.00 . A A . 16 GLY O 1 1 3 807 1 1 17 GLY C C 4.467 5.459 -0.739 1.00 . A A . 17 GLY C 1 1 3 808 1 1 17 GLY CA C 5.194 4.795 -1.893 1.00 . A A . 17 GLY CA 1 1 3 809 1 1 17 GLY H H 4.592 5.991 -3.534 1.00 . A A . 17 GLY H 1 1 3 810 1 1 17 GLY HA2 H 4.627 3.935 -2.215 1.00 . A A . 17 GLY HA2 1 1 3 811 1 1 17 GLY HA3 H 6.164 4.468 -1.552 1.00 . A A . 17 GLY HA3 1 1 3 812 1 1 17 GLY N N 5.372 5.689 -3.022 1.00 . A A . 17 GLY N 1 1 3 813 1 1 17 GLY O O 4.005 4.784 0.181 1.00 . A A . 17 GLY O 1 1 4 814 1 1 1 PTL C1 C 3.003 -1.022 -1.248 1.00 . A A . 1 PTL C1 1 1 4 815 1 1 1 PTL C2 C 2.323 0.323 -1.012 1.00 . A A . 1 PTL C2 1 1 4 816 1 1 1 PTL C3 C 3.375 1.429 -0.909 1.00 . A A . 1 PTL C3 1 1 4 817 1 1 1 PTL C4 C 2.785 2.809 -0.674 1.00 . A A . 1 PTL C4 1 1 4 818 1 1 1 PTL C5 C 2.697 3.162 0.781 1.00 . A A . 1 PTL C5 1 1 4 819 1 1 1 PTL H21 H 1.761 0.288 -0.079 1.00 . A A . 1 PTL H21 1 1 4 820 1 1 1 PTL H22 H 1.672 0.536 -1.847 1.00 . A A . 1 PTL H22 1 1 4 821 1 1 1 PTL H31 H 4.039 1.201 -0.088 1.00 . A A . 1 PTL H31 1 1 4 822 1 1 1 PTL H32 H 3.944 1.455 -1.826 1.00 . A A . 1 PTL H32 1 1 4 823 1 1 1 PTL H41 H 3.406 3.542 -1.169 1.00 . A A . 1 PTL H41 1 1 4 824 1 1 1 PTL H42 H 1.792 2.838 -1.098 1.00 . A A . 1 PTL H42 1 1 4 825 1 1 1 PTL H51 H 2.129 4.084 0.898 1.00 . A A . 1 PTL H51 1 1 4 826 1 1 1 PTL H52 H 2.199 2.357 1.321 1.00 . A A . 1 PTL H52 1 1 4 827 1 1 1 PTL H53 H 3.701 3.300 1.182 1.00 . A A . 1 PTL H53 1 1 4 828 1 1 1 PTL O1 O 3.061 -1.864 -0.352 1.00 . A A . 1 PTL O1 1 1 4 829 1 1 2 VAL C C 5.577 -2.529 -2.182 1.00 . A A . 2 VAL C 1 1 4 830 1 1 2 VAL CA C 4.190 -2.460 -2.813 1.00 . A A . 2 VAL CA 1 1 4 831 1 1 2 VAL CB C 4.325 -2.612 -4.339 1.00 . A A . 2 VAL CB 1 1 4 832 1 1 2 VAL CG1 C 4.945 -3.955 -4.690 1.00 . A A . 2 VAL CG1 1 1 4 833 1 1 2 VAL CG2 C 2.970 -2.450 -5.012 1.00 . A A . 2 VAL CG2 1 1 4 834 1 1 2 VAL H H 3.435 -0.508 -3.132 1.00 . A A . 2 VAL H 1 1 4 835 1 1 2 VAL HA H 3.595 -3.281 -2.441 1.00 . A A . 2 VAL HA 1 1 4 836 1 1 2 VAL HB H 4.979 -1.833 -4.703 1.00 . A A . 2 VAL HB 1 1 4 837 1 1 2 VAL HG11 H 4.506 -4.327 -5.604 1.00 . A A . 2 VAL HG11 1 1 4 838 1 1 2 VAL HG12 H 6.011 -3.837 -4.823 1.00 . A A . 2 VAL HG12 1 1 4 839 1 1 2 VAL HG13 H 4.758 -4.658 -3.891 1.00 . A A . 2 VAL HG13 1 1 4 840 1 1 2 VAL HG21 H 2.596 -1.452 -4.833 1.00 . A A . 2 VAL HG21 1 1 4 841 1 1 2 VAL HG22 H 3.074 -2.611 -6.074 1.00 . A A . 2 VAL HG22 1 1 4 842 1 1 2 VAL HG23 H 2.276 -3.171 -4.604 1.00 . A A . 2 VAL HG23 1 1 4 843 1 1 2 VAL N N 3.514 -1.217 -2.460 1.00 . A A . 2 VAL N 1 1 4 844 1 1 2 VAL O O 6.204 -3.586 -2.152 1.00 . A A . 2 VAL O 1 1 4 845 1 1 3 ALA C C 7.410 -2.191 0.209 1.00 . A A . 3 ALA C 1 1 4 846 1 1 3 ALA CA C 7.360 -1.325 -1.046 1.00 . A A . 3 ALA CA 1 1 4 847 1 1 3 ALA CB C 7.710 0.117 -0.708 1.00 . A A . 3 ALA CB 1 1 4 848 1 1 3 ALA H H 5.502 -0.583 -1.732 1.00 . A A . 3 ALA H 1 1 4 849 1 1 3 ALA HA H 8.091 -1.690 -1.752 1.00 . A A . 3 ALA HA 1 1 4 850 1 1 3 ALA HB1 H 6.894 0.566 -0.162 1.00 . A A . 3 ALA HB1 1 1 4 851 1 1 3 ALA HB2 H 8.603 0.137 -0.102 1.00 . A A . 3 ALA HB2 1 1 4 852 1 1 3 ALA HB3 H 7.881 0.668 -1.621 1.00 . A A . 3 ALA HB3 1 1 4 853 1 1 3 ALA N N 6.049 -1.393 -1.678 1.00 . A A . 3 ALA N 1 1 4 854 1 1 3 ALA O O 8.486 -2.479 0.733 1.00 . A A . 3 ALA O 1 1 4 855 1 1 4 ARG C C 6.973 -4.709 1.716 1.00 . A A . 4 ARG C 1 1 4 856 1 1 4 ARG CA C 6.151 -3.434 1.879 1.00 . A A . 4 ARG CA 1 1 4 857 1 1 4 ARG CB C 4.692 -3.790 2.172 1.00 . A A . 4 ARG CB 1 1 4 858 1 1 4 ARG CD C 5.044 -3.841 4.660 1.00 . A A . 4 ARG CD 1 1 4 859 1 1 4 ARG CG C 4.505 -4.590 3.451 1.00 . A A . 4 ARG CG 1 1 4 860 1 1 4 ARG CZ C 4.175 -2.916 6.765 1.00 . A A . 4 ARG CZ 1 1 4 861 1 1 4 ARG H H 5.416 -2.341 0.223 1.00 . A A . 4 ARG H 1 1 4 862 1 1 4 ARG HA H 6.548 -2.867 2.708 1.00 . A A . 4 ARG HA 1 1 4 863 1 1 4 ARG HB2 H 4.122 -2.876 2.257 1.00 . A A . 4 ARG HB2 1 1 4 864 1 1 4 ARG HB3 H 4.304 -4.372 1.349 1.00 . A A . 4 ARG HB3 1 1 4 865 1 1 4 ARG HD2 H 5.906 -4.370 5.038 1.00 . A A . 4 ARG HD2 1 1 4 866 1 1 4 ARG HD3 H 5.338 -2.849 4.350 1.00 . A A . 4 ARG HD3 1 1 4 867 1 1 4 ARG HE H 3.251 -4.294 5.658 1.00 . A A . 4 ARG HE 1 1 4 868 1 1 4 ARG HG2 H 3.450 -4.775 3.597 1.00 . A A . 4 ARG HG2 1 1 4 869 1 1 4 ARG HG3 H 5.027 -5.529 3.356 1.00 . A A . 4 ARG HG3 1 1 4 870 1 1 4 ARG HH11 H 5.961 -2.172 6.182 1.00 . A A . 4 ARG HH11 1 1 4 871 1 1 4 ARG HH12 H 5.337 -1.528 7.664 1.00 . A A . 4 ARG HH12 1 1 4 872 1 1 4 ARG HH21 H 3.323 -2.258 8.476 1.00 . A A . 4 ARG HH21 1 1 4 873 1 1 4 ARG HH22 H 2.419 -3.453 7.609 1.00 . A A . 4 ARG HH22 1 1 4 874 1 1 4 ARG N N 6.240 -2.603 0.685 1.00 . A A . 4 ARG N 1 1 4 875 1 1 4 ARG NE N 4.051 -3.731 5.723 1.00 . A A . 4 ARG NE 1 1 4 876 1 1 4 ARG NH1 N 5.246 -2.142 6.880 1.00 . A A . 4 ARG NH1 1 1 4 877 1 1 4 ARG NH2 N 3.228 -2.872 7.693 1.00 . A A . 4 ARG NH2 1 1 4 878 1 1 4 ARG O O 7.793 -5.044 2.571 1.00 . A A . 4 ARG O 1 1 4 879 1 1 5 GLY C C 8.234 -6.611 -0.952 1.00 . A A . 5 GLY C 1 1 4 880 1 1 5 GLY CA C 7.474 -6.647 0.359 1.00 . A A . 5 GLY CA 1 1 4 881 1 1 5 GLY H H 6.081 -5.102 -0.032 1.00 . A A . 5 GLY H 1 1 4 882 1 1 5 GLY HA2 H 8.174 -6.812 1.165 1.00 . A A . 5 GLY HA2 1 1 4 883 1 1 5 GLY HA3 H 6.772 -7.468 0.333 1.00 . A A . 5 GLY HA3 1 1 4 884 1 1 5 GLY N N 6.747 -5.417 0.614 1.00 . A A . 5 GLY N 1 1 4 885 1 1 5 GLY O O 8.319 -7.618 -1.654 1.00 . A A . 5 GLY O 1 1 4 886 1 1 6 TRP C C 10.971 -4.849 -2.230 1.00 . A A . 6 TRP C 1 1 4 887 1 1 6 TRP CA C 9.539 -5.286 -2.519 1.00 . A A . 6 TRP CA 1 1 4 888 1 1 6 TRP CB C 8.855 -4.264 -3.428 1.00 . A A . 6 TRP CB 1 1 4 889 1 1 6 TRP CD1 C 9.718 -2.605 -5.181 1.00 . A A . 6 TRP CD1 1 1 4 890 1 1 6 TRP CD2 C 10.665 -4.631 -5.286 1.00 . A A . 6 TRP CD2 1 1 4 891 1 1 6 TRP CE2 C 11.221 -3.822 -6.295 1.00 . A A . 6 TRP CE2 1 1 4 892 1 1 6 TRP CE3 C 11.108 -5.950 -5.159 1.00 . A A . 6 TRP CE3 1 1 4 893 1 1 6 TRP CG C 9.705 -3.834 -4.585 1.00 . A A . 6 TRP CG 1 1 4 894 1 1 6 TRP CH2 C 12.615 -5.585 -7.023 1.00 . A A . 6 TRP CH2 1 1 4 895 1 1 6 TRP CZ2 C 12.198 -4.291 -7.171 1.00 . A A . 6 TRP CZ2 1 1 4 896 1 1 6 TRP CZ3 C 12.078 -6.414 -6.028 1.00 . A A . 6 TRP CZ3 1 1 4 897 1 1 6 TRP H H 8.681 -4.682 -0.681 1.00 . A A . 6 TRP H 1 1 4 898 1 1 6 TRP HA H 9.562 -6.242 -3.021 1.00 . A A . 6 TRP HA 1 1 4 899 1 1 6 TRP HB2 H 7.947 -4.694 -3.823 1.00 . A A . 6 TRP HB2 1 1 4 900 1 1 6 TRP HB3 H 8.610 -3.386 -2.849 1.00 . A A . 6 TRP HB3 1 1 4 901 1 1 6 TRP HD1 H 9.096 -1.776 -4.877 1.00 . A A . 6 TRP HD1 1 1 4 902 1 1 6 TRP HE1 H 10.819 -1.824 -6.789 1.00 . A A . 6 TRP HE1 1 1 4 903 1 1 6 TRP HE3 H 10.707 -6.605 -4.399 1.00 . A A . 6 TRP HE3 1 1 4 904 1 1 6 TRP HH2 H 13.369 -5.989 -7.680 1.00 . A A . 6 TRP HH2 1 1 4 905 1 1 6 TRP HZ2 H 12.623 -3.664 -7.941 1.00 . A A . 6 TRP HZ2 1 1 4 906 1 1 6 TRP HZ3 H 12.434 -7.430 -5.945 1.00 . A A . 6 TRP HZ3 1 1 4 907 1 1 6 TRP N N 8.785 -5.449 -1.282 1.00 . A A . 6 TRP N 1 1 4 908 1 1 6 TRP NE1 N 10.627 -2.591 -6.210 1.00 . A A . 6 TRP NE1 1 1 4 909 1 1 6 TRP O O 11.904 -5.649 -2.308 1.00 . A A . 6 TRP O 1 1 4 910 1 1 7 LYS C C 12.626 -2.816 -0.091 1.00 . A A . 7 LYS C 1 1 4 911 1 1 7 LYS CA C 12.458 -3.030 -1.592 1.00 . A A . 7 LYS CA 1 1 4 912 1 1 7 LYS CB C 12.669 -1.707 -2.334 1.00 . A A . 7 LYS CB 1 1 4 913 1 1 7 LYS CD C 14.170 -2.813 -4.018 1.00 . A A . 7 LYS CD 1 1 4 914 1 1 7 LYS CE C 14.741 -2.682 -5.422 1.00 . A A . 7 LYS CE 1 1 4 915 1 1 7 LYS CG C 12.987 -1.882 -3.809 1.00 . A A . 7 LYS CG 1 1 4 916 1 1 7 LYS H H 10.357 -2.984 -1.850 1.00 . A A . 7 LYS H 1 1 4 917 1 1 7 LYS HA H 13.196 -3.742 -1.926 1.00 . A A . 7 LYS HA 1 1 4 918 1 1 7 LYS HB2 H 11.772 -1.113 -2.248 1.00 . A A . 7 LYS HB2 1 1 4 919 1 1 7 LYS HB3 H 13.489 -1.176 -1.870 1.00 . A A . 7 LYS HB3 1 1 4 920 1 1 7 LYS HD2 H 14.942 -2.567 -3.303 1.00 . A A . 7 LYS HD2 1 1 4 921 1 1 7 LYS HD3 H 13.845 -3.832 -3.863 1.00 . A A . 7 LYS HD3 1 1 4 922 1 1 7 LYS HE2 H 15.291 -3.580 -5.657 1.00 . A A . 7 LYS HE2 1 1 4 923 1 1 7 LYS HE3 H 13.924 -2.568 -6.119 1.00 . A A . 7 LYS HE3 1 1 4 924 1 1 7 LYS HG2 H 12.124 -2.296 -4.308 1.00 . A A . 7 LYS HG2 1 1 4 925 1 1 7 LYS HG3 H 13.222 -0.915 -4.233 1.00 . A A . 7 LYS HG3 1 1 4 926 1 1 7 LYS HZ1 H 16.568 -1.721 -5.103 1.00 . A A . 7 LYS HZ1 1 1 4 927 1 1 7 LYS HZ2 H 15.232 -0.683 -5.069 1.00 . A A . 7 LYS HZ2 1 1 4 928 1 1 7 LYS HZ3 H 15.802 -1.279 -6.546 1.00 . A A . 7 LYS HZ3 1 1 4 929 1 1 7 LYS N N 11.140 -3.574 -1.895 1.00 . A A . 7 LYS N 1 1 4 930 1 1 7 LYS NZ N 15.649 -1.509 -5.544 1.00 . A A . 7 LYS NZ 1 1 4 931 1 1 7 LYS O O 13.132 -3.687 0.617 1.00 . A A . 7 LYS O 1 1 4 932 1 1 8 ARG C C 10.920 -1.263 2.451 1.00 . A A . 8 ARG C 1 1 4 933 1 1 8 ARG CA C 12.301 -1.324 1.805 1.00 . A A . 8 ARG CA 1 1 4 934 1 1 8 ARG CB C 13.022 0.012 1.989 1.00 . A A . 8 ARG CB 1 1 4 935 1 1 8 ARG CD C 15.263 -1.006 2.496 1.00 . A A . 8 ARG CD 1 1 4 936 1 1 8 ARG CG C 14.494 -0.033 1.616 1.00 . A A . 8 ARG CG 1 1 4 937 1 1 8 ARG CZ C 17.182 -0.936 4.031 1.00 . A A . 8 ARG CZ 1 1 4 938 1 1 8 ARG H H 11.803 -0.998 -0.226 1.00 . A A . 8 ARG H 1 1 4 939 1 1 8 ARG HA H 12.876 -2.102 2.284 1.00 . A A . 8 ARG HA 1 1 4 940 1 1 8 ARG HB2 H 12.539 0.756 1.372 1.00 . A A . 8 ARG HB2 1 1 4 941 1 1 8 ARG HB3 H 12.944 0.309 3.025 1.00 . A A . 8 ARG HB3 1 1 4 942 1 1 8 ARG HD2 H 14.632 -1.299 3.322 1.00 . A A . 8 ARG HD2 1 1 4 943 1 1 8 ARG HD3 H 15.518 -1.876 1.911 1.00 . A A . 8 ARG HD3 1 1 4 944 1 1 8 ARG HE H 16.810 0.412 2.610 1.00 . A A . 8 ARG HE 1 1 4 945 1 1 8 ARG HG2 H 14.586 -0.346 0.586 1.00 . A A . 8 ARG HG2 1 1 4 946 1 1 8 ARG HG3 H 14.916 0.954 1.732 1.00 . A A . 8 ARG HG3 1 1 4 947 1 1 8 ARG HH11 H 15.940 -2.507 4.295 1.00 . A A . 8 ARG HH11 1 1 4 948 1 1 8 ARG HH12 H 17.297 -2.446 5.369 1.00 . A A . 8 ARG HH12 1 1 4 949 1 1 8 ARG HH21 H 18.809 -0.733 5.213 1.00 . A A . 8 ARG HH21 1 1 4 950 1 1 8 ARG HH22 H 18.600 0.504 4.019 1.00 . A A . 8 ARG HH22 1 1 4 951 1 1 8 ARG N N 12.198 -1.652 0.388 1.00 . A A . 8 ARG N 1 1 4 952 1 1 8 ARG NE N 16.489 -0.415 3.025 1.00 . A A . 8 ARG NE 1 1 4 953 1 1 8 ARG NH1 N 16.773 -2.055 4.613 1.00 . A A . 8 ARG NH1 1 1 4 954 1 1 8 ARG NH2 N 18.289 -0.340 4.456 1.00 . A A . 8 ARG NH2 1 1 4 955 1 1 8 ARG O O 10.253 -2.286 2.614 1.00 . A A . 8 ARG O 1 1 4 956 1 1 9 LYS C C 8.345 1.114 2.640 1.00 . A A . 9 LYS C 1 1 4 957 1 1 9 LYS CA C 9.195 0.137 3.445 1.00 . A A . 9 LYS CA 1 1 4 958 1 1 9 LYS CB C 9.368 0.653 4.875 1.00 . A A . 9 LYS CB 1 1 4 959 1 1 9 LYS CD C 11.337 0.009 6.297 1.00 . A A . 9 LYS CD 1 1 4 960 1 1 9 LYS CE C 12.240 -1.208 6.429 1.00 . A A . 9 LYS CE 1 1 4 961 1 1 9 LYS CG C 9.944 -0.379 5.829 1.00 . A A . 9 LYS CG 1 1 4 962 1 1 9 LYS H H 11.073 0.719 2.661 1.00 . A A . 9 LYS H 1 1 4 963 1 1 9 LYS HA H 8.694 -0.819 3.475 1.00 . A A . 9 LYS HA 1 1 4 964 1 1 9 LYS HB2 H 10.030 1.507 4.859 1.00 . A A . 9 LYS HB2 1 1 4 965 1 1 9 LYS HB3 H 8.404 0.963 5.252 1.00 . A A . 9 LYS HB3 1 1 4 966 1 1 9 LYS HD2 H 11.771 0.689 5.579 1.00 . A A . 9 LYS HD2 1 1 4 967 1 1 9 LYS HD3 H 11.261 0.497 7.258 1.00 . A A . 9 LYS HD3 1 1 4 968 1 1 9 LYS HE2 H 11.629 -2.098 6.395 1.00 . A A . 9 LYS HE2 1 1 4 969 1 1 9 LYS HE3 H 12.934 -1.216 5.603 1.00 . A A . 9 LYS HE3 1 1 4 970 1 1 9 LYS HG2 H 9.297 -0.462 6.689 1.00 . A A . 9 LYS HG2 1 1 4 971 1 1 9 LYS HG3 H 9.997 -1.333 5.323 1.00 . A A . 9 LYS HG3 1 1 4 972 1 1 9 LYS HZ1 H 12.685 -1.967 8.324 1.00 . A A . 9 LYS HZ1 1 1 4 973 1 1 9 LYS HZ2 H 12.862 -0.288 8.199 1.00 . A A . 9 LYS HZ2 1 1 4 974 1 1 9 LYS HZ3 H 14.020 -1.314 7.516 1.00 . A A . 9 LYS HZ3 1 1 4 975 1 1 9 LYS N N 10.497 -0.058 2.817 1.00 . A A . 9 LYS N 1 1 4 976 1 1 9 LYS NZ N 13.005 -1.194 7.707 1.00 . A A . 9 LYS NZ 1 1 4 977 1 1 9 LYS O O 7.327 0.734 2.060 1.00 . A A . 9 LYS O 1 1 4 978 1 1 10 CYS C C 8.307 3.290 0.375 1.00 . A A . 10 CYS C 1 1 4 979 1 1 10 CYS CA C 8.044 3.405 1.873 1.00 . A A . 10 CYS CA 1 1 4 980 1 1 10 CYS CB C 8.451 4.793 2.369 1.00 . A A . 10 CYS CB 1 1 4 981 1 1 10 CYS H H 9.586 2.615 3.090 1.00 . A A . 10 CYS H 1 1 4 982 1 1 10 CYS HA H 6.990 3.262 2.054 1.00 . A A . 10 CYS HA 1 1 4 983 1 1 10 CYS HB2 H 9.370 4.711 2.932 1.00 . A A . 10 CYS HB2 1 1 4 984 1 1 10 CYS HB3 H 8.614 5.437 1.519 1.00 . A A . 10 CYS HB3 1 1 4 985 1 1 10 CYS HG H 6.586 6.496 2.718 1.00 . A A . 10 CYS HG 1 1 4 986 1 1 10 CYS N N 8.768 2.372 2.608 1.00 . A A . 10 CYS N 1 1 4 987 1 1 10 CYS O O 7.402 3.036 -0.421 1.00 . A A . 10 CYS O 1 1 4 988 1 1 10 CYS SG S 7.223 5.584 3.436 1.00 . A A . 10 CYS SG 1 1 4 989 1 1 11 PRO C C 9.927 1.983 -1.971 1.00 . A A . 11 PRO C 1 1 4 990 1 1 11 PRO CA C 9.985 3.406 -1.426 1.00 . A A . 11 PRO CA 1 1 4 991 1 1 11 PRO CB C 11.429 3.912 -1.401 1.00 . A A . 11 PRO CB 1 1 4 992 1 1 11 PRO CD C 10.703 3.788 0.873 1.00 . A A . 11 PRO CD 1 1 4 993 1 1 11 PRO CG C 11.905 3.632 -0.017 1.00 . A A . 11 PRO CG 1 1 4 994 1 1 11 PRO HA H 9.385 4.054 -2.050 1.00 . A A . 11 PRO HA 1 1 4 995 1 1 11 PRO HB2 H 12.014 3.377 -2.136 1.00 . A A . 11 PRO HB2 1 1 4 996 1 1 11 PRO HB3 H 11.448 4.969 -1.619 1.00 . A A . 11 PRO HB3 1 1 4 997 1 1 11 PRO HD2 H 10.748 3.087 1.693 1.00 . A A . 11 PRO HD2 1 1 4 998 1 1 11 PRO HD3 H 10.638 4.801 1.244 1.00 . A A . 11 PRO HD3 1 1 4 999 1 1 11 PRO HG2 H 12.287 2.624 0.043 1.00 . A A . 11 PRO HG2 1 1 4 1000 1 1 11 PRO HG3 H 12.670 4.342 0.258 1.00 . A A . 11 PRO HG3 1 1 4 1001 1 1 11 PRO N N 9.573 3.483 -0.021 1.00 . A A . 11 PRO N 1 1 4 1002 1 1 11 PRO O O 10.373 1.039 -1.316 1.00 . A A . 11 PRO O 1 1 4 1003 1 1 12 LEU C C 10.131 0.449 -5.056 1.00 . A A . 12 LEU C 1 1 4 1004 1 1 12 LEU CA C 9.262 0.527 -3.805 1.00 . A A . 12 LEU CA 1 1 4 1005 1 1 12 LEU CB C 7.804 0.238 -4.163 1.00 . A A . 12 LEU CB 1 1 4 1006 1 1 12 LEU CD1 C 5.836 1.092 -5.461 1.00 . A A . 12 LEU CD1 1 1 4 1007 1 1 12 LEU CD2 C 6.340 2.031 -3.198 1.00 . A A . 12 LEU CD2 1 1 4 1008 1 1 12 LEU CG C 6.936 1.458 -4.476 1.00 . A A . 12 LEU CG 1 1 4 1009 1 1 12 LEU H H 9.040 2.625 -3.643 1.00 . A A . 12 LEU H 1 1 4 1010 1 1 12 LEU HA H 9.604 -0.214 -3.098 1.00 . A A . 12 LEU HA 1 1 4 1011 1 1 12 LEU HB2 H 7.798 -0.403 -5.030 1.00 . A A . 12 LEU HB2 1 1 4 1012 1 1 12 LEU HB3 H 7.357 -0.283 -3.329 1.00 . A A . 12 LEU HB3 1 1 4 1013 1 1 12 LEU HD11 H 6.202 1.212 -6.469 1.00 . A A . 12 LEU HD11 1 1 4 1014 1 1 12 LEU HD12 H 4.985 1.739 -5.306 1.00 . A A . 12 LEU HD12 1 1 4 1015 1 1 12 LEU HD13 H 5.541 0.064 -5.304 1.00 . A A . 12 LEU HD13 1 1 4 1016 1 1 12 LEU HD21 H 5.580 2.755 -3.448 1.00 . A A . 12 LEU HD21 1 1 4 1017 1 1 12 LEU HD22 H 7.119 2.509 -2.622 1.00 . A A . 12 LEU HD22 1 1 4 1018 1 1 12 LEU HD23 H 5.902 1.232 -2.616 1.00 . A A . 12 LEU HD23 1 1 4 1019 1 1 12 LEU HG H 7.550 2.222 -4.932 1.00 . A A . 12 LEU HG 1 1 4 1020 1 1 12 LEU N N 9.378 1.836 -3.171 1.00 . A A . 12 LEU N 1 1 4 1021 1 1 12 LEU O O 11.319 0.134 -4.982 1.00 . A A . 12 LEU O 1 1 4 1022 1 1 13 PHE C C 10.754 2.096 -7.851 1.00 . A A . 13 PHE C 1 1 4 1023 1 1 13 PHE CA C 10.249 0.706 -7.474 1.00 . A A . 13 PHE CA 1 1 4 1024 1 1 13 PHE CB C 9.346 0.161 -8.581 1.00 . A A . 13 PHE CB 1 1 4 1025 1 1 13 PHE CD1 C 7.713 -1.325 -7.387 1.00 . A A . 13 PHE CD1 1 1 4 1026 1 1 13 PHE CD2 C 9.287 -2.331 -8.869 1.00 . A A . 13 PHE CD2 1 1 4 1027 1 1 13 PHE CE1 C 7.181 -2.568 -7.102 1.00 . A A . 13 PHE CE1 1 1 4 1028 1 1 13 PHE CE2 C 8.758 -3.577 -8.589 1.00 . A A . 13 PHE CE2 1 1 4 1029 1 1 13 PHE CG C 8.770 -1.192 -8.273 1.00 . A A . 13 PHE CG 1 1 4 1030 1 1 13 PHE CZ C 7.705 -3.696 -7.703 1.00 . A A . 13 PHE CZ 1 1 4 1031 1 1 13 PHE H H 8.581 0.985 -6.200 1.00 . A A . 13 PHE H 1 1 4 1032 1 1 13 PHE HA H 11.097 0.049 -7.355 1.00 . A A . 13 PHE HA 1 1 4 1033 1 1 13 PHE HB2 H 8.524 0.844 -8.734 1.00 . A A . 13 PHE HB2 1 1 4 1034 1 1 13 PHE HB3 H 9.916 0.081 -9.494 1.00 . A A . 13 PHE HB3 1 1 4 1035 1 1 13 PHE HD1 H 7.302 -0.442 -6.917 1.00 . A A . 13 PHE HD1 1 1 4 1036 1 1 13 PHE HD2 H 10.112 -2.240 -9.561 1.00 . A A . 13 PHE HD2 1 1 4 1037 1 1 13 PHE HE1 H 6.358 -2.657 -6.410 1.00 . A A . 13 PHE HE1 1 1 4 1038 1 1 13 PHE HE2 H 9.171 -4.457 -9.059 1.00 . A A . 13 PHE HE2 1 1 4 1039 1 1 13 PHE HZ H 7.291 -4.668 -7.482 1.00 . A A . 13 PHE HZ 1 1 4 1040 1 1 13 PHE N N 9.531 0.742 -6.205 1.00 . A A . 13 PHE N 1 1 4 1041 1 1 13 PHE O O 11.669 2.628 -7.225 1.00 . A A . 13 PHE O 1 1 4 1042 1 1 14 GLY C C 9.406 4.996 -9.294 1.00 . A A . 14 GLY C 1 1 4 1043 1 1 14 GLY CA C 10.550 4.001 -9.327 1.00 . A A . 14 GLY CA 1 1 4 1044 1 1 14 GLY H H 9.424 2.207 -9.344 1.00 . A A . 14 GLY H 1 1 4 1045 1 1 14 GLY HA2 H 11.343 4.358 -8.689 1.00 . A A . 14 GLY HA2 1 1 4 1046 1 1 14 GLY HA3 H 10.920 3.930 -10.339 1.00 . A A . 14 GLY HA3 1 1 4 1047 1 1 14 GLY N N 10.149 2.679 -8.882 1.00 . A A . 14 GLY N 1 1 4 1048 1 1 14 GLY O O 9.628 6.206 -9.279 1.00 . A A . 14 GLY O 1 1 4 1049 1 1 15 LYS C C 7.042 6.288 -8.059 1.00 . A A . 15 LYS C 1 1 4 1050 1 1 15 LYS CA C 6.997 5.335 -9.250 1.00 . A A . 15 LYS CA 1 1 4 1051 1 1 15 LYS CB C 5.729 4.480 -9.184 1.00 . A A . 15 LYS CB 1 1 4 1052 1 1 15 LYS CD C 6.078 1.996 -9.321 1.00 . A A . 15 LYS CD 1 1 4 1053 1 1 15 LYS CE C 4.755 1.581 -9.949 1.00 . A A . 15 LYS CE 1 1 4 1054 1 1 15 LYS CG C 5.906 3.191 -8.399 1.00 . A A . 15 LYS CG 1 1 4 1055 1 1 15 LYS H H 8.068 3.510 -9.294 1.00 . A A . 15 LYS H 1 1 4 1056 1 1 15 LYS HA H 6.981 5.917 -10.160 1.00 . A A . 15 LYS HA 1 1 4 1057 1 1 15 LYS HB2 H 4.945 5.056 -8.717 1.00 . A A . 15 LYS HB2 1 1 4 1058 1 1 15 LYS HB3 H 5.428 4.225 -10.190 1.00 . A A . 15 LYS HB3 1 1 4 1059 1 1 15 LYS HD2 H 6.770 2.256 -10.108 1.00 . A A . 15 LYS HD2 1 1 4 1060 1 1 15 LYS HD3 H 6.471 1.166 -8.751 1.00 . A A . 15 LYS HD3 1 1 4 1061 1 1 15 LYS HE2 H 3.957 1.812 -9.260 1.00 . A A . 15 LYS HE2 1 1 4 1062 1 1 15 LYS HE3 H 4.615 2.141 -10.862 1.00 . A A . 15 LYS HE3 1 1 4 1063 1 1 15 LYS HG2 H 6.782 3.278 -7.774 1.00 . A A . 15 LYS HG2 1 1 4 1064 1 1 15 LYS HG3 H 5.033 3.035 -7.780 1.00 . A A . 15 LYS HG3 1 1 4 1065 1 1 15 LYS HZ1 H 4.534 -0.421 -9.397 1.00 . A A . 15 LYS HZ1 1 1 4 1066 1 1 15 LYS HZ2 H 5.634 -0.176 -10.659 1.00 . A A . 15 LYS HZ2 1 1 4 1067 1 1 15 LYS HZ3 H 3.972 -0.073 -10.953 1.00 . A A . 15 LYS HZ3 1 1 4 1068 1 1 15 LYS N N 8.180 4.485 -9.282 1.00 . A A . 15 LYS N 1 1 4 1069 1 1 15 LYS NZ N 4.721 0.126 -10.261 1.00 . A A . 15 LYS NZ 1 1 4 1070 1 1 15 LYS O O 7.624 7.368 -8.139 1.00 . A A . 15 LYS O 1 1 4 1071 1 1 16 GLY C C 7.004 5.999 -4.559 1.00 . A A . 16 GLY C 1 1 4 1072 1 1 16 GLY CA C 6.411 6.705 -5.762 1.00 . A A . 16 GLY CA 1 1 4 1073 1 1 16 GLY H H 5.979 5.005 -6.949 1.00 . A A . 16 GLY H 1 1 4 1074 1 1 16 GLY HA2 H 6.977 7.604 -5.954 1.00 . A A . 16 GLY HA2 1 1 4 1075 1 1 16 GLY HA3 H 5.389 6.975 -5.540 1.00 . A A . 16 GLY HA3 1 1 4 1076 1 1 16 GLY N N 6.427 5.877 -6.955 1.00 . A A . 16 GLY N 1 1 4 1077 1 1 16 GLY O O 8.202 5.724 -4.519 1.00 . A A . 16 GLY O 1 1 4 1078 1 1 17 GLY C C 6.889 5.995 -1.233 1.00 . A A . 17 GLY C 1 1 4 1079 1 1 17 GLY CA C 6.628 5.033 -2.374 1.00 . A A . 17 GLY CA 1 1 4 1080 1 1 17 GLY H H 5.215 5.950 -3.659 1.00 . A A . 17 GLY H 1 1 4 1081 1 1 17 GLY HA2 H 5.882 4.317 -2.064 1.00 . A A . 17 GLY HA2 1 1 4 1082 1 1 17 GLY HA3 H 7.543 4.507 -2.603 1.00 . A A . 17 GLY HA3 1 1 4 1083 1 1 17 GLY N N 6.162 5.706 -3.573 1.00 . A A . 17 GLY N 1 1 4 1084 1 1 17 GLY O O 6.537 7.172 -1.311 1.00 . A A . 17 GLY O 1 1 5 1085 1 1 1 PTL C1 C 2.771 -1.582 -0.609 1.00 . A A . 1 PTL C1 1 1 5 1086 1 1 1 PTL C2 C 2.043 -0.373 -0.031 1.00 . A A . 1 PTL C2 1 1 5 1087 1 1 1 PTL C3 C 3.056 0.706 0.363 1.00 . A A . 1 PTL C3 1 1 5 1088 1 1 1 PTL C4 C 3.870 0.350 1.596 1.00 . A A . 1 PTL C4 1 1 5 1089 1 1 1 PTL C5 C 4.688 1.504 2.099 1.00 . A A . 1 PTL C5 1 1 5 1090 1 1 1 PTL H21 H 1.489 -0.673 0.859 1.00 . A A . 1 PTL H21 1 1 5 1091 1 1 1 PTL H22 H 1.380 0.027 -0.783 1.00 . A A . 1 PTL H22 1 1 5 1092 1 1 1 PTL H31 H 3.736 0.861 -0.460 1.00 . A A . 1 PTL H31 1 1 5 1093 1 1 1 PTL H32 H 2.525 1.625 0.561 1.00 . A A . 1 PTL H32 1 1 5 1094 1 1 1 PTL H41 H 3.197 0.038 2.380 1.00 . A A . 1 PTL H41 1 1 5 1095 1 1 1 PTL H42 H 4.536 -0.464 1.348 1.00 . A A . 1 PTL H42 1 1 5 1096 1 1 1 PTL H51 H 5.143 2.022 1.255 1.00 . A A . 1 PTL H51 1 1 5 1097 1 1 1 PTL H52 H 4.046 2.194 2.646 1.00 . A A . 1 PTL H52 1 1 5 1098 1 1 1 PTL H53 H 5.469 1.134 2.763 1.00 . A A . 1 PTL H53 1 1 5 1099 1 1 1 PTL O1 O 2.656 -2.694 -0.093 1.00 . A A . 1 PTL O1 1 1 5 1100 1 1 2 VAL C C 5.641 -2.606 -1.693 1.00 . A A . 2 VAL C 1 1 5 1101 1 1 2 VAL CA C 4.268 -2.430 -2.332 1.00 . A A . 2 VAL CA 1 1 5 1102 1 1 2 VAL CB C 4.444 -2.160 -3.838 1.00 . A A . 2 VAL CB 1 1 5 1103 1 1 2 VAL CG1 C 5.299 -3.243 -4.478 1.00 . A A . 2 VAL CG1 1 1 5 1104 1 1 2 VAL CG2 C 3.090 -2.063 -4.523 1.00 . A A . 2 VAL CG2 1 1 5 1105 1 1 2 VAL H H 3.573 -0.451 -2.050 1.00 . A A . 2 VAL H 1 1 5 1106 1 1 2 VAL HA H 3.707 -3.346 -2.215 1.00 . A A . 2 VAL HA 1 1 5 1107 1 1 2 VAL HB H 4.953 -1.215 -3.957 1.00 . A A . 2 VAL HB 1 1 5 1108 1 1 2 VAL HG11 H 4.936 -3.445 -5.475 1.00 . A A . 2 VAL HG11 1 1 5 1109 1 1 2 VAL HG12 H 6.325 -2.910 -4.528 1.00 . A A . 2 VAL HG12 1 1 5 1110 1 1 2 VAL HG13 H 5.241 -4.145 -3.886 1.00 . A A . 2 VAL HG13 1 1 5 1111 1 1 2 VAL HG21 H 2.404 -1.520 -3.891 1.00 . A A . 2 VAL HG21 1 1 5 1112 1 1 2 VAL HG22 H 3.200 -1.544 -5.464 1.00 . A A . 2 VAL HG22 1 1 5 1113 1 1 2 VAL HG23 H 2.704 -3.056 -4.703 1.00 . A A . 2 VAL HG23 1 1 5 1114 1 1 2 VAL N N 3.521 -1.359 -1.684 1.00 . A A . 2 VAL N 1 1 5 1115 1 1 2 VAL O O 6.292 -3.634 -1.873 1.00 . A A . 2 VAL O 1 1 5 1116 1 1 3 ALA C C 7.552 -2.949 0.479 1.00 . A A . 3 ALA C 1 1 5 1117 1 1 3 ALA CA C 7.370 -1.639 -0.280 1.00 . A A . 3 ALA CA 1 1 5 1118 1 1 3 ALA CB C 7.518 -0.455 0.664 1.00 . A A . 3 ALA CB 1 1 5 1119 1 1 3 ALA H H 5.509 -0.802 -0.842 1.00 . A A . 3 ALA H 1 1 5 1120 1 1 3 ALA HA H 8.138 -1.564 -1.037 1.00 . A A . 3 ALA HA 1 1 5 1121 1 1 3 ALA HB1 H 6.590 0.097 0.697 1.00 . A A . 3 ALA HB1 1 1 5 1122 1 1 3 ALA HB2 H 7.761 -0.813 1.653 1.00 . A A . 3 ALA HB2 1 1 5 1123 1 1 3 ALA HB3 H 8.308 0.191 0.310 1.00 . A A . 3 ALA HB3 1 1 5 1124 1 1 3 ALA N N 6.075 -1.595 -0.947 1.00 . A A . 3 ALA N 1 1 5 1125 1 1 3 ALA O O 8.573 -3.623 0.338 1.00 . A A . 3 ALA O 1 1 5 1126 1 1 4 ARG C C 6.961 -5.724 1.187 1.00 . A A . 4 ARG C 1 1 5 1127 1 1 4 ARG CA C 6.609 -4.531 2.070 1.00 . A A . 4 ARG CA 1 1 5 1128 1 1 4 ARG CB C 5.267 -4.775 2.765 1.00 . A A . 4 ARG CB 1 1 5 1129 1 1 4 ARG CD C 2.773 -4.549 2.560 1.00 . A A . 4 ARG CD 1 1 5 1130 1 1 4 ARG CG C 4.080 -4.768 1.815 1.00 . A A . 4 ARG CG 1 1 5 1131 1 1 4 ARG CZ C 1.589 -6.691 2.324 1.00 . A A . 4 ARG CZ 1 1 5 1132 1 1 4 ARG H H 5.769 -2.723 1.357 1.00 . A A . 4 ARG H 1 1 5 1133 1 1 4 ARG HA H 7.376 -4.414 2.820 1.00 . A A . 4 ARG HA 1 1 5 1134 1 1 4 ARG HB2 H 5.299 -5.735 3.257 1.00 . A A . 4 ARG HB2 1 1 5 1135 1 1 4 ARG HB3 H 5.113 -4.004 3.505 1.00 . A A . 4 ARG HB3 1 1 5 1136 1 1 4 ARG HD2 H 2.952 -3.878 3.387 1.00 . A A . 4 ARG HD2 1 1 5 1137 1 1 4 ARG HD3 H 2.058 -4.105 1.884 1.00 . A A . 4 ARG HD3 1 1 5 1138 1 1 4 ARG HE H 2.329 -5.981 4.034 1.00 . A A . 4 ARG HE 1 1 5 1139 1 1 4 ARG HG2 H 4.209 -3.972 1.097 1.00 . A A . 4 ARG HG2 1 1 5 1140 1 1 4 ARG HG3 H 4.037 -5.716 1.301 1.00 . A A . 4 ARG HG3 1 1 5 1141 1 1 4 ARG HH11 H 1.784 -5.633 0.613 1.00 . A A . 4 ARG HH11 1 1 5 1142 1 1 4 ARG HH12 H 0.951 -7.145 0.460 1.00 . A A . 4 ARG HH12 1 1 5 1143 1 1 4 ARG HH21 H 0.638 -8.475 2.299 1.00 . A A . 4 ARG HH21 1 1 5 1144 1 1 4 ARG HH22 H 1.235 -7.974 3.845 1.00 . A A . 4 ARG HH22 1 1 5 1145 1 1 4 ARG N N 6.556 -3.303 1.286 1.00 . A A . 4 ARG N 1 1 5 1146 1 1 4 ARG NE N 2.221 -5.800 3.077 1.00 . A A . 4 ARG NE 1 1 5 1147 1 1 4 ARG NH1 N 1.427 -6.471 1.025 1.00 . A A . 4 ARG NH1 1 1 5 1148 1 1 4 ARG NH2 N 1.114 -7.805 2.866 1.00 . A A . 4 ARG NH2 1 1 5 1149 1 1 4 ARG O O 7.591 -6.679 1.640 1.00 . A A . 4 ARG O 1 1 5 1150 1 1 5 GLY C C 7.980 -6.423 -1.936 1.00 . A A . 5 GLY C 1 1 5 1151 1 1 5 GLY CA C 6.830 -6.744 -1.002 1.00 . A A . 5 GLY CA 1 1 5 1152 1 1 5 GLY H H 6.051 -4.876 -0.381 1.00 . A A . 5 GLY H 1 1 5 1153 1 1 5 GLY HA2 H 7.075 -7.632 -0.437 1.00 . A A . 5 GLY HA2 1 1 5 1154 1 1 5 GLY HA3 H 5.946 -6.937 -1.591 1.00 . A A . 5 GLY HA3 1 1 5 1155 1 1 5 GLY N N 6.550 -5.662 -0.076 1.00 . A A . 5 GLY N 1 1 5 1156 1 1 5 GLY O O 8.469 -7.298 -2.651 1.00 . A A . 5 GLY O 1 1 5 1157 1 1 6 TRP C C 10.656 -4.166 -1.955 1.00 . A A . 6 TRP C 1 1 5 1158 1 1 6 TRP CA C 9.511 -4.734 -2.786 1.00 . A A . 6 TRP CA 1 1 5 1159 1 1 6 TRP CB C 9.021 -3.686 -3.787 1.00 . A A . 6 TRP CB 1 1 5 1160 1 1 6 TRP CD1 C 10.217 -1.702 -4.883 1.00 . A A . 6 TRP CD1 1 1 5 1161 1 1 6 TRP CD2 C 11.317 -3.646 -5.049 1.00 . A A . 6 TRP CD2 1 1 5 1162 1 1 6 TRP CE2 C 12.075 -2.644 -5.687 1.00 . A A . 6 TRP CE2 1 1 5 1163 1 1 6 TRP CE3 C 11.812 -4.952 -5.027 1.00 . A A . 6 TRP CE3 1 1 5 1164 1 1 6 TRP CG C 10.133 -3.021 -4.541 1.00 . A A . 6 TRP CG 1 1 5 1165 1 1 6 TRP CH2 C 13.759 -4.199 -6.258 1.00 . A A . 6 TRP CH2 1 1 5 1166 1 1 6 TRP CZ2 C 13.299 -2.911 -6.296 1.00 . A A . 6 TRP CZ2 1 1 5 1167 1 1 6 TRP CZ3 C 13.026 -5.216 -5.631 1.00 . A A . 6 TRP CZ3 1 1 5 1168 1 1 6 TRP H H 7.981 -4.516 -1.339 1.00 . A A . 6 TRP H 1 1 5 1169 1 1 6 TRP HA H 9.867 -5.597 -3.328 1.00 . A A . 6 TRP HA 1 1 5 1170 1 1 6 TRP HB2 H 8.368 -4.159 -4.505 1.00 . A A . 6 TRP HB2 1 1 5 1171 1 1 6 TRP HB3 H 8.473 -2.920 -3.256 1.00 . A A . 6 TRP HB3 1 1 5 1172 1 1 6 TRP HD1 H 9.469 -0.962 -4.640 1.00 . A A . 6 TRP HD1 1 1 5 1173 1 1 6 TRP HE1 H 11.672 -0.599 -5.923 1.00 . A A . 6 TRP HE1 1 1 5 1174 1 1 6 TRP HE3 H 11.262 -5.750 -4.548 1.00 . A A . 6 TRP HE3 1 1 5 1175 1 1 6 TRP HH2 H 14.702 -4.450 -6.717 1.00 . A A . 6 TRP HH2 1 1 5 1176 1 1 6 TRP HZ2 H 13.877 -2.138 -6.782 1.00 . A A . 6 TRP HZ2 1 1 5 1177 1 1 6 TRP HZ3 H 13.424 -6.220 -5.623 1.00 . A A . 6 TRP HZ3 1 1 5 1178 1 1 6 TRP N N 8.411 -5.168 -1.931 1.00 . A A . 6 TRP N 1 1 5 1179 1 1 6 TRP NE1 N 11.383 -1.468 -5.572 1.00 . A A . 6 TRP NE1 1 1 5 1180 1 1 6 TRP O O 11.661 -4.838 -1.726 1.00 . A A . 6 TRP O 1 1 5 1181 1 1 7 LYS C C 11.110 -2.234 0.771 1.00 . A A . 7 LYS C 1 1 5 1182 1 1 7 LYS CA C 11.517 -2.268 -0.699 1.00 . A A . 7 LYS CA 1 1 5 1183 1 1 7 LYS CB C 11.757 -0.843 -1.205 1.00 . A A . 7 LYS CB 1 1 5 1184 1 1 7 LYS CD C 13.964 -1.497 -2.209 1.00 . A A . 7 LYS CD 1 1 5 1185 1 1 7 LYS CE C 14.982 -1.147 -3.283 1.00 . A A . 7 LYS CE 1 1 5 1186 1 1 7 LYS CG C 12.646 -0.776 -2.434 1.00 . A A . 7 LYS CG 1 1 5 1187 1 1 7 LYS H H 9.672 -2.441 -1.723 1.00 . A A . 7 LYS H 1 1 5 1188 1 1 7 LYS HA H 12.431 -2.833 -0.794 1.00 . A A . 7 LYS HA 1 1 5 1189 1 1 7 LYS HB2 H 10.805 -0.396 -1.450 1.00 . A A . 7 LYS HB2 1 1 5 1190 1 1 7 LYS HB3 H 12.222 -0.268 -0.417 1.00 . A A . 7 LYS HB3 1 1 5 1191 1 1 7 LYS HD2 H 14.361 -1.212 -1.246 1.00 . A A . 7 LYS HD2 1 1 5 1192 1 1 7 LYS HD3 H 13.789 -2.564 -2.227 1.00 . A A . 7 LYS HD3 1 1 5 1193 1 1 7 LYS HE2 H 14.455 -0.877 -4.185 1.00 . A A . 7 LYS HE2 1 1 5 1194 1 1 7 LYS HE3 H 15.569 -0.305 -2.943 1.00 . A A . 7 LYS HE3 1 1 5 1195 1 1 7 LYS HG2 H 12.133 -1.238 -3.264 1.00 . A A . 7 LYS HG2 1 1 5 1196 1 1 7 LYS HG3 H 12.848 0.261 -2.664 1.00 . A A . 7 LYS HG3 1 1 5 1197 1 1 7 LYS HZ1 H 15.386 -3.026 -4.101 1.00 . A A . 7 LYS HZ1 1 1 5 1198 1 1 7 LYS HZ2 H 16.257 -2.691 -2.688 1.00 . A A . 7 LYS HZ2 1 1 5 1199 1 1 7 LYS HZ3 H 16.700 -1.961 -4.148 1.00 . A A . 7 LYS HZ3 1 1 5 1200 1 1 7 LYS N N 10.496 -2.926 -1.506 1.00 . A A . 7 LYS N 1 1 5 1201 1 1 7 LYS NZ N 15.895 -2.285 -3.576 1.00 . A A . 7 LYS NZ 1 1 5 1202 1 1 7 LYS O O 10.077 -1.667 1.126 1.00 . A A . 7 LYS O 1 1 5 1203 1 1 8 ARG C C 11.975 -1.542 3.705 1.00 . A A . 8 ARG C 1 1 5 1204 1 1 8 ARG CA C 11.654 -2.884 3.052 1.00 . A A . 8 ARG CA 1 1 5 1205 1 1 8 ARG CB C 12.467 -3.996 3.719 1.00 . A A . 8 ARG CB 1 1 5 1206 1 1 8 ARG CD C 14.732 -5.009 3.316 1.00 . A A . 8 ARG CD 1 1 5 1207 1 1 8 ARG CG C 13.967 -3.750 3.696 1.00 . A A . 8 ARG CG 1 1 5 1208 1 1 8 ARG CZ C 17.061 -5.713 2.971 1.00 . A A . 8 ARG CZ 1 1 5 1209 1 1 8 ARG H H 12.738 -3.278 1.278 1.00 . A A . 8 ARG H 1 1 5 1210 1 1 8 ARG HA H 10.603 -3.091 3.182 1.00 . A A . 8 ARG HA 1 1 5 1211 1 1 8 ARG HB2 H 12.155 -4.085 4.750 1.00 . A A . 8 ARG HB2 1 1 5 1212 1 1 8 ARG HB3 H 12.268 -4.926 3.208 1.00 . A A . 8 ARG HB3 1 1 5 1213 1 1 8 ARG HD2 H 14.590 -5.747 4.091 1.00 . A A . 8 ARG HD2 1 1 5 1214 1 1 8 ARG HD3 H 14.337 -5.385 2.385 1.00 . A A . 8 ARG HD3 1 1 5 1215 1 1 8 ARG HE H 16.463 -3.823 3.196 1.00 . A A . 8 ARG HE 1 1 5 1216 1 1 8 ARG HG2 H 14.186 -2.978 2.973 1.00 . A A . 8 ARG HG2 1 1 5 1217 1 1 8 ARG HG3 H 14.285 -3.428 4.677 1.00 . A A . 8 ARG HG3 1 1 5 1218 1 1 8 ARG HH11 H 15.716 -7.219 3.017 1.00 . A A . 8 ARG HH11 1 1 5 1219 1 1 8 ARG HH12 H 17.362 -7.701 2.774 1.00 . A A . 8 ARG HH12 1 1 5 1220 1 1 8 ARG HH21 H 19.021 -6.123 2.695 1.00 . A A . 8 ARG HH21 1 1 5 1221 1 1 8 ARG HH22 H 18.634 -4.446 2.876 1.00 . A A . 8 ARG HH22 1 1 5 1222 1 1 8 ARG N N 11.929 -2.845 1.621 1.00 . A A . 8 ARG N 1 1 5 1223 1 1 8 ARG NE N 16.161 -4.754 3.159 1.00 . A A . 8 ARG NE 1 1 5 1224 1 1 8 ARG NH1 N 16.682 -6.982 2.917 1.00 . A A . 8 ARG NH1 1 1 5 1225 1 1 8 ARG NH2 N 18.344 -5.402 2.836 1.00 . A A . 8 ARG NH2 1 1 5 1226 1 1 8 ARG O O 11.747 -1.350 4.899 1.00 . A A . 8 ARG O 1 1 5 1227 1 1 9 LYS C C 11.622 1.587 3.543 1.00 . A A . 9 LYS C 1 1 5 1228 1 1 9 LYS CA C 12.861 0.706 3.412 1.00 . A A . 9 LYS CA 1 1 5 1229 1 1 9 LYS CB C 13.876 1.372 2.480 1.00 . A A . 9 LYS CB 1 1 5 1230 1 1 9 LYS CD C 15.858 0.856 3.935 1.00 . A A . 9 LYS CD 1 1 5 1231 1 1 9 LYS CE C 17.375 0.740 3.901 1.00 . A A . 9 LYS CE 1 1 5 1232 1 1 9 LYS CG C 15.259 0.747 2.543 1.00 . A A . 9 LYS CG 1 1 5 1233 1 1 9 LYS H H 12.667 -0.831 1.969 1.00 . A A . 9 LYS H 1 1 5 1234 1 1 9 LYS HA H 13.306 0.586 4.388 1.00 . A A . 9 LYS HA 1 1 5 1235 1 1 9 LYS HB2 H 13.516 1.297 1.465 1.00 . A A . 9 LYS HB2 1 1 5 1236 1 1 9 LYS HB3 H 13.963 2.414 2.748 1.00 . A A . 9 LYS HB3 1 1 5 1237 1 1 9 LYS HD2 H 15.592 1.813 4.359 1.00 . A A . 9 LYS HD2 1 1 5 1238 1 1 9 LYS HD3 H 15.459 0.064 4.553 1.00 . A A . 9 LYS HD3 1 1 5 1239 1 1 9 LYS HE2 H 17.644 -0.299 4.005 1.00 . A A . 9 LYS HE2 1 1 5 1240 1 1 9 LYS HE3 H 17.729 1.111 2.951 1.00 . A A . 9 LYS HE3 1 1 5 1241 1 1 9 LYS HG2 H 15.186 -0.297 2.275 1.00 . A A . 9 LYS HG2 1 1 5 1242 1 1 9 LYS HG3 H 15.906 1.255 1.841 1.00 . A A . 9 LYS HG3 1 1 5 1243 1 1 9 LYS HZ1 H 18.590 0.891 5.593 1.00 . A A . 9 LYS HZ1 1 1 5 1244 1 1 9 LYS HZ2 H 17.287 1.971 5.586 1.00 . A A . 9 LYS HZ2 1 1 5 1245 1 1 9 LYS HZ3 H 18.629 2.259 4.597 1.00 . A A . 9 LYS HZ3 1 1 5 1246 1 1 9 LYS N N 12.508 -0.617 2.913 1.00 . A A . 9 LYS N 1 1 5 1247 1 1 9 LYS NZ N 18.016 1.520 4.996 1.00 . A A . 9 LYS NZ 1 1 5 1248 1 1 9 LYS O O 10.794 1.382 4.431 1.00 . A A . 9 LYS O 1 1 5 1249 1 1 10 CYS C C 9.643 3.471 1.321 1.00 . A A . 10 CYS C 1 1 5 1250 1 1 10 CYS CA C 10.362 3.476 2.667 1.00 . A A . 10 CYS CA 1 1 5 1251 1 1 10 CYS CB C 10.821 4.894 3.009 1.00 . A A . 10 CYS CB 1 1 5 1252 1 1 10 CYS H H 12.194 2.677 1.968 1.00 . A A . 10 CYS H 1 1 5 1253 1 1 10 CYS HA H 9.676 3.135 3.428 1.00 . A A . 10 CYS HA 1 1 5 1254 1 1 10 CYS HB2 H 11.891 4.959 2.878 1.00 . A A . 10 CYS HB2 1 1 5 1255 1 1 10 CYS HB3 H 10.340 5.590 2.339 1.00 . A A . 10 CYS HB3 1 1 5 1256 1 1 10 CYS HG H 10.756 6.685 4.822 1.00 . A A . 10 CYS HG 1 1 5 1257 1 1 10 CYS N N 11.500 2.564 2.651 1.00 . A A . 10 CYS N 1 1 5 1258 1 1 10 CYS O O 8.510 3.006 1.197 1.00 . A A . 10 CYS O 1 1 5 1259 1 1 10 CYS SG S 10.442 5.405 4.702 1.00 . A A . 10 CYS SG 1 1 5 1260 1 1 11 PRO C C 9.649 2.698 -1.717 1.00 . A A . 11 PRO C 1 1 5 1261 1 1 11 PRO CA C 9.761 4.072 -1.064 1.00 . A A . 11 PRO CA 1 1 5 1262 1 1 11 PRO CB C 10.772 4.941 -1.818 1.00 . A A . 11 PRO CB 1 1 5 1263 1 1 11 PRO CD C 11.671 4.575 0.366 1.00 . A A . 11 PRO CD 1 1 5 1264 1 1 11 PRO CG C 12.051 4.763 -1.075 1.00 . A A . 11 PRO CG 1 1 5 1265 1 1 11 PRO HA H 8.793 4.553 -1.073 1.00 . A A . 11 PRO HA 1 1 5 1266 1 1 11 PRO HB2 H 10.855 4.598 -2.839 1.00 . A A . 11 PRO HB2 1 1 5 1267 1 1 11 PRO HB3 H 10.447 5.971 -1.804 1.00 . A A . 11 PRO HB3 1 1 5 1268 1 1 11 PRO HD2 H 12.352 3.890 0.850 1.00 . A A . 11 PRO HD2 1 1 5 1269 1 1 11 PRO HD3 H 11.659 5.524 0.881 1.00 . A A . 11 PRO HD3 1 1 5 1270 1 1 11 PRO HG2 H 12.571 3.892 -1.444 1.00 . A A . 11 PRO HG2 1 1 5 1271 1 1 11 PRO HG3 H 12.666 5.644 -1.189 1.00 . A A . 11 PRO HG3 1 1 5 1272 1 1 11 PRO N N 10.316 4.001 0.290 1.00 . A A . 11 PRO N 1 1 5 1273 1 1 11 PRO O O 9.928 1.676 -1.089 1.00 . A A . 11 PRO O 1 1 5 1274 1 1 12 LEU C C 10.106 1.349 -4.858 1.00 . A A . 12 LEU C 1 1 5 1275 1 1 12 LEU CA C 9.094 1.431 -3.720 1.00 . A A . 12 LEU CA 1 1 5 1276 1 1 12 LEU CB C 7.674 1.309 -4.276 1.00 . A A . 12 LEU CB 1 1 5 1277 1 1 12 LEU CD1 C 6.944 1.260 -1.878 1.00 . A A . 12 LEU CD1 1 1 5 1278 1 1 12 LEU CD2 C 5.234 1.324 -3.702 1.00 . A A . 12 LEU CD2 1 1 5 1279 1 1 12 LEU CG C 6.609 0.818 -3.294 1.00 . A A . 12 LEU CG 1 1 5 1280 1 1 12 LEU H H 9.035 3.526 -3.430 1.00 . A A . 12 LEU H 1 1 5 1281 1 1 12 LEU HA H 9.275 0.617 -3.034 1.00 . A A . 12 LEU HA 1 1 5 1282 1 1 12 LEU HB2 H 7.372 2.283 -4.630 1.00 . A A . 12 LEU HB2 1 1 5 1283 1 1 12 LEU HB3 H 7.703 0.618 -5.107 1.00 . A A . 12 LEU HB3 1 1 5 1284 1 1 12 LEU HD11 H 7.845 0.764 -1.550 1.00 . A A . 12 LEU HD11 1 1 5 1285 1 1 12 LEU HD12 H 6.129 1.001 -1.218 1.00 . A A . 12 LEU HD12 1 1 5 1286 1 1 12 LEU HD13 H 7.094 2.329 -1.861 1.00 . A A . 12 LEU HD13 1 1 5 1287 1 1 12 LEU HD21 H 4.883 0.765 -4.556 1.00 . A A . 12 LEU HD21 1 1 5 1288 1 1 12 LEU HD22 H 5.298 2.372 -3.958 1.00 . A A . 12 LEU HD22 1 1 5 1289 1 1 12 LEU HD23 H 4.545 1.197 -2.879 1.00 . A A . 12 LEU HD23 1 1 5 1290 1 1 12 LEU HG H 6.586 -0.263 -3.309 1.00 . A A . 12 LEU HG 1 1 5 1291 1 1 12 LEU N N 9.241 2.680 -2.981 1.00 . A A . 12 LEU N 1 1 5 1292 1 1 12 LEU O O 11.288 1.083 -4.635 1.00 . A A . 12 LEU O 1 1 5 1293 1 1 13 PHE C C 10.878 2.939 -7.707 1.00 . A A . 13 PHE C 1 1 5 1294 1 1 13 PHE CA C 10.500 1.532 -7.253 1.00 . A A . 13 PHE CA 1 1 5 1295 1 1 13 PHE CB C 9.807 0.785 -8.394 1.00 . A A . 13 PHE CB 1 1 5 1296 1 1 13 PHE CD1 C 8.311 -0.964 -7.392 1.00 . A A . 13 PHE CD1 1 1 5 1297 1 1 13 PHE CD2 C 10.342 -1.666 -8.425 1.00 . A A . 13 PHE CD2 1 1 5 1298 1 1 13 PHE CE1 C 8.007 -2.277 -7.088 1.00 . A A . 13 PHE CE1 1 1 5 1299 1 1 13 PHE CE2 C 10.044 -2.981 -8.122 1.00 . A A . 13 PHE CE2 1 1 5 1300 1 1 13 PHE CG C 9.480 -0.643 -8.063 1.00 . A A . 13 PHE CG 1 1 5 1301 1 1 13 PHE CZ C 8.876 -3.287 -7.452 1.00 . A A . 13 PHE CZ 1 1 5 1302 1 1 13 PHE H H 8.685 1.785 -6.194 1.00 . A A . 13 PHE H 1 1 5 1303 1 1 13 PHE HA H 11.399 1.001 -6.981 1.00 . A A . 13 PHE HA 1 1 5 1304 1 1 13 PHE HB2 H 8.883 1.289 -8.635 1.00 . A A . 13 PHE HB2 1 1 5 1305 1 1 13 PHE HB3 H 10.451 0.788 -9.261 1.00 . A A . 13 PHE HB3 1 1 5 1306 1 1 13 PHE HD1 H 7.630 -0.173 -7.107 1.00 . A A . 13 PHE HD1 1 1 5 1307 1 1 13 PHE HD2 H 11.257 -1.429 -8.948 1.00 . A A . 13 PHE HD2 1 1 5 1308 1 1 13 PHE HE1 H 7.093 -2.512 -6.563 1.00 . A A . 13 PHE HE1 1 1 5 1309 1 1 13 PHE HE2 H 10.724 -3.770 -8.409 1.00 . A A . 13 PHE HE2 1 1 5 1310 1 1 13 PHE HZ H 8.640 -4.313 -7.216 1.00 . A A . 13 PHE HZ 1 1 5 1311 1 1 13 PHE N N 9.636 1.579 -6.080 1.00 . A A . 13 PHE N 1 1 5 1312 1 1 13 PHE O O 11.582 3.662 -7.004 1.00 . A A . 13 PHE O 1 1 5 1313 1 1 14 GLY C C 9.451 5.427 -9.752 1.00 . A A . 14 GLY C 1 1 5 1314 1 1 14 GLY CA C 10.702 4.638 -9.419 1.00 . A A . 14 GLY CA 1 1 5 1315 1 1 14 GLY H H 9.847 2.701 -9.407 1.00 . A A . 14 GLY H 1 1 5 1316 1 1 14 GLY HA2 H 11.276 5.187 -8.686 1.00 . A A . 14 GLY HA2 1 1 5 1317 1 1 14 GLY HA3 H 11.294 4.529 -10.316 1.00 . A A . 14 GLY HA3 1 1 5 1318 1 1 14 GLY N N 10.404 3.320 -8.890 1.00 . A A . 14 GLY N 1 1 5 1319 1 1 14 GLY O O 9.508 6.419 -10.479 1.00 . A A . 14 GLY O 1 1 5 1320 1 1 15 LYS C C 6.588 6.423 -8.231 1.00 . A A . 15 LYS C 1 1 5 1321 1 1 15 LYS CA C 7.044 5.653 -9.466 1.00 . A A . 15 LYS CA 1 1 5 1322 1 1 15 LYS CB C 5.976 4.633 -9.867 1.00 . A A . 15 LYS CB 1 1 5 1323 1 1 15 LYS CD C 6.730 2.254 -9.586 1.00 . A A . 15 LYS CD 1 1 5 1324 1 1 15 LYS CE C 5.424 1.516 -9.332 1.00 . A A . 15 LYS CE 1 1 5 1325 1 1 15 LYS CG C 6.539 3.404 -10.560 1.00 . A A . 15 LYS CG 1 1 5 1326 1 1 15 LYS H H 8.335 4.187 -8.649 1.00 . A A . 15 LYS H 1 1 5 1327 1 1 15 LYS HA H 7.187 6.350 -10.278 1.00 . A A . 15 LYS HA 1 1 5 1328 1 1 15 LYS HB2 H 5.451 4.312 -8.980 1.00 . A A . 15 LYS HB2 1 1 5 1329 1 1 15 LYS HB3 H 5.276 5.109 -10.539 1.00 . A A . 15 LYS HB3 1 1 5 1330 1 1 15 LYS HD2 H 7.447 1.559 -9.998 1.00 . A A . 15 LYS HD2 1 1 5 1331 1 1 15 LYS HD3 H 7.101 2.644 -8.649 1.00 . A A . 15 LYS HD3 1 1 5 1332 1 1 15 LYS HE2 H 4.689 1.857 -10.044 1.00 . A A . 15 LYS HE2 1 1 5 1333 1 1 15 LYS HE3 H 5.592 0.457 -9.466 1.00 . A A . 15 LYS HE3 1 1 5 1334 1 1 15 LYS HG2 H 5.855 3.095 -11.336 1.00 . A A . 15 LYS HG2 1 1 5 1335 1 1 15 LYS HG3 H 7.495 3.655 -10.999 1.00 . A A . 15 LYS HG3 1 1 5 1336 1 1 15 LYS HZ1 H 4.300 0.968 -7.659 1.00 . A A . 15 LYS HZ1 1 1 5 1337 1 1 15 LYS HZ2 H 4.363 2.638 -7.925 1.00 . A A . 15 LYS HZ2 1 1 5 1338 1 1 15 LYS HZ3 H 5.705 1.833 -7.286 1.00 . A A . 15 LYS HZ3 1 1 5 1339 1 1 15 LYS N N 8.316 4.984 -9.221 1.00 . A A . 15 LYS N 1 1 5 1340 1 1 15 LYS NZ N 4.912 1.755 -7.954 1.00 . A A . 15 LYS NZ 1 1 5 1341 1 1 15 LYS O O 6.646 7.652 -8.196 1.00 . A A . 15 LYS O 1 1 5 1342 1 1 16 GLY C C 6.421 5.826 -4.771 1.00 . A A . 16 GLY C 1 1 5 1343 1 1 16 GLY CA C 5.676 6.323 -5.994 1.00 . A A . 16 GLY CA 1 1 5 1344 1 1 16 GLY H H 6.110 4.716 -7.301 1.00 . A A . 16 GLY H 1 1 5 1345 1 1 16 GLY HA2 H 5.815 7.391 -6.078 1.00 . A A . 16 GLY HA2 1 1 5 1346 1 1 16 GLY HA3 H 4.623 6.117 -5.868 1.00 . A A . 16 GLY HA3 1 1 5 1347 1 1 16 GLY N N 6.134 5.692 -7.217 1.00 . A A . 16 GLY N 1 1 5 1348 1 1 16 GLY O O 7.617 6.072 -4.621 1.00 . A A . 16 GLY O 1 1 5 1349 1 1 17 GLY C C 6.348 5.620 -1.560 1.00 . A A . 17 GLY C 1 1 5 1350 1 1 17 GLY CA C 6.329 4.605 -2.685 1.00 . A A . 17 GLY CA 1 1 5 1351 1 1 17 GLY H H 4.761 4.960 -4.063 1.00 . A A . 17 GLY H 1 1 5 1352 1 1 17 GLY HA2 H 5.781 3.734 -2.361 1.00 . A A . 17 GLY HA2 1 1 5 1353 1 1 17 GLY HA3 H 7.345 4.316 -2.911 1.00 . A A . 17 GLY HA3 1 1 5 1354 1 1 17 GLY N N 5.711 5.126 -3.891 1.00 . A A . 17 GLY N 1 1 5 1355 1 1 17 GLY O O 6.081 6.802 -1.776 1.00 . A A . 17 GLY O 1 1 6 1356 1 1 1 PTL C1 C 3.440 -0.723 -1.204 1.00 . A A . 1 PTL C1 1 1 6 1357 1 1 1 PTL C2 C 2.860 0.665 -0.955 1.00 . A A . 1 PTL C2 1 1 6 1358 1 1 1 PTL C3 C 2.003 0.653 0.313 1.00 . A A . 1 PTL C3 1 1 6 1359 1 1 1 PTL C4 C 2.672 1.320 1.504 1.00 . A A . 1 PTL C4 1 1 6 1360 1 1 1 PTL C5 C 3.967 0.667 1.881 1.00 . A A . 1 PTL C5 1 1 6 1361 1 1 1 PTL H21 H 2.230 0.952 -1.797 1.00 . A A . 1 PTL H21 1 1 6 1362 1 1 1 PTL H22 H 3.671 1.363 -0.823 1.00 . A A . 1 PTL H22 1 1 6 1363 1 1 1 PTL H31 H 1.076 1.168 0.112 1.00 . A A . 1 PTL H31 1 1 6 1364 1 1 1 PTL H32 H 1.787 -0.372 0.578 1.00 . A A . 1 PTL H32 1 1 6 1365 1 1 1 PTL H41 H 2.865 2.353 1.259 1.00 . A A . 1 PTL H41 1 1 6 1366 1 1 1 PTL H42 H 2.001 1.272 2.349 1.00 . A A . 1 PTL H42 1 1 6 1367 1 1 1 PTL H51 H 3.937 0.376 2.931 1.00 . A A . 1 PTL H51 1 1 6 1368 1 1 1 PTL H52 H 4.122 -0.219 1.265 1.00 . A A . 1 PTL H52 1 1 6 1369 1 1 1 PTL H53 H 4.787 1.368 1.724 1.00 . A A . 1 PTL H53 1 1 6 1370 1 1 1 PTL O1 O 3.605 -1.515 -0.275 1.00 . A A . 1 PTL O1 1 1 6 1371 1 1 2 VAL C C 5.629 -2.561 -2.109 1.00 . A A . 2 VAL C 1 1 6 1372 1 1 2 VAL CA C 4.312 -2.307 -2.835 1.00 . A A . 2 VAL CA 1 1 6 1373 1 1 2 VAL CB C 4.550 -2.401 -4.354 1.00 . A A . 2 VAL CB 1 1 6 1374 1 1 2 VAL CG1 C 5.214 -3.721 -4.709 1.00 . A A . 2 VAL CG1 1 1 6 1375 1 1 2 VAL CG2 C 3.239 -2.233 -5.109 1.00 . A A . 2 VAL CG2 1 1 6 1376 1 1 2 VAL H H 3.595 -0.342 -3.161 1.00 . A A . 2 VAL H 1 1 6 1377 1 1 2 VAL HA H 3.604 -3.073 -2.554 1.00 . A A . 2 VAL HA 1 1 6 1378 1 1 2 VAL HB H 5.213 -1.599 -4.645 1.00 . A A . 2 VAL HB 1 1 6 1379 1 1 2 VAL HG11 H 4.851 -4.496 -4.051 1.00 . A A . 2 VAL HG11 1 1 6 1380 1 1 2 VAL HG12 H 4.981 -3.978 -5.732 1.00 . A A . 2 VAL HG12 1 1 6 1381 1 1 2 VAL HG13 H 6.285 -3.627 -4.597 1.00 . A A . 2 VAL HG13 1 1 6 1382 1 1 2 VAL HG21 H 3.024 -3.136 -5.660 1.00 . A A . 2 VAL HG21 1 1 6 1383 1 1 2 VAL HG22 H 2.442 -2.040 -4.406 1.00 . A A . 2 VAL HG22 1 1 6 1384 1 1 2 VAL HG23 H 3.322 -1.403 -5.796 1.00 . A A . 2 VAL HG23 1 1 6 1385 1 1 2 VAL N N 3.749 -1.014 -2.464 1.00 . A A . 2 VAL N 1 1 6 1386 1 1 2 VAL O O 6.093 -3.698 -2.023 1.00 . A A . 2 VAL O 1 1 6 1387 1 1 3 ALA C C 7.422 -2.693 0.198 1.00 . A A . 3 ALA C 1 1 6 1388 1 1 3 ALA CA C 7.488 -1.602 -0.867 1.00 . A A . 3 ALA CA 1 1 6 1389 1 1 3 ALA CB C 7.851 -0.266 -0.235 1.00 . A A . 3 ALA CB 1 1 6 1390 1 1 3 ALA H H 5.807 -0.615 -1.689 1.00 . A A . 