NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
566204 | 2m7j | 19192 | cing | 4-filtered-FRED | STAR | entry | full | 81 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2m7j # This FRED archive file contains, for PDB entry <2m7j>: # # - 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_2m7j _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2m7j _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 1812.28 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 $beta_Hairpin_Peptidomimetic_Antibiotic_TWLKKRRWKKAK_DPR_P A . 1 1 stop_ save_ save_beta_Hairpin_Peptidomimetic_Antibiotic_TWLKKRRWKKAK_DPR_P _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "beta Hairpin Peptidomimetic Antibiotic TWLKKRRWKKAK DPR P" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code TWLKKRRWKKAKXP _Entity.Number_of_monomers 14 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 THR . 1 1 2 TRP . 1 1 3 LEU . 1 1 4 LYS . 1 1 5 LYS . 1 1 6 ARG . 1 1 7 ARG . 1 1 8 TRP . 1 1 9 LYS . 1 1 10 LYS . 1 1 11 ALA . 1 1 12 LYS . 1 1 13 DPR $DPR 1 1 14 PRO . 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 THR 1 1 1 1 TRP 2 2 1 1 LEU 3 3 1 1 LYS 4 4 1 1 LYS 5 5 1 1 ARG 6 6 1 1 ARG 7 7 1 1 TRP 8 8 1 1 LYS 9 9 1 1 LYS 10 10 1 1 ALA 11 11 1 1 LYS 12 12 1 1 DPR 13 13 1 1 PRO 14 14 1 1 stop_ save_ save_DPR _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID DPR _Chem_comp.Type non-polymer save_ save_DYANA/DIANA_distance_constraints_2_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 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 1 THR H1 . 1 THR HN 1 1 1 1 2 1 1 1 THR HB . 1 THR HB 1 1 2 1 1 1 1 1 THR H1 . 1 THR HN 1 1 2 1 2 1 1 14 PRO HA . 14 PRO HA 1 1 3 1 1 1 1 1 THR H1 . 1 THR HN 1 1 3 1 2 1 1 14 PRO HB2 . 14 PRO HB2 1 1 4 1 1 1 1 1 THR H1 . 1 THR HN 1 1 4 1 2 1 1 14 PRO QB . 14 PRO QB 1 1 5 1 1 1 1 1 THR H1 . 1 THR HN 1 1 5 1 2 1 1 14 PRO HB3 . 14 PRO HB3 1 1 6 1 1 1 1 1 THR H1 . 1 THR HN 1 1 6 1 2 1 1 14 PRO HD2 . 14 PRO HD2 1 1 7 1 1 1 1 1 THR H1 . 1 THR HN 1 1 7 1 2 1 1 14 PRO QD . 14 PRO QD 1 1 8 1 1 1 1 1 THR H1 . 1 THR HN 1 1 8 1 2 1 1 14 PRO HD3 . 14 PRO HD3 1 1 9 1 1 1 1 1 THR H1 . 1 THR HN 1 1 9 1 2 1 1 14 PRO HG2 . 14 PRO HG2 1 1 10 1 1 1 1 1 THR H1 . 1 THR HN 1 1 10 1 2 1 1 14 PRO QG . 14 PRO QG 1 1 11 1 1 1 1 1 THR H1 . 1 THR HN 1 1 11 1 2 1 1 14 PRO HG3 . 14 PRO HG3 1 1 12 1 1 1 1 1 THR HA . 1 THR HA 1 1 12 1 2 1 1 1 THR HB . 1 THR HB 1 1 13 1 1 1 1 1 THR HA . 1 THR HA 1 1 13 1 2 1 1 2 TRP H . 2 TRP HN 1 1 14 1 1 1 1 1 THR HB . 1 THR HB 1 1 14 1 2 1 1 2 TRP H . 2 TRP HN 1 1 15 1 1 1 1 1 THR MG . 1 THR QG2 1 1 15 1 2 1 1 2 TRP HD1 . 2 TRP HD1 1 1 16 1 1 1 1 2 TRP H . 2 TRP HN 1 1 16 1 2 1 1 2 TRP HB2 . 2 TRP HB2 1 1 17 1 1 1 1 2 TRP H . 2 TRP HN 1 1 17 1 2 1 1 2 TRP QB . 2 TRP QB 1 1 18 1 1 1 1 2 TRP H . 2 TRP HN 1 1 18 1 2 1 1 2 TRP HB3 . 2 TRP HB3 1 1 19 1 1 1 1 2 TRP H . 2 TRP HN 1 1 19 1 2 1 1 2 TRP HD1 . 2 TRP HD1 1 1 20 1 1 1 1 2 TRP HA . 2 TRP HA 1 1 20 1 2 1 1 2 TRP HE3 . 2 TRP HE3 1 1 21 1 1 1 1 2 TRP HA . 2 TRP HA 1 1 21 1 2 1 1 11 ALA HA . 11 ALA HA 1 1 22 1 1 1 1 2 TRP QB . 2 TRP QB 1 1 22 1 2 1 1 3 LEU H . 3 LEU HN 1 1 23 1 1 1 1 2 TRP HB2 . 2 TRP HB2 1 1 23 1 2 1 1 3 LEU H . 3 LEU HN 1 1 24 1 1 1 1 2 TRP HB2 . 2 TRP HB2 1 1 24 1 2 1 1 11 ALA MB . 11 ALA QB 1 1 25 1 1 1 1 2 TRP HB3 . 2 TRP HB3 1 1 25 1 2 1 1 3 LEU H . 3 LEU HN 1 1 26 1 1 1 1 2 TRP HB3 . 2 TRP HB3 1 1 26 1 2 1 1 11 ALA MB . 11 ALA QB 1 1 27 1 1 1 1 2 TRP HD1 . 2 TRP HD1 1 1 27 1 2 1 1 11 ALA HA . 11 ALA HA 1 1 28 1 1 1 1 2 TRP HD1 . 2 TRP HD1 1 1 28 1 2 1 1 11 ALA MB . 11 ALA QB 1 1 29 1 1 1 1 2 TRP HE3 . 2 TRP HE3 1 1 29 1 2 1 1 9 LYS QB . 9 LYS+ QB 1 1 30 1 1 1 1 2 TRP HE3 . 2 TRP HE3 1 1 30 1 2 1 1 9 LYS QG . 9 LYS+ QG 1 1 31 1 1 1 1 2 TRP HE3 . 2 TRP HE3 1 1 31 1 2 1 1 11 ALA HA . 11 ALA HA 1 1 32 1 1 1 1 2 TRP HE3 . 2 TRP HE3 1 1 32 1 2 1 1 11 ALA MB . 11 ALA QB 1 1 33 1 1 1 1 2 TRP HH2 . 2 TRP HH2 1 1 33 1 2 1 1 9 LYS QE . 9 LYS+ QE 1 1 34 1 1 1 1 2 TRP HZ3 . 2 TRP HZ3 1 1 34 1 2 1 1 9 LYS QG . 9 LYS+ QG 1 1 35 1 1 1 1 3 LEU H . 3 LEU HN 1 1 35 1 2 1 1 3 LEU HG . 3 LEU HG 1 1 36 1 1 1 1 3 LEU HA . 3 LEU HA 1 1 36 1 2 1 1 3 LEU HG . 3 LEU HG 1 1 37 1 1 1 1 3 LEU QB . 3 LEU QB 1 1 37 1 2 1 1 4 LYS H . 4 LYS+ HN 1 1 38 1 1 1 1 3 LEU MD1 . 3 LEU QD1 1 1 38 1 2 1 1 4 LYS H . 4 LYS+ HN 1 1 39 1 1 1 1 3 LEU MD2 . 3 LEU QD2 1 1 39 1 2 1 1 4 LYS H . 4 LYS+ HN 1 1 40 1 1 1 1 4 LYS HA . 4 LYS+ HA 1 1 40 1 2 1 1 8 TRP HD1 . 8 TRP HD1 1 1 41 1 1 1 1 4 LYS HA . 4 LYS+ HA 1 1 41 1 2 1 1 8 TRP HE3 . 8 TRP HE3 1 1 42 1 1 1 1 4 LYS HA . 4 LYS+ HA 1 1 42 1 2 1 1 9 LYS HA . 9 LYS+ HA 1 1 43 1 1 1 1 6 ARG HA . 6 ARG HA 1 1 43 1 2 1 1 7 ARG H . 7 ARG+ HN 1 1 44 1 1 1 1 6 ARG HA . 6 ARG HA 1 1 44 1 2 1 1 8 TRP HE3 . 8 TRP HE3 1 1 45 1 1 1 1 7 ARG H . 7 ARG+ HN 1 1 45 1 2 1 1 8 TRP H . 8 TRP HN 1 1 46 1 1 1 1 7 ARG HA . 7 ARG+ HA 1 1 46 1 2 1 1 7 ARG HG2 . 7 ARG+ HG2 1 1 47 1 1 1 1 7 ARG HA . 7 ARG+ HA 1 1 47 1 2 1 1 7 ARG HG3 . 7 ARG+ HG3 1 1 48 1 1 1 1 7 ARG HA . 7 ARG+ HA 1 1 48 1 2 1 1 8 TRP H . 8 TRP HN 1 1 49 1 1 1 1 7 ARG QB . 7 ARG+ HB2 1 1 49 1 2 1 1 8 TRP H . 8 TRP HN 1 1 50 1 1 1 1 7 ARG QB . 7 ARG+ HB2 1 1 50 1 2 1 1 8 TRP HD1 . 8 TRP HD1 1 1 51 1 1 1 1 7 ARG QG . 7 ARG+ QG 1 1 51 1 2 1 1 8 TRP H . 8 TRP HN 1 1 52 1 1 1 1 7 ARG HG2 . 7 ARG+ HG2 1 1 52 1 2 1 1 8 TRP H . 8 TRP HN 1 1 53 1 1 1 1 7 ARG HG3 . 7 ARG+ HG3 1 1 53 1 2 1 1 8 TRP H . 8 TRP HN 1 1 54 1 1 1 1 8 TRP H . 8 TRP HN 1 1 54 1 2 1 1 8 TRP HB2 . 8 TRP HB2 1 1 55 1 1 1 1 8 TRP H . 8 TRP HN 1 1 55 1 2 1 1 8 TRP QB . 8 TRP QB 1 1 56 1 1 1 1 8 TRP H . 8 TRP HN 1 1 56 1 2 1 1 8 TRP HB3 . 8 TRP HB3 1 1 57 1 1 1 1 8 TRP HA . 8 TRP HA 1 1 57 1 2 1 1 8 TRP HD1 . 8 TRP HD1 1 1 58 1 1 1 1 8 TRP HA . 8 TRP HA 1 1 58 1 2 1 1 8 TRP HE3 . 8 TRP HE3 1 1 59 1 1 1 1 8 TRP QB . 8 TRP QB 1 1 59 1 2 1 1 9 LYS H . 9 LYS+ HN 1 1 60 1 1 1 1 8 TRP QB . 8 TRP QB 1 1 60 1 2 1 1 10 LYS H . 10 LYS+ HN 1 1 61 1 1 1 1 8 TRP HB2 . 8 TRP HB2 1 1 61 1 2 1 1 8 TRP HE3 . 8 TRP HE3 1 1 62 1 1 1 1 8 TRP HB2 . 8 TRP HB2 1 1 62 1 2 1 1 9 LYS H . 9 LYS+ HN 1 1 63 1 1 1 1 8 TRP HB3 . 8 TRP HB3 1 1 63 1 2 1 1 8 TRP HE3 . 8 TRP HE3 1 1 64 1 1 1 1 8 TRP HB3 . 8 TRP HB3 1 1 64 1 2 1 1 9 LYS H . 9 LYS+ HN 1 1 65 1 1 1 1 8 TRP HE3 . 8 TRP HE3 1 1 65 1 2 1 1 9 LYS HA . 9 LYS+ HA 1 1 66 1 1 1 1 9 LYS H . 9 LYS+ HN 1 1 66 1 2 1 1 9 LYS HB2 . 9 LYS+ HB2 1 1 67 1 1 1 1 9 LYS H . 9 LYS+ HN 1 1 67 1 2 1 1 9 LYS QB . 9 LYS+ QB 1 1 68 1 1 1 1 9 LYS H . 9 LYS+ HN 1 1 68 1 2 1 1 9 LYS HB3 . 9 LYS+ HB3 1 1 69 1 1 1 1 9 LYS HA . 9 LYS+ HA 1 1 69 1 2 1 1 10 LYS H . 10 LYS+ HN 1 1 70 1 1 1 1 10 LYS H . 10 LYS+ HN 1 1 70 1 2 1 1 10 LYS HB2 . 10 LYS+ HB2 1 1 71 1 1 1 1 10 LYS H . 10 LYS+ HN 1 1 71 1 2 1 1 10 LYS HB3 . 10 LYS+ HB3 1 1 72 1 1 1 1 12 LYS H . 12 LYS+ HN 1 1 72 1 2 1 1 12 LYS HB2 . 12 LYS+ HB2 1 1 73 1 1 1 1 12 LYS H . 12 LYS+ HN 1 1 73 1 2 1 1 12 LYS HB3 . 12 LYS+ HB3 1 1 74 1 1 1 1 12 LYS H . 12 LYS+ HN 1 1 74 1 2 1 1 12 LYS HG2 . 12 LYS+ HG2 1 1 75 1 1 1 1 12 LYS H . 12 LYS+ HN 1 1 75 1 2 1 1 12 LYS QG . 12 LYS+ QG 1 1 76 1 1 1 1 12 LYS H . 12 LYS+ HN 1 1 76 1 2 1 1 12 LYS HG3 . 12 LYS+ HG3 1 1 77 1 1 1 1 12 LYS HA . 12 LYS+ HA 1 1 77 1 2 1 1 13 DPR HD2 . 13 DPR HD2 1 1 78 1 1 1 1 12 LYS HA . 12 LYS+ HA 1 1 78 1 2 1 1 13 DPR HD3 . 13 DPR HD3 1 1 79 1 1 1 1 13 DPR HA . 13 DPR HA 1 1 79 1 2 1 1 14 PRO HD2 . 14 PRO HD2 1 1 80 1 1 1 1 13 DPR HA . 13 DPR HA 1 1 80 1 2 1 1 14 PRO QD . 14 PRO QD 1 1 81 1 1 1 1 13 DPR HA . 13 DPR HA 1 1 81 1 2 1 1 14 PRO HD3 . 14 PRO HD3 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 . . . . . . . 3.33 1 1 2 1 . . . . . . . 3.17 1 1 3 1 . . . . . . . 5.5 1 1 4 1 . . . . . . . 4.71 1 1 5 1 . . . . . . . 5.5 1 1 6 1 . . . . . . . 5.5 1 1 7 1 . . . . . . . 5.12 1 1 8 1 . . . . . . . 4.88 1 1 9 1 . . . . . . . 4.63 1 1 10 1 . . . . . . . 4.33 1 1 11 1 . . . . . . . 4.63 1 1 12 1 . . . . . . . 2.4 1 1 13 1 . . . . . . . 3.2 1 1 14 1 . . . . . . . 3.6 1 1 15 1 . . . . . . . 6.03 1 1 16 1 . . . . . . . 3.24 1 1 17 1 . . . . . . . 3.05 1 1 18 1 . . . . . . . 3.24 1 1 19 1 . . . . . . . 5.04 1 1 20 1 . . . . . . . 5.25 1 1 21 1 . . . . . . . 3.89 1 1 22 1 . . . . . . . 3.6 1 1 23 1 . . . . . . . 3.83 1 1 24 1 . . . . . . . 6.53 1 1 25 1 . . . . . . . 3.83 1 1 26 1 . . . . . . . 6.53 1 1 27 1 . . . . . . . 5.0 1 1 28 1 . . . . . . . 6.53 1 1 29 1 . . . . . . . 6.13 1 1 30 1 . . . . . . . 6.38 1 1 31 1 . . . . . . . 5.28 1 1 32 1 . . . . . . . 6.5 1 1 33 1 . . . . . . . 6.38 1 1 34 1 . . . . . . . 6.38 1 1 35 1 . . . . . . . 4.32 1 1 36 1 . . . . . . . 2.9 1 1 37 1 . . . . . . . 4.7 1 1 38 1 . . . . . . . 6.53 1 1 39 1 . . . . . . . 6.53 1 1 40 1 . . . . . . . 5.8 1 1 41 1 . . . . . . . 5.8 1 1 42 1 . . . . . . . 3.67 1 1 43 1 . . . . . . . 3.3 1 1 44 1 . . . . . . . 5.07 1 1 45 1 . . . . . . . 3.52 1 1 46 1 . . . . . . . 4.2 1 1 47 1 . . . . . . . 4.2 1 1 48 1 . . . . . . . 3.3 1 1 49 1 . . . . . . . 3.45 1 1 50 1 . . . . . . . 5.35 1 1 51 1 . . . . . . . 5.12 1 1 52 1 . . . . . . . 5.44 1 1 53 1 . . . . . . . 5.44 1 1 54 1 . . . . . . . 3.48 1 1 55 1 . . . . . . . 3.25 1 1 56 1 . . . . . . . 3.48 1 1 57 1 . . . . . . . 4.97 1 1 58 1 . . . . . . . 5.1 1 1 59 1 . . . . . . . 4.27 1 1 60 1 . . . . . . . 6.04 1 1 61 1 . . . . . . . 3.89 1 1 62 1 . . . . . . . 4.45 1 1 63 1 . . . . . . . 3.89 1 1 64 1 . . . . . . . 4.45 1 1 65 1 . . . . . . . 5.5 1 1 66 1 . . . . . . . 3.39 1 1 67 1 . . . . . . . 3.21 1 1 68 1 . . . . . . . 3.39 1 1 69 1 . . . . . . . 3.08 1 1 70 1 . . . . . . . 3.08 1 1 71 1 . . . . . . . 3.08 1 1 72 1 . . . . . . . 3.21 1 1 73 1 . . . . . . . 3.21 1 1 74 1 . . . . . . . 5.19 1 1 75 1 . . . . . . . 4.68 1 1 76 1 . . . . . . . 5.19 1 1 77 1 . . . . . . . 3.64 1 1 78 1 . . . . . . . 3.64 1 1 79 1 . . . . . . . 3.36 1 1 80 1 . . . . . . . 3.18 1 1 81 1 . . . . . . . 3.36 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 THR C C 5.461 -2.707 -0.277 1.00 . A A . 1 THR C 1 1 1 2 1 1 1 THR CA C 6.897 -3.169 -0.023 1.00 . A A . 1 THR CA 1 1 1 3 1 1 1 THR CB C 7.039 -4.690 0.075 1.00 . A A . 1 THR CB 1 1 1 4 1 1 1 THR CG2 C 5.961 -5.430 -0.720 1.00 . A A . 1 THR CG2 1 1 1 5 1 1 1 THR H1 H 7.008 -2.965 2.046 1.00 . A A . 1 THR H1 1 1 1 6 1 1 1 THR HA H 7.503 -2.800 -0.852 1.00 . A A . 1 THR HA 1 1 1 7 1 1 1 THR HB H 7.045 -5.013 1.116 1.00 . A A . 1 THR HB 1 1 1 8 1 1 1 THR HG1 H 8.839 -5.552 -0.068 1.00 . A A . 1 THR HG1 1 1 1 9 1 1 1 THR HG21 H 5.734 -4.874 -1.631 1.00 . A A . 1 THR HG21 1 1 1 10 1 1 1 THR HG22 H 6.323 -6.424 -0.983 1.00 . A A . 1 THR HG22 1 1 1 11 1 1 1 THR HG23 H 5.059 -5.520 -0.115 1.00 . A A . 1 THR HG23 1 1 1 12 1 1 1 THR N N 7.405 -2.590 1.209 1.00 . A A . 1 THR N 1 1 1 13 1 1 1 THR O O 4.590 -2.878 0.574 1.00 . A A . 1 THR O 1 1 1 14 1 1 1 THR OG1 O 8.245 -4.972 -0.628 1.00 . A A . 1 THR OG1 1 1 1 15 1 1 2 TRP C C 2.943 -2.786 -1.641 1.00 . A A . 2 TRP C 1 1 1 16 1 1 2 TRP CA C 3.942 -1.643 -1.830 1.00 . A A . 2 TRP CA 1 1 1 17 1 1 2 TRP CB C 3.951 -1.087 -3.255 1.00 . A A . 2 TRP CB 1 1 1 18 1 1 2 TRP CD1 C 3.421 -3.193 -4.650 1.00 . A A . 2 TRP CD1 1 1 1 19 1 1 2 TRP CD2 C 1.992 -1.535 -4.991 1.00 . A A . 2 TRP CD2 1 1 1 20 1 1 2 TRP CE2 C 1.599 -2.590 -5.790 1.00 . A A . 2 TRP CE2 1 1 1 21 1 1 2 TRP CE3 C 1.282 -0.322 -4.979 1.00 . A A . 2 TRP CE3 1 1 1 22 1 1 2 TRP CG C 3.170 -1.935 -4.260 1.00 . A A . 2 TRP CG 1 1 1 23 1 1 2 TRP CH2 C -0.238 -1.339 -6.639 1.00 . A A . 2 TRP CH2 1 1 1 24 1 1 2 TRP CZ2 C 0.484 -2.539 -6.635 1.00 . A A . 2 TRP CZ2 1 1 1 25 1 1 2 TRP CZ3 C 0.171 -0.286 -5.829 1.00 . A A . 2 TRP CZ3 1 1 1 26 1 1 2 TRP H H 5.972 -1.995 -2.141 1.00 . A A . 2 TRP H 1 1 1 27 1 1 2 TRP HA H 3.692 -0.815 -1.168 1.00 . A A . 2 TRP HA 1 1 1 28 1 1 2 TRP HB2 H 3.534 -0.080 -3.244 1.00 . A A . 2 TRP HB2 1 1 1 29 1 1 2 TRP HB3 H 4.984 -1.000 -3.594 1.00 . A A . 2 TRP HB3 1 1 1 30 1 1 2 TRP HD1 H 4.253 -3.794 -4.282 1.00 . A A . 2 TRP HD1 1 1 1 31 1 1 2 TRP HE1 H 2.473 -4.610 -6.050 1.00 . A A . 2 TRP HE1 1 1 1 32 1 1 2 TRP HE3 H 1.572 0.527 -4.359 1.00 . A A . 2 TRP HE3 1 1 1 33 1 1 2 TRP HH2 H -1.117 -1.232 -7.275 1.00 . A A . 2 TRP HH2 1 1 1 34 1 1 2 TRP HZ2 H 0.194 -3.386 -7.256 1.00 . A A . 2 TRP HZ2 1 1 1 35 1 1 2 TRP HZ3 H -0.416 0.633 -5.858 1.00 . A A . 2 TRP HZ3 1 1 1 36 1 1 2 TRP N N 5.257 -2.131 -1.453 1.00 . A A . 2 TRP N 1 1 1 37 1 1 2 TRP NE1 N 2.496 -3.630 -5.575 1.00 . A A . 2 TRP NE1 1 1 1 38 1 1 2 TRP O O 3.311 -3.870 -1.190 1.00 . A A . 2 TRP O 1 1 1 39 1 1 3 LEU C C -0.694 -2.865 -2.271 1.00 . A A . 3 LEU C 1 1 1 40 1 1 3 LEU CA C 0.641 -3.495 -1.871 1.00 . A A . 3 LEU CA 1 1 1 41 1 1 3 LEU CB C 0.638 -4.100 -0.465 1.00 . A A . 3 LEU CB 1 1 1 42 1 1 3 LEU CD1 C 2.061 -6.137 -0.891 1.00 . A A . 3 LEU CD1 1 1 1 43 1 1 3 LEU CD2 C 0.394 -6.123 1.021 1.00 . A A . 3 LEU CD2 1 1 1 44 1 1 3 LEU CG C 0.708 -5.626 -0.391 1.00 . A A . 3 LEU CG 1 1 1 45 1 1 3 LEU H H 1.406 -1.620 -2.361 1.00 . A A . 3 LEU H 1 1 1 46 1 1 3 LEU HA H 0.866 -4.302 -2.568 1.00 . A A . 3 LEU HA 1 1 1 47 1 1 3 LEU HB2 H 1.484 -3.691 0.088 1.00 . A A . 3 LEU HB2 1 1 1 48 1 1 3 LEU HB3 H -0.267 -3.773 0.048 1.00 . A A . 3 LEU HB3 1 1 1 49 1 1 3 LEU HD11 H 2.264 -5.723 -1.878 1.00 . A A . 3 LEU HD11 1 1 1 50 1 1 3 LEU HD12 H 2.844 -5.828 -0.199 1.00 . A A . 3 LEU HD12 1 1 1 51 1 1 3 LEU HD13 H 2.039 -7.226 -0.951 1.00 . A A . 3 LEU HD13 1 1 1 52 1 1 3 LEU HD21 H 0.927 -5.511 1.748 1.00 . A A . 3 LEU HD21 1 1 1 53 1 1 3 LEU HD22 H -0.678 -6.051 1.201 1.00 . A A . 3 LEU HD22 1 1 1 54 1 1 3 LEU HD23 H 0.710 -7.162 1.119 1.00 . A A . 3 LEU HD23 1 1 1 55 1 1 3 LEU HG H -0.054 -6.036 -1.054 1.00 . A A . 3 LEU HG 1 1 1 56 1 1 3 LEU N N 1.697 -2.504 -1.996 1.00 . A A . 3 LEU N 1 1 1 57 1 1 3 LEU O O -1.374 -3.362 -3.167 1.00 . A A . 3 LEU O 1 1 1 58 1 1 4 LYS C C -3.451 -2.012 -1.598 1.00 . A A . 4 LYS C 1 1 1 59 1 1 4 LYS CA C -2.270 -1.076 -1.862 1.00 . A A . 4 LYS CA 1 1 1 60 1 1 4 LYS CB C -2.253 -0.491 -3.276 1.00 . A A . 4 LYS CB 1 1 1 61 1 1 4 LYS CD C -3.494 0.953 -4.930 1.00 . A A . 4 LYS CD 1 1 1 62 1 1 4 LYS CE C -4.442 0.334 -5.959 1.00 . A A . 4 LYS CE 1 1 1 63 1 1 4 LYS CG C -3.574 0.212 -3.593 1.00 . A A . 4 LYS CG 1 1 1 64 1 1 4 LYS H H -0.469 -1.382 -0.861 1.00 . A A . 4 LYS H 1 1 1 65 1 1 4 LYS HA H -2.331 -0.238 -1.167 1.00 . A A . 4 LYS HA 1 1 1 66 1 1 4 LYS HB2 H -1.430 0.216 -3.372 1.00 . A A . 4 LYS HB2 1 1 1 67 1 1 4 LYS HB3 H -2.077 -1.285 -4.001 1.00 . A A . 4 LYS HB3 1 1 1 68 1 1 4 LYS HD2 H -3.747 2.003 -4.783 1.00 . A A . 4 LYS HD2 1 1 1 69 1 1 4 LYS HD3 H -2.471 0.922 -5.307 1.00 . A A . 4 LYS HD3 1 1 1 70 1 1 4 LYS HE2 H -3.905 -0.399 -6.561 1.00 . A A . 4 LYS HE2 1 1 1 71 1 1 4 LYS HE3 H -5.243 -0.199 -5.448 1.00 . A A . 4 LYS HE3 1 1 1 72 1 1 4 LYS HG2 H -4.381 -0.520 -3.628 1.00 . A A . 4 LYS HG2 1 1 1 73 1 1 4 LYS HG3 H -3.817 0.916 -2.798 1.00 . A A . 4 LYS HG3 1 1 1 74 1 1 4 LYS HZ1 H -5.651 0.964 -7.481 1.00 . A A . 4 LYS HZ1 1 1 1 75 1 1 4 LYS HZ2 H -5.499 2.054 -6.275 1.00 . A A . 4 LYS HZ2 1 1 1 76 1 1 4 LYS HZ3 H -4.277 1.835 -7.337 1.00 . A A . 4 LYS HZ3 1 1 1 77 1 1 4 LYS N N -1.028 -1.779 -1.588 1.00 . A A . 4 LYS N 1 1 1 78 1 1 4 LYS NZ N -5.013 1.381 -6.834 1.00 . A A . 4 LYS NZ 1 1 1 79 1 1 4 LYS O O -3.743 -2.893 -2.408 1.00 . A A . 4 LYS O 1 1 1 80 1 1 5 LYS C C -6.131 -1.810 0.873 1.00 . A A . 5 LYS C 1 1 1 81 1 1 5 LYS CA C -5.240 -2.606 -0.083 1.00 . A A . 5 LYS CA 1 1 1 82 1 1 5 LYS CB C -4.776 -3.950 0.483 1.00 . A A . 5 LYS CB 1 1 1 83 1 1 5 LYS CD C -5.153 -6.409 0.070 1.00 . A A . 5 LYS CD 1 1 1 84 1 1 5 LYS CE C -5.217 -7.205 1.374 1.00 . A A . 5 LYS CE 1 1 1 85 1 1 5 LYS CG C -5.818 -5.040 0.229 1.00 . A A . 5 LYS CG 1 1 1 86 1 1 5 LYS H H -3.853 -1.075 0.189 1.00 . A A . 5 LYS H 1 1 1 87 1 1 5 LYS HA H -5.807 -2.817 -0.989 1.00 . A A . 5 LYS HA 1 1 1 88 1 1 5 LYS HB2 H -3.828 -4.235 0.024 1.00 . A A . 5 LYS HB2 1 1 1 89 1 1 5 LYS HB3 H -4.596 -3.855 1.553 1.00 . A A . 5 LYS HB3 1 1 1 90 1 1 5 LYS HD2 H -5.647 -6.967 -0.726 1.00 . A A . 5 LYS HD2 1 1 1 91 1 1 5 LYS HD3 H -4.113 -6.278 -0.230 1.00 . A A . 5 LYS HD3 1 1 1 92 1 1 5 LYS HE2 H -4.243 -7.194 1.863 1.00 . A A . 5 LYS HE2 1 1 1 93 1 1 5 LYS HE3 H -5.924 -6.736 2.059 1.00 . A A . 5 LYS HE3 1 1 1 94 1 1 5 LYS HG2 H -6.527 -5.071 1.057 1.00 . A A . 5 LYS HG2 1 1 1 95 1 1 5 LYS HG3 H -6.388 -4.802 -0.669 1.00 . A A . 5 LYS HG3 1 1 1 96 1 1 5 LYS HZ1 H -4.817 -9.168 0.965 1.00 . A A . 5 LYS HZ1 1 1 1 97 1 1 5 LYS HZ2 H -6.145 -8.952 1.891 1.00 . A A . 5 LYS HZ2 1 1 1 98 1 1 5 LYS HZ3 H -6.203 -8.630 0.291 1.00 . A A . 5 LYS HZ3 1 1 1 99 1 1 5 LYS N N -4.098 -1.793 -0.464 1.00 . A A . 5 LYS N 1 1 1 100 1 1 5 LYS NZ N -5.629 -8.602 1.109 1.00 . A A . 5 LYS NZ 1 1 1 101 1 1 5 LYS O O -7.324 -1.644 0.623 1.00 . A A . 5 LYS O 1 1 1 102 1 1 6 ARG C C -5.383 0.606 3.430 1.00 . A A . 6 ARG C 1 1 1 103 1 1 6 ARG CA C -6.240 -0.566 2.945 1.00 . A A . 6 ARG CA 1 1 1 104 1 1 6 ARG CB C -6.628 -1.435 4.142 1.00 . A A . 6 ARG CB 1 1 1 105 1 1 6 ARG CD C -9.017 -2.223 4.314 1.00 . A A . 6 ARG CD 1 1 1 106 1 1 6 ARG CG C -8.036 -1.094 4.634 1.00 . A A . 6 ARG CG 1 1 1 107 1 1 6 ARG CZ C -11.454 -2.407 3.828 1.00 . A A . 6 ARG CZ 1 1 1 108 1 1 6 ARG H H -4.546 -1.479 2.145 1.00 . A A . 6 ARG H 1 1 1 109 1 1 6 ARG HA H -7.132 -0.213 2.429 1.00 . A A . 6 ARG HA 1 1 1 110 1 1 6 ARG HB2 H -6.582 -2.487 3.863 1.00 . A A . 6 ARG HB2 1 1 1 111 1 1 6 ARG HB3 H -5.912 -1.289 4.950 1.00 . A A . 6 ARG HB3 1 1 1 112 1 1 6 ARG HD2 H -8.734 -2.709 3.381 1.00 . A A . 6 ARG HD2 1 1 1 113 1 1 6 ARG HD3 H -8.978 -2.982 5.095 1.00 . A A . 6 ARG HD3 1 1 1 114 1 1 6 ARG HE H -10.535 -0.719 4.426 1.00 . A A . 6 ARG HE 1 1 1 115 1 1 6 ARG HG2 H -8.017 -0.917 5.709 1.00 . A A . 6 ARG HG2 1 1 1 116 1 1 6 ARG HG3 H -8.374 -0.170 4.165 1.00 . A A . 6 ARG HG3 1 1 1 117 1 1 6 ARG HH11 H -10.406 -4.130 3.575 1.00 . A A . 6 ARG HH11 1 1 1 118 1 1 6 ARG HH12 H -12.103 -4.243 3.241 1.00 . A A . 6 ARG HH12 1 1 1 119 1 1 6 ARG HH21 H -12.772 -0.866 3.986 1.00 . A A . 6 ARG HH21 1 1 1 120 1 1 6 ARG HH22 H -13.457 -2.374 3.476 1.00 . A A . 6 ARG HH22 1 1 1 121 1 1 6 ARG N N -5.517 -1.340 1.949 1.00 . A A . 6 ARG N 1 1 1 122 1 1 6 ARG NE N -10.392 -1.683 4.205 1.00 . A A . 6 ARG NE 1 1 1 123 1 1 6 ARG NH1 N -11.309 -3.703 3.522 1.00 . A A . 6 ARG NH1 1 1 1 124 1 1 6 ARG NH2 N -12.664 -1.833 3.757 1.00 . A A . 6 ARG NH2 1 1 1 125 1 1 6 ARG O O -4.586 0.455 4.354 1.00 . A A . 6 ARG O 1 1 1 126 1 1 7 ARG C C -3.475 2.950 2.436 1.00 . A A . 7 ARG C 1 1 1 127 1 1 7 ARG CA C -4.834 2.943 3.139 1.00 . A A . 7 ARG CA 1 1 1 128 1 1 7 ARG CB C -4.619 3.031 4.651 1.00 . A A . 7 ARG CB 1 1 1 129 1 1 7 ARG CD C -3.748 4.934 6.058 1.00 . A A . 7 ARG CD 1 1 1 130 1 1 7 ARG CG C -4.890 4.447 5.162 1.00 . A A . 7 ARG CG 1 1 1 131 1 1 7 ARG CZ C -3.558 6.286 8.143 1.00 . A A . 7 ARG CZ 1 1 1 132 1 1 7 ARG H H -6.229 1.860 2.034 1.00 . A A . 7 ARG H 1 1 1 133 1 1 7 ARG HA H -5.456 3.770 2.797 1.00 . A A . 7 ARG HA 1 1 1 134 1 1 7 ARG HB2 H -5.279 2.326 5.157 1.00 . A A . 7 ARG HB2 1 1 1 135 1 1 7 ARG HB3 H -3.598 2.741 4.895 1.00 . A A . 7 ARG HB3 1 1 1 136 1 1 7 ARG HD2 H -3.122 4.092 6.353 1.00 . A A . 7 ARG HD2 1 1 1 137 1 1 7 ARG HD3 H -3.112 5.627 5.506 1.00 . A A . 7 ARG HD3 1 1 1 138 1 1 7 ARG HE H -5.281 5.534 7.424 1.00 . A A . 7 ARG HE 1 1 1 139 1 1 7 ARG HG2 H -5.008 5.125 4.318 1.00 . A A . 7 ARG HG2 1 1 1 140 1 1 7 ARG HG3 H -5.826 4.465 5.719 1.00 . A A . 7 ARG HG3 1 1 1 141 1 1 7 ARG HH11 H -1.799 5.973 7.170 1.00 . A A . 7 ARG HH11 1 1 1 142 1 1 7 ARG HH12 H -1.683 6.910 8.621 1.00 . A A . 7 ARG HH12 1 1 1 143 1 1 7 ARG HH21 H -5.129 6.772 9.339 1.00 . A A . 7 ARG HH21 1 1 1 144 1 1 7 ARG HH22 H -3.590 7.368 9.863 1.00 . A A . 7 ARG HH22 1 1 1 145 1 1 7 ARG N N -5.578 1.746 2.785 1.00 . A A . 7 ARG N 1 1 1 146 1 1 7 ARG NE N -4.297 5.599 7.260 1.00 . A A . 7 ARG NE 1 1 1 147 1 1 7 ARG NH1 N -2.234 6.399 7.963 1.00 . A A . 7 ARG NH1 1 1 1 148 1 1 7 ARG NH2 N -4.142 6.857 9.205 1.00 . A A . 7 ARG NH2 1 1 1 149 1 1 7 ARG O O -2.828 3.992 2.339 1.00 . A A . 7 ARG O 1 1 1 150 1 1 8 TRP C C -1.999 2.111 -0.164 1.00 . A A . 8 TRP C 1 1 1 151 1 1 8 TRP CA C -1.810 1.633 1.276 1.00 . A A . 8 TRP CA 1 1 1 152 1 1 8 TRP CB C -1.295 0.196 1.367 1.00 . A A . 8 TRP CB 1 1 1 153 1 1 8 TRP CD1 C 0.491 0.501 3.205 1.00 . A A . 8 TRP CD1 1 1 1 154 1 1 8 TRP CD2 C -0.895 -1.179 3.604 1.00 . A A . 8 TRP CD2 1 1 1 155 1 1 8 TRP CE2 C 0.000 -1.125 4.652 1.00 . A A . 8 TRP CE2 1 1 1 156 1 1 8 TRP CE3 C -1.915 -2.146 3.561 1.00 . A A . 8 TRP CE3 1 1 1 157 1 1 8 TRP CG C -0.569 -0.124 2.676 1.00 . A A . 8 TRP CG 1 1 1 158 1 1 8 TRP CH2 C -1.038 -2.985 5.713 1.00 . A A . 8 TRP CH2 1 1 1 159 1 1 8 TRP CZ2 C -0.032 -2.012 5.735 1.00 . A A . 8 TRP CZ2 1 1 1 160 1 1 8 TRP CZ3 C -1.933 -3.026 4.651 1.00 . A A . 8 TRP CZ3 1 1 1 161 1 1 8 TRP H H -3.613 0.933 2.051 1.00 . A A . 8 TRP H 1 1 1 162 1 1 8 TRP HA H -1.082 2.264 1.786 1.00 . A A . 8 TRP HA 1 1 1 163 1 1 8 TRP HB2 H -2.136 -0.489 1.253 1.00 . A A . 8 TRP HB2 1 1 1 164 1 1 8 TRP HB3 H -0.618 0.010 0.534 1.00 . A A . 8 TRP HB3 1 1 1 165 1 1 8 TRP HD1 H 0.992 1.355 2.747 1.00 . A A . 8 TRP HD1 1 1 1 166 1 1 8 TRP HE1 H 1.701 0.246 5.035 1.00 . A A . 8 TRP HE1 1 1 1 167 1 1 8 TRP HE3 H -2.635 -2.210 2.745 1.00 . A A . 8 TRP HE3 1 1 1 168 1 1 8 TRP HH2 H -1.121 -3.706 6.526 1.00 . A A . 8 TRP HH2 1 1 1 169 1 1 8 TRP HZ2 H 0.687 -1.949 6.552 1.00 . A A . 8 TRP HZ2 1 1 1 170 1 1 8 TRP HZ3 H -2.704 -3.796 4.666 1.00 . A A . 8 TRP HZ3 1 1 1 171 1 1 8 TRP N N -3.081 1.776 1.967 1.00 . A A . 8 TRP N 1 1 1 172 1 1 8 TRP NE1 N 0.871 -0.071 4.402 1.00 . A A . 8 TRP NE1 1 1 1 173 1 1 8 TRP O O -3.091 2.003 -0.720 1.00 . A A . 8 TRP O 1 1 1 174 1 1 9 LYS C C 0.306 2.656 -2.832 1.00 . A A . 9 LYS C 1 1 1 175 1 1 9 LYS CA C -0.951 3.124 -2.094 1.00 . A A . 9 LYS CA 1 1 1 176 1 1 9 LYS CB C -1.144 4.642 -2.110 1.00 . A A . 9 LYS CB 1 1 1 177 1 1 9 LYS CD C -3.417 5.543 -2.726 1.00 . A A . 9 LYS CD 1 1 1 178 1 1 9 LYS CE C -4.421 4.390 -2.663 1.00 . A A . 9 LYS CE 1 1 1 179 1 1 9 LYS CG C -2.065 5.065 -3.257 1.00 . A A . 9 LYS CG 1 1 1 180 1 1 9 LYS H H -0.034 2.713 -0.270 1.00 . A A . 9 LYS H 1 1 1 181 1 1 9 LYS HA H -1.821 2.683 -2.581 1.00 . A A . 9 LYS HA 1 1 1 182 1 1 9 LYS HB2 H -1.567 4.969 -1.160 1.00 . A A . 9 LYS HB2 1 1 1 183 1 1 9 LYS HB3 H -0.177 5.134 -2.215 1.00 . A A . 9 LYS HB3 1 1 1 184 1 1 9 LYS HD2 H -3.290 5.975 -1.733 1.00 . A A . 9 LYS HD2 1 1 1 185 1 1 9 LYS HD3 H -3.805 6.334 -3.369 1.00 . A A . 9 LYS HD3 1 1 1 186 1 1 9 LYS HE2 H -3.895 3.438 -2.733 1.00 . A A . 9 LYS HE2 1 1 1 187 1 1 9 LYS HE3 H -4.936 4.400 -1.702 1.00 . A A . 9 LYS HE3 1 1 1 188 1 1 9 LYS HG2 H -1.592 5.862 -3.831 1.00 . A A . 9 LYS HG2 1 1 1 189 1 1 9 LYS HG3 H -2.213 4.227 -3.938 1.00 . A A . 9 LYS HG3 1 1 1 190 1 1 9 LYS HZ1 H -5.512 5.461 -4.019 1.00 . A A . 9 LYS HZ1 1 1 1 191 1 1 9 LYS HZ2 H -5.088 3.976 -4.550 1.00 . A A . 9 LYS HZ2 1 1 1 192 1 1 9 LYS HZ3 H -6.288 4.140 -3.455 1.00 . A A . 9 LYS HZ3 1 1 1 193 1 1 9 LYS N N -0.918 2.629 -0.729 1.00 . A A . 9 LYS N 1 1 1 194 1 1 9 LYS NZ N -5.407 4.501 -3.761 1.00 . A A . 9 LYS NZ 1 1 1 195 1 1 9 LYS O O 0.811 1.565 -2.574 1.00 . A A . 9 LYS O 1 1 1 196 1 1 10 LYS C C 3.085 2.760 -3.567 1.00 . A A . 10 LYS C 1 1 1 197 1 1 10 LYS CA C 1.961 3.193 -4.511 1.00 . A A . 10 LYS CA 1 1 1 198 1 1 10 LYS CB C 2.337 4.370 -5.414 1.00 . A A . 10 LYS CB 1 1 1 199 1 1 10 LYS CD C 1.583 4.226 -7.815 1.00 . A A . 10 LYS CD 1 1 1 200 1 1 10 LYS CE C 2.010 3.902 -9.248 1.00 . A A . 10 LYS CE 1 1 1 201 1 1 10 LYS CG C 2.696 3.890 -6.821 1.00 . A A . 10 LYS CG 1 1 1 202 1 1 10 LYS H H 0.356 4.391 -3.939 1.00 . A A . 10 LYS H 1 1 1 203 1 1 10 LYS HA H 1.715 2.355 -5.162 1.00 . A A . 10 LYS HA 1 1 1 204 1 1 10 LYS HB2 H 1.505 5.073 -5.466 1.00 . A A . 10 LYS HB2 1 1 1 205 1 1 10 LYS HB3 H 3.181 4.908 -4.983 1.00 . A A . 10 LYS HB3 1 1 1 206 1 1 10 LYS HD2 H 0.683 3.664 -7.565 1.00 . A A . 10 LYS HD2 1 1 1 207 1 1 10 LYS HD3 H 1.329 5.284 -7.739 1.00 . A A . 10 LYS HD3 1 1 1 208 1 1 10 LYS HE2 H 2.226 4.823 -9.788 1.00 . A A . 10 LYS HE2 1 1 1 209 1 1 10 LYS HE3 H 2.931 3.317 -9.235 1.00 . A A . 10 LYS HE3 1 1 1 210 1 1 10 LYS HG2 H 3.627 4.355 -7.142 1.00 . A A . 10 LYS HG2 1 1 1 211 1 1 10 LYS HG3 H 2.864 2.813 -6.810 1.00 . A A . 10 LYS HG3 1 1 1 212 1 1 10 LYS HZ1 H 1.168 3.084 -10.921 1.00 . A A . 10 LYS HZ1 1 1 1 213 1 1 10 LYS HZ2 H 0.880 2.227 -9.561 1.00 . A A . 10 LYS HZ2 1 1 1 214 1 1 10 LYS HZ3 H 0.073 3.620 -9.836 1.00 . A A . 10 LYS HZ3 1 1 1 215 1 1 10 LYS N N 0.773 3.505 -3.735 1.00 . A A . 10 LYS N 1 1 1 216 1 1 10 LYS NZ N 0.947 3.147 -9.948 1.00 . A A . 10 LYS NZ 1 1 1 217 1 1 10 LYS O O 2.897 2.719 -2.352 1.00 . A A . 10 LYS O 1 1 1 218 1 1 11 ALA C C 5.476 2.862 -2.114 1.00 . A A . 11 ALA C 1 1 1 219 1 1 11 ALA CA C 5.379 2.019 -3.387 1.00 . A A . 11 ALA CA 1 1 1 220 1 1 11 ALA CB C 6.639 2.118 -4.248 1.00 . A A . 11 ALA CB 1 1 1 221 1 1 11 ALA H H 4.371 2.483 -5.149 1.00 . A A . 11 ALA H 1 1 1 222 1 1 11 ALA HA H 5.225 0.976 -3.110 1.00 . A A . 11 ALA HA 1 1 1 223 1 1 11 ALA HB1 H 6.741 3.136 -4.625 1.00 . A A . 11 ALA HB1 1 1 1 224 1 1 11 ALA HB2 H 7.511 1.864 -3.648 1.00 . A A . 11 ALA HB2 1 1 1 225 1 1 11 ALA HB3 H 6.561 1.427 -5.088 1.00 . A A . 11 ALA HB3 1 1 1 226 1 1 11 ALA N N 4.226 2.447 -4.160 1.00 . A A . 11 ALA N 1 1 1 227 1 1 11 ALA O O 5.498 4.090 -2.178 1.00 . A A . 11 ALA O 1 1 1 228 1 1 12 LYS C C 6.424 1.965 1.269 1.00 . A A . 12 LYS C 1 1 1 229 1 1 12 LYS CA C 5.624 2.839 0.300 1.00 . A A . 12 LYS CA 1 1 1 230 1 1 12 LYS CB C 4.232 3.210 0.814 1.00 . A A . 12 LYS CB 1 1 1 231 1 1 12 LYS CD C 4.360 3.382 3.327 1.00 . A A . 12 LYS CD 1 1 1 232 1 1 12 LYS CE C 4.389 4.333 4.525 1.00 . A A . 12 LYS CE 1 1 1 233 1 1 12 LYS CG C 4.323 4.160 2.010 1.00 . A A . 12 LYS CG 1 1 1 234 1 1 12 LYS H H 5.511 1.170 -0.942 1.00 . A A . 12 LYS H 1 1 1 235 1 1 12 LYS HA H 6.169 3.770 0.145 1.00 . A A . 12 LYS HA 1 1 1 236 1 1 12 LYS HB2 H 3.658 3.680 0.015 1.00 . A A . 12 LYS HB2 1 1 1 237 1 1 12 LYS HB3 H 3.694 2.306 1.103 1.00 . A A . 12 LYS HB3 1 1 1 238 1 1 12 LYS HD2 H 3.487 2.732 3.395 1.00 . A A . 12 LYS HD2 1 1 1 239 1 1 12 LYS HD3 H 5.239 2.737 3.348 1.00 . A A . 12 LYS HD3 1 1 1 240 1 1 12 LYS HE2 H 5.420 4.579 4.777 1.00 . A A . 12 LYS HE2 1 1 1 241 1 1 12 LYS HE3 H 3.892 5.267 4.266 1.00 . A A . 12 LYS HE3 1 1 1 242 1 1 12 LYS HG2 H 5.218 4.776 1.922 1.00 . A A . 12 LYS HG2 1 1 1 243 1 1 12 LYS HG3 H 3.468 4.837 2.008 1.00 . A A . 12 LYS HG3 1 1 1 244 1 1 12 LYS HZ1 H 4.138 4.057 6.534 1.00 . A A . 12 LYS HZ1 1 1 1 245 1 1 12 LYS HZ2 H 2.749 3.951 5.683 1.00 . A A . 12 LYS HZ2 1 1 1 246 1 1 12 LYS HZ3 H 3.823 2.722 5.649 1.00 . A A . 12 LYS HZ3 1 1 1 247 1 1 12 LYS N N 5.530 2.169 -0.986 1.00 . A A . 12 LYS N 1 1 1 248 1 1 12 LYS NZ N 3.720 3.716 5.693 1.00 . A A . 12 LYS NZ 1 1 1 249 1 1 12 LYS O O 5.922 1.091 1.976 1.00 . A A . 12 LYS O 1 1 1 250 1 1 13 DPR C C 8.940 0.053 2.088 1.00 . A A . 13 DPR C 1 1 1 251 1 1 13 DPR CA C 8.668 1.586 2.305 1.00 . A A . 13 DPR CA 1 1 1 252 1 1 13 DPR CB C 9.905 2.502 2.174 1.00 . A A . 13 DPR CB 1 1 1 253 1 1 13 DPR CD C 8.456 3.102 0.342 1.00 . A A . 13 DPR CD 1 1 1 254 1 1 13 DPR CG C 9.930 2.928 0.703 1.00 . A A . 13 DPR CG 1 1 1 255 1 1 13 DPR HA H 8.265 1.710 3.329 1.00 . A A . 13 DPR HA 1 1 1 256 1 1 13 DPR HB2 H 10.844 2.007 2.488 1.00 . A A . 13 DPR HB2 1 1 1 257 1 1 13 DPR HB3 H 9.790 3.390 2.827 1.00 . A A . 13 DPR HB3 1 1 1 258 1 1 13 DPR HD2 H 8.258 2.819 -0.710 1.00 . A A . 13 DPR HD2 1 1 1 259 1 1 13 DPR HD3 H 8.140 4.156 0.475 1.00 . A A . 13 DPR HD3 1 1 1 260 1 1 13 DPR HG2 H 10.527 3.842 0.529 1.00 . A A . 13 DPR HG2 1 1 1 261 1 1 13 DPR HG3 H 10.380 2.124 0.087 1.00 . A A . 13 DPR HG3 1 1 1 262 1 1 13 DPR N N 7.760 2.219 1.302 1.00 . A A . 13 DPR N 1 1 1 263 1 1 13 DPR O O 9.500 -0.375 1.078 1.00 . A A . 13 DPR O 1 1 1 264 1 1 14 PRO C C 8.445 -3.090 1.884 1.00 . A A . 14 PRO C 1 1 1 265 1 1 14 PRO CA C 8.914 -2.213 3.096 1.00 . A A . 14 PRO CA 1 1 1 266 1 1 14 PRO CB C 8.344 -2.641 4.467 1.00 . A A . 14 PRO CB 1 1 1 267 1 1 14 PRO CD C 7.654 -0.338 4.166 1.00 . A A . 14 PRO CD 1 1 1 268 1 1 14 PRO CG C 7.196 -1.669 4.767 1.00 . A A . 14 PRO CG 1 1 1 269 1 1 14 PRO HA H 10.016 -2.317 3.138 1.00 . A A . 14 PRO HA 1 1 1 270 1 1 14 PRO HB2 H 8.022 -3.701 4.496 1.00 . A A . 14 PRO HB2 1 1 1 271 1 1 14 PRO HB3 H 9.129 -2.540 5.242 1.00 . A A . 14 PRO HB3 1 1 1 272 1 1 14 PRO HD2 H 6.808 0.273 3.796 1.00 . A A . 14 PRO HD2 1 1 1 273 1 1 14 PRO HD3 H 8.209 0.274 4.905 1.00 . A A . 14 PRO HD3 1 1 1 274 1 1 14 PRO HG2 H 6.267 -2.009 4.271 1.00 . A A . 14 PRO HG2 1 1 1 275 1 1 14 PRO HG3 H 6.973 -1.590 5.847 1.00 . A A . 14 PRO HG3 1 1 1 276 1 1 14 PRO N N 8.552 -0.771 3.082 1.00 . A A . 14 PRO N 1 1 1 277 1 1 14 PRO O O 9.102 -4.055 1.507 1.00 . A A . 14 PRO O 1 1 2 278 1 1 1 THR C C 5.674 -2.838 -0.227 1.00 . A A . 1 THR C 1 1 2 279 1 1 1 THR CA C 6.696 -3.883 0.225 1.00 . A A . 1 THR CA 1 1 2 280 1 1 1 THR CB C 6.065 -5.087 0.927 1.00 . A A . 1 THR CB 1 1 2 281 1 1 1 THR CG2 C 5.264 -5.970 -0.033 1.00 . A A . 1 THR CG2 1 1 2 282 1 1 1 THR H1 H 8.052 -3.917 1.805 1.00 . A A . 1 THR H1 1 1 2 283 1 1 1 THR HA H 7.226 -4.218 -0.668 1.00 . A A . 1 THR HA 1 1 2 284 1 1 1 THR HB H 5.450 -4.769 1.768 1.00 . A A . 1 THR HB 1 1 2 285 1 1 1 THR HG1 H 7.596 -6.296 0.480 1.00 . A A . 1 THR HG1 1 1 2 286 1 1 1 THR HG21 H 5.672 -5.878 -1.039 1.00 . A A . 1 THR HG21 1 1 2 287 1 1 1 THR HG22 H 5.328 -7.010 0.292 1.00 . A A . 1 THR HG22 1 1 2 288 1 1 1 THR HG23 H 4.221 -5.654 -0.033 1.00 . A A . 1 THR HG23 1 1 2 289 1 1 1 THR N N 7.661 -3.288 1.133 1.00 . A A . 1 THR N 1 1 2 290 1 1 1 THR O O 5.569 -1.769 0.371 1.00 . A A . 1 THR O 1 1 2 291 1 1 1 THR OG1 O 7.178 -5.896 1.296 1.00 . A A . 1 THR OG1 1 1 2 292 1 1 2 TRP C C 2.767 -2.247 -0.828 1.00 . A A . 2 TRP C 1 1 2 293 1 1 2 TRP CA C 3.934 -2.290 -1.815 1.00 . A A . 2 TRP CA 1 1 2 294 1 1 2 TRP CB C 3.512 -2.722 -3.222 1.00 . A A . 2 TRP CB 1 1 2 295 1 1 2 TRP CD1 C 5.036 -1.739 -5.058 1.00 . A A . 2 TRP CD1 1 1 2 296 1 1 2 TRP CD2 C 3.153 -0.604 -4.783 1.00 . A A . 2 TRP CD2 1 1 2 297 1 1 2 TRP CE2 C 3.869 0.021 -5.785 1.00 . A A . 2 TRP CE2 1 1 2 298 1 1 2 TRP CE3 C 1.899 -0.122 -4.369 1.00 . A A . 2 TRP CE3 1 1 2 299 1 1 2 TRP CG C 3.915 -1.739 -4.322 1.00 . A A . 2 TRP CG 1 1 2 300 1 1 2 TRP CH2 C 2.167 1.661 -6.058 1.00 . A A . 2 TRP CH2 1 1 2 301 1 1 2 TRP CZ2 C 3.413 1.162 -6.455 1.00 . A A . 2 TRP CZ2 1 1 2 302 1 1 2 TRP CZ3 C 1.458 1.021 -5.048 1.00 . A A . 2 TRP CZ3 1 1 2 303 1 1 2 TRP H H 5.036 -4.057 -1.757 1.00 . A A . 2 TRP H 1 1 2 304 1 1 2 TRP HA H 4.380 -1.300 -1.908 1.00 . A A . 2 TRP HA 1 1 2 305 1 1 2 TRP HB2 H 3.952 -3.695 -3.439 1.00 . A A . 2 TRP HB2 1 1 2 306 1 1 2 TRP HB3 H 2.429 -2.850 -3.242 1.00 . A A . 2 TRP HB3 1 1 2 307 1 1 2 TRP HD1 H 5.834 -2.474 -4.960 1.00 . A A . 2 TRP HD1 1 1 2 308 1 1 2 TRP HE1 H 5.841 -0.465 -6.671 1.00 . A A . 2 TRP HE1 1 1 2 309 1 1 2 TRP HE3 H 1.315 -0.596 -3.580 1.00 . A A . 2 TRP HE3 1 1 2 310 1 1 2 TRP HH2 H 1.753 2.548 -6.539 1.00 . A A . 2 TRP HH2 1 1 2 311 1 1 2 TRP HZ2 H 3.998 1.636 -7.242 1.00 . A A . 2 TRP HZ2 1 1 2 312 1 1 2 TRP HZ3 H 0.491 1.437 -4.765 1.00 . A A . 2 TRP HZ3 1 1 2 313 1 1 2 TRP N N 4.944 -3.185 -1.278 1.00 . A A . 2 TRP N 1 1 2 314 1 1 2 TRP NE1 N 5.049 -0.692 -5.957 1.00 . A A . 2 TRP NE1 1 1 2 315 1 1 2 TRP O O 2.285 -1.171 -0.477 1.00 . A A . 2 TRP O 1 1 2 316 1 1 3 LEU C C 0.193 -2.478 0.210 1.00 . A A . 3 LEU C 1 1 2 317 1 1 3 LEU CA C 1.244 -3.542 0.535 1.00 . A A . 3 LEU CA 1 1 2 318 1 1 3 LEU CB C 1.759 -3.478 1.974 1.00 . A A . 3 LEU CB 1 1 2 319 1 1 3 LEU CD1 C 0.827 -1.549 3.303 1.00 . A A . 3 LEU CD1 1 1 2 320 1 1 3 LEU CD2 C 3.310 -2.063 3.370 1.00 . A A . 3 LEU CD2 1 1 2 321 1 1 3 LEU CG C 2.034 -2.078 2.526 1.00 . A A . 3 LEU CG 1 1 2 322 1 1 3 LEU H H 2.743 -4.301 -0.696 1.00 . A A . 3 LEU H 1 1 2 323 1 1 3 LEU HA H 0.794 -4.525 0.396 1.00 . A A . 3 LEU HA 1 1 2 324 1 1 3 LEU HB2 H 1.032 -3.967 2.621 1.00 . A A . 3 LEU HB2 1 1 2 325 1 1 3 LEU HB3 H 2.679 -4.059 2.034 1.00 . A A . 3 LEU HB3 1 1 2 326 1 1 3 LEU HD11 H 1.041 -1.579 4.371 1.00 . A A . 3 LEU HD11 1 1 2 327 1 1 3 LEU HD12 H 0.624 -0.521 3.002 1.00 . A A . 3 LEU HD12 1 1 2 328 1 1 3 LEU HD13 H -0.043 -2.169 3.089 1.00 . A A . 3 LEU HD13 1 1 2 329 1 1 3 LEU HD21 H 3.570 -3.083 3.655 1.00 . A A . 3 LEU HD21 1 1 2 330 1 1 3 LEU HD22 H 4.124 -1.629 2.790 1.00 . A A . 3 LEU HD22 1 1 2 331 1 1 3 LEU HD23 H 3.146 -1.466 4.267 1.00 . A A . 3 LEU HD23 1 1 2 332 1 1 3 LEU HG H 2.196 -1.405 1.685 1.00 . A A . 3 LEU HG 1 1 2 333 1 1 3 LEU N N 2.346 -3.431 -0.406 1.00 . A A . 3 LEU N 1 1 2 334 1 1 3 LEU O O 0.199 -1.396 0.795 1.00 . A A . 3 LEU O 1 1 2 335 1 1 4 LYS C C -3.069 -2.665 -1.176 1.00 . A A . 4 LYS C 1 1 2 336 1 1 4 LYS CA C -1.739 -1.910 -1.130 1.00 . A A . 4 LYS CA 1 1 2 337 1 1 4 LYS CB C -1.374 -1.227 -2.449 1.00 . A A . 4 LYS CB 1 1 2 338 1 1 4 LYS CD C -2.219 -1.945 -4.714 1.00 . A A . 4 LYS CD 1 1 2 339 1 1 4 LYS CE C -1.641 -2.367 -6.066 1.00 . A A . 4 LYS CE 1 1 2 340 1 1 4 LYS CG C -1.240 -2.249 -3.579 1.00 . A A . 4 LYS CG 1 1 2 341 1 1 4 LYS H H -0.682 -3.705 -1.192 1.00 . A A . 4 LYS H 1 1 2 342 1 1 4 LYS HA H -1.809 -1.131 -0.372 1.00 . A A . 4 LYS HA 1 1 2 343 1 1 4 LYS HB2 H -2.138 -0.493 -2.707 1.00 . A A . 4 LYS HB2 1 1 2 344 1 1 4 LYS HB3 H -0.436 -0.683 -2.334 1.00 . A A . 4 LYS HB3 1 1 2 345 1 1 4 LYS HD2 H -3.160 -2.467 -4.538 1.00 . A A . 4 LYS HD2 1 1 2 346 1 1 4 LYS HD3 H -2.445 -0.878 -4.728 1.00 . A A . 4 LYS HD3 1 1 2 347 1 1 4 LYS HE2 H -1.849 -1.601 -6.813 1.00 . A A . 4 LYS HE2 1 1 2 348 1 1 4 LYS HE3 H -0.557 -2.456 -5.993 1.00 . A A . 4 LYS HE3 1 1 2 349 1 1 4 LYS HG2 H -0.220 -2.242 -3.962 1.00 . A A . 4 LYS HG2 1 1 2 350 1 1 4 LYS HG3 H -1.427 -3.251 -3.192 1.00 . A A . 4 LYS HG3 1 1 2 351 1 1 4 LYS HZ1 H -2.824 -3.508 -7.282 1.00 . A A . 4 LYS HZ1 1 1 2 352 1 1 4 LYS HZ2 H -1.486 -4.285 -6.756 1.00 . A A . 4 LYS HZ2 1 1 2 353 1 1 4 LYS HZ3 H -2.748 -4.055 -5.745 1.00 . A A . 4 LYS HZ3 1 1 2 354 1 1 4 LYS N N -0.683 -2.823 -0.721 1.00 . A A . 4 LYS N 1 1 2 355 1 1 4 LYS NZ N -2.221 -3.659 -6.498 1.00 . A A . 4 LYS NZ 1 1 2 356 1 1 4 LYS O O -3.199 -3.660 -1.887 1.00 . A A . 4 LYS O 1 1 2 357 1 1 5 LYS C C -6.408 -1.703 -0.585 1.00 . A A . 5 LYS C 1 1 2 358 1 1 5 LYS CA C -5.341 -2.775 -0.353 1.00 . A A . 5 LYS CA 1 1 2 359 1 1 5 LYS CB C -5.518 -3.546 0.956 1.00 . A A . 5 LYS CB 1 1 2 360 1 1 5 LYS CD C -7.161 -4.920 2.285 1.00 . A A . 5 LYS CD 1 1 2 361 1 1 5 LYS CE C -7.673 -6.362 2.267 1.00 . A A . 5 LYS CE 1 1 2 362 1 1 5 LYS CG C -6.731 -4.475 0.887 1.00 . A A . 5 LYS CG 1 1 2 363 1 1 5 LYS H H -3.911 -1.352 0.166 1.00 . A A . 5 LYS H 1 1 2 364 1 1 5 LYS HA H -5.397 -3.500 -1.165 1.00 . A A . 5 LYS HA 1 1 2 365 1 1 5 LYS HB2 H -4.619 -4.130 1.163 1.00 . A A . 5 LYS HB2 1 1 2 366 1 1 5 LYS HB3 H -5.638 -2.845 1.782 1.00 . A A . 5 LYS HB3 1 1 2 367 1 1 5 LYS HD2 H -6.320 -4.837 2.972 1.00 . A A . 5 LYS HD2 1 1 2 368 1 1 5 LYS HD3 H -7.944 -4.258 2.657 1.00 . A A . 5 LYS HD3 1 1 2 369 1 1 5 LYS HE2 H -8.409 -6.485 1.473 1.00 . A A . 5 LYS HE2 1 1 2 370 1 1 5 LYS HE3 H -6.851 -7.044 2.049 1.00 . A A . 5 LYS HE3 1 1 2 371 1 1 5 LYS HG2 H -7.557 -3.962 0.393 1.00 . A A . 5 LYS HG2 1 1 2 372 1 1 5 LYS HG3 H -6.491 -5.349 0.281 1.00 . A A . 5 LYS HG3 1 1 2 373 1 1 5 LYS HZ1 H -8.761 -5.917 3.940 1.00 . A A . 5 LYS HZ1 1 1 2 374 1 1 5 LYS HZ2 H -8.927 -7.465 3.447 1.00 . A A . 5 LYS HZ2 1 1 2 375 1 1 5 LYS HZ3 H -7.563 -6.992 4.209 1.00 . A A . 5 LYS HZ3 1 1 2 376 1 1 5 LYS N N -4.025 -2.161 -0.408 1.00 . A A . 5 LYS N 1 1 2 377 1 1 5 LYS NZ N -8.280 -6.713 3.572 1.00 . A A . 5 LYS NZ 1 1 2 378 1 1 5 LYS O O -6.962 -1.600 -1.677 1.00 . A A . 5 LYS O 1 1 2 379 1 1 6 ARG C C -7.375 1.193 1.450 1.00 . A A . 6 ARG C 1 1 2 380 1 1 6 ARG CA C -7.655 0.127 0.388 1.00 . A A . 6 ARG CA 1 1 2 381 1 1 6 ARG CB C -9.068 -0.425 0.590 1.00 . A A . 6 ARG CB 1 1 2 382 1 1 6 ARG CD C -10.507 -1.994 1.940 1.00 . A A . 6 ARG CD 1 1 2 383 1 1 6 ARG CG C -9.129 -1.344 1.811 1.00 . A A . 6 ARG CG 1 1 2 384 1 1 6 ARG CZ C -11.425 -0.805 3.929 1.00 . A A . 6 ARG CZ 1 1 2 385 1 1 6 ARG H H -6.209 -1.023 1.349 1.00 . A A . 6 ARG H 1 1 2 386 1 1 6 ARG HA H -7.550 0.537 -0.616 1.00 . A A . 6 ARG HA 1 1 2 387 1 1 6 ARG HB2 H -9.770 0.400 0.715 1.00 . A A . 6 ARG HB2 1 1 2 388 1 1 6 ARG HB3 H -9.378 -0.974 -0.299 1.00 . A A . 6 ARG HB3 1 1 2 389 1 1 6 ARG HD2 H -10.890 -2.256 0.953 1.00 . A A . 6 ARG HD2 1 1 2 390 1 1 6 ARG HD3 H -10.429 -2.921 2.508 1.00 . A A . 6 ARG HD3 1 1 2 391 1 1 6 ARG HE H -12.132 -0.605 2.054 1.00 . A A . 6 ARG HE 1 1 2 392 1 1 6 ARG HG2 H -8.364 -2.118 1.727 1.00 . A A . 6 ARG HG2 1 1 2 393 1 1 6 ARG HG3 H -8.906 -0.773 2.712 1.00 . A A . 6 ARG HG3 1 1 2 394 1 1 6 ARG HH11 H -9.858 -2.038 4.326 1.00 . A A . 6 ARG HH11 1 1 2 395 1 1 6 ARG HH12 H -10.507 -1.204 5.699 1.00 . A A . 6 ARG HH12 1 1 2 396 1 1 6 ARG HH21 H -12.988 0.494 3.864 1.00 . A A . 6 ARG HH21 1 1 2 397 1 1 6 ARG HH22 H -12.299 0.246 5.434 1.00 . A A . 6 ARG HH22 1 1 2 398 1 1 6 ARG N N -6.664 -0.933 0.463 1.00 . A A . 6 ARG N 1 1 2 399 1 1 6 ARG NE N -11.443 -1.066 2.615 1.00 . A A . 6 ARG NE 1 1 2 400 1 1 6 ARG NH1 N -10.520 -1.399 4.718 1.00 . A A . 6 ARG NH1 1 1 2 401 1 1 6 ARG NH2 N -12.312 0.051 4.454 1.00 . A A . 6 ARG NH2 1 1 2 402 1 1 6 ARG O O -8.146 1.349 2.396 1.00 . A A . 6 ARG O 1 1 2 403 1 1 7 ARG C C -4.367 3.175 2.119 1.00 . A A . 7 ARG C 1 1 2 404 1 1 7 ARG CA C -5.878 2.943 2.188 1.00 . A A . 7 ARG CA 1 1 2 405 1 1 7 ARG CB C -6.266 2.578 3.622 1.00 . A A . 7 ARG CB 1 1 2 406 1 1 7 ARG CD C -7.266 4.592 4.764 1.00 . A A . 7 ARG CD 1 1 2 407 1 1 7 ARG CG C -7.562 3.279 4.034 1.00 . A A . 7 ARG CG 1 1 2 408 1 1 7 ARG CZ C -8.589 4.356 6.863 1.00 . A A . 7 ARG CZ 1 1 2 409 1 1 7 ARG H H -5.648 1.763 0.486 1.00 . A A . 7 ARG H 1 1 2 410 1 1 7 ARG HA H -6.426 3.826 1.860 1.00 . A A . 7 ARG HA 1 1 2 411 1 1 7 ARG HB2 H -6.390 1.499 3.707 1.00 . A A . 7 ARG HB2 1 1 2 412 1 1 7 ARG HB3 H -5.464 2.860 4.303 1.00 . A A . 7 ARG HB3 1 1 2 413 1 1 7 ARG HD2 H -6.343 4.500 5.336 1.00 . A A . 7 ARG HD2 1 1 2 414 1 1 7 ARG HD3 H -7.117 5.393 4.042 1.00 . A A . 7 ARG HD3 1 1 2 415 1 1 7 ARG HE H -9.036 5.631 5.371 1.00 . A A . 7 ARG HE 1 1 2 416 1 1 7 ARG HG2 H -8.169 3.479 3.151 1.00 . A A . 7 ARG HG2 1 1 2 417 1 1 7 ARG HG3 H -8.145 2.624 4.680 1.00 . A A . 7 ARG HG3 1 1 2 418 1 1 7 ARG HH11 H -6.966 3.136 6.742 1.00 . A A . 7 ARG HH11 1 1 2 419 1 1 7 ARG HH12 H -7.896 2.985 8.195 1.00 . A A . 7 ARG HH12 1 1 2 420 1 1 7 ARG HH21 H -10.262 5.432 7.289 1.00 . A A . 7 ARG HH21 1 1 2 421 1 1 7 ARG HH22 H -9.783 4.298 8.509 1.00 . A A . 7 ARG HH22 1 1 2 422 1 1 7 ARG N N -6.270 1.897 1.258 1.00 . A A . 7 ARG N 1 1 2 423 1 1 7 ARG NE N -8.388 4.930 5.669 1.00 . A A . 7 ARG NE 1 1 2 424 1 1 7 ARG NH1 N -7.746 3.412 7.304 1.00 . A A . 7 ARG NH1 1 1 2 425 1 1 7 ARG NH2 N -9.633 4.727 7.618 1.00 . A A . 7 ARG NH2 1 1 2 426 1 1 7 ARG O O -3.883 4.246 2.484 1.00 . A A . 7 ARG O 1 1 2 427 1 1 8 TRP C C -1.890 2.805 0.146 1.00 . A A . 8 TRP C 1 1 2 428 1 1 8 TRP CA C -2.218 2.236 1.528 1.00 . A A . 8 TRP CA 1 1 2 429 1 1 8 TRP CB C -1.571 0.873 1.782 1.00 . A A . 8 TRP CB 1 1 2 430 1 1 8 TRP CD1 C -0.895 0.877 4.273 1.00 . A A . 8 TRP CD1 1 1 2 431 1 1 8 TRP CD2 C -2.480 -0.596 3.799 1.00 . A A . 8 TRP CD2 1 1 2 432 1 1 8 TRP CE2 C -2.214 -0.696 5.149 1.00 . A A . 8 TRP CE2 1 1 2 433 1 1 8 TRP CE3 C -3.448 -1.407 3.181 1.00 . A A . 8 TRP CE3 1 1 2 434 1 1 8 TRP CG C -1.622 0.423 3.243 1.00 . A A . 8 TRP CG 1 1 2 435 1 1 8 TRP CH2 C -3.844 -2.412 5.403 1.00 . A A . 8 TRP CH2 1 1 2 436 1 1 8 TRP CZ2 C -2.874 -1.594 5.997 1.00 . A A . 8 TRP CZ2 1 1 2 437 1 1 8 TRP CZ3 C -4.100 -2.300 4.041 1.00 . A A . 8 TRP CZ3 1 1 2 438 1 1 8 TRP H H -4.065 1.288 1.354 1.00 . A A . 8 TRP H 1 1 2 439 1 1 8 TRP HA H -1.856 2.909 2.304 1.00 . A A . 8 TRP HA 1 1 2 440 1 1 8 TRP HB2 H -2.067 0.125 1.164 1.00 . A A . 8 TRP HB2 1 1 2 441 1 1 8 TRP HB3 H -0.530 0.911 1.461 1.00 . A A . 8 TRP HB3 1 1 2 442 1 1 8 TRP HD1 H -0.142 1.660 4.193 1.00 . A A . 8 TRP HD1 1 1 2 443 1 1 8 TRP HE1 H -0.778 0.408 6.427 1.00 . A A . 8 TRP HE1 1 1 2 444 1 1 8 TRP HE3 H -3.676 -1.347 2.117 1.00 . A A . 8 TRP HE3 1 1 2 445 1 1 8 TRP HH2 H -4.395 -3.133 6.006 1.00 . A A . 8 TRP HH2 1 1 2 446 1 1 8 TRP HZ2 H -2.646 -1.653 7.060 1.00 . A A . 8 TRP HZ2 1 1 2 447 1 1 8 TRP HZ3 H -4.860 -2.952 3.613 1.00 . A A . 8 TRP HZ3 1 1 2 448 1 1 8 TRP N N -3.664 2.156 1.649 1.00 . A A . 8 TRP N 1 1 2 449 1 1 8 TRP NE1 N -1.220 0.228 5.446 1.00 . A A . 8 TRP NE1 1 1 2 450 1 1 8 TRP O O -1.816 4.021 -0.027 1.00 . A A . 8 TRP O 1 1 2 451 1 1 9 LYS C C -0.394 3.461 -2.133 1.00 . A A . 9 LYS C 1 1 2 452 1 1 9 LYS CA C -1.386 2.295 -2.164 1.00 . A A . 9 LYS CA 1 1 2 453 1 1 9 LYS CB C -2.665 2.599 -2.947 1.00 . A A . 9 LYS CB 1 1 2 454 1 1 9 LYS CD C -3.436 2.742 -5.344 1.00 . A A . 9 LYS CD 1 1 2 455 1 1 9 LYS CE C -2.955 1.640 -6.292 1.00 . A A . 9 LYS CE 1 1 2 456 1 1 9 LYS CG C -2.340 3.123 -4.347 1.00 . A A . 9 LYS CG 1 1 2 457 1 1 9 LYS H H -1.766 0.912 -0.655 1.00 . A A . 9 LYS H 1 1 2 458 1 1 9 LYS HA H -0.906 1.446 -2.648 1.00 . A A . 9 LYS HA 1 1 2 459 1 1 9 LYS HB2 H -3.271 1.696 -3.025 1.00 . A A . 9 LYS HB2 1 1 2 460 1 1 9 LYS HB3 H -3.260 3.335 -2.407 1.00 . A A . 9 LYS HB3 1 1 2 461 1 1 9 LYS HD2 H -4.320 2.401 -4.805 1.00 . A A . 9 LYS HD2 1 1 2 462 1 1 9 LYS HD3 H -3.731 3.618 -5.919 1.00 . A A . 9 LYS HD3 1 1 2 463 1 1 9 LYS HE2 H -1.959 1.309 -5.997 1.00 . A A . 9 LYS HE2 1 1 2 464 1 1 9 LYS HE3 H -3.613 0.776 -6.218 1.00 . A A . 9 LYS HE3 1 1 2 465 1 1 9 LYS HG2 H -2.233 4.208 -4.316 1.00 . A A . 9 LYS HG2 1 1 2 466 1 1 9 LYS HG3 H -1.384 2.718 -4.678 1.00 . A A . 9 LYS HG3 1 1 2 467 1 1 9 LYS HZ1 H -3.784 2.608 -7.890 1.00 . A A . 9 LYS HZ1 1 1 2 468 1 1 9 LYS HZ2 H -2.161 2.765 -7.802 1.00 . A A . 9 LYS HZ2 1 1 2 469 1 1 9 LYS HZ3 H -2.819 1.360 -8.311 1.00 . A A . 9 LYS HZ3 1 1 2 470 1 1 9 LYS N N -1.704 1.899 -0.803 1.00 . A A . 9 LYS N 1 1 2 471 1 1 9 LYS NZ N -2.928 2.134 -7.686 1.00 . A A . 9 LYS NZ 1 1 2 472 1 1 9 LYS O O -0.430 4.334 -2.998 1.00 . A A . 9 LYS O 1 1 2 473 1 1 10 LYS C C 2.774 4.027 -1.628 1.00 . A A . 10 LYS C 1 1 2 474 1 1 10 LYS CA C 1.468 4.477 -0.972 1.00 . A A . 10 LYS CA 1 1 2 475 1 1 10 LYS CB C 1.621 4.858 0.503 1.00 . A A . 10 LYS CB 1 1 2 476 1 1 10 LYS CD C 1.068 7.315 0.380 1.00 . A A . 10 LYS CD 1 1 2 477 1 1 10 LYS CE C 0.685 8.053 1.663 1.00 . A A . 10 LYS CE 1 1 2 478 1 1 10 LYS CG C 2.163 6.281 0.648 1.00 . A A . 10 LYS CG 1 1 2 479 1 1 10 LYS H H 0.490 2.720 -0.427 1.00 . A A . 10 LYS H 1 1 2 480 1 1 10 LYS HA H 1.104 5.361 -1.496 1.00 . A A . 10 LYS HA 1 1 2 481 1 1 10 LYS HB2 H 0.656 4.780 1.004 1.00 . A A . 10 LYS HB2 1 1 2 482 1 1 10 LYS HB3 H 2.294 4.156 0.995 1.00 . A A . 10 LYS HB3 1 1 2 483 1 1 10 LYS HD2 H 1.413 8.031 -0.366 1.00 . A A . 10 LYS HD2 1 1 2 484 1 1 10 LYS HD3 H 0.190 6.821 -0.036 1.00 . A A . 10 LYS HD3 1 1 2 485 1 1 10 LYS HE2 H -0.390 7.976 1.827 1.00 . A A . 10 LYS HE2 1 1 2 486 1 1 10 LYS HE3 H 1.172 7.585 2.518 1.00 . A A . 10 LYS HE3 1 1 2 487 1 1 10 LYS HG2 H 2.562 6.421 1.653 1.00 . A A . 10 LYS HG2 1 1 2 488 1 1 10 LYS HG3 H 2.989 6.432 -0.047 1.00 . A A . 10 LYS HG3 1 1 2 489 1 1 10 LYS HZ1 H 1.983 9.550 1.161 1.00 . A A . 10 LYS HZ1 1 1 2 490 1 1 10 LYS HZ2 H 0.413 9.975 1.021 1.00 . A A . 10 LYS HZ2 1 1 2 491 1 1 10 LYS HZ3 H 1.103 9.872 2.497 1.00 . A A . 10 LYS HZ3 1 1 2 492 1 1 10 LYS N N 0.468 3.435 -1.127 1.00 . A A . 10 LYS N 1 1 2 493 1 1 10 LYS NZ N 1.078 9.478 1.578 1.00 . A A . 10 LYS NZ 1 1 2 494 1 1 10 LYS O O 3.583 4.857 -2.043 1.00 . A A . 10 LYS O 1 1 2 495 1 1 11 ALA C C 5.360 2.568 -1.492 1.00 . A A . 11 ALA C 1 1 2 496 1 1 11 ALA CA C 4.135 2.145 -2.304 1.00 . A A . 11 ALA CA 1 1 2 497 1 1 11 ALA CB C 4.228 2.579 -3.768 1.00 . A A . 11 ALA CB 1 1 2 498 1 1 11 ALA H H 2.278 2.047 -1.365 1.00 . A A . 11 ALA H 1 1 2 499 1 1 11 ALA HA H 4.040 1.059 -2.265 1.00 . A A . 11 ALA HA 1 1 2 500 1 1 11 ALA HB1 H 4.748 3.533 -3.832 1.00 . A A . 11 ALA HB1 1 1 2 501 1 1 11 ALA HB2 H 4.776 1.827 -4.336 1.00 . A A . 11 ALA HB2 1 1 2 502 1 1 11 ALA HB3 H 3.224 2.684 -4.180 1.00 . A A . 11 ALA HB3 1 1 2 503 1 1 11 ALA N N 2.941 2.715 -1.704 1.00 . A A . 11 ALA N 1 1 2 504 1 1 11 ALA O O 5.297 2.655 -0.266 1.00 . A A . 11 ALA O 1 1 2 505 1 1 12 LYS C C 8.066 2.209 -0.497 1.00 . A A . 12 LYS C 1 1 2 506 1 1 12 LYS CA C 7.684 3.233 -1.568 1.00 . A A . 12 LYS CA 1 1 2 507 1 1 12 LYS CB C 7.563 4.662 -1.037 1.00 . A A . 12 LYS CB 1 1 2 508 1 1 12 LYS CD C 7.178 5.867 1.145 1.00 . A A . 12 LYS CD 1 1 2 509 1 1 12 LYS CE C 5.964 6.567 1.759 1.00 . A A . 12 LYS CE 1 1 2 510 1 1 12 LYS CG C 6.745 4.699 0.256 1.00 . A A . 12 LYS CG 1 1 2 511 1 1 12 LYS H H 6.489 2.747 -3.203 1.00 . A A . 12 LYS H 1 1 2 512 1 1 12 LYS HA H 8.461 3.237 -2.333 1.00 . A A . 12 LYS HA 1 1 2 513 1 1 12 LYS HB2 H 8.557 5.073 -0.855 1.00 . A A . 12 LYS HB2 1 1 2 514 1 1 12 LYS HB3 H 7.091 5.294 -1.789 1.00 . A A . 12 LYS HB3 1 1 2 515 1 1 12 LYS HD2 H 7.832 5.503 1.937 1.00 . A A . 12 LYS HD2 1 1 2 516 1 1 12 LYS HD3 H 7.755 6.581 0.558 1.00 . A A . 12 LYS HD3 1 1 2 517 1 1 12 LYS HE2 H 5.253 6.829 0.975 1.00 . A A . 12 LYS HE2 1 1 2 518 1 1 12 LYS HE3 H 5.452 5.889 2.440 1.00 . A A . 12 LYS HE3 1 1 2 519 1 1 12 LYS HG2 H 5.686 4.792 0.017 1.00 . A A . 12 LYS HG2 1 1 2 520 1 1 12 LYS HG3 H 6.869 3.761 0.796 1.00 . A A . 12 LYS HG3 1 1 2 521 1 1 12 LYS HZ1 H 7.257 8.107 2.124 1.00 . A A . 12 LYS HZ1 1 1 2 522 1 1 12 LYS HZ2 H 5.691 8.499 2.366 1.00 . A A . 12 LYS HZ2 1 1 2 523 1 1 12 LYS HZ3 H 6.481 7.577 3.458 1.00 . A A . 12 LYS HZ3 1 1 2 524 1 1 12 LYS N N 6.446 2.820 -2.207 1.00 . A A . 12 LYS N 1 1 2 525 1 1 12 LYS NZ N 6.382 7.787 2.485 1.00 . A A . 12 LYS NZ 1 1 2 526 1 1 12 LYS O O 7.276 1.396 -0.015 1.00 . A A . 12 LYS O 1 1 2 527 1 1 13 DPR C C 9.911 -0.107 0.820 1.00 . A A . 13 DPR C 1 1 2 528 1 1 13 DPR CA C 9.874 1.447 1.052 1.00 . A A . 13 DPR CA 1 1 2 529 1 1 13 DPR CB C 11.248 2.116 1.273 1.00 . A A . 13 DPR CB 1 1 2 530 1 1 13 DPR CD C 10.420 3.000 -0.814 1.00 . A A . 13 DPR CD 1 1 2 531 1 1 13 DPR CG C 11.706 2.549 -0.123 1.00 . A A . 13 DPR CG 1 1 2 532 1 1 13 DPR HA H 9.261 1.631 1.958 1.00 . A A . 13 DPR HA 1 1 2 533 1 1 13 DPR HB2 H 11.978 1.450 1.771 1.00 . A A . 13 DPR HB2 1 1 2 534 1 1 13 DPR HB3 H 11.137 3.002 1.929 1.00 . A A . 13 DPR HB3 1 1 2 535 1 1 13 DPR HD2 H 10.437 2.772 -1.897 1.00 . A A . 13 DPR HD2 1 1 2 536 1 1 13 DPR HD3 H 10.274 4.093 -0.698 1.00 . A A . 13 DPR HD3 1 1 2 537 1 1 13 DPR HG2 H 12.481 3.338 -0.098 1.00 . A A . 13 DPR HG2 1 1 2 538 1 1 13 DPR HG3 H 12.142 1.682 -0.660 1.00 . A A . 13 DPR HG3 1 1 2 539 1 1 13 DPR N N 9.365 2.252 -0.098 1.00 . A A . 13 DPR N 1 1 2 540 1 1 13 DPR O O 10.212 -0.597 -0.270 1.00 . A A . 13 DPR O 1 1 2 541 1 1 14 PRO C C 8.962 -3.172 0.818 1.00 . A A . 14 PRO C 1 1 2 542 1 1 14 PRO CA C 9.805 -2.356 1.859 1.00 . A A . 14 PRO CA 1 1 2 543 1 1 14 PRO CB C 9.528 -2.708 3.337 1.00 . A A . 14 PRO CB 1 1 2 544 1 1 14 PRO CD C 9.066 -0.339 3.136 1.00 . A A . 14 PRO CD 1 1 2 545 1 1 14 PRO CG C 8.607 -1.602 3.868 1.00 . A A . 14 PRO CG 1 1 2 546 1 1 14 PRO HA H 10.866 -2.596 1.645 1.00 . A A . 14 PRO HA 1 1 2 547 1 1 14 PRO HB2 H 9.100 -3.720 3.474 1.00 . A A . 14 PRO HB2 1 1 2 548 1 1 14 PRO HB3 H 10.481 -2.702 3.904 1.00 . A A . 14 PRO HB3 1 1 2 549 1 1 14 PRO HD2 H 8.234 0.371 2.955 1.00 . A A . 14 PRO HD2 1 1 2 550 1 1 14 PRO HD3 H 9.848 0.202 3.704 1.00 . A A . 14 PRO HD3 1 1 2 551 1 1 14 PRO HG2 H 7.554 -1.826 3.615 1.00 . A A . 14 PRO HG2 1 1 2 552 1 1 14 PRO HG3 H 8.658 -1.493 4.968 1.00 . A A . 14 PRO HG3 1 1 2 553 1 1 14 PRO N N 9.624 -0.881 1.884 1.00 . A A . 14 PRO N 1 1 2 554 1 1 14 PRO O O 9.504 -3.810 -0.077 1.00 . A A . 14 PRO O 1 1 3 555 1 1 1 THR C C 6.567 -2.556 -1.455 1.00 . A A . 1 THR C 1 1 3 556 1 1 1 THR CA C 7.889 -3.322 -1.524 1.00 . A A . 1 THR CA 1 1 3 557 1 1 1 THR CB C 7.756 -4.799 -1.146 1.00 . A A . 1 THR CB 1 1 3 558 1 1 1 THR CG2 C 7.059 -4.998 0.201 1.00 . A A . 1 THR CG2 1 1 3 559 1 1 1 THR H1 H 8.906 -3.109 0.281 1.00 . A A . 1 THR H1 1 1 3 560 1 1 1 THR HA H 8.253 -3.241 -2.548 1.00 . A A . 1 THR HA 1 1 3 561 1 1 1 THR HB H 8.727 -5.293 -1.159 1.00 . A A . 1 THR HB 1 1 3 562 1 1 1 THR HG1 H 6.526 -6.228 -1.815 1.00 . A A . 1 THR HG1 1 1 3 563 1 1 1 THR HG21 H 5.979 -4.996 0.055 1.00 . A A . 1 THR HG21 1 1 3 564 1 1 1 THR HG22 H 7.365 -5.952 0.631 1.00 . A A . 1 THR HG22 1 1 3 565 1 1 1 THR HG23 H 7.336 -4.189 0.877 1.00 . A A . 1 THR HG23 1 1 3 566 1 1 1 THR N N 8.871 -2.720 -0.639 1.00 . A A . 1 THR N 1 1 3 567 1 1 1 THR O O 6.276 -1.902 -0.454 1.00 . A A . 1 THR O 1 1 3 568 1 1 1 THR OG1 O 6.829 -5.318 -2.096 1.00 . A A . 1 THR OG1 1 1 3 569 1 1 2 TRP C C 3.708 -2.373 -1.365 1.00 . A A . 2 TRP C 1 1 3 570 1 1 2 TRP CA C 4.517 -1.987 -2.605 1.00 . A A . 2 TRP CA 1 1 3 571 1 1 2 TRP CB C 3.798 -2.318 -3.915 1.00 . A A . 2 TRP CB 1 1 3 572 1 1 2 TRP CD1 C 2.249 -4.114 -2.899 1.00 . A A . 2 TRP CD1 1 1 3 573 1 1 2 TRP CD2 C 1.249 -2.859 -4.426 1.00 . A A . 2 TRP CD2 1 1 3 574 1 1 2 TRP CE2 C 0.320 -3.770 -3.968 1.00 . A A . 2 TRP CE2 1 1 3 575 1 1 2 TRP CE3 C 0.921 -1.911 -5.412 1.00 . A A . 2 TRP CE3 1 1 3 576 1 1 2 TRP CG C 2.491 -3.091 -3.730 1.00 . A A . 2 TRP CG 1 1 3 577 1 1 2 TRP CH2 C -1.347 -2.888 -5.420 1.00 . A A . 2 TRP CH2 1 1 3 578 1 1 2 TRP CZ2 C -0.999 -3.823 -4.438 1.00 . A A . 2 TRP CZ2 1 1 3 579 1 1 2 TRP CZ3 C -0.399 -1.978 -5.872 1.00 . A A . 2 TRP CZ3 1 1 3 580 1 1 2 TRP H H 6.046 -3.195 -3.341 1.00 . A A . 2 TRP H 1 1 3 581 1 1 2 TRP HA H 4.704 -0.913 -2.609 1.00 . A A . 2 TRP HA 1 1 3 582 1 1 2 TRP HB2 H 3.588 -1.389 -4.446 1.00 . A A . 2 TRP HB2 1 1 3 583 1 1 2 TRP HB3 H 4.467 -2.901 -4.547 1.00 . A A . 