NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
531645 | 2l9a | 17442 | cing | 4-filtered-FRED | STAR | entry | full | 79 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2l9a # This FRED archive file contains, for PDB entry <2l9a>: # # - 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_2l9a _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2l9a _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 2666.51 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 $LAK160_P12 A . 1 1 stop_ save_ save_LAK160_P12 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "LAK160 P12" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code KKLKLALAKLAPLWKALALKLKKA _Entity.Number_of_monomers 24 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 LYS . 1 1 2 LYS . 1 1 3 LEU . 1 1 4 LYS . 1 1 5 LEU . 1 1 6 ALA . 1 1 7 LEU . 1 1 8 ALA . 1 1 9 LYS . 1 1 10 LEU . 1 1 11 ALA . 1 1 12 PRO . 1 1 13 LEU . 1 1 14 TRP . 1 1 15 LYS . 1 1 16 ALA . 1 1 17 LEU . 1 1 18 ALA . 1 1 19 LEU . 1 1 20 LYS . 1 1 21 LEU . 1 1 22 LYS . 1 1 23 LYS . 1 1 24 ALA . 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 LYS 1 1 1 1 LYS 2 2 1 1 LEU 3 3 1 1 LYS 4 4 1 1 LEU 5 5 1 1 ALA 6 6 1 1 LEU 7 7 1 1 ALA 8 8 1 1 LYS 9 9 1 1 LEU 10 10 1 1 ALA 11 11 1 1 PRO 12 12 1 1 LEU 13 13 1 1 TRP 14 14 1 1 LYS 15 15 1 1 ALA 16 16 1 1 LEU 17 17 1 1 ALA 18 18 1 1 LEU 19 19 1 1 LYS 20 20 1 1 LEU 21 21 1 1 LYS 22 22 1 1 LYS 23 23 1 1 ALA 24 24 1 1 stop_ save_ save_CNS/XPLOR_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 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 LYS H1 . 1 . HT# 1 1 1 1 2 1 1 1 LYS HA . 1 . HA 1 1 2 1 1 1 1 1 LYS HA . 1 . HA 1 1 2 1 2 1 1 2 LYS H . 2 . HN 1 1 3 1 1 1 1 1 LYS HA . 1 . HA 1 1 3 1 2 1 1 5 LEU H . 5 . HN 1 1 4 1 1 1 1 1 LYS HA . 1 . HA 1 1 4 1 2 1 1 6 ALA H . 6 . HN 1 1 5 1 1 1 1 2 LYS HA . 2 . HA 1 1 5 1 2 1 1 3 LEU H . 3 . HN 1 1 6 1 1 1 1 2 LYS HA . 2 . HA 1 1 6 1 2 1 1 6 ALA H . 6 . HN 1 1 7 1 1 1 1 3 LEU H . 3 . HN 1 1 7 1 2 1 1 3 LEU HA . 3 . HA 1 1 8 1 1 1 1 3 LEU H . 3 . HN 1 1 8 1 2 1 1 5 LEU H . 5 . HN 1 1 9 1 1 1 1 4 LYS H . 4 . HN 1 1 9 1 2 1 1 4 LYS HA . 4 . HA 1 1 10 1 1 1 1 4 LYS H . 4 . HN 1 1 10 1 2 1 1 5 LEU H . 5 . HN 1 1 11 1 1 1 1 4 LYS HA . 4 . HA 1 1 11 1 2 1 1 5 LEU H . 5 . HN 1 1 12 1 1 1 1 4 LYS HA . 4 . HA 1 1 12 1 2 1 1 6 ALA H . 6 . HN 1 1 13 1 1 1 1 4 LYS HA . 4 . HA 1 1 13 1 2 1 1 7 LEU H . 7 . HN 1 1 14 1 1 1 1 5 LEU H . 5 . HN 1 1 14 1 2 1 1 5 LEU HA . 5 . HA 1 1 15 1 1 1 1 5 LEU H . 5 . HN 1 1 15 1 2 1 1 6 ALA H . 6 . HN 1 1 16 1 1 1 1 5 LEU HA . 5 . HA 1 1 16 1 2 1 1 7 LEU H . 7 . HN 1 1 17 1 1 1 1 6 ALA H . 6 . HN 1 1 17 1 2 1 1 6 ALA HA . 6 . HA 1 1 18 1 1 1 1 6 ALA H . 6 . HN 1 1 18 1 2 1 1 7 LEU H . 7 . HN 1 1 19 1 1 1 1 7 LEU H . 7 . HN 1 1 19 1 2 1 1 7 LEU HA . 7 . HA 1 1 20 1 1 1 1 7 LEU H . 7 . HN 1 1 20 1 2 1 1 9 LYS H . 9 . HN 1 1 21 1 1 1 1 8 ALA H . 8 . HN 1 1 21 1 2 1 1 8 ALA HA . 8 . HA 1 1 22 1 1 1 1 8 ALA H . 8 . HN 1 1 22 1 2 1 1 9 LYS H . 9 . HN 1 1 23 1 1 1 1 9 LYS H . 9 . HN 1 1 23 1 2 1 1 9 LYS HA . 9 . HA 1 1 24 1 1 1 1 9 LYS H . 9 . HN 1 1 24 1 2 1 1 10 LEU H . 10 . HN 1 1 25 1 1 1 1 9 LYS H . 9 . HN 1 1 25 1 2 1 1 11 ALA H . 11 . HN 1 1 26 1 1 1 1 9 LYS HA . 9 . HA 1 1 26 1 2 1 1 10 LEU H . 10 . HN 1 1 27 1 1 1 1 10 LEU H . 10 . HN 1 1 27 1 2 1 1 10 LEU HA . 10 . HA 1 1 28 1 1 1 1 10 LEU HA . 10 . HA 1 1 28 1 2 1 1 11 ALA H . 11 . HN 1 1 29 1 1 1 1 11 ALA H . 11 . HN 1 1 29 1 2 1 1 11 ALA HA . 11 . HA 1 1 30 1 1 1 1 11 ALA H . 11 . HN 1 1 30 1 2 1 1 12 PRO HD2 . 12 . HD2 1 1 31 1 1 1 1 11 ALA H . 11 . HN 1 1 31 1 2 1 1 13 LEU H . 13 . HN 1 1 32 1 1 1 1 12 PRO HA . 12 . HA 1 1 32 1 2 1 1 13 LEU H . 13 . HN 1 1 33 1 1 1 1 12 PRO HA . 12 . HA 1 1 33 1 2 1 1 14 TRP H . 14 . HN 1 1 34 1 1 1 1 12 PRO HA . 12 . HA 1 1 34 1 2 1 1 15 LYS H . 15 . HN 1 1 35 1 1 1 1 12 PRO HD2 . 12 . HD2 1 1 35 1 2 1 1 13 LEU H . 13 . HN 1 1 36 1 1 1 1 13 LEU H . 13 . HN 1 1 36 1 2 1 1 13 LEU HA . 13 . HA 1 1 37 1 1 1 1 14 TRP H . 14 . HN 1 1 37 1 2 1 1 14 TRP HA . 14 . HA 1 1 38 1 1 1 1 14 TRP H . 14 . HN 1 1 38 1 2 1 1 15 LYS H . 15 . HN 1 1 39 1 1 1 1 14 TRP H . 14 . HN 1 1 39 1 2 1 1 16 ALA H . 16 . HN 1 1 40 1 1 1 1 14 TRP HA . 14 . HA 1 1 40 1 2 1 1 15 LYS H . 15 . HN 1 1 41 1 1 1 1 14 TRP HA . 14 . HA 1 1 41 1 2 1 1 16 ALA H . 16 . HN 1 1 42 1 1 1 1 14 TRP HA . 14 . HA 1 1 42 1 2 1 1 17 LEU H . 17 . HN 1 1 43 1 1 1 1 14 TRP HA . 14 . HA 1 1 43 1 2 1 1 18 ALA H . 18 . HN 1 1 44 1 1 1 1 15 LYS H . 15 . HN 1 1 44 1 2 1 1 15 LYS HA . 15 . HA 1 1 45 1 1 1 1 15 LYS H . 15 . HN 1 1 45 1 2 1 1 16 ALA H . 16 . HN 1 1 46 1 1 1 1 15 LYS HA . 15 . HA 1 1 46 1 2 1 1 16 ALA H . 16 . HN 1 1 47 1 1 1 1 16 ALA H . 16 . HN 1 1 47 1 2 1 1 16 ALA HA . 16 . HA 1 1 48 1 1 1 1 16 ALA H . 16 . HN 1 1 48 1 2 1 1 17 LEU H . 17 . HN 1 1 49 1 1 1 1 16 ALA H . 16 . HN 1 1 49 1 2 1 1 17 LEU HA . 17 . HA 1 1 50 1 1 1 1 16 ALA H . 16 . HN 1 1 50 1 2 1 1 18 ALA H . 18 . HN 1 1 51 1 1 1 1 16 ALA HA . 16 . HA 1 1 51 1 2 1 1 17 LEU H . 17 . HN 1 1 52 1 1 1 1 16 ALA HA . 16 . HA 1 1 52 1 2 1 1 18 ALA H . 18 . HN 1 1 53 1 1 1 1 16 ALA HA . 16 . HA 1 1 53 1 2 1 1 19 LEU H . 19 . HN 1 1 54 1 1 1 1 17 LEU H . 17 . HN 1 1 54 1 2 1 1 17 LEU HA . 17 . HA 1 1 55 1 1 1 1 17 LEU H . 17 . HN 1 1 55 1 2 1 1 18 ALA H . 18 . HN 1 1 56 1 1 1 1 17 LEU H . 17 . HN 1 1 56 1 2 1 1 18 ALA HA . 18 . HA 1 1 57 1 1 1 1 17 LEU HA . 17 . HA 1 1 57 1 2 1 1 18 ALA H . 18 . HN 1 1 58 1 1 1 1 18 ALA H . 18 . HN 1 1 58 1 2 1 1 18 ALA HA . 18 . HA 1 1 59 1 1 1 1 18 ALA H . 18 . HN 1 1 59 1 2 1 1 19 LEU H . 19 . HN 1 1 60 1 1 1 1 18 ALA H . 18 . HN 1 1 60 1 2 1 1 20 LYS H . 20 . HN 1 1 61 1 1 1 1 18 ALA HA . 18 . HA 1 1 61 1 2 1 1 19 LEU H . 19 . HN 1 1 62 1 1 1 1 18 ALA HA . 18 . HA 1 1 62 1 2 1 1 20 LYS H . 20 . HN 1 1 63 1 1 1 1 18 ALA HA . 18 . HA 1 1 63 1 2 1 1 21 LEU H . 21 . HN 1 1 64 1 1 1 1 18 ALA HA . 18 . HA 1 1 64 1 2 1 1 22 LYS H . 22 . HN 1 1 65 1 1 1 1 19 LEU H . 19 . HN 1 1 65 1 2 1 1 20 LYS H . 20 . HN 1 1 66 1 1 1 1 19 LEU HA . 19 . HA 1 1 66 1 2 1 1 20 LYS H . 20 . HN 1 1 67 1 1 1 1 19 LEU HA . 19 . HA 1 1 67 1 2 1 1 21 LEU H . 21 . HN 1 1 68 1 1 1 1 19 LEU HA . 19 . HA 1 1 68 1 2 1 1 22 LYS H . 22 . HN 1 1 69 1 1 1 1 20 LYS H . 20 . HN 1 1 69 1 2 1 1 20 LYS HA . 20 . HA 1 1 70 1 1 1 1 20 LYS H . 20 . HN 1 1 70 1 2 1 1 21 LEU H . 21 . HN 1 1 71 1 1 1 1 20 LYS H . 20 . HN 1 1 71 1 2 1 1 22 LYS H . 22 . HN 1 1 72 1 1 1 1 20 LYS HA . 20 . HA 1 1 72 1 2 1 1 23 LYS H . 23 . HN 1 1 73 1 1 1 1 21 LEU H . 21 . HN 1 1 73 1 2 1 1 21 LEU HA . 21 . HA 1 1 74 1 1 1 1 21 LEU H . 21 . HN 1 1 74 1 2 1 1 22 LYS H . 22 . HN 1 1 75 1 1 1 1 21 LEU H . 21 . HN 1 1 75 1 2 1 1 23 LYS H . 23 . HN 1 1 76 1 1 1 1 22 LYS H . 22 . HN 1 1 76 1 2 1 1 22 LYS HA . 22 . HA 1 1 77 1 1 1 1 22 LYS H . 22 . HN 1 1 77 1 2 1 1 23 LYS H . 23 . HN 1 1 78 1 1 1 1 23 LYS H . 23 . HN 1 1 78 1 2 1 1 23 LYS HA . 23 . HA 1 1 79 1 1 1 1 24 ALA H . 24 . HN 1 1 79 1 2 1 1 24 ALA HA . 24 . HA 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.776 1.813 3.739 1 1 2 1 . . . . . 3.528 1.972 5.084 1 1 3 1 . . . . . 3.186 1.917 4.455 1 1 4 1 . . . . . 3.59 1.979 5.201 1 1 5 1 . . . . . 4.082 1.999 6.165 1 1 6 1 . . . . . 3.667 1.986 5.348 1 1 7 1 . . . . . 2.861 1.838 3.884 1 1 8 1 . . . . . 3.631 1.983 5.279 1 1 9 1 . . . . . 2.742 1.802 3.682 1 1 10 1 . . . . . 2.857 1.836 3.878 1 1 11 1 . . . . . 3.075 1.893 4.257 1 1 12 1 . . . . . 3.296 1.938 4.654 1 1 13 1 . . . . . 3.12 1.903 4.337 1 1 14 1 . . . . . 2.599 1.755 3.443 1 1 15 1 . . . . . 2.776 1.813 3.739 1 1 16 1 . . . . . 2.618 1.761 3.475 1 1 17 1 . . . . . 2.606 1.757 3.455 1 1 18 1 . . . . . 2.662 1.776 3.548 1 1 19 1 . . . . . 2.683 1.783 3.583 1 1 20 1 . . . . . 2.6 1.755 3.445 1 1 21 1 . . . . . 2.249 1.617 2.881 1 1 22 1 . . . . . 2.372 1.669 3.075 1 1 23 1 . . . . . 2.24 1.613 2.867 1 1 24 1 . . . . . 2.9 1.849 3.951 1 1 25 1 . . . . . 2.683 1.783 3.583 1 1 26 1 . . . . . 3.024 1.881 4.167 1 1 27 1 . . . . . 2.801 1.82 3.782 1 1 28 1 . . . . . 2.787 1.816 3.758 1 1 29 1 . . . . . 2.373 1.669 3.077 1 1 30 1 . . . . . 3.104 1.9 4.308 1 1 31 1 . . . . . 3.673 1.987 5.359 1 1 32 1 . . . . . 2.831 1.829 3.833 1 1 33 1 . . . . . 3.053 1.888 4.218 1 1 34 1 . . . . . 3.039 1.884 4.194 1 1 35 1 . . . . . 2.927 1.856 3.998 1 1 36 1 . . . . . 2.399 1.679 3.119 1 1 37 1 . . . . . 2.847 1.833 3.861 1 1 38 1 . . . . . 3.215 1.923 4.507 1 1 39 1 . . . . . 3.149 1.91 4.388 1 1 40 1 . . . . . 2.973 1.868 4.078 1 1 41 1 . . . . . 3.3 1.938 4.662 1 1 42 1 . . . . . 3.155 1.91 4.4 1 1 43 1 . . . . . 3.525 1.972 5.078 1 1 44 1 . . . . . 2.694 1.787 3.601 1 1 45 1 . . . . . 2.616 1.76 3.472 1 1 46 1 . . . . . 3.15 1.91 4.39 1 1 47 1 . . . . . 2.737 1.801 3.673 1 1 48 1 . . . . . 2.854 1.836 3.872 1 1 49 1 . . . . . 3.862 1.998 5.726 1 1 50 1 . . . . . 3.642 1.984 5.3 1 1 51 1 . . . . . 3.0 1.875 4.125 1 1 52 1 . . . . . 3.51 1.97 5.05 1 1 53 1 . . . . . 2.681 1.782 3.58 1 1 54 1 . . . . . 2.841 1.832 3.85 1 1 55 1 . . . . . 2.819 1.826 3.812 1 1 56 1 . . . . . 3.397 1.955 4.839 1 1 57 1 . . . . . 3.048 1.887 4.209 1 1 58 1 . . . . . 2.62 1.762 3.478 1 1 59 1 . . . . . 3.414 1.957 4.871 1 1 60 1 . . . . . 3.183 1.916 4.45 1 1 61 1 . . . . . 3.437 1.961 4.913 1 1 62 1 . . . . . 3.321 1.942 4.7 1 1 63 1 . . . . . 3.381 1.952 4.81 1 1 64 1 . . . . . 3.68 1.987 5.373 1 1 65 1 . . . . . 2.739 1.801 3.677 1 1 66 1 . . . . . 2.701 1.789 3.613 1 1 67 1 . . . . . 3.233 1.927 4.539 1 1 68 1 . . . . . 3.531 1.973 5.089 1 1 69 1 . . . . . 2.569 1.744 3.394 1 1 70 1 . . . . . 2.776 1.813 3.739 1 1 71 1 . . . . . 3.748 1.992 5.504 1 1 72 1 . . . . . 2.773 1.812 3.734 1 1 73 1 . . . . . 2.44 1.696 3.184 1 1 74 1 . . . . . 2.692 1.786 3.598 1 1 75 1 . . . . . 3.463 1.964 4.962 1 1 76 1 . . . . . 2.448 1.699 3.197 1 1 77 1 . . . . . 2.825 1.827 3.823 1 1 78 1 . . . . . 2.24 1.613 2.867 1 1 79 1 . . . . . 2.358 1.663 3.053 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 LYS C C 7.998 -0.402 -14.592 1.00 . A X . 1 LYS C 1 1 1 2 1 1 1 LYS CA C 6.996 -0.242 -15.734 1.00 . A X . 1 LYS CA 1 1 1 3 1 1 1 LYS CB C 7.337 -1.200 -16.883 1.00 . A X . 1 LYS CB 1 1 1 4 1 1 1 LYS CD C 4.954 -1.803 -17.359 1.00 . A X . 1 LYS CD 1 1 1 5 1 1 1 LYS CE C 3.788 -1.619 -18.316 1.00 . A X . 1 LYS CE 1 1 1 6 1 1 1 LYS CG C 6.250 -1.273 -17.943 1.00 . A X . 1 LYS CG 1 1 1 7 1 1 1 LYS H1 H 6.300 1.234 -17.029 1.00 . A X . 1 LYS H1 1 1 1 8 1 1 1 LYS H2 H 7.900 1.464 -16.520 1.00 . A X . 1 LYS H2 1 1 1 9 1 1 1 LYS H3 H 6.616 1.783 -15.460 1.00 . A X . 1 LYS H3 1 1 1 10 1 1 1 LYS HA H 6.015 -0.492 -15.355 1.00 . A X . 1 LYS HA 1 1 1 11 1 1 1 LYS HB2 H 8.250 -0.869 -17.354 1.00 . A X . 1 LYS HB2 1 1 1 12 1 1 1 LYS HB3 H 7.486 -2.192 -16.482 1.00 . A X . 1 LYS HB3 1 1 1 13 1 1 1 LYS HD2 H 5.070 -2.856 -17.149 1.00 . A X . 1 LYS HD2 1 1 1 14 1 1 1 LYS HD3 H 4.741 -1.273 -16.442 1.00 . A X . 1 LYS HD3 1 1 1 15 1 1 1 LYS HE2 H 2.904 -2.054 -17.872 1.00 . A X . 1 LYS HE2 1 1 1 16 1 1 1 LYS HE3 H 3.630 -0.563 -18.467 1.00 . A X . 1 LYS HE3 1 1 1 17 1 1 1 LYS HG2 H 6.077 -0.284 -18.342 1.00 . A X . 1 LYS HG2 1 1 1 18 1 1 1 LYS HG3 H 6.574 -1.932 -18.735 1.00 . A X . 1 LYS HG3 1 1 1 19 1 1 1 LYS HZ1 H 4.696 -1.691 -20.199 1.00 . A X . 1 LYS HZ1 1 1 1 20 1 1 1 LYS HZ2 H 3.131 -2.356 -20.158 1.00 . A X . 1 LYS HZ2 1 1 1 21 1 1 1 LYS HZ3 H 4.436 -3.217 -19.501 1.00 . A X . 1 LYS HZ3 1 1 1 22 1 1 1 LYS N N 6.953 1.155 -16.218 1.00 . A X . 1 LYS N 1 1 1 23 1 1 1 LYS NZ N 4.030 -2.266 -19.633 1.00 . A X . 1 LYS NZ 1 1 1 24 1 1 1 LYS O O 7.600 -0.503 -13.428 1.00 . A X . 1 LYS O 1 1 1 25 1 1 2 LYS C C 10.616 0.593 -13.063 1.00 . A X . 2 LYS C 1 1 1 26 1 1 2 LYS CA C 10.321 -0.650 -13.911 1.00 . A X . 2 LYS CA 1 1 1 27 1 1 2 LYS CB C 11.605 -1.204 -14.557 1.00 . A X . 2 LYS CB 1 1 1 28 1 1 2 LYS CD C 13.597 -0.896 -16.039 1.00 . A X . 2 LYS CD 1 1 1 29 1 1 2 LYS CE C 14.433 0.081 -16.848 1.00 . A X . 2 LYS CE 1 1 1 30 1 1 2 LYS CG C 12.291 -0.282 -15.559 1.00 . A X . 2 LYS CG 1 1 1 31 1 1 2 LYS H H 9.558 -0.166 -15.833 1.00 . A X . 2 LYS H 1 1 1 32 1 1 2 LYS HA H 9.922 -1.408 -13.252 1.00 . A X . 2 LYS HA 1 1 1 33 1 1 2 LYS HB2 H 12.313 -1.421 -13.773 1.00 . A X . 2 LYS HB2 1 1 1 34 1 1 2 LYS HB3 H 11.359 -2.125 -15.065 1.00 . A X . 2 LYS HB3 1 1 1 35 1 1 2 LYS HD2 H 14.171 -1.211 -15.181 1.00 . A X . 2 LYS HD2 1 1 1 36 1 1 2 LYS HD3 H 13.370 -1.754 -16.655 1.00 . A X . 2 LYS HD3 1 1 1 37 1 1 2 LYS HE2 H 14.632 0.950 -16.239 1.00 . A X . 2 LYS HE2 1 1 1 38 1 1 2 LYS HE3 H 15.368 -0.393 -17.106 1.00 . A X . 2 LYS HE3 1 1 1 39 1 1 2 LYS HG2 H 11.638 -0.130 -16.405 1.00 . A X . 2 LYS HG2 1 1 1 40 1 1 2 LYS HG3 H 12.500 0.667 -15.085 1.00 . A X . 2 LYS HG3 1 1 1 41 1 1 2 LYS HZ1 H 12.948 1.140 -17.868 1.00 . A X . 2 LYS HZ1 1 1 1 42 1 1 2 LYS HZ2 H 13.391 -0.312 -18.620 1.00 . A X . 2 LYS HZ2 1 1 1 43 1 1 2 LYS HZ3 H 14.420 1.036 -18.706 1.00 . A X . 2 LYS HZ3 1 1 1 44 1 1 2 LYS N N 9.292 -0.382 -14.911 1.00 . A X . 2 LYS N 1 1 1 45 1 1 2 LYS NZ N 13.752 0.516 -18.095 1.00 . A X . 2 LYS NZ 1 1 1 46 1 1 2 LYS O O 11.697 1.180 -13.123 1.00 . A X . 2 LYS O 1 1 1 47 1 1 3 LEU C C 8.510 2.187 -10.467 1.00 . A X . 3 LEU C 1 1 1 48 1 1 3 LEU CA C 9.752 2.101 -11.345 1.00 . A X . 3 LEU CA 1 1 1 49 1 1 3 LEU CB C 9.971 3.446 -12.068 1.00 . A X . 3 LEU CB 1 1 1 50 1 1 3 LEU CD1 C 8.975 5.505 -13.097 1.00 . A X . 3 LEU CD1 1 1 1 51 1 1 3 LEU CD2 C 8.501 3.280 -14.111 1.00 . A X . 3 LEU CD2 1 1 1 52 1 1 3 LEU CG C 8.758 4.027 -12.811 1.00 . A X . 3 LEU CG 1 1 1 53 1 1 3 LEU H H 8.777 0.491 -12.312 1.00 . A X . 3 LEU H 1 1 1 54 1 1 3 LEU HA H 10.606 1.902 -10.712 1.00 . A X . 3 LEU HA 1 1 1 55 1 1 3 LEU HB2 H 10.290 4.169 -11.333 1.00 . A X . 3 LEU HB2 1 1 1 56 1 1 3 LEU HB3 H 10.771 3.316 -12.783 1.00 . A X . 3 LEU HB3 1 1 1 57 1 1 3 LEU HD11 H 9.864 5.630 -13.697 1.00 . A X . 3 LEU HD11 1 1 1 58 1 1 3 LEU HD12 H 9.090 6.039 -12.165 1.00 . A X . 3 LEU HD12 1 1 1 59 1 1 3 LEU HD13 H 8.123 5.896 -13.634 1.00 . A X . 3 LEU HD13 1 1 1 60 1 1 3 LEU HD21 H 7.641 3.705 -14.608 1.00 . A X . 3 LEU HD21 1 1 1 61 1 1 3 LEU HD22 H 8.315 2.236 -13.896 1.00 . A X . 3 LEU HD22 1 1 1 62 1 1 3 LEU HD23 H 9.365 3.366 -14.754 1.00 . A X . 3 LEU HD23 1 1 1 63 1 1 3 LEU HG H 7.881 3.931 -12.187 1.00 . A X . 3 LEU HG 1 1 1 64 1 1 3 LEU N N 9.626 0.984 -12.275 1.00 . A X . 3 LEU N 1 1 1 65 1 1 3 LEU O O 8.591 2.543 -9.298 1.00 . A X . 3 LEU O 1 1 1 66 1 1 4 LYS C C 5.563 0.539 -9.990 1.00 . A X . 4 LYS C 1 1 1 67 1 1 4 LYS CA C 6.101 1.931 -10.313 1.00 . A X . 4 LYS CA 1 1 1 68 1 1 4 LYS CB C 5.065 2.716 -11.122 1.00 . A X . 4 LYS CB 1 1 1 69 1 1 4 LYS CD C 4.355 4.176 -9.217 1.00 . A X . 4 LYS CD 1 1 1 70 1 1 4 LYS CE C 3.217 4.592 -8.310 1.00 . A X . 4 LYS CE 1 1 1 71 1 1 4 LYS CG C 3.894 3.200 -10.283 1.00 . A X . 4 LYS CG 1 1 1 72 1 1 4 LYS H H 7.355 1.554 -11.974 1.00 . A X . 4 LYS H 1 1 1 73 1 1 4 LYS HA H 6.290 2.454 -9.386 1.00 . A X . 4 LYS HA 1 1 1 74 1 1 4 LYS HB2 H 5.545 3.576 -11.564 1.00 . A X . 4 LYS HB2 1 1 1 75 1 1 4 LYS HB3 H 4.680 2.083 -11.907 1.00 . A X . 4 LYS HB3 1 1 1 76 1 1 4 LYS HD2 H 5.121 3.704 -8.622 1.00 . A X . 4 LYS HD2 1 1 1 77 1 1 4 LYS HD3 H 4.761 5.054 -9.697 1.00 . A X . 4 LYS HD3 1 1 1 78 1 1 4 LYS HE2 H 2.413 4.979 -8.916 1.00 . A X . 4 LYS HE2 1 1 1 79 1 1 4 LYS HE3 H 2.873 3.726 -7.765 1.00 . A X . 4 LYS HE3 1 1 1 80 1 1 4 LYS HG2 H 3.180 3.695 -10.926 1.00 . A X . 4 LYS HG2 1 1 1 81 1 1 4 LYS HG3 H 3.426 2.352 -9.805 1.00 . A X . 4 LYS HG3 1 1 1 82 1 1 4 LYS HZ1 H 3.961 6.484 -7.853 1.00 . A X . 4 LYS HZ1 1 1 1 83 1 1 4 LYS HZ2 H 4.413 5.289 -6.743 1.00 . A X . 4 LYS HZ2 1 1 1 84 1 1 4 LYS HZ3 H 2.832 5.901 -6.733 1.00 . A X . 4 LYS HZ3 1 1 1 85 1 1 4 LYS N N 7.359 1.848 -11.042 1.00 . A X . 4 LYS N 1 1 1 86 1 1 4 LYS NZ N 3.635 5.636 -7.342 1.00 . A X . 4 LYS NZ 1 1 1 87 1 1 4 LYS O O 5.259 0.235 -8.838 1.00 . A X . 4 LYS O 1 1 1 88 1 1 5 LEU C C 5.989 -2.539 -10.108 1.00 . A X . 5 LEU C 1 1 1 89 1 1 5 LEU CA C 4.956 -1.670 -10.821 1.00 . A X . 5 LEU CA 1 1 1 90 1 1 5 LEU CB C 4.586 -2.295 -12.169 1.00 . A X . 5 LEU CB 1 1 1 91 1 1 5 LEU CD1 C 3.178 -2.293 -14.241 1.00 . A X . 5 LEU CD1 1 1 1 92 1 1 5 LEU CD2 C 2.206 -1.494 -12.086 1.00 . A X . 5 LEU CD2 1 1 1 93 1 1 5 LEU CG C 3.467 -1.580 -12.933 1.00 . A X . 5 LEU CG 1 1 1 94 1 1 5 LEU H H 5.721 -0.016 -11.904 1.00 . A X . 5 LEU H 1 1 1 95 1 1 5 LEU HA H 4.072 -1.610 -10.205 1.00 . A X . 5 LEU HA 1 1 1 96 1 1 5 LEU HB2 H 5.469 -2.303 -12.794 1.00 . A X . 5 LEU HB2 1 1 1 97 1 1 5 LEU HB3 H 4.278 -3.315 -11.997 1.00 . A X . 5 LEU HB3 1 1 1 98 1 1 5 LEU HD11 H 2.903 -3.318 -14.039 1.00 . A X . 5 LEU HD11 1 1 1 99 1 1 5 LEU HD12 H 4.059 -2.272 -14.865 1.00 . A X . 5 LEU HD12 1 1 1 100 1 1 5 LEU HD13 H 2.365 -1.797 -14.748 1.00 . A X . 5 LEU HD13 1 1 1 101 1 1 5 LEU HD21 H 2.418 -0.951 -11.176 1.00 . A X . 5 LEU HD21 1 1 1 102 1 1 5 LEU HD22 H 1.868 -2.490 -11.841 1.00 . A X . 5 LEU HD22 1 1 1 103 1 1 5 LEU HD23 H 1.436 -0.979 -12.641 1.00 . A X . 5 LEU HD23 1 1 1 104 1 1 5 LEU HG H 3.783 -0.572 -13.164 1.00 . A X . 5 LEU HG 1 1 1 105 1 1 5 LEU N N 5.462 -0.310 -11.007 1.00 . A X . 5 LEU N 1 1 1 106 1 1 5 LEU O O 5.698 -3.660 -9.687 1.00 . A X . 5 LEU O 1 1 1 107 1 1 6 ALA C C 8.399 -2.139 -7.860 1.00 . A X . 6 ALA C 1 1 1 108 1 1 6 ALA CA C 8.267 -2.691 -9.271 1.00 . A X . 6 ALA CA 1 1 1 109 1 1 6 ALA CB C 9.579 -2.540 -10.021 1.00 . A X . 6 ALA CB 1 1 1 110 1 1 6 ALA H H 7.372 -1.134 -10.378 1.00 . A X . 6 ALA H 1 1 1 111 1 1 6 ALA HA H 8.023 -3.743 -9.221 1.00 . A X . 6 ALA HA 1 1 1 112 1 1 6 ALA HB1 H 10.355 -3.079 -9.499 1.00 . A X . 6 ALA HB1 1 1 1 113 1 1 6 ALA HB2 H 9.843 -1.494 -10.081 1.00 . A X . 6 ALA HB2 1 1 1 114 1 1 6 ALA HB3 H 9.471 -2.941 -11.019 1.00 . A X . 6 ALA HB3 1 1 1 115 1 1 6 ALA N N 7.198 -2.010 -9.982 1.00 . A X . 6 ALA N 1 1 1 116 1 1 6 ALA O O 9.274 -2.551 -7.098 1.00 . A X . 6 ALA O 1 1 1 117 1 1 7 LEU C C 6.509 -1.171 -5.301 1.00 . A X . 7 LEU C 1 1 1 118 1 1 7 LEU CA C 7.562 -0.559 -6.217 1.00 . A X . 7 LEU CA 1 1 1 119 1 1 7 LEU CB C 7.324 0.945 -6.372 1.00 . A X . 7 LEU CB 1 1 1 120 1 1 7 LEU CD1 C 8.961 1.692 -4.626 1.00 . A X . 7 LEU CD1 1 1 1 121 1 1 7 LEU CD2 C 7.110 3.214 -5.329 1.00 . A X . 7 LEU CD2 1 1 1 122 1 1 7 LEU CG C 7.517 1.769 -5.096 1.00 . A X . 7 LEU CG 1 1 1 123 1 1 7 LEU H H 6.813 -0.957 -8.151 1.00 . A X . 7 LEU H 1 1 1 124 1 1 7 LEU HA H 8.539 -0.724 -5.790 1.00 . A X . 7 LEU HA 1 1 1 125 1 1 7 LEU HB2 H 8.004 1.318 -7.124 1.00 . A X . 7 LEU HB2 1 1 1 126 1 1 7 LEU HB3 H 6.313 1.093 -6.719 1.00 . A X . 7 LEU HB3 1 1 1 127 1 1 7 LEU HD11 H 9.219 0.663 -4.422 1.00 . A X . 7 LEU HD11 1 1 1 128 1 1 7 LEU HD12 H 9.079 2.277 -3.727 1.00 . A X . 7 LEU HD12 1 1 1 129 1 1 7 LEU HD13 H 9.612 2.080 -5.395 1.00 . A X . 7 LEU HD13 1 1 1 130 1 1 7 LEU HD21 H 7.695 3.627 -6.139 1.00 . A X . 7 LEU HD21 1 1 1 131 1 1 7 LEU HD22 H 7.284 3.786 -4.431 1.00 . A X . 7 LEU HD22 1 1 1 132 1 1 7 LEU HD23 H 6.061 3.255 -5.586 1.00 . A X . 7 LEU HD23 1 1 1 133 1 1 7 LEU HG H 6.891 1.363 -4.316 1.00 . A X . 7 LEU HG 1 1 1 134 1 1 7 LEU N N 7.523 -1.207 -7.517 1.00 . A X . 7 LEU N 1 1 1 135 1 1 7 LEU O O 5.310 -1.044 -5.551 1.00 . A X . 7 LEU O 1 1 1 136 1 1 8 ALA C C 5.396 -3.753 -3.960 1.00 . A X . 8 ALA C 1 1 1 137 1 1 8 ALA CA C 6.103 -2.562 -3.309 1.00 . A X . 8 ALA CA 1 1 1 138 1 1 8 ALA CB C 5.095 -1.599 -2.686 1.00 . A X . 8 ALA CB 1 1 1 139 1 1 8 ALA H H 7.949 -1.925 -4.135 1.00 . A X . 8 ALA H 1 1 1 140 1 1 8 ALA HA H 6.733 -2.936 -2.514 1.00 . A X . 8 ALA HA 1 1 1 141 1 1 8 ALA HB1 H 4.539 -2.106 -1.912 1.00 . A X . 8 ALA HB1 1 1 1 142 1 1 8 ALA HB2 H 4.415 -1.247 -3.446 1.00 . A X . 8 ALA HB2 1 1 1 143 1 1 8 ALA HB3 H 5.620 -0.756 -2.259 1.00 . A X . 8 ALA HB3 1 1 1 144 1 1 8 ALA N N 6.975 -1.871 -4.266 1.00 . A X . 8 ALA N 1 1 1 145 1 1 8 ALA O O 4.584 -4.424 -3.321 1.00 . A X . 8 ALA O 1 1 1 146 1 1 9 LYS C C 3.729 -4.994 -6.314 1.00 . A X . 9 LYS C 1 1 1 147 1 1 9 LYS CA C 5.214 -5.136 -5.998 1.00 . A X . 9 LYS CA 1 1 1 148 1 1 9 LYS CB C 5.479 -6.465 -5.273 1.00 . A X . 9 LYS CB 1 1 1 149 1 1 9 LYS CD C 7.681 -6.865 -6.449 1.00 . A X . 9 LYS CD 1 1 1 150 1 1 9 LYS CE C 7.074 -7.909 -7.378 1.00 . A X . 9 LYS CE 1 1 1 151 1 1 9 LYS CG C 6.958 -6.801 -5.107 1.00 . A X . 9 LYS CG 1 1 1 152 1 1 9 LYS H H 6.289 -3.345 -5.689 1.00 . A X . 9 LYS H 1 1 1 153 1 1 9 LYS HA H 5.750 -5.148 -6.935 1.00 . A X . 9 LYS HA 1 1 1 154 1 1 9 LYS HB2 H 5.029 -6.421 -4.292 1.00 . A X . 9 LYS HB2 1 1 1 155 1 1 9 LYS HB3 H 5.013 -7.261 -5.835 1.00 . A X . 9 LYS HB3 1 1 1 156 1 1 9 LYS HD2 H 7.619 -5.898 -6.924 1.00 . A X . 9 LYS HD2 1 1 1 157 1 1 9 LYS HD3 H 8.720 -7.112 -6.273 1.00 . A X . 9 LYS HD3 1 1 1 158 1 1 9 LYS HE2 H 6.034 -7.664 -7.539 1.00 . A X . 9 LYS HE2 1 1 1 159 1 1 9 LYS HE3 H 7.598 -7.879 -8.322 1.00 . A X . 9 LYS HE3 1 1 1 160 1 1 9 LYS HG2 H 7.423 -6.041 -4.495 1.00 . A X . 9 LYS HG2 1 1 1 161 1 1 9 LYS HG3 H 7.043 -7.760 -4.617 1.00 . A X . 9 LYS HG3 1 1 1 162 1 1 9 LYS HZ1 H 6.617 -9.355 -5.932 1.00 . A X . 9 LYS HZ1 1 1 1 163 1 1 9 LYS HZ2 H 8.156 -9.530 -6.621 1.00 . A X . 9 LYS HZ2 1 1 1 164 1 1 9 LYS HZ3 H 6.775 -9.972 -7.505 1.00 . A X . 9 LYS HZ3 1 1 1 165 1 1 9 LYS N N 5.715 -3.990 -5.234 1.00 . A X . 9 LYS N 1 1 1 166 1 1 9 LYS NZ N 7.162 -9.284 -6.819 1.00 . A X . 9 LYS NZ 1 1 1 167 1 1 9 LYS O O 3.357 -4.635 -7.428 1.00 . A X . 9 LYS O 1 1 1 168 1 1 10 LEU C C 0.907 -3.896 -4.927 1.00 . A X . 10 LEU C 1 1 1 169 1 1 10 LEU CA C 1.446 -5.184 -5.527 1.00 . A X . 10 LEU CA 1 1 1 170 1 1 10 LEU CB C 0.719 -6.393 -4.914 1.00 . A X . 10 LEU CB 1 1 1 171 1 1 10 LEU CD1 C 2.271 -8.292 -5.536 1.00 . A X . 10 LEU CD1 1 1 1 172 1 1 10 LEU CD2 C -0.161 -8.726 -5.163 1.00 . A X . 10 LEU CD2 1 1 1 173 1 1 10 LEU CG C 0.864 -7.724 -5.669 1.00 . A X . 10 LEU CG 1 1 1 174 1 1 10 LEU H H 3.239 -5.536 -4.455 1.00 . A X . 10 LEU H 1 1 1 175 1 1 10 LEU HA H 1.263 -5.170 -6.590 1.00 . A X . 10 LEU HA 1 1 1 176 1 1 10 LEU HB2 H 1.090 -6.536 -3.909 1.00 . A X . 10 LEU HB2 1 1 1 177 1 1 10 LEU HB3 H -0.333 -6.155 -4.856 1.00 . A X . 10 LEU HB3 1 1 1 178 1 1 10 LEU HD11 H 2.983 -7.579 -5.923 1.00 . A X . 10 LEU HD11 1 1 1 179 1 1 10 LEU HD12 H 2.344 -9.215 -6.094 1.00 . A X . 10 LEU HD12 1 1 1 180 1 1 10 LEU HD13 H 2.484 -8.483 -4.495 1.00 . A X . 10 LEU HD13 1 1 1 181 1 1 10 LEU HD21 H -1.153 -8.325 -5.302 1.00 . A X . 10 LEU HD21 1 1 1 182 1 1 10 LEU HD22 H 0.008 -8.912 -4.112 1.00 . A X . 10 LEU HD22 1 1 1 183 1 1 10 LEU HD23 H -0.065 -9.651 -5.713 1.00 . A X . 10 LEU HD23 1 1 1 184 1 1 10 LEU HG H 0.673 -7.555 -6.718 1.00 . A X . 10 LEU HG 1 1 1 185 1 1 10 LEU N N 2.886 -5.272 -5.333 1.00 . A X . 10 LEU N 1 1 1 186 1 1 10 LEU O O -0.302 -3.660 -4.917 1.00 . A X . 10 LEU O 1 1 1 187 1 1 11 ALA C C 0.456 -1.983 -2.677 1.00 . A X . 11 ALA C 1 1 1 188 1 1 11 ALA CA C 1.502 -1.797 -3.780 1.00 . A X . 11 ALA CA 1 1 1 189 1 1 11 ALA CB C 1.021 -0.775 -4.805 1.00 . A X . 11 ALA CB 1 1 1 190 1 1 11 ALA H H 2.782 -3.316 -4.521 1.00 . A X . 11 ALA H 1 1 1 191 1 1 11 ALA HA H 2.407 -1.417 -3.331 1.00 . A X . 11 ALA HA 1 1 1 192 1 1 11 ALA HB1 H 0.844 0.172 -4.315 1.00 . A X . 11 ALA HB1 1 1 1 193 1 1 11 ALA HB2 H 0.104 -1.122 -5.257 1.00 . A X . 11 ALA HB2 1 1 1 194 1 1 11 ALA HB3 H 1.775 -0.651 -5.567 1.00 . A X . 11 ALA HB3 1 1 1 195 1 1 11 ALA N N 1.833 -3.065 -4.433 1.00 . A X . 11 ALA N 1 1 1 196 1 1 11 ALA O O -0.659 -1.475 -2.778 1.00 . A X . 11 ALA O 1 1 1 197 1 1 12 PRO C C -0.792 -1.803 0.114 1.00 . A X . 12 PRO C 1 1 1 198 1 1 12 PRO CA C -0.118 -3.030 -0.500 1.00 . A X . 12 PRO CA 1 1 1 199 1 1 12 PRO CB C 0.762 -3.728 0.545 1.00 . A X . 12 PRO CB 1 1 1 200 1 1 12 PRO CD C 2.159 -3.225 -1.326 1.00 . A X . 12 PRO CD 1 1 1 201 1 1 12 PRO CG C 2.166 -3.403 0.164 1.00 . A X . 12 PRO CG 1 1 1 202 1 1 12 PRO HA H -0.881 -3.716 -0.840 1.00 . A X . 12 PRO HA 1 1 1 203 1 1 12 PRO HB2 H 0.521 -3.352 1.527 1.00 . A X . 12 PRO HB2 1 1 1 204 1 1 12 PRO HB3 H 0.583 -4.794 0.511 1.00 . A X . 12 PRO HB3 1 1 1 205 1 1 12 PRO HD2 H 2.919 -2.519 -1.624 1.00 . A X . 12 PRO HD2 1 1 1 206 1 1 12 PRO HD3 H 2.304 -4.174 -1.819 1.00 . A X . 12 PRO HD3 1 1 1 207 1 1 12 PRO HG2 H 2.479 -2.490 0.652 1.00 . A X . 12 PRO HG2 1 1 1 208 1 1 12 PRO HG3 H 2.820 -4.217 0.440 1.00 . A X . 12 PRO HG3 1 1 1 209 1 1 12 PRO N N 0.817 -2.693 -1.588 1.00 . A X . 12 PRO N 1 1 1 210 1 1 12 PRO O O -1.931 -1.876 0.572 1.00 . A X . 12 PRO O 1 1 1 211 1 1 13 LEU C C -1.844 1.021 -0.121 1.00 . A X . 13 LEU C 1 1 1 212 1 1 13 LEU CA C -0.624 0.557 0.667 1.00 . A X . 13 LEU CA 1 1 1 213 1 1 13 LEU CB C 0.447 1.651 0.681 1.00 . A X . 13 LEU CB 1 1 1 214 1 1 13 LEU CD1 C 2.673 2.492 1.468 1.00 . A X . 13 LEU CD1 1 1 1 215 1 1 13 LEU CD2 C 1.269 1.080 2.982 1.00 . A X . 13 LEU CD2 1 1 1 216 1 1 13 LEU CG C 1.678 1.346 1.540 1.00 . A X . 13 LEU CG 1 1 1 217 1 1 13 LEU H H 0.813 -0.681 -0.277 1.00 . A X . 13 LEU H 1 1 1 218 1 1 13 LEU HA H -0.928 0.352 1.682 1.00 . A X . 13 LEU HA 1 1 1 219 1 1 13 LEU HB2 H 0.778 1.814 -0.336 1.00 . A X . 13 LEU HB2 1 1 1 220 1 1 13 LEU HB3 H -0.002 2.563 1.045 1.00 . A X . 13 LEU HB3 1 1 1 221 1 1 13 LEU HD11 H 3.543 2.251 2.061 1.00 . A X . 13 LEU HD11 1 1 1 222 1 1 13 LEU HD12 H 2.214 3.392 1.853 1.00 . A X . 13 LEU HD12 1 1 1 223 1 1 13 LEU HD13 H 2.968 2.649 0.442 1.00 . A X . 13 LEU HD13 1 1 1 224 1 1 13 LEU HD21 H 2.151 0.895 3.578 1.00 . A X . 13 LEU HD21 1 1 1 225 1 1 13 LEU HD22 H 0.622 0.216 3.019 1.00 . A X . 13 LEU HD22 1 1 1 226 1 1 13 LEU HD23 H 0.745 1.940 3.373 1.00 . A X . 13 LEU HD23 1 1 1 227 1 1 13 LEU HG H 2.163 0.461 1.160 1.00 . A X . 13 LEU HG 1 1 1 228 1 1 13 LEU N N -0.088 -0.679 0.110 1.00 . A X . 13 LEU N 1 1 1 229 1 1 13 LEU O O -2.822 1.502 0.450 1.00 . A X . 13 LEU O 1 1 1 230 1 1 14 TRP C C -3.964 0.156 -2.362 1.00 . A X . 14 TRP C 1 1 1 231 1 1 14 TRP CA C -2.895 1.240 -2.296 1.00 . A X . 14 TRP CA 1 1 1 232 1 1 14 TRP CB C -2.380 1.573 -3.696 1.00 . A X . 14 TRP CB 1 1 1 233 1 1 14 TRP CD1 C -0.288 3.058 -3.705 1.00 . A X . 14 TRP CD1 1 1 1 234 1 1 14 TRP CD2 C -2.220 4.179 -3.842 1.00 . A X . 14 TRP CD2 1 1 1 235 1 1 14 TRP CE2 C -1.164 5.108 -3.847 1.00 . A X . 14 TRP CE2 1 1 1 236 1 1 14 TRP CE3 C -3.533 4.651 -3.913 1.00 . A X . 14 TRP CE3 1 1 1 237 1 1 14 TRP CG C -1.641 2.874 -3.750 1.00 . A X . 14 TRP CG 1 1 1 238 1 1 14 TRP CH2 C -2.679 6.915 -4.000 1.00 . A X . 14 TRP CH2 1 1 1 239 1 1 14 TRP CZ2 C -1.383 6.483 -3.933 1.00 . A X . 14 TRP CZ2 1 1 1 240 1 1 14 TRP CZ3 C -3.749 6.012 -3.996 1.00 . A X . 14 TRP CZ3 1 1 1 241 1 1 14 TRP H H -1.016 0.397 -1.829 1.00 . A X . 14 TRP H 1 1 1 242 1 1 14 TRP HA H -3.334 2.130 -1.869 1.00 . A X . 14 TRP HA 1 1 1 243 1 1 14 TRP HB2 H -1.709 0.791 -4.021 1.00 . A X . 14 TRP HB2 1 1 1 244 1 1 14 TRP HB3 H -3.216 1.631 -4.378 1.00 . A X . 14 TRP HB3 1 1 1 245 1 1 14 TRP HD1 H 0.433 2.258 -3.631 1.00 . A X . 14 TRP HD1 1 1 1 246 1 1 14 TRP HE1 H 0.911 4.790 -3.754 1.00 . A X . 14 TRP HE1 1 1 1 247 1 1 14 TRP HE3 H -4.372 3.972 -3.913 1.00 . A X . 14 TRP HE3 1 1 1 248 1 1 14 TRP HH2 H -2.895 7.971 -4.062 1.00 . A X . 14 TRP HH2 1 1 1 249 1 1 14 TRP HZ2 H -0.568 7.191 -3.937 1.00 . A X . 14 TRP HZ2 1 1 1 250 1 1 14 TRP HZ3 H -4.758 6.395 -4.051 1.00 . A X . 14 TRP HZ3 1 1 1 251 1 1 14 TRP N N -1.797 0.834 -1.432 1.00 . A X . 14 TRP N 1 1 1 252 1 1 14 TRP NE1 N 0.005 4.400 -3.767 1.00 . A X . 14 TRP NE1 1 1 1 253 1 1 14 TRP O O -4.932 0.267 -3.112 1.00 . A X . 14 TRP O 1 1 1 254 1 1 15 LYS C C -5.494 -1.796 -0.119 1.00 . A X . 15 LYS C 1 1 1 255 1 1 15 LYS CA C -4.780 -1.937 -1.455 1.00 . A X . 15 LYS CA 1 1 1 256 1 1 15 LYS CB C -4.141 -3.324 -1.571 1.00 . A X . 15 LYS CB 1 1 1 257 1 1 15 LYS CD C -4.444 -3.503 -4.067 1.00 . A X . 15 LYS CD 1 1 1 258 1 1 15 LYS CE C -5.471 -4.628 -4.026 1.00 . A X . 15 LYS CE 1 1 1 259 1 1 15 LYS CG C -3.460 -3.579 -2.908 1.00 . A X . 15 LYS CG 1 1 1 260 1 1 15 LYS H H -2.936 -0.977 -1.084 1.00 . A X . 15 LYS H 1 1 1 261 1 1 15 LYS HA H -5.496 -1.807 -2.253 1.00 . A X . 15 LYS HA 1 1 1 262 1 1 15 LYS HB2 H -3.404 -3.433 -0.789 1.00 . A X . 15 LYS HB2 1 1 1 263 1 1 15 LYS HB3 H -4.909 -4.070 -1.437 1.00 . A X . 15 LYS HB3 1 1 1 264 1 1 15 LYS HD2 H -4.965 -2.558 -4.016 1.00 . A X . 15 LYS HD2 1 1 1 265 1 1 15 LYS HD3 H -3.895 -3.562 -4.994 1.00 . A X . 15 LYS HD3 1 1 1 266 1 1 15 LYS HE2 H -4.949 -5.575 -4.053 1.00 . A X . 15 LYS HE2 1 1 1 267 1 1 15 LYS HE3 H -6.032 -4.554 -3.108 1.00 . A X . 15 LYS HE3 1 1 1 268 1 1 15 LYS HG2 H -2.690 -2.836 -3.054 1.00 . A X . 15 LYS HG2 1 1 1 269 1 1 15 LYS HG3 H -3.013 -4.563 -2.890 1.00 . A X . 15 LYS HG3 1 1 1 270 1 1 15 LYS HZ1 H -7.091 -5.351 -5.133 1.00 . A X . 15 LYS HZ1 1 1 1 271 1 1 15 LYS HZ2 H -5.883 -4.620 -6.077 1.00 . A X . 15 LYS HZ2 1 1 1 272 1 1 15 LYS HZ3 H -6.940 -3.662 -5.156 1.00 . A X . 15 LYS HZ3 1 1 1 273 1 1 15 LYS N N -3.776 -0.895 -1.583 1.00 . A X . 15 LYS N 1 1 1 274 1 1 15 LYS NZ N -6.411 -4.562 -5.177 1.00 . A X . 15 LYS NZ 1 1 1 275 1 1 15 LYS O O -6.693 -2.051 -0.010 1.00 . A X . 15 LYS O 1 1 1 276 1 1 16 ALA C C -6.197 0.037 2.309 1.00 . A X . 16 ALA C 1 1 1 277 1 1 16 ALA CA C -5.295 -1.189 2.230 1.00 . A X . 16 ALA CA 1 1 1 278 1 1 16 ALA CB C -4.173 -1.084 3.251 1.00 . A X . 16 ALA CB 1 1 1 279 1 1 16 ALA H H -3.797 -1.177 0.737 1.00 . A X . 16 ALA H 1 1 1 280 1 1 16 ALA HA H -5.881 -2.067 2.466 1.00 . A X . 16 ALA HA 1 1 1 281 1 1 16 ALA HB1 H -4.595 -1.006 4.241 1.00 . A X . 16 ALA HB1 1 1 1 282 1 1 16 ALA HB2 H -3.579 -0.204 3.044 1.00 . A X . 16 ALA HB2 1 1 1 283 1 1 16 ALA HB3 H -3.549 -1.962 3.194 1.00 . A X . 16 ALA HB3 1 1 1 284 1 1 16 ALA N N -4.749 -1.366 0.891 1.00 . A X . 16 ALA N 1 1 1 285 1 1 16 ALA O O -7.261 -0.008 2.922 1.00 . A X . 16 ALA O 1 1 1 286 1 1 17 LEU C C -7.706 2.236 0.681 1.00 . A X . 17 LEU C 1 1 1 287 1 1 17 LEU CA C -6.568 2.352 1.679 1.00 . A X . 17 LEU CA 1 1 1 288 1 1 17 LEU CB C -5.696 3.573 1.352 1.00 . A X . 17 LEU CB 1 1 1 289 1 1 17 LEU CD1 C -5.802 4.538 3.669 1.00 . A X . 17 LEU CD1 1 1 1 290 1 1 17 LEU CD2 C -3.819 3.166 2.998 1.00 . A X . 17 LEU CD2 1 1 1 291 1 1 17 LEU CG C -4.883 4.148 2.522 1.00 . A X . 17 LEU CG 1 1 1 292 1 1 17 LEU H H -4.932 1.108 1.184 1.00 . A X . 17 LEU H 1 1 1 293 1 1 17 LEU HA H -6.985 2.473 2.667 1.00 . A X . 17 LEU HA 1 1 1 294 1 1 17 LEU HB2 H -5.006 3.294 0.569 1.00 . A X . 17 LEU HB2 1 1 1 295 1 1 17 LEU HB3 H -6.339 4.354 0.974 1.00 . A X . 17 LEU HB3 1 1 1 296 1 1 17 LEU HD11 H -6.342 3.667 4.011 1.00 . A X . 17 LEU HD11 1 1 1 297 1 1 17 LEU HD12 H -6.503 5.286 3.329 1.00 . A X . 17 LEU HD12 1 1 1 298 1 1 17 LEU HD13 H -5.214 4.941 4.482 1.00 . A X . 17 LEU HD13 1 1 1 299 1 1 17 LEU HD21 H -3.260 3.605 3.812 1.00 . A X . 17 LEU HD21 1 1 1 300 1 1 17 LEU HD22 H -3.148 2.940 2.182 1.00 . A X . 17 LEU HD22 1 1 1 301 1 1 17 LEU HD23 H -4.293 2.256 3.336 1.00 . A X . 17 LEU HD23 1 1 1 302 1 1 17 LEU HG H -4.381 5.044 2.187 1.00 . A X . 17 LEU HG 1 1 1 303 1 1 17 LEU N N -5.781 1.127 1.673 1.00 . A X . 17 LEU N 1 1 1 304 1 1 17 LEU O O -8.726 2.920 0.793 1.00 . A X . 17 LEU O 1 1 1 305 1 1 18 ALA C C -9.727 0.351 -0.714 1.00 . A X . 18 ALA C 1 1 1 306 1 1 18 ALA CA C -8.545 1.114 -1.296 1.00 . A X . 18 ALA CA 1 1 1 307 1 1 18 ALA CB C -7.961 0.364 -2.481 1.00 . A X . 18 ALA CB 1 1 1 308 1 1 18 ALA H H -6.702 0.828 -0.315 1.00 . A X . 18 ALA H 1 1 1 309 1 1 18 ALA HA H -8.883 2.079 -1.642 1.00 . A X . 18 ALA HA 1 1 1 310 1 1 18 ALA HB1 H -8.711 0.263 -3.251 1.00 . A X . 18 ALA HB1 1 1 1 311 1 1 18 ALA HB2 H -7.637 -0.617 -2.164 1.00 . A X . 18 ALA HB2 1 1 1 312 1 1 18 ALA HB3 H -7.116 0.912 -2.874 1.00 . A X . 18 ALA HB3 1 1 1 313 1 1 18 ALA N N -7.533 1.344 -0.285 1.00 . A X . 18 ALA N 1 1 1 314 1 1 18 ALA O O -10.829 0.398 -1.253 1.00 . A X . 18 ALA O 1 1 1 315 1 1 19 LEU C C -11.654 -0.156 1.522 1.00 . A X . 19 LEU C 1 1 1 316 1 1 19 LEU CA C -10.541 -1.095 1.073 1.00 . A X . 19 LEU CA 1 1 1 317 1 1 19 LEU CB C -9.976 -1.850 2.280 1.00 . A X . 19 LEU CB 1 1 1 318 1 1 19 LEU CD1 C -8.424 -3.582 3.221 1.00 . A X . 19 LEU CD1 1 1 1 319 1 1 19 LEU CD2 C -9.585 -3.999 1.038 1.00 . A X . 19 LEU CD2 1 1 1 320 1 1 19 LEU CG C -8.962 -2.946 1.947 1.00 . A X . 19 LEU CG 1 1 1 321 1 1 19 LEU H H -8.575 -0.375 0.756 1.00 . A X . 19 LEU H 1 1 1 322 1 1 19 LEU HA H -10.946 -1.807 0.370 1.00 . A X . 19 LEU HA 1 1 1 323 1 1 19 LEU HB2 H -9.497 -1.134 2.934 1.00 . A X . 19 LEU HB2 1 1 1 324 1 1 19 LEU HB3 H -10.798 -2.303 2.813 1.00 . A X . 19 LEU HB3 1 1 1 325 1 1 19 LEU HD11 H -9.246 -3.977 3.798 1.00 . A X . 19 LEU HD11 1 1 1 326 1 1 19 LEU HD12 H -7.900 -2.837 3.802 1.00 . A X . 19 LEU HD12 1 1 1 327 1 1 19 LEU HD13 H -7.745 -4.382 2.966 1.00 . A X . 19 LEU HD13 1 1 1 328 1 1 19 LEU HD21 H -9.934 -3.531 0.128 1.00 . A X . 19 LEU HD21 1 1 1 329 1 1 19 LEU HD22 H -10.416 -4.466 1.545 1.00 . A X . 19 LEU HD22 1 1 1 330 1 1 19 LEU HD23 H -8.845 -4.750 0.794 1.00 . A X . 19 LEU HD23 1 1 1 331 1 1 19 LEU HG H -8.127 -2.505 1.424 1.00 . A X . 19 LEU HG 1 1 1 332 1 1 19 LEU N N -9.487 -0.351 0.392 1.00 . A X . 19 LEU N 1 1 1 333 1 1 19 LEU O O -12.834 -0.437 1.319 1.00 . A X . 19 LEU O 1 1 1 334 1 1 20 LYS C C -12.823 2.726 1.414 1.00 . A X . 20 LYS C 1 1 1 335 1 1 20 LYS CA C -12.251 1.942 2.585 1.00 . A X . 20 LYS CA 1 1 1 336 1 1 20 LYS CB C -11.617 2.897 3.598 1.00 . A X . 20 LYS CB 1 1 1 337 1 1 20 LYS CD C -11.949 4.773 5.231 1.00 . A X . 20 LYS CD 1 1 1 338 1 1 20 LYS CE C -12.955 5.707 5.884 1.00 . A X . 20 LYS CE 1 1 1 339 1 1 20 LYS CG C -12.614 3.856 4.222 1.00 . A X . 20 LYS CG 1 1 1 340 1 1 20 LYS H H -10.318 1.152 2.233 1.00 . A X . 20 LYS H 1 1 1 341 1 1 20 LYS HA H -13.050 1.397 3.063 1.00 . A X . 20 LYS HA 1 1 1 342 1 1 20 LYS HB2 H -11.161 2.316 4.387 1.00 . A X . 20 LYS HB2 1 1 1 343 1 1 20 LYS HB3 H -10.852 3.477 3.102 1.00 . A X . 20 LYS HB3 1 1 1 344 1 1 20 LYS HD2 H -11.482 4.172 5.997 1.00 . A X . 20 LYS HD2 1 1 1 345 1 1 20 LYS HD3 H -11.199 5.363 4.726 1.00 . A X . 20 LYS HD3 1 1 1 346 1 1 20 LYS HE2 H -13.696 5.114 6.396 1.00 . A X . 20 LYS HE2 1 1 1 347 1 1 20 LYS HE3 H -12.437 6.329 6.598 1.00 . A X . 20 LYS HE3 1 1 1 348 1 1 20 LYS HG2 H -13.057 4.458 3.443 1.00 . A X . 20 LYS HG2 1 1 1 349 1 1 20 LYS HG3 H -13.384 3.286 4.720 1.00 . A X . 20 LYS HG3 1 1 1 350 1 1 20 LYS HZ1 H -12.941 7.042 4.272 1.00 . A X . 20 LYS HZ1 1 1 1 351 1 1 20 LYS HZ2 H -14.183 7.322 5.387 1.00 . A X . 20 LYS HZ2 1 1 1 352 1 1 20 LYS HZ3 H -14.297 6.018 4.303 1.00 . A X . 20 LYS HZ3 1 1 1 353 1 1 20 LYS N N -11.273 0.971 2.112 1.00 . A X . 20 LYS N 1 1 1 354 1 1 20 LYS NZ N -13.640 6.581 4.891 1.00 . A X . 20 LYS NZ 1 1 1 355 1 1 20 LYS O O -14.011 3.042 1.391 1.00 . A X . 20 LYS O 1 1 1 356 1 1 21 LEU C C -13.425 2.982 -1.555 1.00 . A X . 21 LEU C 1 1 1 357 1 1 21 LEU CA C -12.379 3.764 -0.758 1.00 . A X . 21 LEU CA 1 1 1 358 1 1 21 LEU CB C -11.154 4.052 -1.635 1.00 . A X . 21 LEU CB 1 1 1 359 1 1 21 LEU CD1 C -11.880 6.278 -2.535 1.00 . A X . 21 LEU CD1 1 1 1 360 1 1 21 LEU CD2 C -10.164 4.930 -3.759 1.00 . A X . 21 LEU CD2 1 1 1 361 1 1 21 LEU CG C -11.417 4.875 -2.897 1.00 . A X . 21 LEU CG 1 1 1 362 1 1 21 LEU H H -11.037 2.733 0.519 1.00 . A X . 21 LEU H 1 1 1 363 1 1 21 LEU HA H -12.810 4.697 -0.438 1.00 . A X . 21 LEU HA 1 1 1 364 1 1 21 LEU HB2 H -10.429 4.581 -1.037 1.00 . A X . 21 LEU HB2 1 1 1 365 1 1 21 LEU HB3 H -10.723 3.108 -1.936 1.00 . A X . 21 LEU HB3 1 1 1 366 1 1 21 LEU HD11 H -11.128 6.756 -1.923 1.00 . A X . 21 LEU HD11 1 1 1 367 1 1 21 LEU HD12 H -12.807 6.219 -1.984 1.00 . A X . 21 LEU HD12 1 1 1 368 1 1 21 LEU HD13 H -12.030 6.854 -3.435 1.00 . A X . 21 LEU HD13 1 1 1 369 1 1 21 LEU HD21 H -9.358 5.374 -3.192 1.00 . A X . 21 LEU HD21 1 1 1 370 1 1 21 LEU HD22 H -10.356 5.528 -4.639 1.00 . A X . 21 LEU HD22 1 1 1 371 1 1 21 LEU HD23 H -9.885 3.930 -4.056 1.00 . A X . 21 LEU HD23 1 1 1 372 1 1 21 LEU HG H -12.200 4.404 -3.475 1.00 . A X . 21 LEU HG 1 1 1 373 1 1 21 LEU N N -11.972 3.020 0.435 1.00 . A X . 21 LEU N 1 1 1 374 1 1 21 LEU O O -14.255 3.560 -2.257 1.00 . A X . 21 LEU O 1 1 1 375 1 1 22 LYS C C -15.629 0.688 -1.396 1.00 . A X . 22 LYS C 1 1 1 376 1 1 22 LYS CA C -14.288 0.772 -2.129 1.00 . A X . 22 LYS CA 1 1 1 377 1 1 22 LYS CB C -13.650 -0.619 -2.234 1.00 . A X . 22 LYS CB 1 1 1 378 1 1 22 LYS CD C -13.732 -2.961 -3.119 1.00 . A X . 22 LYS CD 1 1 1 379 1 1 22 LYS CE C -14.475 -3.953 -3.994 1.00 . A X . 22 LYS CE 1 1 1 380 1 1 22 LYS CG C -14.424 -1.609 -3.088 1.00 . A X . 22 LYS CG 1 1 1 381 1 1 22 LYS H H -12.682 1.273 -0.853 1.00 . A X . 22 LYS H 1 1 1 382 1 1 22 LYS HA H -14.449 1.165 -3.122 1.00 . A X . 22 LYS HA 1 1 1 383 1 1 22 LYS HB2 H -12.661 -0.516 -2.657 1.00 . A X . 22 LYS HB2 1 1 1 384 1 1 22 LYS HB3 H -13.561 -1.031 -1.239 1.00 . A X . 22 LYS HB3 1 1 1 385 1 1 22 LYS HD2 H -12.732 -2.833 -3.505 1.00 . A X . 22 LYS HD2 1 1 1 386 1 1 22 LYS HD3 H -13.683 -3.349 -2.111 1.00 . A X . 22 LYS HD3 1 1 1 387 1 1 22 LYS HE2 H -13.974 -4.909 -3.936 1.00 . A X . 22 LYS HE2 1 1 1 388 1 1 22 LYS HE3 H -15.484 -4.055 -3.626 1.00 . A X . 22 LYS HE3 1 1 1 389 1 1 22 LYS HG2 H -15.414 -1.731 -2.676 1.00 . A X . 22 LYS HG2 1 1 1 390 1 1 22 LYS HG3 H -14.493 -1.225 -4.096 1.00 . A X . 22 LYS HG3 1 1 1 391 1 1 22 LYS HZ1 H -15.047 -2.627 -5.506 1.00 . A X . 22 LYS HZ1 1 1 1 392 1 1 22 LYS HZ2 H -14.987 -4.251 -5.995 1.00 . A X . 22 LYS HZ2 1 1 1 393 1 1 22 LYS HZ3 H -13.550 -3.378 -5.778 1.00 . A X . 22 LYS HZ3 1 1 1 394 1 1 22 LYS N N -13.371 1.664 -1.429 1.00 . A X . 22 LYS N 1 1 1 395 1 1 22 LYS NZ N -14.520 -3.520 -5.415 1.00 . A X . 22 LYS NZ 1 1 1 396 1 1 22 LYS O O -16.615 0.170 -1.928 1.00 . A X . 22 LYS O 1 1 1 397 1 1 23 LYS C C -17.472 2.538 0.805 1.00 . A X . 23 LYS C 1 1 1 398 1 1 23 LYS CA C -16.851 1.152 0.656 1.00 . A X . 23 LYS CA 1 1 1 399 1 1 23 LYS CB C -16.510 0.582 2.038 1.00 . A X . 23 LYS CB 1 1 1 400 1 1 23 LYS CD C -17.252 0.135 4.389 1.00 . A X . 23 LYS CD 1 1 1 401 1 1 23 LYS CE C -18.425 0.074 5.352 1.00 . A X . 23 LYS CE 1 1 1 402 1 1 23 LYS CG C -17.693 0.528 2.992 1.00 . A X . 23 LYS CG 1 1 1 403 1 1 23 LYS H H -14.856 1.641 0.175 1.00 . A X . 23 LYS H 1 1 1 404 1 1 23 LYS HA H -17.560 0.501 0.172 1.00 . A X . 23 LYS HA 1 1 1 405 1 1 23 LYS HB2 H -16.132 -0.421 1.916 1.00 . A X . 23 LYS HB2 1 1 1 406 1 1 23 LYS HB3 H -15.744 1.196 2.487 1.00 . A X . 23 LYS HB3 1 1 1 407 1 1 23 LYS HD2 H -16.783 -0.837 4.346 1.00 . A X . 23 LYS HD2 1 1 1 408 1 1 23 LYS HD3 H -16.538 0.863 4.749 1.00 . A X . 23 LYS HD3 1 1 1 409 1 1 23 LYS HE2 H -18.936 1.026 5.339 1.00 . A X . 23 LYS HE2 1 1 1 410 1 1 23 LYS HE3 H -19.102 -0.702 5.026 1.00 . A X . 23 LYS HE3 1 1 1 411 1 1 23 LYS HG2 H -18.158 1.502 3.032 1.00 . A X . 23 LYS HG2 1 1 1 412 1 1 23 LYS HG3 H -18.406 -0.200 2.631 1.00 . A X . 23 LYS HG3 1 1 1 413 1 1 23 LYS HZ1 H -17.377 -1.069 6.754 1.00 . A X . 23 LYS HZ1 1 1 1 414 1 1 23 LYS HZ2 H -18.810 -0.389 7.354 1.00 . A X . 23 LYS HZ2 1 1 1 415 1 1 23 LYS HZ3 H -17.441 0.586 7.124 1.00 . A X . 23 LYS HZ3 1 1 1 416 1 1 23 LYS N N -15.657 1.202 -0.175 1.00 . A X . 23 LYS N 1 1 1 417 1 1 23 LYS NZ N -17.984 -0.218 6.740 1.00 . A X . 23 LYS NZ 1 1 1 418 1 1 23 LYS O O -18.553 2.802 0.275 1.00 . A X . 23 LYS O 1 1 1 419 1 1 24 ALA C C -16.186 5.580 2.482 1.00 . A X . 