3 ALA H 1 1 6 1391 1 1 3 ALA HA H 8.260 -1.857 -1.580 1.00 . A A . 3 ALA HA 1 1 6 1392 1 1 3 ALA HB1 H 8.775 0.094 -0.660 1.00 . A A . 3 ALA HB1 1 1 6 1393 1 1 3 ALA HB2 H 7.063 0.447 -0.427 1.00 . A A . 3 ALA HB2 1 1 6 1394 1 1 3 ALA HB3 H 7.970 -0.394 0.832 1.00 . A A . 3 ALA HB3 1 1 6 1395 1 1 3 ALA N N 6.226 -1.494 -1.588 1.00 . A A . 3 ALA N 1 1 6 1396 1 1 3 ALA O O 8.434 -3.305 0.537 1.00 . A A . 3 ALA O 1 1 6 1397 1 1 4 ARG C C 6.745 -5.239 1.379 1.00 . A A . 4 ARG C 1 1 6 1398 1 1 4 ARG CA C 6.025 -3.945 1.748 1.00 . A A . 4 ARG CA 1 1 6 1399 1 1 4 ARG CB C 4.533 -4.217 1.946 1.00 . A A . 4 ARG CB 1 1 6 1400 1 1 4 ARG CD C 2.394 -2.964 2.363 1.00 . A A . 4 ARG CD 1 1 6 1401 1 1 4 ARG CG C 3.833 -3.177 2.806 1.00 . A A . 4 ARG CG 1 1 6 1402 1 1 4 ARG CZ C 0.192 -3.889 2.941 1.00 . A A . 4 ARG CZ 1 1 6 1403 1 1 4 ARG H H 5.454 -2.408 0.409 1.00 . A A . 4 ARG H 1 1 6 1404 1 1 4 ARG HA H 6.438 -3.568 2.672 1.00 . A A . 4 ARG HA 1 1 6 1405 1 1 4 ARG HB2 H 4.051 -4.235 0.980 1.00 . A A . 4 ARG HB2 1 1 6 1406 1 1 4 ARG HB3 H 4.414 -5.181 2.416 1.00 . A A . 4 ARG HB3 1 1 6 1407 1 1 4 ARG HD2 H 2.198 -1.903 2.321 1.00 . A A . 4 ARG HD2 1 1 6 1408 1 1 4 ARG HD3 H 2.269 -3.391 1.379 1.00 . A A . 4 ARG HD3 1 1 6 1409 1 1 4 ARG HE H 1.748 -3.789 4.184 1.00 . A A . 4 ARG HE 1 1 6 1410 1 1 4 ARG HG2 H 3.835 -3.514 3.833 1.00 . A A . 4 ARG HG2 1 1 6 1411 1 1 4 ARG HG3 H 4.367 -2.243 2.730 1.00 . A A . 4 ARG HG3 1 1 6 1412 1 1 4 ARG HH11 H 0.355 -3.202 1.049 1.00 . A A . 4 ARG HH11 1 1 6 1413 1 1 4 ARG HH12 H -1.193 -3.857 1.470 1.00 . A A . 4 ARG HH12 1 1 6 1414 1 1 4 ARG HH21 H -1.557 -4.682 3.575 1.00 . A A . 4 ARG HH21 1 1 6 1415 1 1 4 ARG HH22 H -0.285 -4.654 4.751 1.00 . A A . 4 ARG HH22 1 1 6 1416 1 1 4 ARG N N 6.223 -2.929 0.721 1.00 . A A . 4 ARG N 1 1 6 1417 1 1 4 ARG NE N 1.441 -3.587 3.277 1.00 . A A . 4 ARG NE 1 1 6 1418 1 1 4 ARG NH1 N -0.252 -3.627 1.719 1.00 . A A . 4 ARG NH1 1 1 6 1419 1 1 4 ARG NH2 N -0.616 -4.455 3.829 1.00 . A A . 4 ARG NH2 1 1 6 1420 1 1 4 ARG O O 7.349 -5.890 2.231 1.00 . A A . 4 ARG O 1 1 6 1421 1 1 5 GLY C C 8.347 -6.556 -1.442 1.00 . A A . 5 GLY C 1 1 6 1422 1 1 5 GLY CA C 7.322 -6.821 -0.356 1.00 . A A . 5 GLY CA 1 1 6 1423 1 1 5 GLY H H 6.179 -5.047 -0.532 1.00 . A A . 5 GLY H 1 1 6 1424 1 1 5 GLY HA2 H 7.814 -7.293 0.482 1.00 . A A . 5 GLY HA2 1 1 6 1425 1 1 5 GLY HA3 H 6.571 -7.492 -0.743 1.00 . A A . 5 GLY HA3 1 1 6 1426 1 1 5 GLY N N 6.674 -5.606 0.103 1.00 . A A . 5 GLY N 1 1 6 1427 1 1 5 GLY O O 8.809 -7.484 -2.108 1.00 . A A . 5 GLY O 1 1 6 1428 1 1 6 TRP C C 10.872 -4.199 -2.002 1.00 . A A . 6 TRP C 1 1 6 1429 1 1 6 TRP CA C 9.679 -4.906 -2.635 1.00 . A A . 6 TRP CA 1 1 6 1430 1 1 6 TRP CB C 9.028 -4.000 -3.681 1.00 . A A . 6 TRP CB 1 1 6 1431 1 1 6 TRP CD1 C 9.973 -2.069 -5.076 1.00 . A A . 6 TRP CD1 1 1 6 1432 1 1 6 TRP CD2 C 11.196 -3.943 -5.152 1.00 . A A . 6 TRP CD2 1 1 6 1433 1 1 6 TRP CE2 C 11.819 -2.968 -5.954 1.00 . A A . 6 TRP CE2 1 1 6 1434 1 1 6 TRP CE3 C 11.786 -5.206 -5.046 1.00 . A A . 6 TRP CE3 1 1 6 1435 1 1 6 TRP CG C 10.018 -3.347 -4.599 1.00 . A A . 6 TRP CG 1 1 6 1436 1 1 6 TRP CH2 C 13.558 -4.462 -6.524 1.00 . A A . 6 TRP CH2 1 1 6 1437 1 1 6 TRP CZ2 C 13.001 -3.218 -6.646 1.00 . A A . 6 TRP CZ2 1 1 6 1438 1 1 6 TRP CZ3 C 12.959 -5.452 -5.734 1.00 . A A . 6 TRP CZ3 1 1 6 1439 1 1 6 TRP H H 8.300 -4.595 -1.059 1.00 . A A . 6 TRP H 1 1 6 1440 1 1 6 TRP HA H 10.024 -5.808 -3.118 1.00 . A A . 6 TRP HA 1 1 6 1441 1 1 6 TRP HB2 H 8.349 -4.584 -4.283 1.00 . A A . 6 TRP HB2 1 1 6 1442 1 1 6 TRP HB3 H 8.476 -3.220 -3.177 1.00 . A A . 6 TRP HB3 1 1 6 1443 1 1 6 TRP HD1 H 9.196 -1.357 -4.840 1.00 . A A . 6 TRP HD1 1 1 6 1444 1 1 6 TRP HE1 H 11.245 -0.990 -6.353 1.00 . A A . 6 TRP HE1 1 1 6 1445 1 1 6 TRP HE3 H 11.340 -5.982 -4.441 1.00 . A A . 6 TRP HE3 1 1 6 1446 1 1 6 TRP HH2 H 14.474 -4.698 -7.043 1.00 . A A . 6 TRP HH2 1 1 6 1447 1 1 6 TRP HZ2 H 13.475 -2.465 -7.259 1.00 . A A . 6 TRP HZ2 1 1 6 1448 1 1 6 TRP HZ3 H 13.430 -6.422 -5.664 1.00 . A A . 6 TRP HZ3 1 1 6 1449 1 1 6 TRP N N 8.703 -5.290 -1.621 1.00 . A A . 6 TRP N 1 1 6 1450 1 1 6 TRP NE1 N 11.053 -1.833 -5.893 1.00 . A A . 6 TRP NE1 1 1 6 1451 1 1 6 TRP O O 12.023 -4.543 -2.268 1.00 . A A . 6 TRP O 1 1 6 1452 1 1 7 LYS C C 11.460 -2.499 1.023 1.00 . A A . 7 LYS C 1 1 6 1453 1 1 7 LYS CA C 11.639 -2.451 -0.491 1.00 . A A . 7 LYS CA 1 1 6 1454 1 1 7 LYS CB C 11.636 -0.998 -0.970 1.00 . A A . 7 LYS CB 1 1 6 1455 1 1 7 LYS CD C 13.415 -1.487 -2.674 1.00 . A A . 7 LYS CD 1 1 6 1456 1 1 7 LYS CE C 14.487 -0.942 -1.743 1.00 . A A . 7 LYS CE 1 1 6 1457 1 1 7 LYS CG C 12.068 -0.832 -2.416 1.00 . A A . 7 LYS CG 1 1 6 1458 1 1 7 LYS H H 9.652 -2.979 -0.992 1.00 . A A . 7 LYS H 1 1 6 1459 1 1 7 LYS HA H 12.587 -2.903 -0.744 1.00 . A A . 7 LYS HA 1 1 6 1460 1 1 7 LYS HB2 H 10.638 -0.600 -0.866 1.00 . A A . 7 LYS HB2 1 1 6 1461 1 1 7 LYS HB3 H 12.308 -0.425 -0.347 1.00 . A A . 7 LYS HB3 1 1 6 1462 1 1 7 LYS HD2 H 13.324 -2.551 -2.516 1.00 . A A . 7 LYS HD2 1 1 6 1463 1 1 7 LYS HD3 H 13.708 -1.297 -3.697 1.00 . A A . 7 LYS HD3 1 1 6 1464 1 1 7 LYS HE2 H 14.218 0.061 -1.454 1.00 . A A . 7 LYS HE2 1 1 6 1465 1 1 7 LYS HE3 H 14.535 -1.569 -0.864 1.00 . A A . 7 LYS HE3 1 1 6 1466 1 1 7 LYS HG2 H 11.330 -1.289 -3.057 1.00 . A A . 7 LYS HG2 1 1 6 1467 1 1 7 LYS HG3 H 12.142 0.222 -2.642 1.00 . A A . 7 LYS HG3 1 1 6 1468 1 1 7 LYS HZ1 H 15.724 -0.747 -3.415 1.00 . A A . 7 LYS HZ1 1 1 6 1469 1 1 7 LYS HZ2 H 16.311 -1.825 -2.251 1.00 . A A . 7 LYS HZ2 1 1 6 1470 1 1 7 LYS HZ3 H 16.408 -0.159 -1.984 1.00 . A A . 7 LYS HZ3 1 1 6 1471 1 1 7 LYS N N 10.589 -3.208 -1.164 1.00 . A A . 7 LYS N 1 1 6 1472 1 1 7 LYS NZ N 15.827 -0.917 -2.394 1.00 . A A . 7 LYS NZ 1 1 6 1473 1 1 7 LYS O O 10.415 -2.115 1.546 1.00 . A A . 7 LYS O 1 1 6 1474 1 1 8 ARG C C 12.519 -1.689 3.816 1.00 . A A . 8 ARG C 1 1 6 1475 1 1 8 ARG CA C 12.442 -3.072 3.175 1.00 . A A . 8 ARG CA 1 1 6 1476 1 1 8 ARG CB C 13.590 -3.945 3.685 1.00 . A A . 8 ARG CB 1 1 6 1477 1 1 8 ARG CD C 15.689 -4.597 2.464 1.00 . A A . 8 ARG CD 1 1 6 1478 1 1 8 ARG CG C 14.960 -3.489 3.208 1.00 . A A . 8 ARG CG 1 1 6 1479 1 1 8 ARG CZ C 17.782 -4.952 3.703 1.00 . A A . 8 ARG CZ 1 1 6 1480 1 1 8 ARG H H 13.294 -3.265 1.247 1.00 . A A . 8 ARG H 1 1 6 1481 1 1 8 ARG HA H 11.504 -3.530 3.448 1.00 . A A . 8 ARG HA 1 1 6 1482 1 1 8 ARG HB2 H 13.585 -3.932 4.764 1.00 . A A . 8 ARG HB2 1 1 6 1483 1 1 8 ARG HB3 H 13.434 -4.957 3.344 1.00 . A A . 8 ARG HB3 1 1 6 1484 1 1 8 ARG HD2 H 15.350 -5.549 2.843 1.00 . A A . 8 ARG HD2 1 1 6 1485 1 1 8 ARG HD3 H 15.451 -4.522 1.414 1.00 . A A . 8 ARG HD3 1 1 6 1486 1 1 8 ARG HE H 17.652 -4.094 1.907 1.00 . A A . 8 ARG HE 1 1 6 1487 1 1 8 ARG HG2 H 14.838 -2.645 2.547 1.00 . A A . 8 ARG HG2 1 1 6 1488 1 1 8 ARG HG3 H 15.548 -3.194 4.066 1.00 . A A . 8 ARG HG3 1 1 6 1489 1 1 8 ARG HH11 H 16.118 -5.605 4.642 1.00 . A A . 8 ARG HH11 1 1 6 1490 1 1 8 ARG HH12 H 17.600 -5.850 5.504 1.00 . A A . 8 ARG HH12 1 1 6 1491 1 1 8 ARG HH21 H 19.586 -5.169 4.589 1.00 . A A . 8 ARG HH21 1 1 6 1492 1 1 8 ARG HH22 H 19.611 -4.411 3.032 1.00 . A A . 8 ARG HH22 1 1 6 1493 1 1 8 ARG N N 12.487 -2.973 1.721 1.00 . A A . 8 ARG N 1 1 6 1494 1 1 8 ARG NE N 17.137 -4.507 2.631 1.00 . A A . 8 ARG NE 1 1 6 1495 1 1 8 ARG NH1 N 17.111 -5.514 4.699 1.00 . A A . 8 ARG NH1 1 1 6 1496 1 1 8 ARG NH2 N 19.101 -4.835 3.781 1.00 . A A . 8 ARG NH2 1 1 6 1497 1 1 8 ARG O O 12.375 -1.547 5.030 1.00 . A A . 8 ARG O 1 1 6 1498 1 1 9 LYS C C 11.464 1.358 3.516 1.00 . A A . 9 LYS C 1 1 6 1499 1 1 9 LYS CA C 12.841 0.700 3.475 1.00 . A A . 9 LYS CA 1 1 6 1500 1 1 9 LYS CB C 13.781 1.514 2.583 1.00 . A A . 9 LYS CB 1 1 6 1501 1 1 9 LYS CD C 15.947 1.292 1.331 1.00 . A A . 9 LYS CD 1 1 6 1502 1 1 9 LYS CE C 17.422 0.936 1.429 1.00 . A A . 9 LYS CE 1 1 6 1503 1 1 9 LYS CG C 15.228 1.056 2.648 1.00 . A A . 9 LYS CG 1 1 6 1504 1 1 9 LYS H H 12.851 -0.848 2.032 1.00 . A A . 9 LYS H 1 1 6 1505 1 1 9 LYS HA H 13.243 0.672 4.476 1.00 . A A . 9 LYS HA 1 1 6 1506 1 1 9 LYS HB2 H 13.445 1.434 1.559 1.00 . A A . 9 LYS HB2 1 1 6 1507 1 1 9 LYS HB3 H 13.739 2.550 2.887 1.00 . A A . 9 LYS HB3 1 1 6 1508 1 1 9 LYS HD2 H 15.491 0.680 0.567 1.00 . A A . 9 LYS HD2 1 1 6 1509 1 1 9 LYS HD3 H 15.854 2.335 1.062 1.00 . A A . 9 LYS HD3 1 1 6 1510 1 1 9 LYS HE2 H 17.733 1.028 2.459 1.00 . A A . 9 LYS HE2 1 1 6 1511 1 1 9 LYS HE3 H 17.555 -0.085 1.104 1.00 . A A . 9 LYS HE3 1 1 6 1512 1 1 9 LYS HG2 H 15.735 1.607 3.427 1.00 . A A . 9 LYS HG2 1 1 6 1513 1 1 9 LYS HG3 H 15.252 0.001 2.877 1.00 . A A . 9 LYS HG3 1 1 6 1514 1 1 9 LYS HZ1 H 18.524 2.682 1.117 1.00 . A A . 9 LYS HZ1 1 1 6 1515 1 1 9 LYS HZ2 H 17.745 2.107 -0.270 1.00 . A A . 9 LYS HZ2 1 1 6 1516 1 1 9 LYS HZ3 H 19.135 1.333 0.302 1.00 . A A . 9 LYS HZ3 1 1 6 1517 1 1 9 LYS N N 12.745 -0.672 2.991 1.00 . A A . 9 LYS N 1 1 6 1518 1 1 9 LYS NZ N 18.266 1.827 0.587 1.00 . A A . 9 LYS NZ 1 1 6 1519 1 1 9 LYS O O 10.605 0.972 4.308 1.00 . A A . 9 LYS O 1 1 6 1520 1 1 10 CYS C C 9.401 2.999 1.191 1.00 . A A . 10 CYS C 1 1 6 1521 1 1 10 CYS CA C 9.993 3.064 2.596 1.00 . A A . 10 CYS CA 1 1 6 1522 1 1 10 CYS CB C 10.180 4.523 3.017 1.00 . A A . 10 CYS CB 1 1 6 1523 1 1 10 CYS H H 11.988 2.615 2.051 1.00 . A A . 10 CYS H 1 1 6 1524 1 1 10 CYS HA H 9.312 2.584 3.283 1.00 . A A . 10 CYS HA 1 1 6 1525 1 1 10 CYS HB2 H 11.231 4.766 2.988 1.00 . A A . 10 CYS HB2 1 1 6 1526 1 1 10 CYS HB3 H 9.651 5.159 2.324 1.00 . A A . 10 CYS HB3 1 1 6 1527 1 1 10 CYS HG H 9.035 3.791 5.174 1.00 . A A . 10 CYS HG 1 1 6 1528 1 1 10 CYS N N 11.264 2.353 2.658 1.00 . A A . 10 CYS N 1 1 6 1529 1 1 10 CYS O O 8.374 2.364 0.952 1.00 . A A . 10 CYS O 1 1 6 1530 1 1 10 CYS SG S 9.577 4.893 4.680 1.00 . A A . 10 CYS SG 1 1 6 1531 1 1 11 PRO C C 9.791 2.363 -1.854 1.00 . A A . 11 PRO C 1 1 6 1532 1 1 11 PRO CA C 9.620 3.709 -1.158 1.00 . A A . 11 PRO CA 1 1 6 1533 1 1 11 PRO CB C 10.534 4.760 -1.793 1.00 . A A . 11 PRO CB 1 1 6 1534 1 1 11 PRO CD C 11.294 4.453 0.452 1.00 . A A . 11 PRO CD 1 1 6 1535 1 1 11 PRO CG C 11.758 4.759 -0.945 1.00 . A A . 11 PRO CG 1 1 6 1536 1 1 11 PRO HA H 8.591 4.028 -1.241 1.00 . A A . 11 PRO HA 1 1 6 1537 1 1 11 PRO HB2 H 10.759 4.476 -2.812 1.00 . A A . 11 PRO HB2 1 1 6 1538 1 1 11 PRO HB3 H 10.045 5.722 -1.780 1.00 . A A . 11 PRO HB3 1 1 6 1539 1 1 11 PRO HD2 H 12.035 3.867 0.976 1.00 . A A . 11 PRO HD2 1 1 6 1540 1 1 11 PRO HD3 H 11.083 5.365 0.989 1.00 . A A . 11 PRO HD3 1 1 6 1541 1 1 11 PRO HG2 H 12.443 3.998 -1.288 1.00 . A A . 11 PRO HG2 1 1 6 1542 1 1 11 PRO HG3 H 12.228 5.732 -0.977 1.00 . A A . 11 PRO HG3 1 1 6 1543 1 1 11 PRO N N 10.063 3.673 0.239 1.00 . A A . 11 PRO N 1 1 6 1544 1 1 11 PRO O O 10.674 1.579 -1.506 1.00 . A A . 11 PRO O 1 1 6 1545 1 1 12 LEU C C 9.950 0.965 -4.774 1.00 . A A . 12 LEU C 1 1 6 1546 1 1 12 LEU CA C 8.997 0.849 -3.588 1.00 . A A . 12 LEU CA 1 1 6 1547 1 1 12 LEU CB C 7.602 0.459 -4.076 1.00 . A A . 12 LEU CB 1 1 6 1548 1 1 12 LEU CD1 C 5.680 1.254 -5.475 1.00 . A A . 12 LEU CD1 1 1 6 1549 1 1 12 LEU CD2 C 5.875 1.987 -3.092 1.00 . A A . 12 LEU CD2 1 1 6 1550 1 1 12 LEU CG C 6.640 1.616 -4.353 1.00 . A A . 12 LEU CG 1 1 6 1551 1 1 12 LEU H H 8.258 2.764 -3.073 1.00 . A A . 12 LEU H 1 1 6 1552 1 1 12 LEU HA H 9.365 0.082 -2.921 1.00 . A A . 12 LEU HA 1 1 6 1553 1 1 12 LEU HB2 H 7.716 -0.101 -4.992 1.00 . A A . 12 LEU HB2 1 1 6 1554 1 1 12 LEU HB3 H 7.153 -0.172 -3.322 1.00 . A A . 12 LEU HB3 1 1 6 1555 1 1 12 LEU HD11 H 5.964 1.776 -6.375 1.00 . A A . 12 LEU HD11 1 1 6 1556 1 1 12 LEU HD12 H 4.676 1.539 -5.195 1.00 . A A . 12 LEU HD12 1 1 6 1557 1 1 12 LEU HD13 H 5.714 0.188 -5.649 1.00 . A A . 12 LEU HD13 1 1 6 1558 1 1 12 LEU HD21 H 5.220 1.174 -2.816 1.00 . A A . 12 LEU HD21 1 1 6 1559 1 1 12 LEU HD22 H 5.290 2.877 -3.275 1.00 . A A . 12 LEU HD22 1 1 6 1560 1 1 12 LEU HD23 H 6.573 2.175 -2.289 1.00 . A A . 12 LEU HD23 1 1 6 1561 1 1 12 LEU HG H 7.209 2.480 -4.668 1.00 . A A . 12 LEU HG 1 1 6 1562 1 1 12 LEU N N 8.941 2.101 -2.841 1.00 . A A . 12 LEU N 1 1 6 1563 1 1 12 LEU O O 11.158 0.772 -4.635 1.00 . A A . 12 LEU O 1 1 6 1564 1 1 13 PHE C C 10.495 2.896 -7.435 1.00 . A A . 13 PHE C 1 1 6 1565 1 1 13 PHE CA C 10.198 1.427 -7.151 1.00 . A A . 13 PHE CA 1 1 6 1566 1 1 13 PHE CB C 9.473 0.802 -8.344 1.00 . A A . 13 PHE CB 1 1 6 1567 1 1 13 PHE CD1 C 7.864 -0.858 -7.366 1.00 . A A . 13 PHE CD1 1 1 6 1568 1 1 13 PHE CD2 C 9.737 -1.682 -8.591 1.00 . A A . 13 PHE CD2 1 1 6 1569 1 1 13 PHE CE1 C 7.439 -2.152 -7.136 1.00 . A A . 13 PHE CE1 1 1 6 1570 1 1 13 PHE CE2 C 9.317 -2.979 -8.365 1.00 . A A . 13 PHE CE2 1 1 6 1571 1 1 13 PHE CG C 9.015 -0.608 -8.095 1.00 . A A . 13 PHE CG 1 1 6 1572 1 1 13 PHE CZ C 8.167 -3.215 -7.636 1.00 . A A . 13 PHE CZ 1 1 6 1573 1 1 13 PHE H H 8.429 1.424 -5.988 1.00 . A A . 13 PHE H 1 1 6 1574 1 1 13 PHE HA H 11.130 0.907 -6.994 1.00 . A A . 13 PHE HA 1 1 6 1575 1 1 13 PHE HB2 H 8.602 1.395 -8.579 1.00 . A A . 13 PHE HB2 1 1 6 1576 1 1 13 PHE HB3 H 10.138 0.791 -9.195 1.00 . A A . 13 PHE HB3 1 1 6 1577 1 1 13 PHE HD1 H 7.294 -0.027 -6.975 1.00 . A A . 13 PHE HD1 1 1 6 1578 1 1 13 PHE HD2 H 10.636 -1.499 -9.161 1.00 . A A . 13 PHE HD2 1 1 6 1579 1 1 13 PHE HE1 H 6.541 -2.333 -6.566 1.00 . A A . 13 PHE HE1 1 1 6 1580 1 1 13 PHE HE2 H 9.888 -3.807 -8.755 1.00 . A A . 13 PHE HE2 1 1 6 1581 1 1 13 PHE HZ H 7.838 -4.227 -7.457 1.00 . A A . 13 PHE HZ 1 1 6 1582 1 1 13 PHE N N 9.398 1.283 -5.940 1.00 . A A . 13 PHE N 1 1 6 1583 1 1 13 PHE O O 11.117 3.583 -6.626 1.00 . A A . 13 PHE O 1 1 6 1584 1 1 14 GLY C C 8.982 5.502 -9.239 1.00 . A A . 14 GLY C 1 1 6 1585 1 1 14 GLY CA C 10.273 4.756 -8.965 1.00 . A A . 14 GLY CA 1 1 6 1586 1 1 14 GLY H H 9.555 2.778 -9.199 1.00 . A A . 14 GLY H 1 1 6 1587 1 1 14 GLY HA2 H 10.800 5.251 -8.162 1.00 . A A . 14 GLY HA2 1 1 6 1588 1 1 14 GLY HA3 H 10.886 4.782 -9.854 1.00 . A A . 14 GLY HA3 1 1 6 1589 1 1 14 GLY N N 10.045 3.372 -8.593 1.00 . A A . 14 GLY N 1 1 6 1590 1 1 14 GLY O O 9.001 6.673 -9.621 1.00 . A A . 14 GLY O 1 1 6 1591 1 1 15 LYS C C 6.125 6.277 -8.080 1.00 . A A . 15 LYS C 1 1 6 1592 1 1 15 LYS CA C 6.549 5.428 -9.275 1.00 . A A . 15 LYS CA 1 1 6 1593 1 1 15 LYS CB C 5.502 4.345 -9.543 1.00 . A A . 15 LYS CB 1 1 6 1594 1 1 15 LYS CD C 6.277 1.956 -9.562 1.00 . A A . 15 LYS CD 1 1 6 1595 1 1 15 LYS CE C 5.060 1.043 -9.528 1.00 . A A . 15 LYS CE 1 1 6 1596 1 1 15 LYS CG C 6.018 3.199 -10.396 1.00 . A A . 15 LYS CG 1 1 6 1597 1 1 15 LYS H H 7.905 3.893 -8.741 1.00 . A A . 15 LYS H 1 1 6 1598 1 1 15 LYS HA H 6.626 6.065 -10.144 1.00 . A A . 15 LYS HA 1 1 6 1599 1 1 15 LYS HB2 H 5.170 3.941 -8.597 1.00 . A A . 15 LYS HB2 1 1 6 1600 1 1 15 LYS HB3 H 4.660 4.792 -10.050 1.00 . A A . 15 LYS HB3 1 1 6 1601 1 1 15 LYS HD2 H 7.107 1.412 -9.988 1.00 . A A . 15 LYS HD2 1 1 6 1602 1 1 15 LYS HD3 H 6.521 2.254 -8.552 1.00 . A A . 15 LYS HD3 1 1 6 1603 1 1 15 LYS HE2 H 5.253 0.233 -8.841 1.00 . A A . 15 LYS HE2 1 1 6 1604 1 1 15 LYS HE3 H 4.210 1.613 -9.181 1.00 . A A . 15 LYS HE3 1 1 6 1605 1 1 15 LYS HG2 H 5.282 2.966 -11.151 1.00 . A A . 15 LYS HG2 1 1 6 1606 1 1 15 LYS HG3 H 6.941 3.502 -10.870 1.00 . A A . 15 LYS HG3 1 1 6 1607 1 1 15 LYS HZ1 H 4.168 -0.375 -10.773 1.00 . A A . 15 LYS HZ1 1 1 6 1608 1 1 15 LYS HZ2 H 5.632 0.233 -11.365 1.00 . A A . 15 LYS HZ2 1 1 6 1609 1 1 15 LYS HZ3 H 4.231 1.179 -11.440 1.00 . A A . 15 LYS HZ3 1 1 6 1610 1 1 15 LYS N N 7.856 4.824 -9.046 1.00 . A A . 15 LYS N 1 1 6 1611 1 1 15 LYS NZ N 4.750 0.480 -10.870 1.00 . A A . 15 LYS NZ 1 1 6 1612 1 1 15 LYS O O 6.094 7.504 -8.158 1.00 . A A . 15 LYS O 1 1 6 1613 1 1 16 GLY C C 6.275 6.026 -4.589 1.00 . A A . 16 GLY C 1 1 6 1614 1 1 16 GLY CA C 5.384 6.323 -5.779 1.00 . A A . 16 GLY CA 1 1 6 1615 1 1 16 GLY H H 5.843 4.633 -6.971 1.00 . A A . 16 GLY H 1 1 6 1616 1 1 16 GLY HA2 H 5.406 7.384 -5.978 1.00 . A A . 16 GLY HA2 1 1 6 1617 1 1 16 GLY HA3 H 4.371 6.032 -5.537 1.00 . A A . 16 GLY HA3 1 1 6 1618 1 1 16 GLY N N 5.800 5.612 -6.975 1.00 . A A . 16 GLY N 1 1 6 1619 1 1 16 GLY O O 7.444 6.408 -4.571 1.00 . A A . 16 GLY O 1 1 6 1620 1 1 17 GLY C C 6.705 6.207 -1.500 1.00 . A A . 17 GLY C 1 1 6 1621 1 1 17 GLY CA C 6.487 5.011 -2.405 1.00 . A A . 17 GLY CA 1 1 6 1622 1 1 17 GLY H H 4.783 5.066 -3.661 1.00 . A A . 17 GLY H 1 1 6 1623 1 1 17 GLY HA2 H 5.960 4.247 -1.853 1.00 . A A . 17 GLY HA2 1 1 6 1624 1 1 17 GLY HA3 H 7.448 4.624 -2.708 1.00 . A A . 17 GLY HA3 1 1 6 1625 1 1 17 GLY N N 5.720 5.345 -3.591 1.00 . A A . 17 GLY N 1 1 6 1626 1 1 17 GLY O O 6.243 7.310 -1.796 1.00 . A A . 17 GLY O 1 1 7 1627 1 1 1 PTL C1 C 2.327 -1.525 -1.853 1.00 . A A . 1 PTL C1 1 1 7 1628 1 1 1 PTL C2 C 1.426 -0.295 -1.847 1.00 . A A . 1 PTL C2 1 1 7 1629 1 1 1 PTL C3 C 2.253 0.956 -1.546 1.00 . A A . 1 PTL C3 1 1 7 1630 1 1 1 PTL C4 C 2.803 0.995 -0.130 1.00 . A A . 1 PTL C4 1 1 7 1631 1 1 1 PTL C5 C 2.431 2.251 0.602 1.00 . A A . 1 PTL C5 1 1 7 1632 1 1 1 PTL H21 H 0.646 -0.407 -1.094 1.00 . A A . 1 PTL H21 1 1 7 1633 1 1 1 PTL H22 H 0.974 -0.190 -2.823 1.00 . A A . 1 PTL H22 1 1 7 1634 1 1 1 PTL H31 H 3.085 0.999 -2.234 1.00 . A A . 1 PTL H31 1 1 7 1635 1 1 1 PTL H32 H 1.632 1.829 -1.691 1.00 . A A . 1 PTL H32 1 1 7 1636 1 1 1 PTL H41 H 2.415 0.149 0.416 1.00 . A A . 1 PTL H41 1 1 7 1637 1 1 1 PTL H42 H 3.881 0.927 -0.176 1.00 . A A . 1 PTL H42 1 1 7 1638 1 1 1 PTL H51 H 1.345 2.328 0.663 1.00 . A A . 1 PTL H51 1 1 7 1639 1 1 1 PTL H52 H 2.827 3.115 0.067 1.00 . A A . 1 PTL H52 1 1 7 1640 1 1 1 PTL H53 H 2.850 2.224 1.608 1.00 . A A . 1 PTL H53 1 1 7 1641 1 1 1 PTL O1 O 2.301 -2.331 -0.922 1.00 . A A . 1 PTL O1 1 1 7 1642 1 1 2 VAL C C 5.293 -2.585 -2.196 1.00 . A A . 2 VAL C 1 1 7 1643 1 1 2 VAL CA C 4.036 -2.797 -3.032 1.00 . A A . 2 VAL CA 1 1 7 1644 1 1 2 VAL CB C 4.442 -3.030 -4.499 1.00 . A A . 2 VAL CB 1 1 7 1645 1 1 2 VAL CG1 C 5.209 -4.336 -4.639 1.00 . A A . 2 VAL CG1 1 1 7 1646 1 1 2 VAL CG2 C 3.214 -3.025 -5.398 1.00 . A A . 2 VAL CG2 1 1 7 1647 1 1 2 VAL H H 3.102 -0.989 -3.616 1.00 . A A . 2 VAL H 1 1 7 1648 1 1 2 VAL HA H 3.523 -3.678 -2.677 1.00 . A A . 2 VAL HA 1 1 7 1649 1 1 2 VAL HB H 5.091 -2.223 -4.805 1.00 . A A . 2 VAL HB 1 1 7 1650 1 1 2 VAL HG11 H 6.265 -4.125 -4.732 1.00 . A A . 2 VAL HG11 1 1 7 1651 1 1 2 VAL HG12 H 5.039 -4.950 -3.766 1.00 . A A . 2 VAL HG12 1 1 7 1652 1 1 2 VAL HG13 H 4.869 -4.860 -5.520 1.00 . A A . 2 VAL HG13 1 1 7 1653 1 1 2 VAL HG21 H 2.497 -3.743 -5.032 1.00 . A A . 2 VAL HG21 1 1 7 1654 1 1 2 VAL HG22 H 2.772 -2.040 -5.395 1.00 . A A . 2 VAL HG22 1 1 7 1655 1 1 2 VAL HG23 H 3.504 -3.285 -6.405 1.00 . A A . 2 VAL HG23 1 1 7 1656 1 1 2 VAL N N 3.126 -1.664 -2.906 1.00 . A A . 2 VAL N 1 1 7 1657 1 1 2 VAL O O 6.132 -3.479 -2.080 1.00 . A A . 2 VAL O 1 1 7 1658 1 1 3 ALA C C 6.679 -2.016 0.406 1.00 . A A . 3 ALA C 1 1 7 1659 1 1 3 ALA CA C 6.572 -1.069 -0.785 1.00 . A A . 3 ALA CA 1 1 7 1660 1 1 3 ALA CB C 6.488 0.373 -0.309 1.00 . A A . 3 ALA CB 1 1 7 1661 1 1 3 ALA H H 4.716 -0.726 -1.742 1.00 . A A . 3 ALA H 1 1 7 1662 1 1 3 ALA HA H 7.458 -1.170 -1.394 1.00 . A A . 3 ALA HA 1 1 7 1663 1 1 3 ALA HB1 H 5.763 0.907 -0.906 1.00 . A A . 3 ALA HB1 1 1 7 1664 1 1 3 ALA HB2 H 6.184 0.393 0.728 1.00 . A A . 3 ALA HB2 1 1 7 1665 1 1 3 ALA HB3 H 7.454 0.842 -0.411 1.00 . A A . 3 ALA HB3 1 1 7 1666 1 1 3 ALA N N 5.417 -1.397 -1.613 1.00 . A A . 3 ALA N 1 1 7 1667 1 1 3 ALA O O 7.728 -2.109 1.044 1.00 . A A . 3 ALA O 1 1 7 1668 1 1 4 ARG C C 6.756 -4.600 1.760 1.00 . A A . 4 ARG C 1 1 7 1669 1 1 4 ARG CA C 5.560 -3.654 1.816 1.00 . A A . 4 ARG CA 1 1 7 1670 1 1 4 ARG CB C 4.258 -4.456 1.803 1.00 . A A . 4 ARG CB 1 1 7 1671 1 1 4 ARG CD C 3.321 -3.662 3.995 1.00 . A A . 4 ARG CD 1 1 7 1672 1 1 4 ARG CG C 3.102 -3.753 2.493 1.00 . A A . 4 ARG CG 1 1 7 1673 1 1 4 ARG CZ C 1.175 -2.894 4.918 1.00 . A A . 4 ARG CZ 1 1 7 1674 1 1 4 ARG H H 4.783 -2.598 0.154 1.00 . A A . 4 ARG H 1 1 7 1675 1 1 4 ARG HA H 5.610 -3.082 2.731 1.00 . A A . 4 ARG HA 1 1 7 1676 1 1 4 ARG HB2 H 3.975 -4.644 0.777 1.00 . A A . 4 ARG HB2 1 1 7 1677 1 1 4 ARG HB3 H 4.426 -5.399 2.300 1.00 . A A . 4 ARG HB3 1 1 7 1678 1 1 4 ARG HD2 H 4.027 -4.425 4.288 1.00 . A A . 4 ARG HD2 1 1 7 1679 1 1 4 ARG HD3 H 3.727 -2.688 4.228 1.00 . A A . 4 ARG HD3 1 1 7 1680 1 1 4 ARG HE H 1.916 -4.735 5.132 1.00 . A A . 4 ARG HE 1 1 7 1681 1 1 4 ARG HG2 H 3.009 -2.754 2.093 1.00 . A A . 4 ARG HG2 1 1 7 1682 1 1 4 ARG HG3 H 2.192 -4.303 2.304 1.00 . A A . 4 ARG HG3 1 1 7 1683 1 1 4 ARG HH11 H 2.202 -1.499 3.879 1.00 . A A . 4 ARG HH11 1 1 7 1684 1 1 4 ARG HH12 H 0.688 -0.971 4.535 1.00 . A A . 4 ARG HH12 1 1 7 1685 1 1 4 ARG HH21 H -0.609 -2.424 5.742 1.00 . A A . 4 ARG HH21 1 1 7 1686 1 1 4 ARG HH22 H -0.080 -4.052 6.000 1.00 . A A . 4 ARG HH22 1 1 7 1687 1 1 4 ARG N N 5.589 -2.715 0.700 1.00 . A A . 4 ARG N 1 1 7 1688 1 1 4 ARG NE N 2.081 -3.852 4.742 1.00 . A A . 4 ARG NE 1 1 7 1689 1 1 4 ARG NH1 N 1.372 -1.690 4.401 1.00 . A A . 4 ARG NH1 1 1 7 1690 1 1 4 ARG NH2 N 0.072 -3.143 5.610 1.00 . A A . 4 ARG NH2 1 1 7 1691 1 1 4 ARG O O 7.711 -4.456 2.521 1.00 . A A . 4 ARG O 1 1 7 1692 1 1 5 GLY C C 8.365 -6.539 -0.680 1.00 . A A . 5 GLY C 1 1 7 1693 1 1 5 GLY CA C 7.776 -6.529 0.716 1.00 . A A . 5 GLY CA 1 1 7 1694 1 1 5 GLY H H 5.905 -5.638 0.273 1.00 . A A . 5 GLY H 1 1 7 1695 1 1 5 GLY HA2 H 8.553 -6.280 1.423 1.00 . A A . 5 GLY HA2 1 1 7 1696 1 1 5 GLY HA3 H 7.398 -7.515 0.942 1.00 . A A . 5 GLY HA3 1 1 7 1697 1 1 5 GLY N N 6.693 -5.571 0.854 1.00 . A A . 5 GLY N 1 1 7 1698 1 1 5 GLY O O 8.339 -7.562 -1.364 1.00 . A A . 5 GLY O 1 1 7 1699 1 1 6 TRP C C 10.964 -4.883 -2.330 1.00 . A A . 6 TRP C 1 1 7 1700 1 1 6 TRP CA C 9.496 -5.281 -2.430 1.00 . A A . 6 TRP CA 1 1 7 1701 1 1 6 TRP CB C 8.732 -4.254 -3.266 1.00 . A A . 6 TRP CB 1 1 7 1702 1 1 6 TRP CD1 C 9.546 -2.629 -5.073 1.00 . A A . 6 TRP CD1 1 1 7 1703 1 1 6 TRP CD2 C 10.127 -4.763 -5.425 1.00 . A A . 6 TRP CD2 1 1 7 1704 1 1 6 TRP CE2 C 10.631 -3.980 -6.482 1.00 . A A . 6 TRP CE2 1 1 7 1705 1 1 6 TRP CE3 C 10.369 -6.139 -5.432 1.00 . A A . 6 TRP CE3 1 1 7 1706 1 1 6 TRP CG C 9.436 -3.879 -4.535 1.00 . A A . 6 TRP CG 1 1 7 1707 1 1 6 TRP CH2 C 11.584 -5.880 -7.512 1.00 . A A . 6 TRP CH2 1 1 7 1708 1 1 6 TRP CZ2 C 11.363 -4.530 -7.532 1.00 . A A . 6 TRP CZ2 1 1 7 1709 1 1 6 TRP CZ3 C 11.094 -6.683 -6.474 1.00 . A A . 6 TRP CZ3 1 1 7 1710 1 1 6 TRP H H 8.889 -4.617 -0.512 1.00 . A A . 6 TRP H 1 1 7 1711 1 1 6 TRP HA H 9.428 -6.246 -2.909 1.00 . A A . 6 TRP HA 1 1 7 1712 1 1 6 TRP HB2 H 7.766 -4.659 -3.529 1.00 . A A . 6 TRP HB2 1 1 7 1713 1 1 6 TRP HB3 H 8.595 -3.355 -2.682 1.00 . A A . 6 TRP HB3 1 1 7 1714 1 1 6 TRP HD1 H 9.125 -1.739 -4.633 1.00 . A A . 6 TRP HD1 1 1 7 1715 1 1 6 TRP HE1 H 10.478 -1.915 -6.814 1.00 . A A . 6 TRP HE1 1 1 7 1716 1 1 6 TRP HE3 H 10.000 -6.775 -4.641 1.00 . A A . 6 TRP HE3 1 1 7 1717 1 1 6 TRP HH2 H 12.145 -6.347 -8.307 1.00 . A A . 6 TRP HH2 1 1 7 1718 1 1 6 TRP HZ2 H 11.747 -3.923 -8.339 1.00 . A A . 6 TRP HZ2 1 1 7 1719 1 1 6 TRP HZ3 H 11.291 -7.745 -6.497 1.00 . A A . 6 TRP HZ3 1 1 7 1720 1 1 6 TRP N N 8.898 -5.399 -1.104 1.00 . A A . 6 TRP N 1 1 7 1721 1 1 6 TRP NE1 N 10.264 -2.682 -6.244 1.00 . A A . 6 TRP NE1 1 1 7 1722 1 1 6 TRP O O 11.855 -5.678 -2.632 1.00 . A A . 6 TRP O 1 1 7 1723 1 1 7 LYS C C 12.904 -2.876 -0.300 1.00 . A A . 7 LYS C 1 1 7 1724 1 1 7 LYS CA C 12.573 -3.145 -1.765 1.00 . A A . 7 LYS CA 1 1 7 1725 1 1 7 LYS CB C 12.752 -1.865 -2.584 1.00 . A A . 7 LYS CB 1 1 7 1726 1 1 7 LYS CD C 14.044 -3.128 -4.328 1.00 . A A . 7 LYS CD 1 1 7 1727 1 1 7 LYS CE C 14.480 -3.117 -5.786 1.00 . A A . 7 LYS CE 1 1 7 1728 1 1 7 LYS CG C 12.941 -2.115 -4.070 1.00 . A A . 7 LYS CG 1 1 7 1729 1 1 7 LYS H H 10.460 -3.061 -1.680 1.00 . A A . 7 LYS H 1 1 7 1730 1 1 7 LYS HA H 13.246 -3.900 -2.141 1.00 . A A . 7 LYS HA 1 1 7 1731 1 1 7 LYS HB2 H 11.879 -1.243 -2.452 1.00 . A A . 7 LYS HB2 1 1 7 1732 1 1 7 LYS HB3 H 13.619 -1.335 -2.216 1.00 . A A . 7 LYS HB3 1 1 7 1733 1 1 7 LYS HD2 H 14.894 -2.888 -3.708 1.00 . A A . 7 LYS HD2 1 1 7 1734 1 1 7 LYS HD3 H 13.679 -4.114 -4.078 1.00 . A A . 7 LYS HD3 1 1 7 1735 1 1 7 LYS HE2 H 13.673 -3.500 -6.392 1.00 . A A . 7 LYS HE2 1 1 7 1736 1 1 7 LYS HE3 H 14.695 -2.099 -6.075 1.00 . A A . 7 LYS HE3 1 1 7 1737 1 1 7 LYS HG2 H 12.017 -2.491 -4.483 1.00 . A A . 7 LYS HG2 1 1 7 1738 1 1 7 LYS HG3 H 13.200 -1.182 -4.551 1.00 . A A . 7 LYS HG3 1 1 7 1739 1 1 7 LYS HZ1 H 16.371 -3.442 -6.610 1.00 . A A . 7 LYS HZ1 1 1 7 1740 1 1 7 LYS HZ2 H 15.431 -4.843 -6.476 1.00 . A A . 7 LYS HZ2 1 1 7 1741 1 1 7 LYS HZ3 H 16.147 -4.170 -5.099 1.00 . A A . 7 LYS HZ3 1 1 7 1742 1 1 7 LYS N N 11.211 -3.649 -1.905 1.00 . A A . 7 LYS N 1 1 7 1743 1 1 7 LYS NZ N 15.692 -3.951 -6.009 1.00 . A A . 7 LYS NZ 1 1 7 1744 1 1 7 LYS O O 13.470 -3.728 0.385 1.00 . A A . 7 LYS O 1 1 7 1745 1 1 8 ARG C C 11.506 -1.185 2.341 1.00 . A A . 8 ARG C 1 1 7 1746 1 1 8 ARG CA C 12.809 -1.305 1.556 1.00 . A A . 8 ARG CA 1 1 7 1747 1 1 8 ARG CB C 13.572 0.020 1.607 1.00 . A A . 8 ARG CB 1 1 7 1748 1 1 8 ARG CD C 15.244 0.967 -0.014 1.00 . A A . 8 ARG CD 1 1 7 1749 1 1 8 ARG CG C 14.990 -0.072 1.068 1.00 . A A . 8 ARG CG 1 1 7 1750 1 1 8 ARG CZ C 16.209 3.217 -0.226 1.00 . A A . 8 ARG CZ 1 1 7 1751 1 1 8 ARG H H 12.102 -1.048 -0.422 1.00 . A A . 8 ARG H 1 1 7 1752 1 1 8 ARG HA H 13.417 -2.077 2.004 1.00 . A A . 8 ARG HA 1 1 7 1753 1 1 8 ARG HB2 H 13.035 0.754 1.024 1.00 . A A . 8 ARG HB2 1 1 7 1754 1 1 8 ARG HB3 H 13.621 0.353 2.633 1.00 . A A . 8 ARG HB3 1 1 7 1755 1 1 8 ARG HD2 H 15.889 0.535 -0.764 1.00 . A A . 8 ARG HD2 1 1 7 1756 1 1 8 ARG HD3 H 14.299 1.236 -0.463 1.00 . A A . 8 ARG HD3 1 1 7 1757 1 1 8 ARG HE H 16.060 2.198 1.481 1.00 . A A . 8 ARG HE 1 1 7 1758 1 1 8 ARG HG2 H 15.684 0.093 1.879 1.00 . A A . 8 ARG HG2 1 1 7 1759 1 1 8 ARG HG3 H 15.144 -1.056 0.654 1.00 . A A . 8 ARG HG3 1 1 7 1760 1 1 8 ARG HH11 H 15.540 2.413 -1.954 1.00 . A A . 8 ARG HH11 1 1 7 1761 1 1 8 ARG HH12 H 16.223 3.998 -2.091 1.00 . A A . 8 ARG HH12 1 1 7 1762 1 1 8 ARG HH21 H 17.032 5.063 -0.230 1.00 . A A . 8 ARG HH21 1 1 7 1763 1 1 8 ARG HH22 H 16.962 4.286 1.315 1.00 . A A . 8 ARG HH22 1 1 7 1764 1 1 8 ARG N N 12.549 -1.686 0.173 1.00 . A A . 8 ARG N 1 1 7 1765 1 1 8 ARG NE N 15.876 2.171 0.520 1.00 . A A . 8 ARG NE 1 1 7 1766 1 1 8 ARG NH1 N 15.971 3.209 -1.530 1.00 . A A . 8 ARG NH1 1 1 7 1767 1 1 8 ARG NH2 N 16.781 4.276 0.332 1.00 . A A . 8 ARG NH2 1 1 7 1768 1 1 8 ARG O O 10.836 -2.183 2.607 1.00 . A A . 8 ARG O 1 1 7 1769 1 1 9 LYS C C 9.012 1.244 2.706 1.00 . A A . 9 LYS C 1 1 7 1770 1 1 9 LYS CA C 9.933 0.293 3.464 1.00 . A A . 9 LYS CA 1 1 7 1771 1 1 9 LYS CB C 10.268 0.878 4.838 1.00 . A A . 9 LYS CB 1 1 7 1772 1 1 9 LYS CD C 11.642 2.646 5.977 1.00 . A A . 9 LYS CD 1 1 7 1773 1 1 9 LYS CE C 11.463 2.029 7.356 1.00 . A A . 9 LYS CE 1 1 7 1774 1 1 9 LYS CG C 11.609 1.588 4.886 1.00 . A A . 9 LYS CG 1 1 7 1775 1 1 9 LYS H H 11.732 0.797 2.468 1.00 . A A . 9 LYS H 1 1 7 1776 1 1 9 LYS HA H 9.424 -0.650 3.597 1.00 . A A . 9 LYS HA 1 1 7 1777 1 1 9 LYS HB2 H 9.500 1.585 5.112 1.00 . A A . 9 LYS HB2 1 1 7 1778 1 1 9 LYS HB3 H 10.282 0.076 5.563 1.00 . A A . 9 LYS HB3 1 1 7 1779 1 1 9 LYS HD2 H 12.594 3.155 5.945 1.00 . A A . 9 LYS HD2 1 1 7 1780 1 1 9 LYS HD3 H 10.846 3.355 5.803 1.00 . A A . 9 LYS HD3 1 1 7 1781 1 1 9 LYS HE2 H 10.461 2.235 7.700 1.00 . A A . 9 LYS HE2 1 1 7 1782 1 1 9 LYS HE3 H 11.604 0.961 7.279 1.00 . A A . 9 LYS HE3 1 1 7 1783 1 1 9 LYS HG2 H 12.385 0.862 5.080 1.00 . A A . 9 LYS HG2 1 1 7 1784 1 1 9 LYS HG3 H 11.789 2.063 3.932 1.00 . A A . 9 LYS HG3 1 1 7 1785 1 1 9 LYS HZ1 H 12.962 1.802 8.792 1.00 . A A . 9 LYS HZ1 1 1 7 1786 1 1 9 LYS HZ2 H 11.936 3.117 9.075 1.00 . A A . 9 LYS HZ2 1 1 7 1787 1 1 9 LYS HZ3 H 13.111 3.208 7.861 1.00 . A A . 9 LYS HZ3 1 1 7 1788 1 1 9 LYS N N 11.155 0.042 2.710 1.00 . A A . 9 LYS N 1 1 7 1789 1 1 9 LYS NZ N 12.437 2.576 8.340 1.00 . A A . 9 LYS NZ 1 1 7 1790 1 1 9 LYS O O 8.046 0.816 2.073 1.00 . A A . 9 LYS O 1 1 7 1791 1 1 10 CYS C C 8.629 3.401 0.579 1.00 . A A . 10 CYS C 1 1 7 1792 1 1 10 CYS CA C 8.516 3.548 2.094 1.00 . A A . 10 CYS CA 1 1 7 1793 1 1 10 CYS CB C 8.960 4.949 2.517 1.00 . A A . 10 CYS CB 1 1 7 1794 1 1 10 CYS H H 10.099 2.816 3.295 1.00 . A A . 10 CYS H 1 1 7 1795 1 1 10 CYS HA H 7.486 3.403 2.382 1.00 . A A . 10 CYS HA 1 1 7 1796 1 1 10 CYS HB2 H 9.907 4.877 3.032 1.00 . A A . 10 CYS HB2 1 1 7 1797 1 1 10 CYS HB3 H 9.083 5.561 1.636 1.00 . A A . 10 CYS HB3 1 1 7 1798 1 1 10 CYS HG H 7.497 6.960 3.075 1.00 . A A . 10 CYS HG 1 1 7 1799 1 1 10 CYS N N 9.317 2.536 2.775 1.00 . A A . 10 CYS N 1 1 7 1800 1 1 10 CYS O O 7.653 3.120 -0.115 1.00 . A A . 10 CYS O 1 1 7 1801 1 1 10 CYS SG S 7.798 5.790 3.617 1.00 . A A . 10 CYS SG 1 1 7 1802 1 1 11 PRO C C 10.023 2.059 -1.888 1.00 . A A . 11 PRO C 1 1 7 1803 1 1 11 PRO CA C 10.116 3.495 -1.383 1.00 . A A . 11 PRO CA 1 1 7 1804 1 1 11 PRO CB C 11.549 4.016 -1.514 1.00 . A A . 11 PRO CB 1 1 7 1805 1 1 11 PRO CD C 11.056 3.936 0.824 1.00 . A A . 11 PRO CD 1 1 7 1806 1 1 11 PRO CG C 12.165 3.772 -0.180 1.00 . A A . 11 PRO CG 1 1 7 1807 1 1 11 PRO HA H 9.449 4.121 -1.957 1.00 . A A . 11 PRO HA 1 1 7 1808 1 1 11 PRO HB2 H 12.063 3.471 -2.293 1.00 . A A . 11 PRO HB2 1 1 7 1809 1 1 11 PRO HB3 H 11.533 5.068 -1.755 1.00 . A A . 11 PRO HB3 1 1 7 1810 1 1 11 PRO HD2 H 11.192 3.255 1.650 1.00 . A A . 11 PRO HD2 1 1 7 1811 1 1 11 PRO HD3 H 11.016 4.957 1.176 1.00 . A A . 11 PRO HD3 1 1 7 1812 1 1 11 PRO HG2 H 12.564 2.770 -0.137 1.00 . A A . 11 PRO HG2 1 1 7 1813 1 1 11 PRO HG3 H 12.945 4.497 0.002 1.00 . A A . 11 PRO HG3 1 1 7 1814 1 1 11 PRO N N 9.847 3.598 0.055 1.00 . A A . 11 PRO N 1 1 7 1815 1 1 11 PRO O O 10.482 1.126 -1.228 1.00 . A A . 11 PRO O 1 1 7 1816 1 1 12 LEU C C 10.097 0.443 -4.935 1.00 . A A . 12 LEU C 1 1 7 1817 1 1 12 LEU CA C 9.273 0.564 -3.657 1.00 . A A . 12 LEU CA 1 1 7 1818 1 1 12 LEU CB C 7.799 0.286 -3.959 1.00 . A A . 12 LEU CB 1 1 7 1819 1 1 12 LEU CD1 C 5.740 1.091 -5.141 1.00 . A A . 12 LEU CD1 1 1 7 1820 1 1 12 LEU CD2 C 6.500 2.225 -3.045 1.00 . A A . 12 LEU CD2 1 1 7 1821 1 1 12 LEU CG C 6.944 1.505 -4.310 1.00 . A A . 12 LEU CG 1 1 7 1822 1 1 12 LEU H H 9.080 2.669 -3.542 1.00 . A A . 12 LEU H 1 1 7 1823 1 1 12 LEU HA H 9.629 -0.163 -2.943 1.00 . A A . 12 LEU HA 1 1 7 1824 1 1 12 LEU HB2 H 7.756 -0.398 -4.792 1.00 . A A . 12 LEU HB2 1 1 7 1825 1 1 12 LEU HB3 H 7.367 -0.183 -3.086 1.00 . A A . 12 LEU HB3 1 1 7 1826 1 1 12 LEU HD11 H 6.038 0.971 -6.171 1.00 . A A . 12 LEU HD11 1 1 7 1827 1 1 12 LEU HD12 H 4.978 1.852 -5.073 1.00 . A A . 12 LEU HD12 1 1 7 1828 1 1 12 LEU HD13 H 5.350 0.155 -4.767 1.00 . A A . 12 LEU HD13 1 1 7 1829 1 1 12 LEU HD21 H 5.490 1.931 -2.800 1.00 . A A . 12 LEU HD21 1 1 7 1830 1 1 12 LEU HD22 H 6.534 3.293 -3.208 1.00 . A A . 12 LEU HD22 1 1 7 1831 1 1 12 LEU HD23 H 7.160 1.964 -2.231 1.00 . A A . 12 LEU HD23 1 1 7 1832 1 1 12 LEU HG H 7.535 2.193 -4.898 1.00 . A A . 12 LEU HG 1 1 7 1833 1 1 12 LEU N N 9.426 1.887 -3.063 1.00 . A A . 12 LEU N 1 1 7 1834 1 1 12 LEU O O 11.276 0.089 -4.894 1.00 . A A . 12 LEU O 1 1 7 1835 1 1 13 PHE C C 10.773 2.007 -7.722 1.00 . A A . 13 PHE C 1 1 7 1836 1 1 13 PHE CA C 10.145 0.665 -7.358 1.00 . A A . 13 PHE CA 1 1 7 1837 1 1 13 PHE CB C 9.161 0.237 -8.450 1.00 . A A . 13 PHE CB 1 1 7 1838 1 1 13 PHE CD1 C 7.608 -1.323 -7.246 1.00 . A A . 13 PHE CD1 1 1 7 1839 1 1 13 PHE CD2 C 8.977 -2.207 -8.987 1.00 . A A . 13 PHE CD2 1 1 7 1840 1 1 13 PHE CE1 C 7.062 -2.576 -7.035 1.00 . A A . 13 PHE CE1 1 1 7 1841 1 1 13 PHE CE2 C 8.434 -3.461 -8.780 1.00 . A A . 13 PHE CE2 1 1 7 1842 1 1 13 PHE CG C 8.570 -1.125 -8.223 1.00 . A A . 13 PHE CG 1 1 7 1843 1 1 13 PHE CZ C 7.477 -3.646 -7.803 1.00 . A A . 13 PHE CZ 1 1 7 1844 1 1 13 PHE H H 8.529 1.014 -6.036 1.00 . A A . 13 PHE H 1 1 7 1845 1 1 13 PHE HA H 10.927 -0.075 -7.280 1.00 . A A . 13 PHE HA 1 1 7 1846 1 1 13 PHE HB2 H 8.350 0.947 -8.490 1.00 . A A . 13 PHE HB2 1 1 7 1847 1 1 13 PHE HB3 H 9.673 0.225 -9.400 1.00 . A A . 13 PHE HB3 1 1 7 1848 1 1 13 PHE HD1 H 7.283 -0.487 -6.644 1.00 . A A . 13 PHE HD1 1 1 7 1849 1 1 13 PHE HD2 H 9.727 -2.064 -9.751 1.00 . A A . 13 PHE HD2 1 1 7 1850 1 1 13 PHE HE1 H 6.314 -2.716 -6.270 1.00 . A A . 13 PHE HE1 1 1 7 1851 1 1 13 PHE HE2 H 8.761 -4.297 -9.382 1.00 . A A . 13 PHE HE2 1 1 7 1852 1 1 13 PHE HZ H 7.051 -4.626 -7.640 1.00 . A A . 13 PHE HZ 1 1 7 1853 1 1 13 PHE N N 9.470 0.739 -6.068 1.00 . A A . 13 PHE N 1 1 7 1854 1 1 13 PHE O O 11.877 2.327 -7.284 1.00 . A A . 13 PHE O 1 1 7 1855 1 1 14 GLY C C 9.606 5.212 -8.598 1.00 . A A . 14 GLY C 1 1 7 1856 1 1 14 GLY CA C 10.563 4.086 -8.938 1.00 . A A . 14 GLY CA 1 1 7 1857 1 1 14 GLY H H 9.186 2.481 -8.845 1.00 . A A . 14 GLY H 1 1 7 1858 1 1 14 GLY HA2 H 11.505 4.268 -8.444 1.00 . A A . 14 GLY HA2 1 1 7 1859 1 1 14 GLY HA3 H 10.724 4.077 -10.006 1.00 . A A . 14 GLY HA3 1 1 7 1860 1 1 14 GLY N N 10.060 2.789 -8.528 1.00 . A A . 14 GLY N 1 1 7 1861 1 1 14 GLY O O 9.993 6.381 -8.575 1.00 . A A . 14 GLY O 1 1 7 1862 1 1 15 LYS C C 7.635 6.499 -6.650 1.00 . A A . 15 LYS C 1 1 7 1863 1 1 15 LYS CA C 7.335 5.850 -7.998 1.00 . A A . 15 LYS CA 1 1 7 1864 1 1 15 LYS CB C 5.951 5.199 -7.964 1.00 . A A . 15 LYS CB 1 1 7 1865 1 1 15 LYS CD C 5.884 2.691 -8.106 1.00 . A A . 15 LYS CD 1 1 7 1866 1 1 15 LYS CE C 4.516 2.027 -8.117 1.00 . A A . 15 LYS CE 1 1 7 1867 1 1 15 LYS CG C 5.910 3.897 -7.182 1.00 . A A . 15 LYS CG 1 1 7 1868 1 1 15 LYS H H 8.103 3.914 -8.371 1.00 . A A . 15 LYS H 1 1 7 1869 1 1 15 LYS HA H 7.346 6.613 -8.761 1.00 . A A . 15 LYS HA 1 1 7 1870 1 1 15 LYS HB2 H 5.252 5.888 -7.512 1.00 . A A . 15 LYS HB2 1 1 7 1871 1 1 15 LYS HB3 H 5.638 4.995 -8.978 1.00 . A A . 15 LYS HB3 1 1 7 1872 1 1 15 LYS HD2 H 6.123 3.013 -9.110 1.00 . A A . 15 LYS HD2 1 1 7 1873 1 1 15 LYS HD3 H 6.620 1.975 -7.771 1.00 . A A . 15 LYS HD3 1 1 7 1874 1 1 15 LYS HE2 H 4.548 1.157 -7.479 1.00 . A A . 15 LYS HE2 1 1 7 1875 1 1 15 LYS HE3 H 3.788 2.726 -7.735 1.00 . A A . 15 LYS HE3 1 1 7 1876 1 1 15 LYS HG2 H 6.786 3.837 -6.555 1.00 . A A . 15 LYS HG2 1 1 7 1877 1 1 15 LYS HG3 H 5.022 3.886 -6.566 1.00 . A A . 15 LYS HG3 1 1 7 1878 1 1 15 LYS HZ1 H 4.814 0.945 -9.880 1.00 . A A . 15 LYS HZ1 1 1 7 1879 1 1 15 LYS HZ2 H 4.052 2.438 -10.112 1.00 . A A . 15 LYS HZ2 1 1 7 1880 1 1 15 LYS HZ3 H 3.186 1.140 -9.461 1.00 . A A . 15 LYS HZ3 1 1 7 1881 1 1 15 LYS N N 8.351 4.862 -8.336 1.00 . A A . 15 LYS N 1 1 7 1882 1 1 15 LYS NZ N 4.114 1.608 -9.488 1.00 . A A . 15 LYS NZ 1 1 7 1883 1 1 15 LYS O O 8.698 7.088 -6.456 1.00 . A A . 15 LYS O 1 1 7 1884 1 1 16 GLY C C 6.766 5.936 -3.295 1.00 . A A . 16 GLY C 1 1 7 1885 1 1 16 GLY CA C 6.876 6.966 -4.402 1.00 . A A . 16 GLY CA 1 1 7 1886 1 1 16 GLY H H 5.864 5.906 -5.930 1.00 . A A . 16 GLY H 1 1 7 1887 1 1 16 GLY HA2 H 7.852 7.426 -4.356 1.00 . A A . 16 GLY HA2 1 1 7 1888 1 1 16 GLY HA3 H 6.123 7.725 -4.247 1.00 . A A . 16 GLY HA3 1 1 7 1889 1 1 16 GLY N N 6.691 6.387 -5.720 1.00 . A A . 16 GLY N 1 1 7 1890 1 1 16 GLY O O 7.723 5.217 -3.010 1.00 . A A . 16 GLY O 1 1 7 1891 1 1 17 GLY C C 4.480 5.457 -0.506 1.00 . A A . 17 GLY C 1 1 7 1892 1 1 17 GLY CA C 5.386 4.914 -1.593 1.00 . A A . 17 GLY CA 1 1 7 1893 1 1 17 GLY H H 4.868 6.464 -2.938 1.00 . A A . 17 GLY H 1 1 7 1894 1 1 17 GLY HA2 H 4.945 4.017 -2.000 1.00 . A A . 17 GLY HA2 1 1 7 1895 1 1 17 GLY HA3 H 6.343 4.666 -1.156 1.00 . A A . 17 GLY HA3 1 1 7 1896 1 1 17 GLY N N 5.596 5.865 -2.668 1.00 . A A . 17 GLY N 1 1 7 1897 1 1 17 GLY O O 3.261 5.506 -0.673 1.00 . A A . 17 GLY O 1 1 8 1898 1 1 1 PTL C1 C 3.006 -2.367 -0.159 1.00 . A A . 1 PTL C1 1 1 8 1899 1 1 1 PTL C2 C 2.083 -1.357 0.514 1.00 . A A . 1 PTL C2 1 1 8 1900 1 1 1 PTL C3 C 2.644 0.056 0.343 1.00 . A A . 1 PTL C3 1 1 8 1901 1 1 1 PTL C4 C 1.809 1.128 1.025 1.00 . A A . 1 PTL C4 1 1 8 1902 1 1 1 PTL C5 C 2.644 2.120 1.779 1.00 . A A . 1 PTL C5 1 1 8 1903 1 1 1 PTL H21 H 1.957 -1.590 1.571 1.00 . A A . 1 PTL H21 1 1 8 1904 1 1 1 PTL H22 H 1.111 -1.407 0.045 1.00 . A A . 1 PTL H22 1 1 8 1905 1 1 1 PTL H31 H 3.639 0.088 0.760 1.00 . A A . 1 PTL H31 1 1 8 1906 1 1 1 PTL H32 H 2.694 0.287 -0.709 1.00 . A A . 1 PTL H32 1 1 8 1907 1 1 1 PTL H41 H 1.240 1.656 0.274 1.00 . A A . 1 PTL H41 1 1 8 1908 1 1 1 PTL H42 H 1.130 0.650 1.716 1.00 . A A . 1 PTL H42 1 1 8 1909 1 1 1 PTL H51 H 3.216 1.601 2.550 1.00 . A A . 1 PTL H51 1 1 8 1910 1 1 1 PTL H52 H 1.995 2.861 2.246 1.00 . A A . 1 PTL H52 1 1 8 1911 1 1 1 PTL H53 H 3.328 2.617 1.093 1.00 . A A . 1 PTL H53 1 1 8 1912 1 1 1 PTL O1 O 3.464 -3.320 0.470 1.00 . A A . 1 PTL O1 1 1 8 1913 1 1 2 VAL C C 5.563 -3.032 -1.647 1.00 . A A . 2 VAL C 1 1 8 1914 1 1 2 VAL CA C 4.143 -3.045 -2.202 1.00 . A A . 2 VAL CA 1 1 8 1915 1 1 2 VAL CB C 4.183 -2.658 -3.692 1.00 . A A . 2 VAL CB 1 1 8 1916 1 1 2 VAL CG1 C 5.215 -3.493 -4.434 1.00 . A A . 2 VAL CG1 1 1 8 1917 1 1 2 VAL CG2 C 2.806 -2.815 -4.319 1.00 . A A . 2 VAL CG2 1 1 8 1918 1 1 2 VAL H H 2.880 -1.377 -1.892 1.00 . A A . 2 VAL H 1 1 8 1919 1 1 2 VAL HA H 3.746 -4.047 -2.122 1.00 . A A . 2 VAL HA 1 1 8 1920 1 1 2 VAL HB H 4.473 -1.619 -3.765 1.00 . A A . 2 VAL HB 1 1 8 1921 1 1 2 VAL HG11 H 5.341 -4.439 -3.929 1.00 . A A . 2 VAL HG11 1 1 8 1922 1 1 2 VAL HG12 H 4.878 -3.666 -5.446 1.00 . A A . 2 VAL HG12 1 1 8 1923 1 1 2 VAL HG13 H 6.158 -2.967 -4.453 1.00 . A A . 2 VAL HG13 1 1 8 1924 1 1 2 VAL HG21 H 2.099 -2.184 -3.800 1.00 . A A . 2 VAL HG21 1 1 8 1925 1 1 2 VAL HG22 H 2.850 -2.527 -5.359 1.00 . A A . 2 VAL HG22 1 1 8 1926 1 1 2 VAL HG23 H 2.491 -3.845 -4.244 1.00 . A A . 2 VAL HG23 1 1 8 1927 1 1 2 VAL N N 3.275 -2.153 -1.443 1.00 . A A . 2 VAL N 1 1 8 1928 1 1 2 VAL O O 6.328 -3.975 -1.847 1.00 . A A . 2 VAL O 1 1 8 1929 1 1 3 ALA C C 7.564 -3.008 0.537 1.00 . A A . 3 ALA C 1 1 8 1930 1 1 3 ALA CA C 7.236 -1.820 -0.361 1.00 . A A . 3 ALA CA 1 1 8 1931 1 1 3 ALA CB C 7.337 -0.520 0.423 1.00 . A A . 3 ALA CB 1 1 8 1932 1 1 3 ALA H H 5.256 -1.237 -0.823 1.00 . A A . 3 ALA H 1 1 8 1933 1 1 3 ALA HA H 7.956 -1.782 -1.166 1.00 . A A . 3 ALA HA 1 1 8 1934 1 1 3 ALA HB1 H 8.371 -0.324 0.665 1.00 . A A . 3 ALA HB1 1 1 8 1935 1 1 3 ALA HB2 H 6.948 0.291 -0.176 1.00 . A A . 3 ALA HB2 1 1 8 1936 1 1 3 ALA HB3 H 6.764 -0.604 1.333 1.00 . A A . 3 ALA HB3 1 1 8 1937 1 1 3 ALA N N 5.910 -1.956 -0.948 1.00 . A A . 3 ALA N 1 1 8 1938 1 1 3 ALA O O 8.688 -3.510 0.534 1.00 . A A . 3 ALA O 1 1 8 1939 1 1 4 ARG C C 7.059 -5.858 1.435 1.00 . A A . 4 ARG C 1 1 8 1940 1 1 4 ARG CA C 6.760 -4.580 2.212 1.00 . A A . 4 ARG CA 1 1 8 1941 1 1 4 ARG CB C 5.513 -4.776 3.077 1.00 . A A . 4 ARG CB 1 1 8 1942 1 1 4 ARG CD C 4.911 -7.211 3.225 1.00 . A A . 4 ARG CD 1 1 8 1943 1 1 4 ARG CG C 5.557 -6.031 3.933 1.00 . A A . 4 ARG CG 1 1 8 1944 1 1 4 ARG CZ C 3.955 -8.537 5.062 1.00 . A A . 4 ARG CZ 1 1 8 1945 1 1 4 ARG H H 5.701 -3.010 1.266 1.00 . A A . 4 ARG H 1 1 8 1946 1 1 4 ARG HA H 7.600 -4.358 2.853 1.00 . A A . 4 ARG HA 1 1 8 1947 1 1 4 ARG HB2 H 5.405 -3.923 3.732 1.00 . A A . 4 ARG HB2 1 1 8 1948 1 1 4 ARG HB3 H 4.649 -4.837 2.432 1.00 . A A . 4 ARG HB3 1 1 8 1949 1 1 4 ARG HD2 H 4.545 -6.881 2.264 1.00 . A A . 4 ARG HD2 1 1 8 1950 1 1 4 ARG HD3 H 5.657 -7.979 3.081 1.00 . A A . 4 ARG HD3 1 1 8 1951 1 1 4 ARG HE H 2.891 -7.555 3.691 1.00 . A A . 4 ARG HE 1 1 8 1952 1 1 4 ARG HG2 H 6.588 -6.273 4.147 1.00 . A A . 4 ARG HG2 1 1 8 1953 1 1 4 ARG HG3 H 5.030 -5.843 4.856 1.00 . A A . 4 ARG HG3 1 1 8 1954 1 1 4 ARG HH11 H 5.974 -8.489 5.009 1.00 . A A . 4 ARG HH11 1 1 8 1955 1 1 4 ARG HH12 H 5.289 -9.420 6.298 1.00 . A A . 4 ARG HH12 1 1 8 1956 1 1 4 ARG HH21 H 3.014 -9.584 6.512 1.00 . A A . 4 ARG HH21 1 1 8 1957 1 1 4 ARG HH22 H 1.976 -8.778 5.385 1.00 . A A . 4 ARG HH22 1 1 8 1958 1 1 4 ARG N N 6.576 -3.452 1.307 1.00 . A A . 4 ARG N 1 1 8 1959 1 1 4 ARG NE N 3.799 -7.768 3.991 1.00 . A A . 4 ARG NE 1 1 8 1960 1 1 4 ARG NH1 N 5.173 -8.841 5.491 1.00 . A A . 4 ARG NH1 1 1 8 1961 1 1 4 ARG NH2 N 2.895 -9.006 5.706 1.00 . A A . 4 ARG NH2 1 1 8 1962 1 1 4 ARG O O 7.514 -6.850 2.002 1.00 . A A . 4 ARG O 1 1 8 1963 1 1 5 GLY C C 8.050 -6.709 -1.804 1.00 . A A . 5 GLY C 1 1 8 1964 1 1 5 GLY CA C 7.045 -6.988 -0.703 1.00 . A A . 5 GLY CA 1 1 8 1965 1 1 5 GLY H H 6.436 -5.007 -0.267 1.00 . A A . 5 GLY H 1 1 8 1966 1 1 5 GLY HA2 H 7.418 -7.789 -0.084 1.00 . A A . 5 GLY HA2 1 1 8 1967 1 1 5 GLY HA3 H 6.113 -7.298 -1.153 1.00 . A A . 5 GLY HA3 1 1 8 1968 1 1 5 GLY N N 6.799 -5.826 0.130 1.00 . A A . 5 GLY N 1 1 8 1969 1 1 5 GLY O O 8.334 -7.577 -2.628 1.00 . A A . 5 GLY O 1 1 8 1970 1 1 6 TRP C C 10.882 -4.697 -2.181 1.00 . A A . 6 TRP C 1 1 8 1971 1 1 6 TRP CA C 9.562 -5.101 -2.829 1.00 . A A . 6 TRP CA 1 1 8 1972 1 1 6 TRP CB C 9.019 -3.947 -3.672 1.00 . A A . 6 TRP CB 1 1 8 1973 1 1 6 TRP CD1 C 10.133 -2.018 -4.940 1.00 . A A . 