2 TRP HB3 1 1 3 584 1 1 2 TRP HD1 H 2.987 -4.542 -2.221 1.00 . A A . 2 TRP HD1 1 1 3 585 1 1 2 TRP HE1 H 0.494 -5.375 -2.449 1.00 . A A . 2 TRP HE1 1 1 3 586 1 1 2 TRP HE3 H 1.638 -1.182 -5.791 1.00 . A A . 2 TRP HE3 1 1 3 587 1 1 2 TRP HH2 H -2.357 -2.876 -5.829 1.00 . A A . 2 TRP HH2 1 1 3 588 1 1 2 TRP HZ2 H -1.714 -4.553 -4.060 1.00 . A A . 2 TRP HZ2 1 1 3 589 1 1 2 TRP HZ3 H -0.705 -1.264 -6.637 1.00 . A A . 2 TRP HZ3 1 1 3 590 1 1 2 TRP N N 5.801 -2.662 -2.531 1.00 . A A . 2 TRP N 1 1 3 591 1 1 2 TRP NE1 N 0.947 -4.558 -3.010 1.00 . A A . 2 TRP NE1 1 1 3 592 1 1 2 TRP O O 4.200 -3.093 -0.498 1.00 . A A . 2 TRP O 1 1 3 593 1 1 3 LEU C C 0.238 -1.504 -0.451 1.00 . A A . 3 LEU C 1 1 3 594 1 1 3 LEU CA C 1.598 -2.159 -0.202 1.00 . A A . 3 LEU CA 1 1 3 595 1 1 3 LEU CB C 2.252 -1.737 1.116 1.00 . A A . 3 LEU CB 1 1 3 596 1 1 3 LEU CD1 C 0.839 -3.211 2.595 1.00 . A A . 3 LEU CD1 1 1 3 597 1 1 3 LEU CD2 C 3.132 -3.987 1.839 1.00 . A A . 3 LEU CD2 1 1 3 598 1 1 3 LEU CG C 2.261 -2.790 2.227 1.00 . A A . 3 LEU CG 1 1 3 599 1 1 3 LEU H H 2.088 -1.291 -2.030 1.00 . A A . 3 LEU H 1 1 3 600 1 1 3 LEU HA H 1.459 -3.239 -0.162 1.00 . A A . 3 LEU HA 1 1 3 601 1 1 3 LEU HB2 H 3.281 -1.446 0.910 1.00 . A A . 3 LEU HB2 1 1 3 602 1 1 3 LEU HB3 H 1.737 -0.852 1.486 1.00 . A A . 3 LEU HB3 1 1 3 603 1 1 3 LEU HD11 H 0.493 -3.975 1.898 1.00 . A A . 3 LEU HD11 1 1 3 604 1 1 3 LEU HD12 H 0.828 -3.613 3.608 1.00 . A A . 3 LEU HD12 1 1 3 605 1 1 3 LEU HD13 H 0.178 -2.347 2.541 1.00 . A A . 3 LEU HD13 1 1 3 606 1 1 3 LEU HD21 H 4.171 -3.669 1.754 1.00 . A A . 3 LEU HD21 1 1 3 607 1 1 3 LEU HD22 H 3.050 -4.759 2.605 1.00 . A A . 3 LEU HD22 1 1 3 608 1 1 3 LEU HD23 H 2.796 -4.387 0.883 1.00 . A A . 3 LEU HD23 1 1 3 609 1 1 3 LEU HG H 2.706 -2.344 3.116 1.00 . A A . 3 LEU HG 1 1 3 610 1 1 3 LEU N N 2.480 -1.875 -1.321 1.00 . A A . 3 LEU N 1 1 3 611 1 1 3 LEU O O 0.136 -0.555 -1.227 1.00 . A A . 3 LEU O 1 1 3 612 1 1 4 LYS C C -3.006 -2.103 1.184 1.00 . A A . 4 LYS C 1 1 3 613 1 1 4 LYS CA C -2.121 -1.516 0.083 1.00 . A A . 4 LYS CA 1 1 3 614 1 1 4 LYS CB C -2.649 -1.766 -1.330 1.00 . A A . 4 LYS CB 1 1 3 615 1 1 4 LYS CD C -3.912 -3.547 -2.593 1.00 . A A . 4 LYS CD 1 1 3 616 1 1 4 LYS CE C -4.658 -4.827 -2.214 1.00 . A A . 4 LYS CE 1 1 3 617 1 1 4 LYS CG C -2.773 -3.266 -1.611 1.00 . A A . 4 LYS CG 1 1 3 618 1 1 4 LYS H H -0.679 -2.808 0.851 1.00 . A A . 4 LYS H 1 1 3 619 1 1 4 LYS HA H -2.069 -0.435 0.221 1.00 . A A . 4 LYS HA 1 1 3 620 1 1 4 LYS HB2 H -3.622 -1.289 -1.449 1.00 . A A . 4 LYS HB2 1 1 3 621 1 1 4 LYS HB3 H -1.980 -1.311 -2.060 1.00 . A A . 4 LYS HB3 1 1 3 622 1 1 4 LYS HD2 H -4.607 -2.706 -2.601 1.00 . A A . 4 LYS HD2 1 1 3 623 1 1 4 LYS HD3 H -3.512 -3.640 -3.603 1.00 . A A . 4 LYS HD3 1 1 3 624 1 1 4 LYS HE2 H -3.961 -5.553 -1.798 1.00 . A A . 4 LYS HE2 1 1 3 625 1 1 4 LYS HE3 H -5.394 -4.612 -1.439 1.00 . A A . 4 LYS HE3 1 1 3 626 1 1 4 LYS HG2 H -1.835 -3.641 -2.019 1.00 . A A . 4 LYS HG2 1 1 3 627 1 1 4 LYS HG3 H -2.953 -3.800 -0.678 1.00 . A A . 4 LYS HG3 1 1 3 628 1 1 4 LYS HZ1 H -5.570 -6.358 -3.216 1.00 . A A . 4 LYS HZ1 1 1 3 629 1 1 4 LYS HZ2 H -6.166 -4.885 -3.593 1.00 . A A . 4 LYS HZ2 1 1 3 630 1 1 4 LYS HZ3 H -4.720 -5.358 -4.188 1.00 . A A . 4 LYS HZ3 1 1 3 631 1 1 4 LYS N N -0.772 -2.036 0.222 1.00 . A A . 4 LYS N 1 1 3 632 1 1 4 LYS NZ N -5.333 -5.404 -3.399 1.00 . A A . 4 LYS NZ 1 1 3 633 1 1 4 LYS O O -2.550 -2.921 1.981 1.00 . A A . 4 LYS O 1 1 3 634 1 1 5 LYS C C -6.627 -1.811 1.714 1.00 . A A . 5 LYS C 1 1 3 635 1 1 5 LYS CA C -5.208 -2.134 2.183 1.00 . A A . 5 LYS CA 1 1 3 636 1 1 5 LYS CB C -4.873 -1.565 3.564 1.00 . A A . 5 LYS CB 1 1 3 637 1 1 5 LYS CD C -3.849 -2.309 5.745 1.00 . A A . 5 LYS CD 1 1 3 638 1 1 5 LYS CE C -3.243 -3.564 6.377 1.00 . A A . 5 LYS CE 1 1 3 639 1 1 5 LYS CG C -4.813 -2.676 4.615 1.00 . A A . 5 LYS CG 1 1 3 640 1 1 5 LYS H H -4.617 -0.996 0.542 1.00 . A A . 5 LYS H 1 1 3 641 1 1 5 LYS HA H -5.103 -3.217 2.248 1.00 . A A . 5 LYS HA 1 1 3 642 1 1 5 LYS HB2 H -3.916 -1.045 3.525 1.00 . A A . 5 LYS HB2 1 1 3 643 1 1 5 LYS HB3 H -5.623 -0.829 3.850 1.00 . A A . 5 LYS HB3 1 1 3 644 1 1 5 LYS HD2 H -3.054 -1.672 5.358 1.00 . A A . 5 LYS HD2 1 1 3 645 1 1 5 LYS HD3 H -4.377 -1.734 6.506 1.00 . A A . 5 LYS HD3 1 1 3 646 1 1 5 LYS HE2 H -3.722 -4.452 5.967 1.00 . A A . 5 LYS HE2 1 1 3 647 1 1 5 LYS HE3 H -2.184 -3.628 6.128 1.00 . A A . 5 LYS HE3 1 1 3 648 1 1 5 LYS HG2 H -5.808 -2.849 5.023 1.00 . A A . 5 LYS HG2 1 1 3 649 1 1 5 LYS HG3 H -4.493 -3.607 4.147 1.00 . A A . 5 LYS HG3 1 1 3 650 1 1 5 LYS HZ1 H -3.622 -4.458 8.176 1.00 . A A . 5 LYS HZ1 1 1 3 651 1 1 5 LYS HZ2 H -2.565 -3.216 8.274 1.00 . A A . 5 LYS HZ2 1 1 3 652 1 1 5 LYS HZ3 H -4.160 -2.918 8.086 1.00 . A A . 5 LYS HZ3 1 1 3 653 1 1 5 LYS N N -4.254 -1.662 1.193 1.00 . A A . 5 LYS N 1 1 3 654 1 1 5 LYS NZ N -3.411 -3.537 7.847 1.00 . A A . 5 LYS NZ 1 1 3 655 1 1 5 LYS O O -7.320 -2.676 1.180 1.00 . A A . 5 LYS O 1 1 3 656 1 1 6 ARG C C -8.295 1.342 1.075 1.00 . A A . 6 ARG C 1 1 3 657 1 1 6 ARG CA C -8.344 -0.116 1.534 1.00 . A A . 6 ARG CA 1 1 3 658 1 1 6 ARG CB C -9.336 -0.247 2.690 1.00 . A A . 6 ARG CB 1 1 3 659 1 1 6 ARG CD C -11.744 -0.644 3.327 1.00 . A A . 6 ARG CD 1 1 3 660 1 1 6 ARG CG C -10.757 -0.476 2.170 1.00 . A A . 6 ARG CG 1 1 3 661 1 1 6 ARG CZ C -14.116 -1.361 3.587 1.00 . A A . 6 ARG CZ 1 1 3 662 1 1 6 ARG H H -6.449 0.133 2.365 1.00 . A A . 6 ARG H 1 1 3 663 1 1 6 ARG HA H -8.628 -0.776 0.716 1.00 . A A . 6 ARG HA 1 1 3 664 1 1 6 ARG HB2 H -9.042 -1.076 3.335 1.00 . A A . 6 ARG HB2 1 1 3 665 1 1 6 ARG HB3 H -9.310 0.656 3.301 1.00 . A A . 6 ARG HB3 1 1 3 666 1 1 6 ARG HD2 H -11.347 -1.351 4.055 1.00 . A A . 6 ARG HD2 1 1 3 667 1 1 6 ARG HD3 H -11.875 0.307 3.845 1.00 . A A . 6 ARG HD3 1 1 3 668 1 1 6 ARG HE H -13.136 -1.278 1.831 1.00 . A A . 6 ARG HE 1 1 3 669 1 1 6 ARG HG2 H -11.060 0.366 1.547 1.00 . A A . 6 ARG HG2 1 1 3 670 1 1 6 ARG HG3 H -10.778 -1.364 1.538 1.00 . A A . 6 ARG HG3 1 1 3 671 1 1 6 ARG HH11 H -13.191 -0.843 5.322 1.00 . A A . 6 ARG HH11 1 1 3 672 1 1 6 ARG HH12 H -14.841 -1.344 5.487 1.00 . A A . 6 ARG HH12 1 1 3 673 1 1 6 ARG HH21 H -15.312 -1.939 2.047 1.00 . A A . 6 ARG HH21 1 1 3 674 1 1 6 ARG HH22 H -16.056 -1.971 3.611 1.00 . A A . 6 ARG HH22 1 1 3 675 1 1 6 ARG N N -7.018 -0.563 1.929 1.00 . A A . 6 ARG N 1 1 3 676 1 1 6 ARG NE N -13.047 -1.122 2.815 1.00 . A A . 6 ARG NE 1 1 3 677 1 1 6 ARG NH1 N -14.043 -1.166 4.910 1.00 . A A . 6 ARG NH1 1 1 3 678 1 1 6 ARG NH2 N -15.258 -1.794 3.035 1.00 . A A . 6 ARG NH2 1 1 3 679 1 1 6 ARG O O -9.217 2.112 1.343 1.00 . A A . 6 ARG O 1 1 3 680 1 1 7 ARG C C -5.544 3.327 -0.316 1.00 . A A . 7 ARG C 1 1 3 681 1 1 7 ARG CA C -7.031 3.032 -0.108 1.00 . A A . 7 ARG CA 1 1 3 682 1 1 7 ARG CB C -7.618 4.059 0.862 1.00 . A A . 7 ARG CB 1 1 3 683 1 1 7 ARG CD C -8.863 5.794 -0.481 1.00 . A A . 7 ARG CD 1 1 3 684 1 1 7 ARG CG C -8.991 4.540 0.388 1.00 . A A . 7 ARG CG 1 1 3 685 1 1 7 ARG CZ C -10.428 7.532 -1.340 1.00 . A A . 7 ARG CZ 1 1 3 686 1 1 7 ARG H H -6.467 1.047 0.178 1.00 . A A . 7 ARG H 1 1 3 687 1 1 7 ARG HA H -7.572 3.054 -1.054 1.00 . A A . 7 ARG HA 1 1 3 688 1 1 7 ARG HB2 H -7.706 3.619 1.855 1.00 . A A . 7 ARG HB2 1 1 3 689 1 1 7 ARG HB3 H -6.941 4.910 0.949 1.00 . A A . 7 ARG HB3 1 1 3 690 1 1 7 ARG HD2 H -8.281 6.551 0.045 1.00 . A A . 7 ARG HD2 1 1 3 691 1 1 7 ARG HD3 H -8.326 5.557 -1.398 1.00 . A A . 7 ARG HD3 1 1 3 692 1 1 7 ARG HE H -10.998 5.745 -0.612 1.00 . A A . 7 ARG HE 1 1 3 693 1 1 7 ARG HG2 H -9.480 3.749 -0.180 1.00 . A A . 7 ARG HG2 1 1 3 694 1 1 7 ARG HG3 H -9.623 4.752 1.249 1.00 . A A . 7 ARG HG3 1 1 3 695 1 1 7 ARG HH11 H -8.462 8.046 -1.420 1.00 . A A . 7 ARG HH11 1 1 3 696 1 1 7 ARG HH12 H -9.562 9.244 -2.014 1.00 . A A . 7 ARG HH12 1 1 3 697 1 1 7 ARG HH21 H -12.450 7.325 -1.394 1.00 . A A . 7 ARG HH21 1 1 3 698 1 1 7 ARG HH22 H -11.846 8.832 -2.000 1.00 . A A . 7 ARG HH22 1 1 3 699 1 1 7 ARG N N -7.211 1.679 0.392 1.00 . A A . 7 ARG N 1 1 3 700 1 1 7 ARG NE N -10.206 6.324 -0.804 1.00 . A A . 7 ARG NE 1 1 3 701 1 1 7 ARG NH1 N -9.397 8.343 -1.614 1.00 . A A . 7 ARG NH1 1 1 3 702 1 1 7 ARG NH2 N -11.681 7.930 -1.600 1.00 . A A . 7 ARG NH2 1 1 3 703 1 1 7 ARG O O -5.186 4.210 -1.094 1.00 . A A . 7 ARG O 1 1 3 704 1 1 8 TRP C C -2.797 1.990 -0.945 1.00 . A A . 8 TRP C 1 1 3 705 1 1 8 TRP CA C -3.279 2.742 0.297 1.00 . A A . 8 TRP CA 1 1 3 706 1 1 8 TRP CB C -2.585 2.283 1.581 1.00 . A A . 8 TRP CB 1 1 3 707 1 1 8 TRP CD1 C -2.419 4.358 3.105 1.00 . A A . 8 TRP CD1 1 1 3 708 1 1 8 TRP CD2 C -3.802 2.812 3.882 1.00 . A A . 8 TRP CD2 1 1 3 709 1 1 8 TRP CE2 C -3.805 3.858 4.781 1.00 . A A . 8 TRP CE2 1 1 3 710 1 1 8 TRP CE3 C -4.586 1.664 4.090 1.00 . A A . 8 TRP CE3 1 1 3 711 1 1 8 TRP CG C -2.903 3.147 2.803 1.00 . A A . 8 TRP CG 1 1 3 712 1 1 8 TRP CH2 C -5.363 2.728 6.180 1.00 . A A . 8 TRP CH2 1 1 3 713 1 1 8 TRP CZ2 C -4.574 3.861 5.952 1.00 . A A . 8 TRP CZ2 1 1 3 714 1 1 8 TRP CZ3 C -5.349 1.682 5.264 1.00 . A A . 8 TRP CZ3 1 1 3 715 1 1 8 TRP H H -5.019 1.856 1.024 1.00 . A A . 8 TRP H 1 1 3 716 1 1 8 TRP HA H -3.076 3.808 0.190 1.00 . A A . 8 TRP HA 1 1 3 717 1 1 8 TRP HB2 H -2.876 1.254 1.791 1.00 . A A . 8 TRP HB2 1 1 3 718 1 1 8 TRP HB3 H -1.507 2.283 1.420 1.00 . A A . 8 TRP HB3 1 1 3 719 1 1 8 TRP HD1 H -1.705 4.905 2.489 1.00 . A A . 8 TRP HD1 1 1 3 720 1 1 8 TRP HE1 H -2.708 5.785 4.766 1.00 . A A . 8 TRP HE1 1 1 3 721 1 1 8 TRP HE3 H -4.601 0.825 3.395 1.00 . A A . 8 TRP HE3 1 1 3 722 1 1 8 TRP HH2 H -5.986 2.665 7.072 1.00 . A A . 8 TRP HH2 1 1 3 723 1 1 8 TRP HZ2 H -4.559 4.700 6.647 1.00 . A A . 8 TRP HZ2 1 1 3 724 1 1 8 TRP HZ3 H -5.976 0.816 5.474 1.00 . A A . 8 TRP HZ3 1 1 3 725 1 1 8 TRP N N -4.719 2.572 0.394 1.00 . A A . 8 TRP N 1 1 3 726 1 1 8 TRP NE1 N -2.937 4.829 4.294 1.00 . A A . 8 TRP NE1 1 1 3 727 1 1 8 TRP O O -3.202 0.853 -1.183 1.00 . A A . 8 TRP O 1 1 3 728 1 1 9 LYS C C -0.020 2.666 -3.201 1.00 . A A . 9 LYS C 1 1 3 729 1 1 9 LYS CA C -1.397 2.063 -2.915 1.00 . A A . 9 LYS CA 1 1 3 730 1 1 9 LYS CB C -2.385 2.213 -4.073 1.00 . A A . 9 LYS CB 1 1 3 731 1 1 9 LYS CD C -2.391 1.756 -6.554 1.00 . A A . 9 LYS CD 1 1 3 732 1 1 9 LYS CE C -1.144 1.683 -7.439 1.00 . A A . 9 LYS CE 1 1 3 733 1 1 9 LYS CG C -2.111 1.176 -5.166 1.00 . A A . 9 LYS CG 1 1 3 734 1 1 9 LYS H H -1.613 3.578 -1.503 1.00 . A A . 9 LYS H 1 1 3 735 1 1 9 LYS HA H -1.274 0.996 -2.731 1.00 . A A . 9 LYS HA 1 1 3 736 1 1 9 LYS HB2 H -3.404 2.097 -3.705 1.00 . A A . 9 LYS HB2 1 1 3 737 1 1 9 LYS HB3 H -2.311 3.217 -4.492 1.00 . A A . 9 LYS HB3 1 1 3 738 1 1 9 LYS HD2 H -3.208 1.208 -7.023 1.00 . A A . 9 LYS HD2 1 1 3 739 1 1 9 LYS HD3 H -2.714 2.793 -6.460 1.00 . A A . 9 LYS HD3 1 1 3 740 1 1 9 LYS HE2 H -0.748 0.667 -7.436 1.00 . A A . 9 LYS HE2 1 1 3 741 1 1 9 LYS HE3 H -1.410 1.919 -8.469 1.00 . A A . 9 LYS HE3 1 1 3 742 1 1 9 LYS HG2 H -1.074 0.847 -5.107 1.00 . A A . 9 LYS HG2 1 1 3 743 1 1 9 LYS HG3 H -2.735 0.298 -5.002 1.00 . A A . 9 LYS HG3 1 1 3 744 1 1 9 LYS HZ1 H -0.171 3.480 -7.477 1.00 . A A . 9 LYS HZ1 1 1 3 745 1 1 9 LYS HZ2 H -0.258 2.815 -5.987 1.00 . A A . 9 LYS HZ2 1 1 3 746 1 1 9 LYS HZ3 H 0.795 2.222 -7.086 1.00 . A A . 9 LYS HZ3 1 1 3 747 1 1 9 LYS N N -1.938 2.655 -1.704 1.00 . A A . 9 LYS N 1 1 3 748 1 1 9 LYS NZ N -0.111 2.626 -6.958 1.00 . A A . 9 LYS NZ 1 1 3 749 1 1 9 LYS O O 0.438 2.664 -4.342 1.00 . A A . 9 LYS O 1 1 3 750 1 1 10 LYS C C 2.978 2.673 -2.309 1.00 . A A . 10 LYS C 1 1 3 751 1 1 10 LYS CA C 1.917 3.774 -2.266 1.00 . A A . 10 LYS CA 1 1 3 752 1 1 10 LYS CB C 2.140 4.801 -1.154 1.00 . A A . 10 LYS CB 1 1 3 753 1 1 10 LYS CD C 1.207 7.040 -1.843 1.00 . A A . 10 LYS CD 1 1 3 754 1 1 10 LYS CE C 1.493 8.333 -2.610 1.00 . A A . 10 LYS CE 1 1 3 755 1 1 10 LYS CG C 2.467 6.178 -1.735 1.00 . A A . 10 LYS CG 1 1 3 756 1 1 10 LYS H H 0.222 3.167 -1.218 1.00 . A A . 10 LYS H 1 1 3 757 1 1 10 LYS HA H 1.941 4.315 -3.213 1.00 . A A . 10 LYS HA 1 1 3 758 1 1 10 LYS HB2 H 1.249 4.868 -0.531 1.00 . A A . 10 LYS HB2 1 1 3 759 1 1 10 LYS HB3 H 2.954 4.472 -0.509 1.00 . A A . 10 LYS HB3 1 1 3 760 1 1 10 LYS HD2 H 0.421 6.479 -2.349 1.00 . A A . 10 LYS HD2 1 1 3 761 1 1 10 LYS HD3 H 0.839 7.278 -0.846 1.00 . A A . 10 LYS HD3 1 1 3 762 1 1 10 LYS HE2 H 2.542 8.606 -2.497 1.00 . A A . 10 LYS HE2 1 1 3 763 1 1 10 LYS HE3 H 1.317 8.178 -3.675 1.00 . A A . 10 LYS HE3 1 1 3 764 1 1 10 LYS HG2 H 3.201 6.678 -1.104 1.00 . A A . 10 LYS HG2 1 1 3 765 1 1 10 LYS HG3 H 2.919 6.062 -2.720 1.00 . A A . 10 LYS HG3 1 1 3 766 1 1 10 LYS HZ1 H -0.061 9.647 -2.801 1.00 . A A . 10 LYS HZ1 1 1 3 767 1 1 10 LYS HZ2 H 0.185 9.146 -1.266 1.00 . A A . 10 LYS HZ2 1 1 3 768 1 1 10 LYS HZ3 H 1.192 10.240 -1.939 1.00 . A A . 10 LYS HZ3 1 1 3 769 1 1 10 LYS N N 0.602 3.169 -2.144 1.00 . A A . 10 LYS N 1 1 3 770 1 1 10 LYS NZ N 0.632 9.430 -2.114 1.00 . A A . 10 LYS NZ 1 1 3 771 1 1 10 LYS O O 3.416 2.270 -3.386 1.00 . A A . 10 LYS O 1 1 3 772 1 1 11 ALA C C 4.923 1.157 0.410 1.00 . A A . 11 ALA C 1 1 3 773 1 1 11 ALA CA C 4.364 1.173 -1.015 1.00 . A A . 11 ALA CA 1 1 3 774 1 1 11 ALA CB C 5.453 1.395 -2.066 1.00 . A A . 11 ALA CB 1 1 3 775 1 1 11 ALA H H 3.001 2.553 -0.255 1.00 . A A . 11 ALA H 1 1 3 776 1 1 11 ALA HA H 3.873 0.220 -1.214 1.00 . A A . 11 ALA HA 1 1 3 777 1 1 11 ALA HB1 H 5.129 0.976 -3.019 1.00 . A A . 11 ALA HB1 1 1 3 778 1 1 11 ALA HB2 H 5.635 2.463 -2.181 1.00 . A A . 11 ALA HB2 1 1 3 779 1 1 11 ALA HB3 H 6.372 0.903 -1.746 1.00 . A A . 11 ALA HB3 1 1 3 780 1 1 11 ALA N N 3.362 2.219 -1.126 1.00 . A A . 11 ALA N 1 1 3 781 1 1 11 ALA O O 4.508 0.343 1.234 1.00 . A A . 11 ALA O 1 1 3 782 1 1 12 LYS C C 7.682 1.227 2.027 1.00 . A A . 12 LYS C 1 1 3 783 1 1 12 LYS CA C 6.476 2.165 1.966 1.00 . A A . 12 LYS CA 1 1 3 784 1 1 12 LYS CB C 5.444 1.914 3.068 1.00 . A A . 12 LYS CB 1 1 3 785 1 1 12 LYS CD C 4.350 3.257 4.900 1.00 . A A . 12 LYS CD 1 1 3 786 1 1 12 LYS CE C 4.169 2.590 6.264 1.00 . A A . 12 LYS CE 1 1 3 787 1 1 12 LYS CG C 5.677 2.845 4.259 1.00 . A A . 12 LYS CG 1 1 3 788 1 1 12 LYS H H 6.188 2.723 -0.021 1.00 . A A . 12 LYS H 1 1 3 789 1 1 12 LYS HA H 6.829 3.190 2.082 1.00 . A A . 12 LYS HA 1 1 3 790 1 1 12 LYS HB2 H 4.440 2.067 2.672 1.00 . A A . 12 LYS HB2 1 1 3 791 1 1 12 LYS HB3 H 5.503 0.876 3.395 1.00 . A A . 12 LYS HB3 1 1 3 792 1 1 12 LYS HD2 H 4.319 4.342 5.014 1.00 . A A . 12 LYS HD2 1 1 3 793 1 1 12 LYS HD3 H 3.525 2.983 4.244 1.00 . A A . 12 LYS HD3 1 1 3 794 1 1 12 LYS HE2 H 4.921 1.812 6.397 1.00 . A A . 12 LYS HE2 1 1 3 795 1 1 12 LYS HE3 H 4.323 3.322 7.057 1.00 . A A . 12 LYS HE3 1 1 3 796 1 1 12 LYS HG2 H 6.302 2.345 4.999 1.00 . A A . 12 LYS HG2 1 1 3 797 1 1 12 LYS HG3 H 6.219 3.731 3.932 1.00 . A A . 12 LYS HG3 1 1 3 798 1 1 12 LYS HZ1 H 2.225 2.385 5.665 1.00 . A A . 12 LYS HZ1 1 1 3 799 1 1 12 LYS HZ2 H 2.870 1.011 6.269 1.00 . A A . 12 LYS HZ2 1 1 3 800 1 1 12 LYS HZ3 H 2.433 2.219 7.277 1.00 . A A . 12 LYS HZ3 1 1 3 801 1 1 12 LYS N N 5.856 2.065 0.655 1.00 . A A . 12 LYS N 1 1 3 802 1 1 12 LYS NZ N 2.815 2.003 6.378 1.00 . A A . 12 LYS NZ 1 1 3 803 1 1 12 LYS O O 7.618 0.053 2.391 1.00 . A A . 12 LYS O 1 1 3 804 1 1 13 DPR C C 10.442 -0.064 0.752 1.00 . A A . 13 DPR C 1 1 3 805 1 1 13 DPR CA C 10.168 1.073 1.801 1.00 . A A . 13 DPR CA 1 1 3 806 1 1 13 DPR CB C 11.142 2.271 1.747 1.00 . A A . 13 DPR CB 1 1 3 807 1 1 13 DPR CD C 8.993 3.154 1.105 1.00 . A A . 13 DPR CD 1 1 3 808 1 1 13 DPR CG C 10.484 3.276 0.799 1.00 . A A . 13 DPR CG 1 1 3 809 1 1 13 DPR HA H 10.248 0.621 2.810 1.00 . A A . 13 DPR HA 1 1 3 810 1 1 13 DPR HB2 H 12.161 1.985 1.421 1.00 . A A . 13 DPR HB2 1 1 3 811 1 1 13 DPR HB3 H 11.254 2.715 2.756 1.00 . A A . 13 DPR HB3 1 1 3 812 1 1 13 DPR HD2 H 8.376 3.309 0.197 1.00 . A A . 13 DPR HD2 1 1 3 813 1 1 13 DPR HD3 H 8.682 3.905 1.857 1.00 . A A . 13 DPR HD3 1 1 3 814 1 1 13 DPR HG2 H 10.866 4.306 0.928 1.00 . A A . 13 DPR HG2 1 1 3 815 1 1 13 DPR HG3 H 10.682 2.985 -0.253 1.00 . A A . 13 DPR HG3 1 1 3 816 1 1 13 DPR N N 8.863 1.784 1.646 1.00 . A A . 13 DPR N 1 1 3 817 1 1 13 DPR O O 10.511 0.165 -0.457 1.00 . A A . 13 DPR O 1 1 3 818 1 1 14 PRO C C 10.193 -2.800 -0.852 1.00 . A A . 14 PRO C 1 1 3 819 1 1 14 PRO CA C 11.074 -2.435 0.391 1.00 . A A . 14 PRO CA 1 1 3 820 1 1 14 PRO CB C 11.209 -3.558 1.445 1.00 . A A . 14 PRO CB 1 1 3 821 1 1 14 PRO CD C 10.267 -1.667 2.629 1.00 . A A . 14 PRO CD 1 1 3 822 1 1 14 PRO CG C 10.236 -3.195 2.573 1.00 . A A . 14 PRO CG 1 1 3 823 1 1 14 PRO HA H 12.085 -2.218 -0.005 1.00 . A A . 14 PRO HA 1 1 3 824 1 1 14 PRO HB2 H 11.025 -4.569 1.033 1.00 . A A . 14 PRO HB2 1 1 3 825 1 1 14 PRO HB3 H 12.245 -3.574 1.837 1.00 . A A . 14 PRO HB3 1 1 3 826 1 1 14 PRO HD2 H 9.296 -1.235 2.942 1.00 . A A . 14 PRO HD2 1 1 3 827 1 1 14 PRO HD3 H 11.037 -1.299 3.335 1.00 . A A . 14 PRO HD3 1 1 3 828 1 1 14 PRO HG2 H 9.215 -3.546 2.327 1.00 . A A . 14 PRO HG2 1 1 3 829 1 1 14 PRO HG3 H 10.509 -3.658 3.540 1.00 . A A . 14 PRO HG3 1 1 3 830 1 1 14 PRO N N 10.624 -1.305 1.247 1.00 . A A . 14 PRO N 1 1 3 831 1 1 14 PRO O O 10.688 -3.302 -1.855 1.00 . A A . 14 PRO O 1 1 4 832 1 1 1 THR C C 5.257 -2.161 1.765 1.00 . A A . 1 THR C 1 1 4 833 1 1 1 THR CA C 6.407 -3.135 2.029 1.00 . A A . 1 THR CA 1 1 4 834 1 1 1 THR CB C 6.955 -3.054 3.455 1.00 . A A . 1 THR CB 1 1 4 835 1 1 1 THR CG2 C 7.615 -1.706 3.753 1.00 . A A . 1 THR CG2 1 1 4 836 1 1 1 THR H1 H 8.354 -2.581 1.541 1.00 . A A . 1 THR H1 1 1 4 837 1 1 1 THR HA H 6.024 -4.138 1.844 1.00 . A A . 1 THR HA 1 1 4 838 1 1 1 THR HB H 7.643 -3.877 3.655 1.00 . A A . 1 THR HB 1 1 4 839 1 1 1 THR HG1 H 5.300 -2.193 4.180 1.00 . A A . 1 THR HG1 1 1 4 840 1 1 1 THR HG21 H 7.512 -1.052 2.887 1.00 . A A . 1 THR HG21 1 1 4 841 1 1 1 THR HG22 H 7.131 -1.246 4.615 1.00 . A A . 1 THR HG22 1 1 4 842 1 1 1 THR HG23 H 8.673 -1.859 3.970 1.00 . A A . 1 THR HG23 1 1 4 843 1 1 1 THR N N 7.504 -2.886 1.111 1.00 . A A . 1 THR N 1 1 4 844 1 1 1 THR O O 4.522 -1.797 2.682 1.00 . A A . 1 THR O 1 1 4 845 1 1 1 THR OG1 O 5.791 -3.059 4.277 1.00 . A A . 1 THR OG1 1 1 4 846 1 1 2 TRP C C 2.741 -1.490 0.420 1.00 . A A . 2 TRP C 1 1 4 847 1 1 2 TRP CA C 4.091 -0.839 0.109 1.00 . A A . 2 TRP CA 1 1 4 848 1 1 2 TRP CB C 4.238 -0.442 -1.361 1.00 . A A . 2 TRP CB 1 1 4 849 1 1 2 TRP CD1 C 5.517 -2.357 -2.526 1.00 . A A . 2 TRP CD1 1 1 4 850 1 1 2 TRP CD2 C 3.404 -2.197 -3.172 1.00 . A A . 2 TRP CD2 1 1 4 851 1 1 2 TRP CE2 C 3.968 -3.250 -3.863 1.00 . A A . 2 TRP CE2 1 1 4 852 1 1 2 TRP CE3 C 2.058 -1.835 -3.359 1.00 . A A . 2 TRP CE3 1 1 4 853 1 1 2 TRP CG C 4.413 -1.629 -2.311 1.00 . A A . 2 TRP CG 1 1 4 854 1 1 2 TRP CH2 C 1.918 -3.683 -4.992 1.00 . A A . 2 TRP CH2 1 1 4 855 1 1 2 TRP CZ2 C 3.260 -4.026 -4.789 1.00 . A A . 2 TRP CZ2 1 1 4 856 1 1 2 TRP CZ3 C 1.364 -2.620 -4.288 1.00 . A A . 2 TRP CZ3 1 1 4 857 1 1 2 TRP H H 5.739 -2.064 -0.234 1.00 . A A . 2 TRP H 1 1 4 858 1 1 2 TRP HA H 4.210 0.071 0.697 1.00 . A A . 2 TRP HA 1 1 4 859 1 1 2 TRP HB2 H 3.358 0.126 -1.663 1.00 . A A . 2 TRP HB2 1 1 4 860 1 1 2 TRP HB3 H 5.097 0.222 -1.464 1.00 . A A . 2 TRP HB3 1 1 4 861 1 1 2 TRP HD1 H 6.472 -2.187 -2.028 1.00 . A A . 2 TRP HD1 1 1 4 862 1 1 2 TRP HE1 H 6.023 -4.079 -3.813 1.00 . A A . 2 TRP HE1 1 1 4 863 1 1 2 TRP HE3 H 1.590 -1.008 -2.825 1.00 . A A . 2 TRP HE3 1 1 4 864 1 1 2 TRP HH2 H 1.310 -4.247 -5.699 1.00 . A A . 2 TRP HH2 1 1 4 865 1 1 2 TRP HZ2 H 3.728 -4.852 -5.323 1.00 . A A . 2 TRP HZ2 1 1 4 866 1 1 2 TRP HZ3 H 0.317 -2.381 -4.470 1.00 . A A . 2 TRP HZ3 1 1 4 867 1 1 2 TRP N N 5.138 -1.764 0.506 1.00 . A A . 2 TRP N 1 1 4 868 1 1 2 TRP NE1 N 5.293 -3.350 -3.459 1.00 . A A . 2 TRP NE1 1 1 4 869 1 1 2 TRP O O 1.977 -0.981 1.239 1.00 . A A . 2 TRP O 1 1 4 870 1 1 3 LEU C C 0.067 -2.410 -0.377 1.00 . A A . 3 LEU C 1 1 4 871 1 1 3 LEU CA C 1.246 -3.331 -0.056 1.00 . A A . 3 LEU CA 1 1 4 872 1 1 3 LEU CB C 1.191 -3.932 1.350 1.00 . A A . 3 LEU CB 1 1 4 873 1 1 3 LEU CD1 C 2.065 -5.750 2.864 1.00 . A A . 3 LEU CD1 1 1 4 874 1 1 3 LEU CD2 C 0.378 -6.300 1.051 1.00 . A A . 3 LEU CD2 1 1 4 875 1 1 3 LEU CG C 1.556 -5.414 1.461 1.00 . A A . 3 LEU CG 1 1 4 876 1 1 3 LEU H H 3.117 -3.011 -0.914 1.00 . A A . 3 LEU H 1 1 4 877 1 1 3 LEU HA H 1.239 -4.160 -0.761 1.00 . A A . 3 LEU HA 1 1 4 878 1 1 3 LEU HB2 H 1.862 -3.364 1.994 1.00 . A A . 3 LEU HB2 1 1 4 879 1 1 3 LEU HB3 H 0.183 -3.796 1.743 1.00 . A A . 3 LEU HB3 1 1 4 880 1 1 3 LEU HD11 H 1.237 -5.705 3.571 1.00 . A A . 3 LEU HD11 1 1 4 881 1 1 3 LEU HD12 H 2.490 -6.754 2.866 1.00 . A A . 3 LEU HD12 1 1 4 882 1 1 3 LEU HD13 H 2.830 -5.030 3.154 1.00 . A A . 3 LEU HD13 1 1 4 883 1 1 3 LEU HD21 H 0.554 -6.697 0.050 1.00 . A A . 3 LEU HD21 1 1 4 884 1 1 3 LEU HD22 H 0.281 -7.125 1.756 1.00 . A A . 3 LEU HD22 1 1 4 885 1 1 3 LEU HD23 H -0.538 -5.711 1.053 1.00 . A A . 3 LEU HD23 1 1 4 886 1 1 3 LEU HG H 2.370 -5.618 0.765 1.00 . A A . 3 LEU HG 1 1 4 887 1 1 3 LEU N N 2.489 -2.605 -0.250 1.00 . A A . 3 LEU N 1 1 4 888 1 1 3 LEU O O 0.225 -1.191 -0.437 1.00 . A A . 3 LEU O 1 1 4 889 1 1 4 LYS C C -3.485 -2.914 -0.173 1.00 . A A . 4 LYS C 1 1 4 890 1 1 4 LYS CA C -2.292 -2.278 -0.890 1.00 . A A . 4 LYS CA 1 1 4 891 1 1 4 LYS CB C -2.475 -2.166 -2.405 1.00 . A A . 4 LYS CB 1 1 4 892 1 1 4 LYS CD C -3.184 -3.423 -4.473 1.00 . A A . 4 LYS CD 1 1 4 893 1 1 4 LYS CE C -4.185 -4.535 -4.795 1.00 . A A . 4 LYS CE 1 1 4 894 1 1 4 LYS CG C -2.671 -3.546 -3.037 1.00 . A A . 4 LYS CG 1 1 4 895 1 1 4 LYS H H -1.208 -4.018 -0.526 1.00 . A A . 4 LYS H 1 1 4 896 1 1 4 LYS HA H -2.157 -1.267 -0.507 1.00 . A A . 4 LYS HA 1 1 4 897 1 1 4 LYS HB2 H -3.335 -1.534 -2.626 1.00 . A A . 4 LYS HB2 1 1 4 898 1 1 4 LYS HB3 H -1.603 -1.681 -2.845 1.00 . A A . 4 LYS HB3 1 1 4 899 1 1 4 LYS HD2 H -3.657 -2.451 -4.612 1.00 . A A . 4 LYS HD2 1 1 4 900 1 1 4 LYS HD3 H -2.346 -3.472 -5.168 1.00 . A A . 4 LYS HD3 1 1 4 901 1 1 4 LYS HE2 H -4.171 -5.286 -4.004 1.00 . A A . 4 LYS HE2 1 1 4 902 1 1 4 LYS HE3 H -5.195 -4.125 -4.826 1.00 . A A . 4 LYS HE3 1 1 4 903 1 1 4 LYS HG2 H -1.727 -4.091 -3.029 1.00 . A A . 4 LYS HG2 1 1 4 904 1 1 4 LYS HG3 H -3.378 -4.125 -2.442 1.00 . A A . 4 LYS HG3 1 1 4 905 1 1 4 LYS HZ1 H -2.867 -5.170 -6.222 1.00 . A A . 4 LYS HZ1 1 1 4 906 1 1 4 LYS HZ2 H -4.199 -6.107 -6.100 1.00 . A A . 4 LYS HZ2 1 1 4 907 1 1 4 LYS HZ3 H -4.290 -4.649 -6.833 1.00 . A A . 4 LYS HZ3 1 1 4 908 1 1 4 LYS N N -1.087 -3.027 -0.577 1.00 . A A . 4 LYS N 1 1 4 909 1 1 4 LYS NZ N -3.859 -5.166 -6.093 1.00 . A A . 4 LYS NZ 1 1 4 910 1 1 4 LYS O O -3.374 -3.321 0.983 1.00 . A A . 4 LYS O 1 1 4 911 1 1 5 LYS C C -6.419 -2.586 0.680 1.00 . A A . 5 LYS C 1 1 4 912 1 1 5 LYS CA C -5.811 -3.559 -0.333 1.00 . A A . 5 LYS CA 1 1 4 913 1 1 5 LYS CB C -5.526 -4.948 0.242 1.00 . A A . 5 LYS CB 1 1 4 914 1 1 5 LYS CD C -5.251 -6.512 -1.718 1.00 . A A . 5 LYS CD 1 1 4 915 1 1 5 LYS CE C -5.414 -8.012 -1.969 1.00 . A A . 5 LYS CE 1 1 4 916 1 1 5 LYS CG C -6.187 -6.038 -0.604 1.00 . A A . 5 LYS CG 1 1 4 917 1 1 5 LYS H H -4.681 -2.646 -1.827 1.00 . A A . 5 LYS H 1 1 4 918 1 1 5 LYS HA H -6.515 -3.689 -1.155 1.00 . A A . 5 LYS HA 1 1 4 919 1 1 5 LYS HB2 H -4.450 -5.116 0.280 1.00 . A A . 5 LYS HB2 1 1 4 920 1 1 5 LYS HB3 H -5.894 -5.003 1.266 1.00 . A A . 5 LYS HB3 1 1 4 921 1 1 5 LYS HD2 H -5.461 -5.961 -2.634 1.00 . A A . 5 LYS HD2 1 1 4 922 1 1 5 LYS HD3 H -4.218 -6.296 -1.446 1.00 . A A . 5 LYS HD3 1 1 4 923 1 1 5 LYS HE2 H -4.435 -8.476 -2.089 1.00 . A A . 5 LYS HE2 1 1 4 924 1 1 5 LYS HE3 H -5.887 -8.483 -1.107 1.00 . A A . 5 LYS HE3 1 1 4 925 1 1 5 LYS HG2 H -6.459 -6.881 0.031 1.00 . A A . 5 LYS HG2 1 1 4 926 1 1 5 LYS HG3 H -7.110 -5.655 -1.039 1.00 . A A . 5 LYS HG3 1 1 4 927 1 1 5 LYS HZ1 H -5.646 -8.218 -3.989 1.00 . A A . 5 LYS HZ1 1 1 4 928 1 1 5 LYS HZ2 H -6.668 -9.147 -3.118 1.00 . A A . 5 LYS HZ2 1 1 4 929 1 1 5 LYS HZ3 H -6.934 -7.541 -3.251 1.00 . A A . 5 LYS HZ3 1 1 4 930 1 1 5 LYS N N -4.598 -2.980 -0.887 1.00 . A A . 5 LYS N 1 1 4 931 1 1 5 LYS NZ N -6.232 -8.249 -3.180 1.00 . A A . 5 LYS NZ 1 1 4 932 1 1 5 LYS O O -7.015 -3.008 1.669 1.00 . A A . 5 LYS O 1 1 4 933 1 1 6 ARG C C -6.171 1.091 0.903 1.00 . A A . 6 ARG C 1 1 4 934 1 1 6 ARG CA C -6.771 -0.269 1.270 1.00 . A A . 6 ARG CA 1 1 4 935 1 1 6 ARG CB C -6.461 -0.576 2.737 1.00 . A A . 6 ARG CB 1 1 4 936 1 1 6 ARG CD C -7.722 0.256 4.756 1.00 . A A . 6 ARG CD 1 1 4 937 1 1 6 ARG CG C -7.748 -0.694 3.557 1.00 . A A . 6 ARG CG 1 1 4 938 1 1 6 ARG CZ C -9.410 1.328 6.244 1.00 . A A . 6 ARG CZ 1 1 4 939 1 1 6 ARG H H -5.761 -0.970 -0.410 1.00 . A A . 6 ARG H 1 1 4 940 1 1 6 ARG HA H -7.849 -0.280 1.101 1.00 . A A . 6 ARG HA 1 1 4 941 1 1 6 ARG HB2 H -5.896 -1.506 2.805 1.00 . A A . 6 ARG HB2 1 1 4 942 1 1 6 ARG HB3 H -5.832 0.212 3.152 1.00 . A A . 6 ARG HB3 1 1 4 943 1 1 6 ARG HD2 H -7.106 -0.165 5.550 1.00 . A A . 6 ARG HD2 1 1 4 944 1 1 6 ARG HD3 H -7.270 1.205 4.469 1.00 . A A . 6 ARG HD3 1 1 4 945 1 1 6 ARG HE H -9.842 -0.027 4.819 1.00 . A A . 6 ARG HE 1 1 4 946 1 1 6 ARG HG2 H -8.607 -0.465 2.926 1.00 . A A . 6 ARG HG2 1 1 4 947 1 1 6 ARG HG3 H -7.870 -1.719 3.903 1.00 . A A . 6 ARG HG3 1 1 4 948 1 1 6 ARG HH11 H -7.494 1.927 6.565 1.00 . A A . 6 ARG HH11 1 1 4 949 1 1 6 ARG HH12 H -8.678 2.664 7.591 1.00 . A A . 6 ARG HH12 1 1 4 950 1 1 6 ARG HH21 H -11.405 0.944 6.174 1.00 . A A . 6 ARG HH21 1 1 4 951 1 1 6 ARG HH22 H -10.919 2.101 7.367 1.00 . A A . 6 ARG HH22 1 1 4 952 1 1 6 ARG N N -6.247 -1.304 0.396 1.00 . A A . 6 ARG N 1 1 4 953 1 1 6 ARG NE N -9.098 0.483 5.252 1.00 . A A . 6 ARG NE 1 1 4 954 1 1 6 ARG NH1 N -8.446 2.033 6.851 1.00 . A A . 6 ARG NH1 1 1 4 955 1 1 6 ARG NH2 N -10.686 1.470 6.627 1.00 . A A . 6 ARG NH2 1 1 4 956 1 1 6 ARG O O -5.629 1.259 -0.188 1.00 . A A . 6 ARG O 1 1 4 957 1 1 7 ARG C C -4.306 3.296 1.166 1.00 . A A . 7 ARG C 1 1 4 958 1 1 7 ARG CA C -5.764 3.363 1.624 1.00 . A A . 7 ARG CA 1 1 4 959 1 1 7 ARG CB C -5.851 4.197 2.903 1.00 . A A . 7 ARG CB 1 1 4 960 1 1 7 ARG CD C -7.469 5.941 3.744 1.00 . A A . 7 ARG CD 1 1 4 961 1 1 7 ARG CG C -6.496 5.558 2.627 1.00 . A A . 7 ARG CG 1 1 4 962 1 1 7 ARG CZ C -9.720 6.998 3.895 1.00 . A A . 7 ARG CZ 1 1 4 963 1 1 7 ARG H H -6.730 1.879 2.721 1.00 . A A . 7 ARG H 1 1 4 964 1 1 7 ARG HA H -6.399 3.792 0.848 1.00 . A A . 7 ARG HA 1 1 4 965 1 1 7 ARG HB2 H -6.434 3.661 3.653 1.00 . A A . 7 ARG HB2 1 1 4 966 1 1 7 ARG HB3 H -4.854 4.341 3.318 1.00 . A A . 7 ARG HB3 1 1 4 967 1 1 7 ARG HD2 H -7.740 5.056 4.321 1.00 . A A . 7 ARG HD2 1 1 4 968 1 1 7 ARG HD3 H -6.990 6.636 4.433 1.00 . A A . 7 ARG HD3 1 1 4 969 1 1 7 ARG HE H -8.735 6.653 2.174 1.00 . A A . 7 ARG HE 1 1 4 970 1 1 7 ARG HG2 H -5.722 6.320 2.538 1.00 . A A . 7 ARG HG2 1 1 4 971 1 1 7 ARG HG3 H -7.024 5.527 1.675 1.00 . A A . 7 ARG HG3 1 1 4 972 1 1 7 ARG HH11 H -8.903 6.484 5.685 1.00 . A A . 7 ARG HH11 1 1 4 973 1 1 7 ARG HH12 H -10.469 7.221 5.773 1.00 . A A . 7 ARG HH12 1 1 4 974 1 1 7 ARG HH21 H -10.800 7.625 2.289 1.00 . A A . 7 ARG HH21 1 1 4 975 1 1 7 ARG HH22 H -11.554 7.874 3.828 1.00 . A A . 7 ARG HH22 1 1 4 976 1 1 7 ARG N N -6.289 2.025 1.836 1.00 . A A . 7 ARG N 1 1 4 977 1 1 7 ARG NE N -8.684 6.558 3.168 1.00 . A A . 7 ARG NE 1 1 4 978 1 1 7 ARG NH1 N -9.695 6.892 5.230 1.00 . A A . 7 ARG NH1 1 1 4 979 1 1 7 ARG NH2 N -10.781 7.545 3.285 1.00 . A A . 7 ARG NH2 1 1 4 980 1 1 7 ARG O O -3.789 4.248 0.586 1.00 . A A . 7 ARG O 1 1 4 981 1 1 8 TRP C C -2.246 1.692 -0.436 1.00 . A A . 8 TRP C 1 1 4 982 1 1 8 TRP CA C -2.294 1.956 1.071 1.00 . A A . 8 TRP CA 1 1 4 983 1 1 8 TRP CB C -1.663 0.832 1.894 1.00 . A A . 8 TRP CB 1 1 4 984 1 1 8 TRP CD1 C -0.384 2.062 3.769 1.00 . A A . 8 TRP CD1 1 1 4 985 1 1 8 TRP CD2 C -2.009 0.760 4.527 1.00 . A A . 8 TRP CD2 1 1 4 986 1 1 8 TRP CE2 C -1.412 1.353 5.620 1.00 . A A . 8 TRP CE2 1 1 4 987 1 1 8 TRP CE3 C -3.086 -0.132 4.675 1.00 . A A . 8 TRP CE3 1 1 4 988 1 1 8 TRP CG C -1.337 1.225 3.337 1.00 . A A . 8 TRP CG 1 1 4 989 1 1 8 TRP CH2 C -2.891 0.234 7.110 1.00 . A A . 8 TRP CH2 1 1 4 990 1 1 8 TRP CZ2 C -1.821 1.120 6.939 1.00 . A A . 8 TRP CZ2 1 1 4 991 1 1 8 TRP CZ3 C -3.483 -0.355 5.998 1.00 . A A . 8 TRP CZ3 1 1 4 992 1 1 8 TRP H H -4.111 1.389 1.919 1.00 . A A . 8 TRP H 1 1 4 993 1 1 8 TRP HA H -1.747 2.868 1.307 1.00 . A A . 8 TRP HA 1 1 4 994 1 1 8 TRP HB2 H -2.341 -0.022 1.906 1.00 . A A . 8 TRP HB2 1 1 4 995 1 1 8 TRP HB3 H -0.747 0.505 1.402 1.00 . A A . 8 TRP HB3 1 1 4 996 1 1 8 TRP HD1 H 0.311 2.591 3.116 1.00 . A A . 8 TRP HD1 1 1 4 997 1 1 8 TRP HE1 H 0.278 2.783 5.747 1.00 . A A . 8 TRP HE1 1 1 4 998 1 1 8 TRP HE3 H -3.575 -0.612 3.827 1.00 . A A . 8 TRP HE3 1 1 4 999 1 1 8 TRP HH2 H -3.260 0.009 8.110 1.00 . A A . 8 TRP HH2 1 1 4 1000 1 1 8 TRP HZ2 H -1.331 1.600 7.785 1.00 . A A . 8 TRP HZ2 1 1 4 1001 1 1 8 TRP HZ3 H -4.314 -1.038 6.169 1.00 . A A . 8 TRP HZ3 1 1 4 1002 1 1 8 TRP N N -3.683 2.159 1.446 1.00 . A A . 8 TRP N 1 1 4 1003 1 1 8 TRP NE1 N -0.392 2.170 5.145 1.00 . A A . 8 TRP NE1 1 1 4 1004 1 1 8 TRP O O -2.873 0.754 -0.926 1.00 . A A . 8 TRP O 1 1 4 1005 1 1 9 LYS C C -0.376 3.463 -3.080 1.00 . A A . 9 LYS C 1 1 4 1006 1 1 9 LYS CA C -1.358 2.407 -2.569 1.00 . A A . 9 LYS CA 1 1 4 1007 1 1 9 LYS CB C -2.727 2.462 -3.246 1.00 . A A . 9 LYS CB 1 1 4 1008 1 1 9 LYS CD C -3.637 2.333 -5.595 1.00 . A A . 9 LYS CD 1 1 4 1009 1 1 9 LYS CE C -4.791 1.404 -5.977 1.00 . A A . 9 LYS CE 1 1 4 1010 1 1 9 LYS CG C -2.723 1.675 -4.559 1.00 . A A . 9 LYS CG 1 1 4 1011 1 1 9 LYS H H -0.989 3.297 -0.722 1.00 . A A . 9 LYS H 1 1 4 1012 1 1 9 LYS HA H -0.939 1.420 -2.770 1.00 . A A . 9 LYS HA 1 1 4 1013 1 1 9 LYS HB2 H -3.486 2.055 -2.577 1.00 . A A . 9 LYS HB2 1 1 4 1014 1 1 9 LYS HB3 H -3.000 3.499 -3.440 1.00 . A A . 9 LYS HB3 1 1 4 1015 1 1 9 LYS HD2 H -4.034 3.267 -5.195 1.00 . A A . 9 LYS HD2 1 1 4 1016 1 1 9 LYS HD3 H -3.060 2.588 -6.484 1.00 . A A . 9 LYS HD3 1 1 4 1017 1 1 9 LYS HE2 H -4.411 0.399 -6.160 1.00 . A A . 9 LYS HE2 1 1 4 1018 1 1 9 LYS HE3 H -5.497 1.332 -5.149 1.00 . A A . 9 LYS HE3 1 1 4 1019 1 1 9 LYS HG2 H -1.708 1.618 -4.948 1.00 . A A . 9 LYS HG2 1 1 4 1020 1 1 9 LYS HG3 H -3.053 0.653 -4.375 1.00 . A A . 9 LYS HG3 1 1 4 1021 1 1 9 LYS HZ1 H -6.472 1.822 -7.062 1.00 . A A . 9 LYS HZ1 1 1 4 1022 1 1 9 LYS HZ2 H -5.246 2.868 -7.328 1.00 . A A . 9 LYS HZ2 1 1 4 1023 1 1 9 LYS HZ3 H -5.198 1.371 -7.980 1.00 . A A . 9 LYS HZ3 1 1 4 1024 1 1 9 LYS N N -1.496 2.537 -1.129 1.00 . A A . 9 LYS N 1 1 4 1025 1 1 9 LYS NZ N -5.483 1.907 -7.185 1.00 . A A . 9 LYS NZ 1 1 4 1026 1 1 9 LYS O O -0.578 4.038 -4.148 1.00 . A A . 9 LYS O 1 1 4 1027 1 1 10 LYS C C 2.973 3.937 -3.025 1.00 . A A . 10 LYS C 1 1 4 1028 1 1 10 LYS CA C 1.680 4.664 -2.653 1.00 . A A . 10 LYS CA 1 1 4 1029 1 1 10 LYS CB C 1.854 5.692 -1.534 1.00 . A A . 10 LYS CB 1 1 4 1030 1 1 10 LYS CD C 4.108 6.758 -1.909 1.00 . A A . 10 LYS CD 1 1 4 1031 1 1 10 LYS CE C 4.848 7.595 -2.954 1.00 . A A . 10 LYS CE 1 1 4 1032 1 1 10 LYS CG C 2.594 6.933 -2.038 1.00 . A A . 10 LYS CG 1 1 4 1033 1 1 10 LYS H H 0.824 3.214 -1.426 1.00 . A A . 10 LYS H 1 1 4 1034 1 1 10 LYS HA H 1.319 5.201 -3.530 1.00 . A A . 10 LYS HA 1 1 4 1035 1 1 10 LYS HB2 H 0.877 5.980 -1.144 1.00 . A A . 10 LYS HB2 1 1 4 1036 1 1 10 LYS HB3 H 2.406 5.246 -0.707 1.00 . A A . 10 LYS HB3 1 1 4 1037 1 1 10 LYS HD2 H 4.427 7.054 -0.909 1.00 . A A . 10 LYS HD2 1 1 4 1038 1 1 10 LYS HD3 H 4.368 5.707 -2.028 1.00 . A A . 10 LYS HD3 1 1 4 1039 1 1 10 LYS HE2 H 4.650 7.200 -3.951 1.00 . A A . 10 LYS HE2 1 1 4 1040 1 1 10 LYS HE3 H 4.477 8.620 -2.938 1.00 . A A . 10 LYS HE3 1 1 4 1041 1 1 10 LYS HG2 H 2.333 7.117 -3.080 1.00 . A A . 10 LYS HG2 1 1 4 1042 1 1 10 LYS HG3 H 2.275 7.807 -1.471 1.00 . A A . 10 LYS HG3 1 1 4 1043 1 1 10 LYS HZ1 H 6.629 8.523 -2.580 1.00 . A A . 10 LYS HZ1 1 1 4 1044 1 1 10 LYS HZ2 H 6.488 7.067 -1.855 1.00 . A A . 10 LYS HZ2 1 1 4 1045 1 1 10 LYS HZ3 H 6.779 7.155 -3.460 1.00 . A A . 10 LYS HZ3 1 1 4 1046 1 1 10 LYS N N 0.667 3.687 -2.293 1.00 . A A . 10 LYS N 1 1 4 1047 1 1 10 LYS NZ N 6.304 7.584 -2.691 1.00 . A A . 10 LYS NZ 1 1 4 1048 1 1 10 LYS O O 3.287 3.785 -4.206 1.00 . A A . 10 LYS O 1 1 4 1049 1 1 11 ALA C C 5.671 2.662 -0.864 1.00 . A A . 11 ALA C 1 1 4 1050 1 1 11 ALA CA C 4.943 2.800 -2.203 1.00 . A A . 11 ALA CA 1 1 4 1051 1 1 11 ALA CB C 5.781 3.538 -3.249 1.00 . A A . 11 ALA CB 1 1 4 1052 1 1 11 ALA H H 3.428 3.634 -1.042 1.00 . A A . 11 ALA H 1 1 4 1053 1 1 11 ALA HA H 4.705 1.806 -2.582 1.00 . A A . 11 ALA HA 1 1 4 1054 1 1 11 ALA HB1 H 5.427 3.278 -4.246 1.00 . A A . 11 ALA HB1 1 1 4 1055 1 1 11 ALA HB2 H 5.686 4.613 -3.098 1.00 . A A . 11 ALA HB2 1 1 4 1056 1 1 11 ALA HB3 H 6.827 3.248 -3.147 1.00 . A A . 11 ALA HB3 1 1 4 1057 1 1 11 ALA N N 3.691 3.507 -1.998 1.00 . A A . 11 ALA N 1 1 4 1058 1 1 11 ALA O O 5.276 1.861 -0.018 1.00 . A A . 11 ALA O 1 1 4 1059 1 1 12 LYS C C 8.134 2.045 0.680 1.00 . A A . 12 LYS C 1 1 4 1060 1 1 12 LYS CA C 7.508 3.431 0.507 1.00 . A A . 12 LYS CA 1 1 4 1061 1 1 12 LYS CB C 6.660 3.876 1.700 1.00 . A A . 12 LYS CB 1 1 4 1062 1 1 12 LYS CD C 6.253 5.711 3.381 1.00 . A A . 12 LYS CD 1 1 4 1063 1 1 12 LYS CE C 7.034 6.455 4.466 1.00 . A A . 12 LYS CE 1 1 4 1064 1 1 12 LYS CG C 7.192 5.180 2.296 1.00 . A A . 12 LYS CG 1 1 4 1065 1 1 12 LYS H H 7.037 4.103 -1.407 1.00 . A A . 12 LYS H 1 1 4 1066 1 1 12 LYS HA H 8.311 4.159 0.393 1.00 . A A . 12 LYS HA 1 1 4 1067 1 1 12 LYS HB2 H 5.626 4.012 1.385 1.00 . A A . 12 LYS HB2 1 1 4 1068 1 1 12 LYS HB3 H 6.661 3.096 2.462 1.00 . A A . 12 LYS HB3 1 1 4 1069 1 1 12 LYS HD2 H 5.518 6.380 2.934 1.00 . A A . 12 LYS HD2 1 1 4 1070 1 1 12 LYS HD3 H 5.702 4.884 3.827 1.00 . A A . 12 LYS HD3 1 1 4 1071 1 1 12 LYS HE2 H 6.528 6.347 5.426 1.00 . A A . 12 LYS HE2 1 1 4 1072 1 1 12 LYS HE3 H 8.024 6.013 4.577 1.00 . A A . 12 LYS HE3 1 1 4 1073 1 1 12 LYS HG2 H 8.184 5.014 2.718 1.00 . A A . 12 LYS HG2 1 1 4 1074 1 1 12 LYS HG3 H 7.304 5.925 1.509 1.00 . A A . 12 LYS HG3 1 1 4 1075 1 1 12 LYS HZ1 H 7.755 7.990 3.326 1.00 . A A . 12 LYS HZ1 1 1 4 1076 1 1 12 LYS HZ2 H 6.256 8.263 3.915 1.00 . A A . 12 LYS HZ2 1 1 4 1077 1 1 12 LYS HZ3 H 7.555 8.383 4.899 1.00 . A A . 12 LYS HZ3 1 1 4 1078 1 1 12 LYS N N 6.721 3.455 -0.713 1.00 . A A . 12 LYS N 1 1 4 1079 1 1 12 LYS NZ N 7.160 7.890 4.124 1.00 . A A . 12 LYS NZ 1 1 4 1080 1 1 12 LYS O O 7.812 1.256 1.569 1.00 . A A . 12 LYS O 1 1 4 1081 1 1 13 DPR C C 9.154 -0.858 -0.344 1.00 . A A . 13 DPR C 1 1 4 1082 1 1 13 DPR CA C 9.924 0.494 -0.120 1.00 . A A . 13 DPR CA 1 1 4 1083 1 1 13 DPR CB C 11.025 0.808 -1.156 1.00 . A A . 13 DPR CB 1 1 4 1084 1 1 13 DPR CD C 9.336 2.501 -1.469 1.00 . A A . 13 DPR CD 1 1 4 1085 1 1 13 DPR CG C 10.326 1.631 -2.242 1.00 . A A . 13 DPR CG 1 1 4 1086 1 1 13 DPR HA H 10.405 0.439 0.877 1.00 . A A . 13 DPR HA 1 1 4 1087 1 1 13 DPR HB2 H 11.511 -0.101 -1.560 1.00 . A A . 13 DPR HB2 1 1 4 1088 1 1 13 DPR HB3 H 11.830 1.406 -0.684 1.00 . A A . 13 DPR HB3 1 1 4 1089 1 1 13 DPR HD2 H 8.407 2.677 -2.047 1.00 . A A . 13 DPR HD2 1 1 4 1090 1 1 13 DPR HD3 H 9.780 3.489 -1.234 1.00 . A A . 13 DPR HD3 1 1 4 1091 1 1 13 DPR HG2 H 11.029 2.223 -2.857 1.00 . A A . 13 DPR HG2 1 1 4 1092 1 1 13 DPR HG3 H 9.780 0.955 -2.931 1.00 . A A . 13 DPR HG3 1 1 4 1093 1 1 13 DPR N N 9.090 1.728 -0.232 1.00 . A A . 13 DPR N 1 1 4 1094 1 1 13 DPR O O 7.990 -0.888 -0.745 1.00 . A A . 13 DPR O 1 1 4 1095 1 1 14 PRO C C 8.054 -3.839 0.340 1.00 . A A . 14 PRO C 1 1 4 1096 1 1 14 PRO CA C 9.309 -3.331 -0.452 1.00 . A A . 14 PRO CA 1 1 4 1097 1 1 14 PRO CB C 10.575 -4.201 -0.290 1.00 . A A . 14 PRO CB 1 1 4 1098 1 1 14 PRO CD C 11.210 -1.984 0.453 1.00 . A A . 14 PRO CD 1 1 4 1099 1 1 14 PRO CG C 11.460 -3.469 0.727 1.00 . A A . 14 PRO CG 1 1 4 1100 1 1 14 PRO HA H 9.020 -3.347 -1.522 1.00 . A A . 14 PRO HA 1 1 4 1101 1 1 14 PRO HB2 H 10.355 -5.244 0.012 1.00 . A A . 14 PRO HB2 1 1 4 1102 1 1 14 PRO HB3 H 11.104 -4.270 -1.262 1.00 . A A . 14 PRO HB3 1 1 4 1103 1 1 14 PRO HD2 H 11.290 -1.366 1.369 1.00 . A A . 14 PRO HD2 1 1 4 1104 1 1 14 PRO HD3 H 11.927 -1.577 -0.287 1.00 . A A . 14 PRO HD3 1 1 4 1105 1 1 14 PRO HG2 H 11.151 -3.722 1.759 1.00 . A A . 14 PRO HG2 1 1 4 1106 1 1 14 PRO HG3 H 12.530 -3.739 0.637 1.00 . A A . 14 PRO HG3 1 1 4 1107 1 1 14 PRO N N 9.846 -1.990 -0.103 1.00 . A A . 14 PRO N 1 1 4 1108 1 1 14 PRO O O 7.862 -5.035 0.526 1.00 . A A . 14 PRO O 1 1 5 1109 1 1 1 THR C C 5.750 -2.999 0.213 1.00 . A A . 1 THR C 1 1 5 1110 1 1 1 THR CA C 6.920 -3.722 -0.459 1.00 . A A . 1 THR CA 1 1 5 1111 1 1 1 THR CB C 7.148 -5.137 0.076 1.00 . A A . 1 THR CB 1 1 5 1112 1 1 1 THR CG2 C 5.918 -5.698 0.792 1.00 . A A . 1 THR CG2 1 1 5 1113 1 1 1 THR H1 H 8.215 -2.132 -0.821 1.00 . A A . 1 THR H1 1 1 5 1114 1 1 1 THR HA H 6.697 -3.768 -1.526 1.00 . A A . 1 THR HA 1 1 5 1115 1 1 1 THR HB H 8.025 -5.172 0.722 1.00 . A A . 1 THR HB 1 1 5 1116 1 1 1 THR HG1 H 6.443 -5.834 -1.662 1.00 . A A . 1 THR HG1 1 1 5 1117 1 1 1 THR HG21 H 5.015 -5.308 0.323 1.00 . A A . 1 THR HG21 1 1 5 1118 1 1 1 THR HG22 H 5.923 -6.785 0.724 1.00 . A A . 1 THR HG22 1 1 5 1119 1 1 1 THR HG23 H 5.941 -5.399 1.841 1.00 . A A . 1 THR HG23 1 1 5 1120 1 1 1 THR N N 8.150 -2.970 -0.280 1.00 . A A . 1 THR N 1 1 5 1121 1 1 1 THR O O 5.745 -2.818 1.429 1.00 . A A . 1 THR O 1 1 5 1122 1 1 1 THR OG1 O 7.261 -5.938 -1.097 1.00 . A A . 1 THR OG1 1 1 5 1123 1 1 2 TRP C C 2.547 -2.954 0.221 1.00 . A A . 2 TRP C 1 1 5 1124 1 1 2 TRP CA C 3.615 -1.910 -0.110 1.00 . A A . 2 TRP CA 1 1 5 1125 1 1 2 TRP CB C 3.134 -0.859 -1.112 1.00 . A A . 2 TRP CB 1 1 5 1126 1 1 2 TRP CD1 C 5.072 -0.844 -2.816 1.00 . A A . 2 TRP CD1 1 1 5 1127 1 1 2 TRP CD2 C 3.101 -1.260 -3.737 1.00 . A A . 2 TRP CD2 1 1 5 1128 1 1 2 TRP CE2 C 4.041 -1.280 -4.747 1.00 . A A . 2 TRP CE2 1 1 5 1129 1 1 2 TRP CE3 C 1.740 -1.492 -3.999 1.00 . A A . 2 TRP CE3 1 1 5 1130 1 1 2 TRP CG C 3.778 -0.976 -2.494 1.00 . A A . 2 TRP CG 1 1 5 1131 1 1 2 TRP CH2 C 2.370 -1.762 -6.372 1.00 . A A . 2 TRP CH2 1 1 5 1132 1 1 2 TRP CZ2 C 3.721 -1.528 -6.088 1.00 . A A . 2 TRP CZ2 1 1 5 1133 1 1 2 TRP CZ3 C 1.435 -1.738 -5.343 1.00 . A A . 2 TRP CZ3 1 1 5 1134 1 1 2 TRP H H 4.799 -2.760 -1.597 1.00 . A A . 2 TRP H 1 1 5 1135 1 1 2 TRP HA H 3.906 -1.375 0.795 1.00 . A A . 2 TRP HA 1 1 5 1136 1 1 2 TRP HB2 H 2.052 -0.941 -1.218 1.00 . A A . 2 TRP HB2 1 1 5 1137 1 1 2 TRP HB3 H 3.341 0.133 -0.710 1.00 . A A . 2 TRP HB3 1 1 5 1138 1 1 2 TRP HD1 H 5.863 -0.624 -2.099 1.00 . A A . 2 TRP HD1 1 1 5 1139 1 1 2 TRP HE1 H 6.235 -0.963 -4.690 1.00 . A A . 2 TRP HE1 1 1 5 1140 1 1 2 TRP HE3 H 0.978 -1.481 -3.219 1.00 . A A . 2 TRP HE3 1 1 5 1141 1 1 2 TRP HH2 H 2.053 -1.961 -7.395 1.00 . A A . 2 TRP HH2 1 1 5 1142 1 1 2 TRP HZ2 H 4.482 -1.539 -6.867 1.00 . A A . 2 TRP HZ2 1 1 5 1143 1 1 2 TRP HZ3 H 0.394 -1.924 -5.602 1.00 . A A . 2 TRP HZ3 1 1 5 1144 1 1 2 TRP N N 4.787 -2.608 -0.608 1.00 . A A . 2 TRP N 1 1 5 1145 1 1 2 TRP NE1 N 5.278 -1.019 -4.170 1.00 . A A . 2 TRP NE1 1 1 5 1146 1 1 2 TRP O O 2.710 -4.133 -0.091 1.00 . A A . 2 TRP O 1 1 5 1147 1 1 3 LEU C C -0.788 -3.149 0.262 1.00 . A A . 3 LEU C 1 1 5 1148 1 1 3 LEU CA C 0.384 -3.362 1.222 1.00 . A A . 3 LEU CA 1 1 5 1149 1 1 3 LEU CB C 0.018 -3.163 2.694 1.00 . A A . 3 LEU CB 1 1 5 1150 1 1 3 LEU CD1 C 0.522 -5.272 3.981 1.00 . A A . 3 LEU CD1 1 1 5 1151 1 1 3 LEU CD2 C -1.583 -3.948 4.477 1.00 . A A . 3 LEU CD2 1 1 5 1152 1 1 3 LEU CG C -0.579 -4.378 3.407 1.00 . A A . 3 LEU CG 1 1 5 1153 1 1 3 LEU H H 1.354 -1.524 1.096 1.00 . A A . 3 LEU H 1 1 5 1154 1 1 3 LEU HA H 0.737 -4.388 1.114 1.00 . A A . 3 LEU HA 1 1 5 1155 1 1 3 LEU HB2 H 0.914 -2.855 3.233 1.00 . A A . 3 LEU HB2 1 1 5 1156 1 1 3 LEU HB3 H -0.695 -2.341 2.762 1.00 . A A . 3 LEU HB3 1 1 5 1157 1 1 3 LEU HD11 H 0.214 -6.316 3.915 1.00 . A A . 3 LEU HD11 1 1 5 1158 1 1 3 LEU HD12 H 1.442 -5.128 3.413 1.00 . A A . 3 LEU HD12 1 1 5 1159 1 1 3 LEU HD13 H 0.696 -5.010 5.025 1.00 . A A . 3 LEU HD13 1 1 5 1160 1 1 3 LEU HD21 H -1.148 -4.097 5.465 1.00 . A A . 3 LEU HD21 1 1 5 1161 1 1 3 LEU HD22 H -1.827 -2.894 4.343 1.00 . A A . 3 LEU HD22 1 1 5 1162 1 1 3 LEU HD23 H -2.491 -4.545 4.386 1.00 . A A . 3 LEU HD23 1 1 5 1163 1 1 3 LEU HG H -1.125 -4.971 2.673 1.00 . A A . 3 LEU HG 1 1 5 1164 1 1 3 LEU N N 1.478 -2.484 0.847 1.00 . A A . 3 LEU N 1 1 5 1165 1 1 3 LEU O O -1.262 -4.096 -0.366 1.00 . A A . 3 LEU O 1 1 5 1166 1 1 4 LYS C C -3.509 -2.486 -0.415 1.00 . A A . 4 LYS C 1 1 5 1167 1 1 4 LYS CA C -2.331 -1.551 -0.694 1.00 . A A . 4 LYS CA 1 1 5 1168 1 1 4 LYS CB C -1.881 -1.548 -2.157 1.00 . A A . 4 LYS CB 1 1 5 1169 1 1 4 LYS CD C -2.731 -1.665 -4.528 1.00 . A A . 4 LYS CD 1 1 5 1170 1 1 4 LYS CE C -3.913 -1.386 -5.459 1.00 . A A . 4 LYS CE 1 1 5 1171 1 1 4 LYS CG C -3.055 -1.250 -3.091 1.00 . A A . 4 LYS CG 1 1 5 1172 1 1 4 LYS H H -0.833 -1.137 0.692 1.00 . A A . 4 LYS H 1 1 5 1173 1 1 4 LYS HA H -2.632 -0.533 -0.448 1.00 . A A . 4 LYS HA 1 1 5 1174 1 1 4 LYS HB2 H -1.099 -0.802 -2.299 1.00 . A A . 4 LYS HB2 1 1 5 1175 1 1 4 LYS HB3 H -1.446 -2.516 -2.410 1.00 . A A . 4 LYS HB3 1 1 5 1176 1 1 4 LYS HD2 H -1.852 -1.123 -4.877 1.00 . A A . 4 LYS HD2 1 1 5 1177 1 1 4 LYS HD3 H -2.484 -2.727 -4.557 1.00 . A A . 4 LYS HD3 1 1 5 1178 1 1 4 LYS HE2 H -4.129 -2.271 -6.057 1.00 . A A . 4 LYS HE2 1 1 5 1179 1 1 4 LYS HE3 H -4.805 -1.174 -4.870 1.00 . A A . 4 LYS HE3 1 1 5 1180 1 1 4 LYS HG2 H -3.942 -1.781 -2.747 1.00 . A A . 4 LYS HG2 1 1 5 1181 1 1 4 LYS HG3 H -3.288 -0.186 -3.060 1.00 . A A . 4 LYS HG3 1 1 5 1182 1 1 4 LYS HZ1 H -3.829 -0.487 -7.292 1.00 . A A . 4 LYS HZ1 1 1 5 1183 1 1 4 LYS HZ2 H -4.165 0.547 -6.073 1.00 . A A . 4 LYS HZ2 1 1 5 1184 1 1 4 LYS HZ3 H -2.643 -0.009 -6.276 1.00 . A A . 4 LYS HZ3 1 1 5 1185 1 1 4 LYS N N -1.223 -1.901 0.178 1.00 . A A . 4 LYS N 1 1 5 1186 1 1 4 LYS NZ N -3.613 -0.241 -6.347 1.00 . A A . 4 LYS NZ 1 1 5 1187 1 1 4 LYS O O -3.759 -3.420 -1.177 1.00 . A A . 4 LYS O 1 1 5 1188 1 1 5 LYS C C -6.618 -2.400 0.467 1.00 . A A . 5 LYS C 1 1 5 1189 1 1 5 LYS CA C -5.348 -3.007 1.066 1.00 . A A . 5 LYS CA 1 1 5 1190 1 1 5 LYS CB C -5.399 -3.165 2.587 1.00 . A A . 5 LYS CB 1 1 5 1191 1 1 5 LYS CD C -5.666 -4.790 4.499 1.00 . A A . 5 LYS CD 1 1 5 1192 1 1 5 LYS CE C -6.226 -6.165 4.866 1.00 . A A . 5 LYS CE 1 1 5 1193 1 1 5 LYS CG C -5.539 -4.637 2.981 1.00 . A A . 5 LYS CG 1 1 5 1194 1 1 5 LYS H H -3.992 -1.442 1.291 1.00 . A A . 5 LYS H 1 1 5 1195 1 1 5 LYS HA H -5.208 -4.002 0.644 1.00 . A A . 5 LYS HA 1 1 5 1196 1 1 5 LYS HB2 H -4.495 -2.751 3.031 1.00 . A A . 5 LYS HB2 1 1 5 1197 1 1 5 LYS HB3 H -6.240 -2.597 2.987 1.00 . A A . 5 LYS HB3 1 1 5 1198 1 1 5 LYS HD2 H -4.689 -4.654 4.963 1.00 . A A . 5 LYS HD2 1 1 5 1199 1 1 5 LYS HD3 H -6.318 -4.009 4.893 1.00 . A A . 5 LYS HD3 1 1 5 1200 1 1 5 LYS HE2 H -7.200 -6.304 4.398 1.00 . A A . 5 LYS HE2 1 1 5 1201 1 1 5 LYS HE3 H -5.572 -6.946 4.480 1.00 . A A . 5 LYS HE3 1 1 5 1202 1 1 5 LYS HG2 H -6.415 -5.066 2.495 1.00 . A A . 5 LYS HG2 1 1 5 1203 1 1 5 LYS HG3 H -4.673 -5.195 2.627 1.00 . A A . 5 LYS HG3 1 1 5 1204 1 1 5 LYS HZ1 H -6.140 -7.237 6.605 1.00 . A A . 5 LYS HZ1 1 1 5 1205 1 1 5 LYS HZ2 H -5.714 -5.670 6.782 1.00 . A A . 5 LYS HZ2 1 1 5 1206 1 1 5 LYS HZ3 H -7.287 -6.074 6.611 1.00 . A A . 5 LYS HZ3 1 1 5 1207 1 1 5 LYS N N -4.202 -2.202 0.677 1.00 . A A . 5 LYS N 1 1 5 1208 1 1 5 LYS NZ N -6.352 -6.296 6.335 1.00 . A A . 5 LYS NZ 1 1 5 1209 1 1 5 LYS O O -7.282 -3.028 -0.357 1.00 . A A . 5 LYS O 1 1 5 1210 1 1 6 ARG C C -7.825 1.016 0.335 1.00 . A A . 6 ARG C 1 1 5 1211 1 1 6 ARG CA C -8.098 -0.487 0.422 1.00 . A A . 6 ARG CA 1 1 5 1212 1 1 6 ARG CB C -9.296 -0.729 1.341 1.00 . A A . 6 ARG CB 1 1 5 1213 1 1 6 ARG CD C -11.735 -1.369 1.415 1.00 . A A . 6 ARG CD 1 1 5 1214 1 1 6 ARG CG C -10.587 -0.872 0.533 1.00 . A A . 6 ARG CG 1 1 5 1215 1 1 6 ARG CZ C -13.445 -3.173 1.254 1.00 . A A . 6 ARG CZ 1 1 5 1216 1 1 6 ARG H H -6.373 -0.682 1.575 1.00 . A A . 6 ARG H 1 1 5 1217 1 1 6 ARG HA H -8.288 -0.909 -0.565 1.00 . A A . 6 ARG HA 1 1 5 1218 1 1 6 ARG HB2 H -9.131 -1.631 1.930 1.00 . A A . 6 ARG HB2 1 1 5 1219 1 1 6 ARG HB3 H -9.393 0.098 2.044 1.00 . A A . 6 ARG HB3 1 1 5 1220 1 1 6 ARG HD2 H -11.336 -1.811 2.328 1.00 . A A . 6 ARG HD2 1 1 5 1221 1 1 6 ARG HD3 H -12.363 -0.530 1.715 1.00 . A A . 6 ARG HD3 1 1 5 1222 1 1 6 ARG HE H -12.406 -2.446 -0.308 1.00 . A A . 6 ARG HE 1 1 5 1223 1 1 6 ARG HG2 H -10.853 0.089 0.092 1.00 . A A . 6 ARG HG2 1 1 5 1224 1 1 6 ARG HG3 H -10.430 -1.567 -0.291 1.00 . A A . 6 ARG HG3 1 1 5 1225 1 1 6 ARG HH11 H -13.148 -2.449 3.132 1.00 . A A . 6 ARG HH11 1 1 5 1226 1 1 6 ARG HH12 H -14.335 -3.705 3.004 1.00 . A A . 6 ARG HH12 1 1 5 1227 1 1 6 ARG HH21 H -13.971 -4.102 -0.477 1.00 . A A . 6 ARG HH21 1 1 5 1228 1 1 6 ARG HH22 H -14.806 -4.651 0.938 1.00 . A A . 6 ARG HH22 1 1 5 1229 1 1 6 ARG N N -6.919 -1.185 0.905 1.00 . A A . 6 ARG N 1 1 5 1230 1 1 6 ARG NE N -12.542 -2.367 0.679 1.00 . A A . 6 ARG NE 1 1 5 1231 1 1 6 ARG NH1 N -13.661 -3.104 2.575 1.00 . A A . 6 ARG NH1 1 1 5 1232 1 1 6 ARG NH2 N -14.132 -4.050 0.508 1.00 . A A . 6 ARG NH2 1 1 5 1233 1 1 6 ARG O O -7.980 1.736 1.321 1.00 . A A . 6 ARG O 1 1 5 1234 1 1 7 ARG C C -5.697 3.168 -0.650 1.00 . A A . 7 ARG C 1 1 5 1235 1 1 7 ARG CA C -7.130 2.849 -1.080 1.00 . A A . 7 ARG CA 1 1 5 1236 1 1 7 ARG CB C -8.098 3.748 -0.309 1.00 . A A . 7 ARG CB 1 1 5 1237 1 1 7 ARG CD C -9.216 6.009 -0.330 1.00 . A A . 7 ARG CD 1 1 5 1238 1 1 7 ARG CG C -8.589 4.904 -1.183 1.00 . A A . 7 ARG CG 1 1 5 1239 1 1 7 ARG CZ C -11.418 7.173 -0.273 1.00 . A A . 7 ARG CZ 1 1 5 1240 1 1 7 ARG H H -7.302 0.852 -1.649 1.00 . A A . 7 ARG H 1 1 5 1241 1 1 7 ARG HA H -7.258 2.990 -2.154 1.00 . A A . 7 ARG HA 1 1 5 1242 1 1 7 ARG HB2 H -8.949 3.161 0.035 1.00 . A A . 7 ARG HB2 1 1 5 1243 1 1 7 ARG HB3 H -7.604 4.143 0.580 1.00 . A A . 7 ARG HB3 1 1 5 1244 1 1 7 ARG HD2 H -9.085 5.781 0.728 1.00 . A A . 7 ARG HD2 1 1 5 1245 1 1 7 ARG HD3 H -8.710 6.956 -0.518 1.00 . A A . 7 ARG HD3 1 1 5 1246 1 1 7 ARG HE H -11.088 5.400 -1.168 1.00 . A A . 7 ARG HE 1 1 5 1247 1 1 7 ARG HG2 H -7.755 5.310 -1.756 1.00 . A A . 7 ARG HG2 1 1 5 1248 1 1 7 ARG HG3 H -9.320 4.536 -1.902 1.00 . A A . 7 ARG HG3 1 1 5 1249 1 1 7 ARG HH11 H -9.913 8.158 0.675 1.00 . A A . 7 ARG HH11 1 1 5 1250 1 1 7 ARG HH12 H -11.450 8.955 0.705 1.00 . A A . 7 ARG HH12 1 1 5 1251 1 1 7 ARG HH21 H -13.116 6.451 -1.128 1.00 . A A . 7 ARG HH21 1 1 5 1252 1 1 7 ARG HH22 H -13.285 7.978 -0.327 1.00 . A A . 7 ARG HH22 1 1 5 1253 1 1 7 ARG N N -7.425 1.445 -0.853 1.00 . A A . 7 ARG N 1 1 5 1254 1 1 7 ARG NE N -10.656 6.135 -0.645 1.00 . A A . 7 ARG NE 1 1 5 1255 1 1 7 ARG NH1 N -10.881 8.181 0.429 1.00 . A A . 7 ARG NH1 1 1 5 1256 1 1 7 ARG NH2 N -12.716 7.203 -0.604 1.00 . A A . 7 ARG NH2 1 1 5 1257 1 1 7 ARG O O -5.139 4.191 -1.043 1.00 . A A . 7 ARG O 1 1 5 1258 1 1 8 TRP C C -2.828 2.245 -0.539 1.00 . A A . 8 TRP C 1 1 5 1259 1 1 8 TRP CA C -3.783 2.443 0.640 1.00 . A A . 8 TRP CA 1 1 5 1260 1 1 8 TRP CB C -3.496 1.497 1.807 1.00 . A A . 8 TRP CB 1 1 5 1261 1 1 8 TRP CD1 C -3.468 3.257 3.694 1.00 . A A . 8 TRP CD1 1 1 5 1262 1 1 8 TRP CD2 C -4.651 1.454 4.199 1.00 . A A . 8 TRP CD2 1 1 5 1263 1 1 8 TRP CE2 C -4.717 2.306 5.281 1.00 . A A . 8 TRP CE2 1 1 5 1264 1 1 8 TRP CE3 C -5.306 0.210 4.205 1.00 . A A . 8 TRP CE3 1 1 5 1265 1 1 8 TRP CG C -3.842 2.077 3.179 1.00 . A A . 8 TRP CG 1 1 5 1266 1 1 8 TRP CH2 C -6.087 0.773 6.479 1.00 . A A . 8 TRP CH2 1 1 5 1267 1 1 8 TRP CZ2 C -5.427 2.007 6.450 1.00 . A A . 8 TRP CZ2 1 1 5 1268 1 1 8 TRP CZ3 C -6.010 -0.075 5.381 1.00 . A A . 8 TRP CZ3 1 1 5 1269 1 1 8 TRP H H -5.601 1.441 0.467 1.00 . A A . 8 TRP H 1 1 5 1270 1 1 8 TRP HA H -3.694 3.459 1.026 1.00 . A A . 8 TRP HA 1 1 5 1271 1 1 8 TRP HB2 H -4.061 0.575 1.662 1.00 . A A . 8 TRP HB2 1 1 5 1272 1 1 8 TRP HB3 H -2.439 1.229 1.793 1.00 . A A . 8 TRP HB3 1 1 5 1273 1 1 8 TRP HD1 H -2.841 3.983 3.174 1.00 . A A . 8 TRP HD1 1 1 5 1274 1 1 8 TRP HE1 H -3.822 4.308 5.603 1.00 . A A . 8 TRP HE1 1 1 5 1275 1 1 8 TRP HE3 H -5.268 -0.483 3.363 1.00 . A A . 8 TRP HE3 1 1 5 1276 1 1 8 TRP HH2 H -6.659 0.478 7.360 1.00 . A A . 8 TRP HH2 1 1 5 1277 1 1 8 TRP HZ2 H -5.464 2.699 7.292 1.00 . A A . 8 TRP HZ2 1 1 5 1278 1 1 8 TRP HZ3 H -6.537 -1.027 5.439 1.00 . A A . 8 TRP HZ3 1 1 5 1279 1 1 8 TRP N N -5.140 2.271 0.152 1.00 . A A . 8 TRP N 1 1 5 1280 1 1 8 TRP NE1 N -3.975 3.438 4.965 1.00 . A A . 8 TRP NE1 1 1 5 1281 1 1 8 TRP O O -3.131 1.500 -1.469 1.00 . A A . 8 TRP O 1 1 5 1282 1 1 9 LYS C C 0.577 3.561 -1.061 1.00 . A A . 9 LYS C 1 1 5 1283 1 1 9 LYS CA C -0.693 2.836 -1.510 1.00 . A A . 9 LYS CA 1 1 5 1284 1 1 9 LYS CB C -1.258 3.350 -2.836 1.00 . A A . 9 LYS CB 1 1 5 1285 1 1 9 LYS CD C 0.595 3.695 -4.511 1.00 . A A . 9 LYS CD 1 1 5 1286 1 1 9 LYS CE C 0.392 4.058 -5.983 1.00 . A A . 9 LYS CE 1 1 5 1287 1 1 9 LYS CG C -0.503 2.748 -4.023 1.00 . A A . 9 LYS CG 1 1 5 1288 1 1 9 LYS H H -1.456 3.531 0.299 1.00 . A A . 9 LYS H 1 1 5 1289 1 1 9 LYS HA H -0.458 1.780 -1.647 1.00 . A A . 9 LYS HA 1 1 5 1290 1 1 9 LYS HB2 H -2.316 3.097 -2.908 1.00 . A A . 9 LYS HB2 1 1 5 1291 1 1 9 LYS HB3 H -1.187 4.437 -2.868 1.00 . A A . 9 LYS HB3 1 1 5 1292 1 1 9 LYS HD2 H 0.595 4.601 -3.905 1.00 . A A . 9 LYS HD2 1 1 5 1293 1 1 9 LYS HD3 H 1.570 3.224 -4.381 1.00 . A A . 9 LYS HD3 1 1 5 1294 1 1 9 LYS HE2 H 0.159 3.162 -6.557 1.00 . A A . 9 LYS HE2 1 1 5 1295 1 1 9 LYS HE3 H -0.461 4.731 -6.083 1.00 . A A . 9 LYS HE3 1 1 5 1296 1 1 9 LYS HG2 H -0.063 1.794 -3.734 1.00 . A A . 9 LYS HG2 1 1 5 1297 1 1 9 LYS HG3 H -1.200 2.544 -4.836 1.00 . A A . 9 LYS HG3 1 1 5 1298 1 1 9 LYS HZ1 H 1.678 4.504 -7.508 1.00 . A A . 9 LYS HZ1 1 1 5 1299 1 1 9 LYS HZ2 H 1.547 5.693 -6.395 1.00 . A A . 9 LYS HZ2 1 1 5 1300 1 1 9 LYS HZ3 H 2.413 4.349 -6.058 1.00 . A A . 9 LYS HZ3 1 1 5 1301 1 1 9 LYS N N -1.695 2.927 -0.461 1.00 . A A . 9 LYS N 1 1 5 1302 1 1 9 LYS NZ N 1.606 4.704 -6.531 1.00 . A A . 9 LYS NZ 1 1 5 1303 1 1 9 LYS O O 1.012 4.514 -1.704 1.00 . A A . 