24 ALA C 1 1 1 420 1 1 24 ALA CA C -17.276 4.754 1.813 1.00 . A X . 24 ALA CA 1 1 1 421 1 1 24 ALA CB C -18.515 4.686 2.700 1.00 . A X . 24 ALA CB 1 1 1 422 1 1 24 ALA H H -15.885 3.169 1.848 1.00 . A X . 24 ALA H 1 1 1 423 1 1 24 ALA HA H -17.550 5.226 0.878 1.00 . A X . 24 ALA HA 1 1 1 424 1 1 24 ALA HB1 H -19.271 4.087 2.214 1.00 . A X . 24 ALA HB1 1 1 1 425 1 1 24 ALA HB2 H -18.896 5.682 2.865 1.00 . A X . 24 ALA HB2 1 1 1 426 1 1 24 ALA HB3 H -18.256 4.237 3.647 1.00 . A X . 24 ALA HB3 1 1 1 427 1 1 24 ALA N N -16.778 3.419 1.518 1.00 . A X . 24 ALA N 1 1 1 428 1 1 24 ALA O O -15.867 5.310 3.664 1.00 . A X . 24 ALA O 1 1 1 429 1 1 24 ALA OXT O -15.653 6.497 1.835 1.00 . A X . 24 ALA OXT 1 1 2 430 1 1 1 LYS C C 7.710 1.175 10.889 1.00 . A X . 1 LYS C 1 1 2 431 1 1 1 LYS CA C 7.657 -0.300 11.279 1.00 . A X . 1 LYS CA 1 1 2 432 1 1 1 LYS CB C 6.214 -0.828 11.235 1.00 . A X . 1 LYS CB 1 1 2 433 1 1 1 LYS CD C 3.935 -0.917 12.319 1.00 . A X . 1 LYS CD 1 1 2 434 1 1 1 LYS CE C 3.937 -2.427 12.477 1.00 . A X . 1 LYS CE 1 1 2 435 1 1 1 LYS CG C 5.341 -0.343 12.384 1.00 . A X . 1 LYS CG 1 1 2 436 1 1 1 LYS H1 H 9.252 -0.253 12.629 1.00 . A X . 1 LYS H1 1 1 2 437 1 1 1 LYS H2 H 8.143 -1.506 12.910 1.00 . A X . 1 LYS H2 1 1 2 438 1 1 1 LYS H3 H 7.744 0.088 13.327 1.00 . A X . 1 LYS H3 1 1 2 439 1 1 1 LYS HA H 8.254 -0.856 10.567 1.00 . A X . 1 LYS HA 1 1 2 440 1 1 1 LYS HB2 H 5.756 -0.514 10.308 1.00 . A X . 1 LYS HB2 1 1 2 441 1 1 1 LYS HB3 H 6.240 -1.906 11.264 1.00 . A X . 1 LYS HB3 1 1 2 442 1 1 1 LYS HD2 H 3.342 -0.484 13.111 1.00 . A X . 1 LYS HD2 1 1 2 443 1 1 1 LYS HD3 H 3.498 -0.664 11.363 1.00 . A X . 1 LYS HD3 1 1 2 444 1 1 1 LYS HE2 H 4.515 -2.860 11.675 1.00 . A X . 1 LYS HE2 1 1 2 445 1 1 1 LYS HE3 H 4.394 -2.676 13.424 1.00 . A X . 1 LYS HE3 1 1 2 446 1 1 1 LYS HG2 H 5.793 -0.640 13.317 1.00 . A X . 1 LYS HG2 1 1 2 447 1 1 1 LYS HG3 H 5.280 0.736 12.343 1.00 . A X . 1 LYS HG3 1 1 2 448 1 1 1 LYS HZ1 H 2.594 -4.028 12.484 1.00 . A X . 1 LYS HZ1 1 1 2 449 1 1 1 LYS HZ2 H 2.080 -2.698 11.560 1.00 . A X . 1 LYS HZ2 1 1 2 450 1 1 1 LYS HZ3 H 2.010 -2.630 13.251 1.00 . A X . 1 LYS HZ3 1 1 2 451 1 1 1 LYS N N 8.239 -0.508 12.624 1.00 . A X . 1 LYS N 1 1 2 452 1 1 1 LYS NZ N 2.562 -2.985 12.439 1.00 . A X . 1 LYS NZ 1 1 2 453 1 1 1 LYS O O 6.755 1.926 11.076 1.00 . A X . 1 LYS O 1 1 2 454 1 1 2 LYS C C 9.737 2.986 8.561 1.00 . A X . 2 LYS C 1 1 2 455 1 1 2 LYS CA C 9.030 2.958 9.907 1.00 . A X . 2 LYS CA 1 1 2 456 1 1 2 LYS CB C 9.839 3.744 10.945 1.00 . A X . 2 LYS CB 1 1 2 457 1 1 2 LYS CD C 11.940 3.904 12.321 1.00 . A X . 2 LYS CD 1 1 2 458 1 1 2 LYS CE C 13.226 3.201 12.714 1.00 . A X . 2 LYS CE 1 1 2 459 1 1 2 LYS CG C 11.199 3.134 11.239 1.00 . A X . 2 LYS CG 1 1 2 460 1 1 2 LYS H H 9.575 0.945 10.220 1.00 . A X . 2 LYS H 1 1 2 461 1 1 2 LYS HA H 8.055 3.410 9.803 1.00 . A X . 2 LYS HA 1 1 2 462 1 1 2 LYS HB2 H 9.992 4.750 10.580 1.00 . A X . 2 LYS HB2 1 1 2 463 1 1 2 LYS HB3 H 9.278 3.785 11.867 1.00 . A X . 2 LYS HB3 1 1 2 464 1 1 2 LYS HD2 H 12.178 4.891 11.950 1.00 . A X . 2 LYS HD2 1 1 2 465 1 1 2 LYS HD3 H 11.303 3.987 13.190 1.00 . A X . 2 LYS HD3 1 1 2 466 1 1 2 LYS HE2 H 12.997 2.183 12.992 1.00 . A X . 2 LYS HE2 1 1 2 467 1 1 2 LYS HE3 H 13.893 3.198 11.864 1.00 . A X . 2 LYS HE3 1 1 2 468 1 1 2 LYS HG2 H 11.058 2.115 11.570 1.00 . A X . 2 LYS HG2 1 1 2 469 1 1 2 LYS HG3 H 11.788 3.142 10.335 1.00 . A X . 2 LYS HG3 1 1 2 470 1 1 2 LYS HZ1 H 13.210 4.103 14.598 1.00 . A X . 2 LYS HZ1 1 1 2 471 1 1 2 LYS HZ2 H 14.373 4.744 13.538 1.00 . A X . 2 LYS HZ2 1 1 2 472 1 1 2 LYS HZ3 H 14.626 3.234 14.261 1.00 . A X . 2 LYS HZ3 1 1 2 473 1 1 2 LYS N N 8.843 1.584 10.343 1.00 . A X . 2 LYS N 1 1 2 474 1 1 2 LYS NZ N 13.903 3.869 13.855 1.00 . A X . 2 LYS NZ 1 1 2 475 1 1 2 LYS O O 10.286 1.968 8.126 1.00 . A X . 2 LYS O 1 1 2 476 1 1 3 LEU C C 9.883 3.377 5.563 1.00 . A X . 3 LEU C 1 1 2 477 1 1 3 LEU CA C 10.384 4.350 6.633 1.00 . A X . 3 LEU CA 1 1 2 478 1 1 3 LEU CB C 11.903 4.226 6.806 1.00 . A X . 3 LEU CB 1 1 2 479 1 1 3 LEU CD1 C 14.007 4.885 8.000 1.00 . A X . 3 LEU CD1 1 1 2 480 1 1 3 LEU CD2 C 12.349 6.638 7.342 1.00 . A X . 3 LEU CD2 1 1 2 481 1 1 3 LEU CG C 12.531 5.201 7.808 1.00 . A X . 3 LEU CG 1 1 2 482 1 1 3 LEU H H 9.186 4.883 8.291 1.00 . A X . 3 LEU H 1 1 2 483 1 1 3 LEU HA H 10.156 5.353 6.307 1.00 . A X . 3 LEU HA 1 1 2 484 1 1 3 LEU HB2 H 12.125 3.220 7.128 1.00 . A X . 3 LEU HB2 1 1 2 485 1 1 3 LEU HB3 H 12.367 4.387 5.844 1.00 . A X . 3 LEU HB3 1 1 2 486 1 1 3 LEU HD11 H 14.518 4.958 7.050 1.00 . A X . 3 LEU HD11 1 1 2 487 1 1 3 LEU HD12 H 14.113 3.883 8.389 1.00 . A X . 3 LEU HD12 1 1 2 488 1 1 3 LEU HD13 H 14.440 5.589 8.695 1.00 . A X . 3 LEU HD13 1 1 2 489 1 1 3 LEU HD21 H 12.824 6.769 6.380 1.00 . A X . 3 LEU HD21 1 1 2 490 1 1 3 LEU HD22 H 12.798 7.309 8.058 1.00 . A X . 3 LEU HD22 1 1 2 491 1 1 3 LEU HD23 H 11.294 6.858 7.256 1.00 . A X . 3 LEU HD23 1 1 2 492 1 1 3 LEU HG H 12.039 5.093 8.764 1.00 . A X . 3 LEU HG 1 1 2 493 1 1 3 LEU N N 9.701 4.141 7.908 1.00 . A X . 3 LEU N 1 1 2 494 1 1 3 LEU O O 8.790 3.549 5.020 1.00 . A X . 3 LEU O 1 1 2 495 1 1 4 LYS C C 9.661 0.135 4.809 1.00 . A X . 4 LYS C 1 1 2 496 1 1 4 LYS CA C 10.318 1.390 4.238 1.00 . A X . 4 LYS CA 1 1 2 497 1 1 4 LYS CB C 11.555 1.014 3.413 1.00 . A X . 4 LYS CB 1 1 2 498 1 1 4 LYS CD C 13.799 -0.092 3.312 1.00 . A X . 4 LYS CD 1 1 2 499 1 1 4 LYS CE C 14.884 -0.820 4.090 1.00 . A X . 4 LYS CE 1 1 2 500 1 1 4 LYS CG C 12.631 0.298 4.204 1.00 . A X . 4 LYS CG 1 1 2 501 1 1 4 LYS H H 11.484 2.202 5.811 1.00 . A X . 4 LYS H 1 1 2 502 1 1 4 LYS HA H 9.607 1.879 3.588 1.00 . A X . 4 LYS HA 1 1 2 503 1 1 4 LYS HB2 H 11.248 0.368 2.605 1.00 . A X . 4 LYS HB2 1 1 2 504 1 1 4 LYS HB3 H 11.984 1.913 2.997 1.00 . A X . 4 LYS HB3 1 1 2 505 1 1 4 LYS HD2 H 13.439 -0.739 2.526 1.00 . A X . 4 LYS HD2 1 1 2 506 1 1 4 LYS HD3 H 14.221 0.803 2.876 1.00 . A X . 4 LYS HD3 1 1 2 507 1 1 4 LYS HE2 H 14.445 -1.677 4.577 1.00 . A X . 4 LYS HE2 1 1 2 508 1 1 4 LYS HE3 H 15.643 -1.152 3.396 1.00 . A X . 4 LYS HE3 1 1 2 509 1 1 4 LYS HG2 H 12.987 0.954 4.985 1.00 . A X . 4 LYS HG2 1 1 2 510 1 1 4 LYS HG3 H 12.209 -0.593 4.641 1.00 . A X . 4 LYS HG3 1 1 2 511 1 1 4 LYS HZ1 H 14.811 0.351 5.822 1.00 . A X . 4 LYS HZ1 1 1 2 512 1 1 4 LYS HZ2 H 15.927 0.893 4.667 1.00 . A X . 4 LYS HZ2 1 1 2 513 1 1 4 LYS HZ3 H 16.280 -0.472 5.608 1.00 . A X . 4 LYS HZ3 1 1 2 514 1 1 4 LYS N N 10.661 2.334 5.292 1.00 . A X . 4 LYS N 1 1 2 515 1 1 4 LYS NZ N 15.518 0.047 5.118 1.00 . A X . 4 LYS NZ 1 1 2 516 1 1 4 LYS O O 9.238 -0.751 4.064 1.00 . A X . 4 LYS O 1 1 2 517 1 1 5 LEU C C 7.404 -0.985 6.644 1.00 . A X . 5 LEU C 1 1 2 518 1 1 5 LEU CA C 8.918 -1.083 6.773 1.00 . A X . 5 LEU CA 1 1 2 519 1 1 5 LEU CB C 9.326 -1.174 8.245 1.00 . A X . 5 LEU CB 1 1 2 520 1 1 5 LEU CD1 C 11.109 -1.438 9.989 1.00 . A X . 5 LEU CD1 1 1 2 521 1 1 5 LEU CD2 C 11.287 -2.678 7.826 1.00 . A X . 5 LEU CD2 1 1 2 522 1 1 5 LEU CG C 10.820 -1.396 8.496 1.00 . A X . 5 LEU CG 1 1 2 523 1 1 5 LEU H H 9.898 0.797 6.691 1.00 . A X . 5 LEU H 1 1 2 524 1 1 5 LEU HA H 9.250 -1.973 6.258 1.00 . A X . 5 LEU HA 1 1 2 525 1 1 5 LEU HB2 H 9.034 -0.255 8.733 1.00 . A X . 5 LEU HB2 1 1 2 526 1 1 5 LEU HB3 H 8.783 -1.991 8.698 1.00 . A X . 5 LEU HB3 1 1 2 527 1 1 5 LEU HD11 H 10.805 -0.506 10.441 1.00 . A X . 5 LEU HD11 1 1 2 528 1 1 5 LEU HD12 H 12.167 -1.587 10.147 1.00 . A X . 5 LEU HD12 1 1 2 529 1 1 5 LEU HD13 H 10.559 -2.251 10.439 1.00 . A X . 5 LEU HD13 1 1 2 530 1 1 5 LEU HD21 H 10.737 -3.515 8.228 1.00 . A X . 5 LEU HD21 1 1 2 531 1 1 5 LEU HD22 H 12.342 -2.818 8.008 1.00 . A X . 5 LEU HD22 1 1 2 532 1 1 5 LEU HD23 H 11.113 -2.610 6.761 1.00 . A X . 5 LEU HD23 1 1 2 533 1 1 5 LEU HG H 11.379 -0.573 8.072 1.00 . A X . 5 LEU HG 1 1 2 534 1 1 5 LEU N N 9.551 0.062 6.132 1.00 . A X . 5 LEU N 1 1 2 535 1 1 5 LEU O O 6.683 -1.942 6.910 1.00 . A X . 5 LEU O 1 1 2 536 1 1 6 ALA C C 5.305 0.556 4.464 1.00 . A X . 6 ALA C 1 1 2 537 1 1 6 ALA CA C 5.523 0.385 5.960 1.00 . A X . 6 ALA CA 1 1 2 538 1 1 6 ALA CB C 4.998 1.593 6.725 1.00 . A X . 6 ALA CB 1 1 2 539 1 1 6 ALA H H 7.558 0.929 6.111 1.00 . A X . 6 ALA H 1 1 2 540 1 1 6 ALA HA H 4.989 -0.491 6.298 1.00 . A X . 6 ALA HA 1 1 2 541 1 1 6 ALA HB1 H 5.502 2.484 6.381 1.00 . A X . 6 ALA HB1 1 1 2 542 1 1 6 ALA HB2 H 5.184 1.458 7.779 1.00 . A X . 6 ALA HB2 1 1 2 543 1 1 6 ALA HB3 H 3.935 1.691 6.556 1.00 . A X . 6 ALA HB3 1 1 2 544 1 1 6 ALA N N 6.937 0.183 6.233 1.00 . A X . 6 ALA N 1 1 2 545 1 1 6 ALA O O 4.233 0.963 4.017 1.00 . A X . 6 ALA O 1 1 2 546 1 1 7 LEU C C 6.160 -0.954 1.550 1.00 . A X . 7 LEU C 1 1 2 547 1 1 7 LEU CA C 6.296 0.395 2.247 1.00 . A X . 7 LEU CA 1 1 2 548 1 1 7 LEU CB C 7.558 1.118 1.760 1.00 . A X . 7 LEU CB 1 1 2 549 1 1 7 LEU CD1 C 6.563 2.210 -0.267 1.00 . A X . 7 LEU CD1 1 1 2 550 1 1 7 LEU CD2 C 9.030 1.846 -0.131 1.00 . A X . 7 LEU CD2 1 1 2 551 1 1 7 LEU CG C 7.664 1.298 0.244 1.00 . A X . 7 LEU CG 1 1 2 552 1 1 7 LEU H H 7.147 -0.132 4.112 1.00 . A X . 7 LEU H 1 1 2 553 1 1 7 LEU HA H 5.434 0.999 2.006 1.00 . A X . 7 LEU HA 1 1 2 554 1 1 7 LEU HB2 H 7.588 2.095 2.221 1.00 . A X . 7 LEU HB2 1 1 2 555 1 1 7 LEU HB3 H 8.418 0.558 2.092 1.00 . A X . 7 LEU HB3 1 1 2 556 1 1 7 LEU HD11 H 6.644 2.303 -1.340 1.00 . A X . 7 LEU HD11 1 1 2 557 1 1 7 LEU HD12 H 6.663 3.186 0.186 1.00 . A X . 7 LEU HD12 1 1 2 558 1 1 7 LEU HD13 H 5.601 1.792 -0.013 1.00 . A X . 7 LEU HD13 1 1 2 559 1 1 7 LEU HD21 H 9.081 1.978 -1.201 1.00 . A X . 7 LEU HD21 1 1 2 560 1 1 7 LEU HD22 H 9.796 1.151 0.182 1.00 . A X . 7 LEU HD22 1 1 2 561 1 1 7 LEU HD23 H 9.184 2.797 0.357 1.00 . A X . 7 LEU HD23 1 1 2 562 1 1 7 LEU HG H 7.548 0.336 -0.233 1.00 . A X . 7 LEU HG 1 1 2 563 1 1 7 LEU N N 6.337 0.231 3.693 1.00 . A X . 7 LEU N 1 1 2 564 1 1 7 LEU O O 5.058 -1.385 1.226 1.00 . A X . 7 LEU O 1 1 2 565 1 1 8 ALA C C 6.913 -4.063 1.527 1.00 . A X . 8 ALA C 1 1 2 566 1 1 8 ALA CA C 7.312 -2.896 0.634 1.00 . A X . 8 ALA CA 1 1 2 567 1 1 8 ALA CB C 8.694 -3.123 0.048 1.00 . A X . 8 ALA CB 1 1 2 568 1 1 8 ALA H H 8.124 -1.282 1.732 1.00 . A X . 8 ALA H 1 1 2 569 1 1 8 ALA HA H 6.610 -2.822 -0.183 1.00 . A X . 8 ALA HA 1 1 2 570 1 1 8 ALA HB1 H 8.956 -2.289 -0.589 1.00 . A X . 8 ALA HB1 1 1 2 571 1 1 8 ALA HB2 H 8.693 -4.033 -0.532 1.00 . A X . 8 ALA HB2 1 1 2 572 1 1 8 ALA HB3 H 9.415 -3.205 0.848 1.00 . A X . 8 ALA HB3 1 1 2 573 1 1 8 ALA N N 7.286 -1.637 1.367 1.00 . A X . 8 ALA N 1 1 2 574 1 1 8 ALA O O 6.900 -5.216 1.095 1.00 . A X . 8 ALA O 1 1 2 575 1 1 9 LYS C C 4.726 -4.634 4.084 1.00 . A X . 9 LYS C 1 1 2 576 1 1 9 LYS CA C 6.210 -4.755 3.745 1.00 . A X . 9 LYS CA 1 1 2 577 1 1 9 LYS CB C 7.066 -4.585 5.006 1.00 . A X . 9 LYS CB 1 1 2 578 1 1 9 LYS CD C 7.925 -5.558 7.153 1.00 . A X . 9 LYS CD 1 1 2 579 1 1 9 LYS CE C 8.193 -6.847 7.907 1.00 . A X . 9 LYS CE 1 1 2 580 1 1 9 LYS CG C 7.107 -5.811 5.899 1.00 . A X . 9 LYS CG 1 1 2 581 1 1 9 LYS H H 6.571 -2.809 3.031 1.00 . A X . 9 LYS H 1 1 2 582 1 1 9 LYS HA H 6.396 -5.723 3.311 1.00 . A X . 9 LYS HA 1 1 2 583 1 1 9 LYS HB2 H 8.078 -4.354 4.707 1.00 . A X . 9 LYS HB2 1 1 2 584 1 1 9 LYS HB3 H 6.675 -3.758 5.583 1.00 . A X . 9 LYS HB3 1 1 2 585 1 1 9 LYS HD2 H 8.868 -5.113 6.874 1.00 . A X . 9 LYS HD2 1 1 2 586 1 1 9 LYS HD3 H 7.380 -4.882 7.796 1.00 . A X . 9 LYS HD3 1 1 2 587 1 1 9 LYS HE2 H 8.692 -6.610 8.835 1.00 . A X . 9 LYS HE2 1 1 2 588 1 1 9 LYS HE3 H 7.250 -7.331 8.117 1.00 . A X . 9 LYS HE3 1 1 2 589 1 1 9 LYS HG2 H 6.098 -6.070 6.188 1.00 . A X . 9 LYS HG2 1 1 2 590 1 1 9 LYS HG3 H 7.548 -6.631 5.351 1.00 . A X . 9 LYS HG3 1 1 2 591 1 1 9 LYS HZ1 H 9.976 -7.330 6.934 1.00 . A X . 9 LYS HZ1 1 1 2 592 1 1 9 LYS HZ2 H 8.594 -7.991 6.206 1.00 . A X . 9 LYS HZ2 1 1 2 593 1 1 9 LYS HZ3 H 9.193 -8.663 7.642 1.00 . A X . 9 LYS HZ3 1 1 2 594 1 1 9 LYS N N 6.576 -3.748 2.768 1.00 . A X . 9 LYS N 1 1 2 595 1 1 9 LYS NZ N 9.048 -7.772 7.119 1.00 . A X . 9 LYS NZ 1 1 2 596 1 1 9 LYS O O 4.241 -5.218 5.056 1.00 . A X . 9 LYS O 1 1 2 597 1 1 10 LEU C C 1.890 -3.165 2.237 1.00 . A X . 10 LEU C 1 1 2 598 1 1 10 LEU CA C 2.597 -3.604 3.517 1.00 . A X . 10 LEU CA 1 1 2 599 1 1 10 LEU CB C 2.463 -2.513 4.583 1.00 . A X . 10 LEU CB 1 1 2 600 1 1 10 LEU CD1 C 0.330 -3.361 5.601 1.00 . A X . 10 LEU CD1 1 1 2 601 1 1 10 LEU CD2 C 1.021 -0.981 5.948 1.00 . A X . 10 LEU CD2 1 1 2 602 1 1 10 LEU CG C 1.028 -2.158 4.984 1.00 . A X . 10 LEU CG 1 1 2 603 1 1 10 LEU H H 4.429 -3.502 2.466 1.00 . A X . 10 LEU H 1 1 2 604 1 1 10 LEU HA H 2.141 -4.512 3.880 1.00 . A X . 10 LEU HA 1 1 2 605 1 1 10 LEU HB2 H 2.991 -2.838 5.468 1.00 . A X . 10 LEU HB2 1 1 2 606 1 1 10 LEU HB3 H 2.938 -1.619 4.210 1.00 . A X . 10 LEU HB3 1 1 2 607 1 1 10 LEU HD11 H 0.305 -4.168 4.884 1.00 . A X . 10 LEU HD11 1 1 2 608 1 1 10 LEU HD12 H -0.682 -3.090 5.876 1.00 . A X . 10 LEU HD12 1 1 2 609 1 1 10 LEU HD13 H 0.869 -3.677 6.480 1.00 . A X . 10 LEU HD13 1 1 2 610 1 1 10 LEU HD21 H 1.475 -0.123 5.474 1.00 . A X . 10 LEU HD21 1 1 2 611 1 1 10 LEU HD22 H 1.580 -1.241 6.836 1.00 . A X . 10 LEU HD22 1 1 2 612 1 1 10 LEU HD23 H 0.002 -0.743 6.221 1.00 . A X . 10 LEU HD23 1 1 2 613 1 1 10 LEU HG H 0.476 -1.869 4.101 1.00 . A X . 10 LEU HG 1 1 2 614 1 1 10 LEU N N 4.005 -3.875 3.266 1.00 . A X . 10 LEU N 1 1 2 615 1 1 10 LEU O O 0.864 -3.738 1.868 1.00 . A X . 10 LEU O 1 1 2 616 1 1 11 ALA C C 0.454 -0.997 0.709 1.00 . A X . 11 ALA C 1 1 2 617 1 1 11 ALA CA C 1.833 -1.574 0.372 1.00 . A X . 11 ALA CA 1 1 2 618 1 1 11 ALA CB C 1.739 -2.588 -0.763 1.00 . A X . 11 ALA CB 1 1 2 619 1 1 11 ALA H H 3.324 -1.820 1.859 1.00 . A X . 11 ALA H 1 1 2 620 1 1 11 ALA HA H 2.471 -0.764 0.044 1.00 . A X . 11 ALA HA 1 1 2 621 1 1 11 ALA HB1 H 1.349 -2.105 -1.648 1.00 . A X . 11 ALA HB1 1 1 2 622 1 1 11 ALA HB2 H 1.080 -3.393 -0.472 1.00 . A X . 11 ALA HB2 1 1 2 623 1 1 11 ALA HB3 H 2.722 -2.986 -0.972 1.00 . A X . 11 ALA HB3 1 1 2 624 1 1 11 ALA N N 2.454 -2.169 1.557 1.00 . A X . 11 ALA N 1 1 2 625 1 1 11 ALA O O -0.583 -1.538 0.311 1.00 . A X . 11 ALA O 1 1 2 626 1 1 12 PRO C C -1.608 1.378 0.790 1.00 . A X . 12 PRO C 1 1 2 627 1 1 12 PRO CA C -0.802 0.753 1.922 1.00 . A X . 12 PRO CA 1 1 2 628 1 1 12 PRO CB C -0.317 1.839 2.893 1.00 . A X . 12 PRO CB 1 1 2 629 1 1 12 PRO CD C 1.619 0.875 1.882 1.00 . A X . 12 PRO CD 1 1 2 630 1 1 12 PRO CG C 1.128 1.552 3.126 1.00 . A X . 12 PRO CG 1 1 2 631 1 1 12 PRO HA H -1.424 0.048 2.454 1.00 . A X . 12 PRO HA 1 1 2 632 1 1 12 PRO HB2 H -0.458 2.811 2.444 1.00 . A X . 12 PRO HB2 1 1 2 633 1 1 12 PRO HB3 H -0.881 1.778 3.811 1.00 . A X . 12 PRO HB3 1 1 2 634 1 1 12 PRO HD2 H 1.914 1.605 1.140 1.00 . A X . 12 PRO HD2 1 1 2 635 1 1 12 PRO HD3 H 2.438 0.209 2.109 1.00 . A X . 12 PRO HD3 1 1 2 636 1 1 12 PRO HG2 H 1.666 2.477 3.285 1.00 . A X . 12 PRO HG2 1 1 2 637 1 1 12 PRO HG3 H 1.240 0.899 3.978 1.00 . A X . 12 PRO HG3 1 1 2 638 1 1 12 PRO N N 0.435 0.123 1.448 1.00 . A X . 12 PRO N 1 1 2 639 1 1 12 PRO O O -2.818 1.561 0.904 1.00 . A X . 12 PRO O 1 1 2 640 1 1 13 LEU C C -2.412 1.230 -2.223 1.00 . A X . 13 LEU C 1 1 2 641 1 1 13 LEU CA C -1.581 2.273 -1.477 1.00 . A X . 13 LEU CA 1 1 2 642 1 1 13 LEU CB C -0.552 2.917 -2.424 1.00 . A X . 13 LEU CB 1 1 2 643 1 1 13 LEU CD1 C 1.117 2.700 -4.281 1.00 . A X . 13 LEU CD1 1 1 2 644 1 1 13 LEU CD2 C 1.407 1.332 -2.220 1.00 . A X . 13 LEU CD2 1 1 2 645 1 1 13 LEU CG C 0.392 1.957 -3.167 1.00 . A X . 13 LEU CG 1 1 2 646 1 1 13 LEU H H 0.032 1.492 -0.343 1.00 . A X . 13 LEU H 1 1 2 647 1 1 13 LEU HA H -2.248 3.042 -1.116 1.00 . A X . 13 LEU HA 1 1 2 648 1 1 13 LEU HB2 H -1.093 3.490 -3.162 1.00 . A X . 13 LEU HB2 1 1 2 649 1 1 13 LEU HB3 H 0.053 3.598 -1.844 1.00 . A X . 13 LEU HB3 1 1 2 650 1 1 13 LEU HD11 H 1.682 3.519 -3.860 1.00 . A X . 13 LEU HD11 1 1 2 651 1 1 13 LEU HD12 H 0.396 3.086 -4.986 1.00 . A X . 13 LEU HD12 1 1 2 652 1 1 13 LEU HD13 H 1.789 2.024 -4.787 1.00 . A X . 13 LEU HD13 1 1 2 653 1 1 13 LEU HD21 H 0.889 0.824 -1.421 1.00 . A X . 13 LEU HD21 1 1 2 654 1 1 13 LEU HD22 H 2.039 2.103 -1.807 1.00 . A X . 13 LEU HD22 1 1 2 655 1 1 13 LEU HD23 H 2.014 0.622 -2.763 1.00 . A X . 13 LEU HD23 1 1 2 656 1 1 13 LEU HG H -0.188 1.163 -3.616 1.00 . A X . 13 LEU HG 1 1 2 657 1 1 13 LEU N N -0.931 1.677 -0.314 1.00 . A X . 13 LEU N 1 1 2 658 1 1 13 LEU O O -3.061 1.532 -3.225 1.00 . A X . 13 LEU O 1 1 2 659 1 1 14 TRP C C -4.135 -1.636 -1.230 1.00 . A X . 14 TRP C 1 1 2 660 1 1 14 TRP CA C -3.199 -1.064 -2.288 1.00 . A X . 14 TRP CA 1 1 2 661 1 1 14 TRP CB C -2.310 -2.179 -2.857 1.00 . A X . 14 TRP CB 1 1 2 662 1 1 14 TRP CD1 C -3.503 -4.452 -2.783 1.00 . A X . 14 TRP CD1 1 1 2 663 1 1 14 TRP CD2 C -3.524 -3.470 -4.793 1.00 . A X . 14 TRP CD2 1 1 2 664 1 1 14 TRP CE2 C -4.205 -4.696 -4.883 1.00 . A X . 14 TRP CE2 1 1 2 665 1 1 14 TRP CE3 C -3.412 -2.677 -5.935 1.00 . A X . 14 TRP CE3 1 1 2 666 1 1 14 TRP CG C -3.082 -3.329 -3.439 1.00 . A X . 14 TRP CG 1 1 2 667 1 1 14 TRP CH2 C -4.646 -4.352 -7.174 1.00 . A X . 14 TRP CH2 1 1 2 668 1 1 14 TRP CZ2 C -4.772 -5.150 -6.072 1.00 . A X . 14 TRP CZ2 1 1 2 669 1 1 14 TRP CZ3 C -3.975 -3.127 -7.115 1.00 . A X . 14 TRP CZ3 1 1 2 670 1 1 14 TRP H H -1.804 -0.193 -0.964 1.00 . A X . 14 TRP H 1 1 2 671 1 1 14 TRP HA H -3.790 -0.646 -3.085 1.00 . A X . 14 TRP HA 1 1 2 672 1 1 14 TRP HB2 H -1.688 -1.769 -3.637 1.00 . A X . 14 TRP HB2 1 1 2 673 1 1 14 TRP HB3 H -1.681 -2.565 -2.068 1.00 . A X . 14 TRP HB3 1 1 2 674 1 1 14 TRP HD1 H -3.323 -4.649 -1.736 1.00 . A X . 14 TRP HD1 1 1 2 675 1 1 14 TRP HE1 H -4.583 -6.148 -3.412 1.00 . A X . 14 TRP HE1 1 1 2 676 1 1 14 TRP HE3 H -2.896 -1.730 -5.908 1.00 . A X . 14 TRP HE3 1 1 2 677 1 1 14 TRP HH2 H -5.069 -4.664 -8.118 1.00 . A X . 14 TRP HH2 1 1 2 678 1 1 14 TRP HZ2 H -5.293 -6.094 -6.133 1.00 . A X . 14 TRP HZ2 1 1 2 679 1 1 14 TRP HZ3 H -3.897 -2.528 -8.008 1.00 . A X . 14 TRP HZ3 1 1 2 680 1 1 14 TRP N N -2.387 0.000 -1.727 1.00 . A X . 14 TRP N 1 1 2 681 1 1 14 TRP NE1 N -4.178 -5.278 -3.646 1.00 . A X . 14 TRP NE1 1 1 2 682 1 1 14 TRP O O -5.353 -1.612 -1.393 1.00 . A X . 14 TRP O 1 1 2 683 1 1 15 LYS C C -5.458 -2.076 1.469 1.00 . A X . 15 LYS C 1 1 2 684 1 1 15 LYS CA C -4.300 -2.873 0.876 1.00 . A X . 15 LYS CA 1 1 2 685 1 1 15 LYS CB C -3.377 -3.320 2.013 1.00 . A X . 15 LYS CB 1 1 2 686 1 1 15 LYS CD C -2.585 -5.340 0.723 1.00 . A X . 15 LYS CD 1 1 2 687 1 1 15 LYS CE C -1.410 -6.278 0.499 1.00 . A X . 15 LYS CE 1 1 2 688 1 1 15 LYS CG C -2.179 -4.140 1.565 1.00 . A X . 15 LYS CG 1 1 2 689 1 1 15 LYS H H -2.591 -1.973 -0.002 1.00 . A X . 15 LYS H 1 1 2 690 1 1 15 LYS HA H -4.699 -3.750 0.395 1.00 . A X . 15 LYS HA 1 1 2 691 1 1 15 LYS HB2 H -3.012 -2.443 2.527 1.00 . A X . 15 LYS HB2 1 1 2 692 1 1 15 LYS HB3 H -3.952 -3.916 2.708 1.00 . A X . 15 LYS HB3 1 1 2 693 1 1 15 LYS HD2 H -3.372 -5.877 1.231 1.00 . A X . 15 LYS HD2 1 1 2 694 1 1 15 LYS HD3 H -2.945 -4.993 -0.235 1.00 . A X . 15 LYS HD3 1 1 2 695 1 1 15 LYS HE2 H -1.150 -6.734 1.442 1.00 . A X . 15 LYS HE2 1 1 2 696 1 1 15 LYS HE3 H -1.707 -7.044 -0.200 1.00 . A X . 15 LYS HE3 1 1 2 697 1 1 15 LYS HG2 H -1.525 -3.509 0.981 1.00 . A X . 15 LYS HG2 1 1 2 698 1 1 15 LYS HG3 H -1.651 -4.491 2.439 1.00 . A X . 15 LYS HG3 1 1 2 699 1 1 15 LYS HZ1 H -0.393 -5.248 -1.013 1.00 . A X . 15 LYS HZ1 1 1 2 700 1 1 15 LYS HZ2 H 0.607 -6.213 -0.038 1.00 . A X . 15 LYS HZ2 1 1 2 701 1 1 15 LYS HZ3 H 0.009 -4.744 0.556 1.00 . A X . 15 LYS HZ3 1 1 2 702 1 1 15 LYS N N -3.553 -2.120 -0.134 1.00 . A X . 15 LYS N 1 1 2 703 1 1 15 LYS NZ N -0.217 -5.570 -0.037 1.00 . A X . 15 LYS NZ 1 1 2 704 1 1 15 LYS O O -6.560 -2.600 1.627 1.00 . A X . 15 LYS O 1 1 2 705 1 1 16 ALA C C -6.295 1.388 1.947 1.00 . A X . 16 ALA C 1 1 2 706 1 1 16 ALA CA C -6.214 -0.027 2.497 1.00 . A X . 16 ALA CA 1 1 2 707 1 1 16 ALA CB C -5.915 -0.014 3.988 1.00 . A X . 16 ALA CB 1 1 2 708 1 1 16 ALA H H -4.355 -0.413 1.563 1.00 . A X . 16 ALA H 1 1 2 709 1 1 16 ALA HA H -7.175 -0.504 2.354 1.00 . A X . 16 ALA HA 1 1 2 710 1 1 16 ALA HB1 H -4.994 0.523 4.165 1.00 . A X . 16 ALA HB1 1 1 2 711 1 1 16 ALA HB2 H -5.815 -1.028 4.346 1.00 . A X . 16 ALA HB2 1 1 2 712 1 1 16 ALA HB3 H -6.721 0.476 4.513 1.00 . A X . 16 ALA HB3 1 1 2 713 1 1 16 ALA N N -5.216 -0.818 1.797 1.00 . A X . 16 ALA N 1 1 2 714 1 1 16 ALA O O -6.254 2.366 2.696 1.00 . A X . 16 ALA O 1 1 2 715 1 1 17 LEU C C -8.028 2.831 -0.556 1.00 . A X . 17 LEU C 1 1 2 716 1 1 17 LEU CA C -6.617 2.780 0.006 1.00 . A X . 17 LEU CA 1 1 2 717 1 1 17 LEU CB C -5.587 3.021 -1.099 1.00 . A X . 17 LEU CB 1 1 2 718 1 1 17 LEU CD1 C -5.310 5.487 -0.723 1.00 . A X . 17 LEU CD1 1 1 2 719 1 1 17 LEU CD2 C -4.693 4.481 -2.930 1.00 . A X . 17 LEU CD2 1 1 2 720 1 1 17 LEU CG C -5.642 4.407 -1.743 1.00 . A X . 17 LEU CG 1 1 2 721 1 1 17 LEU H H -6.360 0.687 0.080 1.00 . A X . 17 LEU H 1 1 2 722 1 1 17 LEU HA H -6.515 3.543 0.763 1.00 . A X . 17 LEU HA 1 1 2 723 1 1 17 LEU HB2 H -4.602 2.879 -0.680 1.00 . A X . 17 LEU HB2 1 1 2 724 1 1 17 LEU HB3 H -5.741 2.283 -1.872 1.00 . A X . 17 LEU HB3 1 1 2 725 1 1 17 LEU HD11 H -6.029 5.457 0.082 1.00 . A X . 17 LEU HD11 1 1 2 726 1 1 17 LEU HD12 H -5.346 6.454 -1.199 1.00 . A X . 17 LEU HD12 1 1 2 727 1 1 17 LEU HD13 H -4.320 5.316 -0.329 1.00 . A X . 17 LEU HD13 1 1 2 728 1 1 17 LEU HD21 H -4.772 5.452 -3.394 1.00 . A X . 17 LEU HD21 1 1 2 729 1 1 17 LEU HD22 H -4.953 3.716 -3.647 1.00 . A X . 17 LEU HD22 1 1 2 730 1 1 17 LEU HD23 H -3.681 4.325 -2.591 1.00 . A X . 17 LEU HD23 1 1 2 731 1 1 17 LEU HG H -6.646 4.587 -2.103 1.00 . A X . 17 LEU HG 1 1 2 732 1 1 17 LEU N N -6.409 1.494 0.636 1.00 . A X . 17 LEU N 1 1 2 733 1 1 17 LEU O O -8.936 3.391 0.059 1.00 . A X . 17 LEU O 1 1 2 734 1 1 18 ALA C C -10.450 1.187 -1.572 1.00 . A X . 18 ALA C 1 1 2 735 1 1 18 ALA CA C -9.525 2.134 -2.324 1.00 . A X . 18 ALA CA 1 1 2 736 1 1 18 ALA CB C -9.402 1.716 -3.783 1.00 . A X . 18 ALA CB 1 1 2 737 1 1 18 ALA H H -7.464 1.732 -2.126 1.00 . A X . 18 ALA H 1 1 2 738 1 1 18 ALA HA H -9.940 3.127 -2.291 1.00 . A X . 18 ALA HA 1 1 2 739 1 1 18 ALA HB1 H -8.757 2.408 -4.304 1.00 . A X . 18 ALA HB1 1 1 2 740 1 1 18 ALA HB2 H -10.381 1.720 -4.243 1.00 . A X . 18 ALA HB2 1 1 2 741 1 1 18 ALA HB3 H -8.982 0.722 -3.839 1.00 . A X . 18 ALA HB3 1 1 2 742 1 1 18 ALA N N -8.221 2.181 -1.695 1.00 . A X . 18 ALA N 1 1 2 743 1 1 18 ALA O O -11.667 1.324 -1.629 1.00 . A X . 18 ALA O 1 1 2 744 1 1 19 LEU C C -11.261 -0.146 1.158 1.00 . A X . 19 LEU C 1 1 2 745 1 1 19 LEU CA C -10.649 -0.747 -0.104 1.00 . A X . 19 LEU CA 1 1 2 746 1 1 19 LEU CB C -9.788 -1.965 0.255 1.00 . A X . 19 LEU CB 1 1 2 747 1 1 19 LEU CD1 C -10.717 -3.343 -1.634 1.00 . A X . 19 LEU CD1 1 1 2 748 1 1 19 LEU CD2 C -8.465 -2.275 -1.877 1.00 . A X . 19 LEU CD2 1 1 2 749 1 1 19 LEU CG C -9.451 -2.915 -0.907 1.00 . A X . 19 LEU CG 1 1 2 750 1 1 19 LEU H H -8.889 0.222 -0.774 1.00 . A X . 19 LEU H 1 1 2 751 1 1 19 LEU HA H -11.450 -1.067 -0.754 1.00 . A X . 19 LEU HA 1 1 2 752 1 1 19 LEU HB2 H -8.860 -1.608 0.677 1.00 . A X . 19 LEU HB2 1 1 2 753 1 1 19 LEU HB3 H -10.308 -2.535 1.012 1.00 . A X . 19 LEU HB3 1 1 2 754 1 1 19 LEU HD11 H -10.459 -4.007 -2.445 1.00 . A X . 19 LEU HD11 1 1 2 755 1 1 19 LEU HD12 H -11.219 -2.470 -2.027 1.00 . A X . 19 LEU HD12 1 1 2 756 1 1 19 LEU HD13 H -11.372 -3.857 -0.947 1.00 . A X . 19 LEU HD13 1 1 2 757 1 1 19 LEU HD21 H -8.902 -1.382 -2.299 1.00 . A X . 19 LEU HD21 1 1 2 758 1 1 19 LEU HD22 H -8.236 -2.972 -2.669 1.00 . A X . 19 LEU HD22 1 1 2 759 1 1 19 LEU HD23 H -7.557 -2.016 -1.350 1.00 . A X . 19 LEU HD23 1 1 2 760 1 1 19 LEU HG H -8.989 -3.804 -0.504 1.00 . A X . 19 LEU HG 1 1 2 761 1 1 19 LEU N N -9.867 0.249 -0.832 1.00 . A X . 19 LEU N 1 1 2 762 1 1 19 LEU O O -12.060 -0.785 1.839 1.00 . A X . 19 LEU O 1 1 2 763 1 1 20 LYS C C -12.440 2.839 2.172 1.00 . A X . 20 LYS C 1 1 2 764 1 1 20 LYS CA C -11.445 1.773 2.619 1.00 . A X . 20 LYS CA 1 1 2 765 1 1 20 LYS CB C -10.341 2.402 3.476 1.00 . A X . 20 LYS CB 1 1 2 766 1 1 20 LYS CD C -10.328 0.471 5.086 1.00 . A X . 20 LYS CD 1 1 2 767 1 1 20 LYS CE C -9.476 -0.542 5.834 1.00 . A X . 20 LYS CE 1 1 2 768 1 1 20 LYS CG C -9.482 1.379 4.206 1.00 . A X . 20 LYS CG 1 1 2 769 1 1 20 LYS H H -10.204 1.531 0.924 1.00 . A X . 20 LYS H 1 1 2 770 1 1 20 LYS HA H -11.970 1.039 3.212 1.00 . A X . 20 LYS HA 1 1 2 771 1 1 20 LYS HB2 H -9.697 2.989 2.837 1.00 . A X . 20 LYS HB2 1 1 2 772 1 1 20 LYS HB3 H -10.793 3.053 4.212 1.00 . A X . 20 LYS HB3 1 1 2 773 1 1 20 LYS HD2 H -10.865 1.076 5.802 1.00 . A X . 20 LYS HD2 1 1 2 774 1 1 20 LYS HD3 H -11.035 -0.058 4.462 1.00 . A X . 20 LYS HD3 1 1 2 775 1 1 20 LYS HE2 H -8.883 -1.096 5.121 1.00 . A X . 20 LYS HE2 1 1 2 776 1 1 20 LYS HE3 H -8.823 -0.014 6.513 1.00 . A X . 20 LYS HE3 1 1 2 777 1 1 20 LYS HG2 H -8.964 0.773 3.477 1.00 . A X . 20 LYS HG2 1 1 2 778 1 1 20 LYS HG3 H -8.764 1.900 4.823 1.00 . A X . 20 LYS HG3 1 1 2 779 1 1 20 LYS HZ1 H -10.893 -0.982 7.307 1.00 . A X . 20 LYS HZ1 1 1 2 780 1 1 20 LYS HZ2 H -9.707 -2.180 7.113 1.00 . A X . 20 LYS HZ2 1 1 2 781 1 1 20 LYS HZ3 H -10.947 -2.018 5.965 1.00 . A X . 20 LYS HZ3 1 1 2 782 1 1 20 LYS N N -10.879 1.082 1.473 1.00 . A X . 20 LYS N 1 1 2 783 1 1 20 LYS NZ N -10.312 -1.495 6.610 1.00 . A X . 20 LYS NZ 1 1 2 784 1 1 20 LYS O O -13.468 3.049 2.811 1.00 . A X . 20 LYS O 1 1 2 785 1 1 21 LEU C C -14.106 3.995 -0.322 1.00 . A X . 21 LEU C 1 1 2 786 1 1 21 LEU CA C -12.998 4.563 0.560 1.00 . A X . 21 LEU CA 1 1 2 787 1 1 21 LEU CB C -12.193 5.611 -0.216 1.00 . A X . 21 LEU CB 1 1 2 788 1 1 21 LEU CD1 C -10.345 6.029 1.459 1.00 . A X . 21 LEU CD1 1 1 2 789 1 1 21 LEU CD2 C -10.915 7.775 -0.240 1.00 . A X . 21 LEU CD2 1 1 2 790 1 1 21 LEU CG C -11.462 6.658 0.640 1.00 . A X . 21 LEU CG 1 1 2 791 1 1 21 LEU H H -11.307 3.286 0.586 1.00 . A X . 21 LEU H 1 1 2 792 1 1 21 LEU HA H -13.455 5.040 1.415 1.00 . A X . 21 LEU HA 1 1 2 793 1 1 21 LEU HB2 H -11.462 5.095 -0.820 1.00 . A X . 21 LEU HB2 1 1 2 794 1 1 21 LEU HB3 H -12.873 6.131 -0.874 1.00 . A X . 21 LEU HB3 1 1 2 795 1 1 21 LEU HD11 H -10.756 5.265 2.099 1.00 . A X . 21 LEU HD11 1 1 2 796 1 1 21 LEU HD12 H -9.872 6.789 2.064 1.00 . A X . 21 LEU HD12 1 1 2 797 1 1 21 LEU HD13 H -9.614 5.589 0.797 1.00 . A X . 21 LEU HD13 1 1 2 798 1 1 21 LEU HD21 H -11.730 8.245 -0.773 1.00 . A X . 21 LEU HD21 1 1 2 799 1 1 21 LEU HD22 H -10.210 7.369 -0.949 1.00 . A X . 21 LEU HD22 1 1 2 800 1 1 21 LEU HD23 H -10.420 8.511 0.379 1.00 . A X . 21 LEU HD23 1 1 2 801 1 1 21 LEU HG H -12.167 7.096 1.330 1.00 . A X . 21 LEU HG 1 1 2 802 1 1 21 LEU N N -12.133 3.505 1.067 1.00 . A X . 21 LEU N 1 1 2 803 1 1 21 LEU O O -15.234 4.485 -0.310 1.00 . A X . 21 LEU O 1 1 2 804 1 1 22 LYS C C -15.216 1.005 -1.389 1.00 . A X . 22 LYS C 1 1 2 805 1 1 22 LYS CA C -14.758 2.335 -1.976 1.00 . A X . 22 LYS CA 1 1 2 806 1 1 22 LYS CB C -14.152 2.110 -3.369 1.00 . A X . 22 LYS CB 1 1 2 807 1 1 22 LYS CD C -14.131 4.561 -3.977 1.00 . A X . 22 LYS CD 1 1 2 808 1 1 22 LYS CE C -13.245 5.741 -4.350 1.00 . A X . 22 LYS CE 1 1 2 809 1 1 22 LYS CG C -13.321 3.278 -3.882 1.00 . A X . 22 LYS CG 1 1 2 810 1 1 22 LYS H H -12.872 2.596 -1.048 1.00 . A X . 22 LYS H 1 1 2 811 1 1 22 LYS HA H -15.609 2.996 -2.057 1.00 . A X . 22 LYS HA 1 1 2 812 1 1 22 LYS HB2 H -13.516 1.236 -3.333 1.00 . A X . 22 LYS HB2 1 1 2 813 1 1 22 LYS HB3 H -14.952 1.930 -4.072 1.00 . A X . 22 LYS HB3 1 1 2 814 1 1 22 LYS HD2 H -14.893 4.441 -4.732 1.00 . A X . 22 LYS HD2 1 1 2 815 1 1 22 LYS HD3 H -14.595 4.756 -3.021 1.00 . A X . 22 LYS HD3 1 1 2 816 1 1 22 LYS HE2 H -12.451 5.824 -3.622 1.00 . A X . 22 LYS HE2 1 1 2 817 1 1 22 LYS HE3 H -12.820 5.559 -5.324 1.00 . A X . 22 LYS HE3 1 1 2 818 1 1 22 LYS HG2 H -12.495 3.439 -3.206 1.00 . A X . 22 LYS HG2 1 1 2 819 1 1 22 LYS HG3 H -12.941 3.031 -4.863 1.00 . A X . 22 LYS HG3 1 1 2 820 1 1 22 LYS HZ1 H -14.709 6.994 -5.150 1.00 . A X . 22 LYS HZ1 1 1 2 821 1 1 22 LYS HZ2 H -13.350 7.816 -4.558 1.00 . A X . 22 LYS HZ2 1 1 2 822 1 1 22 LYS HZ3 H -14.489 7.171 -3.475 1.00 . A X . 22 LYS HZ3 1 1 2 823 1 1 22 LYS N N -13.785 2.957 -1.082 1.00 . A X . 22 LYS N 1 1 2 824 1 1 22 LYS NZ N -14.001 7.017 -4.385 1.00 . A X . 22 LYS NZ 1 1 2 825 1 1 22 LYS O O -15.905 0.225 -2.049 1.00 . A X . 22 LYS O 1 1 2 826 1 1 23 LYS C C -14.397 -1.666 -0.031 1.00 . A X . 23 LYS C 1 1 2 827 1 1 23 LYS CA C -15.119 -0.467 0.588 1.00 . A X . 23 LYS CA 1 1 2 828 1 1 23 LYS CB C -16.626 -0.737 0.644 1.00 . A X . 23 LYS CB 1 1 2 829 1 1 23 LYS CD C -18.876 -0.065 1.512 1.00 . A X . 23 LYS CD 1 1 2 830 1 1 23 LYS CE C -19.721 1.063 2.078 1.00 . A X . 23 LYS CE 1 1 2 831 1 1 23 LYS CG C -17.430 0.356 1.324 1.00 . A X . 23 LYS CG 1 1 2 832 1 1 23 LYS H H -14.302 1.462 0.324 1.00 . A X . 23 LYS H 1 1 2 833 1 1 23 LYS HA H -14.755 -0.341 1.598 1.00 . A X . 23 LYS HA 1 1 2 834 1 1 23 LYS HB2 H -16.998 -0.850 -0.364 1.00 . A X . 23 LYS HB2 1 1 2 835 1 1 23 LYS HB3 H -16.792 -1.658 1.182 1.00 . A X . 23 LYS HB3 1 1 2 836 1 1 23 LYS HD2 H -19.284 -0.359 0.555 1.00 . A X . 23 LYS HD2 1 1 2 837 1 1 23 LYS HD3 H -18.912 -0.904 2.191 1.00 . A X . 23 LYS HD3 1 1 2 838 1 1 23 LYS HE2 H -20.712 0.687 2.273 1.00 . A X . 23 LYS HE2 1 1 2 839 1 1 23 LYS HE3 H -19.275 1.402 3.002 1.00 . A X . 23 LYS HE3 1 1 2 840 1 1 23 LYS HG2 H -16.995 0.561 2.292 1.00 . A X . 23 LYS HG2 1 1 2 841 1 1 23 LYS HG3 H -17.399 1.250 0.715 1.00 . A X . 23 LYS HG3 1 1 2 842 1 1 23 LYS HZ1 H -20.551 2.877 1.462 1.00 . A X . 23 LYS HZ1 1 1 2 843 1 1 23 LYS HZ2 H -20.075 1.870 0.185 1.00 . A X . 23 LYS HZ2 1 1 2 844 1 1 23 LYS HZ3 H -18.905 2.709 1.082 1.00 . A X . 23 LYS HZ3 1 1 2 845 1 1 23 LYS N N -14.821 0.772 -0.135 1.00 . A X . 23 LYS N 1 1 2 846 1 1 23 LYS NZ N -19.820 2.208 1.138 1.00 . A X . 23 LYS NZ 1 1 2 847 1 1 23 LYS O O -13.754 -1.551 -1.077 1.00 . A X . 23 LYS O 1 1 2 848 1 1 24 ALA C C -14.722 -4.757 -0.839 1.00 . A X . 24 ALA C 1 1 2 849 1 1 24 ALA CA C -13.850 -4.025 0.167 1.00 . A X . 24 ALA CA 1 1 2 850 1 1 24 ALA CB C -13.518 -4.927 1.346 1.00 . A X . 24 ALA CB 1 1 2 851 1 1 24 ALA H H -15.061 -2.850 1.438 1.00 . A X . 24 ALA H 1 1 2 852 1 1 24 ALA HA H -12.926 -3.739 -0.314 1.00 . A X . 24 ALA HA 1 1 2 853 1 1 24 ALA HB1 H -14.430 -5.223 1.842 1.00 . A X . 24 ALA HB1 1 1 2 854 1 1 24 ALA HB2 H -12.887 -4.392 2.041 1.00 . A X . 24 ALA HB2 1 1 2 855 1 1 24 ALA HB3 H -12.998 -5.805 0.992 1.00 . A X . 24 ALA HB3 1 1 2 856 1 1 24 ALA N N -14.510 -2.814 0.625 1.00 . A X . 24 ALA N 1 1 2 857 1 1 24 ALA O O -14.386 -4.746 -2.040 1.00 . A X . 24 ALA O 1 1 2 858 1 1 24 ALA OXT O -15.767 -5.312 -0.433 1.00 . A X . 24 ALA OXT 1 1 3 859 1 1 1 LYS C C 10.770 0.158 10.263 1.00 . A X . 1 LYS C 1 1 3 860 1 1 1 LYS CA C 10.612 0.085 11.785 1.00 . A X . 1 LYS CA 1 1 3 861 1 1 1 LYS CB C 11.156 1.372 12.438 1.00 . A X . 1 LYS CB 1 1 3 862 1 1 1 LYS CD C 13.344 0.753 13.548 1.00 . A X . 1 LYS CD 1 1 3 863 1 1 1 LYS CE C 14.851 0.942 13.545 1.00 . A X . 1 LYS CE 1 1 3 864 1 1 1 LYS CG C 12.675 1.529 12.420 1.00 . A X . 1 LYS CG 1 1 3 865 1 1 1 LYS H1 H 10.815 -1.976 11.930 1.00 . A X . 1 LYS H1 1 1 3 866 1 1 1 LYS H2 H 11.150 -1.153 13.373 1.00 . A X . 1 LYS H2 1 1 3 867 1 1 1 LYS H3 H 12.275 -1.132 12.101 1.00 . A X . 1 LYS H3 1 1 3 868 1 1 1 LYS HA H 9.556 0.012 12.004 1.00 . A X . 1 LYS HA 1 1 3 869 1 1 1 LYS HB2 H 10.732 2.220 11.922 1.00 . A X . 1 LYS HB2 1 1 3 870 1 1 1 LYS HB3 H 10.828 1.397 13.468 1.00 . A X . 1 LYS HB3 1 1 3 871 1 1 1 LYS HD2 H 12.955 1.099 14.492 1.00 . A X . 1 LYS HD2 1 1 3 872 1 1 1 LYS HD3 H 13.123 -0.298 13.430 1.00 . A X . 1 LYS HD3 1 1 3 873 1 1 1 LYS HE2 H 15.244 0.588 12.605 1.00 . A X . 1 LYS HE2 1 1 3 874 1 1 1 LYS HE3 H 15.071 1.993 13.654 1.00 . A X . 1 LYS HE3 1 1 3 875 1 1 1 LYS HG2 H 13.050 1.165 11.476 1.00 . A X . 1 LYS HG2 1 1 3 876 1 1 1 LYS HG3 H 12.916 2.578 12.522 1.00 . A X . 1 LYS HG3 1 1 3 877 1 1 1 LYS HZ1 H 16.533 0.347 14.630 1.00 . A X . 1 LYS HZ1 1 1 3 878 1 1 1 LYS HZ2 H 15.312 -0.828 14.552 1.00 . A X . 1 LYS HZ2 1 1 3 879 1 1 1 LYS HZ3 H 15.131 0.520 15.569 1.00 . A X . 1 LYS HZ3 1 1 3 880 1 1 1 LYS N N 11.260 -1.124 12.336 1.00 . A X . 1 LYS N 1 1 3 881 1 1 1 LYS NZ N 15.500 0.194 14.649 1.00 . A X . 1 LYS NZ 1 1 3 882 1 1 1 LYS O O 9.778 0.262 9.538 1.00 . A X . 1 LYS O 1 1 3 883 1 1 2 LYS C C 12.080 -0.925 7.490 1.00 . A X . 2 LYS C 1 1 3 884 1 1 2 LYS CA C 12.289 0.309 8.357 1.00 . A X . 2 LYS CA 1 1 3 885 1 1 2 LYS CB C 13.710 0.837 8.176 1.00 . A X . 2 LYS CB 1 1 3 886 1 1 2 LYS CD C 15.229 2.831 8.302 1.00 . A X . 2 LYS CD 1 1 3 887 1 1 2 LYS CE C 15.243 3.033 6.791 1.00 . A X . 2 LYS CE 1 1 3 888 1 1 2 LYS CG C 13.922 2.218 8.772 1.00 . A X . 2 LYS CG 1 1 3 889 1 1 2 LYS H H 12.745 -0.217 10.364 1.00 . A X . 2 LYS H 1 1 3 890 1 1 2 LYS HA H 11.601 1.069 8.025 1.00 . A X . 2 LYS HA 1 1 3 891 1 1 2 LYS HB2 H 14.398 0.153 8.651 1.00 . A X . 2 LYS HB2 1 1 3 892 1 1 2 LYS HB3 H 13.933 0.885 7.120 1.00 . A X . 2 LYS HB3 1 1 3 893 1 1 2 LYS HD2 H 15.358 3.789 8.783 1.00 . A X . 2 LYS HD2 1 1 3 894 1 1 2 LYS HD3 H 16.044 2.177 8.577 1.00 . A X . 2 LYS HD3 1 1 3 895 1 1 2 LYS HE2 H 16.192 3.467 6.509 1.00 . A X . 2 LYS HE2 1 1 3 896 1 1 2 LYS HE3 H 15.132 2.072 6.311 1.00 . A X . 2 LYS HE3 1 1 3 897 1 1 2 LYS HG2 H 13.107 2.858 8.468 1.00 . A X . 2 LYS HG2 1 1 3 898 1 1 2 LYS HG3 H 13.938 2.137 9.849 1.00 . A X . 2 LYS HG3 1 1 3 899 1 1 2 LYS HZ1 H 14.278 4.182 5.333 1.00 . A X . 2 LYS HZ1 1 1 3 900 1 1 2 LYS HZ2 H 14.145 4.809 6.901 1.00 . A X . 2 LYS HZ2 1 1 3 901 1 1 2 LYS HZ3 H 13.222 3.462 6.447 1.00 . A X . 2 LYS HZ3 1 1 3 902 1 1 2 LYS N N 12.007 0.055 9.769 1.00 . A X . 2 LYS N 1 1 3 903 1 1 2 LYS NZ N 14.148 3.933 6.336 1.00 . A X . 2 LYS NZ 1 1 3 904 1 1 2 LYS O O 12.937 -1.286 6.682 1.00 . A X . 2 LYS O 1 1 3 905 1 1 3 LEU C C 9.231 -2.236 6.097 1.00 . A X . 3 LEU C 1 1 3 906 1 1 3 LEU CA C 10.529 -2.639 6.777 1.00 . A X . 3 LEU CA 1 1 3 907 1 1 3 LEU CB C 10.367 -3.976 7.516 1.00 . A X . 3 LEU CB 1 1 3 908 1 1 3 LEU CD1 C 12.536 -4.041 8.799 1.00 . A X . 3 LEU CD1 1 1 3 909 1 1 3 LEU CD2 C 11.348 -6.166 8.250 1.00 . A X . 3 LEU CD2 1 1 3 910 1 1 3 LEU CG C 11.664 -4.754 7.781 1.00 . A X . 3 LEU CG 1 1 3 911 1 1 3 LEU H H 10.360 -1.312 8.411 1.00 . A X . 3 LEU H 1 1 3 912 1 1 3 LEU HA H 11.294 -2.747 6.020 1.00 . A X . 3 LEU HA 1 1 3 913 1 1 3 LEU HB2 H 9.892 -3.778 8.467 1.00 . A X . 3 LEU HB2 1 1 3 914 1 1 3 LEU HB3 H 9.710 -4.605 6.932 1.00 . A X . 3 LEU HB3 1 1 3 915 1 1 3 LEU HD11 H 13.437 -4.612 8.961 1.00 . A X . 3 LEU HD11 1 1 3 916 1 1 3 LEU HD12 H 11.998 -3.944 9.731 1.00 . A X . 3 LEU HD12 1 1 3 917 1 1 3 LEU HD13 H 12.793 -3.059 8.428 1.00 . A X . 3 LEU HD13 1 1 3 918 1 1 3 LEU HD21 H 10.799 -6.687 7.480 1.00 . A X . 3 LEU HD21 1 1 3 919 1 1 3 LEU HD22 H 10.752 -6.124 9.150 1.00 . A X . 3 LEU HD22 1 1 3 920 1 1 3 LEU HD23 H 12.270 -6.693 8.454 1.00 . A X . 3 LEU HD23 1 1 3 921 1 1 3 LEU HG H 12.224 -4.826 6.860 1.00 . A X . 3 LEU HG 1 1 3 922 1 1 3 LEU N N 10.944 -1.570 7.667 1.00 . A X . 3 LEU N 1 1 3 923 1 1 3 LEU O O 9.247 -1.678 5.002 1.00 . A X . 3 LEU O 1 1 3 924 1 1 4 LYS C C 6.070 -1.198 7.276 1.00 . A X . 4 LYS C 1 1 3 925 1 1 4 LYS CA C 6.820 -2.038 6.246 1.00 . A X . 4 LYS CA 1 1 3 926 1 1 4 LYS CB C 5.967 -3.235 5.807 1.00 . A X . 4 LYS CB 1 1 3 927 1 1 4 LYS CD C 4.786 -5.354 6.435 1.00 . A X . 4 LYS CD 1 1 3 928 1 1 4 LYS CE C 4.694 -6.493 7.436 1.00 . A X . 4 LYS CE 1 1 3 929 1 1 4 LYS CG C 5.755 -4.276 6.891 1.00 . A X . 4 LYS CG 1 1 3 930 1 1 4 LYS H H 8.148 -2.966 7.610 1.00 . A X . 4 LYS H 1 1 3 931 1 1 4 LYS HA H 7.013 -1.420 5.381 1.00 . A X . 4 LYS HA 1 1 3 932 1 1 4 LYS HB2 H 5.000 -2.876 5.494 1.00 . A X . 4 LYS HB2 1 1 3 933 1 1 4 LYS HB3 H 6.449 -3.716 4.969 1.00 . A X . 4 LYS HB3 1 1 3 934 1 1 4 LYS HD2 H 3.808 -4.914 6.316 1.00 . A X . 4 LYS HD2 1 1 3 935 1 1 4 LYS HD3 H 5.122 -5.746 5.486 1.00 . A X . 4 LYS HD3 1 1 3 936 1 1 4 LYS HE2 H 4.453 -6.083 8.405 1.00 . A X . 4 LYS HE2 1 1 3 937 1 1 4 LYS HE3 H 3.908 -7.166 7.126 1.00 . A X . 4 LYS HE3 1 1 3 938 1 1 4 LYS HG2 H 6.703 -4.735 7.132 1.00 . A X . 4 LYS HG2 1 1 3 939 1 1 4 LYS HG3 H 5.354 -3.792 7.768 1.00 . A X . 4 LYS HG3 1 1 3 940 1 1 4 LYS HZ1 H 6.263 -7.579 6.586 1.00 . A X . 4 LYS HZ1 1 1 3 941 1 1 4 LYS HZ2 H 5.844 -8.085 8.150 1.00 . A X . 4 LYS HZ2 1 1 3 942 1 1 4 LYS HZ3 H 6.719 -6.649 7.930 1.00 . A X . 4 LYS HZ3 1 1 3 943 1 1 4 LYS N N 8.110 -2.474 6.764 1.00 . A X . 4 LYS N 1 1 3 944 1 1 4 LYS NZ N 5.968 -7.251 7.532 1.00 . A X . 4 LYS NZ 1 1 3 945 1 1 4 LYS O O 5.040 -0.601 6.964 1.00 . A X . 4 LYS O 1 1 3 946 1 1 5 LEU C C 6.077 1.116 9.305 1.00 . A X . 5 LEU C 1 1 3 947 1 1 5 LEU CA C 5.952 -0.381 9.561 1.00 . A X . 5 LEU CA 1 1 3 948 1 1 5 LEU CB C 6.565 -0.748 10.915 1.00 . A X . 5 LEU CB 1 1 3 949 1 1 5 LEU CD1 C 4.405 -0.615 12.195 1.00 . A X . 5 LEU CD1 1 1 3 950 1 1 5 LEU CD2 C 6.582 -0.529 13.413 1.00 . A X . 5 LEU CD2 1 1 3 951 1 1 5 LEU CG C 5.853 -0.153 12.134 1.00 . A X . 5 LEU CG 1 1 3 952 1 1 5 LEU H H 7.442 -1.591 8.674 1.00 . A X . 5 LEU H 1 1 3 953 1 1 5 LEU HA H 4.906 -0.645 9.562 1.00 . A X . 5 LEU HA 1 1 3 954 1 1 5 LEU HB2 H 6.560 -1.824 11.010 1.00 . A X . 5 LEU HB2 1 1 3 955 1 1 5 LEU HB3 H 7.591 -0.409 10.924 1.00 . A X . 5 LEU HB3 1 1 3 956 1 1 5 LEU HD11 H 3.922 -0.165 13.050 1.00 . A X . 5 LEU HD11 1 1 3 957 1 1 5 LEU HD12 H 4.373 -1.690 12.287 1.00 . A X . 5 LEU HD12 1 1 3 958 1 1 5 LEU HD13 H 3.892 -0.315 11.293 1.00 . A X . 5 LEU HD13 1 1 3 959 1 1 5 LEU HD21 H 6.602 -1.605 13.514 1.00 . A X . 5 LEU HD21 1 1 3 960 1 1 5 LEU HD22 H 6.066 -0.098 14.258 1.00 . A X . 5 LEU HD22 1 1 3 961 1 1 5 LEU HD23 H 7.593 -0.150 13.377 1.00 . A X . 5 LEU HD23 1 1 3 962 1 1 5 LEU HG H 5.856 0.923 12.049 1.00 . A X . 5 LEU HG 1 1 3 963 1 1 5 LEU N N 6.599 -1.132 8.492 1.00 . A X . 5 LEU N 1 1 3 964 1 1 5 LEU O O 5.087 1.842 9.324 1.00 . A X . 5 LEU O 1 1 3 965 1 1 6 ALA C C 7.340 3.167 7.178 1.00 . A X . 6 ALA C 1 1 3 966 1 1 6 ALA CA C 7.532 2.963 8.676 1.00 . A X . 6 ALA CA 1 1 3 967 1 1 6 ALA CB C 8.929 3.394 9.098 1.00 . A X . 6 ALA CB 1 1 3 968 1 1 6 ALA H H 8.058 0.953 9.083 1.00 . A X . 6 ALA H 1 1 3 969 1 1 6 ALA HA H 6.814 3.571 9.208 1.00 . A X . 6 ALA HA 1 1 3 970 1 1 6 ALA HB1 H 9.663 2.802 8.572 1.00 . A X . 6 ALA HB1 1 1 3 971 1 1 6 ALA HB2 H 9.043 3.249 10.162 1.00 . A X . 6 ALA HB2 1 1 3 972 1 1 6 ALA HB3 H 9.073 4.438 8.859 1.00 . A X . 6 ALA HB3 1 1 3 973 1 1 6 ALA N N 7.295 1.569 9.032 1.00 . A X . 6 ALA N 1 1 3 974 1 1 6 ALA O O 7.957 4.042 6.568 1.00 . A X . 6 ALA O 1 1 3 975 1 1 7 LEU C C 4.719 2.471 4.921 1.00 . A X . 7 LEU C 1 1 3 976 1 1 7 LEU CA C 6.218 2.411 5.168 1.00 . A X . 7 LEU CA 1 1 3 977 1 1 7 LEU CB C 6.830 1.198 4.460 1.00 . A X . 7 LEU CB 1 1 3 978 1 1 7 LEU CD1 C 7.441 2.384 2.332 1.00 . A X . 7 LEU CD1 1 1 3 979 1 1 7 LEU CD2 C 7.255 -0.113 2.369 1.00 . A X . 7 LEU CD2 1 1 3 980 1 1 7 LEU CG C 6.709 1.192 2.934 1.00 . A X . 7 LEU CG 1 1 3 981 1 1 7 LEU H H 6.003 1.691 7.145 1.00 . A X . 7 LEU H 1 1 3 982 1 1 7 LEU HA H 6.672 3.312 4.786 1.00 . A X . 7 LEU HA 1 1 3 983 1 1 7 LEU HB2 H 7.879 1.155 4.716 1.00 . A X . 7 LEU HB2 1 1 3 984 1 1 7 LEU HB3 H 6.350 0.309 4.839 1.00 . A X . 7 LEU HB3 1 1 3 985 1 1 7 LEU HD11 H 6.990 3.299 2.687 1.00 . A X . 