6 TRP CD1 1 1 8 1974 1 1 6 TRP CD2 C 11.143 -4.000 -5.206 1.00 . A A . 6 TRP CD2 1 1 8 1975 1 1 6 TRP CE2 C 11.848 -3.033 -5.949 1.00 . A A . 6 TRP CE2 1 1 8 1976 1 1 6 TRP CE3 C 11.595 -5.322 -5.220 1.00 . A A . 6 TRP CE3 1 1 8 1977 1 1 6 TRP CG C 10.050 -3.330 -4.569 1.00 . A A . 6 TRP CG 1 1 8 1978 1 1 6 TRP CH2 C 13.401 -4.651 -6.693 1.00 . A A . 6 TRP CH2 1 1 8 1979 1 1 6 TRP CZ2 C 12.980 -3.349 -6.697 1.00 . A A . 6 TRP CZ2 1 1 8 1980 1 1 6 TRP CZ3 C 12.718 -5.634 -5.963 1.00 . A A . 6 TRP CZ3 1 1 8 1981 1 1 6 TRP H H 8.317 -4.844 -1.136 1.00 . A A . 6 TRP H 1 1 8 1982 1 1 6 TRP HA H 9.735 -5.953 -3.470 1.00 . A A . 6 TRP HA 1 1 8 1983 1 1 6 TRP HB2 H 8.213 -4.310 -4.293 1.00 . A A . 6 TRP HB2 1 1 8 1984 1 1 6 TRP HB3 H 8.644 -3.176 -3.015 1.00 . A A . 6 TRP HB3 1 1 8 1985 1 1 6 TRP HD1 H 9.444 -1.251 -4.623 1.00 . A A . 6 TRP HD1 1 1 8 1986 1 1 6 TRP HE1 H 11.482 -0.979 -6.170 1.00 . A A . 6 TRP HE1 1 1 8 1987 1 1 6 TRP HE3 H 11.084 -6.094 -4.664 1.00 . A A . 6 TRP HE3 1 1 8 1988 1 1 6 TRP HH2 H 14.273 -4.939 -7.259 1.00 . A A . 6 TRP HH2 1 1 8 1989 1 1 6 TRP HZ2 H 13.516 -2.603 -7.264 1.00 . A A . 6 TRP HZ2 1 1 8 1990 1 1 6 TRP HZ3 H 13.083 -6.651 -5.986 1.00 . A A . 6 TRP HZ3 1 1 8 1991 1 1 6 TRP N N 8.585 -5.493 -1.819 1.00 . A A . 6 TRP N 1 1 8 1992 1 1 6 TRP NE1 N 11.212 -1.833 -5.771 1.00 . A A . 6 TRP NE1 1 1 8 1993 1 1 6 TRP O O 11.850 -5.458 -2.193 1.00 . A A . 6 TRP O 1 1 8 1994 1 1 7 LYS C C 11.900 -2.857 0.543 1.00 . A A . 7 LYS C 1 1 8 1995 1 1 7 LYS CA C 12.115 -2.990 -0.961 1.00 . A A . 7 LYS CA 1 1 8 1996 1 1 7 LYS CB C 12.512 -1.635 -1.552 1.00 . A A . 7 LYS CB 1 1 8 1997 1 1 7 LYS CD C 14.274 -2.696 -2.994 1.00 . A A . 7 LYS CD 1 1 8 1998 1 1 7 LYS CE C 15.023 -2.601 -4.315 1.00 . A A . 7 LYS CE 1 1 8 1999 1 1 7 LYS CG C 13.101 -1.731 -2.949 1.00 . A A . 7 LYS CG 1 1 8 2000 1 1 7 LYS H H 10.110 -2.935 -1.638 1.00 . A A . 7 LYS H 1 1 8 2001 1 1 7 LYS HA H 12.912 -3.698 -1.137 1.00 . A A . 7 LYS HA 1 1 8 2002 1 1 7 LYS HB2 H 11.637 -1.005 -1.596 1.00 . A A . 7 LYS HB2 1 1 8 2003 1 1 7 LYS HB3 H 13.245 -1.174 -0.906 1.00 . A A . 7 LYS HB3 1 1 8 2004 1 1 7 LYS HD2 H 14.955 -2.459 -2.190 1.00 . A A . 7 LYS HD2 1 1 8 2005 1 1 7 LYS HD3 H 13.904 -3.704 -2.871 1.00 . A A . 7 LYS HD3 1 1 8 2006 1 1 7 LYS HE2 H 15.110 -3.591 -4.737 1.00 . A A . 7 LYS HE2 1 1 8 2007 1 1 7 LYS HE3 H 14.461 -1.971 -4.988 1.00 . A A . 7 LYS HE3 1 1 8 2008 1 1 7 LYS HG2 H 12.338 -2.076 -3.630 1.00 . A A . 7 LYS HG2 1 1 8 2009 1 1 7 LYS HG3 H 13.440 -0.751 -3.254 1.00 . A A . 7 LYS HG3 1 1 8 2010 1 1 7 LYS HZ1 H 16.884 -2.518 -3.370 1.00 . A A . 7 LYS HZ1 1 1 8 2011 1 1 7 LYS HZ2 H 16.320 -1.016 -3.908 1.00 . A A . 7 LYS HZ2 1 1 8 2012 1 1 7 LYS HZ3 H 16.934 -2.134 -5.017 1.00 . A A . 7 LYS HZ3 1 1 8 2013 1 1 7 LYS N N 10.915 -3.495 -1.616 1.00 . A A . 7 LYS N 1 1 8 2014 1 1 7 LYS NZ N 16.386 -2.027 -4.139 1.00 . A A . 7 LYS NZ 1 1 8 2015 1 1 7 LYS O O 12.077 -3.817 1.293 1.00 . A A . 7 LYS O 1 1 8 2016 1 1 8 ARG C C 9.850 -0.909 2.620 1.00 . A A . 8 ARG C 1 1 8 2017 1 1 8 ARG CA C 11.275 -1.403 2.392 1.00 . A A . 8 ARG CA 1 1 8 2018 1 1 8 ARG CB C 12.274 -0.371 2.921 1.00 . A A . 8 ARG CB 1 1 8 2019 1 1 8 ARG CD C 14.726 0.154 2.751 1.00 . A A . 8 ARG CD 1 1 8 2020 1 1 8 ARG CG C 13.687 -0.911 3.066 1.00 . A A . 8 ARG CG 1 1 8 2021 1 1 8 ARG CZ C 16.715 1.160 3.788 1.00 . A A . 8 ARG CZ 1 1 8 2022 1 1 8 ARG H H 11.391 -0.934 0.331 1.00 . A A . 8 ARG H 1 1 8 2023 1 1 8 ARG HA H 11.412 -2.331 2.927 1.00 . A A . 8 ARG HA 1 1 8 2024 1 1 8 ARG HB2 H 12.301 0.468 2.241 1.00 . A A . 8 ARG HB2 1 1 8 2025 1 1 8 ARG HB3 H 11.941 -0.030 3.889 1.00 . A A . 8 ARG HB3 1 1 8 2026 1 1 8 ARG HD2 H 15.234 -0.116 1.837 1.00 . A A . 8 ARG HD2 1 1 8 2027 1 1 8 ARG HD3 H 14.222 1.099 2.616 1.00 . A A . 8 ARG HD3 1 1 8 2028 1 1 8 ARG HE H 15.623 -0.300 4.597 1.00 . A A . 8 ARG HE 1 1 8 2029 1 1 8 ARG HG2 H 13.831 -1.249 4.082 1.00 . A A . 8 ARG HG2 1 1 8 2030 1 1 8 ARG HG3 H 13.817 -1.741 2.387 1.00 . A A . 8 ARG HG3 1 1 8 2031 1 1 8 ARG HH11 H 16.217 1.925 1.985 1.00 . A A . 8 ARG HH11 1 1 8 2032 1 1 8 ARG HH12 H 17.616 2.626 2.727 1.00 . A A . 8 ARG HH12 1 1 8 2033 1 1 8 ARG HH21 H 18.327 1.879 4.773 1.00 . A A . 8 ARG HH21 1 1 8 2034 1 1 8 ARG HH22 H 17.465 0.615 5.584 1.00 . A A . 8 ARG HH22 1 1 8 2035 1 1 8 ARG N N 11.515 -1.660 0.977 1.00 . A A . 8 ARG N 1 1 8 2036 1 1 8 ARG NE N 15.713 0.288 3.819 1.00 . A A . 8 ARG NE 1 1 8 2037 1 1 8 ARG NH1 N 16.862 1.970 2.748 1.00 . A A . 8 ARG NH1 1 1 8 2038 1 1 8 ARG NH2 N 17.573 1.223 4.798 1.00 . A A . 8 ARG NH2 1 1 8 2039 1 1 8 ARG O O 8.894 -1.683 2.550 1.00 . A A . 8 ARG O 1 1 8 2040 1 1 9 LYS C C 8.185 2.188 2.224 1.00 . A A . 9 LYS C 1 1 8 2041 1 1 9 LYS CA C 8.406 0.983 3.133 1.00 . A A . 9 LYS CA 1 1 8 2042 1 1 9 LYS CB C 8.274 1.404 4.598 1.00 . A A . 9 LYS CB 1 1 8 2043 1 1 9 LYS CD C 9.331 0.355 6.621 1.00 . A A . 9 LYS CD 1 1 8 2044 1 1 9 LYS CE C 8.935 1.324 7.725 1.00 . A A . 9 LYS CE 1 1 8 2045 1 1 9 LYS CG C 8.242 0.235 5.567 1.00 . A A . 9 LYS CG 1 1 8 2046 1 1 9 LYS H H 10.513 0.950 2.937 1.00 . A A . 9 LYS H 1 1 8 2047 1 1 9 LYS HA H 7.655 0.239 2.912 1.00 . A A . 9 LYS HA 1 1 8 2048 1 1 9 LYS HB2 H 9.112 2.036 4.855 1.00 . A A . 9 LYS HB2 1 1 8 2049 1 1 9 LYS HB3 H 7.360 1.968 4.717 1.00 . A A . 9 LYS HB3 1 1 8 2050 1 1 9 LYS HD2 H 9.505 -0.617 7.057 1.00 . A A . 9 LYS HD2 1 1 8 2051 1 1 9 LYS HD3 H 10.238 0.708 6.151 1.00 . A A . 9 LYS HD3 1 1 8 2052 1 1 9 LYS HE2 H 9.221 2.321 7.428 1.00 . A A . 9 LYS HE2 1 1 8 2053 1 1 9 LYS HE3 H 7.864 1.281 7.855 1.00 . A A . 9 LYS HE3 1 1 8 2054 1 1 9 LYS HG2 H 7.281 0.214 6.059 1.00 . A A . 9 LYS HG2 1 1 8 2055 1 1 9 LYS HG3 H 8.387 -0.682 5.015 1.00 . A A . 9 LYS HG3 1 1 8 2056 1 1 9 LYS HZ1 H 10.164 1.800 9.345 1.00 . A A . 9 LYS HZ1 1 1 8 2057 1 1 9 LYS HZ2 H 10.219 0.168 8.898 1.00 . A A . 9 LYS HZ2 1 1 8 2058 1 1 9 LYS HZ3 H 8.879 0.771 9.737 1.00 . A A . 9 LYS HZ3 1 1 8 2059 1 1 9 LYS N N 9.713 0.384 2.894 1.00 . A A . 9 LYS N 1 1 8 2060 1 1 9 LYS NZ N 9.595 0.993 9.016 1.00 . A A . 9 LYS NZ 1 1 8 2061 1 1 9 LYS O O 7.291 2.182 1.376 1.00 . A A . 9 LYS O 1 1 8 2062 1 1 10 CYS C C 9.384 4.180 0.176 1.00 . A A . 10 CYS C 1 1 8 2063 1 1 10 CYS CA C 8.899 4.429 1.601 1.00 . A A . 10 CYS CA 1 1 8 2064 1 1 10 CYS CB C 9.708 5.560 2.236 1.00 . A A . 10 CYS CB 1 1 8 2065 1 1 10 CYS H H 9.697 3.162 3.096 1.00 . A A . 10 CYS H 1 1 8 2066 1 1 10 CYS HA H 7.859 4.715 1.568 1.00 . A A . 10 CYS HA 1 1 8 2067 1 1 10 CYS HB2 H 10.436 5.136 2.913 1.00 . A A . 10 CYS HB2 1 1 8 2068 1 1 10 CYS HB3 H 10.224 6.104 1.459 1.00 . A A . 10 CYS HB3 1 1 8 2069 1 1 10 CYS HG H 9.461 7.220 4.156 1.00 . A A . 10 CYS HG 1 1 8 2070 1 1 10 CYS N N 9.005 3.217 2.405 1.00 . A A . 10 CYS N 1 1 8 2071 1 1 10 CYS O O 8.643 4.340 -0.795 1.00 . A A . 10 CYS O 1 1 8 2072 1 1 10 CYS SG S 8.713 6.744 3.172 1.00 . A A . 10 CYS SG 1 1 8 2073 1 1 11 PRO C C 10.705 2.241 -1.906 1.00 . A A . 11 PRO C 1 1 8 2074 1 1 11 PRO CA C 11.269 3.501 -1.258 1.00 . A A . 11 PRO CA 1 1 8 2075 1 1 11 PRO CB C 12.750 3.310 -0.920 1.00 . A A . 11 PRO CB 1 1 8 2076 1 1 11 PRO CD C 11.597 3.568 1.159 1.00 . A A . 11 PRO CD 1 1 8 2077 1 1 11 PRO CG C 12.760 2.874 0.505 1.00 . A A . 11 PRO CG 1 1 8 2078 1 1 11 PRO HA H 11.157 4.335 -1.935 1.00 . A A . 11 PRO HA 1 1 8 2079 1 1 11 PRO HB2 H 13.175 2.555 -1.567 1.00 . A A . 11 PRO HB2 1 1 8 2080 1 1 11 PRO HB3 H 13.276 4.243 -1.052 1.00 . A A . 11 PRO HB3 1 1 8 2081 1 1 11 PRO HD2 H 11.160 2.937 1.918 1.00 . A A . 11 PRO HD2 1 1 8 2082 1 1 11 PRO HD3 H 11.910 4.511 1.583 1.00 . A A . 11 PRO HD3 1 1 8 2083 1 1 11 PRO HG2 H 12.640 1.803 0.563 1.00 . A A . 11 PRO HG2 1 1 8 2084 1 1 11 PRO HG3 H 13.686 3.175 0.973 1.00 . A A . 11 PRO HG3 1 1 8 2085 1 1 11 PRO N N 10.657 3.780 0.045 1.00 . A A . 11 PRO N 1 1 8 2086 1 1 11 PRO O O 10.718 1.164 -1.310 1.00 . A A . 11 PRO O 1 1 8 2087 1 1 12 LEU C C 10.367 1.041 -5.184 1.00 . A A . 12 LEU C 1 1 8 2088 1 1 12 LEU CA C 9.640 1.257 -3.861 1.00 . A A . 12 LEU CA 1 1 8 2089 1 1 12 LEU CB C 8.150 1.491 -4.117 1.00 . A A . 12 LEU CB 1 1 8 2090 1 1 12 LEU CD1 C 7.137 -0.669 -3.349 1.00 . A A . 12 LEU CD1 1 1 8 2091 1 1 12 LEU CD2 C 5.999 0.682 -5.121 1.00 . A A . 12 LEU CD2 1 1 8 2092 1 1 12 LEU CG C 7.339 0.263 -4.534 1.00 . A A . 12 LEU CG 1 1 8 2093 1 1 12 LEU H H 10.227 3.267 -3.554 1.00 . A A . 12 LEU H 1 1 8 2094 1 1 12 LEU HA H 9.757 0.373 -3.251 1.00 . A A . 12 LEU HA 1 1 8 2095 1 1 12 LEU HB2 H 7.715 1.882 -3.210 1.00 . A A . 12 LEU HB2 1 1 8 2096 1 1 12 LEU HB3 H 8.062 2.228 -4.903 1.00 . A A . 12 LEU HB3 1 1 8 2097 1 1 12 LEU HD11 H 7.443 -1.669 -3.622 1.00 . A A . 12 LEU HD11 1 1 8 2098 1 1 12 LEU HD12 H 6.093 -0.676 -3.071 1.00 . A A . 12 LEU HD12 1 1 8 2099 1 1 12 LEU HD13 H 7.729 -0.325 -2.515 1.00 . A A . 12 LEU HD13 1 1 8 2100 1 1 12 LEU HD21 H 5.228 0.568 -4.373 1.00 . A A . 12 LEU HD21 1 1 8 2101 1 1 12 LEU HD22 H 5.770 0.060 -5.973 1.00 . A A . 12 LEU HD22 1 1 8 2102 1 1 12 LEU HD23 H 6.050 1.715 -5.433 1.00 . A A . 12 LEU HD23 1 1 8 2103 1 1 12 LEU HG H 7.884 -0.279 -5.295 1.00 . A A . 12 LEU HG 1 1 8 2104 1 1 12 LEU N N 10.209 2.384 -3.130 1.00 . A A . 12 LEU N 1 1 8 2105 1 1 12 LEU O O 11.577 0.819 -5.210 1.00 . A A . 12 LEU O 1 1 8 2106 1 1 13 PHE C C 10.578 2.267 -8.229 1.00 . A A . 13 PHE C 1 1 8 2107 1 1 13 PHE CA C 10.196 0.926 -7.610 1.00 . A A . 13 PHE CA 1 1 8 2108 1 1 13 PHE CB C 9.206 0.194 -8.518 1.00 . A A . 13 PHE CB 1 1 8 2109 1 1 13 PHE CD1 C 7.886 -1.607 -7.375 1.00 . A A . 13 PHE CD1 1 1 8 2110 1 1 13 PHE CD2 C 9.880 -2.223 -8.528 1.00 . A A . 13 PHE CD2 1 1 8 2111 1 1 13 PHE CE1 C 7.680 -2.925 -7.018 1.00 . A A . 13 PHE CE1 1 1 8 2112 1 1 13 PHE CE2 C 9.679 -3.544 -8.175 1.00 . A A . 13 PHE CE2 1 1 8 2113 1 1 13 PHE CG C 8.987 -1.241 -8.133 1.00 . A A . 13 PHE CG 1 1 8 2114 1 1 13 PHE CZ C 8.578 -3.895 -7.418 1.00 . A A . 13 PHE CZ 1 1 8 2115 1 1 13 PHE H H 8.662 1.292 -6.197 1.00 . A A . 13 PHE H 1 1 8 2116 1 1 13 PHE HA H 11.086 0.325 -7.503 1.00 . A A . 13 PHE HA 1 1 8 2117 1 1 13 PHE HB2 H 8.252 0.698 -8.479 1.00 . A A . 13 PHE HB2 1 1 8 2118 1 1 13 PHE HB3 H 9.579 0.214 -9.532 1.00 . A A . 13 PHE HB3 1 1 8 2119 1 1 13 PHE HD1 H 7.182 -0.848 -7.061 1.00 . A A . 13 PHE HD1 1 1 8 2120 1 1 13 PHE HD2 H 10.741 -1.949 -9.119 1.00 . A A . 13 PHE HD2 1 1 8 2121 1 1 13 PHE HE1 H 6.818 -3.197 -6.426 1.00 . A A . 13 PHE HE1 1 1 8 2122 1 1 13 PHE HE2 H 10.383 -4.301 -8.489 1.00 . A A . 13 PHE HE2 1 1 8 2123 1 1 13 PHE HZ H 8.418 -4.927 -7.141 1.00 . A A . 13 PHE HZ 1 1 8 2124 1 1 13 PHE N N 9.621 1.112 -6.282 1.00 . A A . 13 PHE N 1 1 8 2125 1 1 13 PHE O O 11.696 2.749 -8.054 1.00 . A A . 13 PHE O 1 1 8 2126 1 1 14 GLY C C 8.885 5.202 -9.197 1.00 . A A . 14 GLY C 1 1 8 2127 1 1 14 GLY CA C 9.897 4.144 -9.592 1.00 . A A . 14 GLY CA 1 1 8 2128 1 1 14 GLY H H 8.765 2.435 -9.062 1.00 . A A . 14 GLY H 1 1 8 2129 1 1 14 GLY HA2 H 10.883 4.482 -9.312 1.00 . A A . 14 GLY HA2 1 1 8 2130 1 1 14 GLY HA3 H 9.863 4.013 -10.664 1.00 . A A . 14 GLY HA3 1 1 8 2131 1 1 14 GLY N N 9.639 2.865 -8.957 1.00 . A A . 14 GLY N 1 1 8 2132 1 1 14 GLY O O 8.938 6.334 -9.678 1.00 . A A . 14 GLY O 1 1 8 2133 1 1 15 LYS C C 7.379 6.491 -6.600 1.00 . A A . 15 LYS C 1 1 8 2134 1 1 15 LYS CA C 6.929 5.757 -7.859 1.00 . A A . 15 LYS CA 1 1 8 2135 1 1 15 LYS CB C 5.624 5.005 -7.584 1.00 . A A . 15 LYS CB 1 1 8 2136 1 1 15 LYS CD C 5.804 2.654 -8.451 1.00 . A A . 15 LYS CD 1 1 8 2137 1 1 15 LYS CE C 4.934 1.576 -9.077 1.00 . A A . 15 LYS CE 1 1 8 2138 1 1 15 LYS CG C 5.232 4.041 -8.690 1.00 . A A . 15 LYS CG 1 1 8 2139 1 1 15 LYS H H 7.967 3.916 -7.972 1.00 . A A . 15 LYS H 1 1 8 2140 1 1 15 LYS HA H 6.758 6.480 -8.641 1.00 . A A . 15 LYS HA 1 1 8 2141 1 1 15 LYS HB2 H 5.734 4.442 -6.667 1.00 . A A . 15 LYS HB2 1 1 8 2142 1 1 15 LYS HB3 H 4.827 5.724 -7.462 1.00 . A A . 15 LYS HB3 1 1 8 2143 1 1 15 LYS HD2 H 6.792 2.601 -8.885 1.00 . A A . 15 LYS HD2 1 1 8 2144 1 1 15 LYS HD3 H 5.868 2.479 -7.385 1.00 . A A . 15 LYS HD3 1 1 8 2145 1 1 15 LYS HE2 H 5.061 0.661 -8.520 1.00 . A A . 15 LYS HE2 1 1 8 2146 1 1 15 LYS HE3 H 3.902 1.890 -9.025 1.00 . A A . 15 LYS HE3 1 1 8 2147 1 1 15 LYS HG2 H 4.156 3.973 -8.731 1.00 . A A . 15 LYS HG2 1 1 8 2148 1 1 15 LYS HG3 H 5.607 4.418 -9.632 1.00 . A A . 15 LYS HG3 1 1 8 2149 1 1 15 LYS HZ1 H 5.949 0.526 -10.571 1.00 . A A . 15 LYS HZ1 1 1 8 2150 1 1 15 LYS HZ2 H 5.753 2.173 -10.904 1.00 . A A . 15 LYS HZ2 1 1 8 2151 1 1 15 LYS HZ3 H 4.439 1.118 -11.054 1.00 . A A . 15 LYS HZ3 1 1 8 2152 1 1 15 LYS N N 7.958 4.833 -8.320 1.00 . A A . 15 LYS N 1 1 8 2153 1 1 15 LYS NZ N 5.294 1.331 -10.501 1.00 . A A . 15 LYS NZ 1 1 8 2154 1 1 15 LYS O O 8.450 7.099 -6.574 1.00 . A A . 15 LYS O 1 1 8 2155 1 1 16 GLY C C 6.938 6.131 -3.138 1.00 . A A . 16 GLY C 1 1 8 2156 1 1 16 GLY CA C 6.890 7.092 -4.310 1.00 . A A . 16 GLY CA 1 1 8 2157 1 1 16 GLY H H 5.717 5.931 -5.636 1.00 . A A . 16 GLY H 1 1 8 2158 1 1 16 GLY HA2 H 7.855 7.566 -4.413 1.00 . A A . 16 GLY HA2 1 1 8 2159 1 1 16 GLY HA3 H 6.148 7.850 -4.108 1.00 . A A . 16 GLY HA3 1 1 8 2160 1 1 16 GLY N N 6.557 6.430 -5.557 1.00 . A A . 16 GLY N 1 1 8 2161 1 1 16 GLY O O 7.743 6.298 -2.223 1.00 . A A . 16 GLY O 1 1 8 2162 1 1 17 GLY C C 5.894 4.793 -0.728 1.00 . A A . 17 GLY C 1 1 8 2163 1 1 17 GLY CA C 6.035 4.148 -2.092 1.00 . A A . 17 GLY CA 1 1 8 2164 1 1 17 GLY H H 5.454 5.041 -3.922 1.00 . A A . 17 GLY H 1 1 8 2165 1 1 17 GLY HA2 H 5.199 3.483 -2.252 1.00 . A A . 17 GLY HA2 1 1 8 2166 1 1 17 GLY HA3 H 6.948 3.572 -2.112 1.00 . A A . 17 GLY HA3 1 1 8 2167 1 1 17 GLY N N 6.072 5.123 -3.166 1.00 . A A . 17 GLY N 1 1 8 2168 1 1 17 GLY O O 5.729 4.104 0.279 1.00 . A A . 17 GLY O 1 1 9 2169 1 1 1 PTL C1 C 3.076 -1.514 -0.461 1.00 . A A . 1 PTL C1 1 1 9 2170 1 1 1 PTL C2 C 2.493 -0.220 0.098 1.00 . A A . 1 PTL C2 1 1 9 2171 1 1 1 PTL C3 C 3.512 0.913 -0.038 1.00 . A A . 1 PTL C3 1 1 9 2172 1 1 1 PTL C4 C 3.038 2.232 0.553 1.00 . A A . 1 PTL C4 1 1 9 2173 1 1 1 PTL C5 C 4.126 2.934 1.387 1.00 . A A . 1 PTL C5 1 1 9 2174 1 1 1 PTL H21 H 2.201 -0.343 1.140 1.00 . A A . 1 PTL H21 1 1 9 2175 1 1 1 PTL H22 H 1.608 0.035 -0.467 1.00 . A A . 1 PTL H22 1 1 9 2176 1 1 1 PTL H31 H 4.423 0.625 0.466 1.00 . A A . 1 PTL H31 1 1 9 2177 1 1 1 PTL H32 H 3.724 1.069 -1.085 1.00 . A A . 1 PTL H32 1 1 9 2178 1 1 1 PTL H41 H 2.743 2.887 -0.253 1.00 . A A . 1 PTL H41 1 1 9 2179 1 1 1 PTL H42 H 2.186 2.039 1.188 1.00 . A A . 1 PTL H42 1 1 9 2180 1 1 1 PTL H51 H 4.426 2.287 2.211 1.00 . A A . 1 PTL H51 1 1 9 2181 1 1 1 PTL H52 H 3.733 3.869 1.783 1.00 . A A . 1 PTL H52 1 1 9 2182 1 1 1 PTL H53 H 4.990 3.142 0.755 1.00 . A A . 1 PTL H53 1 1 9 2183 1 1 1 PTL O1 O 3.024 -2.560 0.185 1.00 . A A . 1 PTL O1 1 1 9 2184 1 1 2 VAL C C 5.689 -2.766 -1.905 1.00 . A A . 2 VAL C 1 1 9 2185 1 1 2 VAL CA C 4.228 -2.600 -2.310 1.00 . A A . 2 VAL CA 1 1 9 2186 1 1 2 VAL CB C 4.141 -2.499 -3.844 1.00 . A A . 2 VAL CB 1 1 9 2187 1 1 2 VAL CG1 C 4.753 -3.728 -4.497 1.00 . A A . 2 VAL CG1 1 1 9 2188 1 1 2 VAL CG2 C 2.695 -2.315 -4.283 1.00 . A A . 2 VAL CG2 1 1 9 2189 1 1 2 VAL H H 3.647 -0.573 -2.131 1.00 . A A . 2 VAL H 1 1 9 2190 1 1 2 VAL HA H 3.677 -3.474 -1.995 1.00 . A A . 2 VAL HA 1 1 9 2191 1 1 2 VAL HB H 4.704 -1.633 -4.160 1.00 . A A . 2 VAL HB 1 1 9 2192 1 1 2 VAL HG11 H 5.797 -3.545 -4.701 1.00 . A A . 2 VAL HG11 1 1 9 2193 1 1 2 VAL HG12 H 4.658 -4.574 -3.831 1.00 . A A . 2 VAL HG12 1 1 9 2194 1 1 2 VAL HG13 H 4.237 -3.939 -5.423 1.00 . A A . 2 VAL HG13 1 1 9 2195 1 1 2 VAL HG21 H 2.604 -1.398 -4.846 1.00 . A A . 2 VAL HG21 1 1 9 2196 1 1 2 VAL HG22 H 2.399 -3.150 -4.902 1.00 . A A . 2 VAL HG22 1 1 9 2197 1 1 2 VAL HG23 H 2.057 -2.268 -3.413 1.00 . A A . 2 VAL HG23 1 1 9 2198 1 1 2 VAL N N 3.634 -1.435 -1.665 1.00 . A A . 2 VAL N 1 1 9 2199 1 1 2 VAL O O 6.287 -3.820 -2.119 1.00 . A A . 2 VAL O 1 1 9 2200 1 1 3 ALA C C 7.836 -2.710 0.287 1.00 . A A . 3 ALA C 1 1 9 2201 1 1 3 ALA CA C 7.648 -1.748 -0.883 1.00 . A A . 3 ALA CA 1 1 9 2202 1 1 3 ALA CB C 8.112 -0.351 -0.499 1.00 . A A . 3 ALA CB 1 1 9 2203 1 1 3 ALA H H 5.730 -0.905 -1.177 1.00 . A A . 3 ALA H 1 1 9 2204 1 1 3 ALA HA H 8.252 -2.086 -1.713 1.00 . A A . 3 ALA HA 1 1 9 2205 1 1 3 ALA HB1 H 8.570 -0.379 0.479 1.00 . A A . 3 ALA HB1 1 1 9 2206 1 1 3 ALA HB2 H 8.830 0.001 -1.224 1.00 . A A . 3 ALA HB2 1 1 9 2207 1 1 3 ALA HB3 H 7.263 0.317 -0.479 1.00 . A A . 3 ALA HB3 1 1 9 2208 1 1 3 ALA N N 6.258 -1.718 -1.319 1.00 . A A . 3 ALA N 1 1 9 2209 1 1 3 ALA O O 8.913 -3.274 0.472 1.00 . A A . 3 ALA O 1 1 9 2210 1 1 4 ARG C C 7.369 -5.152 1.830 1.00 . A A . 4 ARG C 1 1 9 2211 1 1 4 ARG CA C 6.828 -3.782 2.225 1.00 . A A . 4 ARG CA 1 1 9 2212 1 1 4 ARG CB C 5.436 -3.929 2.842 1.00 . A A . 4 ARG CB 1 1 9 2213 1 1 4 ARG CD C 3.836 -2.061 3.355 1.00 . A A . 4 ARG CD 1 1 9 2214 1 1 4 ARG CG C 5.077 -2.813 3.810 1.00 . A A . 4 ARG CG 1 1 9 2215 1 1 4 ARG CZ C 2.337 -2.314 5.287 1.00 . A A . 4 ARG CZ 1 1 9 2216 1 1 4 ARG H H 5.947 -2.412 0.875 1.00 . A A . 4 ARG H 1 1 9 2217 1 1 4 ARG HA H 7.491 -3.343 2.957 1.00 . A A . 4 ARG HA 1 1 9 2218 1 1 4 ARG HB2 H 4.703 -3.939 2.049 1.00 . A A . 4 ARG HB2 1 1 9 2219 1 1 4 ARG HB3 H 5.391 -4.867 3.376 1.00 . A A . 4 ARG HB3 1 1 9 2220 1 1 4 ARG HD2 H 4.140 -1.233 2.732 1.00 . A A . 4 ARG HD2 1 1 9 2221 1 1 4 ARG HD3 H 3.214 -2.733 2.781 1.00 . A A . 4 ARG HD3 1 1 9 2222 1 1 4 ARG HE H 3.089 -0.581 4.647 1.00 . A A . 4 ARG HE 1 1 9 2223 1 1 4 ARG HG2 H 4.889 -3.240 4.784 1.00 . A A . 4 ARG HG2 1 1 9 2224 1 1 4 ARG HG3 H 5.904 -2.122 3.870 1.00 . A A . 4 ARG HG3 1 1 9 2225 1 1 4 ARG HH11 H 2.793 -4.035 4.334 1.00 . A A . 4 ARG HH11 1 1 9 2226 1 1 4 ARG HH12 H 1.738 -4.199 5.698 1.00 . A A . 4 ARG HH12 1 1 9 2227 1 1 4 ARG HH21 H 1.116 -2.349 6.898 1.00 . A A . 4 ARG HH21 1 1 9 2228 1 1 4 ARG HH22 H 1.701 -0.784 6.445 1.00 . A A . 4 ARG HH22 1 1 9 2229 1 1 4 ARG N N 6.779 -2.891 1.073 1.00 . A A . 4 ARG N 1 1 9 2230 1 1 4 ARG NE N 3.065 -1.546 4.483 1.00 . A A . 4 ARG NE 1 1 9 2231 1 1 4 ARG NH1 N 2.284 -3.624 5.090 1.00 . A A . 4 ARG NH1 1 1 9 2232 1 1 4 ARG NH2 N 1.663 -1.771 6.293 1.00 . A A . 4 ARG NH2 1 1 9 2233 1 1 4 ARG O O 8.014 -5.831 2.628 1.00 . A A . 4 ARG O 1 1 9 2234 1 1 5 GLY C C 8.468 -6.716 -1.103 1.00 . A A . 5 GLY C 1 1 9 2235 1 1 5 GLY CA C 7.569 -6.841 0.111 1.00 . A A . 5 GLY CA 1 1 9 2236 1 1 5 GLY H H 6.585 -4.970 -0.003 1.00 . A A . 5 GLY H 1 1 9 2237 1 1 5 GLY HA2 H 8.116 -7.331 0.903 1.00 . A A . 5 GLY HA2 1 1 9 2238 1 1 5 GLY HA3 H 6.713 -7.446 -0.151 1.00 . A A . 5 GLY HA3 1 1 9 2239 1 1 5 GLY N N 7.103 -5.553 0.590 1.00 . A A . 5 GLY N 1 1 9 2240 1 1 5 GLY O O 9.120 -7.682 -1.502 1.00 . A A . 5 GLY O 1 1 9 2241 1 1 6 TRP C C 10.717 -4.799 -2.469 1.00 . A A . 6 TRP C 1 1 9 2242 1 1 6 TRP CA C 9.327 -5.280 -2.870 1.00 . A A . 6 TRP CA 1 1 9 2243 1 1 6 TRP CB C 8.658 -4.248 -3.779 1.00 . A A . 6 TRP CB 1 1 9 2244 1 1 6 TRP CD1 C 9.589 -2.499 -5.405 1.00 . A A . 6 TRP CD1 1 1 9 2245 1 1 6 TRP CD2 C 10.532 -4.522 -5.590 1.00 . A A . 6 TRP CD2 1 1 9 2246 1 1 6 TRP CE2 C 11.129 -3.660 -6.531 1.00 . A A . 6 TRP CE2 1 1 9 2247 1 1 6 TRP CE3 C 10.966 -5.848 -5.521 1.00 . A A . 6 TRP CE3 1 1 9 2248 1 1 6 TRP CG C 9.551 -3.759 -4.880 1.00 . A A . 6 TRP CG 1 1 9 2249 1 1 6 TRP CH2 C 12.541 -5.388 -7.306 1.00 . A A . 6 TRP CH2 1 1 9 2250 1 1 6 TRP CZ2 C 12.134 -4.084 -7.395 1.00 . A A . 6 TRP CZ2 1 1 9 2251 1 1 6 TRP CZ3 C 11.965 -6.268 -6.380 1.00 . A A . 6 TRP CZ3 1 1 9 2252 1 1 6 TRP H H 7.959 -4.797 -1.327 1.00 . A A . 6 TRP H 1 1 9 2253 1 1 6 TRP HA H 9.423 -6.213 -3.407 1.00 . A A . 6 TRP HA 1 1 9 2254 1 1 6 TRP HB2 H 7.783 -4.691 -4.232 1.00 . A A . 6 TRP HB2 1 1 9 2255 1 1 6 TRP HB3 H 8.360 -3.396 -3.186 1.00 . A A . 6 TRP HB3 1 1 9 2256 1 1 6 TRP HD1 H 8.960 -1.685 -5.077 1.00 . A A . 6 TRP HD1 1 1 9 2257 1 1 6 TRP HE1 H 10.751 -1.635 -6.925 1.00 . A A . 6 TRP HE1 1 1 9 2258 1 1 6 TRP HE3 H 10.536 -6.541 -4.814 1.00 . A A . 6 TRP HE3 1 1 9 2259 1 1 6 TRP HH2 H 13.317 -5.758 -7.958 1.00 . A A . 6 TRP HH2 1 1 9 2260 1 1 6 TRP HZ2 H 12.588 -3.417 -8.115 1.00 . A A . 6 TRP HZ2 1 1 9 2261 1 1 6 TRP HZ3 H 12.313 -7.289 -6.343 1.00 . A A . 6 TRP HZ3 1 1 9 2262 1 1 6 TRP N N 8.502 -5.527 -1.692 1.00 . A A . 6 TRP N 1 1 9 2263 1 1 6 TRP NE1 N 10.535 -2.433 -6.398 1.00 . A A . 6 TRP NE1 1 1 9 2264 1 1 6 TRP O O 11.721 -5.434 -2.788 1.00 . A A . 6 TRP O 1 1 9 2265 1 1 7 LYS C C 12.071 -2.980 0.197 1.00 . A A . 7 LYS C 1 1 9 2266 1 1 7 LYS CA C 12.035 -3.102 -1.323 1.00 . A A . 7 LYS CA 1 1 9 2267 1 1 7 LYS CB C 12.255 -1.729 -1.961 1.00 . A A . 7 LYS CB 1 1 9 2268 1 1 7 LYS CD C 13.778 -2.747 -3.678 1.00 . A A . 7 LYS CD 1 1 9 2269 1 1 7 LYS CE C 14.331 -2.602 -5.088 1.00 . A A . 7 LYS CE 1 1 9 2270 1 1 7 LYS CG C 12.620 -1.795 -3.434 1.00 . A A . 7 LYS CG 1 1 9 2271 1 1 7 LYS H H 9.932 -3.208 -1.545 1.00 . A A . 7 LYS H 1 1 9 2272 1 1 7 LYS HA H 12.825 -3.768 -1.637 1.00 . A A . 7 LYS HA 1 1 9 2273 1 1 7 LYS HB2 H 11.348 -1.150 -1.862 1.00 . A A . 7 LYS HB2 1 1 9 2274 1 1 7 LYS HB3 H 13.053 -1.226 -1.436 1.00 . A A . 7 LYS HB3 1 1 9 2275 1 1 7 LYS HD2 H 14.566 -2.533 -2.972 1.00 . A A . 7 LYS HD2 1 1 9 2276 1 1 7 LYS HD3 H 13.434 -3.763 -3.540 1.00 . A A . 7 LYS HD3 1 1 9 2277 1 1 7 LYS HE2 H 13.517 -2.372 -5.758 1.00 . A A . 7 LYS HE2 1 1 9 2278 1 1 7 LYS HE3 H 15.045 -1.791 -5.099 1.00 . A A . 7 LYS HE3 1 1 9 2279 1 1 7 LYS HG2 H 11.762 -2.137 -3.994 1.00 . A A . 7 LYS HG2 1 1 9 2280 1 1 7 LYS HG3 H 12.901 -0.807 -3.770 1.00 . A A . 7 LYS HG3 1 1 9 2281 1 1 7 LYS HZ1 H 14.811 -4.004 -6.560 1.00 . A A . 7 LYS HZ1 1 1 9 2282 1 1 7 LYS HZ2 H 14.656 -4.664 -5.010 1.00 . A A . 7 LYS HZ2 1 1 9 2283 1 1 7 LYS HZ3 H 16.033 -3.768 -5.415 1.00 . A A . 7 LYS HZ3 1 1 9 2284 1 1 7 LYS N N 10.767 -3.670 -1.768 1.00 . A A . 7 LYS N 1 1 9 2285 1 1 7 LYS NZ N 15.005 -3.847 -5.552 1.00 . A A . 7 LYS NZ 1 1 9 2286 1 1 7 LYS O O 12.462 -3.916 0.896 1.00 . A A . 7 LYS O 1 1 9 2287 1 1 8 ARG C C 10.238 -1.236 2.620 1.00 . A A . 8 ARG C 1 1 9 2288 1 1 8 ARG CA C 11.646 -1.578 2.140 1.00 . A A . 8 ARG CA 1 1 9 2289 1 1 8 ARG CB C 12.606 -0.442 2.496 1.00 . A A . 8 ARG CB 1 1 9 2290 1 1 8 ARG CD C 14.985 0.358 2.349 1.00 . A A . 8 ARG CD 1 1 9 2291 1 1 8 ARG CG C 14.070 -0.851 2.468 1.00 . A A . 8 ARG CG 1 1 9 2292 1 1 8 ARG CZ C 17.185 -0.610 1.833 1.00 . A A . 8 ARG CZ 1 1 9 2293 1 1 8 ARG H H 11.360 -1.114 0.095 1.00 . A A . 8 ARG H 1 1 9 2294 1 1 8 ARG HA H 11.971 -2.481 2.634 1.00 . A A . 8 ARG HA 1 1 9 2295 1 1 8 ARG HB2 H 12.469 0.366 1.792 1.00 . A A . 8 ARG HB2 1 1 9 2296 1 1 8 ARG HB3 H 12.373 -0.087 3.488 1.00 . A A . 8 ARG HB3 1 1 9 2297 1 1 8 ARG HD2 H 14.936 0.730 1.336 1.00 . A A . 8 ARG HD2 1 1 9 2298 1 1 8 ARG HD3 H 14.640 1.122 3.029 1.00 . A A . 8 ARG HD3 1 1 9 2299 1 1 8 ARG HE H 16.711 0.297 3.546 1.00 . A A . 8 ARG HE 1 1 9 2300 1 1 8 ARG HG2 H 14.306 -1.377 3.381 1.00 . A A . 8 ARG HG2 1 1 9 2301 1 1 8 ARG HG3 H 14.236 -1.503 1.623 1.00 . A A . 8 ARG HG3 1 1 9 2302 1 1 8 ARG HH11 H 15.813 -0.786 0.362 1.00 . A A . 8 ARG HH11 1 1 9 2303 1 1 8 ARG HH12 H 17.368 -1.464 0.011 1.00 . A A . 8 ARG HH12 1 1 9 2304 1 1 8 ARG HH21 H 19.046 -1.353 1.567 1.00 . A A . 8 ARG HH21 1 1 9 2305 1 1 8 ARG HH22 H 18.764 -0.591 3.096 1.00 . A A . 8 ARG HH22 1 1 9 2306 1 1 8 ARG N N 11.660 -1.822 0.703 1.00 . A A . 8 ARG N 1 1 9 2307 1 1 8 ARG NE N 16.372 0.029 2.667 1.00 . A A . 8 ARG NE 1 1 9 2308 1 1 8 ARG NH1 N 16.753 -0.984 0.637 1.00 . A A . 8 ARG NH1 1 1 9 2309 1 1 8 ARG NH2 N 18.435 -0.873 2.195 1.00 . A A . 8 ARG NH2 1 1 9 2310 1 1 8 ARG O O 9.393 -2.117 2.777 1.00 . A A . 8 ARG O 1 1 9 2311 1 1 9 LYS C C 8.105 1.542 2.352 1.00 . A A . 9 LYS C 1 1 9 2312 1 1 9 LYS CA C 8.688 0.509 3.311 1.00 . A A . 9 LYS CA 1 1 9 2313 1 1 9 LYS CB C 8.802 1.108 4.714 1.00 . A A . 9 LYS CB 1 1 9 2314 1 1 9 LYS CD C 10.031 0.646 6.856 1.00 . A A . 9 LYS CD 1 1 9 2315 1 1 9 LYS CE C 10.651 -0.458 7.700 1.00 . A A . 9 LYS CE 1 1 9 2316 1 1 9 LYS CG C 9.106 0.081 5.792 1.00 . A A . 9 LYS CG 1 1 9 2317 1 1 9 LYS H H 10.708 0.705 2.706 1.00 . A A . 9 LYS H 1 1 9 2318 1 1 9 LYS HA H 8.029 -0.345 3.345 1.00 . A A . 9 LYS HA 1 1 9 2319 1 1 9 LYS HB2 H 9.592 1.844 4.715 1.00 . A A . 9 LYS HB2 1 1 9 2320 1 1 9 LYS HB3 H 7.869 1.594 4.963 1.00 . A A . 9 LYS HB3 1 1 9 2321 1 1 9 LYS HD2 H 10.822 1.202 6.375 1.00 . A A . 9 LYS HD2 1 1 9 2322 1 1 9 LYS HD3 H 9.465 1.304 7.500 1.00 . A A . 9 LYS HD3 1 1 9 2323 1 1 9 LYS HE2 H 9.976 -0.697 8.507 1.00 . A A . 9 LYS HE2 1 1 9 2324 1 1 9 LYS HE3 H 10.792 -1.331 7.079 1.00 . A A . 9 LYS HE3 1 1 9 2325 1 1 9 LYS HG2 H 8.180 -0.222 6.258 1.00 . A A . 9 LYS HG2 1 1 9 2326 1 1 9 LYS HG3 H 9.579 -0.777 5.334 1.00 . A A . 9 LYS HG3 1 1 9 2327 1 1 9 LYS HZ1 H 12.398 -0.849 8.774 1.00 . A A . 9 LYS HZ1 1 1 9 2328 1 1 9 LYS HZ2 H 11.835 0.738 8.935 1.00 . A A . 9 LYS HZ2 1 1 9 2329 1 1 9 LYS HZ3 H 12.604 0.254 7.509 1.00 . A A . 9 LYS HZ3 1 1 9 2330 1 1 9 LYS N N 9.993 0.050 2.850 1.00 . A A . 9 LYS N 1 1 9 2331 1 1 9 LYS NZ N 11.964 -0.050 8.269 1.00 . A A . 9 LYS NZ 1 1 9 2332 1 1 9 LYS O O 7.160 1.256 1.616 1.00 . A A . 9 LYS O 1 1 9 2333 1 1 10 CYS C C 8.681 3.597 0.060 1.00 . A A . 10 CYS C 1 1 9 2334 1 1 10 CYS CA C 8.212 3.817 1.495 1.00 . A A . 10 CYS CA 1 1 9 2335 1 1 10 CYS CB C 8.716 5.168 2.006 1.00 . A A . 10 CYS CB 1 1 9 2336 1 1 10 CYS H H 9.425 2.909 2.974 1.00 . A A . 10 CYS H 1 1 9 2337 1 1 10 CYS HA H 7.133 3.815 1.512 1.00 . A A . 10 CYS HA 1 1 9 2338 1 1 10 CYS HB2 H 9.432 5.001 2.797 1.00 . A A . 10 CYS HB2 1 1 9 2339 1 1 10 CYS HB3 H 9.201 5.692 1.196 1.00 . A A . 10 CYS HB3 1 1 9 2340 1 1 10 CYS HG H 7.948 6.992 3.613 1.00 . A A . 10 CYS HG 1 1 9 2341 1 1 10 CYS N N 8.676 2.742 2.365 1.00 . A A . 10 CYS N 1 1 9 2342 1 1 10 CYS O O 7.883 3.419 -0.860 1.00 . A A . 10 CYS O 1 1 9 2343 1 1 10 CYS SG S 7.416 6.241 2.661 1.00 . A A . 10 CYS SG 1 1 9 2344 1 1 11 PRO C C 10.453 1.982 -1.963 1.00 . A A . 11 PRO C 1 1 9 2345 1 1 11 PRO CA C 10.614 3.412 -1.458 1.00 . A A . 11 PRO CA 1 1 9 2346 1 1 11 PRO CB C 12.092 3.732 -1.221 1.00 . A A . 11 PRO CB 1 1 9 2347 1 1 11 PRO CD C 11.019 3.814 0.913 1.00 . A A . 11 PRO CD 1 1 9 2348 1 1 11 PRO CG C 12.310 3.463 0.227 1.00 . A A . 11 PRO CG 1 1 9 2349 1 1 11 PRO HA H 10.207 4.097 -2.187 1.00 . A A . 11 PRO HA 1 1 9 2350 1 1 11 PRO HB2 H 12.705 3.091 -1.840 1.00 . A A . 11 PRO HB2 1 1 9 2351 1 1 11 PRO HB3 H 12.283 4.766 -1.465 1.00 . A A . 11 PRO HB3 1 1 9 2352 1 1 11 PRO HD2 H 10.846 3.154 1.750 1.00 . A A . 11 PRO HD2 1 1 9 2353 1 1 11 PRO HD3 H 11.032 4.843 1.238 1.00 . A A . 11 PRO HD3 1 1 9 2354 1 1 11 PRO HG2 H 12.543 2.420 0.376 1.00 . A A . 11 PRO HG2 1 1 9 2355 1 1 11 PRO HG3 H 13.112 4.084 0.599 1.00 . A A . 11 PRO HG3 1 1 9 2356 1 1 11 PRO N N 10.008 3.608 -0.137 1.00 . A A . 11 PRO N 1 1 9 2357 1 1 11 PRO O O 10.885 1.031 -1.311 1.00 . A A . 11 PRO O 1 1 9 2358 1 1 12 LEU C C 10.241 0.439 -5.107 1.00 . A A . 12 LEU C 1 1 9 2359 1 1 12 LEU CA C 9.612 0.522 -3.720 1.00 . A A . 12 LEU CA 1 1 9 2360 1 1 12 LEU CB C 8.114 0.222 -3.808 1.00 . A A . 12 LEU CB 1 1 9 2361 1 1 12 LEU CD1 C 7.072 2.411 -4.445 1.00 . A A . 12 LEU CD1 1 1 9 2362 1 1 12 LEU CD2 C 5.802 0.790 -3.024 1.00 . A A . 12 LEU CD2 1 1 9 2363 1 1 12 LEU CG C 7.178 1.346 -3.364 1.00 . A A . 12 LEU CG 1 1 9 2364 1 1 12 LEU H H 9.508 2.632 -3.599 1.00 . A A . 12 LEU H 1 1 9 2365 1 1 12 LEU HA H 10.080 -0.211 -3.081 1.00 . A A . 12 LEU HA 1 1 9 2366 1 1 12 LEU HB2 H 7.885 -0.012 -4.836 1.00 . A A . 12 LEU HB2 1 1 9 2367 1 1 12 LEU HB3 H 7.914 -0.641 -3.190 1.00 . A A . 12 LEU HB3 1 1 9 2368 1 1 12 LEU HD11 H 8.061 2.706 -4.757 1.00 . A A . 12 LEU HD11 1 1 9 2369 1 1 12 LEU HD12 H 6.546 3.270 -4.054 1.00 . A A . 12 LEU HD12 1 1 9 2370 1 1 12 LEU HD13 H 6.530 2.013 -5.290 1.00 . A A . 12 LEU HD13 1 1 9 2371 1 1 12 LEU HD21 H 5.591 0.967 -1.979 1.00 . A A . 12 LEU HD21 1 1 9 2372 1 1 12 LEU HD22 H 5.784 -0.270 -3.222 1.00 . A A . 12 LEU HD22 1 1 9 2373 1 1 12 LEU HD23 H 5.055 1.283 -3.631 1.00 . A A . 12 LEU HD23 1 1 9 2374 1 1 12 LEU HG H 7.580 1.812 -2.476 1.00 . A A . 12 LEU HG 1 1 9 2375 1 1 12 LEU N N 9.829 1.837 -3.127 1.00 . A A . 12 LEU N 1 1 9 2376 1 1 12 LEU O O 11.359 -0.054 -5.264 1.00 . A A . 12 LEU O 1 1 9 2377 1 1 13 PHE C C 10.540 2.280 -7.889 1.00 . A A . 13 PHE C 1 1 9 2378 1 1 13 PHE CA C 10.007 0.910 -7.483 1.00 . A A . 13 PHE CA 1 1 9 2379 1 1 13 PHE CB C 8.890 0.481 -8.438 1.00 . A A . 13 PHE CB 1 1 9 2380 1 1 13 PHE CD1 C 7.176 -0.683 -7.023 1.00 . A A . 13 PHE CD1 1 1 9 2381 1 1 13 PHE CD2 C 8.466 -1.991 -8.544 1.00 . A A . 13 PHE CD2 1 1 9 2382 1 1 13 PHE CE1 C 6.504 -1.819 -6.611 1.00 . A A . 13 PHE CE1 1 1 9 2383 1 1 13 PHE CE2 C 7.797 -3.130 -8.136 1.00 . A A . 13 PHE CE2 1 1 9 2384 1 1 13 PHE CG C 8.163 -0.756 -7.992 1.00 . A A . 13 PHE CG 1 1 9 2385 1 1 13 PHE CZ C 6.816 -3.044 -7.168 1.00 . A A . 13 PHE CZ 1 1 9 2386 1 1 13 PHE H H 8.635 1.307 -5.920 1.00 . A A . 13 PHE H 1 1 9 2387 1 1 13 PHE HA H 10.812 0.193 -7.538 1.00 . A A . 13 PHE HA 1 1 9 2388 1 1 13 PHE HB2 H 8.169 1.279 -8.518 1.00 . A A . 13 PHE HB2 1 1 9 2389 1 1 13 PHE HB3 H 9.315 0.285 -9.411 1.00 . A A . 13 PHE HB3 1 1 9 2390 1 1 13 PHE HD1 H 6.932 0.274 -6.586 1.00 . A A . 13 PHE HD1 1 1 9 2391 1 1 13 PHE HD2 H 9.234 -2.059 -9.300 1.00 . A A . 13 PHE HD2 1 1 9 2392 1 1 13 PHE HE1 H 5.737 -1.748 -5.854 1.00 . A A . 13 PHE HE1 1 1 9 2393 1 1 13 PHE HE2 H 8.044 -4.086 -8.573 1.00 . A A . 13 PHE HE2 1 1 9 2394 1 1 13 PHE HZ H 6.292 -3.932 -6.849 1.00 . A A . 13 PHE HZ 1 1 9 2395 1 1 13 PHE N N 9.518 0.927 -6.109 1.00 . A A . 13 PHE N 1 1 9 2396 1 1 13 PHE O O 11.516 2.771 -7.324 1.00 . A A . 13 PHE O 1 1 9 2397 1 1 14 GLY C C 9.260 5.268 -9.105 1.00 . A A . 14 GLY C 1 1 9 2398 1 1 14 GLY CA C 10.312 4.202 -9.339 1.00 . A A . 14 GLY CA 1 1 9 2399 1 1 14 GLY H H 9.117 2.454 -9.287 1.00 . A A . 14 GLY H 1 1 9 2400 1 1 14 GLY HA2 H 11.216 4.483 -8.819 1.00 . A A . 14 GLY HA2 1 1 9 2401 1 1 14 GLY HA3 H 10.521 4.144 -10.398 1.00 . A A . 14 GLY HA3 1 1 9 2402 1 1 14 GLY N N 9.889 2.894 -8.874 1.00 . A A . 14 GLY N 1 1 9 2403 1 1 14 GLY O O 9.295 6.332 -9.725 1.00 . A A . 14 GLY O 1 1 9 2404 1 1 15 LYS C C 7.550 6.672 -6.601 1.00 . A A . 15 LYS C 1 1 9 2405 1 1 15 LYS CA C 7.252 5.925 -7.898 1.00 . A A . 15 LYS CA 1 1 9 2406 1 1 15 LYS CB C 5.915 5.190 -7.780 1.00 . A A . 15 LYS CB 1 1 9 2407 1 1 15 LYS CD C 5.985 2.851 -8.693 1.00 . A A . 15 LYS CD 1 1 9 2408 1 1 15 LYS CE C 4.874 1.895 -9.100 1.00 . A A . 15 LYS CE 1 1 9 2409 1 1 15 LYS CG C 5.605 4.296 -8.968 1.00 . A A . 15 LYS CG 1 1 9 2410 1 1 15 LYS H H 8.345 4.118 -7.751 1.00 . A A . 15 LYS H 1 1 9 2411 1 1 15 LYS HA H 7.190 6.639 -8.704 1.00 . A A . 15 LYS HA 1 1 9 2412 1 1 15 LYS HB2 H 5.931 4.578 -6.890 1.00 . A A . 15 LYS HB2 1 1 9 2413 1 1 15 LYS HB3 H 5.123 5.921 -7.690 1.00 . A A . 15 LYS HB3 1 1 9 2414 1 1 15 LYS HD2 H 6.875 2.609 -9.254 1.00 . A A . 15 LYS HD2 1 1 9 2415 1 1 15 LYS HD3 H 6.179 2.734 -7.636 1.00 . A A . 15 LYS HD3 1 1 9 2416 1 1 15 LYS HE2 H 4.959 0.994 -8.514 1.00 . A A . 15 LYS HE2 1 1 9 2417 1 1 15 LYS HE3 H 3.922 2.365 -8.900 1.00 . A A . 15 LYS HE3 1 1 9 2418 1 1 15 LYS HG2 H 4.546 4.345 -9.177 1.00 . A A . 15 LYS HG2 1 1 9 2419 1 1 15 LYS HG3 H 6.160 4.648 -9.826 1.00 . A A . 15 LYS HG3 1 1 9 2420 1 1 15 LYS HZ1 H 5.866 1.830 -10.937 1.00 . A A . 15 LYS HZ1 1 1 9 2421 1 1 15 LYS HZ2 H 4.191 2.031 -11.070 1.00 . A A . 15 LYS HZ2 1 1 9 2422 1 1 15 LYS HZ3 H 4.832 0.518 -10.669 1.00 . A A . 15 LYS HZ3 1 1 9 2423 1 1 15 LYS N N 8.320 4.983 -8.212 1.00 . A A . 15 LYS N 1 1 9 2424 1 1 15 LYS NZ N 4.946 1.544 -10.545 1.00 . A A . 15 LYS NZ 1 1 9 2425 1 1 15 LYS O O 8.593 7.309 -6.467 1.00 . A A . 15 LYS O 1 1 9 2426 1 1 16 GLY C C 6.778 6.299 -3.203 1.00 . A A . 16 GLY C 1 1 9 2427 1 1 16 GLY CA C 6.808 7.260 -4.376 1.00 . A A . 16 GLY CA 1 1 9 2428 1 1 16 GLY H H 5.812 6.065 -5.812 1.00 . A A . 16 GLY H 1 1 9 2429 1 1 16 GLY HA2 H 7.759 7.771 -4.385 1.00 . A A . 16 GLY HA2 1 1 9 2430 1 1 16 GLY HA3 H 6.021 7.988 -4.250 1.00 . A A . 16 GLY HA3 1 1 9 2431 1 1 16 GLY N N 6.625 6.588 -5.649 1.00 . A A . 16 GLY N 1 1 9 2432 1 1 16 GLY O O 7.760 6.166 -2.476 1.00 . A A . 16 GLY O 1 1 9 2433 1 1 17 GLY C C 4.112 4.670 -1.341 1.00 . A A . 17 GLY C 1 1 9 2434 1 1 17 GLY CA C 5.511 4.684 -1.925 1.00 . A A . 17 GLY CA 1 1 9 2435 1 1 17 GLY H H 4.894 5.774 -3.632 1.00 . A A . 17 GLY H 1 1 9 2436 1 1 17 GLY HA2 H 5.750 3.695 -2.285 1.00 . A A . 17 GLY HA2 1 1 9 2437 1 1 17 GLY HA3 H 6.210 4.953 -1.146 1.00 . A A . 17 GLY HA3 1 1 9 2438 1 1 17 GLY N N 5.645 5.628 -3.019 1.00 . A A . 17 GLY N 1 1 9 2439 1 1 17 GLY O O 3.732 5.575 -0.598 1.00 . A A . 17 GLY O 1 1 10 2440 1 1 1 PTL C1 C 3.104 -2.319 0.118 1.00 . A A . 1 PTL C1 1 1 10 2441 1 1 1 PTL C2 C 2.207 -1.407 0.950 1.00 . A A . 1 PTL C2 1 1 10 2442 1 1 1 PTL C3 C 1.511 -2.219 2.044 1.00 . A A . 1 PTL C3 1 1 10 2443 1 1 1 PTL C4 C 1.924 -1.820 3.451 1.00 . A A . 1 PTL C4 1 1 10 2444 1 1 1 PTL C5 C 3.401 -1.955 3.681 1.00 . A A . 1 PTL C5 1 1 10 2445 1 1 1 PTL H21 H 1.469 -0.911 0.320 1.00 . A A . 1 PTL H21 1 1 10 2446 1 1 1 PTL H22 H 2.815 -0.646 1.411 1.00 . A A . 1 PTL H22 1 1 10 2447 1 1 1 PTL H31 H 0.444 -2.083 1.953 1.00 . A A . 1 PTL H31 1 1 10 2448 1 1 1 PTL H32 H 1.745 -3.264 1.906 1.00 . A A . 1 PTL H32 1 1 10 2449 1 1 1 PTL H41 H 1.641 -0.791 3.618 1.00 . A A . 1 PTL H41 1 1 10 2450 1 1 1 PTL H42 H 1.405 -2.453 4.157 1.00 . A A . 1 PTL H42 1 1 10 2451 1 1 1 PTL H51 H 3.699 -2.992 3.526 1.00 . A A . 1 PTL H51 1 1 10 2452 1 1 1 PTL H52 H 3.638 -1.657 4.701 1.00 . A A . 1 PTL H52 1 1 10 2453 1 1 1 PTL H53 H 3.936 -1.314 2.980 1.00 . A A . 1 PTL H53 1 1 10 2454 1 1 1 PTL O1 O 3.683 -3.276 0.634 1.00 . A A . 1 PTL O1 1 1 10 2455 1 1 2 VAL C C 5.493 -2.846 -1.598 1.00 . A A . 2 VAL C 1 1 10 2456 1 1 2 VAL CA C 4.044 -2.807 -2.073 1.00 . A A . 2 VAL CA 1 1 10 2457 1 1 2 VAL CB C 4.002 -2.248 -3.508 1.00 . A A . 2 VAL CB 1 1 10 2458 1 1 2 VAL CG1 C 4.989 -2.988 -4.399 1.00 . A A . 2 VAL CG1 1 1 10 2459 1 1 2 VAL CG2 C 2.593 -2.337 -4.073 1.00 . A A . 2 VAL CG2 1 1 10 2460 1 1 2 VAL H H 2.731 -1.240 -1.524 1.00 . A A . 2 VAL H 1 1 10 2461 1 1 2 VAL HA H 3.653 -3.814 -2.089 1.00 . A A . 2 VAL HA 1 1 10 2462 1 1 2 VAL HB H 4.290 -1.208 -3.476 1.00 . A A . 2 VAL HB 1 1 10 2463 1 1 2 VAL HG11 H 5.939 -2.472 -4.388 1.00 . A A . 2 VAL HG11 1 1 10 2464 1 1 2 VAL HG12 H 5.122 -3.995 -4.031 1.00 . A A . 2 VAL HG12 1 1 10 2465 1 1 2 VAL HG13 H 4.609 -3.020 -5.408 1.00 . A A . 2 VAL HG13 1 1 10 2466 1 1 2 VAL HG21 H 2.622 -2.186 -5.141 1.00 . A A . 2 VAL HG21 1 1 10 2467 1 1 2 VAL HG22 H 2.180 -3.311 -3.857 1.00 . A A . 2 VAL HG22 1 1 10 2468 1 1 2 VAL HG23 H 1.974 -1.576 -3.619 1.00 . A A . 2 VAL HG23 1 1 10 2469 1 1 2 VAL N N 3.216 -2.015 -1.171 1.00 . A A . 2 VAL N 1 1 10 2470 1 1 2 VAL O O 6.253 -3.741 -1.965 1.00 . A A . 2 VAL O 1 1 10 2471 1 1 3 ALA C C 7.563 -3.035 0.570 1.00 . A A . 3 ALA C 1 1 10 2472 1 1 3 ALA CA C 7.223 -1.794 -0.249 1.00 . A A . 3 ALA CA 1 1 10 2473 1 1 3 ALA CB C 7.392 -0.540 0.595 1.00 . A A . 3 ALA CB 1 1 10 2474 1 1 3 ALA H H 5.216 -1.184 -0.522 1.00 . A A . 3 ALA H 1 1 10 2475 1 1 3 ALA HA H 7.905 -1.730 -1.085 1.00 . A A . 3 ALA HA 1 1 10 2476 1 1 3 ALA HB1 H 8.444 -0.348 0.750 1.00 . A A . 3 ALA HB1 1 1 10 2477 1 1 3 ALA HB2 H 6.944 0.300 0.084 1.00 . A A . 3 ALA HB2 1 1 10 2478 1 1 3 ALA HB3 H 6.907 -0.680 1.549 1.00 . A A . 3 ALA HB3 1 1 10 2479 1 1 3 ALA N N 5.867 -1.870 -0.778 1.00 . A A . 3 ALA N 1 1 10 2480 1 1 3 ALA O O 8.655 -3.589 0.451 1.00 . A A . 3 ALA O 1 1 10 2481 1 1 4 ARG C C 7.062 -5.882 1.392 1.00 . A A . 4 ARG C 1 1 10 2482 1 1 4 ARG CA C 6.822 -4.639 2.243 1.00 . A A . 4 ARG CA 1 1 10 2483 1 1 4 ARG CB C 5.610 -4.856 3.150 1.00 . A A . 4 ARG CB 1 1 10 2484 1 1 4 ARG CD C 4.850 -7.253 3.165 1.00 . A A . 4 ARG CD 1 1 10 2485 1 1 4 ARG CG C 5.638 -6.179 3.899 1.00 . A A . 4 ARG CG 1 1 10 2486 1 1 4 ARG CZ C 2.698 -7.336 4.351 1.00 . A A . 4 ARG CZ 1 1 10 2487 1 1 4 ARG H H 5.770 -2.981 1.453 1.00 . A A . 4 ARG H 1 1 10 2488 1 1 4 ARG HA H 7.692 -4.463 2.856 1.00 . A A . 4 ARG HA 1 1 10 2489 1 1 4 ARG HB2 H 5.569 -4.058 3.876 1.00 . A A . 4 ARG HB2 1 1 10 2490 1 1 4 ARG HB3 H 4.714 -4.828 2.548 1.00 . A A . 4 ARG HB3 1 1 10 2491 1 1 4 ARG HD2 H 4.343 -6.798 2.327 1.00 . A A . 4 ARG HD2 1 1 10 2492 1 1 4 ARG HD3 H 5.538 -8.002 2.805 1.00 . A A . 4 ARG HD3 1 1 10 2493 1 1 4 ARG HE H 4.074 -8.779 4.384 1.00 . A A . 4 ARG HE 1 1 10 2494 1 1 4 ARG HG2 H 6.663 -6.504 3.996 1.00 . A A . 4 ARG HG2 1 1 10 2495 1 1 4 ARG HG3 H 5.209 -6.036 4.880 1.00 . A A . 4 ARG HG3 1 1 10 2496 1 1 4 ARG HH11 H 3.018 -5.648 3.288 1.00 . A A . 4 ARG HH11 1 1 10 2497 1 1 4 ARG HH12 H 1.505 -5.720 4.128 1.00 . A A . 4 ARG HH12 1 1 10 2498 1 1 4 ARG HH21 H 0.976 -7.561 5.385 1.00 . A A . 4 ARG HH21 1 1 10 2499 1 1 4 ARG HH22 H 2.086 -8.885 5.496 1.00 . A A . 4 ARG HH22 1 1 10 2500 1 1 4 ARG N N 6.621 -3.465 1.403 1.00 . A A . 4 ARG N 1 1 10 2501 1 1 4 ARG NE N 3.861 -7.892 4.028 1.00 . A A . 4 ARG NE 1 1 10 2502 1 1 4 ARG NH1 N 2.381 -6.136 3.885 1.00 . A A . 4 ARG NH1 1 1 10 2503 1 1 4 ARG NH2 N 1.851 -7.981 5.142 1.00 . A A . 4 ARG NH2 1 1 10 2504 1 1 4 ARG O O 7.569 -6.892 1.878 1.00 . A A . 4 ARG O 1 1 10 2505 1 1 5 GLY C C 7.840 -6.614 -1.911 1.00 . A A . 5 GLY C 1 1 10 2506 1 1 5 GLY CA C 6.878 -6.926 -0.782 1.00 . A A . 5 GLY CA 1 1 10 2507 1 1 5 GLY H H 6.296 -4.970 -0.217 1.00 . A A . 5 GLY H 1 1 10 2508 1 1 5 GLY HA2 H 7.260 -7.763 -0.218 1.00 . A A . 5 GLY HA2 1 1 10 2509 1 1 5 GLY HA3 H 5.922 -7.194 -1.204 1.00 . A A . 5 GLY HA3 1 1 10 2510 1 1 5 GLY N N 6.695 -5.800 0.116 1.00 . A A . 5 GLY N 1 1 10 2511 1 1 5 GLY O O 8.060 -7.443 -2.794 1.00 . A A . 5 GLY O 1 1 10 2512 1 1 6 TRP C C 10.720 -4.683 -2.313 1.00 . A A . 6 TRP C 1 1 10 2513 1 1 6 TRP CA C 9.355 -4.997 -2.917 1.00 . A A . 6 TRP CA 1 1 10 2514 1 1 6 TRP CB C 8.819 -3.772 -3.660 1.00 . A A . 6 TRP CB 1 1 10 2515 1 1 6 TRP CD1 C 9.989 -1.804 -4.811 1.00 . A A . 6 TRP CD1 1 1 10 2516 1 1 6 TRP CD2 C 10.817 -3.813 -5.354 1.00 . A A . 6 TRP CD2 1 1 10 2517 1 1 6 TRP CE2 C 11.542 -2.825 -6.048 1.00 . A A . 6 TRP CE2 1 1 10 2518 1 1 6 TRP CE3 C 11.162 -5.155 -5.536 1.00 . A A . 6 TRP CE3 1 1 10 2519 1 1 6 TRP CG C 9.829 -3.139 -4.567 1.00 . A A . 6 TRP CG 1 1 10 2520 1 1 6 TRP CH2 C 12.904 -4.460 -7.072 1.00 . A A . 6 TRP CH2 1 1 10 2521 1 1 6 TRP CZ2 C 12.589 -3.139 -6.912 1.00 . A A . 6 TRP CZ2 1 1 10 2522 1 1 6 TRP CZ3 C 12.200 -5.464 -6.394 1.00 . A A . 6 TRP CZ3 1 1 10 2523 1 1 6 TRP H H 8.197 -4.799 -1.155 1.00 . A A . 6 TRP H 1 1 10 2524 1 1 6 TRP HA H 9.464 -5.812 -3.617 1.00 . A A . 6 TRP HA 1 1 10 2525 1 1 6 TRP HB2 H 7.970 -4.065 -4.259 1.00 . A A . 6 TRP HB2 1 1 10 2526 1 1 6 TRP HB3 H 8.506 -3.032 -2.938 1.00 . A A . 6 TRP HB3 1 1 10 2527 1 1 6 TRP HD1 H 9.386 -1.028 -4.364 1.00 . A A . 6 TRP HD1 1 1 10 2528 1 1 6 TRP HE1 H 11.325 -0.738 -6.031 1.00 . A A . 6 TRP HE1 1 1 10 2529 1 1 6 TRP HE3 H 10.631 -5.943 -5.023 1.00 . A A . 6 TRP HE3 1 1 10 2530 1 1 6 TRP HH2 H 13.708 -4.749 -7.732 1.00 . A A . 6 TRP HH2 1 1 10 2531 1 1 6 TRP HZ2 H 13.141 -2.377 -7.441 1.00 . A A . 6 TRP HZ2 1 1 10 2532 1 1 6 TRP HZ3 H 12.480 -6.496 -6.549 1.00 . A A . 6 TRP HZ3 1 1 10 2533 1 1 6 TRP N N 8.414 -5.417 -1.885 1.00 . A A . 6 TRP N 1 1 10 2534 1 1 6 TRP NE1 N 11.017 -1.609 -5.700 1.00 . A A . 6 TRP NE1 1 1 10 2535 1 1 6 TRP O O 11.659 -5.470 -2.432 1.00 . A A . 6 TRP O 1 1 10 2536 1 1 7 LYS C C 11.919 -3.020 0.477 1.00 . A A . 7 LYS C 1 1 10 2537 1 1 7 LYS CA C 12.072 -3.110 -1.038 1.00 . A A . 7 LYS CA 1 1 10 2538 1 1 7 LYS CB C 12.519 -1.759 -1.598 1.00 . A A . 7 LYS CB 1 1 10 2539 1 1 7 LYS CD C 14.180 -2.864 -3.122 1.00 . A A . 7 LYS CD 1 1 10 2540 1 1 7 LYS CE C 14.910 -2.756 -4.454 1.00 . A A . 7 LYS CE 1 1 10 2541 1 1 7 LYS CG C 13.067 -1.836 -3.012 1.00 . A A . 7 LYS CG 1 1 10 2542 1 1 7 LYS H H 10.038 -2.943 -1.601 1.00 . A A . 7 LYS H 1 1 10 2543 1 1 7 LYS HA H 12.822 -3.852 -1.268 1.00 . A A . 7 LYS HA 1 1 10 2544 1 1 7 LYS HB2 H 11.673 -1.086 -1.599 1.00 . A A . 7 LYS HB2 1 1 10 2545 1 1 7 LYS HB3 H 13.289 -1.354 -0.958 1.00 . A A . 7 LYS HB3 1 1 10 2546 1 1 7 LYS HD2 H 14.889 -2.702 -2.324 1.00 . A A . 7 LYS HD2 1 1 10 2547 1 1 7 LYS HD3 H 13.755 -3.854 -3.034 1.00 . A A . 7 LYS HD3 1 1 10 2548 1 1 7 LYS HE2 H 15.027 -3.745 -4.866 1.00 . A A . 7 LYS HE2 1 1 10 2549 1 1 7 LYS HE3 H 14.317 -2.154 -5.126 1.00 . A A . 7 LYS HE3 1 1 10 2550 1 1 7 LYS HG2 H 12.269 -2.115 -3.684 1.00 . A A . 7 LYS HG2 1 1 10 2551 1 1 7 LYS HG3 H 13.455 -0.867 -3.293 1.00 . A A . 7 LYS HG3 1 1 10 2552 1 1 7 LYS HZ1 H 16.195 -1.109 -4.480 1.00 . A A . 7 LYS HZ1 1 1 10 2553 1 1 7 LYS HZ2 H 16.922 -2.554 -4.976 1.00 . A A . 