9 LYS O 1 1 5 1304 1 1 10 LYS C C 3.547 2.797 0.207 1.00 . A A . 10 LYS C 1 1 5 1305 1 1 10 LYS CA C 2.349 3.670 0.583 1.00 . A A . 10 LYS CA 1 1 5 1306 1 1 10 LYS CB C 2.205 3.902 2.087 1.00 . A A . 10 LYS CB 1 1 5 1307 1 1 10 LYS CD C 3.888 4.846 3.711 1.00 . A A . 10 LYS CD 1 1 5 1308 1 1 10 LYS CE C 3.154 5.043 5.038 1.00 . A A . 10 LYS CE 1 1 5 1309 1 1 10 LYS CG C 2.971 5.152 2.525 1.00 . A A . 10 LYS CG 1 1 5 1310 1 1 10 LYS H H 0.777 2.304 0.557 1.00 . A A . 10 LYS H 1 1 5 1311 1 1 10 LYS HA H 2.473 4.647 0.116 1.00 . A A . 10 LYS HA 1 1 5 1312 1 1 10 LYS HB2 H 1.150 4.009 2.343 1.00 . A A . 10 LYS HB2 1 1 5 1313 1 1 10 LYS HB3 H 2.577 3.033 2.631 1.00 . A A . 10 LYS HB3 1 1 5 1314 1 1 10 LYS HD2 H 4.249 3.819 3.640 1.00 . A A . 10 LYS HD2 1 1 5 1315 1 1 10 LYS HD3 H 4.764 5.493 3.675 1.00 . A A . 10 LYS HD3 1 1 5 1316 1 1 10 LYS HE2 H 2.799 6.071 5.114 1.00 . A A . 10 LYS HE2 1 1 5 1317 1 1 10 LYS HE3 H 2.274 4.398 5.073 1.00 . A A . 10 LYS HE3 1 1 5 1318 1 1 10 LYS HG2 H 3.562 5.531 1.692 1.00 . A A . 10 LYS HG2 1 1 5 1319 1 1 10 LYS HG3 H 2.266 5.937 2.800 1.00 . A A . 10 LYS HG3 1 1 5 1320 1 1 10 LYS HZ1 H 4.955 4.497 5.832 1.00 . A A . 10 LYS HZ1 1 1 5 1321 1 1 10 LYS HZ2 H 4.116 5.534 6.773 1.00 . A A . 10 LYS HZ2 1 1 5 1322 1 1 10 LYS HZ3 H 3.675 3.964 6.694 1.00 . A A . 10 LYS HZ3 1 1 5 1323 1 1 10 LYS N N 1.137 3.080 0.040 1.00 . A A . 10 LYS N 1 1 5 1324 1 1 10 LYS NZ N 4.048 4.735 6.176 1.00 . A A . 10 LYS NZ 1 1 5 1325 1 1 10 LYS O O 4.034 2.017 1.026 1.00 . A A . 10 LYS O 1 1 5 1326 1 1 11 ALA C C 6.276 2.291 -0.522 1.00 . A A . 11 ALA C 1 1 5 1327 1 1 11 ALA CA C 5.124 2.193 -1.525 1.00 . A A . 11 ALA CA 1 1 5 1328 1 1 11 ALA CB C 5.516 2.699 -2.914 1.00 . A A . 11 ALA CB 1 1 5 1329 1 1 11 ALA H H 3.590 3.593 -1.691 1.00 . A A . 11 ALA H 1 1 5 1330 1 1 11 ALA HA H 4.813 1.151 -1.605 1.00 . A A . 11 ALA HA 1 1 5 1331 1 1 11 ALA HB1 H 4.860 3.522 -3.200 1.00 . A A . 11 ALA HB1 1 1 5 1332 1 1 11 ALA HB2 H 6.548 3.048 -2.897 1.00 . A A . 11 ALA HB2 1 1 5 1333 1 1 11 ALA HB3 H 5.418 1.890 -3.637 1.00 . A A . 11 ALA HB3 1 1 5 1334 1 1 11 ALA N N 3.992 2.957 -1.031 1.00 . A A . 11 ALA N 1 1 5 1335 1 1 11 ALA O O 6.478 1.389 0.289 1.00 . A A . 11 ALA O 1 1 5 1336 1 1 12 LYS C C 9.017 2.380 0.300 1.00 . A A . 12 LYS C 1 1 5 1337 1 1 12 LYS CA C 8.128 3.626 0.278 1.00 . A A . 12 LYS CA 1 1 5 1338 1 1 12 LYS CB C 7.639 4.056 1.663 1.00 . A A . 12 LYS CB 1 1 5 1339 1 1 12 LYS CD C 8.252 5.572 3.582 1.00 . A A . 12 LYS CD 1 1 5 1340 1 1 12 LYS CE C 8.812 6.940 3.978 1.00 . A A . 12 LYS CE 1 1 5 1341 1 1 12 LYS CG C 8.237 5.406 2.061 1.00 . A A . 12 LYS CG 1 1 5 1342 1 1 12 LYS H H 6.831 4.127 -1.273 1.00 . A A . 12 LYS H 1 1 5 1343 1 1 12 LYS HA H 8.704 4.455 -0.131 1.00 . A A . 12 LYS HA 1 1 5 1344 1 1 12 LYS HB2 H 6.551 4.120 1.665 1.00 . A A . 12 LYS HB2 1 1 5 1345 1 1 12 LYS HB3 H 7.913 3.300 2.400 1.00 . A A . 12 LYS HB3 1 1 5 1346 1 1 12 LYS HD2 H 7.241 5.462 3.973 1.00 . A A . 12 LYS HD2 1 1 5 1347 1 1 12 LYS HD3 H 8.857 4.784 4.031 1.00 . A A . 12 LYS HD3 1 1 5 1348 1 1 12 LYS HE2 H 9.902 6.902 3.998 1.00 . A A . 12 LYS HE2 1 1 5 1349 1 1 12 LYS HE3 H 8.533 7.684 3.232 1.00 . A A . 12 LYS HE3 1 1 5 1350 1 1 12 LYS HG2 H 9.252 5.488 1.672 1.00 . A A . 12 LYS HG2 1 1 5 1351 1 1 12 LYS HG3 H 7.657 6.211 1.610 1.00 . A A . 12 LYS HG3 1 1 5 1352 1 1 12 LYS HZ1 H 7.449 6.855 5.499 1.00 . A A . 12 LYS HZ1 1 1 5 1353 1 1 12 LYS HZ2 H 8.978 7.122 6.007 1.00 . A A . 12 LYS HZ2 1 1 5 1354 1 1 12 LYS HZ3 H 8.126 8.330 5.310 1.00 . A A . 12 LYS HZ3 1 1 5 1355 1 1 12 LYS N N 7.002 3.396 -0.611 1.00 . A A . 12 LYS N 1 1 5 1356 1 1 12 LYS NZ N 8.299 7.345 5.306 1.00 . A A . 12 LYS NZ 1 1 5 1357 1 1 12 LYS O O 8.861 1.442 1.080 1.00 . A A . 12 LYS O 1 1 5 1358 1 1 13 DPR C C 10.617 -0.094 -1.131 1.00 . A A . 13 DPR C 1 1 5 1359 1 1 13 DPR CA C 11.081 1.324 -0.637 1.00 . A A . 13 DPR CA 1 1 5 1360 1 1 13 DPR CB C 12.141 2.018 -1.521 1.00 . A A . 13 DPR CB 1 1 5 1361 1 1 13 DPR CD C 10.156 3.377 -1.698 1.00 . A A . 13 DPR CD 1 1 5 1362 1 1 13 DPR CG C 11.338 2.860 -2.518 1.00 . A A . 13 DPR CG 1 1 5 1363 1 1 13 DPR HA H 11.517 1.197 0.374 1.00 . A A . 13 DPR HA 1 1 5 1364 1 1 13 DPR HB2 H 12.821 1.303 -2.022 1.00 . A A . 13 DPR HB2 1 1 5 1365 1 1 13 DPR HB3 H 12.782 2.673 -0.900 1.00 . A A . 13 DPR HB3 1 1 5 1366 1 1 13 DPR HD2 H 9.238 3.462 -2.315 1.00 . A A . 13 DPR HD2 1 1 5 1367 1 1 13 DPR HD3 H 10.376 4.378 -1.278 1.00 . A A . 13 DPR HD3 1 1 5 1368 1 1 13 DPR HG2 H 11.932 3.672 -2.974 1.00 . A A . 13 DPR HG2 1 1 5 1369 1 1 13 DPR HG3 H 10.975 2.217 -3.345 1.00 . A A . 13 DPR HG3 1 1 5 1370 1 1 13 DPR N N 10.017 2.373 -0.621 1.00 . A A . 13 DPR N 1 1 5 1371 1 1 13 DPR O O 10.189 -0.281 -2.271 1.00 . A A . 13 DPR O 1 1 5 1372 1 1 14 PRO C C 9.112 -2.904 -1.223 1.00 . A A . 14 PRO C 1 1 5 1373 1 1 14 PRO CA C 10.516 -2.523 -0.640 1.00 . A A . 14 PRO CA 1 1 5 1374 1 1 14 PRO CB C 10.893 -3.248 0.671 1.00 . A A . 14 PRO CB 1 1 5 1375 1 1 14 PRO CD C 10.988 -0.882 1.185 1.00 . A A . 14 PRO CD 1 1 5 1376 1 1 14 PRO CG C 10.635 -2.238 1.798 1.00 . A A . 14 PRO CG 1 1 5 1377 1 1 14 PRO HA H 11.256 -2.813 -1.413 1.00 . A A . 14 PRO HA 1 1 5 1378 1 1 14 PRO HB2 H 10.346 -4.199 0.820 1.00 . A A . 14 PRO HB2 1 1 5 1379 1 1 14 PRO HB3 H 11.968 -3.514 0.651 1.00 . A A . 14 PRO HB3 1 1 5 1380 1 1 14 PRO HD2 H 10.373 -0.058 1.598 1.00 . A A . 14 PRO HD2 1 1 5 1381 1 1 14 PRO HD3 H 12.051 -0.621 1.355 1.00 . A A . 14 PRO HD3 1 1 5 1382 1 1 14 PRO HG2 H 9.567 -2.257 2.091 1.00 . A A . 14 PRO HG2 1 1 5 1383 1 1 14 PRO HG3 H 11.222 -2.455 2.711 1.00 . A A . 14 PRO HG3 1 1 5 1384 1 1 14 PRO N N 10.738 -1.105 -0.249 1.00 . A A . 14 PRO N 1 1 5 1385 1 1 14 PRO O O 9.002 -3.410 -2.334 1.00 . A A . 14 PRO O 1 1 6 1386 1 1 1 THR C C 6.014 -2.428 0.545 1.00 . A A . 1 THR C 1 1 6 1387 1 1 1 THR CA C 6.930 -3.476 -0.091 1.00 . A A . 1 THR CA 1 1 6 1388 1 1 1 THR CB C 6.666 -4.897 0.410 1.00 . A A . 1 THR CB 1 1 6 1389 1 1 1 THR CG2 C 5.279 -5.049 1.038 1.00 . A A . 1 THR CG2 1 1 6 1390 1 1 1 THR H1 H 8.693 -2.402 -0.369 1.00 . A A . 1 THR H1 1 1 6 1391 1 1 1 THR HA H 6.765 -3.433 -1.168 1.00 . A A . 1 THR HA 1 1 6 1392 1 1 1 THR HB H 7.446 -5.215 1.103 1.00 . A A . 1 THR HB 1 1 6 1393 1 1 1 THR HG1 H 6.932 -6.603 -0.604 1.00 . A A . 1 THR HG1 1 1 6 1394 1 1 1 THR HG21 H 5.113 -6.094 1.301 1.00 . A A . 1 THR HG21 1 1 6 1395 1 1 1 THR HG22 H 5.219 -4.435 1.937 1.00 . A A . 1 THR HG22 1 1 6 1396 1 1 1 THR HG23 H 4.520 -4.728 0.325 1.00 . A A . 1 THR HG23 1 1 6 1397 1 1 1 THR N N 8.322 -3.157 0.172 1.00 . A A . 1 THR N 1 1 6 1398 1 1 1 THR O O 6.119 -2.149 1.738 1.00 . A A . 1 THR O 1 1 6 1399 1 1 1 THR OG1 O 6.596 -5.678 -0.781 1.00 . A A . 1 THR OG1 1 1 6 1400 1 1 2 TRP C C 2.951 -1.580 0.700 1.00 . A A . 2 TRP C 1 1 6 1401 1 1 2 TRP CA C 4.202 -0.866 0.187 1.00 . A A . 2 TRP CA 1 1 6 1402 1 1 2 TRP CB C 3.900 0.152 -0.915 1.00 . A A . 2 TRP CB 1 1 6 1403 1 1 2 TRP CD1 C 5.675 -0.426 -2.698 1.00 . A A . 2 TRP CD1 1 1 6 1404 1 1 2 TRP CD2 C 3.598 -0.552 -3.458 1.00 . A A . 2 TRP CD2 1 1 6 1405 1 1 2 TRP CE2 C 4.440 -0.882 -4.501 1.00 . A A . 2 TRP CE2 1 1 6 1406 1 1 2 TRP CE3 C 2.202 -0.538 -3.621 1.00 . A A . 2 TRP CE3 1 1 6 1407 1 1 2 TRP CG C 4.406 -0.259 -2.300 1.00 . A A . 2 TRP CG 1 1 6 1408 1 1 2 TRP CH2 C 2.593 -1.215 -5.964 1.00 . A A . 2 TRP CH2 1 1 6 1409 1 1 2 TRP CZ2 C 3.980 -1.222 -5.779 1.00 . A A . 2 TRP CZ2 1 1 6 1410 1 1 2 TRP CZ3 C 1.758 -0.881 -4.903 1.00 . A A . 2 TRP CZ3 1 1 6 1411 1 1 2 TRP H H 5.058 -2.109 -1.250 1.00 . A A . 2 TRP H 1 1 6 1412 1 1 2 TRP HA H 4.682 -0.321 1.000 1.00 . A A . 2 TRP HA 1 1 6 1413 1 1 2 TRP HB2 H 2.822 0.309 -0.965 1.00 . A A . 2 TRP HB2 1 1 6 1414 1 1 2 TRP HB3 H 4.349 1.108 -0.645 1.00 . A A . 2 TRP HB3 1 1 6 1415 1 1 2 TRP HD1 H 6.544 -0.282 -2.056 1.00 . A A . 2 TRP HD1 1 1 6 1416 1 1 2 TRP HE1 H 6.652 -1.002 -4.592 1.00 . A A . 2 TRP HE1 1 1 6 1417 1 1 2 TRP HE3 H 1.515 -0.281 -2.814 1.00 . A A . 2 TRP HE3 1 1 6 1418 1 1 2 TRP HH2 H 2.168 -1.471 -6.935 1.00 . A A . 2 TRP HH2 1 1 6 1419 1 1 2 TRP HZ2 H 4.667 -1.480 -6.586 1.00 . A A . 2 TRP HZ2 1 1 6 1420 1 1 2 TRP HZ3 H 0.684 -0.886 -5.084 1.00 . A A . 2 TRP HZ3 1 1 6 1421 1 1 2 TRP N N 5.136 -1.876 -0.281 1.00 . A A . 2 TRP N 1 1 6 1422 1 1 2 TRP NE1 N 5.743 -0.803 -4.023 1.00 . A A . 2 TRP NE1 1 1 6 1423 1 1 2 TRP O O 2.776 -2.775 0.470 1.00 . A A . 2 TRP O 1 1 6 1424 1 1 3 LEU C C -0.281 -1.023 1.000 1.00 . A A . 3 LEU C 1 1 6 1425 1 1 3 LEU CA C 0.882 -1.361 1.933 1.00 . A A . 3 LEU CA 1 1 6 1426 1 1 3 LEU CB C 0.677 -0.880 3.372 1.00 . A A . 3 LEU CB 1 1 6 1427 1 1 3 LEU CD1 C -0.944 -2.711 3.988 1.00 . A A . 3 LEU CD1 1 1 6 1428 1 1 3 LEU CD2 C 1.505 -2.908 4.621 1.00 . A A . 3 LEU CD2 1 1 6 1429 1 1 3 LEU CG C 0.325 -1.960 4.396 1.00 . A A . 3 LEU CG 1 1 6 1430 1 1 3 LEU H H 2.262 0.155 1.568 1.00 . A A . 3 LEU H 1 1 6 1431 1 1 3 LEU HA H 0.992 -2.445 1.969 1.00 . A A . 3 LEU HA 1 1 6 1432 1 1 3 LEU HB2 H 1.587 -0.379 3.700 1.00 . A A . 3 LEU HB2 1 1 6 1433 1 1 3 LEU HB3 H -0.117 -0.132 3.374 1.00 . A A . 3 LEU HB3 1 1 6 1434 1 1 3 LEU HD11 H -0.686 -3.506 3.289 1.00 . A A . 3 LEU HD11 1 1 6 1435 1 1 3 LEU HD12 H -1.411 -3.142 4.873 1.00 . A A . 3 LEU HD12 1 1 6 1436 1 1 3 LEU HD13 H -1.639 -2.019 3.512 1.00 . A A . 3 LEU HD13 1 1 6 1437 1 1 3 LEU HD21 H 1.910 -3.217 3.658 1.00 . A A . 3 LEU HD21 1 1 6 1438 1 1 3 LEU HD22 H 2.279 -2.396 5.193 1.00 . A A . 3 LEU HD22 1 1 6 1439 1 1 3 LEU HD23 H 1.166 -3.785 5.172 1.00 . A A . 3 LEU HD23 1 1 6 1440 1 1 3 LEU HG H 0.118 -1.472 5.349 1.00 . A A . 3 LEU HG 1 1 6 1441 1 1 3 LEU N N 2.112 -0.816 1.385 1.00 . A A . 3 LEU N 1 1 6 1442 1 1 3 LEU O O -0.243 -0.015 0.295 1.00 . A A . 3 LEU O 1 1 6 1443 1 1 4 LYS C C -3.532 -2.711 0.572 1.00 . A A . 4 LYS C 1 1 6 1444 1 1 4 LYS CA C -2.461 -1.687 0.189 1.00 . A A . 4 LYS CA 1 1 6 1445 1 1 4 LYS CB C -2.076 -1.724 -1.292 1.00 . A A . 4 LYS CB 1 1 6 1446 1 1 4 LYS CD C -1.517 -3.313 -3.168 1.00 . A A . 4 LYS CD 1 1 6 1447 1 1 4 LYS CE C -0.275 -4.054 -3.664 1.00 . A A . 4 LYS CE 1 1 6 1448 1 1 4 LYS CG C -1.443 -3.067 -1.660 1.00 . A A . 4 LYS CG 1 1 6 1449 1 1 4 LYS H H -1.312 -2.699 1.600 1.00 . A A . 4 LYS H 1 1 6 1450 1 1 4 LYS HA H -2.848 -0.689 0.397 1.00 . A A . 4 LYS HA 1 1 6 1451 1 1 4 LYS HB2 H -2.961 -1.554 -1.905 1.00 . A A . 4 LYS HB2 1 1 6 1452 1 1 4 LYS HB3 H -1.377 -0.916 -1.509 1.00 . A A . 4 LYS HB3 1 1 6 1453 1 1 4 LYS HD2 H -2.410 -3.894 -3.402 1.00 . A A . 4 LYS HD2 1 1 6 1454 1 1 4 LYS HD3 H -1.611 -2.362 -3.692 1.00 . A A . 4 LYS HD3 1 1 6 1455 1 1 4 LYS HE2 H 0.587 -3.386 -3.645 1.00 . A A . 4 LYS HE2 1 1 6 1456 1 1 4 LYS HE3 H -0.048 -4.886 -2.998 1.00 . A A . 4 LYS HE3 1 1 6 1457 1 1 4 LYS HG2 H -0.402 -3.083 -1.336 1.00 . A A . 4 LYS HG2 1 1 6 1458 1 1 4 LYS HG3 H -1.954 -3.871 -1.131 1.00 . A A . 4 LYS HG3 1 1 6 1459 1 1 4 LYS HZ1 H 0.026 -3.992 -5.685 1.00 . A A . 4 LYS HZ1 1 1 6 1460 1 1 4 LYS HZ2 H -0.168 -5.505 -5.101 1.00 . A A . 4 LYS HZ2 1 1 6 1461 1 1 4 LYS HZ3 H -1.461 -4.519 -5.263 1.00 . A A . 4 LYS HZ3 1 1 6 1462 1 1 4 LYS N N -1.288 -1.882 1.025 1.00 . A A . 4 LYS N 1 1 6 1463 1 1 4 LYS NZ N -0.486 -4.559 -5.040 1.00 . A A . 4 LYS NZ 1 1 6 1464 1 1 4 LYS O O -3.254 -3.907 0.643 1.00 . A A . 4 LYS O 1 1 6 1465 1 1 5 LYS C C -7.088 -2.650 0.387 1.00 . A A . 5 LYS C 1 1 6 1466 1 1 5 LYS CA C -5.846 -3.060 1.181 1.00 . A A . 5 LYS CA 1 1 6 1467 1 1 5 LYS CB C -6.053 -3.039 2.698 1.00 . A A . 5 LYS CB 1 1 6 1468 1 1 5 LYS CD C -6.688 -4.525 4.634 1.00 . A A . 5 LYS CD 1 1 6 1469 1 1 5 LYS CE C -5.625 -5.610 4.820 1.00 . A A . 5 LYS CE 1 1 6 1470 1 1 5 LYS CG C -6.910 -4.222 3.150 1.00 . A A . 5 LYS CG 1 1 6 1471 1 1 5 LYS H H -4.950 -1.230 0.748 1.00 . A A . 5 LYS H 1 1 6 1472 1 1 5 LYS HA H -5.580 -4.080 0.907 1.00 . A A . 5 LYS HA 1 1 6 1473 1 1 5 LYS HB2 H -5.086 -3.072 3.201 1.00 . A A . 5 LYS HB2 1 1 6 1474 1 1 5 LYS HB3 H -6.532 -2.105 2.990 1.00 . A A . 5 LYS HB3 1 1 6 1475 1 1 5 LYS HD2 H -6.379 -3.616 5.151 1.00 . A A . 5 LYS HD2 1 1 6 1476 1 1 5 LYS HD3 H -7.626 -4.846 5.087 1.00 . A A . 5 LYS HD3 1 1 6 1477 1 1 5 LYS HE2 H -5.132 -5.811 3.869 1.00 . A A . 5 LYS HE2 1 1 6 1478 1 1 5 LYS HE3 H -4.858 -5.262 5.510 1.00 . A A . 5 LYS HE3 1 1 6 1479 1 1 5 LYS HG2 H -7.962 -4.002 2.974 1.00 . A A . 5 LYS HG2 1 1 6 1480 1 1 5 LYS HG3 H -6.664 -5.103 2.556 1.00 . A A . 5 LYS HG3 1 1 6 1481 1 1 5 LYS HZ1 H -6.729 -6.655 6.188 1.00 . A A . 5 LYS HZ1 1 1 6 1482 1 1 5 LYS HZ2 H -6.883 -7.215 4.661 1.00 . A A . 5 LYS HZ2 1 1 6 1483 1 1 5 LYS HZ3 H -5.527 -7.530 5.514 1.00 . A A . 5 LYS HZ3 1 1 6 1484 1 1 5 LYS N N -4.733 -2.204 0.808 1.00 . A A . 5 LYS N 1 1 6 1485 1 1 5 LYS NZ N -6.240 -6.853 5.337 1.00 . A A . 5 LYS NZ 1 1 6 1486 1 1 5 LYS O O -7.510 -3.363 -0.523 1.00 . A A . 5 LYS O 1 1 6 1487 1 1 6 ARG C C -8.806 0.540 0.082 1.00 . A A . 6 ARG C 1 1 6 1488 1 1 6 ARG CA C -8.821 -0.990 0.089 1.00 . A A . 6 ARG CA 1 1 6 1489 1 1 6 ARG CB C -10.097 -1.476 0.781 1.00 . A A . 6 ARG CB 1 1 6 1490 1 1 6 ARG CD C -11.859 -2.756 -0.490 1.00 . A A . 6 ARG CD 1 1 6 1491 1 1 6 ARG CG C -11.302 -1.371 -0.155 1.00 . A A . 6 ARG CG 1 1 6 1492 1 1 6 ARG CZ C -12.898 -3.844 -2.477 1.00 . A A . 6 ARG CZ 1 1 6 1493 1 1 6 ARG H H -7.287 -0.929 1.497 1.00 . A A . 6 ARG H 1 1 6 1494 1 1 6 ARG HA H -8.765 -1.389 -0.922 1.00 . A A . 6 ARG HA 1 1 6 1495 1 1 6 ARG HB2 H -9.969 -2.510 1.101 1.00 . A A . 6 ARG HB2 1 1 6 1496 1 1 6 ARG HB3 H -10.277 -0.885 1.678 1.00 . A A . 6 ARG HB3 1 1 6 1497 1 1 6 ARG HD2 H -11.063 -3.500 -0.439 1.00 . A A . 6 ARG HD2 1 1 6 1498 1 1 6 ARG HD3 H -12.610 -3.043 0.246 1.00 . A A . 6 ARG HD3 1 1 6 1499 1 1 6 ARG HE H -12.533 -1.871 -2.317 1.00 . A A . 6 ARG HE 1 1 6 1500 1 1 6 ARG HG2 H -12.079 -0.767 0.312 1.00 . A A . 6 ARG HG2 1 1 6 1501 1 1 6 ARG HG3 H -11.010 -0.861 -1.074 1.00 . A A . 6 ARG HG3 1 1 6 1502 1 1 6 ARG HH11 H -12.421 -5.117 -0.965 1.00 . A A . 6 ARG HH11 1 1 6 1503 1 1 6 ARG HH12 H -13.145 -5.858 -2.354 1.00 . A A . 6 ARG HH12 1 1 6 1504 1 1 6 ARG HH21 H -13.488 -2.847 -4.149 1.00 . A A . 6 ARG HH21 1 1 6 1505 1 1 6 ARG HH22 H -13.755 -4.558 -4.177 1.00 . A A . 6 ARG HH22 1 1 6 1506 1 1 6 ARG N N -7.637 -1.503 0.758 1.00 . A A . 6 ARG N 1 1 6 1507 1 1 6 ARG NE N -12.456 -2.749 -1.844 1.00 . A A . 6 ARG NE 1 1 6 1508 1 1 6 ARG NH1 N -12.814 -5.041 -1.882 1.00 . A A . 6 ARG NH1 1 1 6 1509 1 1 6 ARG NH2 N -13.426 -3.742 -3.705 1.00 . A A . 6 ARG NH2 1 1 6 1510 1 1 6 ARG O O -9.811 1.176 0.393 1.00 . A A . 6 ARG O 1 1 6 1511 1 1 7 ARG C C -6.018 2.906 -0.174 1.00 . A A . 7 ARG C 1 1 6 1512 1 1 7 ARG CA C -7.493 2.529 -0.330 1.00 . A A . 7 ARG CA 1 1 6 1513 1 1 7 ARG CB C -8.306 3.215 0.770 1.00 . A A . 7 ARG CB 1 1 6 1514 1 1 7 ARG CD C -9.657 5.294 0.316 1.00 . A A . 7 ARG CD 1 1 6 1515 1 1 7 ARG CG C -9.620 3.768 0.216 1.00 . A A . 7 ARG CG 1 1 6 1516 1 1 7 ARG CZ C -10.346 6.976 2.021 1.00 . A A . 7 ARG CZ 1 1 6 1517 1 1 7 ARG H H -6.840 0.561 -0.528 1.00 . A A . 7 ARG H 1 1 6 1518 1 1 7 ARG HA H -7.869 2.815 -1.312 1.00 . A A . 7 ARG HA 1 1 6 1519 1 1 7 ARG HB2 H -8.515 2.503 1.570 1.00 . A A . 7 ARG HB2 1 1 6 1520 1 1 7 ARG HB3 H -7.722 4.023 1.209 1.00 . A A . 7 ARG HB3 1 1 6 1521 1 1 7 ARG HD2 H -8.662 5.703 0.135 1.00 . A A . 7 ARG HD2 1 1 6 1522 1 1 7 ARG HD3 H -10.312 5.701 -0.455 1.00 . A A . 7 ARG HD3 1 1 6 1523 1 1 7 ARG HE H -10.313 4.986 2.328 1.00 . A A . 7 ARG HE 1 1 6 1524 1 1 7 ARG HG2 H -9.737 3.464 -0.824 1.00 . A A . 7 ARG HG2 1 1 6 1525 1 1 7 ARG HG3 H -10.459 3.344 0.769 1.00 . A A . 7 ARG HG3 1 1 6 1526 1 1 7 ARG HH11 H -9.795 7.762 0.227 1.00 . A A . 7 ARG HH11 1 1 6 1527 1 1 7 ARG HH12 H -10.276 8.918 1.424 1.00 . A A . 7 ARG HH12 1 1 6 1528 1 1 7 ARG HH21 H -10.950 6.512 3.906 1.00 . A A . 7 ARG HH21 1 1 6 1529 1 1 7 ARG HH22 H -10.938 8.202 3.530 1.00 . A A . 7 ARG HH22 1 1 6 1530 1 1 7 ARG N N -7.653 1.086 -0.277 1.00 . A A . 7 ARG N 1 1 6 1531 1 1 7 ARG NE N -10.136 5.704 1.654 1.00 . A A . 7 ARG NE 1 1 6 1532 1 1 7 ARG NH1 N -10.120 7.969 1.150 1.00 . A A . 7 ARG NH1 1 1 6 1533 1 1 7 ARG NH2 N -10.781 7.254 3.257 1.00 . A A . 7 ARG NH2 1 1 6 1534 1 1 7 ARG O O -5.602 3.986 -0.591 1.00 . A A . 7 ARG O 1 1 6 1535 1 1 8 TRP C C -3.103 1.770 -0.614 1.00 . A A . 8 TRP C 1 1 6 1536 1 1 8 TRP CA C -3.849 2.217 0.645 1.00 . A A . 8 TRP CA 1 1 6 1537 1 1 8 TRP CB C -3.368 1.505 1.910 1.00 . A A . 8 TRP CB 1 1 6 1538 1 1 8 TRP CD1 C -3.592 3.189 3.853 1.00 . A A . 8 TRP CD1 1 1 6 1539 1 1 8 TRP CD2 C -5.025 1.504 3.986 1.00 . A A . 8 TRP CD2 1 1 6 1540 1 1 8 TRP CE2 C -5.248 2.322 5.075 1.00 . A A . 8 TRP CE2 1 1 6 1541 1 1 8 TRP CE3 C -5.781 0.336 3.781 1.00 . A A . 8 TRP CE3 1 1 6 1542 1 1 8 TRP CG C -3.953 2.073 3.205 1.00 . A A . 8 TRP CG 1 1 6 1543 1 1 8 TRP CH2 C -6.991 0.903 5.857 1.00 . A A . 8 TRP CH2 1 1 6 1544 1 1 8 TRP CZ2 C -6.226 2.062 6.042 1.00 . A A . 8 TRP CZ2 1 1 6 1545 1 1 8 TRP CZ3 C -6.753 0.089 4.757 1.00 . A A . 8 TRP CZ3 1 1 6 1546 1 1 8 TRP H H -5.614 1.119 0.765 1.00 . A A . 8 TRP H 1 1 6 1547 1 1 8 TRP HA H -3.699 3.285 0.805 1.00 . A A . 8 TRP HA 1 1 6 1548 1 1 8 TRP HB2 H -3.626 0.448 1.840 1.00 . A A . 8 TRP HB2 1 1 6 1549 1 1 8 TRP HB3 H -2.281 1.565 1.958 1.00 . A A . 8 TRP HB3 1 1 6 1550 1 1 8 TRP HD1 H -2.800 3.860 3.523 1.00 . A A . 8 TRP HD1 1 1 6 1551 1 1 8 TRP HE1 H -4.259 4.207 5.695 1.00 . A A . 8 TRP HE1 1 1 6 1552 1 1 8 TRP HE3 H -5.623 -0.327 2.929 1.00 . A A . 8 TRP HE3 1 1 6 1553 1 1 8 TRP HH2 H -7.769 0.642 6.575 1.00 . A A . 8 TRP HH2 1 1 6 1554 1 1 8 TRP HZ2 H -6.382 2.724 6.893 1.00 . A A . 8 TRP HZ2 1 1 6 1555 1 1 8 TRP HZ3 H -7.368 -0.804 4.645 1.00 . A A . 8 TRP HZ3 1 1 6 1556 1 1 8 TRP N N -5.268 1.994 0.428 1.00 . A A . 8 TRP N 1 1 6 1557 1 1 8 TRP NE1 N -4.349 3.380 4.991 1.00 . A A . 8 TRP NE1 1 1 6 1558 1 1 8 TRP O O -3.417 0.729 -1.189 1.00 . A A . 8 TRP O 1 1 6 1559 1 1 9 LYS C C -0.144 3.236 -2.251 1.00 . A A . 9 LYS C 1 1 6 1560 1 1 9 LYS CA C -1.334 2.277 -2.184 1.00 . A A . 9 LYS CA 1 1 6 1561 1 1 9 LYS CB C -2.211 2.294 -3.437 1.00 . A A . 9 LYS CB 1 1 6 1562 1 1 9 LYS CD C -1.817 1.804 -5.880 1.00 . A A . 9 LYS CD 1 1 6 1563 1 1 9 LYS CE C -2.655 0.886 -6.773 1.00 . A A . 9 LYS CE 1 1 6 1564 1 1 9 LYS CG C -1.734 1.254 -4.454 1.00 . A A . 9 LYS CG 1 1 6 1565 1 1 9 LYS H H -1.877 3.422 -0.531 1.00 . A A . 9 LYS H 1 1 6 1566 1 1 9 LYS HA H -0.953 1.262 -2.072 1.00 . A A . 9 LYS HA 1 1 6 1567 1 1 9 LYS HB2 H -3.246 2.093 -3.165 1.00 . A A . 9 LYS HB2 1 1 6 1568 1 1 9 LYS HB3 H -2.186 3.286 -3.889 1.00 . A A . 9 LYS HB3 1 1 6 1569 1 1 9 LYS HD2 H -2.255 2.801 -5.864 1.00 . A A . 9 LYS HD2 1 1 6 1570 1 1 9 LYS HD3 H -0.813 1.902 -6.294 1.00 . A A . 9 LYS HD3 1 1 6 1571 1 1 9 LYS HE2 H -2.108 0.661 -7.688 1.00 . A A . 9 LYS HE2 1 1 6 1572 1 1 9 LYS HE3 H -2.833 -0.062 -6.266 1.00 . A A . 9 LYS HE3 1 1 6 1573 1 1 9 LYS HG2 H -0.707 0.966 -4.231 1.00 . A A . 9 LYS HG2 1 1 6 1574 1 1 9 LYS HG3 H -2.343 0.354 -4.372 1.00 . A A . 9 LYS HG3 1 1 6 1575 1 1 9 LYS HZ1 H -3.960 1.770 -8.075 1.00 . A A . 9 LYS HZ1 1 1 6 1576 1 1 9 LYS HZ2 H -4.695 0.890 -6.911 1.00 . A A . 9 LYS HZ2 1 1 6 1577 1 1 9 LYS HZ3 H -4.062 2.353 -6.553 1.00 . A A . 9 LYS HZ3 1 1 6 1578 1 1 9 LYS N N -2.128 2.577 -1.005 1.00 . A A . 9 LYS N 1 1 6 1579 1 1 9 LYS NZ N -3.948 1.527 -7.105 1.00 . A A . 9 LYS NZ 1 1 6 1580 1 1 9 LYS O O -0.091 4.104 -3.122 1.00 . A A . 9 LYS O 1 1 6 1581 1 1 10 LYS C C 3.154 3.122 -1.844 1.00 . A A . 10 LYS C 1 1 6 1582 1 1 10 LYS CA C 1.965 3.888 -1.264 1.00 . A A . 10 LYS CA 1 1 6 1583 1 1 10 LYS CB C 2.195 4.394 0.162 1.00 . A A . 10 LYS CB 1 1 6 1584 1 1 10 LYS CD C 3.470 6.330 1.153 1.00 . A A . 10 LYS CD 1 1 6 1585 1 1 10 LYS CE C 4.063 7.685 0.760 1.00 . A A . 10 LYS CE 1 1 6 1586 1 1 10 LYS CG C 2.362 5.915 0.184 1.00 . A A . 10 LYS CG 1 1 6 1587 1 1 10 LYS H H 0.729 2.342 -0.616 1.00 . A A . 10 LYS H 1 1 6 1588 1 1 10 LYS HA H 1.778 4.762 -1.888 1.00 . A A . 10 LYS HA 1 1 6 1589 1 1 10 LYS HB2 H 1.354 4.107 0.795 1.00 . A A . 10 LYS HB2 1 1 6 1590 1 1 10 LYS HB3 H 3.084 3.920 0.580 1.00 . A A . 10 LYS HB3 1 1 6 1591 1 1 10 LYS HD2 H 3.071 6.384 2.167 1.00 . A A . 10 LYS HD2 1 1 6 1592 1 1 10 LYS HD3 H 4.255 5.574 1.160 1.00 . A A . 10 LYS HD3 1 1 6 1593 1 1 10 LYS HE2 H 5.045 7.805 1.217 1.00 . A A . 10 LYS HE2 1 1 6 1594 1 1 10 LYS HE3 H 4.205 7.727 -0.320 1.00 . A A . 10 LYS HE3 1 1 6 1595 1 1 10 LYS HG2 H 2.596 6.273 -0.818 1.00 . A A . 10 LYS HG2 1 1 6 1596 1 1 10 LYS HG3 H 1.423 6.383 0.478 1.00 . A A . 10 LYS HG3 1 1 6 1597 1 1 10 LYS HZ1 H 2.572 8.461 1.924 1.00 . A A . 10 LYS HZ1 1 1 6 1598 1 1 10 LYS HZ2 H 3.723 9.550 1.526 1.00 . A A . 10 LYS HZ2 1 1 6 1599 1 1 10 LYS HZ3 H 2.616 9.088 0.416 1.00 . A A . 10 LYS HZ3 1 1 6 1600 1 1 10 LYS N N 0.780 3.049 -1.321 1.00 . A A . 10 LYS N 1 1 6 1601 1 1 10 LYS NZ N 3.171 8.785 1.192 1.00 . A A . 10 LYS NZ 1 1 6 1602 1 1 10 LYS O O 2.984 2.055 -2.431 1.00 . A A . 10 LYS O 1 1 6 1603 1 1 11 ALA C C 6.739 3.557 -1.319 1.00 . A A . 11 ALA C 1 1 6 1604 1 1 11 ALA CA C 5.552 3.082 -2.159 1.00 . A A . 11 ALA CA 1 1 6 1605 1 1 11 ALA CB C 5.720 3.410 -3.644 1.00 . A A . 11 ALA CB 1 1 6 1606 1 1 11 ALA H H 4.465 4.566 -1.183 1.00 . A A . 11 ALA H 1 1 6 1607 1 1 11 ALA HA H 5.449 2.002 -2.048 1.00 . A A . 11 ALA HA 1 1 6 1608 1 1 11 ALA HB1 H 6.456 2.738 -4.084 1.00 . A A . 11 ALA HB1 1 1 6 1609 1 1 11 ALA HB2 H 4.764 3.287 -4.153 1.00 . A A . 11 ALA HB2 1 1 6 1610 1 1 11 ALA HB3 H 6.059 4.440 -3.753 1.00 . A A . 11 ALA HB3 1 1 6 1611 1 1 11 ALA N N 4.335 3.697 -1.661 1.00 . A A . 11 ALA N 1 1 6 1612 1 1 11 ALA O O 6.894 4.754 -1.078 1.00 . A A . 11 ALA O 1 1 6 1613 1 1 12 LYS C C 9.527 1.623 0.131 1.00 . A A . 12 LYS C 1 1 6 1614 1 1 12 LYS CA C 8.716 2.902 -0.089 1.00 . A A . 12 LYS CA 1 1 6 1615 1 1 12 LYS CB C 8.303 3.598 1.209 1.00 . A A . 12 LYS CB 1 1 6 1616 1 1 12 LYS CD C 6.827 3.285 3.231 1.00 . A A . 12 LYS CD 1 1 6 1617 1 1 12 LYS CE C 5.401 2.737 3.151 1.00 . A A . 12 LYS CE 1 1 6 1618 1 1 12 LYS CG C 7.738 2.593 2.215 1.00 . A A . 12 LYS CG 1 1 6 1619 1 1 12 LYS H H 7.414 1.625 -1.098 1.00 . A A . 12 LYS H 1 1 6 1620 1 1 12 LYS HA H 9.327 3.606 -0.652 1.00 . A A . 12 LYS HA 1 1 6 1621 1 1 12 LYS HB2 H 9.162 4.108 1.643 1.00 . A A . 12 LYS HB2 1 1 6 1622 1 1 12 LYS HB3 H 7.555 4.361 0.994 1.00 . A A . 12 LYS HB3 1 1 6 1623 1 1 12 LYS HD2 H 7.221 3.140 4.236 1.00 . A A . 12 LYS HD2 1 1 6 1624 1 1 12 LYS HD3 H 6.818 4.359 3.043 1.00 . A A . 12 LYS HD3 1 1 6 1625 1 1 12 LYS HE2 H 4.824 3.312 2.427 1.00 . A A . 12 LYS HE2 1 1 6 1626 1 1 12 LYS HE3 H 5.421 1.706 2.796 1.00 . A A . 12 LYS HE3 1 1 6 1627 1 1 12 LYS HG2 H 7.180 1.819 1.688 1.00 . A A . 12 LYS HG2 1 1 6 1628 1 1 12 LYS HG3 H 8.557 2.096 2.735 1.00 . A A . 12 LYS HG3 1 1 6 1629 1 1 12 LYS HZ1 H 3.761 2.675 4.368 1.00 . A A . 12 LYS HZ1 1 1 6 1630 1 1 12 LYS HZ2 H 5.112 2.075 5.063 1.00 . A A . 12 LYS HZ2 1 1 6 1631 1 1 12 LYS HZ3 H 4.927 3.689 4.897 1.00 . A A . 12 LYS HZ3 1 1 6 1632 1 1 12 LYS N N 7.548 2.596 -0.897 1.00 . A A . 12 LYS N 1 1 6 1633 1 1 12 LYS NZ N 4.747 2.799 4.477 1.00 . A A . 12 LYS NZ 1 1 6 1634 1 1 12 LYS O O 9.294 0.811 1.025 1.00 . A A . 12 LYS O 1 1 6 1635 1 1 13 DPR C C 10.996 -1.115 -0.831 1.00 . A A . 13 DPR C 1 1 6 1636 1 1 13 DPR CA C 11.548 0.335 -0.583 1.00 . A A . 13 DPR CA 1 1 6 1637 1 1 13 DPR CB C 12.640 0.804 -1.568 1.00 . A A . 13 DPR CB 1 1 6 1638 1 1 13 DPR CD C 10.739 2.232 -1.976 1.00 . A A . 13 DPR CD 1 1 6 1639 1 1 13 DPR CG C 11.881 1.514 -2.694 1.00 . A A . 13 DPR CG 1 1 6 1640 1 1 13 DPR HA H 11.984 0.353 0.437 1.00 . A A . 13 DPR HA 1 1 6 1641 1 1 13 DPR HB2 H 13.273 -0.025 -1.940 1.00 . A A . 13 DPR HB2 1 1 6 1642 1 1 13 DPR HB3 H 13.325 1.515 -1.065 1.00 . A A . 13 DPR HB3 1 1 6 1643 1 1 13 DPR HD2 H 9.824 2.268 -2.599 1.00 . A A . 13 DPR HD2 1 1 6 1644 1 1 13 DPR HD3 H 11.023 3.275 -1.729 1.00 . A A . 13 DPR HD3 1 1 6 1645 1 1 13 DPR HG2 H 12.519 2.200 -3.280 1.00 . A A . 13 DPR HG2 1 1 6 1646 1 1 13 DPR HG3 H 11.473 0.764 -3.401 1.00 . A A . 13 DPR HG3 1 1 6 1647 1 1 13 DPR N N 10.550 1.434 -0.745 1.00 . A A . 13 DPR N 1 1 6 1648 1 1 13 DPR O O 10.551 -1.466 -1.925 1.00 . A A . 13 DPR O 1 1 6 1649 1 1 14 PRO C C 9.328 -3.802 -0.471 1.00 . A A . 14 PRO C 1 1 6 1650 1 1 14 PRO CA C 10.749 -3.415 0.063 1.00 . A A . 14 PRO CA 1 1 6 1651 1 1 14 PRO CB C 11.068 -3.925 1.487 1.00 . A A . 14 PRO CB 1 1 6 1652 1 1 14 PRO CD C 11.311 -1.517 1.590 1.00 . A A . 14 PRO CD 1 1 6 1653 1 1 14 PRO CG C 10.867 -2.723 2.419 1.00 . A A . 14 PRO CG 1 1 6 1654 1 1 14 PRO HA H 11.474 -3.880 -0.633 1.00 . A A . 14 PRO HA 1 1 6 1655 1 1 14 PRO HB2 H 10.459 -4.800 1.786 1.00 . A A . 14 PRO HB2 1 1 6 1656 1 1 14 PRO HB3 H 12.124 -4.259 1.533 1.00 . A A . 14 PRO HB3 1 1 6 1657 1 1 14 PRO HD2 H 10.749 -0.597 1.844 1.00 . A A . 14 PRO HD2 1 1 6 1658 1 1 14 PRO HD3 H 12.389 -1.298 1.732 1.00 . A A . 14 PRO HD3 1 1 6 1659 1 1 14 PRO HG2 H 9.799 -2.623 2.691 1.00 . A A . 14 PRO HG2 1 1 6 1660 1 1 14 PRO HG3 H 11.432 -2.815 3.366 1.00 . A A . 14 PRO HG3 1 1 6 1661 1 1 14 PRO N N 11.059 -1.969 0.211 1.00 . A A . 14 PRO N 1 1 6 1662 1 1 14 PRO O O 9.180 -4.290 -1.587 1.00 . A A . 14 PRO O 1 1 7 1663 1 1 1 THR C C 5.377 -2.625 1.813 1.00 . A A . 1 THR C 1 1 7 1664 1 1 1 THR CA C 6.571 -3.255 1.094 1.00 . A A . 1 THR CA 1 1 7 1665 1 1 1 THR CB C 6.716 -4.755 1.357 1.00 . A A . 1 THR CB 1 1 7 1666 1 1 1 THR CG2 C 6.133 -5.172 2.708 1.00 . A A . 1 THR CG2 1 1 7 1667 1 1 1 THR H1 H 8.052 -1.796 0.967 1.00 . A A . 1 THR H1 1 1 7 1668 1 1 1 THR HA H 6.427 -3.085 0.027 1.00 . A A . 1 THR HA 1 1 7 1669 1 1 1 THR HB H 7.757 -5.067 1.270 1.00 . A A . 1 THR HB 1 1 7 1670 1 1 1 THR HG1 H 4.896 -5.160 0.631 1.00 . A A . 1 THR HG1 1 1 7 1671 1 1 1 THR HG21 H 5.065 -4.956 2.725 1.00 . A A . 1 THR HG21 1 1 7 1672 1 1 1 THR HG22 H 6.290 -6.240 2.858 1.00 . A A . 1 THR HG22 1 1 7 1673 1 1 1 THR HG23 H 6.628 -4.617 3.505 1.00 . A A . 1 THR HG23 1 1 7 1674 1 1 1 THR N N 7.806 -2.607 1.499 1.00 . A A . 1 THR N 1 1 7 1675 1 1 1 THR O O 5.236 -2.762 3.027 1.00 . A A . 1 THR O 1 1 7 1676 1 1 1 THR OG1 O 5.848 -5.361 0.402 1.00 . A A . 1 THR OG1 1 1 7 1677 1 1 2 TRP C C 2.157 -1.749 0.767 1.00 . A A . 2 TRP C 1 1 7 1678 1 1 2 TRP CA C 3.370 -1.296 1.580 1.00 . A A . 2 TRP CA 1 1 7 1679 1 1 2 TRP CB C 3.543 0.224 1.598 1.00 . A A . 2 TRP CB 1 1 7 1680 1 1 2 TRP CD1 C 4.500 0.802 3.925 1.00 . A A . 2 TRP CD1 1 1 7 1681 1 1 2 TRP CD2 C 2.450 1.580 3.605 1.00 . A A . 2 TRP CD2 1 1 7 1682 1 1 2 TRP CE2 C 2.840 1.953 4.874 1.00 . A A . 2 TRP CE2 1 1 7 1683 1 1 2 TRP CE3 C 1.185 1.923 3.095 1.00 . A A . 2 TRP CE3 1 1 7 1684 1 1 2 TRP CG C 3.530 0.837 3.001 1.00 . A A . 2 TRP CG 1 1 7 1685 1 1 2 TRP CH2 C 0.760 3.045 5.254 1.00 . A A . 2 TRP CH2 1 1 7 1686 1 1 2 TRP CZ2 C 2.024 2.692 5.740 1.00 . A A . 2 TRP CZ2 1 1 7 1687 1 1 2 TRP CZ3 C 0.382 2.660 3.973 1.00 . A A . 2 TRP CZ3 1 1 7 1688 1 1 2 TRP H H 4.669 -1.841 0.046 1.00 . A A . 2 TRP H 1 1 7 1689 1 1 2 TRP HA H 3.264 -1.615 2.617 1.00 . A A . 2 TRP HA 1 1 7 1690 1 1 2 TRP HB2 H 4.485 0.478 1.112 1.00 . A A . 2 TRP HB2 1 1 7 1691 1 1 2 TRP HB3 H 2.747 0.678 1.008 1.00 . A A . 2 TRP HB3 1 1 7 1692 1 1 2 TRP HD1 H 5.463 0.312 3.785 1.00 . A A . 2 TRP HD1 1 1 7 1693 1 1 2 TRP HE1 H 4.728 1.586 5.976 1.00 . A A . 2 TRP HE1 1 1 7 1694 1 1 2 TRP HE3 H 0.854 1.639 2.096 1.00 . A A . 2 TRP HE3 1 1 7 1695 1 1 2 TRP HH2 H 0.075 3.620 5.877 1.00 . A A . 2 TRP HH2 1 1 7 1696 1 1 2 TRP HZ2 H 2.355 2.975 6.739 1.00 . A A . 2 TRP HZ2 1 1 7 1697 1 1 2 TRP HZ3 H -0.609 2.954 3.627 1.00 . A A . 2 TRP HZ3 1 1 7 1698 1 1 2 TRP N N 4.547 -1.948 1.033 1.00 . A A . 2 TRP N 1 1 7 1699 1 1 2 TRP NE1 N 4.126 1.466 5.075 1.00 . A A . 2 TRP NE1 1 1 7 1700 1 1 2 TRP O O 1.151 -2.176 1.331 1.00 . A A . 2 TRP O 1 1 7 1701 1 1 3 LEU C C -0.009 -1.163 -1.180 1.00 . A A . 3 LEU C 1 1 7 1702 1 1 3 LEU CA C 1.219 -2.036 -1.444 1.00 . A A . 3 LEU CA 1 1 7 1703 1 1 3 LEU CB C 0.944 -3.536 -1.325 1.00 . A A . 3 LEU CB 1 1 7 1704 1 1 3 LEU CD1 C 2.020 -5.546 -0.247 1.00 . A A . 3 LEU CD1 1 1 7 1705 1 1 3 LEU CD2 C 2.469 -5.013 -2.686 1.00 . A A . 3 LEU CD2 1 1 7 1706 1 1 3 LEU CG C 2.175 -4.443 -1.296 1.00 . A A . 3 LEU CG 1 1 7 1707 1 1 3 LEU H H 3.113 -1.293 -0.998 1.00 . A A . 3 LEU H 1 1 7 1708 1 1 3 LEU HA H 1.560 -1.851 -2.463 1.00 . A A . 3 LEU HA 1 1 7 1709 1 1 3 LEU HB2 H 0.370 -3.709 -0.414 1.00 . A A . 3 LEU HB2 1 1 7 1710 1 1 3 LEU HB3 H 0.313 -3.838 -2.160 1.00 . A A . 3 LEU HB3 1 1 7 1711 1 1 3 LEU HD11 H 2.514 -6.453 -0.597 1.00 . A A . 3 LEU HD11 1 1 7 1712 1 1 3 LEU HD12 H 2.475 -5.223 0.690 1.00 . A A . 3 LEU HD12 1 1 7 1713 1 1 3 LEU HD13 H 0.962 -5.748 -0.086 1.00 . A A . 3 LEU HD13 1 1 7 1714 1 1 3 LEU HD21 H 1.854 -5.896 -2.855 1.00 . A A . 3 LEU HD21 1 1 7 1715 1 1 3 LEU HD22 H 2.240 -4.262 -3.442 1.00 . A A . 3 LEU HD22 1 1 7 1716 1 1 3 LEU HD23 H 3.522 -5.285 -2.752 1.00 . A A . 3 LEU HD23 1 1 7 1717 1 1 3 LEU HG H 3.037 -3.842 -1.006 1.00 . A A . 3 LEU HG 1 1 7 1718 1 1 3 LEU N N 2.292 -1.642 -0.547 1.00 . A A . 3 LEU N 1 1 7 1719 1 1 3 LEU O O -0.175 -0.635 -0.080 1.00 . A A . 3 LEU O 1 1 7 1720 1 1 4 LYS C C -3.269 -1.150 -2.190 1.00 . A A . 4 LYS C 1 1 7 1721 1 1 4 LYS CA C -2.046 -0.235 -2.096 1.00 . A A . 4 LYS CA 1 1 7 1722 1 1 4 LYS CB C -2.038 0.889 -3.133 1.00 . A A . 4 LYS CB 1 1 7 1723 1 1 4 LYS CD C -2.751 3.267 -3.575 1.00 . A A . 4 LYS CD 1 1 7 1724 1 1 4 LYS CE C -3.913 3.500 -4.544 1.00 . A A . 4 LYS CE 1 1 7 1725 1 1 4 LYS CG C -2.987 2.018 -2.725 1.00 . A A . 4 LYS CG 1 1 7 1726 1 1 4 LYS H H -0.696 -1.468 -3.095 1.00 . A A . 4 LYS H 1 1 7 1727 1 1 4 LYS HA H -2.040 0.233 -1.112 1.00 . A A . 4 LYS HA 1 1 7 1728 1 1 4 LYS HB2 H -1.027 1.282 -3.242 1.00 . A A . 4 LYS HB2 1 1 7 1729 1 1 4 LYS HB3 H -2.332 0.495 -4.105 1.00 . A A . 4 LYS HB3 1 1 7 1730 1 1 4 LYS HD2 H -2.634 4.136 -2.927 1.00 . A A . 4 LYS HD2 1 1 7 1731 1 1 4 LYS HD3 H -1.822 3.161 -4.135 1.00 . A A . 4 LYS HD3 1 1 7 1732 1 1 4 LYS HE2 H -4.831 3.092 -4.123 1.00 . A A . 4 LYS HE2 1 1 7 1733 1 1 4 LYS HE3 H -4.072 4.570 -4.681 1.00 . A A . 4 LYS HE3 1 1 7 1734 1 1 4 LYS HG2 H -4.020 1.687 -2.838 1.00 . A A . 4 LYS HG2 1 1 7 1735 1 1 4 LYS HG3 H -2.843 2.257 -1.672 1.00 . A A . 4 LYS HG3 1 1 7 1736 1 1 4 LYS HZ1 H -3.536 3.568 -6.551 1.00 . A A . 4 LYS HZ1 1 1 7 1737 1 1 4 LYS HZ2 H -2.787 2.335 -5.789 1.00 . A A . 4 LYS HZ2 1 1 7 1738 1 1 4 LYS HZ3 H -4.389 2.254 -6.093 1.00 . A A . 4 LYS HZ3 1 1 7 1739 1 1 4 LYS N N -0.838 -1.036 -2.205 1.00 . A A . 4 LYS N 1 1 7 1740 1 1 4 LYS NZ N -3.633 2.862 -5.850 1.00 . A A . 4 LYS NZ 1 1 7 1741 1 1 4 LYS O O -3.939 -1.193 -3.222 1.00 . A A . 4 LYS O 1 1 7 1742 1 1 5 LYS C C -5.933 -1.974 -0.778 1.00 . A A . 5 LYS C 1 1 7 1743 1 1 5 LYS CA C -4.654 -2.770 -1.047 1.00 . A A . 5 LYS CA 1 1 7 1744 1 1 5 LYS CB C -4.397 -3.884 -0.030 1.00 . A A . 5 LYS CB 1 1 7 1745 1 1 5 LYS CD C -3.359 -5.721 -1.409 1.00 . A A . 5 LYS CD 1 1 7 1746 1 1 5 LYS CE C -3.687 -6.856 -2.381 1.00 . A A . 5 LYS CE 1 1 7 1747 1 1 5 LYS CG C -4.610 -5.262 -0.660 1.00 . A A . 5 LYS CG 1 1 7 1748 1 1 5 LYS H H -2.973 -1.818 -0.267 1.00 . A A . 5 LYS H 1 1 7 1749 1 1 5 LYS HA H -4.740 -3.242 -2.026 1.00 . A A . 5 LYS HA 1 1 7 1750 1 1 5 LYS HB2 H -3.378 -3.808 0.350 1.00 . A A . 5 LYS HB2 1 1 7 1751 1 1 5 LYS HB3 H -5.065 -3.762 0.824 1.00 . A A . 5 LYS HB3 1 1 7 1752 1 1 5 LYS HD2 H -2.929 -4.883 -1.956 1.00 . A A . 5 LYS HD2 1 1 7 1753 1 1 5 LYS HD3 H -2.605 -6.056 -0.695 1.00 . A A . 5 LYS HD3 1 1 7 1754 1 1 5 LYS HE2 H -4.621 -6.639 -2.900 1.00 . A A . 5 LYS HE2 1 1 7 1755 1 1 5 LYS HE3 H -2.909 -6.929 -3.142 1.00 . A A . 5 LYS HE3 1 1 7 1756 1 1 5 LYS HG2 H -4.861 -5.985 0.116 1.00 . A A . 5 LYS HG2 1 1 7 1757 1 1 5 LYS HG3 H -5.457 -5.225 -1.346 1.00 . A A . 5 LYS HG3 1 1 7 1758 1 1 5 LYS HZ1 H -4.675 -8.575 -1.884 1.00 . A A . 5 LYS HZ1 1 1 7 1759 1 1 5 LYS HZ2 H -3.051 -8.745 -1.926 1.00 . A A . 5 LYS HZ2 1 1 7 1760 1 1 5 LYS HZ3 H -3.759 -7.975 -0.672 1.00 . A A . 5 LYS HZ3 1 1 7 1761 1 1 5 LYS N N -3.523 -1.859 -1.100 1.00 . A A . 5 LYS N 1 1 7 1762 1 1 5 LYS NZ N -3.802 -8.142 -1.656 1.00 . A A . 5 LYS NZ 1 1 7 1763 1 1 5 LYS O O -6.682 -1.665 -1.703 1.00 . A A . 5 LYS O 1 1 7 1764 1 1 6 ARG C C -6.949 0.110 1.975 1.00 . A A . 6 ARG C 1 1 7 1765 1 1 6 ARG CA C -7.317 -0.910 0.895 1.00 . A A . 6 ARG CA 1 1 7 1766 1 1 6 ARG CB C -8.410 -1.837 1.431 1.00 . A A . 6 ARG CB 1 1 7 1767 1 1 6 ARG CD C -10.165 -1.777 -0.379 1.00 . A A . 6 ARG CD 1 1 7 1768 1 1 6 ARG CG C -9.800 -1.332 1.039 1.00 . A A . 6 ARG CG 1 1 7 1769 1 1 6 ARG CZ C -12.607 -1.347 -0.626 1.00 . A A . 6 ARG CZ 1 1 7 1770 1 1 6 ARG H H -5.528 -1.919 1.239 1.00 . A A . 6 ARG H 1 1 7 1771 1 1 6 ARG HA H -7.655 -0.414 -0.014 1.00 . A A . 6 ARG HA 1 1 7 1772 1 1 6 ARG HB2 H -8.261 -2.844 1.041 1.00 . A A . 6 ARG HB2 1 1 7 1773 1 1 6 ARG HB3 H -8.336 -1.903 2.517 1.00 . A A . 6 ARG HB3 1 1 7 1774 1 1 6 ARG HD2 H -9.316 -1.626 -1.047 1.00 . A A . 6 ARG HD2 1 1 7 1775 1 1 6 ARG HD3 H -10.391 -2.843 -0.388 1.00 . A A . 6 ARG HD3 1 1 7 1776 1 1 6 ARG HE H -11.160 -0.187 -1.408 1.00 . A A . 6 ARG HE 1 1 7 1777 1 1 6 ARG HG2 H -10.540 -1.709 1.744 1.00 . A A . 6 ARG HG2 1 1 7 1778 1 1 6 ARG HG3 H -9.826 -0.244 1.100 1.00 . A A . 6 ARG HG3 1 1 7 1779 1 1 6 ARG HH11 H -12.141 -3.006 0.456 1.00 . A A . 6 ARG HH11 1 1 7 1780 1 1 6 ARG HH12 H -13.836 -2.694 0.275 1.00 . A A . 6 ARG HH12 1 1 7 1781 1 1 6 ARG HH21 H -13.395 0.225 -1.646 1.00 . A A . 6 ARG HH21 1 1 7 1782 1 1 6 ARG HH22 H -14.554 -0.844 -0.928 1.00 . A A . 6 ARG HH22 1 1 7 1783 1 1 6 ARG N N -6.143 -1.665 0.493 1.00 . A A . 6 ARG N 1 1 7 1784 1 1 6 ARG NE N -11.333 -1.009 -0.866 1.00 . A A . 6 ARG NE 1 1 7 1785 1 1 6 ARG NH1 N -12.885 -2.442 0.096 1.00 . A A . 6 ARG NH1 1 1 7 1786 1 1 6 ARG NH2 N -13.603 -0.591 -1.108 1.00 . A A . 6 ARG NH2 1 1 7 1787 1 1 6 ARG O O -6.610 -0.263 3.097 1.00 . A A . 6 ARG O 1 1 7 1788 1 1 7 ARG C C -5.200 2.710 2.533 1.00 . A A . 7 ARG C 1 1 7 1789 1 1 7 ARG CA C -6.708 2.454 2.519 1.00 . A A . 7 ARG CA 1 1 7 1790 1 1 7 ARG CB C -7.176 2.123 3.938 1.00 . A A . 7 ARG CB 1 1 7 1791 1 1 7 ARG CD C -9.244 2.968 5.106 1.00 . A A . 7 ARG CD 1 1 7 1792 1 1 7 ARG CG C -7.849 3.331 4.590 1.00 . A A . 7 ARG CG 1 1 7 1793 1 1 7 ARG CZ C -10.388 5.182 5.067 1.00 . A A . 7 ARG CZ 1 1 7 1794 1 1 7 ARG H H -7.306 1.673 0.683 1.00 . A A . 7 ARG H 1 1 7 1795 1 1 7 ARG HA H -7.249 3.319 2.136 1.00 . A A . 7 ARG HA 1 1 7 1796 1 1 7 ARG HB2 H -7.873 1.285 3.908 1.00 . A A . 7 ARG HB2 1 1 7 1797 1 1 7 ARG HB3 H -6.324 1.807 4.541 1.00 . A A . 7 ARG HB3 1 1 7 1798 1 1 7 ARG HD2 H -9.866 2.617 4.283 1.00 . A A . 7 ARG HD2 1 1 7 1799 1 1 7 ARG HD3 H -9.173 2.152 5.824 1.00 . A A . 7 ARG HD3 1 1 7 1800 1 1 7 ARG HE H -9.908 4.176 6.743 1.00 . A A . 7 ARG HE 1 1 7 1801 1 1 7 ARG HG2 H -7.236 3.694 5.414 1.00 . A A . 7 ARG HG2 1 1 7 1802 1 1 7 ARG HG3 H -7.926 4.143 3.868 1.00 . A A . 7 ARG HG3 1 1 7 1803 1 1 7 ARG HH11 H -9.950 4.420 3.233 1.00 . A A . 7 ARG HH11 1 1 7 1804 1 1 7 ARG HH12 H -10.747 5.959 3.222 1.00 . A A . 7 ARG HH12 1 1 7 1805 1 1 7 ARG HH21 H -10.957 6.206 6.729 1.00 . A A . 7 ARG HH21 1 1 7 1806 1 1 7 ARG HH22 H -11.323 6.981 5.225 1.00 . A A . 7 ARG HH22 1 1 7 1807 1 1 7 ARG N N -7.029 1.378 1.598 1.00 . A A . 7 ARG N 1 1 7 1808 1 1 7 ARG NE N -9.870 4.149 5.744 1.00 . A A . 7 ARG NE 1 1 7 1809 1 1 7 ARG NH1 N -10.359 5.188 3.728 1.00 . A A . 7 ARG NH1 1 1 7 1810 1 1 7 ARG NH2 N -10.936 6.210 5.730 1.00 . A A . 7 ARG NH2 1 1 7 1811 1 1 7 ARG O O -4.749 3.763 2.980 1.00 . A A . 7 ARG O 1 1 7 1812 1 1 8 TRP C C -2.642 2.698 0.784 1.00 . A A . 8 TRP C 1 1 7 1813 1 1 8 TRP CA C -3.013 1.833 1.989 1.00 . A A . 8 TRP CA 1 1 7 1814 1 1 8 TRP CB C -2.364 0.447 1.952 1.00 . A A . 8 TRP CB 1 1 7 1815 1 1 8 TRP CD1 C -1.807 0.209 4.460 1.00 . A A . 8 TRP CD1 1 1 7 1816 1 1 8 TRP CD2 C -2.819 -1.571 3.617 1.00 . A A . 8 TRP CD2 1 1 7 1817 1 1 8 TRP CE2 C -2.580 -1.827 4.951 1.00 . A A . 8 TRP CE2 1 1 7 1818 1 1 8 TRP CE3 C -3.456 -2.516 2.793 1.00 . A A . 8 TRP CE3 1 1 7 1819 1 1 8 TRP CG C -2.315 -0.254 3.310 1.00 . A A . 8 TRP CG 1 1 7 1820 1 1 8 TRP CH2 C -3.580 -3.979 4.778 1.00 . A A . 8 TRP CH2 1 1 7 1821 1 1 8 TRP CZ2 C -2.945 -3.024 5.580 1.00 . A A . 8 TRP CZ2 1 1 7 1822 1 1 8 TRP CZ3 C -3.813 -3.707 3.436 1.00 . A A . 8 TRP CZ3 1 1 7 1823 1 1 8 TRP H H -4.836 0.873 1.678 1.00 . A A . 8 TRP H 1 1 7 1824 1 1 8 TRP HA H -2.682 2.313 2.909 1.00 . A A . 8 TRP HA 1 1 7 1825 1 1 8 TRP HB2 H -2.911 -0.181 1.250 1.00 . A A . 8 TRP HB2 1 1 7 1826 1 1 8 TRP HB3 H -1.347 0.544 1.568 1.00 . A A . 8 TRP HB3 1 1 7 1827 1 1 8 TRP HD1 H -1.343 1.188 4.576 1.00 . A A . 8 TRP HD1 1 1 7 1828 1 1 8 TRP HE1 H -1.616 -0.583 6.513 1.00 . A A . 8 TRP HE1 1 1 7 1829 1 1 8 TRP HE3 H -3.656 -2.339 1.735 1.00 . A A . 8 TRP HE3 1 1 7 1830 1 1 8 TRP HH2 H -3.891 -4.933 5.205 1.00 . A A . 8 TRP HH2 1 1 7 1831 1 1 8 TRP HZ2 H -2.745 -3.201 6.637 1.00 . A A . 8 TRP HZ2 1 1 7 1832 1 1 8 TRP HZ3 H -4.311 -4.474 2.841 1.00 . A A . 8 TRP HZ3 1 1 7 1833 1 1 8 TRP N N -4.461 1.728 2.039 1.00 . A A . 8 TRP N 1 1 7 1834 1 1 8 TRP NE1 N -1.945 -0.710 5.481 1.00 . A A . 8 TRP NE1 1 1 7 1835 1 1 8 TRP O O -3.516 3.282 0.143 1.00 . A A . 8 TRP O 1 1 7 1836 1 1 9 LYS C C -0.028 2.639 -1.531 1.00 . A A . 9 LYS C 1 1 7 1837 1 1 9 LYS CA C -0.851 3.538 -0.608 1.00 . A A . 9 LYS CA 1 1 7 1838 1 1 9 LYS CB C -0.088 4.765 -0.104 1.00 . A A . 9 LYS CB 1 1 7 1839 1 1 9 LYS CD C 0.419 7.196 -0.546 1.00 . A A . 9 LYS CD 1 1 7 1840 1 1 9 LYS CE C -0.379 8.460 -0.223 1.00 . A A . 9 LYS CE 1 1 7 1841 1 1 9 LYS CG C -0.513 6.025 -0.863 1.00 . A A . 9 LYS CG 1 1 7 1842 1 1 9 LYS H H -0.645 2.276 1.036 1.00 . A A . 9 LYS H 1 1 7 1843 1 1 9 LYS HA H -1.716 3.902 -1.161 1.00 . A A . 9 LYS HA 1 1 7 1844 1 1 9 LYS HB2 H -0.271 4.899 0.962 1.00 . A A . 9 LYS HB2 1 1 7 1845 1 1 9 LYS HB3 H 0.983 4.608 -0.226 1.00 . A A . 9 LYS HB3 1 1 7 1846 1 1 9 LYS HD2 H 1.059 6.938 0.298 1.00 . A A . 9 LYS HD2 1 1 7 1847 1 1 9 LYS HD3 H 1.075 7.383 -1.397 1.00 . A A . 9 LYS HD3 1 1 7 1848 1 1 9 LYS HE2 H -0.602 9.002 -1.141 1.00 . A A . 9 LYS HE2 1 1 7 1849 1 1 9 LYS HE3 H -1.333 8.190 0.228 1.00 . A A . 9 LYS HE3 1 1 7 1850 1 1 9 LYS HG2 H -0.506 5.828 -1.935 1.00 . A A . 9 LYS HG2 1 1 7 1851 1 1 9 LYS HG3 H -1.537 6.287 -0.593 1.00 . A A . 9 LYS HG3 1 1 7 1852 1 1 9 LYS HZ1 H 0.276 8.997 1.637 1.00 . A A . 9 LYS HZ1 1 1 7 1853 1 1 9 LYS HZ2 H 1.351 9.317 0.450 1.00 . A A . 9 LYS HZ2 1 1 7 1854 1 1 9 LYS HZ3 H 0.035 10.267 0.638 1.00 . A A . 9 LYS HZ3 1 1 7 1855 1 1 9 LYS N N -1.348 2.754 0.510 1.00 . A A . 9 LYS N 1 1 7 1856 1 1 9 LYS NZ N 0.382 9.331 0.701 1.00 . A A . 9 LYS NZ 1 1 7 1857 1 1 9 LYS O O 0.035 1.427 -1.330 1.00 . A A . 9 LYS O 1 1 7 1858 1 1 10 LYS C C 2.210 1.470 -2.743 1.00 . A A . 10 LYS C 1 1 7 1859 1 1 10 LYS CA C 1.400 2.537 -3.481 1.00 . A A . 10 LYS CA 1 1 7 1860 1 1 10 LYS CB C 2.258 3.504 -4.300 1.00 . A A . 10 LYS CB 1 1 7 1861 1 1 10 LYS CD C 4.561 3.275 -5.302 1.00 . A A . 10 LYS CD 1 1 7 1862 1 1 10 LYS CE C 5.561 2.141 -5.537 1.00 . A A . 10 LYS CE 1 1 7 1863 1 1 10 LYS CG C 3.124 2.748 -5.309 1.00 . A A . 10 LYS CG 1 1 7 1864 1 1 10 LYS H H 0.527 4.252 -2.683 1.00 . A A . 10 LYS H 1 1 7 1865 1 1 10 LYS HA H 0.724 2.039 -4.176 1.00 . A A . 10 LYS HA 1 1 7 1866 1 1 10 LYS HB2 H 1.616 4.213 -4.824 1.00 . A A . 10 LYS HB2 1 1 7 1867 1 1 10 LYS HB3 H 2.895 4.085 -3.632 1.00 . A A . 10 LYS HB3 1 1 7 1868 1 1 10 LYS HD2 H 4.679 4.034 -6.074 1.00 . A A . 10 LYS HD2 1 1 7 1869 1 1 10 LYS HD3 H 4.771 3.756 -4.346 1.00 . A A . 10 LYS HD3 1 1 7 1870 1 1 10 LYS HE2 H 6.484 2.342 -4.993 1.00 . A A . 10 LYS HE2 1 1 7 1871 1 1 10 LYS HE3 H 5.157 1.205 -5.148 1.00 . A A . 10 LYS HE3 1 1 7 1872 1 1 10 LYS HG2 H 3.121 1.685 -5.072 1.00 . A A . 10 LYS HG2 1 1 7 1873 1 1 10 LYS HG3 H 2.700 2.854 -6.308 1.00 . A A . 10 LYS HG3 1 1 7 1874 1 1 10 LYS HZ1 H 6.692 1.470 -7.102 1.00 . A A . 10 LYS HZ1 1 1 7 1875 1 1 10 LYS HZ2 H 5.094 1.524 -7.430 1.00 . A A . 10 LYS HZ2 1 1 7 1876 1 1 10 LYS HZ3 H 5.966 2.904 -7.389 1.00 . A A . 10 LYS HZ3 1 1 7 1877 1 1 10 LYS N N 0.583 3.267 -2.526 1.00 . A A . 10 LYS N 1 1 7 1878 1 1 10 LYS NZ N 5.851 1.998 -6.982 1.00 . A A . 10 LYS NZ 1 1 7 1879 1 1 10 LYS O O 1.756 0.337 -2.589 1.00 . A A . 10 LYS O 1 1 7 1880 1 1 11 ALA C C 5.514 1.722 -1.118 1.00 . A A . 11 ALA C 1 1 7 1881 1 1 11 ALA CA C 4.273 0.960 -1.589 1.00 . A A . 11 ALA CA 1 1 7 1882 1 1 11 ALA CB C 4.623 -0.228 -2.486 1.00 . A A . 11 ALA CB 1 1 7 1883 1 1 11 ALA H H 3.757 2.792 -2.436 1.00 . A A . 11 ALA H 1 1 7 1884 1 1 11 ALA HA H 3.730 0.593 -0.718 1.00 . A A . 11 ALA HA 1 1 7 1885 1 1 11 ALA HB1 H 3.782 -0.447 -3.143 1.00 . A A . 11 ALA HB1 1 1 7 1886 1 1 11 ALA HB2 H 5.499 0.017 -3.088 1.00 . A A . 11 ALA HB2 1 1 7 1887 1 1 11 ALA HB3 H 4.839 -1.100 -1.869 1.00 . A A . 11 ALA HB3 1 1 7 1888 1 1 11 ALA N N 3.395 1.868 -2.306 1.00 . A A . 11 ALA N 1 1 7 1889 1 1 11 ALA O O 5.674 1.978 0.074 1.00 . A A . 11 ALA O 1 1 7 1890 1 1 12 LYS C C 8.454 1.946 -0.843 1.00 . A A . 12 LYS C 1 1 7 1891 1 1 12 LYS CA C 7.582 2.787 -1.779 1.00 . A A . 12 LYS CA 1 1 7 1892 1 1 12 LYS CB C 7.257 4.178 -1.232 1.00 . A A . 12 LYS CB 1 1 7 1893 1 1 12 LYS CD C 7.806 6.595 -1.698 1.00 . A A . 12 LYS CD 1 1 7 1894 1 1 12 LYS CE C 7.262 7.753 -2.537 1.00 . A A . 12 LYS CE 1 1 7 1895 1 1 12 LYS CG C 7.426 5.246 -2.313 1.00 . A A . 12 LYS CG 1 1 7 1896 1 1 12 LYS H H 6.224 1.847 -3.047 1.00 . A A . 12 LYS H 1 1 7 1897 1 1 12 LYS HA H 8.118 2.927 -2.717 1.00 . A A . 12 LYS HA 1 1 7 1898 1 1 12 LYS HB2 H 6.234 4.195 -0.854 1.00 . A A . 12 LYS HB2 1 1 7 1899 1 1 12 LYS HB3 H 7.910 4.403 -0.388 1.00 . A A . 12 LYS HB3 1 1 7 1900 1 1 12 LYS HD2 H 7.412 6.659 -0.683 1.00 . A A . 12 LYS HD2 1 1 7 1901 1 1 12 LYS HD3 H 8.890 6.673 -1.625 1.00 . A A . 12 LYS HD3 1 1 7 1902 1 1 12 LYS HE2 H 6.420 7.409 -3.138 1.00 . A A . 12 LYS HE2 1 1 7 1903 1 1 12 LYS HE3 H 6.885 8.539 -1.882 1.00 . A A . 12 LYS HE3 1 1 7 1904 1 1 12 LYS HG2 H 8.197 4.935 -3.019 1.00 . A A . 12 LYS HG2 1 1 7 1905 1 1 12 LYS HG3 H 6.500 5.348 -2.877 1.00 . A A . 12 LYS HG3 1 1 7 1906 1 1 12 LYS HZ1 H 8.909 8.909 -2.889 1.00 . A A . 12 LYS HZ1 1 1 7 1907 1 1 12 LYS HZ2 H 8.863 7.546 -3.788 1.00 . A A . 12 LYS HZ2 1 1 7 1908 1 1 12 LYS HZ3 H 7.897 8.807 -4.168 1.00 . A A . 12 LYS HZ3 1 1 7 1909 1 1 12 LYS N N 6.360 2.060 -2.080 1.00 . A A . 12 LYS N 1 1 7 1910 1 1 12 LYS NZ N 8.319 8.298 -3.417 1.00 . A A . 12 LYS NZ 1 1 7 1911 1 1 12 LYS O O 8.068 1.512 0.243 1.00 . A A . 12 LYS O 1 1 7 1912 1 1 13 DPR C C 10.485 -0.466 -0.106 1.00 . A A . 13 DPR C 1 1 7 1913 1 1 13 DPR CA C 10.752 1.045 -0.447 1.00 . A A . 13 DPR CA 1 1 7 1914 1 1 13 DPR CB C 12.014 1.318 -1.296 1.00 . A A . 13 DPR CB 1 1 7 1915 1 1 13 DPR CD C 10.145 1.943 -2.689 1.00 . A A . 13 DPR CD 1 1 7 1916 1 1 13 DPR CG C 11.528 1.293 -2.749 1.00 . A A . 13 DPR CG 1 1 7 1917 1 1 13 DPR HA H 10.869 1.587 0.513 1.00 . A A . 13 DPR HA 1 1 7 1918 1 1 13 DPR HB2 H 12.826 0.590 -1.108 1.00 . A A . 13 DPR HB2 1 1 7 1919 1 1 13 DPR HB3 H 12.428 2.315 -1.050 1.00 . A A . 13 DPR HB3 1 1 7 1920 1 1 13 DPR HD2 H 9.453 1.495 -3.428 1.00 . A A . 13 DPR HD2 1 1 7 1921 1 1 13 DPR HD3 H 10.211 3.028 -2.898 1.00 . A A . 13 DPR HD3 1 1 7 1922 1 1 13 DPR HG2 H 12.216 1.811 -3.442 1.00 . A A . 13 DPR HG2 1 1 7 1923 1 1 13 DPR HG3 H 11.441 0.245 -3.097 1.00 . A A . 13 DPR HG3 1 1 7 1924 1 1 13 DPR N N 9.712 1.700 -1.296 1.00 . A A . 13 DPR N 1 1 7 1925 1 1 13 DPR O O 10.485 -1.341 -0.972 1.00 . A A . 13 DPR O 1 1 7 1926 1 1 14 PRO C C 9.030 -3.053 1.144 1.00 . A A . 14 PRO C 1 1 7 1927 1 1 14 PRO CA C 10.202 -2.162 1.680 1.00 . A A . 14 PRO CA 1 1 7 1928 1 1 14 PRO CB C 10.200 -1.938 3.209 1.00 . A A . 14 PRO CB 1 1 7 1929 1 1 14 PRO CD C 10.105 0.275 2.228 1.00 . A A . 14 PRO CD 1 1 7 1930 1 1 14 PRO CG C 9.613 -0.537 3.427 1.00 . A A . 14 PRO CG 1 1 7 1931 1 1 14 PRO HA H 11.136 -2.697 1.418 1.00 . A A . 14 PRO HA 1 1 7 1932 1 1 14 PRO HB2 H 9.649 -2.720 3.767 1.00 . A A . 14 PRO HB2 1 1 7 1933 1 1 14 PRO HB3 H 11.240 -1.969 3.590 1.00 . A A . 14 PRO HB3 1 1 7 1934 1 1 14 PRO HD2 H 9.384 1.060 1.923 1.00 . A A . 14 PRO HD2 1 1 7 1935 1 1 14 PRO HD3 H 11.071 0.774 2.439 1.00 . A A . 14 PRO HD3 1 1 7 1936 1 1 14 PRO HG2 H 8.506 -0.580 3.429 1.00 . A A . 14 PRO HG2 1 1 7 1937 1 1 14 PRO HG3 H 9.917 -0.090 4.392 1.00 . A A . 14 PRO HG3 1 1 7 1938 1 1 14 PRO N N 10.280 -0.760 1.194 1.00 . A A . 14 PRO N 1 1 7 1939 1 1 14 PRO O O 9.192 -3.810 0.192 1.00 . A A . 14 PRO O 1 1 8 1940 1 1 1 THR C C 5.675 -2.878 -0.188 1.00 . A A . 1 THR C 1 1 8 1941 1 1 1 THR CA C 7.057 -3.322 -0.671 1.00 . A A . 1 THR CA 1 1 8 1942 1 1 1 THR CB C 7.210 -4.842 -0.758 1.00 . A A . 1 THR CB 1 1 8 1943 1 1 1 THR CG2 C 5.889 -5.547 -1.069 1.00 . A A . 1 THR CG2 1 1 8 1944 1 1 1 THR H1 H 8.360 -3.439 0.950 1.00 . A A . 1 THR H1 1 1 8 1945 1 1 1 THR HA H 7.206 -2.885 -1.659 1.00 . A A . 1 THR HA 1 1 8 1946 1 1 1 THR HB H 7.660 -5.240 0.151 1.00 . A A . 1 THR HB 1 1 8 1947 1 1 1 THR HG1 H 8.952 -5.193 -1.680 1.00 . A A . 1 THR HG1 1 1 8 1948 1 1 1 THR HG21 H 6.079 -6.421 -1.691 1.00 . A A . 1 THR HG21 1 1 8 1949 1 1 1 THR HG22 H 5.417 -5.861 -0.137 1.00 . A A . 1 THR HG22 1 1 8 1950 1 1 1 THR HG23 H 5.226 -4.862 -1.599 1.00 . A A . 1 THR HG23 1 1 8 1951 1 1 1 THR N N 8.091 -2.817 0.215 1.00 . A A . 1 THR N 1 1 8 1952 1 1 1 THR O O 5.383 -2.936 1.006 1.00 . A A . 1 THR O 1 1 8 1953 1 1 1 THR OG1 O 7.996 -5.045 -1.930 1.00 . A A . 1 THR OG1 1 1 8 1954 1 1 2 TRP C C 2.582 -3.195 -0.895 1.00 . A A . 2 TRP C 1 1 8 1955 1 1 2 TRP CA C 3.519 -1.988 -0.825 1.00 . A A . 2 TRP CA 1 1 8 1956 1 1 2 TRP CB C 3.094 -0.848 -1.754 1.00 . A A . 2 TRP CB 1 1 8 1957 1 1 2 TRP CD1 C 5.253 -0.312 -3.064 1.00 . A A . 2 TRP CD1 1 1 8 1958 1 1 2 TRP CD2 C 3.577 -0.955 -4.363 1.00 . A A . 2 TRP CD2 1 1 8 1959 1 1 2 TRP CE2 C 4.659 -0.702 -5.180 1.00 . A A . 2 TRP CE2 1 1 8 1960 1 1 2 TRP CE3 C 2.347 -1.386 -4.889 1.00 . A A . 2 TRP CE3 1 1 8 1961 1 1 2 TRP CG C 3.971 -0.700 -2.998 1.00 . A A . 2 TRP CG 1 1 8 1962 1 1 2 TRP CH2 C 3.404 -1.279 -7.118 1.00 . A A . 2 TRP CH2 1 1 8 1963 1 1 2 TRP CZ2 C 4.620 -0.851 -6.572 1.00 . A A . 2 TRP CZ2 1 1 8 1964 1 1 2 TRP CZ3 C 2.323 -1.530 -6.281 1.00 . A A . 2 TRP CZ3 1 1 8 1965 1 1 2 TRP H H 5.108 -2.397 -2.108 1.00 . A A . 2 TRP H 1 1 8 1966 1 1 2 TRP HA H 3.532 -1.584 0.188 1.00 . A A . 2 TRP HA 1 1 8 1967 1 1 2 TRP HB2 H 2.063 -1.012 -2.065 1.00 . A A . 2 TRP HB2 1 1 8 1968 1 1 2 TRP HB3 H 3.114 0.088 -1.195 1.00 . A A . 2 TRP HB3 1 1 8 1969 1 1 2 TRP HD1 H 5.856 -0.041 -2.198 1.00 . A A . 2 TRP HD1 1 1 8 1970 1 1 2 TRP HE1 H 6.713 -0.022 -4.694 1.00 . A A . 2 TRP HE1 1 1 8 1971 1 1 2 TRP HE3 H 1.477 -1.593 -4.265 1.00 . A A . 2 TRP HE3 1 1 8 1972 1 1 2 TRP HH2 H 3.306 -1.415 -8.196 1.00 . A A . 2 TRP HH2 1 1 8 1973 1 1 2 TRP HZ2 H 5.489 -0.644 -7.196 1.00 . A A . 2 TRP HZ2 1 1 8 1974 1 1 2 TRP HZ3 H 1.393 -1.861 -6.741 1.00 . A A . 2 TRP HZ3 1 1 8 1975 1 1 2 TRP N N 4.862 -2.443 -1.140 1.00 . A A . 2 TRP N 1 1 8 1976 1 1 2 TRP NE1 N 5.711 -0.298 -4.366 1.00 . A A . 2 TRP NE1 1 1 8 1977 1 1 2 TRP O O 2.711 -4.034 -1.786 1.00 . A A . 2 TRP O 1 1 8 1978 1 1 3 LEU C C -0.556 -3.946 -0.662 1.00 . A A . 3 LEU C 1 1 8 1979 1 1 3 LEU CA C 0.704 -4.338 0.113 1.00 . A A . 3 LEU CA 1 1 8 1980 1 1 3 LEU CB C 0.434 -4.738 1.565 1.00 . A A . 3 LEU CB 1 1 8 1981 1 1 3 LEU CD1 C 0.271 -6.936 2.789 1.00 . A A . 3 LEU CD1 1 1 8 1982 1 1 3 LEU CD2 C -1.834 -5.674 2.149 1.00 . A A . 3 LEU CD2 1 1 8 1983 1 1 3 LEU CG C -0.391 -6.010 1.767 1.00 . A A . 3 LEU CG 1 1 8 1984 1 1 3 LEU H H 1.563 -2.560 0.777 1.00 . A A . 3 LEU H 1 1 8 1985 1 1 3 LEU HA H 1.158 -5.197 -0.379 1.00 . A A . 3 LEU HA 1 1 8 1986 1 1 3 LEU HB2 H 1.390 -4.865 2.070 1.00 . A A . 3 LEU HB2 1 1 8 1987 1 1 3 LEU HB3 H -0.081 -3.913 2.058 1.00 . A A . 3 LEU HB3 1 1 8 1988 1 1 3 LEU HD11 H 0.628 -6.348 3.635 1.00 . A A . 3 LEU HD11 1 1 8 1989 1 1 3 LEU HD12 H -0.454 -7.670 3.139 1.00 . A A . 3 LEU HD12 1 1 8 1990 1 1 3 LEU HD13 H 1.112 -7.450 2.323 1.00 . A A . 3 LEU HD13 1 1 8 1991 1 1 3 LEU HD21 H -1.847 -5.181 3.121 1.00 . A A . 3 LEU HD21 1 1 8 1992 1 1 3 LEU HD22 H -2.263 -5.010 1.399 1.00 . A A . 3 LEU HD22 1 1 8 1993 1 1 3 LEU HD23 H -2.421 -6.592 2.199 1.00 . A A . 3 LEU HD23 1 1 8 1994 1 1 3 LEU HG H -0.426 -6.549 0.820 1.00 . A A . 3 LEU HG 1 1 8 1995 1 1 3 LEU N N 1.661 -3.246 0.056 1.00 . A A . 3 LEU N 1 1 8 1996 1 1 3 LEU O O -1.097 -4.749 -1.422 1.00 . A A . 3 LEU O 1 1 8 1997 1 1 4 LYS C C -3.410 -2.919 -0.559 1.00 . A A . 4 LYS C 1 1 8 1998 1 1 4 LYS CA C -2.174 -2.205 -1.110 1.00 . A A . 4 LYS CA 1 1 8 1999 1 1 4 LYS CB C -2.024 -2.319 -2.629 1.00 . A A . 4 LYS CB 1 1 8 2000 1 1 4 LYS CD C -3.867 -2.400 -4.348 1.00 . A A . 4 LYS CD 1 1 8 2001 1 1 4 LYS CE C -4.077 -1.667 -5.674 1.00 . A A . 4 LYS CE 1 1 8 2002 1 1 4 LYS CG C -3.112 -1.521 -3.349 1.00 . A A . 4 LYS CG 1 1 8 2003 1 1 4 LYS H H -0.543 -2.067 0.177 1.00 . A A . 4 LYS H 1 1 8 2004 1 1 4 LYS HA H -2.254 -1.144 -0.873 1.00 . A A . 4 LYS HA 1 1 8 2005 1 1 4 LYS HB2 H -1.042 -1.955 -2.930 1.00 . A A . 4 LYS HB2 1 1 8 2006 1 1 4 LYS HB3 H -2.080 -3.367 -2.926 1.00 . A A . 4 LYS HB3 1 1 8 2007 1 1 4 LYS HD2 H -3.310 -3.320 -4.522 1.00 . A A . 4 LYS HD2 1 1 8 2008 1 1 4 LYS HD3 H -4.832 -2.686 -3.930 1.00 . A A . 4 LYS HD3 1 1 8 2009 1 1 4 LYS HE2 H -5.032 -1.959 -6.111 1.00 . A A . 4 LYS HE2 1 1 8 2010 1 1 4 LYS HE3 H -4.123 -0.592 -5.499 1.00 . A A . 4 LYS HE3 1 1 8 2011 1 1 4 LYS HG2 H -3.811 -1.111 -2.619 1.00 . A A . 4 LYS HG2 1 1 8 2012 1 1 4 LYS HG3 H -2.663 -0.675 -3.870 1.00 . A A . 4 LYS HG3 1 1 8 2013 1 1 4 LYS HZ1 H -2.133 -2.128 -6.104 1.00 . A A . 4 LYS HZ1 1 1 8 2014 1 1 4 LYS HZ2 H -3.205 -2.798 -7.137 1.00 . A A . 4 LYS HZ2 1 1 8 2015 1 1 4 LYS HZ3 H -2.852 -1.207 -7.245 1.00 . A A . 4 LYS HZ3 1 1 8 2016 1 1 4 LYS N N -0.988 -2.712 -0.442 1.00 . A A . 