7 LEU HD11 1 1 3 986 1 1 7 LEU HD12 H 7.373 2.344 1.255 1.00 . A X . 7 LEU HD12 1 1 3 987 1 1 7 LEU HD13 H 8.478 2.357 2.629 1.00 . A X . 7 LEU HD13 1 1 3 988 1 1 7 LEU HD21 H 6.685 -0.944 2.760 1.00 . A X . 7 LEU HD21 1 1 3 989 1 1 7 LEU HD22 H 8.291 -0.223 2.656 1.00 . A X . 7 LEU HD22 1 1 3 990 1 1 7 LEU HD23 H 7.180 -0.101 1.291 1.00 . A X . 7 LEU HD23 1 1 3 991 1 1 7 LEU HG H 5.667 1.266 2.659 1.00 . A X . 7 LEU HG 1 1 3 992 1 1 7 LEU N N 6.483 2.349 6.595 1.00 . A X . 7 LEU N 1 1 3 993 1 1 7 LEU O O 4.221 3.399 4.288 1.00 . A X . 7 LEU O 1 1 3 994 1 1 8 ALA C C 1.866 1.994 6.534 1.00 . A X . 8 ALA C 1 1 3 995 1 1 8 ALA CA C 2.556 1.435 5.295 1.00 . A X . 8 ALA CA 1 1 3 996 1 1 8 ALA CB C 2.103 0.009 5.032 1.00 . A X . 8 ALA CB 1 1 3 997 1 1 8 ALA H H 4.452 0.776 5.951 1.00 . A X . 8 ALA H 1 1 3 998 1 1 8 ALA HA H 2.288 2.036 4.439 1.00 . A X . 8 ALA HA 1 1 3 999 1 1 8 ALA HB1 H 1.034 -0.004 4.885 1.00 . A X . 8 ALA HB1 1 1 3 1000 1 1 8 ALA HB2 H 2.357 -0.609 5.880 1.00 . A X . 8 ALA HB2 1 1 3 1001 1 1 8 ALA HB3 H 2.594 -0.373 4.148 1.00 . A X . 8 ALA HB3 1 1 3 1002 1 1 8 ALA N N 4.001 1.488 5.445 1.00 . A X . 8 ALA N 1 1 3 1003 1 1 8 ALA O O 0.764 1.576 6.887 1.00 . A X . 8 ALA O 1 1 3 1004 1 1 9 LYS C C 0.846 4.483 8.069 1.00 . A X . 9 LYS C 1 1 3 1005 1 1 9 LYS CA C 2.007 3.556 8.402 1.00 . A X . 9 LYS CA 1 1 3 1006 1 1 9 LYS CB C 3.121 4.330 9.110 1.00 . A X . 9 LYS CB 1 1 3 1007 1 1 9 LYS CD C 3.848 5.735 11.051 1.00 . A X . 9 LYS CD 1 1 3 1008 1 1 9 LYS CE C 5.062 4.876 11.381 1.00 . A X . 9 LYS CE 1 1 3 1009 1 1 9 LYS CG C 2.717 4.916 10.453 1.00 . A X . 9 LYS CG 1 1 3 1010 1 1 9 LYS H H 3.378 3.250 6.835 1.00 . A X . 9 LYS H 1 1 3 1011 1 1 9 LYS HA H 1.654 2.768 9.050 1.00 . A X . 9 LYS HA 1 1 3 1012 1 1 9 LYS HB2 H 3.959 3.668 9.270 1.00 . A X . 9 LYS HB2 1 1 3 1013 1 1 9 LYS HB3 H 3.437 5.143 8.472 1.00 . A X . 9 LYS HB3 1 1 3 1014 1 1 9 LYS HD2 H 4.140 6.492 10.340 1.00 . A X . 9 LYS HD2 1 1 3 1015 1 1 9 LYS HD3 H 3.496 6.206 11.957 1.00 . A X . 9 LYS HD3 1 1 3 1016 1 1 9 LYS HE2 H 4.810 4.222 12.202 1.00 . A X . 9 LYS HE2 1 1 3 1017 1 1 9 LYS HE3 H 5.315 4.284 10.515 1.00 . A X . 9 LYS HE3 1 1 3 1018 1 1 9 LYS HG2 H 1.858 5.557 10.312 1.00 . A X . 9 LYS HG2 1 1 3 1019 1 1 9 LYS HG3 H 2.464 4.114 11.130 1.00 . A X . 9 LYS HG3 1 1 3 1020 1 1 9 LYS HZ1 H 5.983 6.361 12.524 1.00 . A X . 9 LYS HZ1 1 1 3 1021 1 1 9 LYS HZ2 H 6.571 6.251 10.940 1.00 . A X . 9 LYS HZ2 1 1 3 1022 1 1 9 LYS HZ3 H 7.018 5.091 12.092 1.00 . A X . 9 LYS HZ3 1 1 3 1023 1 1 9 LYS N N 2.523 2.944 7.186 1.00 . A X . 9 LYS N 1 1 3 1024 1 1 9 LYS NZ N 6.238 5.702 11.764 1.00 . A X . 9 LYS NZ 1 1 3 1025 1 1 9 LYS O O 1.045 5.656 7.760 1.00 . A X . 9 LYS O 1 1 3 1026 1 1 10 LEU C C -1.666 5.019 6.312 1.00 . A X . 10 LEU C 1 1 3 1027 1 1 10 LEU CA C -1.593 4.652 7.793 1.00 . A X . 10 LEU CA 1 1 3 1028 1 1 10 LEU CB C -1.742 5.916 8.661 1.00 . A X . 10 LEU CB 1 1 3 1029 1 1 10 LEU CD1 C -1.128 4.970 10.924 1.00 . A X . 10 LEU CD1 1 1 3 1030 1 1 10 LEU CD2 C -2.558 7.015 10.761 1.00 . A X . 10 LEU CD2 1 1 3 1031 1 1 10 LEU CG C -2.195 5.688 10.111 1.00 . A X . 10 LEU CG 1 1 3 1032 1 1 10 LEU H H -0.414 2.965 8.314 1.00 . A X . 10 LEU H 1 1 3 1033 1 1 10 LEU HA H -2.416 3.988 8.011 1.00 . A X . 10 LEU HA 1 1 3 1034 1 1 10 LEU HB2 H -0.786 6.423 8.682 1.00 . A X . 10 LEU HB2 1 1 3 1035 1 1 10 LEU HB3 H -2.459 6.566 8.184 1.00 . A X . 10 LEU HB3 1 1 3 1036 1 1 10 LEU HD11 H -1.489 4.807 11.929 1.00 . A X . 10 LEU HD11 1 1 3 1037 1 1 10 LEU HD12 H -0.232 5.572 10.954 1.00 . A X . 10 LEU HD12 1 1 3 1038 1 1 10 LEU HD13 H -0.906 4.018 10.462 1.00 . A X . 10 LEU HD13 1 1 3 1039 1 1 10 LEU HD21 H -2.845 6.846 11.787 1.00 . A X . 10 LEU HD21 1 1 3 1040 1 1 10 LEU HD22 H -3.383 7.464 10.226 1.00 . A X . 10 LEU HD22 1 1 3 1041 1 1 10 LEU HD23 H -1.706 7.677 10.728 1.00 . A X . 10 LEU HD23 1 1 3 1042 1 1 10 LEU HG H -3.079 5.067 10.107 1.00 . A X . 10 LEU HG 1 1 3 1043 1 1 10 LEU N N -0.356 3.921 8.094 1.00 . A X . 10 LEU N 1 1 3 1044 1 1 10 LEU O O -2.608 5.676 5.867 1.00 . A X . 10 LEU O 1 1 3 1045 1 1 11 ALA C C -0.265 3.541 3.368 1.00 . A X . 11 ALA C 1 1 3 1046 1 1 11 ALA CA C -0.638 4.819 4.115 1.00 . A X . 11 ALA CA 1 1 3 1047 1 1 11 ALA CB C 0.345 5.939 3.795 1.00 . A X . 11 ALA CB 1 1 3 1048 1 1 11 ALA H H 0.051 4.067 5.964 1.00 . A X . 11 ALA H 1 1 3 1049 1 1 11 ALA HA H -1.625 5.135 3.805 1.00 . A X . 11 ALA HA 1 1 3 1050 1 1 11 ALA HB1 H 0.345 6.127 2.731 1.00 . A X . 11 ALA HB1 1 1 3 1051 1 1 11 ALA HB2 H 1.336 5.646 4.108 1.00 . A X . 11 ALA HB2 1 1 3 1052 1 1 11 ALA HB3 H 0.053 6.838 4.319 1.00 . A X . 11 ALA HB3 1 1 3 1053 1 1 11 ALA N N -0.677 4.575 5.550 1.00 . A X . 11 ALA N 1 1 3 1054 1 1 11 ALA O O 0.848 3.408 2.864 1.00 . A X . 11 ALA O 1 1 3 1055 1 1 12 PRO C C -0.970 1.407 1.117 1.00 . A X . 12 PRO C 1 1 3 1056 1 1 12 PRO CA C -0.974 1.287 2.633 1.00 . A X . 12 PRO CA 1 1 3 1057 1 1 12 PRO CB C -2.156 0.421 3.102 1.00 . A X . 12 PRO CB 1 1 3 1058 1 1 12 PRO CD C -2.550 2.652 3.861 1.00 . A X . 12 PRO CD 1 1 3 1059 1 1 12 PRO CG C -2.842 1.215 4.167 1.00 . A X . 12 PRO CG 1 1 3 1060 1 1 12 PRO HA H -0.049 0.832 2.948 1.00 . A X . 12 PRO HA 1 1 3 1061 1 1 12 PRO HB2 H -2.815 0.230 2.268 1.00 . A X . 12 PRO HB2 1 1 3 1062 1 1 12 PRO HB3 H -1.784 -0.516 3.490 1.00 . A X . 12 PRO HB3 1 1 3 1063 1 1 12 PRO HD2 H -3.252 3.038 3.139 1.00 . A X . 12 PRO HD2 1 1 3 1064 1 1 12 PRO HD3 H -2.559 3.244 4.764 1.00 . A X . 12 PRO HD3 1 1 3 1065 1 1 12 PRO HG2 H -3.907 1.034 4.136 1.00 . A X . 12 PRO HG2 1 1 3 1066 1 1 12 PRO HG3 H -2.444 0.949 5.135 1.00 . A X . 12 PRO HG3 1 1 3 1067 1 1 12 PRO N N -1.199 2.576 3.295 1.00 . A X . 12 PRO N 1 1 3 1068 1 1 12 PRO O O -0.574 0.469 0.424 1.00 . A X . 12 PRO O 1 1 3 1069 1 1 13 LEU C C -2.489 1.990 -1.535 1.00 . A X . 13 LEU C 1 1 3 1070 1 1 13 LEU CA C -1.466 2.863 -0.815 1.00 . A X . 13 LEU CA 1 1 3 1071 1 1 13 LEU CB C -0.084 2.708 -1.459 1.00 . A X . 13 LEU CB 1 1 3 1072 1 1 13 LEU CD1 C 2.325 3.365 -1.582 1.00 . A X . 13 LEU CD1 1 1 3 1073 1 1 13 LEU CD2 C 0.592 5.101 -1.145 1.00 . A X . 13 LEU CD2 1 1 3 1074 1 1 13 LEU CG C 0.991 3.651 -0.918 1.00 . A X . 13 LEU CG 1 1 3 1075 1 1 13 LEU H H -1.720 3.251 1.250 1.00 . A X . 13 LEU H 1 1 3 1076 1 1 13 LEU HA H -1.774 3.893 -0.916 1.00 . A X . 13 LEU HA 1 1 3 1077 1 1 13 LEU HB2 H 0.247 1.689 -1.311 1.00 . A X . 13 LEU HB2 1 1 3 1078 1 1 13 LEU HB3 H -0.184 2.886 -2.517 1.00 . A X . 13 LEU HB3 1 1 3 1079 1 1 13 LEU HD11 H 2.626 2.351 -1.365 1.00 . A X . 13 LEU HD11 1 1 3 1080 1 1 13 LEU HD12 H 3.067 4.051 -1.205 1.00 . A X . 13 LEU HD12 1 1 3 1081 1 1 13 LEU HD13 H 2.227 3.490 -2.650 1.00 . A X . 13 LEU HD13 1 1 3 1082 1 1 13 LEU HD21 H 1.365 5.750 -0.764 1.00 . A X . 13 LEU HD21 1 1 3 1083 1 1 13 LEU HD22 H -0.336 5.307 -0.632 1.00 . A X . 13 LEU HD22 1 1 3 1084 1 1 13 LEU HD23 H 0.464 5.276 -2.204 1.00 . A X . 13 LEU HD23 1 1 3 1085 1 1 13 LEU HG H 1.101 3.493 0.147 1.00 . A X . 13 LEU HG 1 1 3 1086 1 1 13 LEU N N -1.416 2.564 0.622 1.00 . A X . 13 LEU N 1 1 3 1087 1 1 13 LEU O O -3.477 2.487 -2.070 1.00 . A X . 13 LEU O 1 1 3 1088 1 1 14 TRP C C -3.919 -1.077 -1.208 1.00 . A X . 14 TRP C 1 1 3 1089 1 1 14 TRP CA C -3.125 -0.251 -2.217 1.00 . A X . 14 TRP CA 1 1 3 1090 1 1 14 TRP CB C -2.282 -1.173 -3.108 1.00 . A X . 14 TRP CB 1 1 3 1091 1 1 14 TRP CD1 C -3.943 -2.996 -3.839 1.00 . A X . 14 TRP CD1 1 1 3 1092 1 1 14 TRP CD2 C -3.077 -1.807 -5.524 1.00 . A X . 14 TRP CD2 1 1 3 1093 1 1 14 TRP CE2 C -3.963 -2.763 -6.057 1.00 . A X . 14 TRP CE2 1 1 3 1094 1 1 14 TRP CE3 C -2.407 -0.944 -6.399 1.00 . A X . 14 TRP CE3 1 1 3 1095 1 1 14 TRP CG C -3.083 -1.969 -4.102 1.00 . A X . 14 TRP CG 1 1 3 1096 1 1 14 TRP CH2 C -3.527 -2.022 -8.258 1.00 . A X . 14 TRP CH2 1 1 3 1097 1 1 14 TRP CZ2 C -4.194 -2.880 -7.427 1.00 . A X . 14 TRP CZ2 1 1 3 1098 1 1 14 TRP CZ3 C -2.640 -1.060 -7.756 1.00 . A X . 14 TRP CZ3 1 1 3 1099 1 1 14 TRP H H -1.474 0.350 -1.039 1.00 . A X . 14 TRP H 1 1 3 1100 1 1 14 TRP HA H -3.812 0.310 -2.834 1.00 . A X . 14 TRP HA 1 1 3 1101 1 1 14 TRP HB2 H -1.571 -0.573 -3.658 1.00 . A X . 14 TRP HB2 1 1 3 1102 1 1 14 TRP HB3 H -1.742 -1.869 -2.480 1.00 . A X . 14 TRP HB3 1 1 3 1103 1 1 14 TRP HD1 H -4.167 -3.361 -2.848 1.00 . A X . 14 TRP HD1 1 1 3 1104 1 1 14 TRP HE1 H -5.134 -4.206 -5.081 1.00 . A X . 14 TRP HE1 1 1 3 1105 1 1 14 TRP HE3 H -1.722 -0.194 -6.030 1.00 . A X . 14 TRP HE3 1 1 3 1106 1 1 14 TRP HH2 H -3.677 -2.081 -9.328 1.00 . A X . 14 TRP HH2 1 1 3 1107 1 1 14 TRP HZ2 H -4.873 -3.613 -7.831 1.00 . A X . 14 TRP HZ2 1 1 3 1108 1 1 14 TRP HZ3 H -2.132 -0.404 -8.448 1.00 . A X . 14 TRP HZ3 1 1 3 1109 1 1 14 TRP N N -2.258 0.690 -1.530 1.00 . A X . 14 TRP N 1 1 3 1110 1 1 14 TRP NE1 N -4.483 -3.471 -5.009 1.00 . A X . 14 TRP NE1 1 1 3 1111 1 1 14 TRP O O -5.134 -1.226 -1.333 1.00 . A X . 14 TRP O 1 1 3 1112 1 1 15 LYS C C -5.041 -2.092 1.446 1.00 . A X . 15 LYS C 1 1 3 1113 1 1 15 LYS CA C -3.763 -2.556 0.745 1.00 . A X . 15 LYS CA 1 1 3 1114 1 1 15 LYS CB C -2.702 -2.923 1.785 1.00 . A X . 15 LYS CB 1 1 3 1115 1 1 15 LYS CD C -2.057 -4.312 3.772 1.00 . A X . 15 LYS CD 1 1 3 1116 1 1 15 LYS CE C -2.552 -5.256 4.855 1.00 . A X . 15 LYS CE 1 1 3 1117 1 1 15 LYS CG C -3.171 -3.941 2.807 1.00 . A X . 15 LYS CG 1 1 3 1118 1 1 15 LYS H H -2.305 -1.231 -0.036 1.00 . A X . 15 LYS H 1 1 3 1119 1 1 15 LYS HA H -3.994 -3.440 0.168 1.00 . A X . 15 LYS HA 1 1 3 1120 1 1 15 LYS HB2 H -1.841 -3.329 1.274 1.00 . A X . 15 LYS HB2 1 1 3 1121 1 1 15 LYS HB3 H -2.409 -2.026 2.309 1.00 . A X . 15 LYS HB3 1 1 3 1122 1 1 15 LYS HD2 H -1.262 -4.795 3.225 1.00 . A X . 15 LYS HD2 1 1 3 1123 1 1 15 LYS HD3 H -1.681 -3.412 4.238 1.00 . A X . 15 LYS HD3 1 1 3 1124 1 1 15 LYS HE2 H -2.952 -6.143 4.388 1.00 . A X . 15 LYS HE2 1 1 3 1125 1 1 15 LYS HE3 H -1.720 -5.527 5.488 1.00 . A X . 15 LYS HE3 1 1 3 1126 1 1 15 LYS HG2 H -3.994 -3.522 3.366 1.00 . A X . 15 LYS HG2 1 1 3 1127 1 1 15 LYS HG3 H -3.500 -4.832 2.291 1.00 . A X . 15 LYS HG3 1 1 3 1128 1 1 15 LYS HZ1 H -4.471 -4.469 5.125 1.00 . A X . 15 LYS HZ1 1 1 3 1129 1 1 15 LYS HZ2 H -3.280 -3.715 6.060 1.00 . A X . 15 LYS HZ2 1 1 3 1130 1 1 15 LYS HZ3 H -3.849 -5.250 6.495 1.00 . A X . 15 LYS HZ3 1 1 3 1131 1 1 15 LYS N N -3.221 -1.557 -0.180 1.00 . A X . 15 LYS N 1 1 3 1132 1 1 15 LYS NZ N -3.612 -4.631 5.688 1.00 . A X . 15 LYS NZ 1 1 3 1133 1 1 15 LYS O O -5.987 -2.863 1.591 1.00 . A X . 15 LYS O 1 1 3 1134 1 1 16 ALA C C -6.508 1.105 2.308 1.00 . A X . 16 ALA C 1 1 3 1135 1 1 16 ALA CA C -6.223 -0.350 2.633 1.00 . A X . 16 ALA CA 1 1 3 1136 1 1 16 ALA CB C -6.007 -0.534 4.128 1.00 . A X . 16 ALA CB 1 1 3 1137 1 1 16 ALA H H -4.318 -0.248 1.713 1.00 . A X . 16 ALA H 1 1 3 1138 1 1 16 ALA HA H -7.080 -0.942 2.341 1.00 . A X . 16 ALA HA 1 1 3 1139 1 1 16 ALA HB1 H -6.891 -0.218 4.661 1.00 . A X . 16 ALA HB1 1 1 3 1140 1 1 16 ALA HB2 H -5.163 0.059 4.446 1.00 . A X . 16 ALA HB2 1 1 3 1141 1 1 16 ALA HB3 H -5.815 -1.576 4.338 1.00 . A X . 16 ALA HB3 1 1 3 1142 1 1 16 ALA N N -5.073 -0.844 1.889 1.00 . A X . 16 ALA N 1 1 3 1143 1 1 16 ALA O O -6.816 1.906 3.189 1.00 . A X . 16 ALA O 1 1 3 1144 1 1 17 LEU C C -7.938 2.645 -0.383 1.00 . A X . 17 LEU C 1 1 3 1145 1 1 17 LEU CA C -6.772 2.768 0.582 1.00 . A X . 17 LEU CA 1 1 3 1146 1 1 17 LEU CB C -5.593 3.483 -0.080 1.00 . A X . 17 LEU CB 1 1 3 1147 1 1 17 LEU CD1 C -6.262 5.788 0.641 1.00 . A X . 17 LEU CD1 1 1 3 1148 1 1 17 LEU CD2 C -4.669 5.492 -1.256 1.00 . A X . 17 LEU CD2 1 1 3 1149 1 1 17 LEU CG C -5.877 4.915 -0.541 1.00 . A X . 17 LEU CG 1 1 3 1150 1 1 17 LEU H H -6.068 0.787 0.391 1.00 . A X . 17 LEU H 1 1 3 1151 1 1 17 LEU HA H -7.092 3.335 1.444 1.00 . A X . 17 LEU HA 1 1 3 1152 1 1 17 LEU HB2 H -4.774 3.511 0.624 1.00 . A X . 17 LEU HB2 1 1 3 1153 1 1 17 LEU HB3 H -5.286 2.908 -0.940 1.00 . A X . 17 LEU HB3 1 1 3 1154 1 1 17 LEU HD11 H -5.450 5.806 1.355 1.00 . A X . 17 LEU HD11 1 1 3 1155 1 1 17 LEU HD12 H -7.145 5.386 1.113 1.00 . A X . 17 LEU HD12 1 1 3 1156 1 1 17 LEU HD13 H -6.461 6.793 0.297 1.00 . A X . 17 LEU HD13 1 1 3 1157 1 1 17 LEU HD21 H -3.813 5.462 -0.598 1.00 . A X . 17 LEU HD21 1 1 3 1158 1 1 17 LEU HD22 H -4.872 6.513 -1.539 1.00 . A X . 17 LEU HD22 1 1 3 1159 1 1 17 LEU HD23 H -4.463 4.907 -2.140 1.00 . A X . 17 LEU HD23 1 1 3 1160 1 1 17 LEU HG H -6.706 4.906 -1.234 1.00 . A X . 17 LEU HG 1 1 3 1161 1 1 17 LEU N N -6.396 1.444 1.038 1.00 . A X . 17 LEU N 1 1 3 1162 1 1 17 LEU O O -9.076 2.952 -0.037 1.00 . A X . 17 LEU O 1 1 3 1163 1 1 18 ALA C C -9.659 0.839 -2.159 1.00 . A X . 18 ALA C 1 1 3 1164 1 1 18 ALA CA C -8.691 1.940 -2.580 1.00 . A X . 18 ALA CA 1 1 3 1165 1 1 18 ALA CB C -8.061 1.612 -3.927 1.00 . A X . 18 ALA CB 1 1 3 1166 1 1 18 ALA H H -6.733 1.892 -1.787 1.00 . A X . 18 ALA H 1 1 3 1167 1 1 18 ALA HA H -9.236 2.864 -2.680 1.00 . A X . 18 ALA HA 1 1 3 1168 1 1 18 ALA HB1 H -8.837 1.499 -4.669 1.00 . A X . 18 ALA HB1 1 1 3 1169 1 1 18 ALA HB2 H -7.503 0.691 -3.848 1.00 . A X . 18 ALA HB2 1 1 3 1170 1 1 18 ALA HB3 H -7.396 2.412 -4.220 1.00 . A X . 18 ALA HB3 1 1 3 1171 1 1 18 ALA N N -7.657 2.137 -1.574 1.00 . A X . 18 ALA N 1 1 3 1172 1 1 18 ALA O O -10.826 0.847 -2.539 1.00 . A X . 18 ALA O 1 1 3 1173 1 1 19 LEU C C -10.927 -0.857 0.220 1.00 . A X . 19 LEU C 1 1 3 1174 1 1 19 LEU CA C -9.978 -1.228 -0.918 1.00 . A X . 19 LEU CA 1 1 3 1175 1 1 19 LEU CB C -9.076 -2.389 -0.489 1.00 . A X . 19 LEU CB 1 1 3 1176 1 1 19 LEU CD1 C -7.347 -4.112 -1.047 1.00 . A X . 19 LEU CD1 1 1 3 1177 1 1 19 LEU CD2 C -8.931 -3.332 -2.808 1.00 . A X . 19 LEU CD2 1 1 3 1178 1 1 19 LEU CG C -8.143 -2.930 -1.574 1.00 . A X . 19 LEU CG 1 1 3 1179 1 1 19 LEU H H -8.257 -0.001 -1.000 1.00 . A X . 19 LEU H 1 1 3 1180 1 1 19 LEU HA H -10.566 -1.540 -1.769 1.00 . A X . 19 LEU HA 1 1 3 1181 1 1 19 LEU HB2 H -8.471 -2.056 0.342 1.00 . A X . 19 LEU HB2 1 1 3 1182 1 1 19 LEU HB3 H -9.703 -3.200 -0.151 1.00 . A X . 19 LEU HB3 1 1 3 1183 1 1 19 LEU HD11 H -6.703 -4.490 -1.827 1.00 . A X . 19 LEU HD11 1 1 3 1184 1 1 19 LEU HD12 H -8.025 -4.891 -0.732 1.00 . A X . 19 LEU HD12 1 1 3 1185 1 1 19 LEU HD13 H -6.748 -3.795 -0.207 1.00 . A X . 19 LEU HD13 1 1 3 1186 1 1 19 LEU HD21 H -9.461 -2.472 -3.190 1.00 . A X . 19 LEU HD21 1 1 3 1187 1 1 19 LEU HD22 H -9.639 -4.103 -2.546 1.00 . A X . 19 LEU HD22 1 1 3 1188 1 1 19 LEU HD23 H -8.254 -3.704 -3.562 1.00 . A X . 19 LEU HD23 1 1 3 1189 1 1 19 LEU HG H -7.444 -2.158 -1.858 1.00 . A X . 19 LEU HG 1 1 3 1190 1 1 19 LEU N N -9.174 -0.087 -1.335 1.00 . A X . 19 LEU N 1 1 3 1191 1 1 19 LEU O O -11.820 -1.628 0.568 1.00 . A X . 19 LEU O 1 1 3 1192 1 1 20 LYS C C -12.362 2.008 1.517 1.00 . A X . 20 LYS C 1 1 3 1193 1 1 20 LYS CA C -11.577 0.761 1.903 1.00 . A X . 20 LYS CA 1 1 3 1194 1 1 20 LYS CB C -10.730 1.027 3.150 1.00 . A X . 20 LYS CB 1 1 3 1195 1 1 20 LYS CD C -10.876 -1.334 4.018 1.00 . A X . 20 LYS CD 1 1 3 1196 1 1 20 LYS CE C -10.092 -2.566 4.446 1.00 . A X . 20 LYS CE 1 1 3 1197 1 1 20 LYS CG C -9.950 -0.193 3.628 1.00 . A X . 20 LYS CG 1 1 3 1198 1 1 20 LYS H H -10.012 0.900 0.481 1.00 . A X . 20 LYS H 1 1 3 1199 1 1 20 LYS HA H -12.280 -0.030 2.119 1.00 . A X . 20 LYS HA 1 1 3 1200 1 1 20 LYS HB2 H -10.026 1.814 2.928 1.00 . A X . 20 LYS HB2 1 1 3 1201 1 1 20 LYS HB3 H -11.379 1.350 3.951 1.00 . A X . 20 LYS HB3 1 1 3 1202 1 1 20 LYS HD2 H -11.501 -1.015 4.837 1.00 . A X . 20 LYS HD2 1 1 3 1203 1 1 20 LYS HD3 H -11.494 -1.591 3.170 1.00 . A X . 20 LYS HD3 1 1 3 1204 1 1 20 LYS HE2 H -9.521 -2.924 3.601 1.00 . A X . 20 LYS HE2 1 1 3 1205 1 1 20 LYS HE3 H -9.418 -2.291 5.244 1.00 . A X . 20 LYS HE3 1 1 3 1206 1 1 20 LYS HG2 H -9.302 -0.527 2.833 1.00 . A X . 20 LYS HG2 1 1 3 1207 1 1 20 LYS HG3 H -9.355 0.086 4.486 1.00 . A X . 20 LYS HG3 1 1 3 1208 1 1 20 LYS HZ1 H -11.580 -4.004 4.135 1.00 . A X . 20 LYS HZ1 1 1 3 1209 1 1 20 LYS HZ2 H -11.613 -3.299 5.676 1.00 . A X . 20 LYS HZ2 1 1 3 1210 1 1 20 LYS HZ3 H -10.424 -4.445 5.295 1.00 . A X . 20 LYS HZ3 1 1 3 1211 1 1 20 LYS N N -10.734 0.318 0.800 1.00 . A X . 20 LYS N 1 1 3 1212 1 1 20 LYS NZ N -10.987 -3.654 4.919 1.00 . A X . 20 LYS NZ 1 1 3 1213 1 1 20 LYS O O -13.453 2.253 2.037 1.00 . A X . 20 LYS O 1 1 3 1214 1 1 21 LEU C C -13.837 3.691 -0.460 1.00 . A X . 21 LEU C 1 1 3 1215 1 1 21 LEU CA C -12.446 3.991 0.096 1.00 . A X . 21 LEU CA 1 1 3 1216 1 1 21 LEU CB C -11.577 4.637 -0.990 1.00 . A X . 21 LEU CB 1 1 3 1217 1 1 21 LEU CD1 C -12.149 7.044 -0.538 1.00 . A X . 21 LEU CD1 1 1 3 1218 1 1 21 LEU CD2 C -11.274 6.363 -2.777 1.00 . A X . 21 LEU CD2 1 1 3 1219 1 1 21 LEU CG C -12.117 5.942 -1.585 1.00 . A X . 21 LEU CG 1 1 3 1220 1 1 21 LEU H H -10.923 2.534 0.236 1.00 . A X . 21 LEU H 1 1 3 1221 1 1 21 LEU HA H -12.541 4.677 0.923 1.00 . A X . 21 LEU HA 1 1 3 1222 1 1 21 LEU HB2 H -10.605 4.839 -0.563 1.00 . A X . 21 LEU HB2 1 1 3 1223 1 1 21 LEU HB3 H -11.455 3.926 -1.793 1.00 . A X . 21 LEU HB3 1 1 3 1224 1 1 21 LEU HD11 H -11.149 7.215 -0.166 1.00 . A X . 21 LEU HD11 1 1 3 1225 1 1 21 LEU HD12 H -12.791 6.747 0.278 1.00 . A X . 21 LEU HD12 1 1 3 1226 1 1 21 LEU HD13 H -12.529 7.952 -0.983 1.00 . A X . 21 LEU HD13 1 1 3 1227 1 1 21 LEU HD21 H -10.246 6.485 -2.466 1.00 . A X . 21 LEU HD21 1 1 3 1228 1 1 21 LEU HD22 H -11.644 7.299 -3.168 1.00 . A X . 21 LEU HD22 1 1 3 1229 1 1 21 LEU HD23 H -11.329 5.605 -3.545 1.00 . A X . 21 LEU HD23 1 1 3 1230 1 1 21 LEU HG H -13.128 5.782 -1.930 1.00 . A X . 21 LEU HG 1 1 3 1231 1 1 21 LEU N N -11.804 2.778 0.589 1.00 . A X . 21 LEU N 1 1 3 1232 1 1 21 LEU O O -14.785 4.448 -0.238 1.00 . A X . 21 LEU O 1 1 3 1233 1 1 22 LYS C C -15.989 1.210 -0.926 1.00 . A X . 22 LYS C 1 1 3 1234 1 1 22 LYS CA C -15.218 2.211 -1.790 1.00 . A X . 22 LYS CA 1 1 3 1235 1 1 22 LYS CB C -14.948 1.650 -3.189 1.00 . A X . 22 LYS CB 1 1 3 1236 1 1 22 LYS CD C -15.821 1.319 -5.522 1.00 . A X . 22 LYS CD 1 1 3 1237 1 1 22 LYS CE C -17.046 1.385 -6.422 1.00 . A X . 22 LYS CE 1 1 3 1238 1 1 22 LYS CG C -16.182 1.598 -4.074 1.00 . A X . 22 LYS CG 1 1 3 1239 1 1 22 LYS H H -13.187 1.983 -1.257 1.00 . A X . 22 LYS H 1 1 3 1240 1 1 22 LYS HA H -15.811 3.109 -1.883 1.00 . A X . 22 LYS HA 1 1 3 1241 1 1 22 LYS HB2 H -14.209 2.270 -3.673 1.00 . A X . 22 LYS HB2 1 1 3 1242 1 1 22 LYS HB3 H -14.557 0.647 -3.092 1.00 . A X . 22 LYS HB3 1 1 3 1243 1 1 22 LYS HD2 H -15.105 2.055 -5.855 1.00 . A X . 22 LYS HD2 1 1 3 1244 1 1 22 LYS HD3 H -15.387 0.331 -5.591 1.00 . A X . 22 LYS HD3 1 1 3 1245 1 1 22 LYS HE2 H -16.725 1.290 -7.448 1.00 . A X . 22 LYS HE2 1 1 3 1246 1 1 22 LYS HE3 H -17.703 0.565 -6.175 1.00 . A X . 22 LYS HE3 1 1 3 1247 1 1 22 LYS HG2 H -16.836 0.816 -3.720 1.00 . A X . 22 LYS HG2 1 1 3 1248 1 1 22 LYS HG3 H -16.691 2.549 -4.018 1.00 . A X . 22 LYS HG3 1 1 3 1249 1 1 22 LYS HZ1 H -18.414 2.820 -7.084 1.00 . A X . 22 LYS HZ1 1 1 3 1250 1 1 22 LYS HZ2 H -17.121 3.466 -6.196 1.00 . A X . 22 LYS HZ2 1 1 3 1251 1 1 22 LYS HZ3 H -18.371 2.641 -5.401 1.00 . A X . 22 LYS HZ3 1 1 3 1252 1 1 22 LYS N N -13.960 2.575 -1.158 1.00 . A X . 22 LYS N 1 1 3 1253 1 1 22 LYS NZ N -17.788 2.666 -6.266 1.00 . A X . 22 LYS NZ 1 1 3 1254 1 1 22 LYS O O -16.705 0.345 -1.433 1.00 . A X . 22 LYS O 1 1 3 1255 1 1 23 LYS C C -17.199 1.379 2.419 1.00 . A X . 23 LYS C 1 1 3 1256 1 1 23 LYS CA C -16.602 0.515 1.316 1.00 . A X . 23 LYS CA 1 1 3 1257 1 1 23 LYS CB C -15.749 -0.601 1.927 1.00 . A X . 23 LYS CB 1 1 3 1258 1 1 23 LYS CD C -14.716 -2.873 1.656 1.00 . A X . 23 LYS CD 1 1 3 1259 1 1 23 LYS CE C -14.398 -4.002 0.688 1.00 . A X . 23 LYS CE 1 1 3 1260 1 1 23 LYS CG C -15.391 -1.709 0.951 1.00 . A X . 23 LYS CG 1 1 3 1261 1 1 23 LYS H H -15.171 1.960 0.734 1.00 . A X . 23 LYS H 1 1 3 1262 1 1 23 LYS HA H -17.409 0.069 0.760 1.00 . A X . 23 LYS HA 1 1 3 1263 1 1 23 LYS HB2 H -14.834 -0.171 2.302 1.00 . A X . 23 LYS HB2 1 1 3 1264 1 1 23 LYS HB3 H -16.292 -1.041 2.750 1.00 . A X . 23 LYS HB3 1 1 3 1265 1 1 23 LYS HD2 H -13.798 -2.528 2.107 1.00 . A X . 23 LYS HD2 1 1 3 1266 1 1 23 LYS HD3 H -15.378 -3.248 2.424 1.00 . A X . 23 LYS HD3 1 1 3 1267 1 1 23 LYS HE2 H -13.936 -4.810 1.237 1.00 . A X . 23 LYS HE2 1 1 3 1268 1 1 23 LYS HE3 H -15.318 -4.351 0.246 1.00 . A X . 23 LYS HE3 1 1 3 1269 1 1 23 LYS HG2 H -16.292 -2.065 0.476 1.00 . A X . 23 LYS HG2 1 1 3 1270 1 1 23 LYS HG3 H -14.718 -1.314 0.204 1.00 . A X . 23 LYS HG3 1 1 3 1271 1 1 23 LYS HZ1 H -13.177 -4.382 -0.966 1.00 . A X . 23 LYS HZ1 1 1 3 1272 1 1 23 LYS HZ2 H -12.634 -3.110 0.015 1.00 . A X . 23 LYS HZ2 1 1 3 1273 1 1 23 LYS HZ3 H -13.958 -2.878 -1.017 1.00 . A X . 23 LYS HZ3 1 1 3 1274 1 1 23 LYS N N -15.829 1.323 0.385 1.00 . A X . 23 LYS N 1 1 3 1275 1 1 23 LYS NZ N -13.478 -3.564 -0.392 1.00 . A X . 23 LYS NZ 1 1 3 1276 1 1 23 LYS O O -18.404 1.341 2.661 1.00 . A X . 23 LYS O 1 1 3 1277 1 1 24 ALA C C -16.487 4.465 3.900 1.00 . A X . 24 ALA C 1 1 3 1278 1 1 24 ALA CA C -16.810 3.004 4.173 1.00 . A X . 24 ALA CA 1 1 3 1279 1 1 24 ALA CB C -16.179 2.553 5.481 1.00 . A X . 24 ALA CB 1 1 3 1280 1 1 24 ALA H H -15.410 2.176 2.823 1.00 . A X . 24 ALA H 1 1 3 1281 1 1 24 ALA HA H -17.880 2.891 4.259 1.00 . A X . 24 ALA HA 1 1 3 1282 1 1 24 ALA HB1 H -16.581 3.138 6.295 1.00 . A X . 24 ALA HB1 1 1 3 1283 1 1 24 ALA HB2 H -15.109 2.693 5.431 1.00 . A X . 24 ALA HB2 1 1 3 1284 1 1 24 ALA HB3 H -16.397 1.509 5.645 1.00 . A X . 24 ALA HB3 1 1 3 1285 1 1 24 ALA N N -16.357 2.162 3.079 1.00 . A X . 24 ALA N 1 1 3 1286 1 1 24 ALA O O -17.376 5.190 3.410 1.00 . A X . 24 ALA O 1 1 3 1287 1 1 24 ALA OXT O -15.338 4.882 4.167 1.00 . A X . 24 ALA OXT 1 1 4 1288 1 1 1 LYS C C 4.144 1.662 8.315 1.00 . A X . 1 LYS C 1 1 4 1289 1 1 1 LYS CA C 2.741 2.229 8.514 1.00 . A X . 1 LYS CA 1 1 4 1290 1 1 1 LYS CB C 2.543 3.504 7.679 1.00 . A X . 1 LYS CB 1 1 4 1291 1 1 1 LYS CD C 3.178 5.886 7.218 1.00 . A X . 1 LYS CD 1 1 4 1292 1 1 1 LYS CE C 3.993 7.089 7.668 1.00 . A X . 1 LYS CE 1 1 4 1293 1 1 1 LYS CG C 3.329 4.711 8.171 1.00 . A X . 1 LYS CG 1 1 4 1294 1 1 1 LYS H1 H 3.205 3.138 10.332 1.00 . A X . 1 LYS H1 1 1 4 1295 1 1 1 LYS H2 H 2.490 1.609 10.484 1.00 . A X . 1 LYS H2 1 1 4 1296 1 1 1 LYS H3 H 1.540 2.948 10.059 1.00 . A X . 1 LYS H3 1 1 4 1297 1 1 1 LYS HA H 2.033 1.482 8.181 1.00 . A X . 1 LYS HA 1 1 4 1298 1 1 1 LYS HB2 H 2.846 3.303 6.664 1.00 . A X . 1 LYS HB2 1 1 4 1299 1 1 1 LYS HB3 H 1.494 3.761 7.687 1.00 . A X . 1 LYS HB3 1 1 4 1300 1 1 1 LYS HD2 H 3.512 5.584 6.237 1.00 . A X . 1 LYS HD2 1 1 4 1301 1 1 1 LYS HD3 H 2.135 6.165 7.172 1.00 . A X . 1 LYS HD3 1 1 4 1302 1 1 1 LYS HE2 H 5.012 6.772 7.830 1.00 . A X . 1 LYS HE2 1 1 4 1303 1 1 1 LYS HE3 H 3.971 7.835 6.888 1.00 . A X . 1 LYS HE3 1 1 4 1304 1 1 1 LYS HG2 H 2.961 5.000 9.145 1.00 . A X . 1 LYS HG2 1 1 4 1305 1 1 1 LYS HG3 H 4.372 4.445 8.241 1.00 . A X . 1 LYS HG3 1 1 4 1306 1 1 1 LYS HZ1 H 3.644 7.053 9.733 1.00 . A X . 1 LYS HZ1 1 1 4 1307 1 1 1 LYS HZ2 H 2.447 7.859 8.843 1.00 . A X . 1 LYS HZ2 1 1 4 1308 1 1 1 LYS HZ3 H 3.948 8.603 9.109 1.00 . A X . 1 LYS HZ3 1 1 4 1309 1 1 1 LYS N N 2.477 2.498 9.944 1.00 . A X . 1 LYS N 1 1 4 1310 1 1 1 LYS NZ N 3.473 7.690 8.926 1.00 . A X . 1 LYS NZ 1 1 4 1311 1 1 1 LYS O O 4.959 2.215 7.578 1.00 . A X . 1 LYS O 1 1 4 1312 1 1 2 LYS C C 5.529 -1.263 7.789 1.00 . A X . 2 LYS C 1 1 4 1313 1 1 2 LYS CA C 5.688 -0.137 8.800 1.00 . A X . 2 LYS CA 1 1 4 1314 1 1 2 LYS CB C 6.202 -0.708 10.124 1.00 . A X . 2 LYS CB 1 1 4 1315 1 1 2 LYS CD C 7.035 -0.306 12.451 1.00 . A X . 2 LYS CD 1 1 4 1316 1 1 2 LYS CE C 7.338 0.723 13.528 1.00 . A X . 2 LYS CE 1 1 4 1317 1 1 2 LYS CG C 6.524 0.343 11.175 1.00 . A X . 2 LYS CG 1 1 4 1318 1 1 2 LYS H H 3.747 0.170 9.586 1.00 . A X . 2 LYS H 1 1 4 1319 1 1 2 LYS HA H 6.403 0.577 8.421 1.00 . A X . 2 LYS HA 1 1 4 1320 1 1 2 LYS HB2 H 5.451 -1.370 10.530 1.00 . A X . 2 LYS HB2 1 1 4 1321 1 1 2 LYS HB3 H 7.100 -1.277 9.929 1.00 . A X . 2 LYS HB3 1 1 4 1322 1 1 2 LYS HD2 H 6.282 -0.984 12.822 1.00 . A X . 2 LYS HD2 1 1 4 1323 1 1 2 LYS HD3 H 7.937 -0.855 12.225 1.00 . A X . 2 LYS HD3 1 1 4 1324 1 1 2 LYS HE2 H 7.696 0.210 14.408 1.00 . A X . 2 LYS HE2 1 1 4 1325 1 1 2 LYS HE3 H 8.105 1.391 13.164 1.00 . A X . 2 LYS HE3 1 1 4 1326 1 1 2 LYS HG2 H 7.284 1.008 10.789 1.00 . A X . 2 LYS HG2 1 1 4 1327 1 1 2 LYS HG3 H 5.627 0.902 11.396 1.00 . A X . 2 LYS HG3 1 1 4 1328 1 1 2 LYS HZ1 H 6.350 2.159 14.684 1.00 . A X . 2 LYS HZ1 1 1 4 1329 1 1 2 LYS HZ2 H 5.356 0.883 14.168 1.00 . A X . 2 LYS HZ2 1 1 4 1330 1 1 2 LYS HZ3 H 5.828 2.088 13.075 1.00 . A X . 2 LYS HZ3 1 1 4 1331 1 1 2 LYS N N 4.421 0.549 8.977 1.00 . A X . 2 LYS N 1 1 4 1332 1 1 2 LYS NZ N 6.135 1.518 13.888 1.00 . A X . 2 LYS NZ 1 1 4 1333 1 1 2 LYS O O 5.886 -1.119 6.622 1.00 . A X . 2 LYS O 1 1 4 1334 1 1 3 LEU C C 3.530 -3.538 6.598 1.00 . A X . 3 LEU C 1 1 4 1335 1 1 3 LEU CA C 4.819 -3.554 7.411 1.00 . A X . 3 LEU CA 1 1 4 1336 1 1 3 LEU CB C 4.880 -4.803 8.292 1.00 . A X . 3 LEU CB 1 1 4 1337 1 1 3 LEU CD1 C 6.070 -6.130 10.056 1.00 . A X . 3 LEU CD1 1 1 4 1338 1 1 3 LEU CD2 C 7.364 -5.103 8.180 1.00 . A X . 3 LEU CD2 1 1 4 1339 1 1 3 LEU CG C 6.166 -4.950 9.104 1.00 . A X . 3 LEU CG 1 1 4 1340 1 1 3 LEU H H 4.565 -2.372 9.148 1.00 . A X . 3 LEU H 1 1 4 1341 1 1 3 LEU HA H 5.658 -3.567 6.730 1.00 . A X . 3 LEU HA 1 1 4 1342 1 1 3 LEU HB2 H 4.046 -4.778 8.979 1.00 . A X . 3 LEU HB2 1 1 4 1343 1 1 3 LEU HB3 H 4.780 -5.672 7.660 1.00 . A X . 3 LEU HB3 1 1 4 1344 1 1 3 LEU HD11 H 5.935 -7.038 9.489 1.00 . A X . 3 LEU HD11 1 1 4 1345 1 1 3 LEU HD12 H 5.226 -5.989 10.716 1.00 . A X . 3 LEU HD12 1 1 4 1346 1 1 3 LEU HD13 H 6.976 -6.199 10.640 1.00 . A X . 3 LEU HD13 1 1 4 1347 1 1 3 LEU HD21 H 8.259 -5.230 8.770 1.00 . A X . 3 LEU HD21 1 1 4 1348 1 1 3 LEU HD22 H 7.459 -4.221 7.567 1.00 . A X . 3 LEU HD22 1 1 4 1349 1 1 3 LEU HD23 H 7.223 -5.968 7.548 1.00 . A X . 3 LEU HD23 1 1 4 1350 1 1 3 LEU HG H 6.312 -4.060 9.697 1.00 . A X . 3 LEU HG 1 1 4 1351 1 1 3 LEU N N 4.937 -2.362 8.236 1.00 . A X . 3 LEU N 1 1 4 1352 1 1 3 LEU O O 3.333 -4.377 5.719 1.00 . A X . 3 LEU O 1 1 4 1353 1 1 4 LYS C C 1.626 -1.474 4.979 1.00 . A X . 4 LYS C 1 1 4 1354 1 1 4 LYS CA C 1.415 -2.445 6.136 1.00 . A X . 4 LYS CA 1 1 4 1355 1 1 4 LYS CB C 0.277 -1.957 7.039 1.00 . A X . 4 LYS CB 1 1 4 1356 1 1 4 LYS CD C -1.322 -3.809 6.525 1.00 . A X . 4 LYS CD 1 1 4 1357 1 1 4 LYS CE C -2.653 -4.202 5.904 1.00 . A X . 4 LYS CE 1 1 4 1358 1 1 4 LYS CG C -1.101 -2.306 6.503 1.00 . A X . 4 LYS CG 1 1 4 1359 1 1 4 LYS H H 2.837 -1.971 7.632 1.00 . A X . 4 LYS H 1 1 4 1360 1 1 4 LYS HA H 1.159 -3.414 5.735 1.00 . A X . 4 LYS HA 1 1 4 1361 1 1 4 LYS HB2 H 0.385 -2.408 8.014 1.00 . A X . 4 LYS HB2 1 1 4 1362 1 1 4 LYS HB3 H 0.342 -0.882 7.136 1.00 . A X . 4 LYS HB3 1 1 4 1363 1 1 4 LYS HD2 H -0.528 -4.288 5.970 1.00 . A X . 4 LYS HD2 1 1 4 1364 1 1 4 LYS HD3 H -1.299 -4.151 7.549 1.00 . A X . 4 LYS HD3 1 1 4 1365 1 1 4 LYS HE2 H -3.437 -3.614 6.358 1.00 . A X . 4 LYS HE2 1 1 4 1366 1 1 4 LYS HE3 H -2.618 -3.999 4.844 1.00 . A X . 4 LYS HE3 1 1 4 1367 1 1 4 LYS HG2 H -1.851 -1.829 7.115 1.00 . A X . 4 LYS HG2 1 1 4 1368 1 1 4 LYS HG3 H -1.181 -1.954 5.487 1.00 . A X . 4 LYS HG3 1 1 4 1369 1 1 4 LYS HZ1 H -3.805 -5.921 5.603 1.00 . A X . 4 LYS HZ1 1 1 4 1370 1 1 4 LYS HZ2 H -3.074 -5.832 7.129 1.00 . A X . 4 LYS HZ2 1 1 4 1371 1 1 4 LYS HZ3 H -2.144 -6.225 5.767 1.00 . A X . 4 LYS HZ3 1 1 4 1372 1 1 4 LYS N N 2.653 -2.586 6.891 1.00 . A X . 4 LYS N 1 1 4 1373 1 1 4 LYS NZ N -2.940 -5.644 6.113 1.00 . A X . 4 LYS NZ 1 1 4 1374 1 1 4 LYS O O 0.906 -1.503 3.982 1.00 . A X . 4 LYS O 1 1 4 1375 1 1 5 LEU C C 3.974 -0.341 3.112 1.00 . A X . 5 LEU C 1 1 4 1376 1 1 5 LEU CA C 2.983 0.316 4.062 1.00 . A X . 5 LEU CA 1 1 4 1377 1 1 5 LEU CB C 3.591 1.587 4.665 1.00 . A X . 5 LEU CB 1 1 4 1378 1 1 5 LEU CD1 C 2.700 3.247 3.008 1.00 . A X . 5 LEU CD1 1 1 4 1379 1 1 5 LEU CD2 C 4.739 3.793 4.341 1.00 . A X . 5 LEU CD2 1 1 4 1380 1 1 5 LEU CG C 3.952 2.685 3.662 1.00 . A X . 5 LEU CG 1 1 4 1381 1 1 5 LEU H H 3.149 -0.624 5.942 1.00 . A X . 5 LEU H 1 1 4 1382 1 1 5 LEU HA H 2.087 0.572 3.517 1.00 . A X . 5 LEU HA 1 1 4 1383 1 1 5 LEU HB2 H 2.885 1.995 5.371 1.00 . A X . 5 LEU HB2 1 1 4 1384 1 1 5 LEU HB3 H 4.488 1.312 5.199 1.00 . A X . 5 LEU HB3 1 1 4 1385 1 1 5 LEU HD11 H 2.200 2.463 2.459 1.00 . A X . 5 LEU HD11 1 1 4 1386 1 1 5 LEU HD12 H 2.971 4.043 2.332 1.00 . A X . 5 LEU HD12 1 1 4 1387 1 1 5 LEU HD13 H 2.038 3.630 3.770 1.00 . A X . 5 LEU HD13 1 1 4 1388 1 1 5 LEU HD21 H 5.644 3.383 4.765 1.00 . A X . 5 LEU HD21 1 1 4 1389 1 1 5 LEU HD22 H 4.142 4.233 5.124 1.00 . A X . 5 LEU HD22 1 1 4 1390 1 1 5 LEU HD23 H 4.991 4.551 3.613 1.00 . A X . 5 LEU HD23 1 1 4 1391 1 1 5 LEU HG H 4.573 2.262 2.885 1.00 . A X . 5 LEU HG 1 1 4 1392 1 1 5 LEU N N 2.628 -0.620 5.116 1.00 . A X . 5 LEU N 1 1 4 1393 1 1 5 LEU O O 3.938 -0.126 1.900 1.00 . A X . 5 LEU O 1 1 4 1394 1 1 6 ALA C C 5.312 -3.109 2.210 1.00 . A X . 6 ALA C 1 1 4 1395 1 1 6 ALA CA C 5.862 -1.866 2.906 1.00 . A X . 6 ALA CA 1 1 4 1396 1 1 6 ALA CB C 7.033 -2.235 3.805 1.00 . A X . 6 ALA CB 1 1 4 1397 1 1 6 ALA H H 4.781 -1.330 4.647 1.00 . A X . 6 ALA H 1 1 4 1398 1 1 6 ALA HA H 6.222 -1.180 2.155 1.00 . A X . 6 ALA HA 1 1 4 1399 1 1 6 ALA HB1 H 7.449 -1.339 4.243 1.00 . A X . 6 ALA HB1 1 1 4 1400 1 1 6 ALA HB2 H 7.792 -2.735 3.220 1.00 . A X . 6 ALA HB2 1 1 4 1401 1 1 6 ALA HB3 H 6.691 -2.894 4.589 1.00 . A X . 6 ALA HB3 1 1 4 1402 1 1 6 ALA N N 4.833 -1.178 3.678 1.00 . A X . 6 ALA N 1 1 4 1403 1 1 6 ALA O O 6.067 -4.010 1.853 1.00 . A X . 6 ALA O 1 1 4 1404 1 1 7 LEU C C 3.795 -4.193 -0.181 1.00 . A X . 7 LEU C 1 1 4 1405 1 1 7 LEU CA C 3.377 -4.247 1.281 1.00 . A X . 7 LEU CA 1 1 4 1406 1 1 7 LEU CB C 1.849 -4.172 1.386 1.00 . A X . 7 LEU CB 1 1 4 1407 1 1 7 LEU CD1 C -0.248 -4.315 2.751 1.00 . A X . 7 LEU CD1 1 1 4 1408 1 1 7 LEU CD2 C 1.637 -5.894 3.197 1.00 . A X . 7 LEU CD2 1 1 4 1409 1 1 7 LEU CG C 1.265 -4.482 2.767 1.00 . A X . 7 LEU CG 1 1 4 1410 1 1 7 LEU H H 3.439 -2.420 2.350 1.00 . A X . 7 LEU H 1 1 4 1411 1 1 7 LEU HA H 3.720 -5.176 1.710 1.00 . A X . 7 LEU HA 1 1 4 1412 1 1 7 LEU HB2 H 1.545 -3.174 1.106 1.00 . A X . 7 LEU HB2 1 1 4 1413 1 1 7 LEU HB3 H 1.428 -4.868 0.678 1.00 . A X . 7 LEU HB3 1 1 4 1414 1 1 7 LEU HD11 H -0.678 -4.999 2.034 1.00 . A X . 7 LEU HD11 1 1 4 1415 1 1 7 LEU HD12 H -0.494 -3.302 2.473 1.00 . A X . 7 LEU HD12 1 1 4 1416 1 1 7 LEU HD13 H -0.643 -4.525 3.734 1.00 . A X . 7 LEU HD13 1 1 4 1417 1 1 7 LEU HD21 H 2.712 -5.991 3.224 1.00 . A X . 7 LEU HD21 1 1 4 1418 1 1 7 LEU HD22 H 1.229 -6.604 2.490 1.00 . A X . 7 LEU HD22 1 1 4 1419 1 1 7 LEU HD23 H 1.234 -6.090 4.180 1.00 . A X . 7 LEU HD23 1 1 4 1420 1 1 7 LEU HG H 1.673 -3.789 3.490 1.00 . A X . 7 LEU HG 1 1 4 1421 1 1 7 LEU N N 3.998 -3.150 2.010 1.00 . A X . 7 LEU N 1 1 4 1422 1 1 7 LEU O O 4.235 -5.189 -0.759 1.00 . A X . 7 LEU O 1 1 4 1423 1 1 8 ALA C C 4.500 -1.366 -2.396 1.00 . A X . 8 ALA C 1 1 4 1424 1 1 8 ALA CA C 4.033 -2.802 -2.154 1.00 . A X . 8 ALA CA 1 1 4 1425 1 1 8 ALA CB C 2.868 -3.140 -3.074 1.00 . A X . 8 ALA CB 1 1 4 1426 1 1 8 ALA H H 3.301 -2.272 -0.248 1.00 . A X . 8 ALA H 1 1 4 1427 1 1 8 ALA HA H 4.845 -3.476 -2.382 1.00 . A X . 8 ALA HA 1 1 4 1428 1 1 8 ALA HB1 H 2.521 -4.142 -2.865 1.00 . A X . 8 ALA HB1 1 1 4 1429 1 1 8 ALA HB2 H 3.195 -3.082 -4.102 1.00 . A X . 8 ALA HB2 1 1 4 1430 1 1 8 ALA HB3 H 2.063 -2.438 -2.911 1.00 . A X . 8 ALA HB3 1 1 4 1431 1 1 8 ALA N N 3.659 -3.015 -0.765 1.00 . A X . 8 ALA N 1 1 4 1432 1 1 8 ALA O O 5.145 -1.090 -3.407 1.00 . A X . 8 ALA O 1 1 4 1433 1 1 9 LYS C C 3.779 1.690 -2.648 1.00 . A X . 9 LYS C 1 1 4 1434 1 1 9 LYS CA C 4.541 0.961 -1.538 1.00 . A X . 9 LYS CA 1 1 4 1435 1 1 9 LYS CB C 6.050 1.129 -1.763 1.00 . A X . 9 LYS CB 1 1 4 1436 1 1 9 LYS CD C 8.391 0.674 -1.018 1.00 . A X . 9 LYS CD 1 1 4 1437 1 1 9 LYS CE C 9.287 0.014 0.015 1.00 . A X . 9 LYS CE 1 1 4 1438 1 1 9 LYS CG C 6.920 0.533 -0.668 1.00 . A X . 9 LYS CG 1 1 4 1439 1 1 9 LYS H H 3.638 -0.755 -0.693 1.00 . A X . 9 LYS H 1 1 4 1440 1 1 9 LYS HA H 4.281 1.417 -0.593 1.00 . A X . 9 LYS HA 1 1 4 1441 1 1 9 LYS HB2 H 6.313 0.652 -2.695 1.00 . A X . 9 LYS HB2 1 1 4 1442 1 1 9 LYS HB3 H 6.274 2.183 -1.836 1.00 . A X . 9 LYS HB3 1 1 4 1443 1 1 9 LYS HD2 H 8.568 0.208 -1.976 1.00 . A X . 9 LYS HD2 1 1 4 1444 1 1 9 LYS HD3 H 8.637 1.724 -1.075 1.00 . A X . 9 LYS HD3 1 1 4 1445 1 1 9 LYS HE2 H 9.141 0.504 0.965 1.00 . A X . 9 LYS HE2 1 1 4 1446 1 1 9 LYS HE3 H 9.013 -1.027 0.099 1.00 . A X . 9 LYS HE3 1 1 4 1447 1 1 9 LYS HG2 H 6.726 1.051 0.260 1.00 . A X . 9 LYS HG2 1 1 4 1448 1 1 9 LYS HG3 H 6.681 -0.515 -0.558 1.00 . A X . 9 LYS HG3 1 1 4 1449 1 1 9 LYS HZ1 H 11.014 1.110 -0.414 1.00 . A X . 9 LYS HZ1 1 1 4 1450 1 1 9 LYS HZ2 H 10.874 -0.328 -1.301 1.00 . A X . 9 LYS HZ2 1 1 4 1451 1 1 9 LYS HZ3 H 11.316 -0.382 0.336 1.00 . A X . 9 LYS HZ3 1 1 4 1452 1 1 9 LYS N N 4.161 -0.460 -1.462 1.00 . A X . 9 LYS N 1 1 4 1453 1 1 9 LYS NZ N 10.720 0.110 -0.365 1.00 . A X . 9 LYS NZ 1 1 4 1454 1 1 9 LYS O O 2.995 2.600 -2.384 1.00 . A X . 9 LYS O 1 1 4 1455 1 1 10 LEU C C 2.043 1.446 -5.381 1.00 . A X . 10 LEU C 1 1 4 1456 1 1 10 LEU CA C 3.450 1.937 -5.051 1.00 . A X . 10 LEU CA 1 1 4 1457 1 1 10 LEU CB C 4.390 1.738 -6.254 1.00 . A X . 10 LEU CB 1 1 4 1458 1 1 10 LEU CD1 C 3.819 -0.591 -7.060 1.00 . A X . 10 LEU CD1 1 1 4 1459 1 1 10 LEU CD2 C 6.128 0.312 -7.374 1.00 . A X . 10 LEU CD2 1 1 4 1460 1 1 10 LEU CG C 4.901 0.307 -6.476 1.00 . A X . 10 LEU CG 1 1 4 1461 1 1 10 LEU H H 4.561 0.466 -4.013 1.00 . A X . 10 LEU H 1 1 4 1462 1 1 10 LEU HA H 3.397 2.990 -4.827 1.00 . A X . 10 LEU HA 1 1 4 1463 1 1 10 LEU HB2 H 3.868 2.049 -7.147 1.00 . A X . 10 LEU HB2 1 1 4 1464 1 1 10 LEU HB3 H 5.247 2.381 -6.119 1.00 . A X . 10 LEU HB3 1 1 4 1465 1 1 10 LEU HD11 H 4.194 -1.599 -7.150 1.00 . A X . 10 LEU HD11 1 1 4 1466 1 1 10 LEU HD12 H 3.537 -0.227 -8.037 1.00 . A X . 10 LEU HD12 1 1 4 1467 1 1 10 LEU HD13 H 2.956 -0.584 -6.411 1.00 . A X . 10 LEU HD13 1 1 4 1468 1 1 10 LEU HD21 H 6.903 0.914 -6.921 1.00 . A X . 10 LEU HD21 1 1 4 1469 1 1 10 LEU HD22 H 5.867 0.725 -8.337 1.00 . A X . 10 LEU HD22 1 1 4 1470 1 1 10 LEU HD23 H 6.483 -0.699 -7.499 1.00 . A X . 10 LEU HD23 1 1 4 1471 1 1 10 LEU HG H 5.194 -0.109 -5.522 1.00 . A X . 10 LEU HG 1 1 4 1472 1 1 10 LEU N N 4.004 1.266 -3.882 1.00 . A X . 10 LEU N 1 1 4 1473 1 1 10 LEU O O 1.479 1.815 -6.411 1.00 . A X . 10 LEU O 1 1 4 1474 1 1 11 ALA C C -0.836 0.425 -3.667 1.00 . A X . 11 ALA C 1 1 4 1475 1 1 11 ALA CA C 0.161 0.051 -4.762 1.00 . A X . 11 ALA CA 1 1 4 1476 1 1 11 ALA CB C 0.267 -1.459 -4.893 1.00 . A X . 11 ALA CB 1 1 4 1477 1 1 11 ALA H H 1.943 0.409 -3.677 1.00 . A X . 11 ALA H 1 1 4 1478 1 1 11 ALA HA H -0.194 0.445 -5.704 1.00 . A X . 11 ALA HA 1 1 4 1479 1 1 11 ALA HB1 H 0.566 -1.882 -3.946 1.00 . A X . 11 ALA HB1 1 1 4 1480 1 1 11 ALA HB2 H 1.002 -1.703 -5.644 1.00 . A X . 11 ALA HB2 1 1 4 1481 1 1 11 ALA HB3 H -0.693 -1.863 -5.184 1.00 . A X . 11 ALA HB3 1 1 4 1482 1 1 11 ALA N N 1.473 0.626 -4.509 1.00 . A X . 11 ALA N 1 1 4 1483 1 1 11 ALA O O -1.068 -0.343 -2.738 1.00 . A X . 11 ALA O 1 1 4 1484 1 1 12 PRO C C -3.771 1.431 -2.915 1.00 . A X . 12 PRO C 1 1 4 1485 1 1 12 PRO CA C -2.412 2.113 -2.789 1.00 . A X . 12 PRO CA 1 1 4 1486 1 1 12 PRO CB C -2.542 3.612 -3.113 1.00 . A X . 12 PRO CB 1 1 4 1487 1 1 12 PRO CD C -1.225 2.600 -4.840 1.00 . A X . 12 PRO CD 1 1 4 1488 1 1 12 PRO CG C -1.497 3.901 -4.143 1.00 . A X . 12 PRO CG 1 1 4 1489 1 1 12 PRO HA H -2.046 1.992 -1.780 1.00 . A X . 12 PRO HA 1 1 4 1490 1 1 12 PRO HB2 H -3.531 3.812 -3.492 1.00 . A X . 12 PRO HB2 1 1 4 1491 1 1 12 PRO HB3 H -2.375 4.189 -2.214 1.00 . A X . 12 PRO HB3 1 1 4 1492 1 1 12 PRO HD2 H -1.919 2.451 -5.653 1.00 . A X . 12 PRO HD2 1 1 4 1493 1 1 12 PRO HD3 H -0.205 2.566 -5.196 1.00 . A X . 12 PRO HD3 1 1 4 1494 1 1 12 PRO HG2 H -1.868 4.633 -4.848 1.00 . A X . 12 PRO HG2 1 1 4 1495 1 1 12 PRO HG3 H -0.601 4.264 -3.665 1.00 . A X . 12 PRO HG3 1 1 4 1496 1 1 12 PRO N N -1.444 1.619 -3.772 1.00 . A X . 12 PRO N 1 1 4 1497 1 1 12 PRO O O -4.578 1.459 -1.983 1.00 . A X . 12 PRO O 1 1 4 1498 1 1 13 LEU C C -5.667 -0.854 -3.273 1.00 . A X . 13 LEU C 1 1 4 1499 1 1 13 LEU CA C -5.287 0.160 -4.352 1.00 . A X . 13 LEU CA 1 1 4 1500 1 1 13 LEU CB C -5.272 -0.509 -5.738 1.00 . A X . 13 LEU CB 1 1 4 1501 1 1 13 LEU CD1 C -4.461 -2.458 -7.089 1.00 . A X . 13 LEU CD1 1 1 4 1502 1 1 13 LEU CD2 C -2.886 -0.623 -6.523 1.00 . A X . 13 LEU CD2 1 1 4 1503 1 1 13 LEU CG C -4.081 -1.431 -6.036 1.00 . A X . 13 LEU CG 1 1 4 1504 1 1 13 LEU H H -3.298 0.773 -4.739 1.00 . A X . 13 LEU H 1 1 4 1505 1 1 13 LEU HA H -6.037 0.936 -4.358 1.00 . A X . 13 LEU HA 1 1 4 1506 1 1 13 LEU HB2 H -6.177 -1.089 -5.837 1.00 . A X . 13 LEU HB2 1 1 4 1507 1 1 13 LEU HB3 H -5.286 0.268 -6.485 1.00 . A X . 13 LEU HB3 1 1 4 1508 1 1 13 LEU HD11 H -5.279 -3.063 -6.726 1.00 . A X . 13 LEU HD11 1 1 4 1509 1 1 13 LEU HD12 H -3.611 -3.090 -7.297 1.00 . A X . 13 LEU HD12 1 1 4 1510 1 1 13 LEU HD13 H -4.763 -1.950 -7.993 1.00 . A X . 13 LEU HD13 1 1 4 1511 1 1 13 LEU HD21 H -2.062 -1.288 -6.734 1.00 . A X . 13 LEU HD21 1 1 4 1512 1 1 13 LEU HD22 H -2.594 0.082 -5.758 1.00 . A X . 13 LEU HD22 1 1 4 1513 1 1 13 LEU HD23 H -3.156 -0.088 -7.421 1.00 . A X . 13 LEU HD23 1 1 4 1514 1 1 13 LEU HG H -3.797 -1.955 -5.136 1.00 . A X . 13 LEU HG 1 1 4 1515 1 1 13 LEU N N -4.006 0.803 -4.063 1.00 . A X . 13 LEU N 1 1 4 1516 1 1 13 LEU O O -6.804 -0.874 -2.804 1.00 . A X . 13 LEU O 1 1 4 1517 1 1 14 TRP C C -4.182 -2.386 -0.578 1.00 . A X . 14 TRP C 1 1 4 1518 1 1 14 TRP CA C -4.981 -2.679 -1.838 1.00 . A X . 14 TRP CA 1 1 4 1519 1 1 14 TRP CB C -4.698 -4.095 -2.361 1.00 . A X . 14 TRP CB 1 1 4 1520 1 1 14 TRP CD1 C -2.746 -4.004 -4.023 1.00 . A X . 14 TRP CD1 1 1 4 1521 1 1 14 TRP CD2 C -2.239 -4.968 -2.068 1.00 . A X . 14 TRP CD2 1 1 4 1522 1 1 14 TRP CE2 C -1.096 -4.988 -2.887 1.00 . A X . 14 TRP CE2 1 1 4 1523 1 1 14 TRP CE3 C -2.159 -5.519 -0.788 1.00 . A X . 14 TRP CE3 1 1 4 1524 1 1 14 TRP CG C -3.286 -4.329 -2.811 1.00 . A X . 14 TRP CG 1 1 4 1525 1 1 14 TRP CH2 C 0.161 -6.072 -1.212 1.00 . A X . 14 TRP CH2 1 1 4 1526 1 1 14 TRP CZ2 C 0.112 -5.537 -2.468 1.00 . A X . 14 TRP CZ2 1 1 4 1527 1 1 14 TRP CZ3 C -0.961 -6.069 -0.374 1.00 . A X . 14 TRP CZ3 1 1 4 1528 1 1 14 TRP H H -3.810 -1.597 -3.227 1.00 . A X . 14 TRP H 1 1 4 1529 1 1 14 TRP HA H -6.031 -2.607 -1.590 1.00 . A X . 14 TRP HA 1 1 4 1530 1 1 14 TRP HB2 H -4.915 -4.805 -1.577 1.00 . A X . 14 TRP HB2 1 1 4 1531 1 1 14 TRP HB3 H -5.349 -4.290 -3.200 1.00 . A X . 14 TRP HB3 1 1 4 1532 1 1 14 TRP HD1 H -3.287 -3.509 -4.815 1.00 . A X . 14 TRP HD1 1 1 4 1533 1 1 14 TRP HE1 H -0.822 -4.268 -4.846 1.00 . A X . 14 TRP HE1 1 1 4 1534 1 1 14 TRP HE3 H -3.013 -5.522 -0.128 1.00 . A X . 14 TRP HE3 1 1 4 1535 1 1 14 TRP HH2 H 1.077 -6.512 -0.848 1.00 . A X . 14 TRP HH2 1 1 4 1536 1 1 14 TRP HZ2 H 0.987 -5.550 -3.104 1.00 . A X . 14 TRP HZ2 1 1 4 1537 1 1 14 TRP HZ3 H -0.882 -6.499 0.610 1.00 . A X . 14 TRP HZ3 1 1 4 1538 1 1 14 TRP N N -4.711 -1.676 -2.856 1.00 . A X . 14 TRP N 1 1 4 1539 1 1 14 TRP NE1 N -1.430 -4.394 -4.075 1.00 . A X . 14 TRP NE1 1 1 4 1540 1 1 14 TRP O O -4.107 -3.206 0.335 1.00 . A X . 14 TRP O 1 1 4 1541 1 1 15 LYS C C -3.870 -0.079 1.636 1.00 . A X . 