NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
531607 | 2l96 | 17438 | cing | 4-filtered-FRED | STAR | entry | full | 79 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2l96 # This FRED archive file contains, for PDB entry <2l96>: # # - 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_2l96 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2l96 _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_P7 A . 1 1 stop_ save_ save_LAK160_P7 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "LAK160 P7" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code KKLKLAPAKLALLWKALALKLKKA _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 PRO . 1 1 8 ALA . 1 1 9 LYS . 1 1 10 LEU . 1 1 11 ALA . 1 1 12 LEU . 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 PRO 7 7 1 1 ALA 8 8 1 1 LYS 9 9 1 1 LEU 10 10 1 1 ALA 11 11 1 1 LEU 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_3_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 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 2 LYS H . 2 . HN 1 1 3 1 2 1 1 3 LEU H . 3 . HN 1 1 4 1 1 1 1 2 LYS HA . 2 . HA 1 1 4 1 2 1 1 3 LEU H . 3 . HN 1 1 5 1 1 1 1 3 LEU H . 3 . HN 1 1 5 1 2 1 1 3 LEU HA . 3 . HA 1 1 6 1 1 1 1 3 LEU H . 3 . HN 1 1 6 1 2 1 1 4 LYS H . 4 . HN 1 1 7 1 1 1 1 3 LEU HA . 3 . HA 1 1 7 1 2 1 1 4 LYS H . 4 . HN 1 1 8 1 1 1 1 3 LEU HA . 3 . HA 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 5 LEU H . 5 . HN 1 1 12 1 2 1 1 5 LEU HA . 5 . HA 1 1 13 1 1 1 1 5 LEU H . 5 . HN 1 1 13 1 2 1 1 6 ALA H . 6 . HN 1 1 14 1 1 1 1 5 LEU HA . 5 . HA 1 1 14 1 2 1 1 6 ALA H . 6 . HN 1 1 15 1 1 1 1 6 ALA H . 6 . HN 1 1 15 1 2 1 1 7 PRO HD3 . 7 . HD2 1 1 16 1 1 1 1 6 ALA HA . 6 . HA 1 1 16 1 2 1 1 8 ALA H . 8 . HN 1 1 17 1 1 1 1 7 PRO HA . 7 . HA 1 1 17 1 2 1 1 8 ALA H . 8 . HN 1 1 18 1 1 1 1 7 PRO HA . 7 . HA 1 1 18 1 2 1 1 10 LEU H . 10 . HN 1 1 19 1 1 1 1 7 PRO HA . 7 . HA 1 1 19 1 2 1 1 11 ALA H . 11 . HN 1 1 20 1 1 1 1 7 PRO HD3 . 7 . HD2 1 1 20 1 2 1 1 8 ALA H . 8 . 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 8 ALA H . 8 . HN 1 1 23 1 2 1 1 10 LEU H . 10 . HN 1 1 24 1 1 1 1 8 ALA H . 8 . HN 1 1 24 1 2 1 1 11 ALA H . 11 . HN 1 1 25 1 1 1 1 9 LYS H . 9 . HN 1 1 25 1 2 1 1 9 LYS HA . 9 . HA 1 1 26 1 1 1 1 9 LYS H . 9 . HN 1 1 26 1 2 1 1 10 LEU H . 10 . HN 1 1 27 1 1 1 1 9 LYS HA . 9 . HA 1 1 27 1 2 1 1 10 LEU H . 10 . HN 1 1 28 1 1 1 1 10 LEU H . 10 . HN 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 LEU H . 12 . HN 1 1 31 1 1 1 1 12 LEU H . 12 . HN 1 1 31 1 2 1 1 12 LEU HA . 12 . HA 1 1 32 1 1 1 1 12 LEU H . 12 . HN 1 1 32 1 2 1 1 13 LEU H . 13 . HN 1 1 33 1 1 1 1 12 LEU H . 12 . HN 1 1 33 1 2 1 1 14 TRP H . 14 . HN 1 1 34 1 1 1 1 13 LEU H . 13 . HN 1 1 34 1 2 1 1 13 LEU HA . 13 . HA 1 1 35 1 1 1 1 13 LEU H . 13 . HN 1 1 35 1 2 1 1 14 TRP H . 14 . HN 1 1 36 1 1 1 1 13 LEU HA . 13 . HA 1 1 36 1 2 1 1 14 TRP H . 14 . HN 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 HA . 14 . HA 1 1 39 1 2 1 1 15 LYS H . 15 . HN 1 1 40 1 1 1 1 14 TRP HA . 14 . HA 1 1 40 1 2 1 1 17 LEU H . 17 . HN 1 1 41 1 1 1 1 14 TRP HA . 