4 LYS N 1 1 8 2017 1 1 4 LYS NZ N -2.978 -1.975 -6.616 1.00 . A A . 4 LYS NZ 1 1 8 2018 1 1 4 LYS O O -3.431 -4.145 -0.463 1.00 . A A . 4 LYS O 1 1 8 2019 1 1 5 LYS C C -6.713 -1.567 0.340 1.00 . A A . 5 LYS C 1 1 8 2020 1 1 5 LYS CA C -5.646 -2.663 0.326 1.00 . A A . 5 LYS CA 1 1 8 2021 1 1 5 LYS CB C -5.400 -3.300 1.696 1.00 . A A . 5 LYS CB 1 1 8 2022 1 1 5 LYS CD C -6.308 -5.646 1.520 1.00 . A A . 5 LYS CD 1 1 8 2023 1 1 5 LYS CE C -7.601 -6.464 1.526 1.00 . A A . 5 LYS CE 1 1 8 2024 1 1 5 LYS CG C -6.545 -4.241 2.075 1.00 . A A . 5 LYS CG 1 1 8 2025 1 1 5 LYS H H -4.385 -1.126 -0.295 1.00 . A A . 5 LYS H 1 1 8 2026 1 1 5 LYS HA H -5.975 -3.457 -0.344 1.00 . A A . 5 LYS HA 1 1 8 2027 1 1 5 LYS HB2 H -4.460 -3.852 1.681 1.00 . A A . 5 LYS HB2 1 1 8 2028 1 1 5 LYS HB3 H -5.299 -2.520 2.450 1.00 . A A . 5 LYS HB3 1 1 8 2029 1 1 5 LYS HD2 H -5.921 -5.579 0.503 1.00 . A A . 5 LYS HD2 1 1 8 2030 1 1 5 LYS HD3 H -5.550 -6.154 2.116 1.00 . A A . 5 LYS HD3 1 1 8 2031 1 1 5 LYS HE2 H -8.341 -5.980 2.164 1.00 . A A . 5 LYS HE2 1 1 8 2032 1 1 5 LYS HE3 H -8.021 -6.499 0.521 1.00 . A A . 5 LYS HE3 1 1 8 2033 1 1 5 LYS HG2 H -6.638 -4.286 3.160 1.00 . A A . 5 LYS HG2 1 1 8 2034 1 1 5 LYS HG3 H -7.486 -3.848 1.692 1.00 . A A . 5 LYS HG3 1 1 8 2035 1 1 5 LYS HZ1 H -6.409 -7.898 2.362 1.00 . A A . 5 LYS HZ1 1 1 8 2036 1 1 5 LYS HZ2 H -7.989 -8.061 2.741 1.00 . A A . 5 LYS HZ2 1 1 8 2037 1 1 5 LYS HZ3 H -7.457 -8.484 1.256 1.00 . A A . 5 LYS HZ3 1 1 8 2038 1 1 5 LYS N N -4.409 -2.122 -0.213 1.00 . A A . 5 LYS N 1 1 8 2039 1 1 5 LYS NZ N -7.343 -7.839 2.011 1.00 . A A . 5 LYS NZ 1 1 8 2040 1 1 5 LYS O O -7.845 -1.792 -0.085 1.00 . A A . 5 LYS O 1 1 8 2041 1 1 6 ARG C C -6.490 1.964 1.431 1.00 . A A . 6 ARG C 1 1 8 2042 1 1 6 ARG CA C -7.224 0.727 0.911 1.00 . A A . 6 ARG CA 1 1 8 2043 1 1 6 ARG CB C -8.409 0.422 1.829 1.00 . A A . 6 ARG CB 1 1 8 2044 1 1 6 ARG CD C -10.665 0.181 0.728 1.00 . A A . 6 ARG CD 1 1 8 2045 1 1 6 ARG CG C -9.668 1.154 1.362 1.00 . A A . 6 ARG CG 1 1 8 2046 1 1 6 ARG CZ C -12.273 -1.540 1.540 1.00 . A A . 6 ARG CZ 1 1 8 2047 1 1 6 ARG H H -5.393 -0.230 1.180 1.00 . A A . 6 ARG H 1 1 8 2048 1 1 6 ARG HA H -7.568 0.878 -0.113 1.00 . A A . 6 ARG HA 1 1 8 2049 1 1 6 ARG HB2 H -8.593 -0.653 1.846 1.00 . A A . 6 ARG HB2 1 1 8 2050 1 1 6 ARG HB3 H -8.168 0.720 2.851 1.00 . A A . 6 ARG HB3 1 1 8 2051 1 1 6 ARG HD2 H -11.414 0.734 0.161 1.00 . A A . 6 ARG HD2 1 1 8 2052 1 1 6 ARG HD3 H -10.150 -0.471 0.022 1.00 . A A . 6 ARG HD3 1 1 8 2053 1 1 6 ARG HE H -11.036 -0.484 2.727 1.00 . A A . 6 ARG HE 1 1 8 2054 1 1 6 ARG HG2 H -10.135 1.659 2.208 1.00 . A A . 6 ARG HG2 1 1 8 2055 1 1 6 ARG HG3 H -9.397 1.925 0.641 1.00 . A A . 6 ARG HG3 1 1 8 2056 1 1 6 ARG HH11 H -12.282 -1.253 -0.473 1.00 . A A . 6 ARG HH11 1 1 8 2057 1 1 6 ARG HH12 H -13.395 -2.446 0.107 1.00 . A A . 6 ARG HH12 1 1 8 2058 1 1 6 ARG HH21 H -12.504 -2.059 3.493 1.00 . A A . 6 ARG HH21 1 1 8 2059 1 1 6 ARG HH22 H -13.522 -2.909 2.378 1.00 . A A . 6 ARG HH22 1 1 8 2060 1 1 6 ARG N N -6.315 -0.404 0.835 1.00 . A A . 6 ARG N 1 1 8 2061 1 1 6 ARG NE N -11.320 -0.627 1.779 1.00 . A A . 6 ARG NE 1 1 8 2062 1 1 6 ARG NH1 N -12.685 -1.766 0.285 1.00 . A A . 6 ARG NH1 1 1 8 2063 1 1 6 ARG NH2 N -12.811 -2.228 2.556 1.00 . A A . 6 ARG NH2 1 1 8 2064 1 1 6 ARG O O -7.019 2.703 2.259 1.00 . A A . 6 ARG O 1 1 8 2065 1 1 7 ARG C C -2.983 2.974 1.128 1.00 . A A . 7 ARG C 1 1 8 2066 1 1 7 ARG CA C -4.467 3.286 1.329 1.00 . A A . 7 ARG CA 1 1 8 2067 1 1 7 ARG CB C -4.710 3.644 2.796 1.00 . A A . 7 ARG CB 1 1 8 2068 1 1 7 ARG CD C -6.493 4.730 4.211 1.00 . A A . 7 ARG CD 1 1 8 2069 1 1 7 ARG CG C -5.681 4.822 2.919 1.00 . A A . 7 ARG CG 1 1 8 2070 1 1 7 ARG CZ C -8.688 5.628 4.977 1.00 . A A . 7 ARG CZ 1 1 8 2071 1 1 7 ARG H H -4.855 1.546 0.252 1.00 . A A . 7 ARG H 1 1 8 2072 1 1 7 ARG HA H -4.787 4.103 0.682 1.00 . A A . 7 ARG HA 1 1 8 2073 1 1 7 ARG HB2 H -5.114 2.780 3.323 1.00 . A A . 7 ARG HB2 1 1 8 2074 1 1 7 ARG HB3 H -3.764 3.896 3.275 1.00 . A A . 7 ARG HB3 1 1 8 2075 1 1 7 ARG HD2 H -6.550 3.693 4.542 1.00 . A A . 7 ARG HD2 1 1 8 2076 1 1 7 ARG HD3 H -5.996 5.291 5.003 1.00 . A A . 7 ARG HD3 1 1 8 2077 1 1 7 ARG HE H -8.175 5.362 3.049 1.00 . A A . 7 ARG HE 1 1 8 2078 1 1 7 ARG HG2 H -5.124 5.759 2.900 1.00 . A A . 7 ARG HG2 1 1 8 2079 1 1 7 ARG HG3 H -6.353 4.834 2.062 1.00 . A A . 7 ARG HG3 1 1 8 2080 1 1 7 ARG HH11 H -7.394 5.161 6.474 1.00 . A A . 7 ARG HH11 1 1 8 2081 1 1 7 ARG HH12 H -8.924 5.787 6.990 1.00 . A A . 7 ARG HH12 1 1 8 2082 1 1 7 ARG HH21 H -10.194 6.188 3.730 1.00 . A A . 7 ARG HH21 1 1 8 2083 1 1 7 ARG HH22 H -10.528 6.375 5.420 1.00 . A A . 7 ARG HH22 1 1 8 2084 1 1 7 ARG N N -5.279 2.151 0.925 1.00 . A A . 7 ARG N 1 1 8 2085 1 1 7 ARG NE N -7.855 5.265 3.992 1.00 . A A . 7 ARG NE 1 1 8 2086 1 1 7 ARG NH1 N -8.303 5.516 6.256 1.00 . A A . 7 ARG NH1 1 1 8 2087 1 1 7 ARG NH2 N -9.906 6.104 4.684 1.00 . A A . 7 ARG NH2 1 1 8 2088 1 1 7 ARG O O -2.160 3.884 1.031 1.00 . A A . 7 ARG O 1 1 8 2089 1 1 8 TRP C C -1.044 1.157 -0.620 1.00 . A A . 8 TRP C 1 1 8 2090 1 1 8 TRP CA C -1.312 1.241 0.884 1.00 . A A . 8 TRP CA 1 1 8 2091 1 1 8 TRP CB C -1.060 -0.082 1.611 1.00 . A A . 8 TRP CB 1 1 8 2092 1 1 8 TRP CD1 C -0.204 0.501 3.975 1.00 . A A . 8 TRP CD1 1 1 8 2093 1 1 8 TRP CD2 C -2.236 -0.383 3.973 1.00 . A A . 8 TRP CD2 1 1 8 2094 1 1 8 TRP CE2 C -1.901 -0.121 5.286 1.00 . A A . 8 TRP CE2 1 1 8 2095 1 1 8 TRP CE3 C -3.475 -0.953 3.633 1.00 . A A . 8 TRP CE3 1 1 8 2096 1 1 8 TRP CG C -1.132 0.022 3.135 1.00 . A A . 8 TRP CG 1 1 8 2097 1 1 8 TRP CH2 C -3.992 -0.962 6.049 1.00 . A A . 8 TRP CH2 1 1 8 2098 1 1 8 TRP CZ2 C -2.751 -0.395 6.364 1.00 . A A . 8 TRP CZ2 1 1 8 2099 1 1 8 TRP CZ3 C -4.314 -1.221 4.722 1.00 . A A . 8 TRP CZ3 1 1 8 2100 1 1 8 TRP H H -3.358 0.950 1.151 1.00 . A A . 8 TRP H 1 1 8 2101 1 1 8 TRP HA H -0.657 1.983 1.338 1.00 . A A . 8 TRP HA 1 1 8 2102 1 1 8 TRP HB2 H -1.791 -0.817 1.272 1.00 . A A . 8 TRP HB2 1 1 8 2103 1 1 8 TRP HB3 H -0.076 -0.458 1.328 1.00 . A A . 8 TRP HB3 1 1 8 2104 1 1 8 TRP HD1 H 0.763 0.894 3.660 1.00 . A A . 8 TRP HD1 1 1 8 2105 1 1 8 TRP HE1 H -0.064 0.757 6.163 1.00 . A A . 8 TRP HE1 1 1 8 2106 1 1 8 TRP HE3 H -3.763 -1.170 2.604 1.00 . A A . 8 TRP HE3 1 1 8 2107 1 1 8 TRP HH2 H -4.701 -1.200 6.841 1.00 . A A . 8 TRP HH2 1 1 8 2108 1 1 8 TRP HZ2 H -2.463 -0.177 7.392 1.00 . A A . 8 TRP HZ2 1 1 8 2109 1 1 8 TRP HZ3 H -5.288 -1.663 4.514 1.00 . A A . 8 TRP HZ3 1 1 8 2110 1 1 8 TRP N N -2.684 1.684 1.072 1.00 . A A . 8 TRP N 1 1 8 2111 1 1 8 TRP NE1 N -0.626 0.435 5.287 1.00 . A A . 8 TRP NE1 1 1 8 2112 1 1 8 TRP O O -0.507 0.161 -1.104 1.00 . A A . 8 TRP O 1 1 8 2113 1 1 9 LYS C C -0.386 3.495 -3.103 1.00 . A A . 9 LYS C 1 1 8 2114 1 1 9 LYS CA C -1.239 2.273 -2.756 1.00 . A A . 9 LYS CA 1 1 8 2115 1 1 9 LYS CB C -2.588 2.240 -3.479 1.00 . A A . 9 LYS CB 1 1 8 2116 1 1 9 LYS CD C -3.326 3.094 -5.734 1.00 . A A . 9 LYS CD 1 1 8 2117 1 1 9 LYS CE C -4.248 2.337 -6.693 1.00 . A A . 9 LYS CE 1 1 8 2118 1 1 9 LYS CG C -2.396 2.132 -4.993 1.00 . A A . 9 LYS CG 1 1 8 2119 1 1 9 LYS H H -1.868 3.020 -0.916 1.00 . A A . 9 LYS H 1 1 8 2120 1 1 9 LYS HA H -0.694 1.377 -3.050 1.00 . A A . 9 LYS HA 1 1 8 2121 1 1 9 LYS HB2 H -3.175 1.394 -3.122 1.00 . A A . 9 LYS HB2 1 1 8 2122 1 1 9 LYS HB3 H -3.152 3.142 -3.244 1.00 . A A . 9 LYS HB3 1 1 8 2123 1 1 9 LYS HD2 H -3.925 3.653 -5.014 1.00 . A A . 9 LYS HD2 1 1 8 2124 1 1 9 LYS HD3 H -2.736 3.822 -6.290 1.00 . A A . 9 LYS HD3 1 1 8 2125 1 1 9 LYS HE2 H -4.395 2.921 -7.602 1.00 . A A . 9 LYS HE2 1 1 8 2126 1 1 9 LYS HE3 H -3.781 1.398 -6.990 1.00 . A A . 9 LYS HE3 1 1 8 2127 1 1 9 LYS HG2 H -1.360 2.353 -5.249 1.00 . A A . 9 LYS HG2 1 1 8 2128 1 1 9 LYS HG3 H -2.592 1.109 -5.316 1.00 . A A . 9 LYS HG3 1 1 8 2129 1 1 9 LYS HZ1 H -6.119 2.892 -6.086 1.00 . A A . 9 LYS HZ1 1 1 8 2130 1 1 9 LYS HZ2 H -6.017 1.326 -6.539 1.00 . A A . 9 LYS HZ2 1 1 8 2131 1 1 9 LYS HZ3 H -5.409 1.802 -5.099 1.00 . A A . 9 LYS HZ3 1 1 8 2132 1 1 9 LYS N N -1.431 2.215 -1.317 1.00 . A A . 9 LYS N 1 1 8 2133 1 1 9 LYS NZ N -5.553 2.067 -6.052 1.00 . A A . 9 LYS NZ 1 1 8 2134 1 1 9 LYS O O -0.568 4.105 -4.157 1.00 . A A . 9 LYS O 1 1 8 2135 1 1 10 LYS C C 2.862 4.496 -2.260 1.00 . A A . 10 LYS C 1 1 8 2136 1 1 10 LYS CA C 1.409 4.954 -2.395 1.00 . A A . 10 LYS CA 1 1 8 2137 1 1 10 LYS CB C 1.032 6.094 -1.448 1.00 . A A . 10 LYS CB 1 1 8 2138 1 1 10 LYS CD C 2.028 8.349 -0.917 1.00 . A A . 10 LYS CD 1 1 8 2139 1 1 10 LYS CE C 2.697 9.590 -1.514 1.00 . A A . 10 LYS CE 1 1 8 2140 1 1 10 LYS CG C 1.466 7.446 -2.017 1.00 . A A . 10 LYS CG 1 1 8 2141 1 1 10 LYS H H 0.668 3.314 -1.345 1.00 . A A . 10 LYS H 1 1 8 2142 1 1 10 LYS HA H 1.254 5.315 -3.412 1.00 . A A . 10 LYS HA 1 1 8 2143 1 1 10 LYS HB2 H -0.046 6.094 -1.282 1.00 . A A . 10 LYS HB2 1 1 8 2144 1 1 10 LYS HB3 H 1.502 5.936 -0.478 1.00 . A A . 10 LYS HB3 1 1 8 2145 1 1 10 LYS HD2 H 1.226 8.652 -0.245 1.00 . A A . 10 LYS HD2 1 1 8 2146 1 1 10 LYS HD3 H 2.752 7.794 -0.320 1.00 . A A . 10 LYS HD3 1 1 8 2147 1 1 10 LYS HE2 H 3.369 9.295 -2.321 1.00 . A A . 10 LYS HE2 1 1 8 2148 1 1 10 LYS HE3 H 1.942 10.242 -1.951 1.00 . A A . 10 LYS HE3 1 1 8 2149 1 1 10 LYS HG2 H 2.221 7.294 -2.789 1.00 . A A . 10 LYS HG2 1 1 8 2150 1 1 10 LYS HG3 H 0.616 7.934 -2.494 1.00 . A A . 10 LYS HG3 1 1 8 2151 1 1 10 LYS HZ1 H 4.366 10.542 -0.818 1.00 . A A . 10 LYS HZ1 1 1 8 2152 1 1 10 LYS HZ2 H 2.971 11.166 -0.244 1.00 . A A . 10 LYS HZ2 1 1 8 2153 1 1 10 LYS HZ3 H 3.534 9.751 0.343 1.00 . A A . 10 LYS HZ3 1 1 8 2154 1 1 10 LYS N N 0.527 3.816 -2.198 1.00 . A A . 10 LYS N 1 1 8 2155 1 1 10 LYS NZ N 3.453 10.322 -0.474 1.00 . A A . 10 LYS NZ 1 1 8 2156 1 1 10 LYS O O 3.773 5.320 -2.197 1.00 . A A . 10 LYS O 1 1 8 2157 1 1 11 ALA C C 5.020 3.127 -0.812 1.00 . A A . 11 ALA C 1 1 8 2158 1 1 11 ALA CA C 4.362 2.606 -2.092 1.00 . A A . 11 ALA CA 1 1 8 2159 1 1 11 ALA CB C 5.182 2.931 -3.342 1.00 . A A . 11 ALA CB 1 1 8 2160 1 1 11 ALA H H 2.288 2.519 -2.271 1.00 . A A . 11 ALA H 1 1 8 2161 1 1 11 ALA HA H 4.249 1.524 -2.017 1.00 . A A . 11 ALA HA 1 1 8 2162 1 1 11 ALA HB1 H 4.510 3.192 -4.160 1.00 . A A . 11 ALA HB1 1 1 8 2163 1 1 11 ALA HB2 H 5.846 3.770 -3.134 1.00 . A A . 11 ALA HB2 1 1 8 2164 1 1 11 ALA HB3 H 5.775 2.060 -3.624 1.00 . A A . 11 ALA HB3 1 1 8 2165 1 1 11 ALA N N 3.034 3.183 -2.218 1.00 . A A . 11 ALA N 1 1 8 2166 1 1 11 ALA O O 5.366 4.304 -0.724 1.00 . A A . 11 ALA O 1 1 8 2167 1 1 12 LYS C C 7.004 1.691 1.656 1.00 . A A . 12 LYS C 1 1 8 2168 1 1 12 LYS CA C 5.782 2.579 1.417 1.00 . A A . 12 LYS CA 1 1 8 2169 1 1 12 LYS CB C 4.748 2.519 2.543 1.00 . A A . 12 LYS CB 1 1 8 2170 1 1 12 LYS CD C 4.520 4.367 4.245 1.00 . A A . 12 LYS CD 1 1 8 2171 1 1 12 LYS CE C 5.443 5.419 4.862 1.00 . A A . 12 LYS CE 1 1 8 2172 1 1 12 LYS CG C 5.307 3.120 3.834 1.00 . A A . 12 LYS CG 1 1 8 2173 1 1 12 LYS H H 4.887 1.270 0.066 1.00 . A A . 12 LYS H 1 1 8 2174 1 1 12 LYS HA H 6.116 3.614 1.341 1.00 . A A . 12 LYS HA 1 1 8 2175 1 1 12 LYS HB2 H 3.849 3.059 2.246 1.00 . A A . 12 LYS HB2 1 1 8 2176 1 1 12 LYS HB3 H 4.454 1.484 2.717 1.00 . A A . 12 LYS HB3 1 1 8 2177 1 1 12 LYS HD2 H 4.016 4.786 3.374 1.00 . A A . 12 LYS HD2 1 1 8 2178 1 1 12 LYS HD3 H 3.745 4.092 4.960 1.00 . A A . 12 LYS HD3 1 1 8 2179 1 1 12 LYS HE2 H 6.166 4.937 5.520 1.00 . A A . 12 LYS HE2 1 1 8 2180 1 1 12 LYS HE3 H 6.010 5.920 4.077 1.00 . A A . 12 LYS HE3 1 1 8 2181 1 1 12 LYS HG2 H 5.265 2.379 4.632 1.00 . A A . 12 LYS HG2 1 1 8 2182 1 1 12 LYS HG3 H 6.357 3.378 3.694 1.00 . A A . 12 LYS HG3 1 1 8 2183 1 1 12 LYS HZ1 H 5.085 7.314 5.539 1.00 . A A . 12 LYS HZ1 1 1 8 2184 1 1 12 LYS HZ2 H 3.725 6.451 5.263 1.00 . A A . 12 LYS HZ2 1 1 8 2185 1 1 12 LYS HZ3 H 4.629 6.149 6.589 1.00 . A A . 12 LYS HZ3 1 1 8 2186 1 1 12 LYS N N 5.172 2.225 0.147 1.00 . A A . 12 LYS N 1 1 8 2187 1 1 12 LYS NZ N 4.657 6.414 5.626 1.00 . A A . 12 LYS NZ 1 1 8 2188 1 1 12 LYS O O 6.960 0.615 2.253 1.00 . A A . 12 LYS O 1 1 8 2189 1 1 13 DPR C C 9.728 0.148 0.727 1.00 . A A . 13 DPR C 1 1 8 2190 1 1 13 DPR CA C 9.490 1.529 1.440 1.00 . A A . 13 DPR CA 1 1 8 2191 1 1 13 DPR CB C 10.449 2.664 1.021 1.00 . A A . 13 DPR CB 1 1 8 2192 1 1 13 DPR CD C 8.264 3.346 0.259 1.00 . A A . 13 DPR CD 1 1 8 2193 1 1 13 DPR CG C 9.741 3.376 -0.135 1.00 . A A . 13 DPR CG 1 1 8 2194 1 1 13 DPR HA H 9.617 1.366 2.530 1.00 . A A . 13 DPR HA 1 1 8 2195 1 1 13 DPR HB2 H 11.456 2.298 0.739 1.00 . A A . 13 DPR HB2 1 1 8 2196 1 1 13 DPR HB3 H 10.600 3.364 1.866 1.00 . A A . 13 DPR HB3 1 1 8 2197 1 1 13 DPR HD2 H 7.607 3.250 -0.627 1.00 . A A . 13 DPR HD2 1 1 8 2198 1 1 13 DPR HD3 H 7.980 4.274 0.794 1.00 . A A . 13 DPR HD3 1 1 8 2199 1 1 13 DPR HG2 H 10.118 4.402 -0.307 1.00 . A A . 13 DPR HG2 1 1 8 2200 1 1 13 DPR HG3 H 9.895 2.811 -1.076 1.00 . A A . 13 DPR HG3 1 1 8 2201 1 1 13 DPR N N 8.172 2.173 1.156 1.00 . A A . 13 DPR N 1 1 8 2202 1 1 13 DPR O O 9.769 0.045 -0.500 1.00 . A A . 13 DPR O 1 1 8 2203 1 1 14 PRO C C 9.401 -2.927 -0.057 1.00 . A A . 14 PRO C 1 1 8 2204 1 1 14 PRO CA C 10.334 -2.241 0.999 1.00 . A A . 14 PRO CA 1 1 8 2205 1 1 14 PRO CB C 10.523 -3.034 2.312 1.00 . A A . 14 PRO CB 1 1 8 2206 1 1 14 PRO CD C 9.620 -0.885 2.974 1.00 . A A . 14 PRO CD 1 1 8 2207 1 1 14 PRO CG C 9.596 -2.370 3.340 1.00 . A A . 14 PRO CG 1 1 8 2208 1 1 14 PRO HA H 11.325 -2.146 0.514 1.00 . A A . 14 PRO HA 1 1 8 2209 1 1 14 PRO HB2 H 10.326 -4.118 2.202 1.00 . A A . 14 PRO HB2 1 1 8 2210 1 1 14 PRO HB3 H 11.574 -2.947 2.648 1.00 . A A . 14 PRO HB3 1 1 8 2211 1 1 14 PRO HD2 H 8.660 -0.378 3.198 1.00 . A A . 14 PRO HD2 1 1 8 2212 1 1 14 PRO HD3 H 10.418 -0.342 3.517 1.00 . A A . 14 PRO HD3 1 1 8 2213 1 1 14 PRO HG2 H 8.568 -2.769 3.243 1.00 . A A . 14 PRO HG2 1 1 8 2214 1 1 14 PRO HG3 H 9.914 -2.552 4.384 1.00 . A A . 14 PRO HG3 1 1 8 2215 1 1 14 PRO N N 9.913 -0.917 1.531 1.00 . A A . 14 PRO N 1 1 8 2216 1 1 14 PRO O O 9.844 -3.337 -1.124 1.00 . A A . 14 PRO O 1 1 9 2217 1 1 1 THR C C 5.729 -2.943 -1.016 1.00 . A A . 1 THR C 1 1 9 2218 1 1 1 THR CA C 6.992 -3.792 -1.177 1.00 . A A . 1 THR CA 1 1 9 2219 1 1 1 THR CB C 6.707 -5.293 -1.260 1.00 . A A . 1 THR CB 1 1 9 2220 1 1 1 THR CG2 C 6.017 -5.687 -2.567 1.00 . A A . 1 THR CG2 1 1 9 2221 1 1 1 THR H1 H 7.502 -3.075 0.711 1.00 . A A . 1 THR H1 1 1 9 2222 1 1 1 THR HA H 7.484 -3.464 -2.093 1.00 . A A . 1 THR HA 1 1 9 2223 1 1 1 THR HB H 6.130 -5.627 -0.398 1.00 . A A . 1 THR HB 1 1 9 2224 1 1 1 THR HG1 H 8.486 -5.788 -0.489 1.00 . A A . 1 THR HG1 1 1 9 2225 1 1 1 THR HG21 H 5.177 -5.018 -2.751 1.00 . A A . 1 THR HG21 1 1 9 2226 1 1 1 THR HG22 H 6.728 -5.612 -3.391 1.00 . A A . 1 THR HG22 1 1 9 2227 1 1 1 THR HG23 H 5.656 -6.713 -2.492 1.00 . A A . 1 THR HG23 1 1 9 2228 1 1 1 THR N N 7.898 -3.567 -0.064 1.00 . A A . 1 THR N 1 1 9 2229 1 1 1 THR O O 5.327 -2.626 0.102 1.00 . A A . 1 THR O 1 1 9 2230 1 1 1 THR OG1 O 7.999 -5.886 -1.356 1.00 . A A . 1 THR OG1 1 1 9 2231 1 1 2 TRP C C 2.982 -2.360 -1.092 1.00 . A A . 2 TRP C 1 1 9 2232 1 1 2 TRP CA C 3.930 -1.790 -2.150 1.00 . A A . 2 TRP CA 1 1 9 2233 1 1 2 TRP CB C 3.305 -1.737 -3.546 1.00 . A A . 2 TRP CB 1 1 9 2234 1 1 2 TRP CD1 C 5.227 -2.103 -5.230 1.00 . A A . 2 TRP CD1 1 1 9 2235 1 1 2 TRP CD2 C 4.385 -0.054 -5.294 1.00 . A A . 2 TRP CD2 1 1 9 2236 1 1 2 TRP CE2 C 5.394 -0.116 -6.234 1.00 . A A . 2 TRP CE2 1 1 9 2237 1 1 2 TRP CE3 C 3.646 1.124 -5.089 1.00 . A A . 2 TRP CE3 1 1 9 2238 1 1 2 TRP CG C 4.286 -1.342 -4.652 1.00 . A A . 2 TRP CG 1 1 9 2239 1 1 2 TRP CH2 C 5.033 2.153 -6.855 1.00 . A A . 2 TRP CH2 1 1 9 2240 1 1 2 TRP CZ2 C 5.756 0.969 -7.042 1.00 . A A . 2 TRP CZ2 1 1 9 2241 1 1 2 TRP CZ3 C 4.020 2.198 -5.905 1.00 . A A . 2 TRP CZ3 1 1 9 2242 1 1 2 TRP H H 5.472 -2.858 -3.057 1.00 . A A . 2 TRP H 1 1 9 2243 1 1 2 TRP HA H 4.211 -0.770 -1.889 1.00 . A A . 2 TRP HA 1 1 9 2244 1 1 2 TRP HB2 H 2.882 -2.714 -3.781 1.00 . A A . 2 TRP HB2 1 1 9 2245 1 1 2 TRP HB3 H 2.480 -1.025 -3.536 1.00 . A A . 2 TRP HB3 1 1 9 2246 1 1 2 TRP HD1 H 5.420 -3.144 -4.971 1.00 . A A . 2 TRP HD1 1 1 9 2247 1 1 2 TRP HE1 H 6.736 -1.784 -6.810 1.00 . A A . 2 TRP HE1 1 1 9 2248 1 1 2 TRP HE3 H 2.845 1.198 -4.354 1.00 . A A . 2 TRP HE3 1 1 9 2249 1 1 2 TRP HH2 H 5.265 3.036 -7.452 1.00 . A A . 2 TRP HH2 1 1 9 2250 1 1 2 TRP HZ2 H 6.557 0.895 -7.777 1.00 . A A . 2 TRP HZ2 1 1 9 2251 1 1 2 TRP HZ3 H 3.479 3.137 -5.786 1.00 . A A . 2 TRP HZ3 1 1 9 2252 1 1 2 TRP N N 5.139 -2.597 -2.151 1.00 . A A . 2 TRP N 1 1 9 2253 1 1 2 TRP NE1 N 5.922 -1.401 -6.193 1.00 . A A . 2 TRP NE1 1 1 9 2254 1 1 2 TRP O O 3.048 -3.544 -0.768 1.00 . A A . 2 TRP O 1 1 9 2255 1 1 3 LEU C C -0.221 -1.355 0.057 1.00 . A A . 3 LEU C 1 1 9 2256 1 1 3 LEU CA C 1.162 -1.890 0.430 1.00 . A A . 3 LEU CA 1 1 9 2257 1 1 3 LEU CB C 1.636 -1.455 1.817 1.00 . A A . 3 LEU CB 1 1 9 2258 1 1 3 LEU CD1 C 2.634 -3.347 3.154 1.00 . A A . 3 LEU CD1 1 1 9 2259 1 1 3 LEU CD2 C 0.994 -1.745 4.240 1.00 . A A . 3 LEU CD2 1 1 9 2260 1 1 3 LEU CG C 1.406 -2.458 2.950 1.00 . A A . 3 LEU CG 1 1 9 2261 1 1 3 LEU H H 2.075 -0.527 -0.855 1.00 . A A . 3 LEU H 1 1 9 2262 1 1 3 LEU HA H 1.123 -2.980 0.429 1.00 . A A . 3 LEU HA 1 1 9 2263 1 1 3 LEU HB2 H 2.703 -1.237 1.765 1.00 . A A . 3 LEU HB2 1 1 9 2264 1 1 3 LEU HB3 H 1.133 -0.524 2.076 1.00 . A A . 3 LEU HB3 1 1 9 2265 1 1 3 LEU HD11 H 3.304 -2.882 3.877 1.00 . A A . 3 LEU HD11 1 1 9 2266 1 1 3 LEU HD12 H 2.320 -4.322 3.525 1.00 . A A . 3 LEU HD12 1 1 9 2267 1 1 3 LEU HD13 H 3.156 -3.470 2.204 1.00 . A A . 3 LEU HD13 1 1 9 2268 1 1 3 LEU HD21 H 0.590 -0.761 3.998 1.00 . A A . 3 LEU HD21 1 1 9 2269 1 1 3 LEU HD22 H 0.234 -2.333 4.753 1.00 . A A . 3 LEU HD22 1 1 9 2270 1 1 3 LEU HD23 H 1.864 -1.631 4.885 1.00 . A A . 3 LEU HD23 1 1 9 2271 1 1 3 LEU HG H 0.580 -3.111 2.666 1.00 . A A . 3 LEU HG 1 1 9 2272 1 1 3 LEU N N 2.122 -1.489 -0.585 1.00 . A A . 3 LEU N 1 1 9 2273 1 1 3 LEU O O -0.446 -0.146 0.066 1.00 . A A . 3 LEU O 1 1 9 2274 1 1 4 LYS C C -3.457 -2.840 0.076 1.00 . A A . 4 LYS C 1 1 9 2275 1 1 4 LYS CA C -2.468 -1.917 -0.641 1.00 . A A . 4 LYS CA 1 1 9 2276 1 1 4 LYS CB C -2.620 -1.916 -2.162 1.00 . A A . 4 LYS CB 1 1 9 2277 1 1 4 LYS CD C -3.089 -3.429 -4.124 1.00 . A A . 4 LYS CD 1 1 9 2278 1 1 4 LYS CE C -2.158 -4.167 -5.088 1.00 . A A . 4 LYS CE 1 1 9 2279 1 1 4 LYS CG C -2.467 -3.328 -2.730 1.00 . A A . 4 LYS CG 1 1 9 2280 1 1 4 LYS H H -0.922 -3.263 -0.270 1.00 . A A . 4 LYS H 1 1 9 2281 1 1 4 LYS HA H -2.639 -0.897 -0.298 1.00 . A A . 4 LYS HA 1 1 9 2282 1 1 4 LYS HB2 H -3.596 -1.514 -2.434 1.00 . A A . 4 LYS HB2 1 1 9 2283 1 1 4 LYS HB3 H -1.872 -1.258 -2.606 1.00 . A A . 4 LYS HB3 1 1 9 2284 1 1 4 LYS HD2 H -4.044 -3.951 -4.064 1.00 . A A . 4 LYS HD2 1 1 9 2285 1 1 4 LYS HD3 H -3.296 -2.430 -4.508 1.00 . A A . 4 LYS HD3 1 1 9 2286 1 1 4 LYS HE2 H -2.524 -4.062 -6.110 1.00 . A A . 4 LYS HE2 1 1 9 2287 1 1 4 LYS HE3 H -1.164 -3.720 -5.058 1.00 . A A . 4 LYS HE3 1 1 9 2288 1 1 4 LYS HG2 H -1.410 -3.591 -2.780 1.00 . A A . 4 LYS HG2 1 1 9 2289 1 1 4 LYS HG3 H -2.943 -4.046 -2.063 1.00 . A A . 4 LYS HG3 1 1 9 2290 1 1 4 LYS HZ1 H -1.311 -5.743 -4.100 1.00 . A A . 4 LYS HZ1 1 1 9 2291 1 1 4 LYS HZ2 H -2.926 -5.886 -4.293 1.00 . A A . 4 LYS HZ2 1 1 9 2292 1 1 4 LYS HZ3 H -1.926 -6.143 -5.559 1.00 . A A . 4 LYS HZ3 1 1 9 2293 1 1 4 LYS N N -1.113 -2.281 -0.264 1.00 . A A . 4 LYS N 1 1 9 2294 1 1 4 LYS NZ N -2.073 -5.601 -4.731 1.00 . A A . 4 LYS NZ 1 1 9 2295 1 1 4 LYS O O -3.187 -4.028 0.250 1.00 . A A . 4 LYS O 1 1 9 2296 1 1 5 LYS C C -6.936 -2.258 1.078 1.00 . A A . 5 LYS C 1 1 9 2297 1 1 5 LYS CA C -5.609 -3.015 1.164 1.00 . A A . 5 LYS CA 1 1 9 2298 1 1 5 LYS CB C -5.172 -3.328 2.595 1.00 . A A . 5 LYS CB 1 1 9 2299 1 1 5 LYS CD C -4.490 -5.149 4.202 1.00 . A A . 5 LYS CD 1 1 9 2300 1 1 5 LYS CE C -5.034 -6.478 4.731 1.00 . A A . 5 LYS CE 1 1 9 2301 1 1 5 LYS CG C -5.055 -4.839 2.815 1.00 . A A . 5 LYS CG 1 1 9 2302 1 1 5 LYS H H -4.790 -1.293 0.325 1.00 . A A . 5 LYS H 1 1 9 2303 1 1 5 LYS HA H -5.720 -3.968 0.644 1.00 . A A . 5 LYS HA 1 1 9 2304 1 1 5 LYS HB2 H -4.213 -2.852 2.799 1.00 . A A . 5 LYS HB2 1 1 9 2305 1 1 5 LYS HB3 H -5.892 -2.910 3.299 1.00 . A A . 5 LYS HB3 1 1 9 2306 1 1 5 LYS HD2 H -3.402 -5.190 4.156 1.00 . A A . 5 LYS HD2 1 1 9 2307 1 1 5 LYS HD3 H -4.749 -4.345 4.892 1.00 . A A . 5 LYS HD3 1 1 9 2308 1 1 5 LYS HE2 H -5.991 -6.315 5.225 1.00 . A A . 5 LYS HE2 1 1 9 2309 1 1 5 LYS HE3 H -5.215 -7.160 3.900 1.00 . A A . 5 LYS HE3 1 1 9 2310 1 1 5 LYS HG2 H -6.035 -5.303 2.705 1.00 . A A . 5 LYS HG2 1 1 9 2311 1 1 5 LYS HG3 H -4.410 -5.271 2.051 1.00 . A A . 5 LYS HG3 1 1 9 2312 1 1 5 LYS HZ1 H -3.277 -7.423 5.180 1.00 . A A . 5 LYS HZ1 1 1 9 2313 1 1 5 LYS HZ2 H -3.787 -6.403 6.348 1.00 . A A . 5 LYS HZ2 1 1 9 2314 1 1 5 LYS HZ3 H -4.517 -7.851 6.154 1.00 . A A . 5 LYS HZ3 1 1 9 2315 1 1 5 LYS N N -4.580 -2.260 0.471 1.00 . A A . 5 LYS N 1 1 9 2316 1 1 5 LYS NZ N -4.076 -7.089 5.680 1.00 . A A . 5 LYS NZ 1 1 9 2317 1 1 5 LYS O O -7.880 -2.722 0.438 1.00 . A A . 5 LYS O 1 1 9 2318 1 1 6 ARG C C -7.799 1.182 1.472 1.00 . A A . 6 ARG C 1 1 9 2319 1 1 6 ARG CA C -8.163 -0.281 1.735 1.00 . A A . 6 ARG CA 1 1 9 2320 1 1 6 ARG CB C -8.897 -0.383 3.074 1.00 . A A . 6 ARG CB 1 1 9 2321 1 1 6 ARG CD C -10.609 0.984 4.322 1.00 . A A . 6 ARG CD 1 1 9 2322 1 1 6 ARG CG C -10.267 0.293 3.001 1.00 . A A . 6 ARG CG 1 1 9 2323 1 1 6 ARG CZ C -12.386 -0.472 5.287 1.00 . A A . 6 ARG CZ 1 1 9 2324 1 1 6 ARG H H -6.196 -0.736 2.248 1.00 . A A . 6 ARG H 1 1 9 2325 1 1 6 ARG HA H -8.781 -0.681 0.933 1.00 . A A . 6 ARG HA 1 1 9 2326 1 1 6 ARG HB2 H -9.019 -1.431 3.346 1.00 . A A . 6 ARG HB2 1 1 9 2327 1 1 6 ARG HB3 H -8.299 0.082 3.857 1.00 . A A . 6 ARG HB3 1 1 9 2328 1 1 6 ARG HD2 H -9.924 0.654 5.103 1.00 . A A . 6 ARG HD2 1 1 9 2329 1 1 6 ARG HD3 H -10.482 2.063 4.222 1.00 . A A . 6 ARG HD3 1 1 9 2330 1 1 6 ARG HE H -12.704 1.366 4.530 1.00 . A A . 6 ARG HE 1 1 9 2331 1 1 6 ARG HG2 H -10.274 1.023 2.192 1.00 . A A . 6 ARG HG2 1 1 9 2332 1 1 6 ARG HG3 H -11.030 -0.449 2.767 1.00 . A A . 6 ARG HG3 1 1 9 2333 1 1 6 ARG HH11 H -10.520 -1.281 5.309 1.00 . A A . 6 ARG HH11 1 1 9 2334 1 1 6 ARG HH12 H -11.766 -2.282 5.977 1.00 . A A . 6 ARG HH12 1 1 9 2335 1 1 6 ARG HH21 H -14.349 0.046 5.410 1.00 . A A . 6 ARG HH21 1 1 9 2336 1 1 6 ARG HH22 H -13.959 -1.522 6.034 1.00 . A A . 6 ARG HH22 1 1 9 2337 1 1 6 ARG N N -6.967 -1.106 1.730 1.00 . A A . 6 ARG N 1 1 9 2338 1 1 6 ARG NE N -12.004 0.676 4.709 1.00 . A A . 6 ARG NE 1 1 9 2339 1 1 6 ARG NH1 N -11.481 -1.426 5.546 1.00 . A A . 6 ARG NH1 1 1 9 2340 1 1 6 ARG NH2 N -13.674 -0.666 5.603 1.00 . A A . 6 ARG NH2 1 1 9 2341 1 1 6 ARG O O -7.690 1.977 2.405 1.00 . A A . 6 ARG O 1 1 9 2342 1 1 7 ARG C C -5.758 3.057 -0.098 1.00 . A A . 7 ARG C 1 1 9 2343 1 1 7 ARG CA C -7.271 2.848 -0.201 1.00 . A A . 7 ARG CA 1 1 9 2344 1 1 7 ARG CB C -7.983 3.880 0.675 1.00 . A A . 7 ARG CB 1 1 9 2345 1 1 7 ARG CD C -9.448 5.933 0.663 1.00 . A A . 7 ARG CD 1 1 9 2346 1 1 7 ARG CG C -8.543 5.024 -0.173 1.00 . A A . 7 ARG CG 1 1 9 2347 1 1 7 ARG CZ C -11.227 6.294 -1.043 1.00 . A A . 7 ARG CZ 1 1 9 2348 1 1 7 ARG H H -7.710 0.842 -0.556 1.00 . A A . 7 ARG H 1 1 9 2349 1 1 7 ARG HA H -7.608 2.929 -1.234 1.00 . A A . 7 ARG HA 1 1 9 2350 1 1 7 ARG HB2 H -8.793 3.400 1.224 1.00 . A A . 7 ARG HB2 1 1 9 2351 1 1 7 ARG HB3 H -7.287 4.277 1.414 1.00 . A A . 7 ARG HB3 1 1 9 2352 1 1 7 ARG HD2 H -9.412 5.632 1.710 1.00 . A A . 7 ARG HD2 1 1 9 2353 1 1 7 ARG HD3 H -9.088 6.962 0.614 1.00 . A A . 7 ARG HD3 1 1 9 2354 1 1 7 ARG HE H -11.532 5.462 0.763 1.00 . A A . 7 ARG HE 1 1 9 2355 1 1 7 ARG HG2 H -7.723 5.607 -0.591 1.00 . A A . 7 ARG HG2 1 1 9 2356 1 1 7 ARG HG3 H -9.106 4.618 -1.012 1.00 . A A . 7 ARG HG3 1 1 9 2357 1 1 7 ARG HH11 H -9.374 6.914 -1.606 1.00 . A A . 7 ARG HH11 1 1 9 2358 1 1 7 ARG HH12 H -10.622 7.159 -2.782 1.00 . A A . 7 ARG HH12 1 1 9 2359 1 1 7 ARG HH21 H -13.179 5.783 -0.788 1.00 . A A . 7 ARG HH21 1 1 9 2360 1 1 7 ARG HH22 H -12.801 6.511 -2.313 1.00 . A A . 7 ARG HH22 1 1 9 2361 1 1 7 ARG N N -7.620 1.494 0.197 1.00 . A A . 7 ARG N 1 1 9 2362 1 1 7 ARG NE N -10.838 5.860 0.163 1.00 . A A . 7 ARG NE 1 1 9 2363 1 1 7 ARG NH1 N -10.332 6.834 -1.882 1.00 . A A . 7 ARG NH1 1 1 9 2364 1 1 7 ARG NH2 N -12.511 6.187 -1.412 1.00 . A A . 7 ARG NH2 1 1 9 2365 1 1 7 ARG O O -5.217 3.994 -0.682 1.00 . A A . 7 ARG O 1 1 9 2366 1 1 8 TRP C C -3.017 2.104 -0.535 1.00 . A A . 8 TRP C 1 1 9 2367 1 1 8 TRP CA C -3.680 2.245 0.836 1.00 . A A . 8 TRP CA 1 1 9 2368 1 1 8 TRP CB C -3.202 1.197 1.842 1.00 . A A . 8 TRP CB 1 1 9 2369 1 1 8 TRP CD1 C -2.825 2.815 3.816 1.00 . A A . 8 TRP CD1 1 1 9 2370 1 1 8 TRP CD2 C -3.811 0.923 4.413 1.00 . A A . 8 TRP CD2 1 1 9 2371 1 1 8 TRP CE2 C -3.670 1.692 5.551 1.00 . A A . 8 TRP CE2 1 1 9 2372 1 1 8 TRP CE3 C -4.407 -0.350 4.458 1.00 . A A . 8 TRP CE3 1 1 9 2373 1 1 8 TRP CG C -3.262 1.659 3.300 1.00 . A A . 8 TRP CG 1 1 9 2374 1 1 8 TRP CH2 C -4.697 0.010 6.884 1.00 . A A . 8 TRP CH2 1 1 9 2375 1 1 8 TRP CZ2 C -4.100 1.274 6.816 1.00 . A A . 8 TRP CZ2 1 1 9 2376 1 1 8 TRP CZ3 C -4.831 -0.752 5.730 1.00 . A A . 8 TRP CZ3 1 1 9 2377 1 1 8 TRP H H -5.568 1.409 1.121 1.00 . A A . 8 TRP H 1 1 9 2378 1 1 8 TRP HA H -3.451 3.221 1.263 1.00 . A A . 8 TRP HA 1 1 9 2379 1 1 8 TRP HB2 H -3.810 0.298 1.732 1.00 . A A . 8 TRP HB2 1 1 9 2380 1 1 8 TRP HB3 H -2.175 0.919 1.602 1.00 . A A . 8 TRP HB3 1 1 9 2381 1 1 8 TRP HD1 H -2.351 3.607 3.235 1.00 . A A . 8 TRP HD1 1 1 9 2382 1 1 8 TRP HE1 H -2.792 3.708 5.836 1.00 . A A . 8 TRP HE1 1 1 9 2383 1 1 8 TRP HE3 H -4.530 -0.975 3.574 1.00 . A A . 8 TRP HE3 1 1 9 2384 1 1 8 TRP HH2 H -5.053 -0.376 7.840 1.00 . A A . 8 TRP HH2 1 1 9 2385 1 1 8 TRP HZ2 H -3.977 1.900 7.699 1.00 . A A . 8 TRP HZ2 1 1 9 2386 1 1 8 TRP HZ3 H -5.301 -1.731 5.821 1.00 . A A . 8 TRP HZ3 1 1 9 2387 1 1 8 TRP N N -5.119 2.169 0.649 1.00 . A A . 8 TRP N 1 1 9 2388 1 1 8 TRP NE1 N -3.051 2.879 5.177 1.00 . A A . 8 TRP NE1 1 1 9 2389 1 1 8 TRP O O -3.608 1.548 -1.461 1.00 . A A . 8 TRP O 1 1 9 2390 1 1 9 LYS C C 0.397 2.984 -1.607 1.00 . A A . 9 LYS C 1 1 9 2391 1 1 9 LYS CA C -1.049 2.555 -1.866 1.00 . A A . 9 LYS CA 1 1 9 2392 1 1 9 LYS CB C -1.747 3.373 -2.955 1.00 . A A . 9 LYS CB 1 1 9 2393 1 1 9 LYS CD C -0.539 3.821 -5.123 1.00 . A A . 9 LYS CD 1 1 9 2394 1 1 9 LYS CE C -1.355 4.552 -6.191 1.00 . A A . 9 LYS CE 1 1 9 2395 1 1 9 LYS CG C -1.413 2.833 -4.347 1.00 . A A . 9 LYS CG 1 1 9 2396 1 1 9 LYS H H -1.326 3.068 0.133 1.00 . A A . 9 LYS H 1 1 9 2397 1 1 9 LYS HA H -1.048 1.516 -2.196 1.00 . A A . 9 LYS HA 1 1 9 2398 1 1 9 LYS HB2 H -2.826 3.347 -2.800 1.00 . A A . 9 LYS HB2 1 1 9 2399 1 1 9 LYS HB3 H -1.442 4.417 -2.883 1.00 . A A . 9 LYS HB3 1 1 9 2400 1 1 9 LYS HD2 H -0.103 4.545 -4.434 1.00 . A A . 9 LYS HD2 1 1 9 2401 1 1 9 LYS HD3 H 0.289 3.289 -5.592 1.00 . A A . 9 LYS HD3 1 1 9 2402 1 1 9 LYS HE2 H -2.224 5.024 -5.733 1.00 . A A . 9 LYS HE2 1 1 9 2403 1 1 9 LYS HE3 H -0.755 5.348 -6.633 1.00 . A A . 9 LYS HE3 1 1 9 2404 1 1 9 LYS HG2 H -0.895 1.879 -4.255 1.00 . A A . 9 LYS HG2 1 1 9 2405 1 1 9 LYS HG3 H -2.333 2.644 -4.899 1.00 . A A . 9 LYS HG3 1 1 9 2406 1 1 9 LYS HZ1 H -2.657 3.187 -6.976 1.00 . A A . 9 LYS HZ1 1 1 9 2407 1 1 9 LYS HZ2 H -1.916 4.104 -8.105 1.00 . A A . 9 LYS HZ2 1 1 9 2408 1 1 9 LYS HZ3 H -1.097 2.900 -7.366 1.00 . A A . 9 LYS HZ3 1 1 9 2409 1 1 9 LYS N N -1.799 2.617 -0.624 1.00 . A A . 9 LYS N 1 1 9 2410 1 1 9 LYS NZ N -1.792 3.609 -7.244 1.00 . A A . 9 LYS NZ 1 1 9 2411 1 1 9 LYS O O 0.943 3.808 -2.337 1.00 . A A . 9 LYS O 1 1 9 2412 1 1 10 LYS C C 3.294 2.121 -1.242 1.00 . A A . 10 LYS C 1 1 9 2413 1 1 10 LYS CA C 2.345 2.717 -0.200 1.00 . A A . 10 LYS CA 1 1 9 2414 1 1 10 LYS CB C 2.637 2.258 1.231 1.00 . A A . 10 LYS CB 1 1 9 2415 1 1 10 LYS CD C 2.813 4.062 2.983 1.00 . A A . 10 LYS CD 1 1 9 2416 1 1 10 LYS CE C 2.773 3.340 4.331 1.00 . A A . 10 LYS CE 1 1 9 2417 1 1 10 LYS CG C 3.572 3.239 1.941 1.00 . A A . 10 LYS CG 1 1 9 2418 1 1 10 LYS H H 0.521 1.735 0.024 1.00 . A A . 10 LYS H 1 1 9 2419 1 1 10 LYS HA H 2.449 3.801 -0.218 1.00 . A A . 10 LYS HA 1 1 9 2420 1 1 10 LYS HB2 H 1.703 2.173 1.787 1.00 . A A . 10 LYS HB2 1 1 9 2421 1 1 10 LYS HB3 H 3.088 1.266 1.214 1.00 . A A . 10 LYS HB3 1 1 9 2422 1 1 10 LYS HD2 H 3.292 5.035 3.102 1.00 . A A . 10 LYS HD2 1 1 9 2423 1 1 10 LYS HD3 H 1.797 4.248 2.636 1.00 . A A . 10 LYS HD3 1 1 9 2424 1 1 10 LYS HE2 H 1.815 2.833 4.450 1.00 . A A . 10 LYS HE2 1 1 9 2425 1 1 10 LYS HE3 H 3.545 2.570 4.360 1.00 . A A . 10 LYS HE3 1 1 9 2426 1 1 10 LYS HG2 H 4.381 2.691 2.424 1.00 . A A . 10 LYS HG2 1 1 9 2427 1 1 10 LYS HG3 H 4.030 3.904 1.210 1.00 . A A . 10 LYS HG3 1 1 9 2428 1 1 10 LYS HZ1 H 2.621 5.194 5.175 1.00 . A A . 10 LYS HZ1 1 1 9 2429 1 1 10 LYS HZ2 H 2.493 3.974 6.253 1.00 . A A . 10 LYS HZ2 1 1 9 2430 1 1 10 LYS HZ3 H 3.953 4.373 5.641 1.00 . A A . 10 LYS HZ3 1 1 9 2431 1 1 10 LYS N N 0.974 2.405 -0.564 1.00 . A A . 10 LYS N 1 1 9 2432 1 1 10 LYS NZ N 2.976 4.297 5.440 1.00 . A A . 10 LYS NZ 1 1 9 2433 1 1 10 LYS O O 2.954 1.143 -1.908 1.00 . A A . 10 LYS O 1 1 9 2434 1 1 11 ALA C C 6.850 2.380 -1.663 1.00 . A A . 11 ALA C 1 1 9 2435 1 1 11 ALA CA C 5.463 2.276 -2.301 1.00 . A A . 11 ALA CA 1 1 9 2436 1 1 11 ALA CB C 5.352 3.090 -3.591 1.00 . A A . 11 ALA CB 1 1 9 2437 1 1 11 ALA H H 4.730 3.528 -0.805 1.00 . A A . 11 ALA H 1 1 9 2438 1 1 11 ALA HA H 5.253 1.230 -2.525 1.00 . A A . 11 ALA HA 1 1 9 2439 1 1 11 ALA HB1 H 4.300 3.272 -3.816 1.00 . A A . 11 ALA HB1 1 1 9 2440 1 1 11 ALA HB2 H 5.867 4.042 -3.465 1.00 . A A . 11 ALA HB2 1 1 9 2441 1 1 11 ALA HB3 H 5.807 2.535 -4.411 1.00 . A A . 11 ALA HB3 1 1 9 2442 1 1 11 ALA N N 4.463 2.734 -1.351 1.00 . A A . 11 ALA N 1 1 9 2443 1 1 11 ALA O O 7.641 1.440 -1.731 1.00 . A A . 11 ALA O 1 1 9 2444 1 1 12 LYS C C 8.825 2.499 0.319 1.00 . A A . 12 LYS C 1 1 9 2445 1 1 12 LYS CA C 8.382 3.770 -0.410 1.00 . A A . 12 LYS CA 1 1 9 2446 1 1 12 LYS CB C 8.302 5.002 0.495 1.00 . A A . 12 LYS CB 1 1 9 2447 1 1 12 LYS CD C 6.093 5.470 1.617 1.00 . A A . 12 LYS CD 1 1 9 2448 1 1 12 LYS CE C 6.280 6.969 1.861 1.00 . A A . 12 LYS CE 1 1 9 2449 1 1 12 LYS CG C 7.426 4.727 1.719 1.00 . A A . 12 LYS CG 1 1 9 2450 1 1 12 LYS H H 6.456 4.291 -1.007 1.00 . A A . 12 LYS H 1 1 9 2451 1 1 12 LYS HA H 9.109 3.991 -1.192 1.00 . A A . 12 LYS HA 1 1 9 2452 1 1 12 LYS HB2 H 9.303 5.286 0.817 1.00 . A A . 12 LYS HB2 1 1 9 2453 1 1 12 LYS HB3 H 7.896 5.843 -0.066 1.00 . A A . 12 LYS HB3 1 1 9 2454 1 1 12 LYS HD2 H 5.658 5.310 0.630 1.00 . A A . 12 LYS HD2 1 1 9 2455 1 1 12 LYS HD3 H 5.389 5.064 2.344 1.00 . A A . 12 LYS HD3 1 1 9 2456 1 1 12 LYS HE2 H 6.327 7.165 2.932 1.00 . A A . 12 LYS HE2 1 1 9 2457 1 1 12 LYS HE3 H 7.229 7.296 1.436 1.00 . A A . 12 LYS HE3 1 1 9 2458 1 1 12 LYS HG2 H 7.244 3.655 1.806 1.00 . A A . 12 LYS HG2 1 1 9 2459 1 1 12 LYS HG3 H 7.951 5.036 2.623 1.00 . A A . 12 LYS HG3 1 1 9 2460 1 1 12 LYS HZ1 H 4.658 7.145 0.631 1.00 . A A . 12 LYS HZ1 1 1 9 2461 1 1 12 LYS HZ2 H 4.559 8.063 1.978 1.00 . A A . 12 LYS HZ2 1 1 9 2462 1 1 12 LYS HZ3 H 5.537 8.517 0.752 1.00 . A A . 12 LYS HZ3 1 1 9 2463 1 1 12 LYS N N 7.104 3.531 -1.058 1.00 . A A . 12 LYS N 1 1 9 2464 1 1 12 LYS NZ N 5.168 7.736 1.257 1.00 . A A . 12 LYS NZ 1 1 9 2465 1 1 12 LYS O O 8.042 1.674 0.791 1.00 . A A . 12 LYS O 1 1 9 2466 1 1 13 DPR C C 10.573 -0.213 0.681 1.00 . A A . 13 DPR C 1 1 9 2467 1 1 13 DPR CA C 10.783 1.243 1.235 1.00 . A A . 13 DPR CA 1 1 9 2468 1 1 13 DPR CB C 12.250 1.727 1.284 1.00 . A A . 13 DPR CB 1 1 9 2469 1 1 13 DPR CD C 11.156 3.133 -0.342 1.00 . A A . 13 DPR CD 1 1 9 2470 1 1 13 DPR CG C 12.482 2.428 -0.058 1.00 . A A . 13 DPR CG 1 1 9 2471 1 1 13 DPR HA H 10.387 1.266 2.270 1.00 . A A . 13 DPR HA 1 1 9 2472 1 1 13 DPR HB2 H 12.969 0.904 1.463 1.00 . A A . 13 DPR HB2 1 1 9 2473 1 1 13 DPR HB3 H 12.385 2.443 2.118 1.00 . A A . 13 DPR HB3 1 1 9 2474 1 1 13 DPR HD2 H 10.934 3.160 -1.427 1.00 . A A . 13 DPR HD2 1 1 9 2475 1 1 13 DPR HD3 H 11.179 4.178 0.027 1.00 . A A . 13 DPR HD3 1 1 9 2476 1 1 13 DPR HG2 H 13.343 3.122 -0.038 1.00 . A A . 13 DPR HG2 1 1 9 2477 1 1 13 DPR HG3 H 12.688 1.676 -0.844 1.00 . A A . 13 DPR HG3 1 1 9 2478 1 1 13 DPR N N 10.171 2.331 0.415 1.00 . A A . 13 DPR N 1 1 9 2479 1 1 13 DPR O O 11.050 -0.579 -0.394 1.00 . A A . 13 DPR O 1 1 9 2480 1 1 14 PRO C C 9.052 -2.906 -0.195 1.00 . A A . 14 PRO C 1 1 9 2481 1 1 14 PRO CA C 9.746 -2.503 1.152 1.00 . A A . 14 PRO CA 1 1 9 2482 1 1 14 PRO CB C 9.037 -3.014 2.426 1.00 . A A . 14 PRO CB 1 1 9 2483 1 1 14 PRO CD C 9.122 -0.603 2.652 1.00 . A A . 14 PRO CD 1 1 9 2484 1 1 14 PRO CG C 8.250 -1.816 2.977 1.00 . A A . 14 PRO CG 1 1 9 2485 1 1 14 PRO HA H 10.757 -2.957 1.121 1.00 . A A . 14 PRO HA 1 1 9 2486 1 1 14 PRO HB2 H 8.394 -3.897 2.246 1.00 . A A . 14 PRO HB2 1 1 9 2487 1 1 14 PRO HB3 H 9.794 -3.334 3.169 1.00 . A A . 14 PRO HB3 1 1 9 2488 1 1 14 PRO HD2 H 8.523 0.309 2.458 1.00 . A A . 14 PRO HD2 1 1 9 2489 1 1 14 PRO HD3 H 9.825 -0.370 3.477 1.00 . A A . 14 PRO HD3 1 1 9 2490 1 1 14 PRO HG2 H 7.273 -1.730 2.463 1.00 . A A . 14 PRO HG2 1 1 9 2491 1 1 14 PRO HG3 H 8.037 -1.904 4.059 1.00 . A A . 14 PRO HG3 1 1 9 2492 1 1 14 PRO N N 9.863 -1.053 1.459 1.00 . A A . 14 PRO N 1 1 9 2493 1 1 14 PRO O O 9.562 -2.637 -1.277 1.00 . A A . 14 PRO O 1 1 10 2494 1 1 1 THR C C 5.550 -3.100 0.121 1.00 . A A . 1 THR C 1 1 10 2495 1 1 1 THR CA C 6.670 -4.069 -0.267 1.00 . A A . 1 THR CA 1 1 10 2496 1 1 1 THR CB C 6.538 -5.443 0.393 1.00 . A A . 1 THR CB 1 1 10 2497 1 1 1 THR CG2 C 5.218 -6.135 0.048 1.00 . A A . 1 THR CG2 1 1 10 2498 1 1 1 THR H1 H 7.932 -2.630 0.554 1.00 . A A . 1 THR H1 1 1 10 2499 1 1 1 THR HA H 6.636 -4.180 -1.351 1.00 . A A . 1 THR HA 1 1 10 2500 1 1 1 THR HB H 6.670 -5.371 1.472 1.00 . A A . 1 THR HB 1 1 10 2501 1 1 1 THR HG1 H 7.485 -7.177 0.076 1.00 . A A . 1 THR HG1 1 1 10 2502 1 1 1 THR HG21 H 5.196 -6.367 -1.017 1.00 . A A . 1 THR HG21 1 1 10 2503 1 1 1 THR HG22 H 5.130 -7.057 0.623 1.00 . A A . 1 THR HG22 1 1 10 2504 1 1 1 THR HG23 H 4.387 -5.473 0.293 1.00 . A A . 1 THR HG23 1 1 10 2505 1 1 1 THR N N 7.964 -3.518 0.096 1.00 . A A . 1 THR N 1 1 10 2506 1 1 1 THR O O 5.483 -2.649 1.262 1.00 . A A . 1 THR O 1 1 10 2507 1 1 1 THR OG1 O 7.526 -6.236 -0.260 1.00 . A A . 1 THR OG1 1 1 10 2508 1 1 2 TRP C C 2.385 -2.732 -0.174 1.00 . A A . 2 TRP C 1 1 10 2509 1 1 2 TRP CA C 3.587 -1.902 -0.628 1.00 . A A . 2 TRP CA 1 1 10 2510 1 1 2 TRP CB C 3.299 -1.069 -1.878 1.00 . A A . 2 TRP CB 1 1 10 2511 1 1 2 TRP CD1 C 5.295 -1.663 -3.401 1.00 . A A . 2 TRP CD1 1 1 10 2512 1 1 2 TRP CD2 C 3.330 -2.103 -4.324 1.00 . A A . 2 TRP CD2 1 1 10 2513 1 1 2 TRP CE2 C 4.303 -2.465 -5.234 1.00 . A A . 2 TRP CE2 1 1 10 2514 1 1 2 TRP CE3 C 1.963 -2.261 -4.612 1.00 . A A . 2 TRP CE3 1 1 10 2515 1 1 2 TRP CG C 3.982 -1.587 -3.144 1.00 . A A . 2 TRP CG 1 1 10 2516 1 1 2 TRP CH2 C 2.658 -3.171 -6.801 1.00 . A A . 2 TRP CH2 1 1 10 2517 1 1 2 TRP CZ2 C 4.014 -3.006 -6.492 1.00 . A A . 2 TRP CZ2 1 1 10 2518 1 1 2 TRP CZ3 C 1.690 -2.803 -5.874 1.00 . A A . 2 TRP CZ3 1 1 10 2519 1 1 2 TRP H H 4.762 -3.180 -1.780 1.00 . A A . 2 TRP H 1 1 10 2520 1 1 2 TRP HA H 3.879 -1.206 0.158 1.00 . A A . 2 TRP HA 1 1 10 2521 1 1 2 TRP HB2 H 2.222 -1.042 -2.044 1.00 . A A . 2 TRP HB2 1 1 10 2522 1 1 2 TRP HB3 H 3.618 -0.042 -1.699 1.00 . A A . 2 TRP HB3 1 1 10 2523 1 1 2 TRP HD1 H 6.075 -1.349 -2.708 1.00 . A A . 2 TRP HD1 1 1 10 2524 1 1 2 TRP HE1 H 6.514 -2.355 -5.107 1.00 . A A . 2 TRP HE1 1 1 10 2525 1 1 2 TRP HE3 H 1.176 -1.985 -3.911 1.00 . A A . 2 TRP HE3 1 1 10 2526 1 1 2 TRP HH2 H 2.364 -3.587 -7.765 1.00 . A A . 2 TRP HH2 1 1 10 2527 1 1 2 TRP HZ2 H 4.802 -3.282 -7.193 1.00 . A A . 2 TRP HZ2 1 1 10 2528 1 1 2 TRP HZ3 H 0.646 -2.946 -6.149 1.00 . A A . 2 TRP HZ3 1 1 10 2529 1 1 2 TRP N N 4.699 -2.809 -0.853 1.00 . A A . 2 TRP N 1 1 10 2530 1 1 2 TRP NE1 N 5.536 -2.188 -4.654 1.00 . A A . 2 TRP NE1 1 1 10 2531 1 1 2 TRP O O 1.997 -3.689 -0.842 1.00 . A A . 2 TRP O 1 1 10 2532 1 1 3 LEU C C -0.603 -2.340 1.049 1.00 . A A . 3 LEU C 1 1 10 2533 1 1 3 LEU CA C 0.680 -3.033 1.515 1.00 . A A . 3 LEU CA 1 1 10 2534 1 1 3 LEU CB C 0.800 -3.144 3.036 1.00 . A A . 3 LEU CB 1 1 10 2535 1 1 3 LEU CD1 C 3.029 -4.278 3.366 1.00 . A A . 3 LEU CD1 1 1 10 2536 1 1 3 LEU CD2 C 1.146 -4.659 5.022 1.00 . A A . 3 LEU CD2 1 1 10 2537 1 1 3 LEU CG C 1.515 -4.390 3.562 1.00 . A A . 3 LEU CG 1 1 10 2538 1 1 3 LEU H H 2.151 -1.558 1.501 1.00 . A A . 3 LEU H 1 1 10 2539 1 1 3 LEU HA H 0.688 -4.046 1.116 1.00 . A A . 3 LEU HA 1 1 10 2540 1 1 3 LEU HB2 H 1.328 -2.264 3.404 1.00 . A A . 3 LEU HB2 1 1 10 2541 1 1 3 LEU HB3 H -0.202 -3.116 3.463 1.00 . A A . 3 LEU HB3 1 1 10 2542 1 1 3 LEU HD11 H 3.540 -4.704 4.229 1.00 . A A . 3 LEU HD11 1 1 10 2543 1 1 3 LEU HD12 H 3.319 -4.821 2.467 1.00 . A A . 3 LEU HD12 1 1 10 2544 1 1 3 LEU HD13 H 3.304 -3.229 3.262 1.00 . A A . 3 LEU HD13 1 1 10 2545 1 1 3 LEU HD21 H 1.009 -3.711 5.544 1.00 . A A . 3 LEU HD21 1 1 10 2546 1 1 3 LEU HD22 H 0.219 -5.231 5.064 1.00 . A A . 3 LEU HD22 1 1 10 2547 1 1 3 LEU HD23 H 1.944 -5.225 5.501 1.00 . A A . 3 LEU HD23 1 1 10 2548 1 1 3 LEU HG H 1.178 -5.248 2.982 1.00 . A A . 3 LEU HG 1 1 10 2549 1 1 3 LEU N N 1.830 -2.337 0.962 1.00 . A A . 3 LEU N 1 1 10 2550 1 1 3 LEU O O -1.310 -1.730 1.851 1.00 . A A . 3 LEU O 1 1 10 2551 1 1 4 LYS C C -3.231 -2.811 -0.688 1.00 . A A . 4 LYS C 1 1 10 2552 1 1 4 LYS CA C -2.049 -1.848 -0.825 1.00 . A A . 4 LYS CA 1 1 10 2553 1 1 4 LYS CB C -1.776 -1.413 -2.267 1.00 . A A . 4 LYS CB 1 1 10 2554 1 1 4 LYS CD C -2.817 -0.933 -4.512 1.00 . A A . 4 LYS CD 1 1 10 2555 1 1 4 LYS CE C -4.115 -0.600 -5.254 1.00 . A A . 4 LYS CE 1 1 10 2556 1 1 4 LYS CG C -3.083 -1.172 -3.025 1.00 . A A . 4 LYS CG 1 1 10 2557 1 1 4 LYS H H -0.285 -2.954 -0.889 1.00 . A A . 4 LYS H 1 1 10 2558 1 1 4 LYS HA H -2.269 -0.947 -0.254 1.00 . A A . 4 LYS HA 1 1 10 2559 1 1 4 LYS HB2 H -1.176 -0.503 -2.268 1.00 . A A . 4 LYS HB2 1 1 10 2560 1 1 4 LYS HB3 H -1.192 -2.180 -2.777 1.00 . A A . 4 LYS HB3 1 1 10 2561 1 1 4 LYS HD2 H -2.106 -0.116 -4.632 1.00 . A A . 4 LYS HD2 1 1 10 2562 1 1 4 LYS HD3 H -2.361 -1.820 -4.951 1.00 . A A . 4 LYS HD3 1 1 10 2563 1 1 4 LYS HE2 H -4.968 -0.981 -4.694 1.00 . A A . 4 LYS HE2 1 1 10 2564 1 1 4 LYS HE3 H -4.234 0.481 -5.321 1.00 . A A . 4 LYS HE3 1 1 10 2565 1 1 4 LYS HG2 H -3.741 -2.031 -2.903 1.00 . A A . 4 LYS HG2 1 1 10 2566 1 1 4 LYS HG3 H -3.599 -0.310 -2.601 1.00 . A A . 4 LYS HG3 1 1 10 2567 1 1 4 LYS HZ1 H -3.185 -1.104 -7.003 1.00 . A A . 4 LYS HZ1 1 1 10 2568 1 1 4 LYS HZ2 H -4.353 -2.155 -6.558 1.00 . A A . 4 LYS HZ2 1 1 10 2569 1 1 4 LYS HZ3 H -4.757 -0.705 -7.191 1.00 . A A . 4 LYS HZ3 1 1 10 2570 1 1 4 LYS N N -0.864 -2.456 -0.245 1.00 . A A . 4 LYS N 1 1 10 2571 1 1 4 LYS NZ N -4.101 -1.188 -6.611 1.00 . A A . 4 LYS NZ 1 1 10 2572 1 1 4 LYS O O -3.111 -3.994 -1.000 1.00 . A A . 4 LYS O 1 1 10 2573 1 1 5 LYS C C -6.775 -2.196 -0.324 1.00 . A A . 5 LYS C 1 1 10 2574 1 1 5 LYS CA C -5.547 -3.062 -0.038 1.00 . A A . 5 LYS CA 1 1 10 2575 1 1 5 LYS CB C -5.557 -3.705 1.351 1.00 . A A . 5 LYS CB 1 1 10 2576 1 1 5 LYS CD C -6.169 -6.151 1.402 1.00 . A A . 5 LYS CD 1 1 10 2577 1 1 5 LYS CE C -6.078 -6.946 2.706 1.00 . A A . 5 LYS CE 1 1 10 2578 1 1 5 LYS CG C -5.026 -5.139 1.294 1.00 . A A . 5 LYS CG 1 1 10 2579 1 1 5 LYS H H -4.433 -1.303 0.031 1.00 . A A . 5 LYS H 1 1 10 2580 1 1 5 LYS HA H -5.517 -3.871 -0.767 1.00 . A A . 5 LYS HA 1 1 10 2581 1 1 5 LYS HB2 H -4.947 -3.116 2.034 1.00 . A A . 5 LYS HB2 1 1 10 2582 1 1 5 LYS HB3 H -6.571 -3.704 1.748 1.00 . A A . 5 LYS HB3 1 1 10 2583 1 1 5 LYS HD2 H -7.126 -5.631 1.354 1.00 . A A . 5 LYS HD2 1 1 10 2584 1 1 5 LYS HD3 H -6.136 -6.834 0.552 1.00 . A A . 5 LYS HD3 1 1 10 2585 1 1 5 LYS HE2 H -5.638 -7.923 2.513 1.00 . A A . 5 LYS HE2 1 1 10 2586 1 1 5 LYS HE3 H -5.418 -6.432 3.405 1.00 . A A . 5 LYS HE3 1 1 10 2587 1 1 5 LYS HG2 H -4.486 -5.295 0.361 1.00 . A A . 5 LYS HG2 1 1 10 2588 1 1 5 LYS HG3 H -4.316 -5.300 2.105 1.00 . A A . 5 LYS HG3 1 1 10 2589 1 1 5 LYS HZ1 H -7.862 -7.918 2.921 1.00 . A A . 5 LYS HZ1 1 1 10 2590 1 1 5 LYS HZ2 H -7.329 -7.220 4.298 1.00 . A A . 5 LYS HZ2 1 1 10 2591 1 1 5 LYS HZ3 H -7.974 -6.299 3.113 1.00 . A A . 5 LYS HZ3 1 1 10 2592 1 1 5 LYS N N -4.345 -2.267 -0.220 1.00 . A A . 5 LYS N 1 1 10 2593 1 1 5 LYS NZ N -7.420 -7.109 3.308 1.00 . A A . 5 LYS NZ 1 1 10 2594 1 1 5 LYS O O -7.485 -2.421 -1.302 1.00 . A A . 5 LYS O 1 1 10 2595 1 1 6 ARG C C -7.698 1.115 0.734 1.00 . A A . 6 ARG C 1 1 10 2596 1 1 6 ARG CA C -8.117 -0.319 0.403 1.00 . A A . 6 ARG CA 1 1 10 2597 1 1 6 ARG CB C -9.272 -0.730 1.320 1.00 . A A . 6 ARG CB 1 1 10 2598 1 1 6 ARG CD C -11.218 -0.633 -0.282 1.00 . A A . 6 ARG CD 1 1 10 2599 1 1 6 ARG CG C -10.560 0.006 0.942 1.00 . A A . 6 ARG CG 1 1 10 2600 1 1 6 ARG CZ C -11.747 0.126 -2.596 1.00 . A A . 6 ARG CZ 1 1 10 2601 1 1 6 ARG H H -6.405 -1.044 1.343 1.00 . A A . 6 ARG H 1 1 10 2602 1 1 6 ARG HA H -8.413 -0.410 -0.642 1.00 . A A . 6 ARG HA 1 1 10 2603 1 1 6 ARG HB2 H -9.430 -1.807 1.250 1.00 . A A . 6 ARG HB2 1 1 10 2604 1 1 6 ARG HB3 H -9.014 -0.513 2.355 1.00 . A A . 6 ARG HB3 1 1 10 2605 1 1 6 ARG HD2 H -10.781 -1.613 -0.471 1.00 . A A . 6 ARG HD2 1 1 10 2606 1 1 6 ARG HD3 H -12.280 -0.789 -0.095 1.00 . A A . 6 ARG HD3 1 1 10 2607 1 1 6 ARG HE H -10.339 0.952 -1.419 1.00 . A A . 6 ARG HE 1 1 10 2608 1 1 6 ARG HG2 H -11.252 -0.012 1.783 1.00 . A A . 6 ARG HG2 1 1 10 2609 1 1 6 ARG HG3 H -10.337 1.053 0.736 1.00 . A A . 6 ARG HG3 1 1 10 2610 1 1 6 ARG HH11 H -12.866 -1.441 -1.939 1.00 . A A . 6 ARG HH11 1 1 10 2611 1 1 6 ARG HH12 H -13.224 -0.902 -3.546 1.00 . A A . 6 ARG HH12 1 1 10 2612 1 1 6 ARG HH21 H -10.810 1.664 -3.539 1.00 . A A . 6 ARG HH21 1 1 10 2613 1 1 6 ARG HH22 H -12.046 0.876 -4.462 1.00 . A A . 6 ARG HH22 1 1 10 2614 1 1 6 ARG N N -6.988 -1.221 0.550 1.00 . A A . 6 ARG N 1 1 10 2615 1 1 6 ARG NE N -11.036 0.237 -1.466 1.00 . A A . 6 ARG NE 1 1 10 2616 1 1 6 ARG NH1 N -12.693 -0.819 -2.703 1.00 . A A . 6 ARG NH1 1 1 10 2617 1 1 6 ARG NH2 N -11.515 0.959 -3.618 1.00 . A A . 6 ARG NH2 1 1 10 2618 1 1 6 ARG O O -7.761 1.533 1.890 1.00 . A A . 6 ARG O 1 1 10 2619 1 1 7 ARG C C -5.385 3.257 0.303 1.00 . A A . 7 ARG C 1 1 10 2620 1 1 7 ARG CA C -6.851 3.207 -0.133 1.00 . A A . 7 ARG CA 1 1 10 2621 1 1 7 ARG CB C -7.710 3.929 0.907 1.00 . A A . 7 ARG CB 1 1 10 2622 1 1 7 ARG CD C -7.522 6.407 1.340 1.00 . A A . 7 ARG CD 1 1 10 2623 1 1 7 ARG CG C -8.098 5.327 0.421 1.00 . A A . 7 ARG CG 1 1 10 2624 1 1 7 ARG CZ C -8.311 7.471 3.450 1.00 . A A . 7 ARG CZ 1 1 10 2625 1 1 7 ARG H H -7.232 1.482 -1.236 1.00 . A A . 7 ARG H 1 1 10 2626 1 1 7 ARG HA H -6.984 3.661 -1.115 1.00 . A A . 7 ARG HA 1 1 10 2627 1 1 7 ARG HB2 H -8.609 3.347 1.109 1.00 . A A . 7 ARG HB2 1 1 10 2628 1 1 7 ARG HB3 H -7.163 4.006 1.846 1.00 . A A . 7 ARG HB3 1 1 10 2629 1 1 7 ARG HD2 H -6.461 6.223 1.510 1.00 . A A . 7 ARG HD2 1 1 10 2630 1 1 7 ARG HD3 H -7.604 7.383 0.863 1.00 . A A . 7 ARG HD3 1 1 10 2631 1 1 7 ARG HE H -8.720 5.576 2.907 1.00 . A A . 7 ARG HE 1 1 10 2632 1 1 7 ARG HG2 H -7.735 5.478 -0.596 1.00 . A A . 7 ARG HG2 1 1 10 2633 1 1 7 ARG HG3 H -9.185 5.416 0.387 1.00 . A A . 7 ARG HG3 1 1 10 2634 1 1 7 ARG HH11 H -7.186 8.677 2.261 1.00 . A A . 7 ARG HH11 1 1 10 2635 1 1 7 ARG HH12 H -7.741 9.402 3.733 1.00 . A A . 7 ARG HH12 1 1 10 2636 1 1 7 ARG HH21 H -9.452 6.533 4.848 1.00 . A A . 7 ARG HH21 1 1 10 2637 1 1 7 ARG HH22 H -9.039 8.175 5.214 1.00 . A A . 7 ARG HH22 1 1 10 2638 1 1 7 ARG N N -7.280 1.829 -0.300 1.00 . A A . 7 ARG N 1 1 10 2639 1 1 7 ARG NE N -8.247 6.413 2.630 1.00 . A A . 7 ARG NE 1 1 10 2640 1 1 7 ARG NH1 N -7.694 8.613 3.120 1.00 . A A . 7 ARG NH1 1 1 10 2641 1 1 7 ARG NH2 N -8.992 7.386 4.602 1.00 . A A . 7 ARG NH2 1 1 10 2642 1 1 7 ARG O O -4.737 4.297 0.194 1.00 . A A . 7 ARG O 1 1 10 2643 1 1 8 TRP C C -2.640 1.815 0.010 1.00 . A A . 8 TRP C 1 1 10 2644 1 1 8 TRP CA C -3.528 2.024 1.239 1.00 . A A . 8 TRP CA 1 1 10 2645 1 1 8 TRP CB C -3.372 0.917 2.285 1.00 . A A . 8 TRP CB 1 1 10 2646 1 1 8 TRP CD1 C -3.049 2.367 4.395 1.00 . A A . 8 TRP CD1 1 1 10 2647 1 1 8 TRP CD2 C -4.608 0.810 4.632 1.00 . A A . 8 TRP CD2 1 1 10 2648 1 1 8 TRP CE2 C -4.536 1.507 5.821 1.00 . A A . 8 TRP CE2 1 1 10 2649 1 1 8 TRP CE3 C -5.511 -0.254 4.461 1.00 . A A . 8 TRP CE3 1 1 10 2650 1 1 8 TRP CG C -3.642 1.374 3.719 1.00 . A A . 8 TRP CG 1 1 10 2651 1 1 8 TRP CH2 C -6.249 0.162 6.781 1.00 . A A . 8 TRP CH2 1 1 10 2652 1 1 8 TRP CZ2 C -5.341 1.218 6.929 1.00 . A A . 8 TRP CZ2 1 1 10 2653 1 1 8 TRP CZ3 C -6.308 -0.530 5.578 1.00 . A A . 8 TRP CZ3 1 1 10 2654 1 1 8 TRP H H -5.438 1.280 0.871 1.00 . A A . 8 TRP H 1 1 10 2655 1 1 8 TRP HA H -3.271 2.962 1.729 1.00 . A A . 8 TRP HA 1 1 10 2656 1 1 8 TRP HB2 H -4.052 0.101 2.039 1.00 . A A . 8 TRP HB2 1 1 10 2657 1 1 8 TRP HB3 H -2.360 0.517 2.226 1.00 . A A . 8 TRP HB3 1 1 10 2658 1 1 8 TRP HD1 H -2.263 3.002 3.987 1.00 . A A . 8 TRP HD1 1 1 10 2659 1 1 8 TRP HE1 H -3.251 3.210 6.425 1.00 . A A . 8 TRP HE1 1 1 10 2660 1 1 8 TRP HE3 H -5.587 -0.820 3.532 1.00 . A A . 8 TRP HE3 1 1 10 2661 1 1 8 TRP HH2 H -6.906 -0.115 7.605 1.00 . A A . 8 TRP HH2 1 1 10 2662 1 1 8 TRP HZ2 H -5.266 1.785 7.858 1.00 . A A . 8 TRP HZ2 1 1 10 2663 1 1 8 TRP HZ3 H -7.027 -1.347 5.497 1.00 . A A . 8 TRP HZ3 1 1 10 2664 1 1 8 TRP N N -4.905 2.122 0.786 1.00 . A A . 8 TRP N 1 1 10 2665 1 1 8 TRP NE1 N -3.558 2.485 5.672 1.00 . A A . 8 TRP NE1 1 1 10 2666 1 1 8 TRP O O -2.979 1.034 -0.879 1.00 . A A . 8 TRP O 1 1 10 2667 1 1 9 LYS C C 0.669 3.242 -0.778 1.00 . A A . 9 LYS C 1 1 10 2668 1 1 9 LYS CA C -0.583 2.426 -1.105 1.00 . A A . 9 LYS CA 1 1 10 2669 1 1 9 LYS CB C -1.257 2.832 -2.417 1.00 . A A . 9 LYS CB 1 1 10 2670 1 1 9 LYS CD C -0.553 3.255 -4.801 1.00 . A A . 9 LYS CD 1 1 10 2671 1 1 9 LYS CE C 0.236 4.532 -4.509 1.00 . A A . 9 LYS CE 1 1 10 2672 1 1 9 LYS CG C -0.486 2.285 -3.621 1.00 . A A . 9 LYS CG 1 1 10 2673 1 1 9 LYS H H -1.254 3.155 0.728 1.00 . A A . 9 LYS H 1 1 10 2674 1 1 9 LYS HA H -0.298 1.379 -1.198 1.00 . A A . 9 LYS HA 1 1 10 2675 1 1 9 LYS HB2 H -2.280 2.458 -2.436 1.00 . A A . 9 LYS HB2 1 1 10 2676 1 1 9 LYS HB3 H -1.313 3.918 -2.480 1.00 . A A . 9 LYS HB3 1 1 10 2677 1 1 9 LYS HD2 H -0.155 2.774 -5.695 1.00 . A A . 9 LYS HD2 1 1 10 2678 1 1 9 LYS HD3 H -1.594 3.506 -5.012 1.00 . A A . 9 LYS HD3 1 1 10 2679 1 1 9 LYS HE2 H -0.280 5.119 -3.748 1.00 . A A . 9 LYS HE2 1 1 10 2680 1 1 9 LYS HE3 H 1.216 4.277 -4.105 1.00 . A A . 9 LYS HE3 1 1 10 2681 1 1 9 LYS HG2 H 0.555 2.116 -3.344 1.00 . A A . 9 LYS HG2 1 1 10 2682 1 1 9 LYS HG3 H -0.899 1.320 -3.914 1.00 . A A . 9 LYS HG3 1 1 10 2683 1 1 9 LYS HZ1 H 0.763 6.238 -5.505 1.00 . A A . 9 LYS HZ1 1 1 10 2684 1 1 9 LYS HZ2 H 1.025 4.873 -6.363 1.00 . A A . 9 LYS HZ2 1 1 10 2685 1 1 9 LYS HZ3 H -0.495 5.446 -6.185 1.00 . A A . 9 LYS HZ3 1 1 10 2686 1 1 9 LYS N N -1.521 2.524 0.000 1.00 . A A . 9 LYS N 1 1 10 2687 1 1 9 LYS NZ N 0.395 5.337 -5.740 1.00 . A A . 9 LYS NZ 1 1 10 2688 1 1 9 LYS O O 0.907 4.288 -1.379 1.00 . A A . 9 LYS O 1 1 10 2689 1 1 10 LYS C C 3.602 3.520 -0.612 1.00 . A A . 10 LYS C 1 1 10 2690 1 1 10 LYS CA C 2.660 3.401 0.587 1.00 . A A . 10 LYS CA 1 1 10 2691 1 1 10 LYS CB C 3.281 2.686 1.789 1.00 . A A . 10 LYS CB 1 1 10 2692 1 1 10 LYS CD C 2.937 4.540 3.464 1.00 . A A . 10 LYS CD 1 1 10 2693 1 1 10 LYS CE C 3.494 5.039 4.798 1.00 . A A . 10 LYS CE 1 1 10 2694 1 1 10 LYS CG C 3.967 3.682 2.725 1.00 . A A . 10 LYS CG 1 1 10 2695 1 1 10 LYS H H 1.237 1.880 0.658 1.00 . A A . 10 LYS H 1 1 10 2696 1 1 10 LYS HA H 2.388 4.405 0.915 1.00 . A A . 10 LYS HA 1 1 10 2697 1 1 10 LYS HB2 H 2.509 2.142 2.333 1.00 . A A . 10 LYS HB2 1 1 10 2698 1 1 10 LYS HB3 H 4.006 1.948 1.443 1.00 . A A . 10 LYS HB3 1 1 10 2699 1 1 10 LYS HD2 H 2.653 5.389 2.843 1.00 . A A . 10 LYS HD2 1 1 10 2700 1 1 10 LYS HD3 H 2.032 3.957 3.639 1.00 . A A . 10 LYS HD3 1 1 10 2701 1 1 10 LYS HE2 H 3.583 4.206 5.496 1.00 . A A . 10 LYS HE2 1 1 10 2702 1 1 10 LYS HE3 H 4.497 5.441 4.652 1.00 . A A . 10 LYS HE3 1 1 10 2703 1 1 10 LYS HG2 H 4.582 3.145 3.447 1.00 . A A . 10 LYS HG2 1 1 10 2704 1 1 10 LYS HG3 H 4.635 4.324 2.153 1.00 . A A . 10 LYS HG3 1 1 10 2705 1 1 10 LYS HZ1 H 1.790 5.654 5.745 1.00 . A A . 10 LYS HZ1 1 1 10 2706 1 1 10 LYS HZ2 H 3.098 6.565 6.099 1.00 . A A . 10 LYS HZ2 1 1 10 2707 1 1 10 LYS HZ3 H 2.355 6.730 4.653 1.00 . A A . 10 LYS HZ3 1 1 10 2708 1 1 10 LYS N N 1.437 2.732 0.174 1.00 . A A . 10 LYS N 1 1 10 2709 1 1 10 LYS NZ N 2.614 6.081 5.370 1.00 . A A . 10 LYS NZ 1 1 10 2710 1 1 10 LYS O O 3.805 4.612 -1.141 1.00 . A A . 10 LYS O 1 1 10 2711 1 1 11 ALA C C 6.489 2.621 -1.641 1.00 . A A . 11 ALA C 1 1 10 2712 1 1 11 ALA CA C 5.068 2.345 -2.134 1.00 . A A . 11 ALA CA 1 1 10 2713 1 1 11 ALA CB C 4.613 3.350 -3.195 1.00 . A A . 11 ALA CB 1 1 10 2714 1 1 11 ALA H H 3.982 1.497 -0.572 1.00 . A A . 11 ALA H 1 1 10 2715 1 1 11 ALA HA H 5.029 1.342 -2.561 1.00 . A A . 11 ALA HA 1 1 10 2716 1 1 11 ALA HB1 H 4.961 3.025 -4.175 1.00 . A A . 11 ALA HB1 1 1 10 2717 1 1 11 ALA HB2 H 3.525 3.408 -3.196 1.00 . A A . 11 ALA HB2 1 1 10 2718 1 1 11 ALA HB3 H 5.030 4.330 -2.968 1.00 . A A . 11 ALA HB3 1 1 10 2719 1 1 11 ALA N N 4.153 2.382 -1.007 1.00 . A A . 11 ALA N 1 1 10 2720 1 1 11 ALA O O 7.440 1.974 -2.078 1.00 . A A . 11 ALA O 1 1 10 2721 1 1 12 LYS C C 8.727 2.695 0.017 1.00 . A A . 12 LYS C 1 1 10 2722 1 1 12 LYS CA C 7.880 3.954 -0.178 1.00 . A A . 12 LYS CA 1 1 10 2723 1 1 12 LYS CB C 7.695 4.774 1.101 1.00 . A A . 12 LYS CB 1 1 10 2724 1 1 12 LYS CD C 9.406 6.099 2.396 1.00 . A A . 12 LYS CD 1 1 10 2725 1 1 12 LYS CE C 10.620 7.014 2.226 1.00 . A A . 12 LYS CE 1 1 10 2726 1 1 12 LYS CG C 8.602 6.007 1.098 1.00 . A A . 12 LYS CG 1 1 10 2727 1 1 12 LYS H H 5.813 4.106 -0.385 1.00 . A A . 