15 LYS C 1 1 4 1542 1 1 15 LYS CA C -2.890 -0.727 0.658 1.00 . A X . 15 LYS CA 1 1 4 1543 1 1 15 LYS CB C -1.797 0.268 0.244 1.00 . A X . 15 LYS CB 1 1 4 1544 1 1 15 LYS CD C 0.284 1.551 0.841 1.00 . A X . 15 LYS CD 1 1 4 1545 1 1 15 LYS CE C -0.323 2.913 0.530 1.00 . A X . 15 LYS CE 1 1 4 1546 1 1 15 LYS CG C -0.766 0.562 1.328 1.00 . A X . 15 LYS CG 1 1 4 1547 1 1 15 LYS H H -3.699 -0.587 -1.291 1.00 . A X . 15 LYS H 1 1 4 1548 1 1 15 LYS HA H -2.435 -1.587 1.127 1.00 . A X . 15 LYS HA 1 1 4 1549 1 1 15 LYS HB2 H -1.278 -0.129 -0.615 1.00 . A X . 15 LYS HB2 1 1 4 1550 1 1 15 LYS HB3 H -2.269 1.200 -0.034 1.00 . A X . 15 LYS HB3 1 1 4 1551 1 1 15 LYS HD2 H 1.034 1.671 1.607 1.00 . A X . 15 LYS HD2 1 1 4 1552 1 1 15 LYS HD3 H 0.741 1.160 -0.055 1.00 . A X . 15 LYS HD3 1 1 4 1553 1 1 15 LYS HE2 H 0.405 3.502 -0.007 1.00 . A X . 15 LYS HE2 1 1 4 1554 1 1 15 LYS HE3 H -1.195 2.768 -0.091 1.00 . A X . 15 LYS HE3 1 1 4 1555 1 1 15 LYS HG2 H -1.270 0.978 2.188 1.00 . A X . 15 LYS HG2 1 1 4 1556 1 1 15 LYS HG3 H -0.277 -0.360 1.605 1.00 . A X . 15 LYS HG3 1 1 4 1557 1 1 15 LYS HZ1 H 0.115 4.063 2.215 1.00 . A X . 15 LYS HZ1 1 1 4 1558 1 1 15 LYS HZ2 H -1.189 3.008 2.438 1.00 . A X . 15 LYS HZ2 1 1 4 1559 1 1 15 LYS HZ3 H -1.384 4.419 1.519 1.00 . A X . 15 LYS HZ3 1 1 4 1560 1 1 15 LYS N N -3.619 -1.185 -0.520 1.00 . A X . 15 LYS N 1 1 4 1561 1 1 15 LYS NZ N -0.722 3.650 1.759 1.00 . A X . 15 LYS NZ 1 1 4 1562 1 1 15 LYS O O -3.532 0.857 2.360 1.00 . A X . 15 LYS O 1 1 4 1563 1 1 16 ALA C C -6.519 1.345 2.237 1.00 . A X . 16 ALA C 1 1 4 1564 1 1 16 ALA CA C -6.172 -0.120 2.489 1.00 . A X . 16 ALA CA 1 1 4 1565 1 1 16 ALA CB C -5.816 -0.353 3.954 1.00 . A X . 16 ALA CB 1 1 4 1566 1 1 16 ALA H H -5.292 -1.308 0.974 1.00 . A X . 16 ALA H 1 1 4 1567 1 1 16 ALA HA H -7.047 -0.714 2.265 1.00 . A X . 16 ALA HA 1 1 4 1568 1 1 16 ALA HB1 H -6.648 -0.061 4.577 1.00 . A X . 16 ALA HB1 1 1 4 1569 1 1 16 ALA HB2 H -4.948 0.237 4.212 1.00 . A X . 16 ALA HB2 1 1 4 1570 1 1 16 ALA HB3 H -5.599 -1.401 4.110 1.00 . A X . 16 ALA HB3 1 1 4 1571 1 1 16 ALA N N -5.100 -0.585 1.611 1.00 . A X . 16 ALA N 1 1 4 1572 1 1 16 ALA O O -6.880 2.082 3.158 1.00 . A X . 16 ALA O 1 1 4 1573 1 1 17 LEU C C -8.114 2.981 -0.221 1.00 . A X . 17 LEU C 1 1 4 1574 1 1 17 LEU CA C -6.843 3.096 0.600 1.00 . A X . 17 LEU CA 1 1 4 1575 1 1 17 LEU CB C -5.759 3.818 -0.201 1.00 . A X . 17 LEU CB 1 1 4 1576 1 1 17 LEU CD1 C -6.281 6.146 0.588 1.00 . A X . 17 LEU CD1 1 1 4 1577 1 1 17 LEU CD2 C -5.041 5.801 -1.557 1.00 . A X . 17 LEU CD2 1 1 4 1578 1 1 17 LEU CG C -6.108 5.247 -0.627 1.00 . A X . 17 LEU CG 1 1 4 1579 1 1 17 LEU H H -6.038 1.171 0.305 1.00 . A X . 17 LEU H 1 1 4 1580 1 1 17 LEU HA H -7.056 3.654 1.501 1.00 . A X . 17 LEU HA 1 1 4 1581 1 1 17 LEU HB2 H -4.861 3.852 0.400 1.00 . A X . 17 LEU HB2 1 1 4 1582 1 1 17 LEU HB3 H -5.557 3.241 -1.089 1.00 . A X . 17 LEU HB3 1 1 4 1583 1 1 17 LEU HD11 H -6.468 7.159 0.262 1.00 . A X . 17 LEU HD11 1 1 4 1584 1 1 17 LEU HD12 H -5.381 6.119 1.185 1.00 . A X . 17 LEU HD12 1 1 4 1585 1 1 17 LEU HD13 H -7.116 5.796 1.179 1.00 . A X . 17 LEU HD13 1 1 4 1586 1 1 17 LEU HD21 H -4.087 5.801 -1.049 1.00 . A X . 17 LEU HD21 1 1 4 1587 1 1 17 LEU HD22 H -5.297 6.812 -1.839 1.00 . A X . 17 LEU HD22 1 1 4 1588 1 1 17 LEU HD23 H -4.977 5.186 -2.442 1.00 . A X . 17 LEU HD23 1 1 4 1589 1 1 17 LEU HG H -7.044 5.234 -1.166 1.00 . A X . 17 LEU HG 1 1 4 1590 1 1 17 LEU N N -6.411 1.767 0.985 1.00 . A X . 17 LEU N 1 1 4 1591 1 1 17 LEU O O -9.196 3.324 0.248 1.00 . A X . 17 LEU O 1 1 4 1592 1 1 18 ALA C C -10.035 1.150 -1.701 1.00 . A X . 18 ALA C 1 1 4 1593 1 1 18 ALA CA C -9.139 2.234 -2.285 1.00 . A X . 18 ALA CA 1 1 4 1594 1 1 18 ALA CB C -8.698 1.861 -3.693 1.00 . A X . 18 ALA CB 1 1 4 1595 1 1 18 ALA H H -7.095 2.209 -1.758 1.00 . A X . 18 ALA H 1 1 4 1596 1 1 18 ALA HA H -9.691 3.157 -2.334 1.00 . A X . 18 ALA HA 1 1 4 1597 1 1 18 ALA HB1 H -8.100 0.962 -3.655 1.00 . A X . 18 ALA HB1 1 1 4 1598 1 1 18 ALA HB2 H -8.113 2.665 -4.111 1.00 . A X . 18 ALA HB2 1 1 4 1599 1 1 18 ALA HB3 H -9.567 1.690 -4.311 1.00 . A X . 18 ALA HB3 1 1 4 1600 1 1 18 ALA N N -7.986 2.450 -1.429 1.00 . A X . 18 ALA N 1 1 4 1601 1 1 18 ALA O O -11.260 1.228 -1.786 1.00 . A X . 18 ALA O 1 1 4 1602 1 1 19 LEU C C -11.007 -0.526 0.684 1.00 . A X . 19 LEU C 1 1 4 1603 1 1 19 LEU CA C -10.144 -0.966 -0.500 1.00 . A X . 19 LEU CA 1 1 4 1604 1 1 19 LEU CB C -9.155 -2.048 -0.060 1.00 . A X . 19 LEU CB 1 1 4 1605 1 1 19 LEU CD1 C -10.626 -4.025 -0.538 1.00 . A X . 19 LEU CD1 1 1 4 1606 1 1 19 LEU CD2 C -8.706 -4.253 1.050 1.00 . A X . 19 LEU CD2 1 1 4 1607 1 1 19 LEU CG C -9.784 -3.321 0.516 1.00 . A X . 19 LEU CG 1 1 4 1608 1 1 19 LEU H H -8.437 0.178 -0.996 1.00 . A X . 19 LEU H 1 1 4 1609 1 1 19 LEU HA H -10.787 -1.369 -1.268 1.00 . A X . 19 LEU HA 1 1 4 1610 1 1 19 LEU HB2 H -8.557 -2.323 -0.916 1.00 . A X . 19 LEU HB2 1 1 4 1611 1 1 19 LEU HB3 H -8.505 -1.625 0.690 1.00 . A X . 19 LEU HB3 1 1 4 1612 1 1 19 LEU HD11 H -9.999 -4.310 -1.369 1.00 . A X . 19 LEU HD11 1 1 4 1613 1 1 19 LEU HD12 H -11.402 -3.357 -0.885 1.00 . A X . 19 LEU HD12 1 1 4 1614 1 1 19 LEU HD13 H -11.078 -4.908 -0.109 1.00 . A X . 19 LEU HD13 1 1 4 1615 1 1 19 LEU HD21 H -9.169 -5.130 1.478 1.00 . A X . 19 LEU HD21 1 1 4 1616 1 1 19 LEU HD22 H -8.133 -3.743 1.810 1.00 . A X . 19 LEU HD22 1 1 4 1617 1 1 19 LEU HD23 H -8.053 -4.549 0.242 1.00 . A X . 19 LEU HD23 1 1 4 1618 1 1 19 LEU HG H -10.433 -3.053 1.336 1.00 . A X . 19 LEU HG 1 1 4 1619 1 1 19 LEU N N -9.414 0.158 -1.072 1.00 . A X . 19 LEU N 1 1 4 1620 1 1 19 LEU O O -12.003 -1.164 1.010 1.00 . A X . 19 LEU O 1 1 4 1621 1 1 20 LYS C C -12.179 2.267 2.193 1.00 . A X . 20 LYS C 1 1 4 1622 1 1 20 LYS CA C -11.320 1.044 2.505 1.00 . A X . 20 LYS CA 1 1 4 1623 1 1 20 LYS CB C -10.294 1.375 3.594 1.00 . A X . 20 LYS CB 1 1 4 1624 1 1 20 LYS CD C -9.809 1.823 6.013 1.00 . A X . 20 LYS CD 1 1 4 1625 1 1 20 LYS CE C -10.325 1.714 7.441 1.00 . A X . 20 LYS CE 1 1 4 1626 1 1 20 LYS CG C -10.875 1.453 4.996 1.00 . A X . 20 LYS CG 1 1 4 1627 1 1 20 LYS H H -9.879 1.098 0.958 1.00 . A X . 20 LYS H 1 1 4 1628 1 1 20 LYS HA H -11.962 0.247 2.850 1.00 . A X . 20 LYS HA 1 1 4 1629 1 1 20 LYS HB2 H -9.526 0.615 3.590 1.00 . A X . 20 LYS HB2 1 1 4 1630 1 1 20 LYS HB3 H -9.842 2.328 3.362 1.00 . A X . 20 LYS HB3 1 1 4 1631 1 1 20 LYS HD2 H -8.965 1.160 5.895 1.00 . A X . 20 LYS HD2 1 1 4 1632 1 1 20 LYS HD3 H -9.495 2.842 5.832 1.00 . A X . 20 LYS HD3 1 1 4 1633 1 1 20 LYS HE2 H -10.628 0.694 7.625 1.00 . A X . 20 LYS HE2 1 1 4 1634 1 1 20 LYS HE3 H -9.523 1.975 8.118 1.00 . A X . 20 LYS HE3 1 1 4 1635 1 1 20 LYS HG2 H -11.650 2.206 5.012 1.00 . A X . 20 LYS HG2 1 1 4 1636 1 1 20 LYS HG3 H -11.296 0.494 5.256 1.00 . A X . 20 LYS HG3 1 1 4 1637 1 1 20 LYS HZ1 H -11.777 2.537 8.698 1.00 . A X . 20 LYS HZ1 1 1 4 1638 1 1 20 LYS HZ2 H -12.290 2.346 7.095 1.00 . A X . 20 LYS HZ2 1 1 4 1639 1 1 20 LYS HZ3 H -11.223 3.604 7.502 1.00 . A X . 20 LYS HZ3 1 1 4 1640 1 1 20 LYS N N -10.631 0.580 1.310 1.00 . A X . 20 LYS N 1 1 4 1641 1 1 20 LYS NZ N -11.483 2.613 7.700 1.00 . A X . 20 LYS NZ 1 1 4 1642 1 1 20 LYS O O -13.096 2.605 2.940 1.00 . A X . 20 LYS O 1 1 4 1643 1 1 21 LEU C C -13.801 3.718 -0.209 1.00 . A X . 21 LEU C 1 1 4 1644 1 1 21 LEU CA C -12.623 4.114 0.672 1.00 . A X . 21 LEU CA 1 1 4 1645 1 1 21 LEU CB C -11.710 5.087 -0.080 1.00 . A X . 21 LEU CB 1 1 4 1646 1 1 21 LEU CD1 C -12.861 7.211 0.598 1.00 . A X . 21 LEU CD1 1 1 4 1647 1 1 21 LEU CD2 C -11.403 7.175 -1.425 1.00 . A X . 21 LEU CD2 1 1 4 1648 1 1 21 LEU CG C -12.374 6.375 -0.575 1.00 . A X . 21 LEU CG 1 1 4 1649 1 1 21 LEU H H -11.107 2.641 0.550 1.00 . A X . 21 LEU H 1 1 4 1650 1 1 21 LEU HA H -12.998 4.599 1.558 1.00 . A X . 21 LEU HA 1 1 4 1651 1 1 21 LEU HB2 H -10.897 5.359 0.576 1.00 . A X . 21 LEU HB2 1 1 4 1652 1 1 21 LEU HB3 H -11.299 4.570 -0.936 1.00 . A X . 21 LEU HB3 1 1 4 1653 1 1 21 LEU HD11 H -13.313 8.120 0.229 1.00 . A X . 21 LEU HD11 1 1 4 1654 1 1 21 LEU HD12 H -12.023 7.458 1.232 1.00 . A X . 21 LEU HD12 1 1 4 1655 1 1 21 LEU HD13 H -13.588 6.650 1.165 1.00 . A X . 21 LEU HD13 1 1 4 1656 1 1 21 LEU HD21 H -11.880 8.085 -1.759 1.00 . A X . 21 LEU HD21 1 1 4 1657 1 1 21 LEU HD22 H -11.104 6.588 -2.281 1.00 . A X . 21 LEU HD22 1 1 4 1658 1 1 21 LEU HD23 H -10.531 7.422 -0.836 1.00 . A X . 21 LEU HD23 1 1 4 1659 1 1 21 LEU HG H -13.231 6.124 -1.187 1.00 . A X . 21 LEU HG 1 1 4 1660 1 1 21 LEU N N -11.871 2.936 1.090 1.00 . A X . 21 LEU N 1 1 4 1661 1 1 21 LEU O O -14.919 4.194 -0.016 1.00 . A X . 21 LEU O 1 1 4 1662 1 1 22 LYS C C -15.470 1.344 -1.546 1.00 . A X . 22 LYS C 1 1 4 1663 1 1 22 LYS CA C -14.581 2.439 -2.118 1.00 . A X . 22 LYS CA 1 1 4 1664 1 1 22 LYS CB C -13.946 1.970 -3.426 1.00 . A X . 22 LYS CB 1 1 4 1665 1 1 22 LYS CD C -12.625 2.578 -5.493 1.00 . A X . 22 LYS CD 1 1 4 1666 1 1 22 LYS CE C -13.592 1.832 -6.403 1.00 . A X . 22 LYS CE 1 1 4 1667 1 1 22 LYS CG C -13.300 3.092 -4.225 1.00 . A X . 22 LYS CG 1 1 4 1668 1 1 22 LYS H H -12.650 2.447 -1.248 1.00 . A X . 22 LYS H 1 1 4 1669 1 1 22 LYS HA H -15.192 3.305 -2.320 1.00 . A X . 22 LYS HA 1 1 4 1670 1 1 22 LYS HB2 H -13.186 1.238 -3.198 1.00 . A X . 22 LYS HB2 1 1 4 1671 1 1 22 LYS HB3 H -14.705 1.509 -4.041 1.00 . A X . 22 LYS HB3 1 1 4 1672 1 1 22 LYS HD2 H -12.221 3.418 -6.035 1.00 . A X . 22 LYS HD2 1 1 4 1673 1 1 22 LYS HD3 H -11.822 1.911 -5.215 1.00 . A X . 22 LYS HD3 1 1 4 1674 1 1 22 LYS HE2 H -13.080 1.579 -7.319 1.00 . A X . 22 LYS HE2 1 1 4 1675 1 1 22 LYS HE3 H -13.910 0.925 -5.908 1.00 . A X . 22 LYS HE3 1 1 4 1676 1 1 22 LYS HG2 H -14.062 3.807 -4.503 1.00 . A X . 22 LYS HG2 1 1 4 1677 1 1 22 LYS HG3 H -12.560 3.576 -3.606 1.00 . A X . 22 LYS HG3 1 1 4 1678 1 1 22 LYS HZ1 H -14.517 3.623 -6.971 1.00 . A X . 22 LYS HZ1 1 1 4 1679 1 1 22 LYS HZ2 H -15.448 2.664 -5.928 1.00 . A X . 22 LYS HZ2 1 1 4 1680 1 1 22 LYS HZ3 H -15.289 2.229 -7.552 1.00 . A X . 22 LYS HZ3 1 1 4 1681 1 1 22 LYS N N -13.550 2.839 -1.172 1.00 . A X . 22 LYS N 1 1 4 1682 1 1 22 LYS NZ N -14.792 2.645 -6.735 1.00 . A X . 22 LYS NZ 1 1 4 1683 1 1 22 LYS O O -16.622 1.199 -1.951 1.00 . A X . 22 LYS O 1 1 4 1684 1 1 23 LYS C C -16.050 -0.185 1.449 1.00 . A X . 23 LYS C 1 1 4 1685 1 1 23 LYS CA C -15.722 -0.494 -0.002 1.00 . A X . 23 LYS CA 1 1 4 1686 1 1 23 LYS CB C -14.994 -1.839 -0.092 1.00 . A X . 23 LYS CB 1 1 4 1687 1 1 23 LYS CD C -16.129 -2.396 -2.287 1.00 . A X . 23 LYS CD 1 1 4 1688 1 1 23 LYS CE C -17.223 -3.163 -1.547 1.00 . A X . 23 LYS CE 1 1 4 1689 1 1 23 LYS CG C -14.812 -2.353 -1.513 1.00 . A X . 23 LYS CG 1 1 4 1690 1 1 23 LYS H H -14.029 0.735 -0.295 1.00 . A X . 23 LYS H 1 1 4 1691 1 1 23 LYS HA H -16.645 -0.563 -0.551 1.00 . A X . 23 LYS HA 1 1 4 1692 1 1 23 LYS HB2 H -14.016 -1.735 0.354 1.00 . A X . 23 LYS HB2 1 1 4 1693 1 1 23 LYS HB3 H -15.555 -2.576 0.464 1.00 . A X . 23 LYS HB3 1 1 4 1694 1 1 23 LYS HD2 H -16.466 -1.385 -2.454 1.00 . A X . 23 LYS HD2 1 1 4 1695 1 1 23 LYS HD3 H -15.952 -2.875 -3.239 1.00 . A X . 23 LYS HD3 1 1 4 1696 1 1 23 LYS HE2 H -17.465 -2.631 -0.638 1.00 . A X . 23 LYS HE2 1 1 4 1697 1 1 23 LYS HE3 H -18.100 -3.207 -2.177 1.00 . A X . 23 LYS HE3 1 1 4 1698 1 1 23 LYS HG2 H -14.126 -1.702 -2.031 1.00 . A X . 23 LYS HG2 1 1 4 1699 1 1 23 LYS HG3 H -14.399 -3.350 -1.471 1.00 . A X . 23 LYS HG3 1 1 4 1700 1 1 23 LYS HZ1 H -17.629 -5.095 -0.865 1.00 . A X . 23 LYS HZ1 1 1 4 1701 1 1 23 LYS HZ2 H -16.091 -4.529 -0.443 1.00 . A X . 23 LYS HZ2 1 1 4 1702 1 1 23 LYS HZ3 H -16.402 -5.023 -2.035 1.00 . A X . 23 LYS HZ3 1 1 4 1703 1 1 23 LYS N N -14.944 0.574 -0.602 1.00 . A X . 23 LYS N 1 1 4 1704 1 1 23 LYS NZ N -16.808 -4.547 -1.200 1.00 . A X . 23 LYS NZ 1 1 4 1705 1 1 23 LYS O O -15.179 0.218 2.224 1.00 . A X . 23 LYS O 1 1 4 1706 1 1 24 ALA C C -17.988 -1.539 3.820 1.00 . A X . 24 ALA C 1 1 4 1707 1 1 24 ALA CA C -17.751 -0.183 3.171 1.00 . A X . 24 ALA CA 1 1 4 1708 1 1 24 ALA CB C -19.012 0.668 3.220 1.00 . A X . 24 ALA CB 1 1 4 1709 1 1 24 ALA H H -17.965 -0.644 1.123 1.00 . A X . 24 ALA H 1 1 4 1710 1 1 24 ALA HA H -16.969 0.335 3.708 1.00 . A X . 24 ALA HA 1 1 4 1711 1 1 24 ALA HB1 H -19.800 0.178 2.667 1.00 . A X . 24 ALA HB1 1 1 4 1712 1 1 24 ALA HB2 H -18.812 1.635 2.782 1.00 . A X . 24 ALA HB2 1 1 4 1713 1 1 24 ALA HB3 H -19.319 0.796 4.247 1.00 . A X . 24 ALA HB3 1 1 4 1714 1 1 24 ALA N N -17.309 -0.367 1.804 1.00 . A X . 24 ALA N 1 1 4 1715 1 1 24 ALA O O -17.055 -2.059 4.464 1.00 . A X . 24 ALA O 1 1 4 1716 1 1 24 ALA OXT O -19.094 -2.093 3.664 1.00 . A X . 24 ALA OXT 1 1 5 1717 1 1 1 LYS C C 12.390 -0.596 -0.023 1.00 . A X . 1 LYS C 1 1 5 1718 1 1 1 LYS CA C 13.914 -0.551 0.046 1.00 . A X . 1 LYS CA 1 1 5 1719 1 1 1 LYS CB C 14.371 0.040 1.385 1.00 . A X . 1 LYS CB 1 1 5 1720 1 1 1 LYS CD C 14.564 -0.206 3.872 1.00 . A X . 1 LYS CD 1 1 5 1721 1 1 1 LYS CE C 14.519 -1.175 5.043 1.00 . A X . 1 LYS CE 1 1 5 1722 1 1 1 LYS CG C 14.107 -0.862 2.580 1.00 . A X . 1 LYS CG 1 1 5 1723 1 1 1 LYS H1 H 14.160 -0.169 -1.982 1.00 . A X . 1 LYS H1 1 1 5 1724 1 1 1 LYS H2 H 15.483 0.306 -1.025 1.00 . A X . 1 LYS H2 1 1 5 1725 1 1 1 LYS H3 H 14.056 1.224 -1.023 1.00 . A X . 1 LYS H3 1 1 5 1726 1 1 1 LYS HA H 14.296 -1.557 -0.051 1.00 . A X . 1 LYS HA 1 1 5 1727 1 1 1 LYS HB2 H 15.434 0.231 1.336 1.00 . A X . 1 LYS HB2 1 1 5 1728 1 1 1 LYS HB3 H 13.854 0.974 1.544 1.00 . A X . 1 LYS HB3 1 1 5 1729 1 1 1 LYS HD2 H 15.577 0.144 3.747 1.00 . A X . 1 LYS HD2 1 1 5 1730 1 1 1 LYS HD3 H 13.917 0.631 4.086 1.00 . A X . 1 LYS HD3 1 1 5 1731 1 1 1 LYS HE2 H 14.831 -0.654 5.937 1.00 . A X . 1 LYS HE2 1 1 5 1732 1 1 1 LYS HE3 H 13.505 -1.526 5.166 1.00 . A X . 1 LYS HE3 1 1 5 1733 1 1 1 LYS HG2 H 13.046 -1.061 2.643 1.00 . A X . 1 LYS HG2 1 1 5 1734 1 1 1 LYS HG3 H 14.643 -1.789 2.447 1.00 . A X . 1 LYS HG3 1 1 5 1735 1 1 1 LYS HZ1 H 15.561 -2.858 5.723 1.00 . A X . 1 LYS HZ1 1 1 5 1736 1 1 1 LYS HZ2 H 16.341 -2.027 4.466 1.00 . A X . 1 LYS HZ2 1 1 5 1737 1 1 1 LYS HZ3 H 14.991 -2.997 4.131 1.00 . A X . 1 LYS HZ3 1 1 5 1738 1 1 1 LYS N N 14.440 0.257 -1.072 1.00 . A X . 1 LYS N 1 1 5 1739 1 1 1 LYS NZ N 15.414 -2.343 4.827 1.00 . A X . 1 LYS NZ 1 1 5 1740 1 1 1 LYS O O 11.787 -1.673 0.027 1.00 . A X . 1 LYS O 1 1 5 1741 1 1 2 LYS C C 9.818 0.040 -1.554 1.00 . A X . 2 LYS C 1 1 5 1742 1 1 2 LYS CA C 10.320 0.667 -0.260 1.00 . A X . 2 LYS CA 1 1 5 1743 1 1 2 LYS CB C 9.864 2.128 -0.181 1.00 . A X . 2 LYS CB 1 1 5 1744 1 1 2 LYS CD C 8.717 1.932 2.045 1.00 . A X . 2 LYS CD 1 1 5 1745 1 1 2 LYS CE C 8.423 2.620 3.368 1.00 . A X . 2 LYS CE 1 1 5 1746 1 1 2 LYS CG C 9.768 2.677 1.235 1.00 . A X . 2 LYS CG 1 1 5 1747 1 1 2 LYS H H 12.306 1.405 -0.179 1.00 . A X . 2 LYS H 1 1 5 1748 1 1 2 LYS HA H 9.894 0.126 0.572 1.00 . A X . 2 LYS HA 1 1 5 1749 1 1 2 LYS HB2 H 10.563 2.740 -0.732 1.00 . A X . 2 LYS HB2 1 1 5 1750 1 1 2 LYS HB3 H 8.889 2.211 -0.641 1.00 . A X . 2 LYS HB3 1 1 5 1751 1 1 2 LYS HD2 H 7.805 1.882 1.469 1.00 . A X . 2 LYS HD2 1 1 5 1752 1 1 2 LYS HD3 H 9.074 0.932 2.242 1.00 . A X . 2 LYS HD3 1 1 5 1753 1 1 2 LYS HE2 H 8.072 3.621 3.168 1.00 . A X . 2 LYS HE2 1 1 5 1754 1 1 2 LYS HE3 H 7.649 2.068 3.880 1.00 . A X . 2 LYS HE3 1 1 5 1755 1 1 2 LYS HG2 H 10.728 2.567 1.717 1.00 . A X . 2 LYS HG2 1 1 5 1756 1 1 2 LYS HG3 H 9.502 3.723 1.190 1.00 . A X . 2 LYS HG3 1 1 5 1757 1 1 2 LYS HZ1 H 10.011 1.743 4.404 1.00 . A X . 2 LYS HZ1 1 1 5 1758 1 1 2 LYS HZ2 H 9.369 3.111 5.166 1.00 . A X . 2 LYS HZ2 1 1 5 1759 1 1 2 LYS HZ3 H 10.357 3.287 3.802 1.00 . A X . 2 LYS HZ3 1 1 5 1760 1 1 2 LYS N N 11.770 0.575 -0.155 1.00 . A X . 2 LYS N 1 1 5 1761 1 1 2 LYS NZ N 9.622 2.696 4.245 1.00 . A X . 2 LYS NZ 1 1 5 1762 1 1 2 LYS O O 8.853 -0.724 -1.547 1.00 . A X . 2 LYS O 1 1 5 1763 1 1 3 LEU C C 10.425 -1.561 -4.250 1.00 . A X . 3 LEU C 1 1 5 1764 1 1 3 LEU CA C 10.040 -0.110 -3.971 1.00 . A X . 3 LEU CA 1 1 5 1765 1 1 3 LEU CB C 10.581 0.803 -5.081 1.00 . A X . 3 LEU CB 1 1 5 1766 1 1 3 LEU CD1 C 10.200 3.094 -4.077 1.00 . A X . 3 LEU CD1 1 1 5 1767 1 1 3 LEU CD2 C 10.248 2.795 -6.562 1.00 . A X . 3 LEU CD2 1 1 5 1768 1 1 3 LEU CG C 9.872 2.156 -5.234 1.00 . A X . 3 LEU CG 1 1 5 1769 1 1 3 LEU H H 11.325 0.859 -2.589 1.00 . A X . 3 LEU H 1 1 5 1770 1 1 3 LEU HA H 8.962 -0.044 -3.973 1.00 . A X . 3 LEU HA 1 1 5 1771 1 1 3 LEU HB2 H 11.626 0.991 -4.883 1.00 . A X . 3 LEU HB2 1 1 5 1772 1 1 3 LEU HB3 H 10.501 0.273 -6.020 1.00 . A X . 3 LEU HB3 1 1 5 1773 1 1 3 LEU HD11 H 9.879 2.645 -3.149 1.00 . A X . 3 LEU HD11 1 1 5 1774 1 1 3 LEU HD12 H 9.688 4.034 -4.217 1.00 . A X . 3 LEU HD12 1 1 5 1775 1 1 3 LEU HD13 H 11.264 3.266 -4.044 1.00 . A X . 3 LEU HD13 1 1 5 1776 1 1 3 LEU HD21 H 9.751 3.748 -6.656 1.00 . A X . 3 LEU HD21 1 1 5 1777 1 1 3 LEU HD22 H 9.943 2.148 -7.371 1.00 . A X . 3 LEU HD22 1 1 5 1778 1 1 3 LEU HD23 H 11.317 2.942 -6.601 1.00 . A X . 3 LEU HD23 1 1 5 1779 1 1 3 LEU HG H 8.804 1.992 -5.235 1.00 . A X . 3 LEU HG 1 1 5 1780 1 1 3 LEU N N 10.494 0.335 -2.657 1.00 . A X . 3 LEU N 1 1 5 1781 1 1 3 LEU O O 11.006 -1.865 -5.291 1.00 . A X . 3 LEU O 1 1 5 1782 1 1 4 LYS C C 9.777 -4.635 -2.278 1.00 . A X . 4 LYS C 1 1 5 1783 1 1 4 LYS CA C 10.275 -3.880 -3.501 1.00 . A X . 4 LYS CA 1 1 5 1784 1 1 4 LYS CB C 11.740 -4.252 -3.772 1.00 . A X . 4 LYS CB 1 1 5 1785 1 1 4 LYS CD C 13.372 -6.048 -4.452 1.00 . A X . 4 LYS CD 1 1 5 1786 1 1 4 LYS CE C 13.519 -7.451 -5.024 1.00 . A X . 4 LYS CE 1 1 5 1787 1 1 4 LYS CG C 11.913 -5.700 -4.215 1.00 . A X . 4 LYS CG 1 1 5 1788 1 1 4 LYS H H 9.708 -2.117 -2.473 1.00 . A X . 4 LYS H 1 1 5 1789 1 1 4 LYS HA H 9.678 -4.173 -4.351 1.00 . A X . 4 LYS HA 1 1 5 1790 1 1 4 LYS HB2 H 12.126 -3.611 -4.549 1.00 . A X . 4 LYS HB2 1 1 5 1791 1 1 4 LYS HB3 H 12.314 -4.102 -2.870 1.00 . A X . 4 LYS HB3 1 1 5 1792 1 1 4 LYS HD2 H 13.792 -5.338 -5.149 1.00 . A X . 4 LYS HD2 1 1 5 1793 1 1 4 LYS HD3 H 13.903 -5.992 -3.514 1.00 . A X . 4 LYS HD3 1 1 5 1794 1 1 4 LYS HE2 H 13.040 -8.151 -4.357 1.00 . A X . 4 LYS HE2 1 1 5 1795 1 1 4 LYS HE3 H 13.035 -7.484 -5.989 1.00 . A X . 4 LYS HE3 1 1 5 1796 1 1 4 LYS HG2 H 11.523 -6.348 -3.446 1.00 . A X . 4 LYS HG2 1 1 5 1797 1 1 4 LYS HG3 H 11.362 -5.853 -5.132 1.00 . A X . 4 LYS HG3 1 1 5 1798 1 1 4 LYS HZ1 H 15.013 -8.750 -5.695 1.00 . A X . 4 LYS HZ1 1 1 5 1799 1 1 4 LYS HZ2 H 15.398 -7.946 -4.252 1.00 . A X . 4 LYS HZ2 1 1 5 1800 1 1 4 LYS HZ3 H 15.461 -7.112 -5.729 1.00 . A X . 4 LYS HZ3 1 1 5 1801 1 1 4 LYS N N 10.098 -2.445 -3.315 1.00 . A X . 4 LYS N 1 1 5 1802 1 1 4 LYS NZ N 14.945 -7.842 -5.188 1.00 . A X . 4 LYS NZ 1 1 5 1803 1 1 4 LYS O O 8.760 -5.328 -2.338 1.00 . A X . 4 LYS O 1 1 5 1804 1 1 5 LEU C C 8.898 -4.704 0.707 1.00 . A X . 5 LEU C 1 1 5 1805 1 1 5 LEU CA C 10.175 -5.220 0.055 1.00 . A X . 5 LEU CA 1 1 5 1806 1 1 5 LEU CB C 11.337 -5.149 1.062 1.00 . A X . 5 LEU CB 1 1 5 1807 1 1 5 LEU CD1 C 12.402 -7.217 0.093 1.00 . A X . 5 LEU CD1 1 1 5 1808 1 1 5 LEU CD2 C 13.398 -4.970 -0.390 1.00 . A X . 5 LEU CD2 1 1 5 1809 1 1 5 LEU CG C 12.655 -5.817 0.634 1.00 . A X . 5 LEU CG 1 1 5 1810 1 1 5 LEU H H 11.226 -3.833 -1.157 1.00 . A X . 5 LEU H 1 1 5 1811 1 1 5 LEU HA H 10.018 -6.249 -0.228 1.00 . A X . 5 LEU HA 1 1 5 1812 1 1 5 LEU HB2 H 11.540 -4.107 1.265 1.00 . A X . 5 LEU HB2 1 1 5 1813 1 1 5 LEU HB3 H 11.010 -5.614 1.980 1.00 . A X . 5 LEU HB3 1 1 5 1814 1 1 5 LEU HD11 H 11.949 -7.824 0.862 1.00 . A X . 5 LEU HD11 1 1 5 1815 1 1 5 LEU HD12 H 13.339 -7.660 -0.210 1.00 . A X . 5 LEU HD12 1 1 5 1816 1 1 5 LEU HD13 H 11.740 -7.158 -0.759 1.00 . A X . 5 LEU HD13 1 1 5 1817 1 1 5 LEU HD21 H 13.613 -3.999 0.033 1.00 . A X . 5 LEU HD21 1 1 5 1818 1 1 5 LEU HD22 H 12.784 -4.849 -1.271 1.00 . A X . 5 LEU HD22 1 1 5 1819 1 1 5 LEU HD23 H 14.323 -5.459 -0.659 1.00 . A X . 5 LEU HD23 1 1 5 1820 1 1 5 LEU HG H 13.289 -5.916 1.502 1.00 . A X . 5 LEU HG 1 1 5 1821 1 1 5 LEU N N 10.480 -4.472 -1.163 1.00 . A X . 5 LEU N 1 1 5 1822 1 1 5 LEU O O 8.170 -5.458 1.354 1.00 . A X . 5 LEU O 1 1 5 1823 1 1 6 ALA C C 6.278 -2.867 0.079 1.00 . A X . 6 ALA C 1 1 5 1824 1 1 6 ALA CA C 7.424 -2.818 1.082 1.00 . A X . 6 ALA CA 1 1 5 1825 1 1 6 ALA CB C 7.704 -1.385 1.499 1.00 . A X . 6 ALA CB 1 1 5 1826 1 1 6 ALA H H 9.247 -2.867 0.013 1.00 . A X . 6 ALA H 1 1 5 1827 1 1 6 ALA HA H 7.146 -3.379 1.963 1.00 . A X . 6 ALA HA 1 1 5 1828 1 1 6 ALA HB1 H 7.973 -0.805 0.630 1.00 . A X . 6 ALA HB1 1 1 5 1829 1 1 6 ALA HB2 H 8.518 -1.369 2.208 1.00 . A X . 6 ALA HB2 1 1 5 1830 1 1 6 ALA HB3 H 6.820 -0.963 1.952 1.00 . A X . 6 ALA HB3 1 1 5 1831 1 1 6 ALA N N 8.624 -3.423 0.527 1.00 . A X . 6 ALA N 1 1 5 1832 1 1 6 ALA O O 5.243 -2.233 0.271 1.00 . A X . 6 ALA O 1 1 5 1833 1 1 7 LEU C C 5.076 -5.204 -2.246 1.00 . A X . 7 LEU C 1 1 5 1834 1 1 7 LEU CA C 5.449 -3.747 -2.028 1.00 . A X . 7 LEU CA 1 1 5 1835 1 1 7 LEU CB C 5.945 -3.141 -3.342 1.00 . A X . 7 LEU CB 1 1 5 1836 1 1 7 LEU CD1 C 6.732 -1.163 -4.661 1.00 . A X . 7 LEU CD1 1 1 5 1837 1 1 7 LEU CD2 C 4.966 -0.868 -2.921 1.00 . A X . 7 LEU CD2 1 1 5 1838 1 1 7 LEU CG C 6.220 -1.636 -3.311 1.00 . A X . 7 LEU CG 1 1 5 1839 1 1 7 LEU H H 7.306 -4.131 -1.080 1.00 . A X . 7 LEU H 1 1 5 1840 1 1 7 LEU HA H 4.573 -3.209 -1.698 1.00 . A X . 7 LEU HA 1 1 5 1841 1 1 7 LEU HB2 H 6.860 -3.645 -3.621 1.00 . A X . 7 LEU HB2 1 1 5 1842 1 1 7 LEU HB3 H 5.204 -3.333 -4.104 1.00 . A X . 7 LEU HB3 1 1 5 1843 1 1 7 LEU HD11 H 6.911 -0.098 -4.624 1.00 . A X . 7 LEU HD11 1 1 5 1844 1 1 7 LEU HD12 H 5.996 -1.380 -5.421 1.00 . A X . 7 LEU HD12 1 1 5 1845 1 1 7 LEU HD13 H 7.654 -1.675 -4.894 1.00 . A X . 7 LEU HD13 1 1 5 1846 1 1 7 LEU HD21 H 5.188 0.189 -2.886 1.00 . A X . 7 LEU HD21 1 1 5 1847 1 1 7 LEU HD22 H 4.629 -1.197 -1.948 1.00 . A X . 7 LEU HD22 1 1 5 1848 1 1 7 LEU HD23 H 4.191 -1.048 -3.651 1.00 . A X . 7 LEU HD23 1 1 5 1849 1 1 7 LEU HG H 6.982 -1.431 -2.574 1.00 . A X . 7 LEU HG 1 1 5 1850 1 1 7 LEU N N 6.465 -3.631 -0.990 1.00 . A X . 7 LEU N 1 1 5 1851 1 1 7 LEU O O 3.920 -5.525 -2.520 1.00 . A X . 7 LEU O 1 1 5 1852 1 1 8 ALA C C 4.817 -8.086 -1.396 1.00 . A X . 8 ALA C 1 1 5 1853 1 1 8 ALA CA C 5.874 -7.508 -2.323 1.00 . A X . 8 ALA CA 1 1 5 1854 1 1 8 ALA CB C 7.189 -8.255 -2.151 1.00 . A X . 8 ALA CB 1 1 5 1855 1 1 8 ALA H H 6.956 -5.758 -1.846 1.00 . A X . 8 ALA H 1 1 5 1856 1 1 8 ALA HA H 5.549 -7.642 -3.345 1.00 . A X . 8 ALA HA 1 1 5 1857 1 1 8 ALA HB1 H 7.930 -7.844 -2.824 1.00 . A X . 8 ALA HB1 1 1 5 1858 1 1 8 ALA HB2 H 7.042 -9.302 -2.375 1.00 . A X . 8 ALA HB2 1 1 5 1859 1 1 8 ALA HB3 H 7.531 -8.149 -1.131 1.00 . A X . 8 ALA HB3 1 1 5 1860 1 1 8 ALA N N 6.065 -6.082 -2.099 1.00 . A X . 8 ALA N 1 1 5 1861 1 1 8 ALA O O 4.169 -9.078 -1.730 1.00 . A X . 8 ALA O 1 1 5 1862 1 1 9 LYS C C 2.257 -7.398 0.410 1.00 . A X . 9 LYS C 1 1 5 1863 1 1 9 LYS CA C 3.651 -7.953 0.722 1.00 . A X . 9 LYS CA 1 1 5 1864 1 1 9 LYS CB C 4.076 -7.613 2.157 1.00 . A X . 9 LYS CB 1 1 5 1865 1 1 9 LYS CD C 3.863 -8.188 4.601 1.00 . A X . 9 LYS CD 1 1 5 1866 1 1 9 LYS CE C 3.061 -8.964 5.633 1.00 . A X . 9 LYS CE 1 1 5 1867 1 1 9 LYS CG C 3.268 -8.351 3.213 1.00 . A X . 9 LYS CG 1 1 5 1868 1 1 9 LYS H H 5.144 -6.656 -0.035 1.00 . A X . 9 LYS H 1 1 5 1869 1 1 9 LYS HA H 3.616 -9.027 0.619 1.00 . A X . 9 LYS HA 1 1 5 1870 1 1 9 LYS HB2 H 5.117 -7.870 2.284 1.00 . A X . 9 LYS HB2 1 1 5 1871 1 1 9 LYS HB3 H 3.954 -6.552 2.315 1.00 . A X . 9 LYS HB3 1 1 5 1872 1 1 9 LYS HD2 H 4.877 -8.559 4.595 1.00 . A X . 9 LYS HD2 1 1 5 1873 1 1 9 LYS HD3 H 3.858 -7.142 4.868 1.00 . A X . 9 LYS HD3 1 1 5 1874 1 1 9 LYS HE2 H 2.069 -8.544 5.688 1.00 . A X . 9 LYS HE2 1 1 5 1875 1 1 9 LYS HE3 H 2.996 -9.994 5.316 1.00 . A X . 9 LYS HE3 1 1 5 1876 1 1 9 LYS HG2 H 2.262 -7.958 3.220 1.00 . A X . 9 LYS HG2 1 1 5 1877 1 1 9 LYS HG3 H 3.243 -9.401 2.964 1.00 . A X . 9 LYS HG3 1 1 5 1878 1 1 9 LYS HZ1 H 4.604 -9.403 6.976 1.00 . A X . 9 LYS HZ1 1 1 5 1879 1 1 9 LYS HZ2 H 3.065 -9.378 7.683 1.00 . A X . 9 LYS HZ2 1 1 5 1880 1 1 9 LYS HZ3 H 3.836 -7.923 7.277 1.00 . A X . 9 LYS HZ3 1 1 5 1881 1 1 9 LYS N N 4.626 -7.462 -0.239 1.00 . A X . 9 LYS N 1 1 5 1882 1 1 9 LYS NZ N 3.685 -8.912 6.984 1.00 . A X . 9 LYS NZ 1 1 5 1883 1 1 9 LYS O O 1.657 -6.679 1.212 1.00 . A X . 9 LYS O 1 1 5 1884 1 1 10 LEU C C 0.113 -5.934 -1.347 1.00 . A X . 10 LEU C 1 1 5 1885 1 1 10 LEU CA C 0.408 -7.430 -1.222 1.00 . A X . 10 LEU CA 1 1 5 1886 1 1 10 LEU CB C -0.616 -8.088 -0.280 1.00 . A X . 10 LEU CB 1 1 5 1887 1 1 10 LEU CD1 C -1.042 -9.969 -1.873 1.00 . A X . 10 LEU CD1 1 1 5 1888 1 1 10 LEU CD2 C 0.425 -10.354 0.116 1.00 . A X . 10 LEU CD2 1 1 5 1889 1 1 10 LEU CG C -0.785 -9.604 -0.424 1.00 . A X . 10 LEU CG 1 1 5 1890 1 1 10 LEU H H 2.383 -8.160 -1.426 1.00 . A X . 10 LEU H 1 1 5 1891 1 1 10 LEU HA H 0.289 -7.869 -2.202 1.00 . A X . 10 LEU HA 1 1 5 1892 1 1 10 LEU HB2 H -0.319 -7.879 0.737 1.00 . A X . 10 LEU HB2 1 1 5 1893 1 1 10 LEU HB3 H -1.577 -7.626 -0.455 1.00 . A X . 10 LEU HB3 1 1 5 1894 1 1 10 LEU HD11 H -0.199 -9.668 -2.474 1.00 . A X . 10 LEU HD11 1 1 5 1895 1 1 10 LEU HD12 H -1.930 -9.462 -2.218 1.00 . A X . 10 LEU HD12 1 1 5 1896 1 1 10 LEU HD13 H -1.183 -11.038 -1.957 1.00 . A X . 10 LEU HD13 1 1 5 1897 1 1 10 LEU HD21 H 0.278 -11.416 -0.016 1.00 . A X . 10 LEU HD21 1 1 5 1898 1 1 10 LEU HD22 H 0.545 -10.134 1.168 1.00 . A X . 10 LEU HD22 1 1 5 1899 1 1 10 LEU HD23 H 1.309 -10.044 -0.419 1.00 . A X . 10 LEU HD23 1 1 5 1900 1 1 10 LEU HG H -1.649 -9.914 0.148 1.00 . A X . 10 LEU HG 1 1 5 1901 1 1 10 LEU N N 1.781 -7.714 -0.793 1.00 . A X . 10 LEU N 1 1 5 1902 1 1 10 LEU O O -1.049 -5.529 -1.359 1.00 . A X . 10 LEU O 1 1 5 1903 1 1 11 ALA C C 0.224 -3.087 -0.419 1.00 . A X . 11 ALA C 1 1 5 1904 1 1 11 ALA CA C 1.040 -3.672 -1.575 1.00 . A X . 11 ALA CA 1 1 5 1905 1 1 11 ALA CB C 0.416 -3.302 -2.914 1.00 . A X . 11 ALA CB 1 1 5 1906 1 1 11 ALA H H 2.065 -5.519 -1.469 1.00 . A X . 11 ALA H 1 1 5 1907 1 1 11 ALA HA H 2.034 -3.250 -1.543 1.00 . A X . 11 ALA HA 1 1 5 1908 1 1 11 ALA HB1 H -0.571 -3.734 -2.980 1.00 . A X . 11 ALA HB1 1 1 5 1909 1 1 11 ALA HB2 H 1.031 -3.684 -3.714 1.00 . A X . 11 ALA HB2 1 1 5 1910 1 1 11 ALA HB3 H 0.345 -2.228 -2.993 1.00 . A X . 11 ALA HB3 1 1 5 1911 1 1 11 ALA N N 1.170 -5.125 -1.457 1.00 . A X . 11 ALA N 1 1 5 1912 1 1 11 ALA O O -0.939 -2.714 -0.590 1.00 . A X . 11 ALA O 1 1 5 1913 1 1 12 PRO C C -0.481 -1.147 1.857 1.00 . A X . 12 PRO C 1 1 5 1914 1 1 12 PRO CA C 0.145 -2.532 1.991 1.00 . A X . 12 PRO CA 1 1 5 1915 1 1 12 PRO CB C 1.247 -2.514 3.057 1.00 . A X . 12 PRO CB 1 1 5 1916 1 1 12 PRO CD C 2.251 -3.278 1.032 1.00 . A X . 12 PRO CD 1 1 5 1917 1 1 12 PRO CG C 2.529 -2.522 2.297 1.00 . A X . 12 PRO CG 1 1 5 1918 1 1 12 PRO HA H -0.622 -3.237 2.284 1.00 . A X . 12 PRO HA 1 1 5 1919 1 1 12 PRO HB2 H 1.150 -1.621 3.657 1.00 . A X . 12 PRO HB2 1 1 5 1920 1 1 12 PRO HB3 H 1.157 -3.387 3.687 1.00 . A X . 12 PRO HB3 1 1 5 1921 1 1 12 PRO HD2 H 2.876 -2.916 0.230 1.00 . A X . 12 PRO HD2 1 1 5 1922 1 1 12 PRO HD3 H 2.400 -4.337 1.182 1.00 . A X . 12 PRO HD3 1 1 5 1923 1 1 12 PRO HG2 H 2.829 -1.510 2.071 1.00 . A X . 12 PRO HG2 1 1 5 1924 1 1 12 PRO HG3 H 3.295 -3.023 2.871 1.00 . A X . 12 PRO HG3 1 1 5 1925 1 1 12 PRO N N 0.836 -2.979 0.773 1.00 . A X . 12 PRO N 1 1 5 1926 1 1 12 PRO O O -1.490 -0.850 2.497 1.00 . A X . 12 PRO O 1 1 5 1927 1 1 13 LEU C C -1.563 1.081 -0.123 1.00 . A X . 13 LEU C 1 1 5 1928 1 1 13 LEU CA C -0.377 1.053 0.835 1.00 . A X . 13 LEU CA 1 1 5 1929 1 1 13 LEU CB C 0.749 1.953 0.310 1.00 . A X . 13 LEU CB 1 1 5 1930 1 1 13 LEU CD1 C 0.065 4.044 1.522 1.00 . A X . 13 LEU CD1 1 1 5 1931 1 1 13 LEU CD2 C 1.537 4.193 -0.496 1.00 . A X . 13 LEU CD2 1 1 5 1932 1 1 13 LEU CG C 0.395 3.437 0.165 1.00 . A X . 13 LEU CG 1 1 5 1933 1 1 13 LEU H H 0.880 -0.622 0.492 1.00 . A X . 13 LEU H 1 1 5 1934 1 1 13 LEU HA H -0.699 1.419 1.797 1.00 . A X . 13 LEU HA 1 1 5 1935 1 1 13 LEU HB2 H 1.588 1.870 0.985 1.00 . A X . 13 LEU HB2 1 1 5 1936 1 1 13 LEU HB3 H 1.050 1.583 -0.658 1.00 . A X . 13 LEU HB3 1 1 5 1937 1 1 13 LEU HD11 H -0.156 5.094 1.402 1.00 . A X . 13 LEU HD11 1 1 5 1938 1 1 13 LEU HD12 H 0.908 3.927 2.186 1.00 . A X . 13 LEU HD12 1 1 5 1939 1 1 13 LEU HD13 H -0.795 3.542 1.940 1.00 . A X . 13 LEU HD13 1 1 5 1940 1 1 13 LEU HD21 H 1.282 5.241 -0.572 1.00 . A X . 13 LEU HD21 1 1 5 1941 1 1 13 LEU HD22 H 1.708 3.794 -1.484 1.00 . A X . 13 LEU HD22 1 1 5 1942 1 1 13 LEU HD23 H 2.433 4.083 0.097 1.00 . A X . 13 LEU HD23 1 1 5 1943 1 1 13 LEU HG H -0.477 3.531 -0.465 1.00 . A X . 13 LEU HG 1 1 5 1944 1 1 13 LEU N N 0.106 -0.311 1.014 1.00 . A X . 13 LEU N 1 1 5 1945 1 1 13 LEU O O -2.437 1.941 -0.024 1.00 . A X . 13 LEU O 1 1 5 1946 1 1 14 TRP C C -3.886 -0.642 -1.532 1.00 . A X . 14 TRP C 1 1 5 1947 1 1 14 TRP CA C -2.640 0.071 -2.051 1.00 . A X . 14 TRP CA 1 1 5 1948 1 1 14 TRP CB C -2.109 -0.633 -3.304 1.00 . A X . 14 TRP CB 1 1 5 1949 1 1 14 TRP CD1 C -3.471 0.160 -5.329 1.00 . A X . 14 TRP CD1 1 1 5 1950 1 1 14 TRP CD2 C -3.929 -1.934 -4.674 1.00 . A X . 14 TRP CD2 1 1 5 1951 1 1 14 TRP CE2 C -4.739 -1.623 -5.781 1.00 . A X . 14 TRP CE2 1 1 5 1952 1 1 14 TRP CE3 C -4.042 -3.199 -4.091 1.00 . A X . 14 TRP CE3 1 1 5 1953 1 1 14 TRP CG C -3.127 -0.778 -4.397 1.00 . A X . 14 TRP CG 1 1 5 1954 1 1 14 TRP CH2 C -5.738 -3.757 -5.725 1.00 . A X . 14 TRP CH2 1 1 5 1955 1 1 14 TRP CZ2 C -5.649 -2.528 -6.313 1.00 . A X . 14 TRP CZ2 1 1 5 1956 1 1 14 TRP CZ3 C -4.944 -4.098 -4.624 1.00 . A X . 14 TRP CZ3 1 1 5 1957 1 1 14 TRP H H -0.920 -0.587 -1.010 1.00 . A X . 14 TRP H 1 1 5 1958 1 1 14 TRP HA H -2.903 1.086 -2.305 1.00 . A X . 14 TRP HA 1 1 5 1959 1 1 14 TRP HB2 H -1.277 -0.069 -3.696 1.00 . A X . 14 TRP HB2 1 1 5 1960 1 1 14 TRP HB3 H -1.772 -1.621 -3.032 1.00 . A X . 14 TRP HB3 1 1 5 1961 1 1 14 TRP HD1 H -3.040 1.149 -5.390 1.00 . A X . 14 TRP HD1 1 1 5 1962 1 1 14 TRP HE1 H -4.858 0.144 -6.914 1.00 . A X . 14 TRP HE1 1 1 5 1963 1 1 14 TRP HE3 H -3.437 -3.478 -3.241 1.00 . A X . 14 TRP HE3 1 1 5 1964 1 1 14 TRP HH2 H -6.431 -4.490 -6.106 1.00 . A X . 14 TRP HH2 1 1 5 1965 1 1 14 TRP HZ2 H -6.268 -2.284 -7.164 1.00 . A X . 14 TRP HZ2 1 1 5 1966 1 1 14 TRP HZ3 H -5.047 -5.080 -4.186 1.00 . A X . 14 TRP HZ3 1 1 5 1967 1 1 14 TRP N N -1.602 0.117 -1.032 1.00 . A X . 14 TRP N 1 1 5 1968 1 1 14 TRP NE1 N -4.443 -0.341 -6.162 1.00 . A X . 14 TRP NE1 1 1 5 1969 1 1 14 TRP O O -4.998 -0.111 -1.613 1.00 . A X . 14 TRP O 1 1 5 1970 1 1 15 LYS C C -5.586 -2.066 0.609 1.00 . A X . 15 LYS C 1 1 5 1971 1 1 15 LYS CA C -4.810 -2.678 -0.555 1.00 . A X . 15 LYS CA 1 1 5 1972 1 1 15 LYS CB C -4.317 -4.083 -0.185 1.00 . A X . 15 LYS CB 1 1 5 1973 1 1 15 LYS CD C -2.841 -5.533 1.230 1.00 . A X . 15 LYS CD 1 1 5 1974 1 1 15 LYS CE C -1.813 -5.593 2.349 1.00 . A X . 15 LYS CE 1 1 5 1975 1 1 15 LYS CG C -3.343 -4.119 0.984 1.00 . A X . 15 LYS CG 1 1 5 1976 1 1 15 LYS H H -2.770 -2.157 -0.836 1.00 . A X . 15 LYS H 1 1 5 1977 1 1 15 LYS HA H -5.478 -2.761 -1.400 1.00 . A X . 15 LYS HA 1 1 5 1978 1 1 15 LYS HB2 H -5.170 -4.693 0.070 1.00 . A X . 15 LYS HB2 1 1 5 1979 1 1 15 LYS HB3 H -3.825 -4.513 -1.046 1.00 . A X . 15 LYS HB3 1 1 5 1980 1 1 15 LYS HD2 H -3.679 -6.158 1.497 1.00 . A X . 15 LYS HD2 1 1 5 1981 1 1 15 LYS HD3 H -2.390 -5.903 0.322 1.00 . A X . 15 LYS HD3 1 1 5 1982 1 1 15 LYS HE2 H -1.410 -6.593 2.396 1.00 . A X . 15 LYS HE2 1 1 5 1983 1 1 15 LYS HE3 H -1.015 -4.899 2.126 1.00 . A X . 15 LYS HE3 1 1 5 1984 1 1 15 LYS HG2 H -2.501 -3.480 0.762 1.00 . A X . 15 LYS HG2 1 1 5 1985 1 1 15 LYS HG3 H -3.844 -3.764 1.872 1.00 . A X . 15 LYS HG3 1 1 5 1986 1 1 15 LYS HZ1 H -2.576 -4.219 3.734 1.00 . A X . 15 LYS HZ1 1 1 5 1987 1 1 15 LYS HZ2 H -1.747 -5.522 4.438 1.00 . A X . 15 LYS HZ2 1 1 5 1988 1 1 15 LYS HZ3 H -3.302 -5.750 3.805 1.00 . A X . 15 LYS HZ3 1 1 5 1989 1 1 15 LYS N N -3.691 -1.833 -0.970 1.00 . A X . 15 LYS N 1 1 5 1990 1 1 15 LYS NZ N -2.398 -5.247 3.671 1.00 . A X . 15 LYS NZ 1 1 5 1991 1 1 15 LYS O O -6.719 -2.457 0.880 1.00 . A X . 15 LYS O 1 1 5 1992 1 1 16 ALA C C -6.254 0.874 2.023 1.00 . A X . 16 ALA C 1 1 5 1993 1 1 16 ALA CA C -5.634 -0.456 2.420 1.00 . A X . 16 ALA CA 1 1 5 1994 1 1 16 ALA CB C -4.637 -0.256 3.545 1.00 . A X . 16 ALA CB 1 1 5 1995 1 1 16 ALA H H -4.090 -0.813 1.022 1.00 . A X . 16 ALA H 1 1 5 1996 1 1 16 ALA HA H -6.416 -1.111 2.773 1.00 . A X . 16 ALA HA 1 1 5 1997 1 1 16 ALA HB1 H -4.207 -1.207 3.821 1.00 . A X . 16 ALA HB1 1 1 5 1998 1 1 16 ALA HB2 H -5.136 0.175 4.401 1.00 . A X . 16 ALA HB2 1 1 5 1999 1 1 16 ALA HB3 H -3.852 0.410 3.216 1.00 . A X . 16 ALA HB3 1 1 5 2000 1 1 16 ALA N N -4.987 -1.099 1.287 1.00 . A X . 16 ALA N 1 1 5 2001 1 1 16 ALA O O -7.107 1.405 2.732 1.00 . A X . 16 ALA O 1 1 5 2002 1 1 17 LEU C C -7.647 2.574 -0.244 1.00 . A X . 17 LEU C 1 1 5 2003 1 1 17 LEU CA C -6.308 2.705 0.454 1.00 . A X . 17 LEU CA 1 1 5 2004 1 1 17 LEU CB C -5.287 3.353 -0.482 1.00 . A X . 17 LEU CB 1 1 5 2005 1 1 17 LEU CD1 C -5.686 5.710 0.254 1.00 . A X . 17 LEU CD1 1 1 5 2006 1 1 17 LEU CD2 C -4.624 5.257 -1.961 1.00 . A X . 17 LEU CD2 1 1 5 2007 1 1 17 LEU CG C -5.633 4.769 -0.936 1.00 . A X . 17 LEU CG 1 1 5 2008 1 1 17 LEU H H -5.253 0.888 0.293 1.00 . A X . 17 LEU H 1 1 5 2009 1 1 17 LEU HA H -6.428 3.322 1.332 1.00 . A X . 17 LEU HA 1 1 5 2010 1 1 17 LEU HB2 H -4.334 3.381 0.025 1.00 . A X . 17 LEU HB2 1 1 5 2011 1 1 17 LEU HB3 H -5.190 2.733 -1.361 1.00 . A X . 17 LEU HB3 1 1 5 2012 1 1 17 LEU HD11 H -6.432 5.362 0.954 1.00 . A X . 17 LEU HD11 1 1 5 2013 1 1 17 LEU HD12 H -5.944 6.702 -0.084 1.00 . A X . 17 LEU HD12 1 1 5 2014 1 1 17 LEU HD13 H -4.722 5.732 0.737 1.00 . A X . 17 LEU HD13 1 1 5 2015 1 1 17 LEU HD21 H -4.899 6.249 -2.290 1.00 . A X . 17 LEU HD21 1 1 5 2016 1 1 17 LEU HD22 H -4.617 4.585 -2.807 1.00 . A X . 17 LEU HD22 1 1 5 2017 1 1 17 LEU HD23 H -3.643 5.285 -1.514 1.00 . A X . 17 LEU HD23 1 1 5 2018 1 1 17 LEU HG H -6.608 4.763 -1.400 1.00 . A X . 17 LEU HG 1 1 5 2019 1 1 17 LEU N N -5.848 1.400 0.879 1.00 . A X . 17 LEU N 1 1 5 2020 1 1 17 LEU O O -8.609 3.253 0.093 1.00 . A X . 17 LEU O 1 1 5 2021 1 1 18 ALA C C -9.942 0.670 -1.243 1.00 . A X . 18 ALA C 1 1 5 2022 1 1 18 ALA CA C -8.895 1.474 -1.995 1.00 . A X . 18 ALA CA 1 1 5 2023 1 1 18 ALA CB C -8.544 0.801 -3.314 1.00 . A X . 18 ALA CB 1 1 5 2024 1 1 18 ALA H H -6.944 1.056 -1.320 1.00 . A X . 18 ALA H 1 1 5 2025 1 1 18 ALA HA H -9.289 2.453 -2.207 1.00 . A X . 18 ALA HA 1 1 5 2026 1 1 18 ALA HB1 H -9.438 0.678 -3.906 1.00 . A X . 18 ALA HB1 1 1 5 2027 1 1 18 ALA HB2 H -8.104 -0.165 -3.122 1.00 . A X . 18 ALA HB2 1 1 5 2028 1 1 18 ALA HB3 H -7.839 1.416 -3.853 1.00 . A X . 18 ALA HB3 1 1 5 2029 1 1 18 ALA N N -7.709 1.648 -1.183 1.00 . A X . 18 ALA N 1 1 5 2030 1 1 18 ALA O O -11.116 0.649 -1.614 1.00 . A X . 18 ALA O 1 1 5 2031 1 1 19 LEU C C -11.514 0.012 1.244 1.00 . A X . 19 LEU C 1 1 5 2032 1 1 19 LEU CA C -10.390 -0.813 0.627 1.00 . A X . 19 LEU CA 1 1 5 2033 1 1 19 LEU CB C -9.591 -1.522 1.726 1.00 . A X . 19 LEU CB 1 1 5 2034 1 1 19 LEU CD1 C -11.016 -3.590 1.730 1.00 . A X . 19 LEU CD1 1 1 5 2035 1 1 19 LEU CD2 C -9.493 -3.115 3.657 1.00 . A X . 19 LEU CD2 1 1 5 2036 1 1 19 LEU CG C -10.388 -2.502 2.589 1.00 . A X . 19 LEU CG 1 1 5 2037 1 1 19 LEU H H -8.569 0.115 0.100 1.00 . A X . 19 LEU H 1 1 5 2038 1 1 19 LEU HA H -10.822 -1.557 -0.026 1.00 . A X . 19 LEU HA 1 1 5 2039 1 1 19 LEU HB2 H -8.780 -2.063 1.261 1.00 . A X . 19 LEU HB2 1 1 5 2040 1 1 19 LEU HB3 H -9.170 -0.768 2.377 1.00 . A X . 19 LEU HB3 1 1 5 2041 1 1 19 LEU HD11 H -11.678 -3.139 1.006 1.00 . A X . 19 LEU HD11 1 1 5 2042 1 1 19 LEU HD12 H -11.578 -4.265 2.360 1.00 . A X . 19 LEU HD12 1 1 5 2043 1 1 19 LEU HD13 H -10.242 -4.138 1.215 1.00 . A X . 19 LEU HD13 1 1 5 2044 1 1 19 LEU HD21 H -9.093 -2.333 4.283 1.00 . A X . 19 LEU HD21 1 1 5 2045 1 1 19 LEU HD22 H -8.680 -3.646 3.184 1.00 . A X . 19 LEU HD22 1 1 5 2046 1 1 19 LEU HD23 H -10.068 -3.803 4.260 1.00 . A X . 19 LEU HD23 1 1 5 2047 1 1 19 LEU HG H -11.184 -1.968 3.087 1.00 . A X . 19 LEU HG 1 1 5 2048 1 1 19 LEU N N -9.510 0.024 -0.168 1.00 . A X . 19 LEU N 1 1 5 2049 1 1 19 LEU O O -12.687 -0.301 1.064 1.00 . A X . 19 LEU O 1 1 5 2050 1 1 20 LYS C C -12.635 3.085 1.937 1.00 . A X . 20 LYS C 1 1 5 2051 1 1 20 LYS CA C -12.140 1.857 2.691 1.00 . A X . 20 LYS CA 1 1 5 2052 1 1 20 LYS CB C -11.575 2.279 4.049 1.00 . A X . 20 LYS CB 1 1 5 2053 1 1 20 LYS CD C -11.204 -0.008 5.052 1.00 . A X . 20 LYS CD 1 1 5 2054 1 1 20 LYS CE C -11.646 -0.985 6.132 1.00 . A X . 20 LYS CE 1 1 5 2055 1 1 20 LYS CG C -11.919 1.325 5.184 1.00 . A X . 20 LYS CG 1 1 5 2056 1 1 20 LYS H H -10.215 1.388 1.899 1.00 . A X . 20 LYS H 1 1 5 2057 1 1 20 LYS HA H -12.986 1.207 2.863 1.00 . A X . 20 LYS HA 1 1 5 2058 1 1 20 LYS HB2 H -10.500 2.339 3.974 1.00 . A X . 20 LYS HB2 1 1 5 2059 1 1 20 LYS HB3 H -11.965 3.254 4.299 1.00 . A X . 20 LYS HB3 1 1 5 2060 1 1 20 LYS HD2 H -11.429 -0.431 4.084 1.00 . A X . 20 LYS HD2 1 1 5 2061 1 1 20 LYS HD3 H -10.140 0.154 5.138 1.00 . A X . 20 LYS HD3 1 1 5 2062 1 1 20 LYS HE2 H -12.698 -1.190 6.003 1.00 . A X . 20 LYS HE2 1 1 5 2063 1 1 20 LYS HE3 H -11.088 -1.902 6.018 1.00 . A X . 20 LYS HE3 1 1 5 2064 1 1 20 LYS HG2 H -11.631 1.779 6.120 1.00 . A X . 20 LYS HG2 1 1 5 2065 1 1 20 LYS HG3 H -12.986 1.151 5.181 1.00 . A X . 20 LYS HG3 1 1 5 2066 1 1 20 LYS HZ1 H -12.027 0.386 7.669 1.00 . A X . 20 LYS HZ1 1 1 5 2067 1 1 20 LYS HZ2 H -10.428 -0.172 7.628 1.00 . A X . 20 LYS HZ2 1 1 5 2068 1 1 20 LYS HZ3 H -11.663 -1.180 8.214 1.00 . A X . 20 LYS HZ3 1 1 5 2069 1 1 20 LYS N N -11.155 1.090 1.927 1.00 . A X . 20 LYS N 1 1 5 2070 1 1 20 LYS NZ N -11.425 -0.451 7.504 1.00 . A X . 20 LYS NZ 1 1 5 2071 1 1 20 LYS O O -13.425 3.865 2.467 1.00 . A X . 20 LYS O 1 1 5 2072 1 1 21 LEU C C -13.779 4.030 -0.997 1.00 . A X . 21 LEU C 1 1 5 2073 1 1 21 LEU CA C -12.619 4.407 -0.085 1.00 . A X . 21 LEU CA 1 1 5 2074 1 1 21 LEU CB C -11.464 4.980 -0.907 1.00 . A X . 21 LEU CB 1 1 5 2075 1 1 21 LEU CD1 C -9.311 6.256 -1.010 1.00 . A X . 21 LEU CD1 1 1 5 2076 1 1 21 LEU CD2 C -10.964 6.750 0.801 1.00 . A X . 21 LEU CD2 1 1 5 2077 1 1 21 LEU CG C -10.368 5.670 -0.091 1.00 . A X . 21 LEU CG 1 1 5 2078 1 1 21 LEU H H -11.536 2.633 0.332 1.00 . A X . 21 LEU H 1 1 5 2079 1 1 21 LEU HA H -12.963 5.164 0.602 1.00 . A X . 21 LEU HA 1 1 5 2080 1 1 21 LEU HB2 H -11.013 4.172 -1.466 1.00 . A X . 21 LEU HB2 1 1 5 2081 1 1 21 LEU HB3 H -11.868 5.698 -1.606 1.00 . A X . 21 LEU HB3 1 1 5 2082 1 1 21 LEU HD11 H -9.767 6.980 -1.668 1.00 . A X . 21 LEU HD11 1 1 5 2083 1 1 21 LEU HD12 H -8.866 5.466 -1.596 1.00 . A X . 21 LEU HD12 1 1 5 2084 1 1 21 LEU HD13 H -8.547 6.738 -0.419 1.00 . A X . 21 LEU HD13 1 1 5 2085 1 1 21 LEU HD21 H -10.177 7.215 1.376 1.00 . A X . 21 LEU HD21 1 1 5 2086 1 1 21 LEU HD22 H -11.685 6.307 1.471 1.00 . A X . 21 LEU HD22 1 1 5 2087 1 1 21 LEU HD23 H -11.450 7.495 0.190 1.00 . A X . 21 LEU HD23 1 1 5 2088 1 1 21 LEU HG H -9.888 4.939 0.543 1.00 . A X . 21 LEU HG 1 1 5 2089 1 1 21 LEU N N -12.180 3.265 0.709 1.00 . A X . 21 LEU N 1 1 5 2090 1 1 21 LEU O O -14.473 4.901 -1.524 1.00 . A X . 21 LEU O 1 1 5 2091 1 1 22 LYS C C -15.927 1.223 -1.318 1.00 . A X . 22 LYS C 1 1 5 2092 1 1 22 LYS CA C -15.077 2.266 -2.032 1.00 . A X . 