7 LYS HZ2 1 1 10 2554 1 1 7 LYS HZ3 H 16.610 -2.283 -3.336 1.00 . A A . 7 LYS HZ3 1 1 10 2555 1 1 7 LYS N N 10.823 -3.528 -1.663 1.00 . A A . 7 LYS N 1 1 10 2556 1 1 7 LYS NZ N 16.253 -2.132 -4.300 1.00 . A A . 7 LYS NZ 1 1 10 2557 1 1 7 LYS O O 12.100 -4.008 1.188 1.00 . A A . 7 LYS O 1 1 10 2558 1 1 8 ARG C C 10.002 -1.097 2.695 1.00 . A A . 8 ARG C 1 1 10 2559 1 1 8 ARG CA C 11.406 -1.611 2.393 1.00 . A A . 8 ARG CA 1 1 10 2560 1 1 8 ARG CB C 12.447 -0.617 2.911 1.00 . A A . 8 ARG CB 1 1 10 2561 1 1 8 ARG CD C 14.881 -0.108 2.552 1.00 . A A . 8 ARG CD 1 1 10 2562 1 1 8 ARG CG C 13.861 -1.170 2.931 1.00 . A A . 8 ARG CG 1 1 10 2563 1 1 8 ARG CZ C 16.958 -1.388 2.249 1.00 . A A . 8 ARG CZ 1 1 10 2564 1 1 8 ARG H H 11.453 -1.080 0.345 1.00 . A A . 8 ARG H 1 1 10 2565 1 1 8 ARG HA H 11.546 -2.558 2.894 1.00 . A A . 8 ARG HA 1 1 10 2566 1 1 8 ARG HB2 H 12.435 0.260 2.281 1.00 . A A . 8 ARG HB2 1 1 10 2567 1 1 8 ARG HB3 H 12.182 -0.330 3.918 1.00 . A A . 8 ARG HB3 1 1 10 2568 1 1 8 ARG HD2 H 14.383 0.665 1.986 1.00 . A A . 8 ARG HD2 1 1 10 2569 1 1 8 ARG HD3 H 15.292 0.316 3.456 1.00 . A A . 8 ARG HD3 1 1 10 2570 1 1 8 ARG HE H 15.963 -0.468 0.786 1.00 . A A . 8 ARG HE 1 1 10 2571 1 1 8 ARG HG2 H 14.085 -1.529 3.925 1.00 . A A . 8 ARG HG2 1 1 10 2572 1 1 8 ARG HG3 H 13.928 -1.988 2.229 1.00 . A A . 8 ARG HG3 1 1 10 2573 1 1 8 ARG HH11 H 16.276 -1.312 4.149 1.00 . A A . 8 ARG HH11 1 1 10 2574 1 1 8 ARG HH12 H 17.739 -2.212 3.922 1.00 . A A . 8 ARG HH12 1 1 10 2575 1 1 8 ARG HH21 H 18.656 -2.402 1.831 1.00 . A A . 8 ARG HH21 1 1 10 2576 1 1 8 ARG HH22 H 17.889 -1.650 0.474 1.00 . A A . 8 ARG HH22 1 1 10 2577 1 1 8 ARG N N 11.584 -1.829 0.962 1.00 . A A . 8 ARG N 1 1 10 2578 1 1 8 ARG NE N 15.970 -0.656 1.747 1.00 . A A . 8 ARG NE 1 1 10 2579 1 1 8 ARG NH1 N 16.994 -1.659 3.547 1.00 . A A . 8 ARG NH1 1 1 10 2580 1 1 8 ARG NH2 N 17.913 -1.851 1.452 1.00 . A A . 8 ARG NH2 1 1 10 2581 1 1 8 ARG O O 9.022 -1.836 2.588 1.00 . A A . 8 ARG O 1 1 10 2582 1 1 9 LYS C C 8.405 2.046 2.555 1.00 . A A . 9 LYS C 1 1 10 2583 1 1 9 LYS CA C 8.626 0.788 3.388 1.00 . A A . 9 LYS CA 1 1 10 2584 1 1 9 LYS CB C 8.555 1.132 4.878 1.00 . A A . 9 LYS CB 1 1 10 2585 1 1 9 LYS CD C 9.589 -0.497 6.487 1.00 . A A . 9 LYS CD 1 1 10 2586 1 1 9 LYS CE C 9.331 -1.645 7.451 1.00 . A A . 9 LYS CE 1 1 10 2587 1 1 9 LYS CG C 8.318 -0.075 5.769 1.00 . A A . 9 LYS CG 1 1 10 2588 1 1 9 LYS H H 10.727 0.712 3.139 1.00 . A A . 9 LYS H 1 1 10 2589 1 1 9 LYS HA H 7.850 0.075 3.154 1.00 . A A . 9 LYS HA 1 1 10 2590 1 1 9 LYS HB2 H 9.485 1.594 5.174 1.00 . A A . 9 LYS HB2 1 1 10 2591 1 1 9 LYS HB3 H 7.748 1.833 5.036 1.00 . A A . 9 LYS HB3 1 1 10 2592 1 1 9 LYS HD2 H 10.318 -0.814 5.756 1.00 . A A . 9 LYS HD2 1 1 10 2593 1 1 9 LYS HD3 H 9.976 0.347 7.041 1.00 . A A . 9 LYS HD3 1 1 10 2594 1 1 9 LYS HE2 H 8.327 -2.010 7.295 1.00 . A A . 9 LYS HE2 1 1 10 2595 1 1 9 LYS HE3 H 10.037 -2.436 7.245 1.00 . A A . 9 LYS HE3 1 1 10 2596 1 1 9 LYS HG2 H 7.568 0.173 6.505 1.00 . A A . 9 LYS HG2 1 1 10 2597 1 1 9 LYS HG3 H 7.969 -0.898 5.161 1.00 . A A . 9 LYS HG3 1 1 10 2598 1 1 9 LYS HZ1 H 9.294 -0.201 8.960 1.00 . A A . 9 LYS HZ1 1 1 10 2599 1 1 9 LYS HZ2 H 10.443 -1.420 9.204 1.00 . A A . 9 LYS HZ2 1 1 10 2600 1 1 9 LYS HZ3 H 8.802 -1.738 9.470 1.00 . A A . 9 LYS HZ3 1 1 10 2601 1 1 9 LYS N N 9.910 0.174 3.072 1.00 . A A . 9 LYS N 1 1 10 2602 1 1 9 LYS NZ N 9.477 -1.221 8.870 1.00 . A A . 9 LYS NZ 1 1 10 2603 1 1 9 LYS O O 7.507 2.096 1.714 1.00 . A A . 9 LYS O 1 1 10 2604 1 1 10 CYS C C 9.557 4.143 0.611 1.00 . A A . 10 CYS C 1 1 10 2605 1 1 10 CYS CA C 9.125 4.319 2.063 1.00 . A A . 10 CYS CA 1 1 10 2606 1 1 10 CYS CB C 9.978 5.394 2.735 1.00 . A A . 10 CYS CB 1 1 10 2607 1 1 10 CYS H H 9.927 2.960 3.475 1.00 . A A . 10 CYS H 1 1 10 2608 1 1 10 CYS HA H 8.091 4.627 2.083 1.00 . A A . 10 CYS HA 1 1 10 2609 1 1 10 CYS HB2 H 10.649 4.924 3.439 1.00 . A A . 10 CYS HB2 1 1 10 2610 1 1 10 CYS HB3 H 10.560 5.905 1.982 1.00 . A A . 10 CYS HB3 1 1 10 2611 1 1 10 CYS HG H 8.766 7.636 2.801 1.00 . A A . 10 CYS HG 1 1 10 2612 1 1 10 CYS N N 9.230 3.060 2.793 1.00 . A A . 10 CYS N 1 1 10 2613 1 1 10 CYS O O 8.787 4.368 -0.324 1.00 . A A . 10 CYS O 1 1 10 2614 1 1 10 CYS SG S 9.024 6.640 3.634 1.00 . A A . 10 CYS SG 1 1 10 2615 1 1 11 PRO C C 10.777 2.307 -1.620 1.00 . A A . 11 PRO C 1 1 10 2616 1 1 11 PRO CA C 11.383 3.520 -0.922 1.00 . A A . 11 PRO CA 1 1 10 2617 1 1 11 PRO CB C 12.871 3.291 -0.646 1.00 . A A . 11 PRO CB 1 1 10 2618 1 1 11 PRO CD C 11.793 3.448 1.481 1.00 . A A . 11 PRO CD 1 1 10 2619 1 1 11 PRO CG C 12.923 2.776 0.751 1.00 . A A . 11 PRO CG 1 1 10 2620 1 1 11 PRO HA H 11.262 4.392 -1.548 1.00 . A A . 11 PRO HA 1 1 10 2621 1 1 11 PRO HB2 H 13.262 2.568 -1.349 1.00 . A A . 11 PRO HB2 1 1 10 2622 1 1 11 PRO HB3 H 13.407 4.223 -0.744 1.00 . A A . 11 PRO HB3 1 1 10 2623 1 1 11 PRO HD2 H 11.372 2.780 2.219 1.00 . A A . 11 PRO HD2 1 1 10 2624 1 1 11 PRO HD3 H 12.134 4.362 1.946 1.00 . A A . 11 PRO HD3 1 1 10 2625 1 1 11 PRO HG2 H 12.787 1.706 0.753 1.00 . A A . 11 PRO HG2 1 1 10 2626 1 1 11 PRO HG3 H 13.868 3.037 1.203 1.00 . A A . 11 PRO HG3 1 1 10 2627 1 1 11 PRO N N 10.819 3.733 0.414 1.00 . A A . 11 PRO N 1 1 10 2628 1 1 11 PRO O O 10.777 1.201 -1.077 1.00 . A A . 11 PRO O 1 1 10 2629 1 1 12 LEU C C 10.355 1.273 -4.942 1.00 . A A . 12 LEU C 1 1 10 2630 1 1 12 LEU CA C 9.652 1.444 -3.598 1.00 . A A . 12 LEU CA 1 1 10 2631 1 1 12 LEU CB C 8.165 1.726 -3.819 1.00 . A A . 12 LEU CB 1 1 10 2632 1 1 12 LEU CD1 C 7.032 -0.397 -3.120 1.00 . A A . 12 LEU CD1 1 1 10 2633 1 1 12 LEU CD2 C 6.019 1.025 -4.910 1.00 . A A . 12 LEU CD2 1 1 10 2634 1 1 12 LEU CG C 7.318 0.541 -4.282 1.00 . A A . 12 LEU CG 1 1 10 2635 1 1 12 LEU H H 10.290 3.423 -3.205 1.00 . A A . 12 LEU H 1 1 10 2636 1 1 12 LEU HA H 9.756 0.530 -3.032 1.00 . A A . 12 LEU HA 1 1 10 2637 1 1 12 LEU HB2 H 7.754 2.082 -2.888 1.00 . A A . 12 LEU HB2 1 1 10 2638 1 1 12 LEU HB3 H 8.085 2.503 -4.567 1.00 . A A . 12 LEU HB3 1 1 10 2639 1 1 12 LEU HD11 H 7.615 -0.096 -2.263 1.00 . A A . 12 LEU HD11 1 1 10 2640 1 1 12 LEU HD12 H 7.296 -1.407 -3.398 1.00 . A A . 12 LEU HD12 1 1 10 2641 1 1 12 LEU HD13 H 5.982 -0.355 -2.873 1.00 . A A . 12 LEU HD13 1 1 10 2642 1 1 12 LEU HD21 H 5.656 0.282 -5.605 1.00 . A A . 12 LEU HD21 1 1 10 2643 1 1 12 LEU HD22 H 6.198 1.952 -5.436 1.00 . A A . 12 LEU HD22 1 1 10 2644 1 1 12 LEU HD23 H 5.284 1.187 -4.137 1.00 . A A . 12 LEU HD23 1 1 10 2645 1 1 12 LEU HG H 7.866 -0.015 -5.031 1.00 . A A . 12 LEU HG 1 1 10 2646 1 1 12 LEU N N 10.261 2.520 -2.825 1.00 . A A . 12 LEU N 1 1 10 2647 1 1 12 LEU O O 11.557 1.009 -4.996 1.00 . A A . 12 LEU O 1 1 10 2648 1 1 13 PHE C C 10.615 2.640 -7.902 1.00 . A A . 13 PHE C 1 1 10 2649 1 1 13 PHE CA C 10.148 1.290 -7.366 1.00 . A A . 13 PHE CA 1 1 10 2650 1 1 13 PHE CB C 9.104 0.689 -8.310 1.00 . A A . 13 PHE CB 1 1 10 2651 1 1 13 PHE CD1 C 7.742 -1.127 -7.239 1.00 . A A . 13 PHE CD1 1 1 10 2652 1 1 13 PHE CD2 C 9.612 -1.753 -8.579 1.00 . A A . 13 PHE CD2 1 1 10 2653 1 1 13 PHE CE1 C 7.472 -2.459 -6.987 1.00 . A A . 13 PHE CE1 1 1 10 2654 1 1 13 PHE CE2 C 9.347 -3.087 -8.331 1.00 . A A . 13 PHE CE2 1 1 10 2655 1 1 13 PHE CG C 8.813 -0.760 -8.038 1.00 . A A . 13 PHE CG 1 1 10 2656 1 1 13 PHE CZ C 8.276 -3.440 -7.533 1.00 . A A . 13 PHE CZ 1 1 10 2657 1 1 13 PHE H H 8.646 1.635 -5.914 1.00 . A A . 13 PHE H 1 1 10 2658 1 1 13 PHE HA H 10.996 0.625 -7.311 1.00 . A A . 13 PHE HA 1 1 10 2659 1 1 13 PHE HB2 H 8.179 1.236 -8.208 1.00 . A A . 13 PHE HB2 1 1 10 2660 1 1 13 PHE HB3 H 9.456 0.772 -9.326 1.00 . A A . 13 PHE HB3 1 1 10 2661 1 1 13 PHE HD1 H 7.112 -0.360 -6.812 1.00 . A A . 13 PHE HD1 1 1 10 2662 1 1 13 PHE HD2 H 10.450 -1.479 -9.203 1.00 . A A . 13 PHE HD2 1 1 10 2663 1 1 13 PHE HE1 H 6.633 -2.732 -6.363 1.00 . A A . 13 PHE HE1 1 1 10 2664 1 1 13 PHE HE2 H 9.977 -3.852 -8.758 1.00 . A A . 13 PHE HE2 1 1 10 2665 1 1 13 PHE HZ H 8.066 -4.481 -7.338 1.00 . A A . 13 PHE HZ 1 1 10 2666 1 1 13 PHE N N 9.598 1.426 -6.023 1.00 . A A . 13 PHE N 1 1 10 2667 1 1 13 PHE O O 11.584 3.215 -7.406 1.00 . A A . 13 PHE O 1 1 10 2668 1 1 14 GLY C C 9.107 5.377 -9.568 1.00 . A A . 14 GLY C 1 1 10 2669 1 1 14 GLY CA C 10.279 4.418 -9.505 1.00 . A A . 14 GLY CA 1 1 10 2670 1 1 14 GLY H H 9.156 2.638 -9.273 1.00 . A A . 14 GLY H 1 1 10 2671 1 1 14 GLY HA2 H 11.065 4.865 -8.915 1.00 . A A . 14 GLY HA2 1 1 10 2672 1 1 14 GLY HA3 H 10.645 4.250 -10.507 1.00 . A A . 14 GLY HA3 1 1 10 2673 1 1 14 GLY N N 9.920 3.141 -8.918 1.00 . A A . 14 GLY N 1 1 10 2674 1 1 14 GLY O O 9.130 6.351 -10.321 1.00 . A A . 14 GLY O 1 1 10 2675 1 1 15 LYS C C 6.724 6.603 -7.376 1.00 . A A . 15 LYS C 1 1 10 2676 1 1 15 LYS CA C 6.888 5.946 -8.744 1.00 . A A . 15 LYS CA 1 1 10 2677 1 1 15 LYS CB C 5.642 5.123 -9.077 1.00 . A A . 15 LYS CB 1 1 10 2678 1 1 15 LYS CD C 5.999 2.863 -8.040 1.00 . A A . 15 LYS CD 1 1 10 2679 1 1 15 LYS CE C 4.644 2.804 -7.354 1.00 . A A . 15 LYS CE 1 1 10 2680 1 1 15 LYS CG C 5.934 3.655 -9.335 1.00 . A A . 15 LYS CG 1 1 10 2681 1 1 15 LYS H H 8.116 4.310 -8.198 1.00 . A A . 15 LYS H 1 1 10 2682 1 1 15 LYS HA H 7.009 6.718 -9.488 1.00 . A A . 15 LYS HA 1 1 10 2683 1 1 15 LYS HB2 H 4.948 5.191 -8.252 1.00 . A A . 15 LYS HB2 1 1 10 2684 1 1 15 LYS HB3 H 5.178 5.537 -9.961 1.00 . A A . 15 LYS HB3 1 1 10 2685 1 1 15 LYS HD2 H 6.324 1.856 -8.259 1.00 . A A . 15 LYS HD2 1 1 10 2686 1 1 15 LYS HD3 H 6.710 3.335 -7.376 1.00 . A A . 15 LYS HD3 1 1 10 2687 1 1 15 LYS HE2 H 4.761 3.114 -6.327 1.00 . A A . 15 LYS HE2 1 1 10 2688 1 1 15 LYS HE3 H 3.970 3.480 -7.859 1.00 . A A . 15 LYS HE3 1 1 10 2689 1 1 15 LYS HG2 H 5.152 3.245 -9.955 1.00 . A A . 15 LYS HG2 1 1 10 2690 1 1 15 LYS HG3 H 6.883 3.571 -9.847 1.00 . A A . 15 LYS HG3 1 1 10 2691 1 1 15 LYS HZ1 H 4.805 0.738 -7.616 1.00 . A A . 15 LYS HZ1 1 1 10 2692 1 1 15 LYS HZ2 H 3.314 1.377 -8.100 1.00 . A A . 15 LYS HZ2 1 1 10 2693 1 1 15 LYS HZ3 H 3.662 1.194 -6.455 1.00 . A A . 15 LYS HZ3 1 1 10 2694 1 1 15 LYS N N 8.075 5.102 -8.776 1.00 . A A . 15 LYS N 1 1 10 2695 1 1 15 LYS NZ N 4.066 1.432 -7.383 1.00 . A A . 15 LYS NZ 1 1 10 2696 1 1 15 LYS O O 7.086 7.763 -7.188 1.00 . A A . 15 LYS O 1 1 10 2697 1 1 16 GLY C C 6.662 5.538 -4.026 1.00 . A A . 16 GLY C 1 1 10 2698 1 1 16 GLY CA C 5.979 6.378 -5.087 1.00 . A A . 16 GLY CA 1 1 10 2699 1 1 16 GLY H H 5.909 4.932 -6.633 1.00 . A A . 16 GLY H 1 1 10 2700 1 1 16 GLY HA2 H 6.372 7.382 -5.045 1.00 . A A . 16 GLY HA2 1 1 10 2701 1 1 16 GLY HA3 H 4.919 6.407 -4.879 1.00 . A A . 16 GLY HA3 1 1 10 2702 1 1 16 GLY N N 6.178 5.852 -6.425 1.00 . A A . 16 GLY N 1 1 10 2703 1 1 16 GLY O O 7.888 5.452 -3.986 1.00 . A A . 16 GLY O 1 1 10 2704 1 1 17 GLY C C 6.034 4.580 -0.723 1.00 . A A . 17 GLY C 1 1 10 2705 1 1 17 GLY CA C 6.417 4.089 -2.106 1.00 . A A . 17 GLY CA 1 1 10 2706 1 1 17 GLY H H 4.893 5.021 -3.242 1.00 . A A . 17 GLY H 1 1 10 2707 1 1 17 GLY HA2 H 6.058 3.078 -2.230 1.00 . A A . 17 GLY HA2 1 1 10 2708 1 1 17 GLY HA3 H 7.494 4.091 -2.189 1.00 . A A . 17 GLY HA3 1 1 10 2709 1 1 17 GLY N N 5.864 4.916 -3.162 1.00 . A A . 17 GLY N 1 1 10 2710 1 1 17 GLY O O 6.380 5.696 -0.336 1.00 . A A . 17 GLY O 1 1 11 2711 1 1 1 PTL C1 C 3.042 -2.681 -0.164 1.00 . A A . 1 PTL C1 1 1 11 2712 1 1 1 PTL C2 C 2.050 -1.862 0.657 1.00 . A A . 1 PTL C2 1 1 11 2713 1 1 1 PTL C3 C 2.589 -0.446 0.867 1.00 . A A . 1 PTL C3 1 1 11 2714 1 1 1 PTL C4 C 1.654 0.448 1.665 1.00 . A A . 1 PTL C4 1 1 11 2715 1 1 1 PTL C5 C 2.266 1.777 1.994 1.00 . A A . 1 PTL C5 1 1 11 2716 1 1 1 PTL H21 H 1.854 -2.339 1.617 1.00 . A A . 1 PTL H21 1 1 11 2717 1 1 1 PTL H22 H 1.115 -1.806 0.119 1.00 . A A . 1 PTL H22 1 1 11 2718 1 1 1 PTL H31 H 3.531 -0.507 1.393 1.00 . A A . 1 PTL H31 1 1 11 2719 1 1 1 PTL H32 H 2.753 0.011 -0.098 1.00 . A A . 1 PTL H32 1 1 11 2720 1 1 1 PTL H41 H 0.757 0.615 1.088 1.00 . A A . 1 PTL H41 1 1 11 2721 1 1 1 PTL H42 H 1.399 -0.053 2.587 1.00 . A A . 1 PTL H42 1 1 11 2722 1 1 1 PTL H51 H 3.169 1.625 2.586 1.00 . A A . 1 PTL H51 1 1 11 2723 1 1 1 PTL H52 H 1.554 2.374 2.565 1.00 . A A . 1 PTL H52 1 1 11 2724 1 1 1 PTL H53 H 2.521 2.299 1.072 1.00 . A A . 1 PTL H53 1 1 11 2725 1 1 1 PTL O1 O 3.669 -3.609 0.347 1.00 . A A . 1 PTL O1 1 1 11 2726 1 1 2 VAL C C 5.535 -2.922 -1.835 1.00 . A A . 2 VAL C 1 1 11 2727 1 1 2 VAL CA C 4.096 -3.031 -2.329 1.00 . A A . 2 VAL CA 1 1 11 2728 1 1 2 VAL CB C 4.015 -2.480 -3.765 1.00 . A A . 2 VAL CB 1 1 11 2729 1 1 2 VAL CG1 C 5.060 -3.140 -4.651 1.00 . A A . 2 VAL CG1 1 1 11 2730 1 1 2 VAL CG2 C 2.619 -2.681 -4.334 1.00 . A A . 2 VAL CG2 1 1 11 2731 1 1 2 VAL H H 2.652 -1.581 -1.788 1.00 . A A . 2 VAL H 1 1 11 2732 1 1 2 VAL HA H 3.810 -4.073 -2.350 1.00 . A A . 2 VAL HA 1 1 11 2733 1 1 2 VAL HB H 4.219 -1.420 -3.734 1.00 . A A . 2 VAL HB 1 1 11 2734 1 1 2 VAL HG11 H 5.983 -2.580 -4.595 1.00 . A A . 2 VAL HG11 1 1 11 2735 1 1 2 VAL HG12 H 5.232 -4.152 -4.315 1.00 . A A . 2 VAL HG12 1 1 11 2736 1 1 2 VAL HG13 H 4.711 -3.153 -5.672 1.00 . A A . 2 VAL HG13 1 1 11 2737 1 1 2 VAL HG21 H 2.303 -1.781 -4.841 1.00 . A A . 2 VAL HG21 1 1 11 2738 1 1 2 VAL HG22 H 2.631 -3.503 -5.034 1.00 . A A . 2 VAL HG22 1 1 11 2739 1 1 2 VAL HG23 H 1.930 -2.902 -3.532 1.00 . A A . 2 VAL HG23 1 1 11 2740 1 1 2 VAL N N 3.180 -2.330 -1.439 1.00 . A A . 2 VAL N 1 1 11 2741 1 1 2 VAL O O 6.392 -3.720 -2.210 1.00 . A A . 2 VAL O 1 1 11 2742 1 1 3 ALA C C 7.568 -2.908 0.398 1.00 . A A . 3 ALA C 1 1 11 2743 1 1 3 ALA CA C 7.124 -1.715 -0.443 1.00 . A A . 3 ALA CA 1 1 11 2744 1 1 3 ALA CB C 7.157 -0.441 0.386 1.00 . A A . 3 ALA CB 1 1 11 2745 1 1 3 ALA H H 5.064 -1.324 -0.730 1.00 . A A . 3 ALA H 1 1 11 2746 1 1 3 ALA HA H 7.809 -1.596 -1.270 1.00 . A A . 3 ALA HA 1 1 11 2747 1 1 3 ALA HB1 H 6.698 0.363 -0.170 1.00 . A A . 3 ALA HB1 1 1 11 2748 1 1 3 ALA HB2 H 6.613 -0.597 1.306 1.00 . A A . 3 ALA HB2 1 1 11 2749 1 1 3 ALA HB3 H 8.182 -0.185 0.612 1.00 . A A . 3 ALA HB3 1 1 11 2750 1 1 3 ALA N N 5.790 -1.928 -0.991 1.00 . A A . 3 ALA N 1 1 11 2751 1 1 3 ALA O O 8.629 -3.486 0.161 1.00 . A A . 3 ALA O 1 1 11 2752 1 1 4 ARG C C 7.303 -5.664 1.450 1.00 . A A . 4 ARG C 1 1 11 2753 1 1 4 ARG CA C 7.060 -4.392 2.259 1.00 . A A . 4 ARG CA 1 1 11 2754 1 1 4 ARG CB C 5.923 -4.618 3.254 1.00 . A A . 4 ARG CB 1 1 11 2755 1 1 4 ARG CD C 7.536 -5.686 4.858 1.00 . A A . 4 ARG CD 1 1 11 2756 1 1 4 ARG CG C 6.166 -5.780 4.205 1.00 . A A . 4 ARG CG 1 1 11 2757 1 1 4 ARG CZ C 7.370 -7.213 6.777 1.00 . A A . 4 ARG CZ 1 1 11 2758 1 1 4 ARG H H 5.920 -2.770 1.521 1.00 . A A . 4 ARG H 1 1 11 2759 1 1 4 ARG HA H 7.961 -4.149 2.803 1.00 . A A . 4 ARG HA 1 1 11 2760 1 1 4 ARG HB2 H 5.791 -3.721 3.843 1.00 . A A . 4 ARG HB2 1 1 11 2761 1 1 4 ARG HB3 H 5.014 -4.814 2.706 1.00 . A A . 4 ARG HB3 1 1 11 2762 1 1 4 ARG HD2 H 8.198 -6.392 4.378 1.00 . A A . 4 ARG HD2 1 1 11 2763 1 1 4 ARG HD3 H 7.918 -4.685 4.723 1.00 . A A . 4 ARG HD3 1 1 11 2764 1 1 4 ARG HE H 7.533 -5.230 6.910 1.00 . A A . 4 ARG HE 1 1 11 2765 1 1 4 ARG HG2 H 5.410 -5.766 4.977 1.00 . A A . 4 ARG HG2 1 1 11 2766 1 1 4 ARG HG3 H 6.102 -6.704 3.651 1.00 . A A . 4 ARG HG3 1 1 11 2767 1 1 4 ARG HH11 H 7.333 -8.113 4.969 1.00 . A A . 4 ARG HH11 1 1 11 2768 1 1 4 ARG HH12 H 7.216 -9.178 6.331 1.00 . A A . 4 ARG HH12 1 1 11 2769 1 1 4 ARG HH21 H 7.242 -8.329 8.458 1.00 . A A . 4 ARG HH21 1 1 11 2770 1 1 4 ARG HH22 H 7.380 -6.622 8.710 1.00 . A A . 4 ARG HH22 1 1 11 2771 1 1 4 ARG N N 6.750 -3.270 1.381 1.00 . A A . 4 ARG N 1 1 11 2772 1 1 4 ARG NE N 7.483 -5.984 6.287 1.00 . A A . 4 ARG NE 1 1 11 2773 1 1 4 ARG NH1 N 7.300 -8.254 5.959 1.00 . A A . 4 ARG NH1 1 1 11 2774 1 1 4 ARG NH2 N 7.328 -7.404 8.090 1.00 . A A . 4 ARG NH2 1 1 11 2775 1 1 4 ARG O O 7.967 -6.589 1.914 1.00 . A A . 4 ARG O 1 1 11 2776 1 1 5 GLY C C 7.906 -6.616 -1.746 1.00 . A A . 5 GLY C 1 1 11 2777 1 1 5 GLY CA C 6.926 -6.863 -0.616 1.00 . A A . 5 GLY CA 1 1 11 2778 1 1 5 GLY H H 6.239 -4.932 -0.080 1.00 . A A . 5 GLY H 1 1 11 2779 1 1 5 GLY HA2 H 7.284 -7.687 -0.017 1.00 . A A . 5 GLY HA2 1 1 11 2780 1 1 5 GLY HA3 H 5.967 -7.126 -1.038 1.00 . A A . 5 GLY HA3 1 1 11 2781 1 1 5 GLY N N 6.759 -5.700 0.237 1.00 . A A . 5 GLY N 1 1 11 2782 1 1 5 GLY O O 8.144 -7.496 -2.573 1.00 . A A . 5 GLY O 1 1 11 2783 1 1 6 TRP C C 10.780 -4.684 -2.213 1.00 . A A . 6 TRP C 1 1 11 2784 1 1 6 TRP CA C 9.432 -5.055 -2.821 1.00 . A A . 6 TRP CA 1 1 11 2785 1 1 6 TRP CB C 8.898 -3.890 -3.656 1.00 . A A . 6 TRP CB 1 1 11 2786 1 1 6 TRP CD1 C 10.073 -1.986 -4.905 1.00 . A A . 6 TRP CD1 1 1 11 2787 1 1 6 TRP CD2 C 10.929 -4.016 -5.304 1.00 . A A . 6 TRP CD2 1 1 11 2788 1 1 6 TRP CE2 C 11.660 -3.067 -6.046 1.00 . A A . 6 TRP CE2 1 1 11 2789 1 1 6 TRP CE3 C 11.290 -5.364 -5.397 1.00 . A A . 6 TRP CE3 1 1 11 2790 1 1 6 TRP CG C 9.920 -3.304 -4.582 1.00 . A A . 6 TRP CG 1 1 11 2791 1 1 6 TRP CH2 C 13.056 -4.750 -6.939 1.00 . A A . 6 TRP CH2 1 1 11 2792 1 1 6 TRP CZ2 C 12.725 -3.423 -6.868 1.00 . A A . 6 TRP CZ2 1 1 11 2793 1 1 6 TRP CZ3 C 12.348 -5.717 -6.213 1.00 . A A . 6 TRP CZ3 1 1 11 2794 1 1 6 TRP H H 8.244 -4.757 -1.095 1.00 . A A . 6 TRP H 1 1 11 2795 1 1 6 TRP HA H 9.565 -5.915 -3.462 1.00 . A A . 6 TRP HA 1 1 11 2796 1 1 6 TRP HB2 H 8.067 -4.235 -4.252 1.00 . A A . 6 TRP HB2 1 1 11 2797 1 1 6 TRP HB3 H 8.560 -3.107 -2.992 1.00 . A A . 6 TRP HB3 1 1 11 2798 1 1 6 TRP HD1 H 9.456 -1.190 -4.519 1.00 . A A . 6 TRP HD1 1 1 11 2799 1 1 6 TRP HE1 H 11.424 -0.986 -6.165 1.00 . A A . 6 TRP HE1 1 1 11 2800 1 1 6 TRP HE3 H 10.755 -6.123 -4.845 1.00 . A A . 6 TRP HE3 1 1 11 2801 1 1 6 TRP HH2 H 13.875 -5.071 -7.564 1.00 . A A . 6 TRP HH2 1 1 11 2802 1 1 6 TRP HZ2 H 13.282 -2.691 -7.433 1.00 . A A . 6 TRP HZ2 1 1 11 2803 1 1 6 TRP HZ3 H 12.640 -6.753 -6.297 1.00 . A A . 6 TRP HZ3 1 1 11 2804 1 1 6 TRP N N 8.474 -5.416 -1.782 1.00 . A A . 6 TRP N 1 1 11 2805 1 1 6 TRP NE1 N 11.117 -1.836 -5.786 1.00 . A A . 6 TRP NE1 1 1 11 2806 1 1 6 TRP O O 11.730 -5.467 -2.256 1.00 . A A . 6 TRP O 1 1 11 2807 1 1 7 LYS C C 11.901 -2.803 0.473 1.00 . A A . 7 LYS C 1 1 11 2808 1 1 7 LYS CA C 12.091 -3.010 -1.026 1.00 . A A . 7 LYS CA 1 1 11 2809 1 1 7 LYS CB C 12.543 -1.701 -1.679 1.00 . A A . 7 LYS CB 1 1 11 2810 1 1 7 LYS CD C 14.252 -2.913 -3.066 1.00 . A A . 7 LYS CD 1 1 11 2811 1 1 7 LYS CE C 15.025 -2.898 -4.375 1.00 . A A . 7 LYS CE 1 1 11 2812 1 1 7 LYS CG C 13.132 -1.887 -3.068 1.00 . A A . 7 LYS CG 1 1 11 2813 1 1 7 LYS H H 10.068 -2.906 -1.643 1.00 . A A . 7 LYS H 1 1 11 2814 1 1 7 LYS HA H 12.851 -3.761 -1.182 1.00 . A A . 7 LYS HA 1 1 11 2815 1 1 7 LYS HB2 H 11.692 -1.040 -1.758 1.00 . A A . 7 LYS HB2 1 1 11 2816 1 1 7 LYS HB3 H 13.291 -1.240 -1.052 1.00 . A A . 7 LYS HB3 1 1 11 2817 1 1 7 LYS HD2 H 14.932 -2.690 -2.257 1.00 . A A . 7 LYS HD2 1 1 11 2818 1 1 7 LYS HD3 H 13.827 -3.896 -2.919 1.00 . A A . 7 LYS HD3 1 1 11 2819 1 1 7 LYS HE2 H 14.416 -2.428 -5.132 1.00 . A A . 7 LYS HE2 1 1 11 2820 1 1 7 LYS HE3 H 15.931 -2.326 -4.236 1.00 . A A . 7 LYS HE3 1 1 11 2821 1 1 7 LYS HG2 H 12.354 -2.220 -3.738 1.00 . A A . 7 LYS HG2 1 1 11 2822 1 1 7 LYS HG3 H 13.524 -0.939 -3.411 1.00 . A A . 7 LYS HG3 1 1 11 2823 1 1 7 LYS HZ1 H 16.349 -4.507 -4.518 1.00 . A A . 7 LYS HZ1 1 1 11 2824 1 1 7 LYS HZ2 H 15.335 -4.331 -5.861 1.00 . A A . 7 LYS HZ2 1 1 11 2825 1 1 7 LYS HZ3 H 14.722 -4.964 -4.418 1.00 . A A . 7 LYS HZ3 1 1 11 2826 1 1 7 LYS N N 10.859 -3.485 -1.645 1.00 . A A . 7 LYS N 1 1 11 2827 1 1 7 LYS NZ N 15.383 -4.271 -4.824 1.00 . A A . 7 LYS NZ 1 1 11 2828 1 1 7 LYS O O 12.102 -3.723 1.266 1.00 . A A . 7 LYS O 1 1 11 2829 1 1 8 ARG C C 9.864 -0.795 2.492 1.00 . A A . 8 ARG C 1 1 11 2830 1 1 8 ARG CA C 11.298 -1.264 2.258 1.00 . A A . 8 ARG CA 1 1 11 2831 1 1 8 ARG CB C 12.279 -0.182 2.709 1.00 . A A . 8 ARG CB 1 1 11 2832 1 1 8 ARG CD C 14.440 -0.320 1.431 1.00 . A A . 8 ARG CD 1 1 11 2833 1 1 8 ARG CG C 13.727 -0.645 2.735 1.00 . A A . 8 ARG CG 1 1 11 2834 1 1 8 ARG CZ C 16.002 1.362 0.551 1.00 . A A . 8 ARG CZ 1 1 11 2835 1 1 8 ARG H H 11.370 -0.899 0.175 1.00 . A A . 8 ARG H 1 1 11 2836 1 1 8 ARG HA H 11.470 -2.159 2.837 1.00 . A A . 8 ARG HA 1 1 11 2837 1 1 8 ARG HB2 H 12.206 0.659 2.035 1.00 . A A . 8 ARG HB2 1 1 11 2838 1 1 8 ARG HB3 H 12.010 0.141 3.703 1.00 . A A . 8 ARG HB3 1 1 11 2839 1 1 8 ARG HD2 H 15.024 -1.177 1.133 1.00 . A A . 8 ARG HD2 1 1 11 2840 1 1 8 ARG HD3 H 13.698 -0.109 0.675 1.00 . A A . 8 ARG HD3 1 1 11 2841 1 1 8 ARG HE H 15.415 1.236 2.453 1.00 . A A . 8 ARG HE 1 1 11 2842 1 1 8 ARG HG2 H 14.239 -0.149 3.546 1.00 . A A . 8 ARG HG2 1 1 11 2843 1 1 8 ARG HG3 H 13.750 -1.713 2.891 1.00 . A A . 8 ARG HG3 1 1 11 2844 1 1 8 ARG HH11 H 15.306 0.048 -0.817 1.00 . A A . 8 ARG HH11 1 1 11 2845 1 1 8 ARG HH12 H 16.409 1.239 -1.425 1.00 . A A . 8 ARG HH12 1 1 11 2846 1 1 8 ARG HH21 H 17.297 2.809 -0.011 1.00 . A A . 8 ARG HH21 1 1 11 2847 1 1 8 ARG HH22 H 16.868 2.809 1.666 1.00 . A A . 8 ARG HH22 1 1 11 2848 1 1 8 ARG N N 11.514 -1.591 0.854 1.00 . A A . 8 ARG N 1 1 11 2849 1 1 8 ARG NE N 15.324 0.835 1.565 1.00 . A A . 8 ARG NE 1 1 11 2850 1 1 8 ARG NH1 N 15.898 0.840 -0.663 1.00 . A A . 8 ARG NH1 1 1 11 2851 1 1 8 ARG NH2 N 16.787 2.413 0.752 1.00 . A A . 8 ARG NH2 1 1 11 2852 1 1 8 ARG O O 8.918 -1.576 2.385 1.00 . A A . 8 ARG O 1 1 11 2853 1 1 9 LYS C C 8.150 2.269 2.168 1.00 . A A . 9 LYS C 1 1 11 2854 1 1 9 LYS CA C 8.394 1.060 3.063 1.00 . A A . 9 LYS CA 1 1 11 2855 1 1 9 LYS CB C 8.262 1.465 4.533 1.00 . A A . 9 LYS CB 1 1 11 2856 1 1 9 LYS CD C 9.437 2.777 6.324 1.00 . A A . 9 LYS CD 1 1 11 2857 1 1 9 LYS CE C 8.714 2.181 7.522 1.00 . A A . 9 LYS CE 1 1 11 2858 1 1 9 LYS CG C 9.592 1.761 5.204 1.00 . A A . 9 LYS CG 1 1 11 2859 1 1 9 LYS H H 10.504 1.058 2.884 1.00 . A A . 9 LYS H 1 1 11 2860 1 1 9 LYS HA H 7.656 0.306 2.839 1.00 . A A . 9 LYS HA 1 1 11 2861 1 1 9 LYS HB2 H 7.646 2.349 4.596 1.00 . A A . 9 LYS HB2 1 1 11 2862 1 1 9 LYS HB3 H 7.781 0.662 5.074 1.00 . A A . 9 LYS HB3 1 1 11 2863 1 1 9 LYS HD2 H 10.417 3.106 6.637 1.00 . A A . 9 LYS HD2 1 1 11 2864 1 1 9 LYS HD3 H 8.873 3.622 5.957 1.00 . A A . 9 LYS HD3 1 1 11 2865 1 1 9 LYS HE2 H 8.662 1.110 7.397 1.00 . A A . 9 LYS HE2 1 1 11 2866 1 1 9 LYS HE3 H 9.274 2.413 8.416 1.00 . A A . 9 LYS HE3 1 1 11 2867 1 1 9 LYS HG2 H 9.989 0.845 5.616 1.00 . A A . 9 LYS HG2 1 1 11 2868 1 1 9 LYS HG3 H 10.278 2.153 4.467 1.00 . A A . 9 LYS HG3 1 1 11 2869 1 1 9 LYS HZ1 H 6.683 2.205 7.032 1.00 . A A . 9 LYS HZ1 1 1 11 2870 1 1 9 LYS HZ2 H 7.317 3.729 7.406 1.00 . A A . 9 LYS HZ2 1 1 11 2871 1 1 9 LYS HZ3 H 7.005 2.616 8.641 1.00 . A A . 9 LYS HZ3 1 1 11 2872 1 1 9 LYS N N 9.711 0.485 2.814 1.00 . A A . 9 LYS N 1 1 11 2873 1 1 9 LYS NZ N 7.333 2.720 7.659 1.00 . A A . 9 LYS NZ 1 1 11 2874 1 1 9 LYS O O 7.231 2.271 1.347 1.00 . A A . 9 LYS O 1 1 11 2875 1 1 10 CYS C C 9.303 4.271 0.096 1.00 . A A . 10 CYS C 1 1 11 2876 1 1 10 CYS CA C 8.853 4.511 1.533 1.00 . A A . 10 CYS CA 1 1 11 2877 1 1 10 CYS CB C 9.676 5.641 2.155 1.00 . A A . 10 CYS CB 1 1 11 2878 1 1 10 CYS H H 9.692 3.234 2.998 1.00 . A A . 10 CYS H 1 1 11 2879 1 1 10 CYS HA H 7.812 4.797 1.527 1.00 . A A . 10 CYS HA 1 1 11 2880 1 1 10 CYS HB2 H 10.401 5.216 2.834 1.00 . A A . 10 CYS HB2 1 1 11 2881 1 1 10 CYS HB3 H 10.195 6.172 1.371 1.00 . A A . 10 CYS HB3 1 1 11 2882 1 1 10 CYS HG H 7.418 6.629 2.809 1.00 . A A . 10 CYS HG 1 1 11 2883 1 1 10 CYS N N 8.979 3.296 2.329 1.00 . A A . 10 CYS N 1 1 11 2884 1 1 10 CYS O O 8.535 4.418 -0.854 1.00 . A A . 10 CYS O 1 1 11 2885 1 1 10 CYS SG S 8.696 6.843 3.084 1.00 . A A . 10 CYS SG 1 1 11 2886 1 1 11 PRO C C 10.602 2.355 -2.021 1.00 . A A . 11 PRO C 1 1 11 2887 1 1 11 PRO CA C 11.162 3.623 -1.387 1.00 . A A . 11 PRO CA 1 1 11 2888 1 1 11 PRO CB C 12.654 3.459 -1.089 1.00 . A A . 11 PRO CB 1 1 11 2889 1 1 11 PRO CD C 11.553 3.697 1.019 1.00 . A A . 11 PRO CD 1 1 11 2890 1 1 11 PRO CG C 12.710 3.023 0.335 1.00 . A A . 11 PRO CG 1 1 11 2891 1 1 11 PRO HA H 11.018 4.455 -2.061 1.00 . A A . 11 PRO HA 1 1 11 2892 1 1 11 PRO HB2 H 13.075 2.711 -1.748 1.00 . A A . 11 PRO HB2 1 1 11 2893 1 1 11 PRO HB3 H 13.160 4.400 -1.233 1.00 . A A . 11 PRO HB3 1 1 11 2894 1 1 11 PRO HD2 H 11.146 3.059 1.789 1.00 . A A . 11 PRO HD2 1 1 11 2895 1 1 11 PRO HD3 H 11.860 4.644 1.435 1.00 . A A . 11 PRO HD3 1 1 11 2896 1 1 11 PRO HG2 H 12.608 1.950 0.396 1.00 . A A . 11 PRO HG2 1 1 11 2897 1 1 11 PRO HG3 H 13.642 3.340 0.779 1.00 . A A . 11 PRO HG3 1 1 11 2898 1 1 11 PRO N N 10.579 3.892 -0.069 1.00 . A A . 11 PRO N 1 1 11 2899 1 1 11 PRO O O 10.587 1.293 -1.399 1.00 . A A . 11 PRO O 1 1 11 2900 1 1 12 LEU C C 10.344 1.079 -5.277 1.00 . A A . 12 LEU C 1 1 11 2901 1 1 12 LEU CA C 9.580 1.335 -3.981 1.00 . A A . 12 LEU CA 1 1 11 2902 1 1 12 LEU CB C 8.101 1.578 -4.287 1.00 . A A . 12 LEU CB 1 1 11 2903 1 1 12 LEU CD1 C 6.891 -0.420 -3.377 1.00 . A A . 12 LEU CD1 1 1 11 2904 1 1 12 LEU CD2 C 6.034 0.732 -5.425 1.00 . A A . 12 LEU CD2 1 1 11 2905 1 1 12 LEU CG C 7.275 0.340 -4.637 1.00 . A A . 12 LEU CG 1 1 11 2906 1 1 12 LEU H H 10.180 3.345 -3.706 1.00 . A A . 12 LEU H 1 1 11 2907 1 1 12 LEU HA H 9.669 0.465 -3.346 1.00 . A A . 12 LEU HA 1 1 11 2908 1 1 12 LEU HB2 H 7.656 2.038 -3.417 1.00 . A A . 12 LEU HB2 1 1 11 2909 1 1 12 LEU HB3 H 8.045 2.262 -5.122 1.00 . A A . 12 LEU HB3 1 1 11 2910 1 1 12 LEU HD11 H 5.823 -0.360 -3.231 1.00 . A A . 12 LEU HD11 1 1 11 2911 1 1 12 LEU HD12 H 7.395 0.015 -2.526 1.00 . A A . 12 LEU HD12 1 1 11 2912 1 1 12 LEU HD13 H 7.184 -1.455 -3.477 1.00 . A A . 12 LEU HD13 1 1 11 2913 1 1 12 LEU HD21 H 5.232 0.967 -4.740 1.00 . A A . 12 LEU HD21 1 1 11 2914 1 1 12 LEU HD22 H 5.737 -0.089 -6.060 1.00 . A A . 12 LEU HD22 1 1 11 2915 1 1 12 LEU HD23 H 6.253 1.597 -6.034 1.00 . A A . 12 LEU HD23 1 1 11 2916 1 1 12 LEU HG H 7.870 -0.318 -5.255 1.00 . A A . 12 LEU HG 1 1 11 2917 1 1 12 LEU N N 10.141 2.473 -3.261 1.00 . A A . 12 LEU N 1 1 11 2918 1 1 12 LEU O O 11.556 0.867 -5.263 1.00 . A A . 12 LEU O 1 1 11 2919 1 1 13 PHE C C 10.683 2.189 -8.328 1.00 . A A . 13 PHE C 1 1 11 2920 1 1 13 PHE CA C 10.235 0.873 -7.699 1.00 . A A . 13 PHE CA 1 1 11 2921 1 1 13 PHE CB C 9.250 0.161 -8.628 1.00 . A A . 13 PHE CB 1 1 11 2922 1 1 13 PHE CD1 C 7.944 -1.615 -7.429 1.00 . A A . 13 PHE CD1 1 1 11 2923 1 1 13 PHE CD2 C 9.831 -2.279 -8.729 1.00 . A A . 13 PHE CD2 1 1 11 2924 1 1 13 PHE CE1 C 7.715 -2.934 -7.084 1.00 . A A . 13 PHE CE1 1 1 11 2925 1 1 13 PHE CE2 C 9.605 -3.598 -8.388 1.00 . A A . 13 PHE CE2 1 1 11 2926 1 1 13 PHE CG C 9.003 -1.273 -8.255 1.00 . A A . 13 PHE CG 1 1 11 2927 1 1 13 PHE CZ C 8.547 -3.927 -7.563 1.00 . A A . 13 PHE CZ 1 1 11 2928 1 1 13 PHE H H 8.662 1.275 -6.340 1.00 . A A . 13 PHE H 1 1 11 2929 1 1 13 PHE HA H 11.100 0.244 -7.555 1.00 . A A . 13 PHE HA 1 1 11 2930 1 1 13 PHE HB2 H 8.303 0.677 -8.601 1.00 . A A . 13 PHE HB2 1 1 11 2931 1 1 13 PHE HB3 H 9.638 0.181 -9.636 1.00 . A A . 13 PHE HB3 1 1 11 2932 1 1 13 PHE HD1 H 7.293 -0.839 -7.054 1.00 . A A . 13 PHE HD1 1 1 11 2933 1 1 13 PHE HD2 H 10.660 -2.024 -9.373 1.00 . A A . 13 PHE HD2 1 1 11 2934 1 1 13 PHE HE1 H 6.886 -3.187 -6.440 1.00 . A A . 13 PHE HE1 1 1 11 2935 1 1 13 PHE HE2 H 10.258 -4.373 -8.763 1.00 . A A . 13 PHE HE2 1 1 11 2936 1 1 13 PHE HZ H 8.369 -4.958 -7.295 1.00 . A A . 13 PHE HZ 1 1 11 2937 1 1 13 PHE N N 9.625 1.101 -6.395 1.00 . A A . 13 PHE N 1 1 11 2938 1 1 13 PHE O O 11.828 2.610 -8.164 1.00 . A A . 13 PHE O 1 1 11 2939 1 1 14 GLY C C 9.167 5.217 -9.261 1.00 . A A . 14 GLY C 1 1 11 2940 1 1 14 GLY CA C 10.092 4.096 -9.692 1.00 . A A . 14 GLY CA 1 1 11 2941 1 1 14 GLY H H 8.874 2.452 -9.144 1.00 . A A . 14 GLY H 1 1 11 2942 1 1 14 GLY HA2 H 11.107 4.366 -9.444 1.00 . A A . 14 GLY HA2 1 1 11 2943 1 1 14 GLY HA3 H 10.013 3.971 -10.762 1.00 . A A . 14 GLY HA3 1 1 11 2944 1 1 14 GLY N N 9.772 2.835 -9.048 1.00 . A A . 14 GLY N 1 1 11 2945 1 1 14 GLY O O 9.257 6.336 -9.767 1.00 . A A . 14 GLY O 1 1 11 2946 1 1 15 LYS C C 7.635 6.277 -6.381 1.00 . A A . 15 LYS C 1 1 11 2947 1 1 15 LYS CA C 7.324 5.908 -7.828 1.00 . A A . 15 LYS CA 1 1 11 2948 1 1 15 LYS CB C 5.894 5.374 -7.935 1.00 . A A . 15 LYS CB 1 1 11 2949 1 1 15 LYS CD C 6.016 2.911 -8.407 1.00 . A A . 15 LYS CD 1 1 11 2950 1 1 15 LYS CE C 4.736 2.357 -9.015 1.00 . A A . 15 LYS CE 1 1 11 2951 1 1 15 LYS CG C 5.722 3.977 -7.365 1.00 . A A . 15 LYS CG 1 1 11 2952 1 1 15 LYS H H 8.247 4.008 -7.962 1.00 . A A . 15 LYS H 1 1 11 2953 1 1 15 LYS HA H 7.416 6.792 -8.440 1.00 . A A . 15 LYS HA 1 1 11 2954 1 1 15 LYS HB2 H 5.233 6.042 -7.401 1.00 . A A . 15 LYS HB2 1 1 11 2955 1 1 15 LYS HB3 H 5.606 5.355 -8.976 1.00 . A A . 15 LYS HB3 1 1 11 2956 1 1 15 LYS HD2 H 6.616 3.343 -9.194 1.00 . A A . 15 LYS HD2 1 1 11 2957 1 1 15 LYS HD3 H 6.561 2.103 -7.939 1.00 . A A . 15 LYS HD3 1 1 11 2958 1 1 15 LYS HE2 H 3.985 2.292 -8.242 1.00 . A A . 15 LYS HE2 1 1 11 2959 1 1 15 LYS HE3 H 4.399 3.032 -9.788 1.00 . A A . 15 LYS HE3 1 1 11 2960 1 1 15 LYS HG2 H 6.401 3.850 -6.535 1.00 . A A . 15 LYS HG2 1 1 11 2961 1 1 15 LYS HG3 H 4.704 3.861 -7.021 1.00 . A A . 15 LYS HG3 1 1 11 2962 1 1 15 LYS HZ1 H 5.162 0.318 -8.858 1.00 . A A . 15 LYS HZ1 1 1 11 2963 1 1 15 LYS HZ2 H 5.729 1.030 -10.285 1.00 . A A . 15 LYS HZ2 1 1 11 2964 1 1 15 LYS HZ3 H 4.080 0.699 -10.101 1.00 . A A . 15 LYS HZ3 1 1 11 2965 1 1 15 LYS N N 8.271 4.918 -8.327 1.00 . A A . 15 LYS N 1 1 11 2966 1 1 15 LYS NZ N 4.941 1.007 -9.606 1.00 . A A . 15 LYS NZ 1 1 11 2967 1 1 15 LYS O O 8.731 6.740 -6.070 1.00 . A A . 15 LYS O 1 1 11 2968 1 1 16 GLY C C 6.871 5.144 -3.222 1.00 . A A . 16 GLY C 1 1 11 2969 1 1 16 GLY CA C 6.851 6.382 -4.096 1.00 . A A . 16 GLY CA 1 1 11 2970 1 1 16 GLY H H 5.807 5.695 -5.805 1.00 . A A . 16 GLY H 1 1 11 2971 1 1 16 GLY HA2 H 7.787 6.908 -3.979 1.00 . A A . 16 GLY HA2 1 1 11 2972 1 1 16 GLY HA3 H 6.045 7.025 -3.770 1.00 . A A . 16 GLY HA3 1 1 11 2973 1 1 16 GLY N N 6.661 6.067 -5.499 1.00 . A A . 16 GLY N 1 1 11 2974 1 1 16 GLY O O 7.791 4.331 -3.305 1.00 . A A . 16 GLY O 1 1 11 2975 1 1 17 GLY C C 4.382 3.267 -1.421 1.00 . A A . 17 GLY C 1 1 11 2976 1 1 17 GLY CA C 5.779 3.851 -1.494 1.00 . A A . 17 GLY CA 1 1 11 2977 1 1 17 GLY H H 5.148 5.681 -2.354 1.00 . A A . 17 GLY H 1 1 11 2978 1 1 17 GLY HA2 H 6.457 3.091 -1.852 1.00 . A A . 17 GLY HA2 1 1 11 2979 1 1 17 GLY HA3 H 6.082 4.152 -0.503 1.00 . A A . 17 GLY HA3 1 1 11 2980 1 1 17 GLY N N 5.854 5.001 -2.377 1.00 . A A . 17 GLY N 1 1 11 2981 1 1 17 GLY O O 3.408 3.992 -1.224 1.00 . A A . 17 GLY O 1 1 12 2982 1 1 1 PTL C1 C 2.913 -2.562 0.033 1.00 . A A . 1 PTL C1 1 1 12 2983 1 1 1 PTL C2 C 2.005 -1.693 0.898 1.00 . A A . 1 PTL C2 1 1 12 2984 1 1 1 PTL C3 C 2.547 -0.264 0.952 1.00 . A A . 1 PTL C3 1 1 12 2985 1 1 1 PTL C4 C 3.946 -0.166 1.538 1.00 . A A . 1 PTL C4 1 1 12 2986 1 1 1 PTL C5 C 4.018 0.772 2.707 1.00 . A A . 1 PTL C5 1 1 12 2987 1 1 1 PTL H21 H 1.919 -2.104 1.904 1.00 . A A . 1 PTL H21 1 1 12 2988 1 1 1 PTL H22 H 1.018 -1.678 0.462 1.00 . A A . 1 PTL H22 1 1 12 2989 1 1 1 PTL H31 H 2.571 0.137 -0.050 1.00 . A A . 1 PTL H31 1 1 12 2990 1 1 1 PTL H32 H 1.885 0.337 1.556 1.00 . A A . 1 PTL H32 1 1 12 2991 1 1 1 PTL H41 H 4.256 -1.148 1.864 1.00 . A A . 1 PTL H41 1 1 12 2992 1 1 1 PTL H42 H 4.619 0.184 0.770 1.00 . A A . 1 PTL H42 1 1 12 2993 1 1 1 PTL H51 H 3.717 1.771 2.391 1.00 . A A . 1 PTL H51 1 1 12 2994 1 1 1 PTL H52 H 5.039 0.803 3.086 1.00 . A A . 1 PTL H52 1 1 12 2995 1 1 1 PTL H53 H 3.349 0.424 3.494 1.00 . A A . 1 PTL H53 1 1 12 2996 1 1 1 PTL O1 O 3.352 -3.632 0.456 1.00 . A A . 1 PTL O1 1 1 12 2997 1 1 2 VAL C C 5.491 -2.845 -1.621 1.00 . A A . 2 VAL C 1 1 12 2998 1 1 2 VAL CA C 4.045 -2.830 -2.105 1.00 . A A . 2 VAL CA 1 1 12 2999 1 1 2 VAL CB C 3.996 -2.221 -3.519 1.00 . A A . 2 VAL CB 1 1 12 3000 1 1 2 VAL CG1 C 4.991 -2.917 -4.435 1.00 . A A . 2 VAL CG1 1 1 12 3001 1 1 2 VAL CG2 C 2.587 -2.307 -4.086 1.00 . A A . 2 VAL CG2 1 1 12 3002 1 1 2 VAL H H 2.810 -1.237 -1.461 1.00 . A A . 2 VAL H 1 1 12 3003 1 1 2 VAL HA H 3.684 -3.846 -2.160 1.00 . A A . 2 VAL HA 1 1 12 3004 1 1 2 VAL HB H 4.272 -1.179 -3.450 1.00 . A A . 2 VAL HB 1 1 12 3005 1 1 2 VAL HG11 H 4.605 -2.927 -5.445 1.00 . A A . 2 VAL HG11 1 1 12 3006 1 1 2 VAL HG12 H 5.933 -2.388 -4.413 1.00 . A A . 2 VAL HG12 1 1 12 3007 1 1 2 VAL HG13 H 5.141 -3.932 -4.099 1.00 . A A . 2 VAL HG13 1 1 12 3008 1 1 2 VAL HG21 H 2.602 -2.868 -5.008 1.00 . A A . 2 VAL HG21 1 1 12 3009 1 1 2 VAL HG22 H 1.942 -2.800 -3.374 1.00 . A A . 2 VAL HG22 1 1 12 3010 1 1 2 VAL HG23 H 2.215 -1.310 -4.278 1.00 . A A . 2 VAL HG23 1 1 12 3011 1 1 2 VAL N N 3.189 -2.095 -1.181 1.00 . A A . 2 VAL N 1 1 12 3012 1 1 2 VAL O O 6.278 -3.707 -2.011 1.00 . A A . 2 VAL O 1 1 12 3013 1 1 3 ALA C C 7.535 -3.026 0.595 1.00 . A A . 3 ALA C 1 1 12 3014 1 1 3 ALA CA C 7.184 -1.790 -0.227 1.00 . A A . 3 ALA CA 1 1 12 3015 1 1 3 ALA CB C 7.327 -0.534 0.618 1.00 . A A . 3 ALA CB 1 1 12 3016 1 1 3 ALA H H 5.162 -1.227 -0.493 1.00 . A A . 3 ALA H 1 1 12 3017 1 1 3 ALA HA H 7.872 -1.716 -1.058 1.00 . A A . 3 ALA HA 1 1 12 3018 1 1 3 ALA HB1 H 6.799 -0.665 1.551 1.00 . A A . 3 ALA HB1 1 1 12 3019 1 1 3 ALA HB2 H 8.373 -0.352 0.818 1.00 . A A . 3 ALA HB2 1 1 12 3020 1 1 3 ALA HB3 H 6.911 0.309 0.085 1.00 . A A . 3 ALA HB3 1 1 12 3021 1 1 3 ALA N N 5.834 -1.886 -0.767 1.00 . A A . 3 ALA N 1 1 12 3022 1 1 3 ALA O O 8.640 -3.559 0.490 1.00 . A A . 3 ALA O 1 1 12 3023 1 1 4 ARG C C 7.038 -5.890 1.404 1.00 . A A . 4 ARG C 1 1 12 3024 1 1 4 ARG CA C 6.800 -4.646 2.255 1.00 . A A . 4 ARG CA 1 1 12 3025 1 1 4 ARG CB C 5.595 -4.866 3.171 1.00 . A A . 4 ARG CB 1 1 12 3026 1 1 4 ARG CD C 4.115 -3.086 4.150 1.00 . A A . 4 ARG CD 1 1 12 3027 1 1 4 ARG CG C 5.450 -3.807 4.251 1.00 . A A . 4 ARG CG 1 1 12 3028 1 1 4 ARG CZ C 3.140 -3.645 6.337 1.00 . A A . 4 ARG CZ 1 1 12 3029 1 1 4 ARG H H 5.729 -3.007 1.452 1.00 . A A . 4 ARG H 1 1 12 3030 1 1 4 ARG HA H 7.674 -4.466 2.862 1.00 . A A . 4 ARG HA 1 1 12 3031 1 1 4 ARG HB2 H 4.696 -4.863 2.571 1.00 . A A . 4 ARG HB2 1 1 12 3032 1 1 4 ARG HB3 H 5.693 -5.827 3.651 1.00 . A A . 4 ARG HB3 1 1 12 3033 1 1 4 ARG HD2 H 4.253 -2.180 3.581 1.00 . A A . 4 ARG HD2 1 1 12 3034 1 1 4 ARG HD3 H 3.412 -3.728 3.639 1.00 . A A . 4 ARG HD3 1 1 12 3035 1 1 4 ARG HE H 3.539 -1.795 5.706 1.00 . A A . 4 ARG HE 1 1 12 3036 1 1 4 ARG HG2 H 5.518 -4.281 5.219 1.00 . A A . 4 ARG HG2 1 1 12 3037 1 1 4 ARG HG3 H 6.248 -3.086 4.145 1.00 . A A . 4 ARG HG3 1 1 12 3038 1 1 4 ARG HH11 H 3.536 -5.232 5.152 1.00 . A A . 4 ARG HH11 1 1 12 3039 1 1 4 ARG HH12 H 2.848 -5.612 6.696 1.00 . A A . 4 ARG HH12 1 1 12 3040 1 1 4 ARG HH21 H 2.334 -3.933 8.168 1.00 . A A . 4 ARG HH21 1 1 12 3041 1 1 4 ARG HH22 H 2.634 -2.282 7.742 1.00 . A A . 4 ARG HH22 1 1 12 3042 1 1 4 ARG N N 6.589 -3.474 1.413 1.00 . A A . 4 ARG N 1 1 12 3043 1 1 4 ARG NE N 3.576 -2.744 5.463 1.00 . A A . 4 ARG NE 1 1 12 3044 1 1 4 ARG NH1 N 3.177 -4.935 6.037 1.00 . A A . 4 ARG NH1 1 1 12 3045 1 1 4 ARG NH2 N 2.664 -3.255 7.512 1.00 . A A . 4 ARG NH2 1 1 12 3046 1 1 4 ARG O O 7.523 -6.909 1.898 1.00 . A A . 4 ARG O 1 1 12 3047 1 1 5 GLY C C 7.837 -6.613 -1.907 1.00 . A A . 5 GLY C 1 1 12 3048 1 1 5 GLY CA C 6.878 -6.926 -0.775 1.00 . A A . 5 GLY CA 1 1 12 3049 1 1 5 GLY H H 6.312 -4.965 -0.215 1.00 . A A . 5 GLY H 1 1 12 3050 1 1 5 GLY HA2 H 7.263 -7.763 -0.212 1.00 . A A . 5 GLY HA2 1 1 12 3051 1 1 5 GLY HA3 H 5.920 -7.197 -1.194 1.00 . A A . 5 GLY HA3 1 1 12 3052 1 1 5 GLY N N 6.694 -5.801 0.122 1.00 . A A . 5 GLY N 1 1 12 3053 1 1 5 GLY O O 8.048 -7.439 -2.795 1.00 . A A . 5 GLY O 1 1 12 3054 1 1 6 TRP C C 10.722 -4.685 -2.308 1.00 . A A . 6 TRP C 1 1 12 3055 1 1 6 TRP CA C 9.357 -4.999 -2.910 1.00 . A A . 6 TRP CA 1 1 12 3056 1 1 6 TRP CB C 8.818 -3.773 -3.651 1.00 . A A . 6 TRP CB 1 1 12 3057 1 1 6 TRP CD1 C 9.996 -1.807 -4.795 1.00 . A A . 6 TRP CD1 1 1 12 3058 1 1 6 TRP CD2 C 10.799 -3.818 -5.365 1.00 . A A . 6 TRP CD2 1 1 12 3059 1 1 6 TRP CE2 C 11.526 -2.830 -6.058 1.00 . A A . 6 TRP CE2 1 1 12 3060 1 1 6 TRP CE3 C 11.129 -5.161 -5.564 1.00 . A A . 6 TRP CE3 1 1 12 3061 1 1 6 TRP CG C 9.826 -3.141 -4.563 1.00 . A A . 6 TRP CG 1 1 12 3062 1 1 6 TRP CH2 C 12.862 -4.470 -7.110 1.00 . A A . 6 TRP CH2 1 1 12 3063 1 1 6 TRP CZ2 C 12.560 -3.147 -6.934 1.00 . A A . 6 TRP CZ2 1 1 12 3064 1 1 6 TRP CZ3 C 12.155 -5.473 -6.434 1.00 . A A . 6 TRP CZ3 1 1 12 3065 1 1 6 TRP H H 8.207 -4.804 -1.142 1.00 . A A . 6 TRP H 1 1 12 3066 1 1 6 TRP HA H 9.463 -5.814 -3.610 1.00 . A A . 6 TRP HA 1 1 12 3067 1 1 6 TRP HB2 H 7.967 -4.066 -4.246 1.00 . A A . 6 TRP HB2 1 1 12 3068 1 1 6 TRP HB3 H 8.510 -3.032 -2.928 1.00 . A A . 6 TRP HB3 1 1 12 3069 1 1 6 TRP HD1 H 9.406 -1.029 -4.334 1.00 . A A . 6 TRP HD1 1 1 12 3070 1 1 6 TRP HE1 H 11.330 -0.743 -6.020 1.00 . A A . 6 TRP HE1 1 1 12 3071 1 1 6 TRP HE3 H 10.596 -5.948 -5.052 1.00 . A A . 6 TRP HE3 1 1 12 3072 1 1 6 TRP HH2 H 13.656 -4.760 -7.781 1.00 . A A . 6 TRP HH2 1 1 12 3073 1 1 6 TRP HZ2 H 13.115 -2.385 -7.462 1.00 . A A . 6 TRP HZ2 1 1 12 3074 1 1 6 TRP HZ3 H 12.423 -6.506 -6.602 1.00 . A A . 6 TRP HZ3 1 1 12 3075 1 1 6 TRP N N 8.416 -5.419 -1.876 1.00 . A A . 6 TRP N 1 1 12 3076 1 1 6 TRP NE1 N 11.017 -1.613 -5.694 1.00 . A A . 6 TRP NE1 1 1 12 3077 1 1 6 TRP O O 11.661 -5.472 -2.428 1.00 . A A . 6 TRP O 1 1 12 3078 1 1 7 LYS C C 11.923 -3.011 0.478 1.00 . A A . 7 LYS C 1 1 12 3079 1 1 7 LYS CA C 12.077 -3.113 -1.037 1.00 . A A . 7 LYS CA 1 1 12 3080 1 1 7 LYS CB C 12.529 -1.766 -1.606 1.00 . A A . 7 LYS CB 1 1 12 3081 1 1 7 LYS CD C 14.190 -2.890 -3.119 1.00 . A A . 7 LYS CD 1 1 12 3082 1 1 7 LYS CE C 14.923 -2.793 -4.449 1.00 . A A . 7 LYS CE 1 1 12 3083 1 1 7 LYS CG C 13.079 -1.857 -3.019 1.00 . A A . 7 LYS CG 1 1 12 3084 1 1 7 LYS H H 10.043 -2.945 -1.596 1.00 . A A . 7 LYS H 1 1 12 3085 1 1 7 LYS HA H 12.825 -3.858 -1.261 1.00 . A A . 7 LYS HA 1 1 12 3086 1 1 7 LYS HB2 H 11.686 -1.091 -1.614 1.00 . A A . 7 LYS HB2 1 1 12 3087 1 1 7 LYS HB3 H 13.300 -1.359 -0.967 1.00 . A A . 7 LYS HB3 1 1 12 3088 1 1 7 LYS HD2 H 14.896 -2.726 -2.319 1.00 . A A . 7 LYS HD2 1 1 12 3089 1 1 7 LYS HD3 H 13.760 -3.877 -3.025 1.00 . A A . 7 LYS HD3 1 1 12 3090 1 1 7 LYS HE2 H 14.869 -3.750 -4.944 1.00 . A A . 7 LYS HE2 1 1 12 3091 1 1 7 LYS HE3 H 14.438 -2.045 -5.058 1.00 . A A . 7 LYS HE3 1 1 12 3092 1 1 7 LYS HG2 H 12.281 -2.136 -3.689 1.00 . A A . 7 LYS HG2 1 1 12 3093 1 1 7 LYS HG3 H 13.472 -0.892 -3.305 1.00 . A A . 7 LYS HG3 1 1 12 3094 1 1 7 LYS HZ1 H 16.765 -2.130 -5.177 1.00 . A A . 7 LYS HZ1 1 1 12 3095 1 1 7 LYS HZ2 H 16.889 -3.231 -3.899 1.00 . A A . 7 LYS HZ2 1 1 12 3096 1 1 7 LYS HZ3 H 16.434 -1.631 -3.594 1.00 . A A . 7 LYS HZ3 1 1 12 3097 1 1 7 LYS N N 10.826 -3.530 -1.659 1.00 . A A . 7 LYS N 1 1 12 3098 1 1 7 LYS NZ N 16.353 -2.420 -4.267 1.00 . A A . 7 LYS NZ 1 1 12 3099 1 1 7 LYS O O 12.103 -3.993 1.196 1.00 . A A . 7 LYS O 1 1 12 3100 1 1 8 ARG C C 10.006 -1.071 2.681 1.00 . A A . 8 ARG C 1 1 12 3101 1 1 8 ARG CA C 11.412 -1.587 2.383 1.00 . A A . 8 ARG CA 1 1 12 3102 1 1 8 ARG CB C 12.452 -0.588 2.894 1.00 . A A . 8 ARG CB 1 1 12 3103 1 1 8 ARG CD C 13.994 -2.365 3.777 1.00 . A A . 8 ARG CD 1 1 12 3104 1 1 8 ARG CG C 13.871 -1.133 2.894 1.00 . A A . 8 ARG CG 1 1 12 3105 1 1 8 ARG CZ C 13.327 -3.070 6.036 1.00 . A A . 8 ARG CZ 1 1 12 3106 1 1 8 ARG H H 11.460 -1.070 0.332 1.00 . A A . 8 ARG H 1 1 12 3107 1 1 8 ARG HA H 11.551 -2.529 2.891 1.00 . A A . 8 ARG HA 1 1 12 3108 1 1 8 ARG HB2 H 12.428 0.292 2.268 1.00 . A A . 8 ARG HB2 1 1 12 3109 1 1 8 ARG HB3 H 12.198 -0.307 3.905 1.00 . A A . 8 ARG HB3 1 1 12 3110 1 1 8 ARG HD2 H 13.399 -3.158 3.349 1.00 . A A . 8 ARG HD2 1 1 12 3111 1 1 8 ARG HD3 H 15.029 -2.669 3.806 1.00 . A A . 8 ARG HD3 1 1 12 3112 1 1 8 ARG HE H 13.375 -1.180 5.399 1.00 . A A . 8 ARG HE 1 1 12 3113 1 1 8 ARG HG2 H 14.146 -1.398 1.884 1.00 . A A . 8 ARG HG2 1 1 12 3114 1 1 8 ARG HG3 H 14.540 -0.369 3.263 1.00 . A A . 8 ARG HG3 1 1 12 3115 1 1 8 ARG HH11 H 13.851 -4.576 4.796 1.00 . A A . 8 ARG HH11 1 1 12 3116 1 1 8 ARG HH12 H 13.380 -5.059 6.391 1.00 . A A . 8 ARG HH12 1 1 12 3117 1 1 8 ARG HH21 H 12.754 -3.480 7.930 1.00 . A A . 8 ARG HH21 1 1 12 3118 1 1 8 ARG HH22 H 12.752 -1.803 7.502 1.00 . A A . 8 ARG HH22 1 1 12 3119 1 1 8 ARG N N 11.590 -1.816 0.955 1.00 . A A . 8 ARG N 1 1 12 3120 1 1 8 ARG NE N 13.536 -2.112 5.140 1.00 . A A . 8 ARG NE 1 1 12 3121 1 1 8 ARG NH1 N 13.536 -4.338 5.714 1.00 . A A . 8 ARG NH1 1 1 12 3122 1 1 8 ARG NH2 N 12.910 -2.759 7.257 1.00 . A A . 8 ARG NH2 1 1 12 3123 1 1 8 ARG O O 9.027 -1.807 2.572 1.00 . A A . 8 ARG O 1 1 12 3124 1 1 9 LYS C C 8.413 2.072 2.531 1.00 . A A . 9 LYS C 1 1 12 3125 1 1 9 LYS CA C 8.632 0.817 3.369 1.00 . A A . 9 LYS CA 1 1 12 3126 1 1 9 LYS CB C 8.559 1.166 4.858 1.00 . A A . 9 LYS CB 1 1 12 3127 1 1 9 LYS CD C 10.486 0.072 6.040 1.00 . A A . 