12 LYS H 1 1 10 2728 1 1 12 LYS HA H 8.378 4.597 -0.903 1.00 . A A . 12 LYS HA 1 1 10 2729 1 1 12 LYS HB2 H 6.654 5.084 1.191 1.00 . A A . 12 LYS HB2 1 1 10 2730 1 1 12 LYS HB3 H 7.919 4.155 1.970 1.00 . A A . 12 LYS HB3 1 1 10 2731 1 1 12 LYS HD2 H 8.769 6.479 3.195 1.00 . A A . 12 LYS HD2 1 1 10 2732 1 1 12 LYS HD3 H 9.734 5.104 2.697 1.00 . A A . 12 LYS HD3 1 1 10 2733 1 1 12 LYS HE2 H 10.991 6.948 1.202 1.00 . A A . 12 LYS HE2 1 1 10 2734 1 1 12 LYS HE3 H 10.327 8.051 2.392 1.00 . A A . 12 LYS HE3 1 1 10 2735 1 1 12 LYS HG2 H 9.282 5.959 0.247 1.00 . A A . 12 LYS HG2 1 1 10 2736 1 1 12 LYS HG3 H 7.999 6.906 0.974 1.00 . A A . 12 LYS HG3 1 1 10 2737 1 1 12 LYS HZ1 H 11.759 5.639 3.219 1.00 . A A . 12 LYS HZ1 1 1 10 2738 1 1 12 LYS HZ2 H 12.562 7.015 2.862 1.00 . A A . 12 LYS HZ2 1 1 10 2739 1 1 12 LYS HZ3 H 11.477 6.998 4.081 1.00 . A A . 12 LYS HZ3 1 1 10 2740 1 1 12 LYS N N 6.591 3.583 -0.736 1.00 . A A . 12 LYS N 1 1 10 2741 1 1 12 LYS NZ N 11.691 6.636 3.173 1.00 . A A . 12 LYS NZ 1 1 10 2742 1 1 12 LYS O O 8.530 1.869 0.909 1.00 . A A . 12 LYS O 1 1 10 2743 1 1 13 DPR C C 10.253 0.004 -1.022 1.00 . A A . 13 DPR C 1 1 10 2744 1 1 13 DPR CA C 10.766 1.464 -0.743 1.00 . A A . 13 DPR CA 1 1 10 2745 1 1 13 DPR CB C 11.842 1.985 -1.721 1.00 . A A . 13 DPR CB 1 1 10 2746 1 1 13 DPR CD C 9.901 3.369 -2.092 1.00 . A A . 13 DPR CD 1 1 10 2747 1 1 13 DPR CG C 11.060 2.697 -2.828 1.00 . A A . 13 DPR CG 1 1 10 2748 1 1 13 DPR HA H 11.206 1.471 0.276 1.00 . A A . 13 DPR HA 1 1 10 2749 1 1 13 DPR HB2 H 12.496 1.181 -2.113 1.00 . A A . 13 DPR HB2 1 1 10 2750 1 1 13 DPR HB3 H 12.509 2.702 -1.203 1.00 . A A . 13 DPR HB3 1 1 10 2751 1 1 13 DPR HD2 H 8.984 3.393 -2.712 1.00 . A A . 13 DPR HD2 1 1 10 2752 1 1 13 DPR HD3 H 10.158 4.412 -1.822 1.00 . A A . 13 DPR HD3 1 1 10 2753 1 1 13 DPR HG2 H 11.678 3.413 -3.400 1.00 . A A . 13 DPR HG2 1 1 10 2754 1 1 13 DPR HG3 H 10.671 1.953 -3.551 1.00 . A A . 13 DPR HG3 1 1 10 2755 1 1 13 DPR N N 9.738 2.537 -0.879 1.00 . A A . 13 DPR N 1 1 10 2756 1 1 13 DPR O O 9.801 -0.331 -2.118 1.00 . A A . 13 DPR O 1 1 10 2757 1 1 14 PRO C C 8.678 -2.739 -0.729 1.00 . A A . 14 PRO C 1 1 10 2758 1 1 14 PRO CA C 10.089 -2.324 -0.186 1.00 . A A . 14 PRO CA 1 1 10 2759 1 1 14 PRO CB C 10.424 -2.860 1.224 1.00 . A A . 14 PRO CB 1 1 10 2760 1 1 14 PRO CD C 10.601 -0.449 1.385 1.00 . A A . 14 PRO CD 1 1 10 2761 1 1 14 PRO CG C 10.191 -1.686 2.184 1.00 . A A . 14 PRO CG 1 1 10 2762 1 1 14 PRO HA H 10.825 -2.753 -0.895 1.00 . A A . 14 PRO HA 1 1 10 2763 1 1 14 PRO HB2 H 9.840 -3.759 1.502 1.00 . A A . 14 PRO HB2 1 1 10 2764 1 1 14 PRO HB3 H 11.489 -3.165 1.261 1.00 . A A . 14 PRO HB3 1 1 10 2765 1 1 14 PRO HD2 H 10.012 0.448 1.661 1.00 . A A . 14 PRO HD2 1 1 10 2766 1 1 14 PRO HD3 H 11.672 -0.203 1.531 1.00 . A A . 14 PRO HD3 1 1 10 2767 1 1 14 PRO HG2 H 9.121 -1.623 2.460 1.00 . A A . 14 PRO HG2 1 1 10 2768 1 1 14 PRO HG3 H 10.759 -1.785 3.129 1.00 . A A . 14 PRO HG3 1 1 10 2769 1 1 14 PRO N N 10.359 -0.874 -0.005 1.00 . A A . 14 PRO N 1 1 10 2770 1 1 14 PRO O O 8.304 -2.401 -1.847 1.00 . A A . 14 PRO O 1 1 11 2771 1 1 1 THR C C 5.591 -3.738 0.361 1.00 . A A . 1 THR C 1 1 11 2772 1 1 1 THR CA C 7.118 -3.741 0.258 1.00 . A A . 1 THR CA 1 1 11 2773 1 1 1 THR CB C 7.733 -5.136 0.388 1.00 . A A . 1 THR CB 1 1 11 2774 1 1 1 THR CG2 C 7.327 -5.835 1.687 1.00 . A A . 1 THR CG2 1 1 11 2775 1 1 1 THR H1 H 7.600 -3.242 2.221 1.00 . A A . 1 THR H1 1 1 11 2776 1 1 1 THR HA H 7.373 -3.320 -0.715 1.00 . A A . 1 THR HA 1 1 11 2777 1 1 1 THR HB H 8.817 -5.094 0.290 1.00 . A A . 1 THR HB 1 1 11 2778 1 1 1 THR HG1 H 7.461 -5.653 -1.526 1.00 . A A . 1 THR HG1 1 1 11 2779 1 1 1 THR HG21 H 8.183 -6.378 2.089 1.00 . A A . 1 THR HG21 1 1 11 2780 1 1 1 THR HG22 H 6.995 -5.092 2.412 1.00 . A A . 1 THR HG22 1 1 11 2781 1 1 1 THR HG23 H 6.515 -6.534 1.485 1.00 . A A . 1 THR HG23 1 1 11 2782 1 1 1 THR N N 7.697 -2.897 1.288 1.00 . A A . 1 THR N 1 1 11 2783 1 1 1 THR O O 4.978 -4.783 0.570 1.00 . A A . 1 THR O 1 1 11 2784 1 1 1 THR OG1 O 7.089 -5.896 -0.631 1.00 . A A . 1 THR OG1 1 1 11 2785 1 1 2 TRP C C 2.994 -2.767 -1.080 1.00 . A A . 2 TRP C 1 1 11 2786 1 1 2 TRP CA C 3.579 -2.398 0.284 1.00 . A A . 2 TRP CA 1 1 11 2787 1 1 2 TRP CB C 3.201 -0.985 0.736 1.00 . A A . 2 TRP CB 1 1 11 2788 1 1 2 TRP CD1 C 3.192 -1.779 3.191 1.00 . A A . 2 TRP CD1 1 1 11 2789 1 1 2 TRP CD2 C 2.701 0.369 2.965 1.00 . A A . 2 TRP CD2 1 1 11 2790 1 1 2 TRP CE2 C 2.662 0.077 4.313 1.00 . A A . 2 TRP CE2 1 1 11 2791 1 1 2 TRP CE3 C 2.433 1.664 2.488 1.00 . A A . 2 TRP CE3 1 1 11 2792 1 1 2 TRP CG C 3.044 -0.837 2.250 1.00 . A A . 2 TRP CG 1 1 11 2793 1 1 2 TRP CH2 C 2.088 2.325 4.844 1.00 . A A . 2 TRP CH2 1 1 11 2794 1 1 2 TRP CZ2 C 2.360 1.028 5.295 1.00 . A A . 2 TRP CZ2 1 1 11 2795 1 1 2 TRP CZ3 C 2.131 2.603 3.482 1.00 . A A . 2 TRP CZ3 1 1 11 2796 1 1 2 TRP H H 5.529 -1.705 0.041 1.00 . A A . 2 TRP H 1 1 11 2797 1 1 2 TRP HA H 3.210 -3.084 1.047 1.00 . A A . 2 TRP HA 1 1 11 2798 1 1 2 TRP HB2 H 3.963 -0.288 0.389 1.00 . A A . 2 TRP HB2 1 1 11 2799 1 1 2 TRP HB3 H 2.265 -0.700 0.255 1.00 . A A . 2 TRP HB3 1 1 11 2800 1 1 2 TRP HD1 H 3.454 -2.817 2.984 1.00 . A A . 2 TRP HD1 1 1 11 2801 1 1 2 TRP HE1 H 3.027 -1.825 5.393 1.00 . A A . 2 TRP HE1 1 1 11 2802 1 1 2 TRP HE3 H 2.457 1.921 1.429 1.00 . A A . 2 TRP HE3 1 1 11 2803 1 1 2 TRP HH2 H 1.845 3.113 5.556 1.00 . A A . 2 TRP HH2 1 1 11 2804 1 1 2 TRP HZ2 H 2.335 0.772 6.354 1.00 . A A . 2 TRP HZ2 1 1 11 2805 1 1 2 TRP HZ3 H 1.915 3.623 3.167 1.00 . A A . 2 TRP HZ3 1 1 11 2806 1 1 2 TRP N N 5.022 -2.551 0.210 1.00 . A A . 2 TRP N 1 1 11 2807 1 1 2 TRP NE1 N 2.970 -1.271 4.455 1.00 . A A . 2 TRP NE1 1 1 11 2808 1 1 2 TRP O O 3.731 -2.937 -2.050 1.00 . A A . 2 TRP O 1 1 11 2809 1 1 3 LEU C C -0.250 -2.331 -2.496 1.00 . A A . 3 LEU C 1 1 11 2810 1 1 3 LEU CA C 0.981 -3.224 -2.340 1.00 . A A . 3 LEU CA 1 1 11 2811 1 1 3 LEU CB C 0.663 -4.721 -2.373 1.00 . A A . 3 LEU CB 1 1 11 2812 1 1 3 LEU CD1 C 2.086 -5.413 -4.337 1.00 . A A . 3 LEU CD1 1 1 11 2813 1 1 3 LEU CD2 C 0.039 -6.770 -3.704 1.00 . A A . 3 LEU CD2 1 1 11 2814 1 1 3 LEU CG C 0.672 -5.379 -3.755 1.00 . A A . 3 LEU CG 1 1 11 2815 1 1 3 LEU H H 1.082 -2.739 -0.318 1.00 . A A . 3 LEU H 1 1 11 2816 1 1 3 LEU HA H 1.662 -3.022 -3.167 1.00 . A A . 3 LEU HA 1 1 11 2817 1 1 3 LEU HB2 H 1.383 -5.240 -1.742 1.00 . A A . 3 LEU HB2 1 1 11 2818 1 1 3 LEU HB3 H -0.320 -4.873 -1.927 1.00 . A A . 3 LEU HB3 1 1 11 2819 1 1 3 LEU HD11 H 2.117 -6.109 -5.175 1.00 . A A . 3 LEU HD11 1 1 11 2820 1 1 3 LEU HD12 H 2.362 -4.416 -4.681 1.00 . A A . 3 LEU HD12 1 1 11 2821 1 1 3 LEU HD13 H 2.788 -5.738 -3.568 1.00 . A A . 3 LEU HD13 1 1 11 2822 1 1 3 LEU HD21 H 0.170 -7.192 -2.708 1.00 . A A . 3 LEU HD21 1 1 11 2823 1 1 3 LEU HD22 H -1.025 -6.694 -3.930 1.00 . A A . 3 LEU HD22 1 1 11 2824 1 1 3 LEU HD23 H 0.521 -7.415 -4.439 1.00 . A A . 3 LEU HD23 1 1 11 2825 1 1 3 LEU HG H 0.063 -4.772 -4.426 1.00 . A A . 3 LEU HG 1 1 11 2826 1 1 3 LEU N N 1.674 -2.880 -1.111 1.00 . A A . 3 LEU N 1 1 11 2827 1 1 3 LEU O O -1.228 -2.719 -3.133 1.00 . A A . 3 LEU O 1 1 11 2828 1 1 4 LYS C C -2.586 -0.941 -1.822 1.00 . A A . 4 LYS C 1 1 11 2829 1 1 4 LYS CA C -1.258 -0.196 -1.967 1.00 . A A . 4 LYS CA 1 1 11 2830 1 1 4 LYS CB C -1.161 0.646 -3.241 1.00 . A A . 4 LYS CB 1 1 11 2831 1 1 4 LYS CD C -1.227 0.588 -5.762 1.00 . A A . 4 LYS CD 1 1 11 2832 1 1 4 LYS CE C -1.982 -0.182 -6.846 1.00 . A A . 4 LYS CE 1 1 11 2833 1 1 4 LYS CG C -1.102 -0.244 -4.483 1.00 . A A . 4 LYS CG 1 1 11 2834 1 1 4 LYS H H 0.636 -0.840 -1.387 1.00 . A A . 4 LYS H 1 1 11 2835 1 1 4 LYS HA H -1.149 0.484 -1.122 1.00 . A A . 4 LYS HA 1 1 11 2836 1 1 4 LYS HB2 H -2.020 1.312 -3.307 1.00 . A A . 4 LYS HB2 1 1 11 2837 1 1 4 LYS HB3 H -0.273 1.277 -3.198 1.00 . A A . 4 LYS HB3 1 1 11 2838 1 1 4 LYS HD2 H -1.747 1.521 -5.543 1.00 . A A . 4 LYS HD2 1 1 11 2839 1 1 4 LYS HD3 H -0.234 0.855 -6.124 1.00 . A A . 4 LYS HD3 1 1 11 2840 1 1 4 LYS HE2 H -1.514 -1.154 -7.004 1.00 . A A . 4 LYS HE2 1 1 11 2841 1 1 4 LYS HE3 H -3.005 -0.370 -6.521 1.00 . A A . 4 LYS HE3 1 1 11 2842 1 1 4 LYS HG2 H -0.162 -0.796 -4.496 1.00 . A A . 4 LYS HG2 1 1 11 2843 1 1 4 LYS HG3 H -1.904 -0.981 -4.445 1.00 . A A . 4 LYS HG3 1 1 11 2844 1 1 4 LYS HZ1 H -2.531 1.416 -7.995 1.00 . A A . 4 LYS HZ1 1 1 11 2845 1 1 4 LYS HZ2 H -1.054 0.825 -8.363 1.00 . A A . 4 LYS HZ2 1 1 11 2846 1 1 4 LYS HZ3 H -2.396 0.023 -8.837 1.00 . A A . 4 LYS HZ3 1 1 11 2847 1 1 4 LYS N N -0.163 -1.148 -1.903 1.00 . A A . 4 LYS N 1 1 11 2848 1 1 4 LYS NZ N -1.991 0.583 -8.114 1.00 . A A . 4 LYS NZ 1 1 11 2849 1 1 4 LYS O O -3.396 -0.959 -2.747 1.00 . A A . 4 LYS O 1 1 11 2850 1 1 5 LYS C C -5.113 -1.304 -0.048 1.00 . A A . 5 LYS C 1 1 11 2851 1 1 5 LYS CA C -3.984 -2.283 -0.375 1.00 . A A . 5 LYS CA 1 1 11 2852 1 1 5 LYS CB C -3.736 -3.324 0.719 1.00 . A A . 5 LYS CB 1 1 11 2853 1 1 5 LYS CD C -4.474 -5.396 -0.516 1.00 . A A . 5 LYS CD 1 1 11 2854 1 1 5 LYS CE C -5.160 -6.748 -0.311 1.00 . A A . 5 LYS CE 1 1 11 2855 1 1 5 LYS CG C -4.771 -4.449 0.650 1.00 . A A . 5 LYS CG 1 1 11 2856 1 1 5 LYS H H -2.105 -1.518 0.094 1.00 . A A . 5 LYS H 1 1 11 2857 1 1 5 LYS HA H -4.249 -2.826 -1.282 1.00 . A A . 5 LYS HA 1 1 11 2858 1 1 5 LYS HB2 H -2.735 -3.739 0.611 1.00 . A A . 5 LYS HB2 1 1 11 2859 1 1 5 LYS HB3 H -3.779 -2.845 1.697 1.00 . A A . 5 LYS HB3 1 1 11 2860 1 1 5 LYS HD2 H -4.815 -4.948 -1.449 1.00 . A A . 5 LYS HD2 1 1 11 2861 1 1 5 LYS HD3 H -3.397 -5.540 -0.606 1.00 . A A . 5 LYS HD3 1 1 11 2862 1 1 5 LYS HE2 H -4.436 -7.553 -0.440 1.00 . A A . 5 LYS HE2 1 1 11 2863 1 1 5 LYS HE3 H -5.538 -6.821 0.708 1.00 . A A . 5 LYS HE3 1 1 11 2864 1 1 5 LYS HG2 H -4.770 -5.007 1.586 1.00 . A A . 5 LYS HG2 1 1 11 2865 1 1 5 LYS HG3 H -5.768 -4.025 0.533 1.00 . A A . 5 LYS HG3 1 1 11 2866 1 1 5 LYS HZ1 H -6.120 -7.741 -1.818 1.00 . A A . 5 LYS HZ1 1 1 11 2867 1 1 5 LYS HZ2 H -7.135 -6.999 -0.774 1.00 . A A . 5 LYS HZ2 1 1 11 2868 1 1 5 LYS HZ3 H -6.313 -6.120 -1.877 1.00 . A A . 5 LYS HZ3 1 1 11 2869 1 1 5 LYS N N -2.768 -1.538 -0.653 1.00 . A A . 5 LYS N 1 1 11 2870 1 1 5 LYS NZ N -6.272 -6.916 -1.273 1.00 . A A . 5 LYS NZ 1 1 11 2871 1 1 5 LYS O O -5.312 -0.320 -0.759 1.00 . A A . 5 LYS O 1 1 11 2872 1 1 6 ARG C C -6.429 0.313 2.421 1.00 . A A . 6 ARG C 1 1 11 2873 1 1 6 ARG CA C -6.928 -0.767 1.458 1.00 . A A . 6 ARG CA 1 1 11 2874 1 1 6 ARG CB C -8.014 -1.594 2.148 1.00 . A A . 6 ARG CB 1 1 11 2875 1 1 6 ARG CD C -9.884 -1.258 3.808 1.00 . A A . 6 ARG CD 1 1 11 2876 1 1 6 ARG CG C -9.200 -0.716 2.551 1.00 . A A . 6 ARG CG 1 1 11 2877 1 1 6 ARG CZ C -9.870 -0.729 6.243 1.00 . A A . 6 ARG CZ 1 1 11 2878 1 1 6 ARG H H -5.656 -2.410 1.601 1.00 . A A . 6 ARG H 1 1 11 2879 1 1 6 ARG HA H -7.316 -0.325 0.540 1.00 . A A . 6 ARG HA 1 1 11 2880 1 1 6 ARG HB2 H -8.354 -2.385 1.481 1.00 . A A . 6 ARG HB2 1 1 11 2881 1 1 6 ARG HB3 H -7.600 -2.079 3.032 1.00 . A A . 6 ARG HB3 1 1 11 2882 1 1 6 ARG HD2 H -10.967 -1.208 3.694 1.00 . A A . 6 ARG HD2 1 1 11 2883 1 1 6 ARG HD3 H -9.626 -2.308 3.947 1.00 . A A . 6 ARG HD3 1 1 11 2884 1 1 6 ARG HE H -8.837 0.291 4.849 1.00 . A A . 6 ARG HE 1 1 11 2885 1 1 6 ARG HG2 H -8.857 0.304 2.732 1.00 . A A . 6 ARG HG2 1 1 11 2886 1 1 6 ARG HG3 H -9.918 -0.670 1.733 1.00 . A A . 6 ARG HG3 1 1 11 2887 1 1 6 ARG HH11 H -11.033 -2.315 5.725 1.00 . A A . 6 ARG HH11 1 1 11 2888 1 1 6 ARG HH12 H -11.013 -1.935 7.416 1.00 . A A . 6 ARG HH12 1 1 11 2889 1 1 6 ARG HH21 H -8.811 0.793 7.078 1.00 . A A . 6 ARG HH21 1 1 11 2890 1 1 6 ARG HH22 H -9.740 -0.155 8.189 1.00 . A A . 6 ARG HH22 1 1 11 2891 1 1 6 ARG N N -5.824 -1.607 1.029 1.00 . A A . 6 ARG N 1 1 11 2892 1 1 6 ARG NE N -9.463 -0.475 4.991 1.00 . A A . 6 ARG NE 1 1 11 2893 1 1 6 ARG NH1 N -10.709 -1.745 6.481 1.00 . A A . 6 ARG NH1 1 1 11 2894 1 1 6 ARG NH2 N -9.437 0.034 7.256 1.00 . A A . 6 ARG NH2 1 1 11 2895 1 1 6 ARG O O -5.964 0.005 3.517 1.00 . A A . 6 ARG O 1 1 11 2896 1 1 7 ARG C C -4.612 2.925 2.596 1.00 . A A . 7 ARG C 1 1 11 2897 1 1 7 ARG CA C -6.111 2.683 2.784 1.00 . A A . 7 ARG CA 1 1 11 2898 1 1 7 ARG CB C -6.400 2.440 4.267 1.00 . A A . 7 ARG CB 1 1 11 2899 1 1 7 ARG CD C -6.055 4.896 4.728 1.00 . A A . 7 ARG CD 1 1 11 2900 1 1 7 ARG CG C -6.981 3.695 4.924 1.00 . A A . 7 ARG CG 1 1 11 2901 1 1 7 ARG CZ C -6.484 6.404 6.665 1.00 . A A . 7 ARG CZ 1 1 11 2902 1 1 7 ARG H H -6.924 1.798 1.083 1.00 . A A . 7 ARG H 1 1 11 2903 1 1 7 ARG HA H -6.695 3.529 2.419 1.00 . A A . 7 ARG HA 1 1 11 2904 1 1 7 ARG HB2 H -7.099 1.612 4.374 1.00 . A A . 7 ARG HB2 1 1 11 2905 1 1 7 ARG HB3 H -5.482 2.150 4.778 1.00 . A A . 7 ARG HB3 1 1 11 2906 1 1 7 ARG HD2 H -5.075 4.684 5.156 1.00 . A A . 7 ARG HD2 1 1 11 2907 1 1 7 ARG HD3 H -5.905 5.080 3.665 1.00 . A A . 7 ARG HD3 1 1 11 2908 1 1 7 ARG HE H -7.182 6.714 4.803 1.00 . A A . 7 ARG HE 1 1 11 2909 1 1 7 ARG HG2 H -7.960 3.912 4.498 1.00 . A A . 7 ARG HG2 1 1 11 2910 1 1 7 ARG HG3 H -7.130 3.515 5.989 1.00 . A A . 7 ARG HG3 1 1 11 2911 1 1 7 ARG HH11 H -5.342 4.776 7.093 1.00 . A A . 7 ARG HH11 1 1 11 2912 1 1 7 ARG HH12 H -5.649 5.834 8.430 1.00 . A A . 7 ARG HH12 1 1 11 2913 1 1 7 ARG HH21 H -7.587 8.109 6.566 1.00 . A A . 7 ARG HH21 1 1 11 2914 1 1 7 ARG HH22 H -6.935 7.743 8.128 1.00 . A A . 7 ARG HH22 1 1 11 2915 1 1 7 ARG N N -6.544 1.556 1.976 1.00 . A A . 7 ARG N 1 1 11 2916 1 1 7 ARG NE N -6.639 6.095 5.371 1.00 . A A . 7 ARG NE 1 1 11 2917 1 1 7 ARG NH1 N -5.764 5.603 7.463 1.00 . A A . 7 ARG NH1 1 1 11 2918 1 1 7 ARG NH2 N -7.050 7.512 7.161 1.00 . A A . 7 ARG NH2 1 1 11 2919 1 1 7 ARG O O -4.109 4.000 2.918 1.00 . A A . 7 ARG O 1 1 11 2920 1 1 8 TRP C C -2.295 2.460 0.399 1.00 . A A . 8 TRP C 1 1 11 2921 1 1 8 TRP CA C -2.509 1.998 1.842 1.00 . A A . 8 TRP CA 1 1 11 2922 1 1 8 TRP CB C -1.820 0.668 2.153 1.00 . A A . 8 TRP CB 1 1 11 2923 1 1 8 TRP CD1 C -0.635 1.231 4.376 1.00 . A A . 8 TRP CD1 1 1 11 2924 1 1 8 TRP CD2 C -1.949 -0.547 4.511 1.00 . A A . 8 TRP CD2 1 1 11 2925 1 1 8 TRP CE2 C -1.383 -0.358 5.754 1.00 . A A . 8 TRP CE2 1 1 11 2926 1 1 8 TRP CE3 C -2.842 -1.605 4.266 1.00 . A A . 8 TRP CE3 1 1 11 2927 1 1 8 TRP CG C -1.460 0.484 3.629 1.00 . A A . 8 TRP CG 1 1 11 2928 1 1 8 TRP CH2 C -2.532 -2.249 6.631 1.00 . A A . 8 TRP CH2 1 1 11 2929 1 1 8 TRP CZ2 C -1.645 -1.188 6.851 1.00 . A A . 8 TRP CZ2 1 1 11 2930 1 1 8 TRP CZ3 C -3.093 -2.426 5.372 1.00 . A A . 8 TRP CZ3 1 1 11 2931 1 1 8 TRP H H -4.358 1.037 1.817 1.00 . A A . 8 TRP H 1 1 11 2932 1 1 8 TRP HA H -2.104 2.735 2.534 1.00 . A A . 8 TRP HA 1 1 11 2933 1 1 8 TRP HB2 H -2.471 -0.149 1.843 1.00 . A A . 8 TRP HB2 1 1 11 2934 1 1 8 TRP HB3 H -0.911 0.595 1.556 1.00 . A A . 8 TRP HB3 1 1 11 2935 1 1 8 TRP HD1 H -0.094 2.102 4.008 1.00 . A A . 8 TRP HD1 1 1 11 2936 1 1 8 TRP HE1 H 0.040 1.180 6.477 1.00 . A A . 8 TRP HE1 1 1 11 2937 1 1 8 TRP HE3 H -3.302 -1.776 3.293 1.00 . A A . 8 TRP HE3 1 1 11 2938 1 1 8 TRP HH2 H -2.779 -2.933 7.442 1.00 . A A . 8 TRP HH2 1 1 11 2939 1 1 8 TRP HZ2 H -1.184 -1.017 7.823 1.00 . A A . 8 TRP HZ2 1 1 11 2940 1 1 8 TRP HZ3 H -3.780 -3.263 5.236 1.00 . A A . 8 TRP HZ3 1 1 11 2941 1 1 8 TRP N N -3.941 1.908 2.077 1.00 . A A . 8 TRP N 1 1 11 2942 1 1 8 TRP NE1 N -0.558 0.758 5.670 1.00 . A A . 8 TRP NE1 1 1 11 2943 1 1 8 TRP O O -2.801 1.843 -0.536 1.00 . A A . 8 TRP O 1 1 11 2944 1 1 9 LYS C C -0.142 3.279 -1.707 1.00 . A A . 9 LYS C 1 1 11 2945 1 1 9 LYS CA C -1.255 4.095 -1.048 1.00 . A A . 9 LYS CA 1 1 11 2946 1 1 9 LYS CB C -0.943 5.589 -0.944 1.00 . A A . 9 LYS CB 1 1 11 2947 1 1 9 LYS CD C 0.850 6.984 0.151 1.00 . A A . 9 LYS CD 1 1 11 2948 1 1 9 LYS CE C 1.036 8.295 -0.614 1.00 . A A . 9 LYS CE 1 1 11 2949 1 1 9 LYS CG C 0.563 5.826 -0.808 1.00 . A A . 9 LYS CG 1 1 11 2950 1 1 9 LYS H H -1.136 4.040 1.031 1.00 . A A . 9 LYS H 1 1 11 2951 1 1 9 LYS HA H -2.159 3.996 -1.649 1.00 . A A . 9 LYS HA 1 1 11 2952 1 1 9 LYS HB2 H -1.318 6.106 -1.828 1.00 . A A . 9 LYS HB2 1 1 11 2953 1 1 9 LYS HB3 H -1.462 6.014 -0.084 1.00 . A A . 9 LYS HB3 1 1 11 2954 1 1 9 LYS HD2 H 0.030 7.086 0.861 1.00 . A A . 9 LYS HD2 1 1 11 2955 1 1 9 LYS HD3 H 1.748 6.766 0.731 1.00 . A A . 9 LYS HD3 1 1 11 2956 1 1 9 LYS HE2 H 1.801 8.171 -1.380 1.00 . A A . 9 LYS HE2 1 1 11 2957 1 1 9 LYS HE3 H 0.111 8.559 -1.127 1.00 . A A . 9 LYS HE3 1 1 11 2958 1 1 9 LYS HG2 H 1.045 4.920 -0.444 1.00 . A A . 9 LYS HG2 1 1 11 2959 1 1 9 LYS HG3 H 0.990 6.045 -1.786 1.00 . A A . 9 LYS HG3 1 1 11 2960 1 1 9 LYS HZ1 H 2.064 9.030 0.993 1.00 . A A . 9 LYS HZ1 1 1 11 2961 1 1 9 LYS HZ2 H 1.862 10.121 -0.206 1.00 . A A . 9 LYS HZ2 1 1 11 2962 1 1 9 LYS HZ3 H 0.609 9.738 0.770 1.00 . A A . 9 LYS HZ3 1 1 11 2963 1 1 9 LYS N N -1.544 3.543 0.265 1.00 . A A . 9 LYS N 1 1 11 2964 1 1 9 LYS NZ N 1.424 9.384 0.311 1.00 . A A . 9 LYS NZ 1 1 11 2965 1 1 9 LYS O O 0.182 2.183 -1.251 1.00 . A A . 9 LYS O 1 1 11 2966 1 1 10 LYS C C 2.384 2.441 -2.505 1.00 . A A . 10 LYS C 1 1 11 2967 1 1 10 LYS CA C 1.483 3.181 -3.497 1.00 . A A . 10 LYS CA 1 1 11 2968 1 1 10 LYS CB C 2.230 4.182 -4.379 1.00 . A A . 10 LYS CB 1 1 11 2969 1 1 10 LYS CD C 3.585 4.161 -6.506 1.00 . A A . 10 LYS CD 1 1 11 2970 1 1 10 LYS CE C 5.054 4.538 -6.700 1.00 . A A . 10 LYS CE 1 1 11 2971 1 1 10 LYS CG C 3.363 3.497 -5.146 1.00 . A A . 10 LYS CG 1 1 11 2972 1 1 10 LYS H H 0.143 4.734 -3.134 1.00 . A A . 10 LYS H 1 1 11 2973 1 1 10 LYS HA H 1.023 2.447 -4.159 1.00 . A A . 10 LYS HA 1 1 11 2974 1 1 10 LYS HB2 H 1.536 4.643 -5.082 1.00 . A A . 10 LYS HB2 1 1 11 2975 1 1 10 LYS HB3 H 2.637 4.983 -3.762 1.00 . A A . 10 LYS HB3 1 1 11 2976 1 1 10 LYS HD2 H 3.271 3.485 -7.301 1.00 . A A . 10 LYS HD2 1 1 11 2977 1 1 10 LYS HD3 H 2.964 5.054 -6.584 1.00 . A A . 10 LYS HD3 1 1 11 2978 1 1 10 LYS HE2 H 5.173 5.618 -6.619 1.00 . A A . 10 LYS HE2 1 1 11 2979 1 1 10 LYS HE3 H 5.657 4.090 -5.911 1.00 . A A . 10 LYS HE3 1 1 11 2980 1 1 10 LYS HG2 H 4.282 3.542 -4.562 1.00 . A A . 10 LYS HG2 1 1 11 2981 1 1 10 LYS HG3 H 3.126 2.442 -5.287 1.00 . A A . 10 LYS HG3 1 1 11 2982 1 1 10 LYS HZ1 H 4.755 3.899 -8.619 1.00 . A A . 10 LYS HZ1 1 1 11 2983 1 1 10 LYS HZ2 H 6.113 4.787 -8.431 1.00 . A A . 10 LYS HZ2 1 1 11 2984 1 1 10 LYS HZ3 H 6.070 3.239 -7.909 1.00 . A A . 10 LYS HZ3 1 1 11 2985 1 1 10 LYS N N 0.412 3.843 -2.769 1.00 . A A . 10 LYS N 1 1 11 2986 1 1 10 LYS NZ N 5.537 4.078 -8.022 1.00 . A A . 10 LYS NZ 1 1 11 2987 1 1 10 LYS O O 2.605 2.913 -1.391 1.00 . A A . 10 LYS O 1 1 11 2988 1 1 11 ALA C C 4.746 1.395 -1.390 1.00 . A A . 11 ALA C 1 1 11 2989 1 1 11 ALA CA C 3.751 0.485 -2.113 1.00 . A A . 11 ALA CA 1 1 11 2990 1 1 11 ALA CB C 4.447 -0.571 -2.975 1.00 . A A . 11 ALA CB 1 1 11 2991 1 1 11 ALA H H 2.694 0.918 -3.855 1.00 . A A . 11 ALA H 1 1 11 2992 1 1 11 ALA HA H 3.129 -0.019 -1.374 1.00 . A A . 11 ALA HA 1 1 11 2993 1 1 11 ALA HB1 H 5.119 -1.161 -2.354 1.00 . A A . 11 ALA HB1 1 1 11 2994 1 1 11 ALA HB2 H 3.698 -1.224 -3.424 1.00 . A A . 11 ALA HB2 1 1 11 2995 1 1 11 ALA HB3 H 5.018 -0.078 -3.762 1.00 . A A . 11 ALA HB3 1 1 11 2996 1 1 11 ALA N N 2.879 1.294 -2.947 1.00 . A A . 11 ALA N 1 1 11 2997 1 1 11 ALA O O 4.546 1.737 -0.225 1.00 . A A . 11 ALA O 1 1 11 2998 1 1 12 LYS C C 7.467 1.930 -0.349 1.00 . A A . 12 LYS C 1 1 11 2999 1 1 12 LYS CA C 6.823 2.624 -1.551 1.00 . A A . 12 LYS CA 1 1 11 3000 1 1 12 LYS CB C 6.245 4.003 -1.227 1.00 . A A . 12 LYS CB 1 1 11 3001 1 1 12 LYS CD C 5.262 5.709 -2.803 1.00 . A A . 12 LYS CD 1 1 11 3002 1 1 12 LYS CE C 5.166 7.108 -2.189 1.00 . A A . 12 LYS CE 1 1 11 3003 1 1 12 LYS CG C 6.540 4.998 -2.352 1.00 . A A . 12 LYS CG 1 1 11 3004 1 1 12 LYS H H 5.951 1.478 -3.057 1.00 . A A . 12 LYS H 1 1 11 3005 1 1 12 LYS HA H 7.585 2.766 -2.318 1.00 . A A . 12 LYS HA 1 1 11 3006 1 1 12 LYS HB2 H 5.167 3.925 -1.079 1.00 . A A . 12 LYS HB2 1 1 11 3007 1 1 12 LYS HB3 H 6.669 4.369 -0.293 1.00 . A A . 12 LYS HB3 1 1 11 3008 1 1 12 LYS HD2 H 5.248 5.785 -3.890 1.00 . A A . 12 LYS HD2 1 1 11 3009 1 1 12 LYS HD3 H 4.391 5.121 -2.513 1.00 . A A . 12 LYS HD3 1 1 11 3010 1 1 12 LYS HE2 H 4.167 7.512 -2.345 1.00 . A A . 12 LYS HE2 1 1 11 3011 1 1 12 LYS HE3 H 5.322 7.050 -1.111 1.00 . A A . 12 LYS HE3 1 1 11 3012 1 1 12 LYS HG2 H 7.268 5.734 -2.010 1.00 . A A . 12 LYS HG2 1 1 11 3013 1 1 12 LYS HG3 H 6.987 4.475 -3.197 1.00 . A A . 12 LYS HG3 1 1 11 3014 1 1 12 LYS HZ1 H 6.090 8.920 -2.389 1.00 . A A . 12 LYS HZ1 1 1 11 3015 1 1 12 LYS HZ2 H 7.090 7.650 -2.618 1.00 . A A . 12 LYS HZ2 1 1 11 3016 1 1 12 LYS HZ3 H 6.020 8.066 -3.779 1.00 . A A . 12 LYS HZ3 1 1 11 3017 1 1 12 LYS N N 5.797 1.761 -2.110 1.00 . A A . 12 LYS N 1 1 11 3018 1 1 12 LYS NZ N 6.173 8.009 -2.793 1.00 . A A . 12 LYS NZ 1 1 11 3019 1 1 12 LYS O O 6.881 1.121 0.369 1.00 . A A . 12 LYS O 1 1 11 3020 1 1 13 DPR C C 9.713 0.274 1.230 1.00 . A A . 13 DPR C 1 1 11 3021 1 1 13 DPR CA C 9.500 1.826 1.105 1.00 . A A . 13 DPR CA 1 1 11 3022 1 1 13 DPR CB C 10.791 2.663 0.970 1.00 . A A . 13 DPR CB 1 1 11 3023 1 1 13 DPR CD C 9.625 2.925 -1.126 1.00 . A A . 13 DPR CD 1 1 11 3024 1 1 13 DPR CG C 11.029 2.786 -0.537 1.00 . A A . 13 DPR CG 1 1 11 3025 1 1 13 DPR HA H 8.973 2.163 2.021 1.00 . A A . 13 DPR HA 1 1 11 3026 1 1 13 DPR HB2 H 11.653 2.216 1.500 1.00 . A A . 13 DPR HB2 1 1 11 3027 1 1 13 DPR HB3 H 10.639 3.667 1.415 1.00 . A A . 13 DPR HB3 1 1 11 3028 1 1 13 DPR HD2 H 9.550 2.442 -2.120 1.00 . A A . 13 DPR HD2 1 1 11 3029 1 1 13 DPR HD3 H 9.351 3.992 -1.244 1.00 . A A . 13 DPR HD3 1 1 11 3030 1 1 13 DPR HG2 H 11.691 3.631 -0.802 1.00 . A A . 13 DPR HG2 1 1 11 3031 1 1 13 DPR HG3 H 11.511 1.863 -0.918 1.00 . A A . 13 DPR HG3 1 1 11 3032 1 1 13 DPR N N 8.764 2.271 -0.117 1.00 . A A . 13 DPR N 1 1 11 3033 1 1 13 DPR O O 10.423 -0.353 0.441 1.00 . A A . 13 DPR O 1 1 11 3034 1 1 14 PRO C C 9.024 -2.842 1.537 1.00 . A A . 14 PRO C 1 1 11 3035 1 1 14 PRO CA C 9.368 -1.755 2.613 1.00 . A A . 14 PRO CA 1 1 11 3036 1 1 14 PRO CB C 8.583 -1.881 3.938 1.00 . A A . 14 PRO CB 1 1 11 3037 1 1 14 PRO CD C 8.087 0.336 3.096 1.00 . A A . 14 PRO CD 1 1 11 3038 1 1 14 PRO CG C 7.465 -0.832 3.865 1.00 . A A . 14 PRO CG 1 1 11 3039 1 1 14 PRO HA H 10.445 -1.884 2.843 1.00 . A A . 14 PRO HA 1 1 11 3040 1 1 14 PRO HB2 H 8.196 -2.902 4.122 1.00 . A A . 14 PRO HB2 1 1 11 3041 1 1 14 PRO HB3 H 9.254 -1.652 4.789 1.00 . A A . 14 PRO HB3 1 1 11 3042 1 1 14 PRO HD2 H 7.341 0.888 2.490 1.00 . A A . 14 PRO HD2 1 1 11 3043 1 1 14 PRO HD3 H 8.567 1.065 3.778 1.00 . A A . 14 PRO HD3 1 1 11 3044 1 1 14 PRO HG2 H 6.598 -1.234 3.308 1.00 . A A . 14 PRO HG2 1 1 11 3045 1 1 14 PRO HG3 H 7.096 -0.530 4.863 1.00 . A A . 14 PRO HG3 1 1 11 3046 1 1 14 PRO N N 9.102 -0.334 2.266 1.00 . A A . 14 PRO N 1 1 11 3047 1 1 14 PRO O O 9.857 -3.207 0.714 1.00 . A A . 14 PRO O 1 1 12 3048 1 1 1 THR C C 6.234 -0.045 2.416 1.00 . A A . 1 THR C 1 1 12 3049 1 1 1 THR CA C 7.675 0.409 2.177 1.00 . A A . 1 THR CA 1 1 12 3050 1 1 1 THR CB C 7.777 1.693 1.350 1.00 . A A . 1 THR CB 1 1 12 3051 1 1 1 THR CG2 C 7.746 2.953 2.216 1.00 . A A . 1 THR CG2 1 1 12 3052 1 1 1 THR H1 H 8.008 -0.969 0.652 1.00 . A A . 1 THR H1 1 1 12 3053 1 1 1 THR HA H 8.124 0.571 3.157 1.00 . A A . 1 THR HA 1 1 12 3054 1 1 1 THR HB H 7.002 1.725 0.585 1.00 . A A . 1 THR HB 1 1 12 3055 1 1 1 THR HG1 H 9.311 2.529 0.375 1.00 . A A . 1 THR HG1 1 1 12 3056 1 1 1 THR HG21 H 6.829 3.508 2.016 1.00 . A A . 1 THR HG21 1 1 12 3057 1 1 1 THR HG22 H 7.776 2.671 3.269 1.00 . A A . 1 THR HG22 1 1 12 3058 1 1 1 THR HG23 H 8.607 3.577 1.982 1.00 . A A . 1 THR HG23 1 1 12 3059 1 1 1 THR N N 8.427 -0.628 1.494 1.00 . A A . 1 THR N 1 1 12 3060 1 1 1 THR O O 5.994 -1.200 2.766 1.00 . A A . 1 THR O 1 1 12 3061 1 1 1 THR OG1 O 9.103 1.664 0.829 1.00 . A A . 1 THR OG1 1 1 12 3062 1 1 2 TRP C C 3.522 -0.543 1.451 1.00 . A A . 2 TRP C 1 1 12 3063 1 1 2 TRP CA C 3.901 0.594 2.403 1.00 . A A . 2 TRP CA 1 1 12 3064 1 1 2 TRP CB C 3.050 1.850 2.204 1.00 . A A . 2 TRP CB 1 1 12 3065 1 1 2 TRP CD1 C 4.535 3.137 3.877 1.00 . A A . 2 TRP CD1 1 1 12 3066 1 1 2 TRP CD2 C 2.683 4.225 3.333 1.00 . A A . 2 TRP CD2 1 1 12 3067 1 1 2 TRP CE2 C 3.378 5.015 4.224 1.00 . A A . 2 TRP CE2 1 1 12 3068 1 1 2 TRP CE3 C 1.451 4.638 2.793 1.00 . A A . 2 TRP CE3 1 1 12 3069 1 1 2 TRP CG C 3.438 3.015 3.116 1.00 . A A . 2 TRP CG 1 1 12 3070 1 1 2 TRP CH2 C 1.699 6.700 4.131 1.00 . A A . 2 TRP CH2 1 1 12 3071 1 1 2 TRP CZ2 C 2.924 6.268 4.655 1.00 . A A . 2 TRP CZ2 1 1 12 3072 1 1 2 TRP CZ3 C 1.011 5.892 3.234 1.00 . A A . 2 TRP CZ3 1 1 12 3073 1 1 2 TRP H H 5.516 1.822 1.930 1.00 . A A . 2 TRP H 1 1 12 3074 1 1 2 TRP HA H 3.761 0.276 3.436 1.00 . A A . 2 TRP HA 1 1 12 3075 1 1 2 TRP HB2 H 3.133 2.171 1.165 1.00 . A A . 2 TRP HB2 1 1 12 3076 1 1 2 TRP HB3 H 2.003 1.598 2.377 1.00 . A A . 2 TRP HB3 1 1 12 3077 1 1 2 TRP HD1 H 5.321 2.387 3.943 1.00 . A A . 2 TRP HD1 1 1 12 3078 1 1 2 TRP HE1 H 5.314 4.679 5.251 1.00 . A A . 2 TRP HE1 1 1 12 3079 1 1 2 TRP HE3 H 0.883 4.033 2.088 1.00 . A A . 2 TRP HE3 1 1 12 3080 1 1 2 TRP HH2 H 1.289 7.666 4.426 1.00 . A A . 2 TRP HH2 1 1 12 3081 1 1 2 TRP HZ2 H 3.493 6.874 5.360 1.00 . A A . 2 TRP HZ2 1 1 12 3082 1 1 2 TRP HZ3 H 0.061 6.261 2.847 1.00 . A A . 2 TRP HZ3 1 1 12 3083 1 1 2 TRP N N 5.312 0.885 2.214 1.00 . A A . 2 TRP N 1 1 12 3084 1 1 2 TRP NE1 N 4.540 4.333 4.566 1.00 . A A . 2 TRP NE1 1 1 12 3085 1 1 2 TRP O O 4.353 -1.010 0.675 1.00 . A A . 2 TRP O 1 1 12 3086 1 1 3 LEU C C 0.297 -1.760 0.360 1.00 . A A . 3 LEU C 1 1 12 3087 1 1 3 LEU CA C 1.765 -2.026 0.698 1.00 . A A . 3 LEU CA 1 1 12 3088 1 1 3 LEU CB C 2.009 -3.384 1.358 1.00 . A A . 3 LEU CB 1 1 12 3089 1 1 3 LEU CD1 C 3.053 -2.642 3.531 1.00 . A A . 3 LEU CD1 1 1 12 3090 1 1 3 LEU CD2 C 0.537 -2.911 3.350 1.00 . A A . 3 LEU CD2 1 1 12 3091 1 1 3 LEU CG C 1.903 -3.417 2.884 1.00 . A A . 3 LEU CG 1 1 12 3092 1 1 3 LEU H H 1.595 -0.567 2.176 1.00 . A A . 3 LEU H 1 1 12 3093 1 1 3 LEU HA H 2.342 -2.009 -0.228 1.00 . A A . 3 LEU HA 1 1 12 3094 1 1 3 LEU HB2 H 1.295 -4.098 0.948 1.00 . A A . 3 LEU HB2 1 1 12 3095 1 1 3 LEU HB3 H 3.003 -3.730 1.075 1.00 . A A . 3 LEU HB3 1 1 12 3096 1 1 3 LEU HD11 H 3.900 -2.610 2.845 1.00 . A A . 3 LEU HD11 1 1 12 3097 1 1 3 LEU HD12 H 2.727 -1.626 3.752 1.00 . A A . 3 LEU HD12 1 1 12 3098 1 1 3 LEU HD13 H 3.351 -3.137 4.454 1.00 . A A . 3 LEU HD13 1 1 12 3099 1 1 3 LEU HD21 H 0.422 -1.864 3.067 1.00 . A A . 3 LEU HD21 1 1 12 3100 1 1 3 LEU HD22 H -0.249 -3.502 2.881 1.00 . A A . 3 LEU HD22 1 1 12 3101 1 1 3 LEU HD23 H 0.465 -3.005 4.434 1.00 . A A . 3 LEU HD23 1 1 12 3102 1 1 3 LEU HG H 1.991 -4.453 3.210 1.00 . A A . 3 LEU HG 1 1 12 3103 1 1 3 LEU N N 2.265 -0.953 1.542 1.00 . A A . 3 LEU N 1 1 12 3104 1 1 3 LEU O O -0.595 -2.123 1.125 1.00 . A A . 3 LEU O 1 1 12 3105 1 1 4 LYS C C -2.122 -2.072 -1.162 1.00 . A A . 4 LYS C 1 1 12 3106 1 1 4 LYS CA C -1.253 -0.815 -1.237 1.00 . A A . 4 LYS CA 1 1 12 3107 1 1 4 LYS CB C -1.217 -0.174 -2.626 1.00 . A A . 4 LYS CB 1 1 12 3108 1 1 4 LYS CD C 0.539 -0.405 -4.421 1.00 . A A . 4 LYS CD 1 1 12 3109 1 1 4 LYS CE C 1.548 -1.411 -4.978 1.00 . A A . 4 LYS CE 1 1 12 3110 1 1 4 LYS CG C -0.573 -1.115 -3.647 1.00 . A A . 4 LYS CG 1 1 12 3111 1 1 4 LYS H H 0.823 -0.841 -1.405 1.00 . A A . 4 LYS H 1 1 12 3112 1 1 4 LYS HA H -1.660 -0.072 -0.551 1.00 . A A . 4 LYS HA 1 1 12 3113 1 1 4 LYS HB2 H -2.230 0.074 -2.943 1.00 . A A . 4 LYS HB2 1 1 12 3114 1 1 4 LYS HB3 H -0.659 0.761 -2.585 1.00 . A A . 4 LYS HB3 1 1 12 3115 1 1 4 LYS HD2 H 0.107 0.172 -5.238 1.00 . A A . 4 LYS HD2 1 1 12 3116 1 1 4 LYS HD3 H 1.049 0.302 -3.767 1.00 . A A . 4 LYS HD3 1 1 12 3117 1 1 4 LYS HE2 H 1.852 -2.103 -4.192 1.00 . A A . 4 LYS HE2 1 1 12 3118 1 1 4 LYS HE3 H 1.082 -2.006 -5.763 1.00 . A A . 4 LYS HE3 1 1 12 3119 1 1 4 LYS HG2 H -0.166 -1.988 -3.137 1.00 . A A . 4 LYS HG2 1 1 12 3120 1 1 4 LYS HG3 H -1.331 -1.477 -4.342 1.00 . A A . 4 LYS HG3 1 1 12 3121 1 1 4 LYS HZ1 H 3.014 0.010 -4.883 1.00 . A A . 4 LYS HZ1 1 1 12 3122 1 1 4 LYS HZ2 H 3.484 -1.364 -5.630 1.00 . A A . 4 LYS HZ2 1 1 12 3123 1 1 4 LYS HZ3 H 2.510 -0.307 -6.404 1.00 . A A . 4 LYS HZ3 1 1 12 3124 1 1 4 LYS N N 0.092 -1.132 -0.788 1.00 . A A . 4 LYS N 1 1 12 3125 1 1 4 LYS NZ N 2.735 -0.711 -5.518 1.00 . A A . 4 LYS NZ 1 1 12 3126 1 1 4 LYS O O -1.814 -3.081 -1.795 1.00 . A A . 4 LYS O 1 1 12 3127 1 1 5 LYS C C -5.529 -2.620 -0.514 1.00 . A A . 5 LYS C 1 1 12 3128 1 1 5 LYS CA C -4.104 -3.087 -0.217 1.00 . A A . 5 LYS CA 1 1 12 3129 1 1 5 LYS CB C -3.937 -3.713 1.169 1.00 . A A . 5 LYS CB 1 1 12 3130 1 1 5 LYS CD C -3.309 -6.073 0.540 1.00 . A A . 5 LYS CD 1 1 12 3131 1 1 5 LYS CE C -2.683 -6.994 1.589 1.00 . A A . 5 LYS CE 1 1 12 3132 1 1 5 LYS CG C -4.380 -5.178 1.165 1.00 . A A . 5 LYS CG 1 1 12 3133 1 1 5 LYS H H -3.431 -1.146 0.128 1.00 . A A . 5 LYS H 1 1 12 3134 1 1 5 LYS HA H -3.828 -3.846 -0.949 1.00 . A A . 5 LYS HA 1 1 12 3135 1 1 5 LYS HB2 H -2.895 -3.645 1.481 1.00 . A A . 5 LYS HB2 1 1 12 3136 1 1 5 LYS HB3 H -4.525 -3.154 1.898 1.00 . A A . 5 LYS HB3 1 1 12 3137 1 1 5 LYS HD2 H -3.750 -6.671 -0.257 1.00 . A A . 5 LYS HD2 1 1 12 3138 1 1 5 LYS HD3 H -2.535 -5.455 0.085 1.00 . A A . 5 LYS HD3 1 1 12 3139 1 1 5 LYS HE2 H -1.834 -7.524 1.156 1.00 . A A . 5 LYS HE2 1 1 12 3140 1 1 5 LYS HE3 H -2.299 -6.401 2.419 1.00 . A A . 5 LYS HE3 1 1 12 3141 1 1 5 LYS HG2 H -4.581 -5.503 2.186 1.00 . A A . 5 LYS HG2 1 1 12 3142 1 1 5 LYS HG3 H -5.312 -5.277 0.610 1.00 . A A . 5 LYS HG3 1 1 12 3143 1 1 5 LYS HZ1 H -4.084 -8.456 1.315 1.00 . A A . 5 LYS HZ1 1 1 12 3144 1 1 5 LYS HZ2 H -3.235 -8.618 2.699 1.00 . A A . 5 LYS HZ2 1 1 12 3145 1 1 5 LYS HZ3 H -4.400 -7.480 2.585 1.00 . A A . 5 LYS HZ3 1 1 12 3146 1 1 5 LYS N N -3.188 -1.970 -0.383 1.00 . A A . 5 LYS N 1 1 12 3147 1 1 5 LYS NZ N -3.682 -7.965 2.087 1.00 . A A . 5 LYS NZ 1 1 12 3148 1 1 5 LYS O O -6.090 -2.951 -1.558 1.00 . A A . 5 LYS O 1 1 12 3149 1 1 6 ARG C C -7.608 -0.078 1.115 1.00 . A A . 6 ARG C 1 1 12 3150 1 1 6 ARG CA C -7.427 -1.343 0.273 1.00 . A A . 6 ARG CA 1 1 12 3151 1 1 6 ARG CB C -8.464 -2.384 0.697 1.00 . A A . 6 ARG CB 1 1 12 3152 1 1 6 ARG CD C -10.742 -3.252 0.053 1.00 . A A . 6 ARG CD 1 1 12 3153 1 1 6 ARG CG C -9.857 -2.011 0.186 1.00 . A A . 6 ARG CG 1 1 12 3154 1 1 6 ARG CZ C -11.973 -2.837 -2.074 1.00 . A A . 6 ARG CZ 1 1 12 3155 1 1 6 ARG H H -5.614 -1.592 1.267 1.00 . A A . 6 ARG H 1 1 12 3156 1 1 6 ARG HA H -7.526 -1.123 -0.791 1.00 . A A . 6 ARG HA 1 1 12 3157 1 1 6 ARG HB2 H -8.181 -3.364 0.310 1.00 . A A . 6 ARG HB2 1 1 12 3158 1 1 6 ARG HB3 H -8.480 -2.464 1.784 1.00 . A A . 6 ARG HB3 1 1 12 3159 1 1 6 ARG HD2 H -10.238 -4.116 0.485 1.00 . A A . 6 ARG HD2 1 1 12 3160 1 1 6 ARG HD3 H -11.667 -3.110 0.612 1.00 . A A . 6 ARG HD3 1 1 12 3161 1 1 6 ARG HE H -10.529 -4.221 -1.842 1.00 . A A . 6 ARG HE 1 1 12 3162 1 1 6 ARG HG2 H -10.321 -1.300 0.870 1.00 . A A . 6 ARG HG2 1 1 12 3163 1 1 6 ARG HG3 H -9.773 -1.515 -0.781 1.00 . A A . 6 ARG HG3 1 1 12 3164 1 1 6 ARG HH11 H -12.534 -1.648 -0.522 1.00 . A A . 6 ARG HH11 1 1 12 3165 1 1 6 ARG HH12 H -13.381 -1.372 -2.008 1.00 . A A . 6 ARG HH12 1 1 12 3166 1 1 6 ARG HH21 H -11.646 -3.857 -3.802 1.00 . A A . 6 ARG HH21 1 1 12 3167 1 1 6 ARG HH22 H -12.872 -2.636 -3.886 1.00 . A A . 6 ARG HH22 1 1 12 3168 1 1 6 ARG N N -6.076 -1.858 0.421 1.00 . A A . 6 ARG N 1 1 12 3169 1 1 6 ARG NE N -11.047 -3.506 -1.372 1.00 . A A . 6 ARG NE 1 1 12 3170 1 1 6 ARG NH1 N -12.691 -1.871 -1.485 1.00 . A A . 6 ARG NH1 1 1 12 3171 1 1 6 ARG NH2 N -12.181 -3.135 -3.363 1.00 . A A . 6 ARG NH2 1 1 12 3172 1 1 6 ARG O O -8.552 0.019 1.898 1.00 . A A . 6 ARG O 1 1 12 3173 1 1 7 ARG C C -5.344 2.739 1.728 1.00 . A A . 7 ARG C 1 1 12 3174 1 1 7 ARG CA C -6.738 2.112 1.657 1.00 . A A . 7 ARG CA 1 1 12 3175 1 1 7 ARG CB C -7.267 1.900 3.078 1.00 . A A . 7 ARG CB 1 1 12 3176 1 1 7 ARG CD C -8.940 3.379 4.248 1.00 . A A . 7 ARG CD 1 1 12 3177 1 1 7 ARG CG C -8.739 2.302 3.180 1.00 . A A . 7 ARG CG 1 1 12 3178 1 1 7 ARG CZ C -7.991 5.630 4.742 1.00 . A A . 7 ARG CZ 1 1 12 3179 1 1 7 ARG H H -5.927 0.771 0.285 1.00 . A A . 7 ARG H 1 1 12 3180 1 1 7 ARG HA H -7.423 2.741 1.089 1.00 . A A . 7 ARG HA 1 1 12 3181 1 1 7 ARG HB2 H -7.151 0.854 3.360 1.00 . A A . 7 ARG HB2 1 1 12 3182 1 1 7 ARG HB3 H -6.675 2.488 3.780 1.00 . A A . 7 ARG HB3 1 1 12 3183 1 1 7 ARG HD2 H -9.985 3.689 4.271 1.00 . A A . 7 ARG HD2 1 1 12 3184 1 1 7 ARG HD3 H -8.706 2.975 5.233 1.00 . A A . 7 ARG HD3 1 1 12 3185 1 1 7 ARG HE H -7.515 4.520 3.131 1.00 . A A . 7 ARG HE 1 1 12 3186 1 1 7 ARG HG2 H -9.087 2.671 2.216 1.00 . A A . 7 ARG HG2 1 1 12 3187 1 1 7 ARG HG3 H -9.342 1.427 3.423 1.00 . A A . 7 ARG HG3 1 1 12 3188 1 1 7 ARG HH11 H -9.328 4.952 6.117 1.00 . A A . 7 ARG HH11 1 1 12 3189 1 1 7 ARG HH12 H -8.659 6.516 6.447 1.00 . A A . 7 ARG HH12 1 1 12 3190 1 1 7 ARG HH21 H -6.633 6.583 3.566 1.00 . A A . 7 ARG HH21 1 1 12 3191 1 1 7 ARG HH22 H -7.116 7.449 4.986 1.00 . A A . 7 ARG HH22 1 1 12 3192 1 1 7 ARG N N -6.691 0.858 0.924 1.00 . A A . 7 ARG N 1 1 12 3193 1 1 7 ARG NE N -8.074 4.545 3.961 1.00 . A A . 7 ARG NE 1 1 12 3194 1 1 7 ARG NH1 N -8.721 5.705 5.863 1.00 . A A . 7 ARG NH1 1 1 12 3195 1 1 7 ARG NH2 N -7.178 6.639 4.403 1.00 . A A . 7 ARG NH2 1 1 12 3196 1 1 7 ARG O O -5.212 3.947 1.914 1.00 . A A . 7 ARG O 1 1 12 3197 1 1 8 TRP C C -2.583 2.840 0.221 1.00 . A A . 8 TRP C 1 1 12 3198 1 1 8 TRP CA C -2.961 2.344 1.618 1.00 . A A . 8 TRP CA 1 1 12 3199 1 1 8 TRP CB C -2.034 1.239 2.130 1.00 . A A . 8 TRP CB 1 1 12 3200 1 1 8 TRP CD1 C -1.822 1.609 4.676 1.00 . A A . 8 TRP CD1 1 1 12 3201 1 1 8 TRP CD2 C -2.892 -0.258 4.149 1.00 . A A . 8 TRP CD2 1 1 12 3202 1 1 8 TRP CE2 C -2.848 -0.182 5.526 1.00 . A A . 8 TRP CE2 1 1 12 3203 1 1 8 TRP CE3 C -3.510 -1.338 3.494 1.00 . A A . 8 TRP CE3 1 1 12 3204 1 1 8 TRP CG C -2.226 0.904 3.611 1.00 . A A . 8 TRP CG 1 1 12 3205 1 1 8 TRP CH2 C -4.025 -2.239 5.735 1.00 . A A . 8 TRP CH2 1 1 12 3206 1 1 8 TRP CZ2 C -3.404 -1.155 6.366 1.00 . A A . 8 TRP CZ2 1 1 12 3207 1 1 8 TRP CZ3 C -4.061 -2.301 4.347 1.00 . A A . 8 TRP CZ3 1 1 12 3208 1 1 8 TRP H H -4.456 0.907 1.423 1.00 . A A . 8 TRP H 1 1 12 3209 1 1 8 TRP HA H -2.903 3.164 2.333 1.00 . A A . 8 TRP HA 1 1 12 3210 1 1 8 TRP HB2 H -2.199 0.339 1.540 1.00 . A A . 8 TRP HB2 1 1 12 3211 1 1 8 TRP HB3 H -0.999 1.543 1.968 1.00 . A A . 8 TRP HB3 1 1 12 3212 1 1 8 TRP HD1 H -1.281 2.554 4.617 1.00 . A A . 8 TRP HD1 1 1 12 3213 1 1 8 TRP HE1 H -1.969 1.352 6.863 1.00 . A A . 8 TRP HE1 1 1 12 3214 1 1 8 TRP HE3 H -3.558 -1.421 2.408 1.00 . A A . 8 TRP HE3 1 1 12 3215 1 1 8 TRP HH2 H -4.478 -3.032 6.331 1.00 . A A . 8 TRP HH2 1 1 12 3216 1 1 8 TRP HZ2 H -3.356 -1.072 7.452 1.00 . A A . 8 TRP HZ2 1 1 12 3217 1 1 8 TRP HZ3 H -4.552 -3.160 3.891 1.00 . A A . 8 TRP HZ3 1 1 12 3218 1 1 8 TRP N N -4.340 1.889 1.574 1.00 . A A . 8 TRP N 1 1 12 3219 1 1 8 TRP NE1 N -2.176 0.989 5.857 1.00 . A A . 8 TRP NE1 1 1 12 3220 1 1 8 TRP O O -3.363 2.709 -0.720 1.00 . A A . 8 TRP O 1 1 12 3221 1 1 9 LYS C C 0.633 4.006 -1.088 1.00 . A A . 9 LYS C 1 1 12 3222 1 1 9 LYS CA C -0.894 3.918 -1.135 1.00 . A A . 9 LYS CA 1 1 12 3223 1 1 9 LYS CB C -1.577 5.246 -1.472 1.00 . A A . 9 LYS CB 1 1 12 3224 1 1 9 LYS CD C -3.385 5.062 -3.220 1.00 . A A . 9 LYS CD 1 1 12 3225 1 1 9 LYS CE C -3.837 5.684 -4.543 1.00 . A A . 9 LYS CE 1 1 12 3226 1 1 9 LYS CG C -1.901 5.331 -2.965 1.00 . A A . 9 LYS CG 1 1 12 3227 1 1 9 LYS H H -0.757 3.505 0.901 1.00 . A A . 9 LYS H 1 1 12 3228 1 1 9 LYS HA H -1.175 3.205 -1.910 1.00 . A A . 9 LYS HA 1 1 12 3229 1 1 9 LYS HB2 H -2.493 5.346 -0.891 1.00 . A A . 9 LYS HB2 1 1 12 3230 1 1 9 LYS HB3 H -0.928 6.074 -1.190 1.00 . A A . 9 LYS HB3 1 1 12 3231 1 1 9 LYS HD2 H -3.564 3.987 -3.240 1.00 . A A . 9 LYS HD2 1 1 12 3232 1 1 9 LYS HD3 H -3.978 5.469 -2.402 1.00 . A A . 9 LYS HD3 1 1 12 3233 1 1 9 LYS HE2 H -4.620 6.419 -4.359 1.00 . A A . 9 LYS HE2 1 1 12 3234 1 1 9 LYS HE3 H -3.004 6.215 -5.005 1.00 . A A . 9 LYS HE3 1 1 12 3235 1 1 9 LYS HG2 H -1.638 6.321 -3.342 1.00 . A A . 9 LYS HG2 1 1 12 3236 1 1 9 LYS HG3 H -1.297 4.610 -3.515 1.00 . A A . 9 LYS HG3 1 1 12 3237 1 1 9 LYS HZ1 H -4.290 4.974 -6.405 1.00 . A A . 9 LYS HZ1 1 1 12 3238 1 1 9 LYS HZ2 H -3.772 3.817 -5.373 1.00 . A A . 9 LYS HZ2 1 1 12 3239 1 1 9 LYS HZ3 H -5.285 4.418 -5.234 1.00 . A A . 9 LYS HZ3 1 1 12 3240 1 1 9 LYS N N -1.385 3.401 0.131 1.00 . A A . 9 LYS N 1 1 12 3241 1 1 9 LYS NZ N -4.336 4.638 -5.463 1.00 . A A . 9 LYS NZ 1 1 12 3242 1 1 9 LYS O O 1.242 3.732 -0.055 1.00 . A A . 9 LYS O 1 1 12 3243 1 1 10 LYS C C 3.314 3.427 -1.475 1.00 . A A . 10 LYS C 1 1 12 3244 1 1 10 LYS CA C 2.651 4.517 -2.319 1.00 . A A . 10 LYS CA 1 1 12 3245 1 1 10 LYS CB C 3.090 5.934 -1.949 1.00 . A A . 10 LYS CB 1 1 12 3246 1 1 10 LYS CD C 5.303 5.815 -3.152 1.00 . A A . 10 LYS CD 1 1 12 3247 1 1 10 LYS CE C 5.292 7.108 -3.972 1.00 . A A . 10 LYS CE 1 1 12 3248 1 1 10 LYS CG C 4.611 6.016 -1.803 1.00 . A A . 10 LYS CG 1 1 12 3249 1 1 10 LYS H H 0.703 4.610 -3.054 1.00 . A A . 10 LYS H 1 1 12 3250 1 1 10 LYS HA H 2.921 4.358 -3.363 1.00 . A A . 10 LYS HA 1 1 12 3251 1 1 10 LYS HB2 H 2.757 6.635 -2.715 1.00 . A A . 10 LYS HB2 1 1 12 3252 1 1 10 LYS HB3 H 2.615 6.234 -1.014 1.00 . A A . 10 LYS HB3 1 1 12 3253 1 1 10 LYS HD2 H 6.331 5.490 -2.993 1.00 . A A . 10 LYS HD2 1 1 12 3254 1 1 10 LYS HD3 H 4.801 5.023 -3.709 1.00 . A A . 10 LYS HD3 1 1 12 3255 1 1 10 LYS HE2 H 5.111 7.959 -3.316 1.00 . A A . 10 LYS HE2 1 1 12 3256 1 1 10 LYS HE3 H 6.267 7.261 -4.433 1.00 . A A . 10 LYS HE3 1 1 12 3257 1 1 10 LYS HG2 H 4.889 6.985 -1.388 1.00 . A A . 10 LYS HG2 1 1 12 3258 1 1 10 LYS HG3 H 4.954 5.258 -1.098 1.00 . A A . 10 LYS HG3 1 1 12 3259 1 1 10 LYS HZ1 H 4.199 7.927 -5.492 1.00 . A A . 10 LYS HZ1 1 1 12 3260 1 1 10 LYS HZ2 H 4.471 6.328 -5.674 1.00 . A A . 10 LYS HZ2 1 1 12 3261 1 1 10 LYS HZ3 H 3.363 6.851 -4.594 1.00 . A A . 10 LYS HZ3 1 1 12 3262 1 1 10 LYS N N 1.206 4.389 -2.218 1.00 . A A . 10 LYS N 1 1 12 3263 1 1 10 LYS NZ N 4.246 7.049 -5.018 1.00 . A A . 10 LYS NZ 1 1 12 3264 1 1 10 LYS O O 3.694 3.668 -0.330 1.00 . A A . 10 LYS O 1 1 12 3265 1 1 11 ALA C C 5.411 0.833 -2.017 1.00 . A A . 11 ALA C 1 1 12 3266 1 1 11 ALA CA C 4.045 1.123 -1.391 1.00 . A A . 11 ALA CA 1 1 12 3267 1 1 11 ALA CB C 3.106 -0.084 -1.457 1.00 . A A . 11 ALA CB 1 1 12 3268 1 1 11 ALA H H 3.122 2.062 -3.005 1.00 . A A . 11 ALA H 1 1 12 3269 1 1 11 ALA HA H 4.184 1.401 -0.347 1.00 . A A . 11 ALA HA 1 1 12 3270 1 1 11 ALA HB1 H 3.692 -1.002 -1.421 1.00 . A A . 11 ALA HB1 1 1 12 3271 1 1 11 ALA HB2 H 2.420 -0.058 -0.611 1.00 . A A . 11 ALA HB2 1 1 12 3272 1 1 11 ALA HB3 H 2.538 -0.052 -2.387 1.00 . A A . 11 ALA HB3 1 1 12 3273 1 1 11 ALA N N 3.433 2.250 -2.073 1.00 . A A . 11 ALA N 1 1 12 3274 1 1 11 ALA O O 6.425 0.815 -1.320 1.00 . A A . 11 ALA O 1 1 12 3275 1 1 12 LYS C C 7.505 -0.589 -3.204 1.00 . A A . 12 LYS C 1 1 12 3276 1 1 12 LYS CA C 6.619 0.327 -4.049 1.00 . A A . 12 LYS CA 1 1 12 3277 1 1 12 LYS CB C 7.307 1.626 -4.475 1.00 . A A . 12 LYS CB 1 1 12 3278 1 1 12 LYS CD C 7.039 1.691 -6.982 1.00 . A A . 12 LYS CD 1 1 12 3279 1 1 12 LYS CE C 7.663 2.594 -8.048 1.00 . A A . 12 LYS CE 1 1 12 3280 1 1 12 LYS CG C 8.010 1.458 -5.822 1.00 . A A . 12 LYS CG 1 1 12 3281 1 1 12 LYS H H 4.565 0.631 -3.882 1.00 . A A . 12 LYS H 1 1 12 3282 1 1 12 LYS HA H 6.342 -0.204 -4.960 1.00 . A A . 12 LYS HA 1 1 12 3283 1 1 12 LYS HB2 H 6.571 2.427 -4.543 1.00 . A A . 12 LYS HB2 1 1 12 3284 1 1 12 LYS HB3 H 8.031 1.923 -3.717 1.00 . A A . 12 LYS HB3 1 1 12 3285 1 1 12 LYS HD2 H 6.762 0.734 -7.426 1.00 . A A . 12 LYS HD2 1 1 12 3286 1 1 12 LYS HD3 H 6.122 2.144 -6.606 1.00 . A A . 12 LYS HD3 1 1 12 3287 1 1 12 LYS HE2 H 6.879 3.041 -8.658 1.00 . A A . 12 LYS HE2 1 1 12 3288 1 1 12 LYS HE3 H 8.199 3.413 -7.569 1.00 . A A . 12 LYS HE3 1 1 12 3289 1 1 12 LYS HG2 H 8.841 2.160 -5.894 1.00 . A A . 12 LYS HG2 1 1 12 3290 1 1 12 LYS HG3 H 8.433 0.456 -5.894 1.00 . A A . 12 LYS HG3 1 1 12 3291 1 1 12 LYS HZ1 H 8.953 1.046 -8.388 1.00 . A A . 12 LYS HZ1 1 1 12 3292 1 1 12 LYS HZ2 H 8.097 1.485 -9.708 1.00 . A A . 12 LYS HZ2 1 1 12 3293 1 1 12 LYS HZ3 H 9.342 2.410 -9.197 1.00 . A A . 12 LYS HZ3 1 1 12 3294 1 1 12 LYS N N 5.393 0.615 -3.323 1.00 . A A . 12 LYS N 1 1 12 3295 1 1 12 LYS NZ N 8.588 1.821 -8.905 1.00 . A A . 12 LYS NZ 1 1 12 3296 1 1 12 LYS O O 8.529 -0.214 -2.632 1.00 . A A . 12 LYS O 1 1 12 3297 1 1 13 DPR C C 7.962 -2.906 -0.912 1.00 . A A . 13 DPR C 1 1 12 3298 1 1 13 DPR CA C 7.906 -2.949 -2.482 1.00 . A A . 13 DPR CA 1 1 12 3299 1 1 13 DPR CB C 7.242 -4.206 -3.085 1.00 . A A . 13 DPR CB 1 1 12 3300 1 1 13 DPR CD C 5.799 -2.365 -3.669 1.00 . A A . 13 DPR CD 1 1 12 3301 1 1 13 DPR CG C 5.766 -3.835 -3.252 1.00 . A A . 13 DPR CG 1 1 12 3302 1 1 13 DPR HA H 8.951 -2.910 -2.852 1.00 . A A . 13 DPR HA 1 1 12 3303 1 1 13 DPR HB2 H 7.383 -5.111 -2.462 1.00 . A A . 13 DPR HB2 1 1 12 3304 1 1 13 DPR HB3 H 7.692 -4.436 -4.072 1.00 . A A . 13 DPR HB3 1 1 12 3305 1 1 13 DPR HD2 H 4.931 -1.807 -3.267 1.00 . A A . 13 DPR HD2 1 1 12 3306 1 1 13 DPR HD3 H 5.781 -2.268 -4.773 1.00 . A A . 13 DPR HD3 1 1 12 3307 1 1 13 DPR HG2 H 5.239 -4.476 -3.981 1.00 . A A . 13 DPR HG2 1 1 12 3308 1 1 13 DPR HG3 H 5.239 -3.943 -2.283 1.00 . A A . 13 DPR HG3 1 1 12 3309 1 1 13 DPR N N 7.083 -1.880 -3.119 1.00 . A A . 13 DPR N 1 1 12 3310 1 1 13 DPR O O 6.958 -3.072 -0.217 1.00 . A A . 13 DPR O 1 1 12 3311 1 1 14 PRO C C 8.624 -1.848 2.046 1.00 . A A . 14 PRO C 1 1 12 3312 1 1 14 PRO CA C 9.405 -2.828 1.104 1.00 . A A . 14 PRO CA 1 1 12 3313 1 1 14 PRO CB C 10.944 -2.700 1.167 1.00 . A A . 14 PRO CB 1 1 12 3314 1 1 14 PRO CD C 10.354 -2.305 -1.149 1.00 . A A . 14 PRO CD 1 1 12 3315 1 1 14 PRO CG C 11.349 -1.883 -0.067 1.00 . A A . 14 PRO CG 1 1 12 3316 1 1 14 PRO HA H 9.135 -3.850 1.436 1.00 . A A . 14 PRO HA 1 1 12 3317 1 1 14 PRO HB2 H 11.308 -2.252 2.112 1.00 . A A . 14 PRO HB2 1 1 12 3318 1 1 14 PRO HB3 H 11.401 -3.708 1.112 1.00 . A A . 14 PRO HB3 1 1 12 3319 1 1 14 PRO HD2 H 10.128 -1.486 -1.859 1.00 . A A . 14 PRO HD2 1 1 12 3320 1 1 14 PRO HD3 H 10.730 -3.164 -1.739 1.00 . A A . 14 PRO HD3 1 1 12 3321 1 1 14 PRO HG2 H 11.247 -0.800 0.141 1.00 . A A . 14 PRO HG2 1 1 12 3322 1 1 14 PRO HG3 H 12.399 -2.055 -0.369 1.00 . A A . 14 PRO HG3 1 1 12 3323 1 1 14 PRO N N 9.176 -2.705 -0.360 1.00 . A A . 14 PRO N 1 1 12 3324 1 1 14 PRO O O 8.567 -2.040 3.255 1.00 . A A . 14 PRO O 1 1 13 3325 1 1 1 THR C C 6.375 -2.858 0.924 1.00 . A A . 1 THR C 1 1 13 3326 1 1 1 THR CA C 7.216 -4.097 0.606 1.00 . A A . 1 THR CA 1 1 13 3327 1 1 1 THR CB C 7.134 -5.179 1.684 1.00 . A A . 1 THR CB 1 1 13 3328 1 1 1 THR CG2 C 5.727 -5.764 1.823 1.00 . A A . 1 THR CG2 1 1 13 3329 1 1 1 THR H1 H 9.268 -4.445 0.688 1.00 . A A . 1 THR H1 1 1 13 3330 1 1 1 THR HA H 6.850 -4.497 -0.339 1.00 . A A . 1 THR HA 1 1 13 3331 1 1 1 THR HB H 7.495 -4.803 2.641 1.00 . A A . 1 THR HB 1 1 13 3332 1 1 1 THR HG1 H 8.743 -6.370 1.690 1.00 . A A . 1 THR HG1 1 1 13 3333 1 1 1 THR HG21 H 5.699 -6.446 2.671 1.00 . A A . 1 THR HG21 1 1 13 3334 1 1 1 THR HG22 H 5.013 -4.956 1.983 1.00 . A A . 1 THR HG22 1 1 13 3335 1 1 1 THR HG23 H 5.466 -6.304 0.913 1.00 . A A . 1 THR HG23 1 1 13 3336 1 1 1 THR N N 8.612 -3.732 0.440 1.00 . A A . 1 THR N 1 1 13 3337 1 1 1 THR O O 6.704 -2.096 1.831 1.00 . A A . 1 THR O 1 1 13 3338 1 1 1 THR OG1 O 7.906 -6.254 1.156 1.00 . A A . 1 THR OG1 1 1 13 3339 1 1 2 TRP C C 3.250 -2.020 1.229 1.00 . A A . 2 TRP C 1 1 13 3340 1 1 2 TRP CA C 4.415 -1.564 0.348 1.00 . A A . 2 TRP CA 1 1 13 3341 1 1 2 TRP CB C 3.959 -0.995 -0.997 1.00 . A A . 2 TRP CB 1 1 13 3342 1 1 2 TRP CD1 C 5.068 -2.609 -2.679 1.00 . A A . 2 TRP CD1 1 1 13 3343 1 1 2 TRP CD2 C 2.866 -2.507 -2.887 1.00 . A A . 2 TRP CD2 1 1 13 3344 1 1 2 TRP CE2 C 3.330 -3.396 -3.835 1.00 . A A . 2 TRP CE2 1 1 13 3345 1 1 2 TRP CE3 C 1.495 -2.220 -2.761 1.00 . A A . 2 TRP CE3 1 1 13 3346 1 1 2 TRP CG C 3.997 -2.005 -2.146 1.00 . A A . 2 TRP CG 1 1 13 3347 1 1 2 TRP CH2 C 1.120 -3.799 -4.622 1.00 . A A . 2 TRP CH2 1 1 13 3348 1 1 2 TRP CZ2 C 2.490 -4.071 -4.729 1.00 . A A . 2 TRP CZ2 1 1 13 3349 1 1 2 TRP CZ3 C 0.669 -2.902 -3.662 1.00 . A A . 2 TRP CZ3 1 1 13 3350 1 1 2 TRP H H 5.043 -3.321 -0.576 1.00 . A A . 2 TRP H 1 1 13 3351 1 1 2 TRP HA H 4.977 -0.778 0.851 1.00 . A A . 2 TRP HA 1 1 13 3352 1 1 2 TRP HB2 H 2.942 -0.615 -0.894 1.00 . A A . 2 TRP HB2 1 1 13 3353 1 1 2 TRP HB3 H 4.592 -0.144 -1.253 1.00 . A A . 2 TRP HB3 1 1 13 3354 1 1 2 TRP HD1 H 6.093 -2.448 -2.343 1.00 . A A . 2 TRP HD1 1 1 13 3355 1 1 2 TRP HE1 H 5.388 -4.070 -4.301 1.00 . A A . 2 TRP HE1 1 1 13 3356 1 1 2 TRP HE3 H 1.104 -1.521 -2.020 1.00 . A A . 2 TRP HE3 1 1 13 3357 1 1 2 TRP HH2 H 0.411 -4.291 -5.288 1.00 . A A . 2 TRP HH2 1 1 13 3358 1 1 2 TRP HZ2 H 2.880 -4.768 -5.469 1.00 . A A . 2 TRP HZ2 1 1 13 3359 1 1 2 TRP HZ3 H -0.403 -2.714 -3.607 1.00 . A A . 2 TRP HZ3 1 1 13 3360 1 1 2 TRP N N 5.305 -2.697 0.159 1.00 . A A . 2 TRP N 1 1 13 3361 1 1 2 TRP NE1 N 4.712 -3.460 -3.703 1.00 . A A . 2 TRP NE1 1 1 13 3362 1 1 2 TRP O O 3.036 -1.477 2.312 1.00 . A A . 2 TRP O 1 1 13 3363 1 1 3 LEU C C 0.194 -2.607 1.294 1.00 . A A . 3 LEU C 1 1 13 3364 1 1 3 LEU CA C 1.389 -3.548 1.460 1.00 . A A . 3 LEU CA 1 1 13 3365 1 1 3 LEU CB C 1.764 -3.815 2.919 1.00 . A A . 3 LEU CB 1 1 13 3366 1 1 3 LEU CD1 C -0.153 -3.220 4.445 1.00 . A A . 3 LEU CD1 1 1 13 3367 1 1 3 LEU CD2 C 2.225 -2.621 5.091 1.00 . A A . 3 LEU CD2 1 1 13 3368 1 1 3 LEU CG C 1.233 -2.810 3.943 1.00 . A A . 3 LEU CG 1 1 13 3369 1 1 3 LEU H H 2.707 -3.449 -0.151 1.00 . A A . 3 LEU H 1 1 13 3370 1 1 3 LEU HA H 1.136 -4.508 1.011 1.00 . A A . 3 LEU HA 1 1 13 3371 1 1 3 LEU HB2 H 1.402 -4.807 3.191 1.00 . A A . 3 LEU HB2 1 1 13 3372 1 1 3 LEU HB3 H 2.851 -3.841 2.995 1.00 . A A . 3 LEU HB3 1 1 13 3373 1 1 3 LEU HD11 H -0.855 -2.402 4.281 1.00 . A A . 3 LEU HD11 1 1 13 3374 1 1 3 LEU HD12 H -0.490 -4.103 3.901 1.00 . A A . 3 LEU HD12 1 1 13 3375 1 1 3 LEU HD13 H -0.102 -3.447 5.510 1.00 . A A . 3 LEU HD13 1 1 13 3376 1 1 3 LEU HD21 H 1.696 -2.676 6.042 1.00 . A A . 3 LEU HD21 1 1 13 3377 1 1 3 LEU HD22 H 2.982 -3.405 5.051 1.00 . A A . 3 LEU HD22 1 1 13 3378 1 1 3 LEU HD23 H 2.706 -1.647 4.999 1.00 . A A . 3 LEU HD23 1 1 13 3379 1 1 3 LEU HG H 1.124 -1.845 3.449 1.00 . A A . 3 LEU HG 1 1 13 3380 1 1 3 LEU N N 2.527 -3.013 0.731 1.00 . A A . 3 LEU N 1 1 13 3381 1 1 3 LEU O O -0.867 -2.836 1.874 1.00 . A A . 3 LEU O 1 1 13 3382 1 1 4 LYS C C -1.694 -1.201 -0.672 1.00 . A A . 4 LYS C 1 1 13 3383 1 1 4 LYS CA C -0.639 -0.589 0.254 1.00 . A A . 4 LYS CA 1 1 13 3384 1 1 4 LYS CB C -0.039 0.715 -0.276 1.00 . A A . 4 LYS CB 1 1 13 3385 1 1 4 LYS CD C 0.637 1.769 1.914 1.00 . A A . 4 LYS CD 1 1 13 3386 1 1 4 LYS CE C 1.475 1.271 3.092 1.00 . A A . 4 LYS CE 1 1 13 3387 1 1 4 LYS CG C 1.133 1.172 0.595 1.00 . A A . 4 LYS CG 1 1 13 3388 1 1 4 LYS H H 1.273 -1.386 0.035 1.00 . A A . 4 LYS H 1 1 13 3389 1 1 4 LYS HA H -1.109 -0.363 1.211 1.00 . A A . 4 LYS HA 1 1 13 3390 1 1 4 LYS HB2 H 0.299 0.575 -1.302 1.00 . A A . 4 LYS HB2 1 1 13 3391 1 1 4 LYS HB3 H -0.806 1.490 -0.296 1.00 . A A . 4 LYS HB3 1 1 13 3392 1 1 4 LYS HD2 H 0.682 2.857 1.865 1.00 . A A . 4 LYS HD2 1 1 13 3393 1 1 4 LYS HD3 H -0.409 1.502 2.067 1.00 . A A . 4 LYS HD3 1 1 13 3394 1 1 4 LYS HE2 H 0.903 1.357 4.015 1.00 . A A . 4 LYS HE2 1 1 13 3395 1 1 4 LYS HE3 H 1.709 0.214 2.958 1.00 . A A . 4 LYS HE3 1 1 13 3396 1 1 4 LYS HG2 H 1.791 0.327 0.800 1.00 . A A . 4 LYS HG2 1 1 13 3397 1 1 4 LYS HG3 H 1.724 1.913 0.057 1.00 . A A . 4 LYS HG3 1 1 13 3398 1 1 4 LYS HZ1 H 2.868 2.577 2.365 1.00 . A A . 4 LYS HZ1 1 1 13 3399 1 1 4 LYS HZ2 H 2.664 2.675 3.982 1.00 . A A . 4 LYS HZ2 1 1 13 3400 1 1 4 LYS HZ3 H 3.499 1.428 3.338 1.00 . A A . 4 LYS HZ3 1 1 13 3401 1 1 4 LYS N N 0.406 -1.567 0.502 1.00 . A A . 4 LYS N 1 1 13 3402 1 1 4 LYS NZ N 2.729 2.051 3.203 1.00 . A A . 4 LYS NZ 1 1 13 3403 1 1 4 LYS O O -1.685 -0.954 -1.877 1.00 . A A . 4 LYS O 1 1 13 3404 1 1 5 LYS C C -4.990 -2.226 -0.252 1.00 . A A . 5 LYS C 1 1 13 3405 1 1 5 LYS CA C -3.634 -2.635 -0.828 1.00 . A A . 5 LYS CA 1 1 13 3406 1 1 5 LYS CB C -3.414 -4.150 -0.866 1.00 . A A . 5 LYS CB 1 1 13 3407 1 1 5 LYS CD C -3.511 -5.677 -2.870 1.00 . A A . 5 LYS CD 1 1 13 3408 1 1 5 LYS CE C -3.641 -7.160 -2.515 1.00 . A A . 5 LYS CE 1 1 13 3409 1 1 5 LYS CG C -4.322 -4.809 -1.906 1.00 . A A . 5 LYS CG 1 1 13 3410 1 1 5 LYS H H -2.575 -2.183 0.908 1.00 . A A . 5 LYS H 1 1 13 3411 1 1 5 LYS HA H -3.570 -2.275 -1.854 1.00 . A A . 5 LYS HA 1 1 13 3412 1 1 5 LYS HB2 H -2.371 -4.364 -1.100 1.00 . A A . 5 LYS HB2 1 1 13 3413 1 1 5 LYS HB3 H -3.613 -4.575 0.118 1.00 . A A . 5 LYS HB3 1 1 13 3414 1 1 5 LYS HD2 H -3.855 -5.513 -3.891 1.00 . A A . 5 LYS HD2 1 1 13 3415 1 1 5 LYS HD3 H -2.462 -5.382 -2.836 1.00 . A A . 5 LYS HD3 1 1 13 3416 1 1 5 LYS HE2 H -2.897 -7.737 -3.064 1.00 . A A . 5 LYS HE2 1 1 13 3417 1 1 5 LYS HE3 H -3.438 -7.305 -1.454 1.00 . A A . 5 LYS HE3 1 1 13 3418 1 1 5 LYS HG2 H -5.072 -5.421 -1.404 1.00 . A A . 5 LYS HG2 1 1 13 3419 1 1 5 LYS HG3 H -4.858 -4.042 -2.465 1.00 . A A . 5 LYS HG3 1 1 13 3420 1 1 5 LYS HZ1 H -5.679 -7.028 -2.455 1.00 . A A . 5 LYS HZ1 1 1 13 3421 1 1 5 LYS HZ2 H -5.109 -7.699 -3.831 1.00 . A A . 5 LYS HZ2 1 1 13 3422 1 1 5 LYS HZ3 H -5.124 -8.564 -2.447 1.00 . A A . 5 LYS HZ3 1 1 13 3423 1 1 5 LYS N N -2.575 -1.987 -0.073 1.00 . A A . 5 LYS N 1 1 13 3424 1 1 5 LYS NZ N -4.998 -7.653 -2.838 1.00 . A A . 5 LYS NZ 1 1 13 3425 1 1 5 LYS O O -5.729 -3.063 0.264 1.00 . A A . 5 LYS O 1 1 13 3426 1 1 6 ARG C C -6.552 1.119 0.018 1.00 . A A . 6 ARG C 1 1 13 3427 1 1 6 ARG CA C -6.533 -0.405 0.143 1.00 . A A . 6 ARG CA 1 1 13 3428 1 1 6 ARG CB C -6.746 -0.791 1.609 1.00 . A A . 6 ARG CB 1 1 13 3429 1 1 6 ARG CD C -8.446 -1.440 3.355 1.00 . A A . 6 ARG CD 1 1 13 3430 1 1 6 ARG CG C -8.204 -1.178 1.867 1.00 . A A . 6 ARG CG 1 1 13 3431 1 1 6 ARG CZ C -9.513 -3.690 3.458 1.00 . A A . 