22 LYS CA 1 1 5 2093 1 1 22 LYS CB C -14.527 1.704 -3.346 1.00 . A X . 22 LYS CB 1 1 5 2094 1 1 22 LYS CD C -13.423 2.220 -5.548 1.00 . A X . 22 LYS CD 1 1 5 2095 1 1 22 LYS CE C -14.671 2.016 -6.389 1.00 . A X . 22 LYS CE 1 1 5 2096 1 1 22 LYS CG C -13.761 2.733 -4.161 1.00 . A X . 22 LYS CG 1 1 5 2097 1 1 22 LYS H H -13.426 2.085 -0.718 1.00 . A X . 22 LYS H 1 1 5 2098 1 1 22 LYS HA H -15.702 3.118 -2.256 1.00 . A X . 22 LYS HA 1 1 5 2099 1 1 22 LYS HB2 H -13.862 0.882 -3.125 1.00 . A X . 22 LYS HB2 1 1 5 2100 1 1 22 LYS HB3 H -15.350 1.341 -3.944 1.00 . A X . 22 LYS HB3 1 1 5 2101 1 1 22 LYS HD2 H -12.783 2.937 -6.040 1.00 . A X . 22 LYS HD2 1 1 5 2102 1 1 22 LYS HD3 H -12.903 1.276 -5.453 1.00 . A X . 22 LYS HD3 1 1 5 2103 1 1 22 LYS HE2 H -15.262 1.223 -5.953 1.00 . A X . 22 LYS HE2 1 1 5 2104 1 1 22 LYS HE3 H -15.244 2.932 -6.391 1.00 . A X . 22 LYS HE3 1 1 5 2105 1 1 22 LYS HG2 H -14.364 3.622 -4.258 1.00 . A X . 22 LYS HG2 1 1 5 2106 1 1 22 LYS HG3 H -12.844 2.974 -3.643 1.00 . A X . 22 LYS HG3 1 1 5 2107 1 1 22 LYS HZ1 H -13.812 0.752 -7.813 1.00 . A X . 22 LYS HZ1 1 1 5 2108 1 1 22 LYS HZ2 H -13.739 2.399 -8.217 1.00 . A X . 22 LYS HZ2 1 1 5 2109 1 1 22 LYS HZ3 H -15.203 1.558 -8.361 1.00 . A X . 22 LYS HZ3 1 1 5 2110 1 1 22 LYS N N -13.995 2.735 -1.176 1.00 . A X . 22 LYS N 1 1 5 2111 1 1 22 LYS NZ N -14.334 1.654 -7.790 1.00 . A X . 22 LYS NZ 1 1 5 2112 1 1 22 LYS O O -17.153 1.219 -1.443 1.00 . A X . 22 LYS O 1 1 5 2113 1 1 23 LYS C C -16.230 -0.188 1.619 1.00 . A X . 23 LYS C 1 1 5 2114 1 1 23 LYS CA C -16.003 -0.666 0.190 1.00 . A X . 23 LYS CA 1 1 5 2115 1 1 23 LYS CB C -15.251 -2.002 0.184 1.00 . A X . 23 LYS CB 1 1 5 2116 1 1 23 LYS CD C -16.327 -2.736 -1.972 1.00 . A X . 23 LYS CD 1 1 5 2117 1 1 23 LYS CE C -16.100 -3.395 -3.322 1.00 . A X . 23 LYS CE 1 1 5 2118 1 1 23 LYS CG C -15.021 -2.569 -1.209 1.00 . A X . 23 LYS CG 1 1 5 2119 1 1 23 LYS H H -14.308 0.373 -0.514 1.00 . A X . 23 LYS H 1 1 5 2120 1 1 23 LYS HA H -16.960 -0.803 -0.285 1.00 . A X . 23 LYS HA 1 1 5 2121 1 1 23 LYS HB2 H -14.288 -1.863 0.656 1.00 . A X . 23 LYS HB2 1 1 5 2122 1 1 23 LYS HB3 H -15.819 -2.722 0.754 1.00 . A X . 23 LYS HB3 1 1 5 2123 1 1 23 LYS HD2 H -16.997 -3.350 -1.390 1.00 . A X . 23 LYS HD2 1 1 5 2124 1 1 23 LYS HD3 H -16.768 -1.763 -2.125 1.00 . A X . 23 LYS HD3 1 1 5 2125 1 1 23 LYS HE2 H -17.027 -3.380 -3.877 1.00 . A X . 23 LYS HE2 1 1 5 2126 1 1 23 LYS HE3 H -15.351 -2.832 -3.860 1.00 . A X . 23 LYS HE3 1 1 5 2127 1 1 23 LYS HG2 H -14.381 -1.897 -1.759 1.00 . A X . 23 LYS HG2 1 1 5 2128 1 1 23 LYS HG3 H -14.541 -3.534 -1.120 1.00 . A X . 23 LYS HG3 1 1 5 2129 1 1 23 LYS HZ1 H -14.773 -4.848 -2.607 1.00 . A X . 23 LYS HZ1 1 1 5 2130 1 1 23 LYS HZ2 H -15.445 -5.214 -4.122 1.00 . A X . 23 LYS HZ2 1 1 5 2131 1 1 23 LYS HZ3 H -16.382 -5.372 -2.717 1.00 . A X . 23 LYS HZ3 1 1 5 2132 1 1 23 LYS N N -15.283 0.342 -0.566 1.00 . A X . 23 LYS N 1 1 5 2133 1 1 23 LYS NZ N -15.644 -4.803 -3.182 1.00 . A X . 23 LYS NZ 1 1 5 2134 1 1 23 LYS O O -15.405 -0.415 2.504 1.00 . A X . 23 LYS O 1 1 5 2135 1 1 24 ALA C C -19.177 0.845 3.390 1.00 . A X . 24 ALA C 1 1 5 2136 1 1 24 ALA CA C -17.688 1.021 3.134 1.00 . A X . 24 ALA CA 1 1 5 2137 1 1 24 ALA CB C -17.299 2.490 3.225 1.00 . A X . 24 ALA CB 1 1 5 2138 1 1 24 ALA H H -17.973 0.620 1.084 1.00 . A X . 24 ALA H 1 1 5 2139 1 1 24 ALA HA H -17.131 0.473 3.881 1.00 . A X . 24 ALA HA 1 1 5 2140 1 1 24 ALA HB1 H -17.847 3.053 2.483 1.00 . A X . 24 ALA HB1 1 1 5 2141 1 1 24 ALA HB2 H -16.238 2.594 3.046 1.00 . A X . 24 ALA HB2 1 1 5 2142 1 1 24 ALA HB3 H -17.537 2.867 4.209 1.00 . A X . 24 ALA HB3 1 1 5 2143 1 1 24 ALA N N -17.348 0.486 1.830 1.00 . A X . 24 ALA N 1 1 5 2144 1 1 24 ALA O O -19.551 -0.088 4.127 1.00 . A X . 24 ALA O 1 1 5 2145 1 1 24 ALA OXT O -19.973 1.611 2.809 1.00 . A X . 24 ALA OXT 1 1 6 2146 1 1 1 LYS C C 14.315 -9.652 -4.077 1.00 . A X . 1 LYS C 1 1 6 2147 1 1 1 LYS CA C 13.965 -10.309 -5.405 1.00 . A X . 1 LYS CA 1 1 6 2148 1 1 1 LYS CB C 14.042 -11.834 -5.275 1.00 . A X . 1 LYS CB 1 1 6 2149 1 1 1 LYS CD C 15.494 -13.868 -5.011 1.00 . A X . 1 LYS CD 1 1 6 2150 1 1 1 LYS CE C 16.908 -14.410 -5.142 1.00 . A X . 1 LYS CE 1 1 6 2151 1 1 1 LYS CG C 15.463 -12.358 -5.159 1.00 . A X . 1 LYS CG 1 1 6 2152 1 1 1 LYS H1 H 14.733 -8.822 -6.646 1.00 . A X . 1 LYS H1 1 1 6 2153 1 1 1 LYS H2 H 14.704 -10.362 -7.359 1.00 . A X . 1 LYS H2 1 1 6 2154 1 1 1 LYS H3 H 15.871 -9.987 -6.186 1.00 . A X . 1 LYS H3 1 1 6 2155 1 1 1 LYS HA H 12.956 -10.030 -5.674 1.00 . A X . 1 LYS HA 1 1 6 2156 1 1 1 LYS HB2 H 13.495 -12.137 -4.393 1.00 . A X . 1 LYS HB2 1 1 6 2157 1 1 1 LYS HB3 H 13.585 -12.283 -6.145 1.00 . A X . 1 LYS HB3 1 1 6 2158 1 1 1 LYS HD2 H 15.108 -14.133 -4.038 1.00 . A X . 1 LYS HD2 1 1 6 2159 1 1 1 LYS HD3 H 14.875 -14.310 -5.778 1.00 . A X . 1 LYS HD3 1 1 6 2160 1 1 1 LYS HE2 H 17.542 -13.900 -4.433 1.00 . A X . 1 LYS HE2 1 1 6 2161 1 1 1 LYS HE3 H 16.897 -15.467 -4.920 1.00 . A X . 1 LYS HE3 1 1 6 2162 1 1 1 LYS HG2 H 16.011 -12.080 -6.047 1.00 . A X . 1 LYS HG2 1 1 6 2163 1 1 1 LYS HG3 H 15.928 -11.911 -4.293 1.00 . A X . 1 LYS HG3 1 1 6 2164 1 1 1 LYS HZ1 H 18.414 -14.601 -6.580 1.00 . A X . 1 LYS HZ1 1 1 6 2165 1 1 1 LYS HZ2 H 17.491 -13.191 -6.740 1.00 . A X . 1 LYS HZ2 1 1 6 2166 1 1 1 LYS HZ3 H 16.844 -14.683 -7.212 1.00 . A X . 1 LYS HZ3 1 1 6 2167 1 1 1 LYS N N 14.878 -9.839 -6.474 1.00 . A X . 1 LYS N 1 1 6 2168 1 1 1 LYS NZ N 17.451 -14.207 -6.512 1.00 . A X . 1 LYS NZ 1 1 6 2169 1 1 1 LYS O O 15.323 -8.956 -3.978 1.00 . A X . 1 LYS O 1 1 6 2170 1 1 2 LYS C C 13.991 -7.871 -1.693 1.00 . A X . 2 LYS C 1 1 6 2171 1 1 2 LYS CA C 13.694 -9.367 -1.711 1.00 . A X . 2 LYS CA 1 1 6 2172 1 1 2 LYS CB C 14.836 -10.133 -1.038 1.00 . A X . 2 LYS CB 1 1 6 2173 1 1 2 LYS CD C 15.598 -12.245 0.083 1.00 . A X . 2 LYS CD 1 1 6 2174 1 1 2 LYS CE C 16.959 -12.274 -0.599 1.00 . A X . 2 LYS CE 1 1 6 2175 1 1 2 LYS CG C 14.533 -11.602 -0.798 1.00 . A X . 2 LYS CG 1 1 6 2176 1 1 2 LYS H H 12.638 -10.377 -3.248 1.00 . A X . 2 LYS H 1 1 6 2177 1 1 2 LYS HA H 12.789 -9.537 -1.148 1.00 . A X . 2 LYS HA 1 1 6 2178 1 1 2 LYS HB2 H 15.714 -10.071 -1.663 1.00 . A X . 2 LYS HB2 1 1 6 2179 1 1 2 LYS HB3 H 15.050 -9.672 -0.086 1.00 . A X . 2 LYS HB3 1 1 6 2180 1 1 2 LYS HD2 H 15.680 -11.680 0.998 1.00 . A X . 2 LYS HD2 1 1 6 2181 1 1 2 LYS HD3 H 15.298 -13.257 0.308 1.00 . A X . 2 LYS HD3 1 1 6 2182 1 1 2 LYS HE2 H 16.931 -12.998 -1.399 1.00 . A X . 2 LYS HE2 1 1 6 2183 1 1 2 LYS HE3 H 17.168 -11.296 -1.004 1.00 . A X . 2 LYS HE3 1 1 6 2184 1 1 2 LYS HG2 H 13.572 -11.690 -0.313 1.00 . A X . 2 LYS HG2 1 1 6 2185 1 1 2 LYS HG3 H 14.508 -12.113 -1.750 1.00 . A X . 2 LYS HG3 1 1 6 2186 1 1 2 LYS HZ1 H 18.928 -12.829 -0.163 1.00 . A X . 2 LYS HZ1 1 1 6 2187 1 1 2 LYS HZ2 H 17.774 -13.504 0.882 1.00 . A X . 2 LYS HZ2 1 1 6 2188 1 1 2 LYS HZ3 H 18.199 -11.868 1.029 1.00 . A X . 2 LYS HZ3 1 1 6 2189 1 1 2 LYS N N 13.462 -9.864 -3.071 1.00 . A X . 2 LYS N 1 1 6 2190 1 1 2 LYS NZ N 18.040 -12.647 0.352 1.00 . A X . 2 LYS NZ 1 1 6 2191 1 1 2 LYS O O 14.882 -7.411 -0.979 1.00 . A X . 2 LYS O 1 1 6 2192 1 1 3 LEU C C 12.046 -5.023 -2.809 1.00 . A X . 3 LEU C 1 1 6 2193 1 1 3 LEU CA C 13.392 -5.673 -2.517 1.00 . A X . 3 LEU CA 1 1 6 2194 1 1 3 LEU CB C 14.430 -5.245 -3.560 1.00 . A X . 3 LEU CB 1 1 6 2195 1 1 3 LEU CD1 C 15.288 -3.226 -2.334 1.00 . A X . 3 LEU CD1 1 1 6 2196 1 1 3 LEU CD2 C 15.620 -3.420 -4.804 1.00 . A X . 3 LEU CD2 1 1 6 2197 1 1 3 LEU CG C 14.698 -3.738 -3.639 1.00 . A X . 3 LEU CG 1 1 6 2198 1 1 3 LEU H H 12.610 -7.550 -3.093 1.00 . A X . 3 LEU H 1 1 6 2199 1 1 3 LEU HA H 13.723 -5.357 -1.539 1.00 . A X . 3 LEU HA 1 1 6 2200 1 1 3 LEU HB2 H 15.362 -5.743 -3.332 1.00 . A X . 3 LEU HB2 1 1 6 2201 1 1 3 LEU HB3 H 14.092 -5.578 -4.530 1.00 . A X . 3 LEU HB3 1 1 6 2202 1 1 3 LEU HD11 H 16.224 -3.729 -2.139 1.00 . A X . 3 LEU HD11 1 1 6 2203 1 1 3 LEU HD12 H 14.598 -3.423 -1.526 1.00 . A X . 3 LEU HD12 1 1 6 2204 1 1 3 LEU HD13 H 15.459 -2.163 -2.410 1.00 . A X . 3 LEU HD13 1 1 6 2205 1 1 3 LEU HD21 H 15.157 -3.739 -5.727 1.00 . A X . 3 LEU HD21 1 1 6 2206 1 1 3 LEU HD22 H 16.557 -3.942 -4.675 1.00 . A X . 3 LEU HD22 1 1 6 2207 1 1 3 LEU HD23 H 15.804 -2.357 -4.841 1.00 . A X . 3 LEU HD23 1 1 6 2208 1 1 3 LEU HG H 13.764 -3.223 -3.803 1.00 . A X . 3 LEU HG 1 1 6 2209 1 1 3 LEU N N 13.254 -7.120 -2.496 1.00 . A X . 3 LEU N 1 1 6 2210 1 1 3 LEU O O 11.315 -4.646 -1.895 1.00 . A X . 3 LEU O 1 1 6 2211 1 1 4 LYS C C 9.358 -5.377 -4.588 1.00 . A X . 4 LYS C 1 1 6 2212 1 1 4 LYS CA C 10.451 -4.323 -4.484 1.00 . A X . 4 LYS CA 1 1 6 2213 1 1 4 LYS CB C 10.627 -3.574 -5.807 1.00 . A X . 4 LYS CB 1 1 6 2214 1 1 4 LYS CD C 11.553 -3.596 -8.146 1.00 . A X . 4 LYS CD 1 1 6 2215 1 1 4 LYS CE C 12.724 -2.682 -7.819 1.00 . A X . 4 LYS CE 1 1 6 2216 1 1 4 LYS CG C 11.156 -4.436 -6.944 1.00 . A X . 4 LYS CG 1 1 6 2217 1 1 4 LYS H H 12.310 -5.288 -4.766 1.00 . A X . 4 LYS H 1 1 6 2218 1 1 4 LYS HA H 10.173 -3.616 -3.715 1.00 . A X . 4 LYS HA 1 1 6 2219 1 1 4 LYS HB2 H 9.670 -3.171 -6.106 1.00 . A X . 4 LYS HB2 1 1 6 2220 1 1 4 LYS HB3 H 11.317 -2.758 -5.652 1.00 . A X . 4 LYS HB3 1 1 6 2221 1 1 4 LYS HD2 H 11.836 -4.253 -8.953 1.00 . A X . 4 LYS HD2 1 1 6 2222 1 1 4 LYS HD3 H 10.709 -2.992 -8.448 1.00 . A X . 4 LYS HD3 1 1 6 2223 1 1 4 LYS HE2 H 12.446 -2.043 -6.995 1.00 . A X . 4 LYS HE2 1 1 6 2224 1 1 4 LYS HE3 H 13.567 -3.292 -7.532 1.00 . A X . 4 LYS HE3 1 1 6 2225 1 1 4 LYS HG2 H 12.022 -4.979 -6.598 1.00 . A X . 4 LYS HG2 1 1 6 2226 1 1 4 LYS HG3 H 10.388 -5.135 -7.243 1.00 . A X . 4 LYS HG3 1 1 6 2227 1 1 4 LYS HZ1 H 13.324 -2.431 -9.806 1.00 . A X . 4 LYS HZ1 1 1 6 2228 1 1 4 LYS HZ2 H 13.961 -1.274 -8.745 1.00 . A X . 4 LYS HZ2 1 1 6 2229 1 1 4 LYS HZ3 H 12.334 -1.182 -9.221 1.00 . A X . 4 LYS HZ3 1 1 6 2230 1 1 4 LYS N N 11.704 -4.936 -4.081 1.00 . A X . 4 LYS N 1 1 6 2231 1 1 4 LYS NZ N 13.113 -1.834 -8.977 1.00 . A X . 4 LYS NZ 1 1 6 2232 1 1 4 LYS O O 8.197 -5.118 -4.269 1.00 . A X . 4 LYS O 1 1 6 2233 1 1 5 LEU C C 8.363 -8.122 -3.703 1.00 . A X . 5 LEU C 1 1 6 2234 1 1 5 LEU CA C 8.804 -7.688 -5.096 1.00 . A X . 5 LEU CA 1 1 6 2235 1 1 5 LEU CB C 9.445 -8.862 -5.846 1.00 . A X . 5 LEU CB 1 1 6 2236 1 1 5 LEU CD1 C 7.352 -9.652 -6.980 1.00 . A X . 5 LEU CD1 1 1 6 2237 1 1 5 LEU CD2 C 9.301 -11.199 -6.742 1.00 . A X . 5 LEU CD2 1 1 6 2238 1 1 5 LEU CG C 8.525 -10.059 -6.102 1.00 . A X . 5 LEU CG 1 1 6 2239 1 1 5 LEU H H 10.679 -6.722 -5.254 1.00 . A X . 5 LEU H 1 1 6 2240 1 1 5 LEU HA H 7.941 -7.343 -5.644 1.00 . A X . 5 LEU HA 1 1 6 2241 1 1 5 LEU HB2 H 9.800 -8.500 -6.800 1.00 . A X . 5 LEU HB2 1 1 6 2242 1 1 5 LEU HB3 H 10.292 -9.206 -5.272 1.00 . A X . 5 LEU HB3 1 1 6 2243 1 1 5 LEU HD11 H 6.793 -8.867 -6.492 1.00 . A X . 5 LEU HD11 1 1 6 2244 1 1 5 LEU HD12 H 6.709 -10.505 -7.140 1.00 . A X . 5 LEU HD12 1 1 6 2245 1 1 5 LEU HD13 H 7.719 -9.295 -7.931 1.00 . A X . 5 LEU HD13 1 1 6 2246 1 1 5 LEU HD21 H 8.638 -12.034 -6.914 1.00 . A X . 5 LEU HD21 1 1 6 2247 1 1 5 LEU HD22 H 10.100 -11.504 -6.081 1.00 . A X . 5 LEU HD22 1 1 6 2248 1 1 5 LEU HD23 H 9.718 -10.871 -7.682 1.00 . A X . 5 LEU HD23 1 1 6 2249 1 1 5 LEU HG H 8.130 -10.408 -5.158 1.00 . A X . 5 LEU HG 1 1 6 2250 1 1 5 LEU N N 9.742 -6.580 -4.998 1.00 . A X . 5 LEU N 1 1 6 2251 1 1 5 LEU O O 7.275 -8.656 -3.524 1.00 . A X . 5 LEU O 1 1 6 2252 1 1 6 ALA C C 7.776 -7.340 -0.774 1.00 . A X . 6 ALA C 1 1 6 2253 1 1 6 ALA CA C 8.908 -8.202 -1.329 1.00 . A X . 6 ALA CA 1 1 6 2254 1 1 6 ALA CB C 10.156 -8.061 -0.468 1.00 . A X . 6 ALA CB 1 1 6 2255 1 1 6 ALA H H 10.043 -7.388 -2.916 1.00 . A X . 6 ALA H 1 1 6 2256 1 1 6 ALA HA H 8.600 -9.238 -1.310 1.00 . A X . 6 ALA HA 1 1 6 2257 1 1 6 ALA HB1 H 9.935 -8.378 0.540 1.00 . A X . 6 ALA HB1 1 1 6 2258 1 1 6 ALA HB2 H 10.474 -7.029 -0.461 1.00 . A X . 6 ALA HB2 1 1 6 2259 1 1 6 ALA HB3 H 10.945 -8.679 -0.873 1.00 . A X . 6 ALA HB3 1 1 6 2260 1 1 6 ALA N N 9.204 -7.846 -2.712 1.00 . A X . 6 ALA N 1 1 6 2261 1 1 6 ALA O O 7.194 -7.648 0.267 1.00 . A X . 6 ALA O 1 1 6 2262 1 1 7 LEU C C 5.246 -5.393 -2.026 1.00 . A X . 7 LEU C 1 1 6 2263 1 1 7 LEU CA C 6.424 -5.344 -1.062 1.00 . A X . 7 LEU CA 1 1 6 2264 1 1 7 LEU CB C 6.987 -3.922 -0.984 1.00 . A X . 7 LEU CB 1 1 6 2265 1 1 7 LEU CD1 C 5.662 -3.189 1.016 1.00 . A X . 7 LEU CD1 1 1 6 2266 1 1 7 LEU CD2 C 6.642 -1.485 -0.526 1.00 . A X . 7 LEU CD2 1 1 6 2267 1 1 7 LEU CG C 6.027 -2.871 -0.425 1.00 . A X . 7 LEU CG 1 1 6 2268 1 1 7 LEU H H 7.918 -6.112 -2.339 1.00 . A X . 7 LEU H 1 1 6 2269 1 1 7 LEU HA H 6.088 -5.648 -0.082 1.00 . A X . 7 LEU HA 1 1 6 2270 1 1 7 LEU HB2 H 7.870 -3.942 -0.362 1.00 . A X . 7 LEU HB2 1 1 6 2271 1 1 7 LEU HB3 H 7.276 -3.619 -1.979 1.00 . A X . 7 LEU HB3 1 1 6 2272 1 1 7 LEU HD11 H 5.163 -4.146 1.060 1.00 . A X . 7 LEU HD11 1 1 6 2273 1 1 7 LEU HD12 H 5.004 -2.421 1.396 1.00 . A X . 7 LEU HD12 1 1 6 2274 1 1 7 LEU HD13 H 6.560 -3.222 1.615 1.00 . A X . 7 LEU HD13 1 1 6 2275 1 1 7 LEU HD21 H 6.869 -1.264 -1.558 1.00 . A X . 7 LEU HD21 1 1 6 2276 1 1 7 LEU HD22 H 7.548 -1.451 0.059 1.00 . A X . 7 LEU HD22 1 1 6 2277 1 1 7 LEU HD23 H 5.941 -0.755 -0.149 1.00 . A X . 7 LEU HD23 1 1 6 2278 1 1 7 LEU HG H 5.116 -2.879 -1.008 1.00 . A X . 7 LEU HG 1 1 6 2279 1 1 7 LEU N N 7.456 -6.271 -1.489 1.00 . A X . 7 LEU N 1 1 6 2280 1 1 7 LEU O O 4.101 -5.152 -1.645 1.00 . A X . 7 LEU O 1 1 6 2281 1 1 8 ALA C C 3.658 -7.094 -4.112 1.00 . A X . 8 ALA C 1 1 6 2282 1 1 8 ALA CA C 4.511 -5.844 -4.308 1.00 . A X . 8 ALA CA 1 1 6 2283 1 1 8 ALA CB C 5.152 -5.847 -5.688 1.00 . A X . 8 ALA CB 1 1 6 2284 1 1 8 ALA H H 6.471 -5.908 -3.518 1.00 . A X . 8 ALA H 1 1 6 2285 1 1 8 ALA HA H 3.876 -4.971 -4.235 1.00 . A X . 8 ALA HA 1 1 6 2286 1 1 8 ALA HB1 H 4.380 -5.883 -6.445 1.00 . A X . 8 ALA HB1 1 1 6 2287 1 1 8 ALA HB2 H 5.791 -6.712 -5.786 1.00 . A X . 8 ALA HB2 1 1 6 2288 1 1 8 ALA HB3 H 5.740 -4.950 -5.816 1.00 . A X . 8 ALA HB3 1 1 6 2289 1 1 8 ALA N N 5.535 -5.737 -3.276 1.00 . A X . 8 ALA N 1 1 6 2290 1 1 8 ALA O O 2.729 -7.345 -4.874 1.00 . A X . 8 ALA O 1 1 6 2291 1 1 9 LYS C C 2.380 -8.772 -1.504 1.00 . A X . 9 LYS C 1 1 6 2292 1 1 9 LYS CA C 3.202 -9.057 -2.750 1.00 . A X . 9 LYS CA 1 1 6 2293 1 1 9 LYS CB C 4.102 -10.276 -2.509 1.00 . A X . 9 LYS CB 1 1 6 2294 1 1 9 LYS CD C 4.244 -10.889 -4.963 1.00 . A X . 9 LYS CD 1 1 6 2295 1 1 9 LYS CE C 3.259 -12.039 -4.820 1.00 . A X . 9 LYS CE 1 1 6 2296 1 1 9 LYS CG C 5.014 -10.633 -3.676 1.00 . A X . 9 LYS CG 1 1 6 2297 1 1 9 LYS H H 4.755 -7.635 -2.537 1.00 . A X . 9 LYS H 1 1 6 2298 1 1 9 LYS HA H 2.538 -9.259 -3.573 1.00 . A X . 9 LYS HA 1 1 6 2299 1 1 9 LYS HB2 H 4.723 -10.080 -1.649 1.00 . A X . 9 LYS HB2 1 1 6 2300 1 1 9 LYS HB3 H 3.475 -11.129 -2.298 1.00 . A X . 9 LYS HB3 1 1 6 2301 1 1 9 LYS HD2 H 3.698 -9.995 -5.225 1.00 . A X . 9 LYS HD2 1 1 6 2302 1 1 9 LYS HD3 H 4.946 -11.124 -5.748 1.00 . A X . 9 LYS HD3 1 1 6 2303 1 1 9 LYS HE2 H 3.756 -12.868 -4.336 1.00 . A X . 9 LYS HE2 1 1 6 2304 1 1 9 LYS HE3 H 2.430 -11.711 -4.211 1.00 . A X . 9 LYS HE3 1 1 6 2305 1 1 9 LYS HG2 H 5.702 -9.819 -3.843 1.00 . A X . 9 LYS HG2 1 1 6 2306 1 1 9 LYS HG3 H 5.571 -11.524 -3.419 1.00 . A X . 9 LYS HG3 1 1 6 2307 1 1 9 LYS HZ1 H 1.942 -13.140 -6.014 1.00 . A X . 9 LYS HZ1 1 1 6 2308 1 1 9 LYS HZ2 H 3.495 -12.986 -6.662 1.00 . A X . 9 LYS HZ2 1 1 6 2309 1 1 9 LYS HZ3 H 2.429 -11.666 -6.707 1.00 . A X . 9 LYS HZ3 1 1 6 2310 1 1 9 LYS N N 3.983 -7.874 -3.088 1.00 . A X . 9 LYS N 1 1 6 2311 1 1 9 LYS NZ N 2.743 -12.486 -6.141 1.00 . A X . 9 LYS NZ 1 1 6 2312 1 1 9 LYS O O 1.670 -9.633 -0.989 1.00 . A X . 9 LYS O 1 1 6 2313 1 1 10 LEU C C 0.875 -5.941 -0.263 1.00 . A X . 10 LEU C 1 1 6 2314 1 1 10 LEU CA C 1.770 -7.098 0.146 1.00 . A X . 10 LEU CA 1 1 6 2315 1 1 10 LEU CB C 2.735 -6.645 1.250 1.00 . A X . 10 LEU CB 1 1 6 2316 1 1 10 LEU CD1 C 4.680 -7.106 2.760 1.00 . A X . 10 LEU CD1 1 1 6 2317 1 1 10 LEU CD2 C 2.938 -8.861 2.407 1.00 . A X . 10 LEU CD2 1 1 6 2318 1 1 10 LEU CG C 3.704 -7.713 1.764 1.00 . A X . 10 LEU CG 1 1 6 2319 1 1 10 LEU H H 3.118 -6.925 -1.462 1.00 . A X . 10 LEU H 1 1 6 2320 1 1 10 LEU HA H 1.164 -7.914 0.506 1.00 . A X . 10 LEU HA 1 1 6 2321 1 1 10 LEU HB2 H 3.316 -5.817 0.871 1.00 . A X . 10 LEU HB2 1 1 6 2322 1 1 10 LEU HB3 H 2.149 -6.294 2.087 1.00 . A X . 10 LEU HB3 1 1 6 2323 1 1 10 LEU HD11 H 4.133 -6.702 3.598 1.00 . A X . 10 LEU HD11 1 1 6 2324 1 1 10 LEU HD12 H 5.239 -6.315 2.281 1.00 . A X . 10 LEU HD12 1 1 6 2325 1 1 10 LEU HD13 H 5.361 -7.869 3.108 1.00 . A X . 10 LEU HD13 1 1 6 2326 1 1 10 LEU HD21 H 3.633 -9.615 2.743 1.00 . A X . 10 LEU HD21 1 1 6 2327 1 1 10 LEU HD22 H 2.263 -9.291 1.683 1.00 . A X . 10 LEU HD22 1 1 6 2328 1 1 10 LEU HD23 H 2.373 -8.489 3.249 1.00 . A X . 10 LEU HD23 1 1 6 2329 1 1 10 LEU HG H 4.272 -8.108 0.935 1.00 . A X . 10 LEU HG 1 1 6 2330 1 1 10 LEU N N 2.511 -7.550 -1.015 1.00 . A X . 10 LEU N 1 1 6 2331 1 1 10 LEU O O -0.328 -5.961 -0.002 1.00 . A X . 10 LEU O 1 1 6 2332 1 1 11 ALA C C -0.138 -3.164 -0.296 1.00 . A X . 11 ALA C 1 1 6 2333 1 1 11 ALA CA C 0.766 -3.756 -1.388 1.00 . A X . 11 ALA CA 1 1 6 2334 1 1 11 ALA CB C -0.043 -4.073 -2.641 1.00 . A X . 11 ALA CB 1 1 6 2335 1 1 11 ALA H H 2.434 -5.052 -1.149 1.00 . A X . 11 ALA H 1 1 6 2336 1 1 11 ALA HA H 1.510 -3.019 -1.653 1.00 . A X . 11 ALA HA 1 1 6 2337 1 1 11 ALA HB1 H -0.517 -3.171 -3.002 1.00 . A X . 11 ALA HB1 1 1 6 2338 1 1 11 ALA HB2 H -0.798 -4.809 -2.407 1.00 . A X . 11 ALA HB2 1 1 6 2339 1 1 11 ALA HB3 H 0.615 -4.463 -3.404 1.00 . A X . 11 ALA HB3 1 1 6 2340 1 1 11 ALA N N 1.475 -4.958 -0.935 1.00 . A X . 11 ALA N 1 1 6 2341 1 1 11 ALA O O -1.321 -2.909 -0.532 1.00 . A X . 11 ALA O 1 1 6 2342 1 1 12 PRO C C -1.065 -1.162 1.897 1.00 . A X . 12 PRO C 1 1 6 2343 1 1 12 PRO CA C -0.393 -2.517 2.068 1.00 . A X . 12 PRO CA 1 1 6 2344 1 1 12 PRO CB C 0.621 -2.477 3.213 1.00 . A X . 12 PRO CB 1 1 6 2345 1 1 12 PRO CD C 1.859 -2.904 1.213 1.00 . A X . 12 PRO CD 1 1 6 2346 1 1 12 PRO CG C 1.935 -2.231 2.555 1.00 . A X . 12 PRO CG 1 1 6 2347 1 1 12 PRO HA H -1.148 -3.261 2.280 1.00 . A X . 12 PRO HA 1 1 6 2348 1 1 12 PRO HB2 H 0.366 -1.679 3.895 1.00 . A X . 12 PRO HB2 1 1 6 2349 1 1 12 PRO HB3 H 0.615 -3.420 3.737 1.00 . A X . 12 PRO HB3 1 1 6 2350 1 1 12 PRO HD2 H 2.412 -2.340 0.479 1.00 . A X . 12 PRO HD2 1 1 6 2351 1 1 12 PRO HD3 H 2.236 -3.914 1.277 1.00 . A X . 12 PRO HD3 1 1 6 2352 1 1 12 PRO HG2 H 2.089 -1.169 2.432 1.00 . A X . 12 PRO HG2 1 1 6 2353 1 1 12 PRO HG3 H 2.729 -2.662 3.146 1.00 . A X . 12 PRO HG3 1 1 6 2354 1 1 12 PRO N N 0.415 -2.896 0.904 1.00 . A X . 12 PRO N 1 1 6 2355 1 1 12 PRO O O -2.202 -0.963 2.328 1.00 . A X . 12 PRO O 1 1 6 2356 1 1 13 LEU C C -2.150 1.083 0.226 1.00 . A X . 13 LEU C 1 1 6 2357 1 1 13 LEU CA C -0.868 1.106 1.047 1.00 . A X . 13 LEU CA 1 1 6 2358 1 1 13 LEU CB C 0.185 1.961 0.336 1.00 . A X . 13 LEU CB 1 1 6 2359 1 1 13 LEU CD1 C -0.470 4.198 1.270 1.00 . A X . 13 LEU CD1 1 1 6 2360 1 1 13 LEU CD2 C 0.785 4.062 -0.892 1.00 . A X . 13 LEU CD2 1 1 6 2361 1 1 13 LEU CG C -0.250 3.390 -0.001 1.00 . A X . 13 LEU CG 1 1 6 2362 1 1 13 LEU H H 0.522 -0.479 0.902 1.00 . A X . 13 LEU H 1 1 6 2363 1 1 13 LEU HA H -1.078 1.536 2.014 1.00 . A X . 13 LEU HA 1 1 6 2364 1 1 13 LEU HB2 H 1.060 2.013 0.967 1.00 . A X . 13 LEU HB2 1 1 6 2365 1 1 13 LEU HB3 H 0.456 1.466 -0.584 1.00 . A X . 13 LEU HB3 1 1 6 2366 1 1 13 LEU HD11 H -1.235 3.726 1.870 1.00 . A X . 13 LEU HD11 1 1 6 2367 1 1 13 LEU HD12 H -0.784 5.197 1.010 1.00 . A X . 13 LEU HD12 1 1 6 2368 1 1 13 LEU HD13 H 0.450 4.244 1.831 1.00 . A X . 13 LEU HD13 1 1 6 2369 1 1 13 LEU HD21 H 1.732 4.109 -0.373 1.00 . A X . 13 LEU HD21 1 1 6 2370 1 1 13 LEU HD22 H 0.458 5.062 -1.135 1.00 . A X . 13 LEU HD22 1 1 6 2371 1 1 13 LEU HD23 H 0.902 3.491 -1.801 1.00 . A X . 13 LEU HD23 1 1 6 2372 1 1 13 LEU HG H -1.185 3.357 -0.540 1.00 . A X . 13 LEU HG 1 1 6 2373 1 1 13 LEU N N -0.361 -0.242 1.253 1.00 . A X . 13 LEU N 1 1 6 2374 1 1 13 LEU O O -3.105 1.796 0.528 1.00 . A X . 13 LEU O 1 1 6 2375 1 1 14 TRP C C -4.438 -0.630 -1.262 1.00 . A X . 14 TRP C 1 1 6 2376 1 1 14 TRP CA C -3.270 0.224 -1.744 1.00 . A X . 14 TRP CA 1 1 6 2377 1 1 14 TRP CB C -2.760 -0.249 -3.105 1.00 . A X . 14 TRP CB 1 1 6 2378 1 1 14 TRP CD1 C -1.794 1.820 -4.265 1.00 . A X . 14 TRP CD1 1 1 6 2379 1 1 14 TRP CD2 C -0.248 0.357 -3.572 1.00 . A X . 14 TRP CD2 1 1 6 2380 1 1 14 TRP CE2 C 0.407 1.446 -4.176 1.00 . A X . 14 TRP CE2 1 1 6 2381 1 1 14 TRP CE3 C 0.522 -0.687 -3.057 1.00 . A X . 14 TRP CE3 1 1 6 2382 1 1 14 TRP CG C -1.657 0.619 -3.633 1.00 . A X . 14 TRP CG 1 1 6 2383 1 1 14 TRP CH2 C 2.521 0.477 -3.776 1.00 . A X . 14 TRP CH2 1 1 6 2384 1 1 14 TRP CZ2 C 1.793 1.516 -4.285 1.00 . A X . 14 TRP CZ2 1 1 6 2385 1 1 14 TRP CZ3 C 1.898 -0.618 -3.165 1.00 . A X . 14 TRP CZ3 1 1 6 2386 1 1 14 TRP H H -1.456 -0.427 -0.881 1.00 . A X . 14 TRP H 1 1 6 2387 1 1 14 TRP HA H -3.616 1.242 -1.843 1.00 . A X . 14 TRP HA 1 1 6 2388 1 1 14 TRP HB2 H -2.381 -1.256 -3.013 1.00 . A X . 14 TRP HB2 1 1 6 2389 1 1 14 TRP HB3 H -3.571 -0.236 -3.817 1.00 . A X . 14 TRP HB3 1 1 6 2390 1 1 14 TRP HD1 H -2.741 2.293 -4.472 1.00 . A X . 14 TRP HD1 1 1 6 2391 1 1 14 TRP HE1 H -0.391 3.187 -5.046 1.00 . A X . 14 TRP HE1 1 1 6 2392 1 1 14 TRP HE3 H 0.057 -1.542 -2.582 1.00 . A X . 14 TRP HE3 1 1 6 2393 1 1 14 TRP HH2 H 3.599 0.490 -3.837 1.00 . A X . 14 TRP HH2 1 1 6 2394 1 1 14 TRP HZ2 H 2.289 2.355 -4.751 1.00 . A X . 14 TRP HZ2 1 1 6 2395 1 1 14 TRP HZ3 H 2.508 -1.418 -2.774 1.00 . A X . 14 TRP HZ3 1 1 6 2396 1 1 14 TRP N N -2.181 0.226 -0.784 1.00 . A X . 14 TRP N 1 1 6 2397 1 1 14 TRP NE1 N -0.558 2.325 -4.591 1.00 . A X . 14 TRP NE1 1 1 6 2398 1 1 14 TRP O O -5.585 -0.377 -1.632 1.00 . A X . 14 TRP O 1 1 6 2399 1 1 15 LYS C C -6.191 -1.594 0.950 1.00 . A X . 15 LYS C 1 1 6 2400 1 1 15 LYS CA C -5.207 -2.447 0.159 1.00 . A X . 15 LYS CA 1 1 6 2401 1 1 15 LYS CB C -4.630 -3.529 1.077 1.00 . A X . 15 LYS CB 1 1 6 2402 1 1 15 LYS CD C -3.299 -5.653 1.288 1.00 . A X . 15 LYS CD 1 1 6 2403 1 1 15 LYS CE C -4.461 -6.616 1.496 1.00 . A X . 15 LYS CE 1 1 6 2404 1 1 15 LYS CG C -3.688 -4.495 0.380 1.00 . A X . 15 LYS CG 1 1 6 2405 1 1 15 LYS H H -3.216 -1.795 -0.182 1.00 . A X . 15 LYS H 1 1 6 2406 1 1 15 LYS HA H -5.735 -2.921 -0.657 1.00 . A X . 15 LYS HA 1 1 6 2407 1 1 15 LYS HB2 H -4.088 -3.051 1.878 1.00 . A X . 15 LYS HB2 1 1 6 2408 1 1 15 LYS HB3 H -5.446 -4.099 1.496 1.00 . A X . 15 LYS HB3 1 1 6 2409 1 1 15 LYS HD2 H -2.478 -6.191 0.837 1.00 . A X . 15 LYS HD2 1 1 6 2410 1 1 15 LYS HD3 H -2.992 -5.261 2.245 1.00 . A X . 15 LYS HD3 1 1 6 2411 1 1 15 LYS HE2 H -4.147 -7.404 2.165 1.00 . A X . 15 LYS HE2 1 1 6 2412 1 1 15 LYS HE3 H -5.285 -6.076 1.940 1.00 . A X . 15 LYS HE3 1 1 6 2413 1 1 15 LYS HG2 H -4.176 -4.888 -0.498 1.00 . A X . 15 LYS HG2 1 1 6 2414 1 1 15 LYS HG3 H -2.794 -3.963 0.088 1.00 . A X . 15 LYS HG3 1 1 6 2415 1 1 15 LYS HZ1 H -5.658 -7.928 0.390 1.00 . A X . 15 LYS HZ1 1 1 6 2416 1 1 15 LYS HZ2 H -4.114 -7.686 -0.268 1.00 . A X . 15 LYS HZ2 1 1 6 2417 1 1 15 LYS HZ3 H -5.299 -6.482 -0.417 1.00 . A X . 15 LYS HZ3 1 1 6 2418 1 1 15 LYS N N -4.154 -1.616 -0.416 1.00 . A X . 15 LYS N 1 1 6 2419 1 1 15 LYS NZ N -4.914 -7.220 0.214 1.00 . A X . 15 LYS NZ 1 1 6 2420 1 1 15 LYS O O -7.393 -1.843 0.938 1.00 . A X . 15 LYS O 1 1 6 2421 1 1 16 ALA C C -6.837 1.579 1.709 1.00 . A X . 16 ALA C 1 1 6 2422 1 1 16 ALA CA C -6.515 0.281 2.443 1.00 . A X . 16 ALA CA 1 1 6 2423 1 1 16 ALA CB C -5.849 0.570 3.781 1.00 . A X . 16 ALA CB 1 1 6 2424 1 1 16 ALA H H -4.708 -0.419 1.594 1.00 . A X . 16 ALA H 1 1 6 2425 1 1 16 ALA HA H -7.441 -0.245 2.633 1.00 . A X . 16 ALA HA 1 1 6 2426 1 1 16 ALA HB1 H -5.649 -0.361 4.290 1.00 . A X . 16 ALA HB1 1 1 6 2427 1 1 16 ALA HB2 H -6.504 1.179 4.388 1.00 . A X . 16 ALA HB2 1 1 6 2428 1 1 16 ALA HB3 H -4.921 1.097 3.615 1.00 . A X . 16 ALA HB3 1 1 6 2429 1 1 16 ALA N N -5.675 -0.586 1.633 1.00 . A X . 16 ALA N 1 1 6 2430 1 1 16 ALA O O -7.698 2.343 2.135 1.00 . A X . 16 ALA O 1 1 6 2431 1 1 17 LEU C C -7.605 2.817 -1.074 1.00 . A X . 17 LEU C 1 1 6 2432 1 1 17 LEU CA C -6.391 3.021 -0.189 1.00 . A X . 17 LEU CA 1 1 6 2433 1 1 17 LEU CB C -5.165 3.355 -1.045 1.00 . A X . 17 LEU CB 1 1 6 2434 1 1 17 LEU CD1 C -5.451 5.850 -1.075 1.00 . A X . 17 LEU CD1 1 1 6 2435 1 1 17 LEU CD2 C -4.083 4.729 -2.837 1.00 . A X . 17 LEU CD2 1 1 6 2436 1 1 17 LEU CG C -5.291 4.601 -1.926 1.00 . A X . 17 LEU CG 1 1 6 2437 1 1 17 LEU H H -5.506 1.161 0.278 1.00 . A X . 17 LEU H 1 1 6 2438 1 1 17 LEU HA H -6.583 3.834 0.494 1.00 . A X . 17 LEU HA 1 1 6 2439 1 1 17 LEU HB2 H -4.320 3.491 -0.388 1.00 . A X . 17 LEU HB2 1 1 6 2440 1 1 17 LEU HB3 H -4.966 2.510 -1.688 1.00 . A X . 17 LEU HB3 1 1 6 2441 1 1 17 LEU HD11 H -6.325 5.748 -0.448 1.00 . A X . 17 LEU HD11 1 1 6 2442 1 1 17 LEU HD12 H -5.571 6.709 -1.719 1.00 . A X . 17 LEU HD12 1 1 6 2443 1 1 17 LEU HD13 H -4.577 5.981 -0.456 1.00 . A X . 17 LEU HD13 1 1 6 2444 1 1 17 LEU HD21 H -4.193 5.604 -3.461 1.00 . A X . 17 LEU HD21 1 1 6 2445 1 1 17 LEU HD22 H -4.008 3.850 -3.460 1.00 . A X . 17 LEU HD22 1 1 6 2446 1 1 17 LEU HD23 H -3.189 4.824 -2.238 1.00 . A X . 17 LEU HD23 1 1 6 2447 1 1 17 LEU HG H -6.169 4.505 -2.547 1.00 . A X . 17 LEU HG 1 1 6 2448 1 1 17 LEU N N -6.159 1.817 0.594 1.00 . A X . 17 LEU N 1 1 6 2449 1 1 17 LEU O O -8.374 3.742 -1.325 1.00 . A X . 17 LEU O 1 1 6 2450 1 1 18 ALA C C -10.012 0.579 -1.633 1.00 . A X . 18 ALA C 1 1 6 2451 1 1 18 ALA CA C -8.888 1.264 -2.402 1.00 . A X . 18 ALA CA 1 1 6 2452 1 1 18 ALA CB C -8.421 0.389 -3.556 1.00 . A X . 18 ALA CB 1 1 6 2453 1 1 18 ALA H H -7.120 0.894 -1.312 1.00 . A X . 18 ALA H 1 1 6 2454 1 1 18 ALA HA H -9.258 2.185 -2.811 1.00 . A X . 18 ALA HA 1 1 6 2455 1 1 18 ALA HB1 H -9.242 0.220 -4.235 1.00 . A X . 18 ALA HB1 1 1 6 2456 1 1 18 ALA HB2 H -8.072 -0.558 -3.170 1.00 . A X . 18 ALA HB2 1 1 6 2457 1 1 18 ALA HB3 H -7.615 0.883 -4.078 1.00 . A X . 18 ALA HB3 1 1 6 2458 1 1 18 ALA N N -7.774 1.591 -1.540 1.00 . A X . 18 ALA N 1 1 6 2459 1 1 18 ALA O O -11.156 1.034 -1.651 1.00 . A X . 18 ALA O 1 1 6 2460 1 1 19 LEU C C -11.311 -0.744 0.923 1.00 . A X . 19 LEU C 1 1 6 2461 1 1 19 LEU CA C -10.692 -1.354 -0.335 1.00 . A X . 19 LEU CA 1 1 6 2462 1 1 19 LEU CB C -10.087 -2.723 -0.024 1.00 . A X . 19 LEU CB 1 1 6 2463 1 1 19 LEU CD1 C -12.001 -4.081 -0.904 1.00 . A X . 19 LEU CD1 1 1 6 2464 1 1 19 LEU CD2 C -10.368 -5.106 0.682 1.00 . A X . 19 LEU CD2 1 1 6 2465 1 1 19 LEU CG C -11.093 -3.830 0.291 1.00 . A X . 19 LEU CG 1 1 6 2466 1 1 19 LEU H H -8.728 -0.678 -0.753 1.00 . A X . 19 LEU H 1 1 6 2467 1 1 19 LEU HA H -11.470 -1.480 -1.073 1.00 . A X . 19 LEU HA 1 1 6 2468 1 1 19 LEU HB2 H -9.497 -3.033 -0.876 1.00 . A X . 19 LEU HB2 1 1 6 2469 1 1 19 LEU HB3 H -9.429 -2.615 0.824 1.00 . A X . 19 LEU HB3 1 1 6 2470 1 1 19 LEU HD11 H -11.404 -4.375 -1.754 1.00 . A X . 19 LEU HD11 1 1 6 2471 1 1 19 LEU HD12 H -12.544 -3.178 -1.139 1.00 . A X . 19 LEU HD12 1 1 6 2472 1 1 19 LEU HD13 H -12.700 -4.869 -0.666 1.00 . A X . 19 LEU HD13 1 1 6 2473 1 1 19 LEU HD21 H -9.747 -5.433 -0.139 1.00 . A X . 19 LEU HD21 1 1 6 2474 1 1 19 LEU HD22 H -11.091 -5.874 0.915 1.00 . A X . 19 LEU HD22 1 1 6 2475 1 1 19 LEU HD23 H -9.751 -4.919 1.549 1.00 . A X . 19 LEU HD23 1 1 6 2476 1 1 19 LEU HG H -11.711 -3.523 1.123 1.00 . A X . 19 LEU HG 1 1 6 2477 1 1 19 LEU N N -9.677 -0.482 -0.912 1.00 . A X . 19 LEU N 1 1 6 2478 1 1 19 LEU O O -12.373 -1.170 1.362 1.00 . A X . 19 LEU O 1 1 6 2479 1 1 20 LYS C C -11.739 2.293 2.354 1.00 . A X . 20 LYS C 1 1 6 2480 1 1 20 LYS CA C -11.183 0.916 2.684 1.00 . A X . 20 LYS CA 1 1 6 2481 1 1 20 LYS CB C -10.113 1.038 3.768 1.00 . A X . 20 LYS CB 1 1 6 2482 1 1 20 LYS CD C -11.032 -0.803 5.210 1.00 . A X . 20 LYS CD 1 1 6 2483 1 1 20 LYS CE C -10.685 -1.979 6.106 1.00 . A X . 20 LYS CE 1 1 6 2484 1 1 20 LYS CG C -9.808 -0.271 4.474 1.00 . A X . 20 LYS CG 1 1 6 2485 1 1 20 LYS H H -9.798 0.548 1.120 1.00 . A X . 20 LYS H 1 1 6 2486 1 1 20 LYS HA H -11.991 0.306 3.059 1.00 . A X . 20 LYS HA 1 1 6 2487 1 1 20 LYS HB2 H -9.200 1.399 3.316 1.00 . A X . 20 LYS HB2 1 1 6 2488 1 1 20 LYS HB3 H -10.445 1.752 4.507 1.00 . A X . 20 LYS HB3 1 1 6 2489 1 1 20 LYS HD2 H -11.446 -0.014 5.817 1.00 . A X . 20 LYS HD2 1 1 6 2490 1 1 20 LYS HD3 H -11.764 -1.120 4.483 1.00 . A X . 20 LYS HD3 1 1 6 2491 1 1 20 LYS HE2 H -9.963 -1.654 6.839 1.00 . A X . 20 LYS HE2 1 1 6 2492 1 1 20 LYS HE3 H -11.584 -2.307 6.609 1.00 . A X . 20 LYS HE3 1 1 6 2493 1 1 20 LYS HG2 H -9.496 -0.999 3.741 1.00 . A X . 20 LYS HG2 1 1 6 2494 1 1 20 LYS HG3 H -9.011 -0.109 5.185 1.00 . A X . 20 LYS HG3 1 1 6 2495 1 1 20 LYS HZ1 H -9.214 -2.847 4.899 1.00 . A X . 20 LYS HZ1 1 1 6 2496 1 1 20 LYS HZ2 H -10.780 -3.424 4.598 1.00 . A X . 20 LYS HZ2 1 1 6 2497 1 1 20 LYS HZ3 H -9.945 -3.926 5.985 1.00 . A X . 20 LYS HZ3 1 1 6 2498 1 1 20 LYS N N -10.653 0.254 1.496 1.00 . A X . 20 LYS N 1 1 6 2499 1 1 20 LYS NZ N -10.115 -3.121 5.345 1.00 . A X . 20 LYS NZ 1 1 6 2500 1 1 20 LYS O O -12.232 2.997 3.235 1.00 . A X . 20 LYS O 1 1 6 2501 1 1 21 LEU C C -13.416 3.739 -0.228 1.00 . A X . 21 LEU C 1 1 6 2502 1 1 21 LEU CA C -12.188 3.954 0.646 1.00 . A X . 21 LEU CA 1 1 6 2503 1 1 21 LEU CB C -11.126 4.741 -0.125 1.00 . A X . 21 LEU CB 1 1 6 2504 1 1 21 LEU CD1 C -11.847 7.036 0.606 1.00 . A X . 21 LEU CD1 1 1 6 2505 1 1 21 LEU CD2 C -10.487 6.758 -1.473 1.00 . A X . 21 LEU CD2 1 1 6 2506 1 1 21 LEU CG C -11.555 6.137 -0.586 1.00 . A X . 21 LEU CG 1 1 6 2507 1 1 21 LEU H H -11.228 2.081 0.438 1.00 . A X . 21 LEU H 1 1 6 2508 1 1 21 LEU HA H -12.478 4.516 1.521 1.00 . A X . 21 LEU HA 1 1 6 2509 1 1 21 LEU HB2 H -10.258 4.846 0.509 1.00 . A X . 21 LEU HB2 1 1 6 2510 1 1 21 LEU HB3 H -10.847 4.169 -0.996 1.00 . A X . 21 LEU HB3 1 1 6 2511 1 1 21 LEU HD11 H -10.962 7.119 1.221 1.00 . A X . 21 LEU HD11 1 1 6 2512 1 1 21 LEU HD12 H -12.651 6.612 1.188 1.00 . A X . 21 LEU HD12 1 1 6 2513 1 1 21 LEU HD13 H -12.134 8.017 0.255 1.00 . A X . 21 LEU HD13 1 1 6 2514 1 1 21 LEU HD21 H -10.339 6.137 -2.345 1.00 . A X . 21 LEU HD21 1 1 6 2515 1 1 21 LEU HD22 H -9.561 6.833 -0.922 1.00 . A X . 21 LEU HD22 1 1 6 2516 1 1 21 LEU HD23 H -10.804 7.743 -1.781 1.00 . A X . 21 LEU HD23 1 1 6 2517 1 1 21 LEU HG H -12.462 6.052 -1.166 1.00 . A X . 21 LEU HG 1 1 6 2518 1 1 21 LEU N N -11.657 2.674 1.088 1.00 . A X . 21 LEU N 1 1 6 2519 1 1 21 LEU O O -14.422 4.435 -0.089 1.00 . A X . 21 LEU O 1 1 6 2520 1 1 22 LYS C C -15.438 1.538 -1.318 1.00 . A X . 22 LYS C 1 1 6 2521 1 1 22 LYS CA C -14.425 2.443 -2.015 1.00 . A X . 22 LYS CA 1 1 6 2522 1 1 22 LYS CB C -13.882 1.775 -3.283 1.00 . A X . 22 LYS CB 1 1 6 2523 1 1 22 LYS CD C -15.740 2.613 -4.756 1.00 . A X . 22 LYS CD 1 1 6 2524 1 1 22 LYS CE C -16.763 2.236 -5.812 1.00 . A X . 22 LYS CE 1 1 6 2525 1 1 22 LYS CG C -14.948 1.401 -4.298 1.00 . A X . 22 LYS CG 1 1 6 2526 1 1 22 LYS H H -12.495 2.248 -1.184 1.00 . A X . 22 LYS H 1 1 6 2527 1 1 22 LYS HA H -14.912 3.368 -2.288 1.00 . A X . 22 LYS HA 1 1 6 2528 1 1 22 LYS HB2 H -13.187 2.450 -3.759 1.00 . A X . 22 LYS HB2 1 1 6 2529 1 1 22 LYS HB3 H -13.356 0.875 -3.003 1.00 . A X . 22 LYS HB3 1 1 6 2530 1 1 22 LYS HD2 H -16.253 3.039 -3.905 1.00 . A X . 22 LYS HD2 1 1 6 2531 1 1 22 LYS HD3 H -15.058 3.341 -5.169 1.00 . A X . 22 LYS HD3 1 1 6 2532 1 1 22 LYS HE2 H -17.357 1.414 -5.442 1.00 . A X . 22 LYS HE2 1 1 6 2533 1 1 22 LYS HE3 H -17.400 3.087 -5.997 1.00 . A X . 22 LYS HE3 1 1 6 2534 1 1 22 LYS HG2 H -14.471 0.951 -5.157 1.00 . A X . 22 LYS HG2 1 1 6 2535 1 1 22 LYS HG3 H -15.624 0.690 -3.848 1.00 . A X . 22 LYS HG3 1 1 6 2536 1 1 22 LYS HZ1 H -15.749 2.670 -7.583 1.00 . A X . 22 LYS HZ1 1 1 6 2537 1 1 22 LYS HZ2 H -16.809 1.350 -7.706 1.00 . A X . 22 LYS HZ2 1 1 6 2538 1 1 22 LYS HZ3 H -15.327 1.179 -6.900 1.00 . A X . 22 LYS HZ3 1 1 6 2539 1 1 22 LYS N N -13.327 2.765 -1.120 1.00 . A X . 22 LYS N 1 1 6 2540 1 1 22 LYS NZ N -16.118 1.829 -7.087 1.00 . A X . 22 LYS NZ 1 1 6 2541 1 1 22 LYS O O -16.631 1.573 -1.622 1.00 . A X . 22 LYS O 1 1 6 2542 1 1 23 LYS C C -16.073 0.329 1.774 1.00 . A X . 23 LYS C 1 1 6 2543 1 1 23 LYS CA C -15.838 -0.165 0.357 1.00 . A X . 23 LYS CA 1 1 6 2544 1 1 23 LYS CB C -15.258 -1.579 0.393 1.00 . A X . 23 LYS CB 1 1 6 2545 1 1 23 LYS CD C -16.711 -2.322 -1.513 1.00 . A X . 23 LYS CD 1 1 6 2546 1 1 23 LYS CE C -16.874 -3.402 -2.566 1.00 . A X . 23 LYS CE 1 1 6 2547 1 1 23 LYS CG C -15.302 -2.297 -0.944 1.00 . A X . 23 LYS CG 1 1 6 2548 1 1 23 LYS H H -14.016 0.775 -0.137 1.00 . A X . 23 LYS H 1 1 6 2549 1 1 23 LYS HA H -16.783 -0.189 -0.161 1.00 . A X . 23 LYS HA 1 1 6 2550 1 1 23 LYS HB2 H -14.229 -1.525 0.713 1.00 . A X . 23 LYS HB2 1 1 6 2551 1 1 23 LYS HB3 H -15.815 -2.166 1.108 1.00 . A X . 23 LYS HB3 1 1 6 2552 1 1 23 LYS HD2 H -17.408 -2.508 -0.710 1.00 . A X . 23 LYS HD2 1 1 6 2553 1 1 23 LYS HD3 H -16.923 -1.362 -1.959 1.00 . A X . 23 LYS HD3 1 1 6 2554 1 1 23 LYS HE2 H -17.847 -3.300 -3.023 1.00 . A X . 23 LYS HE2 1 1 6 2555 1 1 23 LYS HE3 H -16.109 -3.272 -3.318 1.00 . A X . 23 LYS HE3 1 1 6 2556 1 1 23 LYS HG2 H -14.655 -1.782 -1.638 1.00 . A X . 23 LYS HG2 1 1 6 2557 1 1 23 LYS HG3 H -14.957 -3.312 -0.811 1.00 . A X . 23 LYS HG3 1 1 6 2558 1 1 23 LYS HZ1 H -17.325 -4.837 -1.115 1.00 . A X . 23 LYS HZ1 1 1 6 2559 1 1 23 LYS HZ2 H -15.759 -4.979 -1.751 1.00 . A X . 23 LYS HZ2 1 1 6 2560 1 1 23 LYS HZ3 H -17.098 -5.478 -2.667 1.00 . A X . 23 LYS HZ3 1 1 6 2561 1 1 23 LYS N N -14.966 0.741 -0.369 1.00 . A X . 23 LYS N 1 1 6 2562 1 1 23 LYS NZ N -16.754 -4.766 -1.983 1.00 . A X . 23 LYS NZ 1 1 6 2563 1 1 23 LYS O O -15.151 0.804 2.439 1.00 . A X . 23 LYS O 1 1 6 2564 1 1 24 ALA C C -18.543 -0.490 4.195 1.00 . A X . 24 ALA C 1 1 6 2565 1 1 24 ALA CA C -17.678 0.599 3.572 1.00 . A X . 24 ALA CA 1 1 6 2566 1 1 24 ALA CB C -18.404 1.938 3.582 1.00 . A X . 24 ALA CB 1 1 6 2567 1 1 24 ALA H H -18.012 -0.104 1.610 1.00 . A X . 24 ALA H 1 1 6 2568 1 1 24 ALA HA H -16.769 0.700 4.147 1.00 . A X . 24 ALA HA 1 1 6 2569 1 1 24 ALA HB1 H -17.779 2.688 3.122 1.00 . A X . 24 ALA HB1 1 1 6 2570 1 1 24 ALA HB2 H -18.615 2.224 4.602 1.00 . A X . 24 ALA HB2 1 1 6 2571 1 1 24 ALA HB3 H -19.331 1.852 3.032 1.00 . A X . 24 ALA HB3 1 1 6 2572 1 1 24 ALA N N -17.314 0.231 2.216 1.00 . A X . 24 ALA N 1 1 6 2573 1 1 24 ALA O O -19.787 -0.337 4.210 1.00 . A X . 24 ALA O 1 1 6 2574 1 1 24 ALA OXT O -17.980 -1.513 4.639 1.00 . A X . 24 ALA OXT 1 1 7 2575 1 1 1 LYS C C 14.089 0.104 -4.990 1.00 . A X . 1 LYS C 1 1 7 2576 1 1 1 LYS CA C 15.515 0.178 -4.453 1.00 . A X . 1 LYS CA 1 1 7 2577 1 1 1 LYS CB C 15.555 1.022 -3.168 1.00 . A X . 1 LYS CB 1 1 7 2578 1 1 1 LYS CD C 16.330 3.315 -3.902 1.00 . A X . 1 LYS CD 1 1 7 2579 1 1 1 LYS CE C 15.959 4.784 -4.032 1.00 . A X . 1 LYS CE 1 1 7 2580 1 1 1 LYS CG C 15.180 2.491 -3.344 1.00 . A X . 1 LYS CG 1 1 7 2581 1 1 1 LYS H1 H 16.128 1.652 -5.798 1.00 . A X . 1 LYS H1 1 1 7 2582 1 1 1 LYS H2 H 16.461 0.071 -6.310 1.00 . A X . 1 LYS H2 1 1 7 2583 1 1 1 LYS H3 H 17.407 0.785 -5.096 1.00 . A X . 1 LYS H3 1 1 7 2584 1 1 1 LYS HA H 15.836 -0.826 -4.217 1.00 . A X . 1 LYS HA 1 1 7 2585 1 1 1 LYS HB2 H 14.874 0.589 -2.452 1.00 . A X . 1 LYS HB2 1 1 7 2586 1 1 1 LYS HB3 H 16.557 0.978 -2.763 1.00 . A X . 1 LYS HB3 1 1 7 2587 1 1 1 LYS HD2 H 17.177 3.229 -3.239 1.00 . A X . 1 LYS HD2 1 1 7 2588 1 1 1 LYS HD3 H 16.595 2.932 -4.877 1.00 . A X . 1 LYS HD3 1 1 7 2589 1 1 1 LYS HE2 H 15.738 5.175 -3.050 1.00 . A X . 1 LYS HE2 1 1 7 2590 1 1 1 LYS HE3 H 16.799 5.319 -4.450 1.00 . A X . 1 LYS HE3 1 1 7 2591 1 1 1 LYS HG2 H 14.342 2.560 -4.019 1.00 . A X . 1 LYS HG2 1 1 7 2592 1 1 1 LYS HG3 H 14.899 2.893 -2.383 1.00 . A X . 1 LYS HG3 1 1 7 2593 1 1 1 LYS HZ1 H 14.655 5.999 -5.121 1.00 . A X . 1 LYS HZ1 1 1 7 2594 1 1 1 LYS HZ2 H 13.913 4.643 -4.431 1.00 . A X . 1 LYS HZ2 1 1 7 2595 1 1 1 LYS HZ3 H 14.894 4.462 -5.802 1.00 . A X . 1 LYS HZ3 1 1 7 2596 1 1 1 LYS N N 16.440 0.710 -5.483 1.00 . A X . 1 LYS N 1 1 7 2597 1 1 1 LYS NZ N 14.775 4.985 -4.907 1.00 . A X . 1 LYS NZ 1 1 7 2598 1 1 1 LYS O O 13.123 0.031 -4.223 1.00 . A X . 1 LYS O 1 1 7 2599 1 1 2 LYS C C 12.206 -1.412 -7.085 1.00 . A X . 2 LYS C 1 1 7 2600 1 1 2 LYS CA C 12.656 0.040 -6.949 1.00 . A X . 2 LYS CA 1 1 7 2601 1 1 2 LYS CB C 12.721 0.728 -8.320 1.00 . A X . 2 LYS CB 1 1 7 2602 1 1 2 LYS CD C 10.470 1.842 -8.081 1.00 . A X . 2 LYS CD 1 1 7 2603 1 1 2 LYS CE C 9.214 2.297 -8.811 1.00 . A X . 2 LYS CE 1 1 7 2604 1 1 2 LYS CG C 11.362 0.978 -8.964 1.00 . A X . 2 LYS CG 1 1 7 2605 1 1 2 LYS H H 14.767 0.080 -6.873 1.00 . A X . 2 LYS H 1 1 7 2606 1 1 2 LYS HA H 11.956 0.568 -6.319 1.00 . A X . 2 LYS HA 1 1 7 2607 1 1 2 LYS HB2 H 13.218 1.679 -8.207 1.00 . A X . 2 LYS HB2 1 1 7 2608 1 1 2 LYS HB3 H 13.299 0.109 -8.989 1.00 . A X . 2 LYS HB3 1 1 7 2609 1 1 2 LYS HD2 H 10.180 1.271 -7.212 1.00 . A X . 2 LYS HD2 1 1 7 2610 1 1 2 LYS HD3 H 11.028 2.713 -7.769 1.00 . A X . 2 LYS HD3 1 1 7 2611 1 1 2 LYS HE2 H 8.587 2.837 -8.117 1.00 . A X . 2 LYS HE2 1 1 7 2612 1 1 2 LYS HE3 H 9.505 2.953 -9.618 1.00 . A X . 2 LYS HE3 1 1 7 2613 1 1 2 LYS HG2 H 11.509 1.480 -9.908 1.00 . A X . 2 LYS HG2 1 1 7 2614 1 1 2 LYS HG3 H 10.874 0.029 -9.133 1.00 . A X . 2 LYS HG3 1 1 7 2615 1 1 2 LYS HZ1 H 8.342 0.401 -8.658 1.00 . A X . 2 LYS HZ1 1 1 7 2616 1 1 2 LYS HZ2 H 8.923 0.770 -10.211 1.00 . A X . 2 LYS HZ2 1 1 7 2617 1 1 2 LYS HZ3 H 7.485 1.475 -9.652 1.00 . A X . 2 LYS HZ3 1 1 7 2618 1 1 2 LYS N N 13.962 0.085 -6.309 1.00 . A X . 2 LYS N 1 1 7 2619 1 1 2 LYS NZ N 8.439 1.157 -9.370 1.00 . A X . 2 LYS NZ 1 1 7 2620 1 1 2 LYS O O 12.114 -1.949 -8.188 1.00 . A X . 2 LYS O 1 1 7 2621 1 1 3 LEU C C 11.004 -3.794 -4.522 1.00 . A X . 3 LEU C 1 1 7 2622 1 1 3 LEU CA C 11.522 -3.434 -5.909 1.00 . A X . 3 LEU CA 1 1 7 2623 1 1 3 LEU CB C 12.661 -4.383 -6.299 1.00 . A X . 3 LEU CB 1 1 7 2624 1 1 3 LEU CD1 C 11.238 -6.131 -7.417 1.00 . A X . 3 LEU CD1 1 1 7 2625 1 1 3 LEU CD2 C 13.527 -6.715 -6.598 1.00 . A X . 3 LEU CD2 1 1 7 2626 1 1 3 LEU CG C 12.289 -5.868 -6.346 1.00 . A X . 3 LEU CG 1 1 7 2627 1 1 3 LEU H H 12.101 -1.566 -5.098 1.00 . A X . 3 LEU H 1 1 7 2628 1 1 3 LEU HA H 10.717 -3.541 -6.620 1.00 . A X . 3 LEU HA 1 1 7 2629 1 1 3 LEU HB2 H 13.022 -4.092 -7.275 1.00 . A X . 3 LEU HB2 1 1 7 2630 1 1 3 LEU HB3 H 13.463 -4.260 -5.586 1.00 . A X . 3 LEU HB3 1 1 7 2631 1 1 3 LEU HD11 H 10.979 -7.178 -7.419 1.00 . A X . 3 LEU HD11 1 1 7 2632 1 1 3 LEU HD12 H 11.634 -5.856 -8.384 1.00 . A X . 3 LEU HD12 1 1 7 2633 1 1 3 LEU HD13 H 10.356 -5.544 -7.210 1.00 . A X . 3 LEU HD13 1 1 7 2634 1 1 3 LEU HD21 H 14.236 -6.565 -5.798 1.00 . A X . 3 LEU HD21 1 1 7 2635 1 1 3 LEU HD22 H 13.977 -6.425 -7.535 1.00 . A X . 3 LEU HD22 1 1 7 2636 1 1 3 LEU HD23 H 13.246 -7.758 -6.641 1.00 . A X . 3 LEU HD23 1 1 7 2637 1 1 3 LEU HG H 11.873 -6.159 -5.392 1.00 . A X . 3 LEU HG 1 1 7 2638 1 1 3 LEU N N 11.969 -2.047 -5.945 1.00 . A X . 3 LEU N 1 1 7 2639 1 1 3 LEU O O 9.811 -3.997 -4.336 1.00 . A X . 3 LEU O 1 1 7 2640 1 1 4 LYS C C 11.003 -3.056 -1.417 1.00 . A X . 4 LYS C 1 1 7 2641 1 1 4 LYS CA C 11.544 -4.244 -2.198 1.00 . A X . 4 LYS CA 1 1 7 2642 1 1 4 LYS CB C 12.758 -4.819 -1.474 1.00 . A X . 