9 LYS CD 1 1 12 3128 1 1 9 LYS CE C 10.138 -0.122 7.508 1.00 . A A . 9 LYS CE 1 1 12 3129 1 1 9 LYS CG C 9.919 1.375 5.501 1.00 . A A . 9 LYS CG 1 1 12 3130 1 1 9 LYS H H 10.734 0.738 3.126 1.00 . A A . 9 LYS H 1 1 12 3131 1 1 9 LYS HA H 7.856 0.103 3.137 1.00 . A A . 9 LYS HA 1 1 12 3132 1 1 9 LYS HB2 H 7.987 2.074 4.974 1.00 . A A . 9 LYS HB2 1 1 12 3133 1 1 9 LYS HB3 H 8.057 0.364 5.379 1.00 . A A . 9 LYS HB3 1 1 12 3134 1 1 9 LYS HD2 H 10.078 -0.751 5.474 1.00 . A A . 9 LYS HD2 1 1 12 3135 1 1 9 LYS HD3 H 11.562 0.086 5.933 1.00 . A A . 9 LYS HD3 1 1 12 3136 1 1 9 LYS HE2 H 11.020 0.065 8.101 1.00 . A A . 9 LYS HE2 1 1 12 3137 1 1 9 LYS HE3 H 9.366 0.584 7.777 1.00 . A A . 9 LYS HE3 1 1 12 3138 1 1 9 LYS HG2 H 10.600 1.772 4.762 1.00 . A A . 9 LYS HG2 1 1 12 3139 1 1 9 LYS HG3 H 9.818 2.078 6.315 1.00 . A A . 9 LYS HG3 1 1 12 3140 1 1 9 LYS HZ1 H 8.788 -1.467 8.363 1.00 . A A . 9 LYS HZ1 1 1 12 3141 1 1 9 LYS HZ2 H 10.379 -2.041 8.298 1.00 . A A . 9 LYS HZ2 1 1 12 3142 1 1 9 LYS HZ3 H 9.439 -1.992 6.893 1.00 . A A . 9 LYS HZ3 1 1 12 3143 1 1 9 LYS N N 9.916 0.200 3.057 1.00 . A A . 9 LYS N 1 1 12 3144 1 1 9 LYS NZ N 9.652 -1.502 7.785 1.00 . A A . 9 LYS NZ 1 1 12 3145 1 1 9 LYS O O 7.516 2.117 1.687 1.00 . A A . 9 LYS O 1 1 12 3146 1 1 10 CYS C C 9.566 4.161 0.580 1.00 . A A . 10 CYS C 1 1 12 3147 1 1 10 CYS CA C 9.132 4.343 2.032 1.00 . A A . 10 CYS CA 1 1 12 3148 1 1 10 CYS CB C 9.986 5.421 2.700 1.00 . A A . 10 CYS CB 1 1 12 3149 1 1 10 CYS H H 9.931 2.991 3.451 1.00 . A A . 10 CYS H 1 1 12 3150 1 1 10 CYS HA H 8.098 4.651 2.049 1.00 . A A . 10 CYS HA 1 1 12 3151 1 1 10 CYS HB2 H 10.644 4.955 3.419 1.00 . A A . 10 CYS HB2 1 1 12 3152 1 1 10 CYS HB3 H 10.579 5.918 1.948 1.00 . A A . 10 CYS HB3 1 1 12 3153 1 1 10 CYS HG H 7.851 6.787 2.977 1.00 . A A . 10 CYS HG 1 1 12 3154 1 1 10 CYS N N 9.237 3.087 2.766 1.00 . A A . 10 CYS N 1 1 12 3155 1 1 10 CYS O O 8.796 4.379 -0.355 1.00 . A A . 10 CYS O 1 1 12 3156 1 1 10 CYS SG S 9.029 6.685 3.572 1.00 . A A . 10 CYS SG 1 1 12 3157 1 1 11 PRO C C 10.791 2.318 -1.640 1.00 . A A . 11 PRO C 1 1 12 3158 1 1 11 PRO CA C 11.394 3.534 -0.948 1.00 . A A . 11 PRO CA 1 1 12 3159 1 1 11 PRO CB C 12.882 3.310 -0.671 1.00 . A A . 11 PRO CB 1 1 12 3160 1 1 11 PRO CD C 11.802 3.475 1.456 1.00 . A A . 11 PRO CD 1 1 12 3161 1 1 11 PRO CG C 12.934 2.801 0.730 1.00 . A A . 11 PRO CG 1 1 12 3162 1 1 11 PRO HA H 11.271 4.404 -1.578 1.00 . A A . 11 PRO HA 1 1 12 3163 1 1 11 PRO HB2 H 13.275 2.584 -1.370 1.00 . A A . 11 PRO HB2 1 1 12 3164 1 1 11 PRO HB3 H 13.417 4.242 -0.772 1.00 . A A . 11 PRO HB3 1 1 12 3165 1 1 11 PRO HD2 H 11.382 2.810 2.196 1.00 . A A . 11 PRO HD2 1 1 12 3166 1 1 11 PRO HD3 H 12.141 4.390 1.916 1.00 . A A . 11 PRO HD3 1 1 12 3167 1 1 11 PRO HG2 H 12.800 1.730 0.737 1.00 . A A . 11 PRO HG2 1 1 12 3168 1 1 11 PRO HG3 H 13.879 3.066 1.180 1.00 . A A . 11 PRO HG3 1 1 12 3169 1 1 11 PRO N N 10.829 3.753 0.387 1.00 . A A . 11 PRO N 1 1 12 3170 1 1 11 PRO O O 10.799 1.213 -1.095 1.00 . A A . 11 PRO O 1 1 12 3171 1 1 12 LEU C C 10.363 1.270 -4.957 1.00 . A A . 12 LEU C 1 1 12 3172 1 1 12 LEU CA C 9.662 1.443 -3.612 1.00 . A A . 12 LEU CA 1 1 12 3173 1 1 12 LEU CB C 8.174 1.721 -3.832 1.00 . A A . 12 LEU CB 1 1 12 3174 1 1 12 LEU CD1 C 7.034 -0.389 -3.101 1.00 . A A . 12 LEU CD1 1 1 12 3175 1 1 12 LEU CD2 C 6.034 1.004 -4.922 1.00 . A A . 12 LEU CD2 1 1 12 3176 1 1 12 LEU CG C 7.328 0.528 -4.279 1.00 . A A . 12 LEU CG 1 1 12 3177 1 1 12 LEU H H 10.292 3.427 -3.227 1.00 . A A . 12 LEU H 1 1 12 3178 1 1 12 LEU HA H 9.770 0.533 -3.044 1.00 . A A . 12 LEU HA 1 1 12 3179 1 1 12 LEU HB2 H 7.765 2.086 -2.902 1.00 . A A . 12 LEU HB2 1 1 12 3180 1 1 12 LEU HB3 H 8.089 2.489 -4.588 1.00 . A A . 12 LEU HB3 1 1 12 3181 1 1 12 LEU HD11 H 7.609 -0.071 -2.246 1.00 . A A . 12 LEU HD11 1 1 12 3182 1 1 12 LEU HD12 H 7.304 -1.403 -3.359 1.00 . A A . 12 LEU HD12 1 1 12 3183 1 1 12 LEU HD13 H 5.981 -0.347 -2.866 1.00 . A A . 12 LEU HD13 1 1 12 3184 1 1 12 LEU HD21 H 5.292 1.172 -4.156 1.00 . A A . 12 LEU HD21 1 1 12 3185 1 1 12 LEU HD22 H 5.676 0.251 -5.611 1.00 . A A . 12 LEU HD22 1 1 12 3186 1 1 12 LEU HD23 H 6.215 1.924 -5.458 1.00 . A A . 12 LEU HD23 1 1 12 3187 1 1 12 LEU HG H 7.879 -0.041 -5.015 1.00 . A A . 12 LEU HG 1 1 12 3188 1 1 12 LEU N N 10.269 2.525 -2.844 1.00 . A A . 12 LEU N 1 1 12 3189 1 1 12 LEU O O 11.566 1.014 -5.012 1.00 . A A . 12 LEU O 1 1 12 3190 1 1 13 PHE C C 10.617 2.624 -7.921 1.00 . A A . 13 PHE C 1 1 12 3191 1 1 13 PHE CA C 10.150 1.274 -7.381 1.00 . A A . 13 PHE CA 1 1 12 3192 1 1 13 PHE CB C 9.105 0.670 -8.320 1.00 . A A . 13 PHE CB 1 1 12 3193 1 1 13 PHE CD1 C 7.771 -1.160 -7.239 1.00 . A A . 13 PHE CD1 1 1 12 3194 1 1 13 PHE CD2 C 9.620 -1.768 -8.617 1.00 . A A . 13 PHE CD2 1 1 12 3195 1 1 13 PHE CE1 C 7.512 -2.494 -6.991 1.00 . A A . 13 PHE CE1 1 1 12 3196 1 1 13 PHE CE2 C 9.365 -3.104 -8.373 1.00 . A A . 13 PHE CE2 1 1 12 3197 1 1 13 PHE CG C 8.826 -0.781 -8.054 1.00 . A A . 13 PHE CG 1 1 12 3198 1 1 13 PHE CZ C 8.310 -3.468 -7.558 1.00 . A A . 13 PHE CZ 1 1 12 3199 1 1 13 PHE H H 8.650 1.618 -5.927 1.00 . A A . 13 PHE H 1 1 12 3200 1 1 13 PHE HA H 10.999 0.610 -7.325 1.00 . A A . 13 PHE HA 1 1 12 3201 1 1 13 PHE HB2 H 8.177 1.212 -8.211 1.00 . A A . 13 PHE HB2 1 1 12 3202 1 1 13 PHE HB3 H 9.452 0.761 -9.339 1.00 . A A . 13 PHE HB3 1 1 12 3203 1 1 13 PHE HD1 H 7.145 -0.398 -6.795 1.00 . A A . 13 PHE HD1 1 1 12 3204 1 1 13 PHE HD2 H 10.446 -1.485 -9.252 1.00 . A A . 13 PHE HD2 1 1 12 3205 1 1 13 PHE HE1 H 6.686 -2.775 -6.354 1.00 . A A . 13 PHE HE1 1 1 12 3206 1 1 13 PHE HE2 H 9.991 -3.863 -8.816 1.00 . A A . 13 PHE HE2 1 1 12 3207 1 1 13 PHE HZ H 8.109 -4.511 -7.366 1.00 . A A . 13 PHE HZ 1 1 12 3208 1 1 13 PHE N N 9.603 1.414 -6.037 1.00 . A A . 13 PHE N 1 1 12 3209 1 1 13 PHE O O 11.590 3.196 -7.432 1.00 . A A . 13 PHE O 1 1 12 3210 1 1 14 GLY C C 9.100 5.359 -9.586 1.00 . A A . 14 GLY C 1 1 12 3211 1 1 14 GLY CA C 10.272 4.400 -9.524 1.00 . A A . 14 GLY CA 1 1 12 3212 1 1 14 GLY H H 9.149 2.622 -9.281 1.00 . A A . 14 GLY H 1 1 12 3213 1 1 14 GLY HA2 H 11.060 4.849 -8.937 1.00 . A A . 14 GLY HA2 1 1 12 3214 1 1 14 GLY HA3 H 10.637 4.230 -10.526 1.00 . A A . 14 GLY HA3 1 1 12 3215 1 1 14 GLY N N 9.916 3.124 -8.933 1.00 . A A . 14 GLY N 1 1 12 3216 1 1 14 GLY O O 9.091 6.291 -10.391 1.00 . A A . 14 GLY O 1 1 12 3217 1 1 15 LYS C C 6.755 6.619 -7.322 1.00 . A A . 15 LYS C 1 1 12 3218 1 1 15 LYS CA C 6.920 5.979 -8.697 1.00 . A A . 15 LYS CA 1 1 12 3219 1 1 15 LYS CB C 5.672 5.165 -9.046 1.00 . A A . 15 LYS CB 1 1 12 3220 1 1 15 LYS CD C 6.026 2.896 -8.028 1.00 . A A . 15 LYS CD 1 1 12 3221 1 1 15 LYS CE C 4.672 2.836 -7.338 1.00 . A A . 15 LYS CE 1 1 12 3222 1 1 15 LYS CG C 5.958 3.698 -9.317 1.00 . A A . 15 LYS CG 1 1 12 3223 1 1 15 LYS H H 8.169 4.371 -8.118 1.00 . A A . 15 LYS H 1 1 12 3224 1 1 15 LYS HA H 7.047 6.759 -9.431 1.00 . A A . 15 LYS HA 1 1 12 3225 1 1 15 LYS HB2 H 4.974 5.227 -8.223 1.00 . A A . 15 LYS HB2 1 1 12 3226 1 1 15 LYS HB3 H 5.215 5.590 -9.927 1.00 . A A . 15 LYS HB3 1 1 12 3227 1 1 15 LYS HD2 H 6.345 1.890 -8.257 1.00 . A A . 15 LYS HD2 1 1 12 3228 1 1 15 LYS HD3 H 6.740 3.359 -7.363 1.00 . A A . 15 LYS HD3 1 1 12 3229 1 1 15 LYS HE2 H 4.787 3.180 -6.320 1.00 . A A . 15 LYS HE2 1 1 12 3230 1 1 15 LYS HE3 H 3.987 3.485 -7.861 1.00 . A A . 15 LYS HE3 1 1 12 3231 1 1 15 LYS HG2 H 5.172 3.296 -9.938 1.00 . A A . 15 LYS HG2 1 1 12 3232 1 1 15 LYS HG3 H 6.904 3.616 -9.832 1.00 . A A . 15 LYS HG3 1 1 12 3233 1 1 15 LYS HZ1 H 3.845 1.188 -6.355 1.00 . A A . 15 LYS HZ1 1 1 12 3234 1 1 15 LYS HZ2 H 4.829 0.780 -7.669 1.00 . A A . 15 LYS HZ2 1 1 12 3235 1 1 15 LYS HZ3 H 3.278 1.399 -7.935 1.00 . A A . 15 LYS HZ3 1 1 12 3236 1 1 15 LYS N N 8.104 5.129 -8.736 1.00 . A A . 15 LYS N 1 1 12 3237 1 1 15 LYS NZ N 4.117 1.454 -7.323 1.00 . A A . 15 LYS NZ 1 1 12 3238 1 1 15 LYS O O 7.125 7.774 -7.116 1.00 . A A . 15 LYS O 1 1 12 3239 1 1 16 GLY C C 6.660 5.508 -3.986 1.00 . A A . 16 GLY C 1 1 12 3240 1 1 16 GLY CA C 5.994 6.370 -5.040 1.00 . A A . 16 GLY CA 1 1 12 3241 1 1 16 GLY H H 5.921 4.946 -6.605 1.00 . A A . 16 GLY H 1 1 12 3242 1 1 16 GLY HA2 H 6.399 7.369 -4.981 1.00 . A A . 16 GLY HA2 1 1 12 3243 1 1 16 GLY HA3 H 4.934 6.410 -4.839 1.00 . A A . 16 GLY HA3 1 1 12 3244 1 1 16 GLY N N 6.197 5.860 -6.383 1.00 . A A . 16 GLY N 1 1 12 3245 1 1 16 GLY O O 7.884 5.404 -3.941 1.00 . A A . 16 GLY O 1 1 12 3246 1 1 17 GLY C C 6.031 4.540 -0.697 1.00 . A A . 17 GLY C 1 1 12 3247 1 1 17 GLY CA C 6.386 4.040 -2.084 1.00 . A A . 17 GLY CA 1 1 12 3248 1 1 17 GLY H H 4.881 5.008 -3.215 1.00 . A A . 17 GLY H 1 1 12 3249 1 1 17 GLY HA2 H 5.993 3.042 -2.207 1.00 . A A . 17 GLY HA2 1 1 12 3250 1 1 17 GLY HA3 H 7.461 4.007 -2.177 1.00 . A A . 17 GLY HA3 1 1 12 3251 1 1 17 GLY N N 5.850 4.888 -3.132 1.00 . A A . 17 GLY N 1 1 12 3252 1 1 17 GLY O O 4.927 4.302 -0.208 1.00 . A A . 17 GLY O 1 1 13 3253 1 1 1 PTL C1 C 3.063 -1.935 -0.356 1.00 . A A . 1 PTL C1 1 1 13 3254 1 1 1 PTL C2 C 2.149 -0.862 0.229 1.00 . A A . 1 PTL C2 1 1 13 3255 1 1 1 PTL C3 C 1.516 -1.369 1.527 1.00 . A A . 1 PTL C3 1 1 13 3256 1 1 1 PTL C4 C 0.879 -0.270 2.362 1.00 . A A . 1 PTL C4 1 1 13 3257 1 1 1 PTL C5 C 1.758 0.181 3.491 1.00 . A A . 1 PTL C5 1 1 13 3258 1 1 1 PTL H21 H 1.353 -0.636 -0.481 1.00 . A A . 1 PTL H21 1 1 13 3259 1 1 1 PTL H22 H 2.736 0.017 0.445 1.00 . A A . 1 PTL H22 1 1 13 3260 1 1 1 PTL H31 H 0.754 -2.094 1.283 1.00 . A A . 1 PTL H31 1 1 13 3261 1 1 1 PTL H32 H 2.279 -1.847 2.124 1.00 . A A . 1 PTL H32 1 1 13 3262 1 1 1 PTL H41 H 0.675 0.576 1.724 1.00 . A A . 1 PTL H41 1 1 13 3263 1 1 1 PTL H42 H -0.048 -0.640 2.771 1.00 . A A . 1 PTL H42 1 1 13 3264 1 1 1 PTL H51 H 1.261 0.978 4.042 1.00 . A A . 1 PTL H51 1 1 13 3265 1 1 1 PTL H52 H 1.949 -0.658 4.159 1.00 . A A . 1 PTL H52 1 1 13 3266 1 1 1 PTL H53 H 2.703 0.550 3.092 1.00 . A A . 1 PTL H53 1 1 13 3267 1 1 1 PTL O1 O 3.658 -2.725 0.376 1.00 . A A . 1 PTL O1 1 1 13 3268 1 1 2 VAL C C 5.449 -2.869 -1.852 1.00 . A A . 2 VAL C 1 1 13 3269 1 1 2 VAL CA C 4.014 -2.928 -2.365 1.00 . A A . 2 VAL CA 1 1 13 3270 1 1 2 VAL CB C 4.016 -2.699 -3.887 1.00 . A A . 2 VAL CB 1 1 13 3271 1 1 2 VAL CG1 C 5.118 -3.512 -4.549 1.00 . A A . 2 VAL CG1 1 1 13 3272 1 1 2 VAL CG2 C 2.657 -3.045 -4.479 1.00 . A A . 2 VAL CG2 1 1 13 3273 1 1 2 VAL H H 2.673 -1.298 -2.212 1.00 . A A . 2 VAL H 1 1 13 3274 1 1 2 VAL HA H 3.613 -3.912 -2.170 1.00 . A A . 2 VAL HA 1 1 13 3275 1 1 2 VAL HB H 4.209 -1.653 -4.073 1.00 . A A . 2 VAL HB 1 1 13 3276 1 1 2 VAL HG11 H 5.276 -4.424 -3.992 1.00 . A A . 2 VAL HG11 1 1 13 3277 1 1 2 VAL HG12 H 4.829 -3.752 -5.563 1.00 . A A . 2 VAL HG12 1 1 13 3278 1 1 2 VAL HG13 H 6.031 -2.936 -4.562 1.00 . A A . 2 VAL HG13 1 1 13 3279 1 1 2 VAL HG21 H 1.915 -2.354 -4.107 1.00 . A A . 2 VAL HG21 1 1 13 3280 1 1 2 VAL HG22 H 2.706 -2.976 -5.556 1.00 . A A . 2 VAL HG22 1 1 13 3281 1 1 2 VAL HG23 H 2.386 -4.052 -4.195 1.00 . A A . 2 VAL HG23 1 1 13 3282 1 1 2 VAL N N 3.172 -1.954 -1.681 1.00 . A A . 2 VAL N 1 1 13 3283 1 1 2 VAL O O 6.204 -3.833 -1.977 1.00 . A A . 2 VAL O 1 1 13 3284 1 1 3 ALA C C 7.544 -2.693 0.193 1.00 . A A . 3 ALA C 1 1 13 3285 1 1 3 ALA CA C 7.161 -1.546 -0.738 1.00 . A A . 3 ALA CA 1 1 13 3286 1 1 3 ALA CB C 7.261 -0.216 -0.008 1.00 . A A . 3 ALA CB 1 1 13 3287 1 1 3 ALA H H 5.171 -0.999 -1.202 1.00 . A A . 3 ALA H 1 1 13 3288 1 1 3 ALA HA H 7.852 -1.525 -1.569 1.00 . A A . 3 ALA HA 1 1 13 3289 1 1 3 ALA HB1 H 7.995 -0.291 0.781 1.00 . A A . 3 ALA HB1 1 1 13 3290 1 1 3 ALA HB2 H 7.559 0.555 -0.704 1.00 . A A . 3 ALA HB2 1 1 13 3291 1 1 3 ALA HB3 H 6.300 0.035 0.417 1.00 . A A . 3 ALA HB3 1 1 13 3292 1 1 3 ALA N N 5.818 -1.731 -1.272 1.00 . A A . 3 ALA N 1 1 13 3293 1 1 3 ALA O O 8.593 -3.314 0.028 1.00 . A A . 3 ALA O 1 1 13 3294 1 1 4 ARG C C 7.173 -5.362 1.413 1.00 . A A . 4 ARG C 1 1 13 3295 1 1 4 ARG CA C 6.937 -4.035 2.129 1.00 . A A . 4 ARG CA 1 1 13 3296 1 1 4 ARG CB C 5.758 -4.169 3.096 1.00 . A A . 4 ARG CB 1 1 13 3297 1 1 4 ARG CD C 4.034 -2.602 4.037 1.00 . A A . 4 ARG CD 1 1 13 3298 1 1 4 ARG CG C 5.516 -2.925 3.936 1.00 . A A . 4 ARG CG 1 1 13 3299 1 1 4 ARG CZ C 2.385 -2.342 5.842 1.00 . A A . 4 ARG CZ 1 1 13 3300 1 1 4 ARG H H 5.867 -2.435 1.251 1.00 . A A . 4 ARG H 1 1 13 3301 1 1 4 ARG HA H 7.823 -3.779 2.690 1.00 . A A . 4 ARG HA 1 1 13 3302 1 1 4 ARG HB2 H 4.862 -4.372 2.527 1.00 . A A . 4 ARG HB2 1 1 13 3303 1 1 4 ARG HB3 H 5.947 -4.996 3.763 1.00 . A A . 4 ARG HB3 1 1 13 3304 1 1 4 ARG HD2 H 3.818 -1.759 3.397 1.00 . A A . 4 ARG HD2 1 1 13 3305 1 1 4 ARG HD3 H 3.468 -3.460 3.704 1.00 . A A . 4 ARG HD3 1 1 13 3306 1 1 4 ARG HE H 4.339 -1.985 6.023 1.00 . A A . 4 ARG HE 1 1 13 3307 1 1 4 ARG HG2 H 5.904 -3.092 4.929 1.00 . A A . 4 ARG HG2 1 1 13 3308 1 1 4 ARG HG3 H 6.028 -2.090 3.481 1.00 . A A . 4 ARG HG3 1 1 13 3309 1 1 4 ARG HH11 H 1.623 -2.968 4.079 1.00 . A A . 4 ARG HH11 1 1 13 3310 1 1 4 ARG HH12 H 0.472 -2.781 5.360 1.00 . A A . 4 ARG HH12 1 1 13 3311 1 1 4 ARG HH21 H 1.161 -2.079 7.429 1.00 . A A . 4 ARG HH21 1 1 13 3312 1 1 4 ARG HH22 H 2.833 -1.735 7.718 1.00 . A A . 4 ARG HH22 1 1 13 3313 1 1 4 ARG N N 6.686 -2.965 1.171 1.00 . A A . 4 ARG N 1 1 13 3314 1 1 4 ARG NE N 3.637 -2.272 5.403 1.00 . A A . 4 ARG NE 1 1 13 3315 1 1 4 ARG NH1 N 1.413 -2.728 5.026 1.00 . A A . 4 ARG NH1 1 1 13 3316 1 1 4 ARG NH2 N 2.103 -2.026 7.099 1.00 . A A . 4 ARG NH2 1 1 13 3317 1 1 4 ARG O O 7.790 -6.274 1.963 1.00 . A A . 4 ARG O 1 1 13 3318 1 1 5 GLY C C 7.850 -6.521 -1.713 1.00 . A A . 5 GLY C 1 1 13 3319 1 1 5 GLY CA C 6.847 -6.680 -0.587 1.00 . A A . 5 GLY CA 1 1 13 3320 1 1 5 GLY H H 6.196 -4.702 -0.204 1.00 . A A . 5 GLY H 1 1 13 3321 1 1 5 GLY HA2 H 7.183 -7.466 0.072 1.00 . A A . 5 GLY HA2 1 1 13 3322 1 1 5 GLY HA3 H 5.892 -6.960 -1.008 1.00 . A A . 5 GLY HA3 1 1 13 3323 1 1 5 GLY N N 6.679 -5.462 0.183 1.00 . A A . 5 GLY N 1 1 13 3324 1 1 5 GLY O O 8.085 -7.455 -2.480 1.00 . A A . 5 GLY O 1 1 13 3325 1 1 6 TRP C C 10.762 -4.660 -2.248 1.00 . A A . 6 TRP C 1 1 13 3326 1 1 6 TRP CA C 9.421 -5.056 -2.856 1.00 . A A . 6 TRP CA 1 1 13 3327 1 1 6 TRP CB C 8.916 -3.944 -3.777 1.00 . A A . 6 TRP CB 1 1 13 3328 1 1 6 TRP CD1 C 10.088 -2.144 -5.174 1.00 . A A . 6 TRP CD1 1 1 13 3329 1 1 6 TRP CD2 C 11.044 -4.166 -5.291 1.00 . A A . 6 TRP CD2 1 1 13 3330 1 1 6 TRP CE2 C 11.777 -3.275 -6.097 1.00 . A A . 6 TRP CE2 1 1 13 3331 1 1 6 TRP CE3 C 11.459 -5.497 -5.207 1.00 . A A . 6 TRP CE3 1 1 13 3332 1 1 6 TRP CG C 9.967 -3.423 -4.709 1.00 . A A . 6 TRP CG 1 1 13 3333 1 1 6 TRP CH2 C 13.286 -4.984 -6.714 1.00 . A A . 6 TRP CH2 1 1 13 3334 1 1 6 TRP CZ2 C 12.902 -3.674 -6.814 1.00 . A A . 6 TRP CZ2 1 1 13 3335 1 1 6 TRP CZ3 C 12.574 -5.893 -5.920 1.00 . A A . 6 TRP CZ3 1 1 13 3336 1 1 6 TRP H H 8.209 -4.630 -1.173 1.00 . A A . 6 TRP H 1 1 13 3337 1 1 6 TRP HA H 9.554 -5.958 -3.435 1.00 . A A . 6 TRP HA 1 1 13 3338 1 1 6 TRP HB2 H 8.099 -4.323 -4.374 1.00 . A A . 6 TRP HB2 1 1 13 3339 1 1 6 TRP HB3 H 8.564 -3.120 -3.174 1.00 . A A . 6 TRP HB3 1 1 13 3340 1 1 6 TRP HD1 H 9.419 -1.337 -4.915 1.00 . A A . 6 TRP HD1 1 1 13 3341 1 1 6 TRP HE1 H 11.470 -1.233 -6.467 1.00 . A A . 6 TRP HE1 1 1 13 3342 1 1 6 TRP HE3 H 10.924 -6.212 -4.601 1.00 . A A . 6 TRP HE3 1 1 13 3343 1 1 6 TRP HH2 H 14.152 -5.337 -7.254 1.00 . A A . 6 TRP HH2 1 1 13 3344 1 1 6 TRP HZ2 H 13.462 -2.986 -7.431 1.00 . A A . 6 TRP HZ2 1 1 13 3345 1 1 6 TRP HZ3 H 12.911 -6.919 -5.869 1.00 . A A . 6 TRP HZ3 1 1 13 3346 1 1 6 TRP N N 8.439 -5.335 -1.814 1.00 . A A . 6 TRP N 1 1 13 3347 1 1 6 TRP NE1 N 11.174 -2.048 -6.009 1.00 . A A . 6 TRP NE1 1 1 13 3348 1 1 6 TRP O O 11.695 -5.462 -2.201 1.00 . A A . 6 TRP O 1 1 13 3349 1 1 7 LYS C C 11.912 -2.748 0.330 1.00 . A A . 7 LYS C 1 1 13 3350 1 1 7 LYS CA C 12.080 -2.915 -1.177 1.00 . A A . 7 LYS CA 1 1 13 3351 1 1 7 LYS CB C 12.475 -1.579 -1.809 1.00 . A A . 7 LYS CB 1 1 13 3352 1 1 7 LYS CD C 14.238 -2.684 -3.217 1.00 . A A . 7 LYS CD 1 1 13 3353 1 1 7 LYS CE C 15.162 -2.423 -4.395 1.00 . A A . 7 LYS CE 1 1 13 3354 1 1 7 LYS CG C 13.066 -1.716 -3.202 1.00 . A A . 7 LYS CG 1 1 13 3355 1 1 7 LYS H H 10.074 -2.826 -1.850 1.00 . A A . 7 LYS H 1 1 13 3356 1 1 7 LYS HA H 12.861 -3.637 -1.362 1.00 . A A . 7 LYS HA 1 1 13 3357 1 1 7 LYS HB2 H 11.598 -0.952 -1.875 1.00 . A A . 7 LYS HB2 1 1 13 3358 1 1 7 LYS HB3 H 13.205 -1.097 -1.176 1.00 . A A . 7 LYS HB3 1 1 13 3359 1 1 7 LYS HD2 H 14.800 -2.569 -2.301 1.00 . A A . 7 LYS HD2 1 1 13 3360 1 1 7 LYS HD3 H 13.859 -3.694 -3.283 1.00 . A A . 7 LYS HD3 1 1 13 3361 1 1 7 LYS HE2 H 14.571 -2.385 -5.298 1.00 . A A . 7 LYS HE2 1 1 13 3362 1 1 7 LYS HE3 H 15.653 -1.473 -4.248 1.00 . A A . 7 LYS HE3 1 1 13 3363 1 1 7 LYS HG2 H 12.305 -2.081 -3.873 1.00 . A A . 7 LYS HG2 1 1 13 3364 1 1 7 LYS HG3 H 13.408 -0.746 -3.534 1.00 . A A . 7 LYS HG3 1 1 13 3365 1 1 7 LYS HZ1 H 16.698 -3.377 -5.441 1.00 . A A . 7 LYS HZ1 1 1 13 3366 1 1 7 LYS HZ2 H 15.748 -4.424 -4.512 1.00 . A A . 7 LYS HZ2 1 1 13 3367 1 1 7 LYS HZ3 H 16.883 -3.421 -3.760 1.00 . A A . 7 LYS HZ3 1 1 13 3368 1 1 7 LYS N N 10.852 -3.419 -1.784 1.00 . A A . 7 LYS N 1 1 13 3369 1 1 7 LYS NZ N 16.196 -3.486 -4.538 1.00 . A A . 7 LYS NZ 1 1 13 3370 1 1 7 LYS O O 12.176 -3.670 1.100 1.00 . A A . 7 LYS O 1 1 13 3371 1 1 8 ARG C C 9.816 -0.901 2.434 1.00 . A A . 8 ARG C 1 1 13 3372 1 1 8 ARG CA C 11.269 -1.275 2.158 1.00 . A A . 8 ARG CA 1 1 13 3373 1 1 8 ARG CB C 12.193 -0.141 2.607 1.00 . A A . 8 ARG CB 1 1 13 3374 1 1 8 ARG CD C 13.988 -1.637 3.530 1.00 . A A . 8 ARG CD 1 1 13 3375 1 1 8 ARG CG C 13.667 -0.505 2.567 1.00 . A A . 8 ARG CG 1 1 13 3376 1 1 8 ARG CZ C 15.938 -2.549 4.720 1.00 . A A . 8 ARG CZ 1 1 13 3377 1 1 8 ARG H H 11.279 -0.867 0.081 1.00 . A A . 8 ARG H 1 1 13 3378 1 1 8 ARG HA H 11.511 -2.166 2.716 1.00 . A A . 8 ARG HA 1 1 13 3379 1 1 8 ARG HB2 H 12.037 0.711 1.960 1.00 . A A . 8 ARG HB2 1 1 13 3380 1 1 8 ARG HB3 H 11.939 0.134 3.619 1.00 . A A . 8 ARG HB3 1 1 13 3381 1 1 8 ARG HD2 H 13.450 -1.471 4.451 1.00 . A A . 8 ARG HD2 1 1 13 3382 1 1 8 ARG HD3 H 13.668 -2.569 3.089 1.00 . A A . 8 ARG HD3 1 1 13 3383 1 1 8 ARG HE H 16.017 -1.121 3.329 1.00 . A A . 8 ARG HE 1 1 13 3384 1 1 8 ARG HG2 H 13.926 -0.816 1.565 1.00 . A A . 8 ARG HG2 1 1 13 3385 1 1 8 ARG HG3 H 14.250 0.363 2.837 1.00 . A A . 8 ARG HG3 1 1 13 3386 1 1 8 ARG HH11 H 14.164 -3.359 5.247 1.00 . A A . 8 ARG HH11 1 1 13 3387 1 1 8 ARG HH12 H 15.545 -3.993 6.078 1.00 . A A . 8 ARG HH12 1 1 13 3388 1 1 8 ARG HH21 H 17.638 -3.189 5.606 1.00 . A A . 8 ARG HH21 1 1 13 3389 1 1 8 ARG HH22 H 17.843 -1.947 4.416 1.00 . A A . 8 ARG HH22 1 1 13 3390 1 1 8 ARG N N 11.472 -1.563 0.743 1.00 . A A . 8 ARG N 1 1 13 3391 1 1 8 ARG NE N 15.417 -1.717 3.824 1.00 . A A . 8 ARG NE 1 1 13 3392 1 1 8 ARG NH1 N 15.151 -3.367 5.404 1.00 . A A . 8 ARG NH1 1 1 13 3393 1 1 8 ARG NH2 N 17.247 -2.564 4.931 1.00 . A A . 8 ARG NH2 1 1 13 3394 1 1 8 ARG O O 8.915 -1.732 2.313 1.00 . A A . 8 ARG O 1 1 13 3395 1 1 9 LYS C C 7.931 2.086 2.276 1.00 . A A . 9 LYS C 1 1 13 3396 1 1 9 LYS CA C 8.250 0.841 3.098 1.00 . A A . 9 LYS CA 1 1 13 3397 1 1 9 LYS CB C 8.113 1.153 4.590 1.00 . A A . 9 LYS CB 1 1 13 3398 1 1 9 LYS CD C 9.300 1.931 6.662 1.00 . A A . 9 LYS CD 1 1 13 3399 1 1 9 LYS CE C 8.166 2.729 7.287 1.00 . A A . 9 LYS CE 1 1 13 3400 1 1 9 LYS CG C 9.251 1.990 5.144 1.00 . A A . 9 LYS CG 1 1 13 3401 1 1 9 LYS H H 10.352 0.971 2.884 1.00 . A A . 9 LYS H 1 1 13 3402 1 1 9 LYS HA H 7.551 0.063 2.835 1.00 . A A . 9 LYS HA 1 1 13 3403 1 1 9 LYS HB2 H 7.188 1.688 4.750 1.00 . A A . 9 LYS HB2 1 1 13 3404 1 1 9 LYS HB3 H 8.079 0.222 5.139 1.00 . A A . 9 LYS HB3 1 1 13 3405 1 1 9 LYS HD2 H 9.218 0.902 6.976 1.00 . A A . 9 LYS HD2 1 1 13 3406 1 1 9 LYS HD3 H 10.243 2.338 6.999 1.00 . A A . 9 LYS HD3 1 1 13 3407 1 1 9 LYS HE2 H 8.586 3.499 7.915 1.00 . A A . 9 LYS HE2 1 1 13 3408 1 1 9 LYS HE3 H 7.586 3.185 6.498 1.00 . A A . 9 LYS HE3 1 1 13 3409 1 1 9 LYS HG2 H 10.186 1.618 4.751 1.00 . A A . 9 LYS HG2 1 1 13 3410 1 1 9 LYS HG3 H 9.113 3.018 4.837 1.00 . A A . 9 LYS HG3 1 1 13 3411 1 1 9 LYS HZ1 H 7.567 0.874 8.039 1.00 . A A . 9 LYS HZ1 1 1 13 3412 1 1 9 LYS HZ2 H 6.289 1.951 7.775 1.00 . A A . 9 LYS HZ2 1 1 13 3413 1 1 9 LYS HZ3 H 7.310 2.161 9.107 1.00 . A A . 9 LYS HZ3 1 1 13 3414 1 1 9 LYS N N 9.594 0.355 2.805 1.00 . A A . 9 LYS N 1 1 13 3415 1 1 9 LYS NZ N 7.270 1.868 8.109 1.00 . A A . 9 LYS NZ 1 1 13 3416 1 1 9 LYS O O 6.897 2.154 1.611 1.00 . A A . 9 LYS O 1 1 13 3417 1 1 10 CYS C C 9.059 4.143 0.128 1.00 . A A . 10 CYS C 1 1 13 3418 1 1 10 CYS CA C 8.639 4.310 1.585 1.00 . A A . 10 CYS CA 1 1 13 3419 1 1 10 CYS CB C 9.441 5.439 2.233 1.00 . A A . 10 CYS CB 1 1 13 3420 1 1 10 CYS H H 9.631 2.954 2.874 1.00 . A A . 10 CYS H 1 1 13 3421 1 1 10 CYS HA H 7.590 4.560 1.618 1.00 . A A . 10 CYS HA 1 1 13 3422 1 1 10 CYS HB2 H 10.151 5.014 2.927 1.00 . A A . 10 CYS HB2 1 1 13 3423 1 1 10 CYS HB3 H 9.976 5.977 1.465 1.00 . A A . 10 CYS HB3 1 1 13 3424 1 1 10 CYS HG H 8.594 6.402 4.437 1.00 . A A . 10 CYS HG 1 1 13 3425 1 1 10 CYS N N 8.826 3.067 2.326 1.00 . A A . 10 CYS N 1 1 13 3426 1 1 10 CYS O O 8.255 4.281 -0.794 1.00 . A A . 10 CYS O 1 1 13 3427 1 1 10 CYS SG S 8.432 6.633 3.143 1.00 . A A . 10 CYS SG 1 1 13 3428 1 1 11 PRO C C 10.394 2.375 -2.091 1.00 . A A . 11 PRO C 1 1 13 3429 1 1 11 PRO CA C 10.905 3.649 -1.428 1.00 . A A . 11 PRO CA 1 1 13 3430 1 1 11 PRO CB C 12.412 3.556 -1.177 1.00 . A A . 11 PRO CB 1 1 13 3431 1 1 11 PRO CD C 11.362 3.661 0.967 1.00 . A A . 11 PRO CD 1 1 13 3432 1 1 11 PRO CG C 12.532 3.075 0.228 1.00 . A A . 11 PRO CG 1 1 13 3433 1 1 11 PRO HA H 10.696 4.495 -2.068 1.00 . A A . 11 PRO HA 1 1 13 3434 1 1 11 PRO HB2 H 12.852 2.856 -1.873 1.00 . A A . 11 PRO HB2 1 1 13 3435 1 1 11 PRO HB3 H 12.862 4.528 -1.302 1.00 . A A . 11 PRO HB3 1 1 13 3436 1 1 11 PRO HD2 H 11.013 2.976 1.726 1.00 . A A . 11 PRO HD2 1 1 13 3437 1 1 11 PRO HD3 H 11.630 4.610 1.409 1.00 . A A . 11 PRO HD3 1 1 13 3438 1 1 11 PRO HG2 H 12.491 1.998 0.253 1.00 . A A . 11 PRO HG2 1 1 13 3439 1 1 11 PRO HG3 H 13.460 3.426 0.657 1.00 . A A . 11 PRO HG3 1 1 13 3440 1 1 11 PRO N N 10.348 3.840 -0.085 1.00 . A A . 11 PRO N 1 1 13 3441 1 1 11 PRO O O 10.346 1.313 -1.466 1.00 . A A . 11 PRO O 1 1 13 3442 1 1 12 LEU C C 10.353 1.083 -5.350 1.00 . A A . 12 LEU C 1 1 13 3443 1 1 12 LEU CA C 9.506 1.339 -4.107 1.00 . A A . 12 LEU CA 1 1 13 3444 1 1 12 LEU CB C 8.048 1.572 -4.508 1.00 . A A . 12 LEU CB 1 1 13 3445 1 1 12 LEU CD1 C 6.888 -0.519 -3.758 1.00 . A A . 12 LEU CD1 1 1 13 3446 1 1 12 LEU CD2 C 6.031 0.740 -5.742 1.00 . A A . 12 LEU CD2 1 1 13 3447 1 1 12 LEU CG C 7.270 0.334 -4.957 1.00 . A A . 12 LEU CG 1 1 13 3448 1 1 12 LEU H H 10.073 3.355 -3.803 1.00 . A A . 12 LEU H 1 1 13 3449 1 1 12 LEU HA H 9.560 0.473 -3.464 1.00 . A A . 12 LEU HA 1 1 13 3450 1 1 12 LEU HB2 H 7.535 1.995 -3.659 1.00 . A A . 12 LEU HB2 1 1 13 3451 1 1 12 LEU HB3 H 8.040 2.283 -5.323 1.00 . A A . 12 LEU HB3 1 1 13 3452 1 1 12 LEU HD11 H 7.266 -1.521 -3.894 1.00 . A A . 12 LEU HD11 1 1 13 3453 1 1 12 LEU HD12 H 5.812 -0.550 -3.666 1.00 . A A . 12 LEU HD12 1 1 13 3454 1 1 12 LEU HD13 H 7.314 -0.093 -2.862 1.00 . A A . 12 LEU HD13 1 1 13 3455 1 1 12 LEU HD21 H 5.739 -0.068 -6.396 1.00 . A A . 12 LEU HD21 1 1 13 3456 1 1 12 LEU HD22 H 6.249 1.619 -6.329 1.00 . A A . 12 LEU HD22 1 1 13 3457 1 1 12 LEU HD23 H 5.225 0.957 -5.055 1.00 . A A . 12 LEU HD23 1 1 13 3458 1 1 12 LEU HG H 7.897 -0.262 -5.605 1.00 . A A . 12 LEU HG 1 1 13 3459 1 1 12 LEU N N 10.013 2.485 -3.359 1.00 . A A . 12 LEU N 1 1 13 3460 1 1 12 LEU O O 11.561 0.866 -5.256 1.00 . A A . 12 LEU O 1 1 13 3461 1 1 13 PHE C C 10.934 2.193 -8.350 1.00 . A A . 13 PHE C 1 1 13 3462 1 1 13 PHE CA C 10.406 0.882 -7.775 1.00 . A A . 13 PHE CA 1 1 13 3463 1 1 13 PHE CB C 9.469 0.211 -8.782 1.00 . A A . 13 PHE CB 1 1 13 3464 1 1 13 PHE CD1 C 7.968 -1.513 -7.748 1.00 . A A . 13 PHE CD1 1 1 13 3465 1 1 13 PHE CD2 C 9.984 -2.245 -8.791 1.00 . A A . 13 PHE CD2 1 1 13 3466 1 1 13 PHE CE1 C 7.657 -2.821 -7.425 1.00 . A A . 13 PHE CE1 1 1 13 3467 1 1 13 PHE CE2 C 9.677 -3.554 -8.473 1.00 . A A . 13 PHE CE2 1 1 13 3468 1 1 13 PHE CG C 9.134 -1.210 -8.434 1.00 . A A . 13 PHE CG 1 1 13 3469 1 1 13 PHE CZ C 8.513 -3.842 -7.787 1.00 . A A . 13 PHE CZ 1 1 13 3470 1 1 13 PHE H H 8.747 1.289 -6.523 1.00 . A A . 13 PHE H 1 1 13 3471 1 1 13 PHE HA H 11.239 0.227 -7.579 1.00 . A A . 13 PHE HA 1 1 13 3472 1 1 13 PHE HB2 H 8.545 0.767 -8.830 1.00 . A A . 13 PHE HB2 1 1 13 3473 1 1 13 PHE HB3 H 9.938 0.214 -9.755 1.00 . A A . 13 PHE HB3 1 1 13 3474 1 1 13 PHE HD1 H 7.298 -0.715 -7.463 1.00 . A A . 13 PHE HD1 1 1 13 3475 1 1 13 PHE HD2 H 10.896 -2.021 -9.326 1.00 . A A . 13 PHE HD2 1 1 13 3476 1 1 13 PHE HE1 H 6.746 -3.043 -6.890 1.00 . A A . 13 PHE HE1 1 1 13 3477 1 1 13 PHE HE2 H 10.348 -4.351 -8.756 1.00 . A A . 13 PHE HE2 1 1 13 3478 1 1 13 PHE HZ H 8.271 -4.865 -7.538 1.00 . A A . 13 PHE HZ 1 1 13 3479 1 1 13 PHE N N 9.711 1.111 -6.512 1.00 . A A . 13 PHE N 1 1 13 3480 1 1 13 PHE O O 12.083 2.566 -8.120 1.00 . A A . 13 PHE O 1 1 13 3481 1 1 14 GLY C C 9.580 5.297 -9.286 1.00 . A A . 14 GLY C 1 1 13 3482 1 1 14 GLY CA C 10.482 4.150 -9.697 1.00 . A A . 14 GLY CA 1 1 13 3483 1 1 14 GLY H H 9.179 2.542 -9.249 1.00 . A A . 14 GLY H 1 1 13 3484 1 1 14 GLY HA2 H 11.494 4.375 -9.394 1.00 . A A . 14 GLY HA2 1 1 13 3485 1 1 14 GLY HA3 H 10.453 4.051 -10.772 1.00 . A A . 14 GLY HA3 1 1 13 3486 1 1 14 GLY N N 10.084 2.889 -9.099 1.00 . A A . 14 GLY N 1 1 13 3487 1 1 14 GLY O O 9.758 6.428 -9.737 1.00 . A A . 14 GLY O 1 1 13 3488 1 1 15 LYS C C 7.936 6.364 -6.495 1.00 . A A . 15 LYS C 1 1 13 3489 1 1 15 LYS CA C 7.673 6.020 -7.957 1.00 . A A . 15 LYS CA 1 1 13 3490 1 1 15 LYS CB C 6.232 5.533 -8.127 1.00 . A A . 15 LYS CB 1 1 13 3491 1 1 15 LYS CD C 6.268 3.081 -8.672 1.00 . A A . 15 LYS CD 1 1 13 3492 1 1 15 LYS CE C 4.988 2.662 -9.377 1.00 . A A . 15 LYS CE 1 1 13 3493 1 1 15 LYS CG C 6.000 4.127 -7.603 1.00 . A A . 15 LYS CG 1 1 13 3494 1 1 15 LYS H H 8.517 4.084 -8.105 1.00 . A A . 15 LYS H 1 1 13 3495 1 1 15 LYS HA H 7.818 6.907 -8.555 1.00 . A A . 15 LYS HA 1 1 13 3496 1 1 15 LYS HB2 H 5.573 6.205 -7.598 1.00 . A A . 15 LYS HB2 1 1 13 3497 1 1 15 LYS HB3 H 5.981 5.549 -9.177 1.00 . A A . 15 LYS HB3 1 1 13 3498 1 1 15 LYS HD2 H 6.950 3.492 -9.401 1.00 . A A . 15 LYS HD2 1 1 13 3499 1 1 15 LYS HD3 H 6.716 2.213 -8.209 1.00 . A A . 15 LYS HD3 1 1 13 3500 1 1 15 LYS HE2 H 4.682 1.699 -8.997 1.00 . A A . 15 LYS HE2 1 1 13 3501 1 1 15 LYS HE3 H 4.221 3.392 -9.166 1.00 . A A . 15 LYS HE3 1 1 13 3502 1 1 15 LYS HG2 H 6.659 3.950 -6.766 1.00 . A A . 15 LYS HG2 1 1 13 3503 1 1 15 LYS HG3 H 4.972 4.040 -7.277 1.00 . A A . 15 LYS HG3 1 1 13 3504 1 1 15 LYS HZ1 H 5.706 3.386 -11.199 1.00 . A A . 15 LYS HZ1 1 1 13 3505 1 1 15 LYS HZ2 H 4.248 2.537 -11.326 1.00 . A A . 15 LYS HZ2 1 1 13 3506 1 1 15 LYS HZ3 H 5.698 1.699 -11.089 1.00 . A A . 15 LYS HZ3 1 1 13 3507 1 1 15 LYS N N 8.608 5.005 -8.429 1.00 . A A . 15 LYS N 1 1 13 3508 1 1 15 LYS NZ N 5.173 2.565 -10.851 1.00 . A A . 15 LYS NZ 1 1 13 3509 1 1 15 LYS O O 9.030 6.799 -6.137 1.00 . A A . 15 LYS O 1 1 13 3510 1 1 16 GLY C C 6.934 5.218 -3.375 1.00 . A A . 16 GLY C 1 1 13 3511 1 1 16 GLY CA C 7.070 6.455 -4.239 1.00 . A A . 16 GLY CA 1 1 13 3512 1 1 16 GLY H H 6.077 5.813 -5.995 1.00 . A A . 16 GLY H 1 1 13 3513 1 1 16 GLY HA2 H 8.042 6.895 -4.071 1.00 . A A . 16 GLY HA2 1 1 13 3514 1 1 16 GLY HA3 H 6.309 7.167 -3.952 1.00 . A A . 16 GLY HA3 1 1 13 3515 1 1 16 GLY N N 6.926 6.163 -5.653 1.00 . A A . 16 GLY N 1 1 13 3516 1 1 16 GLY O O 7.832 4.378 -3.336 1.00 . A A . 16 GLY O 1 1 13 3517 1 1 17 GLY C C 5.315 4.360 -0.377 1.00 . A A . 17 GLY C 1 1 13 3518 1 1 17 GLY CA C 5.579 3.961 -1.814 1.00 . A A . 17 GLY CA 1 1 13 3519 1 1 17 GLY H H 5.127 5.808 -2.745 1.00 . A A . 17 GLY H 1 1 13 3520 1 1 17 GLY HA2 H 4.729 3.410 -2.186 1.00 . A A . 17 GLY HA2 1 1 13 3521 1 1 17 GLY HA3 H 6.451 3.324 -1.844 1.00 . A A . 17 GLY HA3 1 1 13 3522 1 1 17 GLY N N 5.808 5.107 -2.676 1.00 . A A . 17 GLY N 1 1 13 3523 1 1 17 GLY O O 4.905 5.489 -0.104 1.00 . A A . 17 GLY O 1 1 14 3524 1 1 1 PTL C1 C 2.992 -1.681 -0.505 1.00 . A A . 1 PTL C1 1 1 14 3525 1 1 1 PTL C2 C 2.324 -0.413 0.016 1.00 . A A . 1 PTL C2 1 1 14 3526 1 1 1 PTL C3 C 3.300 0.762 -0.065 1.00 . A A . 1 PTL C3 1 1 14 3527 1 1 1 PTL C4 C 4.475 0.643 0.892 1.00 . A A . 1 PTL C4 1 1 14 3528 1 1 1 PTL C5 C 4.210 1.296 2.216 1.00 . A A . 1 PTL C5 1 1 14 3529 1 1 1 PTL H21 H 1.978 -0.548 1.041 1.00 . A A . 1 PTL H21 1 1 14 3530 1 1 1 PTL H22 H 1.462 -0.196 -0.597 1.00 . A A . 1 PTL H22 1 1 14 3531 1 1 1 PTL H31 H 3.687 0.824 -1.071 1.00 . A A . 1 PTL H31 1 1 14 3532 1 1 1 PTL H32 H 2.769 1.673 0.164 1.00 . A A . 1 PTL H32 1 1 14 3533 1 1 1 PTL H41 H 4.682 -0.404 1.059 1.00 . A A . 1 PTL H41 1 1 14 3534 1 1 1 PTL H42 H 5.337 1.111 0.441 1.00 . A A . 1 PTL H42 1 1 14 3535 1 1 1 PTL H51 H 4.008 2.356 2.065 1.00 . A A . 1 PTL H51 1 1 14 3536 1 1 1 PTL H52 H 5.083 1.180 2.860 1.00 . A A . 1 PTL H52 1 1 14 3537 1 1 1 PTL H53 H 3.347 0.826 2.688 1.00 . A A . 1 PTL H53 1 1 14 3538 1 1 1 PTL O1 O 2.997 -2.713 0.168 1.00 . A A . 1 PTL O1 1 1 14 3539 1 1 2 VAL C C 5.687 -2.814 -1.882 1.00 . A A . 2 VAL C 1 1 14 3540 1 1 2 VAL CA C 4.227 -2.739 -2.316 1.00 . A A . 2 VAL CA 1 1 14 3541 1 1 2 VAL CB C 4.162 -2.673 -3.853 1.00 . A A . 2 VAL CB 1 1 14 3542 1 1 2 VAL CG1 C 4.860 -3.875 -4.470 1.00 . A A . 2 VAL CG1 1 1 14 3543 1 1 2 VAL CG2 C 2.717 -2.587 -4.321 1.00 . A A . 2 VAL CG2 1 1 14 3544 1 1 2 VAL H H 3.519 -0.749 -2.193 1.00 . A A . 2 VAL H 1 1 14 3545 1 1 2 VAL HA H 3.719 -3.638 -1.993 1.00 . A A . 2 VAL HA 1 1 14 3546 1 1 2 VAL HB H 4.678 -1.781 -4.176 1.00 . A A . 2 VAL HB 1 1 14 3547 1 1 2 VAL HG11 H 4.849 -4.696 -3.768 1.00 . A A . 2 VAL HG11 1 1 14 3548 1 1 2 VAL HG12 H 4.346 -4.167 -5.373 1.00 . A A . 2 VAL HG12 1 1 14 3549 1 1 2 VAL HG13 H 5.882 -3.617 -4.704 1.00 . A A . 2 VAL HG13 1 1 14 3550 1 1 2 VAL HG21 H 2.502 -3.415 -4.980 1.00 . A A . 2 VAL HG21 1 1 14 3551 1 1 2 VAL HG22 H 2.059 -2.627 -3.466 1.00 . A A . 2 VAL HG22 1 1 14 3552 1 1 2 VAL HG23 H 2.565 -1.657 -4.850 1.00 . A A . 2 VAL HG23 1 1 14 3553 1 1 2 VAL N N 3.555 -1.598 -1.705 1.00 . A A . 2 VAL N 1 1 14 3554 1 1 2 VAL O O 6.329 -3.855 -2.006 1.00 . A A . 2 VAL O 1 1 14 3555 1 1 3 ALA C C 7.823 -2.588 0.253 1.00 . A A . 3 ALA C 1 1 14 3556 1 1 3 ALA CA C 7.588 -1.640 -0.918 1.00 . A A . 3 ALA CA 1 1 14 3557 1 1 3 ALA CB C 7.953 -0.216 -0.528 1.00 . A A . 3 ALA CB 1 1 14 3558 1 1 3 ALA H H 5.642 -0.902 -1.299 1.00 . A A . 3 ALA H 1 1 14 3559 1 1 3 ALA HA H 8.223 -1.936 -1.741 1.00 . A A . 3 ALA HA 1 1 14 3560 1 1 3 ALA HB1 H 8.568 -0.233 0.360 1.00 . A A . 3 ALA HB1 1 1 14 3561 1 1 3 ALA HB2 H 8.499 0.249 -1.336 1.00 . A A . 3 ALA HB2 1 1 14 3562 1 1 3 ALA HB3 H 7.052 0.346 -0.332 1.00 . A A . 3 ALA HB3 1 1 14 3563 1 1 3 ALA N N 6.205 -1.701 -1.373 1.00 . A A . 3 ALA N 1 1 14 3564 1 1 3 ALA O O 8.925 -3.107 0.432 1.00 . A A . 3 ALA O 1 1 14 3565 1 1 4 ARG C C 7.378 -5.076 1.790 1.00 . A A . 4 ARG C 1 1 14 3566 1 1 4 ARG CA C 6.876 -3.695 2.202 1.00 . A A . 4 ARG CA 1 1 14 3567 1 1 4 ARG CB C 5.514 -3.820 2.888 1.00 . A A . 4 ARG CB 1 1 14 3568 1 1 4 ARG CD C 3.099 -4.461 2.614 1.00 . A A . 4 ARG CD 1 1 14 3569 1 1 4 ARG CG C 4.521 -4.679 2.122 1.00 . A A . 4 ARG CG 1 1 14 3570 1 1 4 ARG CZ C 1.943 -6.568 2.101 1.00 . A A . 4 ARG CZ 1 1 14 3571 1 1 4 ARG H H 5.928 -2.369 0.853 1.00 . A A . 4 ARG H 1 1 14 3572 1 1 4 ARG HA H 7.581 -3.262 2.895 1.00 . A A . 4 ARG HA 1 1 14 3573 1 1 4 ARG HB2 H 5.656 -4.258 3.865 1.00 . A A . 4 ARG HB2 1 1 14 3574 1 1 4 ARG HB3 H 5.091 -2.834 3.003 1.00 . A A . 4 ARG HB3 1 1 14 3575 1 1 4 ARG HD2 H 3.051 -4.722 3.660 1.00 . A A . 4 ARG HD2 1 1 14 3576 1 1 4 ARG HD3 H 2.847 -3.418 2.492 1.00 . A A . 4 ARG HD3 1 1 14 3577 1 1 4 ARG HE H 1.605 -4.830 1.183 1.00 . A A . 4 ARG HE 1 1 14 3578 1 1 4 ARG HG2 H 4.572 -4.421 1.074 1.00 . A A . 4 ARG HG2 1 1 14 3579 1 1 4 ARG HG3 H 4.784 -5.718 2.252 1.00 . A A . 4 ARG HG3 1 1 14 3580 1 1 4 ARG HH11 H 3.320 -6.692 3.573 1.00 . A A . 4 ARG HH11 1 1 14 3581 1 1 4 ARG HH12 H 2.497 -8.169 3.201 1.00 . A A . 4 ARG HH12 1 1 14 3582 1 1 4 ARG HH21 H 0.902 -8.214 1.558 1.00 . A A . 4 ARG HH21 1 1 14 3583 1 1 4 ARG HH22 H 0.515 -6.770 0.685 1.00 . A A . 4 ARG HH22 1 1 14 3584 1 1 4 ARG N N 6.781 -2.810 1.047 1.00 . A A . 4 ARG N 1 1 14 3585 1 1 4 ARG NE N 2.135 -5.272 1.877 1.00 . A A . 4 ARG NE 1 1 14 3586 1 1 4 ARG NH1 N 2.644 -7.194 3.035 1.00 . A A . 4 ARG NH1 1 1 14 3587 1 1 4 ARG NH2 N 1.045 -7.239 1.389 1.00 . A A . 4 ARG NH2 1 1 14 3588 1 1 4 ARG O O 8.071 -5.749 2.551 1.00 . A A . 4 ARG O 1 1 14 3589 1 1 5 GLY C C 8.250 -6.690 -1.194 1.00 . A A . 5 GLY C 1 1 14 3590 1 1 5 GLY CA C 7.444 -6.790 0.085 1.00 . A A . 5 GLY CA 1 1 14 3591 1 1 5 GLY H H 6.467 -4.912 0.013 1.00 . A A . 5 GLY H 1 1 14 3592 1 1 5 GLY HA2 H 8.046 -7.272 0.842 1.00 . A A . 5 GLY HA2 1 1 14 3593 1 1 5 GLY HA3 H 6.568 -7.394 -0.102 1.00 . A A . 5 GLY HA3 1 1 14 3594 1 1 5 GLY N N 7.022 -5.492 0.578 1.00 . A A . 5 GLY N 1 1 14 3595 1 1 5 GLY O O 8.579 -7.705 -1.809 1.00 . A A . 5 GLY O 1 1 14 3596 1 1 6 TRP C C 10.747 -4.751 -2.482 1.00 . A A . 6 TRP C 1 1 14 3597 1 1 6 TRP CA C 9.340 -5.238 -2.813 1.00 . A A . 6 TRP CA 1 1 14 3598 1 1 6 TRP CB C 8.632 -4.219 -3.708 1.00 . A A . 6 TRP CB 1 1 14 3599 1 1 6 TRP CD1 C 9.532 -2.517 -5.399 1.00 . A A . 6 TRP CD1 1 1 14 3600 1 1 6 TRP CD2 C 10.334 -4.592 -5.665 1.00 . A A . 6 TRP CD2 1 1 14 3601 1 1 6 TRP CE2 C 10.904 -3.760 -6.650 1.00 . A A . 6 TRP CE2 1 1 14 3602 1 1 6 TRP CE3 C 10.693 -5.942 -5.634 1.00 . A A . 6 TRP CE3 1 1 14 3603 1 1 6 TRP CG C 9.461 -3.777 -4.875 1.00 . A A . 6 TRP CG 1 1 14 3604 1 1 6 TRP CH2 C 12.141 -5.565 -7.541 1.00 . A A . 6 TRP CH2 1 1 14 3605 1 1 6 TRP CZ2 C 11.808 -4.238 -7.594 1.00 . A A . 6 TRP CZ2 1 1 14 3606 1 1 6 TRP CZ3 C 11.591 -6.414 -6.572 1.00 . A A . 6 TRP CZ3 1 1 14 3607 1 1 6 TRP H H 8.278 -4.696 -1.065 1.00 . A A . 6 TRP H 1 1 14 3608 1 1 6 TRP HA H 9.411 -6.179 -3.340 1.00 . A A . 6 TRP HA 1 1 14 3609 1 1 6 TRP HB2 H 7.723 -4.657 -4.092 1.00 . A A . 6 TRP HB2 1 1 14 3610 1 1 6 TRP HB3 H 8.387 -3.346 -3.122 1.00 . A A . 6 TRP HB3 1 1 14 3611 1 1 6 TRP HD1 H 8.982 -1.669 -5.021 1.00 . A A . 6 TRP HD1 1 1 14 3612 1 1 6 TRP HE1 H 10.618 -1.714 -7.008 1.00 . A A . 6 TRP HE1 1 1 14 3613 1 1 6 TRP HE3 H 10.279 -6.613 -4.896 1.00 . A A . 6 TRP HE3 1 1 14 3614 1 1 6 TRP HH2 H 12.839 -5.976 -8.253 1.00 . A A . 6 TRP HH2 1 1 14 3615 1 1 6 TRP HZ2 H 12.242 -3.595 -8.346 1.00 . A A . 6 TRP HZ2 1 1 14 3616 1 1 6 TRP HZ3 H 11.879 -7.456 -6.564 1.00 . A A . 6 TRP HZ3 1 1 14 3617 1 1 6 TRP N N 8.569 -5.466 -1.597 1.00 . A A . 6 TRP N 1 1 14 3618 1 1 6 TRP NE1 N 10.398 -2.501 -6.467 1.00 . A A . 6 TRP NE1 1 1 14 3619 1 1 6 TRP O O 11.736 -5.390 -2.841 1.00 . A A . 6 TRP O 1 1 14 3620 1 1 7 LYS C C 12.223 -2.911 0.101 1.00 . A A . 7 LYS C 1 1 14 3621 1 1 7 LYS CA C 12.116 -3.045 -1.414 1.00 . A A . 7 LYS CA 1 1 14 3622 1 1 7 LYS CB C 12.303 -1.677 -2.072 1.00 . A A . 7 LYS CB 1 1 14 3623 1 1 7 LYS CD C 12.935 -2.887 -4.180 1.00 . A A . 7 LYS CD 1 1 14 3624 1 1 7 LYS CE C 13.722 -2.806 -5.480 1.00 . A A . 7 LYS CE 1 1 14 3625 1 1 7 LYS CG C 13.229 -1.703 -3.276 1.00 . A A . 7 LYS CG 1 1 14 3626 1 1 7 LYS H H 10.004 -3.154 -1.538 1.00 . A A . 7 LYS H 1 1 14 3627 1 1 7 LYS HA H 12.891 -3.711 -1.760 1.00 . A A . 7 LYS HA 1 1 14 3628 1 1 7 LYS HB2 H 11.339 -1.310 -2.394 1.00 . A A . 7 LYS HB2 1 1 14 3629 1 1 7 LYS HB3 H 12.714 -0.994 -1.343 1.00 . A A . 7 LYS HB3 1 1 14 3630 1 1 7 LYS HD2 H 13.205 -3.798 -3.667 1.00 . A A . 7 LYS HD2 1 1 14 3631 1 1 7 LYS HD3 H 11.878 -2.900 -4.409 1.00 . A A . 7 LYS HD3 1 1 14 3632 1 1 7 LYS HE2 H 13.717 -3.778 -5.950 1.00 . A A . 7 LYS HE2 1 1 14 3633 1 1 7 LYS HE3 H 13.243 -2.090 -6.131 1.00 . A A . 7 LYS HE3 1 1 14 3634 1 1 7 LYS HG2 H 13.098 -0.792 -3.840 1.00 . A A . 7 LYS HG2 1 1 14 3635 1 1 7 LYS HG3 H 14.252 -1.771 -2.930 1.00 . A A . 7 LYS HG3 1 1 14 3636 1 1 7 LYS HZ1 H 15.217 -1.353 -5.347 1.00 . A A . 7 LYS HZ1 1 1 14 3637 1 1 7 LYS HZ2 H 15.758 -2.841 -5.943 1.00 . A A . 7 LYS HZ2 1 1 14 3638 1 1 7 LYS HZ3 H 15.434 -2.657 -4.292 1.00 . A A . 7 LYS HZ3 1 1 14 3639 1 1 7 LYS N N 10.829 -3.618 -1.795 1.00 . A A . 7 LYS N 1 1 14 3640 1 1 7 LYS NZ N 15.131 -2.385 -5.249 1.00 . A A . 7 LYS NZ 1 1 14 3641 1 1 7 LYS O O 12.724 -3.808 0.779 1.00 . A A . 7 LYS O 1 1 14 3642 1 1 8 ARG C C 10.394 -1.258 2.608 1.00 . A A . 8 ARG C 1 1 14 3643 1 1 8 ARG CA C 11.792 -1.535 2.062 1.00 . A A . 8 ARG CA 1 1 14 3644 1 1 8 ARG CB C 12.714 -0.353 2.368 1.00 . A A . 8 ARG CB 1 1 14 3645 1 1 8 ARG CD C 14.889 0.424 1.376 1.00 . A A . 8 ARG CD 1 1 14 3646 1 1 8 ARG CG C 14.189 -0.664 2.174 1.00 . A A . 8 ARG CG 1 1 14 3647 1 1 8 ARG CZ C 16.898 0.650 -0.021 1.00 . A A . 8 ARG CZ 1 1 14 3648 1 1 8 ARG H H 11.362 -1.107 0.034 1.00 . A A . 8 ARG H 1 1 14 3649 1 1 8 ARG HA H 12.184 -2.419 2.542 1.00 . A A . 8 ARG HA 1 1 14 3650 1 1 8 ARG HB2 H 12.454 0.469 1.716 1.00 . A A . 8 ARG HB2 1 1 14 3651 1 1 8 ARG HB3 H 12.564 -0.051 3.393 1.00 . A A . 8 ARG HB3 1 1 14 3652 1 1 8 ARG HD2 H 14.166 0.898 0.729 1.00 . A A . 8 ARG HD2 1 1 14 3653 1 1 8 ARG HD3 H 15.290 1.154 2.063 1.00 . A A . 8 ARG HD3 1 1 14 3654 1 1 8 ARG HE H 16.020 -1.080 0.440 1.00 . A A . 8 ARG HE 1 1 14 3655 1 1 8 ARG HG2 H 14.661 -0.745 3.142 1.00 . A A . 8 ARG HG2 1 1 14 3656 1 1 8 ARG HG3 H 14.282 -1.603 1.647 1.00 . A A . 8 ARG HG3 1 1 14 3657 1 1 8 ARG HH11 H 16.144 2.392 0.670 1.00 . A A . 8 ARG HH11 1 1 14 3658 1 1 8 ARG HH12 H 17.561 2.536 -0.316 1.00 . A A . 8 ARG HH12 1 1 14 3659 1 1 8 ARG HH21 H 18.551 0.663 -1.186 1.00 . A A . 8 ARG HH21 1 1 14 3660 1 1 8 ARG HH22 H 17.886 -0.902 -0.859 1.00 . A A . 8 ARG HH22 1 1 14 3661 1 1 8 ARG N N 11.749 -1.786 0.626 1.00 . A A . 8 ARG N 1 1 14 3662 1 1 8 ARG NE N 15.976 -0.109 0.560 1.00 . A A . 8 ARG NE 1 1 14 3663 1 1 8 ARG NH1 N 16.865 1.967 0.122 1.00 . A A . 8 ARG NH1 1 1 14 3664 1 1 8 ARG NH2 N 17.857 0.091 -0.749 1.00 . A A . 8 ARG NH2 1 1 14 3665 1 1 8 ARG O O 9.587 -2.173 2.773 1.00 . A A . 8 ARG O 1 1 14 3666 1 1 9 LYS C C 8.151 1.439 2.502 1.00 . A A . 9 LYS C 1 1 14 3667 1 1 9 LYS CA C 8.814 0.410 3.413 1.00 . A A . 9 LYS CA 1 1 14 3668 1 1 9 LYS CB C 8.968 0.986 4.823 1.00 . A A . 9 LYS CB 1 1 14 3669 1 1 9 LYS CD C 10.757 0.321 6.456 1.00 . A A . 9 LYS CD 1 1 14 3670 1 1 9 LYS CE C 10.600 1.006 7.804 1.00 . A A . 9 LYS CE 1 1 14 3671 1 1 9 LYS CG C 9.409 -0.040 5.853 1.00 . A A . 9 LYS CG 1 1 14 3672 1 1 9 LYS H H 10.800 0.696 2.734 1.00 . A A . 9 LYS H 1 1 14 3673 1 1 9 LYS HA H 8.190 -0.469 3.458 1.00 . A A . 9 LYS HA 1 1 14 3674 1 1 9 LYS HB2 H 9.700 1.779 4.798 1.00 . A A . 9 LYS HB2 1 1 14 3675 1 1 9 LYS HB3 H 8.017 1.394 5.138 1.00 . A A . 9 LYS HB3 1 1 14 3676 1 1 9 LYS HD2 H 11.335 -0.582 6.589 1.00 . A A . 9 LYS HD2 1 1 14 3677 1 1 9 LYS HD3 H 11.276 0.987 5.781 1.00 . A A . 9 LYS HD3 1 1 14 3678 1 1 9 LYS HE2 H 9.904 1.824 7.699 1.00 . A A . 9 LYS HE2 1 1 14 3679 1 1 9 LYS HE3 H 10.209 0.292 8.514 1.00 . A A . 9 LYS HE3 1 1 14 3680 1 1 9 LYS HG2 H 8.674 -0.083 6.644 1.00 . A A . 9 LYS HG2 1 1 14 3681 1 1 9 LYS HG3 H 9.485 -1.006 5.377 1.00 . A A . 9 LYS HG3 1 1 14 3682 1 1 9 LYS HZ1 H 12.620 1.485 7.568 1.00 . A A . 9 LYS HZ1 1 1 14 3683 1 1 9 LYS HZ2 H 12.214 0.975 9.129 1.00 . A A . 9 LYS HZ2 1 1 14 3684 1 1 9 LYS HZ3 H 11.787 2.526 8.609 1.00 . A A . 9 LYS HZ3 1 1 14 3685 1 1 9 LYS N N 10.115 0.011 2.887 1.00 . A A . 9 LYS N 1 1 14 3686 1 1 9 LYS NZ N 11.896 1.535 8.313 1.00 . A A . 9 LYS NZ 1 1 14 3687 1 1 9 LYS O O 7.169 1.138 1.824 1.00 . A A . 9 LYS O 1 1 14 3688 1 1 10 CYS C C 8.542 3.526 0.200 1.00 . A A . 10 CYS C 1 1 14 3689 1 1 10 CYS CA C 8.157 3.723 1.663 1.00 . A A . 10 CYS CA 1 1 14 3690 1 1 10 CYS CB C 8.661 5.080 2.158 1.00 . A A . 10 CYS CB 1 1 14 3691 1 1 10 CYS H H 9.478 2.829 3.054 1.00 . A A . 10 CYS H 1 1 14 3692 1 1 10 CYS HA H 7.080 3.696 1.746 1.00 . A A . 10 CYS HA 1 1 14 3693 1 1 10 CYS HB2 H 9.505 4.924 2.813 1.00 . A A . 10 CYS HB2 1 1 14 3694 1 1 10 CYS HB3 H 8.975 5.669 1.308 1.00 . A A . 10 CYS HB3 1 1 14 3695 1 1 10 CYS HG H 6.915 6.937 2.242 1.00 . A A . 10 CYS HG 1 1 14 3696 1 1 10 CYS N N 8.695 2.651 2.491 1.00 . A A . 10 CYS N 1 1 14 3697 1 1 10 CYS O O 7.692 3.325 -0.669 1.00 . A A . 10 CYS O 1 1 14 3698 1 1 10 CYS SG S 7.427 6.037 3.069 1.00 . A A . 10 CYS SG 1 1 14 3699 1 1 11 PRO C C 10.237 1.985 -1.941 1.00 . A A . 11 PRO C 1 1 14 3700 1 1 11 PRO CA C 10.379 3.417 -1.438 1.00 . A A . 11 PRO CA 1 1 14 3701 1 1 11 PRO CB C 11.857 3.788 -1.292 1.00 . A A . 