6 ARG CZ 1 1 13 3432 1 1 6 ARG H H -4.672 -0.261 -0.781 1.00 . A A . 6 ARG H 1 1 13 3433 1 1 6 ARG HA H -7.300 -0.861 -0.483 1.00 . A A . 6 ARG HA 1 1 13 3434 1 1 6 ARG HB2 H -6.094 -1.625 1.867 1.00 . A A . 6 ARG HB2 1 1 13 3435 1 1 6 ARG HB3 H -6.468 0.043 2.252 1.00 . A A . 6 ARG HB3 1 1 13 3436 1 1 6 ARG HD2 H -7.673 -0.955 3.949 1.00 . A A . 6 ARG HD2 1 1 13 3437 1 1 6 ARG HD3 H -9.399 -1.009 3.658 1.00 . A A . 6 ARG HD3 1 1 13 3438 1 1 6 ARG HE H -7.594 -3.315 3.938 1.00 . A A . 6 ARG HE 1 1 13 3439 1 1 6 ARG HG2 H -8.862 -0.380 1.523 1.00 . A A . 6 ARG HG2 1 1 13 3440 1 1 6 ARG HG3 H -8.455 -2.070 1.292 1.00 . A A . 6 ARG HG3 1 1 13 3441 1 1 6 ARG HH11 H -10.743 -2.195 2.836 1.00 . A A . 6 ARG HH11 1 1 13 3442 1 1 6 ARG HH12 H -11.471 -3.765 2.912 1.00 . A A . 6 ARG HH12 1 1 13 3443 1 1 6 ARG HH21 H -8.553 -5.387 4.039 1.00 . A A . 6 ARG HH21 1 1 13 3444 1 1 6 ARG HH22 H -10.216 -5.593 3.601 1.00 . A A . 6 ARG HH22 1 1 13 3445 1 1 6 ARG N N -5.278 -0.936 -0.360 1.00 . A A . 6 ARG N 1 1 13 3446 1 1 6 ARG NE N -8.444 -2.897 3.619 1.00 . A A . 6 ARG NE 1 1 13 3447 1 1 6 ARG NH1 N -10.673 -3.173 3.032 1.00 . A A . 6 ARG NH1 1 1 13 3448 1 1 6 ARG NH2 N -9.419 -5.001 3.721 1.00 . A A . 6 ARG NH2 1 1 13 3449 1 1 6 ARG O O -5.905 1.681 -0.865 1.00 . A A . 6 ARG O 1 1 13 3450 1 1 7 ARG C C -6.030 3.834 0.790 1.00 . A A . 7 ARG C 1 1 13 3451 1 1 7 ARG CA C -7.414 3.195 0.912 1.00 . A A . 7 ARG CA 1 1 13 3452 1 1 7 ARG CB C -8.088 3.695 2.192 1.00 . A A . 7 ARG CB 1 1 13 3453 1 1 7 ARG CD C -9.323 5.727 3.030 1.00 . A A . 7 ARG CD 1 1 13 3454 1 1 7 ARG CG C -9.161 4.738 1.874 1.00 . A A . 7 ARG CG 1 1 13 3455 1 1 7 ARG CZ C -11.115 7.290 3.776 1.00 . A A . 7 ARG CZ 1 1 13 3456 1 1 7 ARG H H -7.825 1.281 1.627 1.00 . A A . 7 ARG H 1 1 13 3457 1 1 7 ARG HA H -8.031 3.426 0.045 1.00 . A A . 7 ARG HA 1 1 13 3458 1 1 7 ARG HB2 H -8.537 2.856 2.723 1.00 . A A . 7 ARG HB2 1 1 13 3459 1 1 7 ARG HB3 H -7.339 4.128 2.855 1.00 . A A . 7 ARG HB3 1 1 13 3460 1 1 7 ARG HD2 H -9.408 5.187 3.973 1.00 . A A . 7 ARG HD2 1 1 13 3461 1 1 7 ARG HD3 H -8.439 6.361 3.105 1.00 . A A . 7 ARG HD3 1 1 13 3462 1 1 7 ARG HE H -10.925 6.584 1.900 1.00 . A A . 7 ARG HE 1 1 13 3463 1 1 7 ARG HG2 H -8.892 5.277 0.966 1.00 . A A . 7 ARG HG2 1 1 13 3464 1 1 7 ARG HG3 H -10.111 4.241 1.681 1.00 . A A . 7 ARG HG3 1 1 13 3465 1 1 7 ARG HH11 H -9.802 6.749 5.231 1.00 . A A . 7 ARG HH11 1 1 13 3466 1 1 7 ARG HH12 H -11.054 7.836 5.734 1.00 . A A . 7 ARG HH12 1 1 13 3467 1 1 7 ARG HH21 H -12.577 8.017 2.563 1.00 . A A . 7 ARG HH21 1 1 13 3468 1 1 7 ARG HH22 H -12.642 8.562 4.206 1.00 . A A . 7 ARG HH22 1 1 13 3469 1 1 7 ARG N N -7.302 1.746 0.913 1.00 . A A . 7 ARG N 1 1 13 3470 1 1 7 ARG NE N -10.527 6.562 2.818 1.00 . A A . 7 ARG NE 1 1 13 3471 1 1 7 ARG NH1 N -10.615 7.292 5.019 1.00 . A A . 7 ARG NH1 1 1 13 3472 1 1 7 ARG NH2 N -12.204 8.018 3.492 1.00 . A A . 7 ARG NH2 1 1 13 3473 1 1 7 ARG O O -5.908 4.981 0.360 1.00 . A A . 7 ARG O 1 1 13 3474 1 1 8 TRP C C -3.200 3.499 -0.349 1.00 . A A . 8 TRP C 1 1 13 3475 1 1 8 TRP CA C -3.650 3.544 1.112 1.00 . A A . 8 TRP CA 1 1 13 3476 1 1 8 TRP CB C -2.745 2.733 2.042 1.00 . A A . 8 TRP CB 1 1 13 3477 1 1 8 TRP CD1 C -2.657 3.903 4.340 1.00 . A A . 8 TRP CD1 1 1 13 3478 1 1 8 TRP CD2 C -3.856 2.042 4.353 1.00 . A A . 8 TRP CD2 1 1 13 3479 1 1 8 TRP CE2 C -3.891 2.563 5.631 1.00 . A A . 8 TRP CE2 1 1 13 3480 1 1 8 TRP CE3 C -4.529 0.850 4.030 1.00 . A A . 8 TRP CE3 1 1 13 3481 1 1 8 TRP CG C -3.057 2.916 3.528 1.00 . A A . 8 TRP CG 1 1 13 3482 1 1 8 TRP CH2 C -5.261 0.771 6.389 1.00 . A A . 8 TRP CH2 1 1 13 3483 1 1 8 TRP CZ2 C -4.583 1.959 6.687 1.00 . A A . 8 TRP CZ2 1 1 13 3484 1 1 8 TRP CZ3 C -5.217 0.259 5.097 1.00 . A A . 8 TRP CZ3 1 1 13 3485 1 1 8 TRP H H -5.130 2.135 1.522 1.00 . A A . 8 TRP H 1 1 13 3486 1 1 8 TRP HA H -3.639 4.571 1.475 1.00 . A A . 8 TRP HA 1 1 13 3487 1 1 8 TRP HB2 H -2.834 1.676 1.789 1.00 . A A . 8 TRP HB2 1 1 13 3488 1 1 8 TRP HB3 H -1.709 3.017 1.861 1.00 . A A . 8 TRP HB3 1 1 13 3489 1 1 8 TRP HD1 H -2.030 4.738 4.027 1.00 . A A . 8 TRP HD1 1 1 13 3490 1 1 8 TRP HE1 H -2.959 4.390 6.472 1.00 . A A . 8 TRP HE1 1 1 13 3491 1 1 8 TRP HE3 H -4.518 0.418 3.030 1.00 . A A . 8 TRP HE3 1 1 13 3492 1 1 8 TRP HH2 H -5.820 0.250 7.165 1.00 . A A . 8 TRP HH2 1 1 13 3493 1 1 8 TRP HZ2 H -4.594 2.391 7.688 1.00 . A A . 8 TRP HZ2 1 1 13 3494 1 1 8 TRP HZ3 H -5.756 -0.668 4.901 1.00 . A A . 8 TRP HZ3 1 1 13 3495 1 1 8 TRP N N -5.021 3.065 1.174 1.00 . A A . 8 TRP N 1 1 13 3496 1 1 8 TRP NE1 N -3.137 3.731 5.623 1.00 . A A . 8 TRP NE1 1 1 13 3497 1 1 8 TRP O O -3.205 4.519 -1.035 1.00 . A A . 8 TRP O 1 1 13 3498 1 1 9 LYS C C -1.515 3.311 -2.572 1.00 . A A . 9 LYS C 1 1 13 3499 1 1 9 LYS CA C -2.369 2.114 -2.150 1.00 . A A . 9 LYS CA 1 1 13 3500 1 1 9 LYS CB C -3.558 1.849 -3.075 1.00 . A A . 9 LYS CB 1 1 13 3501 1 1 9 LYS CD C -3.873 3.404 -5.036 1.00 . A A . 9 LYS CD 1 1 13 3502 1 1 9 LYS CE C -2.981 4.147 -6.033 1.00 . A A . 9 LYS CE 1 1 13 3503 1 1 9 LYS CG C -3.190 2.130 -4.534 1.00 . A A . 9 LYS CG 1 1 13 3504 1 1 9 LYS H H -2.821 1.479 -0.218 1.00 . A A . 9 LYS H 1 1 13 3505 1 1 9 LYS HA H -1.744 1.221 -2.165 1.00 . A A . 9 LYS HA 1 1 13 3506 1 1 9 LYS HB2 H -3.882 0.814 -2.972 1.00 . A A . 9 LYS HB2 1 1 13 3507 1 1 9 LYS HB3 H -4.399 2.477 -2.782 1.00 . A A . 9 LYS HB3 1 1 13 3508 1 1 9 LYS HD2 H -4.821 3.150 -5.510 1.00 . A A . 9 LYS HD2 1 1 13 3509 1 1 9 LYS HD3 H -4.102 4.055 -4.193 1.00 . A A . 9 LYS HD3 1 1 13 3510 1 1 9 LYS HE2 H -2.243 4.742 -5.496 1.00 . A A . 9 LYS HE2 1 1 13 3511 1 1 9 LYS HE3 H -2.430 3.430 -6.642 1.00 . A A . 9 LYS HE3 1 1 13 3512 1 1 9 LYS HG2 H -2.109 2.231 -4.626 1.00 . A A . 9 LYS HG2 1 1 13 3513 1 1 9 LYS HG3 H -3.486 1.285 -5.156 1.00 . A A . 9 LYS HG3 1 1 13 3514 1 1 9 LYS HZ1 H -4.677 4.586 -7.085 1.00 . A A . 9 LYS HZ1 1 1 13 3515 1 1 9 LYS HZ2 H -3.946 5.901 -6.448 1.00 . A A . 9 LYS HZ2 1 1 13 3516 1 1 9 LYS HZ3 H -3.315 5.174 -7.768 1.00 . A A . 9 LYS HZ3 1 1 13 3517 1 1 9 LYS N N -2.822 2.305 -0.783 1.00 . A A . 9 LYS N 1 1 13 3518 1 1 9 LYS NZ N -3.795 5.023 -6.904 1.00 . A A . 9 LYS NZ 1 1 13 3519 1 1 9 LYS O O -2.026 4.268 -3.151 1.00 . A A . 9 LYS O 1 1 13 3520 1 1 10 LYS C C 2.084 3.682 -2.860 1.00 . A A . 10 LYS C 1 1 13 3521 1 1 10 LYS CA C 0.700 4.282 -2.605 1.00 . A A . 10 LYS CA 1 1 13 3522 1 1 10 LYS CB C 0.690 5.368 -1.527 1.00 . A A . 10 LYS CB 1 1 13 3523 1 1 10 LYS CD C 0.227 7.847 -1.506 1.00 . A A . 10 LYS CD 1 1 13 3524 1 1 10 LYS CE C 0.825 8.332 -0.184 1.00 . A A . 10 LYS CE 1 1 13 3525 1 1 10 LYS CG C 1.075 6.727 -2.114 1.00 . A A . 10 LYS CG 1 1 13 3526 1 1 10 LYS H H 0.177 2.436 -1.793 1.00 . A A . 10 LYS H 1 1 13 3527 1 1 10 LYS HA H 0.347 4.742 -3.528 1.00 . A A . 10 LYS HA 1 1 13 3528 1 1 10 LYS HB2 H -0.302 5.429 -1.077 1.00 . A A . 10 LYS HB2 1 1 13 3529 1 1 10 LYS HB3 H 1.385 5.101 -0.731 1.00 . A A . 10 LYS HB3 1 1 13 3530 1 1 10 LYS HD2 H 0.162 8.679 -2.206 1.00 . A A . 10 LYS HD2 1 1 13 3531 1 1 10 LYS HD3 H -0.789 7.489 -1.340 1.00 . A A . 10 LYS HD3 1 1 13 3532 1 1 10 LYS HE2 H 1.543 7.600 0.187 1.00 . A A . 10 LYS HE2 1 1 13 3533 1 1 10 LYS HE3 H 1.371 9.261 -0.344 1.00 . A A . 10 LYS HE3 1 1 13 3534 1 1 10 LYS HG2 H 2.131 6.923 -1.926 1.00 . A A . 10 LYS HG2 1 1 13 3535 1 1 10 LYS HG3 H 0.941 6.712 -3.195 1.00 . A A . 10 LYS HG3 1 1 13 3536 1 1 10 LYS HZ1 H -0.654 7.664 1.058 1.00 . A A . 10 LYS HZ1 1 1 13 3537 1 1 10 LYS HZ2 H 0.152 8.958 1.641 1.00 . A A . 10 LYS HZ2 1 1 13 3538 1 1 10 LYS HZ3 H -0.941 9.149 0.442 1.00 . A A . 10 LYS HZ3 1 1 13 3539 1 1 10 LYS N N -0.229 3.219 -2.264 1.00 . A A . 10 LYS N 1 1 13 3540 1 1 10 LYS NZ N -0.241 8.542 0.821 1.00 . A A . 10 LYS NZ 1 1 13 3541 1 1 10 LYS O O 2.494 3.527 -4.009 1.00 . A A . 10 LYS O 1 1 13 3542 1 1 11 ALA C C 4.830 2.992 -0.536 1.00 . A A . 11 ALA C 1 1 13 3543 1 1 11 ALA CA C 4.094 2.781 -1.861 1.00 . A A . 11 ALA CA 1 1 13 3544 1 1 11 ALA CB C 4.839 3.398 -3.047 1.00 . A A . 11 ALA CB 1 1 13 3545 1 1 11 ALA H H 2.423 3.491 -0.839 1.00 . A A . 11 ALA H 1 1 13 3546 1 1 11 ALA HA H 3.978 1.712 -2.037 1.00 . A A . 11 ALA HA 1 1 13 3547 1 1 11 ALA HB1 H 4.545 4.441 -3.159 1.00 . A A . 11 ALA HB1 1 1 13 3548 1 1 11 ALA HB2 H 5.913 3.340 -2.870 1.00 . A A . 11 ALA HB2 1 1 13 3549 1 1 11 ALA HB3 H 4.591 2.850 -3.956 1.00 . A A . 11 ALA HB3 1 1 13 3550 1 1 11 ALA N N 2.764 3.360 -1.769 1.00 . A A . 11 ALA N 1 1 13 3551 1 1 11 ALA O O 4.454 3.855 0.256 1.00 . A A . 11 ALA O 1 1 13 3552 1 1 12 LYS C C 7.685 1.145 0.895 1.00 . A A . 12 LYS C 1 1 13 3553 1 1 12 LYS CA C 6.656 2.277 0.878 1.00 . A A . 12 LYS CA 1 1 13 3554 1 1 12 LYS CB C 5.748 2.302 2.110 1.00 . A A . 12 LYS CB 1 1 13 3555 1 1 12 LYS CD C 5.514 3.348 4.391 1.00 . A A . 12 LYS CD 1 1 13 3556 1 1 12 LYS CE C 6.544 2.581 5.223 1.00 . A A . 12 LYS CE 1 1 13 3557 1 1 12 LYS CG C 6.007 3.548 2.958 1.00 . A A . 12 LYS CG 1 1 13 3558 1 1 12 LYS H H 6.163 1.490 -0.986 1.00 . A A . 12 LYS H 1 1 13 3559 1 1 12 LYS HA H 7.189 3.228 0.853 1.00 . A A . 12 LYS HA 1 1 13 3560 1 1 12 LYS HB2 H 4.704 2.281 1.797 1.00 . A A . 12 LYS HB2 1 1 13 3561 1 1 12 LYS HB3 H 5.918 1.407 2.709 1.00 . A A . 12 LYS HB3 1 1 13 3562 1 1 12 LYS HD2 H 5.318 4.316 4.852 1.00 . A A . 12 LYS HD2 1 1 13 3563 1 1 12 LYS HD3 H 4.571 2.803 4.383 1.00 . A A . 12 LYS HD3 1 1 13 3564 1 1 12 LYS HE2 H 6.091 2.248 6.158 1.00 . A A . 12 LYS HE2 1 1 13 3565 1 1 12 LYS HE3 H 6.862 1.687 4.687 1.00 . A A . 12 LYS HE3 1 1 13 3566 1 1 12 LYS HG2 H 7.074 3.773 2.964 1.00 . A A . 12 LYS HG2 1 1 13 3567 1 1 12 LYS HG3 H 5.504 4.407 2.513 1.00 . A A . 12 LYS HG3 1 1 13 3568 1 1 12 LYS HZ1 H 7.408 4.323 5.854 1.00 . A A . 12 LYS HZ1 1 1 13 3569 1 1 12 LYS HZ2 H 8.291 2.994 6.201 1.00 . A A . 12 LYS HZ2 1 1 13 3570 1 1 12 LYS HZ3 H 8.247 3.569 4.674 1.00 . A A . 12 LYS HZ3 1 1 13 3571 1 1 12 LYS N N 5.864 2.190 -0.337 1.00 . A A . 12 LYS N 1 1 13 3572 1 1 12 LYS NZ N 7.718 3.436 5.511 1.00 . A A . 12 LYS NZ 1 1 13 3573 1 1 12 LYS O O 7.625 0.179 1.656 1.00 . A A . 12 LYS O 1 1 13 3574 1 1 13 DPR C C 9.583 -1.106 -0.513 1.00 . A A . 13 DPR C 1 1 13 3575 1 1 13 DPR CA C 9.875 0.357 -0.018 1.00 . A A . 13 DPR CA 1 1 13 3576 1 1 13 DPR CB C 10.849 1.171 -0.898 1.00 . A A . 13 DPR CB 1 1 13 3577 1 1 13 DPR CD C 8.718 2.287 -1.081 1.00 . A A . 13 DPR CD 1 1 13 3578 1 1 13 DPR CG C 9.955 1.913 -1.896 1.00 . A A . 13 DPR CG 1 1 13 3579 1 1 13 DPR HA H 10.320 0.281 0.994 1.00 . A A . 13 DPR HA 1 1 13 3580 1 1 13 DPR HB2 H 11.610 0.541 -1.397 1.00 . A A . 13 DPR HB2 1 1 13 3581 1 1 13 DPR HB3 H 11.407 1.896 -0.273 1.00 . A A . 13 DPR HB3 1 1 13 3582 1 1 13 DPR HD2 H 7.801 2.266 -1.700 1.00 . A A . 13 DPR HD2 1 1 13 3583 1 1 13 DPR HD3 H 8.819 3.308 -0.659 1.00 . A A . 13 DPR HD3 1 1 13 3584 1 1 13 DPR HG2 H 10.452 2.791 -2.351 1.00 . A A . 13 DPR HG2 1 1 13 3585 1 1 13 DPR HG3 H 9.674 1.233 -2.725 1.00 . A A . 13 DPR HG3 1 1 13 3586 1 1 13 DPR N N 8.696 1.274 -0.005 1.00 . A A . 13 DPR N 1 1 13 3587 1 1 13 DPR O O 8.496 -1.426 -0.998 1.00 . A A . 13 DPR O 1 1 13 3588 1 1 14 PRO C C 9.425 -4.323 -0.458 1.00 . A A . 14 PRO C 1 1 13 3589 1 1 14 PRO CA C 10.521 -3.348 -1.007 1.00 . A A . 14 PRO CA 1 1 13 3590 1 1 14 PRO CB C 11.976 -3.830 -0.811 1.00 . A A . 14 PRO CB 1 1 13 3591 1 1 14 PRO CD C 11.846 -1.687 0.311 1.00 . A A . 14 PRO CD 1 1 13 3592 1 1 14 PRO CG C 12.515 -3.058 0.402 1.00 . A A . 14 PRO CG 1 1 13 3593 1 1 14 PRO HA H 10.336 -3.262 -2.096 1.00 . A A . 14 PRO HA 1 1 13 3594 1 1 14 PRO HB2 H 12.062 -4.928 -0.689 1.00 . A A . 14 PRO HB2 1 1 13 3595 1 1 14 PRO HB3 H 12.575 -3.576 -1.708 1.00 . A A . 14 PRO HB3 1 1 13 3596 1 1 14 PRO HD2 H 11.662 -1.238 1.307 1.00 . A A . 14 PRO HD2 1 1 13 3597 1 1 14 PRO HD3 H 12.459 -0.969 -0.270 1.00 . A A . 14 PRO HD3 1 1 13 3598 1 1 14 PRO HG2 H 12.218 -3.565 1.341 1.00 . A A . 14 PRO HG2 1 1 13 3599 1 1 14 PRO HG3 H 13.618 -2.990 0.410 1.00 . A A . 14 PRO HG3 1 1 13 3600 1 1 14 PRO N N 10.595 -1.989 -0.408 1.00 . A A . 14 PRO N 1 1 13 3601 1 1 14 PRO O O 9.117 -5.341 -1.069 1.00 . A A . 14 PRO O 1 1 14 3602 1 1 1 THR C C 6.023 -3.171 0.798 1.00 . A A . 1 THR C 1 1 14 3603 1 1 1 THR CA C 6.999 -3.847 -0.168 1.00 . A A . 1 THR CA 1 1 14 3604 1 1 1 THR CB C 7.039 -5.369 -0.025 1.00 . A A . 1 THR CB 1 1 14 3605 1 1 1 THR CG2 C 7.508 -5.815 1.362 1.00 . A A . 1 THR CG2 1 1 14 3606 1 1 1 THR H1 H 9.048 -4.043 0.146 1.00 . A A . 1 THR H1 1 1 14 3607 1 1 1 THR HA H 6.682 -3.585 -1.178 1.00 . A A . 1 THR HA 1 1 14 3608 1 1 1 THR HB H 7.652 -5.818 -0.807 1.00 . A A . 1 THR HB 1 1 14 3609 1 1 1 THR HG1 H 5.573 -6.705 0.238 1.00 . A A . 1 THR HG1 1 1 14 3610 1 1 1 THR HG21 H 7.141 -6.821 1.564 1.00 . A A . 1 THR HG21 1 1 14 3611 1 1 1 THR HG22 H 8.598 -5.813 1.394 1.00 . A A . 1 THR HG22 1 1 14 3612 1 1 1 THR HG23 H 7.121 -5.128 2.115 1.00 . A A . 1 THR HG23 1 1 14 3613 1 1 1 THR N N 8.345 -3.341 0.035 1.00 . A A . 1 THR N 1 1 14 3614 1 1 1 THR O O 6.417 -2.732 1.877 1.00 . A A . 1 THR O 1 1 14 3615 1 1 1 THR OG1 O 5.669 -5.758 -0.069 1.00 . A A . 1 THR OG1 1 1 14 3616 1 1 2 TRP C C 2.529 -3.436 1.211 1.00 . A A . 2 TRP C 1 1 14 3617 1 1 2 TRP CA C 3.734 -2.495 1.189 1.00 . A A . 2 TRP CA 1 1 14 3618 1 1 2 TRP CB C 3.391 -1.095 0.675 1.00 . A A . 2 TRP CB 1 1 14 3619 1 1 2 TRP CD1 C 4.654 0.249 2.480 1.00 . A A . 2 TRP CD1 1 1 14 3620 1 1 2 TRP CD2 C 2.623 1.032 2.067 1.00 . A A . 2 TRP CD2 1 1 14 3621 1 1 2 TRP CE2 C 3.184 1.833 3.041 1.00 . A A . 2 TRP CE2 1 1 14 3622 1 1 2 TRP CE3 C 1.326 1.270 1.580 1.00 . A A . 2 TRP CE3 1 1 14 3623 1 1 2 TRP CG C 3.582 0.013 1.713 1.00 . A A . 2 TRP CG 1 1 14 3624 1 1 2 TRP CH2 C 1.226 3.181 3.143 1.00 . A A . 2 TRP CH2 1 1 14 3625 1 1 2 TRP CZ2 C 2.519 2.925 3.612 1.00 . A A . 2 TRP CZ2 1 1 14 3626 1 1 2 TRP CZ3 C 0.675 2.365 2.161 1.00 . A A . 2 TRP CZ3 1 1 14 3627 1 1 2 TRP H H 4.457 -3.469 -0.504 1.00 . A A . 2 TRP H 1 1 14 3628 1 1 2 TRP HA H 4.131 -2.374 2.197 1.00 . A A . 2 TRP HA 1 1 14 3629 1 1 2 TRP HB2 H 4.012 -0.876 -0.193 1.00 . A A . 2 TRP HB2 1 1 14 3630 1 1 2 TRP HB3 H 2.356 -1.088 0.336 1.00 . A A . 2 TRP HB3 1 1 14 3631 1 1 2 TRP HD1 H 5.566 -0.348 2.461 1.00 . A A . 2 TRP HD1 1 1 14 3632 1 1 2 TRP HE1 H 5.172 1.745 4.019 1.00 . A A . 2 TRP HE1 1 1 14 3633 1 1 2 TRP HE3 H 0.861 0.653 0.812 1.00 . A A . 2 TRP HE3 1 1 14 3634 1 1 2 TRP HH2 H 0.653 4.017 3.545 1.00 . A A . 2 TRP HH2 1 1 14 3635 1 1 2 TRP HZ2 H 2.985 3.542 4.380 1.00 . A A . 2 TRP HZ2 1 1 14 3636 1 1 2 TRP HZ3 H -0.334 2.594 1.819 1.00 . A A . 2 TRP HZ3 1 1 14 3637 1 1 2 TRP N N 4.769 -3.110 0.375 1.00 . A A . 2 TRP N 1 1 14 3638 1 1 2 TRP NE1 N 4.458 1.341 3.301 1.00 . A A . 2 TRP NE1 1 1 14 3639 1 1 2 TRP O O 2.663 -4.631 0.951 1.00 . A A . 2 TRP O 1 1 14 3640 1 1 3 LEU C C -1.032 -2.741 1.196 1.00 . A A . 3 LEU C 1 1 14 3641 1 1 3 LEU CA C 0.147 -3.635 1.584 1.00 . A A . 3 LEU CA 1 1 14 3642 1 1 3 LEU CB C -0.007 -4.294 2.956 1.00 . A A . 3 LEU CB 1 1 14 3643 1 1 3 LEU CD1 C 0.318 -6.390 4.320 1.00 . A A . 3 LEU CD1 1 1 14 3644 1 1 3 LEU CD2 C -1.491 -6.290 2.544 1.00 . A A . 3 LEU CD2 1 1 14 3645 1 1 3 LEU CG C -0.096 -5.822 2.961 1.00 . A A . 3 LEU CG 1 1 14 3646 1 1 3 LEU H H 1.275 -1.890 1.735 1.00 . A A . 3 LEU H 1 1 14 3647 1 1 3 LEU HA H 0.229 -4.437 0.849 1.00 . A A . 3 LEU HA 1 1 14 3648 1 1 3 LEU HB2 H 0.840 -3.997 3.576 1.00 . A A . 3 LEU HB2 1 1 14 3649 1 1 3 LEU HB3 H -0.904 -3.896 3.430 1.00 . A A . 3 LEU HB3 1 1 14 3650 1 1 3 LEU HD11 H -0.502 -6.976 4.733 1.00 . A A . 3 LEU HD11 1 1 14 3651 1 1 3 LEU HD12 H 1.193 -7.028 4.195 1.00 . A A . 3 LEU HD12 1 1 14 3652 1 1 3 LEU HD13 H 0.559 -5.571 4.998 1.00 . A A . 3 LEU HD13 1 1 14 3653 1 1 3 LEU HD21 H -2.238 -5.595 2.929 1.00 . A A . 3 LEU HD21 1 1 14 3654 1 1 3 LEU HD22 H -1.553 -6.324 1.457 1.00 . A A . 3 LEU HD22 1 1 14 3655 1 1 3 LEU HD23 H -1.677 -7.284 2.951 1.00 . A A . 3 LEU HD23 1 1 14 3656 1 1 3 LEU HG H 0.607 -6.206 2.223 1.00 . A A . 3 LEU HG 1 1 14 3657 1 1 3 LEU N N 1.376 -2.862 1.524 1.00 . A A . 3 LEU N 1 1 14 3658 1 1 3 LEU O O -1.809 -2.325 2.053 1.00 . A A . 3 LEU O 1 1 14 3659 1 1 4 LYS C C -3.548 -2.251 -0.235 1.00 . A A . 4 LYS C 1 1 14 3660 1 1 4 LYS CA C -2.200 -1.633 -0.611 1.00 . A A . 4 LYS CA 1 1 14 3661 1 1 4 LYS CB C -2.026 -1.401 -2.113 1.00 . A A . 4 LYS CB 1 1 14 3662 1 1 4 LYS CD C 0.237 -1.237 -3.213 1.00 . A A . 4 LYS CD 1 1 14 3663 1 1 4 LYS CE C 1.336 -0.278 -3.678 1.00 . A A . 4 LYS CE 1 1 14 3664 1 1 4 LYS CG C -0.823 -0.498 -2.394 1.00 . A A . 4 LYS CG 1 1 14 3665 1 1 4 LYS H H -0.492 -2.813 -0.789 1.00 . A A . 4 LYS H 1 1 14 3666 1 1 4 LYS HA H -2.116 -0.662 -0.122 1.00 . A A . 4 LYS HA 1 1 14 3667 1 1 4 LYS HB2 H -1.894 -2.357 -2.619 1.00 . A A . 4 LYS HB2 1 1 14 3668 1 1 4 LYS HB3 H -2.929 -0.948 -2.521 1.00 . A A . 4 LYS HB3 1 1 14 3669 1 1 4 LYS HD2 H 0.675 -2.035 -2.613 1.00 . A A . 4 LYS HD2 1 1 14 3670 1 1 4 LYS HD3 H -0.230 -1.707 -4.078 1.00 . A A . 4 LYS HD3 1 1 14 3671 1 1 4 LYS HE2 H 0.907 0.702 -3.888 1.00 . A A . 4 LYS HE2 1 1 14 3672 1 1 4 LYS HE3 H 2.068 -0.142 -2.882 1.00 . A A . 4 LYS HE3 1 1 14 3673 1 1 4 LYS HG2 H -1.150 0.391 -2.931 1.00 . A A . 4 LYS HG2 1 1 14 3674 1 1 4 LYS HG3 H -0.391 -0.161 -1.452 1.00 . A A . 4 LYS HG3 1 1 14 3675 1 1 4 LYS HZ1 H 2.940 -0.457 -4.931 1.00 . A A . 4 LYS HZ1 1 1 14 3676 1 1 4 LYS HZ2 H 2.021 -1.803 -4.853 1.00 . A A . 4 LYS HZ2 1 1 14 3677 1 1 4 LYS HZ3 H 1.502 -0.509 -5.701 1.00 . A A . 4 LYS HZ3 1 1 14 3678 1 1 4 LYS N N -1.128 -2.471 -0.098 1.00 . A A . 4 LYS N 1 1 14 3679 1 1 4 LYS NZ N 2.004 -0.804 -4.888 1.00 . A A . 4 LYS NZ 1 1 14 3680 1 1 4 LYS O O -4.039 -2.051 0.875 1.00 . A A . 4 LYS O 1 1 14 3681 1 1 5 LYS C C -6.320 -2.682 -0.215 1.00 . A A . 5 LYS C 1 1 14 3682 1 1 5 LYS CA C -5.390 -3.638 -0.964 1.00 . A A . 5 LYS CA 1 1 14 3683 1 1 5 LYS CB C -5.198 -4.985 -0.263 1.00 . A A . 5 LYS CB 1 1 14 3684 1 1 5 LYS CD C -5.738 -7.309 -1.079 1.00 . A A . 5 LYS CD 1 1 14 3685 1 1 5 LYS CE C -4.979 -8.595 -1.410 1.00 . A A . 5 LYS CE 1 1 14 3686 1 1 5 LYS CG C -4.844 -6.081 -1.269 1.00 . A A . 5 LYS CG 1 1 14 3687 1 1 5 LYS H H -3.703 -3.148 -2.081 1.00 . A A . 5 LYS H 1 1 14 3688 1 1 5 LYS HA H -5.822 -3.844 -1.943 1.00 . A A . 5 LYS HA 1 1 14 3689 1 1 5 LYS HB2 H -4.407 -4.900 0.483 1.00 . A A . 5 LYS HB2 1 1 14 3690 1 1 5 LYS HB3 H -6.111 -5.255 0.270 1.00 . A A . 5 LYS HB3 1 1 14 3691 1 1 5 LYS HD2 H -6.095 -7.347 -0.050 1.00 . A A . 5 LYS HD2 1 1 14 3692 1 1 5 LYS HD3 H -6.616 -7.226 -1.720 1.00 . A A . 5 LYS HD3 1 1 14 3693 1 1 5 LYS HE2 H -4.180 -8.381 -2.119 1.00 . A A . 5 LYS HE2 1 1 14 3694 1 1 5 LYS HE3 H -4.509 -8.989 -0.509 1.00 . A A . 5 LYS HE3 1 1 14 3695 1 1 5 LYS HG2 H -4.956 -5.699 -2.283 1.00 . A A . 5 LYS HG2 1 1 14 3696 1 1 5 LYS HG3 H -3.798 -6.366 -1.149 1.00 . A A . 5 LYS HG3 1 1 14 3697 1 1 5 LYS HZ1 H -6.598 -9.150 -2.527 1.00 . A A . 5 LYS HZ1 1 1 14 3698 1 1 5 LYS HZ2 H -5.381 -10.238 -2.557 1.00 . A A . 5 LYS HZ2 1 1 14 3699 1 1 5 LYS HZ3 H -6.334 -10.115 -1.237 1.00 . A A . 5 LYS HZ3 1 1 14 3700 1 1 5 LYS N N -4.109 -2.990 -1.182 1.00 . A A . 5 LYS N 1 1 14 3701 1 1 5 LYS NZ N -5.897 -9.607 -1.979 1.00 . A A . 5 LYS NZ 1 1 14 3702 1 1 5 LYS O O -7.015 -3.088 0.716 1.00 . A A . 5 LYS O 1 1 14 3703 1 1 6 ARG C C -6.613 0.983 -0.376 1.00 . A A . 6 ARG C 1 1 14 3704 1 1 6 ARG CA C -7.135 -0.412 -0.030 1.00 . A A . 6 ARG CA 1 1 14 3705 1 1 6 ARG CB C -7.167 -0.575 1.491 1.00 . A A . 6 ARG CB 1 1 14 3706 1 1 6 ARG CD C -8.405 -1.953 3.202 1.00 . A A . 6 ARG CD 1 1 14 3707 1 1 6 ARG CG C -8.537 -1.064 1.964 1.00 . A A . 6 ARG CG 1 1 14 3708 1 1 6 ARG CZ C -9.955 -2.768 4.974 1.00 . A A . 6 ARG CZ 1 1 14 3709 1 1 6 ARG H H -5.735 -1.108 -1.405 1.00 . A A . 6 ARG H 1 1 14 3710 1 1 6 ARG HA H -8.129 -0.574 -0.447 1.00 . A A . 6 ARG HA 1 1 14 3711 1 1 6 ARG HB2 H -6.397 -1.282 1.800 1.00 . A A . 6 ARG HB2 1 1 14 3712 1 1 6 ARG HB3 H -6.932 0.378 1.966 1.00 . A A . 6 ARG HB3 1 1 14 3713 1 1 6 ARG HD2 H -8.193 -2.979 2.902 1.00 . A A . 6 ARG HD2 1 1 14 3714 1 1 6 ARG HD3 H -7.565 -1.619 3.811 1.00 . A A . 6 ARG HD3 1 1 14 3715 1 1 6 ARG HE H -10.315 -1.185 3.784 1.00 . A A . 6 ARG HE 1 1 14 3716 1 1 6 ARG HG2 H -9.173 -0.209 2.191 1.00 . A A . 6 ARG HG2 1 1 14 3717 1 1 6 ARG HG3 H -9.024 -1.620 1.162 1.00 . A A . 6 ARG HG3 1 1 14 3718 1 1 6 ARG HH11 H -8.236 -3.839 4.791 1.00 . A A . 6 ARG HH11 1 1 14 3719 1 1 6 ARG HH12 H -9.325 -4.394 6.020 1.00 . A A . 6 ARG HH12 1 1 14 3720 1 1 6 ARG HH21 H -11.751 -1.916 5.404 1.00 . A A . 6 ARG HH21 1 1 14 3721 1 1 6 ARG HH22 H -11.337 -3.293 6.370 1.00 . A A . 6 ARG HH22 1 1 14 3722 1 1 6 ARG N N -6.303 -1.430 -0.648 1.00 . A A . 6 ARG N 1 1 14 3723 1 1 6 ARG NE N -9.654 -1.905 3.994 1.00 . A A . 6 ARG NE 1 1 14 3724 1 1 6 ARG NH1 N -9.100 -3.750 5.288 1.00 . A A . 6 ARG NH1 1 1 14 3725 1 1 6 ARG NH2 N -11.113 -2.649 5.639 1.00 . A A . 6 ARG NH2 1 1 14 3726 1 1 6 ARG O O -5.766 1.132 -1.256 1.00 . A A . 6 ARG O 1 1 14 3727 1 1 7 ARG C C -5.224 3.493 0.273 1.00 . A A . 7 ARG C 1 1 14 3728 1 1 7 ARG CA C -6.738 3.349 0.110 1.00 . A A . 7 ARG CA 1 1 14 3729 1 1 7 ARG CB C -7.441 4.292 1.090 1.00 . A A . 7 ARG CB 1 1 14 3730 1 1 7 ARG CD C -7.487 6.737 0.473 1.00 . A A . 7 ARG CD 1 1 14 3731 1 1 7 ARG CG C -8.202 5.391 0.344 1.00 . A A . 7 ARG CG 1 1 14 3732 1 1 7 ARG CZ C -8.223 9.116 0.559 1.00 . A A . 7 ARG CZ 1 1 14 3733 1 1 7 ARG H H -7.830 1.841 1.046 1.00 . A A . 7 ARG H 1 1 14 3734 1 1 7 ARG HA H -7.047 3.569 -0.912 1.00 . A A . 7 ARG HA 1 1 14 3735 1 1 7 ARG HB2 H -8.132 3.725 1.713 1.00 . A A . 7 ARG HB2 1 1 14 3736 1 1 7 ARG HB3 H -6.706 4.743 1.757 1.00 . A A . 7 ARG HB3 1 1 14 3737 1 1 7 ARG HD2 H -7.067 6.841 1.473 1.00 . A A . 7 ARG HD2 1 1 14 3738 1 1 7 ARG HD3 H -6.655 6.785 -0.230 1.00 . A A . 7 ARG HD3 1 1 14 3739 1 1 7 ARG HE H -9.291 7.621 -0.265 1.00 . A A . 7 ARG HE 1 1 14 3740 1 1 7 ARG HG2 H -8.295 5.123 -0.709 1.00 . A A . 7 ARG HG2 1 1 14 3741 1 1 7 ARG HG3 H -9.213 5.472 0.742 1.00 . A A . 7 ARG HG3 1 1 14 3742 1 1 7 ARG HH11 H -6.408 8.758 1.404 1.00 . A A . 7 ARG HH11 1 1 14 3743 1 1 7 ARG HH12 H -6.934 10.408 1.456 1.00 . A A . 7 ARG HH12 1 1 14 3744 1 1 7 ARG HH21 H -9.984 9.798 -0.196 1.00 . A A . 7 ARG HH21 1 1 14 3745 1 1 7 ARG HH22 H -8.981 11.003 0.540 1.00 . A A . 7 ARG HH22 1 1 14 3746 1 1 7 ARG N N -7.141 1.971 0.333 1.00 . A A . 7 ARG N 1 1 14 3747 1 1 7 ARG NE N -8.436 7.841 0.207 1.00 . A A . 7 ARG NE 1 1 14 3748 1 1 7 ARG NH1 N -7.093 9.456 1.194 1.00 . A A . 7 ARG NH1 1 1 14 3749 1 1 7 ARG NH2 N -9.140 10.052 0.277 1.00 . A A . 7 ARG NH2 1 1 14 3750 1 1 7 ARG O O -4.641 4.485 -0.164 1.00 . A A . 7 ARG O 1 1 14 3751 1 1 8 TRP C C -2.504 2.307 -0.228 1.00 . A A . 8 TRP C 1 1 14 3752 1 1 8 TRP CA C -3.195 2.491 1.125 1.00 . A A . 8 TRP CA 1 1 14 3753 1 1 8 TRP CB C -2.798 1.425 2.149 1.00 . A A . 8 TRP CB 1 1 14 3754 1 1 8 TRP CD1 C -2.538 2.851 4.284 1.00 . A A . 8 TRP CD1 1 1 14 3755 1 1 8 TRP CD2 C -3.955 1.166 4.526 1.00 . A A . 8 TRP CD2 1 1 14 3756 1 1 8 TRP CE2 C -3.909 1.841 5.728 1.00 . A A . 8 TRP CE2 1 1 14 3757 1 1 8 TRP CE3 C -4.772 0.034 4.352 1.00 . A A . 8 TRP CE3 1 1 14 3758 1 1 8 TRP CG C -3.066 1.826 3.600 1.00 . A A . 8 TRP CG 1 1 14 3759 1 1 8 TRP CH2 C -5.476 0.337 6.700 1.00 . A A . 8 TRP CH2 1 1 14 3760 1 1 8 TRP CZ2 C -4.656 1.462 6.850 1.00 . A A . 8 TRP CZ2 1 1 14 3761 1 1 8 TRP CZ3 C -5.511 -0.333 5.482 1.00 . A A . 8 TRP CZ3 1 1 14 3762 1 1 8 TRP H H -5.112 1.686 1.252 1.00 . A A . 8 TRP H 1 1 14 3763 1 1 8 TRP HA H -2.926 3.457 1.552 1.00 . A A . 8 TRP HA 1 1 14 3764 1 1 8 TRP HB2 H -3.343 0.506 1.930 1.00 . A A . 8 TRP HB2 1 1 14 3765 1 1 8 TRP HB3 H -1.738 1.202 2.034 1.00 . A A . 8 TRP HB3 1 1 14 3766 1 1 8 TRP HD1 H -1.819 3.558 3.871 1.00 . A A . 8 TRP HD1 1 1 14 3767 1 1 8 TRP HE1 H -2.751 3.630 6.338 1.00 . A A . 8 TRP HE1 1 1 14 3768 1 1 8 TRP HE3 H -4.826 -0.517 3.413 1.00 . A A . 8 TRP HE3 1 1 14 3769 1 1 8 TRP HH2 H -6.084 -0.012 7.535 1.00 . A A . 8 TRP HH2 1 1 14 3770 1 1 8 TRP HZ2 H -4.601 2.012 7.789 1.00 . A A . 8 TRP HZ2 1 1 14 3771 1 1 8 TRP HZ3 H -6.162 -1.204 5.402 1.00 . A A . 8 TRP HZ3 1 1 14 3772 1 1 8 TRP N N -4.631 2.489 0.900 1.00 . A A . 8 TRP N 1 1 14 3773 1 1 8 TRP NE1 N -3.018 2.899 5.576 1.00 . A A . 8 TRP NE1 1 1 14 3774 1 1 8 TRP O O -2.721 1.305 -0.908 1.00 . A A . 8 TRP O 1 1 14 3775 1 1 9 LYS C C 0.388 3.945 -1.667 1.00 . A A . 9 LYS C 1 1 14 3776 1 1 9 LYS CA C -0.963 3.248 -1.837 1.00 . A A . 9 LYS CA 1 1 14 3777 1 1 9 LYS CB C -1.818 3.828 -2.965 1.00 . A A . 9 LYS CB 1 1 14 3778 1 1 9 LYS CD C -2.181 3.906 -5.460 1.00 . A A . 9 LYS CD 1 1 14 3779 1 1 9 LYS CE C -1.506 4.968 -6.330 1.00 . A A . 9 LYS CE 1 1 14 3780 1 1 9 LYS CG C -1.251 3.447 -4.334 1.00 . A A . 9 LYS CG 1 1 14 3781 1 1 9 LYS H H -1.517 4.100 -0.019 1.00 . A A . 9 LYS H 1 1 14 3782 1 1 9 LYS HA H -0.783 2.199 -2.077 1.00 . A A . 9 LYS HA 1 1 14 3783 1 1 9 LYS HB2 H -2.841 3.463 -2.877 1.00 . A A . 9 LYS HB2 1 1 14 3784 1 1 9 LYS HB3 H -1.858 4.914 -2.874 1.00 . A A . 9 LYS HB3 1 1 14 3785 1 1 9 LYS HD2 H -2.461 3.051 -6.075 1.00 . A A . 9 LYS HD2 1 1 14 3786 1 1 9 LYS HD3 H -3.100 4.308 -5.035 1.00 . A A . 9 LYS HD3 1 1 14 3787 1 1 9 LYS HE2 H -1.865 5.958 -6.050 1.00 . A A . 9 LYS HE2 1 1 14 3788 1 1 9 LYS HE3 H -0.429 4.959 -6.156 1.00 . A A . 9 LYS HE3 1 1 14 3789 1 1 9 LYS HG2 H -0.267 3.899 -4.463 1.00 . A A . 9 LYS HG2 1 1 14 3790 1 1 9 LYS HG3 H -1.115 2.367 -4.388 1.00 . A A . 9 LYS HG3 1 1 14 3791 1 1 9 LYS HZ1 H -2.773 4.647 -7.900 1.00 . A A . 9 LYS HZ1 1 1 14 3792 1 1 9 LYS HZ2 H -1.427 5.477 -8.308 1.00 . A A . 9 LYS HZ2 1 1 14 3793 1 1 9 LYS HZ3 H -1.346 3.867 -8.044 1.00 . A A . 9 LYS HZ3 1 1 14 3794 1 1 9 LYS N N -1.687 3.288 -0.578 1.00 . A A . 9 LYS N 1 1 14 3795 1 1 9 LYS NZ N -1.785 4.720 -7.761 1.00 . A A . 9 LYS NZ 1 1 14 3796 1 1 9 LYS O O 1.013 4.343 -2.649 1.00 . A A . 9 LYS O 1 1 14 3797 1 1 10 LYS C C 3.139 3.644 0.095 1.00 . A A . 10 LYS C 1 1 14 3798 1 1 10 LYS CA C 2.065 4.714 -0.103 1.00 . A A . 10 LYS CA 1 1 14 3799 1 1 10 LYS CB C 1.907 5.657 1.093 1.00 . A A . 10 LYS CB 1 1 14 3800 1 1 10 LYS CD C 3.689 6.884 2.388 1.00 . A A . 10 LYS CD 1 1 14 3801 1 1 10 LYS CE C 3.135 8.039 3.225 1.00 . A A . 10 LYS CE 1 1 14 3802 1 1 10 LYS CG C 2.953 6.773 1.051 1.00 . A A . 10 LYS CG 1 1 14 3803 1 1 10 LYS H H 0.284 3.745 0.379 1.00 . A A . 10 LYS H 1 1 14 3804 1 1 10 LYS HA H 2.340 5.327 -0.962 1.00 . A A . 10 LYS HA 1 1 14 3805 1 1 10 LYS HB2 H 0.907 6.089 1.090 1.00 . A A . 10 LYS HB2 1 1 14 3806 1 1 10 LYS HB3 H 2.008 5.093 2.020 1.00 . A A . 10 LYS HB3 1 1 14 3807 1 1 10 LYS HD2 H 3.590 5.950 2.940 1.00 . A A . 10 LYS HD2 1 1 14 3808 1 1 10 LYS HD3 H 4.753 7.038 2.210 1.00 . A A . 10 LYS HD3 1 1 14 3809 1 1 10 LYS HE2 H 2.727 8.808 2.569 1.00 . A A . 10 LYS HE2 1 1 14 3810 1 1 10 LYS HE3 H 2.314 7.683 3.847 1.00 . A A . 10 LYS HE3 1 1 14 3811 1 1 10 LYS HG2 H 3.669 6.577 0.253 1.00 . A A . 10 LYS HG2 1 1 14 3812 1 1 10 LYS HG3 H 2.468 7.721 0.819 1.00 . A A . 10 LYS HG3 1 1 14 3813 1 1 10 LYS HZ1 H 4.301 9.589 3.866 1.00 . A A . 10 LYS HZ1 1 1 14 3814 1 1 10 LYS HZ2 H 3.948 8.510 5.039 1.00 . A A . 10 LYS HZ2 1 1 14 3815 1 1 10 LYS HZ3 H 5.060 8.145 3.901 1.00 . A A . 10 LYS HZ3 1 1 14 3816 1 1 10 LYS N N 0.798 4.071 -0.414 1.00 . A A . 10 LYS N 1 1 14 3817 1 1 10 LYS NZ N 4.197 8.618 4.078 1.00 . A A . 10 LYS NZ 1 1 14 3818 1 1 10 LYS O O 3.730 3.543 1.169 1.00 . A A . 10 LYS O 1 1 14 3819 1 1 11 ALA C C 5.603 2.320 -0.188 1.00 . A A . 11 ALA C 1 1 14 3820 1 1 11 ALA CA C 4.355 1.813 -0.914 1.00 . A A . 11 ALA CA 1 1 14 3821 1 1 11 ALA CB C 4.661 1.339 -2.337 1.00 . A A . 11 ALA CB 1 1 14 3822 1 1 11 ALA H H 2.876 2.960 -1.829 1.00 . A A . 11 ALA H 1 1 14 3823 1 1 11 ALA HA H 3.930 0.982 -0.352 1.00 . A A . 11 ALA HA 1 1 14 3824 1 1 11 ALA HB1 H 3.756 0.929 -2.785 1.00 . A A . 11 ALA HB1 1 1 14 3825 1 1 11 ALA HB2 H 5.011 2.182 -2.933 1.00 . A A . 11 ALA HB2 1 1 14 3826 1 1 11 ALA HB3 H 5.432 0.571 -2.306 1.00 . A A . 11 ALA HB3 1 1 14 3827 1 1 11 ALA N N 3.361 2.872 -0.959 1.00 . A A . 11 ALA N 1 1 14 3828 1 1 11 ALA O O 5.781 2.062 1.000 1.00 . A A . 11 ALA O 1 1 14 3829 1 1 12 LYS C C 8.680 2.452 -0.199 1.00 . A A . 12 LYS C 1 1 14 3830 1 1 12 LYS CA C 7.660 3.579 -0.377 1.00 . A A . 12 LYS CA 1 1 14 3831 1 1 12 LYS CB C 7.366 4.351 0.910 1.00 . A A . 12 LYS CB 1 1 14 3832 1 1 12 LYS CD C 8.856 6.331 1.375 1.00 . A A . 12 LYS CD 1 1 14 3833 1 1 12 LYS CE C 8.727 7.782 1.844 1.00 . A A . 12 LYS CE 1 1 14 3834 1 1 12 LYS CG C 7.565 5.854 0.706 1.00 . A A . 12 LYS CG 1 1 14 3835 1 1 12 LYS H H 6.282 3.238 -1.902 1.00 . A A . 12 LYS H 1 1 14 3836 1 1 12 LYS HA H 8.057 4.293 -1.098 1.00 . A A . 12 LYS HA 1 1 14 3837 1 1 12 LYS HB2 H 6.341 4.157 1.230 1.00 . A A . 12 LYS HB2 1 1 14 3838 1 1 12 LYS HB3 H 8.019 3.998 1.708 1.00 . A A . 12 LYS HB3 1 1 14 3839 1 1 12 LYS HD2 H 9.088 5.690 2.225 1.00 . A A . 12 LYS HD2 1 1 14 3840 1 1 12 LYS HD3 H 9.686 6.244 0.674 1.00 . A A . 12 LYS HD3 1 1 14 3841 1 1 12 LYS HE2 H 7.719 7.960 2.220 1.00 . A A . 12 LYS HE2 1 1 14 3842 1 1 12 LYS HE3 H 9.412 7.965 2.670 1.00 . A A . 12 LYS HE3 1 1 14 3843 1 1 12 LYS HG2 H 7.599 6.078 -0.360 1.00 . A A . 12 LYS HG2 1 1 14 3844 1 1 12 LYS HG3 H 6.715 6.397 1.120 1.00 . A A . 12 LYS HG3 1 1 14 3845 1 1 12 LYS HZ1 H 8.838 8.260 -0.140 1.00 . A A . 12 LYS HZ1 1 1 14 3846 1 1 12 LYS HZ2 H 8.439 9.523 0.813 1.00 . A A . 12 LYS HZ2 1 1 14 3847 1 1 12 LYS HZ3 H 9.981 8.987 0.771 1.00 . A A . 12 LYS HZ3 1 1 14 3848 1 1 12 LYS N N 6.434 3.033 -0.935 1.00 . A A . 12 LYS N 1 1 14 3849 1 1 12 LYS NZ N 9.020 8.713 0.732 1.00 . A A . 12 LYS NZ 1 1 14 3850 1 1 12 LYS O O 8.736 1.732 0.798 1.00 . A A . 12 LYS O 1 1 14 3851 1 1 13 DPR C C 10.368 -0.159 -1.400 1.00 . A A . 13 DPR C 1 1 14 3852 1 1 13 DPR CA C 10.709 1.357 -1.167 1.00 . A A . 13 DPR CA 1 1 14 3853 1 1 13 DPR CB C 11.637 1.997 -2.223 1.00 . A A . 13 DPR CB 1 1 14 3854 1 1 13 DPR CD C 9.514 3.115 -2.463 1.00 . A A . 13 DPR CD 1 1 14 3855 1 1 13 DPR CG C 10.695 2.586 -3.276 1.00 . A A . 13 DPR CG 1 1 14 3856 1 1 13 DPR HA H 11.213 1.438 -0.183 1.00 . A A . 13 DPR HA 1 1 14 3857 1 1 13 DPR HB2 H 12.359 1.277 -2.656 1.00 . A A . 13 DPR HB2 1 1 14 3858 1 1 13 DPR HB3 H 12.242 2.800 -1.759 1.00 . A A . 13 DPR HB3 1 1 14 3859 1 1 13 DPR HD2 H 8.560 3.013 -3.016 1.00 . A A . 13 DPR HD2 1 1 14 3860 1 1 13 DPR HD3 H 9.653 4.188 -2.219 1.00 . A A . 13 DPR HD3 1 1 14 3861 1 1 13 DPR HG2 H 11.174 3.367 -3.895 1.00 . A A . 13 DPR HG2 1 1 14 3862 1 1 13 DPR HG3 H 10.354 1.787 -3.965 1.00 . A A . 13 DPR HG3 1 1 14 3863 1 1 13 DPR N N 9.544 2.290 -1.236 1.00 . A A . 13 DPR N 1 1 14 3864 1 1 13 DPR O O 9.874 -0.564 -2.453 1.00 . A A . 13 DPR O 1 1 14 3865 1 1 14 PRO C C 9.195 -3.078 -0.977 1.00 . A A . 14 PRO C 1 1 14 3866 1 1 14 PRO CA C 10.579 -2.479 -0.548 1.00 . A A . 14 PRO CA 1 1 14 3867 1 1 14 PRO CB C 11.090 -2.948 0.832 1.00 . A A . 14 PRO CB 1 1 14 3868 1 1 14 PRO CD C 10.965 -0.532 0.971 1.00 . A A . 14 PRO CD 1 1 14 3869 1 1 14 PRO CG C 10.783 -1.802 1.805 1.00 . A A . 14 PRO CG 1 1 14 3870 1 1 14 PRO HA H 11.307 -2.817 -1.313 1.00 . A A . 14 PRO HA 1 1 14 3871 1 1 14 PRO HB2 H 10.652 -3.911 1.158 1.00 . A A . 14 PRO HB2 1 1 14 3872 1 1 14 PRO HB3 H 12.185 -3.112 0.786 1.00 . A A . 14 PRO HB3 1 1 14 3873 1 1 14 PRO HD2 H 10.288 0.285 1.291 1.00 . A A . 14 PRO HD2 1 1 14 3874 1 1 14 PRO HD3 H 12.003 -0.147 1.032 1.00 . A A . 14 PRO HD3 1 1 14 3875 1 1 14 PRO HG2 H 9.739 -1.873 2.164 1.00 . A A . 14 PRO HG2 1 1 14 3876 1 1 14 PRO HG3 H 11.432 -1.813 2.701 1.00 . A A . 14 PRO HG3 1 1 14 3877 1 1 14 PRO N N 10.672 -1.003 -0.394 1.00 . A A . 14 PRO N 1 1 14 3878 1 1 14 PRO O O 8.844 -3.088 -2.151 1.00 . A A . 14 PRO O 1 1 15 3879 1 1 1 THR C C 5.460 -3.286 0.098 1.00 . A A . 1 THR C 1 1 15 3880 1 1 1 THR CA C 6.326 -4.489 -0.286 1.00 . A A . 1 THR CA 1 1 15 3881 1 1 1 THR CB C 5.628 -5.834 -0.068 1.00 . A A . 1 THR CB 1 1 15 3882 1 1 1 THR CG2 C 4.161 -5.810 -0.505 1.00 . A A . 1 THR CG2 1 1 15 3883 1 1 1 THR H1 H 8.311 -5.008 0.072 1.00 . A A . 1 THR H1 1 1 15 3884 1 1 1 THR HA H 6.578 -4.378 -1.341 1.00 . A A . 1 THR HA 1 1 15 3885 1 1 1 THR HB H 5.720 -6.156 0.969 1.00 . A A . 1 THR HB 1 1 15 3886 1 1 1 THR HG1 H 6.121 -6.363 -1.934 1.00 . A A . 1 THR HG1 1 1 15 3887 1 1 1 THR HG21 H 3.983 -4.938 -1.134 1.00 . A A . 1 THR HG21 1 1 15 3888 1 1 1 THR HG22 H 3.935 -6.716 -1.068 1.00 . A A . 1 THR HG22 1 1 15 3889 1 1 1 THR HG23 H 3.521 -5.759 0.375 1.00 . A A . 1 THR HG23 1 1 15 3890 1 1 1 THR N N 7.558 -4.493 0.483 1.00 . A A . 1 THR N 1 1 15 3891 1 1 1 THR O O 5.270 -3.008 1.280 1.00 . A A . 1 THR O 1 1 15 3892 1 1 1 THR OG1 O 6.255 -6.706 -1.005 1.00 . A A . 1 THR OG1 1 1 15 3893 1 1 2 TRP C C 2.759 -1.925 -0.209 1.00 . A A . 2 TRP C 1 1 15 3894 1 1 2 TRP CA C 4.122 -1.441 -0.709 1.00 . A A . 2 TRP CA 1 1 15 3895 1 1 2 TRP CB C 4.026 -0.592 -1.978 1.00 . A A . 2 TRP CB 1 1 15 3896 1 1 2 TRP CD1 C 6.410 -1.182 -2.772 1.00 . A A . 2 TRP CD1 1 1 15 3897 1 1 2 TRP CD2 C 4.982 -0.878 -4.439 1.00 . A A . 2 TRP CD2 1 1 15 3898 1 1 2 TRP CE2 C 6.207 -1.186 -4.995 1.00 . A A . 2 TRP CE2 1 1 15 3899 1 1 2 TRP CE3 C 3.856 -0.627 -5.241 1.00 . A A . 2 TRP CE3 1 1 15 3900 1 1 2 TRP CG C 5.125 -0.879 -3.003 1.00 . A A . 2 TRP CG 1 1 15 3901 1 1 2 TRP CH2 C 5.314 -1.022 -7.196 1.00 . A A . 2 TRP CH2 1 1 15 3902 1 1 2 TRP CZ2 C 6.422 -1.269 -6.377 1.00 . A A . 2 TRP CZ2 1 1 15 3903 1 1 2 TRP CZ3 C 4.087 -0.714 -6.619 1.00 . A A . 2 TRP CZ3 1 1 15 3904 1 1 2 TRP H H 5.122 -2.841 -1.883 1.00 . A A . 2 TRP H 1 1 15 3905 1 1 2 TRP HA H 4.599 -0.823 0.052 1.00 . A A . 2 TRP HA 1 1 15 3906 1 1 2 TRP HB2 H 3.056 -0.761 -2.444 1.00 . A A . 2 TRP HB2 1 1 15 3907 1 1 2 TRP HB3 H 4.068 0.462 -1.702 1.00 . A A . 2 TRP HB3 1 1 15 3908 1 1 2 TRP HD1 H 6.851 -1.266 -1.780 1.00 . A A . 2 TRP HD1 1 1 15 3909 1 1 2 TRP HE1 H 8.158 -1.632 -4.043 1.00 . A A . 2 TRP HE1 1 1 15 3910 1 1 2 TRP HE3 H 2.878 -0.381 -4.826 1.00 . A A . 2 TRP HE3 1 1 15 3911 1 1 2 TRP HH2 H 5.413 -1.070 -8.280 1.00 . A A . 2 TRP HH2 1 1 15 3912 1 1 2 TRP HZ2 H 7.401 -1.513 -6.791 1.00 . A A . 2 TRP HZ2 1 1 15 3913 1 1 2 TRP HZ3 H 3.246 -0.527 -7.287 1.00 . A A . 2 TRP HZ3 1 1 15 3914 1 1 2 TRP N N 4.961 -2.607 -0.924 1.00 . A A . 2 TRP N 1 1 15 3915 1 1 2 TRP NE1 N 7.103 -1.376 -3.950 1.00 . A A . 2 TRP NE1 1 1 15 3916 1 1 2 TRP O O 2.147 -2.801 -0.818 1.00 . A A . 2 TRP O 1 1 15 3917 1 1 3 LEU C C -0.080 -1.319 0.514 1.00 . A A . 3 LEU C 1 1 15 3918 1 1 3 LEU CA C 1.045 -1.694 1.481 1.00 . A A . 3 LEU CA 1 1 15 3919 1 1 3 LEU CB C 0.897 -1.067 2.868 1.00 . A A . 3 LEU CB 1 1 15 3920 1 1 3 LEU CD1 C 2.235 -0.430 4.910 1.00 . A A . 3 LEU CD1 1 1 15 3921 1 1 3 LEU CD2 C 1.344 -2.791 4.655 1.00 . A A . 3 LEU CD2 1 1 15 3922 1 1 3 LEU CG C 1.882 -1.554 3.934 1.00 . A A . 3 LEU CG 1 1 15 3923 1 1 3 LEU H H 2.828 -0.622 1.382 1.00 . A A . 3 LEU H 1 1 15 3924 1 1 3 LEU HA H 1.040 -2.776 1.614 1.00 . A A . 3 LEU HA 1 1 15 3925 1 1 3 LEU HB2 H 1.004 0.014 2.771 1.00 . A A . 3 LEU HB2 1 1 15 3926 1 1 3 LEU HB3 H -0.115 -1.256 3.226 1.00 . A A . 3 LEU HB3 1 1 15 3927 1 1 3 LEU HD11 H 1.630 -0.528 5.810 1.00 . A A . 3 LEU HD11 1 1 15 3928 1 1 3 LEU HD12 H 3.291 -0.494 5.173 1.00 . A A . 3 LEU HD12 1 1 15 3929 1 1 3 LEU HD13 H 2.035 0.534 4.441 1.00 . A A . 3 LEU HD13 1 1 15 3930 1 1 3 LEU HD21 H 0.286 -2.914 4.423 1.00 . A A . 3 LEU HD21 1 1 15 3931 1 1 3 LEU HD22 H 1.893 -3.672 4.323 1.00 . A A . 3 LEU HD22 1 1 15 3932 1 1 3 LEU HD23 H 1.469 -2.667 5.730 1.00 . A A . 3 LEU HD23 1 1 15 3933 1 1 3 LEU HG H 2.806 -1.848 3.435 1.00 . A A . 3 LEU HG 1 1 15 3934 1 1 3 LEU N N 2.324 -1.334 0.893 1.00 . A A . 3 LEU N 1 1 15 3935 1 1 3 LEU O O 0.177 -0.794 -0.569 1.00 . A A . 3 LEU O 1 1 15 3936 1 1 4 LYS C C -3.733 -1.509 0.957 1.00 . A A . 4 LYS C 1 1 15 3937 1 1 4 LYS CA C -2.467 -1.301 0.124 1.00 . A A . 4 LYS CA 1 1 15 3938 1 1 4 LYS CB C -2.440 -2.117 -1.170 1.00 . A A . 4 LYS CB 1 1 15 3939 1 1 4 LYS CD C -3.182 -1.443 -3.484 1.00 . A A . 4 LYS CD 1 1 15 3940 1 1 4 LYS CE C -3.496 -2.596 -4.439 1.00 . A A . 4 LYS CE 1 1 15 3941 1 1 4 LYS CG C -3.636 -1.772 -2.060 1.00 . A A . 4 LYS CG 1 1 15 3942 1 1 4 LYS H H -1.502 -2.029 1.821 1.00 . A A . 4 LYS H 1 1 15 3943 1 1 4 LYS HA H -2.407 -0.249 -0.156 1.00 . A A . 4 LYS HA 1 1 15 3944 1 1 4 LYS HB2 H -1.513 -1.922 -1.709 1.00 . A A . 4 LYS HB2 1 1 15 3945 1 1 4 LYS HB3 H -2.452 -3.181 -0.934 1.00 . A A . 4 LYS HB3 1 1 15 3946 1 1 4 LYS HD2 H -3.680 -0.536 -3.828 1.00 . A A . 4 LYS HD2 1 1 15 3947 1 1 4 LYS HD3 H -2.111 -1.242 -3.491 1.00 . A A . 4 LYS HD3 1 1 15 3948 1 1 4 LYS HE2 H -2.569 -3.008 -4.840 1.00 . A A . 4 LYS HE2 1 1 15 3949 1 1 4 LYS HE3 H -3.993 -3.401 -3.896 1.00 . A A . 4 LYS HE3 1 1 15 3950 1 1 4 LYS HG2 H -4.332 -2.610 -2.080 1.00 . A A . 4 LYS HG2 1 1 15 3951 1 1 4 LYS HG3 H -4.173 -0.921 -1.640 1.00 . A A . 4 LYS HG3 1 1 15 3952 1 1 4 LYS HZ1 H -3.828 -2.099 -6.394 1.00 . A A . 4 LYS HZ1 1 1 15 3953 1 1 4 LYS HZ2 H -5.127 -2.763 -5.660 1.00 . A A . 4 LYS HZ2 1 1 15 3954 1 1 4 LYS HZ3 H -4.708 -1.218 -5.337 1.00 . A A . 4 LYS HZ3 1 1 15 3955 1 1 4 LYS N N -1.302 -1.603 0.939 1.00 . A A . 4 LYS N 1 1 15 3956 1 1 4 LYS NZ N -4.360 -2.132 -5.548 1.00 . A A . 4 LYS NZ 1 1 15 3957 1 1 4 LYS O O -4.520 -0.582 1.139 1.00 . A A . 4 LYS O 1 1 15 3958 1 1 5 LYS C C -6.317 -2.938 1.399 1.00 . A A . 5 LYS C 1 1 15 3959 1 1 5 LYS CA C -5.050 -3.075 2.246 1.00 . A A . 5 LYS CA 1 1 15 3960 1 1 5 LYS CB C -5.075 -2.241 3.528 1.00 . A A . 5 LYS CB 1 1 15 3961 1 1 5 LYS CD C -4.765 -2.798 5.968 1.00 . A A . 5 LYS CD 1 1 15 3962 1 1 5 LYS CE C -3.539 -3.713 6.021 1.00 . A A . 5 LYS CE 1 1 15 3963 1 1 5 LYS CG C -5.593 -3.064 4.710 1.00 . A A . 5 LYS CG 1 1 15 3964 1 1 5 LYS H H -3.248 -3.483 1.284 1.00 . A A . 5 LYS H 1 1 15 3965 1 1 5 LYS HA H -4.945 -4.119 2.543 1.00 . A A . 5 LYS HA 1 1 15 3966 1 1 5 LYS HB2 H -4.072 -1.875 3.747 1.00 . A A . 5 LYS HB2 1 1 15 3967 1 1 5 LYS HB3 H -5.707 -1.365 3.384 1.00 . A A . 5 LYS HB3 1 1 15 3968 1 1 5 LYS HD2 H -4.447 -1.757 5.985 1.00 . A A . 5 LYS HD2 1 1 15 3969 1 1 5 LYS HD3 H -5.380 -2.958 6.853 1.00 . A A . 5 LYS HD3 1 1 15 3970 1 1 5 LYS HE2 H -3.585 -4.341 6.911 1.00 . A A . 5 LYS HE2 1 1 15 3971 1 1 5 LYS HE3 H -3.539 -4.380 5.158 1.00 . A A . 5 LYS HE3 1 1 15 3972 1 1 5 LYS HG2 H -6.638 -2.817 4.898 1.00 . A A . 5 LYS HG2 1 1 15 3973 1 1 5 LYS HG3 H -5.556 -4.125 4.462 1.00 . A A . 5 LYS HG3 1 1 15 3974 1 1 5 LYS HZ1 H -1.545 -3.466 6.398 1.00 . A A . 5 LYS HZ1 1 1 15 3975 1 1 5 LYS HZ2 H -2.075 -2.621 5.104 1.00 . A A . 5 LYS HZ2 1 1 15 3976 1 1 5 LYS HZ3 H -2.424 -2.106 6.615 1.00 . A A . 5 LYS HZ3 1 1 15 3977 1 1 5 LYS N N -3.892 -2.734 1.438 1.00 . A A . 5 LYS N 1 1 15 3978 1 1 5 LYS NZ N -2.295 -2.911 6.036 1.00 . A A . 5 LYS NZ 1 1 15 3979 1 1 5 LYS O O -6.877 -3.935 0.948 1.00 . A A . 5 LYS O 1 1 15 3980 1 1 6 ARG C C -8.173 0.095 0.363 1.00 . A A . 6 ARG C 1 1 15 3981 1 1 6 ARG CA C -7.921 -1.413 0.424 1.00 . A A . 6 ARG CA 1 1 15 3982 1 1 6 ARG CB C -9.149 -2.104 1.019 1.00 . A A . 6 ARG CB 1 1 15 3983 1 1 6 ARG CD C -10.248 -2.716 3.205 1.00 . A A . 6 ARG CD 1 1 15 3984 1 1 6 ARG CG C -9.342 -1.715 2.486 1.00 . A A . 6 ARG CG 1 1 15 3985 1 1 6 ARG CZ C -11.885 -2.605 5.080 1.00 . A A . 6 ARG CZ 1 1 15 3986 1 1 6 ARG H H -6.269 -0.888 1.580 1.00 . A A . 6 ARG H 1 1 15 3987 1 1 6 ARG HA H -7.703 -1.814 -0.565 1.00 . A A . 6 ARG HA 1 1 15 3988 1 1 6 ARG HB2 H -10.037 -1.833 0.447 1.00 . A A . 6 ARG HB2 1 1 15 3989 1 1 6 ARG HB3 H -9.037 -3.186 0.938 1.00 . A A . 6 ARG HB3 1 1 15 3990 1 1 6 ARG HD2 H -10.828 -3.283 2.477 1.00 . A A . 6 ARG HD2 1 1 15 3991 1 1 6 ARG HD3 H -9.643 -3.433 3.758 1.00 . A A . 6 ARG HD3 1 1 15 3992 1 1 6 ARG HE H -11.232 -1.009 4.041 1.00 . A A . 6 ARG HE 1 1 15 3993 1 1 6 ARG HG2 H -8.374 -1.671 2.985 1.00 . A A . 6 ARG HG2 1 1 15 3994 1 1 6 ARG HG3 H -9.777 -0.717 2.546 1.00 . A A . 6 ARG HG3 1 1 15 3995 1 1 6 ARG HH11 H -11.222 -4.476 4.643 1.00 . A A . 6 ARG HH11 1 1 15 3996 1 1 6 ARG HH12 H -12.361 -4.383 5.944 1.00 . A A . 6 ARG HH12 1 1 15 3997 1 1 6 ARG HH21 H -12.734 -0.886 5.758 1.00 . A A . 6 ARG HH21 1 1 15 3998 1 1 6 ARG HH22 H -13.227 -2.326 6.582 1.00 . A A . 6 ARG HH22 1 1 15 3999 1 1 6 ARG N N -6.732 -1.694 1.209 1.00 . A A . 6 ARG N 1 1 15 4000 1 1 6 ARG NE N -11.157 -2.003 4.130 1.00 . A A . 6 ARG NE 1 1 15 4001 1 1 6 ARG NH1 N -11.816 -3.934 5.235 1.00 . A A . 6 ARG NH1 1 1 15 4002 1 1 6 ARG NH2 N -12.683 -1.877 5.873 1.00 . A A . 6 ARG NH2 1 1 15 4003 1 1 6 ARG O O -9.227 0.569 0.784 1.00 . A A . 6 ARG O 1 1 15 4004 1 1 7 ARG C C -5.895 2.880 -0.323 1.00 . A A . 7 ARG C 1 1 15 4005 1 1 7 ARG CA C -7.289 2.252 -0.284 1.00 . A A . 7 ARG CA 1 1 15 4006 1 1 7 ARG CB C -8.077 2.848 0.884 1.00 . A A . 7 ARG CB 1 1 15 4007 1 1 7 ARG CD C -10.497 2.701 1.581 1.00 . A A . 7 ARG CD 1 1 15 4008 1 1 7 ARG CG C -9.526 3.131 0.479 1.00 . A A . 7 ARG CG 1 1 15 4009 1 1 7 ARG CZ C -12.346 3.760 2.872 1.00 . A A . 7 ARG CZ 1 1 15 4010 1 1 7 ARG H H -6.333 0.414 -0.502 1.00 . A A . 7 ARG H 1 1 15 4011 1 1 7 ARG HA H -7.819 2.416 -1.222 1.00 . A A . 7 ARG HA 1 1 15 4012 1 1 7 ARG HB2 H -8.061 2.158 1.729 1.00 . A A . 7 ARG HB2 1 1 15 4013 1 1 7 ARG HB3 H -7.601 3.771 1.216 1.00 . A A . 7 ARG HB3 1 1 15 4014 1 1 7 ARG HD2 H -11.079 1.843 1.247 1.00 . A A . 7 ARG HD2 1 1 15 4015 1 1 7 ARG HD3 H -9.942 2.387 2.464 1.00 . A A . 7 ARG HD3 1 1 15 4016 1 1 7 ARG HE H -11.299 4.678 1.419 1.00 . A A . 7 ARG HE 1 1 15 4017 1 1 7 ARG HG2 H -9.648 4.196 0.277 1.00 . A A . 7 ARG HG2 1 1 15 4018 1 1 7 ARG HG3 H -9.760 2.602 -0.444 1.00 . A A . 7 ARG HG3 1 1 15 4019 1 1 7 ARG HH11 H -11.941 1.836 3.392 1.00 . A A . 7 ARG HH11 1 1 15 4020 1 1 7 ARG HH12 H -13.225 2.586 4.281 1.00 . A A . 7 ARG HH12 1 1 15 4021 1 1 7 ARG HH21 H -12.992 5.668 2.592 1.00 . A A . 7 ARG HH21 1 1 15 4022 1 1 7 ARG HH22 H -13.827 4.780 3.823 1.00 . A A . 7 ARG HH22 1 1 15 4023 1 1 7 ARG N N -7.187 0.807 -0.163 1.00 . A A . 7 ARG N 1 1 15 4024 1 1 7 ARG NE N -11.401 3.822 1.925 1.00 . A A . 7 ARG NE 1 1 15 4025 1 1 7 ARG NH1 N -12.519 2.632 3.574 1.00 . A A . 7 ARG NH1 1 1 15 4026 1 1 7 ARG NH2 N -13.120 4.826 3.116 1.00 . A A . 7 ARG NH2 1 1 15 4027 1 1 7 ARG O O -5.727 3.997 -0.811 1.00 . A A . 7 ARG O 1 1 15 4028 1 1 8 TRP C C -2.844 2.070 -1.015 1.00 . A A . 8 TRP C 1 1 15 4029 1 1 8 TRP CA C -3.555 2.607 0.230 1.00 . A A . 8 TRP CA 1 1 15 4030 1 1 8 TRP CB C -2.866 2.202 1.534 1.00 . A A . 8 TRP CB 1 1 15 4031 1 1 8 TRP CD1 C -3.098 4.174 3.184 1.00 . A A . 8 TRP CD1 1 1 15 4032 1 1 8 TRP CD2 C -4.330 2.420 3.740 1.00 . A A . 8 TRP CD2 1 1 15 4033 1 1 8 TRP CE2 C -4.544 3.392 4.694 1.00 . A A . 8 TRP CE2 1 1 15 4034 1 1 8 TRP CE3 C -4.975 1.171 3.809 1.00 . A A . 8 TRP CE3 1 1 15 4035 1 1 8 TRP CG C -3.395 2.934 2.770 1.00 . A A . 8 TRP CG 1 1 15 4036 1 1 8 TRP CH2 C -6.055 1.985 5.876 1.00 . A A . 8 TRP CH2 1 1 15 4037 1 1 8 TRP CZ2 C -5.402 3.220 5.787 1.00 . A A . 8 TRP CZ2 1 1 15 4038 1 1 8 TRP CZ3 C -5.829 1.015 4.906 1.00 . A A . 8 TRP CZ3 1 1 15 4039 1 1 8 TRP H H -5.075 1.229 0.593 1.00 . A A . 8 TRP H 1 1 15 4040 1 1 8 TRP HA H -3.576 3.696 0.205 1.00 . A A . 8 TRP HA 1 1 15 4041 1 1 8 TRP HB2 H -2.990 1.129 1.680 1.00 . A A . 8 TRP HB2 1 1 15 4042 1 1 8 TRP HB3 H -1.797 2.391 1.442 1.00 . A A . 8 TRP HB3 1 1 15 4043 1 1 8 TRP HD1 H -2.411 4.845 2.668 1.00 . A A . 8 TRP HD1 1 1 15 4044 1 1 8 TRP HE1 H -3.707 5.436 4.889 1.00 . A A . 8 TRP HE1 1 1 15 4045 1 1 8 TRP HE3 H -4.824 0.387 3.067 1.00 . A A . 8 TRP HE3 1 1 15 4046 1 1 8 TRP HH2 H -6.737 1.785 6.702 1.00 . A A . 8 TRP HH2 1 1 15 4047 1 1 8 TRP HZ2 H -5.554 4.005 6.528 1.00 . A A . 8 TRP HZ2 1 1 15 4048 1 1 8 TRP HZ3 H -6.355 0.065 5.008 1.00 . A A . 8 TRP HZ3 1 1 15 4049 1 1 8 TRP N N -4.930 2.136 0.198 1.00 . A A . 8 TRP N 1 1 15 4050 1 1 8 TRP NE1 N -3.771 4.493 4.346 1.00 . A A . 8 TRP NE1 1 1 15 4051 1 1 8 TRP O O -3.298 1.104 -1.625 1.00 . A A . 8 TRP O 1 1 15 4052 1 1 9 LYS C C 0.289 3.197 -2.608 1.00 . A A . 9 LYS C 1 1 15 4053 1 1 9 LYS CA C -0.960 2.319 -2.511 1.00 . A A . 9 LYS CA 1 1 15 4054 1 1 9 LYS CB C -1.826 2.341 -3.772 1.00 . A A . 9 LYS CB 1 1 15 4055 1 1 9 LYS CD C -2.425 1.016 -5.832 1.00 . A A . 9 LYS CD 1 1 15 4056 1 1 9 LYS CE C -2.048 1.621 -7.186 1.00 . A A . 9 LYS CE 1 1 15 4057 1 1 9 LYS CG C -1.347 1.299 -4.784 1.00 . A A . 9 LYS CG 1 1 15 4058 1 1 9 LYS H H -1.377 3.504 -0.849 1.00 . A A . 9 LYS H 1 1 15 4059 1 1 9 LYS HA H -0.647 1.287 -2.353 1.00 . A A . 9 LYS HA 1 1 15 4060 1 1 9 LYS HB2 H -2.865 2.145 -3.507 1.00 . A A . 9 LYS HB2 1 1 15 4061 1 1 9 LYS HB3 H -1.794 3.333 -4.222 1.00 . A A . 9 LYS HB3 1 1 15 4062 1 1 9 LYS HD2 H -2.562 -0.061 -5.936 1.00 . A A . 9 LYS HD2 1 1 15 4063 1 1 9 LYS HD3 H -3.378 1.427 -5.499 1.00 . A A . 9 LYS HD3 1 1 15 4064 1 1 9 LYS HE2 H -1.493 2.546 -7.035 1.00 . A A . 9 LYS HE2 1 1 15 4065 1 1 9 LYS HE3 H -1.390 0.939 -7.725 1.00 . A A . 9 LYS HE3 1 1 15 4066 1 1 9 LYS HG2 H -0.441 1.656 -5.277 1.00 . A A . 9 LYS HG2 1 1 15 4067 1 1 9 LYS HG3 H -1.086 0.376 -4.267 1.00 . A A . 9 LYS HG3 1 1 15 4068 1 1 9 LYS HZ1 H -4.044 2.014 -7.381 1.00 . A A . 9 LYS HZ1 1 1 15 4069 1 1 9 LYS HZ2 H -3.124 2.719 -8.532 1.00 . A A . 9 LYS HZ2 1 1 15 4070 1 1 9 LYS HZ3 H -3.434 1.116 -8.601 1.00 . A A . 9 LYS HZ3 1 1 15 4071 1 1 9 LYS N N -1.739 2.720 -1.351 1.00 . A A . 9 LYS N 1 1 15 4072 1 1 9 LYS NZ N -3.261 1.889 -7.990 1.00 . A A . 9 LYS NZ 1 1 15 4073 1 1 9 LYS O O 0.613 3.707 -3.680 1.00 . A A . 9 LYS O 1 1 15 4074 1 1 10 LYS C C 3.341 3.342 -1.968 1.00 . A A . 10 LYS C 1 1 15 4075 1 1 10 LYS CA C 2.165 4.152 -1.417 1.00 . A A . 10 LYS CA 1 1 15 4076 1 1 10 LYS CB C 2.392 4.678 0.001 1.00 . A A . 10 LYS CB 1 1 15 4077 1 1 10 LYS CD C 1.938 7.156 0.105 1.00 . A A . 10 LYS CD 1 1 15 4078 1 1 10 LYS CE C 2.553 8.555 0.026 1.00 . A A . 10 LYS CE 1 1 15 4079 1 1 10 LYS CG C 3.013 6.076 -0.026 1.00 . A A . 10 LYS CG 1 1 15 4080 1 1 10 LYS H H 0.689 2.927 -0.607 1.00 . A A . 10 LYS H 1 1 15 4081 1 1 10 LYS HA H 2.010 5.018 -2.061 1.00 . A A . 10 LYS HA 1 1 15 4082 1 1 10 LYS HB2 H 1.444 4.707 0.538 1.00 . A A . 10 LYS HB2 1 1 15 4083 1 1 10 LYS HB3 H 3.046 3.996 0.546 1.00 . A A . 10 LYS HB3 1 1 15 4084 1 1 10 LYS HD2 H 1.198 7.035 -0.686 1.00 . A A . 10 LYS HD2 1 1 15 4085 1 1 10 LYS HD3 H 1.413 7.039 1.053 1.00 . A A . 10 LYS HD3 1 1 15 4086 1 1 10 LYS HE2 H 3.140 8.650 -0.887 1.00 . A A . 10 LYS HE2 1 1 15 4087 1 1 10 LYS HE3 H 1.763 9.305 -0.024 1.00 . A A . 10 LYS HE3 1 1 15 4088 1 1 10 LYS HG2 H 3.733 6.173 0.788 1.00 . A A . 10 LYS HG2 1 1 15 4089 1 1 10 LYS HG3 H 3.564 6.216 -0.957 1.00 . A A . 10 LYS HG3 1 1 15 4090 1 1 10 LYS HZ1 H 2.988 8.415 2.019 1.00 . A A . 10 LYS HZ1 1 1 15 4091 1 1 10 LYS HZ2 H 4.309 8.392 1.059 1.00 . A A . 10 LYS HZ2 1 1 15 4092 1 1 10 LYS HZ3 H 3.522 9.797 1.329 1.00 . A A . 10 LYS HZ3 1 1 15 4093 1 1 10 LYS N N 0.958 3.345 -1.474 1.00 . A A . 10 LYS N 1 1 15 4094 1 1 10 LYS NZ N 3.412 8.811 1.204 1.00 . A A . 10 LYS NZ 1 1 15 4095 1 1 10 LYS O O 3.143 2.369 -2.693 1.00 . A A . 10 LYS O 1 1 15 4096 1 1 11 ALA C C 6.726 2.989 -0.883 1.00 . A A . 11 ALA C 1 1 15 4097 1 1 11 ALA CA C 5.746 3.103 -2.053 1.00 . A A . 11 ALA CA 1 1 15 4098 1 1 11 ALA CB C 6.342 3.862 -3.240 1.00 . A A . 11 ALA CB 1 1 15 4099 1 1 11 ALA H H 4.691 4.569 -1.014 1.00 . A A . 11 ALA H 1 1 15 4100 1 1 11 ALA HA H 5.467 2.103 -2.381 1.00 . A A . 11 ALA HA 1 1 15 4101 1 1 11 ALA HB1 H 5.932 3.465 -4.168 1.00 . A A . 11 ALA HB1 1 1 15 4102 1 1 11 ALA HB2 H 6.092 4.920 -3.158 1.00 . A A . 11 ALA HB2 1 1 15 4103 1 1 11 ALA HB3 H 7.425 3.743 -3.241 1.00 . A A . 11 ALA HB3 1 1 15 4104 1 1 11 ALA N N 4.539 3.775 -1.605 1.00 . A A . 11 ALA N 1 1 15 4105 1 1 11 ALA O O 6.597 2.096 -0.047 1.00 . A A . 11 ALA O 1 1 15 4106 1 1 12 LYS C C 9.149 2.487 0.463 1.00 . A A . 12 LYS C 1 1 15 4107 1 1 12 LYS CA C 8.683 3.918 0.191 1.00 . A A . 12 LYS CA 1 1 15 4108 1 1 12 LYS CB C 8.148 4.637 1.430 1.00 . A A . 12 LYS CB 1 1 15 4109 1 1 12 LYS CD C 9.483 6.519 2.447 1.00 . A A . 12 LYS CD 1 1 15 4110 1 1 12 LYS CE C 10.474 6.898 3.550 1.00 . A A . 12 LYS CE 1 1 15 4111 1 1 12 LYS CG C 9.285 5.003 2.387 1.00 . A A . 12 LYS CG 1 1 15 4112 1 1 12 LYS H H 7.779 4.628 -1.546 1.00 . A A . 12 LYS H 1 1 15 4113 1 1 12 LYS HA H 9.534 4.495 -0.174 1.00 . A A . 12 LYS HA 1 1 15 4114 1 1 12 LYS HB2 H 7.615 5.539 1.131 1.00 . A A . 12 LYS HB2 1 1 15 4115 1 1 12 LYS HB3 H 7.428 3.999 1.943 1.00 . A A . 12 LYS HB3 1 1 15 4116 1 1 12 LYS HD2 H 9.847 6.881 1.486 1.00 . A A . 12 LYS HD2 1 1 15 4117 1 1 12 LYS HD3 H 8.526 7.008 2.629 1.00 . A A . 12 LYS HD3 1 1 15 4118 1 1 12 LYS HE2 H 10.661 6.038 4.191 1.00 . A A . 12 LYS HE2 1 1 15 4119 1 1 12 LYS HE3 H 11.428 7.180 3.107 1.00 . A A . 12 LYS HE3 1 1 15 4120 1 1 12 LYS HG2 H 9.064 4.621 3.383 1.00 . A A . 12 LYS HG2 1 1 15 4121 1 1 12 LYS HG3 H 10.207 4.524 2.059 1.00 . A A . 12 LYS HG3 1 1 15 4122 1 1 12 LYS HZ1 H 10.448 8.855 4.138 1.00 . A A . 12 LYS HZ1 1 1 15 4123 1 1 12 LYS HZ2 H 8.975 8.151 4.152 1.00 . A A . 12 LYS HZ2 1 1 15 4124 1 1 12 LYS HZ3 H 10.054 7.811 5.330 1.00 . A A . 12 LYS HZ3 1 1 15 4125 1 1 12 LYS N N 7.682 3.905 -0.863 1.00 . A A . 12 LYS N 1 1 15 4126 1 1 12 LYS NZ N 9.944 8.020 4.358 1.00 . A A . 12 LYS NZ 1 1 15 4127 1 1 12 LYS O O 8.897 1.871 1.499 1.00 . A A . 12 LYS O 1 1 15 4128 1 1 13 DPR C C 9.598 -0.643 -0.299 1.00 . A A . 13 DPR C 1 1 15 4129 1 1 13 DPR CA C 10.558 0.599 -0.377 1.00 . A A . 13 DPR CA 1 1 15 4130 1 1 13 DPR CB C 11.505 0.627 -1.596 1.00 . A A . 13 DPR CB 1 1 15 4131 1 1 13 DPR CD C 10.014 2.501 -1.888 1.00 . A A . 13 DPR CD 1 1 15 4132 1 1 13 DPR CG C 10.746 1.411 -2.671 1.00 . A A . 13 DPR CG 1 1 15 4133 1 1 13 DPR HA H 11.186 0.590 0.537 1.00 . A A . 13 DPR HA 1 1 15 4134 1 1 13 DPR HB2 H 11.799 -0.383 -1.938 1.00 . A A . 13 DPR HB2 1 1 15 4135 1 1 13 DPR HB3 H 12.445 1.152 -1.335 1.00 . A A . 