4 LYS CB 1 1 7 2643 1 1 4 LYS CD C 14.664 -6.450 -1.483 1.00 . A X . 4 LYS CD 1 1 7 2644 1 1 4 LYS CE C 15.348 -7.578 -2.236 1.00 . A X . 4 LYS CE 1 1 7 2645 1 1 4 LYS CG C 13.400 -5.996 -2.190 1.00 . A X . 4 LYS CG 1 1 7 2646 1 1 4 LYS H H 12.838 -3.615 -3.746 1.00 . A X . 4 LYS H 1 1 7 2647 1 1 4 LYS HA H 10.778 -5.003 -2.263 1.00 . A X . 4 LYS HA 1 1 7 2648 1 1 4 LYS HB2 H 13.499 -4.041 -1.374 1.00 . A X . 4 LYS HB2 1 1 7 2649 1 1 4 LYS HB3 H 12.455 -5.143 -0.490 1.00 . A X . 4 LYS HB3 1 1 7 2650 1 1 4 LYS HD2 H 15.344 -5.614 -1.409 1.00 . A X . 4 LYS HD2 1 1 7 2651 1 1 4 LYS HD3 H 14.409 -6.795 -0.491 1.00 . A X . 4 LYS HD3 1 1 7 2652 1 1 4 LYS HE2 H 14.697 -8.439 -2.244 1.00 . A X . 4 LYS HE2 1 1 7 2653 1 1 4 LYS HE3 H 15.534 -7.255 -3.251 1.00 . A X . 4 LYS HE3 1 1 7 2654 1 1 4 LYS HG2 H 12.698 -6.816 -2.216 1.00 . A X . 4 LYS HG2 1 1 7 2655 1 1 4 LYS HG3 H 13.649 -5.699 -3.195 1.00 . A X . 4 LYS HG3 1 1 7 2656 1 1 4 LYS HZ1 H 16.481 -8.211 -0.602 1.00 . A X . 4 LYS HZ1 1 1 7 2657 1 1 4 LYS HZ2 H 17.296 -7.140 -1.639 1.00 . A X . 4 LYS HZ2 1 1 7 2658 1 1 4 LYS HZ3 H 17.065 -8.755 -2.099 1.00 . A X . 4 LYS HZ3 1 1 7 2659 1 1 4 LYS N N 11.906 -3.847 -3.550 1.00 . A X . 4 LYS N 1 1 7 2660 1 1 4 LYS NZ N 16.635 -7.947 -1.602 1.00 . A X . 4 LYS NZ 1 1 7 2661 1 1 4 LYS O O 9.909 -3.110 -0.860 1.00 . A X . 4 LYS O 1 1 7 2662 1 1 5 LEU C C 10.101 -0.204 -1.230 1.00 . A X . 5 LEU C 1 1 7 2663 1 1 5 LEU CA C 11.391 -0.777 -0.656 1.00 . A X . 5 LEU CA 1 1 7 2664 1 1 5 LEU CB C 12.511 0.268 -0.720 1.00 . A X . 5 LEU CB 1 1 7 2665 1 1 5 LEU CD1 C 12.302 1.142 1.617 1.00 . A X . 5 LEU CD1 1 1 7 2666 1 1 5 LEU CD2 C 13.344 2.560 -0.152 1.00 . A X . 5 LEU CD2 1 1 7 2667 1 1 5 LEU CG C 12.289 1.509 0.143 1.00 . A X . 5 LEU CG 1 1 7 2668 1 1 5 LEU H H 12.643 -2.002 -1.854 1.00 . A X . 5 LEU H 1 1 7 2669 1 1 5 LEU HA H 11.221 -1.051 0.373 1.00 . A X . 5 LEU HA 1 1 7 2670 1 1 5 LEU HB2 H 13.431 -0.204 -0.404 1.00 . A X . 5 LEU HB2 1 1 7 2671 1 1 5 LEU HB3 H 12.619 0.583 -1.745 1.00 . A X . 5 LEU HB3 1 1 7 2672 1 1 5 LEU HD11 H 11.513 0.431 1.815 1.00 . A X . 5 LEU HD11 1 1 7 2673 1 1 5 LEU HD12 H 12.145 2.030 2.211 1.00 . A X . 5 LEU HD12 1 1 7 2674 1 1 5 LEU HD13 H 13.256 0.701 1.870 1.00 . A X . 5 LEU HD13 1 1 7 2675 1 1 5 LEU HD21 H 13.158 3.435 0.451 1.00 . A X . 5 LEU HD21 1 1 7 2676 1 1 5 LEU HD22 H 13.300 2.828 -1.198 1.00 . A X . 5 LEU HD22 1 1 7 2677 1 1 5 LEU HD23 H 14.321 2.164 0.078 1.00 . A X . 5 LEU HD23 1 1 7 2678 1 1 5 LEU HG H 11.323 1.932 -0.086 1.00 . A X . 5 LEU HG 1 1 7 2679 1 1 5 LEU N N 11.779 -1.981 -1.383 1.00 . A X . 5 LEU N 1 1 7 2680 1 1 5 LEU O O 9.202 0.208 -0.493 1.00 . A X . 5 LEU O 1 1 7 2681 1 1 6 ALA C C 7.650 -0.683 -3.149 1.00 . A X . 6 ALA C 1 1 7 2682 1 1 6 ALA CA C 8.830 0.284 -3.249 1.00 . A X . 6 ALA CA 1 1 7 2683 1 1 6 ALA CB C 9.171 0.548 -4.704 1.00 . A X . 6 ALA CB 1 1 7 2684 1 1 6 ALA H H 10.744 -0.600 -3.073 1.00 . A X . 6 ALA H 1 1 7 2685 1 1 6 ALA HA H 8.553 1.222 -2.791 1.00 . A X . 6 ALA HA 1 1 7 2686 1 1 6 ALA HB1 H 10.004 1.231 -4.759 1.00 . A X . 6 ALA HB1 1 1 7 2687 1 1 6 ALA HB2 H 8.315 0.981 -5.204 1.00 . A X . 6 ALA HB2 1 1 7 2688 1 1 6 ALA HB3 H 9.436 -0.383 -5.186 1.00 . A X . 6 ALA HB3 1 1 7 2689 1 1 6 ALA N N 10.002 -0.230 -2.550 1.00 . A X . 6 ALA N 1 1 7 2690 1 1 6 ALA O O 6.620 -0.487 -3.794 1.00 . A X . 6 ALA O 1 1 7 2691 1 1 7 LEU C C 6.542 -2.911 -0.633 1.00 . A X . 7 LEU C 1 1 7 2692 1 1 7 LEU CA C 6.745 -2.696 -2.131 1.00 . A X . 7 LEU CA 1 1 7 2693 1 1 7 LEU CB C 7.081 -4.016 -2.828 1.00 . A X . 7 LEU CB 1 1 7 2694 1 1 7 LEU CD1 C 4.738 -4.499 -3.595 1.00 . A X . 7 LEU CD1 1 1 7 2695 1 1 7 LEU CD2 C 6.428 -6.334 -3.522 1.00 . A X . 7 LEU CD2 1 1 7 2696 1 1 7 LEU CG C 5.952 -5.051 -2.861 1.00 . A X . 7 LEU CG 1 1 7 2697 1 1 7 LEU H H 8.673 -1.856 -1.897 1.00 . A X . 7 LEU H 1 1 7 2698 1 1 7 LEU HA H 5.834 -2.291 -2.554 1.00 . A X . 7 LEU HA 1 1 7 2699 1 1 7 LEU HB2 H 7.364 -3.796 -3.848 1.00 . A X . 7 LEU HB2 1 1 7 2700 1 1 7 LEU HB3 H 7.929 -4.456 -2.325 1.00 . A X . 7 LEU HB3 1 1 7 2701 1 1 7 LEU HD11 H 5.019 -4.236 -4.604 1.00 . A X . 7 LEU HD11 1 1 7 2702 1 1 7 LEU HD12 H 4.375 -3.621 -3.081 1.00 . A X . 7 LEU HD12 1 1 7 2703 1 1 7 LEU HD13 H 3.961 -5.250 -3.623 1.00 . A X . 7 LEU HD13 1 1 7 2704 1 1 7 LEU HD21 H 7.269 -6.733 -2.972 1.00 . A X . 7 LEU HD21 1 1 7 2705 1 1 7 LEU HD22 H 6.726 -6.127 -4.539 1.00 . A X . 7 LEU HD22 1 1 7 2706 1 1 7 LEU HD23 H 5.624 -7.056 -3.524 1.00 . A X . 7 LEU HD23 1 1 7 2707 1 1 7 LEU HG H 5.654 -5.282 -1.847 1.00 . A X . 7 LEU HG 1 1 7 2708 1 1 7 LEU N N 7.810 -1.728 -2.350 1.00 . A X . 7 LEU N 1 1 7 2709 1 1 7 LEU O O 5.781 -3.777 -0.205 1.00 . A X . 7 LEU O 1 1 7 2710 1 1 8 ALA C C 6.609 -0.854 2.171 1.00 . A X . 8 ALA C 1 1 7 2711 1 1 8 ALA CA C 7.117 -2.174 1.608 1.00 . A X . 8 ALA CA 1 1 7 2712 1 1 8 ALA CB C 8.454 -2.542 2.232 1.00 . A X . 8 ALA CB 1 1 7 2713 1 1 8 ALA H H 7.843 -1.453 -0.239 1.00 . A X . 8 ALA H 1 1 7 2714 1 1 8 ALA HA H 6.408 -2.951 1.847 1.00 . A X . 8 ALA HA 1 1 7 2715 1 1 8 ALA HB1 H 8.802 -3.474 1.812 1.00 . A X . 8 ALA HB1 1 1 7 2716 1 1 8 ALA HB2 H 8.333 -2.651 3.301 1.00 . A X . 8 ALA HB2 1 1 7 2717 1 1 8 ALA HB3 H 9.175 -1.763 2.028 1.00 . A X . 8 ALA HB3 1 1 7 2718 1 1 8 ALA N N 7.233 -2.104 0.161 1.00 . A X . 8 ALA N 1 1 7 2719 1 1 8 ALA O O 5.874 -0.825 3.161 1.00 . A X . 8 ALA O 1 1 7 2720 1 1 9 LYS C C 5.269 1.968 1.351 1.00 . A X . 9 LYS C 1 1 7 2721 1 1 9 LYS CA C 6.596 1.564 1.972 1.00 . A X . 9 LYS CA 1 1 7 2722 1 1 9 LYS CB C 7.669 2.600 1.629 1.00 . A X . 9 LYS CB 1 1 7 2723 1 1 9 LYS CD C 8.912 2.338 3.808 1.00 . A X . 9 LYS CD 1 1 7 2724 1 1 9 LYS CE C 10.282 2.158 4.445 1.00 . A X . 9 LYS CE 1 1 7 2725 1 1 9 LYS CG C 9.012 2.338 2.290 1.00 . A X . 9 LYS CG 1 1 7 2726 1 1 9 LYS H H 7.550 0.152 0.728 1.00 . A X . 9 LYS H 1 1 7 2727 1 1 9 LYS HA H 6.477 1.525 3.044 1.00 . A X . 9 LYS HA 1 1 7 2728 1 1 9 LYS HB2 H 7.815 2.608 0.558 1.00 . A X . 9 LYS HB2 1 1 7 2729 1 1 9 LYS HB3 H 7.322 3.574 1.942 1.00 . A X . 9 LYS HB3 1 1 7 2730 1 1 9 LYS HD2 H 8.492 3.277 4.137 1.00 . A X . 9 LYS HD2 1 1 7 2731 1 1 9 LYS HD3 H 8.272 1.524 4.118 1.00 . A X . 9 LYS HD3 1 1 7 2732 1 1 9 LYS HE2 H 10.704 1.227 4.099 1.00 . A X . 9 LYS HE2 1 1 7 2733 1 1 9 LYS HE3 H 10.918 2.976 4.136 1.00 . A X . 9 LYS HE3 1 1 7 2734 1 1 9 LYS HG2 H 9.376 1.374 1.968 1.00 . A X . 9 LYS HG2 1 1 7 2735 1 1 9 LYS HG3 H 9.708 3.106 1.984 1.00 . A X . 9 LYS HG3 1 1 7 2736 1 1 9 LYS HZ1 H 9.731 2.984 6.285 1.00 . A X . 9 LYS HZ1 1 1 7 2737 1 1 9 LYS HZ2 H 11.182 2.105 6.326 1.00 . A X . 9 LYS HZ2 1 1 7 2738 1 1 9 LYS HZ3 H 9.697 1.286 6.252 1.00 . A X . 9 LYS HZ3 1 1 7 2739 1 1 9 LYS N N 6.992 0.238 1.526 1.00 . A X . 9 LYS N 1 1 7 2740 1 1 9 LYS NZ N 10.215 2.131 5.929 1.00 . A X . 9 LYS NZ 1 1 7 2741 1 1 9 LYS O O 5.222 2.442 0.218 1.00 . A X . 9 LYS O 1 1 7 2742 1 1 10 LEU C C 2.259 1.357 0.560 1.00 . A X . 10 LEU C 1 1 7 2743 1 1 10 LEU CA C 2.840 2.159 1.727 1.00 . A X . 10 LEU CA 1 1 7 2744 1 1 10 LEU CB C 2.816 3.659 1.399 1.00 . A X . 10 LEU CB 1 1 7 2745 1 1 10 LEU CD1 C 3.184 6.039 2.100 1.00 . A X . 10 LEU CD1 1 1 7 2746 1 1 10 LEU CD2 C 2.166 4.404 3.706 1.00 . A X . 10 LEU CD2 1 1 7 2747 1 1 10 LEU CG C 3.159 4.590 2.564 1.00 . A X . 10 LEU CG 1 1 7 2748 1 1 10 LEU H H 4.315 1.212 2.923 1.00 . A X . 10 LEU H 1 1 7 2749 1 1 10 LEU HA H 2.211 1.994 2.590 1.00 . A X . 10 LEU HA 1 1 7 2750 1 1 10 LEU HB2 H 3.523 3.841 0.603 1.00 . A X . 10 LEU HB2 1 1 7 2751 1 1 10 LEU HB3 H 1.829 3.913 1.044 1.00 . A X . 10 LEU HB3 1 1 7 2752 1 1 10 LEU HD11 H 3.457 6.677 2.928 1.00 . A X . 10 LEU HD11 1 1 7 2753 1 1 10 LEU HD12 H 2.207 6.320 1.738 1.00 . A X . 10 LEU HD12 1 1 7 2754 1 1 10 LEU HD13 H 3.907 6.150 1.305 1.00 . A X . 10 LEU HD13 1 1 7 2755 1 1 10 LEU HD21 H 2.405 5.088 4.508 1.00 . A X . 10 LEU HD21 1 1 7 2756 1 1 10 LEU HD22 H 2.225 3.387 4.072 1.00 . A X . 10 LEU HD22 1 1 7 2757 1 1 10 LEU HD23 H 1.165 4.600 3.351 1.00 . A X . 10 LEU HD23 1 1 7 2758 1 1 10 LEU HG H 4.143 4.342 2.933 1.00 . A X . 10 LEU HG 1 1 7 2759 1 1 10 LEU N N 4.194 1.719 2.094 1.00 . A X . 10 LEU N 1 1 7 2760 1 1 10 LEU O O 1.054 1.393 0.322 1.00 . A X . 10 LEU O 1 1 7 2761 1 1 11 ALA C C 1.609 -1.228 -0.849 1.00 . A X . 11 ALA C 1 1 7 2762 1 1 11 ALA CA C 2.664 -0.194 -1.273 1.00 . A X . 11 ALA CA 1 1 7 2763 1 1 11 ALA CB C 3.847 -0.871 -1.948 1.00 . A X . 11 ALA CB 1 1 7 2764 1 1 11 ALA H H 4.064 0.674 0.059 1.00 . A X . 11 ALA H 1 1 7 2765 1 1 11 ALA HA H 2.214 0.468 -1.997 1.00 . A X . 11 ALA HA 1 1 7 2766 1 1 11 ALA HB1 H 4.272 -1.602 -1.280 1.00 . A X . 11 ALA HB1 1 1 7 2767 1 1 11 ALA HB2 H 4.593 -0.130 -2.193 1.00 . A X . 11 ALA HB2 1 1 7 2768 1 1 11 ALA HB3 H 3.517 -1.359 -2.851 1.00 . A X . 11 ALA HB3 1 1 7 2769 1 1 11 ALA N N 3.110 0.631 -0.154 1.00 . A X . 11 ALA N 1 1 7 2770 1 1 11 ALA O O 0.582 -1.358 -1.514 1.00 . A X . 11 ALA O 1 1 7 2771 1 1 12 PRO C C -0.415 -2.165 1.287 1.00 . A X . 12 PRO C 1 1 7 2772 1 1 12 PRO CA C 0.811 -2.912 0.767 1.00 . A X . 12 PRO CA 1 1 7 2773 1 1 12 PRO CB C 1.522 -3.638 1.918 1.00 . A X . 12 PRO CB 1 1 7 2774 1 1 12 PRO CD C 3.077 -2.080 1.025 1.00 . A X . 12 PRO CD 1 1 7 2775 1 1 12 PRO CG C 2.972 -3.426 1.672 1.00 . A X . 12 PRO CG 1 1 7 2776 1 1 12 PRO HA H 0.503 -3.628 0.020 1.00 . A X . 12 PRO HA 1 1 7 2777 1 1 12 PRO HB2 H 1.216 -3.210 2.860 1.00 . A X . 12 PRO HB2 1 1 7 2778 1 1 12 PRO HB3 H 1.269 -4.688 1.894 1.00 . A X . 12 PRO HB3 1 1 7 2779 1 1 12 PRO HD2 H 3.118 -1.302 1.775 1.00 . A X . 12 PRO HD2 1 1 7 2780 1 1 12 PRO HD3 H 3.944 -2.033 0.382 1.00 . A X . 12 PRO HD3 1 1 7 2781 1 1 12 PRO HG2 H 3.510 -3.438 2.609 1.00 . A X . 12 PRO HG2 1 1 7 2782 1 1 12 PRO HG3 H 3.349 -4.191 1.010 1.00 . A X . 12 PRO HG3 1 1 7 2783 1 1 12 PRO N N 1.832 -1.995 0.242 1.00 . A X . 12 PRO N 1 1 7 2784 1 1 12 PRO O O -1.524 -2.695 1.303 1.00 . A X . 12 PRO O 1 1 7 2785 1 1 13 LEU C C -2.150 0.495 1.164 1.00 . A X . 13 LEU C 1 1 7 2786 1 1 13 LEU CA C -1.281 -0.111 2.260 1.00 . A X . 13 LEU CA 1 1 7 2787 1 1 13 LEU CB C -0.715 0.993 3.164 1.00 . A X . 13 LEU CB 1 1 7 2788 1 1 13 LEU CD1 C -1.067 -0.397 5.235 1.00 . A X . 13 LEU CD1 1 1 7 2789 1 1 13 LEU CD2 C 1.242 -0.166 4.270 1.00 . A X . 13 LEU CD2 1 1 7 2790 1 1 13 LEU CG C -0.103 0.520 4.492 1.00 . A X . 13 LEU CG 1 1 7 2791 1 1 13 LEU H H 0.683 -0.526 1.595 1.00 . A X . 13 LEU H 1 1 7 2792 1 1 13 LEU HA H -1.897 -0.768 2.859 1.00 . A X . 13 LEU HA 1 1 7 2793 1 1 13 LEU HB2 H 0.048 1.522 2.613 1.00 . A X . 13 LEU HB2 1 1 7 2794 1 1 13 LEU HB3 H -1.513 1.683 3.390 1.00 . A X . 13 LEU HB3 1 1 7 2795 1 1 13 LEU HD11 H -0.620 -0.706 6.170 1.00 . A X . 13 LEU HD11 1 1 7 2796 1 1 13 LEU HD12 H -1.277 -1.268 4.632 1.00 . A X . 13 LEU HD12 1 1 7 2797 1 1 13 LEU HD13 H -1.987 0.134 5.435 1.00 . A X . 13 LEU HD13 1 1 7 2798 1 1 13 LEU HD21 H 1.120 -0.986 3.578 1.00 . A X . 13 LEU HD21 1 1 7 2799 1 1 13 LEU HD22 H 1.614 -0.541 5.212 1.00 . A X . 13 LEU HD22 1 1 7 2800 1 1 13 LEU HD23 H 1.946 0.547 3.864 1.00 . A X . 13 LEU HD23 1 1 7 2801 1 1 13 LEU HG H 0.068 1.386 5.117 1.00 . A X . 13 LEU HG 1 1 7 2802 1 1 13 LEU N N -0.212 -0.918 1.690 1.00 . A X . 13 LEU N 1 1 7 2803 1 1 13 LEU O O -3.249 0.975 1.428 1.00 . A X . 13 LEU O 1 1 7 2804 1 1 14 TRP C C -3.686 0.097 -1.359 1.00 . A X . 14 TRP C 1 1 7 2805 1 1 14 TRP CA C -2.419 0.935 -1.211 1.00 . A X . 14 TRP CA 1 1 7 2806 1 1 14 TRP CB C -1.572 0.860 -2.483 1.00 . A X . 14 TRP CB 1 1 7 2807 1 1 14 TRP CD1 C -2.853 0.505 -4.673 1.00 . A X . 14 TRP CD1 1 1 7 2808 1 1 14 TRP CD2 C -2.564 2.654 -4.115 1.00 . A X . 14 TRP CD2 1 1 7 2809 1 1 14 TRP CE2 C -3.274 2.598 -5.331 1.00 . A X . 14 TRP CE2 1 1 7 2810 1 1 14 TRP CE3 C -2.266 3.906 -3.568 1.00 . A X . 14 TRP CE3 1 1 7 2811 1 1 14 TRP CG C -2.301 1.305 -3.714 1.00 . A X . 14 TRP CG 1 1 7 2812 1 1 14 TRP CH2 C -3.389 4.955 -5.442 1.00 . A X . 14 TRP CH2 1 1 7 2813 1 1 14 TRP CZ2 C -3.696 3.745 -6.000 1.00 . A X . 14 TRP CZ2 1 1 7 2814 1 1 14 TRP CZ3 C -2.682 5.042 -4.235 1.00 . A X . 14 TRP CZ3 1 1 7 2815 1 1 14 TRP H H -0.741 0.135 -0.206 1.00 . A X . 14 TRP H 1 1 7 2816 1 1 14 TRP HA H -2.698 1.962 -1.030 1.00 . A X . 14 TRP HA 1 1 7 2817 1 1 14 TRP HB2 H -0.702 1.489 -2.364 1.00 . A X . 14 TRP HB2 1 1 7 2818 1 1 14 TRP HB3 H -1.253 -0.162 -2.634 1.00 . A X . 14 TRP HB3 1 1 7 2819 1 1 14 TRP HD1 H -2.817 -0.575 -4.657 1.00 . A X . 14 TRP HD1 1 1 7 2820 1 1 14 TRP HE1 H -3.903 0.929 -6.452 1.00 . A X . 14 TRP HE1 1 1 7 2821 1 1 14 TRP HE3 H -1.723 3.994 -2.637 1.00 . A X . 14 TRP HE3 1 1 7 2822 1 1 14 TRP HH2 H -3.696 5.869 -5.928 1.00 . A X . 14 TRP HH2 1 1 7 2823 1 1 14 TRP HZ2 H -4.240 3.695 -6.932 1.00 . A X . 14 TRP HZ2 1 1 7 2824 1 1 14 TRP HZ3 H -2.464 6.017 -3.825 1.00 . A X . 14 TRP HZ3 1 1 7 2825 1 1 14 TRP N N -1.653 0.467 -0.067 1.00 . A X . 14 TRP N 1 1 7 2826 1 1 14 TRP NE1 N -3.437 1.275 -5.650 1.00 . A X . 14 TRP NE1 1 1 7 2827 1 1 14 TRP O O -4.758 0.615 -1.680 1.00 . A X . 14 TRP O 1 1 7 2828 1 1 15 LYS C C -5.704 -1.765 -0.091 1.00 . A X . 15 LYS C 1 1 7 2829 1 1 15 LYS CA C -4.682 -2.107 -1.166 1.00 . A X . 15 LYS CA 1 1 7 2830 1 1 15 LYS CB C -4.213 -3.556 -1.013 1.00 . A X . 15 LYS CB 1 1 7 2831 1 1 15 LYS CD C -2.804 -5.431 -1.929 1.00 . A X . 15 LYS CD 1 1 7 2832 1 1 15 LYS CE C -1.608 -5.780 -2.795 1.00 . A X . 15 LYS CE 1 1 7 2833 1 1 15 LYS CG C -3.123 -3.947 -2.000 1.00 . A X . 15 LYS CG 1 1 7 2834 1 1 15 LYS H H -2.678 -1.538 -0.820 1.00 . A X . 15 LYS H 1 1 7 2835 1 1 15 LYS HA H -5.143 -1.984 -2.133 1.00 . A X . 15 LYS HA 1 1 7 2836 1 1 15 LYS HB2 H -3.831 -3.694 -0.012 1.00 . A X . 15 LYS HB2 1 1 7 2837 1 1 15 LYS HB3 H -5.057 -4.215 -1.160 1.00 . A X . 15 LYS HB3 1 1 7 2838 1 1 15 LYS HD2 H -2.583 -5.695 -0.904 1.00 . A X . 15 LYS HD2 1 1 7 2839 1 1 15 LYS HD3 H -3.660 -5.991 -2.272 1.00 . A X . 15 LYS HD3 1 1 7 2840 1 1 15 LYS HE2 H -1.764 -5.370 -3.782 1.00 . A X . 15 LYS HE2 1 1 7 2841 1 1 15 LYS HE3 H -0.723 -5.338 -2.359 1.00 . A X . 15 LYS HE3 1 1 7 2842 1 1 15 LYS HG2 H -3.454 -3.710 -3.001 1.00 . A X . 15 LYS HG2 1 1 7 2843 1 1 15 LYS HG3 H -2.229 -3.384 -1.774 1.00 . A X . 15 LYS HG3 1 1 7 2844 1 1 15 LYS HZ1 H -2.187 -7.673 -3.462 1.00 . A X . 15 LYS HZ1 1 1 7 2845 1 1 15 LYS HZ2 H -1.395 -7.685 -1.962 1.00 . A X . 15 LYS HZ2 1 1 7 2846 1 1 15 LYS HZ3 H -0.509 -7.454 -3.386 1.00 . A X . 15 LYS HZ3 1 1 7 2847 1 1 15 LYS N N -3.555 -1.194 -1.088 1.00 . A X . 15 LYS N 1 1 7 2848 1 1 15 LYS NZ N -1.410 -7.248 -2.908 1.00 . A X . 15 LYS NZ 1 1 7 2849 1 1 15 LYS O O -6.910 -1.837 -0.323 1.00 . A X . 15 LYS O 1 1 7 2850 1 1 16 ALA C C -6.717 0.378 1.924 1.00 . A X . 16 ALA C 1 1 7 2851 1 1 16 ALA CA C -6.068 -0.977 2.184 1.00 . A X . 16 ALA CA 1 1 7 2852 1 1 16 ALA CB C -5.272 -0.938 3.479 1.00 . A X . 16 ALA CB 1 1 7 2853 1 1 16 ALA H H -4.235 -1.328 1.193 1.00 . A X . 16 ALA H 1 1 7 2854 1 1 16 ALA HA H -6.841 -1.724 2.284 1.00 . A X . 16 ALA HA 1 1 7 2855 1 1 16 ALA HB1 H -5.928 -0.683 4.297 1.00 . A X . 16 ALA HB1 1 1 7 2856 1 1 16 ALA HB2 H -4.492 -0.195 3.399 1.00 . A X . 16 ALA HB2 1 1 7 2857 1 1 16 ALA HB3 H -4.829 -1.906 3.659 1.00 . A X . 16 ALA HB3 1 1 7 2858 1 1 16 ALA N N -5.209 -1.363 1.075 1.00 . A X . 16 ALA N 1 1 7 2859 1 1 16 ALA O O -7.768 0.698 2.481 1.00 . A X . 16 ALA O 1 1 7 2860 1 1 17 LEU C C -7.755 2.291 -0.254 1.00 . A X . 17 LEU C 1 1 7 2861 1 1 17 LEU CA C -6.615 2.477 0.722 1.00 . A X . 17 LEU CA 1 1 7 2862 1 1 17 LEU CB C -5.522 3.360 0.109 1.00 . A X . 17 LEU CB 1 1 7 2863 1 1 17 LEU CD1 C -6.395 5.538 0.993 1.00 . A X . 17 LEU CD1 1 1 7 2864 1 1 17 LEU CD2 C -4.837 5.520 -0.963 1.00 . A X . 17 LEU CD2 1 1 7 2865 1 1 17 LEU CG C -5.960 4.780 -0.253 1.00 . A X . 17 LEU CG 1 1 7 2866 1 1 17 LEU H H -5.262 0.867 0.651 1.00 . A X . 17 LEU H 1 1 7 2867 1 1 17 LEU HA H -6.989 2.941 1.622 1.00 . A X . 17 LEU HA 1 1 7 2868 1 1 17 LEU HB2 H -4.707 3.427 0.816 1.00 . A X . 17 LEU HB2 1 1 7 2869 1 1 17 LEU HB3 H -5.160 2.880 -0.787 1.00 . A X . 17 LEU HB3 1 1 7 2870 1 1 17 LEU HD11 H -5.570 5.589 1.688 1.00 . A X . 17 LEU HD11 1 1 7 2871 1 1 17 LEU HD12 H -7.225 5.025 1.456 1.00 . A X . 17 LEU HD12 1 1 7 2872 1 1 17 LEU HD13 H -6.696 6.537 0.718 1.00 . A X . 17 LEU HD13 1 1 7 2873 1 1 17 LEU HD21 H -3.976 5.574 -0.312 1.00 . A X . 17 LEU HD21 1 1 7 2874 1 1 17 LEU HD22 H -5.164 6.518 -1.211 1.00 . A X . 17 LEU HD22 1 1 7 2875 1 1 17 LEU HD23 H -4.570 4.991 -1.866 1.00 . A X . 17 LEU HD23 1 1 7 2876 1 1 17 LEU HG H -6.805 4.728 -0.923 1.00 . A X . 17 LEU HG 1 1 7 2877 1 1 17 LEU N N -6.089 1.174 1.071 1.00 . A X . 17 LEU N 1 1 7 2878 1 1 17 LEU O O -8.773 2.973 -0.178 1.00 . A X . 17 LEU O 1 1 7 2879 1 1 18 ALA C C -9.771 0.287 -1.374 1.00 . A X . 18 ALA C 1 1 7 2880 1 1 18 ALA CA C -8.621 0.982 -2.096 1.00 . A X . 18 ALA CA 1 1 7 2881 1 1 18 ALA CB C -8.067 0.097 -3.203 1.00 . A X . 18 ALA CB 1 1 7 2882 1 1 18 ALA H H -6.716 0.866 -1.194 1.00 . A X . 18 ALA H 1 1 7 2883 1 1 18 ALA HA H -8.979 1.895 -2.536 1.00 . A X . 18 ALA HA 1 1 7 2884 1 1 18 ALA HB1 H -7.246 0.601 -3.691 1.00 . A X . 18 ALA HB1 1 1 7 2885 1 1 18 ALA HB2 H -8.844 -0.105 -3.926 1.00 . A X . 18 ALA HB2 1 1 7 2886 1 1 18 ALA HB3 H -7.719 -0.834 -2.782 1.00 . A X . 18 ALA HB3 1 1 7 2887 1 1 18 ALA N N -7.579 1.335 -1.155 1.00 . A X . 18 ALA N 1 1 7 2888 1 1 18 ALA O O -10.939 0.434 -1.745 1.00 . A X . 18 ALA O 1 1 7 2889 1 1 19 LEU C C -11.354 -0.154 1.142 1.00 . A X . 19 LEU C 1 1 7 2890 1 1 19 LEU CA C -10.407 -1.155 0.490 1.00 . A X . 19 LEU CA 1 1 7 2891 1 1 19 LEU CB C -9.692 -1.977 1.567 1.00 . A X . 19 LEU CB 1 1 7 2892 1 1 19 LEU CD1 C -11.264 -3.929 1.684 1.00 . A X . 19 LEU CD1 1 1 7 2893 1 1 19 LEU CD2 C -9.805 -3.383 3.641 1.00 . A X . 19 LEU CD2 1 1 7 2894 1 1 19 LEU CG C -10.598 -2.814 2.473 1.00 . A X . 19 LEU CG 1 1 7 2895 1 1 19 LEU H H -8.471 -0.579 -0.129 1.00 . A X . 19 LEU H 1 1 7 2896 1 1 19 LEU HA H -10.978 -1.819 -0.143 1.00 . A X . 19 LEU HA 1 1 7 2897 1 1 19 LEU HB2 H -8.998 -2.644 1.076 1.00 . A X . 19 LEU HB2 1 1 7 2898 1 1 19 LEU HB3 H -9.130 -1.297 2.189 1.00 . A X . 19 LEU HB3 1 1 7 2899 1 1 19 LEU HD11 H -11.887 -4.513 2.345 1.00 . A X . 19 LEU HD11 1 1 7 2900 1 1 19 LEU HD12 H -10.505 -4.563 1.250 1.00 . A X . 19 LEU HD12 1 1 7 2901 1 1 19 LEU HD13 H -11.871 -3.503 0.899 1.00 . A X . 19 LEU HD13 1 1 7 2902 1 1 19 LEU HD21 H -9.418 -2.575 4.243 1.00 . A X . 19 LEU HD21 1 1 7 2903 1 1 19 LEU HD22 H -8.985 -3.974 3.263 1.00 . A X . 19 LEU HD22 1 1 7 2904 1 1 19 LEU HD23 H -10.448 -4.005 4.244 1.00 . A X . 19 LEU HD23 1 1 7 2905 1 1 19 LEU HG H -11.376 -2.180 2.874 1.00 . A X . 19 LEU HG 1 1 7 2906 1 1 19 LEU N N -9.425 -0.469 -0.337 1.00 . A X . 19 LEU N 1 1 7 2907 1 1 19 LEU O O -12.569 -0.300 1.074 1.00 . A X . 19 LEU O 1 1 7 2908 1 1 20 LYS C C -12.038 2.997 1.553 1.00 . A X . 20 LYS C 1 1 7 2909 1 1 20 LYS CA C -11.575 1.870 2.475 1.00 . A X . 20 LYS CA 1 1 7 2910 1 1 20 LYS CB C -10.756 2.441 3.639 1.00 . A X . 20 LYS CB 1 1 7 2911 1 1 20 LYS CD C -9.563 2.000 5.828 1.00 . A X . 20 LYS CD 1 1 7 2912 1 1 20 LYS CE C -10.342 2.985 6.696 1.00 . A X . 20 LYS CE 1 1 7 2913 1 1 20 LYS CG C -10.410 1.410 4.704 1.00 . A X . 20 LYS CG 1 1 7 2914 1 1 20 LYS H H -9.810 0.979 1.709 1.00 . A X . 20 LYS H 1 1 7 2915 1 1 20 LYS HA H -12.445 1.371 2.874 1.00 . A X . 20 LYS HA 1 1 7 2916 1 1 20 LYS HB2 H -9.835 2.849 3.250 1.00 . A X . 20 LYS HB2 1 1 7 2917 1 1 20 LYS HB3 H -11.320 3.233 4.109 1.00 . A X . 20 LYS HB3 1 1 7 2918 1 1 20 LYS HD2 H -9.204 1.198 6.455 1.00 . A X . 20 LYS HD2 1 1 7 2919 1 1 20 LYS HD3 H -8.719 2.514 5.389 1.00 . A X . 20 LYS HD3 1 1 7 2920 1 1 20 LYS HE2 H -11.326 2.581 6.880 1.00 . A X . 20 LYS HE2 1 1 7 2921 1 1 20 LYS HE3 H -9.823 3.099 7.637 1.00 . A X . 20 LYS HE3 1 1 7 2922 1 1 20 LYS HG2 H -11.325 1.024 5.126 1.00 . A X . 20 LYS HG2 1 1 7 2923 1 1 20 LYS HG3 H -9.861 0.604 4.239 1.00 . A X . 20 LYS HG3 1 1 7 2924 1 1 20 LYS HZ1 H -11.037 4.254 5.181 1.00 . A X . 20 LYS HZ1 1 1 7 2925 1 1 20 LYS HZ2 H -9.547 4.721 5.843 1.00 . A X . 20 LYS HZ2 1 1 7 2926 1 1 20 LYS HZ3 H -10.983 4.976 6.712 1.00 . A X . 20 LYS HZ3 1 1 7 2927 1 1 20 LYS N N -10.787 0.879 1.749 1.00 . A X . 20 LYS N 1 1 7 2928 1 1 20 LYS NZ N -10.487 4.324 6.062 1.00 . A X . 20 LYS NZ 1 1 7 2929 1 1 20 LYS O O -12.639 3.974 2.005 1.00 . A X . 20 LYS O 1 1 7 2930 1 1 21 LEU C C -13.592 3.785 -1.100 1.00 . A X . 21 LEU C 1 1 7 2931 1 1 21 LEU CA C -12.120 3.873 -0.714 1.00 . A X . 21 LEU CA 1 1 7 2932 1 1 21 LEU CB C -11.247 3.735 -1.965 1.00 . A X . 21 LEU CB 1 1 7 2933 1 1 21 LEU CD1 C -11.112 6.190 -2.486 1.00 . A X . 21 LEU CD1 1 1 7 2934 1 1 21 LEU CD2 C -10.635 4.502 -4.269 1.00 . A X . 21 LEU CD2 1 1 7 2935 1 1 21 LEU CG C -11.461 4.812 -3.032 1.00 . A X . 21 LEU CG 1 1 7 2936 1 1 21 LEU H H -11.321 2.033 -0.041 1.00 . A X . 21 LEU H 1 1 7 2937 1 1 21 LEU HA H -11.936 4.838 -0.263 1.00 . A X . 21 LEU HA 1 1 7 2938 1 1 21 LEU HB2 H -10.209 3.760 -1.661 1.00 . A X . 21 LEU HB2 1 1 7 2939 1 1 21 LEU HB3 H -11.448 2.774 -2.414 1.00 . A X . 21 LEU HB3 1 1 7 2940 1 1 21 LEU HD11 H -10.080 6.202 -2.171 1.00 . A X . 21 LEU HD11 1 1 7 2941 1 1 21 LEU HD12 H -11.748 6.414 -1.642 1.00 . A X . 21 LEU HD12 1 1 7 2942 1 1 21 LEU HD13 H -11.266 6.931 -3.256 1.00 . A X . 21 LEU HD13 1 1 7 2943 1 1 21 LEU HD21 H -10.787 5.277 -5.004 1.00 . A X . 21 LEU HD21 1 1 7 2944 1 1 21 LEU HD22 H -10.944 3.553 -4.679 1.00 . A X . 21 LEU HD22 1 1 7 2945 1 1 21 LEU HD23 H -9.590 4.456 -4.001 1.00 . A X . 21 LEU HD23 1 1 7 2946 1 1 21 LEU HG H -12.502 4.822 -3.318 1.00 . A X . 21 LEU HG 1 1 7 2947 1 1 21 LEU N N -11.771 2.849 0.262 1.00 . A X . 21 LEU N 1 1 7 2948 1 1 21 LEU O O -14.303 4.790 -1.113 1.00 . A X . 21 LEU O 1 1 7 2949 1 1 22 LYS C C -16.097 1.234 -1.166 1.00 . A X . 22 LYS C 1 1 7 2950 1 1 22 LYS CA C -15.412 2.382 -1.891 1.00 . A X . 22 LYS CA 1 1 7 2951 1 1 22 LYS CB C -15.414 2.120 -3.401 1.00 . A X . 22 LYS CB 1 1 7 2952 1 1 22 LYS CD C -14.960 3.005 -5.704 1.00 . A X . 22 LYS CD 1 1 7 2953 1 1 22 LYS CE C -14.484 4.200 -6.511 1.00 . A X . 22 LYS CE 1 1 7 2954 1 1 22 LYS CG C -14.888 3.285 -4.216 1.00 . A X . 22 LYS CG 1 1 7 2955 1 1 22 LYS H H -13.460 1.800 -1.304 1.00 . A X . 22 LYS H 1 1 7 2956 1 1 22 LYS HA H -15.961 3.290 -1.696 1.00 . A X . 22 LYS HA 1 1 7 2957 1 1 22 LYS HB2 H -14.801 1.255 -3.607 1.00 . A X . 22 LYS HB2 1 1 7 2958 1 1 22 LYS HB3 H -16.427 1.916 -3.718 1.00 . A X . 22 LYS HB3 1 1 7 2959 1 1 22 LYS HD2 H -14.337 2.154 -5.933 1.00 . A X . 22 LYS HD2 1 1 7 2960 1 1 22 LYS HD3 H -15.985 2.788 -5.969 1.00 . A X . 22 LYS HD3 1 1 7 2961 1 1 22 LYS HE2 H -13.468 4.427 -6.226 1.00 . A X . 22 LYS HE2 1 1 7 2962 1 1 22 LYS HE3 H -14.516 3.947 -7.559 1.00 . A X . 22 LYS HE3 1 1 7 2963 1 1 22 LYS HG2 H -15.482 4.160 -3.998 1.00 . A X . 22 LYS HG2 1 1 7 2964 1 1 22 LYS HG3 H -13.858 3.468 -3.942 1.00 . A X . 22 LYS HG3 1 1 7 2965 1 1 22 LYS HZ1 H -16.305 5.219 -6.600 1.00 . A X . 22 LYS HZ1 1 1 7 2966 1 1 22 LYS HZ2 H -14.949 6.218 -6.802 1.00 . A X . 22 LYS HZ2 1 1 7 2967 1 1 22 LYS HZ3 H -15.353 5.637 -5.260 1.00 . A X . 22 LYS HZ3 1 1 7 2968 1 1 22 LYS N N -14.048 2.577 -1.409 1.00 . A X . 22 LYS N 1 1 7 2969 1 1 22 LYS NZ N -15.333 5.401 -6.276 1.00 . A X . 22 LYS NZ 1 1 7 2970 1 1 22 LYS O O -16.879 0.493 -1.761 1.00 . A X . 22 LYS O 1 1 7 2971 1 1 23 LYS C C -16.893 0.606 2.259 1.00 . A X . 23 LYS C 1 1 7 2972 1 1 23 LYS CA C -16.434 0.050 0.922 1.00 . A X . 23 LYS CA 1 1 7 2973 1 1 23 LYS CB C -15.493 -1.136 1.128 1.00 . A X . 23 LYS CB 1 1 7 2974 1 1 23 LYS CD C -14.306 -3.083 0.063 1.00 . A X . 23 LYS CD 1 1 7 2975 1 1 23 LYS CE C -14.334 -4.095 -1.071 1.00 . A X . 23 LYS CE 1 1 7 2976 1 1 23 LYS CG C -15.394 -2.038 -0.092 1.00 . A X . 23 LYS CG 1 1 7 2977 1 1 23 LYS H H -15.157 1.689 0.535 1.00 . A X . 23 LYS H 1 1 7 2978 1 1 23 LYS HA H -17.302 -0.290 0.380 1.00 . A X . 23 LYS HA 1 1 7 2979 1 1 23 LYS HB2 H -14.505 -0.766 1.359 1.00 . A X . 23 LYS HB2 1 1 7 2980 1 1 23 LYS HB3 H -15.852 -1.728 1.958 1.00 . A X . 23 LYS HB3 1 1 7 2981 1 1 23 LYS HD2 H -13.347 -2.590 0.065 1.00 . A X . 23 LYS HD2 1 1 7 2982 1 1 23 LYS HD3 H -14.450 -3.600 1.000 1.00 . A X . 23 LYS HD3 1 1 7 2983 1 1 23 LYS HE2 H -13.489 -4.755 -0.962 1.00 . A X . 23 LYS HE2 1 1 7 2984 1 1 23 LYS HE3 H -15.248 -4.668 -1.004 1.00 . A X . 23 LYS HE3 1 1 7 2985 1 1 23 LYS HG2 H -16.339 -2.537 -0.230 1.00 . A X . 23 LYS HG2 1 1 7 2986 1 1 23 LYS HG3 H -15.178 -1.428 -0.958 1.00 . A X . 23 LYS HG3 1 1 7 2987 1 1 23 LYS HZ1 H -15.134 -2.897 -2.590 1.00 . A X . 23 LYS HZ1 1 1 7 2988 1 1 23 LYS HZ2 H -14.168 -4.177 -3.149 1.00 . A X . 23 LYS HZ2 1 1 7 2989 1 1 23 LYS HZ3 H -13.444 -2.808 -2.462 1.00 . A X . 23 LYS HZ3 1 1 7 2990 1 1 23 LYS N N -15.803 1.085 0.116 1.00 . A X . 23 LYS N 1 1 7 2991 1 1 23 LYS NZ N -14.266 -3.450 -2.409 1.00 . A X . 23 LYS NZ 1 1 7 2992 1 1 23 LYS O O -16.093 0.814 3.174 1.00 . A X . 23 LYS O 1 1 7 2993 1 1 24 ALA C C -20.258 0.872 3.610 1.00 . A X . 24 ALA C 1 1 7 2994 1 1 24 ALA CA C -18.812 1.341 3.567 1.00 . A X . 24 ALA CA 1 1 7 2995 1 1 24 ALA CB C -18.733 2.862 3.658 1.00 . A X . 24 ALA CB 1 1 7 2996 1 1 24 ALA H H -18.751 0.724 1.556 1.00 . A X . 24 ALA H 1 1 7 2997 1 1 24 ALA HA H -18.276 0.919 4.405 1.00 . A X . 24 ALA HA 1 1 7 2998 1 1 24 ALA HB1 H -19.191 3.191 4.579 1.00 . A X . 24 ALA HB1 1 1 7 2999 1 1 24 ALA HB2 H -19.256 3.302 2.820 1.00 . A X . 24 ALA HB2 1 1 7 3000 1 1 24 ALA HB3 H -17.697 3.172 3.638 1.00 . A X . 24 ALA HB3 1 1 7 3001 1 1 24 ALA N N -18.187 0.865 2.345 1.00 . A X . 24 ALA N 1 1 7 3002 1 1 24 ALA O O -21.148 1.634 3.183 1.00 . A X . 24 ALA O 1 1 7 3003 1 1 24 ALA OXT O -20.493 -0.284 4.014 1.00 . A X . 24 ALA OXT 1 1 8 3004 1 1 1 LYS C C 12.951 3.999 1.729 1.00 . A X . 1 LYS C 1 1 8 3005 1 1 1 LYS CA C 11.495 4.437 1.619 1.00 . A X . 1 LYS CA 1 1 8 3006 1 1 1 LYS CB C 11.269 5.217 0.315 1.00 . A X . 1 LYS CB 1 1 8 3007 1 1 1 LYS CD C 11.900 7.189 -1.122 1.00 . A X . 1 LYS CD 1 1 8 3008 1 1 1 LYS CE C 10.470 7.489 -1.546 1.00 . A X . 1 LYS CE 1 1 8 3009 1 1 1 LYS CG C 11.967 6.571 0.266 1.00 . A X . 1 LYS CG 1 1 8 3010 1 1 1 LYS H1 H 10.109 5.548 2.717 1.00 . A X . 1 LYS H1 1 1 8 3011 1 1 1 LYS H2 H 11.708 6.111 2.850 1.00 . A X . 1 LYS H2 1 1 8 3012 1 1 1 LYS H3 H 11.231 4.707 3.667 1.00 . A X . 1 LYS H3 1 1 8 3013 1 1 1 LYS HA H 10.875 3.549 1.607 1.00 . A X . 1 LYS HA 1 1 8 3014 1 1 1 LYS HB2 H 11.630 4.623 -0.511 1.00 . A X . 1 LYS HB2 1 1 8 3015 1 1 1 LYS HB3 H 10.210 5.381 0.189 1.00 . A X . 1 LYS HB3 1 1 8 3016 1 1 1 LYS HD2 H 12.462 8.109 -1.121 1.00 . A X . 1 LYS HD2 1 1 8 3017 1 1 1 LYS HD3 H 12.337 6.499 -1.830 1.00 . A X . 1 LYS HD3 1 1 8 3018 1 1 1 LYS HE2 H 10.476 7.828 -2.571 1.00 . A X . 1 LYS HE2 1 1 8 3019 1 1 1 LYS HE3 H 9.892 6.581 -1.471 1.00 . A X . 1 LYS HE3 1 1 8 3020 1 1 1 LYS HG2 H 11.487 7.236 0.968 1.00 . A X . 1 LYS HG2 1 1 8 3021 1 1 1 LYS HG3 H 13.003 6.440 0.543 1.00 . A X . 1 LYS HG3 1 1 8 3022 1 1 1 LYS HZ1 H 8.892 8.770 -1.065 1.00 . A X . 1 LYS HZ1 1 1 8 3023 1 1 1 LYS HZ2 H 10.425 9.399 -0.693 1.00 . A X . 1 LYS HZ2 1 1 8 3024 1 1 1 LYS HZ3 H 9.741 8.193 0.286 1.00 . A X . 1 LYS HZ3 1 1 8 3025 1 1 1 LYS N N 11.109 5.259 2.790 1.00 . A X . 1 LYS N 1 1 8 3026 1 1 1 LYS NZ N 9.839 8.534 -0.695 1.00 . A X . 1 LYS NZ 1 1 8 3027 1 1 1 LYS O O 13.763 4.282 0.850 1.00 . A X . 1 LYS O 1 1 8 3028 1 1 2 LYS C C 15.042 1.868 1.918 1.00 . A X . 2 LYS C 1 1 8 3029 1 1 2 LYS CA C 14.630 2.818 3.033 1.00 . A X . 2 LYS CA 1 1 8 3030 1 1 2 LYS CB C 14.720 2.117 4.385 1.00 . A X . 2 LYS CB 1 1 8 3031 1 1 2 LYS CD C 16.183 1.277 6.243 1.00 . A X . 2 LYS CD 1 1 8 3032 1 1 2 LYS CE C 17.613 1.135 6.736 1.00 . A X . 2 LYS CE 1 1 8 3033 1 1 2 LYS CG C 16.141 1.812 4.821 1.00 . A X . 2 LYS CG 1 1 8 3034 1 1 2 LYS H H 12.586 3.117 3.491 1.00 . A X . 2 LYS H 1 1 8 3035 1 1 2 LYS HA H 15.295 3.670 3.029 1.00 . A X . 2 LYS HA 1 1 8 3036 1 1 2 LYS HB2 H 14.264 2.746 5.133 1.00 . A X . 2 LYS HB2 1 1 8 3037 1 1 2 LYS HB3 H 14.175 1.185 4.330 1.00 . A X . 2 LYS HB3 1 1 8 3038 1 1 2 LYS HD2 H 15.657 1.964 6.890 1.00 . A X . 2 LYS HD2 1 1 8 3039 1 1 2 LYS HD3 H 15.700 0.311 6.270 1.00 . A X . 2 LYS HD3 1 1 8 3040 1 1 2 LYS HE2 H 18.125 0.413 6.117 1.00 . A X . 2 LYS HE2 1 1 8 3041 1 1 2 LYS HE3 H 18.105 2.093 6.648 1.00 . A X . 2 LYS HE3 1 1 8 3042 1 1 2 LYS HG2 H 16.560 1.073 4.154 1.00 . A X . 2 LYS HG2 1 1 8 3043 1 1 2 LYS HG3 H 16.725 2.718 4.770 1.00 . A X . 2 LYS HG3 1 1 8 3044 1 1 2 LYS HZ1 H 17.261 -0.262 8.251 1.00 . A X . 2 LYS HZ1 1 1 8 3045 1 1 2 LYS HZ2 H 17.155 1.350 8.762 1.00 . A X . 2 LYS HZ2 1 1 8 3046 1 1 2 LYS HZ3 H 18.672 0.653 8.468 1.00 . A X . 2 LYS HZ3 1 1 8 3047 1 1 2 LYS N N 13.276 3.304 2.812 1.00 . A X . 2 LYS N 1 1 8 3048 1 1 2 LYS NZ N 17.679 0.689 8.151 1.00 . A X . 2 LYS NZ 1 1 8 3049 1 1 2 LYS O O 14.510 0.761 1.811 1.00 . A X . 2 LYS O 1 1 8 3050 1 1 3 LEU C C 15.289 1.268 -1.045 1.00 . A X . 3 LEU C 1 1 8 3051 1 1 3 LEU CA C 16.438 1.577 -0.086 1.00 . A X . 3 LEU CA 1 1 8 3052 1 1 3 LEU CB C 17.125 0.281 0.361 1.00 . A X . 3 LEU CB 1 1 8 3053 1 1 3 LEU CD1 C 18.917 -0.877 1.686 1.00 . A X . 3 LEU CD1 1 1 8 3054 1 1 3 LEU CD2 C 19.390 1.331 0.609 1.00 . A X . 3 LEU CD2 1 1 8 3055 1 1 3 LEU CG C 18.333 0.470 1.284 1.00 . A X . 3 LEU CG 1 1 8 3056 1 1 3 LEU H H 16.331 3.233 1.228 1.00 . A X . 3 LEU H 1 1 8 3057 1 1 3 LEU HA H 17.157 2.193 -0.603 1.00 . A X . 3 LEU HA 1 1 8 3058 1 1 3 LEU HB2 H 16.395 -0.327 0.876 1.00 . A X . 3 LEU HB2 1 1 8 3059 1 1 3 LEU HB3 H 17.453 -0.250 -0.521 1.00 . A X . 3 LEU HB3 1 1 8 3060 1 1 3 LEU HD11 H 18.167 -1.454 2.207 1.00 . A X . 3 LEU HD11 1 1 8 3061 1 1 3 LEU HD12 H 19.766 -0.722 2.335 1.00 . A X . 3 LEU HD12 1 1 8 3062 1 1 3 LEU HD13 H 19.233 -1.410 0.801 1.00 . A X . 3 LEU HD13 1 1 8 3063 1 1 3 LEU HD21 H 19.729 0.843 -0.293 1.00 . A X . 3 LEU HD21 1 1 8 3064 1 1 3 LEU HD22 H 20.227 1.469 1.279 1.00 . A X . 3 LEU HD22 1 1 8 3065 1 1 3 LEU HD23 H 18.966 2.292 0.360 1.00 . A X . 3 LEU HD23 1 1 8 3066 1 1 3 LEU HG H 18.013 0.976 2.184 1.00 . A X . 3 LEU HG 1 1 8 3067 1 1 3 LEU N N 15.959 2.336 1.071 1.00 . A X . 3 LEU N 1 1 8 3068 1 1 3 LEU O O 15.379 0.358 -1.868 1.00 . A X . 3 LEU O 1 1 8 3069 1 1 4 LYS C C 12.371 0.461 -1.403 1.00 . A X . 4 LYS C 1 1 8 3070 1 1 4 LYS CA C 12.974 1.836 -1.683 1.00 . A X . 4 LYS CA 1 1 8 3071 1 1 4 LYS CB C 13.186 2.025 -3.192 1.00 . A X . 4 LYS CB 1 1 8 3072 1 1 4 LYS CD C 14.431 4.228 -3.157 1.00 . A X . 4 LYS CD 1 1 8 3073 1 1 4 LYS CE C 15.688 3.744 -3.863 1.00 . A X . 4 LYS CE 1 1 8 3074 1 1 4 LYS CG C 13.195 3.483 -3.638 1.00 . A X . 4 LYS CG 1 1 8 3075 1 1 4 LYS H H 14.257 2.806 -0.303 1.00 . A X . 4 LYS H 1 1 8 3076 1 1 4 LYS HA H 12.269 2.580 -1.345 1.00 . A X . 4 LYS HA 1 1 8 3077 1 1 4 LYS HB2 H 14.129 1.580 -3.470 1.00 . A X . 4 LYS HB2 1 1 8 3078 1 1 4 LYS HB3 H 12.391 1.517 -3.717 1.00 . A X . 4 LYS HB3 1 1 8 3079 1 1 4 LYS HD2 H 14.303 5.282 -3.354 1.00 . A X . 4 LYS HD2 1 1 8 3080 1 1 4 LYS HD3 H 14.542 4.069 -2.094 1.00 . A X . 4 LYS HD3 1 1 8 3081 1 1 4 LYS HE2 H 16.546 4.221 -3.413 1.00 . A X . 4 LYS HE2 1 1 8 3082 1 1 4 LYS HE3 H 15.766 2.674 -3.740 1.00 . A X . 4 LYS HE3 1 1 8 3083 1 1 4 LYS HG2 H 13.170 3.516 -4.716 1.00 . A X . 4 LYS HG2 1 1 8 3084 1 1 4 LYS HG3 H 12.316 3.970 -3.242 1.00 . A X . 4 LYS HG3 1 1 8 3085 1 1 4 LYS HZ1 H 15.550 5.094 -5.450 1.00 . A X . 4 LYS HZ1 1 1 8 3086 1 1 4 LYS HZ2 H 14.869 3.575 -5.781 1.00 . A X . 4 LYS HZ2 1 1 8 3087 1 1 4 LYS HZ3 H 16.554 3.764 -5.765 1.00 . A X . 4 LYS HZ3 1 1 8 3088 1 1 4 LYS N N 14.213 2.049 -0.926 1.00 . A X . 4 LYS N 1 1 8 3089 1 1 4 LYS NZ N 15.664 4.065 -5.315 1.00 . A X . 4 LYS NZ 1 1 8 3090 1 1 4 LYS O O 11.438 0.031 -2.083 1.00 . A X . 4 LYS O 1 1 8 3091 1 1 5 LEU C C 11.195 -1.356 0.919 1.00 . A X . 5 LEU C 1 1 8 3092 1 1 5 LEU CA C 12.388 -1.521 -0.001 1.00 . A X . 5 LEU CA 1 1 8 3093 1 1 5 LEU CB C 13.490 -2.338 0.685 1.00 . A X . 5 LEU CB 1 1 8 3094 1 1 5 LEU CD1 C 12.796 -4.582 -0.215 1.00 . A X . 5 LEU CD1 1 1 8 3095 1 1 5 LEU CD2 C 14.235 -4.444 1.823 1.00 . A X . 5 LEU CD2 1 1 8 3096 1 1 5 LEU CG C 13.114 -3.781 1.039 1.00 . A X . 5 LEU CG 1 1 8 3097 1 1 5 LEU H H 13.599 0.209 0.151 1.00 . A X . 5 LEU H 1 1 8 3098 1 1 5 LEU HA H 12.067 -2.026 -0.899 1.00 . A X . 5 LEU HA 1 1 8 3099 1 1 5 LEU HB2 H 14.350 -2.362 0.031 1.00 . A X . 5 LEU HB2 1 1 8 3100 1 1 5 LEU HB3 H 13.767 -1.830 1.595 1.00 . A X . 5 LEU HB3 1 1 8 3101 1 1 5 LEU HD11 H 12.531 -5.592 0.061 1.00 . A X . 5 LEU HD11 1 1 8 3102 1 1 5 LEU HD12 H 13.663 -4.603 -0.861 1.00 . A X . 5 LEU HD12 1 1 8 3103 1 1 5 LEU HD13 H 11.970 -4.123 -0.737 1.00 . A X . 5 LEU HD13 1 1 8 3104 1 1 5 LEU HD21 H 14.409 -3.897 2.738 1.00 . A X . 5 LEU HD21 1 1 8 3105 1 1 5 LEU HD22 H 15.137 -4.448 1.228 1.00 . A X . 5 LEU HD22 1 1 8 3106 1 1 5 LEU HD23 H 13.956 -5.460 2.060 1.00 . A X . 5 LEU HD23 1 1 8 3107 1 1 5 LEU HG H 12.231 -3.772 1.661 1.00 . A X . 5 LEU HG 1 1 8 3108 1 1 5 LEU N N 12.880 -0.205 -0.376 1.00 . A X . 5 LEU N 1 1 8 3109 1 1 5 LEU O O 10.172 -2.019 0.763 1.00 . A X . 5 LEU O 1 1 8 3110 1 1 6 ALA C C 9.380 1.007 1.988 1.00 . A X . 6 ALA C 1 1 8 3111 1 1 6 ALA CA C 10.215 -0.046 2.708 1.00 . A X . 6 ALA CA 1 1 8 3112 1 1 6 ALA CB C 10.721 0.476 4.045 1.00 . A X . 6 ALA CB 1 1 8 3113 1 1 6 ALA H H 12.203 -0.015 2.001 1.00 . A X . 6 ALA H 1 1 8 3114 1 1 6 ALA HA H 9.604 -0.919 2.889 1.00 . A X . 6 ALA HA 1 1 8 3115 1 1 6 ALA HB1 H 11.319 -0.285 4.526 1.00 . A X . 6 ALA HB1 1 1 8 3116 1 1 6 ALA HB2 H 9.880 0.725 4.676 1.00 . A X . 6 ALA HB2 1 1 8 3117 1 1 6 ALA HB3 H 11.323 1.358 3.883 1.00 . A X . 6 ALA HB3 1 1 8 3118 1 1 6 ALA N N 11.328 -0.437 1.865 1.00 . A X . 6 ALA N 1 1 8 3119 1 1 6 ALA O O 9.095 2.078 2.521 1.00 . A X . 6 ALA O 1 1 8 3120 1 1 7 LEU C C 7.376 0.753 -1.042 1.00 . A X . 7 LEU C 1 1 8 3121 1 1 7 LEU CA C 8.224 1.577 -0.083 1.00 . A X . 7 LEU CA 1 1 8 3122 1 1 7 LEU CB C 9.117 2.539 -0.874 1.00 . A X . 7 LEU CB 1 1 8 3123 1 1 7 LEU CD1 C 7.557 4.498 -1.001 1.00 . A X . 7 LEU CD1 1 1 8 3124 1 1 7 LEU CD2 C 9.345 4.220 -2.728 1.00 . A X . 7 LEU CD2 1 1 8 3125 1 1 7 LEU CG C 8.373 3.499 -1.806 1.00 . A X . 7 LEU CG 1 1 8 3126 1 1 7 LEU H H 9.338 -0.159 0.368 1.00 . A X . 7 LEU H 1 1 8 3127 1 1 7 LEU HA H 7.574 2.147 0.565 1.00 . A X . 7 LEU HA 1 1 8 3128 1 1 7 LEU HB2 H 9.689 3.125 -0.169 1.00 . A X . 7 LEU HB2 1 1 8 3129 1 1 7 LEU HB3 H 9.802 1.953 -1.468 1.00 . A X . 7 LEU HB3 1 1 8 3130 1 1 7 LEU HD11 H 8.218 5.070 -0.366 1.00 . A X . 7 LEU HD11 1 1 8 3131 1 1 7 LEU HD12 H 6.840 3.970 -0.391 1.00 . A X . 7 LEU HD12 1 1 8 3132 1 1 7 LEU HD13 H 7.038 5.165 -1.674 1.00 . A X . 7 LEU HD13 1 1 8 3133 1 1 7 LEU HD21 H 10.035 4.804 -2.137 1.00 . A X . 7 LEU HD21 1 1 8 3134 1 1 7 LEU HD22 H 8.797 4.873 -3.391 1.00 . A X . 7 LEU HD22 1 1 8 3135 1 1 7 LEU HD23 H 9.895 3.496 -3.311 1.00 . A X . 7 LEU HD23 1 1 8 3136 1 1 7 LEU HG H 7.688 2.932 -2.420 1.00 . A X . 7 LEU HG 1 1 8 3137 1 1 7 LEU N N 9.034 0.698 0.744 1.00 . A X . 7 LEU N 1 1 8 3138 1 1 7 LEU O O 6.154 0.684 -0.911 1.00 . A X . 7 LEU O 1 1 8 3139 1 1 8 ALA C C 7.230 -2.141 -2.544 1.00 . A X . 8 ALA C 1 1 8 3140 1 1 8 ALA CA C 7.357 -0.693 -2.998 1.00 . A X . 8 ALA CA 1 1 8 3141 1 1 8 ALA CB C 8.099 -0.606 -4.325 1.00 . A X . 8 ALA CB 1 1 8 3142 1 1 8 ALA H H 9.018 0.147 -2.003 1.00 . A X . 8 ALA H 1 1 8 3143 1 1 8 ALA HA H 6.369 -0.281 -3.135 1.00 . A X . 8 ALA HA 1 1 8 3144 1 1 8 ALA HB1 H 9.089 -1.023 -4.211 1.00 . A X . 8 ALA HB1 1 1 8 3145 1 1 8 ALA HB2 H 8.176 0.427 -4.629 1.00 . A X . 8 ALA HB2 1 1 8 3146 1 1 8 ALA HB3 H 7.557 -1.163 -5.076 1.00 . A X . 8 ALA HB3 1 1 8 3147 1 1 8 ALA N N 8.039 0.100 -1.988 1.00 . A X . 8 ALA N 1 1 8 3148 1 1 8 ALA O O 7.387 -3.073 -3.334 1.00 . A X . 8 ALA O 1 1 8 3149 1 1 9 LYS C C 5.438 -4.235 -0.950 1.00 . A X . 9 LYS C 1 1 8 3150 1 1 9 LYS CA C 6.825 -3.647 -0.681 1.00 . A X . 9 LYS CA 1 1 8 3151 1 1 9 LYS CB C 7.109 -3.581 0.826 1.00 . A X . 9 LYS CB 1 1 8 3152 1 1 9 LYS CD C 7.479 -4.807 2.989 1.00 . A X . 9 LYS CD 1 1 8 3153 1 1 9 LYS CE C 7.448 -6.156 3.690 1.00 . A X . 9 LYS CE 1 1 8 3154 1 1 9 LYS CG C 7.155 -4.939 1.509 1.00 . A X . 9 LYS CG 1 1 8 3155 1 1 9 LYS H H 6.795 -1.536 -0.693 1.00 . A X . 9 LYS H 1 1 8 3156 1 1 9 LYS HA H 7.566 -4.275 -1.150 1.00 . A X . 9 LYS HA 1 1 8 3157 1 1 9 LYS HB2 H 8.062 -3.097 0.978 1.00 . A X . 9 LYS HB2 1 1 8 3158 1 1 9 LYS HB3 H 6.339 -2.992 1.301 1.00 . A X . 9 LYS HB3 1 1 8 3159 1 1 9 LYS HD2 H 8.466 -4.382 3.093 1.00 . A X . 9 LYS HD2 1 1 8 3160 1 1 9 LYS HD3 H 6.753 -4.153 3.448 1.00 . A X . 9 LYS HD3 1 1 8 3161 1 1 9 LYS HE2 H 7.682 -6.011 4.736 1.00 . A X . 9 LYS HE2 1 1 8 3162 1 1 9 LYS HE3 H 6.454 -6.571 3.600 1.00 . A X . 9 LYS HE3 1 1 8 3163 1 1 9 LYS HG2 H 6.193 -5.419 1.401 1.00 . A X . 9 LYS HG2 1 1 8 3164 1 1 9 LYS HG3 H 7.914 -5.543 1.036 1.00 . A X . 9 LYS HG3 1 1 8 3165 1 1 9 LYS HZ1 H 8.264 -8.071 3.482 1.00 . A X . 9 LYS HZ1 1 1 8 3166 1 1 9 LYS HZ2 H 9.402 -6.822 3.347 1.00 . A X . 9 LYS HZ2 1 1 8 3167 1 1 9 LYS HZ3 H 8.336 -7.137 2.068 1.00 . A X . 9 LYS HZ3 1 1 8 3168 1 1 9 LYS N N 6.938 -2.320 -1.262 1.00 . A X . 9 LYS N 1 1 8 3169 1 1 9 LYS NZ N 8.428 -7.111 3.107 1.00 . A X . 9 LYS NZ 1 1 8 3170 1 1 9 LYS O O 4.614 -4.355 -0.045 1.00 . A X . 9 LYS O 1 1 8 3171 1 1 10 LEU C C 2.743 -4.246 -2.473 1.00 . A X . 10 LEU C 1 1 8 3172 1 1 10 LEU CA C 3.931 -5.194 -2.649 1.00 . A X . 10 LEU CA 1 1 8 3173 1 1 10 LEU CB C 3.669 -6.514 -1.905 1.00 . A X . 10 LEU CB 1 1 8 3174 1 1 10 LEU CD1 C 5.971 -7.545 -2.140 1.00 . A X . 10 LEU CD1 1 1 8 3175 1 1 10 LEU CD2 C 3.989 -8.990 -1.681 1.00 . A X . 10 LEU CD2 1 1 8 3176 1 1 10 LEU CG C 4.478 -7.732 -2.379 1.00 . A X . 10 LEU CG 1 1 8 3177 1 1 10 LEU H H 5.886 -4.407 -2.894 1.00 . A X . 10 LEU H 1 1 8 3178 1 1 10 LEU HA H 4.029 -5.412 -3.704 1.00 . A X . 10 LEU HA 1 1 8 3179 1 1 10 LEU HB2 H 3.883 -6.357 -0.858 1.00 . A X . 10 LEU HB2 1 1 8 3180 1 1 10 LEU HB3 H 2.620 -6.751 -2.004 1.00 . A X . 10 LEU HB3 1 1 8 3181 1 1 10 LEU HD11 H 6.155 -7.426 -1.082 1.00 . A X . 10 LEU HD11 1 1 8 3182 1 1 10 LEU HD12 H 6.316 -6.667 -2.666 1.00 . A X . 10 LEU HD12 1 1 8 3183 1 1 10 LEU HD13 H 6.503 -8.413 -2.501 1.00 . A X . 10 LEU HD13 1 1 8 3184 1 1 10 LEU HD21 H 2.953 -9.160 -1.931 1.00 . A X . 10 LEU HD21 1 1 8 3185 1 1 10 LEU HD22 H 4.086 -8.869 -0.612 1.00 . A X . 10 LEU HD22 1 1 8 3186 1 1 10 LEU HD23 H 4.580 -9.835 -2.003 1.00 . A X . 10 LEU HD23 1 1 8 3187 1 1 10 LEU HG H 4.326 -7.862 -3.441 1.00 . A X . 10 LEU HG 1 1 8 3188 1 1 10 LEU N N 5.192 -4.576 -2.219 1.00 . A X . 10 LEU N 1 1 8 3189 1 1 10 LEU O O 1.595 -4.682 -2.388 1.00 . A X . 10 LEU O 1 1 8 3190 1 1 11 ALA C C 1.120 -2.123 -1.081 1.00 . A X . 11 ALA C 1 1 8 3191 1 1 11 ALA CA C 2.045 -1.887 -2.281 1.00 . A X . 11 ALA CA 1 1 8 3192 1 1 11 ALA CB C 1.235 -1.756 -3.561 1.00 . A X . 11 ALA CB 1 1 8 3193 1 1 11 ALA H H 3.989 -2.689 -2.496 1.00 . A X . 11 ALA H 1 1 8 3194 1 1 11 ALA HA H 2.572 -0.957 -2.126 1.00 . A X . 11 ALA HA 1 1 8 3195 1 1 11 ALA HB1 H 0.681 -2.668 -3.730 1.00 . A X . 11 ALA HB1 1 1 8 3196 1 1 11 ALA HB2 H 1.903 -1.583 -4.390 1.00 . A X . 11 ALA HB2 1 1 8 3197 1 1 11 ALA HB3 H 0.549 -0.927 -3.471 1.00 . A X . 11 ALA HB3 1 1 8 3198 1 1 11 ALA N N 3.048 -2.946 -2.427 1.00 . A X . 