11 PRO CB 1 1 14 3702 1 1 11 PRO CD C 10.919 3.821 0.906 1.00 . A A . 11 PRO CD 1 1 14 3703 1 1 11 PRO CG C 12.176 3.520 0.138 1.00 . A A . 11 PRO CG 1 1 14 3704 1 1 11 PRO HA H 9.903 4.092 -2.135 1.00 . A A . 11 PRO HA 1 1 14 3705 1 1 11 PRO HB2 H 12.452 3.174 -1.953 1.00 . A A . 11 PRO HB2 1 1 14 3706 1 1 11 PRO HB3 H 11.996 4.830 -1.539 1.00 . A A . 11 PRO HB3 1 1 14 3707 1 1 11 PRO HD2 H 10.822 3.152 1.748 1.00 . A A . 11 PRO HD2 1 1 14 3708 1 1 11 PRO HD3 H 10.916 4.849 1.237 1.00 . A A . 11 PRO HD3 1 1 14 3709 1 1 11 PRO HG2 H 12.454 2.485 0.265 1.00 . A A . 11 PRO HG2 1 1 14 3710 1 1 11 PRO HG3 H 12.977 4.168 0.462 1.00 . A A . 11 PRO HG3 1 1 14 3711 1 1 11 PRO N N 9.851 3.586 -0.081 1.00 . A A . 11 PRO N 1 1 14 3712 1 1 11 PRO O O 10.647 1.037 -1.272 1.00 . A A . 11 PRO O 1 1 14 3713 1 1 12 LEU C C 10.142 0.426 -5.078 1.00 . A A . 12 LEU C 1 1 14 3714 1 1 12 LEU CA C 9.456 0.517 -3.720 1.00 . A A . 12 LEU CA 1 1 14 3715 1 1 12 LEU CB C 7.963 0.219 -3.867 1.00 . A A . 12 LEU CB 1 1 14 3716 1 1 12 LEU CD1 C 6.945 2.405 -4.556 1.00 . A A . 12 LEU CD1 1 1 14 3717 1 1 12 LEU CD2 C 5.625 0.794 -3.172 1.00 . A A . 12 LEU CD2 1 1 14 3718 1 1 12 LEU CG C 7.011 1.347 -3.466 1.00 . A A . 12 LEU CG 1 1 14 3719 1 1 12 LEU H H 9.346 2.627 -3.611 1.00 . A A . 12 LEU H 1 1 14 3720 1 1 12 LEU HA H 9.896 -0.214 -3.057 1.00 . A A . 12 LEU HA 1 1 14 3721 1 1 12 LEU HB2 H 7.775 -0.018 -4.903 1.00 . A A . 12 LEU HB2 1 1 14 3722 1 1 12 LEU HB3 H 7.736 -0.641 -3.254 1.00 . A A . 12 LEU HB3 1 1 14 3723 1 1 12 LEU HD11 H 6.419 3.271 -4.187 1.00 . A A . 12 LEU HD11 1 1 14 3724 1 1 12 LEU HD12 H 6.424 2.005 -5.414 1.00 . A A . 12 LEU HD12 1 1 14 3725 1 1 12 LEU HD13 H 7.948 2.687 -4.845 1.00 . A A . 12 LEU HD13 1 1 14 3726 1 1 12 LEU HD21 H 4.913 1.220 -3.864 1.00 . A A . 12 LEU HD21 1 1 14 3727 1 1 12 LEU HD22 H 5.342 1.051 -2.162 1.00 . A A . 12 LEU HD22 1 1 14 3728 1 1 12 LEU HD23 H 5.635 -0.281 -3.281 1.00 . A A . 12 LEU HD23 1 1 14 3729 1 1 12 LEU HG H 7.382 1.819 -2.567 1.00 . A A . 12 LEU HG 1 1 14 3730 1 1 12 LEU N N 9.653 1.835 -3.125 1.00 . A A . 12 LEU N 1 1 14 3731 1 1 12 LEU O O 11.270 -0.057 -5.185 1.00 . A A . 12 LEU O 1 1 14 3732 1 1 13 PHE C C 10.557 2.230 -7.858 1.00 . A A . 13 PHE C 1 1 14 3733 1 1 13 PHE CA C 9.998 0.864 -7.469 1.00 . A A . 13 PHE CA 1 1 14 3734 1 1 13 PHE CB C 8.918 0.439 -8.465 1.00 . A A . 13 PHE CB 1 1 14 3735 1 1 13 PHE CD1 C 7.168 -0.730 -7.098 1.00 . A A . 13 PHE CD1 1 1 14 3736 1 1 13 PHE CD2 C 8.477 -2.027 -8.614 1.00 . A A . 13 PHE CD2 1 1 14 3737 1 1 13 PHE CE1 C 6.480 -1.866 -6.715 1.00 . A A . 13 PHE CE1 1 1 14 3738 1 1 13 PHE CE2 C 7.792 -3.166 -8.235 1.00 . A A . 13 PHE CE2 1 1 14 3739 1 1 13 PHE CG C 8.172 -0.798 -8.051 1.00 . A A . 13 PHE CG 1 1 14 3740 1 1 13 PHE CZ C 6.793 -3.086 -7.282 1.00 . A A . 13 PHE CZ 1 1 14 3741 1 1 13 PHE H H 8.560 1.264 -5.967 1.00 . A A . 13 PHE H 1 1 14 3742 1 1 13 PHE HA H 10.799 0.142 -7.488 1.00 . A A . 13 PHE HA 1 1 14 3743 1 1 13 PHE HB2 H 8.201 1.239 -8.571 1.00 . A A . 13 PHE HB2 1 1 14 3744 1 1 13 PHE HB3 H 9.379 0.245 -9.423 1.00 . A A . 13 PHE HB3 1 1 14 3745 1 1 13 PHE HD1 H 6.924 0.224 -6.652 1.00 . A A . 13 PHE HD1 1 1 14 3746 1 1 13 PHE HD2 H 9.257 -2.091 -9.357 1.00 . A A . 13 PHE HD2 1 1 14 3747 1 1 13 PHE HE1 H 5.701 -1.800 -5.970 1.00 . A A . 13 PHE HE1 1 1 14 3748 1 1 13 PHE HE2 H 8.038 -4.118 -8.680 1.00 . A A . 13 PHE HE2 1 1 14 3749 1 1 13 PHE HZ H 6.257 -3.974 -6.985 1.00 . A A . 13 PHE HZ 1 1 14 3750 1 1 13 PHE N N 9.455 0.892 -6.115 1.00 . A A . 13 PHE N 1 1 14 3751 1 1 13 PHE O O 11.525 2.708 -7.268 1.00 . A A . 13 PHE O 1 1 14 3752 1 1 14 GLY C C 9.346 5.233 -9.100 1.00 . A A . 14 GLY C 1 1 14 3753 1 1 14 GLY CA C 10.389 4.155 -9.312 1.00 . A A . 14 GLY CA 1 1 14 3754 1 1 14 GLY H H 9.173 2.421 -9.293 1.00 . A A . 14 GLY H 1 1 14 3755 1 1 14 GLY HA2 H 11.284 4.423 -8.770 1.00 . A A . 14 GLY HA2 1 1 14 3756 1 1 14 GLY HA3 H 10.622 4.096 -10.366 1.00 . A A . 14 GLY HA3 1 1 14 3757 1 1 14 GLY N N 9.940 2.852 -8.859 1.00 . A A . 14 GLY N 1 1 14 3758 1 1 14 GLY O O 9.394 6.288 -9.735 1.00 . A A . 14 GLY O 1 1 14 3759 1 1 15 LYS C C 7.624 6.678 -6.619 1.00 . A A . 15 LYS C 1 1 14 3760 1 1 15 LYS CA C 7.336 5.927 -7.914 1.00 . A A . 15 LYS CA 1 1 14 3761 1 1 15 LYS CB C 5.989 5.208 -7.811 1.00 . A A . 15 LYS CB 1 1 14 3762 1 1 15 LYS CD C 6.058 2.858 -8.694 1.00 . A A . 15 LYS CD 1 1 14 3763 1 1 15 LYS CE C 6.076 2.015 -9.960 1.00 . A A . 15 LYS CE 1 1 14 3764 1 1 15 LYS CG C 5.690 4.301 -8.992 1.00 . A A . 15 LYS CG 1 1 14 3765 1 1 15 LYS H H 8.412 4.112 -7.735 1.00 . A A . 15 LYS H 1 1 14 3766 1 1 15 LYS HA H 7.294 6.636 -8.727 1.00 . A A . 15 LYS HA 1 1 14 3767 1 1 15 LYS HB2 H 5.983 4.608 -6.912 1.00 . A A . 15 LYS HB2 1 1 14 3768 1 1 15 LYS HB3 H 5.204 5.947 -7.744 1.00 . A A . 15 LYS HB3 1 1 14 3769 1 1 15 LYS HD2 H 7.038 2.830 -8.243 1.00 . A A . 15 LYS HD2 1 1 14 3770 1 1 15 LYS HD3 H 5.332 2.445 -8.007 1.00 . A A . 15 LYS HD3 1 1 14 3771 1 1 15 LYS HE2 H 5.618 2.578 -10.758 1.00 . A A . 15 LYS HE2 1 1 14 3772 1 1 15 LYS HE3 H 7.102 1.796 -10.216 1.00 . A A . 15 LYS HE3 1 1 14 3773 1 1 15 LYS HG2 H 4.636 4.354 -9.217 1.00 . A A . 15 LYS HG2 1 1 14 3774 1 1 15 LYS HG3 H 6.259 4.639 -9.847 1.00 . A A . 15 LYS HG3 1 1 14 3775 1 1 15 LYS HZ1 H 5.555 0.085 -10.567 1.00 . A A . 15 LYS HZ1 1 1 14 3776 1 1 15 LYS HZ2 H 4.313 0.912 -9.771 1.00 . A A . 15 LYS HZ2 1 1 14 3777 1 1 15 LYS HZ3 H 5.610 0.284 -8.888 1.00 . A A . 15 LYS HZ3 1 1 14 3778 1 1 15 LYS N N 8.397 4.971 -8.208 1.00 . A A . 15 LYS N 1 1 14 3779 1 1 15 LYS NZ N 5.337 0.734 -9.784 1.00 . A A . 15 LYS NZ 1 1 14 3780 1 1 15 LYS O O 8.675 7.303 -6.473 1.00 . A A . 15 LYS O 1 1 14 3781 1 1 16 GLY C C 6.801 6.338 -3.230 1.00 . A A . 16 GLY C 1 1 14 3782 1 1 16 GLY CA C 6.859 7.291 -4.408 1.00 . A A . 16 GLY CA 1 1 14 3783 1 1 16 GLY H H 5.869 6.099 -5.852 1.00 . A A . 16 GLY H 1 1 14 3784 1 1 16 GLY HA2 H 7.816 7.790 -4.408 1.00 . A A . 16 GLY HA2 1 1 14 3785 1 1 16 GLY HA3 H 6.079 8.029 -4.298 1.00 . A A . 16 GLY HA3 1 1 14 3786 1 1 16 GLY N N 6.685 6.613 -5.680 1.00 . A A . 16 GLY N 1 1 14 3787 1 1 16 GLY O O 7.748 6.245 -2.450 1.00 . A A . 16 GLY O 1 1 14 3788 1 1 17 GLY C C 4.108 4.655 -1.470 1.00 . A A . 17 GLY C 1 1 14 3789 1 1 17 GLY CA C 5.526 4.689 -2.005 1.00 . A A . 17 GLY CA 1 1 14 3790 1 1 17 GLY H H 4.962 5.743 -3.752 1.00 . A A . 17 GLY H 1 1 14 3791 1 1 17 GLY HA2 H 5.792 3.701 -2.351 1.00 . A A . 17 GLY HA2 1 1 14 3792 1 1 17 GLY HA3 H 6.194 4.972 -1.205 1.00 . A A . 17 GLY HA3 1 1 14 3793 1 1 17 GLY N N 5.684 5.628 -3.100 1.00 . A A . 17 GLY N 1 1 14 3794 1 1 17 GLY O O 3.752 3.771 -0.691 1.00 . A A . 17 GLY O 1 1 15 3795 1 1 1 PTL C1 C 3.104 -2.828 0.018 1.00 . A A . 1 PTL C1 1 1 15 3796 1 1 1 PTL C2 C 2.137 -1.951 0.805 1.00 . A A . 1 PTL C2 1 1 15 3797 1 1 1 PTL C3 C 1.606 -2.719 2.018 1.00 . A A . 1 PTL C3 1 1 15 3798 1 1 1 PTL C4 C 2.547 -2.697 3.211 1.00 . A A . 1 PTL C4 1 1 15 3799 1 1 1 PTL C5 C 2.521 -1.390 3.944 1.00 . A A . 1 PTL C5 1 1 15 3800 1 1 1 PTL H21 H 1.294 -1.677 0.169 1.00 . A A . 1 PTL H21 1 1 15 3801 1 1 1 PTL H22 H 2.663 -1.073 1.148 1.00 . A A . 1 PTL H22 1 1 15 3802 1 1 1 PTL H31 H 0.666 -2.284 2.321 1.00 . A A . 1 PTL H31 1 1 15 3803 1 1 1 PTL H32 H 1.442 -3.748 1.734 1.00 . A A . 1 PTL H32 1 1 15 3804 1 1 1 PTL H41 H 2.260 -3.483 3.894 1.00 . A A . 1 PTL H41 1 1 15 3805 1 1 1 PTL H42 H 3.553 -2.879 2.860 1.00 . A A . 1 PTL H42 1 1 15 3806 1 1 1 PTL H51 H 1.680 -0.792 3.593 1.00 . A A . 1 PTL H51 1 1 15 3807 1 1 1 PTL H52 H 2.414 -1.573 5.013 1.00 . A A . 1 PTL H52 1 1 15 3808 1 1 1 PTL H53 H 3.451 -0.851 3.762 1.00 . A A . 1 PTL H53 1 1 15 3809 1 1 1 PTL O1 O 3.775 -3.692 0.582 1.00 . A A . 1 PTL O1 1 1 15 3810 1 1 2 VAL C C 5.515 -3.187 -1.752 1.00 . A A . 2 VAL C 1 1 15 3811 1 1 2 VAL CA C 4.057 -3.371 -2.155 1.00 . A A . 2 VAL CA 1 1 15 3812 1 1 2 VAL CB C 3.891 -2.965 -3.633 1.00 . A A . 2 VAL CB 1 1 15 3813 1 1 2 VAL CG1 C 4.930 -3.661 -4.498 1.00 . A A . 2 VAL CG1 1 1 15 3814 1 1 2 VAL CG2 C 2.484 -3.282 -4.116 1.00 . A A . 2 VAL CG2 1 1 15 3815 1 1 2 VAL H H 2.611 -1.899 -1.683 1.00 . A A . 2 VAL H 1 1 15 3816 1 1 2 VAL HA H 3.795 -4.414 -2.060 1.00 . A A . 2 VAL HA 1 1 15 3817 1 1 2 VAL HB H 4.044 -1.899 -3.712 1.00 . A A . 2 VAL HB 1 1 15 3818 1 1 2 VAL HG11 H 4.544 -3.776 -5.500 1.00 . A A . 2 VAL HG11 1 1 15 3819 1 1 2 VAL HG12 H 5.832 -3.069 -4.523 1.00 . A A . 2 VAL HG12 1 1 15 3820 1 1 2 VAL HG13 H 5.149 -4.635 -4.084 1.00 . A A . 2 VAL HG13 1 1 15 3821 1 1 2 VAL HG21 H 1.791 -2.559 -3.710 1.00 . A A . 2 VAL HG21 1 1 15 3822 1 1 2 VAL HG22 H 2.457 -3.241 -5.195 1.00 . A A . 2 VAL HG22 1 1 15 3823 1 1 2 VAL HG23 H 2.204 -4.273 -3.787 1.00 . A A . 2 VAL HG23 1 1 15 3824 1 1 2 VAL N N 3.171 -2.602 -1.291 1.00 . A A . 2 VAL N 1 1 15 3825 1 1 2 VAL O O 6.366 -4.022 -2.060 1.00 . A A . 2 VAL O 1 1 15 3826 1 1 3 ALA C C 7.640 -2.844 0.386 1.00 . A A . 3 ALA C 1 1 15 3827 1 1 3 ALA CA C 7.153 -1.797 -0.610 1.00 . A A . 3 ALA CA 1 1 15 3828 1 1 3 ALA CB C 7.217 -0.408 0.009 1.00 . A A . 3 ALA CB 1 1 15 3829 1 1 3 ALA H H 5.077 -1.460 -0.843 1.00 . A A . 3 ALA H 1 1 15 3830 1 1 3 ALA HA H 7.801 -1.809 -1.474 1.00 . A A . 3 ALA HA 1 1 15 3831 1 1 3 ALA HB1 H 7.889 -0.421 0.855 1.00 . A A . 3 ALA HB1 1 1 15 3832 1 1 3 ALA HB2 H 7.576 0.297 -0.726 1.00 . A A . 3 ALA HB2 1 1 15 3833 1 1 3 ALA HB3 H 6.230 -0.116 0.338 1.00 . A A . 3 ALA HB3 1 1 15 3834 1 1 3 ALA N N 5.798 -2.089 -1.059 1.00 . A A . 3 ALA N 1 1 15 3835 1 1 3 ALA O O 8.743 -3.374 0.256 1.00 . A A . 3 ALA O 1 1 15 3836 1 1 4 ARG C C 7.461 -5.476 1.767 1.00 . A A . 4 ARG C 1 1 15 3837 1 1 4 ARG CA C 7.156 -4.122 2.400 1.00 . A A . 4 ARG CA 1 1 15 3838 1 1 4 ARG CB C 6.015 -4.265 3.410 1.00 . A A . 4 ARG CB 1 1 15 3839 1 1 4 ARG CD C 5.501 -6.685 3.847 1.00 . A A . 4 ARG CD 1 1 15 3840 1 1 4 ARG CG C 6.191 -5.434 4.366 1.00 . A A . 4 ARG CG 1 1 15 3841 1 1 4 ARG CZ C 3.597 -8.109 4.471 1.00 . A A . 4 ARG CZ 1 1 15 3842 1 1 4 ARG H H 5.942 -2.683 1.432 1.00 . A A . 4 ARG H 1 1 15 3843 1 1 4 ARG HA H 8.038 -3.770 2.914 1.00 . A A . 4 ARG HA 1 1 15 3844 1 1 4 ARG HB2 H 5.951 -3.358 3.993 1.00 . A A . 4 ARG HB2 1 1 15 3845 1 1 4 ARG HB3 H 5.090 -4.404 2.872 1.00 . A A . 4 ARG HB3 1 1 15 3846 1 1 4 ARG HD2 H 5.019 -6.452 2.911 1.00 . A A . 4 ARG HD2 1 1 15 3847 1 1 4 ARG HD3 H 6.247 -7.451 3.688 1.00 . A A . 4 ARG HD3 1 1 15 3848 1 1 4 ARG HE H 4.502 -6.817 5.692 1.00 . A A . 4 ARG HE 1 1 15 3849 1 1 4 ARG HG2 H 7.246 -5.638 4.480 1.00 . A A . 4 ARG HG2 1 1 15 3850 1 1 4 ARG HG3 H 5.768 -5.170 5.324 1.00 . A A . 4 ARG HG3 1 1 15 3851 1 1 4 ARG HH11 H 4.231 -8.324 2.566 1.00 . A A . 4 ARG HH11 1 1 15 3852 1 1 4 ARG HH12 H 2.888 -9.322 3.019 1.00 . A A . 4 ARG HH12 1 1 15 3853 1 1 4 ARG HH21 H 2.038 -9.207 5.142 1.00 . A A . 4 ARG HH21 1 1 15 3854 1 1 4 ARG HH22 H 2.735 -8.125 6.300 1.00 . A A . 4 ARG HH22 1 1 15 3855 1 1 4 ARG N N 6.809 -3.138 1.381 1.00 . A A . 4 ARG N 1 1 15 3856 1 1 4 ARG NE N 4.500 -7.187 4.785 1.00 . A A . 4 ARG NE 1 1 15 3857 1 1 4 ARG NH1 N 3.569 -8.628 3.251 1.00 . A A . 4 ARG NH1 1 1 15 3858 1 1 4 ARG NH2 N 2.717 -8.514 5.379 1.00 . A A . 4 ARG NH2 1 1 15 3859 1 1 4 ARG O O 8.096 -6.331 2.384 1.00 . A A . 4 ARG O 1 1 15 3860 1 1 5 GLY C C 8.091 -6.737 -1.405 1.00 . A A . 5 GLY C 1 1 15 3861 1 1 5 GLY CA C 7.240 -6.915 -0.163 1.00 . A A . 5 GLY CA 1 1 15 3862 1 1 5 GLY H H 6.507 -4.944 0.090 1.00 . A A . 5 GLY H 1 1 15 3863 1 1 5 GLY HA2 H 7.739 -7.599 0.507 1.00 . A A . 5 GLY HA2 1 1 15 3864 1 1 5 GLY HA3 H 6.289 -7.337 -0.450 1.00 . A A . 5 GLY HA3 1 1 15 3865 1 1 5 GLY N N 7.006 -5.662 0.533 1.00 . A A . 5 GLY N 1 1 15 3866 1 1 5 GLY O O 8.278 -7.678 -2.177 1.00 . A A . 5 GLY O 1 1 15 3867 1 1 6 TRP C C 10.826 -4.768 -2.327 1.00 . A A . 6 TRP C 1 1 15 3868 1 1 6 TRP CA C 9.439 -5.232 -2.759 1.00 . A A . 6 TRP CA 1 1 15 3869 1 1 6 TRP CB C 8.778 -4.160 -3.627 1.00 . A A . 6 TRP CB 1 1 15 3870 1 1 6 TRP CD1 C 9.744 -2.462 -5.286 1.00 . A A . 6 TRP CD1 1 1 15 3871 1 1 6 TRP CD2 C 10.473 -4.559 -5.585 1.00 . A A . 6 TRP CD2 1 1 15 3872 1 1 6 TRP CE2 C 11.074 -3.731 -6.554 1.00 . A A . 6 TRP CE2 1 1 15 3873 1 1 6 TRP CE3 C 10.783 -5.921 -5.578 1.00 . A A . 6 TRP CE3 1 1 15 3874 1 1 6 TRP CG C 9.626 -3.727 -4.785 1.00 . A A . 6 TRP CG 1 1 15 3875 1 1 6 TRP CH2 C 12.250 -5.562 -7.473 1.00 . A A . 6 TRP CH2 1 1 15 3876 1 1 6 TRP CZ2 C 11.965 -4.223 -7.504 1.00 . A A . 6 TRP CZ2 1 1 15 3877 1 1 6 TRP CZ3 C 11.666 -6.408 -6.521 1.00 . A A . 6 TRP CZ3 1 1 15 3878 1 1 6 TRP H H 8.421 -4.819 -0.948 1.00 . A A . 6 TRP H 1 1 15 3879 1 1 6 TRP HA H 9.540 -6.138 -3.336 1.00 . A A . 6 TRP HA 1 1 15 3880 1 1 6 TRP HB2 H 7.850 -4.547 -4.021 1.00 . A A . 6 TRP HB2 1 1 15 3881 1 1 6 TRP HB3 H 8.573 -3.291 -3.019 1.00 . A A . 6 TRP HB3 1 1 15 3882 1 1 6 TRP HD1 H 9.224 -1.602 -4.894 1.00 . A A . 6 TRP HD1 1 1 15 3883 1 1 6 TRP HE1 H 10.863 -1.669 -6.877 1.00 . A A . 6 TRP HE1 1 1 15 3884 1 1 6 TRP HE3 H 10.343 -6.590 -4.853 1.00 . A A . 6 TRP HE3 1 1 15 3885 1 1 6 TRP HH2 H 12.935 -5.985 -8.191 1.00 . A A . 6 TRP HH2 1 1 15 3886 1 1 6 TRP HZ2 H 12.424 -3.583 -8.243 1.00 . A A . 6 TRP HZ2 1 1 15 3887 1 1 6 TRP HZ3 H 11.919 -7.459 -6.532 1.00 . A A . 6 TRP HZ3 1 1 15 3888 1 1 6 TRP N N 8.605 -5.529 -1.600 1.00 . A A . 6 TRP N 1 1 15 3889 1 1 6 TRP NE1 N 10.613 -2.457 -6.350 1.00 . A A . 6 TRP NE1 1 1 15 3890 1 1 6 TRP O O 11.791 -5.530 -2.382 1.00 . A A . 6 TRP O 1 1 15 3891 1 1 7 LYS C C 12.198 -2.753 0.059 1.00 . A A . 7 LYS C 1 1 15 3892 1 1 7 LYS CA C 12.188 -2.949 -1.453 1.00 . A A . 7 LYS CA 1 1 15 3893 1 1 7 LYS CB C 12.448 -1.613 -2.153 1.00 . A A . 7 LYS CB 1 1 15 3894 1 1 7 LYS CD C 13.029 -2.833 -4.270 1.00 . A A . 7 LYS CD 1 1 15 3895 1 1 7 LYS CE C 14.008 -3.995 -4.193 1.00 . A A . 7 LYS CE 1 1 15 3896 1 1 7 LYS CG C 13.417 -1.715 -3.318 1.00 . A A . 7 LYS CG 1 1 15 3897 1 1 7 LYS H H 10.114 -2.956 -1.876 1.00 . A A . 7 LYS H 1 1 15 3898 1 1 7 LYS HA H 12.971 -3.643 -1.719 1.00 . A A . 7 LYS HA 1 1 15 3899 1 1 7 LYS HB2 H 11.509 -1.228 -2.526 1.00 . A A . 7 LYS HB2 1 1 15 3900 1 1 7 LYS HB3 H 12.853 -0.917 -1.434 1.00 . A A . 7 LYS HB3 1 1 15 3901 1 1 7 LYS HD2 H 12.043 -3.190 -4.011 1.00 . A A . 7 LYS HD2 1 1 15 3902 1 1 7 LYS HD3 H 13.021 -2.448 -5.281 1.00 . A A . 7 LYS HD3 1 1 15 3903 1 1 7 LYS HE2 H 14.254 -4.173 -3.157 1.00 . A A . 7 LYS HE2 1 1 15 3904 1 1 7 LYS HE3 H 13.536 -4.874 -4.606 1.00 . A A . 7 LYS HE3 1 1 15 3905 1 1 7 LYS HG2 H 13.416 -0.780 -3.859 1.00 . A A . 7 LYS HG2 1 1 15 3906 1 1 7 LYS HG3 H 14.409 -1.908 -2.933 1.00 . A A . 7 LYS HG3 1 1 15 3907 1 1 7 LYS HZ1 H 15.603 -2.758 -4.733 1.00 . A A . 7 LYS HZ1 1 1 15 3908 1 1 7 LYS HZ2 H 15.084 -3.789 -5.971 1.00 . A A . 7 LYS HZ2 1 1 15 3909 1 1 7 LYS HZ3 H 15.997 -4.403 -4.687 1.00 . A A . 7 LYS HZ3 1 1 15 3910 1 1 7 LYS N N 10.920 -3.514 -1.897 1.00 . A A . 7 LYS N 1 1 15 3911 1 1 7 LYS NZ N 15.260 -3.717 -4.949 1.00 . A A . 7 LYS NZ 1 1 15 3912 1 1 7 LYS O O 12.671 -3.612 0.804 1.00 . A A . 7 LYS O 1 1 15 3913 1 1 8 ARG C C 10.178 -1.087 2.387 1.00 . A A . 8 ARG C 1 1 15 3914 1 1 8 ARG CA C 11.618 -1.310 1.931 1.00 . A A . 8 ARG CA 1 1 15 3915 1 1 8 ARG CB C 12.459 -0.070 2.238 1.00 . A A . 8 ARG CB 1 1 15 3916 1 1 8 ARG CD C 14.593 1.062 1.542 1.00 . A A . 8 ARG CD 1 1 15 3917 1 1 8 ARG CG C 13.940 -0.251 1.946 1.00 . A A . 8 ARG CG 1 1 15 3918 1 1 8 ARG CZ C 16.672 2.284 2.016 1.00 . A A . 8 ARG CZ 1 1 15 3919 1 1 8 ARG H H 11.308 -0.972 -0.135 1.00 . A A . 8 ARG H 1 1 15 3920 1 1 8 ARG HA H 12.026 -2.153 2.468 1.00 . A A . 8 ARG HA 1 1 15 3921 1 1 8 ARG HB2 H 12.096 0.755 1.640 1.00 . A A . 8 ARG HB2 1 1 15 3922 1 1 8 ARG HB3 H 12.348 0.177 3.282 1.00 . A A . 8 ARG HB3 1 1 15 3923 1 1 8 ARG HD2 H 14.867 1.005 0.500 1.00 . A A . 8 ARG HD2 1 1 15 3924 1 1 8 ARG HD3 H 13.881 1.861 1.684 1.00 . A A . 8 ARG HD3 1 1 15 3925 1 1 8 ARG HE H 15.939 0.807 3.136 1.00 . A A . 8 ARG HE 1 1 15 3926 1 1 8 ARG HG2 H 14.429 -0.625 2.834 1.00 . A A . 8 ARG HG2 1 1 15 3927 1 1 8 ARG HG3 H 14.054 -0.963 1.144 1.00 . A A . 8 ARG HG3 1 1 15 3928 1 1 8 ARG HH11 H 15.696 2.881 0.351 1.00 . A A . 8 ARG HH11 1 1 15 3929 1 1 8 ARG HH12 H 17.163 3.735 0.697 1.00 . A A . 8 ARG HH12 1 1 15 3930 1 1 8 ARG HH21 H 18.401 3.189 2.546 1.00 . A A . 8 ARG HH21 1 1 15 3931 1 1 8 ARG HH22 H 17.872 1.923 3.602 1.00 . A A . 8 ARG HH22 1 1 15 3932 1 1 8 ARG N N 11.671 -1.618 0.507 1.00 . A A . 8 ARG N 1 1 15 3933 1 1 8 ARG NE N 15.789 1.344 2.332 1.00 . A A . 8 ARG NE 1 1 15 3934 1 1 8 ARG NH1 N 16.497 3.027 0.932 1.00 . A A . 8 ARG NH1 1 1 15 3935 1 1 8 ARG NH2 N 17.736 2.482 2.784 1.00 . A A . 8 ARG NH2 1 1 15 3936 1 1 8 ARG O O 9.354 -1.999 2.343 1.00 . A A . 8 ARG O 1 1 15 3937 1 1 9 LYS C C 8.008 1.695 2.540 1.00 . A A . 9 LYS C 1 1 15 3938 1 1 9 LYS CA C 8.546 0.478 3.288 1.00 . A A . 9 LYS CA 1 1 15 3939 1 1 9 LYS CB C 8.560 0.757 4.792 1.00 . A A . 9 LYS CB 1 1 15 3940 1 1 9 LYS CD C 9.903 1.624 6.731 1.00 . A A . 9 LYS CD 1 1 15 3941 1 1 9 LYS CE C 8.791 2.335 7.488 1.00 . A A . 9 LYS CE 1 1 15 3942 1 1 9 LYS CG C 9.681 1.684 5.228 1.00 . A A . 9 LYS CG 1 1 15 3943 1 1 9 LYS H H 10.586 0.819 2.836 1.00 . A A . 9 LYS H 1 1 15 3944 1 1 9 LYS HA H 7.900 -0.364 3.092 1.00 . A A . 9 LYS HA 1 1 15 3945 1 1 9 LYS HB2 H 7.619 1.206 5.072 1.00 . A A . 9 LYS HB2 1 1 15 3946 1 1 9 LYS HB3 H 8.672 -0.180 5.319 1.00 . A A . 9 LYS HB3 1 1 15 3947 1 1 9 LYS HD2 H 9.929 0.590 7.040 1.00 . A A . 9 LYS HD2 1 1 15 3948 1 1 9 LYS HD3 H 10.846 2.096 6.966 1.00 . A A . 9 LYS HD3 1 1 15 3949 1 1 9 LYS HE2 H 8.901 3.399 7.345 1.00 . A A . 9 LYS HE2 1 1 15 3950 1 1 9 LYS HE3 H 7.840 2.015 7.088 1.00 . A A . 9 LYS HE3 1 1 15 3951 1 1 9 LYS HG2 H 10.593 1.394 4.729 1.00 . A A . 9 LYS HG2 1 1 15 3952 1 1 9 LYS HG3 H 9.425 2.697 4.952 1.00 . A A . 9 LYS HG3 1 1 15 3953 1 1 9 LYS HZ1 H 8.835 1.004 9.098 1.00 . A A . 9 LYS HZ1 1 1 15 3954 1 1 9 LYS HZ2 H 8.001 2.441 9.417 1.00 . A A . 9 LYS HZ2 1 1 15 3955 1 1 9 LYS HZ3 H 9.691 2.438 9.370 1.00 . A A . 9 LYS HZ3 1 1 15 3956 1 1 9 LYS N N 9.885 0.133 2.825 1.00 . A A . 9 LYS N 1 1 15 3957 1 1 9 LYS NZ N 8.832 2.033 8.945 1.00 . A A . 9 LYS NZ 1 1 15 3958 1 1 9 LYS O O 6.903 1.662 1.998 1.00 . A A . 9 LYS O 1 1 15 3959 1 1 10 CYS C C 8.695 3.902 0.338 1.00 . A A . 10 CYS C 1 1 15 3960 1 1 10 CYS CA C 8.399 3.990 1.832 1.00 . A A . 10 CYS CA 1 1 15 3961 1 1 10 CYS CB C 9.125 5.192 2.438 1.00 . A A . 10 CYS CB 1 1 15 3962 1 1 10 CYS H H 9.667 2.727 2.964 1.00 . A A . 10 CYS H 1 1 15 3963 1 1 10 CYS HA H 7.336 4.114 1.970 1.00 . A A . 10 CYS HA 1 1 15 3964 1 1 10 CYS HB2 H 9.870 4.839 3.135 1.00 . A A . 10 CYS HB2 1 1 15 3965 1 1 10 CYS HB3 H 9.613 5.743 1.648 1.00 . A A . 10 CYS HB3 1 1 15 3966 1 1 10 CYS HG H 6.821 5.826 3.326 1.00 . A A . 10 CYS HG 1 1 15 3967 1 1 10 CYS N N 8.796 2.763 2.514 1.00 . A A . 10 CYS N 1 1 15 3968 1 1 10 CYS O O 7.796 3.952 -0.502 1.00 . A A . 10 CYS O 1 1 15 3969 1 1 10 CYS SG S 8.042 6.337 3.324 1.00 . A A . 10 CYS SG 1 1 15 3970 1 1 11 PRO C C 10.019 2.353 -2.045 1.00 . A A . 11 PRO C 1 1 15 3971 1 1 11 PRO CA C 10.430 3.669 -1.396 1.00 . A A . 11 PRO CA 1 1 15 3972 1 1 11 PRO CB C 11.953 3.761 -1.290 1.00 . A A . 11 PRO CB 1 1 15 3973 1 1 11 PRO CD C 11.109 3.699 0.945 1.00 . A A . 11 PRO CD 1 1 15 3974 1 1 11 PRO CG C 12.267 3.276 0.083 1.00 . A A . 11 PRO CG 1 1 15 3975 1 1 11 PRO HA H 10.058 4.493 -1.989 1.00 . A A . 11 PRO HA 1 1 15 3976 1 1 11 PRO HB2 H 12.408 3.135 -2.044 1.00 . A A . 11 PRO HB2 1 1 15 3977 1 1 11 PRO HB3 H 12.267 4.785 -1.429 1.00 . A A . 11 PRO HB3 1 1 15 3978 1 1 11 PRO HD2 H 10.923 2.962 1.713 1.00 . A A . 11 PRO HD2 1 1 15 3979 1 1 11 PRO HD3 H 11.300 4.665 1.387 1.00 . A A . 11 PRO HD3 1 1 15 3980 1 1 11 PRO HG2 H 12.361 2.202 0.081 1.00 . A A . 11 PRO HG2 1 1 15 3981 1 1 11 PRO HG3 H 13.181 3.734 0.434 1.00 . A A . 11 PRO HG3 1 1 15 3982 1 1 11 PRO N N 9.985 3.767 -0.003 1.00 . A A . 11 PRO N 1 1 15 3983 1 1 11 PRO O O 10.067 1.296 -1.414 1.00 . A A . 11 PRO O 1 1 15 3984 1 1 12 LEU C C 10.057 1.030 -5.289 1.00 . A A . 12 LEU C 1 1 15 3985 1 1 12 LEU CA C 9.197 1.232 -4.045 1.00 . A A . 12 LEU CA 1 1 15 3986 1 1 12 LEU CB C 7.724 1.347 -4.441 1.00 . A A . 12 LEU CB 1 1 15 3987 1 1 12 LEU CD1 C 6.793 -0.829 -3.616 1.00 . A A . 12 LEU CD1 1 1 15 3988 1 1 12 LEU CD2 C 5.722 0.330 -5.557 1.00 . A A . 12 LEU CD2 1 1 15 3989 1 1 12 LEU CG C 7.033 0.042 -4.839 1.00 . A A . 12 LEU CG 1 1 15 3990 1 1 12 LEU H H 9.599 3.291 -3.760 1.00 . A A . 12 LEU H 1 1 15 3991 1 1 12 LEU HA H 9.321 0.379 -3.394 1.00 . A A . 12 LEU HA 1 1 15 3992 1 1 12 LEU HB2 H 7.187 1.763 -3.603 1.00 . A A . 12 LEU HB2 1 1 15 3993 1 1 12 LEU HB3 H 7.661 2.026 -5.280 1.00 . A A . 12 LEU HB3 1 1 15 3994 1 1 12 LEU HD11 H 5.732 -0.906 -3.431 1.00 . A A . 12 LEU HD11 1 1 15 3995 1 1 12 LEU HD12 H 7.277 -0.386 -2.759 1.00 . A A . 12 LEU HD12 1 1 15 3996 1 1 12 LEU HD13 H 7.201 -1.814 -3.790 1.00 . A A . 12 LEU HD13 1 1 15 3997 1 1 12 LEU HD21 H 5.494 -0.482 -6.230 1.00 . A A . 12 LEU HD21 1 1 15 3998 1 1 12 LEU HD22 H 5.814 1.248 -6.118 1.00 . A A . 12 LEU HD22 1 1 15 3999 1 1 12 LEU HD23 H 4.929 0.430 -4.831 1.00 . A A . 12 LEU HD23 1 1 15 4000 1 1 12 LEU HG H 7.674 -0.505 -5.517 1.00 . A A . 12 LEU HG 1 1 15 4001 1 1 12 LEU N N 9.616 2.421 -3.309 1.00 . A A . 12 LEU N 1 1 15 4002 1 1 12 LEU O O 11.281 0.937 -5.201 1.00 . A A . 12 LEU O 1 1 15 4003 1 1 13 PHE C C 10.753 2.082 -8.174 1.00 . A A . 13 PHE C 1 1 15 4004 1 1 13 PHE CA C 10.112 0.779 -7.709 1.00 . A A . 13 PHE CA 1 1 15 4005 1 1 13 PHE CB C 9.152 0.258 -8.780 1.00 . A A . 13 PHE CB 1 1 15 4006 1 1 13 PHE CD1 C 7.705 -1.567 -7.844 1.00 . A A . 13 PHE CD1 1 1 15 4007 1 1 13 PHE CD2 C 9.551 -2.179 -9.226 1.00 . A A . 13 PHE CD2 1 1 15 4008 1 1 13 PHE CE1 C 7.375 -2.900 -7.690 1.00 . A A . 13 PHE CE1 1 1 15 4009 1 1 13 PHE CE2 C 9.224 -3.514 -9.074 1.00 . A A . 13 PHE CE2 1 1 15 4010 1 1 13 PHE CG C 8.795 -1.191 -8.614 1.00 . A A . 13 PHE CG 1 1 15 4011 1 1 13 PHE CZ C 8.136 -3.874 -8.305 1.00 . A A . 13 PHE CZ 1 1 15 4012 1 1 13 PHE H H 8.430 1.048 -6.451 1.00 . A A . 13 PHE H 1 1 15 4013 1 1 13 PHE HA H 10.889 0.046 -7.548 1.00 . A A . 13 PHE HA 1 1 15 4014 1 1 13 PHE HB2 H 8.237 0.830 -8.742 1.00 . A A . 13 PHE HB2 1 1 15 4015 1 1 13 PHE HB3 H 9.607 0.379 -9.751 1.00 . A A . 13 PHE HB3 1 1 15 4016 1 1 13 PHE HD1 H 7.109 -0.804 -7.362 1.00 . A A . 13 PHE HD1 1 1 15 4017 1 1 13 PHE HD2 H 10.403 -1.899 -9.827 1.00 . A A . 13 PHE HD2 1 1 15 4018 1 1 13 PHE HE1 H 6.524 -3.178 -7.086 1.00 . A A . 13 PHE HE1 1 1 15 4019 1 1 13 PHE HE2 H 9.821 -4.274 -9.556 1.00 . A A . 13 PHE HE2 1 1 15 4020 1 1 13 PHE HZ H 7.879 -4.916 -8.185 1.00 . A A . 13 PHE HZ 1 1 15 4021 1 1 13 PHE N N 9.408 0.967 -6.446 1.00 . A A . 13 PHE N 1 1 15 4022 1 1 13 PHE O O 11.863 2.422 -7.765 1.00 . A A . 13 PHE O 1 1 15 4023 1 1 14 GLY C C 9.620 5.227 -9.281 1.00 . A A . 14 GLY C 1 1 15 4024 1 1 14 GLY CA C 10.561 4.067 -9.541 1.00 . A A . 14 GLY CA 1 1 15 4025 1 1 14 GLY H H 9.166 2.489 -9.324 1.00 . A A . 14 GLY H 1 1 15 4026 1 1 14 GLY HA2 H 11.509 4.274 -9.066 1.00 . A A . 14 GLY HA2 1 1 15 4027 1 1 14 GLY HA3 H 10.716 3.976 -10.606 1.00 . A A . 14 GLY HA3 1 1 15 4028 1 1 14 GLY N N 10.045 2.810 -9.033 1.00 . A A . 14 GLY N 1 1 15 4029 1 1 14 GLY O O 9.784 6.309 -9.845 1.00 . A A . 14 GLY O 1 1 15 4030 1 1 15 LYS C C 7.875 6.552 -6.675 1.00 . A A . 15 LYS C 1 1 15 4031 1 1 15 LYS CA C 7.655 6.035 -8.093 1.00 . A A . 15 LYS CA 1 1 15 4032 1 1 15 LYS CB C 6.232 5.490 -8.232 1.00 . A A . 15 LYS CB 1 1 15 4033 1 1 15 LYS CD C 6.359 3.021 -8.683 1.00 . A A . 15 LYS CD 1 1 15 4034 1 1 15 LYS CE C 5.100 2.571 -9.407 1.00 . A A . 15 LYS CE 1 1 15 4035 1 1 15 LYS CG C 6.055 4.097 -7.653 1.00 . A A . 15 LYS CG 1 1 15 4036 1 1 15 LYS H H 8.548 4.118 -8.009 1.00 . A A . 15 LYS H 1 1 15 4037 1 1 15 LYS HA H 7.788 6.852 -8.785 1.00 . A A . 15 LYS HA 1 1 15 4038 1 1 15 LYS HB2 H 5.551 6.157 -7.726 1.00 . A A . 15 LYS HB2 1 1 15 4039 1 1 15 LYS HB3 H 5.974 5.456 -9.282 1.00 . A A . 15 LYS HB3 1 1 15 4040 1 1 15 LYS HD2 H 7.055 3.416 -9.408 1.00 . A A . 15 LYS HD2 1 1 15 4041 1 1 15 LYS HD3 H 6.801 2.171 -8.183 1.00 . A A . 15 LYS HD3 1 1 15 4042 1 1 15 LYS HE2 H 4.730 1.674 -8.933 1.00 . A A . 15 LYS HE2 1 1 15 4043 1 1 15 LYS HE3 H 4.356 3.351 -9.329 1.00 . A A . 15 LYS HE3 1 1 15 4044 1 1 15 LYS HG2 H 6.725 3.977 -6.815 1.00 . A A . 15 LYS HG2 1 1 15 4045 1 1 15 LYS HG3 H 5.033 3.984 -7.318 1.00 . A A . 15 LYS HG3 1 1 15 4046 1 1 15 LYS HZ1 H 4.672 2.799 -11.439 1.00 . A A . 15 LYS HZ1 1 1 15 4047 1 1 15 LYS HZ2 H 5.268 1.269 -11.031 1.00 . A A . 15 LYS HZ2 1 1 15 4048 1 1 15 LYS HZ3 H 6.317 2.595 -11.103 1.00 . A A . 15 LYS HZ3 1 1 15 4049 1 1 15 LYS N N 8.627 5.001 -8.427 1.00 . A A . 15 LYS N 1 1 15 4050 1 1 15 LYS NZ N 5.358 2.288 -10.846 1.00 . A A . 15 LYS NZ 1 1 15 4051 1 1 15 LYS O O 8.893 7.180 -6.384 1.00 . A A . 15 LYS O 1 1 15 4052 1 1 16 GLY C C 6.972 5.578 -3.432 1.00 . A A . 16 GLY C 1 1 15 4053 1 1 16 GLY CA C 7.025 6.728 -4.419 1.00 . A A . 16 GLY CA 1 1 15 4054 1 1 16 GLY H H 6.125 5.779 -6.084 1.00 . A A . 16 GLY H 1 1 15 4055 1 1 16 GLY HA2 H 7.960 7.253 -4.294 1.00 . A A . 16 GLY HA2 1 1 15 4056 1 1 16 GLY HA3 H 6.211 7.406 -4.205 1.00 . A A . 16 GLY HA3 1 1 15 4057 1 1 16 GLY N N 6.915 6.283 -5.796 1.00 . A A . 16 GLY N 1 1 15 4058 1 1 16 GLY O O 7.899 5.381 -2.648 1.00 . A A . 16 GLY O 1 1 15 4059 1 1 17 GLY C C 5.110 4.089 -1.244 1.00 . A A . 17 GLY C 1 1 15 4060 1 1 17 GLY CA C 5.732 3.691 -2.567 1.00 . A A . 17 GLY CA 1 1 15 4061 1 1 17 GLY H H 5.175 5.021 -4.117 1.00 . A A . 17 GLY H 1 1 15 4062 1 1 17 GLY HA2 H 5.107 2.947 -3.037 1.00 . A A . 17 GLY HA2 1 1 15 4063 1 1 17 GLY HA3 H 6.706 3.262 -2.379 1.00 . A A . 17 GLY HA3 1 1 15 4064 1 1 17 GLY N N 5.883 4.817 -3.470 1.00 . A A . 17 GLY N 1 1 15 4065 1 1 17 GLY O O 3.971 3.728 -0.952 1.00 . A A . 17 GLY O 1 1 16 4066 1 1 1 PTL C1 C 2.441 -2.581 -0.213 1.00 . A A . 1 PTL C1 1 1 16 4067 1 1 1 PTL C2 C 1.493 -1.542 0.375 1.00 . A A . 1 PTL C2 1 1 16 4068 1 1 1 PTL C3 C 2.104 -0.145 0.244 1.00 . A A . 1 PTL C3 1 1 16 4069 1 1 1 PTL C4 C 3.277 0.095 1.181 1.00 . A A . 1 PTL C4 1 1 16 4070 1 1 1 PTL C5 C 3.709 1.531 1.210 1.00 . A A . 1 PTL C5 1 1 16 4071 1 1 1 PTL H21 H 1.332 -1.753 1.432 1.00 . A A . 1 PTL H21 1 1 16 4072 1 1 1 PTL H22 H 0.563 -1.569 -0.172 1.00 . A A . 1 PTL H22 1 1 16 4073 1 1 1 PTL H31 H 2.449 -0.009 -0.771 1.00 . A A . 1 PTL H31 1 1 16 4074 1 1 1 PTL H32 H 1.343 0.590 0.459 1.00 . A A . 1 PTL H32 1 1 16 4075 1 1 1 PTL H41 H 2.989 -0.199 2.180 1.00 . A A . 1 PTL H41 1 1 16 4076 1 1 1 PTL H42 H 4.109 -0.511 0.857 1.00 . A A . 1 PTL H42 1 1 16 4077 1 1 1 PTL H51 H 4.393 1.721 0.382 1.00 . A A . 1 PTL H51 1 1 16 4078 1 1 1 PTL H52 H 2.836 2.176 1.115 1.00 . A A . 1 PTL H52 1 1 16 4079 1 1 1 PTL H53 H 4.213 1.741 2.153 1.00 . A A . 1 PTL H53 1 1 16 4080 1 1 1 PTL O1 O 2.880 -3.500 0.481 1.00 . A A . 1 PTL O1 1 1 16 4081 1 1 2 VAL C C 5.085 -3.194 -1.690 1.00 . A A . 2 VAL C 1 1 16 4082 1 1 2 VAL CA C 3.649 -3.360 -2.177 1.00 . A A . 2 VAL CA 1 1 16 4083 1 1 2 VAL CB C 3.611 -3.158 -3.704 1.00 . A A . 2 VAL CB 1 1 16 4084 1 1 2 VAL CG1 C 4.601 -2.084 -4.127 1.00 . A A . 2 VAL CG1 1 1 16 4085 1 1 2 VAL CG2 C 3.897 -4.469 -4.421 1.00 . A A . 2 VAL CG2 1 1 16 4086 1 1 2 VAL H H 2.372 -1.682 -1.998 1.00 . A A . 2 VAL H 1 1 16 4087 1 1 2 VAL HA H 3.319 -4.365 -1.960 1.00 . A A . 2 VAL HA 1 1 16 4088 1 1 2 VAL HB H 2.620 -2.830 -3.979 1.00 . A A . 2 VAL HB 1 1 16 4089 1 1 2 VAL HG11 H 4.429 -1.821 -5.160 1.00 . A A . 2 VAL HG11 1 1 16 4090 1 1 2 VAL HG12 H 4.472 -1.209 -3.505 1.00 . A A . 2 VAL HG12 1 1 16 4091 1 1 2 VAL HG13 H 5.609 -2.458 -4.014 1.00 . A A . 2 VAL HG13 1 1 16 4092 1 1 2 VAL HG21 H 3.247 -4.559 -5.279 1.00 . A A . 2 VAL HG21 1 1 16 4093 1 1 2 VAL HG22 H 4.927 -4.483 -4.746 1.00 . A A . 2 VAL HG22 1 1 16 4094 1 1 2 VAL HG23 H 3.720 -5.294 -3.747 1.00 . A A . 2 VAL HG23 1 1 16 4095 1 1 2 VAL N N 2.753 -2.433 -1.497 1.00 . A A . 2 VAL N 1 1 16 4096 1 1 2 VAL O O 5.920 -4.080 -1.873 1.00 . A A . 2 VAL O 1 1 16 4097 1 1 3 ALA C C 7.212 -2.929 0.300 1.00 . A A . 3 ALA C 1 1 16 4098 1 1 3 ALA CA C 6.698 -1.773 -0.551 1.00 . A A . 3 ALA CA 1 1 16 4099 1 1 3 ALA CB C 6.690 -0.483 0.257 1.00 . A A . 3 ALA CB 1 1 16 4100 1 1 3 ALA H H 4.657 -1.386 -0.952 1.00 . A A . 3 ALA H 1 1 16 4101 1 1 3 ALA HA H 7.361 -1.636 -1.394 1.00 . A A . 3 ALA HA 1 1 16 4102 1 1 3 ALA HB1 H 7.665 -0.020 0.206 1.00 . A A . 3 ALA HB1 1 1 16 4103 1 1 3 ALA HB2 H 5.950 0.191 -0.149 1.00 . A A . 3 ALA HB2 1 1 16 4104 1 1 3 ALA HB3 H 6.450 -0.705 1.286 1.00 . A A . 3 ALA HB3 1 1 16 4105 1 1 3 ALA N N 5.364 -2.053 -1.068 1.00 . A A . 3 ALA N 1 1 16 4106 1 1 3 ALA O O 8.296 -3.459 0.053 1.00 . A A . 3 ALA O 1 1 16 4107 1 1 4 ARG C C 7.097 -5.677 1.396 1.00 . A A . 4 ARG C 1 1 16 4108 1 1 4 ARG CA C 6.808 -4.407 2.190 1.00 . A A . 4 ARG CA 1 1 16 4109 1 1 4 ARG CB C 5.698 -4.671 3.209 1.00 . A A . 4 ARG CB 1 1 16 4110 1 1 4 ARG CD C 3.290 -5.321 3.522 1.00 . A A . 4 ARG CD 1 1 16 4111 1 1 4 ARG CG C 4.524 -5.452 2.642 1.00 . A A . 4 ARG CG 1 1 16 4112 1 1 4 ARG CZ C 2.585 -7.666 3.752 1.00 . A A . 4 ARG CZ 1 1 16 4113 1 1 4 ARG H H 5.578 -2.852 1.448 1.00 . A A . 4 ARG H 1 1 16 4114 1 1 4 ARG HA H 7.704 -4.112 2.715 1.00 . A A . 4 ARG HA 1 1 16 4115 1 1 4 ARG HB2 H 6.110 -5.232 4.035 1.00 . A A . 4 ARG HB2 1 1 16 4116 1 1 4 ARG HB3 H 5.329 -3.725 3.575 1.00 . A A . 4 ARG HB3 1 1 16 4117 1 1 4 ARG HD2 H 3.602 -5.306 4.555 1.00 . A A . 4 ARG HD2 1 1 16 4118 1 1 4 ARG HD3 H 2.791 -4.395 3.283 1.00 . A A . 4 ARG HD3 1 1 16 4119 1 1 4 ARG HE H 1.522 -6.239 2.852 1.00 . A A . 4 ARG HE 1 1 16 4120 1 1 4 ARG HG2 H 4.291 -5.073 1.658 1.00 . A A . 4 ARG HG2 1 1 16 4121 1 1 4 ARG HG3 H 4.797 -6.495 2.572 1.00 . A A . 4 ARG HG3 1 1 16 4122 1 1 4 ARG HH11 H 4.385 -7.236 4.561 1.00 . A A . 4 ARG HH11 1 1 16 4123 1 1 4 ARG HH12 H 3.876 -8.885 4.716 1.00 . A A . 4 ARG HH12 1 1 16 4124 1 1 4 ARG HH21 H 1.860 -9.550 3.855 1.00 . A A . 4 ARG HH21 1 1 16 4125 1 1 4 ARG HH22 H 0.841 -8.406 3.050 1.00 . A A . 4 ARG HH22 1 1 16 4126 1 1 4 ARG N N 6.429 -3.314 1.302 1.00 . A A . 4 ARG N 1 1 16 4127 1 1 4 ARG NE N 2.357 -6.428 3.325 1.00 . A A . 4 ARG NE 1 1 16 4128 1 1 4 ARG NH1 N 3.708 -7.953 4.395 1.00 . A A . 4 ARG NH1 1 1 16 4129 1 1 4 ARG NH2 N 1.687 -8.619 3.534 1.00 . A A . 4 ARG NH2 1 1 16 4130 1 1 4 ARG O O 7.822 -6.558 1.857 1.00 . A A . 4 ARG O 1 1 16 4131 1 1 5 GLY C C 7.696 -6.662 -1.777 1.00 . A A . 5 GLY C 1 1 16 4132 1 1 5 GLY CA C 6.732 -6.931 -0.639 1.00 . A A . 5 GLY CA 1 1 16 4133 1 1 5 GLY H H 5.956 -5.032 -0.117 1.00 . A A . 5 GLY H 1 1 16 4134 1 1 5 GLY HA2 H 7.123 -7.733 -0.031 1.00 . A A . 5 GLY HA2 1 1 16 4135 1 1 5 GLY HA3 H 5.782 -7.237 -1.053 1.00 . A A . 5 GLY HA3 1 1 16 4136 1 1 5 GLY N N 6.524 -5.765 0.200 1.00 . A A . 5 GLY N 1 1 16 4137 1 1 5 GLY O O 7.950 -7.538 -2.605 1.00 . A A . 5 GLY O 1 1 16 4138 1 1 6 TRP C C 10.539 -4.724 -2.274 1.00 . A A . 6 TRP C 1 1 16 4139 1 1 6 TRP CA C 9.177 -5.068 -2.866 1.00 . A A . 6 TRP CA 1 1 16 4140 1 1 6 TRP CB C 8.635 -3.877 -3.658 1.00 . A A . 6 TRP CB 1 1 16 4141 1 1 6 TRP CD1 C 9.819 -2.003 -4.945 1.00 . A A . 6 TRP CD1 1 1 16 4142 1 1 6 TRP CD2 C 10.540 -4.063 -5.448 1.00 . A A . 6 TRP CD2 1 1 16 4143 1 1 6 TRP CE2 C 11.265 -3.132 -6.218 1.00 . A A . 6 TRP CE2 1 1 16 4144 1 1 6 TRP CE3 C 10.822 -5.423 -5.595 1.00 . A A . 6 TRP CE3 1 1 16 4145 1 1 6 TRP CG C 9.620 -3.320 -4.640 1.00 . A A . 6 TRP CG 1 1 16 4146 1 1 6 TRP CH2 C 12.507 -4.860 -7.242 1.00 . A A . 6 TRP CH2 1 1 16 4147 1 1 6 TRP CZ2 C 12.252 -3.521 -7.120 1.00 . A A . 6 TRP CZ2 1 1 16 4148 1 1 6 TRP CZ3 C 11.801 -5.808 -6.491 1.00 . A A . 6 TRP CZ3 1 1 16 4149 1 1 6 TRP H H 7.995 -4.795 -1.131 1.00 . A A . 6 TRP H 1 1 16 4150 1 1 6 TRP HA H 9.289 -5.911 -3.533 1.00 . A A . 6 TRP HA 1 1 16 4151 1 1 6 TRP HB2 H 7.757 -4.185 -4.205 1.00 . A A . 6 TRP HB2 1 1 16 4152 1 1 6 TRP HB3 H 8.367 -3.088 -2.970 1.00 . A A . 6 TRP HB3 1 1 16 4153 1 1 6 TRP HD1 H 9.272 -1.186 -4.499 1.00 . A A . 6 TRP HD1 1 1 16 4154 1 1 6 TRP HE1 H 11.130 -1.040 -6.274 1.00 . A A . 6 TRP HE1 1 1 16 4155 1 1 6 TRP HE3 H 10.289 -6.169 -5.023 1.00 . A A . 6 TRP HE3 1 1 16 4156 1 1 6 TRP HH2 H 13.263 -5.206 -7.930 1.00 . A A . 6 TRP HH2 1 1 16 4157 1 1 6 TRP HZ2 H 12.806 -2.803 -7.706 1.00 . A A . 6 TRP HZ2 1 1 16 4158 1 1 6 TRP HZ3 H 12.033 -6.855 -6.617 1.00 . A A . 6 TRP HZ3 1 1 16 4159 1 1 6 TRP N N 8.235 -5.450 -1.820 1.00 . A A . 6 TRP N 1 1 16 4160 1 1 6 TRP NE1 N 10.806 -1.883 -5.893 1.00 . A A . 6 TRP NE1 1 1 16 4161 1 1 6 TRP O O 11.463 -5.537 -2.300 1.00 . A A . 6 TRP O 1 1 16 4162 1 1 7 LYS C C 11.721 -2.763 0.346 1.00 . A A . 7 LYS C 1 1 16 4163 1 1 7 LYS CA C 11.907 -3.061 -1.139 1.00 . A A . 7 LYS CA 1 1 16 4164 1 1 7 LYS CB C 12.421 -1.813 -1.860 1.00 . A A . 7 LYS CB 1 1 16 4165 1 1 7 LYS CD C 14.011 -3.184 -3.239 1.00 . A A . 7 LYS CD 1 1 16 4166 1 1 7 LYS CE C 14.745 -3.266 -4.569 1.00 . A A . 7 LYS CE 1 1 16 4167 1 1 7 LYS CG C 12.954 -2.092 -3.255 1.00 . A A . 7 LYS CG 1 1 16 4168 1 1 7 LYS H H 9.886 -2.909 -1.748 1.00 . A A . 7 LYS H 1 1 16 4169 1 1 7 LYS HA H 12.633 -3.853 -1.247 1.00 . A A . 7 LYS HA 1 1 16 4170 1 1 7 LYS HB2 H 11.614 -1.100 -1.942 1.00 . A A . 7 LYS HB2 1 1 16 4171 1 1 7 LYS HB3 H 13.217 -1.376 -1.273 1.00 . A A . 7 LYS HB3 1 1 16 4172 1 1 7 LYS HD2 H 14.726 -2.969 -2.459 1.00 . A A . 7 LYS HD2 1 1 16 4173 1 1 7 LYS HD3 H 13.533 -4.132 -3.042 1.00 . A A . 7 LYS HD3 1 1 16 4174 1 1 7 LYS HE2 H 14.376 -4.119 -5.117 1.00 . A A . 7 LYS HE2 1 1 16 4175 1 1 7 LYS HE3 H 14.549 -2.364 -5.130 1.00 . A A . 7 LYS HE3 1 1 16 4176 1 1 7 LYS HG2 H 12.136 -2.406 -3.886 1.00 . A A . 7 LYS HG2 1 1 16 4177 1 1 7 LYS HG3 H 13.390 -1.186 -3.651 1.00 . A A . 7 LYS HG3 1 1 16 4178 1 1 7 LYS HZ1 H 16.426 -4.284 -3.859 1.00 . A A . 7 LYS HZ1 1 1 16 4179 1 1 7 LYS HZ2 H 16.589 -2.600 -3.846 1.00 . A A . 7 LYS HZ2 1 1 16 4180 1 1 7 LYS HZ3 H 16.692 -3.448 -5.306 1.00 . A A . 7 LYS HZ3 1 1 16 4181 1 1 7 LYS N N 10.658 -3.513 -1.739 1.00 . A A . 7 LYS N 1 1 16 4182 1 1 7 LYS NZ N 16.216 -3.410 -4.382 1.00 . A A . 7 LYS NZ 1 1 16 4183 1 1 7 LYS O O 11.853 -3.651 1.188 1.00 . A A . 7 LYS O 1 1 16 4184 1 1 8 ARG C C 9.809 -0.512 2.233 1.00 . A A . 8 ARG C 1 1 16 4185 1 1 8 ARG CA C 11.207 -1.095 2.041 1.00 . A A . 8 ARG CA 1 1 16 4186 1 1 8 ARG CB C 12.262 -0.063 2.449 1.00 . A A . 8 ARG CB 1 1 16 4187 1 1 8 ARG CD C 14.708 0.513 2.449 1.00 . A A . 8 ARG CD 1 1 16 4188 1 1 8 ARG CG C 13.681 -0.608 2.441 1.00 . A A . 8 ARG CG 1 1 16 4189 1 1 8 ARG CZ C 16.335 1.509 3.998 1.00 . A A . 8 ARG CZ 1 1 16 4190 1 1 8 ARG H H 11.321 -0.846 -0.057 1.00 . A A . 8 ARG H 1 1 16 4191 1 1 8 ARG HA H 11.309 -1.968 2.667 1.00 . A A . 8 ARG HA 1 1 16 4192 1 1 8 ARG HB2 H 12.215 0.771 1.765 1.00 . A A . 8 ARG HB2 1 1 16 4193 1 1 8 ARG HB3 H 12.039 0.285 3.446 1.00 . A A . 8 ARG HB3 1 1 16 4194 1 1 8 ARG HD2 H 15.392 0.363 1.627 1.00 . A A . 8 ARG HD2 1 1 16 4195 1 1 8 ARG HD3 H 14.194 1.455 2.322 1.00 . A A . 8 ARG HD3 1 1 16 4196 1 1 8 ARG HE H 15.321 -0.173 4.338 1.00 . A A . 8 ARG HE 1 1 16 4197 1 1 8 ARG HG2 H 13.827 -1.221 3.318 1.00 . A A . 8 ARG HG2 1 1 16 4198 1 1 8 ARG HG3 H 13.821 -1.207 1.553 1.00 . A A . 8 ARG HG3 1 1 16 4199 1 1 8 ARG HH11 H 16.062 2.534 2.278 1.00 . A A . 8 ARG HH11 1 1 16 4200 1 1 8 ARG HH12 H 17.207 3.225 3.380 1.00 . A A . 8 ARG HH12 1 1 16 4201 1 1 8 ARG HH21 H 17.642 2.196 5.380 1.00 . A A . 8 ARG HH21 1 1 16 4202 1 1 8 ARG HH22 H 16.827 0.727 5.796 1.00 . A A . 8 ARG HH22 1 1 16 4203 1 1 8 ARG N N 11.412 -1.509 0.659 1.00 . A A . 8 ARG N 1 1 16 4204 1 1 8 ARG NE N 15.467 0.551 3.695 1.00 . A A . 8 ARG NE 1 1 16 4205 1 1 8 ARG NH1 N 16.553 2.504 3.148 1.00 . A A . 8 ARG NH1 1 1 16 4206 1 1 8 ARG NH2 N 16.988 1.475 5.153 1.00 . A A . 8 ARG NH2 1 1 16 4207 1 1 8 ARG O O 8.808 -1.213 2.088 1.00 . A A . 8 ARG O 1 1 16 4208 1 1 9 LYS C C 8.345 2.660 1.848 1.00 . A A . 9 LYS C 1 1 16 4209 1 1 9 LYS CA C 8.478 1.453 2.771 1.00 . A A . 9 LYS CA 1 1 16 4210 1 1 9 LYS CB C 8.349 1.896 4.230 1.00 . A A . 9 LYS CB 1 1 16 4211 1 1 9 LYS CD C 9.460 0.829 6.214 1.00 . A A . 9 LYS CD 1 1 16 4212 1 1 9 LYS CE C 9.340 -0.233 7.296 1.00 . A A . 9 LYS CE 1 1 16 4213 1 1 9 LYS CG C 8.318 0.742 5.217 1.00 . A A . 9 LYS CG 1 1 16 4214 1 1 9 LYS H H 10.584 1.280 2.661 1.00 . A A . 9 LYS H 1 1 16 4215 1 1 9 LYS HA H 7.687 0.753 2.545 1.00 . A A . 9 LYS HA 1 1 16 4216 1 1 9 LYS HB2 H 9.186 2.531 4.476 1.00 . A A . 9 LYS HB2 1 1 16 4217 1 1 9 LYS HB3 H 7.434 2.462 4.343 1.00 . A A . 9 LYS HB3 1 1 16 4218 1 1 9 LYS HD2 H 10.395 0.690 5.691 1.00 . A A . 9 LYS HD2 1 1 16 4219 1 1 9 LYS HD3 H 9.448 1.806 6.677 1.00 . A A . 9 LYS HD3 1 1 16 4220 1 1 9 LYS HE2 H 8.882 0.209 8.166 1.00 . A A . 9 LYS HE2 1 1 16 4221 1 1 9 LYS HE3 H 8.715 -1.033 6.927 1.00 . A A . 9 LYS HE3 1 1 16 4222 1 1 9 LYS HG2 H 7.382 0.765 5.755 1.00 . A A . 9 LYS HG2 1 1 16 4223 1 1 9 LYS HG3 H 8.399 -0.188 4.671 1.00 . A A . 9 LYS HG3 1 1 16 4224 1 1 9 LYS HZ1 H 11.408 -0.410 7.052 1.00 . A A . 9 LYS HZ1 1 1 16 4225 1 1 9 LYS HZ2 H 10.657 -1.827 7.589 1.00 . A A . 9 LYS HZ2 1 1 16 4226 1 1 9 LYS HZ3 H 10.892 -0.538 8.659 1.00 . A A . 9 LYS HZ3 1 1 16 4227 1 1 9 LYS N N 9.751 0.774 2.560 1.00 . A A . 9 LYS N 1 1 16 4228 1 1 9 LYS NZ N 10.668 -0.791 7.676 1.00 . A A . 9 LYS NZ 1 1 16 4229 1 1 9 LYS O O 7.298 2.871 1.234 1.00 . A A . 9 LYS O 1 1 16 4230 1 1 10 CYS C C 10.049 4.332 -0.448 1.00 . A A . 10 CYS C 1 1 16 4231 1 1 10 CYS CA C 9.413 4.633 0.906 1.00 . A A . 10 CYS CA 1 1 16 4232 1 1 10 CYS CB C 10.163 5.775 1.592 1.00 . A A . 10 CYS CB 1 1 16 4233 1 1 10 CYS H H 10.215 3.227 2.268 1.00 . A A . 10 CYS H 1 1 16 4234 1 1 10 CYS HA H 8.387 4.930 0.749 1.00 . A A . 10 CYS HA 1 1 16 4235 1 1 10 CYS HB2 H 10.710 5.382 2.436 1.00 . A A . 10 CYS HB2 1 1 16 4236 1 1 10 CYS HB3 H 10.859 6.211 0.891 1.00 . A A . 10 CYS HB3 1 1 16 4237 1 1 10 CYS HG H 8.569 7.718 1.156 1.00 . A A . 10 CYS HG 1 1 16 4238 1 1 10 CYS N N 9.411 3.447 1.754 1.00 . A A . 10 CYS N 1 1 16 4239 1 1 10 CYS O O 9.396 4.373 -1.491 1.00 . A A . 10 CYS O 1 1 16 4240 1 1 10 CYS SG S 9.092 7.099 2.203 1.00 . A A . 10 CYS SG 1 1 16 4241 1 1 11 PRO C C 11.698 2.373 -2.257 1.00 . A A . 11 PRO C 1 1 16 4242 1 1 11 PRO CA C 12.107 3.710 -1.650 1.00 . A A . 11 PRO CA 1 1 16 4243 1 1 11 PRO CB C 13.558 3.656 -1.165 1.00 . A A . 11 PRO CB 1 1 16 4244 1 1 11 PRO CD C 12.195 3.956 0.775 1.00 . A A . 11 PRO CD 1 1 16 4245 1 1 11 PRO CG C 13.462 3.314 0.281 1.00 . A A . 11 PRO CG 1 1 16 4246 1 1 11 PRO HA H 12.003 4.488 -2.392 1.00 . A A . 11 PRO HA 1 1 16 4247 1 1 11 PRO HB2 H 14.096 2.898 -1.717 1.00 . A A . 11 PRO HB2 1 1 16 4248 1 1 11 PRO HB3 H 14.028 4.617 -1.313 1.00 . A A . 11 PRO HB3 1 1 16 4249 1 1 11 PRO HD2 H 11.731 3.342 1.533 1.00 . A A . 11 PRO HD2 1 1 16 4250 1 1 11 PRO HD3 H 12.397 4.945 1.158 1.00 . A A . 11 PRO HD3 1 1 16 4251 1 1 11 PRO HG2 H 13.412 2.243 0.403 1.00 . A A . 11 PRO HG2 1 1 16 4252 1 1 11 PRO HG3 H 14.314 3.714 0.810 1.00 . A A . 11 PRO HG3 1 1 16 4253 1 1 11 PRO N N 11.354 4.023 -0.433 1.00 . A A . 11 PRO N 1 1 16 4254 1 1 11 PRO O O 12.390 1.367 -2.092 1.00 . A A . 11 PRO O 1 1 16 4255 1 1 12 LEU C C 10.683 0.968 -4.979 1.00 . A A . 12 LEU C 1 1 16 4256 1 1 12 LEU CA C 10.070 1.154 -3.595 1.00 . A A . 12 LEU CA 1 1 16 4257 1 1 12 LEU CB C 8.545 1.203 -3.702 1.00 . A A . 12 LEU CB 1 1 16 4258 1 1 12 LEU CD1 C 7.791 1.982 -1.442 1.00 . A A . 12 LEU CD1 1 1 16 4259 1 1 12 LEU CD2 C 6.339 0.448 -2.781 1.00 . A A . 12 LEU CD2 1 1 16 4260 1 1 12 LEU CG C 7.770 0.832 -2.437 1.00 . A A . 12 LEU CG 1 1 16 4261 1 1 12 LEU H H 10.064 3.201 -3.058 1.00 . A A . 12 LEU H 1 1 16 4262 1 1 12 LEU HA H 10.352 0.316 -2.974 1.00 . A A . 12 LEU HA 1 1 16 4263 1 1 12 LEU HB2 H 8.265 2.208 -3.978 1.00 . A A . 12 LEU HB2 1 1 16 4264 1 1 12 LEU HB3 H 8.247 0.521 -4.486 1.00 . A A . 12 LEU HB3 1 1 16 4265 1 1 12 LEU HD11 H 8.711 1.953 -0.878 1.00 . A A . 12 LEU HD11 1 1 16 4266 1 1 12 LEU HD12 H 6.952 1.890 -0.769 1.00 . A A . 12 LEU HD12 1 1 16 4267 1 1 12 LEU HD13 H 7.724 2.920 -1.974 1.00 . A A . 12 LEU HD13 1 1 16 4268 1 1 12 LEU HD21 H 6.071 0.876 -3.736 1.00 . A A . 12 LEU HD21 1 1 16 4269 1 1 12 LEU HD22 H 5.673 0.824 -2.019 1.00 . A A . 12 LEU HD22 1 1 16 4270 1 1 12 LEU HD23 H 6.257 -0.628 -2.832 1.00 . A A . 12 LEU HD23 1 1 16 4271 1 1 12 LEU HG H 8.244 -0.021 -1.970 1.00 . A A . 12 LEU HG 1 1 16 4272 1 1 12 LEU N N 10.571 2.369 -2.961 1.00 . A A . 12 LEU N 1 1 16 4273 1 1 12 LEU O O 11.826 0.531 -5.109 1.00 . A A . 12 LEU O 1 1 16 4274 1 1 13 PHE C C 10.955 2.499 -7.890 1.00 . A A . 