13 DPR HB3 1 1 15 4136 1 1 13 DPR HD2 H 9.033 2.741 -2.343 1.00 . A A . 13 DPR HD2 1 1 15 4137 1 1 13 DPR HD3 H 10.612 3.433 -1.859 1.00 . A A . 13 DPR HD3 1 1 15 4138 1 1 13 DPR HG2 H 11.408 1.818 -3.458 1.00 . A A . 13 DPR HG2 1 1 15 4139 1 1 13 DPR HG3 H 10.014 0.748 -3.173 1.00 . A A . 13 DPR HG3 1 1 15 4140 1 1 13 DPR N N 9.879 1.921 -0.535 1.00 . A A . 13 DPR N 1 1 15 4141 1 1 13 DPR O O 8.374 -0.529 -0.388 1.00 . A A . 13 DPR O 1 1 15 4142 1 1 14 PRO C C 8.208 -3.311 0.722 1.00 . A A . 14 PRO C 1 1 15 4143 1 1 14 PRO CA C 9.416 -3.115 -0.258 1.00 . A A . 14 PRO CA 1 1 15 4144 1 1 14 PRO CB C 10.550 -4.155 -0.107 1.00 . A A . 14 PRO CB 1 1 15 4145 1 1 14 PRO CD C 11.593 -1.998 0.250 1.00 . A A . 14 PRO CD 1 1 15 4146 1 1 14 PRO CG C 11.653 -3.458 0.701 1.00 . A A . 14 PRO CG 1 1 15 4147 1 1 14 PRO HA H 8.998 -3.215 -1.280 1.00 . A A . 14 PRO HA 1 1 15 4148 1 1 14 PRO HB2 H 10.217 -5.103 0.359 1.00 . A A . 14 PRO HB2 1 1 15 4149 1 1 14 PRO HB3 H 10.938 -4.428 -1.108 1.00 . A A . 14 PRO HB3 1 1 15 4150 1 1 14 PRO HD2 H 11.877 -1.293 1.057 1.00 . A A . 14 PRO HD2 1 1 15 4151 1 1 14 PRO HD3 H 12.266 -1.806 -0.610 1.00 . A A . 14 PRO HD3 1 1 15 4152 1 1 14 PRO HG2 H 11.438 -3.530 1.784 1.00 . A A . 14 PRO HG2 1 1 15 4153 1 1 14 PRO HG3 H 12.651 -3.908 0.540 1.00 . A A . 14 PRO HG3 1 1 15 4154 1 1 14 PRO N N 10.185 -1.848 -0.157 1.00 . A A . 14 PRO N 1 1 15 4155 1 1 14 PRO O O 7.575 -2.353 1.149 1.00 . A A . 14 PRO O 1 1 16 4156 1 1 1 THR C C 6.831 -2.392 1.000 1.00 . A A . 1 THR C 1 1 16 4157 1 1 1 THR CA C 7.774 -3.589 0.860 1.00 . A A . 1 THR CA 1 1 16 4158 1 1 1 THR CB C 8.353 -4.065 2.194 1.00 . A A . 1 THR CB 1 1 16 4159 1 1 1 THR CG2 C 9.234 -3.005 2.861 1.00 . A A . 1 THR CG2 1 1 16 4160 1 1 1 THR H1 H 9.715 -2.961 0.444 1.00 . A A . 1 THR H1 1 1 16 4161 1 1 1 THR HA H 7.199 -4.396 0.406 1.00 . A A . 1 THR HA 1 1 16 4162 1 1 1 THR HB H 8.896 -5.000 2.070 1.00 . A A . 1 THR HB 1 1 16 4163 1 1 1 THR HG1 H 6.886 -3.247 3.283 1.00 . A A . 1 THR HG1 1 1 16 4164 1 1 1 THR HG21 H 8.905 -2.853 3.888 1.00 . A A . 1 THR HG21 1 1 16 4165 1 1 1 THR HG22 H 10.271 -3.340 2.857 1.00 . A A . 1 THR HG22 1 1 16 4166 1 1 1 THR HG23 H 9.153 -2.067 2.311 1.00 . A A . 1 THR HG23 1 1 16 4167 1 1 1 THR N N 8.882 -3.261 -0.020 1.00 . A A . 1 THR N 1 1 16 4168 1 1 1 THR O O 6.968 -1.594 1.927 1.00 . A A . 1 THR O 1 1 16 4169 1 1 1 THR OG1 O 7.219 -4.161 3.052 1.00 . A A . 1 THR OG1 1 1 16 4170 1 1 2 TRP C C 3.699 -1.684 0.852 1.00 . A A . 2 TRP C 1 1 16 4171 1 1 2 TRP CA C 4.931 -1.217 0.073 1.00 . A A . 2 TRP CA 1 1 16 4172 1 1 2 TRP CB C 4.603 -0.766 -1.351 1.00 . A A . 2 TRP CB 1 1 16 4173 1 1 2 TRP CD1 C 5.982 -2.359 -2.842 1.00 . A A . 2 TRP CD1 1 1 16 4174 1 1 2 TRP CD2 C 3.797 -2.532 -3.164 1.00 . A A . 2 TRP CD2 1 1 16 4175 1 1 2 TRP CE2 C 4.412 -3.428 -4.015 1.00 . A A . 2 TRP CE2 1 1 16 4176 1 1 2 TRP CE3 C 2.398 -2.398 -3.128 1.00 . A A . 2 TRP CE3 1 1 16 4177 1 1 2 TRP CG C 4.820 -1.847 -2.412 1.00 . A A . 2 TRP CG 1 1 16 4178 1 1 2 TRP CH2 C 2.311 -4.144 -4.873 1.00 . A A . 2 TRP CH2 1 1 16 4179 1 1 2 TRP CZ2 C 3.705 -4.261 -4.892 1.00 . A A . 2 TRP CZ2 1 1 16 4180 1 1 2 TRP CZ3 C 1.707 -3.237 -4.011 1.00 . A A . 2 TRP CZ3 1 1 16 4181 1 1 2 TRP H H 5.790 -2.957 -0.684 1.00 . A A . 2 TRP H 1 1 16 4182 1 1 2 TRP HA H 5.390 -0.367 0.577 1.00 . A A . 2 TRP HA 1 1 16 4183 1 1 2 TRP HB2 H 3.563 -0.439 -1.387 1.00 . A A . 2 TRP HB2 1 1 16 4184 1 1 2 TRP HB3 H 5.217 0.100 -1.598 1.00 . A A . 2 TRP HB3 1 1 16 4185 1 1 2 TRP HD1 H 6.961 -2.055 -2.471 1.00 . A A . 2 TRP HD1 1 1 16 4186 1 1 2 TRP HE1 H 6.557 -3.889 -4.325 1.00 . A A . 2 TRP HE1 1 1 16 4187 1 1 2 TRP HE3 H 1.888 -1.698 -2.467 1.00 . A A . 2 TRP HE3 1 1 16 4188 1 1 2 TRP HH2 H 1.701 -4.763 -5.531 1.00 . A A . 2 TRP HH2 1 1 16 4189 1 1 2 TRP HZ2 H 4.215 -4.961 -5.553 1.00 . A A . 2 TRP HZ2 1 1 16 4190 1 1 2 TRP HZ3 H 0.618 -3.173 -4.023 1.00 . A A . 2 TRP HZ3 1 1 16 4191 1 1 2 TRP N N 5.896 -2.303 0.067 1.00 . A A . 2 TRP N 1 1 16 4192 1 1 2 TRP NE1 N 5.782 -3.320 -3.812 1.00 . A A . 2 TRP NE1 1 1 16 4193 1 1 2 TRP O O 3.395 -1.151 1.918 1.00 . A A . 2 TRP O 1 1 16 4194 1 1 3 LEU C C 0.695 -2.197 0.815 1.00 . A A . 3 LEU C 1 1 16 4195 1 1 3 LEU CA C 1.830 -3.218 0.915 1.00 . A A . 3 LEU CA 1 1 16 4196 1 1 3 LEU CB C 2.134 -3.661 2.348 1.00 . A A . 3 LEU CB 1 1 16 4197 1 1 3 LEU CD1 C 2.705 -5.528 3.943 1.00 . A A . 3 LEU CD1 1 1 16 4198 1 1 3 LEU CD2 C 0.563 -5.620 2.587 1.00 . A A . 3 LEU CD2 1 1 16 4199 1 1 3 LEU CG C 2.023 -5.162 2.623 1.00 . A A . 3 LEU CG 1 1 16 4200 1 1 3 LEU H H 3.276 -3.101 -0.580 1.00 . A A . 3 LEU H 1 1 16 4201 1 1 3 LEU HA H 1.544 -4.108 0.356 1.00 . A A . 3 LEU HA 1 1 16 4202 1 1 3 LEU HB2 H 3.144 -3.339 2.600 1.00 . A A . 3 LEU HB2 1 1 16 4203 1 1 3 LEU HB3 H 1.455 -3.137 3.021 1.00 . A A . 3 LEU HB3 1 1 16 4204 1 1 3 LEU HD11 H 2.070 -5.227 4.776 1.00 . A A . 3 LEU HD11 1 1 16 4205 1 1 3 LEU HD12 H 2.866 -6.606 3.981 1.00 . A A . 3 LEU HD12 1 1 16 4206 1 1 3 LEU HD13 H 3.664 -5.015 4.011 1.00 . A A . 3 LEU HD13 1 1 16 4207 1 1 3 LEU HD21 H 0.478 -6.600 3.055 1.00 . A A . 3 LEU HD21 1 1 16 4208 1 1 3 LEU HD22 H -0.056 -4.904 3.127 1.00 . A A . 3 LEU HD22 1 1 16 4209 1 1 3 LEU HD23 H 0.227 -5.681 1.551 1.00 . A A . 3 LEU HD23 1 1 16 4210 1 1 3 LEU HG H 2.547 -5.695 1.830 1.00 . A A . 3 LEU HG 1 1 16 4211 1 1 3 LEU N N 3.022 -2.673 0.288 1.00 . A A . 3 LEU N 1 1 16 4212 1 1 3 LEU O O 0.750 -1.279 -0.002 1.00 . A A . 3 LEU O 1 1 16 4213 1 1 4 LYS C C -2.257 -1.682 0.384 1.00 . A A . 4 LYS C 1 1 16 4214 1 1 4 LYS CA C -1.456 -1.499 1.674 1.00 . A A . 4 LYS CA 1 1 16 4215 1 1 4 LYS CB C -1.008 -0.056 1.921 1.00 . A A . 4 LYS CB 1 1 16 4216 1 1 4 LYS CD C -1.155 1.894 3.513 1.00 . A A . 4 LYS CD 1 1 16 4217 1 1 4 LYS CE C -1.747 2.378 4.839 1.00 . A A . 4 LYS CE 1 1 16 4218 1 1 4 LYS CG C -1.345 0.385 3.347 1.00 . A A . 4 LYS CG 1 1 16 4219 1 1 4 LYS H H -0.346 -3.139 2.320 1.00 . A A . 4 LYS H 1 1 16 4220 1 1 4 LYS HA H -2.084 -1.790 2.515 1.00 . A A . 4 LYS HA 1 1 16 4221 1 1 4 LYS HB2 H 0.065 0.030 1.753 1.00 . A A . 4 LYS HB2 1 1 16 4222 1 1 4 LYS HB3 H -1.497 0.607 1.207 1.00 . A A . 4 LYS HB3 1 1 16 4223 1 1 4 LYS HD2 H -0.094 2.138 3.474 1.00 . A A . 4 LYS HD2 1 1 16 4224 1 1 4 LYS HD3 H -1.634 2.417 2.685 1.00 . A A . 4 LYS HD3 1 1 16 4225 1 1 4 LYS HE2 H -2.064 3.417 4.745 1.00 . A A . 4 LYS HE2 1 1 16 4226 1 1 4 LYS HE3 H -2.635 1.795 5.082 1.00 . A A . 4 LYS HE3 1 1 16 4227 1 1 4 LYS HG2 H -2.374 0.116 3.582 1.00 . A A . 4 LYS HG2 1 1 16 4228 1 1 4 LYS HG3 H -0.708 -0.145 4.055 1.00 . A A . 4 LYS HG3 1 1 16 4229 1 1 4 LYS HZ1 H -0.893 1.392 6.412 1.00 . A A . 4 LYS HZ1 1 1 16 4230 1 1 4 LYS HZ2 H 0.171 2.268 5.537 1.00 . A A . 4 LYS HZ2 1 1 16 4231 1 1 4 LYS HZ3 H -0.856 3.017 6.563 1.00 . A A . 4 LYS HZ3 1 1 16 4232 1 1 4 LYS N N -0.309 -2.391 1.658 1.00 . A A . 4 LYS N 1 1 16 4233 1 1 4 LYS NZ N -0.750 2.254 5.926 1.00 . A A . 4 LYS NZ 1 1 16 4234 1 1 4 LYS O O -1.681 -1.826 -0.693 1.00 . A A . 4 LYS O 1 1 16 4235 1 1 5 LYS C C -5.691 -0.943 -0.419 1.00 . A A . 5 LYS C 1 1 16 4236 1 1 5 LYS CA C -4.459 -1.833 -0.604 1.00 . A A . 5 LYS CA 1 1 16 4237 1 1 5 LYS CB C -4.795 -3.310 -0.816 1.00 . A A . 5 LYS CB 1 1 16 4238 1 1 5 LYS CD C -4.071 -5.472 -1.894 1.00 . A A . 5 LYS CD 1 1 16 4239 1 1 5 LYS CE C -2.828 -6.280 -2.274 1.00 . A A . 5 LYS CE 1 1 16 4240 1 1 5 LYS CG C -3.718 -4.003 -1.653 1.00 . A A . 5 LYS CG 1 1 16 4241 1 1 5 LYS H H -4.033 -1.553 1.415 1.00 . A A . 5 LYS H 1 1 16 4242 1 1 5 LYS HA H -3.919 -1.495 -1.489 1.00 . A A . 5 LYS HA 1 1 16 4243 1 1 5 LYS HB2 H -4.887 -3.808 0.150 1.00 . A A . 5 LYS HB2 1 1 16 4244 1 1 5 LYS HB3 H -5.761 -3.401 -1.313 1.00 . A A . 5 LYS HB3 1 1 16 4245 1 1 5 LYS HD2 H -4.524 -5.894 -0.997 1.00 . A A . 5 LYS HD2 1 1 16 4246 1 1 5 LYS HD3 H -4.814 -5.545 -2.690 1.00 . A A . 5 LYS HD3 1 1 16 4247 1 1 5 LYS HE2 H -2.685 -6.251 -3.354 1.00 . A A . 5 LYS HE2 1 1 16 4248 1 1 5 LYS HE3 H -1.944 -5.831 -1.822 1.00 . A A . 5 LYS HE3 1 1 16 4249 1 1 5 LYS HG2 H -3.608 -3.490 -2.607 1.00 . A A . 5 LYS HG2 1 1 16 4250 1 1 5 LYS HG3 H -2.757 -3.936 -1.143 1.00 . A A . 5 LYS HG3 1 1 16 4251 1 1 5 LYS HZ1 H -3.892 -8.007 -2.018 1.00 . A A . 5 LYS HZ1 1 1 16 4252 1 1 5 LYS HZ2 H -2.304 -8.255 -2.308 1.00 . A A . 5 LYS HZ2 1 1 16 4253 1 1 5 LYS HZ3 H -2.793 -7.736 -0.839 1.00 . A A . 5 LYS HZ3 1 1 16 4254 1 1 5 LYS N N -3.573 -1.670 0.535 1.00 . A A . 5 LYS N 1 1 16 4255 1 1 5 LYS NZ N -2.966 -7.684 -1.824 1.00 . A A . 5 LYS NZ 1 1 16 4256 1 1 5 LYS O O -5.966 -0.481 0.687 1.00 . A A . 5 LYS O 1 1 16 4257 1 1 6 ARG C C -7.230 1.543 -1.151 1.00 . A A . 6 ARG C 1 1 16 4258 1 1 6 ARG CA C -7.593 0.096 -1.491 1.00 . A A . 6 ARG CA 1 1 16 4259 1 1 6 ARG CB C -8.599 -0.425 -0.463 1.00 . A A . 6 ARG CB 1 1 16 4260 1 1 6 ARG CD C -11.012 -1.029 -0.048 1.00 . A A . 6 ARG CD 1 1 16 4261 1 1 6 ARG CG C -10.023 -0.385 -1.021 1.00 . A A . 6 ARG CG 1 1 16 4262 1 1 6 ARG CZ C -11.966 -2.922 -1.357 1.00 . A A . 6 ARG CZ 1 1 16 4263 1 1 6 ARG H H -6.168 -1.110 -2.414 1.00 . A A . 6 ARG H 1 1 16 4264 1 1 6 ARG HA H -8.007 0.021 -2.497 1.00 . A A . 6 ARG HA 1 1 16 4265 1 1 6 ARG HB2 H -8.343 -1.447 -0.184 1.00 . A A . 6 ARG HB2 1 1 16 4266 1 1 6 ARG HB3 H -8.543 0.177 0.443 1.00 . A A . 6 ARG HB3 1 1 16 4267 1 1 6 ARG HD2 H -10.651 -0.920 0.975 1.00 . A A . 6 ARG HD2 1 1 16 4268 1 1 6 ARG HD3 H -11.974 -0.519 -0.102 1.00 . A A . 6 ARG HD3 1 1 16 4269 1 1 6 ARG HE H -10.680 -3.131 0.177 1.00 . A A . 6 ARG HE 1 1 16 4270 1 1 6 ARG HG2 H -10.315 0.647 -1.211 1.00 . A A . 6 ARG HG2 1 1 16 4271 1 1 6 ARG HG3 H -10.058 -0.908 -1.978 1.00 . A A . 6 ARG HG3 1 1 16 4272 1 1 6 ARG HH11 H -12.587 -1.080 -1.954 1.00 . A A . 6 ARG HH11 1 1 16 4273 1 1 6 ARG HH12 H -13.242 -2.407 -2.854 1.00 . A A . 6 ARG HH12 1 1 16 4274 1 1 6 ARG HH21 H -11.544 -4.882 -1.011 1.00 . A A . 6 ARG HH21 1 1 16 4275 1 1 6 ARG HH22 H -12.644 -4.584 -2.315 1.00 . A A . 6 ARG HH22 1 1 16 4276 1 1 6 ARG N N -6.398 -0.730 -1.519 1.00 . A A . 6 ARG N 1 1 16 4277 1 1 6 ARG NE N -11.182 -2.464 -0.373 1.00 . A A . 6 ARG NE 1 1 16 4278 1 1 6 ARG NH1 N -12.657 -2.064 -2.119 1.00 . A A . 6 ARG NH1 1 1 16 4279 1 1 6 ARG NH2 N -12.059 -4.241 -1.580 1.00 . A A . 6 ARG NH2 1 1 16 4280 1 1 6 ARG O O -6.119 1.991 -1.431 1.00 . A A . 6 ARG O 1 1 16 4281 1 1 7 ARG C C -6.571 3.818 0.381 1.00 . A A . 7 ARG C 1 1 16 4282 1 1 7 ARG CA C -7.984 3.621 -0.171 1.00 . A A . 7 ARG CA 1 1 16 4283 1 1 7 ARG CB C -9.001 4.059 0.885 1.00 . A A . 7 ARG CB 1 1 16 4284 1 1 7 ARG CD C -11.002 5.354 0.059 1.00 . A A . 7 ARG CD 1 1 16 4285 1 1 7 ARG CG C -9.561 5.447 0.566 1.00 . A A . 7 ARG CG 1 1 16 4286 1 1 7 ARG CZ C -11.597 7.700 -0.532 1.00 . A A . 7 ARG CZ 1 1 16 4287 1 1 7 ARG H H -9.090 1.863 -0.327 1.00 . A A . 7 ARG H 1 1 16 4288 1 1 7 ARG HA H -8.128 4.187 -1.091 1.00 . A A . 7 ARG HA 1 1 16 4289 1 1 7 ARG HB2 H -9.817 3.336 0.931 1.00 . A A . 7 ARG HB2 1 1 16 4290 1 1 7 ARG HB3 H -8.530 4.069 1.867 1.00 . A A . 7 ARG HB3 1 1 16 4291 1 1 7 ARG HD2 H -11.164 4.392 -0.425 1.00 . A A . 7 ARG HD2 1 1 16 4292 1 1 7 ARG HD3 H -11.695 5.411 0.898 1.00 . A A . 7 ARG HD3 1 1 16 4293 1 1 7 ARG HE H -11.211 6.249 -1.873 1.00 . A A . 7 ARG HE 1 1 16 4294 1 1 7 ARG HG2 H -9.525 6.071 1.459 1.00 . A A . 7 ARG HG2 1 1 16 4295 1 1 7 ARG HG3 H -8.937 5.930 -0.185 1.00 . A A . 7 ARG HG3 1 1 16 4296 1 1 7 ARG HH11 H -11.522 7.322 1.464 1.00 . A A . 7 ARG HH11 1 1 16 4297 1 1 7 ARG HH12 H -11.935 8.949 1.037 1.00 . A A . 7 ARG HH12 1 1 16 4298 1 1 7 ARG HH21 H -11.756 8.396 -2.437 1.00 . A A . 7 ARG HH21 1 1 16 4299 1 1 7 ARG HH22 H -12.070 9.563 -1.197 1.00 . A A . 7 ARG HH22 1 1 16 4300 1 1 7 ARG N N -8.188 2.234 -0.552 1.00 . A A . 7 ARG N 1 1 16 4301 1 1 7 ARG NE N -11.273 6.452 -0.896 1.00 . A A . 7 ARG NE 1 1 16 4302 1 1 7 ARG NH1 N -11.693 8.017 0.766 1.00 . A A . 7 ARG NH1 1 1 16 4303 1 1 7 ARG NH2 N -11.827 8.632 -1.468 1.00 . A A . 7 ARG NH2 1 1 16 4304 1 1 7 ARG O O -6.007 4.906 0.282 1.00 . A A . 7 ARG O 1 1 16 4305 1 1 8 TRP C C -3.696 2.719 0.368 1.00 . A A . 8 TRP C 1 1 16 4306 1 1 8 TRP CA C -4.702 2.787 1.519 1.00 . A A . 8 TRP CA 1 1 16 4307 1 1 8 TRP CB C -4.509 1.670 2.548 1.00 . A A . 8 TRP CB 1 1 16 4308 1 1 8 TRP CD1 C -4.952 2.651 4.893 1.00 . A A . 8 TRP CD1 1 1 16 4309 1 1 8 TRP CD2 C -6.550 1.280 4.202 1.00 . A A . 8 TRP CD2 1 1 16 4310 1 1 8 TRP CE2 C -6.907 1.730 5.457 1.00 . A A . 8 TRP CE2 1 1 16 4311 1 1 8 TRP CE3 C -7.364 0.386 3.486 1.00 . A A . 8 TRP CE3 1 1 16 4312 1 1 8 TRP CG C -5.286 1.882 3.848 1.00 . A A . 8 TRP CG 1 1 16 4313 1 1 8 TRP CH2 C -8.912 0.450 5.410 1.00 . A A . 8 TRP CH2 1 1 16 4314 1 1 8 TRP CZ2 C -8.085 1.340 6.105 1.00 . A A . 8 TRP CZ2 1 1 16 4315 1 1 8 TRP CZ3 C -8.538 0.006 4.147 1.00 . A A . 8 TRP CZ3 1 1 16 4316 1 1 8 TRP H H -6.504 1.864 1.028 1.00 . A A . 8 TRP H 1 1 16 4317 1 1 8 TRP HA H -4.594 3.731 2.053 1.00 . A A . 8 TRP HA 1 1 16 4318 1 1 8 TRP HB2 H -4.815 0.723 2.103 1.00 . A A . 8 TRP HB2 1 1 16 4319 1 1 8 TRP HB3 H -3.448 1.585 2.781 1.00 . A A . 8 TRP HB3 1 1 16 4320 1 1 8 TRP HD1 H -4.044 3.250 4.949 1.00 . A A . 8 TRP HD1 1 1 16 4321 1 1 8 TRP HE1 H -5.876 3.120 6.843 1.00 . A A . 8 TRP HE1 1 1 16 4322 1 1 8 TRP HE3 H -7.105 0.016 2.494 1.00 . A A . 8 TRP HE3 1 1 16 4323 1 1 8 TRP HH2 H -9.845 0.105 5.858 1.00 . A A . 8 TRP HH2 1 1 16 4324 1 1 8 TRP HZ2 H -8.344 1.710 7.097 1.00 . A A . 8 TRP HZ2 1 1 16 4325 1 1 8 TRP HZ3 H -9.206 -0.687 3.635 1.00 . A A . 8 TRP HZ3 1 1 16 4326 1 1 8 TRP N N -6.038 2.746 0.951 1.00 . A A . 8 TRP N 1 1 16 4327 1 1 8 TRP NE1 N -5.904 2.590 5.890 1.00 . A A . 8 TRP NE1 1 1 16 4328 1 1 8 TRP O O -3.400 3.732 -0.262 1.00 . A A . 8 TRP O 1 1 16 4329 1 1 9 LYS C C -1.182 2.410 -0.895 1.00 . A A . 9 LYS C 1 1 16 4330 1 1 9 LYS CA C -2.235 1.301 -0.937 1.00 . A A . 9 LYS CA 1 1 16 4331 1 1 9 LYS CB C -2.944 1.177 -2.286 1.00 . A A . 9 LYS CB 1 1 16 4332 1 1 9 LYS CD C -2.522 0.341 -4.628 1.00 . A A . 9 LYS CD 1 1 16 4333 1 1 9 LYS CE C -3.351 1.277 -5.509 1.00 . A A . 9 LYS CE 1 1 16 4334 1 1 9 LYS CG C -1.933 1.092 -3.432 1.00 . A A . 9 LYS CG 1 1 16 4335 1 1 9 LYS H H -3.447 0.694 0.645 1.00 . A A . 9 LYS H 1 1 16 4336 1 1 9 LYS HA H -1.741 0.347 -0.744 1.00 . A A . 9 LYS HA 1 1 16 4337 1 1 9 LYS HB2 H -3.579 0.291 -2.289 1.00 . A A . 9 LYS HB2 1 1 16 4338 1 1 9 LYS HB3 H -3.598 2.036 -2.438 1.00 . A A . 9 LYS HB3 1 1 16 4339 1 1 9 LYS HD2 H -1.717 -0.099 -5.217 1.00 . A A . 9 LYS HD2 1 1 16 4340 1 1 9 LYS HD3 H -3.145 -0.480 -4.276 1.00 . A A . 9 LYS HD3 1 1 16 4341 1 1 9 LYS HE2 H -4.375 1.326 -5.135 1.00 . A A . 9 LYS HE2 1 1 16 4342 1 1 9 LYS HE3 H -2.946 2.288 -5.459 1.00 . A A . 9 LYS HE3 1 1 16 4343 1 1 9 LYS HG2 H -1.638 2.096 -3.737 1.00 . A A . 9 LYS HG2 1 1 16 4344 1 1 9 LYS HG3 H -1.031 0.586 -3.088 1.00 . A A . 9 LYS HG3 1 1 16 4345 1 1 9 LYS HZ1 H -4.292 0.652 -7.212 1.00 . A A . 9 LYS HZ1 1 1 16 4346 1 1 9 LYS HZ2 H -2.923 1.496 -7.495 1.00 . A A . 9 LYS HZ2 1 1 16 4347 1 1 9 LYS HZ3 H -2.836 -0.049 -6.976 1.00 . A A . 9 LYS HZ3 1 1 16 4348 1 1 9 LYS N N -3.200 1.514 0.128 1.00 . A A . 9 LYS N 1 1 16 4349 1 1 9 LYS NZ N -3.351 0.806 -6.912 1.00 . A A . 9 LYS NZ 1 1 16 4350 1 1 9 LYS O O -1.380 3.480 -1.467 1.00 . A A . 9 LYS O 1 1 16 4351 1 1 10 LYS C C 2.249 2.514 -0.765 1.00 . A A . 10 LYS C 1 1 16 4352 1 1 10 LYS CA C 0.998 3.075 -0.086 1.00 . A A . 10 LYS CA 1 1 16 4353 1 1 10 LYS CB C 1.213 3.453 1.381 1.00 . A A . 10 LYS CB 1 1 16 4354 1 1 10 LYS CD C 1.455 5.620 2.649 1.00 . A A . 10 LYS CD 1 1 16 4355 1 1 10 LYS CE C 2.038 7.033 2.600 1.00 . A A . 10 LYS CE 1 1 16 4356 1 1 10 LYS CG C 1.993 4.765 1.500 1.00 . A A . 10 LYS CG 1 1 16 4357 1 1 10 LYS H H 0.067 1.242 0.253 1.00 . A A . 10 LYS H 1 1 16 4358 1 1 10 LYS HA H 0.695 3.980 -0.611 1.00 . A A . 10 LYS HA 1 1 16 4359 1 1 10 LYS HB2 H 0.248 3.554 1.880 1.00 . A A . 10 LYS HB2 1 1 16 4360 1 1 10 LYS HB3 H 1.753 2.656 1.891 1.00 . A A . 10 LYS HB3 1 1 16 4361 1 1 10 LYS HD2 H 0.367 5.671 2.591 1.00 . A A . 10 LYS HD2 1 1 16 4362 1 1 10 LYS HD3 H 1.701 5.152 3.603 1.00 . A A . 10 LYS HD3 1 1 16 4363 1 1 10 LYS HE2 H 3.008 7.015 2.102 1.00 . A A . 10 LYS HE2 1 1 16 4364 1 1 10 LYS HE3 H 1.390 7.682 2.012 1.00 . A A . 10 LYS HE3 1 1 16 4365 1 1 10 LYS HG2 H 3.048 4.549 1.666 1.00 . A A . 10 LYS HG2 1 1 16 4366 1 1 10 LYS HG3 H 1.923 5.319 0.565 1.00 . A A . 10 LYS HG3 1 1 16 4367 1 1 10 LYS HZ1 H 2.977 8.192 3.999 1.00 . A A . 10 LYS HZ1 1 1 16 4368 1 1 10 LYS HZ2 H 1.362 8.088 4.215 1.00 . A A . 10 LYS HZ2 1 1 16 4369 1 1 10 LYS HZ3 H 2.322 6.829 4.614 1.00 . A A . 10 LYS HZ3 1 1 16 4370 1 1 10 LYS N N -0.086 2.116 -0.210 1.00 . A A . 10 LYS N 1 1 16 4371 1 1 10 LYS NZ N 2.186 7.580 3.968 1.00 . A A . 10 LYS NZ 1 1 16 4372 1 1 10 LYS O O 2.323 1.320 -1.052 1.00 . A A . 10 LYS O 1 1 16 4373 1 1 11 ALA C C 5.622 3.381 -0.735 1.00 . A A . 11 ALA C 1 1 16 4374 1 1 11 ALA CA C 4.447 3.012 -1.643 1.00 . A A . 11 ALA CA 1 1 16 4375 1 1 11 ALA CB C 4.544 3.675 -3.019 1.00 . A A . 11 ALA CB 1 1 16 4376 1 1 11 ALA H H 3.135 4.372 -0.767 1.00 . A A . 11 ALA H 1 1 16 4377 1 1 11 ALA HA H 4.427 1.931 -1.776 1.00 . A A . 11 ALA HA 1 1 16 4378 1 1 11 ALA HB1 H 4.918 4.693 -2.906 1.00 . A A . 11 ALA HB1 1 1 16 4379 1 1 11 ALA HB2 H 5.226 3.106 -3.650 1.00 . A A . 11 ALA HB2 1 1 16 4380 1 1 11 ALA HB3 H 3.557 3.700 -3.481 1.00 . A A . 11 ALA HB3 1 1 16 4381 1 1 11 ALA N N 3.203 3.403 -1.003 1.00 . A A . 11 ALA N 1 1 16 4382 1 1 11 ALA O O 5.595 4.416 -0.070 1.00 . A A . 11 ALA O 1 1 16 4383 1 1 12 LYS C C 8.712 1.506 0.003 1.00 . A A . 12 LYS C 1 1 16 4384 1 1 12 LYS CA C 7.804 2.737 0.082 1.00 . A A . 12 LYS CA 1 1 16 4385 1 1 12 LYS CB C 7.406 3.116 1.509 1.00 . A A . 12 LYS CB 1 1 16 4386 1 1 12 LYS CD C 7.687 4.801 3.364 1.00 . A A . 12 LYS CD 1 1 16 4387 1 1 12 LYS CE C 8.722 5.765 3.948 1.00 . A A . 12 LYS CE 1 1 16 4388 1 1 12 LYS CG C 8.012 4.463 1.908 1.00 . A A . 12 LYS CG 1 1 16 4389 1 1 12 LYS H H 6.637 1.675 -1.278 1.00 . A A . 12 LYS H 1 1 16 4390 1 1 12 LYS HA H 8.339 3.588 -0.341 1.00 . A A . 12 LYS HA 1 1 16 4391 1 1 12 LYS HB2 H 6.320 3.165 1.587 1.00 . A A . 12 LYS HB2 1 1 16 4392 1 1 12 LYS HB3 H 7.740 2.343 2.202 1.00 . A A . 12 LYS HB3 1 1 16 4393 1 1 12 LYS HD2 H 6.695 5.247 3.425 1.00 . A A . 12 LYS HD2 1 1 16 4394 1 1 12 LYS HD3 H 7.663 3.886 3.957 1.00 . A A . 12 LYS HD3 1 1 16 4395 1 1 12 LYS HE2 H 9.565 5.202 4.353 1.00 . A A . 12 LYS HE2 1 1 16 4396 1 1 12 LYS HE3 H 9.117 6.405 3.159 1.00 . A A . 12 LYS HE3 1 1 16 4397 1 1 12 LYS HG2 H 9.093 4.434 1.771 1.00 . A A . 12 LYS HG2 1 1 16 4398 1 1 12 LYS HG3 H 7.628 5.247 1.255 1.00 . A A . 12 LYS HG3 1 1 16 4399 1 1 12 LYS HZ1 H 7.759 7.440 4.613 1.00 . A A . 12 LYS HZ1 1 1 16 4400 1 1 12 LYS HZ2 H 7.369 6.089 5.444 1.00 . A A . 12 LYS HZ2 1 1 16 4401 1 1 12 LYS HZ3 H 8.808 6.817 5.698 1.00 . A A . 12 LYS HZ3 1 1 16 4402 1 1 12 LYS N N 6.624 2.514 -0.735 1.00 . A A . 12 LYS N 1 1 16 4403 1 1 12 LYS NZ N 8.116 6.595 5.012 1.00 . A A . 12 LYS NZ 1 1 16 4404 1 1 12 LYS O O 8.755 0.632 0.869 1.00 . A A . 12 LYS O 1 1 16 4405 1 1 13 DPR C C 10.036 -1.076 -1.413 1.00 . A A . 13 DPR C 1 1 16 4406 1 1 13 DPR CA C 10.554 0.402 -1.277 1.00 . A A . 13 DPR CA 1 1 16 4407 1 1 13 DPR CB C 11.291 0.961 -2.514 1.00 . A A . 13 DPR CB 1 1 16 4408 1 1 13 DPR CD C 9.275 2.270 -2.313 1.00 . A A . 13 DPR CD 1 1 16 4409 1 1 13 DPR CG C 10.205 1.641 -3.351 1.00 . A A . 13 DPR CG 1 1 16 4410 1 1 13 DPR HA H 11.260 0.429 -0.423 1.00 . A A . 13 DPR HA 1 1 16 4411 1 1 13 DPR HB2 H 11.837 0.182 -3.080 1.00 . A A . 13 DPR HB2 1 1 16 4412 1 1 13 DPR HB3 H 12.050 1.704 -2.198 1.00 . A A . 13 DPR HB3 1 1 16 4413 1 1 13 DPR HD2 H 8.220 2.259 -2.650 1.00 . A A . 13 DPR HD2 1 1 16 4414 1 1 13 DPR HD3 H 9.558 3.323 -2.117 1.00 . A A . 13 DPR HD3 1 1 16 4415 1 1 13 DPR HG2 H 10.610 2.379 -4.068 1.00 . A A . 13 DPR HG2 1 1 16 4416 1 1 13 DPR HG3 H 9.655 0.881 -3.942 1.00 . A A . 13 DPR HG3 1 1 16 4417 1 1 13 DPR N N 9.489 1.436 -1.110 1.00 . A A . 13 DPR N 1 1 16 4418 1 1 13 DPR O O 8.848 -1.337 -1.612 1.00 . A A . 13 DPR O 1 1 16 4419 1 1 14 PRO C C 9.551 -4.166 -0.755 1.00 . A A . 14 PRO C 1 1 16 4420 1 1 14 PRO CA C 10.649 -3.469 -1.629 1.00 . A A . 14 PRO CA 1 1 16 4421 1 1 14 PRO CB C 12.055 -4.105 -1.532 1.00 . A A . 14 PRO CB 1 1 16 4422 1 1 14 PRO CD C 12.339 -1.795 -0.859 1.00 . A A . 14 PRO CD 1 1 16 4423 1 1 14 PRO CG C 12.858 -3.208 -0.582 1.00 . A A . 14 PRO CG 1 1 16 4424 1 1 14 PRO HA H 10.307 -3.560 -2.678 1.00 . A A . 14 PRO HA 1 1 16 4425 1 1 14 PRO HB2 H 12.036 -5.163 -1.203 1.00 . A A . 14 PRO HB2 1 1 16 4426 1 1 14 PRO HB3 H 12.530 -4.106 -2.533 1.00 . A A . 14 PRO HB3 1 1 16 4427 1 1 14 PRO HD2 H 12.365 -1.151 0.042 1.00 . A A . 14 PRO HD2 1 1 16 4428 1 1 14 PRO HD3 H 12.931 -1.289 -1.647 1.00 . A A . 14 PRO HD3 1 1 16 4429 1 1 14 PRO HG2 H 12.657 -3.486 0.471 1.00 . A A . 14 PRO HG2 1 1 16 4430 1 1 14 PRO HG3 H 13.951 -3.293 -0.732 1.00 . A A . 14 PRO HG3 1 1 16 4431 1 1 14 PRO N N 10.967 -2.047 -1.331 1.00 . A A . 14 PRO N 1 1 16 4432 1 1 14 PRO O O 9.687 -5.320 -0.363 1.00 . A A . 14 PRO O 1 1 17 4433 1 1 1 THR C C 5.551 -2.427 1.193 1.00 . A A . 1 THR C 1 1 17 4434 1 1 1 THR CA C 6.770 -1.980 0.383 1.00 . A A . 1 THR CA 1 1 17 4435 1 1 1 THR CB C 7.187 -2.989 -0.690 1.00 . A A . 1 THR CB 1 1 17 4436 1 1 1 THR CG2 C 6.770 -4.419 -0.345 1.00 . A A . 1 THR CG2 1 1 17 4437 1 1 1 THR H1 H 8.272 -0.828 1.250 1.00 . A A . 1 THR H1 1 1 17 4438 1 1 1 THR HA H 6.509 -1.033 -0.090 1.00 . A A . 1 THR HA 1 1 17 4439 1 1 1 THR HB H 8.259 -2.930 -0.881 1.00 . A A . 1 THR HB 1 1 17 4440 1 1 1 THR HG1 H 6.883 -2.829 -2.662 1.00 . A A . 1 THR HG1 1 1 17 4441 1 1 1 THR HG21 H 5.778 -4.616 -0.752 1.00 . A A . 1 THR HG21 1 1 17 4442 1 1 1 THR HG22 H 7.485 -5.120 -0.774 1.00 . A A . 1 THR HG22 1 1 17 4443 1 1 1 THR HG23 H 6.747 -4.539 0.739 1.00 . A A . 1 THR HG23 1 1 17 4444 1 1 1 THR N N 7.907 -1.759 1.258 1.00 . A A . 1 THR N 1 1 17 4445 1 1 1 THR O O 5.677 -3.218 2.126 1.00 . A A . 1 THR O 1 1 17 4446 1 1 1 THR OG1 O 6.381 -2.653 -1.816 1.00 . A A . 1 THR OG1 1 1 17 4447 1 1 2 TRP C C 2.369 -3.188 0.588 1.00 . A A . 2 TRP C 1 1 17 4448 1 1 2 TRP CA C 3.157 -2.233 1.486 1.00 . A A . 2 TRP CA 1 1 17 4449 1 1 2 TRP CB C 2.374 -0.970 1.850 1.00 . A A . 2 TRP CB 1 1 17 4450 1 1 2 TRP CD1 C 3.311 -1.085 4.253 1.00 . A A . 2 TRP CD1 1 1 17 4451 1 1 2 TRP CD2 C 1.826 0.535 3.969 1.00 . A A . 2 TRP CD2 1 1 17 4452 1 1 2 TRP CE2 C 2.244 0.583 5.283 1.00 . A A . 2 TRP CE2 1 1 17 4453 1 1 2 TRP CE3 C 0.876 1.441 3.468 1.00 . A A . 2 TRP CE3 1 1 17 4454 1 1 2 TRP CG C 2.522 -0.546 3.313 1.00 . A A . 2 TRP CG 1 1 17 4455 1 1 2 TRP CH2 C 0.816 2.434 5.730 1.00 . A A . 2 TRP CH2 1 1 17 4456 1 1 2 TRP CZ2 C 1.763 1.520 6.206 1.00 . A A . 2 TRP CZ2 1 1 17 4457 1 1 2 TRP CZ3 C 0.406 2.372 4.403 1.00 . A A . 2 TRP CZ3 1 1 17 4458 1 1 2 TRP H H 4.304 -1.256 0.047 1.00 . A A . 2 TRP H 1 1 17 4459 1 1 2 TRP HA H 3.413 -2.728 2.423 1.00 . A A . 2 TRP HA 1 1 17 4460 1 1 2 TRP HB2 H 2.706 -0.152 1.210 1.00 . A A . 2 TRP HB2 1 1 17 4461 1 1 2 TRP HB3 H 1.319 -1.135 1.635 1.00 . A A . 2 TRP HB3 1 1 17 4462 1 1 2 TRP HD1 H 3.976 -1.932 4.083 1.00 . A A . 2 TRP HD1 1 1 17 4463 1 1 2 TRP HE1 H 3.700 -0.672 6.386 1.00 . A A . 2 TRP HE1 1 1 17 4464 1 1 2 TRP HE3 H 0.530 1.424 2.435 1.00 . A A . 2 TRP HE3 1 1 17 4465 1 1 2 TRP HH2 H 0.401 3.190 6.396 1.00 . A A . 2 TRP HH2 1 1 17 4466 1 1 2 TRP HZ2 H 2.109 1.538 7.240 1.00 . A A . 2 TRP HZ2 1 1 17 4467 1 1 2 TRP HZ3 H -0.333 3.099 4.067 1.00 . A A . 2 TRP HZ3 1 1 17 4468 1 1 2 TRP N N 4.398 -1.899 0.807 1.00 . A A . 2 TRP N 1 1 17 4469 1 1 2 TRP NE1 N 3.175 -0.433 5.461 1.00 . A A . 2 TRP NE1 1 1 17 4470 1 1 2 TRP O O 2.562 -4.401 0.644 1.00 . A A . 2 TRP O 1 1 17 4471 1 1 3 LEU C C -0.117 -2.443 -2.035 1.00 . A A . 3 LEU C 1 1 17 4472 1 1 3 LEU CA C 0.678 -3.387 -1.129 1.00 . A A . 3 LEU CA 1 1 17 4473 1 1 3 LEU CB C -0.197 -4.372 -0.350 1.00 . A A . 3 LEU CB 1 1 17 4474 1 1 3 LEU CD1 C -1.413 -5.144 -2.420 1.00 . A A . 3 LEU CD1 1 1 17 4475 1 1 3 LEU CD2 C 0.424 -6.574 -1.411 1.00 . A A . 3 LEU CD2 1 1 17 4476 1 1 3 LEU CG C -0.708 -5.581 -1.135 1.00 . A A . 3 LEU CG 1 1 17 4477 1 1 3 LEU H H 1.344 -1.616 -0.259 1.00 . A A . 3 LEU H 1 1 17 4478 1 1 3 LEU HA H 1.351 -3.976 -1.750 1.00 . A A . 3 LEU HA 1 1 17 4479 1 1 3 LEU HB2 H 0.372 -4.732 0.507 1.00 . A A . 3 LEU HB2 1 1 17 4480 1 1 3 LEU HB3 H -1.057 -3.830 0.044 1.00 . A A . 3 LEU HB3 1 1 17 4481 1 1 3 LEU HD11 H -1.979 -5.982 -2.827 1.00 . A A . 3 LEU HD11 1 1 17 4482 1 1 3 LEU HD12 H -2.091 -4.319 -2.200 1.00 . A A . 3 LEU HD12 1 1 17 4483 1 1 3 LEU HD13 H -0.671 -4.819 -3.149 1.00 . A A . 3 LEU HD13 1 1 17 4484 1 1 3 LEU HD21 H 0.255 -7.058 -2.373 1.00 . A A . 3 LEU HD21 1 1 17 4485 1 1 3 LEU HD22 H 1.376 -6.041 -1.434 1.00 . A A . 3 LEU HD22 1 1 17 4486 1 1 3 LEU HD23 H 0.448 -7.326 -0.624 1.00 . A A . 3 LEU HD23 1 1 17 4487 1 1 3 LEU HG H -1.446 -6.099 -0.522 1.00 . A A . 3 LEU HG 1 1 17 4488 1 1 3 LEU N N 1.496 -2.603 -0.220 1.00 . A A . 3 LEU N 1 1 17 4489 1 1 3 LEU O O 0.020 -2.489 -3.257 1.00 . A A . 3 LEU O 1 1 17 4490 1 1 4 LYS C C -3.074 -1.315 -2.513 1.00 . A A . 4 LYS C 1 1 17 4491 1 1 4 LYS CA C -1.745 -0.658 -2.135 1.00 . A A . 4 LYS CA 1 1 17 4492 1 1 4 LYS CB C -0.973 -0.101 -3.333 1.00 . A A . 4 LYS CB 1 1 17 4493 1 1 4 LYS CD C -1.824 1.248 -5.286 1.00 . A A . 4 LYS CD 1 1 17 4494 1 1 4 LYS CE C -3.000 2.165 -5.626 1.00 . A A . 4 LYS CE 1 1 17 4495 1 1 4 LYS CG C -1.550 1.243 -3.780 1.00 . A A . 4 LYS CG 1 1 17 4496 1 1 4 LYS H H -1.035 -1.580 -0.408 1.00 . A A . 4 LYS H 1 1 17 4497 1 1 4 LYS HA H -1.951 0.178 -1.468 1.00 . A A . 4 LYS HA 1 1 17 4498 1 1 4 LYS HB2 H 0.078 0.020 -3.069 1.00 . A A . 4 LYS HB2 1 1 17 4499 1 1 4 LYS HB3 H -1.013 -0.812 -4.159 1.00 . A A . 4 LYS HB3 1 1 17 4500 1 1 4 LYS HD2 H -0.933 1.581 -5.820 1.00 . A A . 4 LYS HD2 1 1 17 4501 1 1 4 LYS HD3 H -2.038 0.234 -5.624 1.00 . A A . 4 LYS HD3 1 1 17 4502 1 1 4 LYS HE2 H -3.839 1.952 -4.961 1.00 . A A . 4 LYS HE2 1 1 17 4503 1 1 4 LYS HE3 H -2.719 3.205 -5.461 1.00 . A A . 4 LYS HE3 1 1 17 4504 1 1 4 LYS HG2 H -2.473 1.444 -3.239 1.00 . A A . 4 LYS HG2 1 1 17 4505 1 1 4 LYS HG3 H -0.853 2.043 -3.531 1.00 . A A . 4 LYS HG3 1 1 17 4506 1 1 4 LYS HZ1 H -4.386 1.731 -7.064 1.00 . A A . 4 LYS HZ1 1 1 17 4507 1 1 4 LYS HZ2 H -3.268 2.822 -7.542 1.00 . A A . 4 LYS HZ2 1 1 17 4508 1 1 4 LYS HZ3 H -2.875 1.240 -7.444 1.00 . A A . 4 LYS HZ3 1 1 17 4509 1 1 4 LYS N N -0.929 -1.611 -1.402 1.00 . A A . 4 LYS N 1 1 17 4510 1 1 4 LYS NZ N -3.417 1.974 -7.033 1.00 . A A . 4 LYS NZ 1 1 17 4511 1 1 4 LYS O O -3.210 -1.867 -3.604 1.00 . A A . 4 LYS O 1 1 17 4512 1 1 5 LYS C C -6.387 -0.978 -1.084 1.00 . A A . 5 LYS C 1 1 17 4513 1 1 5 LYS CA C -5.334 -1.816 -1.811 1.00 . A A . 5 LYS CA 1 1 17 4514 1 1 5 LYS CB C -5.340 -3.294 -1.414 1.00 . A A . 5 LYS CB 1 1 17 4515 1 1 5 LYS CD C -6.883 -5.284 -1.553 1.00 . A A . 5 LYS CD 1 1 17 4516 1 1 5 LYS CE C -5.974 -6.511 -1.644 1.00 . A A . 5 LYS CE 1 1 17 4517 1 1 5 LYS CG C -6.284 -4.098 -2.311 1.00 . A A . 5 LYS CG 1 1 17 4518 1 1 5 LYS H H -3.902 -0.785 -0.704 1.00 . A A . 5 LYS H 1 1 17 4519 1 1 5 LYS HA H -5.535 -1.770 -2.882 1.00 . A A . 5 LYS HA 1 1 17 4520 1 1 5 LYS HB2 H -4.332 -3.699 -1.484 1.00 . A A . 5 LYS HB2 1 1 17 4521 1 1 5 LYS HB3 H -5.651 -3.393 -0.373 1.00 . A A . 5 LYS HB3 1 1 17 4522 1 1 5 LYS HD2 H -7.032 -5.015 -0.507 1.00 . A A . 5 LYS HD2 1 1 17 4523 1 1 5 LYS HD3 H -7.865 -5.523 -1.962 1.00 . A A . 5 LYS HD3 1 1 17 4524 1 1 5 LYS HE2 H -6.017 -6.928 -2.651 1.00 . A A . 5 LYS HE2 1 1 17 4525 1 1 5 LYS HE3 H -4.939 -6.218 -1.465 1.00 . A A . 5 LYS HE3 1 1 17 4526 1 1 5 LYS HG2 H -7.083 -3.453 -2.676 1.00 . A A . 5 LYS HG2 1 1 17 4527 1 1 5 LYS HG3 H -5.740 -4.459 -3.185 1.00 . A A . 5 LYS HG3 1 1 17 4528 1 1 5 LYS HZ1 H -5.571 -7.908 -0.208 1.00 . A A . 5 LYS HZ1 1 1 17 4529 1 1 5 LYS HZ2 H -6.982 -7.118 0.026 1.00 . A A . 5 LYS HZ2 1 1 17 4530 1 1 5 LYS HZ3 H -6.873 -8.271 -1.125 1.00 . A A . 5 LYS HZ3 1 1 17 4531 1 1 5 LYS N N -4.020 -1.236 -1.589 1.00 . A A . 5 LYS N 1 1 17 4532 1 1 5 LYS NZ N -6.383 -7.536 -0.658 1.00 . A A . 5 LYS NZ 1 1 17 4533 1 1 5 LYS O O -7.105 -0.199 -1.707 1.00 . A A . 5 LYS O 1 1 17 4534 1 1 6 ARG C C -6.673 0.309 2.165 1.00 . A A . 6 ARG C 1 1 17 4535 1 1 6 ARG CA C -7.400 -0.439 1.045 1.00 . A A . 6 ARG CA 1 1 17 4536 1 1 6 ARG CB C -8.433 -1.385 1.660 1.00 . A A . 6 ARG CB 1 1 17 4537 1 1 6 ARG CD C -10.853 -1.638 2.323 1.00 . A A . 6 ARG CD 1 1 17 4538 1 1 6 ARG CG C -9.849 -0.826 1.503 1.00 . A A . 6 ARG CG 1 1 17 4539 1 1 6 ARG CZ C -12.004 -3.831 2.049 1.00 . A A . 6 ARG CZ 1 1 17 4540 1 1 6 ARG H H -5.859 -1.804 0.726 1.00 . A A . 6 ARG H 1 1 17 4541 1 1 6 ARG HA H -7.883 0.256 0.359 1.00 . A A . 6 ARG HA 1 1 17 4542 1 1 6 ARG HB2 H -8.368 -2.361 1.181 1.00 . A A . 6 ARG HB2 1 1 17 4543 1 1 6 ARG HB3 H -8.212 -1.534 2.717 1.00 . A A . 6 ARG HB3 1 1 17 4544 1 1 6 ARG HD2 H -10.514 -1.715 3.357 1.00 . A A . 6 ARG HD2 1 1 17 4545 1 1 6 ARG HD3 H -11.817 -1.129 2.342 1.00 . A A . 6 ARG HD3 1 1 17 4546 1 1 6 ARG HE H -10.325 -3.294 1.076 1.00 . A A . 6 ARG HE 1 1 17 4547 1 1 6 ARG HG2 H -9.870 0.216 1.823 1.00 . A A . 6 ARG HG2 1 1 17 4548 1 1 6 ARG HG3 H -10.135 -0.842 0.452 1.00 . A A . 6 ARG HG3 1 1 17 4549 1 1 6 ARG HH11 H -12.895 -2.564 3.367 1.00 . A A . 6 ARG HH11 1 1 17 4550 1 1 6 ARG HH12 H -13.683 -4.094 3.165 1.00 . A A . 6 ARG HH12 1 1 17 4551 1 1 6 ARG HH21 H -11.365 -5.311 0.809 1.00 . A A . 6 ARG HH21 1 1 17 4552 1 1 6 ARG HH22 H -12.807 -5.667 1.700 1.00 . A A . 6 ARG HH22 1 1 17 4553 1 1 6 ARG N N -6.446 -1.168 0.226 1.00 . A A . 6 ARG N 1 1 17 4554 1 1 6 ARG NE N -11.008 -2.989 1.741 1.00 . A A . 6 ARG NE 1 1 17 4555 1 1 6 ARG NH1 N -12.940 -3.466 2.935 1.00 . A A . 6 ARG NH1 1 1 17 4556 1 1 6 ARG NH2 N -12.063 -5.038 1.470 1.00 . A A . 6 ARG NH2 1 1 17 4557 1 1 6 ARG O O -6.281 -0.290 3.165 1.00 . A A . 6 ARG O 1 1 17 4558 1 1 7 ARG C C -4.330 2.379 2.745 1.00 . A A . 7 ARG C 1 1 17 4559 1 1 7 ARG CA C -5.846 2.446 2.940 1.00 . A A . 7 ARG CA 1 1 17 4560 1 1 7 ARG CB C -6.189 2.009 4.366 1.00 . A A . 7 ARG CB 1 1 17 4561 1 1 7 ARG CD C -5.220 3.711 5.955 1.00 . A A . 7 ARG CD 1 1 17 4562 1 1 7 ARG CG C -6.487 3.218 5.253 1.00 . A A . 7 ARG CG 1 1 17 4563 1 1 7 ARG CZ C -4.575 4.352 8.274 1.00 . A A . 7 ARG CZ 1 1 17 4564 1 1 7 ARG H H -6.840 2.090 1.146 1.00 . A A . 7 ARG H 1 1 17 4565 1 1 7 ARG HA H -6.222 3.452 2.753 1.00 . A A . 7 ARG HA 1 1 17 4566 1 1 7 ARG HB2 H -7.053 1.344 4.348 1.00 . A A . 7 ARG HB2 1 1 17 4567 1 1 7 ARG HB3 H -5.359 1.442 4.786 1.00 . A A . 7 ARG HB3 1 1 17 4568 1 1 7 ARG HD2 H -4.407 3.002 5.793 1.00 . A A . 7 ARG HD2 1 1 17 4569 1 1 7 ARG HD3 H -4.903 4.662 5.527 1.00 . A A . 7 ARG HD3 1 1 17 4570 1 1 7 ARG HE H -6.367 3.596 7.758 1.00 . A A . 7 ARG HE 1 1 17 4571 1 1 7 ARG HG2 H -6.908 4.023 4.650 1.00 . A A . 7 ARG HG2 1 1 17 4572 1 1 7 ARG HG3 H -7.239 2.952 5.998 1.00 . A A . 7 ARG HG3 1 1 17 4573 1 1 7 ARG HH11 H -3.127 4.650 6.878 1.00 . A A . 7 ARG HH11 1 1 17 4574 1 1 7 ARG HH12 H -2.693 5.091 8.496 1.00 . A A . 7 ARG HH12 1 1 17 4575 1 1 7 ARG HH21 H -5.796 4.179 9.892 1.00 . A A . 7 ARG HH21 1 1 17 4576 1 1 7 ARG HH22 H -4.222 4.823 10.221 1.00 . A A . 7 ARG HH22 1 1 17 4577 1 1 7 ARG N N -6.517 1.609 1.961 1.00 . A A . 7 ARG N 1 1 17 4578 1 1 7 ARG NE N -5.471 3.869 7.405 1.00 . A A . 7 ARG NE 1 1 17 4579 1 1 7 ARG NH1 N -3.363 4.730 7.847 1.00 . A A . 7 ARG NH1 1 1 17 4580 1 1 7 ARG NH2 N -4.891 4.460 9.573 1.00 . A A . 7 ARG NH2 1 1 17 4581 1 1 7 ARG O O -3.599 3.237 3.239 1.00 . A A . 7 ARG O 1 1 17 4582 1 1 8 TRP C C -2.132 1.962 0.501 1.00 . A A . 8 TRP C 1 1 17 4583 1 1 8 TRP CA C -2.487 1.163 1.758 1.00 . A A . 8 TRP CA 1 1 17 4584 1 1 8 TRP CB C -2.145 -0.322 1.638 1.00 . A A . 8 TRP CB 1 1 17 4585 1 1 8 TRP CD1 C -1.534 -0.803 4.100 1.00 . A A . 8 TRP CD1 1 1 17 4586 1 1 8 TRP CD2 C -2.972 -2.261 3.255 1.00 . A A . 8 TRP CD2 1 1 17 4587 1 1 8 TRP CE2 C -2.732 -2.628 4.565 1.00 . A A . 8 TRP CE2 1 1 17 4588 1 1 8 TRP CE3 C -3.851 -2.993 2.439 1.00 . A A . 8 TRP CE3 1 1 17 4589 1 1 8 TRP CG C -2.193 -1.080 2.967 1.00 . A A . 8 TRP CG 1 1 17 4590 1 1 8 TRP CH2 C -4.210 -4.484 4.376 1.00 . A A . 8 TRP CH2 1 1 17 4591 1 1 8 TRP CZ2 C -3.331 -3.737 5.172 1.00 . A A . 8 TRP CZ2 1 1 17 4592 1 1 8 TRP CZ3 C -4.441 -4.100 3.061 1.00 . A A . 8 TRP CZ3 1 1 17 4593 1 1 8 TRP H H -4.504 0.660 1.627 1.00 . A A . 8 TRP H 1 1 17 4594 1 1 8 TRP HA H -1.932 1.550 2.613 1.00 . A A . 8 TRP HA 1 1 17 4595 1 1 8 TRP HB2 H -2.840 -0.790 0.941 1.00 . A A . 8 TRP HB2 1 1 17 4596 1 1 8 TRP HB3 H -1.148 -0.423 1.211 1.00 . A A . 8 TRP HB3 1 1 17 4597 1 1 8 TRP HD1 H -0.849 0.038 4.221 1.00 . A A . 8 TRP HD1 1 1 17 4598 1 1 8 TRP HE1 H -1.429 -1.714 6.108 1.00 . A A . 8 TRP HE1 1 1 17 4599 1 1 8 TRP HE3 H -4.056 -2.725 1.403 1.00 . A A . 8 TRP HE3 1 1 17 4600 1 1 8 TRP HH2 H -4.711 -5.360 4.787 1.00 . A A . 8 TRP HH2 1 1 17 4601 1 1 8 TRP HZ2 H -3.125 -4.007 6.207 1.00 . A A . 8 TRP HZ2 1 1 17 4602 1 1 8 TRP HZ3 H -5.131 -4.704 2.471 1.00 . A A . 8 TRP HZ3 1 1 17 4603 1 1 8 TRP N N -3.903 1.353 2.025 1.00 . A A . 8 TRP N 1 1 17 4604 1 1 8 TRP NE1 N -1.829 -1.713 5.093 1.00 . A A . 8 TRP NE1 1 1 17 4605 1 1 8 TRP O O -2.855 1.917 -0.492 1.00 . A A . 8 TRP O 1 1 17 4606 1 1 9 LYS C C 0.254 2.603 -1.487 1.00 . A A . 9 LYS C 1 1 17 4607 1 1 9 LYS CA C -0.557 3.480 -0.531 1.00 . A A . 9 LYS CA 1 1 17 4608 1 1 9 LYS CB C 0.205 4.708 -0.028 1.00 . A A . 9 LYS CB 1 1 17 4609 1 1 9 LYS CD C -0.377 6.513 -1.691 1.00 . A A . 9 LYS CD 1 1 17 4610 1 1 9 LYS CE C -0.361 8.043 -1.713 1.00 . A A . 9 LYS CE 1 1 17 4611 1 1 9 LYS CG C -0.598 5.987 -0.271 1.00 . A A . 9 LYS CG 1 1 17 4612 1 1 9 LYS H H -0.434 2.705 1.399 1.00 . A A . 9 LYS H 1 1 17 4613 1 1 9 LYS HA H -1.440 3.841 -1.059 1.00 . A A . 9 LYS HA 1 1 17 4614 1 1 9 LYS HB2 H 0.412 4.601 1.037 1.00 . A A . 9 LYS HB2 1 1 17 4615 1 1 9 LYS HB3 H 1.167 4.776 -0.535 1.00 . A A . 9 LYS HB3 1 1 17 4616 1 1 9 LYS HD2 H 0.566 6.130 -2.081 1.00 . A A . 9 LYS HD2 1 1 17 4617 1 1 9 LYS HD3 H -1.165 6.144 -2.347 1.00 . A A . 9 LYS HD3 1 1 17 4618 1 1 9 LYS HE2 H -0.608 8.430 -0.725 1.00 . A A . 9 LYS HE2 1 1 17 4619 1 1 9 LYS HE3 H 0.641 8.398 -1.953 1.00 . A A . 9 LYS HE3 1 1 17 4620 1 1 9 LYS HG2 H -1.659 5.792 -0.113 1.00 . A A . 9 LYS HG2 1 1 17 4621 1 1 9 LYS HG3 H -0.304 6.748 0.452 1.00 . A A . 9 LYS HG3 1 1 17 4622 1 1 9 LYS HZ1 H -1.100 8.194 -3.613 1.00 . A A . 9 LYS HZ1 1 1 17 4623 1 1 9 LYS HZ2 H -2.252 8.267 -2.457 1.00 . A A . 9 LYS HZ2 1 1 17 4624 1 1 9 LYS HZ3 H -1.286 9.556 -2.730 1.00 . A A . 9 LYS HZ3 1 1 17 4625 1 1 9 LYS N N -1.017 2.674 0.587 1.00 . A A . 9 LYS N 1 1 17 4626 1 1 9 LYS NZ N -1.328 8.557 -2.709 1.00 . A A . 9 LYS NZ 1 1 17 4627 1 1 9 LYS O O 0.262 1.380 -1.358 1.00 . A A . 9 LYS O 1 1 17 4628 1 1 10 LYS C C 2.500 1.436 -2.707 1.00 . A A . 10 LYS C 1 1 17 4629 1 1 10 LYS CA C 1.729 2.558 -3.404 1.00 . A A . 10 LYS CA 1 1 17 4630 1 1 10 LYS CB C 2.624 3.539 -4.162 1.00 . A A . 10 LYS CB 1 1 17 4631 1 1 10 LYS CD C 4.528 2.433 -5.394 1.00 . A A . 10 LYS CD 1 1 17 4632 1 1 10 LYS CE C 4.693 1.105 -6.135 1.00 . A A . 10 LYS CE 1 1 17 4633 1 1 10 LYS CG C 3.088 2.942 -5.493 1.00 . A A . 10 LYS CG 1 1 17 4634 1 1 10 LYS H H 0.905 4.258 -2.524 1.00 . A A . 10 LYS H 1 1 17 4635 1 1 10 LYS HA H 1.050 2.112 -4.131 1.00 . A A . 10 LYS HA 1 1 17 4636 1 1 10 LYS HB2 H 2.081 4.467 -4.347 1.00 . A A . 10 LYS HB2 1 1 17 4637 1 1 10 LYS HB3 H 3.490 3.794 -3.552 1.00 . A A . 10 LYS HB3 1 1 17 4638 1 1 10 LYS HD2 H 5.208 3.175 -5.813 1.00 . A A . 10 LYS HD2 1 1 17 4639 1 1 10 LYS HD3 H 4.801 2.306 -4.346 1.00 . A A . 10 LYS HD3 1 1 17 4640 1 1 10 LYS HE2 H 4.636 0.278 -5.427 1.00 . A A . 10 LYS HE2 1 1 17 4641 1 1 10 LYS HE3 H 3.875 0.974 -6.844 1.00 . A A . 10 LYS HE3 1 1 17 4642 1 1 10 LYS HG2 H 2.428 2.123 -5.777 1.00 . A A . 10 LYS HG2 1 1 17 4643 1 1 10 LYS HG3 H 3.018 3.695 -6.278 1.00 . A A . 10 LYS HG3 1 1 17 4644 1 1 10 LYS HZ1 H 6.051 0.222 -7.379 1.00 . A A . 10 LYS HZ1 1 1 17 4645 1 1 10 LYS HZ2 H 6.052 1.853 -7.464 1.00 . A A . 10 LYS HZ2 1 1 17 4646 1 1 10 LYS HZ3 H 6.735 1.102 -6.186 1.00 . A A . 10 LYS HZ3 1 1 17 4647 1 1 10 LYS N N 0.917 3.262 -2.426 1.00 . A A . 10 LYS N 1 1 17 4648 1 1 10 LYS NZ N 5.988 1.068 -6.850 1.00 . A A . 10 LYS NZ 1 1 17 4649 1 1 10 LYS O O 2.252 0.257 -2.960 1.00 . A A . 10 LYS O 1 1 17 4650 1 1 11 ALA C C 5.449 1.596 -0.523 1.00 . A A . 11 ALA C 1 1 17 4651 1 1 11 ALA CA C 4.227 0.883 -1.105 1.00 . A A . 11 ALA CA 1 1 17 4652 1 1 11 ALA CB C 4.611 -0.276 -2.027 1.00 . A A . 11 ALA CB 1 1 17 4653 1 1 11 ALA H H 3.613 2.801 -1.641 1.00 . A A . 11 ALA H 1 1 17 4654 1 1 11 ALA HA H 3.619 0.495 -0.288 1.00 . A A . 11 ALA HA 1 1 17 4655 1 1 11 ALA HB1 H 4.531 0.045 -3.066 1.00 . A A . 11 ALA HB1 1 1 17 4656 1 1 11 ALA HB2 H 5.637 -0.580 -1.820 1.00 . A A . 11 ALA HB2 1 1 17 4657 1 1 11 ALA HB3 H 3.941 -1.117 -1.853 1.00 . A A . 11 ALA HB3 1 1 17 4658 1 1 11 ALA N N 3.418 1.840 -1.841 1.00 . A A . 11 ALA N 1 1 17 4659 1 1 11 ALA O O 5.965 1.196 0.519 1.00 . A A . 11 ALA O 1 1 17 4660 1 1 12 LYS C C 8.127 2.454 -0.318 1.00 . A A . 12 LYS C 1 1 17 4661 1 1 12 LYS CA C 7.027 3.409 -0.787 1.00 . A A . 12 LYS CA 1 1 17 4662 1 1 12 LYS CB C 6.615 4.439 0.268 1.00 . A A . 12 LYS CB 1 1 17 4663 1 1 12 LYS CD C 6.722 6.869 0.934 1.00 . A A . 12 LYS CD 1 1 17 4664 1 1 12 LYS CE C 7.710 8.027 1.086 1.00 . A A . 12 LYS CE 1 1 17 4665 1 1 12 LYS CG C 7.280 5.791 0.002 1.00 . A A . 12 LYS CG 1 1 17 4666 1 1 12 LYS H H 5.450 2.955 -2.069 1.00 . A A . 12 LYS H 1 1 17 4667 1 1 12 LYS HA H 7.395 3.962 -1.651 1.00 . A A . 12 LYS HA 1 1 17 4668 1 1 12 LYS HB2 H 5.532 4.555 0.265 1.00 . A A . 12 LYS HB2 1 1 17 4669 1 1 12 LYS HB3 H 6.894 4.081 1.259 1.00 . A A . 12 LYS HB3 1 1 17 4670 1 1 12 LYS HD2 H 5.776 7.240 0.541 1.00 . A A . 12 LYS HD2 1 1 17 4671 1 1 12 LYS HD3 H 6.511 6.435 1.912 1.00 . A A . 12 LYS HD3 1 1 17 4672 1 1 12 LYS HE2 H 7.337 8.736 1.825 1.00 . A A . 12 LYS HE2 1 1 17 4673 1 1 12 LYS HE3 H 8.664 7.652 1.457 1.00 . A A . 12 LYS HE3 1 1 17 4674 1 1 12 LYS HG2 H 8.358 5.705 0.144 1.00 . A A . 12 LYS HG2 1 1 17 4675 1 1 12 LYS HG3 H 7.117 6.082 -1.035 1.00 . A A . 12 LYS HG3 1 1 17 4676 1 1 12 LYS HZ1 H 7.484 8.175 -0.940 1.00 . A A . 12 LYS HZ1 1 1 17 4677 1 1 12 LYS HZ2 H 7.486 9.618 -0.177 1.00 . A A . 12 LYS HZ2 1 1 17 4678 1 1 12 LYS HZ3 H 8.886 8.805 -0.392 1.00 . A A . 12 LYS HZ3 1 1 17 4679 1 1 12 LYS N N 5.876 2.637 -1.222 1.00 . A A . 12 LYS N 1 1 17 4680 1 1 12 LYS NZ N 7.908 8.712 -0.211 1.00 . A A . 12 LYS NZ 1 1 17 4681 1 1 12 LYS O O 8.265 2.091 0.851 1.00 . A A . 12 LYS O 1 1 17 4682 1 1 13 DPR C C 9.936 -0.244 -0.496 1.00 . A A . 13 DPR C 1 1 17 4683 1 1 13 DPR CA C 10.194 1.223 -0.997 1.00 . A A . 13 DPR CA 1 1 17 4684 1 1 13 DPR CB C 10.934 1.340 -2.349 1.00 . A A . 13 DPR CB 1 1 17 4685 1 1 13 DPR CD C 8.723 2.222 -2.739 1.00 . A A . 13 DPR CD 1 1 17 4686 1 1 13 DPR CG C 9.826 1.398 -3.404 1.00 . A A . 13 DPR CG 1 1 17 4687 1 1 13 DPR HA H 10.812 1.731 -0.231 1.00 . A A . 13 DPR HA 1 1 17 4688 1 1 13 DPR HB2 H 11.645 0.509 -2.525 1.00 . A A . 13 DPR HB2 1 1 17 4689 1 1 13 DPR HB3 H 11.534 2.272 -2.373 1.00 . A A . 13 DPR HB3 1 1 17 4690 1 1 13 DPR HD2 H 7.716 1.879 -3.048 1.00 . A A . 13 DPR HD2 1 1 17 4691 1 1 13 DPR HD3 H 8.815 3.292 -3.009 1.00 . A A . 13 DPR HD3 1 1 17 4692 1 1 13 DPR HG2 H 10.167 1.830 -4.363 1.00 . A A . 13 DPR HG2 1 1 17 4693 1 1 13 DPR HG3 H 9.459 0.375 -3.620 1.00 . A A . 13 DPR HG3 1 1 17 4694 1 1 13 DPR N N 8.967 2.021 -1.295 1.00 . A A . 13 DPR N 1 1 17 4695 1 1 13 DPR O O 9.425 -1.101 -1.219 1.00 . A A . 13 DPR O 1 1 17 4696 1 1 14 PRO C C 8.931 -2.628 1.433 1.00 . A A . 14 PRO C 1 1 17 4697 1 1 14 PRO CA C 10.318 -1.913 1.298 1.00 . A A . 14 PRO CA 1 1 17 4698 1 1 14 PRO CB C 11.078 -1.714 2.629 1.00 . A A . 14 PRO CB 1 1 17 4699 1 1 14 PRO CD C 10.804 0.506 1.700 1.00 . A A . 14 PRO CD 1 1 17 4700 1 1 14 PRO CG C 10.851 -0.250 3.028 1.00 . A A . 14 PRO CG 1 1 17 4701 1 1 14 PRO HA H 10.936 -2.565 0.649 1.00 . A A . 14 PRO HA 1 1 17 4702 1 1 14 PRO HB2 H 10.768 -2.424 3.421 1.00 . A A . 14 PRO HB2 1 1 17 4703 1 1 14 PRO HB3 H 12.160 -1.891 2.468 1.00 . A A . 14 PRO HB3 1 1 17 4704 1 1 14 PRO HD2 H 10.131 1.386 1.737 1.00 . A A . 14 PRO HD2 1 1 17 4705 1 1 14 PRO HD3 H 11.807 0.868 1.399 1.00 . A A . 14 PRO HD3 1 1 17 4706 1 1 14 PRO HG2 H 9.885 -0.143 3.560 1.00 . A A . 14 PRO HG2 1 1 17 4707 1 1 14 PRO HG3 H 11.634 0.137 3.707 1.00 . A A . 14 PRO HG3 1 1 17 4708 1 1 14 PRO N N 10.329 -0.526 0.762 1.00 . A A . 14 PRO N 1 1 17 4709 1 1 14 PRO O O 8.798 -3.815 1.151 1.00 . A A . 14 PRO O 1 1 18 4710 1 1 1 THR C C 5.988 -2.374 -0.143 1.00 . A A . 1 THR C 1 1 18 4711 1 1 1 THR CA C 6.939 -3.508 -0.530 1.00 . A A . 1 THR CA 1 1 18 4712 1 1 1 THR CB C 6.354 -4.901 -0.284 1.00 . A A . 1 THR CB 1 1 18 4713 1 1 1 THR CG2 C 5.129 -4.869 0.631 1.00 . A A . 1 THR CG2 1 1 18 4714 1 1 1 THR H1 H 8.507 -2.471 0.365 1.00 . A A . 1 THR H1 1 1 18 4715 1 1 1 THR HA H 7.162 -3.390 -1.591 1.00 . A A . 1 THR HA 1 1 18 4716 1 1 1 THR HB H 7.114 -5.578 0.107 1.00 . A A . 1 THR HB 1 1 18 4717 1 1 1 THR HG1 H 5.666 -6.273 -1.568 1.00 . A A . 1 THR HG1 1 1 18 4718 1 1 1 THR HG21 H 5.260 -4.095 1.388 1.00 . A A . 1 THR HG21 1 1 18 4719 1 1 1 THR HG22 H 4.240 -4.651 0.040 1.00 . A A . 1 THR HG22 1 1 18 4720 1 1 1 THR HG23 H 5.014 -5.837 1.119 1.00 . A A . 1 THR HG23 1 1 18 4721 1 1 1 THR N N 8.182 -3.404 0.214 1.00 . A A . 1 THR N 1 1 18 4722 1 1 1 THR O O 5.949 -1.960 1.016 1.00 . A A . 1 THR O 1 1 18 4723 1 1 1 THR OG1 O 5.831 -5.288 -1.552 1.00 . A A . 1 THR OG1 1 1 18 4724 1 1 2 TRP C C 3.268 -1.304 0.116 1.00 . A A . 2 TRP C 1 1 18 4725 1 1 2 TRP CA C 4.296 -0.824 -0.910 1.00 . A A . 2 TRP CA 1 1 18 4726 1 1 2 TRP CB C 3.662 -0.371 -2.226 1.00 . A A . 2 TRP CB 1 1 18 4727 1 1 2 TRP CD1 C 5.903 -0.535 -3.495 1.00 . A A . 2 TRP CD1 1 1 18 4728 1 1 2 TRP CD2 C 4.136 -0.787 -4.806 1.00 . A A . 2 TRP CD2 1 1 18 4729 1 1 2 TRP CE2 C 5.259 -0.896 -5.602 1.00 . A A . 2 TRP CE2 1 1 18 4730 1 1 2 TRP CE3 C 2.842 -0.903 -5.345 1.00 . A A . 2 TRP CE3 1 1 18 4731 1 1 2 TRP CG C 4.564 -0.555 -3.448 1.00 . A A . 2 TRP CG 1 1 18 4732 1 1 2 TRP CH2 C 3.923 -1.243 -7.541 1.00 . A A . 2 TRP CH2 1 1 18 4733 1 1 2 TRP CZ2 C 5.200 -1.125 -6.982 1.00 . A A . 2 TRP CZ2 1 1 18 4734 1 1 2 TRP CZ3 C 2.802 -1.131 -6.726 1.00 . A A . 2 TRP CZ3 1 1 18 4735 1 1 2 TRP H H 5.282 -2.245 -2.072 1.00 . A A . 2 TRP H 1 1 18 4736 1 1 2 TRP HA H 4.849 0.028 -0.514 1.00 . A A . 2 TRP HA 1 1 18 4737 1 1 2 TRP HB2 H 2.738 -0.929 -2.383 1.00 . A A . 2 TRP HB2 1 1 18 4738 1 1 2 TRP HB3 H 3.389 0.681 -2.143 1.00 . A A . 2 TRP HB3 1 1 18 4739 1 1 2 TRP HD1 H 6.545 -0.379 -2.628 1.00 . A A . 2 TRP HD1 1 1 18 4740 1 1 2 TRP HE1 H 7.411 -0.769 -5.091 1.00 . A A . 2 TRP HE1 1 1 18 4741 1 1 2 TRP HE3 H 1.940 -0.820 -4.738 1.00 . A A . 2 TRP HE3 1 1 18 4742 1 1 2 TRP HH2 H 3.806 -1.422 -8.610 1.00 . A A . 2 TRP HH2 1 1 18 4743 1 1 2 TRP HZ2 H 6.103 -1.207 -7.588 1.00 . A A . 2 TRP HZ2 1 1 18 4744 1 1 2 TRP HZ3 H 1.822 -1.228 -7.195 1.00 . A A . 2 TRP HZ3 1 1 18 4745 1 1 2 TRP N N 5.244 -1.903 -1.134 1.00 . A A . 2 TRP N 1 1 18 4746 1 1 2 TRP NE1 N 6.367 -0.738 -4.778 1.00 . A A . 2 TRP NE1 1 1 18 4747 1 1 2 TRP O O 3.085 -0.674 1.157 1.00 . A A . 2 TRP O 1 1 18 4748 1 1 3 LEU C C 0.416 -2.041 0.739 1.00 . A A . 3 LEU C 1 1 18 4749 1 1 3 LEU CA C 1.618 -2.984 0.667 1.00 . A A . 3 LEU CA 1 1 18 4750 1 1 3 LEU CB C 2.225 -3.311 2.033 1.00 . A A . 3 LEU CB 1 1 18 4751 1 1 3 LEU CD1 C 2.056 -4.698 4.132 1.00 . A A . 3 LEU CD1 1 1 18 4752 1 1 3 LEU CD2 C 0.339 -2.893 3.654 1.00 . A A . 3 LEU CD2 1 1 18 4753 1 1 3 LEU CG C 1.277 -3.943 3.054 1.00 . A A . 3 LEU CG 1 1 18 4754 1 1 3 LEU H H 2.779 -2.919 -1.061 1.00 . A A . 3 LEU H 1 1 18 4755 1 1 3 LEU HA H 1.293 -3.926 0.224 1.00 . A A . 3 LEU HA 1 1 18 4756 1 1 3 LEU HB2 H 3.067 -3.989 1.881 1.00 . A A . 3 LEU HB2 1 1 18 4757 1 1 3 LEU HB3 H 2.628 -2.394 2.459 1.00 . A A . 3 LEU HB3 1 1 18 4758 1 1 3 LEU HD11 H 1.671 -5.714 4.215 1.00 . A A . 3 LEU HD11 1 1 18 4759 1 1 3 LEU HD12 H 3.112 -4.731 3.862 1.00 . A A . 3 LEU HD12 1 1 18 4760 1 1 3 LEU HD13 H 1.943 -4.187 5.088 1.00 . A A . 3 LEU HD13 1 1 18 4761 1 1 3 LEU HD21 H 0.486 -2.850 4.733 1.00 . A A . 3 LEU HD21 1 1 18 4762 1 1 3 LEU HD22 H 0.560 -1.918 3.218 1.00 . A A . 3 LEU HD22 1 1 18 4763 1 1 3 LEU HD23 H -0.694 -3.162 3.438 1.00 . A A . 3 LEU HD23 1 1 18 4764 1 1 3 LEU HG H 0.654 -4.672 2.537 1.00 . A A . 3 LEU HG 1 1 18 4765 1 1 3 LEU N N 2.624 -2.413 -0.213 1.00 . A A . 3 LEU N 1 1 18 4766 1 1 3 LEU O O 0.543 -0.898 1.176 1.00 . A A . 3 LEU O 1 1 18 4767 1 1 4 LYS C C -3.052 -2.568 1.018 1.00 . A A . 4 LYS C 1 1 18 4768 1 1 4 LYS CA C -1.950 -1.773 0.314 1.00 . A A . 4 LYS CA 1 1 18 4769 1 1 4 LYS CB C -2.318 -1.335 -1.105 1.00 . A A . 4 LYS CB 1 1 18 4770 1 1 4 LYS CD C -3.315 -2.464 -3.128 1.00 . A A . 4 LYS CD 1 1 18 4771 1 1 4 LYS CE C -3.483 -3.828 -3.802 1.00 . A A . 4 LYS CE 1 1 18 4772 1 1 4 LYS CG C -2.194 -2.502 -2.088 1.00 . A A . 4 LYS CG 1 1 18 4773 1 1 4 LYS H H -0.821 -3.486 -0.049 1.00 . A A . 4 LYS H 1 1 18 4774 1 1 4 LYS HA H -1.756 -0.868 0.890 1.00 . A A . 4 LYS HA 1 1 18 4775 1 1 4 LYS HB2 H -3.338 -0.951 -1.119 1.00 . A A . 4 LYS HB2 1 1 18 4776 1 1 4 LYS HB3 H -1.666 -0.520 -1.418 1.00 . A A . 4 LYS HB3 1 1 18 4777 1 1 4 LYS HD2 H -4.250 -2.174 -2.650 1.00 . A A . 4 LYS HD2 1 1 18 4778 1 1 4 LYS HD3 H -3.092 -1.708 -3.880 1.00 . A A . 4 LYS HD3 1 1 18 4779 1 1 4 LYS HE2 H -3.166 -3.767 -4.843 1.00 . A A . 4 LYS HE2 1 1 18 4780 1 1 4 LYS HE3 H -2.841 -4.562 -3.315 1.00 . A A . 4 LYS HE3 1 1 18 4781 1 1 4 LYS HG2 H -1.226 -2.457 -2.589 1.00 . A A . 4 LYS HG2 1 1 18 4782 1 1 4 LYS HG3 H -2.228 -3.446 -1.544 1.00 . A A . 4 LYS HG3 1 1 18 4783 1 1 4 LYS HZ1 H -5.358 -3.788 -2.989 1.00 . A A . 4 LYS HZ1 1 1 18 4784 1 1 4 LYS HZ2 H -5.350 -4.064 -4.598 1.00 . A A . 4 LYS HZ2 1 1 18 4785 1 1 4 LYS HZ3 H -4.926 -5.255 -3.563 1.00 . A A . 4 LYS HZ3 1 1 18 4786 1 1 4 LYS N N -0.726 -2.555 0.305 1.00 . A A . 4 LYS N 1 1 18 4787 1 1 4 LYS NZ N -4.894 -4.270 -3.733 1.00 . A A . 4 LYS NZ 1 1 18 4788 1 1 4 LYS O O -2.793 -3.629 1.583 1.00 . A A . 4 LYS O 1 1 18 4789 1 1 5 LYS C C -6.690 -2.150 0.942 1.00 . A A . 5 LYS C 1 1 18 4790 1 1 5 LYS CA C -5.401 -2.669 1.584 1.00 . A A . 5 LYS CA 1 1 18 4791 1 1 5 LYS CB C -5.355 -2.489 3.103 1.00 . A A . 5 LYS CB 1 1 18 4792 1 1 5 LYS CD C -5.919 -4.500 4.516 1.00 . A A . 5 LYS CD 1 1 18 4793 1 1 5 LYS CE C -5.852 -5.998 4.213 1.00 . A A . 5 LYS CE 1 1 18 4794 1 1 5 LYS CG C -4.806 -3.743 3.787 1.00 . A A . 5 LYS CG 1 1 18 4795 1 1 5 LYS H H -4.461 -1.160 0.498 1.00 . A A . 5 LYS H 1 1 18 4796 1 1 5 LYS HA H -5.323 -3.739 1.384 1.00 . A A . 5 LYS HA 1 1 18 4797 1 1 5 LYS HB2 H -4.729 -1.632 3.352 1.00 . A A . 5 LYS HB2 1 1 18 4798 1 1 5 LYS HB3 H -6.355 -2.273 3.478 1.00 . A A . 5 LYS HB3 1 1 18 4799 1 1 5 LYS HD2 H -5.831 -4.338 5.590 1.00 . A A . 5 LYS HD2 1 1 18 4800 1 1 5 LYS HD3 H -6.890 -4.107 4.214 1.00 . A A . 5 LYS HD3 1 1 18 4801 1 1 5 LYS HE2 H -5.379 -6.158 3.244 1.00 . A A . 5 LYS HE2 1 1 18 4802 1 1 5 LYS HE3 H -5.231 -6.498 4.957 1.00 . A A . 5 LYS HE3 1 1 18 4803 1 1 5 LYS HG2 H -4.344 -4.394 3.045 1.00 . A A . 5 LYS HG2 1 1 18 4804 1 1 5 LYS HG3 H -4.027 -3.463 4.496 1.00 . A A . 5 LYS HG3 1 1 18 4805 1 1 5 LYS HZ1 H -7.461 -6.847 3.282 1.00 . A A . 5 LYS HZ1 1 1 18 4806 1 1 5 LYS HZ2 H -7.219 -7.399 4.799 1.00 . A A . 5 LYS HZ2 1 1 18 4807 1 1 5 LYS HZ3 H -7.863 -5.918 4.563 1.00 . A A . 5 LYS HZ3 1 1 18 4808 1 1 5 LYS N N -4.259 -2.024 0.960 1.00 . A A . 5 LYS N 1 1 18 4809 1 1 5 LYS NZ N -7.209 -6.589 4.215 1.00 . A A . 5 LYS NZ 1 1 18 4810 1 1 5 LYS O O -7.166 -2.711 -0.044 1.00 . A A . 5 LYS O 1 1 18 4811 1 1 6 ARG C C -8.236 1.017 0.793 1.00 . A A . 6 ARG C 1 1 18 4812 1 1 6 ARG CA C -8.439 -0.481 1.025 1.00 . A A . 6 ARG CA 1 1 18 4813 1 1 6 ARG CB C -9.596 -0.688 2.004 1.00 . A A . 6 ARG CB 1 1 18 4814 1 1 6 ARG CD C -11.847 -1.602 1.326 1.00 . A A . 6 ARG CD 1 1 18 4815 1 1 6 ARG CG C -10.939 -0.371 1.340 1.00 . A A . 6 ARG CG 1 1 18 4816 1 1 6 ARG CZ C -14.156 -0.674 1.448 1.00 . A A . 6 ARG CZ 1 1 18 4817 1 1 6 ARG H H -6.821 -0.634 2.329 1.00 . A A . 6 ARG H 1 1 18 4818 1 1 6 ARG HA H -8.640 -1.000 0.087 1.00 . A A . 6 ARG HA 1 1 18 4819 1 1 6 ARG HB2 H -9.597 -1.718 2.360 1.00 . A A . 6 ARG HB2 1 1 18 4820 1 1 6 ARG HB3 H -9.458 -0.049 2.875 1.00 . A A . 6 ARG HB3 1 1 18 4821 1 1 6 ARG HD2 H -11.387 -2.397 0.741 1.00 . A A . 6 ARG HD2 1 1 18 4822 1 1 6 ARG HD3 H -11.971 -1.984 2.340 1.00 . A A . 6 ARG HD3 1 1 18 4823 1 1 6 ARG HE H -13.329 -1.458 -0.211 1.00 . A A . 6 ARG HE 1 1 18 4824 1 1 6 ARG HG2 H -11.429 0.441 1.875 1.00 . A A . 6 ARG HG2 1 1 18 4825 1 1 6 ARG HG3 H -10.771 -0.027 0.320 1.00 . A A . 6 ARG HG3 1 1 18 4826 1 1 6 ARG HH11 H -13.115 -0.589 3.193 1.00 . A A . 6 ARG HH11 1 1 18 4827 1 1 6 ARG HH12 H -14.722 0.053 3.261 1.00 . A A . 6 ARG HH12 1 1 18 4828 1 1 6 ARG HH21 H -15.449 -0.612 -0.121 1.00 . A A . 6 ARG HH21 1 1 18 4829 1 1 6 ARG HH22 H -16.059 0.040 1.364 1.00 . A A . 6 ARG HH22 1 1 18 4830 1 1 6 ARG N N -7.216 -1.083 1.527 1.00 . A A . 6 ARG N 1 1 18 4831 1 1 6 ARG NE N -13.166 -1.251 0.754 1.00 . A A . 6 ARG NE 1 1 18 4832 1 1 6 ARG NH1 N -13.983 -0.378 2.743 1.00 . A A . 6 ARG NH1 1 1 18 4833 1 1 6 ARG NH2 N -15.320 -0.391 0.846 1.00 . A A . 6 ARG NH2 1 1 18 4834 1 1 6 ARG O O -8.297 1.808 1.733 1.00 . A A . 6 ARG O 1 1 18 4835 1 1 7 ARG C C -6.328 3.143 -0.609 1.00 . A A . 7 ARG C 1 1 18 4836 1 1 7 ARG CA C -7.790 2.753 -0.832 1.00 . A A . 7 ARG CA 1 1 18 4837 1 1 7 ARG CB C -8.689 3.681 -0.013 1.00 . A A . 7 ARG CB 1 1 18 4838 1 1 7 ARG CD C -10.387 4.144 -1.819 1.00 . A A . 