11 ALA N 1 1 8 3199 1 1 11 ALA O O -0.089 -2.287 -1.242 1.00 . A X . 11 ALA O 1 1 8 3200 1 1 12 PRO C C -0.161 -1.345 1.666 1.00 . A X . 12 PRO C 1 1 8 3201 1 1 12 PRO CA C 0.893 -2.408 1.357 1.00 . A X . 12 PRO CA 1 1 8 3202 1 1 12 PRO CB C 1.951 -2.450 2.464 1.00 . A X . 12 PRO CB 1 1 8 3203 1 1 12 PRO CD C 3.068 -1.743 0.467 1.00 . A X . 12 PRO CD 1 1 8 3204 1 1 12 PRO CG C 3.068 -1.602 1.965 1.00 . A X . 12 PRO CG 1 1 8 3205 1 1 12 PRO HA H 0.416 -3.373 1.279 1.00 . A X . 12 PRO HA 1 1 8 3206 1 1 12 PRO HB2 H 1.532 -2.052 3.378 1.00 . A X . 12 PRO HB2 1 1 8 3207 1 1 12 PRO HB3 H 2.270 -3.469 2.623 1.00 . A X . 12 PRO HB3 1 1 8 3208 1 1 12 PRO HD2 H 3.347 -0.809 0.001 1.00 . A X . 12 PRO HD2 1 1 8 3209 1 1 12 PRO HD3 H 3.742 -2.532 0.164 1.00 . A X . 12 PRO HD3 1 1 8 3210 1 1 12 PRO HG2 H 2.900 -0.572 2.245 1.00 . A X . 12 PRO HG2 1 1 8 3211 1 1 12 PRO HG3 H 4.005 -1.951 2.374 1.00 . A X . 12 PRO HG3 1 1 8 3212 1 1 12 PRO N N 1.668 -2.096 0.151 1.00 . A X . 12 PRO N 1 1 8 3213 1 1 12 PRO O O -1.231 -1.648 2.197 1.00 . A X . 12 PRO O 1 1 8 3214 1 1 13 LEU C C -1.903 1.036 0.578 1.00 . A X . 13 LEU C 1 1 8 3215 1 1 13 LEU CA C -0.758 1.010 1.587 1.00 . A X . 13 LEU CA 1 1 8 3216 1 1 13 LEU CB C -0.007 2.354 1.561 1.00 . A X . 13 LEU CB 1 1 8 3217 1 1 13 LEU CD1 C 0.919 4.270 0.235 1.00 . A X . 13 LEU CD1 1 1 8 3218 1 1 13 LEU CD2 C 1.752 1.969 -0.207 1.00 . A X . 13 LEU CD2 1 1 8 3219 1 1 13 LEU CG C 0.543 2.799 0.196 1.00 . A X . 13 LEU CG 1 1 8 3220 1 1 13 LEU H H 0.996 0.070 0.871 1.00 . A X . 13 LEU H 1 1 8 3221 1 1 13 LEU HA H -1.173 0.861 2.573 1.00 . A X . 13 LEU HA 1 1 8 3222 1 1 13 LEU HB2 H -0.681 3.120 1.915 1.00 . A X . 13 LEU HB2 1 1 8 3223 1 1 13 LEU HB3 H 0.822 2.286 2.250 1.00 . A X . 13 LEU HB3 1 1 8 3224 1 1 13 LEU HD11 H 0.051 4.854 0.502 1.00 . A X . 13 LEU HD11 1 1 8 3225 1 1 13 LEU HD12 H 1.273 4.576 -0.738 1.00 . A X . 13 LEU HD12 1 1 8 3226 1 1 13 LEU HD13 H 1.697 4.425 0.968 1.00 . A X . 13 LEU HD13 1 1 8 3227 1 1 13 LEU HD21 H 1.463 0.933 -0.294 1.00 . A X . 13 LEU HD21 1 1 8 3228 1 1 13 LEU HD22 H 2.522 2.066 0.544 1.00 . A X . 13 LEU HD22 1 1 8 3229 1 1 13 LEU HD23 H 2.129 2.318 -1.157 1.00 . A X . 13 LEU HD23 1 1 8 3230 1 1 13 LEU HG H -0.223 2.668 -0.556 1.00 . A X . 13 LEU HG 1 1 8 3231 1 1 13 LEU N N 0.143 -0.102 1.318 1.00 . A X . 13 LEU N 1 1 8 3232 1 1 13 LEU O O -2.949 1.635 0.828 1.00 . A X . 13 LEU O 1 1 8 3233 1 1 14 TRP C C -3.869 -0.552 -1.218 1.00 . A X . 14 TRP C 1 1 8 3234 1 1 14 TRP CA C -2.701 0.345 -1.613 1.00 . A X . 14 TRP CA 1 1 8 3235 1 1 14 TRP CB C -2.070 -0.127 -2.927 1.00 . A X . 14 TRP CB 1 1 8 3236 1 1 14 TRP CD1 C -3.574 1.132 -4.575 1.00 . A X . 14 TRP CD1 1 1 8 3237 1 1 14 TRP CD2 C -3.403 -1.064 -4.983 1.00 . A X . 14 TRP CD2 1 1 8 3238 1 1 14 TRP CE2 C -4.248 -0.491 -5.952 1.00 . A X . 14 TRP CE2 1 1 8 3239 1 1 14 TRP CE3 C -3.144 -2.435 -5.044 1.00 . A X . 14 TRP CE3 1 1 8 3240 1 1 14 TRP CG C -2.983 -0.008 -4.109 1.00 . A X . 14 TRP CG 1 1 8 3241 1 1 14 TRP CH2 C -4.571 -2.582 -6.997 1.00 . A X . 14 TRP CH2 1 1 8 3242 1 1 14 TRP CZ2 C -4.839 -1.242 -6.964 1.00 . A X . 14 TRP CZ2 1 1 8 3243 1 1 14 TRP CZ3 C -3.732 -3.181 -6.049 1.00 . A X . 14 TRP CZ3 1 1 8 3244 1 1 14 TRP H H -0.868 -0.131 -0.671 1.00 . A X . 14 TRP H 1 1 8 3245 1 1 14 TRP HA H -3.067 1.352 -1.741 1.00 . A X . 14 TRP HA 1 1 8 3246 1 1 14 TRP HB2 H -1.187 0.463 -3.126 1.00 . A X . 14 TRP HB2 1 1 8 3247 1 1 14 TRP HB3 H -1.789 -1.165 -2.829 1.00 . A X . 14 TRP HB3 1 1 8 3248 1 1 14 TRP HD1 H -3.454 2.108 -4.126 1.00 . A X . 14 TRP HD1 1 1 8 3249 1 1 14 TRP HE1 H -4.871 1.511 -6.195 1.00 . A X . 14 TRP HE1 1 1 8 3250 1 1 14 TRP HE3 H -2.505 -2.913 -4.322 1.00 . A X . 14 TRP HE3 1 1 8 3251 1 1 14 TRP HH2 H -5.008 -3.200 -7.766 1.00 . A X . 14 TRP HH2 1 1 8 3252 1 1 14 TRP HZ2 H -5.486 -0.795 -7.706 1.00 . A X . 14 TRP HZ2 1 1 8 3253 1 1 14 TRP HZ3 H -3.546 -4.241 -6.110 1.00 . A X . 14 TRP HZ3 1 1 8 3254 1 1 14 TRP N N -1.704 0.366 -0.552 1.00 . A X . 14 TRP N 1 1 8 3255 1 1 14 TRP NE1 N -4.338 0.850 -5.680 1.00 . A X . 14 TRP NE1 1 1 8 3256 1 1 14 TRP O O -5.013 -0.314 -1.616 1.00 . A X . 14 TRP O 1 1 8 3257 1 1 15 LYS C C -5.654 -1.624 0.867 1.00 . A X . 15 LYS C 1 1 8 3258 1 1 15 LYS CA C -4.607 -2.446 0.125 1.00 . A X . 15 LYS CA 1 1 8 3259 1 1 15 LYS CB C -3.993 -3.472 1.077 1.00 . A X . 15 LYS CB 1 1 8 3260 1 1 15 LYS CD C -2.473 -5.453 1.398 1.00 . A X . 15 LYS CD 1 1 8 3261 1 1 15 LYS CE C -3.474 -6.151 2.313 1.00 . A X . 15 LYS CE 1 1 8 3262 1 1 15 LYS CG C -3.152 -4.533 0.389 1.00 . A X . 15 LYS CG 1 1 8 3263 1 1 15 LYS H H -2.635 -1.744 -0.195 1.00 . A X . 15 LYS H 1 1 8 3264 1 1 15 LYS HA H -5.081 -2.961 -0.699 1.00 . A X . 15 LYS HA 1 1 8 3265 1 1 15 LYS HB2 H -3.364 -2.951 1.783 1.00 . A X . 15 LYS HB2 1 1 8 3266 1 1 15 LYS HB3 H -4.789 -3.966 1.614 1.00 . A X . 15 LYS HB3 1 1 8 3267 1 1 15 LYS HD2 H -1.914 -6.205 0.860 1.00 . A X . 15 LYS HD2 1 1 8 3268 1 1 15 LYS HD3 H -1.797 -4.866 2.001 1.00 . A X . 15 LYS HD3 1 1 8 3269 1 1 15 LYS HE2 H -2.933 -6.781 3.004 1.00 . A X . 15 LYS HE2 1 1 8 3270 1 1 15 LYS HE3 H -4.022 -5.402 2.865 1.00 . A X . 15 LYS HE3 1 1 8 3271 1 1 15 LYS HG2 H -3.790 -5.126 -0.250 1.00 . A X . 15 LYS HG2 1 1 8 3272 1 1 15 LYS HG3 H -2.394 -4.047 -0.208 1.00 . A X . 15 LYS HG3 1 1 8 3273 1 1 15 LYS HZ1 H -3.932 -7.527 0.813 1.00 . A X . 15 LYS HZ1 1 1 8 3274 1 1 15 LYS HZ2 H -5.161 -6.391 1.099 1.00 . A X . 15 LYS HZ2 1 1 8 3275 1 1 15 LYS HZ3 H -4.911 -7.664 2.189 1.00 . A X . 15 LYS HZ3 1 1 8 3276 1 1 15 LYS N N -3.575 -1.573 -0.419 1.00 . A X . 15 LYS N 1 1 8 3277 1 1 15 LYS NZ N -4.434 -6.989 1.550 1.00 . A X . 15 LYS NZ 1 1 8 3278 1 1 15 LYS O O -6.839 -1.653 0.536 1.00 . A X . 15 LYS O 1 1 8 3279 1 1 16 ALA C C -6.219 1.357 1.990 1.00 . A X . 16 ALA C 1 1 8 3280 1 1 16 ALA CA C -6.088 -0.017 2.632 1.00 . A X . 16 ALA CA 1 1 8 3281 1 1 16 ALA CB C -5.583 0.092 4.061 1.00 . A X . 16 ALA CB 1 1 8 3282 1 1 16 ALA H H -4.242 -0.863 2.054 1.00 . A X . 16 ALA H 1 1 8 3283 1 1 16 ALA HA H -7.064 -0.487 2.647 1.00 . A X . 16 ALA HA 1 1 8 3284 1 1 16 ALA HB1 H -4.591 0.522 4.060 1.00 . A X . 16 ALA HB1 1 1 8 3285 1 1 16 ALA HB2 H -5.548 -0.891 4.505 1.00 . A X . 16 ALA HB2 1 1 8 3286 1 1 16 ALA HB3 H -6.248 0.722 4.631 1.00 . A X . 16 ALA HB3 1 1 8 3287 1 1 16 ALA N N -5.201 -0.862 1.850 1.00 . A X . 16 ALA N 1 1 8 3288 1 1 16 ALA O O -6.243 2.385 2.668 1.00 . A X . 16 ALA O 1 1 8 3289 1 1 17 LEU C C -7.723 2.439 -0.962 1.00 . A X . 17 LEU C 1 1 8 3290 1 1 17 LEU CA C -6.497 2.586 -0.078 1.00 . A X . 17 LEU CA 1 1 8 3291 1 1 17 LEU CB C -5.269 2.909 -0.930 1.00 . A X . 17 LEU CB 1 1 8 3292 1 1 17 LEU CD1 C -5.528 5.403 -0.885 1.00 . A X . 17 LEU CD1 1 1 8 3293 1 1 17 LEU CD2 C -4.145 4.325 -2.660 1.00 . A X . 17 LEU CD2 1 1 8 3294 1 1 17 LEU CG C -5.369 4.181 -1.774 1.00 . A X . 17 LEU CG 1 1 8 3295 1 1 17 LEU H H -6.183 0.517 0.187 1.00 . A X . 17 LEU H 1 1 8 3296 1 1 17 LEU HA H -6.665 3.387 0.625 1.00 . A X . 17 LEU HA 1 1 8 3297 1 1 17 LEU HB2 H -4.418 3.006 -0.272 1.00 . A X . 17 LEU HB2 1 1 8 3298 1 1 17 LEU HB3 H -5.092 2.076 -1.595 1.00 . A X . 17 LEU HB3 1 1 8 3299 1 1 17 LEU HD11 H -4.685 5.471 -0.213 1.00 . A X . 17 LEU HD11 1 1 8 3300 1 1 17 LEU HD12 H -6.440 5.318 -0.313 1.00 . A X . 17 LEU HD12 1 1 8 3301 1 1 17 LEU HD13 H -5.570 6.290 -1.499 1.00 . A X . 17 LEU HD13 1 1 8 3302 1 1 17 LEU HD21 H -3.258 4.355 -2.046 1.00 . A X . 17 LEU HD21 1 1 8 3303 1 1 17 LEU HD22 H -4.220 5.240 -3.229 1.00 . A X . 17 LEU HD22 1 1 8 3304 1 1 17 LEU HD23 H -4.088 3.484 -3.335 1.00 . A X . 17 LEU HD23 1 1 8 3305 1 1 17 LEU HG H -6.239 4.114 -2.412 1.00 . A X . 17 LEU HG 1 1 8 3306 1 1 17 LEU N N -6.286 1.364 0.672 1.00 . A X . 17 LEU N 1 1 8 3307 1 1 17 LEU O O -8.667 3.211 -0.865 1.00 . A X . 17 LEU O 1 1 8 3308 1 1 18 ALA C C -9.877 0.303 -2.216 1.00 . A X . 18 ALA C 1 1 8 3309 1 1 18 ALA CA C -8.793 1.222 -2.762 1.00 . A X . 18 ALA CA 1 1 8 3310 1 1 18 ALA CB C -8.238 0.677 -4.070 1.00 . A X . 18 ALA CB 1 1 8 3311 1 1 18 ALA H H -6.971 0.778 -1.782 1.00 . A X . 18 ALA H 1 1 8 3312 1 1 18 ALA HA H -9.232 2.187 -2.959 1.00 . A X . 18 ALA HA 1 1 8 3313 1 1 18 ALA HB1 H -7.810 -0.300 -3.902 1.00 . A X . 18 ALA HB1 1 1 8 3314 1 1 18 ALA HB2 H -7.476 1.344 -4.445 1.00 . A X . 18 ALA HB2 1 1 8 3315 1 1 18 ALA HB3 H -9.036 0.600 -4.794 1.00 . A X . 18 ALA HB3 1 1 8 3316 1 1 18 ALA N N -7.717 1.415 -1.802 1.00 . A X . 18 ALA N 1 1 8 3317 1 1 18 ALA O O -10.905 0.086 -2.863 1.00 . A X . 18 ALA O 1 1 8 3318 1 1 19 LEU C C -11.603 -0.304 0.457 1.00 . A X . 19 LEU C 1 1 8 3319 1 1 19 LEU CA C -10.641 -1.104 -0.410 1.00 . A X . 19 LEU CA 1 1 8 3320 1 1 19 LEU CB C -9.948 -2.177 0.430 1.00 . A X . 19 LEU CB 1 1 8 3321 1 1 19 LEU CD1 C -11.634 -4.000 0.067 1.00 . A X . 19 LEU CD1 1 1 8 3322 1 1 19 LEU CD2 C -10.104 -4.088 2.042 1.00 . A X . 19 LEU CD2 1 1 8 3323 1 1 19 LEU CG C -10.883 -3.180 1.106 1.00 . A X . 19 LEU CG 1 1 8 3324 1 1 19 LEU H H -8.820 -0.039 -0.551 1.00 . A X . 19 LEU H 1 1 8 3325 1 1 19 LEU HA H -11.200 -1.583 -1.201 1.00 . A X . 19 LEU HA 1 1 8 3326 1 1 19 LEU HB2 H -9.269 -2.724 -0.210 1.00 . A X . 19 LEU HB2 1 1 8 3327 1 1 19 LEU HB3 H -9.370 -1.685 1.198 1.00 . A X . 19 LEU HB3 1 1 8 3328 1 1 19 LEU HD11 H -12.299 -4.689 0.565 1.00 . A X . 19 LEU HD11 1 1 8 3329 1 1 19 LEU HD12 H -10.927 -4.553 -0.534 1.00 . A X . 19 LEU HD12 1 1 8 3330 1 1 19 LEU HD13 H -12.207 -3.340 -0.568 1.00 . A X . 19 LEU HD13 1 1 8 3331 1 1 19 LEU HD21 H -10.784 -4.769 2.531 1.00 . A X . 19 LEU HD21 1 1 8 3332 1 1 19 LEU HD22 H -9.597 -3.491 2.786 1.00 . A X . 19 LEU HD22 1 1 8 3333 1 1 19 LEU HD23 H -9.377 -4.651 1.475 1.00 . A X . 19 LEU HD23 1 1 8 3334 1 1 19 LEU HG H -11.612 -2.640 1.694 1.00 . A X . 19 LEU HG 1 1 8 3335 1 1 19 LEU N N -9.659 -0.230 -1.024 1.00 . A X . 19 LEU N 1 1 8 3336 1 1 19 LEU O O -12.810 -0.291 0.219 1.00 . A X . 19 LEU O 1 1 8 3337 1 1 20 LYS C C -12.247 2.473 2.074 1.00 . A X . 20 LYS C 1 1 8 3338 1 1 20 LYS CA C -11.867 1.048 2.456 1.00 . A X . 20 LYS CA 1 1 8 3339 1 1 20 LYS CB C -11.142 1.024 3.804 1.00 . A X . 20 LYS CB 1 1 8 3340 1 1 20 LYS CD C -12.239 -1.107 4.557 1.00 . A X . 20 LYS CD 1 1 8 3341 1 1 20 LYS CE C -12.032 -2.553 4.979 1.00 . A X . 20 LYS CE 1 1 8 3342 1 1 20 LYS CG C -10.921 -0.381 4.348 1.00 . A X . 20 LYS CG 1 1 8 3343 1 1 20 LYS H H -10.075 0.518 1.447 1.00 . A X . 20 LYS H 1 1 8 3344 1 1 20 LYS HA H -12.775 0.472 2.547 1.00 . A X . 20 LYS HA 1 1 8 3345 1 1 20 LYS HB2 H -10.180 1.502 3.692 1.00 . A X . 20 LYS HB2 1 1 8 3346 1 1 20 LYS HB3 H -11.728 1.577 4.524 1.00 . A X . 20 LYS HB3 1 1 8 3347 1 1 20 LYS HD2 H -12.800 -0.598 5.326 1.00 . A X . 20 LYS HD2 1 1 8 3348 1 1 20 LYS HD3 H -12.797 -1.089 3.632 1.00 . A X . 20 LYS HD3 1 1 8 3349 1 1 20 LYS HE2 H -12.996 -3.032 5.047 1.00 . A X . 20 LYS HE2 1 1 8 3350 1 1 20 LYS HE3 H -11.438 -3.051 4.229 1.00 . A X . 20 LYS HE3 1 1 8 3351 1 1 20 LYS HG2 H -10.319 -0.941 3.647 1.00 . A X . 20 LYS HG2 1 1 8 3352 1 1 20 LYS HG3 H -10.404 -0.312 5.294 1.00 . A X . 20 LYS HG3 1 1 8 3353 1 1 20 LYS HZ1 H -10.373 -2.296 6.231 1.00 . A X . 20 LYS HZ1 1 1 8 3354 1 1 20 LYS HZ2 H -11.304 -3.669 6.586 1.00 . A X . 20 LYS HZ2 1 1 8 3355 1 1 20 LYS HZ3 H -11.867 -2.129 7.018 1.00 . A X . 20 LYS HZ3 1 1 8 3356 1 1 20 LYS N N -11.051 0.408 1.428 1.00 . A X . 20 LYS N 1 1 8 3357 1 1 20 LYS NZ N -11.347 -2.668 6.294 1.00 . A X . 20 LYS NZ 1 1 8 3358 1 1 20 LYS O O -12.941 3.159 2.819 1.00 . A X . 20 LYS O 1 1 8 3359 1 1 21 LEU C C -13.276 3.995 -0.672 1.00 . A X . 21 LEU C 1 1 8 3360 1 1 21 LEU CA C -12.200 4.208 0.387 1.00 . A X . 21 LEU CA 1 1 8 3361 1 1 21 LEU CB C -11.000 4.962 -0.197 1.00 . A X . 21 LEU CB 1 1 8 3362 1 1 21 LEU CD1 C -11.654 7.247 0.603 1.00 . A X . 21 LEU CD1 1 1 8 3363 1 1 21 LEU CD2 C -10.034 7.004 -1.285 1.00 . A X . 21 LEU CD2 1 1 8 3364 1 1 21 LEU CG C -11.262 6.414 -0.607 1.00 . A X . 21 LEU CG 1 1 8 3365 1 1 21 LEU H H -11.155 2.369 0.408 1.00 . A X . 21 LEU H 1 1 8 3366 1 1 21 LEU HA H -12.620 4.779 1.202 1.00 . A X . 21 LEU HA 1 1 8 3367 1 1 21 LEU HB2 H -10.210 4.959 0.539 1.00 . A X . 21 LEU HB2 1 1 8 3368 1 1 21 LEU HB3 H -10.658 4.424 -1.068 1.00 . A X . 21 LEU HB3 1 1 8 3369 1 1 21 LEU HD11 H -11.812 8.271 0.299 1.00 . A X . 21 LEU HD11 1 1 8 3370 1 1 21 LEU HD12 H -10.864 7.207 1.338 1.00 . A X . 21 LEU HD12 1 1 8 3371 1 1 21 LEU HD13 H -12.564 6.854 1.030 1.00 . A X . 21 LEU HD13 1 1 8 3372 1 1 21 LEU HD21 H -10.246 8.016 -1.597 1.00 . A X . 21 LEU HD21 1 1 8 3373 1 1 21 LEU HD22 H -9.775 6.407 -2.147 1.00 . A X . 21 LEU HD22 1 1 8 3374 1 1 21 LEU HD23 H -9.207 7.009 -0.589 1.00 . A X . 21 LEU HD23 1 1 8 3375 1 1 21 LEU HG H -12.081 6.441 -1.311 1.00 . A X . 21 LEU HG 1 1 8 3376 1 1 21 LEU N N -11.787 2.916 0.915 1.00 . A X . 21 LEU N 1 1 8 3377 1 1 21 LEU O O -13.652 4.910 -1.404 1.00 . A X . 21 LEU O 1 1 8 3378 1 1 22 LYS C C -15.991 1.799 -0.896 1.00 . A X . 22 LYS C 1 1 8 3379 1 1 22 LYS CA C -14.835 2.415 -1.670 1.00 . A X . 22 LYS CA 1 1 8 3380 1 1 22 LYS CB C -14.329 1.439 -2.737 1.00 . A X . 22 LYS CB 1 1 8 3381 1 1 22 LYS CD C -14.830 0.129 -4.844 1.00 . A X . 22 LYS CD 1 1 8 3382 1 1 22 LYS CE C -13.859 0.779 -5.827 1.00 . A X . 22 LYS CE 1 1 8 3383 1 1 22 LYS CG C -15.363 1.108 -3.802 1.00 . A X . 22 LYS CG 1 1 8 3384 1 1 22 LYS H H -13.397 2.072 -0.161 1.00 . A X . 22 LYS H 1 1 8 3385 1 1 22 LYS HA H -15.175 3.320 -2.149 1.00 . A X . 22 LYS HA 1 1 8 3386 1 1 22 LYS HB2 H -13.469 1.872 -3.224 1.00 . A X . 22 LYS HB2 1 1 8 3387 1 1 22 LYS HB3 H -14.033 0.518 -2.254 1.00 . A X . 22 LYS HB3 1 1 8 3388 1 1 22 LYS HD2 H -14.317 -0.671 -4.335 1.00 . A X . 22 LYS HD2 1 1 8 3389 1 1 22 LYS HD3 H -15.666 -0.275 -5.396 1.00 . A X . 22 LYS HD3 1 1 8 3390 1 1 22 LYS HE2 H -13.692 0.096 -6.645 1.00 . A X . 22 LYS HE2 1 1 8 3391 1 1 22 LYS HE3 H -14.309 1.685 -6.207 1.00 . A X . 22 LYS HE3 1 1 8 3392 1 1 22 LYS HG2 H -16.225 0.667 -3.325 1.00 . A X . 22 LYS HG2 1 1 8 3393 1 1 22 LYS HG3 H -15.655 2.022 -4.297 1.00 . A X . 22 LYS HG3 1 1 8 3394 1 1 22 LYS HZ1 H -11.875 1.419 -5.947 1.00 . A X . 22 LYS HZ1 1 1 8 3395 1 1 22 LYS HZ2 H -12.153 0.282 -4.728 1.00 . A X . 22 LYS HZ2 1 1 8 3396 1 1 22 LYS HZ3 H -12.655 1.888 -4.520 1.00 . A X . 22 LYS HZ3 1 1 8 3397 1 1 22 LYS N N -13.764 2.765 -0.750 1.00 . A X . 22 LYS N 1 1 8 3398 1 1 22 LYS NZ N -12.545 1.114 -5.211 1.00 . A X . 22 LYS NZ 1 1 8 3399 1 1 22 LYS O O -17.129 2.260 -0.980 1.00 . A X . 22 LYS O 1 1 8 3400 1 1 23 LYS C C -16.092 -0.146 2.088 1.00 . A X . 23 LYS C 1 1 8 3401 1 1 23 LYS CA C -16.671 0.106 0.707 1.00 . A X . 23 LYS CA 1 1 8 3402 1 1 23 LYS CB C -17.134 -1.222 0.098 1.00 . A X . 23 LYS CB 1 1 8 3403 1 1 23 LYS CD C -18.408 -2.410 -1.709 1.00 . A X . 23 LYS CD 1 1 8 3404 1 1 23 LYS CE C -19.477 -2.923 -0.757 1.00 . A X . 23 LYS CE 1 1 8 3405 1 1 23 LYS CG C -17.839 -1.080 -1.241 1.00 . A X . 23 LYS CG 1 1 8 3406 1 1 23 LYS H H -14.766 0.420 -0.129 1.00 . A X . 23 LYS H 1 1 8 3407 1 1 23 LYS HA H -17.516 0.768 0.797 1.00 . A X . 23 LYS HA 1 1 8 3408 1 1 23 LYS HB2 H -16.275 -1.861 -0.039 1.00 . A X . 23 LYS HB2 1 1 8 3409 1 1 23 LYS HB3 H -17.816 -1.697 0.788 1.00 . A X . 23 LYS HB3 1 1 8 3410 1 1 23 LYS HD2 H -18.845 -2.277 -2.687 1.00 . A X . 23 LYS HD2 1 1 8 3411 1 1 23 LYS HD3 H -17.607 -3.135 -1.766 1.00 . A X . 23 LYS HD3 1 1 8 3412 1 1 23 LYS HE2 H -19.044 -3.033 0.226 1.00 . A X . 23 LYS HE2 1 1 8 3413 1 1 23 LYS HE3 H -20.280 -2.202 -0.716 1.00 . A X . 23 LYS HE3 1 1 8 3414 1 1 23 LYS HG2 H -18.647 -0.371 -1.140 1.00 . A X . 23 LYS HG2 1 1 8 3415 1 1 23 LYS HG3 H -17.131 -0.722 -1.974 1.00 . A X . 23 LYS HG3 1 1 8 3416 1 1 23 LYS HZ1 H -20.359 -4.178 -2.176 1.00 . A X . 23 LYS HZ1 1 1 8 3417 1 1 23 LYS HZ2 H -20.831 -4.501 -0.580 1.00 . A X . 23 LYS HZ2 1 1 8 3418 1 1 23 LYS HZ3 H -19.299 -4.975 -1.117 1.00 . A X . 23 LYS HZ3 1 1 8 3419 1 1 23 LYS N N -15.685 0.756 -0.135 1.00 . A X . 23 LYS N 1 1 8 3420 1 1 23 LYS NZ N -20.028 -4.234 -1.187 1.00 . A X . 23 LYS NZ 1 1 8 3421 1 1 23 LYS O O -14.911 0.110 2.328 1.00 . A X . 23 LYS O 1 1 8 3422 1 1 24 ALA C C -17.420 -2.001 4.951 1.00 . A X . 24 ALA C 1 1 8 3423 1 1 24 ALA CA C -16.490 -0.967 4.335 1.00 . A X . 24 ALA CA 1 1 8 3424 1 1 24 ALA CB C -16.438 0.288 5.191 1.00 . A X . 24 ALA CB 1 1 8 3425 1 1 24 ALA H H -17.854 -0.822 2.734 1.00 . A X . 24 ALA H 1 1 8 3426 1 1 24 ALA HA H -15.494 -1.380 4.278 1.00 . A X . 24 ALA HA 1 1 8 3427 1 1 24 ALA HB1 H -17.430 0.707 5.276 1.00 . A X . 24 ALA HB1 1 1 8 3428 1 1 24 ALA HB2 H -15.780 1.009 4.732 1.00 . A X . 24 ALA HB2 1 1 8 3429 1 1 24 ALA HB3 H -16.068 0.037 6.175 1.00 . A X . 24 ALA HB3 1 1 8 3430 1 1 24 ALA N N -16.922 -0.650 2.986 1.00 . A X . 24 ALA N 1 1 8 3431 1 1 24 ALA O O -17.102 -3.206 4.872 1.00 . A X . 24 ALA O 1 1 8 3432 1 1 24 ALA OXT O -18.477 -1.612 5.485 1.00 . A X . 24 ALA OXT 1 1 9 3433 1 1 1 LYS C C 3.742 -0.176 -14.413 1.00 . A X . 1 LYS C 1 1 9 3434 1 1 1 LYS CA C 5.103 0.184 -15.006 1.00 . A X . 1 LYS CA 1 1 9 3435 1 1 1 LYS CB C 5.657 1.423 -14.291 1.00 . A X . 1 LYS CB 1 1 9 3436 1 1 1 LYS CD C 7.520 3.117 -14.095 1.00 . A X . 1 LYS CD 1 1 9 3437 1 1 1 LYS CE C 7.949 2.749 -12.688 1.00 . A X . 1 LYS CE 1 1 9 3438 1 1 1 LYS CG C 6.988 1.908 -14.849 1.00 . A X . 1 LYS CG 1 1 9 3439 1 1 1 LYS H1 H 5.923 0.733 -16.843 1.00 . A X . 1 LYS H1 1 1 9 3440 1 1 1 LYS H2 H 4.303 1.177 -16.659 1.00 . A X . 1 LYS H2 1 1 9 3441 1 1 1 LYS H3 H 4.711 -0.442 -16.959 1.00 . A X . 1 LYS H3 1 1 9 3442 1 1 1 LYS HA H 5.779 -0.646 -14.849 1.00 . A X . 1 LYS HA 1 1 9 3443 1 1 1 LYS HB2 H 4.941 2.225 -14.379 1.00 . A X . 1 LYS HB2 1 1 9 3444 1 1 1 LYS HB3 H 5.795 1.189 -13.247 1.00 . A X . 1 LYS HB3 1 1 9 3445 1 1 1 LYS HD2 H 8.374 3.515 -14.625 1.00 . A X . 1 LYS HD2 1 1 9 3446 1 1 1 LYS HD3 H 6.744 3.869 -14.040 1.00 . A X . 1 LYS HD3 1 1 9 3447 1 1 1 LYS HE2 H 7.082 2.411 -12.138 1.00 . A X . 1 LYS HE2 1 1 9 3448 1 1 1 LYS HE3 H 8.673 1.949 -12.745 1.00 . A X . 1 LYS HE3 1 1 9 3449 1 1 1 LYS HG2 H 7.709 1.106 -14.771 1.00 . A X . 1 LYS HG2 1 1 9 3450 1 1 1 LYS HG3 H 6.855 2.172 -15.888 1.00 . A X . 1 LYS HG3 1 1 9 3451 1 1 1 LYS HZ1 H 9.324 4.316 -12.543 1.00 . A X . 1 LYS HZ1 1 1 9 3452 1 1 1 LYS HZ2 H 8.953 3.580 -11.061 1.00 . A X . 1 LYS HZ2 1 1 9 3453 1 1 1 LYS HZ3 H 7.837 4.630 -11.784 1.00 . A X . 1 LYS HZ3 1 1 9 3454 1 1 1 LYS N N 5.004 0.432 -16.465 1.00 . A X . 1 LYS N 1 1 9 3455 1 1 1 LYS NZ N 8.557 3.899 -11.973 1.00 . A X . 1 LYS NZ 1 1 9 3456 1 1 1 LYS O O 3.637 -1.055 -13.554 1.00 . A X . 1 LYS O 1 1 9 3457 1 1 2 LYS C C 0.599 -0.809 -14.969 1.00 . A X . 2 LYS C 1 1 9 3458 1 1 2 LYS CA C 1.363 0.335 -14.305 1.00 . A X . 2 LYS CA 1 1 9 3459 1 1 2 LYS CB C 0.559 1.636 -14.436 1.00 . A X . 2 LYS CB 1 1 9 3460 1 1 2 LYS CD C 0.343 4.085 -13.879 1.00 . A X . 2 LYS CD 1 1 9 3461 1 1 2 LYS CE C 0.181 4.498 -15.334 1.00 . A X . 2 LYS CE 1 1 9 3462 1 1 2 LYS CG C 1.197 2.831 -13.741 1.00 . A X . 2 LYS CG 1 1 9 3463 1 1 2 LYS H H 2.821 1.130 -15.624 1.00 . A X . 2 LYS H 1 1 9 3464 1 1 2 LYS HA H 1.480 0.105 -13.258 1.00 . A X . 2 LYS HA 1 1 9 3465 1 1 2 LYS HB2 H 0.452 1.878 -15.484 1.00 . A X . 2 LYS HB2 1 1 9 3466 1 1 2 LYS HB3 H -0.423 1.483 -14.011 1.00 . A X . 2 LYS HB3 1 1 9 3467 1 1 2 LYS HD2 H -0.634 3.892 -13.463 1.00 . A X . 2 LYS HD2 1 1 9 3468 1 1 2 LYS HD3 H 0.814 4.892 -13.338 1.00 . A X . 2 LYS HD3 1 1 9 3469 1 1 2 LYS HE2 H 1.159 4.679 -15.757 1.00 . A X . 2 LYS HE2 1 1 9 3470 1 1 2 LYS HE3 H -0.298 3.694 -15.872 1.00 . A X . 2 LYS HE3 1 1 9 3471 1 1 2 LYS HG2 H 1.319 2.605 -12.691 1.00 . A X . 2 LYS HG2 1 1 9 3472 1 1 2 LYS HG3 H 2.165 3.016 -14.183 1.00 . A X . 2 LYS HG3 1 1 9 3473 1 1 2 LYS HZ1 H -0.212 6.512 -14.930 1.00 . A X . 2 LYS HZ1 1 1 9 3474 1 1 2 LYS HZ2 H -1.606 5.558 -15.112 1.00 . A X . 2 LYS HZ2 1 1 9 3475 1 1 2 LYS HZ3 H -0.705 6.009 -16.473 1.00 . A X . 2 LYS HZ3 1 1 9 3476 1 1 2 LYS N N 2.697 0.500 -14.876 1.00 . A X . 2 LYS N 1 1 9 3477 1 1 2 LYS NZ N -0.642 5.729 -15.470 1.00 . A X . 2 LYS NZ 1 1 9 3478 1 1 2 LYS O O -0.517 -0.621 -15.442 1.00 . A X . 2 LYS O 1 1 9 3479 1 1 3 LEU C C 0.459 -4.251 -14.452 1.00 . A X . 3 LEU C 1 1 9 3480 1 1 3 LEU CA C 0.524 -3.170 -15.521 1.00 . A X . 3 LEU CA 1 1 9 3481 1 1 3 LEU CB C 1.230 -3.710 -16.767 1.00 . A X . 3 LEU CB 1 1 9 3482 1 1 3 LEU CD1 C 1.888 -3.471 -19.170 1.00 . A X . 3 LEU CD1 1 1 9 3483 1 1 3 LEU CD2 C -0.257 -2.471 -18.363 1.00 . A X . 3 LEU CD2 1 1 9 3484 1 1 3 LEU CG C 1.182 -2.803 -17.999 1.00 . A X . 3 LEU CG 1 1 9 3485 1 1 3 LEU H H 2.125 -2.069 -14.674 1.00 . A X . 3 LEU H 1 1 9 3486 1 1 3 LEU HA H -0.484 -2.883 -15.784 1.00 . A X . 3 LEU HA 1 1 9 3487 1 1 3 LEU HB2 H 2.267 -3.881 -16.516 1.00 . A X . 3 LEU HB2 1 1 9 3488 1 1 3 LEU HB3 H 0.779 -4.656 -17.028 1.00 . A X . 3 LEU HB3 1 1 9 3489 1 1 3 LEU HD11 H 1.384 -4.395 -19.416 1.00 . A X . 3 LEU HD11 1 1 9 3490 1 1 3 LEU HD12 H 2.912 -3.682 -18.900 1.00 . A X . 3 LEU HD12 1 1 9 3491 1 1 3 LEU HD13 H 1.871 -2.813 -20.025 1.00 . A X . 3 LEU HD13 1 1 9 3492 1 1 3 LEU HD21 H -0.799 -3.382 -18.573 1.00 . A X . 3 LEU HD21 1 1 9 3493 1 1 3 LEU HD22 H -0.269 -1.836 -19.237 1.00 . A X . 3 LEU HD22 1 1 9 3494 1 1 3 LEU HD23 H -0.727 -1.955 -17.539 1.00 . A X . 3 LEU HD23 1 1 9 3495 1 1 3 LEU HG H 1.697 -1.878 -17.780 1.00 . A X . 3 LEU HG 1 1 9 3496 1 1 3 LEU N N 1.204 -1.989 -15.004 1.00 . A X . 3 LEU N 1 1 9 3497 1 1 3 LEU O O -0.615 -4.576 -13.946 1.00 . A X . 3 LEU O 1 1 9 3498 1 1 4 LYS C C 2.625 -5.455 -11.958 1.00 . A X . 4 LYS C 1 1 9 3499 1 1 4 LYS CA C 1.674 -5.837 -13.085 1.00 . A X . 4 LYS CA 1 1 9 3500 1 1 4 LYS CB C 2.048 -7.190 -13.708 1.00 . A X . 4 LYS CB 1 1 9 3501 1 1 4 LYS CD C 3.248 -8.381 -15.563 1.00 . A X . 4 LYS CD 1 1 9 3502 1 1 4 LYS CE C 4.337 -8.307 -16.624 1.00 . A X . 4 LYS CE 1 1 9 3503 1 1 4 LYS CG C 3.214 -7.137 -14.682 1.00 . A X . 4 LYS CG 1 1 9 3504 1 1 4 LYS H H 2.443 -4.504 -14.545 1.00 . A X . 4 LYS H 1 1 9 3505 1 1 4 LYS HA H 0.684 -5.921 -12.666 1.00 . A X . 4 LYS HA 1 1 9 3506 1 1 4 LYS HB2 H 2.305 -7.876 -12.915 1.00 . A X . 4 LYS HB2 1 1 9 3507 1 1 4 LYS HB3 H 1.188 -7.576 -14.236 1.00 . A X . 4 LYS HB3 1 1 9 3508 1 1 4 LYS HD2 H 3.432 -9.245 -14.940 1.00 . A X . 4 LYS HD2 1 1 9 3509 1 1 4 LYS HD3 H 2.291 -8.488 -16.051 1.00 . A X . 4 LYS HD3 1 1 9 3510 1 1 4 LYS HE2 H 4.111 -9.019 -17.402 1.00 . A X . 4 LYS HE2 1 1 9 3511 1 1 4 LYS HE3 H 4.346 -7.311 -17.044 1.00 . A X . 4 LYS HE3 1 1 9 3512 1 1 4 LYS HG2 H 3.112 -6.262 -15.306 1.00 . A X . 4 LYS HG2 1 1 9 3513 1 1 4 LYS HG3 H 4.135 -7.077 -14.122 1.00 . A X . 4 LYS HG3 1 1 9 3514 1 1 4 LYS HZ1 H 5.734 -9.617 -15.797 1.00 . A X . 4 LYS HZ1 1 1 9 3515 1 1 4 LYS HZ2 H 5.867 -8.027 -15.231 1.00 . A X . 4 LYS HZ2 1 1 9 3516 1 1 4 LYS HZ3 H 6.415 -8.421 -16.790 1.00 . A X . 4 LYS HZ3 1 1 9 3517 1 1 4 LYS N N 1.613 -4.800 -14.103 1.00 . A X . 4 LYS N 1 1 9 3518 1 1 4 LYS NZ N 5.679 -8.613 -16.072 1.00 . A X . 4 LYS NZ 1 1 9 3519 1 1 4 LYS O O 2.673 -6.121 -10.926 1.00 . A X . 4 LYS O 1 1 9 3520 1 1 5 LEU C C 3.370 -3.013 -10.114 1.00 . A X . 5 LEU C 1 1 9 3521 1 1 5 LEU CA C 4.203 -3.857 -11.065 1.00 . A X . 5 LEU CA 1 1 9 3522 1 1 5 LEU CB C 5.364 -3.030 -11.613 1.00 . A X . 5 LEU CB 1 1 9 3523 1 1 5 LEU CD1 C 7.542 -2.899 -12.844 1.00 . A X . 5 LEU CD1 1 1 9 3524 1 1 5 LEU CD2 C 7.016 -4.892 -11.442 1.00 . A X . 5 LEU CD2 1 1 9 3525 1 1 5 LEU CG C 6.441 -3.823 -12.349 1.00 . A X . 5 LEU CG 1 1 9 3526 1 1 5 LEU H H 3.378 -3.932 -13.016 1.00 . A X . 5 LEU H 1 1 9 3527 1 1 5 LEU HA H 4.596 -4.701 -10.519 1.00 . A X . 5 LEU HA 1 1 9 3528 1 1 5 LEU HB2 H 4.960 -2.293 -12.291 1.00 . A X . 5 LEU HB2 1 1 9 3529 1 1 5 LEU HB3 H 5.829 -2.517 -10.785 1.00 . A X . 5 LEU HB3 1 1 9 3530 1 1 5 LEU HD11 H 7.120 -2.158 -13.506 1.00 . A X . 5 LEU HD11 1 1 9 3531 1 1 5 LEU HD12 H 8.283 -3.477 -13.378 1.00 . A X . 5 LEU HD12 1 1 9 3532 1 1 5 LEU HD13 H 8.005 -2.408 -12.002 1.00 . A X . 5 LEU HD13 1 1 9 3533 1 1 5 LEU HD21 H 6.225 -5.550 -11.113 1.00 . A X . 5 LEU HD21 1 1 9 3534 1 1 5 LEU HD22 H 7.475 -4.424 -10.584 1.00 . A X . 5 LEU HD22 1 1 9 3535 1 1 5 LEU HD23 H 7.758 -5.463 -11.981 1.00 . A X . 5 LEU HD23 1 1 9 3536 1 1 5 LEU HG H 5.999 -4.311 -13.206 1.00 . A X . 5 LEU HG 1 1 9 3537 1 1 5 LEU N N 3.373 -4.376 -12.141 1.00 . A X . 5 LEU N 1 1 9 3538 1 1 5 LEU O O 3.487 -3.133 -8.894 1.00 . A X . 5 LEU O 1 1 9 3539 1 1 6 ALA C C 0.423 -2.094 -9.379 1.00 . A X . 6 ALA C 1 1 9 3540 1 1 6 ALA CA C 1.643 -1.319 -9.874 1.00 . A X . 6 ALA CA 1 1 9 3541 1 1 6 ALA CB C 1.221 -0.105 -10.682 1.00 . A X . 6 ALA CB 1 1 9 3542 1 1 6 ALA H H 2.459 -2.123 -11.651 1.00 . A X . 6 ALA H 1 1 9 3543 1 1 6 ALA HA H 2.209 -0.975 -9.019 1.00 . A X . 6 ALA HA 1 1 9 3544 1 1 6 ALA HB1 H 0.638 -0.425 -11.535 1.00 . A X . 6 ALA HB1 1 1 9 3545 1 1 6 ALA HB2 H 2.098 0.423 -11.025 1.00 . A X . 6 ALA HB2 1 1 9 3546 1 1 6 ALA HB3 H 0.625 0.550 -10.063 1.00 . A X . 6 ALA HB3 1 1 9 3547 1 1 6 ALA N N 2.511 -2.173 -10.673 1.00 . A X . 6 ALA N 1 1 9 3548 1 1 6 ALA O O -0.695 -1.580 -9.361 1.00 . A X . 6 ALA O 1 1 9 3549 1 1 7 LEU C C 0.157 -5.087 -7.378 1.00 . A X . 7 LEU C 1 1 9 3550 1 1 7 LEU CA C -0.408 -4.189 -8.475 1.00 . A X . 7 LEU CA 1 1 9 3551 1 1 7 LEU CB C -1.006 -5.026 -9.616 1.00 . A X . 7 LEU CB 1 1 9 3552 1 1 7 LEU CD1 C -2.989 -6.092 -10.710 1.00 . A X . 7 LEU CD1 1 1 9 3553 1 1 7 LEU CD2 C -2.516 -6.577 -8.312 1.00 . A X . 7 LEU CD2 1 1 9 3554 1 1 7 LEU CG C -2.444 -5.525 -9.410 1.00 . A X . 7 LEU CG 1 1 9 3555 1 1 7 LEU H H 1.562 -3.699 -9.049 1.00 . A X . 7 LEU H 1 1 9 3556 1 1 7 LEU HA H -1.175 -3.559 -8.052 1.00 . A X . 7 LEU HA 1 1 9 3557 1 1 7 LEU HB2 H -0.984 -4.428 -10.515 1.00 . A X . 7 LEU HB2 1 1 9 3558 1 1 7 LEU HB3 H -0.371 -5.887 -9.765 1.00 . A X . 7 LEU HB3 1 1 9 3559 1 1 7 LEU HD11 H -2.364 -6.911 -11.034 1.00 . A X . 7 LEU HD11 1 1 9 3560 1 1 7 LEU HD12 H -2.991 -5.320 -11.465 1.00 . A X . 7 LEU HD12 1 1 9 3561 1 1 7 LEU HD13 H -3.997 -6.448 -10.555 1.00 . A X . 7 LEU HD13 1 1 9 3562 1 1 7 LEU HD21 H -3.544 -6.878 -8.171 1.00 . A X . 7 LEU HD21 1 1 9 3563 1 1 7 LEU HD22 H -2.130 -6.165 -7.392 1.00 . A X . 7 LEU HD22 1 1 9 3564 1 1 7 LEU HD23 H -1.927 -7.436 -8.598 1.00 . A X . 7 LEU HD23 1 1 9 3565 1 1 7 LEU HG H -3.070 -4.693 -9.123 1.00 . A X . 7 LEU HG 1 1 9 3566 1 1 7 LEU N N 0.650 -3.340 -8.988 1.00 . A X . 7 LEU N 1 1 9 3567 1 1 7 LEU O O 0.669 -6.171 -7.659 1.00 . A X . 7 LEU O 1 1 9 3568 1 1 8 ALA C C 2.072 -5.393 -4.848 1.00 . A X . 8 ALA C 1 1 9 3569 1 1 8 ALA CA C 0.550 -5.308 -4.940 1.00 . A X . 8 ALA CA 1 1 9 3570 1 1 8 ALA CB C -0.075 -6.701 -4.880 1.00 . A X . 8 ALA CB 1 1 9 3571 1 1 8 ALA H H -0.229 -3.672 -6.025 1.00 . A X . 8 ALA H 1 1 9 3572 1 1 8 ALA HA H 0.197 -4.754 -4.081 1.00 . A X . 8 ALA HA 1 1 9 3573 1 1 8 ALA HB1 H -1.152 -6.612 -4.891 1.00 . A X . 8 ALA HB1 1 1 9 3574 1 1 8 ALA HB2 H 0.235 -7.197 -3.972 1.00 . A X . 8 ALA HB2 1 1 9 3575 1 1 8 ALA HB3 H 0.247 -7.276 -5.734 1.00 . A X . 8 ALA HB3 1 1 9 3576 1 1 8 ALA N N 0.111 -4.579 -6.140 1.00 . A X . 8 ALA N 1 1 9 3577 1 1 8 ALA O O 2.640 -5.345 -3.758 1.00 . A X . 8 ALA O 1 1 9 3578 1 1 9 LYS C C 4.875 -4.353 -5.629 1.00 . A X . 9 LYS C 1 1 9 3579 1 1 9 LYS CA C 4.176 -5.650 -6.033 1.00 . A X . 9 LYS CA 1 1 9 3580 1 1 9 LYS CB C 4.623 -6.083 -7.431 1.00 . A X . 9 LYS CB 1 1 9 3581 1 1 9 LYS CD C 4.184 -8.538 -7.037 1.00 . A X . 9 LYS CD 1 1 9 3582 1 1 9 LYS CE C 3.391 -9.763 -7.473 1.00 . A X . 9 LYS CE 1 1 9 3583 1 1 9 LYS CG C 3.921 -7.339 -7.937 1.00 . A X . 9 LYS CG 1 1 9 3584 1 1 9 LYS H H 2.217 -5.493 -6.832 1.00 . A X . 9 LYS H 1 1 9 3585 1 1 9 LYS HA H 4.443 -6.419 -5.326 1.00 . A X . 9 LYS HA 1 1 9 3586 1 1 9 LYS HB2 H 4.422 -5.280 -8.125 1.00 . A X . 9 LYS HB2 1 1 9 3587 1 1 9 LYS HB3 H 5.686 -6.272 -7.411 1.00 . A X . 9 LYS HB3 1 1 9 3588 1 1 9 LYS HD2 H 5.237 -8.773 -7.072 1.00 . A X . 9 LYS HD2 1 1 9 3589 1 1 9 LYS HD3 H 3.906 -8.283 -6.025 1.00 . A X . 9 LYS HD3 1 1 9 3590 1 1 9 LYS HE2 H 3.553 -10.554 -6.756 1.00 . A X . 9 LYS HE2 1 1 9 3591 1 1 9 LYS HE3 H 2.342 -9.506 -7.493 1.00 . A X . 9 LYS HE3 1 1 9 3592 1 1 9 LYS HG2 H 2.857 -7.155 -7.973 1.00 . A X . 9 LYS HG2 1 1 9 3593 1 1 9 LYS HG3 H 4.281 -7.561 -8.933 1.00 . A X . 9 LYS HG3 1 1 9 3594 1 1 9 LYS HZ1 H 4.803 -10.521 -8.816 1.00 . A X . 9 LYS HZ1 1 1 9 3595 1 1 9 LYS HZ2 H 3.660 -9.493 -9.532 1.00 . A X . 9 LYS HZ2 1 1 9 3596 1 1 9 LYS HZ3 H 3.224 -11.069 -9.095 1.00 . A X . 9 LYS HZ3 1 1 9 3597 1 1 9 LYS N N 2.727 -5.500 -5.992 1.00 . A X . 9 LYS N 1 1 9 3598 1 1 9 LYS NZ N 3.797 -10.246 -8.823 1.00 . A X . 9 LYS NZ 1 1 9 3599 1 1 9 LYS O O 5.513 -4.279 -4.578 1.00 . A X . 9 LYS O 1 1 9 3600 1 1 10 LEU C C 4.283 -1.028 -5.754 1.00 . A X . 10 LEU C 1 1 9 3601 1 1 10 LEU CA C 5.347 -2.031 -6.177 1.00 . A X . 10 LEU CA 1 1 9 3602 1 1 10 LEU CB C 6.102 -1.509 -7.405 1.00 . A X . 10 LEU CB 1 1 9 3603 1 1 10 LEU CD1 C 8.014 -1.691 -9.013 1.00 . A X . 10 LEU CD1 1 1 9 3604 1 1 10 LEU CD2 C 8.338 -2.323 -6.615 1.00 . A X . 10 LEU CD2 1 1 9 3605 1 1 10 LEU CG C 7.360 -2.296 -7.781 1.00 . A X . 10 LEU CG 1 1 9 3606 1 1 10 LEU H H 4.233 -3.446 -7.291 1.00 . A X . 10 LEU H 1 1 9 3607 1 1 10 LEU HA H 6.045 -2.161 -5.365 1.00 . A X . 10 LEU HA 1 1 9 3608 1 1 10 LEU HB2 H 5.428 -1.523 -8.249 1.00 . A X . 10 LEU HB2 1 1 9 3609 1 1 10 LEU HB3 H 6.391 -0.487 -7.215 1.00 . A X . 10 LEU HB3 1 1 9 3610 1 1 10 LEU HD11 H 8.273 -0.662 -8.816 1.00 . A X . 10 LEU HD11 1 1 9 3611 1 1 10 LEU HD12 H 7.327 -1.737 -9.846 1.00 . A X . 10 LEU HD12 1 1 9 3612 1 1 10 LEU HD13 H 8.910 -2.246 -9.255 1.00 . A X . 10 LEU HD13 1 1 9 3613 1 1 10 LEU HD21 H 9.227 -2.863 -6.904 1.00 . A X . 10 LEU HD21 1 1 9 3614 1 1 10 LEU HD22 H 7.878 -2.812 -5.769 1.00 . A X . 10 LEU HD22 1 1 9 3615 1 1 10 LEU HD23 H 8.604 -1.311 -6.345 1.00 . A X . 10 LEU HD23 1 1 9 3616 1 1 10 LEU HG H 7.086 -3.315 -8.013 1.00 . A X . 10 LEU HG 1 1 9 3617 1 1 10 LEU N N 4.745 -3.328 -6.460 1.00 . A X . 10 LEU N 1 1 9 3618 1 1 10 LEU O O 4.518 0.181 -5.755 1.00 . A X . 10 LEU O 1 1 9 3619 1 1 11 ALA C C 1.165 -1.392 -3.901 1.00 . A X . 11 ALA C 1 1 9 3620 1 1 11 ALA CA C 2.014 -0.687 -4.955 1.00 . A X . 11 ALA CA 1 1 9 3621 1 1 11 ALA CB C 1.162 -0.272 -6.144 1.00 . A X . 11 ALA CB 1 1 9 3622 1 1 11 ALA H H 2.989 -2.508 -5.409 1.00 . A X . 11 ALA H 1 1 9 3623 1 1 11 ALA HA H 2.439 0.207 -4.518 1.00 . A X . 11 ALA HA 1 1 9 3624 1 1 11 ALA HB1 H 1.776 0.244 -6.868 1.00 . A X . 11 ALA HB1 1 1 9 3625 1 1 11 ALA HB2 H 0.370 0.382 -5.811 1.00 . A X . 11 ALA HB2 1 1 9 3626 1 1 11 ALA HB3 H 0.732 -1.153 -6.602 1.00 . A X . 11 ALA HB3 1 1 9 3627 1 1 11 ALA N N 3.113 -1.536 -5.393 1.00 . A X . 11 ALA N 1 1 9 3628 1 1 11 ALA O O -0.009 -1.681 -4.133 1.00 . A X . 11 ALA O 1 1 9 3629 1 1 12 PRO C C 0.281 -1.357 -0.757 1.00 . A X . 12 PRO C 1 1 9 3630 1 1 12 PRO CA C 1.044 -2.346 -1.633 1.00 . A X . 12 PRO CA 1 1 9 3631 1 1 12 PRO CB C 2.177 -3.013 -0.833 1.00 . A X . 12 PRO CB 1 1 9 3632 1 1 12 PRO CD C 3.124 -1.383 -2.338 1.00 . A X . 12 PRO CD 1 1 9 3633 1 1 12 PRO CG C 3.464 -2.546 -1.451 1.00 . A X . 12 PRO CG 1 1 9 3634 1 1 12 PRO HA H 0.364 -3.100 -2.001 1.00 . A X . 12 PRO HA 1 1 9 3635 1 1 12 PRO HB2 H 2.110 -2.714 0.204 1.00 . A X . 12 PRO HB2 1 1 9 3636 1 1 12 PRO HB3 H 2.079 -4.084 -0.905 1.00 . A X . 12 PRO HB3 1 1 9 3637 1 1 12 PRO HD2 H 3.186 -0.457 -1.788 1.00 . A X . 12 PRO HD2 1 1 9 3638 1 1 12 PRO HD3 H 3.770 -1.361 -3.202 1.00 . A X . 12 PRO HD3 1 1 9 3639 1 1 12 PRO HG2 H 4.149 -2.232 -0.676 1.00 . A X . 12 PRO HG2 1 1 9 3640 1 1 12 PRO HG3 H 3.901 -3.343 -2.033 1.00 . A X . 12 PRO HG3 1 1 9 3641 1 1 12 PRO N N 1.744 -1.677 -2.721 1.00 . A X . 12 PRO N 1 1 9 3642 1 1 12 PRO O O -0.120 -1.677 0.363 1.00 . A X . 12 PRO O 1 1 9 3643 1 1 13 LEU C C -2.114 0.777 -0.724 1.00 . A X . 13 LEU C 1 1 9 3644 1 1 13 LEU CA C -0.607 0.891 -0.535 1.00 . A X . 13 LEU CA 1 1 9 3645 1 1 13 LEU CB C -0.137 2.270 -0.996 1.00 . A X . 13 LEU CB 1 1 9 3646 1 1 13 LEU CD1 C 1.716 3.901 -1.411 1.00 . A X . 13 LEU CD1 1 1 9 3647 1 1 13 LEU CD2 C 1.801 2.405 0.592 1.00 . A X . 13 LEU CD2 1 1 9 3648 1 1 13 LEU CG C 1.365 2.528 -0.861 1.00 . A X . 13 LEU CG 1 1 9 3649 1 1 13 LEU H H 0.427 0.039 -2.171 1.00 . A X . 13 LEU H 1 1 9 3650 1 1 13 LEU HA H -0.374 0.770 0.511 1.00 . A X . 13 LEU HA 1 1 9 3651 1 1 13 LEU HB2 H -0.410 2.390 -2.034 1.00 . A X . 13 LEU HB2 1 1 9 3652 1 1 13 LEU HB3 H -0.659 3.017 -0.416 1.00 . A X . 13 LEU HB3 1 1 9 3653 1 1 13 LEU HD11 H 1.193 4.661 -0.847 1.00 . A X . 13 LEU HD11 1 1 9 3654 1 1 13 LEU HD12 H 1.422 3.958 -2.448 1.00 . A X . 13 LEU HD12 1 1 9 3655 1 1 13 LEU HD13 H 2.781 4.061 -1.327 1.00 . A X . 13 LEU HD13 1 1 9 3656 1 1 13 LEU HD21 H 2.861 2.599 0.667 1.00 . A X . 13 LEU HD21 1 1 9 3657 1 1 13 LEU HD22 H 1.592 1.406 0.947 1.00 . A X . 13 LEU HD22 1 1 9 3658 1 1 13 LEU HD23 H 1.260 3.121 1.193 1.00 . A X . 13 LEU HD23 1 1 9 3659 1 1 13 LEU HG H 1.904 1.790 -1.439 1.00 . A X . 13 LEU HG 1 1 9 3660 1 1 13 LEU N N 0.086 -0.152 -1.274 1.00 . A X . 13 LEU N 1 1 9 3661 1 1 13 LEU O O -2.886 0.972 0.215 1.00 . A X . 13 LEU O 1 1 9 3662 1 1 14 TRP C C -4.742 -0.574 -1.460 1.00 . A X . 14 TRP C 1 1 9 3663 1 1 14 TRP CA C -3.938 0.407 -2.310 1.00 . A X . 14 TRP CA 1 1 9 3664 1 1 14 TRP CB C -4.097 0.059 -3.791 1.00 . A X . 14 TRP CB 1 1 9 3665 1 1 14 TRP CD1 C -2.351 0.902 -5.461 1.00 . A X . 14 TRP CD1 1 1 9 3666 1 1 14 TRP CD2 C -3.943 2.395 -4.966 1.00 . A X . 14 TRP CD2 1 1 9 3667 1 1 14 TRP CE2 C -3.057 2.976 -5.890 1.00 . A X . 14 TRP CE2 1 1 9 3668 1 1 14 TRP CE3 C -5.028 3.144 -4.513 1.00 . A X . 14 TRP CE3 1 1 9 3669 1 1 14 TRP CG C -3.476 1.066 -4.708 1.00 . A X . 14 TRP CG 1 1 9 3670 1 1 14 TRP CH2 C -4.287 4.986 -5.903 1.00 . A X . 14 TRP CH2 1 1 9 3671 1 1 14 TRP CZ2 C -3.220 4.274 -6.369 1.00 . A X . 14 TRP CZ2 1 1 9 3672 1 1 14 TRP CZ3 C -5.186 4.437 -4.981 1.00 . A X . 14 TRP CZ3 1 1 9 3673 1 1 14 TRP H H -1.859 0.171 -2.610 1.00 . A X . 14 TRP H 1 1 9 3674 1 1 14 TRP HA H -4.327 1.403 -2.147 1.00 . A X . 14 TRP HA 1 1 9 3675 1 1 14 TRP HB2 H -3.631 -0.897 -3.982 1.00 . A X . 14 TRP HB2 1 1 9 3676 1 1 14 TRP HB3 H -5.146 -0.003 -4.028 1.00 . A X . 14 TRP HB3 1 1 9 3677 1 1 14 TRP HD1 H -1.758 -0.001 -5.481 1.00 . A X . 14 TRP HD1 1 1 9 3678 1 1 14 TRP HE1 H -1.339 2.174 -6.795 1.00 . A X . 14 TRP HE1 1 1 9 3679 1 1 14 TRP HE3 H -5.730 2.736 -3.801 1.00 . A X . 14 TRP HE3 1 1 9 3680 1 1 14 TRP HH2 H -4.452 5.997 -6.243 1.00 . A X . 14 TRP HH2 1 1 9 3681 1 1 14 TRP HZ2 H -2.532 4.714 -7.078 1.00 . A X . 14 TRP HZ2 1 1 9 3682 1 1 14 TRP HZ3 H -6.018 5.032 -4.640 1.00 . A X . 14 TRP HZ3 1 1 9 3683 1 1 14 TRP N N -2.524 0.425 -1.940 1.00 . A X . 14 TRP N 1 1 9 3684 1 1 14 TRP NE1 N -2.092 2.045 -6.177 1.00 . A X . 14 TRP NE1 1 1 9 3685 1 1 14 TRP O O -5.937 -0.372 -1.243 1.00 . A X . 14 TRP O 1 1 9 3686 1 1 15 LYS C C -5.268 -2.104 1.163 1.00 . A X . 15 LYS C 1 1 9 3687 1 1 15 LYS CA C -4.757 -2.647 -0.170 1.00 . A X . 15 LYS CA 1 1 9 3688 1 1 15 LYS CB C -3.830 -3.839 0.072 1.00 . A X . 15 LYS CB 1 1 9 3689 1 1 15 LYS CD C -1.797 -4.754 1.226 1.00 . A X . 15 LYS CD 1 1 9 3690 1 1 15 LYS CE C -0.536 -4.427 2.005 1.00 . A X . 15 LYS CE 1 1 9 3691 1 1 15 LYS CG C -2.595 -3.504 0.891 1.00 . A X . 15 LYS CG 1 1 9 3692 1 1 15 LYS H H -3.112 -1.676 -1.092 1.00 . A X . 15 LYS H 1 1 9 3693 1 1 15 LYS HA H -5.606 -2.980 -0.748 1.00 . A X . 15 LYS HA 1 1 9 3694 1 1 15 LYS HB2 H -4.383 -4.606 0.593 1.00 . A X . 15 LYS HB2 1 1 9 3695 1 1 15 LYS HB3 H -3.507 -4.225 -0.882 1.00 . A X . 15 LYS HB3 1 1 9 3696 1 1 15 LYS HD2 H -2.411 -5.412 1.819 1.00 . A X . 15 LYS HD2 1 1 9 3697 1 1 15 LYS HD3 H -1.521 -5.249 0.304 1.00 . A X . 15 LYS HD3 1 1 9 3698 1 1 15 LYS HE2 H 0.102 -3.812 1.390 1.00 . A X . 15 LYS HE2 1 1 9 3699 1 1 15 LYS HE3 H -0.808 -3.885 2.900 1.00 . A X . 15 LYS HE3 1 1 9 3700 1 1 15 LYS HG2 H -1.969 -2.833 0.322 1.00 . A X . 15 LYS HG2 1 1 9 3701 1 1 15 LYS HG3 H -2.901 -3.025 1.810 1.00 . A X . 15 LYS HG3 1 1 9 3702 1 1 15 LYS HZ1 H 1.093 -5.411 2.874 1.00 . A X . 15 LYS HZ1 1 1 9 3703 1 1 15 LYS HZ2 H 0.428 -6.218 1.541 1.00 . A X . 15 LYS HZ2 1 1 9 3704 1 1 15 LYS HZ3 H -0.383 -6.235 3.033 1.00 . A X . 15 LYS HZ3 1 1 9 3705 1 1 15 LYS N N -4.080 -1.609 -0.948 1.00 . A X . 15 LYS N 1 1 9 3706 1 1 15 LYS NZ N 0.202 -5.657 2.389 1.00 . A X . 15 LYS NZ 1 1 9 3707 1 1 15 LYS O O -5.999 -2.784 1.877 1.00 . A X . 15 LYS O 1 1 9 3708 1 1 16 ALA C C -5.616 1.252 2.418 1.00 . A X . 16 ALA C 1 1 9 3709 1 1 16 ALA CA C -5.382 -0.227 2.692 1.00 . A X . 16 ALA CA 1 1 9 3710 1 1 16 ALA CB C -4.428 -0.416 3.862 1.00 . A X . 16 ALA CB 1 1 9 3711 1 1 16 ALA H H -4.206 -0.423 0.947 1.00 . A X . 16 ALA H 1 1 9 3712 1 1 16 ALA HA H -6.327 -0.689 2.944 1.00 . A X . 16 ALA HA 1 1 9 3713 1 1 16 ALA HB1 H -4.297 -1.471 4.053 1.00 . A X . 16 ALA HB1 1 1 9 3714 1 1 16 ALA HB2 H -4.839 0.060 4.741 1.00 . A X . 16 ALA HB2 1 1 9 3715 1 1 16 ALA HB3 H -3.472 0.029 3.626 1.00 . A X . 16 ALA HB3 1 1 9 3716 1 1 16 ALA N N -4.870 -0.887 1.502 1.00 . A X . 16 ALA N 1 1 9 3717 1 1 16 ALA O O -5.666 2.072 3.334 1.00 . A X . 16 ALA O 1 1 9 3718 1 1 17 LEU C C -7.287 2.995 -0.113 1.00 . A X . 17 LEU C 1 1 9 3719 1 1 17 LEU CA C -6.019 2.947 0.727 1.00 . A X . 17 LEU CA 1 1 9 3720 1 1 17 LEU CB C -4.835 3.504 -0.069 1.00 . A X . 17 LEU CB 1 1 9 3721 1 1 17 LEU CD1 C -5.083 5.894 0.658 1.00 . A X . 17 LEU CD1 1 1 9 3722 1 1 17 LEU CD2 C -3.806 5.348 -1.414 1.00 . A X . 17 LEU CD2 1 1 9 3723 1 1 17 LEU CG C -4.978 4.954 -0.531 1.00 . A X . 17 LEU CG 1 1 9 3724 1 1 17 LEU H H -5.654 0.883 0.464 1.00 . A X . 17 LEU H 1 1 9 3725 1 1 17 LEU HA H -6.163 3.546 1.613 1.00 . A X . 17 LEU HA 1 1 9 3726 1 1 17 LEU HB2 H -3.950 3.430 0.545 1.00 . A X . 17 LEU HB2 1 1 9 3727 1 1 17 LEU HB3 H -4.695 2.886 -0.944 1.00 . A X . 17 LEU HB3 1 1 9 3728 1 1 17 LEU HD11 H -5.174 6.910 0.305 1.00 . A X . 17 LEU HD11 1 1 9 3729 1 1 17 LEU HD12 H -4.195 5.803 1.269 1.00 . A X . 17 LEU HD12 1 1 9 3730 1 1 17 LEU HD13 H -5.952 5.636 1.245 1.00 . A X . 17 LEU HD13 1 1 9 3731 1 1 17 LEU HD21 H -2.886 5.249 -0.857 1.00 . A X . 17 LEU HD21 1 1 9 3732 1 1 17 LEU HD22 H -3.925 6.375 -1.731 1.00 . A X . 17 LEU HD22 1 1 9 3733 1 1 17 LEU HD23 H -3.775 4.706 -2.281 1.00 . A X . 17 LEU HD23 1 1 9 3734 1 1 17 LEU HG H -5.883 5.051 -1.115 1.00 . A X . 17 LEU HG 1 1 9 3735 1 1 17 LEU N N -5.748 1.580 1.144 1.00 . A X . 17 LEU N 1 1 9 3736 1 1 17 LEU O O -8.086 3.925 -0.001 1.00 . A X . 17 LEU O 1 1 9 3737 1 1 18 ALA C C -9.605 0.831 -1.322 1.00 . A X . 18 ALA C 1 1 9 3738 1 1 18 ALA CA C -8.636 1.904 -1.808 1.00 . A X . 18 ALA CA 1 1 9 3739 1 1 18 ALA CB C -8.221 1.628 -3.245 1.00 . A X . 18 ALA CB 1 1 9 3740 1 1 18 ALA H H -6.801 1.264 -0.987 1.00 . A X . 18 ALA H 1 1 9 3741 1 1 18 ALA HA H -9.135 2.864 -1.779 1.00 . A X . 18 ALA HA 1 1 9 3742 1 1 18 ALA HB1 H -9.091 1.662 -3.885 1.00 . A X . 18 ALA HB1 1 1 9 3743 1 1 18 ALA HB2 H -7.768 0.650 -3.308 1.00 . A X . 18 ALA HB2 1 1 9 3744 1 1 18 ALA HB3 H -7.510 2.375 -3.563 1.00 . A X . 18 ALA HB3 1 1 9 3745 1 1 18 ALA N N -7.470 1.980 -0.947 1.00 . A X . 18 ALA N 1 1 9 3746 1 1 18 ALA O O -10.776 0.831 -1.705 1.00 . A X . 18 ALA O 1 1 9 3747 1 1 19 LEU C C -11.186 -0.672 0.730 1.00 . A X . 19 LEU C 1 1 9 3748 1 1 19 LEU CA C -9.933 -1.180 0.024 1.00 . A X . 