13 PHE C 1 1 16 4275 1 1 13 PHE CA C 10.383 1.178 -7.386 1.00 . A A . 13 PHE CA 1 1 16 4276 1 1 13 PHE CB C 9.240 0.723 -8.295 1.00 . A A . 13 PHE CB 1 1 16 4277 1 1 13 PHE CD1 C 7.734 -0.895 -7.107 1.00 . A A . 13 PHE CD1 1 1 16 4278 1 1 13 PHE CD2 C 9.346 -1.761 -8.635 1.00 . A A . 13 PHE CD2 1 1 16 4279 1 1 13 PHE CE1 C 7.293 -2.176 -6.839 1.00 . A A . 13 PHE CE1 1 1 16 4280 1 1 13 PHE CE2 C 8.909 -3.046 -8.372 1.00 . A A . 13 PHE CE2 1 1 16 4281 1 1 13 PHE CG C 8.764 -0.672 -8.007 1.00 . A A . 13 PHE CG 1 1 16 4282 1 1 13 PHE CZ C 7.881 -3.253 -7.472 1.00 . A A . 13 PHE CZ 1 1 16 4283 1 1 13 PHE H H 9.013 1.648 -5.842 1.00 . A A . 13 PHE H 1 1 16 4284 1 1 13 PHE HA H 11.163 0.433 -7.401 1.00 . A A . 13 PHE HA 1 1 16 4285 1 1 13 PHE HB2 H 8.401 1.392 -8.170 1.00 . A A . 13 PHE HB2 1 1 16 4286 1 1 13 PHE HB3 H 9.572 0.755 -9.322 1.00 . A A . 13 PHE HB3 1 1 16 4287 1 1 13 PHE HD1 H 7.272 -0.052 -6.611 1.00 . A A . 13 PHE HD1 1 1 16 4288 1 1 13 PHE HD2 H 10.150 -1.600 -9.339 1.00 . A A . 13 PHE HD2 1 1 16 4289 1 1 13 PHE HE1 H 6.489 -2.336 -6.135 1.00 . A A . 13 PHE HE1 1 1 16 4290 1 1 13 PHE HE2 H 9.371 -3.886 -8.867 1.00 . A A . 13 PHE HE2 1 1 16 4291 1 1 13 PHE HZ H 7.538 -4.257 -7.265 1.00 . A A . 13 PHE HZ 1 1 16 4292 1 1 13 PHE N N 9.915 1.306 -6.010 1.00 . A A . 13 PHE N 1 1 16 4293 1 1 13 PHE O O 12.077 2.873 -7.552 1.00 . A A . 13 PHE O 1 1 16 4294 1 1 14 GLY C C 9.668 5.608 -8.915 1.00 . A A . 14 GLY C 1 1 16 4295 1 1 14 GLY CA C 10.619 4.474 -9.244 1.00 . A A . 14 GLY CA 1 1 16 4296 1 1 14 GLY H H 9.287 2.856 -8.941 1.00 . A A . 14 GLY H 1 1 16 4297 1 1 14 GLY HA2 H 11.592 4.704 -8.838 1.00 . A A . 14 GLY HA2 1 1 16 4298 1 1 14 GLY HA3 H 10.698 4.388 -10.318 1.00 . A A . 14 GLY HA3 1 1 16 4299 1 1 14 GLY N N 10.174 3.203 -8.705 1.00 . A A . 14 GLY N 1 1 16 4300 1 1 14 GLY O O 9.849 6.735 -9.378 1.00 . A A . 14 GLY O 1 1 16 4301 1 1 15 LYS C C 7.840 6.702 -6.256 1.00 . A A . 15 LYS C 1 1 16 4302 1 1 15 LYS CA C 7.667 6.314 -7.722 1.00 . A A . 15 LYS CA 1 1 16 4303 1 1 15 LYS CB C 6.250 5.787 -7.957 1.00 . A A . 15 LYS CB 1 1 16 4304 1 1 15 LYS CD C 6.354 3.311 -8.365 1.00 . A A . 15 LYS CD 1 1 16 4305 1 1 15 LYS CE C 5.129 2.864 -9.148 1.00 . A A . 15 LYS CE 1 1 16 4306 1 1 15 LYS CG C 6.009 4.407 -7.370 1.00 . A A . 15 LYS CG 1 1 16 4307 1 1 15 LYS H H 8.559 4.395 -7.777 1.00 . A A . 15 LYS H 1 1 16 4308 1 1 15 LYS HA H 7.823 7.190 -8.334 1.00 . A A . 15 LYS HA 1 1 16 4309 1 1 15 LYS HB2 H 5.545 6.473 -7.511 1.00 . A A . 15 LYS HB2 1 1 16 4310 1 1 15 LYS HB3 H 6.069 5.739 -9.021 1.00 . A A . 15 LYS HB3 1 1 16 4311 1 1 15 LYS HD2 H 7.093 3.684 -9.058 1.00 . A A . 15 LYS HD2 1 1 16 4312 1 1 15 LYS HD3 H 6.756 2.463 -7.828 1.00 . A A . 15 LYS HD3 1 1 16 4313 1 1 15 LYS HE2 H 4.300 2.759 -8.466 1.00 . A A . 15 LYS HE2 1 1 16 4314 1 1 15 LYS HE3 H 4.894 3.617 -9.886 1.00 . A A . 15 LYS HE3 1 1 16 4315 1 1 15 LYS HG2 H 6.624 4.286 -6.492 1.00 . A A . 15 LYS HG2 1 1 16 4316 1 1 15 LYS HG3 H 4.967 4.318 -7.097 1.00 . A A . 15 LYS HG3 1 1 16 4317 1 1 15 LYS HZ1 H 6.185 1.084 -9.434 1.00 . A A . 15 LYS HZ1 1 1 16 4318 1 1 15 LYS HZ2 H 5.521 1.723 -10.853 1.00 . A A . 15 LYS HZ2 1 1 16 4319 1 1 15 LYS HZ3 H 4.524 0.950 -9.727 1.00 . A A . 15 LYS HZ3 1 1 16 4320 1 1 15 LYS N N 8.651 5.312 -8.113 1.00 . A A . 15 LYS N 1 1 16 4321 1 1 15 LYS NZ N 5.356 1.564 -9.839 1.00 . A A . 15 LYS NZ 1 1 16 4322 1 1 15 LYS O O 8.915 7.133 -5.841 1.00 . A A . 15 LYS O 1 1 16 4323 1 1 16 GLY C C 6.519 5.699 -3.175 1.00 . A A . 16 GLY C 1 1 16 4324 1 1 16 GLY CA C 6.829 6.884 -4.068 1.00 . A A . 16 GLY CA 1 1 16 4325 1 1 16 GLY H H 5.942 6.200 -5.864 1.00 . A A . 16 GLY H 1 1 16 4326 1 1 16 GLY HA2 H 7.818 7.248 -3.834 1.00 . A A . 16 GLY HA2 1 1 16 4327 1 1 16 GLY HA3 H 6.112 7.668 -3.868 1.00 . A A . 16 GLY HA3 1 1 16 4328 1 1 16 GLY N N 6.773 6.547 -5.478 1.00 . A A . 16 GLY N 1 1 16 4329 1 1 16 GLY O O 7.161 5.505 -2.144 1.00 . A A . 16 GLY O 1 1 16 4330 1 1 17 GLY C C 4.916 4.079 -1.329 1.00 . A A . 17 GLY C 1 1 16 4331 1 1 17 GLY CA C 5.151 3.743 -2.788 1.00 . A A . 17 GLY CA 1 1 16 4332 1 1 17 GLY H H 5.052 5.107 -4.403 1.00 . A A . 17 GLY H 1 1 16 4333 1 1 17 GLY HA2 H 4.247 3.323 -3.200 1.00 . A A . 17 GLY HA2 1 1 16 4334 1 1 17 GLY HA3 H 5.940 3.007 -2.852 1.00 . A A . 17 GLY HA3 1 1 16 4335 1 1 17 GLY N N 5.530 4.904 -3.572 1.00 . A A . 17 GLY N 1 1 16 4336 1 1 17 GLY O O 4.435 5.165 -1.005 1.00 . A A . 17 GLY O 1 1 17 4337 1 1 1 PTL C1 C 3.040 -1.163 -0.755 1.00 . A A . 1 PTL C1 1 1 17 4338 1 1 1 PTL C2 C 2.492 0.213 -0.393 1.00 . A A . 1 PTL C2 1 1 17 4339 1 1 1 PTL C3 C 3.623 1.244 -0.402 1.00 . A A . 1 PTL C3 1 1 17 4340 1 1 1 PTL C4 C 3.236 2.576 0.224 1.00 . A A . 1 PTL C4 1 1 17 4341 1 1 1 PTL C5 C 3.744 2.723 1.628 1.00 . A A . 1 PTL C5 1 1 17 4342 1 1 1 PTL H21 H 2.005 0.194 0.581 1.00 . A A . 1 PTL H21 1 1 17 4343 1 1 1 PTL H22 H 1.753 0.497 -1.127 1.00 . A A . 1 PTL H22 1 1 17 4344 1 1 1 PTL H31 H 4.462 0.844 0.146 1.00 . A A . 1 PTL H31 1 1 17 4345 1 1 1 PTL H32 H 3.921 1.425 -1.423 1.00 . A A . 1 PTL H32 1 1 17 4346 1 1 1 PTL H41 H 3.645 3.373 -0.378 1.00 . A A . 1 PTL H41 1 1 17 4347 1 1 1 PTL H42 H 2.159 2.652 0.235 1.00 . A A . 1 PTL H42 1 1 17 4348 1 1 1 PTL H51 H 3.331 1.929 2.249 1.00 . A A . 1 PTL H51 1 1 17 4349 1 1 1 PTL H52 H 3.439 3.691 2.025 1.00 . A A . 1 PTL H52 1 1 17 4350 1 1 1 PTL H53 H 4.833 2.657 1.629 1.00 . A A . 1 PTL H53 1 1 17 4351 1 1 1 PTL O1 O 2.888 -2.121 0.003 1.00 . A A . 1 PTL O1 1 1 17 4352 1 1 2 VAL C C 5.664 -2.706 -1.839 1.00 . A A . 2 VAL C 1 1 17 4353 1 1 2 VAL CA C 4.251 -2.514 -2.378 1.00 . A A . 2 VAL CA 1 1 17 4354 1 1 2 VAL CB C 4.286 -2.585 -3.916 1.00 . A A . 2 VAL CB 1 1 17 4355 1 1 2 VAL CG1 C 4.980 -3.857 -4.377 1.00 . A A . 2 VAL CG1 1 1 17 4356 1 1 2 VAL CG2 C 2.878 -2.500 -4.486 1.00 . A A . 2 VAL CG2 1 1 17 4357 1 1 2 VAL H H 3.768 -0.456 -2.477 1.00 . A A . 2 VAL H 1 1 17 4358 1 1 2 VAL HA H 3.626 -3.317 -2.015 1.00 . A A . 2 VAL HA 1 1 17 4359 1 1 2 VAL HB H 4.851 -1.740 -4.283 1.00 . A A . 2 VAL HB 1 1 17 4360 1 1 2 VAL HG11 H 4.928 -4.599 -3.593 1.00 . A A . 2 VAL HG11 1 1 17 4361 1 1 2 VAL HG12 H 4.492 -4.234 -5.263 1.00 . A A . 2 VAL HG12 1 1 17 4362 1 1 2 VAL HG13 H 6.016 -3.642 -4.599 1.00 . A A . 2 VAL HG13 1 1 17 4363 1 1 2 VAL HG21 H 2.290 -1.814 -3.894 1.00 . A A . 2 VAL HG21 1 1 17 4364 1 1 2 VAL HG22 H 2.923 -2.149 -5.505 1.00 . A A . 2 VAL HG22 1 1 17 4365 1 1 2 VAL HG23 H 2.420 -3.478 -4.462 1.00 . A A . 2 VAL HG23 1 1 17 4366 1 1 2 VAL N N 3.679 -1.254 -1.917 1.00 . A A . 2 VAL N 1 1 17 4367 1 1 2 VAL O O 6.169 -3.826 -1.775 1.00 . A A . 2 VAL O 1 1 17 4368 1 1 3 ALA C C 7.757 -2.659 0.226 1.00 . A A . 3 ALA C 1 1 17 4369 1 1 3 ALA CA C 7.653 -1.651 -0.914 1.00 . A A . 3 ALA CA 1 1 17 4370 1 1 3 ALA CB C 8.080 -0.270 -0.441 1.00 . A A . 3 ALA CB 1 1 17 4371 1 1 3 ALA H H 5.843 -0.740 -1.525 1.00 . A A . 3 ALA H 1 1 17 4372 1 1 3 ALA HA H 8.317 -1.954 -1.711 1.00 . A A . 3 ALA HA 1 1 17 4373 1 1 3 ALA HB1 H 8.596 0.240 -1.241 1.00 . A A . 3 ALA HB1 1 1 17 4374 1 1 3 ALA HB2 H 7.208 0.298 -0.154 1.00 . A A . 3 ALA HB2 1 1 17 4375 1 1 3 ALA HB3 H 8.740 -0.368 0.408 1.00 . A A . 3 ALA HB3 1 1 17 4376 1 1 3 ALA N N 6.298 -1.604 -1.450 1.00 . A A . 3 ALA N 1 1 17 4377 1 1 3 ALA O O 8.782 -3.319 0.391 1.00 . A A . 3 ALA O 1 1 17 4378 1 1 4 ARG C C 7.109 -5.091 1.703 1.00 . A A . 4 ARG C 1 1 17 4379 1 1 4 ARG CA C 6.663 -3.698 2.135 1.00 . A A . 4 ARG CA 1 1 17 4380 1 1 4 ARG CB C 5.257 -3.764 2.735 1.00 . A A . 4 ARG CB 1 1 17 4381 1 1 4 ARG CD C 6.186 -4.458 4.964 1.00 . A A . 4 ARG CD 1 1 17 4382 1 1 4 ARG CG C 5.137 -4.733 3.899 1.00 . A A . 4 ARG CG 1 1 17 4383 1 1 4 ARG CZ C 4.868 -3.393 6.745 1.00 . A A . 4 ARG CZ 1 1 17 4384 1 1 4 ARG H H 5.901 -2.219 0.827 1.00 . A A . 4 ARG H 1 1 17 4385 1 1 4 ARG HA H 7.347 -3.329 2.884 1.00 . A A . 4 ARG HA 1 1 17 4386 1 1 4 ARG HB2 H 4.980 -2.780 3.085 1.00 . A A . 4 ARG HB2 1 1 17 4387 1 1 4 ARG HB3 H 4.565 -4.070 1.965 1.00 . A A . 4 ARG HB3 1 1 17 4388 1 1 4 ARG HD2 H 6.926 -5.244 4.934 1.00 . A A . 4 ARG HD2 1 1 17 4389 1 1 4 ARG HD3 H 6.658 -3.511 4.749 1.00 . A A . 4 ARG HD3 1 1 17 4390 1 1 4 ARG HE H 5.776 -5.162 6.902 1.00 . A A . 4 ARG HE 1 1 17 4391 1 1 4 ARG HG2 H 4.156 -4.632 4.341 1.00 . A A . 4 ARG HG2 1 1 17 4392 1 1 4 ARG HG3 H 5.265 -5.740 3.531 1.00 . A A . 4 ARG HG3 1 1 17 4393 1 1 4 ARG HH11 H 4.991 -2.334 5.030 1.00 . A A . 4 ARG HH11 1 1 17 4394 1 1 4 ARG HH12 H 4.065 -1.595 6.293 1.00 . A A . 4 ARG HH12 1 1 17 4395 1 1 4 ARG HH21 H 3.820 -2.655 8.309 1.00 . A A . 4 ARG HH21 1 1 17 4396 1 1 4 ARG HH22 H 4.559 -4.200 8.574 1.00 . A A . 4 ARG HH22 1 1 17 4397 1 1 4 ARG N N 6.690 -2.772 1.009 1.00 . A A . 4 ARG N 1 1 17 4398 1 1 4 ARG NE N 5.606 -4.406 6.304 1.00 . A A . 4 ARG NE 1 1 17 4399 1 1 4 ARG NH1 N 4.621 -2.354 5.959 1.00 . A A . 4 ARG NH1 1 1 17 4400 1 1 4 ARG NH2 N 4.375 -3.418 7.977 1.00 . A A . 4 ARG NH2 1 1 17 4401 1 1 4 ARG O O 7.721 -5.827 2.477 1.00 . A A . 4 ARG O 1 1 17 4402 1 1 5 GLY C C 8.051 -6.660 -1.285 1.00 . A A . 5 GLY C 1 1 17 4403 1 1 5 GLY CA C 7.174 -6.753 -0.053 1.00 . A A . 5 GLY CA 1 1 17 4404 1 1 5 GLY H H 6.309 -4.821 -0.113 1.00 . A A . 5 GLY H 1 1 17 4405 1 1 5 GLY HA2 H 7.707 -7.291 0.717 1.00 . A A . 5 GLY HA2 1 1 17 4406 1 1 5 GLY HA3 H 6.277 -7.300 -0.304 1.00 . A A . 5 GLY HA3 1 1 17 4407 1 1 5 GLY N N 6.797 -5.449 0.460 1.00 . A A . 5 GLY N 1 1 17 4408 1 1 5 GLY O O 8.244 -7.648 -1.993 1.00 . A A . 5 GLY O 1 1 17 4409 1 1 6 TRP C C 10.830 -4.782 -2.265 1.00 . A A . 6 TRP C 1 1 17 4410 1 1 6 TRP CA C 9.445 -5.253 -2.698 1.00 . A A . 6 TRP CA 1 1 17 4411 1 1 6 TRP CB C 8.816 -4.227 -3.642 1.00 . A A . 6 TRP CB 1 1 17 4412 1 1 6 TRP CD1 C 9.805 -2.457 -5.210 1.00 . A A . 6 TRP CD1 1 1 17 4413 1 1 6 TRP CD2 C 10.813 -4.453 -5.323 1.00 . A A . 6 TRP CD2 1 1 17 4414 1 1 6 TRP CE2 C 11.447 -3.578 -6.226 1.00 . A A . 6 TRP CE2 1 1 17 4415 1 1 6 TRP CE3 C 11.279 -5.767 -5.219 1.00 . A A . 6 TRP CE3 1 1 17 4416 1 1 6 TRP CG C 9.767 -3.716 -4.682 1.00 . A A . 6 TRP CG 1 1 17 4417 1 1 6 TRP CH2 C 12.954 -5.269 -6.898 1.00 . A A . 6 TRP CH2 1 1 17 4418 1 1 6 TRP CZ2 C 12.520 -3.977 -7.020 1.00 . A A . 6 TRP CZ2 1 1 17 4419 1 1 6 TRP CZ3 C 12.343 -6.161 -6.008 1.00 . A A . 6 TRP CZ3 1 1 17 4420 1 1 6 TRP H H 8.393 -4.722 -0.939 1.00 . A A . 6 TRP H 1 1 17 4421 1 1 6 TRP HA H 9.545 -6.194 -3.218 1.00 . A A . 6 TRP HA 1 1 17 4422 1 1 6 TRP HB2 H 7.978 -4.680 -4.149 1.00 . A A . 6 TRP HB2 1 1 17 4423 1 1 6 TRP HB3 H 8.469 -3.383 -3.064 1.00 . A A . 6 TRP HB3 1 1 17 4424 1 1 6 TRP HD1 H 9.134 -1.660 -4.930 1.00 . A A . 6 TRP HD1 1 1 17 4425 1 1 6 TRP HE1 H 11.041 -1.565 -6.655 1.00 . A A . 6 TRP HE1 1 1 17 4426 1 1 6 TRP HE3 H 10.821 -6.470 -4.539 1.00 . A A . 6 TRP HE3 1 1 17 4427 1 1 6 TRP HH2 H 13.782 -5.620 -7.495 1.00 . A A . 6 TRP HH2 1 1 17 4428 1 1 6 TRP HZ2 H 13.001 -3.300 -7.711 1.00 . A A . 6 TRP HZ2 1 1 17 4429 1 1 6 TRP HZ3 H 12.716 -7.172 -5.942 1.00 . A A . 6 TRP HZ3 1 1 17 4430 1 1 6 TRP N N 8.583 -5.470 -1.541 1.00 . A A . 6 TRP N 1 1 17 4431 1 1 6 TRP NE1 N 10.813 -2.367 -6.139 1.00 . A A . 6 TRP NE1 1 1 17 4432 1 1 6 TRP O O 11.785 -5.558 -2.254 1.00 . A A . 6 TRP O 1 1 17 4433 1 1 7 LYS C C 12.314 -2.959 0.048 1.00 . A A . 7 LYS C 1 1 17 4434 1 1 7 LYS CA C 12.198 -2.931 -1.473 1.00 . A A . 7 LYS CA 1 1 17 4435 1 1 7 LYS CB C 12.330 -1.493 -1.978 1.00 . A A . 7 LYS CB 1 1 17 4436 1 1 7 LYS CD C 14.250 -2.159 -3.454 1.00 . A A . 7 LYS CD 1 1 17 4437 1 1 7 LYS CE C 15.081 -1.707 -4.646 1.00 . A A . 7 LYS CE 1 1 17 4438 1 1 7 LYS CG C 12.943 -1.389 -3.364 1.00 . A A . 7 LYS CG 1 1 17 4439 1 1 7 LYS H H 10.133 -2.937 -1.938 1.00 . A A . 7 LYS H 1 1 17 4440 1 1 7 LYS HA H 12.995 -3.526 -1.893 1.00 . A A . 7 LYS HA 1 1 17 4441 1 1 7 LYS HB2 H 11.348 -1.042 -2.007 1.00 . A A . 7 LYS HB2 1 1 17 4442 1 1 7 LYS HB3 H 12.951 -0.938 -1.291 1.00 . A A . 7 LYS HB3 1 1 17 4443 1 1 7 LYS HD2 H 14.819 -1.994 -2.551 1.00 . A A . 7 LYS HD2 1 1 17 4444 1 1 7 LYS HD3 H 14.032 -3.212 -3.558 1.00 . A A . 7 LYS HD3 1 1 17 4445 1 1 7 LYS HE2 H 14.422 -1.287 -5.389 1.00 . A A . 7 LYS HE2 1 1 17 4446 1 1 7 LYS HE3 H 15.780 -0.952 -4.315 1.00 . A A . 7 LYS HE3 1 1 17 4447 1 1 7 LYS HG2 H 12.250 -1.794 -4.087 1.00 . A A . 7 LYS HG2 1 1 17 4448 1 1 7 LYS HG3 H 13.132 -0.349 -3.588 1.00 . A A . 7 LYS HG3 1 1 17 4449 1 1 7 LYS HZ1 H 15.787 -3.673 -4.638 1.00 . A A . 7 LYS HZ1 1 1 17 4450 1 1 7 LYS HZ2 H 16.838 -2.570 -5.375 1.00 . A A . 7 LYS HZ2 1 1 17 4451 1 1 7 LYS HZ3 H 15.441 -3.076 -6.182 1.00 . A A . 7 LYS HZ3 1 1 17 4452 1 1 7 LYS N N 10.931 -3.506 -1.909 1.00 . A A . 7 LYS N 1 1 17 4453 1 1 7 LYS NZ N 15.840 -2.836 -5.253 1.00 . A A . 7 LYS NZ 1 1 17 4454 1 1 7 LYS O O 12.779 -3.941 0.627 1.00 . A A . 7 LYS O 1 1 17 4455 1 1 8 ARG C C 10.558 -1.502 2.723 1.00 . A A . 8 ARG C 1 1 17 4456 1 1 8 ARG CA C 11.943 -1.778 2.143 1.00 . A A . 8 ARG CA 1 1 17 4457 1 1 8 ARG CB C 12.913 -0.672 2.563 1.00 . A A . 8 ARG CB 1 1 17 4458 1 1 8 ARG CD C 14.185 1.396 1.917 1.00 . A A . 8 ARG CD 1 1 17 4459 1 1 8 ARG CG C 13.127 0.388 1.496 1.00 . A A . 8 ARG CG 1 1 17 4460 1 1 8 ARG CZ C 13.741 2.156 4.212 1.00 . A A . 8 ARG CZ 1 1 17 4461 1 1 8 ARG H H 11.526 -1.126 0.173 1.00 . A A . 8 ARG H 1 1 17 4462 1 1 8 ARG HA H 12.299 -2.722 2.526 1.00 . A A . 8 ARG HA 1 1 17 4463 1 1 8 ARG HB2 H 12.527 -0.188 3.449 1.00 . A A . 8 ARG HB2 1 1 17 4464 1 1 8 ARG HB3 H 13.869 -1.117 2.794 1.00 . A A . 8 ARG HB3 1 1 17 4465 1 1 8 ARG HD2 H 15.021 0.864 2.346 1.00 . A A . 8 ARG HD2 1 1 17 4466 1 1 8 ARG HD3 H 14.515 1.938 1.042 1.00 . A A . 8 ARG HD3 1 1 17 4467 1 1 8 ARG HE H 13.263 3.171 2.563 1.00 . A A . 8 ARG HE 1 1 17 4468 1 1 8 ARG HG2 H 13.446 -0.091 0.582 1.00 . A A . 8 ARG HG2 1 1 17 4469 1 1 8 ARG HG3 H 12.196 0.908 1.325 1.00 . A A . 8 ARG HG3 1 1 17 4470 1 1 8 ARG HH11 H 14.662 0.363 4.073 1.00 . A A . 8 ARG HH11 1 1 17 4471 1 1 8 ARG HH12 H 14.343 0.910 5.686 1.00 . A A . 8 ARG HH12 1 1 17 4472 1 1 8 ARG HH21 H 13.305 2.923 6.031 1.00 . A A . 8 ARG HH21 1 1 17 4473 1 1 8 ARG HH22 H 12.838 3.902 4.682 1.00 . A A . 8 ARG HH22 1 1 17 4474 1 1 8 ARG N N 11.887 -1.876 0.689 1.00 . A A . 8 ARG N 1 1 17 4475 1 1 8 ARG NE N 13.675 2.349 2.899 1.00 . A A . 8 ARG NE 1 1 17 4476 1 1 8 ARG NH1 N 14.294 1.052 4.696 1.00 . A A . 8 ARG NH1 1 1 17 4477 1 1 8 ARG NH2 N 13.254 3.069 5.043 1.00 . A A . 8 ARG NH2 1 1 17 4478 1 1 8 ARG O O 9.786 -2.426 2.980 1.00 . A A . 8 ARG O 1 1 17 4479 1 1 9 LYS C C 8.338 1.291 2.644 1.00 . A A . 9 LYS C 1 1 17 4480 1 1 9 LYS CA C 8.962 0.173 3.476 1.00 . A A . 9 LYS CA 1 1 17 4481 1 1 9 LYS CB C 9.120 0.631 4.927 1.00 . A A . 9 LYS CB 1 1 17 4482 1 1 9 LYS CD C 9.025 -1.679 5.909 1.00 . A A . 9 LYS CD 1 1 17 4483 1 1 9 LYS CE C 9.863 -2.804 6.497 1.00 . A A . 9 LYS CE 1 1 17 4484 1 1 9 LYS CG C 9.819 -0.386 5.813 1.00 . A A . 9 LYS CG 1 1 17 4485 1 1 9 LYS H H 10.910 0.466 2.702 1.00 . A A . 9 LYS H 1 1 17 4486 1 1 9 LYS HA H 8.309 -0.686 3.447 1.00 . A A . 9 LYS HA 1 1 17 4487 1 1 9 LYS HB2 H 9.695 1.545 4.943 1.00 . A A . 9 LYS HB2 1 1 17 4488 1 1 9 LYS HB3 H 8.141 0.825 5.340 1.00 . A A . 9 LYS HB3 1 1 17 4489 1 1 9 LYS HD2 H 8.165 -1.518 6.542 1.00 . A A . 9 LYS HD2 1 1 17 4490 1 1 9 LYS HD3 H 8.699 -1.965 4.919 1.00 . A A . 9 LYS HD3 1 1 17 4491 1 1 9 LYS HE2 H 10.507 -2.395 7.260 1.00 . A A . 9 LYS HE2 1 1 17 4492 1 1 9 LYS HE3 H 9.202 -3.536 6.937 1.00 . A A . 9 LYS HE3 1 1 17 4493 1 1 9 LYS HG2 H 10.792 -0.604 5.398 1.00 . A A . 9 LYS HG2 1 1 17 4494 1 1 9 LYS HG3 H 9.932 0.030 6.804 1.00 . A A . 9 LYS HG3 1 1 17 4495 1 1 9 LYS HZ1 H 11.702 -3.223 5.597 1.00 . A A . 9 LYS HZ1 1 1 17 4496 1 1 9 LYS HZ2 H 10.405 -3.167 4.513 1.00 . A A . 9 LYS HZ2 1 1 17 4497 1 1 9 LYS HZ3 H 10.599 -4.503 5.530 1.00 . A A . 9 LYS HZ3 1 1 17 4498 1 1 9 LYS N N 10.252 -0.225 2.927 1.00 . A A . 9 LYS N 1 1 17 4499 1 1 9 LYS NZ N 10.701 -3.471 5.461 1.00 . A A . 9 LYS NZ 1 1 17 4500 1 1 9 LYS O O 7.359 1.073 1.930 1.00 . A A . 9 LYS O 1 1 17 4501 1 1 10 CYS C C 8.708 3.490 0.509 1.00 . A A . 10 CYS C 1 1 17 4502 1 1 10 CYS CA C 8.414 3.636 1.998 1.00 . A A . 10 CYS CA 1 1 17 4503 1 1 10 CYS CB C 9.043 4.925 2.531 1.00 . A A . 10 CYS CB 1 1 17 4504 1 1 10 CYS H H 9.690 2.595 3.328 1.00 . A A . 10 CYS H 1 1 17 4505 1 1 10 CYS HA H 7.345 3.682 2.139 1.00 . A A . 10 CYS HA 1 1 17 4506 1 1 10 CYS HB2 H 9.915 4.675 3.116 1.00 . A A . 10 CYS HB2 1 1 17 4507 1 1 10 CYS HB3 H 9.343 5.542 1.696 1.00 . A A . 10 CYS HB3 1 1 17 4508 1 1 10 CYS HG H 7.358 5.085 4.437 1.00 . A A . 10 CYS HG 1 1 17 4509 1 1 10 CYS N N 8.913 2.484 2.741 1.00 . A A . 10 CYS N 1 1 17 4510 1 1 10 CYS O O 7.809 3.311 -0.312 1.00 . A A . 10 CYS O 1 1 17 4511 1 1 10 CYS SG S 7.941 5.906 3.576 1.00 . A A . 10 CYS SG 1 1 17 4512 1 1 11 PRO C C 10.276 2.034 -1.784 1.00 . A A . 11 PRO C 1 1 17 4513 1 1 11 PRO CA C 10.441 3.449 -1.242 1.00 . A A . 11 PRO CA 1 1 17 4514 1 1 11 PRO CB C 11.924 3.827 -1.178 1.00 . A A . 11 PRO CB 1 1 17 4515 1 1 11 PRO CD C 11.124 3.781 1.075 1.00 . A A . 11 PRO CD 1 1 17 4516 1 1 11 PRO CG C 12.332 3.515 0.220 1.00 . A A . 11 PRO CG 1 1 17 4517 1 1 11 PRO HA H 9.919 4.143 -1.886 1.00 . A A . 11 PRO HA 1 1 17 4518 1 1 11 PRO HB2 H 12.479 3.239 -1.893 1.00 . A A . 11 PRO HB2 1 1 17 4519 1 1 11 PRO HB3 H 12.041 4.877 -1.398 1.00 . A A . 11 PRO HB3 1 1 17 4520 1 1 11 PRO HD2 H 11.083 3.082 1.898 1.00 . A A . 11 PRO HD2 1 1 17 4521 1 1 11 PRO HD3 H 11.136 4.797 1.440 1.00 . A A . 11 PRO HD3 1 1 17 4522 1 1 11 PRO HG2 H 12.623 2.478 0.295 1.00 . A A . 11 PRO HG2 1 1 17 4523 1 1 11 PRO HG3 H 13.149 4.157 0.516 1.00 . A A . 11 PRO HG3 1 1 17 4524 1 1 11 PRO N N 9.998 3.569 0.150 1.00 . A A . 11 PRO N 1 1 17 4525 1 1 11 PRO O O 10.655 1.060 -1.132 1.00 . A A . 11 PRO O 1 1 17 4526 1 1 12 LEU C C 10.229 0.540 -4.945 1.00 . A A . 12 LEU C 1 1 17 4527 1 1 12 LEU CA C 9.493 0.627 -3.611 1.00 . A A . 12 LEU CA 1 1 17 4528 1 1 12 LEU CB C 7.998 0.383 -3.822 1.00 . A A . 12 LEU CB 1 1 17 4529 1 1 12 LEU CD1 C 5.918 1.302 -4.875 1.00 . A A . 12 LEU CD1 1 1 17 4530 1 1 12 LEU CD2 C 6.714 2.211 -2.686 1.00 . A A . 12 LEU CD2 1 1 17 4531 1 1 12 LEU CG C 7.136 1.630 -4.027 1.00 . A A . 12 LEU CG 1 1 17 4532 1 1 12 LEU H H 9.428 2.737 -3.452 1.00 . A A . 12 LEU H 1 1 17 4533 1 1 12 LEU HA H 9.884 -0.131 -2.949 1.00 . A A . 12 LEU HA 1 1 17 4534 1 1 12 LEU HB2 H 7.887 -0.243 -4.695 1.00 . A A . 12 LEU HB2 1 1 17 4535 1 1 12 LEU HB3 H 7.623 -0.141 -2.954 1.00 . A A . 12 LEU HB3 1 1 17 4536 1 1 12 LEU HD11 H 5.080 1.899 -4.547 1.00 . A A . 12 LEU HD11 1 1 17 4537 1 1 12 LEU HD12 H 5.676 0.255 -4.771 1.00 . A A . 12 LEU HD12 1 1 17 4538 1 1 12 LEU HD13 H 6.131 1.520 -5.912 1.00 . A A . 12 LEU HD13 1 1 17 4539 1 1 12 LEU HD21 H 7.226 3.149 -2.524 1.00 . A A . 12 LEU HD21 1 1 17 4540 1 1 12 LEU HD22 H 6.971 1.521 -1.897 1.00 . A A . 12 LEU HD22 1 1 17 4541 1 1 12 LEU HD23 H 5.647 2.377 -2.686 1.00 . A A . 12 LEU HD23 1 1 17 4542 1 1 12 LEU HG H 7.716 2.377 -4.550 1.00 . A A . 12 LEU HG 1 1 17 4543 1 1 12 LEU N N 9.709 1.925 -2.980 1.00 . A A . 12 LEU N 1 1 17 4544 1 1 12 LEU O O 11.384 0.118 -5.003 1.00 . A A . 12 LEU O 1 1 17 4545 1 1 13 PHE C C 10.642 2.300 -7.753 1.00 . A A . 13 PHE C 1 1 17 4546 1 1 13 PHE CA C 10.142 0.916 -7.347 1.00 . A A . 13 PHE CA 1 1 17 4547 1 1 13 PHE CB C 9.120 0.412 -8.369 1.00 . A A . 13 PHE CB 1 1 17 4548 1 1 13 PHE CD1 C 7.470 -0.999 -7.109 1.00 . A A . 13 PHE CD1 1 1 17 4549 1 1 13 PHE CD2 C 9.007 -2.087 -8.571 1.00 . A A . 13 PHE CD2 1 1 17 4550 1 1 13 PHE CE1 C 6.916 -2.221 -6.777 1.00 . A A . 13 PHE CE1 1 1 17 4551 1 1 13 PHE CE2 C 8.457 -3.312 -8.244 1.00 . A A . 13 PHE CE2 1 1 17 4552 1 1 13 PHE CG C 8.520 -0.918 -8.009 1.00 . A A . 13 PHE CG 1 1 17 4553 1 1 13 PHE CZ C 7.410 -3.379 -7.344 1.00 . A A . 13 PHE CZ 1 1 17 4554 1 1 13 PHE H H 8.635 1.274 -5.903 1.00 . A A . 13 PHE H 1 1 17 4555 1 1 13 PHE HA H 10.979 0.237 -7.323 1.00 . A A . 13 PHE HA 1 1 17 4556 1 1 13 PHE HB2 H 8.315 1.127 -8.446 1.00 . A A . 13 PHE HB2 1 1 17 4557 1 1 13 PHE HB3 H 9.601 0.312 -9.330 1.00 . A A . 13 PHE HB3 1 1 17 4558 1 1 13 PHE HD1 H 7.083 -0.093 -6.664 1.00 . A A . 13 PHE HD1 1 1 17 4559 1 1 13 PHE HD2 H 9.825 -2.037 -9.275 1.00 . A A . 13 PHE HD2 1 1 17 4560 1 1 13 PHE HE1 H 6.098 -2.269 -6.073 1.00 . A A . 13 PHE HE1 1 1 17 4561 1 1 13 PHE HE2 H 8.845 -4.215 -8.688 1.00 . A A . 13 PHE HE2 1 1 17 4562 1 1 13 PHE HZ H 6.979 -4.334 -7.086 1.00 . A A . 13 PHE HZ 1 1 17 4563 1 1 13 PHE N N 9.552 0.946 -6.014 1.00 . A A . 13 PHE N 1 1 17 4564 1 1 13 PHE O O 11.535 2.860 -7.118 1.00 . A A . 13 PHE O 1 1 17 4565 1 1 14 GLY C C 9.290 5.119 -9.385 1.00 . A A . 14 GLY C 1 1 17 4566 1 1 14 GLY CA C 10.458 4.158 -9.289 1.00 . A A . 14 GLY CA 1 1 17 4567 1 1 14 GLY H H 9.351 2.353 -9.283 1.00 . A A . 14 GLY H 1 1 17 4568 1 1 14 GLY HA2 H 11.192 4.565 -8.610 1.00 . A A . 14 GLY HA2 1 1 17 4569 1 1 14 GLY HA3 H 10.905 4.055 -10.267 1.00 . A A . 14 GLY HA3 1 1 17 4570 1 1 14 GLY N N 10.059 2.846 -8.816 1.00 . A A . 14 GLY N 1 1 17 4571 1 1 14 GLY O O 9.213 5.926 -10.312 1.00 . A A . 14 GLY O 1 1 17 4572 1 1 15 LYS C C 7.160 6.725 -7.119 1.00 . A A . 15 LYS C 1 1 17 4573 1 1 15 LYS CA C 7.204 5.903 -8.403 1.00 . A A . 15 LYS CA 1 1 17 4574 1 1 15 LYS CB C 5.925 5.073 -8.535 1.00 . A A . 15 LYS CB 1 1 17 4575 1 1 15 LYS CD C 6.265 2.607 -8.873 1.00 . A A . 15 LYS CD 1 1 17 4576 1 1 15 LYS CE C 5.090 2.438 -9.823 1.00 . A A . 15 LYS CE 1 1 17 4577 1 1 15 LYS CG C 6.011 3.713 -7.863 1.00 . A A . 15 LYS CG 1 1 17 4578 1 1 15 LYS H H 8.492 4.372 -7.712 1.00 . A A . 15 LYS H 1 1 17 4579 1 1 15 LYS HA H 7.275 6.576 -9.245 1.00 . A A . 15 LYS HA 1 1 17 4580 1 1 15 LYS HB2 H 5.107 5.620 -8.091 1.00 . A A . 15 LYS HB2 1 1 17 4581 1 1 15 LYS HB3 H 5.716 4.920 -9.585 1.00 . A A . 15 LYS HB3 1 1 17 4582 1 1 15 LYS HD2 H 7.146 2.853 -9.448 1.00 . A A . 15 LYS HD2 1 1 17 4583 1 1 15 LYS HD3 H 6.428 1.679 -8.344 1.00 . A A . 15 LYS HD3 1 1 17 4584 1 1 15 LYS HE2 H 4.198 2.806 -9.340 1.00 . A A . 15 LYS HE2 1 1 17 4585 1 1 15 LYS HE3 H 5.280 3.013 -10.716 1.00 . A A . 15 LYS HE3 1 1 17 4586 1 1 15 LYS HG2 H 6.818 3.726 -7.147 1.00 . A A . 15 LYS HG2 1 1 17 4587 1 1 15 LYS HG3 H 5.078 3.515 -7.353 1.00 . A A . 15 LYS HG3 1 1 17 4588 1 1 15 LYS HZ1 H 4.084 0.929 -10.860 1.00 . A A . 15 LYS HZ1 1 1 17 4589 1 1 15 LYS HZ2 H 4.680 0.444 -9.352 1.00 . A A . 15 LYS HZ2 1 1 17 4590 1 1 15 LYS HZ3 H 5.738 0.635 -10.658 1.00 . A A . 15 LYS HZ3 1 1 17 4591 1 1 15 LYS N N 8.375 5.035 -8.424 1.00 . A A . 15 LYS N 1 1 17 4592 1 1 15 LYS NZ N 4.883 1.011 -10.200 1.00 . A A . 15 LYS NZ 1 1 17 4593 1 1 15 LYS O O 7.861 7.727 -6.987 1.00 . A A . 15 LYS O 1 1 17 4594 1 1 16 GLY C C 6.498 6.108 -3.719 1.00 . A A . 16 GLY C 1 1 17 4595 1 1 16 GLY CA C 6.211 6.998 -4.911 1.00 . A A . 16 GLY CA 1 1 17 4596 1 1 16 GLY H H 5.795 5.487 -6.334 1.00 . A A . 16 GLY H 1 1 17 4597 1 1 16 GLY HA2 H 6.906 7.825 -4.907 1.00 . A A . 16 GLY HA2 1 1 17 4598 1 1 16 GLY HA3 H 5.206 7.387 -4.823 1.00 . A A . 16 GLY HA3 1 1 17 4599 1 1 16 GLY N N 6.330 6.293 -6.174 1.00 . A A . 16 GLY N 1 1 17 4600 1 1 16 GLY O O 7.624 5.649 -3.536 1.00 . A A . 16 GLY O 1 1 17 4601 1 1 17 GLY C C 5.113 5.677 -0.471 1.00 . A A . 17 GLY C 1 1 17 4602 1 1 17 GLY CA C 5.645 5.026 -1.732 1.00 . A A . 17 GLY CA 1 1 17 4603 1 1 17 GLY H H 4.600 6.259 -3.101 1.00 . A A . 17 GLY H 1 1 17 4604 1 1 17 GLY HA2 H 5.123 4.095 -1.891 1.00 . A A . 17 GLY HA2 1 1 17 4605 1 1 17 GLY HA3 H 6.697 4.819 -1.600 1.00 . A A . 17 GLY HA3 1 1 17 4606 1 1 17 GLY N N 5.476 5.864 -2.904 1.00 . A A . 17 GLY N 1 1 17 4607 1 1 17 GLY O O 4.626 6.807 -0.507 1.00 . A A . 17 GLY O 1 1 18 4608 1 1 1 PTL C1 C 2.889 -1.966 -0.031 1.00 . A A . 1 PTL C1 1 1 18 4609 1 1 1 PTL C2 C 2.020 -0.821 0.481 1.00 . A A . 1 PTL C2 1 1 18 4610 1 1 1 PTL C3 C 2.767 0.506 0.336 1.00 . A A . 1 PTL C3 1 1 18 4611 1 1 1 PTL C4 C 1.851 1.720 0.326 1.00 . A A . 1 PTL C4 1 1 18 4612 1 1 1 PTL C5 C 1.766 2.389 1.666 1.00 . A A . 1 PTL C5 1 1 18 4613 1 1 1 PTL H21 H 1.735 -0.984 1.520 1.00 . A A . 1 PTL H21 1 1 18 4614 1 1 1 PTL H22 H 1.115 -0.781 -0.107 1.00 . A A . 1 PTL H22 1 1 18 4615 1 1 1 PTL H31 H 3.457 0.609 1.159 1.00 . A A . 1 PTL H31 1 1 18 4616 1 1 1 PTL H32 H 3.321 0.494 -0.591 1.00 . A A . 1 PTL H32 1 1 18 4617 1 1 1 PTL H41 H 2.228 2.433 -0.392 1.00 . A A . 1 PTL H41 1 1 18 4618 1 1 1 PTL H42 H 0.861 1.405 0.032 1.00 . A A . 1 PTL H42 1 1 18 4619 1 1 1 PTL H51 H 1.379 1.684 2.400 1.00 . A A . 1 PTL H51 1 1 18 4620 1 1 1 PTL H52 H 1.100 3.249 1.601 1.00 . A A . 1 PTL H52 1 1 18 4621 1 1 1 PTL H53 H 2.758 2.721 1.970 1.00 . A A . 1 PTL H53 1 1 18 4622 1 1 1 PTL O1 O 3.281 -2.849 0.731 1.00 . A A . 1 PTL O1 1 1 18 4623 1 1 2 VAL C C 5.476 -2.809 -1.565 1.00 . A A . 2 VAL C 1 1 18 4624 1 1 2 VAL CA C 4.009 -2.980 -1.940 1.00 . A A . 2 VAL CA 1 1 18 4625 1 1 2 VAL CB C 3.877 -2.966 -3.474 1.00 . A A . 2 VAL CB 1 1 18 4626 1 1 2 VAL CG1 C 4.979 -3.799 -4.112 1.00 . A A . 2 VAL CG1 1 1 18 4627 1 1 2 VAL CG2 C 2.505 -3.471 -3.896 1.00 . A A . 2 VAL CG2 1 1 18 4628 1 1 2 VAL H H 2.843 -1.214 -1.883 1.00 . A A . 2 VAL H 1 1 18 4629 1 1 2 VAL HA H 3.665 -3.938 -1.578 1.00 . A A . 2 VAL HA 1 1 18 4630 1 1 2 VAL HB H 3.983 -1.947 -3.815 1.00 . A A . 2 VAL HB 1 1 18 4631 1 1 2 VAL HG11 H 4.643 -4.165 -5.071 1.00 . A A . 2 VAL HG11 1 1 18 4632 1 1 2 VAL HG12 H 5.859 -3.188 -4.246 1.00 . A A . 2 VAL HG12 1 1 18 4633 1 1 2 VAL HG13 H 5.214 -4.635 -3.470 1.00 . A A . 2 VAL HG13 1 1 18 4634 1 1 2 VAL HG21 H 2.148 -4.190 -3.173 1.00 . A A . 2 VAL HG21 1 1 18 4635 1 1 2 VAL HG22 H 1.818 -2.639 -3.947 1.00 . A A . 2 VAL HG22 1 1 18 4636 1 1 2 VAL HG23 H 2.576 -3.939 -4.866 1.00 . A A . 2 VAL HG23 1 1 18 4637 1 1 2 VAL N N 3.185 -1.944 -1.326 1.00 . A A . 2 VAL N 1 1 18 4638 1 1 2 VAL O O 6.252 -3.763 -1.600 1.00 . A A . 2 VAL O 1 1 18 4639 1 1 3 ALA C C 7.698 -2.222 0.289 1.00 . A A . 3 ALA C 1 1 18 4640 1 1 3 ALA CA C 7.225 -1.289 -0.820 1.00 . A A . 3 ALA CA 1 1 18 4641 1 1 3 ALA CB C 7.348 0.162 -0.381 1.00 . A A . 3 ALA CB 1 1 18 4642 1 1 3 ALA H H 5.186 -0.865 -1.196 1.00 . A A . 3 ALA H 1 1 18 4643 1 1 3 ALA HA H 7.853 -1.430 -1.689 1.00 . A A . 3 ALA HA 1 1 18 4644 1 1 3 ALA HB1 H 8.125 0.247 0.365 1.00 . A A . 3 ALA HB1 1 1 18 4645 1 1 3 ALA HB2 H 7.600 0.776 -1.233 1.00 . A A . 3 ALA HB2 1 1 18 4646 1 1 3 ALA HB3 H 6.410 0.493 0.039 1.00 . A A . 3 ALA HB3 1 1 18 4647 1 1 3 ALA N N 5.851 -1.585 -1.205 1.00 . A A . 3 ALA N 1 1 18 4648 1 1 3 ALA O O 8.821 -2.726 0.253 1.00 . A A . 3 ALA O 1 1 18 4649 1 1 4 ARG C C 7.393 -4.752 1.922 1.00 . A A . 4 ARG C 1 1 18 4650 1 1 4 ARG CA C 7.166 -3.319 2.395 1.00 . A A . 4 ARG CA 1 1 18 4651 1 1 4 ARG CB C 6.052 -3.286 3.441 1.00 . A A . 4 ARG CB 1 1 18 4652 1 1 4 ARG CD C 4.530 -1.288 3.536 1.00 . A A . 4 ARG CD 1 1 18 4653 1 1 4 ARG CG C 5.821 -1.910 4.044 1.00 . A A . 4 ARG CG 1 1 18 4654 1 1 4 ARG CZ C 3.451 -0.467 5.587 1.00 . A A . 4 ARG CZ 1 1 18 4655 1 1 4 ARG H H 5.956 -2.017 1.248 1.00 . A A . 4 ARG H 1 1 18 4656 1 1 4 ARG HA H 8.079 -2.953 2.843 1.00 . A A . 4 ARG HA 1 1 18 4657 1 1 4 ARG HB2 H 5.130 -3.611 2.979 1.00 . A A . 4 ARG HB2 1 1 18 4658 1 1 4 ARG HB3 H 6.304 -3.967 4.240 1.00 . A A . 4 ARG HB3 1 1 18 4659 1 1 4 ARG HD2 H 4.727 -0.266 3.248 1.00 . A A . 4 ARG HD2 1 1 18 4660 1 1 4 ARG HD3 H 4.191 -1.846 2.676 1.00 . A A . 4 ARG HD3 1 1 18 4661 1 1 4 ARG HE H 2.765 -1.961 4.458 1.00 . A A . 4 ARG HE 1 1 18 4662 1 1 4 ARG HG2 H 5.766 -2.002 5.119 1.00 . A A . 4 ARG HG2 1 1 18 4663 1 1 4 ARG HG3 H 6.648 -1.268 3.778 1.00 . A A . 4 ARG HG3 1 1 18 4664 1 1 4 ARG HH11 H 5.151 0.497 5.076 1.00 . A A . 4 ARG HH11 1 1 18 4665 1 1 4 ARG HH12 H 4.380 1.067 6.519 1.00 . A A . 4 ARG HH12 1 1 18 4666 1 1 4 ARG HH21 H 2.440 0.088 7.247 1.00 . A A . 4 ARG HH21 1 1 18 4667 1 1 4 ARG HH22 H 1.740 -1.221 6.356 1.00 . A A . 4 ARG HH22 1 1 18 4668 1 1 4 ARG N N 6.836 -2.447 1.274 1.00 . A A . 4 ARG N 1 1 18 4669 1 1 4 ARG NE N 3.480 -1.300 4.552 1.00 . A A . 4 ARG NE 1 1 18 4670 1 1 4 ARG NH1 N 4.406 0.440 5.741 1.00 . A A . 4 ARG NH1 1 1 18 4671 1 1 4 ARG NH2 N 2.462 -0.539 6.469 1.00 . A A . 4 ARG NH2 1 1 18 4672 1 1 4 ARG O O 7.956 -5.574 2.643 1.00 . A A . 4 ARG O 1 1 18 4673 1 1 5 GLY C C 7.902 -6.381 -1.139 1.00 . A A . 5 GLY C 1 1 18 4674 1 1 5 GLY CA C 7.111 -6.378 0.154 1.00 . A A . 5 GLY CA 1 1 18 4675 1 1 5 GLY H H 6.506 -4.349 0.172 1.00 . A A . 5 GLY H 1 1 18 4676 1 1 5 GLY HA2 H 7.621 -6.994 0.879 1.00 . A A . 5 GLY HA2 1 1 18 4677 1 1 5 GLY HA3 H 6.133 -6.798 -0.035 1.00 . A A . 5 GLY HA3 1 1 18 4678 1 1 5 GLY N N 6.948 -5.044 0.703 1.00 . A A . 5 GLY N 1 1 18 4679 1 1 5 GLY O O 7.953 -7.390 -1.840 1.00 . A A . 5 GLY O 1 1 18 4680 1 1 6 TRP C C 10.758 -4.770 -2.348 1.00 . A A . 6 TRP C 1 1 18 4681 1 1 6 TRP CA C 9.311 -5.124 -2.673 1.00 . A A . 6 TRP CA 1 1 18 4682 1 1 6 TRP CB C 8.707 -4.061 -3.592 1.00 . A A . 6 TRP CB 1 1 18 4683 1 1 6 TRP CD1 C 9.710 -2.449 -5.313 1.00 . A A . 6 TRP CD1 1 1 18 4684 1 1 6 TRP CD2 C 10.524 -4.532 -5.421 1.00 . A A . 6 TRP CD2 1 1 18 4685 1 1 6 TRP CE2 C 11.152 -3.754 -6.412 1.00 . A A . 6 TRP CE2 1 1 18 4686 1 1 6 TRP CE3 C 10.878 -5.879 -5.297 1.00 . A A . 6 TRP CE3 1 1 18 4687 1 1 6 TRP CG C 9.605 -3.679 -4.729 1.00 . A A . 6 TRP CG 1 1 18 4688 1 1 6 TRP CH2 C 12.439 -5.599 -7.130 1.00 . A A . 6 TRP CH2 1 1 18 4689 1 1 6 TRP CZ2 C 12.112 -4.279 -7.272 1.00 . A A . 6 TRP CZ2 1 1 18 4690 1 1 6 TRP CZ3 C 11.830 -6.399 -6.153 1.00 . A A . 6 TRP CZ3 1 1 18 4691 1 1 6 TRP H H 8.441 -4.477 -0.853 1.00 . A A . 6 TRP H 1 1 18 4692 1 1 6 TRP HA H 9.292 -6.078 -3.179 1.00 . A A . 6 TRP HA 1 1 18 4693 1 1 6 TRP HB2 H 7.784 -4.436 -4.007 1.00 . A A . 6 TRP HB2 1 1 18 4694 1 1 6 TRP HB3 H 8.502 -3.171 -3.014 1.00 . A A . 6 TRP HB3 1 1 18 4695 1 1 6 TRP HD1 H 9.139 -1.583 -5.014 1.00 . A A . 6 TRP HD1 1 1 18 4696 1 1 6 TRP HE1 H 10.891 -1.729 -6.894 1.00 . A A . 6 TRP HE1 1 1 18 4697 1 1 6 TRP HE3 H 10.420 -6.511 -4.551 1.00 . A A . 6 TRP HE3 1 1 18 4698 1 1 6 TRP HH2 H 13.177 -6.047 -7.777 1.00 . A A . 6 TRP HH2 1 1 18 4699 1 1 6 TRP HZ2 H 12.590 -3.675 -8.030 1.00 . A A . 6 TRP HZ2 1 1 18 4700 1 1 6 TRP HZ3 H 12.116 -7.437 -6.073 1.00 . A A . 6 TRP HZ3 1 1 18 4701 1 1 6 TRP N N 8.520 -5.248 -1.455 1.00 . A A . 6 TRP N 1 1 18 4702 1 1 6 TRP NE1 N 10.638 -2.487 -6.326 1.00 . A A . 6 TRP NE1 1 1 18 4703 1 1 6 TRP O O 11.633 -5.636 -2.337 1.00 . A A . 6 TRP O 1 1 18 4704 1 1 7 LYS C C 12.498 -2.811 -0.253 1.00 . A A . 7 LYS C 1 1 18 4705 1 1 7 LYS CA C 12.346 -3.022 -1.756 1.00 . A A . 7 LYS CA 1 1 18 4706 1 1 7 LYS CB C 12.647 -1.718 -2.498 1.00 . A A . 7 LYS CB 1 1 18 4707 1 1 7 LYS CD C 14.170 -2.892 -4.113 1.00 . A A . 7 LYS CD 1 1 18 4708 1 1 7 LYS CE C 14.767 -2.830 -5.511 1.00 . A A . 7 LYS CE 1 1 18 4709 1 1 7 LYS CG C 13.014 -1.918 -3.958 1.00 . A A . 7 LYS CG 1 1 18 4710 1 1 7 LYS H H 10.266 -2.847 -2.108 1.00 . A A . 7 LYS H 1 1 18 4711 1 1 7 LYS HA H 13.048 -3.777 -2.074 1.00 . A A . 7 LYS HA 1 1 18 4712 1 1 7 LYS HB2 H 11.776 -1.081 -2.451 1.00 . A A . 7 LYS HB2 1 1 18 4713 1 1 7 LYS HB3 H 13.472 -1.220 -2.006 1.00 . A A . 7 LYS HB3 1 1 18 4714 1 1 7 LYS HD2 H 14.937 -2.645 -3.396 1.00 . A A . 7 LYS HD2 1 1 18 4715 1 1 7 LYS HD3 H 13.811 -3.895 -3.929 1.00 . A A . 7 LYS HD3 1 1 18 4716 1 1 7 LYS HE2 H 14.356 -3.634 -6.100 1.00 . A A . 7 LYS HE2 1 1 18 4717 1 1 7 LYS HE3 H 14.502 -1.884 -5.959 1.00 . A A . 7 LYS HE3 1 1 18 4718 1 1 7 LYS HG2 H 12.156 -2.308 -4.485 1.00 . A A . 7 LYS HG2 1 1 18 4719 1 1 7 LYS HG3 H 13.298 -0.966 -4.382 1.00 . A A . 7 LYS HG3 1 1 18 4720 1 1 7 LYS HZ1 H 16.595 -2.939 -4.505 1.00 . A A . 7 LYS HZ1 1 1 18 4721 1 1 7 LYS HZ2 H 16.684 -2.167 -6.008 1.00 . A A . 7 LYS HZ2 1 1 18 4722 1 1 7 LYS HZ3 H 16.540 -3.850 -5.930 1.00 . A A . 7 LYS HZ3 1 1 18 4723 1 1 7 LYS N N 11.004 -3.491 -2.083 1.00 . A A . 7 LYS N 1 1 18 4724 1 1 7 LYS NZ N 16.250 -2.956 -5.487 1.00 . A A . 7 LYS NZ 1 1 18 4725 1 1 7 LYS O O 12.941 -3.707 0.466 1.00 . A A . 7 LYS O 1 1 18 4726 1 1 8 ARG C C 10.849 -1.361 2.297 1.00 . A A . 8 ARG C 1 1 18 4727 1 1 8 ARG CA C 12.220 -1.297 1.632 1.00 . A A . 8 ARG CA 1 1 18 4728 1 1 8 ARG CB C 12.824 0.096 1.816 1.00 . A A . 8 ARG CB 1 1 18 4729 1 1 8 ARG CD C 14.695 1.661 1.212 1.00 . A A . 8 ARG CD 1 1 18 4730 1 1 8 ARG CG C 14.256 0.210 1.321 1.00 . A A . 8 ARG CG 1 1 18 4731 1 1 8 ARG CZ C 16.752 2.978 1.495 1.00 . A A . 8 ARG CZ 1 1 18 4732 1 1 8 ARG H H 11.780 -0.951 -0.410 1.00 . A A . 8 ARG H 1 1 18 4733 1 1 8 ARG HA H 12.867 -2.025 2.098 1.00 . A A . 8 ARG HA 1 1 18 4734 1 1 8 ARG HB2 H 12.222 0.812 1.276 1.00 . A A . 8 ARG HB2 1 1 18 4735 1 1 8 ARG HB3 H 12.809 0.345 2.867 1.00 . A A . 8 ARG HB3 1 1 18 4736 1 1 8 ARG HD2 H 14.630 1.968 0.179 1.00 . A A . 8 ARG HD2 1 1 18 4737 1 1 8 ARG HD3 H 14.032 2.269 1.810 1.00 . A A . 8 ARG HD3 1 1 18 4738 1 1 8 ARG HE H 16.494 1.112 2.150 1.00 . A A . 8 ARG HE 1 1 18 4739 1 1 8 ARG HG2 H 14.908 -0.301 2.013 1.00 . A A . 8 ARG HG2 1 1 18 4740 1 1 8 ARG HG3 H 14.328 -0.252 0.347 1.00 . A A . 8 ARG HG3 1 1 18 4741 1 1 8 ARG HH11 H 15.262 3.929 0.517 1.00 . A A . 8 ARG HH11 1 1 18 4742 1 1 8 ARG HH12 H 16.718 4.845 0.723 1.00 . A A . 8 ARG HH12 1 1 18 4743 1 1 8 ARG HH21 H 18.511 3.922 1.809 1.00 . A A . 8 ARG HH21 1 1 18 4744 1 1 8 ARG HH22 H 18.416 2.308 2.428 1.00 . A A . 8 ARG HH22 1 1 18 4745 1 1 8 ARG N N 12.125 -1.625 0.214 1.00 . A A . 8 ARG N 1 1 18 4746 1 1 8 ARG NE N 16.065 1.856 1.678 1.00 . A A . 8 ARG NE 1 1 18 4747 1 1 8 ARG NH1 N 16.199 4.000 0.860 1.00 . A A . 8 ARG NH1 1 1 18 4748 1 1 8 ARG NH2 N 17.996 3.077 1.948 1.00 . A A . 8 ARG NH2 1 1 18 4749 1 1 8 ARG O O 10.239 -2.427 2.388 1.00 . A A . 8 ARG O 1 1 18 4750 1 1 9 LYS C C 8.187 0.922 2.759 1.00 . A A . 9 LYS C 1 1 18 4751 1 1 9 LYS CA C 9.068 -0.136 3.417 1.00 . A A . 9 LYS CA 1 1 18 4752 1 1 9 LYS CB C 9.242 0.184 4.904 1.00 . A A . 9 LYS CB 1 1 18 4753 1 1 9 LYS CD C 11.548 -0.249 5.800 1.00 . A A . 9 LYS CD 1 1 18 4754 1 1 9 LYS CE C 12.592 -1.352 5.702 1.00 . A A . 9 LYS CE 1 1 18 4755 1 1 9 LYS CG C 10.141 -0.798 5.636 1.00 . A A . 9 LYS CG 1 1 18 4756 1 1 9 LYS H H 10.901 0.604 2.659 1.00 . A A . 9 LYS H 1 1 18 4757 1 1 9 LYS HA H 8.588 -1.098 3.319 1.00 . A A . 9 LYS HA 1 1 18 4758 1 1 9 LYS HB2 H 9.669 1.171 5.000 1.00 . A A . 9 LYS HB2 1 1 18 4759 1 1 9 LYS HB3 H 8.271 0.173 5.378 1.00 . A A . 9 LYS HB3 1 1 18 4760 1 1 9 LYS HD2 H 11.736 0.478 5.025 1.00 . A A . 9 LYS HD2 1 1 18 4761 1 1 9 LYS HD3 H 11.630 0.225 6.769 1.00 . A A . 9 LYS HD3 1 1 18 4762 1 1 9 LYS HE2 H 12.091 -2.286 5.494 1.00 . A A . 9 LYS HE2 1 1 18 4763 1 1 9 LYS HE3 H 13.267 -1.118 4.892 1.00 . A A . 9 LYS HE3 1 1 18 4764 1 1 9 LYS HG2 H 9.726 -0.993 6.613 1.00 . A A . 9 LYS HG2 1 1 18 4765 1 1 9 LYS HG3 H 10.187 -1.719 5.072 1.00 . A A . 9 LYS HG3 1 1 18 4766 1 1 9 LYS HZ1 H 14.051 -2.275 6.876 1.00 . A A . 9 LYS HZ1 1 1 18 4767 1 1 9 LYS HZ2 H 12.735 -1.682 7.759 1.00 . A A . 9 LYS HZ2 1 1 18 4768 1 1 9 LYS HZ3 H 13.898 -0.613 7.154 1.00 . A A . 9 LYS HZ3 1 1 18 4769 1 1 9 LYS N N 10.368 -0.212 2.761 1.00 . A A . 9 LYS N 1 1 18 4770 1 1 9 LYS NZ N 13.374 -1.491 6.961 1.00 . A A . 9 LYS NZ 1 1 18 4771 1 1 9 LYS O O 7.027 0.664 2.437 1.00 . A A . 9 LYS O 1 1 18 4772 1 1 10 CYS C C 8.232 3.223 0.432 1.00 . A A . 10 CYS C 1 1 18 4773 1 1 10 CYS CA C 8.012 3.207 1.941 1.00 . A A . 10 CYS CA 1 1 18 4774 1 1 10 CYS CB C 8.442 4.544 2.546 1.00 . A A . 10 CYS CB 1 1 18 4775 1 1 10 CYS H H 9.675 2.255 2.841 1.00 . A A . 10 CYS H 1 1 18 4776 1 1 10 CYS HA H 6.961 3.054 2.137 1.00 . A A . 10 CYS HA 1 1 18 4777 1 1 10 CYS HB2 H 9.055 5.073 1.832 1.00 . A A . 10 CYS HB2 1 1 18 4778 1 1 10 CYS HB3 H 7.562 5.132 2.763 1.00 . A A . 10 CYS HB3 1 1 18 4779 1 1 10 CYS HG H 9.016 5.363 4.892 1.00 . A A . 10 CYS HG 1 1 18 4780 1 1 10 CYS N N 8.746 2.111 2.562 1.00 . A A . 10 CYS N 1 1 18 4781 1 1 10 CYS O O 7.292 3.138 -0.359 1.00 . A A . 10 CYS O 1 1 18 4782 1 1 10 CYS SG S 9.393 4.390 4.077 1.00 . A A . 10 CYS SG 1 1 18 4783 1 1 11 PRO C C 9.676 2.023 -2.080 1.00 . A A . 11 PRO C 1 1 18 4784 1 1 11 PRO CA C 9.877 3.371 -1.396 1.00 . A A . 11 PRO CA 1 1 18 4785 1 1 11 PRO CB C 11.364 3.737 -1.362 1.00 . A A . 11 PRO CB 1 1 18 4786 1 1 11 PRO CD C 10.674 3.447 0.908 1.00 . A A . 11 PRO CD 1 1 18 4787 1 1 11 PRO CG C 11.838 3.273 -0.029 1.00 . A A . 11 PRO CG 1 1 18 4788 1 1 11 PRO HA H 9.330 4.131 -1.933 1.00 . A A . 11 PRO HA 1 1 18 4789 1 1 11 PRO HB2 H 11.880 3.229 -2.164 1.00 . A A . 11 PRO HB2 1 1 18 4790 1 1 11 PRO HB3 H 11.478 4.805 -1.472 1.00 . A A . 11 PRO HB3 1 1 18 4791 1 1 11 PRO HD2 H 10.668 2.663 1.651 1.00 . A A . 11 PRO HD2 1 1 18 4792 1 1 11 PRO HD3 H 10.711 4.417 1.380 1.00 . A A . 11 PRO HD3 1 1 18 4793 1 1 11 PRO HG2 H 12.125 2.234 -0.082 1.00 . A A . 11 PRO HG2 1 1 18 4794 1 1 11 PRO HG3 H 12.672 3.877 0.295 1.00 . A A . 11 PRO HG3 1 1 18 4795 1 1 11 PRO N N 9.504 3.339 0.022 1.00 . A A . 11 PRO N 1 1 18 4796 1 1 11 PRO O O 9.884 0.971 -1.473 1.00 . A A . 11 PRO O 1 1 18 4797 1 1 12 LEU C C 10.062 0.706 -5.236 1.00 . A A . 12 LEU C 1 1 18 4798 1 1 12 LEU CA C 9.041 0.841 -4.111 1.00 . A A . 12 LEU CA 1 1 18 4799 1 1 12 LEU CB C 7.624 0.837 -4.688 1.00 . A A . 12 LEU CB 1 1 18 4800 1 1 12 LEU CD1 C 6.220 2.061 -3.011 1.00 . A A . 12 LEU CD1 1 1 18 4801 1 1 12 LEU CD2 C 5.226 0.193 -4.346 1.00 . A A . 12 LEU CD2 1 1 18 4802 1 1 12 LEU CG C 6.487 0.718 -3.674 1.00 . A A . 12 LEU CG 1 1 18 4803 1 1 12 LEU H H 9.121 2.929 -3.773 1.00 . A A . 12 LEU H 1 1 18 4804 1 1 12 LEU HA H 9.150 0.002 -3.439 1.00 . A A . 12 LEU HA 1 1 18 4805 1 1 12 LEU HB2 H 7.488 1.759 -5.232 1.00 . A A . 12 LEU HB2 1 1 18 4806 1 1 12 LEU HB3 H 7.549 0.003 -5.371 1.00 . A A . 12 LEU HB3 1 1 18 4807 1 1 12 LEU HD11 H 7.086 2.357 -2.439 1.00 . A A . 12 LEU HD11 1 1 18 4808 1 1 12 LEU HD12 H 5.366 1.974 -2.355 1.00 . A A . 12 LEU HD12 1 1 18 4809 1 1 12 LEU HD13 H 6.016 2.802 -3.769 1.00 . A A . 12 LEU HD13 1 1 18 4810 1 1 12 LEU HD21 H 4.443 0.087 -3.611 1.00 . A A . 12 LEU HD21 1 1 18 4811 1 1 12 LEU HD22 H 5.431 -0.767 -4.795 1.00 . A A . 12 LEU HD22 1 1 18 4812 1 1 12 LEU HD23 H 4.910 0.888 -5.111 1.00 . A A . 12 LEU HD23 1 1 18 4813 1 1 12 LEU HG H 6.772 0.016 -2.903 1.00 . A A . 12 LEU HG 1 1 18 4814 1 1 12 LEU N N 9.270 2.061 -3.344 1.00 . A A . 12 LEU N 1 1 18 4815 1 1 12 LEU O O 11.248 0.485 -4.990 1.00 . A A . 12 LEU O 1 1 18 4816 1 1 13 PHE C C 11.074 2.090 -7.986 1.00 . A A . 13 PHE C 1 1 18 4817 1 1 13 PHE CA C 10.466 0.734 -7.636 1.00 . A A . 13 PHE CA 1 1 18 4818 1 1 13 PHE CB C 9.688 0.187 -8.835 1.00 . A A . 13 PHE CB 1 1 18 4819 1 1 13 PHE CD1 C 8.062 -1.443 -7.839 1.00 . A A . 13 PHE CD1 1 1 18 4820 1 1 13 PHE CD2 C 9.806 -2.288 -9.226 1.00 . A A . 13 PHE CD2 1 1 18 4821 1 1 13 PHE CE1 C 7.587 -2.727 -7.647 1.00 . A A . 13 PHE CE1 1 1 18 4822 1 1 13 PHE CE2 C 9.336 -3.574 -9.039 1.00 . A A . 13 PHE CE2 1 1 18 4823 1 1 13 PHE CG C 9.175 -1.210 -8.629 1.00 . A A . 13 PHE CG 1 1 18 4824 1 1 13 PHE CZ C 8.225 -3.794 -8.248 1.00 . A A . 13 PHE CZ 1 1 18 4825 1 1 13 PHE H H 8.638 1.016 -6.605 1.00 . A A . 13 PHE H 1 1 18 4826 1 1 13 PHE HA H 11.262 0.049 -7.391 1.00 . A A . 13 PHE HA 1 1 18 4827 1 1 13 PHE HB2 H 8.840 0.827 -9.027 1.00 . A A . 13 PHE HB2 1 1 18 4828 1 1 13 PHE HB3 H 10.332 0.181 -9.700 1.00 . A A . 13 PHE HB3 1 1 18 4829 1 1 13 PHE HD1 H 7.561 -0.609 -7.367 1.00 . A A . 13 PHE HD1 1 1 18 4830 1 1 13 PHE HD2 H 10.676 -2.119 -9.844 1.00 . A A . 13 PHE HD2 1 1 18 4831 1 1 13 PHE HE1 H 6.718 -2.896 -7.028 1.00 . A A . 13 PHE HE1 1 1 18 4832 1 1 13 PHE HE2 H 9.838 -4.407 -9.510 1.00 . A A . 13 PHE HE2 1 1 18 4833 1 1 13 PHE HZ H 7.856 -4.798 -8.101 1.00 . A A . 13 PHE HZ 1 1 18 4834 1 1 13 PHE N N 9.593 0.841 -6.472 1.00 . A A . 13 PHE N 1 1 18 4835 1 1 13 PHE O O 12.159 2.435 -7.519 1.00 . A A . 13 PHE O 1 1 18 4836 1 1 14 GLY C C 9.842 5.262 -8.940 1.00 . A A . 14 GLY C 1 1 18 4837 1 1 14 GLY CA C 10.850 4.162 -9.211 1.00 . A A . 14 GLY CA 1 1 18 4838 1 1 14 GLY H H 9.506 2.526 -9.153 1.00 . A A . 14 GLY H 1 1 18 4839 1 1 14 GLY HA2 H 11.759 4.379 -8.668 1.00 . A A . 14 GLY HA2 1 1 18 4840 1 1 14 GLY HA3 H 11.070 4.144 -10.269 1.00 . A A . 14 GLY HA3 1 1 18 4841 1 1 14 GLY N N 10.365 2.854 -8.812 1.00 . A A . 14 GLY N 1 1 18 4842 1 1 14 GLY O O 10.033 6.405 -9.355 1.00 . A A . 14 GLY O 1 1 18 4843 1 1 15 LYS C C 7.926 6.452 -6.519 1.00 . A A . 15 LYS C 1 1 18 4844 1 1 15 LYS CA C 7.722 5.881 -7.918 1.00 . A A . 15 LYS CA 1 1 18 4845 1 1 15 LYS CB C 6.343 5.225 -8.015 1.00 . A A . 15 LYS CB 1 1 18 4846 1 1 15 LYS CD C 6.555 2.931 -9.018 1.00 . A A . 15 LYS CD 1 1 18 4847 1 1 15 LYS CE C 5.681 1.972 -9.813 1.00 . A A . 15 LYS CE 1 1 18 4848 1 1 15 LYS CG C 6.158 4.378 -9.263 1.00 . A A . 