7 ARG CD 1 1 18 4839 1 1 7 ARG CG C -9.324 4.752 -0.902 1.00 . A A . 7 ARG CG 1 1 18 4840 1 1 7 ARG CZ C -11.166 4.494 -4.160 1.00 . A A . 7 ARG CZ 1 1 18 4841 1 1 7 ARG H H -7.954 0.713 -1.223 1.00 . A A . 7 ARG H 1 1 18 4842 1 1 7 ARG HA H -8.054 2.805 -1.888 1.00 . A A . 7 ARG HA 1 1 18 4843 1 1 7 ARG HB2 H -9.470 3.099 0.476 1.00 . A A . 7 ARG HB2 1 1 18 4844 1 1 7 ARG HB3 H -8.106 4.157 0.775 1.00 . A A . 7 ARG HB3 1 1 18 4845 1 1 7 ARG HD2 H -10.219 3.072 -1.923 1.00 . A A . 7 ARG HD2 1 1 18 4846 1 1 7 ARG HD3 H -11.376 4.271 -1.378 1.00 . A A . 7 ARG HD3 1 1 18 4847 1 1 7 ARG HE H -9.648 5.500 -3.301 1.00 . A A . 7 ARG HE 1 1 18 4848 1 1 7 ARG HG2 H -9.775 5.526 -0.279 1.00 . A A . 7 ARG HG2 1 1 18 4849 1 1 7 ARG HG3 H -8.553 5.236 -1.503 1.00 . A A . 7 ARG HG3 1 1 18 4850 1 1 7 ARG HH11 H -12.194 3.077 -3.127 1.00 . A A . 7 ARG HH11 1 1 18 4851 1 1 7 ARG HH12 H -12.724 3.331 -4.756 1.00 . A A . 7 ARG HH12 1 1 18 4852 1 1 7 ARG HH21 H -10.347 5.836 -5.450 1.00 . A A . 7 ARG HH21 1 1 18 4853 1 1 7 ARG HH22 H -11.667 4.912 -6.087 1.00 . A A . 7 ARG HH22 1 1 18 4854 1 1 7 ARG N N -8.001 1.362 -0.464 1.00 . A A . 7 ARG N 1 1 18 4855 1 1 7 ARG NE N -10.340 4.794 -3.148 1.00 . A A . 7 ARG NE 1 1 18 4856 1 1 7 ARG NH1 N -12.108 3.555 -4.001 1.00 . A A . 7 ARG NH1 1 1 18 4857 1 1 7 ARG NH2 N -11.050 5.136 -5.332 1.00 . A A . 7 ARG NH2 1 1 18 4858 1 1 7 ARG O O -5.863 4.151 -1.141 1.00 . A A . 7 ARG O 1 1 18 4859 1 1 8 TRP C C -3.414 2.128 -0.732 1.00 . A A . 8 TRP C 1 1 18 4860 1 1 8 TRP CA C -4.242 2.574 0.476 1.00 . A A . 8 TRP CA 1 1 18 4861 1 1 8 TRP CB C -3.827 1.880 1.774 1.00 . A A . 8 TRP CB 1 1 18 4862 1 1 8 TRP CD1 C -3.585 3.967 3.272 1.00 . A A . 8 TRP CD1 1 1 18 4863 1 1 8 TRP CD2 C -4.776 2.351 4.210 1.00 . A A . 8 TRP CD2 1 1 18 4864 1 1 8 TRP CE2 C -4.724 3.399 5.107 1.00 . A A . 8 TRP CE2 1 1 18 4865 1 1 8 TRP CE3 C -5.464 1.163 4.511 1.00 . A A . 8 TRP CE3 1 1 18 4866 1 1 8 TRP CG C -4.037 2.729 3.029 1.00 . A A . 8 TRP CG 1 1 18 4867 1 1 8 TRP CH2 C -6.033 2.191 6.684 1.00 . A A . 8 TRP CH2 1 1 18 4868 1 1 8 TRP CZ2 C -5.340 3.364 6.363 1.00 . A A . 8 TRP CZ2 1 1 18 4869 1 1 8 TRP CZ3 C -6.076 1.144 5.770 1.00 . A A . 8 TRP CZ3 1 1 18 4870 1 1 8 TRP H H -6.028 1.509 0.605 1.00 . A A . 8 TRP H 1 1 18 4871 1 1 8 TRP HA H -4.120 3.645 0.636 1.00 . A A . 8 TRP HA 1 1 18 4872 1 1 8 TRP HB2 H -4.394 0.954 1.875 1.00 . A A . 8 TRP HB2 1 1 18 4873 1 1 8 TRP HB3 H -2.776 1.604 1.706 1.00 . A A . 8 TRP HB3 1 1 18 4874 1 1 8 TRP HD1 H -2.984 4.549 2.573 1.00 . A A . 8 TRP HD1 1 1 18 4875 1 1 8 TRP HE1 H -3.744 5.382 4.959 1.00 . A A . 8 TRP HE1 1 1 18 4876 1 1 8 TRP HE3 H -5.520 0.322 3.820 1.00 . A A . 8 TRP HE3 1 1 18 4877 1 1 8 TRP HH2 H -6.536 2.097 7.646 1.00 . A A . 8 TRP HH2 1 1 18 4878 1 1 8 TRP HZ2 H -5.284 4.206 7.053 1.00 . A A . 8 TRP HZ2 1 1 18 4879 1 1 8 TRP HZ3 H -6.623 0.246 6.054 1.00 . A A . 8 TRP HZ3 1 1 18 4880 1 1 8 TRP N N -5.643 2.326 0.176 1.00 . A A . 8 TRP N 1 1 18 4881 1 1 8 TRP NE1 N -3.976 4.413 4.519 1.00 . A A . 8 TRP NE1 1 1 18 4882 1 1 8 TRP O O -3.829 1.245 -1.481 1.00 . A A . 8 TRP O 1 1 18 4883 1 1 9 LYS C C -0.043 3.175 -1.797 1.00 . A A . 9 LYS C 1 1 18 4884 1 1 9 LYS CA C -1.370 2.438 -1.986 1.00 . A A . 9 LYS CA 1 1 18 4885 1 1 9 LYS CB C -2.051 2.729 -3.325 1.00 . A A . 9 LYS CB 1 1 18 4886 1 1 9 LYS CD C -1.806 2.364 -5.808 1.00 . A A . 9 LYS CD 1 1 18 4887 1 1 9 LYS CE C -0.545 3.015 -6.380 1.00 . A A . 9 LYS CE 1 1 18 4888 1 1 9 LYS CG C -1.541 1.785 -4.417 1.00 . A A . 9 LYS CG 1 1 18 4889 1 1 9 LYS H H -1.929 3.476 -0.268 1.00 . A A . 9 LYS H 1 1 18 4890 1 1 9 LYS HA H -1.178 1.365 -1.949 1.00 . A A . 9 LYS HA 1 1 18 4891 1 1 9 LYS HB2 H -3.130 2.621 -3.220 1.00 . A A . 9 LYS HB2 1 1 18 4892 1 1 9 LYS HB3 H -1.862 3.763 -3.616 1.00 . A A . 9 LYS HB3 1 1 18 4893 1 1 9 LYS HD2 H -2.144 1.572 -6.476 1.00 . A A . 9 LYS HD2 1 1 18 4894 1 1 9 LYS HD3 H -2.608 3.100 -5.754 1.00 . A A . 9 LYS HD3 1 1 18 4895 1 1 9 LYS HE2 H -0.821 3.762 -7.125 1.00 . A A . 9 LYS HE2 1 1 18 4896 1 1 9 LYS HE3 H -0.009 3.540 -5.589 1.00 . A A . 9 LYS HE3 1 1 18 4897 1 1 9 LYS HG2 H -0.472 1.617 -4.286 1.00 . A A . 9 LYS HG2 1 1 18 4898 1 1 9 LYS HG3 H -2.031 0.817 -4.321 1.00 . A A . 9 LYS HG3 1 1 18 4899 1 1 9 LYS HZ1 H -0.080 1.663 -7.840 1.00 . A A . 9 LYS HZ1 1 1 18 4900 1 1 9 LYS HZ2 H 1.226 2.402 -7.193 1.00 . A A . 9 LYS HZ2 1 1 18 4901 1 1 9 LYS HZ3 H 0.451 1.232 -6.357 1.00 . A A . 9 LYS HZ3 1 1 18 4902 1 1 9 LYS N N -2.259 2.758 -0.883 1.00 . A A . 9 LYS N 1 1 18 4903 1 1 9 LYS NZ N 0.334 1.995 -6.992 1.00 . A A . 9 LYS NZ 1 1 18 4904 1 1 9 LYS O O 0.424 3.862 -2.704 1.00 . A A . 9 LYS O 1 1 18 4905 1 1 10 LYS C C 2.826 3.283 -1.358 1.00 . A A . 10 LYS C 1 1 18 4906 1 1 10 LYS CA C 1.791 3.648 -0.293 1.00 . A A . 10 LYS CA 1 1 18 4907 1 1 10 LYS CB C 2.225 3.297 1.131 1.00 . A A . 10 LYS CB 1 1 18 4908 1 1 10 LYS CD C 0.612 1.788 2.348 1.00 . A A . 10 LYS CD 1 1 18 4909 1 1 10 LYS CE C 0.937 1.222 3.731 1.00 . A A . 10 LYS CE 1 1 18 4910 1 1 10 LYS CG C 1.866 1.850 1.473 1.00 . A A . 10 LYS CG 1 1 18 4911 1 1 10 LYS H H 0.140 2.447 0.120 1.00 . A A . 10 LYS H 1 1 18 4912 1 1 10 LYS HA H 1.628 4.725 -0.324 1.00 . A A . 10 LYS HA 1 1 18 4913 1 1 10 LYS HB2 H 3.300 3.443 1.235 1.00 . A A . 10 LYS HB2 1 1 18 4914 1 1 10 LYS HB3 H 1.743 3.972 1.839 1.00 . A A . 10 LYS HB3 1 1 18 4915 1 1 10 LYS HD2 H 0.185 2.786 2.450 1.00 . A A . 10 LYS HD2 1 1 18 4916 1 1 10 LYS HD3 H -0.142 1.167 1.865 1.00 . A A . 10 LYS HD3 1 1 18 4917 1 1 10 LYS HE2 H 1.110 0.148 3.660 1.00 . A A . 10 LYS HE2 1 1 18 4918 1 1 10 LYS HE3 H 1.856 1.669 4.108 1.00 . A A . 10 LYS HE3 1 1 18 4919 1 1 10 LYS HG2 H 1.701 1.287 0.555 1.00 . A A . 10 LYS HG2 1 1 18 4920 1 1 10 LYS HG3 H 2.699 1.378 1.992 1.00 . A A . 10 LYS HG3 1 1 18 4921 1 1 10 LYS HZ1 H 0.061 2.272 5.250 1.00 . A A . 10 LYS HZ1 1 1 18 4922 1 1 10 LYS HZ2 H -1.006 1.689 4.160 1.00 . A A . 10 LYS HZ2 1 1 18 4923 1 1 10 LYS HZ3 H -0.321 0.684 5.250 1.00 . A A . 10 LYS HZ3 1 1 18 4924 1 1 10 LYS N N 0.527 3.007 -0.613 1.00 . A A . 10 LYS N 1 1 18 4925 1 1 10 LYS NZ N -0.172 1.489 4.674 1.00 . A A . 10 LYS NZ 1 1 18 4926 1 1 10 LYS O O 2.489 2.680 -2.376 1.00 . A A . 10 LYS O 1 1 18 4927 1 1 11 ALA C C 6.479 3.389 -1.247 1.00 . A A . 11 ALA C 1 1 18 4928 1 1 11 ALA CA C 5.153 3.386 -2.011 1.00 . A A . 11 ALA CA 1 1 18 4929 1 1 11 ALA CB C 5.134 4.408 -3.149 1.00 . A A . 11 ALA CB 1 1 18 4930 1 1 11 ALA H H 4.332 4.155 -0.258 1.00 . A A . 11 ALA H 1 1 18 4931 1 1 11 ALA HA H 4.987 2.392 -2.428 1.00 . A A . 11 ALA HA 1 1 18 4932 1 1 11 ALA HB1 H 4.842 5.383 -2.756 1.00 . A A . 11 ALA HB1 1 1 18 4933 1 1 11 ALA HB2 H 6.125 4.477 -3.593 1.00 . A A . 11 ALA HB2 1 1 18 4934 1 1 11 ALA HB3 H 4.417 4.093 -3.907 1.00 . A A . 11 ALA HB3 1 1 18 4935 1 1 11 ALA N N 4.067 3.665 -1.088 1.00 . A A . 11 ALA N 1 1 18 4936 1 1 11 ALA O O 6.506 3.649 -0.045 1.00 . A A . 11 ALA O 1 1 18 4937 1 1 12 LYS C C 9.025 1.787 -0.556 1.00 . A A . 12 LYS C 1 1 18 4938 1 1 12 LYS CA C 8.872 3.066 -1.383 1.00 . A A . 12 LYS CA 1 1 18 4939 1 1 12 LYS CB C 9.135 4.347 -0.587 1.00 . A A . 12 LYS CB 1 1 18 4940 1 1 12 LYS CD C 9.662 6.236 -2.173 1.00 . A A . 12 LYS CD 1 1 18 4941 1 1 12 LYS CE C 8.985 7.355 -1.380 1.00 . A A . 12 LYS CE 1 1 18 4942 1 1 12 LYS CG C 10.245 5.176 -1.236 1.00 . A A . 12 LYS CG 1 1 18 4943 1 1 12 LYS H H 7.516 2.889 -2.954 1.00 . A A . 12 LYS H 1 1 18 4944 1 1 12 LYS HA H 9.595 3.039 -2.197 1.00 . A A . 12 LYS HA 1 1 18 4945 1 1 12 LYS HB2 H 8.222 4.938 -0.529 1.00 . A A . 12 LYS HB2 1 1 18 4946 1 1 12 LYS HB3 H 9.416 4.094 0.435 1.00 . A A . 12 LYS HB3 1 1 18 4947 1 1 12 LYS HD2 H 10.454 6.653 -2.794 1.00 . A A . 12 LYS HD2 1 1 18 4948 1 1 12 LYS HD3 H 8.940 5.774 -2.846 1.00 . A A . 12 LYS HD3 1 1 18 4949 1 1 12 LYS HE2 H 9.434 7.431 -0.390 1.00 . A A . 12 LYS HE2 1 1 18 4950 1 1 12 LYS HE3 H 9.148 8.312 -1.877 1.00 . A A . 12 LYS HE3 1 1 18 4951 1 1 12 LYS HG2 H 10.842 5.659 -0.463 1.00 . A A . 12 LYS HG2 1 1 18 4952 1 1 12 LYS HG3 H 10.915 4.521 -1.793 1.00 . A A . 12 LYS HG3 1 1 18 4953 1 1 12 LYS HZ1 H 7.247 6.448 -1.960 1.00 . A A . 12 LYS HZ1 1 1 18 4954 1 1 12 LYS HZ2 H 7.340 6.713 -0.350 1.00 . A A . 12 LYS HZ2 1 1 18 4955 1 1 12 LYS HZ3 H 7.031 7.954 -1.366 1.00 . A A . 12 LYS HZ3 1 1 18 4956 1 1 12 LYS N N 7.546 3.099 -1.976 1.00 . A A . 12 LYS N 1 1 18 4957 1 1 12 LYS NZ N 7.533 7.096 -1.254 1.00 . A A . 12 LYS NZ 1 1 18 4958 1 1 12 LYS O O 8.076 1.093 -0.190 1.00 . A A . 12 LYS O 1 1 18 4959 1 1 13 DPR C C 10.415 -1.106 0.120 1.00 . A A . 13 DPR C 1 1 18 4960 1 1 13 DPR CA C 10.634 0.340 0.695 1.00 . A A . 13 DPR CA 1 1 18 4961 1 1 13 DPR CB C 12.094 0.697 1.049 1.00 . A A . 13 DPR CB 1 1 18 4962 1 1 13 DPR CD C 11.494 2.150 -0.780 1.00 . A A . 13 DPR CD 1 1 18 4963 1 1 13 DPR CG C 12.663 1.343 -0.218 1.00 . A A . 13 DPR CG 1 1 18 4964 1 1 13 DPR HA H 10.033 0.422 1.624 1.00 . A A . 13 DPR HA 1 1 18 4965 1 1 13 DPR HB2 H 12.685 -0.177 1.381 1.00 . A A . 13 DPR HB2 1 1 18 4966 1 1 13 DPR HB3 H 12.114 1.421 1.888 1.00 . A A . 13 DPR HB3 1 1 18 4967 1 1 13 DPR HD2 H 11.506 2.169 -1.888 1.00 . A A . 13 DPR HD2 1 1 18 4968 1 1 13 DPR HD3 H 11.531 3.199 -0.423 1.00 . A A . 13 DPR HD3 1 1 18 4969 1 1 13 DPR HG2 H 13.558 1.962 -0.022 1.00 . A A . 13 DPR HG2 1 1 18 4970 1 1 13 DPR HG3 H 12.962 0.555 -0.938 1.00 . A A . 13 DPR HG3 1 1 18 4971 1 1 13 DPR N N 10.305 1.455 -0.243 1.00 . A A . 13 DPR N 1 1 18 4972 1 1 13 DPR O O 10.130 -1.303 -1.062 1.00 . A A . 13 DPR O 1 1 18 4973 1 1 14 PRO C C 9.277 -4.117 -0.090 1.00 . A A . 14 PRO C 1 1 18 4974 1 1 14 PRO CA C 10.595 -3.545 0.536 1.00 . A A . 14 PRO CA 1 1 18 4975 1 1 14 PRO CB C 11.063 -4.253 1.827 1.00 . A A . 14 PRO CB 1 1 18 4976 1 1 14 PRO CD C 10.776 -1.925 2.431 1.00 . A A . 14 PRO CD 1 1 18 4977 1 1 14 PRO CG C 10.632 -3.343 2.985 1.00 . A A . 14 PRO CG 1 1 18 4978 1 1 14 PRO HA H 11.382 -3.685 -0.232 1.00 . A A . 14 PRO HA 1 1 18 4979 1 1 14 PRO HB2 H 10.671 -5.284 1.927 1.00 . A A . 14 PRO HB2 1 1 18 4980 1 1 14 PRO HB3 H 12.167 -4.348 1.819 1.00 . A A . 14 PRO HB3 1 1 18 4981 1 1 14 PRO HD2 H 10.032 -1.225 2.861 1.00 . A A . 14 PRO HD2 1 1 18 4982 1 1 14 PRO HD3 H 11.782 -1.507 2.632 1.00 . A A . 14 PRO HD3 1 1 18 4983 1 1 14 PRO HG2 H 9.576 -3.541 3.256 1.00 . A A . 14 PRO HG2 1 1 18 4984 1 1 14 PRO HG3 H 11.233 -3.501 3.901 1.00 . A A . 14 PRO HG3 1 1 18 4985 1 1 14 PRO N N 10.585 -2.127 0.984 1.00 . A A . 14 PRO N 1 1 18 4986 1 1 14 PRO O O 9.311 -4.979 -0.962 1.00 . A A . 14 PRO O 1 1 19 4987 1 1 1 THR C C 5.770 -1.873 1.617 1.00 . A A . 1 THR C 1 1 19 4988 1 1 1 THR CA C 6.957 -1.907 2.581 1.00 . A A . 1 THR CA 1 1 19 4989 1 1 1 THR CB C 7.141 -0.606 3.364 1.00 . A A . 1 THR CB 1 1 19 4990 1 1 1 THR CG2 C 7.316 0.608 2.449 1.00 . A A . 1 THR CG2 1 1 19 4991 1 1 1 THR H1 H 8.253 -1.749 0.959 1.00 . A A . 1 THR H1 1 1 19 4992 1 1 1 THR HA H 6.778 -2.728 3.277 1.00 . A A . 1 THR HA 1 1 19 4993 1 1 1 THR HB H 7.972 -0.688 4.065 1.00 . A A . 1 THR HB 1 1 19 4994 1 1 1 THR HG1 H 5.938 -0.595 4.964 1.00 . A A . 1 THR HG1 1 1 19 4995 1 1 1 THR HG21 H 7.403 1.511 3.055 1.00 . A A . 1 THR HG21 1 1 19 4996 1 1 1 THR HG22 H 8.218 0.484 1.850 1.00 . A A . 1 THR HG22 1 1 19 4997 1 1 1 THR HG23 H 6.452 0.694 1.791 1.00 . A A . 1 THR HG23 1 1 19 4998 1 1 1 THR N N 8.188 -2.177 1.860 1.00 . A A . 1 THR N 1 1 19 4999 1 1 1 THR O O 5.684 -2.692 0.703 1.00 . A A . 1 THR O 1 1 19 5000 1 1 1 THR OG1 O 5.877 -0.392 3.987 1.00 . A A . 1 THR OG1 1 1 19 5001 1 1 2 TRP C C 2.942 -2.088 1.027 1.00 . A A . 2 TRP C 1 1 19 5002 1 1 2 TRP CA C 3.707 -0.763 1.014 1.00 . A A . 2 TRP CA 1 1 19 5003 1 1 2 TRP CB C 4.092 -0.308 -0.396 1.00 . A A . 2 TRP CB 1 1 19 5004 1 1 2 TRP CD1 C 3.629 -2.485 -1.704 1.00 . A A . 2 TRP CD1 1 1 19 5005 1 1 2 TRP CD2 C 2.646 -0.707 -2.588 1.00 . A A . 2 TRP CD2 1 1 19 5006 1 1 2 TRP CE2 C 2.321 -1.793 -3.375 1.00 . A A . 2 TRP CE2 1 1 19 5007 1 1 2 TRP CE3 C 2.172 0.582 -2.887 1.00 . A A . 2 TRP CE3 1 1 19 5008 1 1 2 TRP CG C 3.491 -1.166 -1.511 1.00 . A A . 2 TRP CG 1 1 19 5009 1 1 2 TRP CH2 C 1.025 -0.425 -4.829 1.00 . A A . 2 TRP CH2 1 1 19 5010 1 1 2 TRP CZ2 C 1.510 -1.700 -4.513 1.00 . A A . 2 TRP CZ2 1 1 19 5011 1 1 2 TRP CZ3 C 1.362 0.658 -4.026 1.00 . A A . 2 TRP CZ3 1 1 19 5012 1 1 2 TRP H H 4.962 -0.252 2.596 1.00 . A A . 2 TRP H 1 1 19 5013 1 1 2 TRP HA H 3.092 0.027 1.444 1.00 . A A . 2 TRP HA 1 1 19 5014 1 1 2 TRP HB2 H 3.773 0.725 -0.534 1.00 . A A . 2 TRP HB2 1 1 19 5015 1 1 2 TRP HB3 H 5.178 -0.320 -0.487 1.00 . A A . 2 TRP HB3 1 1 19 5016 1 1 2 TRP HD1 H 4.214 -3.140 -1.059 1.00 . A A . 2 TRP HD1 1 1 19 5017 1 1 2 TRP HE1 H 2.886 -3.929 -3.198 1.00 . A A . 2 TRP HE1 1 1 19 5018 1 1 2 TRP HE3 H 2.414 1.455 -2.281 1.00 . A A . 2 TRP HE3 1 1 19 5019 1 1 2 TRP HH2 H 0.388 -0.282 -5.701 1.00 . A A . 2 TRP HH2 1 1 19 5020 1 1 2 TRP HZ2 H 1.267 -2.574 -5.118 1.00 . A A . 2 TRP HZ2 1 1 19 5021 1 1 2 TRP HZ3 H 0.967 1.636 -4.302 1.00 . A A . 2 TRP HZ3 1 1 19 5022 1 1 2 TRP N N 4.885 -0.914 1.851 1.00 . A A . 2 TRP N 1 1 19 5023 1 1 2 TRP NE1 N 2.939 -2.908 -2.820 1.00 . A A . 2 TRP NE1 1 1 19 5024 1 1 2 TRP O O 3.476 -3.112 1.449 1.00 . A A . 2 TRP O 1 1 19 5025 1 1 3 LEU C C -0.531 -2.815 0.015 1.00 . A A . 3 LEU C 1 1 19 5026 1 1 3 LEU CA C 0.861 -3.206 0.514 1.00 . A A . 3 LEU CA 1 1 19 5027 1 1 3 LEU CB C 0.852 -3.912 1.871 1.00 . A A . 3 LEU CB 1 1 19 5028 1 1 3 LEU CD1 C -0.360 -6.097 1.519 1.00 . A A . 3 LEU CD1 1 1 19 5029 1 1 3 LEU CD2 C 2.080 -5.868 0.859 1.00 . A A . 3 LEU CD2 1 1 19 5030 1 1 3 LEU CG C 0.984 -5.437 1.835 1.00 . A A . 3 LEU CG 1 1 19 5031 1 1 3 LEU H H 1.277 -1.187 0.220 1.00 . A A . 3 LEU H 1 1 19 5032 1 1 3 LEU HA H 1.305 -3.896 -0.205 1.00 . A A . 3 LEU HA 1 1 19 5033 1 1 3 LEU HB2 H 1.667 -3.510 2.472 1.00 . A A . 3 LEU HB2 1 1 19 5034 1 1 3 LEU HB3 H -0.077 -3.660 2.383 1.00 . A A . 3 LEU HB3 1 1 19 5035 1 1 3 LEU HD11 H -1.100 -5.784 2.255 1.00 . A A . 3 LEU HD11 1 1 19 5036 1 1 3 LEU HD12 H -0.687 -5.794 0.524 1.00 . A A . 3 LEU HD12 1 1 19 5037 1 1 3 LEU HD13 H -0.248 -7.180 1.551 1.00 . A A . 3 LEU HD13 1 1 19 5038 1 1 3 LEU HD21 H 1.632 -6.112 -0.105 1.00 . A A . 3 LEU HD21 1 1 19 5039 1 1 3 LEU HD22 H 2.796 -5.056 0.732 1.00 . A A . 3 LEU HD22 1 1 19 5040 1 1 3 LEU HD23 H 2.592 -6.746 1.253 1.00 . A A . 3 LEU HD23 1 1 19 5041 1 1 3 LEU HG H 1.284 -5.777 2.826 1.00 . A A . 3 LEU HG 1 1 19 5042 1 1 3 LEU N N 1.704 -2.024 0.561 1.00 . A A . 3 LEU N 1 1 19 5043 1 1 3 LEU O O -1.518 -2.965 0.735 1.00 . A A . 3 LEU O 1 1 19 5044 1 1 4 LYS C C -2.921 -2.899 -1.433 1.00 . A A . 4 LYS C 1 1 19 5045 1 1 4 LYS CA C -1.823 -1.906 -1.818 1.00 . A A . 4 LYS CA 1 1 19 5046 1 1 4 LYS CB C -1.658 -1.727 -3.328 1.00 . A A . 4 LYS CB 1 1 19 5047 1 1 4 LYS CD C -2.749 -3.462 -4.795 1.00 . A A . 4 LYS CD 1 1 19 5048 1 1 4 LYS CE C -3.026 -4.963 -4.679 1.00 . A A . 4 LYS CE 1 1 19 5049 1 1 4 LYS CG C -1.485 -3.078 -4.025 1.00 . A A . 4 LYS CG 1 1 19 5050 1 1 4 LYS H H 0.239 -2.201 -1.793 1.00 . A A . 4 LYS H 1 1 19 5051 1 1 4 LYS HA H -2.078 -0.931 -1.402 1.00 . A A . 4 LYS HA 1 1 19 5052 1 1 4 LYS HB2 H -2.529 -1.212 -3.734 1.00 . A A . 4 LYS HB2 1 1 19 5053 1 1 4 LYS HB3 H -0.793 -1.096 -3.530 1.00 . A A . 4 LYS HB3 1 1 19 5054 1 1 4 LYS HD2 H -3.600 -2.902 -4.408 1.00 . A A . 4 LYS HD2 1 1 19 5055 1 1 4 LYS HD3 H -2.638 -3.190 -5.844 1.00 . A A . 4 LYS HD3 1 1 19 5056 1 1 4 LYS HE2 H -2.512 -5.368 -3.807 1.00 . A A . 4 LYS HE2 1 1 19 5057 1 1 4 LYS HE3 H -4.092 -5.132 -4.527 1.00 . A A . 4 LYS HE3 1 1 19 5058 1 1 4 LYS HG2 H -0.638 -3.032 -4.709 1.00 . A A . 4 LYS HG2 1 1 19 5059 1 1 4 LYS HG3 H -1.256 -3.845 -3.286 1.00 . A A . 4 LYS HG3 1 1 19 5060 1 1 4 LYS HZ1 H -1.761 -6.209 -5.691 1.00 . A A . 4 LYS HZ1 1 1 19 5061 1 1 4 LYS HZ2 H -3.304 -6.273 -6.223 1.00 . A A . 4 LYS HZ2 1 1 19 5062 1 1 4 LYS HZ3 H -2.358 -5.000 -6.611 1.00 . A A . 4 LYS HZ3 1 1 19 5063 1 1 4 LYS N N -0.568 -2.320 -1.214 1.00 . A A . 4 LYS N 1 1 19 5064 1 1 4 LYS NZ N -2.576 -5.669 -5.900 1.00 . A A . 4 LYS NZ 1 1 19 5065 1 1 4 LYS O O -2.790 -4.099 -1.671 1.00 . A A . 4 LYS O 1 1 19 5066 1 1 5 LYS C C -6.349 -2.314 -0.292 1.00 . A A . 5 LYS C 1 1 19 5067 1 1 5 LYS CA C -5.099 -3.187 -0.423 1.00 . A A . 5 LYS CA 1 1 19 5068 1 1 5 LYS CB C -4.751 -3.955 0.854 1.00 . A A . 5 LYS CB 1 1 19 5069 1 1 5 LYS CD C -4.265 -6.298 1.652 1.00 . A A . 5 LYS CD 1 1 19 5070 1 1 5 LYS CE C -4.926 -7.655 1.901 1.00 . A A . 5 LYS CE 1 1 19 5071 1 1 5 LYS CG C -5.120 -5.434 0.722 1.00 . A A . 5 LYS CG 1 1 19 5072 1 1 5 LYS H H -4.079 -1.386 -0.652 1.00 . A A . 5 LYS H 1 1 19 5073 1 1 5 LYS HA H -5.274 -3.925 -1.206 1.00 . A A . 5 LYS HA 1 1 19 5074 1 1 5 LYS HB2 H -3.685 -3.860 1.060 1.00 . A A . 5 LYS HB2 1 1 19 5075 1 1 5 LYS HB3 H -5.280 -3.519 1.701 1.00 . A A . 5 LYS HB3 1 1 19 5076 1 1 5 LYS HD2 H -3.278 -6.446 1.211 1.00 . A A . 5 LYS HD2 1 1 19 5077 1 1 5 LYS HD3 H -4.116 -5.781 2.600 1.00 . A A . 5 LYS HD3 1 1 19 5078 1 1 5 LYS HE2 H -5.397 -8.011 0.985 1.00 . A A . 5 LYS HE2 1 1 19 5079 1 1 5 LYS HE3 H -4.170 -8.389 2.178 1.00 . A A . 5 LYS HE3 1 1 19 5080 1 1 5 LYS HG2 H -6.174 -5.572 0.960 1.00 . A A . 5 LYS HG2 1 1 19 5081 1 1 5 LYS HG3 H -4.981 -5.756 -0.310 1.00 . A A . 5 LYS HG3 1 1 19 5082 1 1 5 LYS HZ1 H -5.670 -6.828 3.617 1.00 . A A . 5 LYS HZ1 1 1 19 5083 1 1 5 LYS HZ2 H -6.827 -7.324 2.576 1.00 . A A . 5 LYS HZ2 1 1 19 5084 1 1 5 LYS HZ3 H -6.001 -8.419 3.462 1.00 . A A . 5 LYS HZ3 1 1 19 5085 1 1 5 LYS N N -3.979 -2.362 -0.843 1.00 . A A . 5 LYS N 1 1 19 5086 1 1 5 LYS NZ N -5.938 -7.548 2.977 1.00 . A A . 5 LYS NZ 1 1 19 5087 1 1 5 LYS O O -7.195 -2.296 -1.186 1.00 . A A . 5 LYS O 1 1 19 5088 1 1 6 ARG C C -7.082 0.586 1.689 1.00 . A A . 6 ARG C 1 1 19 5089 1 1 6 ARG CA C -7.558 -0.737 1.086 1.00 . A A . 6 ARG CA 1 1 19 5090 1 1 6 ARG CB C -8.556 -1.395 2.043 1.00 . A A . 6 ARG CB 1 1 19 5091 1 1 6 ARG CD C -8.290 -0.791 4.477 1.00 . A A . 6 ARG CD 1 1 19 5092 1 1 6 ARG CG C -7.883 -1.763 3.367 1.00 . A A . 6 ARG CG 1 1 19 5093 1 1 6 ARG CZ C -10.082 -2.135 5.567 1.00 . A A . 6 ARG CZ 1 1 19 5094 1 1 6 ARG H H -5.736 -1.630 1.550 1.00 . A A . 6 ARG H 1 1 19 5095 1 1 6 ARG HA H -8.019 -0.581 0.111 1.00 . A A . 6 ARG HA 1 1 19 5096 1 1 6 ARG HB2 H -9.388 -0.718 2.229 1.00 . A A . 6 ARG HB2 1 1 19 5097 1 1 6 ARG HB3 H -8.971 -2.291 1.581 1.00 . A A . 6 ARG HB3 1 1 19 5098 1 1 6 ARG HD2 H -7.420 -0.230 4.817 1.00 . A A . 6 ARG HD2 1 1 19 5099 1 1 6 ARG HD3 H -9.006 -0.066 4.092 1.00 . A A . 6 ARG HD3 1 1 19 5100 1 1 6 ARG HE H -8.360 -1.596 6.459 1.00 . A A . 6 ARG HE 1 1 19 5101 1 1 6 ARG HG2 H -8.159 -2.779 3.649 1.00 . A A . 6 ARG HG2 1 1 19 5102 1 1 6 ARG HG3 H -6.800 -1.749 3.245 1.00 . A A . 6 ARG HG3 1 1 19 5103 1 1 6 ARG HH11 H -10.477 -1.594 3.647 1.00 . A A . 6 ARG HH11 1 1 19 5104 1 1 6 ARG HH12 H -11.714 -2.529 4.419 1.00 . A A . 6 ARG HH12 1 1 19 5105 1 1 6 ARG HH21 H -9.991 -2.830 7.477 1.00 . A A . 6 ARG HH21 1 1 19 5106 1 1 6 ARG HH22 H -11.436 -3.237 6.612 1.00 . A A . 6 ARG HH22 1 1 19 5107 1 1 6 ARG N N -6.426 -1.611 0.828 1.00 . A A . 6 ARG N 1 1 19 5108 1 1 6 ARG NE N -8.885 -1.536 5.609 1.00 . A A . 6 ARG NE 1 1 19 5109 1 1 6 ARG NH1 N -10.821 -2.082 4.450 1.00 . A A . 6 ARG NH1 1 1 19 5110 1 1 6 ARG NH2 N -10.542 -2.789 6.643 1.00 . A A . 6 ARG NH2 1 1 19 5111 1 1 6 ARG O O -6.734 0.646 2.868 1.00 . A A . 6 ARG O 1 1 19 5112 1 1 7 ARG C C -5.130 3.052 1.196 1.00 . A A . 7 ARG C 1 1 19 5113 1 1 7 ARG CA C -6.652 2.932 1.288 1.00 . A A . 7 ARG CA 1 1 19 5114 1 1 7 ARG CB C -7.091 3.207 2.728 1.00 . A A . 7 ARG CB 1 1 19 5115 1 1 7 ARG CD C -9.011 4.606 3.574 1.00 . A A . 7 ARG CD 1 1 19 5116 1 1 7 ARG CG C -7.653 4.623 2.870 1.00 . A A . 7 ARG CG 1 1 19 5117 1 1 7 ARG CZ C -10.628 6.346 4.327 1.00 . A A . 7 ARG CZ 1 1 19 5118 1 1 7 ARG H H -7.364 1.557 -0.104 1.00 . A A . 7 ARG H 1 1 19 5119 1 1 7 ARG HA H -7.143 3.625 0.605 1.00 . A A . 7 ARG HA 1 1 19 5120 1 1 7 ARG HB2 H -7.848 2.480 3.026 1.00 . A A . 7 ARG HB2 1 1 19 5121 1 1 7 ARG HB3 H -6.245 3.078 3.402 1.00 . A A . 7 ARG HB3 1 1 19 5122 1 1 7 ARG HD2 H -9.674 3.891 3.087 1.00 . A A . 7 ARG HD2 1 1 19 5123 1 1 7 ARG HD3 H -8.891 4.278 4.607 1.00 . A A . 7 ARG HD3 1 1 19 5124 1 1 7 ARG HE H -9.241 6.622 2.894 1.00 . A A . 7 ARG HE 1 1 19 5125 1 1 7 ARG HG2 H -6.954 5.240 3.434 1.00 . A A . 7 ARG HG2 1 1 19 5126 1 1 7 ARG HG3 H -7.755 5.077 1.885 1.00 . A A . 7 ARG HG3 1 1 19 5127 1 1 7 ARG HH11 H -10.799 4.560 5.283 1.00 . A A . 7 ARG HH11 1 1 19 5128 1 1 7 ARG HH12 H -11.916 5.780 5.794 1.00 . A A . 7 ARG HH12 1 1 19 5129 1 1 7 ARG HH21 H -10.716 8.232 3.569 1.00 . A A . 7 ARG HH21 1 1 19 5130 1 1 7 ARG HH22 H -11.869 7.883 4.814 1.00 . A A . 7 ARG HH22 1 1 19 5131 1 1 7 ARG N N -7.081 1.614 0.853 1.00 . A A . 7 ARG N 1 1 19 5132 1 1 7 ARG NE N -9.614 5.957 3.542 1.00 . A A . 7 ARG NE 1 1 19 5133 1 1 7 ARG NH1 N -11.159 5.489 5.209 1.00 . A A . 7 ARG NH1 1 1 19 5134 1 1 7 ARG NH2 N -11.112 7.592 4.228 1.00 . A A . 7 ARG NH2 1 1 19 5135 1 1 7 ARG O O -4.590 4.158 1.203 1.00 . A A . 7 ARG O 1 1 19 5136 1 1 8 TRP C C -2.646 2.084 -0.449 1.00 . A A . 8 TRP C 1 1 19 5137 1 1 8 TRP CA C -3.032 1.864 1.016 1.00 . A A . 8 TRP CA 1 1 19 5138 1 1 8 TRP CB C -2.478 0.558 1.588 1.00 . A A . 8 TRP CB 1 1 19 5139 1 1 8 TRP CD1 C -1.448 1.439 3.785 1.00 . A A . 8 TRP CD1 1 1 19 5140 1 1 8 TRP CD2 C -2.805 -0.287 4.085 1.00 . A A . 8 TRP CD2 1 1 19 5141 1 1 8 TRP CE2 C -2.327 0.083 5.325 1.00 . A A . 8 TRP CE2 1 1 19 5142 1 1 8 TRP CE3 C -3.699 -1.362 3.935 1.00 . A A . 8 TRP CE3 1 1 19 5143 1 1 8 TRP CG C -2.231 0.595 3.098 1.00 . A A . 8 TRP CG 1 1 19 5144 1 1 8 TRP CH2 C -3.575 -1.643 6.387 1.00 . A A . 8 TRP CH2 1 1 19 5145 1 1 8 TRP CZ2 C -2.686 -0.570 6.512 1.00 . A A . 8 TRP CZ2 1 1 19 5146 1 1 8 TRP CZ3 C -4.048 -2.003 5.130 1.00 . A A . 8 TRP CZ3 1 1 19 5147 1 1 8 TRP H H -4.927 1.007 1.104 1.00 . A A . 8 TRP H 1 1 19 5148 1 1 8 TRP HA H -2.636 2.673 1.631 1.00 . A A . 8 TRP HA 1 1 19 5149 1 1 8 TRP HB2 H -3.176 -0.249 1.365 1.00 . A A . 8 TRP HB2 1 1 19 5150 1 1 8 TRP HB3 H -1.542 0.319 1.083 1.00 . A A . 8 TRP HB3 1 1 19 5151 1 1 8 TRP HD1 H -0.863 2.239 3.332 1.00 . A A . 8 TRP HD1 1 1 19 5152 1 1 8 TRP HE1 H -0.930 1.701 5.915 1.00 . A A . 8 TRP HE1 1 1 19 5153 1 1 8 TRP HE3 H -4.091 -1.674 2.967 1.00 . A A . 8 TRP HE3 1 1 19 5154 1 1 8 TRP HH2 H -3.896 -2.194 7.271 1.00 . A A . 8 TRP HH2 1 1 19 5155 1 1 8 TRP HZ2 H -2.294 -0.258 7.480 1.00 . A A . 8 TRP HZ2 1 1 19 5156 1 1 8 TRP HZ3 H -4.739 -2.844 5.070 1.00 . A A . 8 TRP HZ3 1 1 19 5157 1 1 8 TRP N N -4.480 1.901 1.109 1.00 . A A . 8 TRP N 1 1 19 5158 1 1 8 TRP NE1 N -1.475 1.165 5.138 1.00 . A A . 8 TRP NE1 1 1 19 5159 1 1 8 TRP O O -3.098 1.354 -1.330 1.00 . A A . 8 TRP O 1 1 19 5160 1 1 9 LYS C C -0.028 4.158 -1.925 1.00 . A A . 9 LYS C 1 1 19 5161 1 1 9 LYS CA C -1.367 3.421 -2.006 1.00 . A A . 9 LYS CA 1 1 19 5162 1 1 9 LYS CB C -2.450 4.195 -2.761 1.00 . A A . 9 LYS CB 1 1 19 5163 1 1 9 LYS CD C -2.504 4.918 -5.177 1.00 . A A . 9 LYS CD 1 1 19 5164 1 1 9 LYS CE C -3.909 5.271 -5.669 1.00 . A A . 9 LYS CE 1 1 19 5165 1 1 9 LYS CG C -2.544 3.729 -4.216 1.00 . A A . 9 LYS CG 1 1 19 5166 1 1 9 LYS H H -1.454 3.684 0.059 1.00 . A A . 9 LYS H 1 1 19 5167 1 1 9 LYS HA H -1.213 2.482 -2.536 1.00 . A A . 9 LYS HA 1 1 19 5168 1 1 9 LYS HB2 H -3.412 4.056 -2.269 1.00 . A A . 9 LYS HB2 1 1 19 5169 1 1 9 LYS HB3 H -2.228 5.261 -2.731 1.00 . A A . 9 LYS HB3 1 1 19 5170 1 1 9 LYS HD2 H -2.063 5.781 -4.676 1.00 . A A . 9 LYS HD2 1 1 19 5171 1 1 9 LYS HD3 H -1.866 4.683 -6.027 1.00 . A A . 9 LYS HD3 1 1 19 5172 1 1 9 LYS HE2 H -4.537 4.380 -5.666 1.00 . A A . 9 LYS HE2 1 1 19 5173 1 1 9 LYS HE3 H -4.370 5.988 -4.989 1.00 . A A . 9 LYS HE3 1 1 19 5174 1 1 9 LYS HG2 H -1.719 3.050 -4.437 1.00 . A A . 9 LYS HG2 1 1 19 5175 1 1 9 LYS HG3 H -3.466 3.167 -4.363 1.00 . A A . 9 LYS HG3 1 1 19 5176 1 1 9 LYS HZ1 H -3.064 5.460 -7.521 1.00 . A A . 9 LYS HZ1 1 1 19 5177 1 1 9 LYS HZ2 H -4.690 5.610 -7.527 1.00 . A A . 9 LYS HZ2 1 1 19 5178 1 1 9 LYS HZ3 H -3.761 6.835 -6.978 1.00 . A A . 9 LYS HZ3 1 1 19 5179 1 1 9 LYS N N -1.817 3.095 -0.664 1.00 . A A . 9 LYS N 1 1 19 5180 1 1 9 LYS NZ N -3.852 5.840 -7.034 1.00 . A A . 9 LYS NZ 1 1 19 5181 1 1 9 LYS O O 0.326 4.909 -2.833 1.00 . A A . 9 LYS O 1 1 19 5182 1 1 10 LYS C C 3.081 3.540 -0.924 1.00 . A A . 10 LYS C 1 1 19 5183 1 1 10 LYS CA C 1.970 4.548 -0.620 1.00 . A A . 10 LYS CA 1 1 19 5184 1 1 10 LYS CB C 2.051 5.148 0.785 1.00 . A A . 10 LYS CB 1 1 19 5185 1 1 10 LYS CD C 4.194 6.424 1.158 1.00 . A A . 10 LYS CD 1 1 19 5186 1 1 10 LYS CE C 4.809 7.814 1.331 1.00 . A A . 10 LYS CE 1 1 19 5187 1 1 10 LYS CG C 2.721 6.523 0.756 1.00 . A A . 10 LYS CG 1 1 19 5188 1 1 10 LYS H H 0.383 3.305 -0.098 1.00 . A A . 10 LYS H 1 1 19 5189 1 1 10 LYS HA H 2.050 5.373 -1.328 1.00 . A A . 10 LYS HA 1 1 19 5190 1 1 10 LYS HB2 H 1.049 5.236 1.204 1.00 . A A . 10 LYS HB2 1 1 19 5191 1 1 10 LYS HB3 H 2.612 4.479 1.437 1.00 . A A . 10 LYS HB3 1 1 19 5192 1 1 10 LYS HD2 H 4.283 5.863 2.088 1.00 . A A . 10 LYS HD2 1 1 19 5193 1 1 10 LYS HD3 H 4.745 5.870 0.398 1.00 . A A . 10 LYS HD3 1 1 19 5194 1 1 10 LYS HE2 H 4.040 8.577 1.211 1.00 . A A . 10 LYS HE2 1 1 19 5195 1 1 10 LYS HE3 H 5.207 7.918 2.342 1.00 . A A . 10 LYS HE3 1 1 19 5196 1 1 10 LYS HG2 H 2.640 6.950 -0.243 1.00 . A A . 10 LYS HG2 1 1 19 5197 1 1 10 LYS HG3 H 2.199 7.199 1.434 1.00 . A A . 10 LYS HG3 1 1 19 5198 1 1 10 LYS HZ1 H 6.616 8.578 0.757 1.00 . A A . 10 LYS HZ1 1 1 19 5199 1 1 10 LYS HZ2 H 6.261 7.146 0.057 1.00 . A A . 10 LYS HZ2 1 1 19 5200 1 1 10 LYS HZ3 H 5.522 8.509 -0.454 1.00 . A A . 10 LYS HZ3 1 1 19 5201 1 1 10 LYS N N 0.678 3.916 -0.831 1.00 . A A . 10 LYS N 1 1 19 5202 1 1 10 LYS NZ N 5.890 8.029 0.343 1.00 . A A . 10 LYS NZ 1 1 19 5203 1 1 10 LYS O O 3.554 2.844 -0.027 1.00 . A A . 10 LYS O 1 1 19 5204 1 1 11 ALA C C 5.877 3.185 -2.287 1.00 . A A . 11 ALA C 1 1 19 5205 1 1 11 ALA CA C 4.512 2.584 -2.623 1.00 . A A . 11 ALA CA 1 1 19 5206 1 1 11 ALA CB C 4.353 2.296 -4.117 1.00 . A A . 11 ALA CB 1 1 19 5207 1 1 11 ALA H H 3.076 4.064 -2.914 1.00 . A A . 11 ALA H 1 1 19 5208 1 1 11 ALA HA H 4.388 1.652 -2.071 1.00 . A A . 11 ALA HA 1 1 19 5209 1 1 11 ALA HB1 H 4.887 3.054 -4.692 1.00 . A A . 11 ALA HB1 1 1 19 5210 1 1 11 ALA HB2 H 4.762 1.312 -4.344 1.00 . A A . 11 ALA HB2 1 1 19 5211 1 1 11 ALA HB3 H 3.295 2.319 -4.381 1.00 . A A . 11 ALA HB3 1 1 19 5212 1 1 11 ALA N N 3.465 3.495 -2.190 1.00 . A A . 11 ALA N 1 1 19 5213 1 1 11 ALA O O 6.063 4.398 -2.373 1.00 . A A . 11 ALA O 1 1 19 5214 1 1 12 LYS C C 8.964 1.526 -1.129 1.00 . A A . 12 LYS C 1 1 19 5215 1 1 12 LYS CA C 8.141 2.740 -1.562 1.00 . A A . 12 LYS CA 1 1 19 5216 1 1 12 LYS CB C 8.092 3.854 -0.514 1.00 . A A . 12 LYS CB 1 1 19 5217 1 1 12 LYS CD C 6.918 4.658 1.568 1.00 . A A . 12 LYS CD 1 1 19 5218 1 1 12 LYS CE C 7.933 4.751 2.709 1.00 . A A . 12 LYS CE 1 1 19 5219 1 1 12 LYS CG C 7.211 3.453 0.671 1.00 . A A . 12 LYS CG 1 1 19 5220 1 1 12 LYS H H 6.639 1.325 -1.845 1.00 . A A . 12 LYS H 1 1 19 5221 1 1 12 LYS HA H 8.593 3.162 -2.460 1.00 . A A . 12 LYS HA 1 1 19 5222 1 1 12 LYS HB2 H 9.100 4.075 -0.165 1.00 . A A . 12 LYS HB2 1 1 19 5223 1 1 12 LYS HB3 H 7.704 4.767 -0.967 1.00 . A A . 12 LYS HB3 1 1 19 5224 1 1 12 LYS HD2 H 6.946 5.572 0.976 1.00 . A A . 12 LYS HD2 1 1 19 5225 1 1 12 LYS HD3 H 5.911 4.573 1.978 1.00 . A A . 12 LYS HD3 1 1 19 5226 1 1 12 LYS HE2 H 8.332 3.761 2.930 1.00 . A A . 12 LYS HE2 1 1 19 5227 1 1 12 LYS HE3 H 8.775 5.373 2.405 1.00 . A A . 12 LYS HE3 1 1 19 5228 1 1 12 LYS HG2 H 6.274 3.031 0.306 1.00 . A A . 12 LYS HG2 1 1 19 5229 1 1 12 LYS HG3 H 7.707 2.675 1.250 1.00 . A A . 12 LYS HG3 1 1 19 5230 1 1 12 LYS HZ1 H 6.418 4.877 4.074 1.00 . A A . 12 LYS HZ1 1 1 19 5231 1 1 12 LYS HZ2 H 7.894 5.163 4.711 1.00 . A A . 12 LYS HZ2 1 1 19 5232 1 1 12 LYS HZ3 H 7.164 6.302 3.795 1.00 . A A . 12 LYS HZ3 1 1 19 5233 1 1 12 LYS N N 6.798 2.310 -1.912 1.00 . A A . 12 LYS N 1 1 19 5234 1 1 12 LYS NZ N 7.301 5.319 3.920 1.00 . A A . 12 LYS NZ 1 1 19 5235 1 1 12 LYS O O 9.398 1.364 0.011 1.00 . A A . 12 LYS O 1 1 19 5236 1 1 13 DPR C C 9.539 -1.731 -1.055 1.00 . A A . 13 DPR C 1 1 19 5237 1 1 13 DPR CA C 10.117 -0.550 -1.915 1.00 . A A . 13 DPR CA 1 1 19 5238 1 1 13 DPR CB C 10.436 -0.896 -3.386 1.00 . A A . 13 DPR CB 1 1 19 5239 1 1 13 DPR CD C 8.632 0.702 -3.472 1.00 . A A . 13 DPR CD 1 1 19 5240 1 1 13 DPR CG C 9.159 -0.556 -4.161 1.00 . A A . 13 DPR CG 1 1 19 5241 1 1 13 DPR HA H 11.062 -0.221 -1.435 1.00 . A A . 13 DPR HA 1 1 19 5242 1 1 13 DPR HB2 H 10.747 -1.950 -3.524 1.00 . A A . 13 DPR HB2 1 1 19 5243 1 1 13 DPR HB3 H 11.279 -0.274 -3.748 1.00 . A A . 13 DPR HB3 1 1 19 5244 1 1 13 DPR HD2 H 7.525 0.732 -3.469 1.00 . A A . 13 DPR HD2 1 1 19 5245 1 1 13 DPR HD3 H 8.995 1.614 -3.986 1.00 . A A . 13 DPR HD3 1 1 19 5246 1 1 13 DPR HG2 H 9.336 -0.412 -5.242 1.00 . A A . 13 DPR HG2 1 1 19 5247 1 1 13 DPR HG3 H 8.426 -1.381 -4.057 1.00 . A A . 13 DPR HG3 1 1 19 5248 1 1 13 DPR N N 9.195 0.610 -2.108 1.00 . A A . 13 DPR N 1 1 19 5249 1 1 13 DPR O O 8.463 -2.268 -1.323 1.00 . A A . 13 DPR O 1 1 19 5250 1 1 14 PRO C C 8.575 -3.414 1.482 1.00 . A A . 14 PRO C 1 1 19 5251 1 1 14 PRO CA C 9.963 -3.370 0.757 1.00 . A A . 14 PRO CA 1 1 19 5252 1 1 14 PRO CB C 11.189 -3.459 1.694 1.00 . A A . 14 PRO CB 1 1 19 5253 1 1 14 PRO CD C 11.449 -1.379 0.479 1.00 . A A . 14 PRO CD 1 1 19 5254 1 1 14 PRO CG C 11.709 -2.023 1.842 1.00 . A A . 14 PRO CG 1 1 19 5255 1 1 14 PRO HA H 9.984 -4.251 0.087 1.00 . A A . 14 PRO HA 1 1 19 5256 1 1 14 PRO HB2 H 10.961 -3.930 2.669 1.00 . A A . 14 PRO HB2 1 1 19 5257 1 1 14 PRO HB3 H 11.969 -4.090 1.224 1.00 . A A . 14 PRO HB3 1 1 19 5258 1 1 14 PRO HD2 H 11.233 -0.295 0.558 1.00 . A A . 14 PRO HD2 1 1 19 5259 1 1 14 PRO HD3 H 12.316 -1.497 -0.202 1.00 . A A . 14 PRO HD3 1 1 19 5260 1 1 14 PRO HG2 H 11.142 -1.488 2.629 1.00 . A A . 14 PRO HG2 1 1 19 5261 1 1 14 PRO HG3 H 12.776 -1.981 2.131 1.00 . A A . 14 PRO HG3 1 1 19 5262 1 1 14 PRO N N 10.296 -2.147 -0.022 1.00 . A A . 14 PRO N 1 1 19 5263 1 1 14 PRO O O 8.201 -4.417 2.078 1.00 . A A . 14 PRO O 1 1 20 5264 1 1 1 THR C C 5.879 -2.055 1.061 1.00 . A A . 1 THR C 1 1 20 5265 1 1 1 THR CA C 6.831 -3.248 1.170 1.00 . A A . 1 THR CA 1 1 20 5266 1 1 1 THR CB C 7.150 -3.639 2.615 1.00 . A A . 1 THR CB 1 1 20 5267 1 1 1 THR CG2 C 5.954 -3.453 3.550 1.00 . A A . 1 THR CG2 1 1 20 5268 1 1 1 THR H1 H 8.656 -2.272 0.941 1.00 . A A . 1 THR H1 1 1 20 5269 1 1 1 THR HA H 6.352 -4.087 0.664 1.00 . A A . 1 THR HA 1 1 20 5270 1 1 1 THR HB H 8.020 -3.095 2.981 1.00 . A A . 1 THR HB 1 1 20 5271 1 1 1 THR HG1 H 8.307 -5.272 2.576 1.00 . A A . 1 THR HG1 1 1 20 5272 1 1 1 THR HG21 H 5.067 -3.899 3.100 1.00 . A A . 1 THR HG21 1 1 20 5273 1 1 1 THR HG22 H 6.159 -3.938 4.504 1.00 . A A . 1 THR HG22 1 1 20 5274 1 1 1 THR HG23 H 5.782 -2.389 3.714 1.00 . A A . 1 THR HG23 1 1 20 5275 1 1 1 THR N N 8.084 -2.960 0.495 1.00 . A A . 1 THR N 1 1 20 5276 1 1 1 THR O O 5.902 -1.158 1.901 1.00 . A A . 1 THR O 1 1 20 5277 1 1 1 THR OG1 O 7.331 -5.052 2.560 1.00 . A A . 1 THR OG1 1 1 20 5278 1 1 2 TRP C C 2.784 -1.415 0.441 1.00 . A A . 2 TRP C 1 1 20 5279 1 1 2 TRP CA C 4.106 -1.015 -0.215 1.00 . A A . 2 TRP CA 1 1 20 5280 1 1 2 TRP CB C 3.966 -0.718 -1.709 1.00 . A A . 2 TRP CB 1 1 20 5281 1 1 2 TRP CD1 C 5.967 -2.079 -2.608 1.00 . A A . 2 TRP CD1 1 1 20 5282 1 1 2 TRP CD2 C 4.068 -2.515 -3.664 1.00 . A A . 2 TRP CD2 1 1 20 5283 1 1 2 TRP CE2 C 5.047 -3.300 -4.236 1.00 . A A . 2 TRP CE2 1 1 20 5284 1 1 2 TRP CE3 C 2.737 -2.559 -4.114 1.00 . A A . 2 TRP CE3 1 1 20 5285 1 1 2 TRP CG C 4.673 -1.730 -2.613 1.00 . A A . 2 TRP CG 1 1 20 5286 1 1 2 TRP CH2 C 3.481 -4.248 -5.756 1.00 . A A . 2 TRP CH2 1 1 20 5287 1 1 2 TRP CZ2 C 4.800 -4.187 -5.290 1.00 . A A . 2 TRP CZ2 1 1 20 5288 1 1 2 TRP CZ3 C 2.506 -3.450 -5.168 1.00 . A A . 2 TRP CZ3 1 1 20 5289 1 1 2 TRP H H 5.051 -2.817 -0.664 1.00 . A A . 2 TRP H 1 1 20 5290 1 1 2 TRP HA H 4.496 -0.111 0.254 1.00 . A A . 2 TRP HA 1 1 20 5291 1 1 2 TRP HB2 H 2.907 -0.694 -1.967 1.00 . A A . 2 TRP HB2 1 1 20 5292 1 1 2 TRP HB3 H 4.366 0.275 -1.911 1.00 . A A . 2 TRP HB3 1 1 20 5293 1 1 2 TRP HD1 H 6.711 -1.666 -1.927 1.00 . A A . 2 TRP HD1 1 1 20 5294 1 1 2 TRP HE1 H 7.210 -3.478 -3.779 1.00 . A A . 2 TRP HE1 1 1 20 5295 1 1 2 TRP HE3 H 1.946 -1.948 -3.679 1.00 . A A . 2 TRP HE3 1 1 20 5296 1 1 2 TRP HH2 H 3.220 -4.918 -6.575 1.00 . A A . 2 TRP HH2 1 1 20 5297 1 1 2 TRP HZ2 H 5.592 -4.797 -5.725 1.00 . A A . 2 TRP HZ2 1 1 20 5298 1 1 2 TRP HZ3 H 1.490 -3.523 -5.557 1.00 . A A . 2 TRP HZ3 1 1 20 5299 1 1 2 TRP N N 5.064 -2.083 0.016 1.00 . A A . 2 TRP N 1 1 20 5300 1 1 2 TRP NE1 N 6.239 -3.026 -3.574 1.00 . A A . 2 TRP NE1 1 1 20 5301 1 1 2 TRP O O 2.445 -0.922 1.516 1.00 . A A . 2 TRP O 1 1 20 5302 1 1 3 LEU C C -0.281 -1.727 -0.007 1.00 . A A . 3 LEU C 1 1 20 5303 1 1 3 LEU CA C 0.794 -2.780 0.272 1.00 . A A . 3 LEU CA 1 1 20 5304 1 1 3 LEU CB C 0.909 -3.164 1.749 1.00 . A A . 3 LEU CB 1 1 20 5305 1 1 3 LEU CD1 C 0.822 -5.322 3.051 1.00 . A A . 3 LEU CD1 1 1 20 5306 1 1 3 LEU CD2 C -1.210 -3.807 2.955 1.00 . A A . 3 LEU CD2 1 1 20 5307 1 1 3 LEU CG C 0.023 -4.323 2.212 1.00 . A A . 3 LEU CG 1 1 20 5308 1 1 3 LEU H H 2.354 -2.704 -1.105 1.00 . A A . 3 LEU H 1 1 20 5309 1 1 3 LEU HA H 0.541 -3.687 -0.278 1.00 . A A . 3 LEU HA 1 1 20 5310 1 1 3 LEU HB2 H 1.948 -3.422 1.957 1.00 . A A . 3 LEU HB2 1 1 20 5311 1 1 3 LEU HB3 H 0.671 -2.288 2.351 1.00 . A A . 3 LEU HB3 1 1 20 5312 1 1 3 LEU HD11 H 1.076 -6.188 2.440 1.00 . A A . 3 LEU HD11 1 1 20 5313 1 1 3 LEU HD12 H 1.736 -4.848 3.408 1.00 . A A . 3 LEU HD12 1 1 20 5314 1 1 3 LEU HD13 H 0.222 -5.642 3.903 1.00 . A A . 3 LEU HD13 1 1 20 5315 1 1 3 LEU HD21 H -1.994 -4.563 2.928 1.00 . A A . 3 LEU HD21 1 1 20 5316 1 1 3 LEU HD22 H -0.947 -3.593 3.991 1.00 . A A . 3 LEU HD22 1 1 20 5317 1 1 3 LEU HD23 H -1.569 -2.896 2.475 1.00 . A A . 3 LEU HD23 1 1 20 5318 1 1 3 LEU HG H -0.332 -4.855 1.328 1.00 . A A . 3 LEU HG 1 1 20 5319 1 1 3 LEU N N 2.072 -2.307 -0.233 1.00 . A A . 3 LEU N 1 1 20 5320 1 1 3 LEU O O 0.018 -0.536 -0.086 1.00 . A A . 3 LEU O 1 1 20 5321 1 1 4 LYS C C -3.738 -1.581 0.605 1.00 . A A . 4 LYS C 1 1 20 5322 1 1 4 LYS CA C -2.629 -1.318 -0.416 1.00 . A A . 4 LYS CA 1 1 20 5323 1 1 4 LYS CB C -3.086 -1.457 -1.870 1.00 . A A . 4 LYS CB 1 1 20 5324 1 1 4 LYS CD C -5.038 -1.269 -3.454 1.00 . A A . 4 LYS CD 1 1 20 5325 1 1 4 LYS CE C -5.987 -2.468 -3.479 1.00 . A A . 4 LYS CE 1 1 20 5326 1 1 4 LYS CG C -4.535 -0.996 -2.036 1.00 . A A . 4 LYS CG 1 1 20 5327 1 1 4 LYS H H -1.743 -3.173 -0.081 1.00 . A A . 4 LYS H 1 1 20 5328 1 1 4 LYS HA H -2.275 -0.294 -0.286 1.00 . A A . 4 LYS HA 1 1 20 5329 1 1 4 LYS HB2 H -2.437 -0.868 -2.517 1.00 . A A . 4 LYS HB2 1 1 20 5330 1 1 4 LYS HB3 H -2.992 -2.497 -2.186 1.00 . A A . 4 LYS HB3 1 1 20 5331 1 1 4 LYS HD2 H -5.552 -0.387 -3.838 1.00 . A A . 4 LYS HD2 1 1 20 5332 1 1 4 LYS HD3 H -4.192 -1.457 -4.115 1.00 . A A . 4 LYS HD3 1 1 20 5333 1 1 4 LYS HE2 H -5.686 -3.162 -4.263 1.00 . A A . 4 LYS HE2 1 1 20 5334 1 1 4 LYS HE3 H -5.924 -3.009 -2.534 1.00 . A A . 4 LYS HE3 1 1 20 5335 1 1 4 LYS HG2 H -5.169 -1.513 -1.315 1.00 . A A . 4 LYS HG2 1 1 20 5336 1 1 4 LYS HG3 H -4.609 0.069 -1.818 1.00 . A A . 4 LYS HG3 1 1 20 5337 1 1 4 LYS HZ1 H -7.877 -2.730 -4.213 1.00 . A A . 4 LYS HZ1 1 1 20 5338 1 1 4 LYS HZ2 H -7.829 -1.863 -2.830 1.00 . A A . 4 LYS HZ2 1 1 20 5339 1 1 4 LYS HZ3 H -7.376 -1.176 -4.241 1.00 . A A . 4 LYS HZ3 1 1 20 5340 1 1 4 LYS N N -1.508 -2.204 -0.148 1.00 . A A . 4 LYS N 1 1 20 5341 1 1 4 LYS NZ N -7.379 -2.023 -3.709 1.00 . A A . 4 LYS NZ 1 1 20 5342 1 1 4 LYS O O -3.983 -0.759 1.486 1.00 . A A . 4 LYS O 1 1 20 5343 1 1 5 LYS C C -6.701 -2.288 1.025 1.00 . A A . 5 LYS C 1 1 20 5344 1 1 5 LYS CA C -5.455 -3.113 1.350 1.00 . A A . 5 LYS CA 1 1 20 5345 1 1 5 LYS CB C -5.004 -2.998 2.808 1.00 . A A . 5 LYS CB 1 1 20 5346 1 1 5 LYS CD C -6.816 -3.023 4.560 1.00 . A A . 5 LYS CD 1 1 20 5347 1 1 5 LYS CE C -8.084 -3.804 4.914 1.00 . A A . 5 LYS CE 1 1 20 5348 1 1 5 LYS CG C -5.864 -3.875 3.719 1.00 . A A . 5 LYS CG 1 1 20 5349 1 1 5 LYS H H -4.172 -3.395 -0.267 1.00 . A A . 5 LYS H 1 1 20 5350 1 1 5 LYS HA H -5.678 -4.164 1.163 1.00 . A A . 5 LYS HA 1 1 20 5351 1 1 5 LYS HB2 H -3.958 -3.293 2.893 1.00 . A A . 5 LYS HB2 1 1 20 5352 1 1 5 LYS HB3 H -5.068 -1.959 3.130 1.00 . A A . 5 LYS HB3 1 1 20 5353 1 1 5 LYS HD2 H -6.314 -2.704 5.474 1.00 . A A . 5 LYS HD2 1 1 20 5354 1 1 5 LYS HD3 H -7.083 -2.119 4.011 1.00 . A A . 5 LYS HD3 1 1 20 5355 1 1 5 LYS HE2 H -8.357 -4.459 4.088 1.00 . A A . 5 LYS HE2 1 1 20 5356 1 1 5 LYS HE3 H -7.894 -4.443 5.778 1.00 . A A . 5 LYS HE3 1 1 20 5357 1 1 5 LYS HG2 H -6.437 -4.580 3.116 1.00 . A A . 5 LYS HG2 1 1 20 5358 1 1 5 LYS HG3 H -5.223 -4.464 4.373 1.00 . A A . 5 LYS HG3 1 1 20 5359 1 1 5 LYS HZ1 H -9.982 -3.396 5.554 1.00 . A A . 5 LYS HZ1 1 1 20 5360 1 1 5 LYS HZ2 H -8.907 -2.217 5.903 1.00 . A A . 5 LYS HZ2 1 1 20 5361 1 1 5 LYS HZ3 H -9.459 -2.392 4.377 1.00 . A A . 5 LYS HZ3 1 1 20 5362 1 1 5 LYS N N -4.377 -2.732 0.452 1.00 . A A . 5 LYS N 1 1 20 5363 1 1 5 LYS NZ N -9.198 -2.876 5.211 1.00 . A A . 5 LYS NZ 1 1 20 5364 1 1 5 LYS O O -7.679 -2.815 0.498 1.00 . A A . 5 LYS O 1 1 20 5365 1 1 6 ARG C C -7.251 1.133 0.340 1.00 . A A . 6 ARG C 1 1 20 5366 1 1 6 ARG CA C -7.735 -0.102 1.101 1.00 . A A . 6 ARG CA 1 1 20 5367 1 1 6 ARG CB C -8.393 0.338 2.410 1.00 . A A . 6 ARG CB 1 1 20 5368 1 1 6 ARG CD C -10.250 1.949 2.972 1.00 . A A . 6 ARG CD 1 1 20 5369 1 1 6 ARG CG C -9.866 0.689 2.192 1.00 . A A . 6 ARG CG 1 1 20 5370 1 1 6 ARG CZ C -11.474 2.458 5.082 1.00 . A A . 6 ARG CZ 1 1 20 5371 1 1 6 ARG H H -5.826 -0.585 1.780 1.00 . A A . 6 ARG H 1 1 20 5372 1 1 6 ARG HA H -8.437 -0.683 0.502 1.00 . A A . 6 ARG HA 1 1 20 5373 1 1 6 ARG HB2 H -8.312 -0.460 3.149 1.00 . A A . 6 ARG HB2 1 1 20 5374 1 1 6 ARG HB3 H -7.865 1.202 2.814 1.00 . A A . 6 ARG HB3 1 1 20 5375 1 1 6 ARG HD2 H -9.359 2.537 3.190 1.00 . A A . 6 ARG HD2 1 1 20 5376 1 1 6 ARG HD3 H -10.904 2.576 2.366 1.00 . A A . 6 ARG HD3 1 1 20 5377 1 1 6 ARG HE H -10.991 0.605 4.463 1.00 . A A . 6 ARG HE 1 1 20 5378 1 1 6 ARG HG2 H -10.053 0.844 1.129 1.00 . A A . 6 ARG HG2 1 1 20 5379 1 1 6 ARG HG3 H -10.493 -0.143 2.508 1.00 . A A . 6 ARG HG3 1 1 20 5380 1 1 6 ARG HH11 H -10.972 4.090 3.976 1.00 . A A . 6 ARG HH11 1 1 20 5381 1 1 6 ARG HH12 H -11.823 4.428 5.447 1.00 . A A . 6 ARG HH12 1 1 20 5382 1 1 6 ARG HH21 H -12.114 1.050 6.402 1.00 . A A . 6 ARG HH21 1 1 20 5383 1 1 6 ARG HH22 H -12.477 2.687 6.836 1.00 . A A . 6 ARG HH22 1 1 20 5384 1 1 6 ARG N N -6.626 -1.006 1.352 1.00 . A A . 6 ARG N 1 1 20 5385 1 1 6 ARG NE N -10.931 1.576 4.231 1.00 . A A . 6 ARG NE 1 1 20 5386 1 1 6 ARG NH1 N -11.419 3.770 4.813 1.00 . A A . 6 ARG NH1 1 1 20 5387 1 1 6 ARG NH2 N -12.072 2.029 6.201 1.00 . A A . 6 ARG NH2 1 1 20 5388 1 1 6 ARG O O -7.454 2.262 0.788 1.00 . A A . 6 ARG O 1 1 20 5389 1 1 7 ARG C C -4.832 2.537 -1.011 1.00 . A A . 7 ARG C 1 1 20 5390 1 1 7 ARG CA C -6.108 1.958 -1.626 1.00 . A A . 7 ARG CA 1 1 20 5391 1 1 7 ARG CB C -7.143 3.074 -1.781 1.00 . A A . 7 ARG CB 1 1 20 5392 1 1 7 ARG CD C -6.608 4.407 -3.854 1.00 . A A . 7 ARG CD 1 1 20 5393 1 1 7 ARG CG C -7.483 3.304 -3.255 1.00 . A A . 7 ARG CG 1 1 20 5394 1 1 7 ARG CZ C -7.797 4.869 -5.995 1.00 . A A . 7 ARG CZ 1 1 20 5395 1 1 7 ARG H H -6.461 -0.040 -1.155 1.00 . A A . 7 ARG H 1 1 20 5396 1 1 7 ARG HA H -5.903 1.495 -2.591 1.00 . A A . 7 ARG HA 1 1 20 5397 1 1 7 ARG HB2 H -8.048 2.814 -1.232 1.00 . A A . 7 ARG HB2 1 1 20 5398 1 1 7 ARG HB3 H -6.759 3.995 -1.345 1.00 . A A . 7 ARG HB3 1 1 20 5399 1 1 7 ARG HD2 H -6.186 5.021 -3.058 1.00 . A A . 7 ARG HD2 1 1 20 5400 1 1 7 ARG HD3 H -5.770 3.965 -4.393 1.00 . A A . 7 ARG HD3 1 1 20 5401 1 1 7 ARG HE H -7.681 6.159 -4.453 1.00 . A A . 7 ARG HE 1 1 20 5402 1 1 7 ARG HG2 H -7.341 2.379 -3.814 1.00 . A A . 7 ARG HG2 1 1 20 5403 1 1 7 ARG HG3 H -8.534 3.576 -3.352 1.00 . A A . 7 ARG HG3 1 1 20 5404 1 1 7 ARG HH11 H -6.916 3.039 -5.891 1.00 . A A . 7 ARG HH11 1 1 20 5405 1 1 7 ARG HH12 H -7.747 3.375 -7.373 1.00 . A A . 7 ARG HH12 1 1 20 5406 1 1 7 ARG HH21 H -8.777 6.602 -6.409 1.00 . A A . 7 ARG HH21 1 1 20 5407 1 1 7 ARG HH22 H -8.812 5.415 -7.670 1.00 . A A . 7 ARG HH22 1 1 20 5408 1 1 7 ARG N N -6.622 0.880 -0.798 1.00 . A A . 7 ARG N 1 1 20 5409 1 1 7 ARG NE N -7.411 5.249 -4.769 1.00 . A A . 7 ARG NE 1 1 20 5410 1 1 7 ARG NH1 N -7.458 3.658 -6.459 1.00 . A A . 7 ARG NH1 1 1 20 5411 1 1 7 ARG NH2 N -8.524 5.699 -6.755 1.00 . A A . 7 ARG NH2 1 1 20 5412 1 1 7 ARG O O -4.173 3.379 -1.619 1.00 . A A . 7 ARG O 1 1 20 5413 1 1 8 TRP C C -2.110 1.984 0.153 1.00 . A A . 8 TRP C 1 1 20 5414 1 1 8 TRP CA C -3.337 2.523 0.890 1.00 . A A . 8 TRP CA 1 1 20 5415 1 1 8 TRP CB C -3.379 2.110 2.363 1.00 . A A . 8 TRP CB 1 1 20 5416 1 1 8 TRP CD1 C -3.739 4.489 3.300 1.00 . A A . 8 TRP CD1 1 1 20 5417 1 1 8 TRP CD2 C -4.933 2.946 4.349 1.00 . A A . 8 TRP CD2 1 1 20 5418 1 1 8 TRP CE2 C -5.216 4.159 4.941 1.00 . A A . 8 TRP CE2 1 1 20 5419 1 1 8 TRP CE3 C -5.539 1.756 4.791 1.00 . A A . 8 TRP CE3 1 1 20 5420 1 1 8 TRP CG C -3.978 3.170 3.290 1.00 . A A . 8 TRP CG 1 1 20 5421 1 1 8 TRP CH2 C -6.724 3.130 6.467 1.00 . A A . 8 TRP CH2 1 1 20 5422 1 1 8 TRP CZ2 C -6.110 4.302 6.010 1.00 . A A . 8 TRP CZ2 1 1 20 5423 1 1 8 TRP CZ3 C -6.429 1.915 5.859 1.00 . A A . 8 TRP CZ3 1 1 20 5424 1 1 8 TRP H H -5.064 1.378 0.674 1.00 . A A . 8 TRP H 1 1 20 5425 1 1 8 TRP HA H -3.339 3.613 0.867 1.00 . A A . 8 TRP HA 1 1 20 5426 1 1 8 TRP HB2 H -3.959 1.191 2.457 1.00 . A A . 8 TRP HB2 1 1 20 5427 1 1 8 TRP HB3 H -2.366 1.883 2.695 1.00 . A A . 8 TRP HB3 1 1 20 5428 1 1 8 TRP HD1 H -3.055 4.992 2.617 1.00 . A A . 8 TRP HD1 1 1 20 5429 1 1 8 TRP HE1 H -4.455 6.195 4.503 1.00 . A A . 8 TRP HE1 1 1 20 5430 1 1 8 TRP HE3 H -5.332 0.785 4.340 1.00 . A A . 8 TRP HE3 1 1 20 5431 1 1 8 TRP HH2 H -7.431 3.171 7.296 1.00 . A A . 8 TRP HH2 1 1 20 5432 1 1 8 TRP HZ2 H -6.315 5.272 6.461 1.00 . A A . 8 TRP HZ2 1 1 20 5433 1 1 8 TRP HZ3 H -6.926 1.024 6.242 1.00 . A A . 8 TRP HZ3 1 1 20 5434 1 1 8 TRP N N -4.523 2.063 0.186 1.00 . A A . 8 TRP N 1 1 20 5435 1 1 8 TRP NE1 N -4.466 5.128 4.283 1.00 . A A . 8 TRP NE1 1 1 20 5436 1 1 8 TRP O O -1.298 1.267 0.735 1.00 . A A . 8 TRP O 1 1 20 5437 1 1 9 LYS C C 0.276 2.871 -1.751 1.00 . A A . 9 LYS C 1 1 20 5438 1 1 9 LYS CA C -0.901 1.912 -1.940 1.00 . A A . 9 LYS CA 1 1 20 5439 1 1 9 LYS CB C -1.339 1.756 -3.397 1.00 . A A . 9 LYS CB 1 1 20 5440 1 1 9 LYS CD C -0.685 0.923 -5.686 1.00 . A A . 9 LYS CD 1 1 20 5441 1 1 9 LYS CE C -0.160 2.029 -6.602 1.00 . A A . 9 LYS CE 1 1 20 5442 1 1 9 LYS CG C -0.223 1.141 -4.243 1.00 . A A . 9 LYS CG 1 1 20 5443 1 1 9 LYS H H -2.680 2.934 -1.582 1.00 . A A . 9 LYS H 1 1 20 5444 1 1 9 LYS HA H -0.601 0.925 -1.587 1.00 . A A . 9 LYS HA 1 1 20 5445 1 1 9 LYS HB2 H -2.228 1.127 -3.449 1.00 . A A . 9 LYS HB2 1 1 20 5446 1 1 9 LYS HB3 H -1.614 2.729 -3.804 1.00 . A A . 9 LYS HB3 1 1 20 5447 1 1 9 LYS HD2 H -0.334 -0.047 -6.041 1.00 . A A . 9 LYS HD2 1 1 20 5448 1 1 9 LYS HD3 H -1.773 0.900 -5.723 1.00 . A A . 9 LYS HD3 1 1 20 5449 1 1 9 LYS HE2 H -0.876 2.849 -6.640 1.00 . A A . 9 LYS HE2 1 1 20 5450 1 1 9 LYS HE3 H 0.768 2.435 -6.199 1.00 . A A . 9 LYS HE3 1 1 20 5451 1 1 9 LYS HG2 H 0.649 1.794 -4.232 1.00 . A A . 9 LYS HG2 1 1 20 5452 1 1 9 LYS HG3 H 0.086 0.190 -3.808 1.00 . A A . 9 LYS HG3 1 1 20 5453 1 1 9 LYS HZ1 H -0.802 1.269 -8.389 1.00 . A A . 9 LYS HZ1 1 1 20 5454 1 1 9 LYS HZ2 H 0.534 2.200 -8.517 1.00 . A A . 9 LYS HZ2 1 1 20 5455 1 1 9 LYS HZ3 H 0.649 0.687 -7.915 1.00 . A A . 9 LYS HZ3 1 1 20 5456 1 1 9 LYS N N -2.015 2.350 -1.116 1.00 . A A . 9 LYS N 1 1 20 5457 1 1 9 LYS NZ N 0.075 1.504 -7.967 1.00 . A A . 9 LYS NZ 1 1 20 5458 1 1 9 LYS O O 0.702 3.531 -2.697 1.00 . A A . 9 LYS O 1 1 20 5459 1 1 10 LYS C C 3.178 3.172 -0.737 1.00 . A A . 10 LYS C 1 1 20 5460 1 1 10 LYS CA C 1.887 3.787 -0.197 1.00 . A A . 10 LYS CA 1 1 20 5461 1 1 10 LYS CB C 1.925 4.073 1.306 1.00 . A A . 10 LYS CB 1 1 20 5462 1 1 10 LYS CD C 3.207 5.206 3.158 1.00 . A A . 10 LYS CD 1 1 20 5463 1 1 10 LYS CE C 4.268 4.223 3.659 1.00 . A A . 10 LYS CE 1 1 20 5464 1 1 10 LYS CG C 3.019 5.087 1.645 1.00 . A A . 10 LYS CG 1 1 20 5465 1 1 10 LYS H H 0.416 2.379 0.243 1.00 . A A . 10 LYS H 1 1 20 5466 1 1 10 LYS HA H 1.719 4.738 -0.701 1.00 . A A . 10 LYS HA 1 1 20 5467 1 1 10 LYS HB2 H 0.957 4.454 1.633 1.00 . A A . 10 LYS HB2 1 1 20 5468 1 1 10 LYS HB3 H 2.101 3.146 1.852 1.00 . A A . 10 LYS HB3 1 1 20 5469 1 1 10 LYS HD2 H 3.501 6.224 3.413 1.00 . A A . 10 LYS HD2 1 1 20 5470 1 1 10 LYS HD3 H 2.261 5.011 3.662 1.00 . A A . 10 LYS HD3 1 1 20 5471 1 1 10 LYS HE2 H 5.054 4.116 2.910 1.00 . A A . 10 LYS HE2 1 1 20 5472 1 1 10 LYS HE3 H 4.739 4.615 4.560 1.00 . A A . 10 LYS HE3 1 1 20 5473 1 1 10 LYS HG2 H 3.957 4.782 1.181 1.00 . A A . 10 LYS HG2 1 1 20 5474 1 1 10 LYS HG3 H 2.759 6.059 1.229 1.00 . A A . 10 LYS HG3 1 1 20 5475 1 1 10 LYS HZ1 H 4.027 2.545 4.800 1.00 . A A . 10 LYS HZ1 1 1 20 5476 1 1 10 LYS HZ2 H 2.669 3.004 4.018 1.00 . A A . 10 LYS HZ2 1 1 20 5477 1 1 10 LYS HZ3 H 3.876 2.271 3.198 1.00 . A A . 10 LYS HZ3 1 1 20 5478 1 1 10 LYS N N 0.768 2.919 -0.521 1.00 . A A . 10 LYS N 1 1 20 5479 1 1 10 LYS NZ N 3.661 2.904 3.942 1.00 . A A . 10 LYS NZ 1 1 20 5480 1 1 10 LYS O O 3.726 2.246 -0.141 1.00 . A A . 10 LYS O 1 1 20 5481 1 1 11 ALA C C 6.054 3.697 -1.681 1.00 . A A . 11 ALA C 1 1 20 5482 1 1 11 ALA CA C 4.845 3.226 -2.491 1.00 . A A . 11 ALA CA 1 1 20 5483 1 1 11 ALA CB C 4.894 3.703 -3.944 1.00 . A A . 11 ALA CB 1 1 20 5484 1 1 11 ALA H H 3.176 4.463 -2.341 1.00 . A A . 11 ALA H 1 1 20 5485 1 1 11 ALA HA H 4.812 2.136 -2.479 1.00 . A A . 11 ALA HA 1 1 20 5486 1 1 11 ALA HB1 H 4.058 3.273 -4.495 1.00 . A A . 11 ALA HB1 1 1 20 5487 1 1 11 ALA HB2 H 4.826 4.790 -3.971 1.00 . A A . 11 ALA HB2 1 1 20 5488 1 1 11 ALA HB3 H 5.832 3.385 -4.398 1.00 . A A . 11 ALA HB3 1 1 20 5489 1 1 11 ALA N N 3.627 3.711 -1.862 1.00 . A A . 11 ALA N 1 1 20 5490 1 1 11 ALA O O 6.568 4.792 -1.906 1.00 . A A . 11 ALA O 1 1 20 5491 1 1 12 LYS C C 8.415 1.887 0.354 1.00 . A A . 12 LYS C 1 1 20 5492 1 1 12 LYS CA C 7.613 3.162 0.089 1.00 . A A . 12 LYS CA 1 1 20 5493 1 1 12 LYS CB C 7.155 3.876 1.363 1.00 . A A . 12 LYS CB 1 1 20 5494 1 1 12 LYS CD C 7.970 4.780 3.572 1.00 . A A . 12 LYS CD 1 1 20 5495 1 1 12 LYS CE C 7.506 6.230 3.709 1.00 . A A . 12 LYS CE 1 1 20 5496 1 1 12 LYS CG C 8.347 4.459 2.124 1.00 . A A . 12 LYS CG 1 1 20 5497 1 1 12 LYS H H 6.051 1.958 -0.578 1.00 . A A . 12 LYS H 1 1 20 5498 1 1 12 LYS HA H 8.245 3.860 -0.461 1.00 . A A . 12 LYS HA 1 1 20 5499 1 1 12 LYS HB2 H 6.457 4.673 1.107 1.00 . A A . 12 LYS HB2 1 1 20 5500 1 1 12 LYS HB3 H 6.618 3.176 2.003 1.00 . A A . 12 LYS HB3 1 1 20 5501 1 1 12 LYS HD2 H 7.179 4.107 3.903 1.00 . A A . 12 LYS HD2 1 1 20 5502 1 1 12 LYS HD3 H 8.828 4.606 4.221 1.00 . A A . 12 LYS HD3 1 1 20 5503 1 1 12 LYS HE2 H 7.952 6.838 2.922 1.00 . A A . 12 LYS HE2 1 1 20 5504 1 1 12 LYS HE3 H 6.425 6.286 3.581 1.00 . A A . 12 LYS HE3 1 1 20 5505 1 1 12 LYS HG2 H 9.176 3.751 2.108 1.00 . A A . 12 LYS HG2 1 1 20 5506 1 1 12 LYS HG3 H 8.693 5.365 1.625 1.00 . A A . 12 LYS HG3 1 1 20 5507 1 1 12 LYS HZ1 H 8.131 7.736 4.943 1.00 . A A . 12 LYS HZ1 1 1 20 5508 1 1 12 LYS HZ2 H 7.108 6.686 5.662 1.00 . A A . 12 LYS HZ2 1 1 20 5509 1 1 12 LYS HZ3 H 8.661 6.260 5.395 1.00 . A A . 12 LYS HZ3 1 1 20 5510 1 1 12 LYS N N 6.474 2.846 -0.755 1.00 . A A . 12 LYS N 1 1 20 5511 1 1 12 LYS NZ N 7.882 6.772 5.035 1.00 . A A . 12 LYS NZ 1 1 20 5512 1 1 12 LYS O O 8.180 1.111 1.281 1.00 . A A . 12 LYS O 1 1 20 5513 1 1 13 DPR C C 9.866 -0.897 -0.550 1.00 . A A . 13 DPR C 1 1 20 5514 1 1 13 DPR CA C 10.422 0.555 -0.320 1.00 . A A . 13 DPR CA 1 1 20 5515 1 1 13 DPR CB C 11.531 1.001 -1.296 1.00 . A A . 13 DPR CB 1 1 20 5516 1 1 13 DPR CD C 9.645 2.429 -1.762 1.00 . A A . 13 DPR CD 1 1 20 5517 1 1 13 DPR CG C 10.795 1.692 -2.446 1.00 . A A . 13 DPR CG 1 1 20 5518 1 1 13 DPR HA H 10.841 0.590 0.707 1.00 . A A . 13 DPR HA 1 1 20 5519 1 1 13 DPR HB2 H 12.166 0.162 -1.642 1.00 . A A . 13 DPR HB2 1 1 20 5520 1 1 13 DPR HB3 H 12.213 1.717 -0.794 1.00 . A A . 13 DPR HB3 1 1 20 5521 1 1 13 DPR HD2 H 8.740 2.457 -2.400 1.00 . A A . 13 DPR HD2 1 1 20 5522 1 1 13 DPR HD3 H 9.929 3.474 -1.529 1.00 . A A . 13 DPR HD3 1 1 20 5523 1 1 13 DPR HG2 H 11.447 2.364 -3.035 1.00 . A A . 13 DPR HG2 1 1 20 5524 1 1 13 DPR HG3 H 10.395 0.931 -3.147 1.00 . A A . 13 DPR HG3 1 1 20 5525 1 1 13 DPR N N 9.431 1.654 -0.520 1.00 . A A . 13 DPR N 1 1 20 5526 1 1 13 DPR O O 8.809 -1.105 -1.147 1.00 . A A . 13 DPR O 1 1 20 5527 1 1 14 PRO C C 8.952 -3.908 0.117 1.00 . A A . 14 PRO C 1 1 20 5528 1 1 14 PRO CA C 10.316 -3.331 -0.394 1.00 . A A . 14 PRO CA 1 1 20 5529 1 1 14 PRO CB C 11.571 -4.031 0.176 1.00 . A A . 14 PRO CB 1 1 20 5530 1 1 14 PRO CD C 11.791 -1.697 0.789 1.00 . A A . 14 PRO CD 1 1 20 5531 1 1 14 PRO CG C 12.095 -3.111 1.288 1.00 . A A . 14 PRO CG 1 1 20 5532 1 1 14 PRO HA H 10.316 -3.478 -1.493 1.00 . A A . 14 PRO HA 1 1 20 5533 1 1 14 PRO HB2 H 11.374 -5.060 0.534 1.00 . A A . 14 PRO HB2 1 1 20 5534 1 1 14 PRO HB3 H 12.336 -4.126 -0.619 1.00 . A A . 14 PRO HB3 1 1 20 5535 1 1 14 PRO HD2 H 11.578 -0.992 1.617 1.00 . A A . 14 PRO HD2 1 1 20 5536 1 1 14 PRO HD3 H 12.635 -1.278 0.205 1.00 . A A . 14 PRO HD3 1 1 20 5537 1 1 14 PRO HG2 H 11.554 -3.304 2.232 1.00 . A A . 14 PRO HG2 1 1 20 5538 1 1 14 PRO HG3 H 13.171 -3.262 1.497 1.00 . A A . 14 PRO HG3 1 1 20 5539 1 1 14 PRO N N 10.623 -1.910 -0.083 1.00 . A A . 14 PRO N 1 1 20 5540 1 1 14 PRO O O 8.827 -5.096 0.395 1.00 . A A . 14 PRO O 1 1 stop_ save_
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