19 LEU CA 1 1 9 3749 1 1 19 LEU CB C -9.119 -2.059 0.975 1.00 . A X . 19 LEU CB 1 1 9 3750 1 1 19 LEU CD1 C -10.183 -4.241 0.346 1.00 . A X . 19 LEU CD1 1 1 9 3751 1 1 19 LEU CD2 C -9.008 -4.003 2.548 1.00 . A X . 19 LEU CD2 1 1 9 3752 1 1 19 LEU CG C -9.846 -3.298 1.494 1.00 . A X . 19 LEU CG 1 1 9 3753 1 1 19 LEU H H -8.194 0.019 -0.147 1.00 . A X . 19 LEU H 1 1 9 3754 1 1 19 LEU HA H -10.231 -1.770 -0.828 1.00 . A X . 19 LEU HA 1 1 9 3755 1 1 19 LEU HB2 H -8.226 -2.382 0.459 1.00 . A X . 19 LEU HB2 1 1 9 3756 1 1 19 LEU HB3 H -8.825 -1.460 1.825 1.00 . A X . 19 LEU HB3 1 1 9 3757 1 1 19 LEU HD11 H -9.274 -4.543 -0.152 1.00 . A X . 19 LEU HD11 1 1 9 3758 1 1 19 LEU HD12 H -10.827 -3.735 -0.359 1.00 . A X . 19 LEU HD12 1 1 9 3759 1 1 19 LEU HD13 H -10.689 -5.113 0.733 1.00 . A X . 19 LEU HD13 1 1 9 3760 1 1 19 LEU HD21 H -8.066 -4.306 2.115 1.00 . A X . 19 LEU HD21 1 1 9 3761 1 1 19 LEU HD22 H -9.536 -4.875 2.906 1.00 . A X . 19 LEU HD22 1 1 9 3762 1 1 19 LEU HD23 H -8.825 -3.329 3.371 1.00 . A X . 19 LEU HD23 1 1 9 3763 1 1 19 LEU HG H -10.773 -2.991 1.953 1.00 . A X . 19 LEU HG 1 1 9 3764 1 1 19 LEU N N -9.119 -0.068 -0.462 1.00 . A X . 19 LEU N 1 1 9 3765 1 1 19 LEU O O -12.305 -1.068 0.397 1.00 . A X . 19 LEU O 1 1 9 3766 1 1 20 LYS C C -12.466 2.164 1.861 1.00 . A X . 20 LYS C 1 1 9 3767 1 1 20 LYS CA C -12.105 0.792 2.432 1.00 . A X . 20 LYS CA 1 1 9 3768 1 1 20 LYS CB C -11.756 0.885 3.925 1.00 . A X . 20 LYS CB 1 1 9 3769 1 1 20 LYS CD C -12.574 1.069 6.294 1.00 . A X . 20 LYS CD 1 1 9 3770 1 1 20 LYS CE C -13.784 1.255 7.193 1.00 . A X . 20 LYS CE 1 1 9 3771 1 1 20 LYS CG C -12.966 1.074 4.827 1.00 . A X . 20 LYS CG 1 1 9 3772 1 1 20 LYS H H -10.081 0.508 1.899 1.00 . A X . 20 LYS H 1 1 9 3773 1 1 20 LYS HA H -12.954 0.134 2.312 1.00 . A X . 20 LYS HA 1 1 9 3774 1 1 20 LYS HB2 H -11.254 -0.024 4.224 1.00 . A X . 20 LYS HB2 1 1 9 3775 1 1 20 LYS HB3 H -11.088 1.720 4.079 1.00 . A X . 20 LYS HB3 1 1 9 3776 1 1 20 LYS HD2 H -12.105 0.126 6.529 1.00 . A X . 20 LYS HD2 1 1 9 3777 1 1 20 LYS HD3 H -11.878 1.876 6.473 1.00 . A X . 20 LYS HD3 1 1 9 3778 1 1 20 LYS HE2 H -14.245 2.202 6.964 1.00 . A X . 20 LYS HE2 1 1 9 3779 1 1 20 LYS HE3 H -14.485 0.456 7.001 1.00 . A X . 20 LYS HE3 1 1 9 3780 1 1 20 LYS HG2 H -13.433 2.018 4.593 1.00 . A X . 20 LYS HG2 1 1 9 3781 1 1 20 LYS HG3 H -13.665 0.269 4.648 1.00 . A X . 20 LYS HG3 1 1 9 3782 1 1 20 LYS HZ1 H -14.241 1.464 9.220 1.00 . A X . 20 LYS HZ1 1 1 9 3783 1 1 20 LYS HZ2 H -12.660 1.935 8.817 1.00 . A X . 20 LYS HZ2 1 1 9 3784 1 1 20 LYS HZ3 H -13.062 0.290 8.898 1.00 . A X . 20 LYS HZ3 1 1 9 3785 1 1 20 LYS N N -10.992 0.224 1.686 1.00 . A X . 20 LYS N 1 1 9 3786 1 1 20 LYS NZ N -13.411 1.235 8.630 1.00 . A X . 20 LYS NZ 1 1 9 3787 1 1 20 LYS O O -13.079 2.999 2.527 1.00 . A X . 20 LYS O 1 1 9 3788 1 1 21 LEU C C -13.632 3.335 -0.978 1.00 . A X . 21 LEU C 1 1 9 3789 1 1 21 LEU CA C -12.427 3.611 -0.093 1.00 . A X . 21 LEU CA 1 1 9 3790 1 1 21 LEU CB C -11.248 4.108 -0.939 1.00 . A X . 21 LEU CB 1 1 9 3791 1 1 21 LEU CD1 C -11.761 6.562 -0.803 1.00 . A X . 21 LEU CD1 1 1 9 3792 1 1 21 LEU CD2 C -10.325 5.681 -2.657 1.00 . A X . 21 LEU CD2 1 1 9 3793 1 1 21 LEU CG C -11.500 5.389 -1.737 1.00 . A X . 21 LEU CG 1 1 9 3794 1 1 21 LEU H H -11.522 1.720 0.161 1.00 . A X . 21 LEU H 1 1 9 3795 1 1 21 LEU HA H -12.690 4.364 0.637 1.00 . A X . 21 LEU HA 1 1 9 3796 1 1 21 LEU HB2 H -10.409 4.283 -0.279 1.00 . A X . 21 LEU HB2 1 1 9 3797 1 1 21 LEU HB3 H -10.978 3.327 -1.634 1.00 . A X . 21 LEU HB3 1 1 9 3798 1 1 21 LEU HD11 H -11.912 7.458 -1.385 1.00 . A X . 21 LEU HD11 1 1 9 3799 1 1 21 LEU HD12 H -10.915 6.695 -0.146 1.00 . A X . 21 LEU HD12 1 1 9 3800 1 1 21 LEU HD13 H -12.644 6.360 -0.216 1.00 . A X . 21 LEU HD13 1 1 9 3801 1 1 21 LEU HD21 H -9.431 5.827 -2.069 1.00 . A X . 21 LEU HD21 1 1 9 3802 1 1 21 LEU HD22 H -10.531 6.573 -3.229 1.00 . A X . 21 LEU HD22 1 1 9 3803 1 1 21 LEU HD23 H -10.180 4.848 -3.331 1.00 . A X . 21 LEU HD23 1 1 9 3804 1 1 21 LEU HG H -12.378 5.251 -2.350 1.00 . A X . 21 LEU HG 1 1 9 3805 1 1 21 LEU N N -12.068 2.393 0.618 1.00 . A X . 21 LEU N 1 1 9 3806 1 1 21 LEU O O -14.509 4.178 -1.144 1.00 . A X . 21 LEU O 1 1 9 3807 1 1 22 LYS C C -15.832 0.995 -1.474 1.00 . A X . 22 LYS C 1 1 9 3808 1 1 22 LYS CA C -14.786 1.681 -2.345 1.00 . A X . 22 LYS CA 1 1 9 3809 1 1 22 LYS CB C -14.287 0.710 -3.418 1.00 . A X . 22 LYS CB 1 1 9 3810 1 1 22 LYS CD C -12.614 0.216 -5.222 1.00 . A X . 22 LYS CD 1 1 9 3811 1 1 22 LYS CE C -11.499 0.773 -6.094 1.00 . A X . 22 LYS CE 1 1 9 3812 1 1 22 LYS CG C -13.206 1.287 -4.317 1.00 . A X . 22 LYS CG 1 1 9 3813 1 1 22 LYS H H -12.925 1.506 -1.365 1.00 . A X . 22 LYS H 1 1 9 3814 1 1 22 LYS HA H -15.224 2.546 -2.817 1.00 . A X . 22 LYS HA 1 1 9 3815 1 1 22 LYS HB2 H -13.885 -0.166 -2.932 1.00 . A X . 22 LYS HB2 1 1 9 3816 1 1 22 LYS HB3 H -15.123 0.415 -4.038 1.00 . A X . 22 LYS HB3 1 1 9 3817 1 1 22 LYS HD2 H -12.215 -0.576 -4.608 1.00 . A X . 22 LYS HD2 1 1 9 3818 1 1 22 LYS HD3 H -13.394 -0.176 -5.858 1.00 . A X . 22 LYS HD3 1 1 9 3819 1 1 22 LYS HE2 H -10.777 1.267 -5.462 1.00 . A X . 22 LYS HE2 1 1 9 3820 1 1 22 LYS HE3 H -11.020 -0.049 -6.609 1.00 . A X . 22 LYS HE3 1 1 9 3821 1 1 22 LYS HG2 H -13.636 2.067 -4.927 1.00 . A X . 22 LYS HG2 1 1 9 3822 1 1 22 LYS HG3 H -12.420 1.699 -3.700 1.00 . A X . 22 LYS HG3 1 1 9 3823 1 1 22 LYS HZ1 H -12.695 1.282 -7.732 1.00 . A X . 22 LYS HZ1 1 1 9 3824 1 1 22 LYS HZ2 H -11.213 2.106 -7.675 1.00 . A X . 22 LYS HZ2 1 1 9 3825 1 1 22 LYS HZ3 H -12.468 2.550 -6.627 1.00 . A X . 22 LYS HZ3 1 1 9 3826 1 1 22 LYS N N -13.671 2.123 -1.520 1.00 . A X . 22 LYS N 1 1 9 3827 1 1 22 LYS NZ N -12.004 1.744 -7.101 1.00 . A X . 22 LYS NZ 1 1 9 3828 1 1 22 LYS O O -16.624 0.179 -1.951 1.00 . A X . 22 LYS O 1 1 9 3829 1 1 23 LYS C C -17.203 1.725 1.782 1.00 . A X . 23 LYS C 1 1 9 3830 1 1 23 LYS CA C -16.696 0.700 0.772 1.00 . A X . 23 LYS CA 1 1 9 3831 1 1 23 LYS CB C -15.945 -0.425 1.488 1.00 . A X . 23 LYS CB 1 1 9 3832 1 1 23 LYS CD C -16.010 -2.323 3.134 1.00 . A X . 23 LYS CD 1 1 9 3833 1 1 23 LYS CE C -16.882 -3.129 4.083 1.00 . A X . 23 LYS CE 1 1 9 3834 1 1 23 LYS CG C -16.795 -1.199 2.480 1.00 . A X . 23 LYS CG 1 1 9 3835 1 1 23 LYS H H -15.218 2.037 0.110 1.00 . A X . 23 LYS H 1 1 9 3836 1 1 23 LYS HA H -17.535 0.285 0.240 1.00 . A X . 23 LYS HA 1 1 9 3837 1 1 23 LYS HB2 H -15.572 -1.118 0.747 1.00 . A X . 23 LYS HB2 1 1 9 3838 1 1 23 LYS HB3 H -15.107 0.000 2.019 1.00 . A X . 23 LYS HB3 1 1 9 3839 1 1 23 LYS HD2 H -15.631 -2.980 2.365 1.00 . A X . 23 LYS HD2 1 1 9 3840 1 1 23 LYS HD3 H -15.186 -1.899 3.688 1.00 . A X . 23 LYS HD3 1 1 9 3841 1 1 23 LYS HE2 H -16.287 -3.915 4.523 1.00 . A X . 23 LYS HE2 1 1 9 3842 1 1 23 LYS HE3 H -17.245 -2.474 4.863 1.00 . A X . 23 LYS HE3 1 1 9 3843 1 1 23 LYS HG2 H -17.143 -0.524 3.248 1.00 . A X . 23 LYS HG2 1 1 9 3844 1 1 23 LYS HG3 H -17.643 -1.622 1.961 1.00 . A X . 23 LYS HG3 1 1 9 3845 1 1 23 LYS HZ1 H -18.582 -4.340 4.043 1.00 . A X . 23 LYS HZ1 1 1 9 3846 1 1 23 LYS HZ2 H -17.715 -4.324 2.585 1.00 . A X . 23 LYS HZ2 1 1 9 3847 1 1 23 LYS HZ3 H -18.675 -2.992 3.016 1.00 . A X . 23 LYS HZ3 1 1 9 3848 1 1 23 LYS N N -15.824 1.333 -0.193 1.00 . A X . 23 LYS N 1 1 9 3849 1 1 23 LYS NZ N -18.044 -3.738 3.385 1.00 . A X . 23 LYS NZ 1 1 9 3850 1 1 23 LYS O O -16.465 2.628 2.184 1.00 . A X . 23 LYS O 1 1 9 3851 1 1 24 ALA C C -20.021 1.659 4.040 1.00 . A X . 24 ALA C 1 1 9 3852 1 1 24 ALA CA C -19.071 2.459 3.160 1.00 . A X . 24 ALA CA 1 1 9 3853 1 1 24 ALA CB C -19.806 3.609 2.490 1.00 . A X . 24 ALA CB 1 1 9 3854 1 1 24 ALA H H -19.008 0.872 1.771 1.00 . A X . 24 ALA H 1 1 9 3855 1 1 24 ALA HA H -18.282 2.872 3.774 1.00 . A X . 24 ALA HA 1 1 9 3856 1 1 24 ALA HB1 H -20.239 4.250 3.242 1.00 . A X . 24 ALA HB1 1 1 9 3857 1 1 24 ALA HB2 H -20.589 3.212 1.859 1.00 . A X . 24 ALA HB2 1 1 9 3858 1 1 24 ALA HB3 H -19.112 4.176 1.888 1.00 . A X . 24 ALA HB3 1 1 9 3859 1 1 24 ALA N N -18.465 1.589 2.166 1.00 . A X . 24 ALA N 1 1 9 3860 1 1 24 ALA O O -21.148 1.368 3.586 1.00 . A X . 24 ALA O 1 1 9 3861 1 1 24 ALA OXT O -19.633 1.301 5.167 1.00 . A X . 24 ALA OXT 1 1 10 3862 1 1 1 LYS C C 14.386 -8.500 -0.793 1.00 . A X . 1 LYS C 1 1 10 3863 1 1 1 LYS CA C 15.234 -7.409 -1.443 1.00 . A X . 1 LYS CA 1 1 10 3864 1 1 1 LYS CB C 15.790 -7.882 -2.793 1.00 . A X . 1 LYS CB 1 1 10 3865 1 1 1 LYS CD C 15.365 -8.275 -5.238 1.00 . A X . 1 LYS CD 1 1 10 3866 1 1 1 LYS CE C 14.315 -8.482 -6.320 1.00 . A X . 1 LYS CE 1 1 10 3867 1 1 1 LYS CG C 14.734 -8.125 -3.861 1.00 . A X . 1 LYS CG 1 1 10 3868 1 1 1 LYS H1 H 16.994 -7.834 -0.409 1.00 . A X . 1 LYS H1 1 1 10 3869 1 1 1 LYS H2 H 15.989 -6.715 0.369 1.00 . A X . 1 LYS H2 1 1 10 3870 1 1 1 LYS H3 H 16.900 -6.240 -0.979 1.00 . A X . 1 LYS H3 1 1 10 3871 1 1 1 LYS HA H 14.610 -6.541 -1.600 1.00 . A X . 1 LYS HA 1 1 10 3872 1 1 1 LYS HB2 H 16.477 -7.135 -3.164 1.00 . A X . 1 LYS HB2 1 1 10 3873 1 1 1 LYS HB3 H 16.329 -8.804 -2.638 1.00 . A X . 1 LYS HB3 1 1 10 3874 1 1 1 LYS HD2 H 15.927 -7.383 -5.466 1.00 . A X . 1 LYS HD2 1 1 10 3875 1 1 1 LYS HD3 H 16.027 -9.127 -5.228 1.00 . A X . 1 LYS HD3 1 1 10 3876 1 1 1 LYS HE2 H 13.488 -7.811 -6.134 1.00 . A X . 1 LYS HE2 1 1 10 3877 1 1 1 LYS HE3 H 14.754 -8.251 -7.279 1.00 . A X . 1 LYS HE3 1 1 10 3878 1 1 1 LYS HG2 H 14.196 -9.031 -3.623 1.00 . A X . 1 LYS HG2 1 1 10 3879 1 1 1 LYS HG3 H 14.050 -7.290 -3.877 1.00 . A X . 1 LYS HG3 1 1 10 3880 1 1 1 LYS HZ1 H 14.543 -10.518 -6.704 1.00 . A X . 1 LYS HZ1 1 1 10 3881 1 1 1 LYS HZ2 H 12.970 -9.947 -6.968 1.00 . A X . 1 LYS HZ2 1 1 10 3882 1 1 1 LYS HZ3 H 13.533 -10.183 -5.384 1.00 . A X . 1 LYS HZ3 1 1 10 3883 1 1 1 LYS N N 16.356 -7.024 -0.555 1.00 . A X . 1 LYS N 1 1 10 3884 1 1 1 LYS NZ N 13.804 -9.877 -6.345 1.00 . A X . 1 LYS NZ 1 1 10 3885 1 1 1 LYS O O 13.273 -8.783 -1.236 1.00 . A X . 1 LYS O 1 1 10 3886 1 1 2 LYS C C 13.328 -9.571 2.107 1.00 . A X . 2 LYS C 1 1 10 3887 1 1 2 LYS CA C 14.172 -10.148 0.969 1.00 . A X . 2 LYS CA 1 1 10 3888 1 1 2 LYS CB C 15.131 -11.195 1.530 1.00 . A X . 2 LYS CB 1 1 10 3889 1 1 2 LYS CD C 16.925 -12.892 1.112 1.00 . A X . 2 LYS CD 1 1 10 3890 1 1 2 LYS CE C 17.952 -13.415 0.124 1.00 . A X . 2 LYS CE 1 1 10 3891 1 1 2 LYS CG C 16.030 -11.835 0.487 1.00 . A X . 2 LYS CG 1 1 10 3892 1 1 2 LYS H H 15.796 -8.852 0.585 1.00 . A X . 2 LYS H 1 1 10 3893 1 1 2 LYS HA H 13.512 -10.623 0.258 1.00 . A X . 2 LYS HA 1 1 10 3894 1 1 2 LYS HB2 H 15.757 -10.726 2.273 1.00 . A X . 2 LYS HB2 1 1 10 3895 1 1 2 LYS HB3 H 14.554 -11.975 2.002 1.00 . A X . 2 LYS HB3 1 1 10 3896 1 1 2 LYS HD2 H 17.443 -12.458 1.952 1.00 . A X . 2 LYS HD2 1 1 10 3897 1 1 2 LYS HD3 H 16.313 -13.715 1.451 1.00 . A X . 2 LYS HD3 1 1 10 3898 1 1 2 LYS HE2 H 18.514 -14.210 0.593 1.00 . A X . 2 LYS HE2 1 1 10 3899 1 1 2 LYS HE3 H 17.435 -13.803 -0.742 1.00 . A X . 2 LYS HE3 1 1 10 3900 1 1 2 LYS HG2 H 15.417 -12.297 -0.270 1.00 . A X . 2 LYS HG2 1 1 10 3901 1 1 2 LYS HG3 H 16.648 -11.071 0.040 1.00 . A X . 2 LYS HG3 1 1 10 3902 1 1 2 LYS HZ1 H 18.386 -11.629 -0.874 1.00 . A X . 2 LYS HZ1 1 1 10 3903 1 1 2 LYS HZ2 H 19.655 -12.756 -0.898 1.00 . A X . 2 LYS HZ2 1 1 10 3904 1 1 2 LYS HZ3 H 19.320 -11.883 0.519 1.00 . A X . 2 LYS HZ3 1 1 10 3905 1 1 2 LYS N N 14.901 -9.103 0.270 1.00 . A X . 2 LYS N 1 1 10 3906 1 1 2 LYS NZ N 18.893 -12.349 -0.311 1.00 . A X . 2 LYS NZ 1 1 10 3907 1 1 2 LYS O O 12.112 -9.436 1.981 1.00 . A X . 2 LYS O 1 1 10 3908 1 1 3 LEU C C 12.777 -7.393 4.432 1.00 . A X . 3 LEU C 1 1 10 3909 1 1 3 LEU CA C 13.276 -8.836 4.431 1.00 . A X . 3 LEU CA 1 1 10 3910 1 1 3 LEU CB C 14.162 -9.084 5.658 1.00 . A X . 3 LEU CB 1 1 10 3911 1 1 3 LEU CD1 C 15.423 -11.177 5.060 1.00 . A X . 3 LEU CD1 1 1 10 3912 1 1 3 LEU CD2 C 14.878 -10.685 7.450 1.00 . A X . 3 LEU CD2 1 1 10 3913 1 1 3 LEU CG C 14.414 -10.555 6.009 1.00 . A X . 3 LEU CG 1 1 10 3914 1 1 3 LEU H H 14.963 -9.112 3.169 1.00 . A X . 3 LEU H 1 1 10 3915 1 1 3 LEU HA H 12.417 -9.486 4.497 1.00 . A X . 3 LEU HA 1 1 10 3916 1 1 3 LEU HB2 H 15.118 -8.611 5.482 1.00 . A X . 3 LEU HB2 1 1 10 3917 1 1 3 LEU HB3 H 13.700 -8.609 6.509 1.00 . A X . 3 LEU HB3 1 1 10 3918 1 1 3 LEU HD11 H 15.579 -12.211 5.328 1.00 . A X . 3 LEU HD11 1 1 10 3919 1 1 3 LEU HD12 H 16.358 -10.641 5.130 1.00 . A X . 3 LEU HD12 1 1 10 3920 1 1 3 LEU HD13 H 15.047 -11.118 4.050 1.00 . A X . 3 LEU HD13 1 1 10 3921 1 1 3 LEU HD21 H 15.798 -10.134 7.585 1.00 . A X . 3 LEU HD21 1 1 10 3922 1 1 3 LEU HD22 H 15.047 -11.728 7.682 1.00 . A X . 3 LEU HD22 1 1 10 3923 1 1 3 LEU HD23 H 14.121 -10.289 8.109 1.00 . A X . 3 LEU HD23 1 1 10 3924 1 1 3 LEU HG H 13.490 -11.103 5.907 1.00 . A X . 3 LEU HG 1 1 10 3925 1 1 3 LEU N N 13.981 -9.183 3.197 1.00 . A X . 3 LEU N 1 1 10 3926 1 1 3 LEU O O 12.739 -6.741 5.475 1.00 . A X . 3 LEU O 1 1 10 3927 1 1 4 LYS C C 10.598 -5.769 2.114 1.00 . A X . 4 LYS C 1 1 10 3928 1 1 4 LYS CA C 11.713 -5.625 3.138 1.00 . A X . 4 LYS CA 1 1 10 3929 1 1 4 LYS CB C 12.647 -4.476 2.728 1.00 . A X . 4 LYS CB 1 1 10 3930 1 1 4 LYS CD C 14.540 -4.578 4.400 1.00 . A X . 4 LYS CD 1 1 10 3931 1 1 4 LYS CE C 15.144 -3.949 5.645 1.00 . A X . 4 LYS CE 1 1 10 3932 1 1 4 LYS CG C 13.353 -3.783 3.889 1.00 . A X . 4 LYS CG 1 1 10 3933 1 1 4 LYS H H 12.627 -7.407 2.450 1.00 . A X . 4 LYS H 1 1 10 3934 1 1 4 LYS HA H 11.275 -5.400 4.100 1.00 . A X . 4 LYS HA 1 1 10 3935 1 1 4 LYS HB2 H 13.403 -4.868 2.067 1.00 . A X . 4 LYS HB2 1 1 10 3936 1 1 4 LYS HB3 H 12.070 -3.734 2.196 1.00 . A X . 4 LYS HB3 1 1 10 3937 1 1 4 LYS HD2 H 14.215 -5.579 4.638 1.00 . A X . 4 LYS HD2 1 1 10 3938 1 1 4 LYS HD3 H 15.293 -4.617 3.628 1.00 . A X . 4 LYS HD3 1 1 10 3939 1 1 4 LYS HE2 H 14.411 -3.971 6.438 1.00 . A X . 4 LYS HE2 1 1 10 3940 1 1 4 LYS HE3 H 16.008 -4.526 5.940 1.00 . A X . 4 LYS HE3 1 1 10 3941 1 1 4 LYS HG2 H 13.702 -2.817 3.556 1.00 . A X . 4 LYS HG2 1 1 10 3942 1 1 4 LYS HG3 H 12.646 -3.649 4.695 1.00 . A X . 4 LYS HG3 1 1 10 3943 1 1 4 LYS HZ1 H 16.145 -2.481 4.549 1.00 . A X . 4 LYS HZ1 1 1 10 3944 1 1 4 LYS HZ2 H 16.120 -2.193 6.217 1.00 . A X . 4 LYS HZ2 1 1 10 3945 1 1 4 LYS HZ3 H 14.722 -1.932 5.293 1.00 . A X . 4 LYS HZ3 1 1 10 3946 1 1 4 LYS N N 12.418 -6.896 3.261 1.00 . A X . 4 LYS N 1 1 10 3947 1 1 4 LYS NZ N 15.559 -2.543 5.409 1.00 . A X . 4 LYS NZ 1 1 10 3948 1 1 4 LYS O O 9.426 -5.532 2.413 1.00 . A X . 4 LYS O 1 1 10 3949 1 1 5 LEU C C 9.034 -7.506 0.194 1.00 . A X . 5 LEU C 1 1 10 3950 1 1 5 LEU CA C 10.020 -6.405 -0.171 1.00 . A X . 5 LEU CA 1 1 10 3951 1 1 5 LEU CB C 10.758 -6.770 -1.463 1.00 . A X . 5 LEU CB 1 1 10 3952 1 1 5 LEU CD1 C 9.084 -5.808 -3.070 1.00 . A X . 5 LEU CD1 1 1 10 3953 1 1 5 LEU CD2 C 10.705 -7.548 -3.842 1.00 . A X . 5 LEU CD2 1 1 10 3954 1 1 5 LEU CG C 9.866 -7.052 -2.676 1.00 . A X . 5 LEU CG 1 1 10 3955 1 1 5 LEU H H 11.926 -6.353 0.741 1.00 . A X . 5 LEU H 1 1 10 3956 1 1 5 LEU HA H 9.476 -5.487 -0.320 1.00 . A X . 5 LEU HA 1 1 10 3957 1 1 5 LEU HB2 H 11.420 -5.955 -1.715 1.00 . A X . 5 LEU HB2 1 1 10 3958 1 1 5 LEU HB3 H 11.356 -7.650 -1.274 1.00 . A X . 5 LEU HB3 1 1 10 3959 1 1 5 LEU HD11 H 8.454 -5.506 -2.248 1.00 . A X . 5 LEU HD11 1 1 10 3960 1 1 5 LEU HD12 H 8.472 -6.025 -3.933 1.00 . A X . 5 LEU HD12 1 1 10 3961 1 1 5 LEU HD13 H 9.773 -5.010 -3.308 1.00 . A X . 5 LEU HD13 1 1 10 3962 1 1 5 LEU HD21 H 11.257 -8.426 -3.541 1.00 . A X . 5 LEU HD21 1 1 10 3963 1 1 5 LEU HD22 H 11.395 -6.774 -4.143 1.00 . A X . 5 LEU HD22 1 1 10 3964 1 1 5 LEU HD23 H 10.059 -7.797 -4.670 1.00 . A X . 5 LEU HD23 1 1 10 3965 1 1 5 LEU HG H 9.156 -7.825 -2.419 1.00 . A X . 5 LEU HG 1 1 10 3966 1 1 5 LEU N N 10.975 -6.192 0.910 1.00 . A X . 5 LEU N 1 1 10 3967 1 1 5 LEU O O 7.834 -7.379 -0.051 1.00 . A X . 5 LEU O 1 1 10 3968 1 1 6 ALA C C 7.990 -9.387 2.540 1.00 . A X . 6 ALA C 1 1 10 3969 1 1 6 ALA CA C 8.692 -9.684 1.212 1.00 . A X . 6 ALA CA 1 1 10 3970 1 1 6 ALA CB C 9.505 -10.970 1.311 1.00 . A X . 6 ALA CB 1 1 10 3971 1 1 6 ALA H H 10.509 -8.614 0.973 1.00 . A X . 6 ALA H 1 1 10 3972 1 1 6 ALA HA H 7.941 -9.822 0.447 1.00 . A X . 6 ALA HA 1 1 10 3973 1 1 6 ALA HB1 H 8.859 -11.787 1.592 1.00 . A X . 6 ALA HB1 1 1 10 3974 1 1 6 ALA HB2 H 10.280 -10.852 2.053 1.00 . A X . 6 ALA HB2 1 1 10 3975 1 1 6 ALA HB3 H 9.956 -11.183 0.352 1.00 . A X . 6 ALA HB3 1 1 10 3976 1 1 6 ALA N N 9.539 -8.572 0.802 1.00 . A X . 6 ALA N 1 1 10 3977 1 1 6 ALA O O 7.414 -10.283 3.162 1.00 . A X . 6 ALA O 1 1 10 3978 1 1 7 LEU C C 6.252 -6.713 3.853 1.00 . A X . 7 LEU C 1 1 10 3979 1 1 7 LEU CA C 7.347 -7.717 4.189 1.00 . A X . 7 LEU CA 1 1 10 3980 1 1 7 LEU CB C 8.321 -7.129 5.214 1.00 . A X . 7 LEU CB 1 1 10 3981 1 1 7 LEU CD1 C 10.113 -7.478 6.923 1.00 . A X . 7 LEU CD1 1 1 10 3982 1 1 7 LEU CD2 C 8.642 -9.384 6.267 1.00 . A X . 7 LEU CD2 1 1 10 3983 1 1 7 LEU CG C 9.338 -8.119 5.787 1.00 . A X . 7 LEU CG 1 1 10 3984 1 1 7 LEU H H 8.550 -7.465 2.459 1.00 . A X . 7 LEU H 1 1 10 3985 1 1 7 LEU HA H 6.883 -8.595 4.613 1.00 . A X . 7 LEU HA 1 1 10 3986 1 1 7 LEU HB2 H 8.862 -6.322 4.744 1.00 . A X . 7 LEU HB2 1 1 10 3987 1 1 7 LEU HB3 H 7.747 -6.725 6.034 1.00 . A X . 7 LEU HB3 1 1 10 3988 1 1 7 LEU HD11 H 10.824 -8.188 7.321 1.00 . A X . 7 LEU HD11 1 1 10 3989 1 1 7 LEU HD12 H 9.428 -7.179 7.702 1.00 . A X . 7 LEU HD12 1 1 10 3990 1 1 7 LEU HD13 H 10.639 -6.610 6.555 1.00 . A X . 7 LEU HD13 1 1 10 3991 1 1 7 LEU HD21 H 9.378 -10.083 6.635 1.00 . A X . 7 LEU HD21 1 1 10 3992 1 1 7 LEU HD22 H 8.100 -9.830 5.447 1.00 . A X . 7 LEU HD22 1 1 10 3993 1 1 7 LEU HD23 H 7.953 -9.135 7.061 1.00 . A X . 7 LEU HD23 1 1 10 3994 1 1 7 LEU HG H 10.041 -8.395 5.013 1.00 . A X . 7 LEU HG 1 1 10 3995 1 1 7 LEU N N 8.042 -8.132 2.974 1.00 . A X . 7 LEU N 1 1 10 3996 1 1 7 LEU O O 5.092 -6.908 4.218 1.00 . A X . 7 LEU O 1 1 10 3997 1 1 8 ALA C C 4.747 -5.362 1.630 1.00 . A X . 8 ALA C 1 1 10 3998 1 1 8 ALA CA C 5.642 -4.684 2.659 1.00 . A X . 8 ALA CA 1 1 10 3999 1 1 8 ALA CB C 6.339 -3.470 2.060 1.00 . A X . 8 ALA CB 1 1 10 4000 1 1 8 ALA H H 7.574 -5.504 2.959 1.00 . A X . 8 ALA H 1 1 10 4001 1 1 8 ALA HA H 5.039 -4.356 3.495 1.00 . A X . 8 ALA HA 1 1 10 4002 1 1 8 ALA HB1 H 5.598 -2.760 1.723 1.00 . A X . 8 ALA HB1 1 1 10 4003 1 1 8 ALA HB2 H 6.946 -3.782 1.224 1.00 . A X . 8 ALA HB2 1 1 10 4004 1 1 8 ALA HB3 H 6.968 -3.005 2.807 1.00 . A X . 8 ALA HB3 1 1 10 4005 1 1 8 ALA N N 6.622 -5.645 3.151 1.00 . A X . 8 ALA N 1 1 10 4006 1 1 8 ALA O O 3.522 -5.237 1.680 1.00 . A X . 8 ALA O 1 1 10 4007 1 1 9 LYS C C 3.691 -6.305 -1.089 1.00 . A X . 9 LYS C 1 1 10 4008 1 1 9 LYS CA C 4.690 -7.011 -0.180 1.00 . A X . 9 LYS CA 1 1 10 4009 1 1 9 LYS CB C 4.007 -8.098 0.657 1.00 . A X . 9 LYS CB 1 1 10 4010 1 1 9 LYS CD C 3.134 -10.430 0.797 1.00 . A X . 9 LYS CD 1 1 10 4011 1 1 9 LYS CE C 2.723 -11.687 0.049 1.00 . A X . 9 LYS CE 1 1 10 4012 1 1 9 LYS CG C 3.551 -9.310 -0.138 1.00 . A X . 9 LYS CG 1 1 10 4013 1 1 9 LYS H H 6.343 -5.951 0.588 1.00 . A X . 9 LYS H 1 1 10 4014 1 1 9 LYS HA H 5.439 -7.479 -0.801 1.00 . A X . 9 LYS HA 1 1 10 4015 1 1 9 LYS HB2 H 4.698 -8.436 1.414 1.00 . A X . 9 LYS HB2 1 1 10 4016 1 1 9 LYS HB3 H 3.142 -7.668 1.141 1.00 . A X . 9 LYS HB3 1 1 10 4017 1 1 9 LYS HD2 H 3.965 -10.670 1.444 1.00 . A X . 9 LYS HD2 1 1 10 4018 1 1 9 LYS HD3 H 2.301 -10.090 1.395 1.00 . A X . 9 LYS HD3 1 1 10 4019 1 1 9 LYS HE2 H 3.512 -11.948 -0.639 1.00 . A X . 9 LYS HE2 1 1 10 4020 1 1 9 LYS HE3 H 2.594 -12.486 0.764 1.00 . A X . 9 LYS HE3 1 1 10 4021 1 1 9 LYS HG2 H 2.711 -9.034 -0.757 1.00 . A X . 9 LYS HG2 1 1 10 4022 1 1 9 LYS HG3 H 4.367 -9.652 -0.760 1.00 . A X . 9 LYS HG3 1 1 10 4023 1 1 9 LYS HZ1 H 0.799 -10.901 -0.183 1.00 . A X . 9 LYS HZ1 1 1 10 4024 1 1 9 LYS HZ2 H 1.005 -12.436 -0.865 1.00 . A X . 9 LYS HZ2 1 1 10 4025 1 1 9 LYS HZ3 H 1.649 -11.079 -1.642 1.00 . A X . 9 LYS HZ3 1 1 10 4026 1 1 9 LYS N N 5.379 -6.074 0.699 1.00 . A X . 9 LYS N 1 1 10 4027 1 1 9 LYS NZ N 1.458 -11.511 -0.714 1.00 . A X . 9 LYS NZ 1 1 10 4028 1 1 9 LYS O O 2.476 -6.401 -0.897 1.00 . A X . 9 LYS O 1 1 10 4029 1 1 10 LEU C C 2.709 -3.692 -2.534 1.00 . A X . 10 LEU C 1 1 10 4030 1 1 10 LEU CA C 3.439 -4.906 -3.099 1.00 . A X . 10 LEU CA 1 1 10 4031 1 1 10 LEU CB C 2.448 -5.868 -3.765 1.00 . A X . 10 LEU CB 1 1 10 4032 1 1 10 LEU CD1 C 2.013 -7.977 -5.043 1.00 . A X . 10 LEU CD1 1 1 10 4033 1 1 10 LEU CD2 C 4.045 -6.621 -5.553 1.00 . A X . 10 LEU CD2 1 1 10 4034 1 1 10 LEU CG C 3.084 -7.073 -4.464 1.00 . A X . 10 LEU CG 1 1 10 4035 1 1 10 LEU H H 5.206 -5.493 -2.096 1.00 . A X . 10 LEU H 1 1 10 4036 1 1 10 LEU HA H 4.132 -4.559 -3.851 1.00 . A X . 10 LEU HA 1 1 10 4037 1 1 10 LEU HB2 H 1.771 -6.234 -3.007 1.00 . A X . 10 LEU HB2 1 1 10 4038 1 1 10 LEU HB3 H 1.877 -5.317 -4.497 1.00 . A X . 10 LEU HB3 1 1 10 4039 1 1 10 LEU HD11 H 1.372 -8.328 -4.248 1.00 . A X . 10 LEU HD11 1 1 10 4040 1 1 10 LEU HD12 H 2.481 -8.822 -5.525 1.00 . A X . 10 LEU HD12 1 1 10 4041 1 1 10 LEU HD13 H 1.427 -7.427 -5.765 1.00 . A X . 10 LEU HD13 1 1 10 4042 1 1 10 LEU HD21 H 4.475 -7.488 -6.033 1.00 . A X . 10 LEU HD21 1 1 10 4043 1 1 10 LEU HD22 H 4.832 -6.025 -5.114 1.00 . A X . 10 LEU HD22 1 1 10 4044 1 1 10 LEU HD23 H 3.512 -6.033 -6.284 1.00 . A X . 10 LEU HD23 1 1 10 4045 1 1 10 LEU HG H 3.644 -7.644 -3.739 1.00 . A X . 10 LEU HG 1 1 10 4046 1 1 10 LEU N N 4.231 -5.584 -2.069 1.00 . A X . 10 LEU N 1 1 10 4047 1 1 10 LEU O O 1.664 -3.291 -3.058 1.00 . A X . 10 LEU O 1 1 10 4048 1 1 11 ALA C C 1.388 -2.004 -0.266 1.00 . A X . 11 ALA C 1 1 10 4049 1 1 11 ALA CA C 2.789 -1.870 -0.868 1.00 . A X . 11 ALA CA 1 1 10 4050 1 1 11 ALA CB C 2.815 -0.740 -1.888 1.00 . A X . 11 ALA CB 1 1 10 4051 1 1 11 ALA H H 4.050 -3.572 -1.052 1.00 . A X . 11 ALA H 1 1 10 4052 1 1 11 ALA HA H 3.476 -1.611 -0.076 1.00 . A X . 11 ALA HA 1 1 10 4053 1 1 11 ALA HB1 H 2.513 0.179 -1.411 1.00 . A X . 11 ALA HB1 1 1 10 4054 1 1 11 ALA HB2 H 2.135 -0.969 -2.697 1.00 . A X . 11 ALA HB2 1 1 10 4055 1 1 11 ALA HB3 H 3.814 -0.631 -2.279 1.00 . A X . 11 ALA HB3 1 1 10 4056 1 1 11 ALA N N 3.272 -3.123 -1.464 1.00 . A X . 11 ALA N 1 1 10 4057 1 1 11 ALA O O 0.383 -1.968 -0.974 1.00 . A X . 11 ALA O 1 1 10 4058 1 1 12 PRO C C -0.773 -0.950 1.764 1.00 . A X . 12 PRO C 1 1 10 4059 1 1 12 PRO CA C 0.023 -2.255 1.774 1.00 . A X . 12 PRO CA 1 1 10 4060 1 1 12 PRO CB C 0.434 -2.612 3.205 1.00 . A X . 12 PRO CB 1 1 10 4061 1 1 12 PRO CD C 2.454 -2.194 1.994 1.00 . A X . 12 PRO CD 1 1 10 4062 1 1 12 PRO CG C 1.818 -2.075 3.350 1.00 . A X . 12 PRO CG 1 1 10 4063 1 1 12 PRO HA H -0.583 -3.049 1.362 1.00 . A X . 12 PRO HA 1 1 10 4064 1 1 12 PRO HB2 H -0.246 -2.146 3.904 1.00 . A X . 12 PRO HB2 1 1 10 4065 1 1 12 PRO HB3 H 0.413 -3.685 3.335 1.00 . A X . 12 PRO HB3 1 1 10 4066 1 1 12 PRO HD2 H 3.129 -1.370 1.822 1.00 . A X . 12 PRO HD2 1 1 10 4067 1 1 12 PRO HD3 H 2.977 -3.136 1.903 1.00 . A X . 12 PRO HD3 1 1 10 4068 1 1 12 PRO HG2 H 1.779 -1.040 3.655 1.00 . A X . 12 PRO HG2 1 1 10 4069 1 1 12 PRO HG3 H 2.365 -2.660 4.074 1.00 . A X . 12 PRO HG3 1 1 10 4070 1 1 12 PRO N N 1.306 -2.135 1.067 1.00 . A X . 12 PRO N 1 1 10 4071 1 1 12 PRO O O -1.993 -0.948 1.956 1.00 . A X . 12 PRO O 1 1 10 4072 1 1 13 LEU C C -1.769 1.589 0.472 1.00 . A X . 13 LEU C 1 1 10 4073 1 1 13 LEU CA C -0.674 1.484 1.525 1.00 . A X . 13 LEU CA 1 1 10 4074 1 1 13 LEU CB C 0.393 2.553 1.258 1.00 . A X . 13 LEU CB 1 1 10 4075 1 1 13 LEU CD1 C 2.579 3.630 1.860 1.00 . A X . 13 LEU CD1 1 1 10 4076 1 1 13 LEU CD2 C 0.985 2.973 3.659 1.00 . A X . 13 LEU CD2 1 1 10 4077 1 1 13 LEU CG C 1.527 2.617 2.285 1.00 . A X . 13 LEU CG 1 1 10 4078 1 1 13 LEU H H 0.889 0.068 1.337 1.00 . A X . 13 LEU H 1 1 10 4079 1 1 13 LEU HA H -1.105 1.653 2.501 1.00 . A X . 13 LEU HA 1 1 10 4080 1 1 13 LEU HB2 H 0.826 2.362 0.286 1.00 . A X . 13 LEU HB2 1 1 10 4081 1 1 13 LEU HB3 H -0.096 3.515 1.233 1.00 . A X . 13 LEU HB3 1 1 10 4082 1 1 13 LEU HD11 H 2.951 3.375 0.878 1.00 . A X . 13 LEU HD11 1 1 10 4083 1 1 13 LEU HD12 H 3.395 3.616 2.568 1.00 . A X . 13 LEU HD12 1 1 10 4084 1 1 13 LEU HD13 H 2.142 4.617 1.837 1.00 . A X . 13 LEU HD13 1 1 10 4085 1 1 13 LEU HD21 H 0.264 2.229 3.965 1.00 . A X . 13 LEU HD21 1 1 10 4086 1 1 13 LEU HD22 H 0.507 3.941 3.617 1.00 . A X . 13 LEU HD22 1 1 10 4087 1 1 13 LEU HD23 H 1.797 3.004 4.370 1.00 . A X . 13 LEU HD23 1 1 10 4088 1 1 13 LEU HG H 2.001 1.649 2.350 1.00 . A X . 13 LEU HG 1 1 10 4089 1 1 13 LEU N N -0.069 0.153 1.523 1.00 . A X . 13 LEU N 1 1 10 4090 1 1 13 LEU O O -2.809 2.201 0.701 1.00 . A X . 13 LEU O 1 1 10 4091 1 1 14 TRP C C -3.662 0.123 -1.487 1.00 . A X . 14 TRP C 1 1 10 4092 1 1 14 TRP CA C -2.467 1.018 -1.784 1.00 . A X . 14 TRP CA 1 1 10 4093 1 1 14 TRP CB C -1.772 0.572 -3.076 1.00 . A X . 14 TRP CB 1 1 10 4094 1 1 14 TRP CD1 C -3.139 -0.516 -4.952 1.00 . A X . 14 TRP CD1 1 1 10 4095 1 1 14 TRP CD2 C -3.171 1.725 -4.973 1.00 . A X . 14 TRP CD2 1 1 10 4096 1 1 14 TRP CE2 C -3.947 1.254 -6.049 1.00 . A X . 14 TRP CE2 1 1 10 4097 1 1 14 TRP CE3 C -3.044 3.103 -4.788 1.00 . A X . 14 TRP CE3 1 1 10 4098 1 1 14 TRP CG C -2.659 0.576 -4.284 1.00 . A X . 14 TRP CG 1 1 10 4099 1 1 14 TRP CH2 C -4.460 3.454 -6.724 1.00 . A X . 14 TRP CH2 1 1 10 4100 1 1 14 TRP CZ2 C -4.601 2.111 -6.929 1.00 . A X . 14 TRP CZ2 1 1 10 4101 1 1 14 TRP CZ3 C -3.695 3.954 -5.661 1.00 . A X . 14 TRP CZ3 1 1 10 4102 1 1 14 TRP H H -0.673 0.508 -0.793 1.00 . A X . 14 TRP H 1 1 10 4103 1 1 14 TRP HA H -2.811 2.033 -1.899 1.00 . A X . 14 TRP HA 1 1 10 4104 1 1 14 TRP HB2 H -0.945 1.235 -3.276 1.00 . A X . 14 TRP HB2 1 1 10 4105 1 1 14 TRP HB3 H -1.394 -0.431 -2.943 1.00 . A X . 14 TRP HB3 1 1 10 4106 1 1 14 TRP HD1 H -2.928 -1.540 -4.674 1.00 . A X . 14 TRP HD1 1 1 10 4107 1 1 14 TRP HE1 H -4.362 -0.716 -6.648 1.00 . A X . 14 TRP HE1 1 1 10 4108 1 1 14 TRP HE3 H -2.456 3.506 -3.977 1.00 . A X . 14 TRP HE3 1 1 10 4109 1 1 14 TRP HH2 H -4.949 4.156 -7.382 1.00 . A X . 14 TRP HH2 1 1 10 4110 1 1 14 TRP HZ2 H -5.195 1.740 -7.751 1.00 . A X . 14 TRP HZ2 1 1 10 4111 1 1 14 TRP HZ3 H -3.611 5.022 -5.535 1.00 . A X . 14 TRP HZ3 1 1 10 4112 1 1 14 TRP N N -1.520 0.986 -0.681 1.00 . A X . 14 TRP N 1 1 10 4113 1 1 14 TRP NE1 N -3.909 -0.116 -6.015 1.00 . A X . 14 TRP NE1 1 1 10 4114 1 1 14 TRP O O -4.808 0.529 -1.656 1.00 . A X . 14 TRP O 1 1 10 4115 1 1 15 LYS C C -5.438 -1.644 0.231 1.00 . A X . 15 LYS C 1 1 10 4116 1 1 15 LYS CA C -4.400 -2.095 -0.795 1.00 . A X . 15 LYS CA 1 1 10 4117 1 1 15 LYS CB C -3.749 -3.392 -0.317 1.00 . A X . 15 LYS CB 1 1 10 4118 1 1 15 LYS CD C -3.111 -4.258 -2.592 1.00 . A X . 15 LYS CD 1 1 10 4119 1 1 15 LYS CE C -1.970 -4.731 -3.475 1.00 . A X . 15 LYS CE 1 1 10 4120 1 1 15 LYS CG C -2.617 -3.875 -1.209 1.00 . A X . 15 LYS CG 1 1 10 4121 1 1 15 LYS H H -2.444 -1.292 -0.795 1.00 . A X . 15 LYS H 1 1 10 4122 1 1 15 LYS HA H -4.895 -2.275 -1.736 1.00 . A X . 15 LYS HA 1 1 10 4123 1 1 15 LYS HB2 H -3.354 -3.237 0.676 1.00 . A X . 15 LYS HB2 1 1 10 4124 1 1 15 LYS HB3 H -4.502 -4.164 -0.278 1.00 . A X . 15 LYS HB3 1 1 10 4125 1 1 15 LYS HD2 H -3.834 -5.055 -2.500 1.00 . A X . 15 LYS HD2 1 1 10 4126 1 1 15 LYS HD3 H -3.575 -3.397 -3.048 1.00 . A X . 15 LYS HD3 1 1 10 4127 1 1 15 LYS HE2 H -2.377 -5.062 -4.420 1.00 . A X . 15 LYS HE2 1 1 10 4128 1 1 15 LYS HE3 H -1.297 -3.904 -3.645 1.00 . A X . 15 LYS HE3 1 1 10 4129 1 1 15 LYS HG2 H -1.890 -3.083 -1.308 1.00 . A X . 15 LYS HG2 1 1 10 4130 1 1 15 LYS HG3 H -2.152 -4.736 -0.750 1.00 . A X . 15 LYS HG3 1 1 10 4131 1 1 15 LYS HZ1 H -1.877 -6.599 -2.542 1.00 . A X . 15 LYS HZ1 1 1 10 4132 1 1 15 LYS HZ2 H -0.686 -5.513 -2.022 1.00 . A X . 15 LYS HZ2 1 1 10 4133 1 1 15 LYS HZ3 H -0.548 -6.258 -3.534 1.00 . A X . 15 LYS HZ3 1 1 10 4134 1 1 15 LYS N N -3.376 -1.079 -1.012 1.00 . A X . 15 LYS N 1 1 10 4135 1 1 15 LYS NZ N -1.217 -5.852 -2.854 1.00 . A X . 15 LYS NZ 1 1 10 4136 1 1 15 LYS O O -6.642 -1.698 -0.026 1.00 . A X . 15 LYS O 1 1 10 4137 1 1 16 ALA C C -6.740 0.308 2.236 1.00 . A X . 16 ALA C 1 1 10 4138 1 1 16 ALA CA C -5.840 -0.887 2.508 1.00 . A X . 16 ALA CA 1 1 10 4139 1 1 16 ALA CB C -5.021 -0.661 3.772 1.00 . A X . 16 ALA CB 1 1 10 4140 1 1 16 ALA H H -3.995 -1.024 1.469 1.00 . A X . 16 ALA H 1 1 10 4141 1 1 16 ALA HA H -6.465 -1.754 2.669 1.00 . A X . 16 ALA HA 1 1 10 4142 1 1 16 ALA HB1 H -5.686 -0.498 4.608 1.00 . A X . 16 ALA HB1 1 1 10 4143 1 1 16 ALA HB2 H -4.387 0.204 3.643 1.00 . A X . 16 ALA HB2 1 1 10 4144 1 1 16 ALA HB3 H -4.409 -1.530 3.962 1.00 . A X . 16 ALA HB3 1 1 10 4145 1 1 16 ALA N N -4.962 -1.180 1.380 1.00 . A X . 16 ALA N 1 1 10 4146 1 1 16 ALA O O -7.893 0.334 2.669 1.00 . A X . 16 ALA O 1 1 10 4147 1 1 17 LEU C C -7.875 2.297 0.014 1.00 . A X . 17 LEU C 1 1 10 4148 1 1 17 LEU CA C -6.977 2.493 1.224 1.00 . A X . 17 LEU CA 1 1 10 4149 1 1 17 LEU CB C -6.041 3.692 1.012 1.00 . A X . 17 LEU CB 1 1 10 4150 1 1 17 LEU CD1 C -6.664 4.877 3.138 1.00 . A X . 17 LEU CD1 1 1 10 4151 1 1 17 LEU CD2 C -4.649 3.407 3.097 1.00 . A X . 17 LEU CD2 1 1 10 4152 1 1 17 LEU CG C -5.513 4.362 2.290 1.00 . A X . 17 LEU CG 1 1 10 4153 1 1 17 LEU H H -5.328 1.175 1.119 1.00 . A X . 17 LEU H 1 1 10 4154 1 1 17 LEU HA H -7.602 2.690 2.084 1.00 . A X . 17 LEU HA 1 1 10 4155 1 1 17 LEU HB2 H -5.193 3.357 0.434 1.00 . A X . 17 LEU HB2 1 1 10 4156 1 1 17 LEU HB3 H -6.572 4.437 0.439 1.00 . A X . 17 LEU HB3 1 1 10 4157 1 1 17 LEU HD11 H -6.271 5.376 4.010 1.00 . A X . 17 LEU HD11 1 1 10 4158 1 1 17 LEU HD12 H -7.284 4.049 3.446 1.00 . A X . 17 LEU HD12 1 1 10 4159 1 1 17 LEU HD13 H -7.253 5.574 2.560 1.00 . A X . 17 LEU HD13 1 1 10 4160 1 1 17 LEU HD21 H -5.232 2.539 3.372 1.00 . A X . 17 LEU HD21 1 1 10 4161 1 1 17 LEU HD22 H -4.300 3.904 3.991 1.00 . A X . 17 LEU HD22 1 1 10 4162 1 1 17 LEU HD23 H -3.804 3.098 2.502 1.00 . A X . 17 LEU HD23 1 1 10 4163 1 1 17 LEU HG H -4.902 5.209 2.014 1.00 . A X . 17 LEU HG 1 1 10 4164 1 1 17 LEU N N -6.225 1.281 1.500 1.00 . A X . 17 LEU N 1 1 10 4165 1 1 17 LEU O O -8.802 3.071 -0.209 1.00 . A X . 17 LEU O 1 1 10 4166 1 1 18 ALA C C -9.655 0.136 -1.462 1.00 . A X . 18 ALA C 1 1 10 4167 1 1 18 ALA CA C -8.422 0.916 -1.905 1.00 . A X . 18 ALA CA 1 1 10 4168 1 1 18 ALA CB C -7.624 0.120 -2.929 1.00 . A X . 18 ALA CB 1 1 10 4169 1 1 18 ALA H H -6.814 0.697 -0.553 1.00 . A X . 18 ALA H 1 1 10 4170 1 1 18 ALA HA H -8.735 1.842 -2.365 1.00 . A X . 18 ALA HA 1 1 10 4171 1 1 18 ALA HB1 H -8.238 -0.070 -3.798 1.00 . A X . 18 ALA HB1 1 1 10 4172 1 1 18 ALA HB2 H -7.317 -0.818 -2.495 1.00 . A X . 18 ALA HB2 1 1 10 4173 1 1 18 ALA HB3 H -6.751 0.684 -3.222 1.00 . A X . 18 ALA HB3 1 1 10 4174 1 1 18 ALA N N -7.597 1.251 -0.757 1.00 . A X . 18 ALA N 1 1 10 4175 1 1 18 ALA O O -10.772 0.413 -1.906 1.00 . A X . 18 ALA O 1 1 10 4176 1 1 19 LEU C C -11.541 -0.811 0.733 1.00 . A X . 19 LEU C 1 1 10 4177 1 1 19 LEU CA C -10.542 -1.648 -0.060 1.00 . A X . 19 LEU CA 1 1 10 4178 1 1 19 LEU CB C -9.999 -2.789 0.805 1.00 . A X . 19 LEU CB 1 1 10 4179 1 1 19 LEU CD1 C -8.595 -4.858 1.022 1.00 . A X . 19 LEU CD1 1 1 10 4180 1 1 19 LEU CD2 C -9.897 -4.456 -1.069 1.00 . A X . 19 LEU CD2 1 1 10 4181 1 1 19 LEU CG C -9.120 -3.802 0.064 1.00 . A X . 19 LEU CG 1 1 10 4182 1 1 19 LEU H H -8.534 -0.973 -0.219 1.00 . A X . 19 LEU H 1 1 10 4183 1 1 19 LEU HA H -11.050 -2.071 -0.913 1.00 . A X . 19 LEU HA 1 1 10 4184 1 1 19 LEU HB2 H -9.417 -2.359 1.610 1.00 . A X . 19 LEU HB2 1 1 10 4185 1 1 19 LEU HB3 H -10.836 -3.319 1.234 1.00 . A X . 19 LEU HB3 1 1 10 4186 1 1 19 LEU HD11 H -7.997 -5.572 0.475 1.00 . A X . 19 LEU HD11 1 1 10 4187 1 1 19 LEU HD12 H -9.427 -5.366 1.487 1.00 . A X . 19 LEU HD12 1 1 10 4188 1 1 19 LEU HD13 H -7.990 -4.386 1.781 1.00 . A X . 19 LEU HD13 1 1 10 4189 1 1 19 LEU HD21 H -9.255 -5.151 -1.590 1.00 . A X . 19 LEU HD21 1 1 10 4190 1 1 19 LEU HD22 H -10.237 -3.696 -1.757 1.00 . A X . 19 LEU HD22 1 1 10 4191 1 1 19 LEU HD23 H -10.748 -4.983 -0.664 1.00 . A X . 19 LEU HD23 1 1 10 4192 1 1 19 LEU HG H -8.272 -3.287 -0.363 1.00 . A X . 19 LEU HG 1 1 10 4193 1 1 19 LEU N N -9.449 -0.819 -0.558 1.00 . A X . 19 LEU N 1 1 10 4194 1 1 19 LEU O O -12.727 -1.141 0.807 1.00 . A X . 19 LEU O 1 1 10 4195 1 1 20 LYS C C -12.102 2.509 1.315 1.00 . A X . 20 LYS C 1 1 10 4196 1 1 20 LYS CA C -11.920 1.191 2.051 1.00 . A X . 20 LYS CA 1 1 10 4197 1 1 20 LYS CB C -11.386 1.446 3.460 1.00 . A X . 20 LYS CB 1 1 10 4198 1 1 20 LYS CD C -11.475 0.700 5.851 1.00 . A X . 20 LYS CD 1 1 10 4199 1 1 20 LYS CE C -11.943 -0.395 6.796 1.00 . A X . 20 LYS CE 1 1 10 4200 1 1 20 LYS CG C -11.610 0.278 4.403 1.00 . A X . 20 LYS CG 1 1 10 4201 1 1 20 LYS H H -10.099 0.475 1.248 1.00 . A X . 20 LYS H 1 1 10 4202 1 1 20 LYS HA H -12.886 0.717 2.136 1.00 . A X . 20 LYS HA 1 1 10 4203 1 1 20 LYS HB2 H -10.327 1.643 3.403 1.00 . A X . 20 LYS HB2 1 1 10 4204 1 1 20 LYS HB3 H -11.886 2.312 3.871 1.00 . A X . 20 LYS HB3 1 1 10 4205 1 1 20 LYS HD2 H -10.438 0.924 6.059 1.00 . A X . 20 LYS HD2 1 1 10 4206 1 1 20 LYS HD3 H -12.075 1.583 6.012 1.00 . A X . 20 LYS HD3 1 1 10 4207 1 1 20 LYS HE2 H -11.315 -1.264 6.664 1.00 . A X . 20 LYS HE2 1 1 10 4208 1 1 20 LYS HE3 H -11.851 -0.039 7.812 1.00 . A X . 20 LYS HE3 1 1 10 4209 1 1 20 LYS HG2 H -12.602 -0.116 4.245 1.00 . A X . 20 LYS HG2 1 1 10 4210 1 1 20 LYS HG3 H -10.878 -0.488 4.191 1.00 . A X . 20 LYS HG3 1 1 10 4211 1 1 20 LYS HZ1 H -13.448 -1.254 5.618 1.00 . A X . 20 LYS HZ1 1 1 10 4212 1 1 20 LYS HZ2 H -13.972 0.069 6.543 1.00 . A X . 20 LYS HZ2 1 1 10 4213 1 1 20 LYS HZ3 H -13.694 -1.430 7.289 1.00 . A X . 20 LYS HZ3 1 1 10 4214 1 1 20 LYS N N -11.057 0.279 1.315 1.00 . A X . 20 LYS N 1 1 10 4215 1 1 20 LYS NZ N -13.361 -0.780 6.545 1.00 . A X . 20 LYS NZ 1 1 10 4216 1 1 20 LYS O O -12.399 3.537 1.924 1.00 . A X . 20 LYS O 1 1 10 4217 1 1 21 LEU C C -13.640 3.711 -1.211 1.00 . A X . 21 LEU C 1 1 10 4218 1 1 21 LEU CA C -12.168 3.651 -0.822 1.00 . A X . 21 LEU CA 1 1 10 4219 1 1 21 LEU CB C -11.296 3.615 -2.079 1.00 . A X . 21 LEU CB 1 1 10 4220 1 1 21 LEU CD1 C -10.961 6.095 -2.300 1.00 . A X . 21 LEU CD1 1 1 10 4221 1 1 21 LEU CD2 C -10.629 4.607 -4.279 1.00 . A X . 21 LEU CD2 1 1 10 4222 1 1 21 LEU CG C -11.423 4.827 -3.003 1.00 . A X . 21 LEU CG 1 1 10 4223 1 1 21 LEU H H -11.622 1.644 -0.422 1.00 . A X . 21 LEU H 1 1 10 4224 1 1 21 LEU HA H -11.921 4.527 -0.241 1.00 . A X . 21 LEU HA 1 1 10 4225 1 1 21 LEU HB2 H -10.264 3.529 -1.772 1.00 . A X . 21 LEU HB2 1 1 10 4226 1 1 21 LEU HB3 H -11.558 2.732 -2.645 1.00 . A X . 21 LEU HB3 1 1 10 4227 1 1 21 LEU HD11 H -9.918 6.000 -2.038 1.00 . A X . 21 LEU HD11 1 1 10 4228 1 1 21 LEU HD12 H -11.545 6.241 -1.402 1.00 . A X . 21 LEU HD12 1 1 10 4229 1 1 21 LEU HD13 H -11.094 6.939 -2.958 1.00 . A X . 21 LEU HD13 1 1 10 4230 1 1 21 LEU HD21 H -9.587 4.465 -4.033 1.00 . A X . 21 LEU HD21 1 1 10 4231 1 1 21 LEU HD22 H -10.733 5.468 -4.921 1.00 . A X . 21 LEU HD22 1 1 10 4232 1 1 21 LEU HD23 H -11.002 3.730 -4.787 1.00 . A X . 21 LEU HD23 1 1 10 4233 1 1 21 LEU HG H -12.462 4.957 -3.273 1.00 . A X . 21 LEU HG 1 1 10 4234 1 1 21 LEU N N -11.925 2.476 0.003 1.00 . A X . 21 LEU N 1 1 10 4235 1 1 21 LEU O O -14.284 4.755 -1.113 1.00 . A X . 21 LEU O 1 1 10 4236 1 1 22 LYS C C -16.416 1.800 -0.986 1.00 . A X . 22 LYS C 1 1 10 4237 1 1 22 LYS CA C -15.560 2.471 -2.057 1.00 . A X . 22 LYS CA 1 1 10 4238 1 1 22 LYS CB C -15.653 1.712 -3.384 1.00 . A X . 22 LYS CB 1 1 10 4239 1 1 22 LYS CD C -14.848 -0.191 -4.810 1.00 . A X . 22 LYS CD 1 1 10 4240 1 1 22 LYS CE C -13.798 -1.282 -4.963 1.00 . A X . 22 LYS CE 1 1 10 4241 1 1 22 LYS CG C -14.794 0.458 -3.438 1.00 . A X . 22 LYS CG 1 1 10 4242 1 1 22 LYS H H -13.605 1.767 -1.653 1.00 . A X . 22 LYS H 1 1 10 4243 1 1 22 LYS HA H -15.924 3.477 -2.205 1.00 . A X . 22 LYS HA 1 1 10 4244 1 1 22 LYS HB2 H -16.681 1.423 -3.546 1.00 . A X . 22 LYS HB2 1 1 10 4245 1 1 22 LYS HB3 H -15.343 2.371 -4.182 1.00 . A X . 22 LYS HB3 1 1 10 4246 1 1 22 LYS HD2 H -15.827 -0.626 -4.953 1.00 . A X . 22 LYS HD2 1 1 10 4247 1 1 22 LYS HD3 H -14.677 0.567 -5.560 1.00 . A X . 22 LYS HD3 1 1 10 4248 1 1 22 LYS HE2 H -13.830 -1.653 -5.975 1.00 . A X . 22 LYS HE2 1 1 10 4249 1 1 22 LYS HE3 H -12.826 -0.854 -4.769 1.00 . A X . 22 LYS HE3 1 1 10 4250 1 1 22 LYS HG2 H -13.772 0.725 -3.216 1.00 . A X . 22 LYS HG2 1 1 10 4251 1 1 22 LYS HG3 H -15.152 -0.246 -2.702 1.00 . A X . 22 LYS HG3 1 1 10 4252 1 1 22 LYS HZ1 H -13.993 -2.090 -3.040 1.00 . A X . 22 LYS HZ1 1 1 10 4253 1 1 22 LYS HZ2 H -13.271 -3.137 -4.163 1.00 . A X . 22 LYS HZ2 1 1 10 4254 1 1 22 LYS HZ3 H -14.944 -2.864 -4.216 1.00 . A X . 22 LYS HZ3 1 1 10 4255 1 1 22 LYS N N -14.167 2.568 -1.629 1.00 . A X . 22 LYS N 1 1 10 4256 1 1 22 LYS NZ N -14.017 -2.421 -4.030 1.00 . A X . 22 LYS NZ 1 1 10 4257 1 1 22 LYS O O -17.572 1.457 -1.227 1.00 . A X . 22 LYS O 1 1 10 4258 1 1 23 LYS C C -15.842 1.426 2.633 1.00 . A X . 23 LYS C 1 1 10 4259 1 1 23 LYS CA C -16.558 1.076 1.336 1.00 . A X . 23 LYS CA 1 1 10 4260 1 1 23 LYS CB C -16.711 -0.443 1.227 1.00 . A X . 23 LYS CB 1 1 10 4261 1 1 23 LYS CD C -17.715 -2.533 2.211 1.00 . A X . 23 LYS CD 1 1 10 4262 1 1 23 LYS CE C -18.578 -3.092 3.333 1.00 . A X . 23 LYS CE 1 1 10 4263 1 1 23 LYS CG C -17.482 -1.045 2.389 1.00 . A X . 23 LYS CG 1 1 10 4264 1 1 23 LYS H H -14.897 1.877 0.306 1.00 . A X . 23 LYS H 1 1 10 4265 1 1 23 LYS HA H -17.539 1.526 1.351 1.00 . A X . 23 LYS HA 1 1 10 4266 1 1 23 LYS HB2 H -17.238 -0.677 0.312 1.00 . A X . 23 LYS HB2 1 1 10 4267 1 1 23 LYS HB3 H -15.731 -0.897 1.198 1.00 . A X . 23 LYS HB3 1 1 10 4268 1 1 23 LYS HD2 H -18.213 -2.700 1.268 1.00 . A X . 23 LYS HD2 1 1 10 4269 1 1 23 LYS HD3 H -16.762 -3.041 2.216 1.00 . A X . 23 LYS HD3 1 1 10 4270 1 1 23 LYS HE2 H -18.791 -4.131 3.128 1.00 . A X . 23 LYS HE2 1 1 10 4271 1 1 23 LYS HE3 H -18.033 -3.016 4.261 1.00 . A X . 23 LYS HE3 1 1 10 4272 1 1 23 LYS HG2 H -16.918 -0.888 3.297 1.00 . A X . 23 LYS HG2 1 1 10 4273 1 1 23 LYS HG3 H -18.436 -0.548 2.466 1.00 . A X . 23 LYS HG3 1 1 10 4274 1 1 23 LYS HZ1 H -20.489 -2.832 4.145 1.00 . A X . 23 LYS HZ1 1 1 10 4275 1 1 23 LYS HZ2 H -20.350 -2.301 2.540 1.00 . A X . 23 LYS HZ2 1 1 10 4276 1 1 23 LYS HZ3 H -19.686 -1.378 3.804 1.00 . A X . 23 LYS HZ3 1 1 10 4277 1 1 23 LYS N N -15.836 1.623 0.194 1.00 . A X . 23 LYS N 1 1 10 4278 1 1 23 LYS NZ N -19.865 -2.352 3.465 1.00 . A X . 23 LYS NZ 1 1 10 4279 1 1 23 LYS O O -14.715 0.996 2.864 1.00 . A X . 23 LYS O 1 1 10 4280 1 1 24 ALA C C -16.226 1.580 5.819 1.00 . A X . 24 ALA C 1 1 10 4281 1 1 24 ALA CA C -15.927 2.613 4.742 1.00 . A X . 24 ALA CA 1 1 10 4282 1 1 24 ALA CB C -16.451 3.982 5.151 1.00 . A X . 24 ALA CB 1 1 10 4283 1 1 24 ALA H H -17.409 2.497 3.239 1.00 . A X . 24 ALA H 1 1 10 4284 1 1 24 ALA HA H -14.857 2.685 4.614 1.00 . A X . 24 ALA HA 1 1 10 4285 1 1 24 ALA HB1 H -16.230 4.698 4.371 1.00 . A X . 24 ALA HB1 1 1 10 4286 1 1 24 ALA HB2 H -15.973 4.290 6.068 1.00 . A X . 24 ALA HB2 1 1 10 4287 1 1 24 ALA HB3 H -17.518 3.930 5.300 1.00 . A X . 24 ALA HB3 1 1 10 4288 1 1 24 ALA N N -16.502 2.203 3.472 1.00 . A X . 24 ALA N 1 1 10 4289 1 1 24 ALA O O -15.270 1.048 6.421 1.00 . A X . 24 ALA O 1 1 10 4290 1 1 24 ALA OXT O -17.420 1.287 6.044 1.00 . A X . 24 ALA OXT 1 1 stop_ save_
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