15 LYS CG 1 1 18 4849 1 1 15 LYS H H 8.669 3.988 -7.941 1.00 . A A . 15 LYS H 1 1 18 4850 1 1 15 LYS HA H 7.780 6.686 -8.635 1.00 . A A . 15 LYS HA 1 1 18 4851 1 1 15 LYS HB2 H 6.196 4.593 -7.152 1.00 . A A . 15 LYS HB2 1 1 18 4852 1 1 15 LYS HB3 H 5.588 5.998 -8.017 1.00 . A A . 15 LYS HB3 1 1 18 4853 1 1 15 LYS HD2 H 7.583 2.793 -9.316 1.00 . A A . 15 LYS HD2 1 1 18 4854 1 1 15 LYS HD3 H 6.450 2.712 -7.965 1.00 . A A . 15 LYS HD3 1 1 18 4855 1 1 15 LYS HE2 H 4.933 1.558 -9.155 1.00 . A A . 15 LYS HE2 1 1 18 4856 1 1 15 LYS HE3 H 5.197 2.522 -10.607 1.00 . A A . 15 LYS HE3 1 1 18 4857 1 1 15 LYS HG2 H 5.121 4.411 -9.560 1.00 . A A . 15 LYS HG2 1 1 18 4858 1 1 15 LYS HG3 H 6.775 4.781 -10.055 1.00 . A A . 15 LYS HG3 1 1 18 4859 1 1 15 LYS HZ1 H 7.178 1.240 -11.072 1.00 . A A . 15 LYS HZ1 1 1 18 4860 1 1 15 LYS HZ2 H 5.847 0.206 -10.916 1.00 . A A . 15 LYS HZ2 1 1 18 4861 1 1 15 LYS HZ3 H 6.970 0.336 -9.658 1.00 . A A . 15 LYS HZ3 1 1 18 4862 1 1 15 LYS N N 8.764 4.916 -8.244 1.00 . A A . 15 LYS N 1 1 18 4863 1 1 15 LYS NZ N 6.475 0.861 -10.406 1.00 . A A . 15 LYS NZ 1 1 18 4864 1 1 15 LYS O O 9.011 6.930 -6.186 1.00 . A A . 15 LYS O 1 1 18 4865 1 1 16 GLY C C 6.626 5.864 -3.307 1.00 . A A . 16 GLY C 1 1 18 4866 1 1 16 GLY CA C 6.965 6.912 -4.348 1.00 . A A . 16 GLY CA 1 1 18 4867 1 1 16 GLY H H 6.039 6.006 -6.023 1.00 . A A . 16 GLY H 1 1 18 4868 1 1 16 GLY HA2 H 7.971 7.266 -4.174 1.00 . A A . 16 GLY HA2 1 1 18 4869 1 1 16 GLY HA3 H 6.279 7.740 -4.245 1.00 . A A . 16 GLY HA3 1 1 18 4870 1 1 16 GLY N N 6.879 6.398 -5.703 1.00 . A A . 16 GLY N 1 1 18 4871 1 1 16 GLY O O 7.513 5.197 -2.777 1.00 . A A . 16 GLY O 1 1 18 4872 1 1 17 GLY C C 4.174 5.382 -0.864 1.00 . A A . 17 GLY C 1 1 18 4873 1 1 17 GLY CA C 4.907 4.745 -2.029 1.00 . A A . 17 GLY CA 1 1 18 4874 1 1 17 GLY H H 4.674 6.279 -3.469 1.00 . A A . 17 GLY H 1 1 18 4875 1 1 17 GLY HA2 H 4.250 4.033 -2.507 1.00 . A A . 17 GLY HA2 1 1 18 4876 1 1 17 GLY HA3 H 5.773 4.224 -1.651 1.00 . A A . 17 GLY HA3 1 1 18 4877 1 1 17 GLY N N 5.337 5.719 -3.014 1.00 . A A . 17 GLY N 1 1 18 4878 1 1 17 GLY O O 3.290 6.217 -1.060 1.00 . A A . 17 GLY O 1 1 19 4879 1 1 1 PTL C1 C 2.889 -1.744 -0.634 1.00 . A A . 1 PTL C1 1 1 19 4880 1 1 1 PTL C2 C 2.175 -0.409 -0.446 1.00 . A A . 1 PTL C2 1 1 19 4881 1 1 1 PTL C3 C 3.189 0.736 -0.485 1.00 . A A . 1 PTL C3 1 1 19 4882 1 1 1 PTL C4 C 4.026 0.849 0.779 1.00 . A A . 1 PTL C4 1 1 19 4883 1 1 1 PTL C5 C 3.488 1.869 1.738 1.00 . A A . 1 PTL C5 1 1 19 4884 1 1 1 PTL H21 H 1.622 -0.393 0.493 1.00 . A A . 1 PTL H21 1 1 19 4885 1 1 1 PTL H22 H 1.466 -0.277 -1.249 1.00 . A A . 1 PTL H22 1 1 19 4886 1 1 1 PTL H31 H 3.856 0.582 -1.320 1.00 . A A . 1 PTL H31 1 1 19 4887 1 1 1 PTL H32 H 2.660 1.666 -0.624 1.00 . A A . 1 PTL H32 1 1 19 4888 1 1 1 PTL H41 H 4.045 -0.112 1.270 1.00 . A A . 1 PTL H41 1 1 19 4889 1 1 1 PTL H42 H 5.032 1.129 0.504 1.00 . A A . 1 PTL H42 1 1 19 4890 1 1 1 PTL H51 H 3.472 2.847 1.259 1.00 . A A . 1 PTL H51 1 1 19 4891 1 1 1 PTL H52 H 4.124 1.908 2.622 1.00 . A A . 1 PTL H52 1 1 19 4892 1 1 1 PTL H53 H 2.475 1.593 2.032 1.00 . A A . 1 PTL H53 1 1 19 4893 1 1 1 PTL O1 O 2.993 -2.540 0.299 1.00 . A A . 1 PTL O1 1 1 19 4894 1 1 2 VAL C C 5.534 -3.159 -1.687 1.00 . A A . 2 VAL C 1 1 19 4895 1 1 2 VAL CA C 4.084 -3.220 -2.155 1.00 . A A . 2 VAL CA 1 1 19 4896 1 1 2 VAL CB C 4.057 -3.518 -3.666 1.00 . A A . 2 VAL CB 1 1 19 4897 1 1 2 VAL CG1 C 5.416 -3.238 -4.292 1.00 . A A . 2 VAL CG1 1 1 19 4898 1 1 2 VAL CG2 C 3.633 -4.958 -3.917 1.00 . A A . 2 VAL CG2 1 1 19 4899 1 1 2 VAL H H 3.265 -1.308 -2.549 1.00 . A A . 2 VAL H 1 1 19 4900 1 1 2 VAL HA H 3.583 -4.027 -1.641 1.00 . A A . 2 VAL HA 1 1 19 4901 1 1 2 VAL HB H 3.332 -2.866 -4.129 1.00 . A A . 2 VAL HB 1 1 19 4902 1 1 2 VAL HG11 H 6.120 -3.991 -3.970 1.00 . A A . 2 VAL HG11 1 1 19 4903 1 1 2 VAL HG12 H 5.328 -3.259 -5.368 1.00 . A A . 2 VAL HG12 1 1 19 4904 1 1 2 VAL HG13 H 5.762 -2.265 -3.977 1.00 . A A . 2 VAL HG13 1 1 19 4905 1 1 2 VAL HG21 H 3.034 -5.006 -4.814 1.00 . A A . 2 VAL HG21 1 1 19 4906 1 1 2 VAL HG22 H 4.511 -5.576 -4.036 1.00 . A A . 2 VAL HG22 1 1 19 4907 1 1 2 VAL HG23 H 3.053 -5.314 -3.078 1.00 . A A . 2 VAL HG23 1 1 19 4908 1 1 2 VAL N N 3.379 -1.982 -1.846 1.00 . A A . 2 VAL N 1 1 19 4909 1 1 2 VAL O O 6.240 -4.167 -1.688 1.00 . A A . 2 VAL O 1 1 19 4910 1 1 3 ALA C C 7.697 -2.808 0.253 1.00 . A A . 3 ALA C 1 1 19 4911 1 1 3 ALA CA C 7.336 -1.777 -0.811 1.00 . A A . 3 ALA CA 1 1 19 4912 1 1 3 ALA CB C 7.511 -0.368 -0.265 1.00 . A A . 3 ALA CB 1 1 19 4913 1 1 3 ALA H H 5.360 -1.204 -1.308 1.00 . A A . 3 ALA H 1 1 19 4914 1 1 3 ALA HA H 8.001 -1.896 -1.654 1.00 . A A . 3 ALA HA 1 1 19 4915 1 1 3 ALA HB1 H 7.685 0.315 -1.082 1.00 . A A . 3 ALA HB1 1 1 19 4916 1 1 3 ALA HB2 H 6.616 -0.075 0.265 1.00 . A A . 3 ALA HB2 1 1 19 4917 1 1 3 ALA HB3 H 8.353 -0.346 0.410 1.00 . A A . 3 ALA HB3 1 1 19 4918 1 1 3 ALA N N 5.970 -1.970 -1.285 1.00 . A A . 3 ALA N 1 1 19 4919 1 1 3 ALA O O 8.789 -3.377 0.233 1.00 . A A . 3 ALA O 1 1 19 4920 1 1 4 ARG C C 7.424 -5.357 1.691 1.00 . A A . 4 ARG C 1 1 19 4921 1 1 4 ARG CA C 6.998 -4.004 2.253 1.00 . A A . 4 ARG CA 1 1 19 4922 1 1 4 ARG CB C 5.730 -4.167 3.094 1.00 . A A . 4 ARG CB 1 1 19 4923 1 1 4 ARG CD C 5.178 -6.595 3.433 1.00 . A A . 4 ARG CD 1 1 19 4924 1 1 4 ARG CG C 5.781 -5.344 4.053 1.00 . A A . 4 ARG CG 1 1 19 4925 1 1 4 ARG CZ C 4.200 -7.701 5.397 1.00 . A A . 4 ARG CZ 1 1 19 4926 1 1 4 ARG H H 5.923 -2.559 1.142 1.00 . A A . 4 ARG H 1 1 19 4927 1 1 4 ARG HA H 7.789 -3.624 2.881 1.00 . A A . 4 ARG HA 1 1 19 4928 1 1 4 ARG HB2 H 5.578 -3.266 3.671 1.00 . A A . 4 ARG HB2 1 1 19 4929 1 1 4 ARG HB3 H 4.889 -4.306 2.432 1.00 . A A . 4 ARG HB3 1 1 19 4930 1 1 4 ARG HD2 H 4.830 -6.356 2.439 1.00 . A A . 4 ARG HD2 1 1 19 4931 1 1 4 ARG HD3 H 5.943 -7.354 3.372 1.00 . A A . 4 ARG HD3 1 1 19 4932 1 1 4 ARG HE H 3.159 -7.010 3.843 1.00 . A A . 4 ARG HE 1 1 19 4933 1 1 4 ARG HG2 H 6.811 -5.543 4.309 1.00 . A A . 4 ARG HG2 1 1 19 4934 1 1 4 ARG HG3 H 5.228 -5.093 4.946 1.00 . A A . 4 ARG HG3 1 1 19 4935 1 1 4 ARG HH11 H 6.211 -7.517 5.439 1.00 . A A . 4 ARG HH11 1 1 19 4936 1 1 4 ARG HH12 H 5.509 -8.294 6.819 1.00 . A A . 4 ARG HH12 1 1 19 4937 1 1 4 ARG HH21 H 3.240 -8.589 6.940 1.00 . A A . 4 ARG HH21 1 1 19 4938 1 1 4 ARG HH22 H 2.223 -8.033 5.654 1.00 . A A . 4 ARG HH22 1 1 19 4939 1 1 4 ARG N N 6.774 -3.044 1.180 1.00 . A A . 4 ARG N 1 1 19 4940 1 1 4 ARG NE N 4.059 -7.110 4.217 1.00 . A A . 4 ARG NE 1 1 19 4941 1 1 4 ARG NH1 N 5.406 -7.850 5.929 1.00 . A A . 4 ARG NH1 1 1 19 4942 1 1 4 ARG NH2 N 3.133 -8.144 6.051 1.00 . A A . 4 ARG NH2 1 1 19 4943 1 1 4 ARG O O 8.094 -6.139 2.366 1.00 . A A . 4 ARG O 1 1 19 4944 1 1 5 GLY C C 8.324 -6.706 -1.352 1.00 . A A . 5 GLY C 1 1 19 4945 1 1 5 GLY CA C 7.379 -6.888 -0.180 1.00 . A A . 5 GLY CA 1 1 19 4946 1 1 5 GLY H H 6.497 -4.968 -0.040 1.00 . A A . 5 GLY H 1 1 19 4947 1 1 5 GLY HA2 H 7.850 -7.526 0.552 1.00 . A A . 5 GLY HA2 1 1 19 4948 1 1 5 GLY HA3 H 6.477 -7.365 -0.533 1.00 . A A . 5 GLY HA3 1 1 19 4949 1 1 5 GLY N N 7.030 -5.629 0.451 1.00 . A A . 5 GLY N 1 1 19 4950 1 1 5 GLY O O 8.754 -7.681 -1.968 1.00 . A A . 5 GLY O 1 1 19 4951 1 1 6 TRP C C 10.931 -4.774 -2.258 1.00 . A A . 6 TRP C 1 1 19 4952 1 1 6 TRP CA C 9.545 -5.150 -2.769 1.00 . A A . 6 TRP CA 1 1 19 4953 1 1 6 TRP CB C 8.975 -4.012 -3.616 1.00 . A A . 6 TRP CB 1 1 19 4954 1 1 6 TRP CD1 C 10.159 -2.200 -4.990 1.00 . A A . 6 TRP CD1 1 1 19 4955 1 1 6 TRP CD2 C 10.790 -4.291 -5.485 1.00 . A A . 6 TRP CD2 1 1 19 4956 1 1 6 TRP CE2 C 11.509 -3.399 -6.303 1.00 . A A . 6 TRP CE2 1 1 19 4957 1 1 6 TRP CE3 C 11.022 -5.663 -5.617 1.00 . A A . 6 TRP CE3 1 1 19 4958 1 1 6 TRP CG C 9.932 -3.504 -4.651 1.00 . A A . 6 TRP CG 1 1 19 4959 1 1 6 TRP CH2 C 12.649 -5.184 -7.349 1.00 . A A . 6 TRP CH2 1 1 19 4960 1 1 6 TRP CZ2 C 12.442 -3.836 -7.240 1.00 . A A . 6 TRP CZ2 1 1 19 4961 1 1 6 TRP CZ3 C 11.948 -6.095 -6.547 1.00 . A A . 6 TRP CZ3 1 1 19 4962 1 1 6 TRP H H 8.272 -4.720 -1.133 1.00 . A A . 6 TRP H 1 1 19 4963 1 1 6 TRP HA H 9.628 -6.036 -3.381 1.00 . A A . 6 TRP HA 1 1 19 4964 1 1 6 TRP HB2 H 8.088 -4.359 -4.124 1.00 . A A . 6 TRP HB2 1 1 19 4965 1 1 6 TRP HB3 H 8.715 -3.186 -2.969 1.00 . A A . 6 TRP HB3 1 1 19 4966 1 1 6 TRP HD1 H 9.658 -1.359 -4.537 1.00 . A A . 6 TRP HD1 1 1 19 4967 1 1 6 TRP HE1 H 11.438 -1.304 -6.393 1.00 . A A . 6 TRP HE1 1 1 19 4968 1 1 6 TRP HE3 H 10.492 -6.381 -5.008 1.00 . A A . 6 TRP HE3 1 1 19 4969 1 1 6 TRP HH2 H 13.363 -5.566 -8.062 1.00 . A A . 6 TRP HH2 1 1 19 4970 1 1 6 TRP HZ2 H 12.991 -3.146 -7.865 1.00 . A A . 6 TRP HZ2 1 1 19 4971 1 1 6 TRP HZ3 H 12.141 -7.152 -6.664 1.00 . A A . 6 TRP HZ3 1 1 19 4972 1 1 6 TRP N N 8.646 -5.455 -1.661 1.00 . A A . 6 TRP N 1 1 19 4973 1 1 6 TRP NE1 N 11.105 -2.130 -5.982 1.00 . A A . 6 TRP NE1 1 1 19 4974 1 1 6 TRP O O 11.859 -5.583 -2.296 1.00 . A A . 6 TRP O 1 1 19 4975 1 1 7 LYS C C 12.264 -2.846 0.252 1.00 . A A . 7 LYS C 1 1 19 4976 1 1 7 LYS CA C 12.340 -3.058 -1.257 1.00 . A A . 7 LYS CA 1 1 19 4977 1 1 7 LYS CB C 12.733 -1.751 -1.947 1.00 . A A . 7 LYS CB 1 1 19 4978 1 1 7 LYS CD C 13.735 -3.144 -3.783 1.00 . A A . 7 LYS CD 1 1 19 4979 1 1 7 LYS CE C 14.575 -3.054 -5.046 1.00 . A A . 7 LYS CE 1 1 19 4980 1 1 7 LYS CG C 13.890 -1.901 -2.921 1.00 . A A . 7 LYS CG 1 1 19 4981 1 1 7 LYS H H 10.290 -2.943 -1.775 1.00 . A A . 7 LYS H 1 1 19 4982 1 1 7 LYS HA H 13.089 -3.806 -1.466 1.00 . A A . 7 LYS HA 1 1 19 4983 1 1 7 LYS HB2 H 11.879 -1.373 -2.491 1.00 . A A . 7 LYS HB2 1 1 19 4984 1 1 7 LYS HB3 H 13.016 -1.030 -1.194 1.00 . A A . 7 LYS HB3 1 1 19 4985 1 1 7 LYS HD2 H 14.051 -4.007 -3.214 1.00 . A A . 7 LYS HD2 1 1 19 4986 1 1 7 LYS HD3 H 12.695 -3.253 -4.058 1.00 . A A . 7 LYS HD3 1 1 19 4987 1 1 7 LYS HE2 H 14.525 -3.999 -5.565 1.00 . A A . 7 LYS HE2 1 1 19 4988 1 1 7 LYS HE3 H 14.170 -2.276 -5.677 1.00 . A A . 7 LYS HE3 1 1 19 4989 1 1 7 LYS HG2 H 13.923 -1.034 -3.564 1.00 . A A . 7 LYS HG2 1 1 19 4990 1 1 7 LYS HG3 H 14.812 -1.975 -2.362 1.00 . A A . 7 LYS HG3 1 1 19 4991 1 1 7 LYS HZ1 H 16.138 -1.712 -4.698 1.00 . A A . 7 LYS HZ1 1 1 19 4992 1 1 7 LYS HZ2 H 16.615 -3.129 -5.488 1.00 . A A . 7 LYS HZ2 1 1 19 4993 1 1 7 LYS HZ3 H 16.272 -3.159 -3.832 1.00 . A A . 7 LYS HZ3 1 1 19 4994 1 1 7 LYS N N 11.066 -3.542 -1.778 1.00 . A A . 7 LYS N 1 1 19 4995 1 1 7 LYS NZ N 15.999 -2.741 -4.745 1.00 . A A . 7 LYS NZ 1 1 19 4996 1 1 7 LYS O O 12.674 -3.707 1.030 1.00 . A A . 7 LYS O 1 1 19 4997 1 1 8 ARG C C 10.151 -1.100 2.438 1.00 . A A . 8 ARG C 1 1 19 4998 1 1 8 ARG CA C 11.607 -1.372 2.073 1.00 . A A . 8 ARG CA 1 1 19 4999 1 1 8 ARG CB C 12.467 -0.154 2.419 1.00 . A A . 8 ARG CB 1 1 19 5000 1 1 8 ARG CD C 14.466 -1.548 3.032 1.00 . A A . 8 ARG CD 1 1 19 5001 1 1 8 ARG CG C 13.955 -0.378 2.206 1.00 . A A . 8 ARG CG 1 1 19 5002 1 1 8 ARG CZ C 16.504 -2.200 4.241 1.00 . A A . 8 ARG CZ 1 1 19 5003 1 1 8 ARG H H 11.428 -1.050 -0.011 1.00 . A A . 8 ARG H 1 1 19 5004 1 1 8 ARG HA H 11.956 -2.220 2.641 1.00 . A A . 8 ARG HA 1 1 19 5005 1 1 8 ARG HB2 H 12.159 0.677 1.802 1.00 . A A . 8 ARG HB2 1 1 19 5006 1 1 8 ARG HB3 H 12.307 0.100 3.456 1.00 . A A . 8 ARG HB3 1 1 19 5007 1 1 8 ARG HD2 H 13.779 -1.725 3.846 1.00 . A A . 8 ARG HD2 1 1 19 5008 1 1 8 ARG HD3 H 14.508 -2.424 2.401 1.00 . A A . 8 ARG HD3 1 1 19 5009 1 1 8 ARG HE H 16.176 -0.400 3.447 1.00 . A A . 8 ARG HE 1 1 19 5010 1 1 8 ARG HG2 H 14.132 -0.585 1.161 1.00 . A A . 8 ARG HG2 1 1 19 5011 1 1 8 ARG HG3 H 14.488 0.516 2.494 1.00 . A A . 8 ARG HG3 1 1 19 5012 1 1 8 ARG HH11 H 15.109 -3.653 4.083 1.00 . A A . 8 ARG HH11 1 1 19 5013 1 1 8 ARG HH12 H 16.551 -4.099 4.933 1.00 . A A . 8 ARG HH12 1 1 19 5014 1 1 8 ARG HH21 H 18.240 -2.576 5.207 1.00 . A A . 8 ARG HH21 1 1 19 5015 1 1 8 ARG HH22 H 18.080 -0.976 4.565 1.00 . A A . 8 ARG HH22 1 1 19 5016 1 1 8 ARG N N 11.736 -1.695 0.657 1.00 . A A . 8 ARG N 1 1 19 5017 1 1 8 ARG NE N 15.795 -1.293 3.580 1.00 . A A . 8 ARG NE 1 1 19 5018 1 1 8 ARG NH1 N 16.014 -3.417 4.435 1.00 . A A . 8 ARG NH1 1 1 19 5019 1 1 8 ARG NH2 N 17.707 -1.892 4.710 1.00 . A A . 8 ARG NH2 1 1 19 5020 1 1 8 ARG O O 9.300 -1.984 2.339 1.00 . A A . 8 ARG O 1 1 19 5021 1 1 9 LYS C C 8.075 1.760 2.473 1.00 . A A . 9 LYS C 1 1 19 5022 1 1 9 LYS CA C 8.518 0.518 3.240 1.00 . A A . 9 LYS CA 1 1 19 5023 1 1 9 LYS CB C 8.445 0.782 4.745 1.00 . A A . 9 LYS CB 1 1 19 5024 1 1 9 LYS CD C 9.256 -0.741 6.571 1.00 . A A . 9 LYS CD 1 1 19 5025 1 1 9 LYS CE C 8.722 -1.452 7.806 1.00 . A A . 9 LYS CE 1 1 19 5026 1 1 9 LYS CG C 8.150 -0.461 5.567 1.00 . A A . 9 LYS CG 1 1 19 5027 1 1 9 LYS H H 10.594 0.790 2.918 1.00 . A A . 9 LYS H 1 1 19 5028 1 1 9 LYS HA H 7.856 -0.298 2.994 1.00 . A A . 9 LYS HA 1 1 19 5029 1 1 9 LYS HB2 H 9.390 1.189 5.074 1.00 . A A . 9 LYS HB2 1 1 19 5030 1 1 9 LYS HB3 H 7.665 1.506 4.934 1.00 . A A . 9 LYS HB3 1 1 19 5031 1 1 9 LYS HD2 H 10.004 -1.366 6.105 1.00 . A A . 9 LYS HD2 1 1 19 5032 1 1 9 LYS HD3 H 9.704 0.196 6.871 1.00 . A A . 9 LYS HD3 1 1 19 5033 1 1 9 LYS HE2 H 7.684 -1.698 7.641 1.00 . A A . 9 LYS HE2 1 1 19 5034 1 1 9 LYS HE3 H 9.288 -2.359 7.956 1.00 . A A . 9 LYS HE3 1 1 19 5035 1 1 9 LYS HG2 H 7.223 -0.317 6.101 1.00 . A A . 9 LYS HG2 1 1 19 5036 1 1 9 LYS HG3 H 8.058 -1.307 4.903 1.00 . A A . 9 LYS HG3 1 1 19 5037 1 1 9 LYS HZ1 H 8.811 -1.199 9.877 1.00 . A A . 9 LYS HZ1 1 1 19 5038 1 1 9 LYS HZ2 H 8.040 0.068 9.065 1.00 . A A . 9 LYS HZ2 1 1 19 5039 1 1 9 LYS HZ3 H 9.724 -0.070 9.009 1.00 . A A . 9 LYS HZ3 1 1 19 5040 1 1 9 LYS N N 9.872 0.128 2.861 1.00 . A A . 9 LYS N 1 1 19 5041 1 1 9 LYS NZ N 8.832 -0.604 9.025 1.00 . A A . 9 LYS NZ 1 1 19 5042 1 1 9 LYS O O 7.099 1.722 1.724 1.00 . A A . 9 LYS O 1 1 19 5043 1 1 10 CYS C C 8.755 4.008 0.494 1.00 . A A . 10 CYS C 1 1 19 5044 1 1 10 CYS CA C 8.478 4.111 1.991 1.00 . A A . 10 CYS CA 1 1 19 5045 1 1 10 CYS CB C 9.288 5.259 2.594 1.00 . A A . 10 CYS CB 1 1 19 5046 1 1 10 CYS H H 9.565 2.825 3.274 1.00 . A A . 10 CYS H 1 1 19 5047 1 1 10 CYS HA H 7.427 4.307 2.137 1.00 . A A . 10 CYS HA 1 1 19 5048 1 1 10 CYS HB2 H 10.058 4.851 3.231 1.00 . A A . 10 CYS HB2 1 1 19 5049 1 1 10 CYS HB3 H 9.751 5.821 1.796 1.00 . A A . 10 CYS HB3 1 1 19 5050 1 1 10 CYS HG H 8.011 5.814 4.729 1.00 . A A . 10 CYS HG 1 1 19 5051 1 1 10 CYS N N 8.798 2.857 2.665 1.00 . A A . 10 CYS N 1 1 19 5052 1 1 10 CYS O O 7.866 4.181 -0.339 1.00 . A A . 10 CYS O 1 1 19 5053 1 1 10 CYS SG S 8.309 6.412 3.585 1.00 . A A . 10 CYS SG 1 1 19 5054 1 1 11 PRO C C 9.870 2.344 -1.918 1.00 . A A . 11 PRO C 1 1 19 5055 1 1 11 PRO CA C 10.440 3.592 -1.254 1.00 . A A . 11 PRO CA 1 1 19 5056 1 1 11 PRO CB C 11.965 3.496 -1.155 1.00 . A A . 11 PRO CB 1 1 19 5057 1 1 11 PRO CD C 11.129 3.505 1.084 1.00 . A A . 11 PRO CD 1 1 19 5058 1 1 11 PRO CG C 12.223 2.957 0.210 1.00 . A A . 11 PRO CG 1 1 19 5059 1 1 11 PRO HA H 10.170 4.463 -1.833 1.00 . A A . 11 PRO HA 1 1 19 5060 1 1 11 PRO HB2 H 12.337 2.829 -1.921 1.00 . A A . 11 PRO HB2 1 1 19 5061 1 1 11 PRO HB3 H 12.400 4.476 -1.281 1.00 . A A . 11 PRO HB3 1 1 19 5062 1 1 11 PRO HD2 H 10.857 2.785 1.842 1.00 . A A . 11 PRO HD2 1 1 19 5063 1 1 11 PRO HD3 H 11.438 4.435 1.538 1.00 . A A . 11 PRO HD3 1 1 19 5064 1 1 11 PRO HG2 H 12.186 1.879 0.192 1.00 . A A . 11 PRO HG2 1 1 19 5065 1 1 11 PRO HG3 H 13.187 3.295 0.560 1.00 . A A . 11 PRO HG3 1 1 19 5066 1 1 11 PRO N N 10.018 3.723 0.143 1.00 . A A . 11 PRO N 1 1 19 5067 1 1 11 PRO O O 9.791 1.281 -1.301 1.00 . A A . 11 PRO O 1 1 19 5068 1 1 12 LEU C C 9.749 1.057 -5.165 1.00 . A A . 12 LEU C 1 1 19 5069 1 1 12 LEU CA C 8.911 1.362 -3.928 1.00 . A A . 12 LEU CA 1 1 19 5070 1 1 12 LEU CB C 7.471 1.672 -4.339 1.00 . A A . 12 LEU CB 1 1 19 5071 1 1 12 LEU CD1 C 5.622 0.298 -3.349 1.00 . A A . 12 LEU CD1 1 1 19 5072 1 1 12 LEU CD2 C 5.757 0.606 -5.828 1.00 . A A . 12 LEU CD2 1 1 19 5073 1 1 12 LEU CG C 6.554 0.464 -4.540 1.00 . A A . 12 LEU CG 1 1 19 5074 1 1 12 LEU H H 9.562 3.351 -3.617 1.00 . A A . 12 LEU H 1 1 19 5075 1 1 12 LEU HA H 8.914 0.495 -3.283 1.00 . A A . 12 LEU HA 1 1 19 5076 1 1 12 LEU HB2 H 7.034 2.294 -3.572 1.00 . A A . 12 LEU HB2 1 1 19 5077 1 1 12 LEU HB3 H 7.503 2.221 -5.270 1.00 . A A . 12 LEU HB3 1 1 19 5078 1 1 12 LEU HD11 H 6.204 0.123 -2.457 1.00 . A A . 12 LEU HD11 1 1 19 5079 1 1 12 LEU HD12 H 4.966 -0.543 -3.520 1.00 . A A . 12 LEU HD12 1 1 19 5080 1 1 12 LEU HD13 H 5.033 1.194 -3.226 1.00 . A A . 12 LEU HD13 1 1 19 5081 1 1 12 LEU HD21 H 6.395 0.391 -6.672 1.00 . A A . 12 LEU HD21 1 1 19 5082 1 1 12 LEU HD22 H 5.381 1.615 -5.908 1.00 . A A . 12 LEU HD22 1 1 19 5083 1 1 12 LEU HD23 H 4.928 -0.086 -5.816 1.00 . A A . 12 LEU HD23 1 1 19 5084 1 1 12 LEU HG H 7.159 -0.429 -4.616 1.00 . A A . 12 LEU HG 1 1 19 5085 1 1 12 LEU N N 9.474 2.479 -3.179 1.00 . A A . 12 LEU N 1 1 19 5086 1 1 12 LEU O O 10.963 0.866 -5.074 1.00 . A A . 12 LEU O 1 1 19 5087 1 1 13 PHE C C 10.439 1.997 -8.132 1.00 . A A . 13 PHE C 1 1 19 5088 1 1 13 PHE CA C 9.782 0.735 -7.577 1.00 . A A . 13 PHE CA 1 1 19 5089 1 1 13 PHE CB C 8.800 0.165 -8.603 1.00 . A A . 13 PHE CB 1 1 19 5090 1 1 13 PHE CD1 C 7.953 -1.718 -7.179 1.00 . A A . 13 PHE CD1 1 1 19 5091 1 1 13 PHE CD2 C 8.706 -2.217 -9.385 1.00 . A A . 13 PHE CD2 1 1 19 5092 1 1 13 PHE CE1 C 7.658 -3.053 -6.973 1.00 . A A . 13 PHE CE1 1 1 19 5093 1 1 13 PHE CE2 C 8.412 -3.552 -9.187 1.00 . A A . 13 PHE CE2 1 1 19 5094 1 1 13 PHE CG C 8.480 -1.286 -8.385 1.00 . A A . 13 PHE CG 1 1 19 5095 1 1 13 PHE CZ C 7.888 -3.971 -7.979 1.00 . A A . 13 PHE CZ 1 1 19 5096 1 1 13 PHE H H 8.129 1.177 -6.330 1.00 . A A . 13 PHE H 1 1 19 5097 1 1 13 PHE HA H 10.549 0.003 -7.379 1.00 . A A . 13 PHE HA 1 1 19 5098 1 1 13 PHE HB2 H 7.875 0.720 -8.552 1.00 . A A . 13 PHE HB2 1 1 19 5099 1 1 13 PHE HB3 H 9.224 0.268 -9.591 1.00 . A A . 13 PHE HB3 1 1 19 5100 1 1 13 PHE HD1 H 7.773 -1.000 -6.391 1.00 . A A . 13 PHE HD1 1 1 19 5101 1 1 13 PHE HD2 H 9.117 -1.892 -10.330 1.00 . A A . 13 PHE HD2 1 1 19 5102 1 1 13 PHE HE1 H 7.248 -3.376 -6.029 1.00 . A A . 13 PHE HE1 1 1 19 5103 1 1 13 PHE HE2 H 8.593 -4.269 -9.974 1.00 . A A . 13 PHE HE2 1 1 19 5104 1 1 13 PHE HZ H 7.656 -5.014 -7.822 1.00 . A A . 13 PHE HZ 1 1 19 5105 1 1 13 PHE N N 9.096 1.016 -6.321 1.00 . A A . 13 PHE N 1 1 19 5106 1 1 13 PHE O O 11.592 2.296 -7.824 1.00 . A A . 13 PHE O 1 1 19 5107 1 1 14 GLY C C 9.361 5.161 -9.228 1.00 . A A . 14 GLY C 1 1 19 5108 1 1 14 GLY CA C 10.221 3.952 -9.537 1.00 . A A . 14 GLY CA 1 1 19 5109 1 1 14 GLY H H 8.783 2.444 -9.163 1.00 . A A . 14 GLY H 1 1 19 5110 1 1 14 GLY HA2 H 11.216 4.123 -9.153 1.00 . A A . 14 GLY HA2 1 1 19 5111 1 1 14 GLY HA3 H 10.277 3.829 -10.609 1.00 . A A . 14 GLY HA3 1 1 19 5112 1 1 14 GLY N N 9.695 2.732 -8.952 1.00 . A A . 14 GLY N 1 1 19 5113 1 1 14 GLY O O 9.473 6.197 -9.885 1.00 . A A . 14 GLY O 1 1 19 5114 1 1 15 LYS C C 8.000 6.665 -6.462 1.00 . A A . 15 LYS C 1 1 19 5115 1 1 15 LYS CA C 7.613 6.120 -7.832 1.00 . A A . 15 LYS CA 1 1 19 5116 1 1 15 LYS CB C 6.160 5.642 -7.810 1.00 . A A . 15 LYS CB 1 1 19 5117 1 1 15 LYS CD C 6.161 3.133 -7.926 1.00 . A A . 15 LYS CD 1 1 19 5118 1 1 15 LYS CE C 4.835 2.492 -8.306 1.00 . A A . 15 LYS CE 1 1 19 5119 1 1 15 LYS CG C 5.956 4.349 -7.039 1.00 . A A . 15 LYS CG 1 1 19 5120 1 1 15 LYS H H 8.454 4.180 -7.741 1.00 . A A . 15 LYS H 1 1 19 5121 1 1 15 LYS HA H 7.712 6.910 -8.562 1.00 . A A . 15 LYS HA 1 1 19 5122 1 1 15 LYS HB2 H 5.548 6.408 -7.356 1.00 . A A . 15 LYS HB2 1 1 19 5123 1 1 15 LYS HB3 H 5.829 5.486 -8.827 1.00 . A A . 15 LYS HB3 1 1 19 5124 1 1 15 LYS HD2 H 6.673 3.436 -8.826 1.00 . A A . 15 LYS HD2 1 1 19 5125 1 1 15 LYS HD3 H 6.762 2.408 -7.394 1.00 . A A . 15 LYS HD3 1 1 19 5126 1 1 15 LYS HE2 H 5.018 1.473 -8.613 1.00 . A A . 15 LYS HE2 1 1 19 5127 1 1 15 LYS HE3 H 4.186 2.496 -7.443 1.00 . A A . 15 LYS HE3 1 1 19 5128 1 1 15 LYS HG2 H 6.664 4.311 -6.225 1.00 . A A . 15 LYS HG2 1 1 19 5129 1 1 15 LYS HG3 H 4.949 4.331 -6.645 1.00 . A A . 15 LYS HG3 1 1 19 5130 1 1 15 LYS HZ1 H 3.673 4.059 -9.053 1.00 . A A . 15 LYS HZ1 1 1 19 5131 1 1 15 LYS HZ2 H 3.473 2.600 -9.886 1.00 . A A . 15 LYS HZ2 1 1 19 5132 1 1 15 LYS HZ3 H 4.870 3.524 -10.121 1.00 . A A . 15 LYS HZ3 1 1 19 5133 1 1 15 LYS N N 8.498 5.030 -8.228 1.00 . A A . 15 LYS N 1 1 19 5134 1 1 15 LYS NZ N 4.166 3.220 -9.420 1.00 . A A . 15 LYS NZ 1 1 19 5135 1 1 15 LYS O O 9.137 7.085 -6.248 1.00 . A A . 15 LYS O 1 1 19 5136 1 1 16 GLY C C 7.078 6.094 -3.131 1.00 . A A . 16 GLY C 1 1 19 5137 1 1 16 GLY CA C 7.311 7.149 -4.195 1.00 . A A . 16 GLY CA 1 1 19 5138 1 1 16 GLY H H 6.160 6.306 -5.760 1.00 . A A . 16 GLY H 1 1 19 5139 1 1 16 GLY HA2 H 8.337 7.480 -4.140 1.00 . A A . 16 GLY HA2 1 1 19 5140 1 1 16 GLY HA3 H 6.661 7.989 -4.000 1.00 . A A . 16 GLY HA3 1 1 19 5141 1 1 16 GLY N N 7.048 6.654 -5.534 1.00 . A A . 16 GLY N 1 1 19 5142 1 1 16 GLY O O 7.820 6.015 -2.153 1.00 . A A . 16 GLY O 1 1 19 5143 1 1 17 GLY C C 5.233 4.797 -1.042 1.00 . A A . 17 GLY C 1 1 19 5144 1 1 17 GLY CA C 5.731 4.240 -2.361 1.00 . A A . 17 GLY CA 1 1 19 5145 1 1 17 GLY H H 5.485 5.392 -4.120 1.00 . A A . 17 GLY H 1 1 19 5146 1 1 17 GLY HA2 H 4.971 3.597 -2.778 1.00 . A A . 17 GLY HA2 1 1 19 5147 1 1 17 GLY HA3 H 6.622 3.656 -2.179 1.00 . A A . 17 GLY HA3 1 1 19 5148 1 1 17 GLY N N 6.042 5.283 -3.321 1.00 . A A . 17 GLY N 1 1 19 5149 1 1 17 GLY O O 4.737 5.922 -0.983 1.00 . A A . 17 GLY O 1 1 20 5150 1 1 1 PTL C1 C 2.894 -1.936 0.142 1.00 . A A . 1 PTL C1 1 1 20 5151 1 1 1 PTL C2 C 2.060 -0.735 0.575 1.00 . A A . 1 PTL C2 1 1 20 5152 1 1 1 PTL C3 C 2.743 0.561 0.133 1.00 . A A . 1 PTL C3 1 1 20 5153 1 1 1 PTL C4 C 3.925 0.953 1.006 1.00 . A A . 1 PTL C4 1 1 20 5154 1 1 1 PTL C5 C 3.551 1.937 2.075 1.00 . A A . 1 PTL C5 1 1 20 5155 1 1 1 PTL H21 H 1.910 -0.735 1.654 1.00 . A A . 1 PTL H21 1 1 20 5156 1 1 1 PTL H22 H 1.090 -0.797 0.106 1.00 . A A . 1 PTL H22 1 1 20 5157 1 1 1 PTL H31 H 3.096 0.441 -0.880 1.00 . A A . 1 PTL H31 1 1 20 5158 1 1 1 PTL H32 H 2.021 1.363 0.162 1.00 . A A . 1 PTL H32 1 1 20 5159 1 1 1 PTL H41 H 4.318 0.065 1.477 1.00 . A A . 1 PTL H41 1 1 20 5160 1 1 1 PTL H42 H 4.686 1.395 0.380 1.00 . A A . 1 PTL H42 1 1 20 5161 1 1 1 PTL H51 H 3.160 2.844 1.614 1.00 . A A . 1 PTL H51 1 1 20 5162 1 1 1 PTL H52 H 4.431 2.183 2.668 1.00 . A A . 1 PTL H52 1 1 20 5163 1 1 1 PTL H53 H 2.787 1.501 2.720 1.00 . A A . 1 PTL H53 1 1 20 5164 1 1 1 PTL O1 O 3.361 -2.713 0.974 1.00 . A A . 1 PTL O1 1 1 20 5165 1 1 2 VAL C C 5.340 -3.019 -1.406 1.00 . A A . 2 VAL C 1 1 20 5166 1 1 2 VAL CA C 3.855 -3.189 -1.710 1.00 . A A . 2 VAL CA 1 1 20 5167 1 1 2 VAL CB C 3.666 -3.315 -3.233 1.00 . A A . 2 VAL CB 1 1 20 5168 1 1 2 VAL CG1 C 4.916 -3.888 -3.882 1.00 . A A . 2 VAL CG1 1 1 20 5169 1 1 2 VAL CG2 C 2.450 -4.172 -3.550 1.00 . A A . 2 VAL CG2 1 1 20 5170 1 1 2 VAL H H 2.680 -1.431 -1.781 1.00 . A A . 2 VAL H 1 1 20 5171 1 1 2 VAL HA H 3.507 -4.102 -1.249 1.00 . A A . 2 VAL HA 1 1 20 5172 1 1 2 VAL HB H 3.499 -2.327 -3.637 1.00 . A A . 2 VAL HB 1 1 20 5173 1 1 2 VAL HG11 H 5.713 -3.160 -3.835 1.00 . A A . 2 VAL HG11 1 1 20 5174 1 1 2 VAL HG12 H 5.216 -4.784 -3.359 1.00 . A A . 2 VAL HG12 1 1 20 5175 1 1 2 VAL HG13 H 4.709 -4.126 -4.915 1.00 . A A . 2 VAL HG13 1 1 20 5176 1 1 2 VAL HG21 H 1.563 -3.557 -3.541 1.00 . A A . 2 VAL HG21 1 1 20 5177 1 1 2 VAL HG22 H 2.569 -4.618 -4.526 1.00 . A A . 2 VAL HG22 1 1 20 5178 1 1 2 VAL HG23 H 2.356 -4.951 -2.807 1.00 . A A . 2 VAL HG23 1 1 20 5179 1 1 2 VAL N N 3.078 -2.083 -1.167 1.00 . A A . 2 VAL N 1 1 20 5180 1 1 2 VAL O O 6.105 -3.982 -1.438 1.00 . A A . 2 VAL O 1 1 20 5181 1 1 3 ALA C C 7.665 -2.425 0.280 1.00 . A A . 3 ALA C 1 1 20 5182 1 1 3 ALA CA C 7.132 -1.489 -0.799 1.00 . A A . 3 ALA CA 1 1 20 5183 1 1 3 ALA CB C 7.277 -0.040 -0.361 1.00 . A A . 3 ALA CB 1 1 20 5184 1 1 3 ALA H H 5.083 -1.060 -1.102 1.00 . A A . 3 ALA H 1 1 20 5185 1 1 3 ALA HA H 7.713 -1.627 -1.699 1.00 . A A . 3 ALA HA 1 1 20 5186 1 1 3 ALA HB1 H 8.030 0.030 0.410 1.00 . A A . 3 ALA HB1 1 1 20 5187 1 1 3 ALA HB2 H 7.572 0.564 -1.207 1.00 . A A . 3 ALA HB2 1 1 20 5188 1 1 3 ALA HB3 H 6.333 0.316 0.024 1.00 . A A . 3 ALA HB3 1 1 20 5189 1 1 3 ALA N N 5.740 -1.786 -1.111 1.00 . A A . 3 ALA N 1 1 20 5190 1 1 3 ALA O O 8.786 -2.923 0.186 1.00 . A A . 3 ALA O 1 1 20 5191 1 1 4 ARG C C 7.558 -4.940 1.895 1.00 . A A . 4 ARG C 1 1 20 5192 1 1 4 ARG CA C 7.244 -3.537 2.404 1.00 . A A . 4 ARG CA 1 1 20 5193 1 1 4 ARG CB C 6.132 -3.600 3.454 1.00 . A A . 4 ARG CB 1 1 20 5194 1 1 4 ARG CD C 5.672 -5.969 4.157 1.00 . A A . 4 ARG CD 1 1 20 5195 1 1 4 ARG CG C 6.360 -4.661 4.518 1.00 . A A . 4 ARG CG 1 1 20 5196 1 1 4 ARG CZ C 4.023 -7.517 5.121 1.00 . A A . 4 ARG CZ 1 1 20 5197 1 1 4 ARG H H 5.970 -2.236 1.325 1.00 . A A . 4 ARG H 1 1 20 5198 1 1 4 ARG HA H 8.132 -3.124 2.858 1.00 . A A . 4 ARG HA 1 1 20 5199 1 1 4 ARG HB2 H 6.061 -2.640 3.944 1.00 . A A . 4 ARG HB2 1 1 20 5200 1 1 4 ARG HB3 H 5.198 -3.813 2.958 1.00 . A A . 4 ARG HB3 1 1 20 5201 1 1 4 ARG HD2 H 5.145 -5.836 3.223 1.00 . A A . 4 ARG HD2 1 1 20 5202 1 1 4 ARG HD3 H 6.423 -6.735 4.041 1.00 . A A . 4 ARG HD3 1 1 20 5203 1 1 4 ARG HE H 4.596 -5.798 5.954 1.00 . A A . 4 ARG HE 1 1 20 5204 1 1 4 ARG HG2 H 7.421 -4.841 4.614 1.00 . A A . 4 ARG HG2 1 1 20 5205 1 1 4 ARG HG3 H 5.966 -4.305 5.458 1.00 . A A . 4 ARG HG3 1 1 20 5206 1 1 4 ARG HH11 H 4.809 -8.104 3.355 1.00 . A A . 4 ARG HH11 1 1 20 5207 1 1 4 ARG HH12 H 3.646 -9.186 4.046 1.00 . A A . 4 ARG HH12 1 1 20 5208 1 1 4 ARG HH21 H 2.653 -8.679 6.047 1.00 . A A . 4 ARG HH21 1 1 20 5209 1 1 4 ARG HH22 H 3.063 -7.215 6.874 1.00 . A A . 4 ARG HH22 1 1 20 5210 1 1 4 ARG N N 6.853 -2.661 1.306 1.00 . A A . 4 ARG N 1 1 20 5211 1 1 4 ARG NE N 4.720 -6.388 5.183 1.00 . A A . 4 ARG NE 1 1 20 5212 1 1 4 ARG NH1 N 4.171 -8.335 4.089 1.00 . A A . 4 ARG NH1 1 1 20 5213 1 1 4 ARG NH2 N 3.176 -7.829 6.094 1.00 . A A . 4 ARG NH2 1 1 20 5214 1 1 4 ARG O O 8.215 -5.726 2.577 1.00 . A A . 4 ARG O 1 1 20 5215 1 1 5 GLY C C 8.101 -6.480 -1.188 1.00 . A A . 5 GLY C 1 1 20 5216 1 1 5 GLY CA C 7.325 -6.557 0.112 1.00 . A A . 5 GLY CA 1 1 20 5217 1 1 5 GLY H H 6.568 -4.580 0.193 1.00 . A A . 5 GLY H 1 1 20 5218 1 1 5 GLY HA2 H 7.882 -7.154 0.818 1.00 . A A . 5 GLY HA2 1 1 20 5219 1 1 5 GLY HA3 H 6.374 -7.033 -0.077 1.00 . A A . 5 GLY HA3 1 1 20 5220 1 1 5 GLY N N 7.084 -5.248 0.692 1.00 . A A . 5 GLY N 1 1 20 5221 1 1 5 GLY O O 8.366 -7.504 -1.821 1.00 . A A . 5 GLY O 1 1 20 5222 1 1 6 TRP C C 10.665 -4.706 -2.526 1.00 . A A . 6 TRP C 1 1 20 5223 1 1 6 TRP CA C 9.214 -5.064 -2.823 1.00 . A A . 6 TRP CA 1 1 20 5224 1 1 6 TRP CB C 8.564 -3.961 -3.661 1.00 . A A . 6 TRP CB 1 1 20 5225 1 1 6 TRP CD1 C 9.452 -2.264 -5.364 1.00 . A A . 6 TRP CD1 1 1 20 5226 1 1 6 TRP CD2 C 10.340 -4.311 -5.555 1.00 . A A . 6 TRP CD2 1 1 20 5227 1 1 6 TRP CE2 C 10.908 -3.481 -6.541 1.00 . A A . 6 TRP CE2 1 1 20 5228 1 1 6 TRP CE3 C 10.748 -5.645 -5.482 1.00 . A A . 6 TRP CE3 1 1 20 5229 1 1 6 TRP CG C 9.412 -3.513 -4.813 1.00 . A A . 6 TRP CG 1 1 20 5230 1 1 6 TRP CH2 C 12.241 -5.254 -7.351 1.00 . A A . 6 TRP CH2 1 1 20 5231 1 1 6 TRP CZ2 C 11.860 -3.943 -7.445 1.00 . A A . 6 TRP CZ2 1 1 20 5232 1 1 6 TRP CZ3 C 11.693 -6.103 -6.380 1.00 . A A . 6 TRP CZ3 1 1 20 5233 1 1 6 TRP H H 8.223 -4.492 -1.041 1.00 . A A . 6 TRP H 1 1 20 5234 1 1 6 TRP HA H 9.189 -5.988 -3.381 1.00 . A A . 6 TRP HA 1 1 20 5235 1 1 6 TRP HB2 H 7.627 -4.323 -4.058 1.00 . A A . 6 TRP HB2 1 1 20 5236 1 1 6 TRP HB3 H 8.376 -3.104 -3.031 1.00 . A A . 6 TRP HB3 1 1 20 5237 1 1 6 TRP HD1 H 8.858 -1.430 -5.022 1.00 . A A . 6 TRP HD1 1 1 20 5238 1 1 6 TRP HE1 H 10.556 -1.455 -6.957 1.00 . A A . 6 TRP HE1 1 1 20 5239 1 1 6 TRP HE3 H 10.337 -6.316 -4.741 1.00 . A A . 6 TRP HE3 1 1 20 5240 1 1 6 TRP HH2 H 12.976 -5.654 -8.032 1.00 . A A . 6 TRP HH2 1 1 20 5241 1 1 6 TRP HZ2 H 12.292 -3.301 -8.199 1.00 . A A . 6 TRP HZ2 1 1 20 5242 1 1 6 TRP HZ3 H 12.020 -7.132 -6.339 1.00 . A A . 6 TRP HZ3 1 1 20 5243 1 1 6 TRP N N 8.464 -5.268 -1.588 1.00 . A A . 6 TRP N 1 1 20 5244 1 1 6 TRP NE1 N 10.349 -2.237 -6.403 1.00 . A A . 6 TRP NE1 1 1 20 5245 1 1 6 TRP O O 11.552 -5.557 -2.592 1.00 . A A . 6 TRP O 1 1 20 5246 1 1 7 LYS C C 12.430 -2.791 -0.387 1.00 . A A . 7 LYS C 1 1 20 5247 1 1 7 LYS CA C 12.247 -2.968 -1.891 1.00 . A A . 7 LYS CA 1 1 20 5248 1 1 7 LYS CB C 12.523 -1.644 -2.607 1.00 . A A . 7 LYS CB 1 1 20 5249 1 1 7 LYS CD C 13.943 -2.782 -4.338 1.00 . A A . 7 LYS CD 1 1 20 5250 1 1 7 LYS CE C 14.513 -2.632 -5.740 1.00 . A A . 7 LYS CE 1 1 20 5251 1 1 7 LYS CG C 12.808 -1.803 -4.091 1.00 . A A . 7 LYS CG 1 1 20 5252 1 1 7 LYS H H 10.154 -2.806 -2.164 1.00 . A A . 7 LYS H 1 1 20 5253 1 1 7 LYS HA H 12.948 -3.710 -2.242 1.00 . A A . 7 LYS HA 1 1 20 5254 1 1 7 LYS HB2 H 11.662 -1.002 -2.494 1.00 . A A . 7 LYS HB2 1 1 20 5255 1 1 7 LYS HB3 H 13.377 -1.170 -2.146 1.00 . A A . 7 LYS HB3 1 1 20 5256 1 1 7 LYS HD2 H 14.729 -2.598 -3.621 1.00 . A A . 7 LYS HD2 1 1 20 5257 1 1 7 LYS HD3 H 13.571 -3.790 -4.216 1.00 . A A . 7 LYS HD3 1 1 20 5258 1 1 7 LYS HE2 H 14.844 -3.599 -6.085 1.00 . A A . 7 LYS HE2 1 1 20 5259 1 1 7 LYS HE3 H 13.734 -2.264 -6.393 1.00 . A A . 7 LYS HE3 1 1 20 5260 1 1 7 LYS HG2 H 11.919 -2.168 -4.582 1.00 . A A . 7 LYS HG2 1 1 20 5261 1 1 7 LYS HG3 H 13.078 -0.841 -4.501 1.00 . A A . 7 LYS HG3 1 1 20 5262 1 1 7 LYS HZ1 H 16.134 -1.728 -6.699 1.00 . A A . 7 LYS HZ1 1 1 20 5263 1 1 7 LYS HZ2 H 16.349 -1.932 -5.034 1.00 . A A . 7 LYS HZ2 1 1 20 5264 1 1 7 LYS HZ3 H 15.329 -0.714 -5.611 1.00 . A A . 7 LYS HZ3 1 1 20 5265 1 1 7 LYS N N 10.902 -3.439 -2.199 1.00 . A A . 7 LYS N 1 1 20 5266 1 1 7 LYS NZ N 15.662 -1.685 -5.774 1.00 . A A . 7 LYS NZ 1 1 20 5267 1 1 7 LYS O O 12.876 -3.707 0.306 1.00 . A A . 7 LYS O 1 1 20 5268 1 1 8 ARG C C 10.846 -1.372 2.225 1.00 . A A . 8 ARG C 1 1 20 5269 1 1 8 ARG CA C 12.206 -1.315 1.535 1.00 . A A . 8 ARG CA 1 1 20 5270 1 1 8 ARG CB C 12.834 0.065 1.737 1.00 . A A . 8 ARG CB 1 1 20 5271 1 1 8 ARG CD C 14.748 1.614 1.230 1.00 . A A . 8 ARG CD 1 1 20 5272 1 1 8 ARG CG C 14.244 0.179 1.183 1.00 . A A . 8 ARG CG 1 1 20 5273 1 1 8 ARG CZ C 16.892 2.800 1.422 1.00 . A A . 8 ARG CZ 1 1 20 5274 1 1 8 ARG H H 11.731 -0.921 -0.489 1.00 . A A . 8 ARG H 1 1 20 5275 1 1 8 ARG HA H 12.850 -2.062 1.973 1.00 . A A . 8 ARG HA 1 1 20 5276 1 1 8 ARG HB2 H 12.217 0.804 1.247 1.00 . A A . 8 ARG HB2 1 1 20 5277 1 1 8 ARG HB3 H 12.868 0.280 2.795 1.00 . A A . 8 ARG HB3 1 1 20 5278 1 1 8 ARG HD2 H 14.355 2.147 0.377 1.00 . A A . 8 ARG HD2 1 1 20 5279 1 1 8 ARG HD3 H 14.391 2.076 2.138 1.00 . A A . 8 ARG HD3 1 1 20 5280 1 1 8 ARG HE H 16.696 0.858 1.010 1.00 . A A . 8 ARG HE 1 1 20 5281 1 1 8 ARG HG2 H 14.905 -0.441 1.772 1.00 . A A . 8 ARG HG2 1 1 20 5282 1 1 8 ARG HG3 H 14.247 -0.161 0.158 1.00 . A A . 8 ARG HG3 1 1 20 5283 1 1 8 ARG HH11 H 15.257 3.947 1.719 1.00 . A A . 8 ARG HH11 1 1 20 5284 1 1 8 ARG HH12 H 16.775 4.771 1.852 1.00 . A A . 8 ARG HH12 1 1 20 5285 1 1 8 ARG HH21 H 18.734 3.623 1.545 1.00 . A A . 8 ARG HH21 1 1 20 5286 1 1 8 ARG HH22 H 18.702 1.931 1.182 1.00 . A A . 8 ARG HH22 1 1 20 5287 1 1 8 ARG N N 12.080 -1.611 0.113 1.00 . A A . 8 ARG N 1 1 20 5288 1 1 8 ARG NE N 16.206 1.684 1.202 1.00 . A A . 8 ARG NE 1 1 20 5289 1 1 8 ARG NH1 N 16.256 3.933 1.685 1.00 . A A . 8 ARG NH1 1 1 20 5290 1 1 8 ARG NH2 N 18.219 2.783 1.379 1.00 . A A . 8 ARG NH2 1 1 20 5291 1 1 8 ARG O O 10.205 -2.422 2.270 1.00 . A A . 8 ARG O 1 1 20 5292 1 1 9 LYS C C 8.277 0.975 2.879 1.00 . A A . 9 LYS C 1 1 20 5293 1 1 9 LYS CA C 9.127 -0.156 3.447 1.00 . A A . 9 LYS CA 1 1 20 5294 1 1 9 LYS CB C 9.341 0.057 4.948 1.00 . A A . 9 LYS CB 1 1 20 5295 1 1 9 LYS CD C 11.465 -0.340 6.230 1.00 . A A . 9 LYS CD 1 1 20 5296 1 1 9 LYS CE C 11.278 -0.173 7.730 1.00 . A A . 9 LYS CE 1 1 20 5297 1 1 9 LYS CG C 10.247 -0.983 5.586 1.00 . A A . 9 LYS CG 1 1 20 5298 1 1 9 LYS H H 10.968 0.568 2.692 1.00 . A A . 9 LYS H 1 1 20 5299 1 1 9 LYS HA H 8.610 -1.091 3.295 1.00 . A A . 9 LYS HA 1 1 20 5300 1 1 9 LYS HB2 H 9.781 1.031 5.102 1.00 . A A . 9 LYS HB2 1 1 20 5301 1 1 9 LYS HB3 H 8.382 0.021 5.444 1.00 . A A . 9 LYS HB3 1 1 20 5302 1 1 9 LYS HD2 H 12.326 -0.966 6.054 1.00 . A A . 9 LYS HD2 1 1 20 5303 1 1 9 LYS HD3 H 11.625 0.632 5.785 1.00 . A A . 9 LYS HD3 1 1 20 5304 1 1 9 LYS HE2 H 12.043 0.492 8.103 1.00 . A A . 9 LYS HE2 1 1 20 5305 1 1 9 LYS HE3 H 10.305 0.259 7.913 1.00 . A A . 9 LYS HE3 1 1 20 5306 1 1 9 LYS HG2 H 9.692 -1.515 6.343 1.00 . A A . 9 LYS HG2 1 1 20 5307 1 1 9 LYS HG3 H 10.577 -1.676 4.826 1.00 . A A . 9 LYS HG3 1 1 20 5308 1 1 9 LYS HZ1 H 11.899 -2.163 7.874 1.00 . A A . 9 LYS HZ1 1 1 20 5309 1 1 9 LYS HZ2 H 10.422 -1.849 8.637 1.00 . A A . 9 LYS HZ2 1 1 20 5310 1 1 9 LYS HZ3 H 11.868 -1.346 9.355 1.00 . A A . 9 LYS HZ3 1 1 20 5311 1 1 9 LYS N N 10.412 -0.237 2.761 1.00 . A A . 9 LYS N 1 1 20 5312 1 1 9 LYS NZ N 11.374 -1.474 8.450 1.00 . A A . 9 LYS NZ 1 1 20 5313 1 1 9 LYS O O 7.161 0.750 2.410 1.00 . A A . 9 LYS O 1 1 20 5314 1 1 10 CYS C C 8.170 3.411 0.889 1.00 . A A . 10 CYS C 1 1 20 5315 1 1 10 CYS CA C 8.101 3.357 2.411 1.00 . A A . 10 CYS CA 1 1 20 5316 1 1 10 CYS CB C 8.686 4.638 3.007 1.00 . A A . 10 CYS CB 1 1 20 5317 1 1 10 CYS H H 9.705 2.306 3.308 1.00 . A A . 10 CYS H 1 1 20 5318 1 1 10 CYS HA H 7.068 3.271 2.708 1.00 . A A . 10 CYS HA 1 1 20 5319 1 1 10 CYS HB2 H 9.629 4.408 3.481 1.00 . A A . 10 CYS HB2 1 1 20 5320 1 1 10 CYS HB3 H 8.855 5.351 2.212 1.00 . A A . 10 CYS HB3 1 1 20 5321 1 1 10 CYS HG H 8.315 5.516 5.371 1.00 . A A . 10 CYS HG 1 1 20 5322 1 1 10 CYS N N 8.811 2.191 2.922 1.00 . A A . 10 CYS N 1 1 20 5323 1 1 10 CYS O O 7.157 3.350 0.193 1.00 . A A . 10 CYS O 1 1 20 5324 1 1 10 CYS SG S 7.629 5.427 4.243 1.00 . A A . 10 CYS SG 1 1 20 5325 1 1 11 PRO C C 9.350 2.270 -1.784 1.00 . A A . 11 PRO C 1 1 20 5326 1 1 11 PRO CA C 9.627 3.599 -1.090 1.00 . A A . 11 PRO CA 1 1 20 5327 1 1 11 PRO CB C 11.112 3.957 -1.195 1.00 . A A . 11 PRO CB 1 1 20 5328 1 1 11 PRO CD C 10.649 3.611 1.125 1.00 . A A . 11 PRO CD 1 1 20 5329 1 1 11 PRO CG C 11.713 3.457 0.073 1.00 . A A . 11 PRO CG 1 1 20 5330 1 1 11 PRO HA H 9.035 4.375 -1.552 1.00 . A A . 11 PRO HA 1 1 20 5331 1 1 11 PRO HB2 H 11.543 3.467 -2.058 1.00 . A A . 11 PRO HB2 1 1 20 5332 1 1 11 PRO HB3 H 11.222 5.026 -1.289 1.00 . A A . 11 PRO HB3 1 1 20 5333 1 1 11 PRO HD2 H 10.712 2.809 1.844 1.00 . A A . 11 PRO HD2 1 1 20 5334 1 1 11 PRO HD3 H 10.740 4.569 1.615 1.00 . A A . 11 PRO HD3 1 1 20 5335 1 1 11 PRO HG2 H 11.986 2.418 -0.035 1.00 . A A . 11 PRO HG2 1 1 20 5336 1 1 11 PRO HG3 H 12.579 4.049 0.327 1.00 . A A . 11 PRO HG3 1 1 20 5337 1 1 11 PRO N N 9.396 3.532 0.355 1.00 . A A . 11 PRO N 1 1 20 5338 1 1 11 PRO O O 9.717 1.206 -1.281 1.00 . A A . 11 PRO O 1 1 20 5339 1 1 12 LEU C C 9.417 0.879 -4.786 1.00 . A A . 12 LEU C 1 1 20 5340 1 1 12 LEU CA C 8.373 1.137 -3.705 1.00 . A A . 12 LEU CA 1 1 20 5341 1 1 12 LEU CB C 6.988 1.274 -4.338 1.00 . A A . 12 LEU CB 1 1 20 5342 1 1 12 LEU CD1 C 4.630 1.781 -3.656 1.00 . A A . 12 LEU CD1 1 1 20 5343 1 1 12 LEU CD2 C 5.403 -0.593 -3.805 1.00 . A A . 12 LEU CD2 1 1 20 5344 1 1 12 LEU CG C 5.807 0.836 -3.472 1.00 . A A . 12 LEU CG 1 1 20 5345 1 1 12 LEU H H 8.434 3.211 -3.290 1.00 . A A . 12 LEU H 1 1 20 5346 1 1 12 LEU HA H 8.366 0.301 -3.022 1.00 . A A . 12 LEU HA 1 1 20 5347 1 1 12 LEU HB2 H 6.843 2.312 -4.594 1.00 . A A . 12 LEU HB2 1 1 20 5348 1 1 12 LEU HB3 H 6.978 0.678 -5.240 1.00 . A A . 12 LEU HB3 1 1 20 5349 1 1 12 LEU HD11 H 4.165 1.967 -2.699 1.00 . A A . 12 LEU HD11 1 1 20 5350 1 1 12 LEU HD12 H 3.910 1.335 -4.325 1.00 . A A . 12 LEU HD12 1 1 20 5351 1 1 12 LEU HD13 H 4.980 2.714 -4.074 1.00 . A A . 12 LEU HD13 1 1 20 5352 1 1 12 LEU HD21 H 4.984 -0.626 -4.800 1.00 . A A . 12 LEU HD21 1 1 20 5353 1 1 12 LEU HD22 H 4.665 -0.933 -3.092 1.00 . A A . 12 LEU HD22 1 1 20 5354 1 1 12 LEU HD23 H 6.270 -1.234 -3.758 1.00 . A A . 12 LEU HD23 1 1 20 5355 1 1 12 LEU HG H 6.101 0.867 -2.431 1.00 . A A . 12 LEU HG 1 1 20 5356 1 1 12 LEU N N 8.700 2.336 -2.941 1.00 . A A . 12 LEU N 1 1 20 5357 1 1 12 LEU O O 10.496 0.355 -4.511 1.00 . A A . 12 LEU O 1 1 20 5358 1 1 13 PHE C C 10.777 2.342 -7.434 1.00 . A A . 13 PHE C 1 1 20 5359 1 1 13 PHE CA C 9.999 1.063 -7.143 1.00 . A A . 13 PHE CA 1 1 20 5360 1 1 13 PHE CB C 9.221 0.631 -8.388 1.00 . A A . 13 PHE CB 1 1 20 5361 1 1 13 PHE CD1 C 7.474 -0.873 -7.397 1.00 . A A . 13 PHE CD1 1 1 20 5362 1 1 13 PHE CD2 C 9.016 -1.803 -8.962 1.00 . A A . 13 PHE CD2 1 1 20 5363 1 1 13 PHE CE1 C 6.861 -2.105 -7.264 1.00 . A A . 13 PHE CE1 1 1 20 5364 1 1 13 PHE CE2 C 8.406 -3.037 -8.833 1.00 . A A . 13 PHE CE2 1 1 20 5365 1 1 13 PHE CG C 8.557 -0.708 -8.246 1.00 . A A . 13 PHE CG 1 1 20 5366 1 1 13 PHE CZ C 7.328 -3.188 -7.983 1.00 . A A . 13 PHE CZ 1 1 20 5367 1 1 13 PHE H H 8.213 1.664 -6.176 1.00 . A A . 13 PHE H 1 1 20 5368 1 1 13 PHE HA H 10.696 0.284 -6.876 1.00 . A A . 13 PHE HA 1 1 20 5369 1 1 13 PHE HB2 H 8.453 1.361 -8.595 1.00 . A A . 13 PHE HB2 1 1 20 5370 1 1 13 PHE HB3 H 9.899 0.580 -9.227 1.00 . A A . 13 PHE HB3 1 1 20 5371 1 1 13 PHE HD1 H 7.109 -0.026 -6.834 1.00 . A A . 13 PHE HD1 1 1 20 5372 1 1 13 PHE HD2 H 9.858 -1.686 -9.626 1.00 . A A . 13 PHE HD2 1 1 20 5373 1 1 13 PHE HE1 H 6.018 -2.219 -6.598 1.00 . A A . 13 PHE HE1 1 1 20 5374 1 1 13 PHE HE2 H 8.773 -3.882 -9.396 1.00 . A A . 13 PHE HE2 1 1 20 5375 1 1 13 PHE HZ H 6.849 -4.150 -7.881 1.00 . A A . 13 PHE HZ 1 1 20 5376 1 1 13 PHE N N 9.088 1.252 -6.019 1.00 . A A . 13 PHE N 1 1 20 5377 1 1 13 PHE O O 11.646 2.742 -6.660 1.00 . A A . 13 PHE O 1 1 20 5378 1 1 14 GLY C C 10.177 5.358 -9.146 1.00 . A A . 14 GLY C 1 1 20 5379 1 1 14 GLY CA C 11.137 4.207 -8.931 1.00 . A A . 14 GLY CA 1 1 20 5380 1 1 14 GLY H H 9.757 2.614 -9.135 1.00 . A A . 14 GLY H 1 1 20 5381 1 1 14 GLY HA2 H 11.833 4.473 -8.149 1.00 . A A . 14 GLY HA2 1 1 20 5382 1 1 14 GLY HA3 H 11.687 4.035 -9.845 1.00 . A A . 14 GLY HA3 1 1 20 5383 1 1 14 GLY N N 10.458 2.980 -8.557 1.00 . A A . 14 GLY N 1 1 20 5384 1 1 14 GLY O O 10.479 6.301 -9.880 1.00 . A A . 14 GLY O 1 1 20 5385 1 1 15 LYS C C 7.676 6.934 -7.269 1.00 . A A . 15 LYS C 1 1 20 5386 1 1 15 LYS CA C 8.004 6.329 -8.631 1.00 . A A . 15 LYS CA 1 1 20 5387 1 1 15 LYS CB C 6.734 5.764 -9.270 1.00 . A A . 15 LYS CB 1 1 20 5388 1 1 15 LYS CD C 6.656 3.344 -8.604 1.00 . A A . 15 LYS CD 1 1 20 5389 1 1 15 LYS CE C 5.963 2.079 -9.088 1.00 . A A . 15 LYS CE 1 1 20 5390 1 1 15 LYS CG C 6.876 4.328 -9.741 1.00 . A A . 15 LYS CG 1 1 20 5391 1 1 15 LYS H H 8.831 4.509 -7.936 1.00 . A A . 15 LYS H 1 1 20 5392 1 1 15 LYS HA H 8.404 7.103 -9.268 1.00 . A A . 15 LYS HA 1 1 20 5393 1 1 15 LYS HB2 H 5.932 5.807 -8.547 1.00 . A A . 15 LYS HB2 1 1 20 5394 1 1 15 LYS HB3 H 6.471 6.376 -10.121 1.00 . A A . 15 LYS HB3 1 1 20 5395 1 1 15 LYS HD2 H 7.612 3.077 -8.180 1.00 . A A . 15 LYS HD2 1 1 20 5396 1 1 15 LYS HD3 H 6.043 3.812 -7.848 1.00 . A A . 15 LYS HD3 1 1 20 5397 1 1 15 LYS HE2 H 5.983 1.348 -8.295 1.00 . A A . 15 LYS HE2 1 1 20 5398 1 1 15 LYS HE3 H 4.940 2.317 -9.334 1.00 . A A . 15 LYS HE3 1 1 20 5399 1 1 15 LYS HG2 H 6.147 4.138 -10.514 1.00 . A A . 15 LYS HG2 1 1 20 5400 1 1 15 LYS HG3 H 7.872 4.186 -10.140 1.00 . A A . 15 LYS HG3 1 1 20 5401 1 1 15 LYS HZ1 H 7.579 1.919 -10.404 1.00 . A A . 15 LYS HZ1 1 1 20 5402 1 1 15 LYS HZ2 H 6.070 1.714 -11.142 1.00 . A A . 15 LYS HZ2 1 1 20 5403 1 1 15 LYS HZ3 H 6.721 0.476 -10.192 1.00 . A A . 15 LYS HZ3 1 1 20 5404 1 1 15 LYS N N 9.014 5.285 -8.507 1.00 . A A . 15 LYS N 1 1 20 5405 1 1 15 LYS NZ N 6.630 1.506 -10.291 1.00 . A A . 15 LYS NZ 1 1 20 5406 1 1 15 LYS O O 8.124 8.031 -6.943 1.00 . A A . 15 LYS O 1 1 20 5407 1 1 16 GLY C C 6.912 5.726 -4.059 1.00 . A A . 16 GLY C 1 1 20 5408 1 1 16 GLY CA C 6.518 6.689 -5.161 1.00 . A A . 16 GLY CA 1 1 20 5409 1 1 16 GLY H H 6.563 5.340 -6.793 1.00 . A A . 16 GLY H 1 1 20 5410 1 1 16 GLY HA2 H 7.000 7.638 -4.986 1.00 . A A . 16 GLY HA2 1 1 20 5411 1 1 16 GLY HA3 H 5.447 6.830 -5.133 1.00 . A A . 16 GLY HA3 1 1 20 5412 1 1 16 GLY N N 6.891 6.207 -6.479 1.00 . A A . 16 GLY N 1 1 20 5413 1 1 16 GLY O O 8.097 5.515 -3.806 1.00 . A A . 16 GLY O 1 1 20 5414 1 1 17 GLY C C 4.989 4.001 -1.419 1.00 . A A . 17 GLY C 1 1 20 5415 1 1 17 GLY CA C 6.187 4.205 -2.326 1.00 . A A . 17 GLY CA 1 1 20 5416 1 1 17 GLY H H 4.991 5.348 -3.646 1.00 . A A . 17 GLY H 1 1 20 5417 1 1 17 GLY HA2 H 6.467 3.254 -2.753 1.00 . A A . 17 GLY HA2 1 1 20 5418 1 1 17 GLY HA3 H 7.011 4.579 -1.736 1.00 . A A . 17 GLY HA3 1 1 20 5419 1 1 17 GLY N N 5.916 5.142 -3.400 1.00 . A A . 17 GLY N 1 1 20 5420 1 1 17 GLY O O 3.847 4.178 -1.840 1.00 . A A . 17 GLY O 1 1 stop_ save_
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