14 . HA 1 1 41 1 2 1 1 18 ALA H . 18 . HN 1 1 42 1 1 1 1 15 LYS H . 15 . HN 1 1 42 1 2 1 1 15 LYS HA . 15 . HA 1 1 43 1 1 1 1 15 LYS H . 15 . HN 1 1 43 1 2 1 1 17 LEU H . 17 . HN 1 1 44 1 1 1 1 15 LYS HA . 15 . HA 1 1 44 1 2 1 1 16 ALA H . 16 . HN 1 1 45 1 1 1 1 15 LYS HA . 15 . HA 1 1 45 1 2 1 1 17 LEU H . 17 . HN 1 1 46 1 1 1 1 15 LYS HA . 15 . HA 1 1 46 1 2 1 1 18 ALA H . 18 . HN 1 1 47 1 1 1 1 15 LYS HA . 15 . HA 1 1 47 1 2 1 1 19 LEU H . 19 . HN 1 1 48 1 1 1 1 16 ALA H . 16 . HN 1 1 48 1 2 1 1 16 ALA HA . 16 . HA 1 1 49 1 1 1 1 16 ALA H . 16 . HN 1 1 49 1 2 1 1 17 LEU H . 17 . HN 1 1 50 1 1 1 1 16 ALA HA . 16 . HA 1 1 50 1 2 1 1 17 LEU H . 17 . HN 1 1 51 1 1 1 1 16 ALA HA . 16 . HA 1 1 51 1 2 1 1 18 ALA H . 18 . HN 1 1 52 1 1 1 1 17 LEU H . 17 . HN 1 1 52 1 2 1 1 17 LEU HA . 17 . HA 1 1 53 1 1 1 1 17 LEU H . 17 . HN 1 1 53 1 2 1 1 18 ALA H . 18 . HN 1 1 54 1 1 1 1 17 LEU H . 17 . HN 1 1 54 1 2 1 1 18 ALA HA . 18 . HA 1 1 55 1 1 1 1 17 LEU H . 17 . HN 1 1 55 1 2 1 1 19 LEU H . 19 . HN 1 1 56 1 1 1 1 17 LEU HA . 17 . HA 1 1 56 1 2 1 1 18 ALA H . 18 . HN 1 1 57 1 1 1 1 17 LEU HA . 17 . HA 1 1 57 1 2 1 1 19 LEU H . 19 . HN 1 1 58 1 1 1 1 17 LEU HA . 17 . HA 1 1 58 1 2 1 1 20 LYS H . 20 . HN 1 1 59 1 1 1 1 18 ALA H . 18 . HN 1 1 59 1 2 1 1 18 ALA HA . 18 . HA 1 1 60 1 1 1 1 18 ALA H . 18 . HN 1 1 60 1 2 1 1 19 LEU H . 19 . HN 1 1 61 1 1 1 1 18 ALA H . 18 . HN 1 1 61 1 2 1 1 20 LYS H . 20 . HN 1 1 62 1 1 1 1 18 ALA HA . 18 . HA 1 1 62 1 2 1 1 19 LEU H . 19 . HN 1 1 63 1 1 1 1 18 ALA HA . 18 . HA 1 1 63 1 2 1 1 20 LYS H . 20 . HN 1 1 64 1 1 1 1 18 ALA HA . 18 . HA 1 1 64 1 2 1 1 21 LEU H . 21 . HN 1 1 65 1 1 1 1 18 ALA HA . 18 . HA 1 1 65 1 2 1 1 22 LYS H . 22 . HN 1 1 66 1 1 1 1 19 LEU H . 19 . HN 1 1 66 1 2 1 1 19 LEU HA . 19 . HA 1 1 67 1 1 1 1 19 LEU H . 19 . HN 1 1 67 1 2 1 1 20 LYS H . 20 . HN 1 1 68 1 1 1 1 19 LEU HA . 19 . HA 1 1 68 1 2 1 1 20 LYS H . 20 . HN 1 1 69 1 1 1 1 19 LEU HA . 19 . HA 1 1 69 1 2 1 1 22 LYS H . 22 . HN 1 1 70 1 1 1 1 20 LYS H . 20 . HN 1 1 70 1 2 1 1 20 LYS HA . 20 . HA 1 1 71 1 1 1 1 20 LYS H . 20 . HN 1 1 71 1 2 1 1 21 LEU H . 21 . HN 1 1 72 1 1 1 1 20 LYS H . 20 . HN 1 1 72 1 2 1 1 22 LYS H . 22 . HN 1 1 73 1 1 1 1 20 LYS HA . 20 . HA 1 1 73 1 2 1 1 23 LYS H . 23 . HN 1 1 74 1 1 1 1 21 LEU H . 21 . HN 1 1 74 1 2 1 1 21 LEU HA . 21 . HA 1 1 75 1 1 1 1 21 LEU H . 21 . HN 1 1 75 1 2 1 1 22 LYS H . 22 . 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 HA . 22 . HA 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 . . . . . 2.375 1.67 3.08 1 1 2 1 . . . . . 2.66 1.775 3.545 1 1 3 1 . . . . . 3.007 1.877 4.137 1 1 4 1 . . . . . 2.481 1.712 3.25 1 1 5 1 . . . . . 2.662 1.776 3.548 1 1 6 1 . . . . . 3.092 1.897 4.287 1 1 7 1 . . . . . 2.281 1.63 2.932 1 1 8 1 . . . . . 2.934 1.858 4.01 1 1 9 1 . . . . . 2.801 1.82 3.782 1 1 10 1 . . . . . 2.817 1.825 3.809 1 1 11 1 . . . . . 2.577 1.747 3.407 1 1 12 1 . . . . . 2.678 1.782 3.574 1 1 13 1 . . . . . 3.069 1.892 4.246 1 1 14 1 . . . . . 2.439 1.695 3.183 1 1 15 1 . . . . . 2.978 1.869 4.087 1 1 16 1 . . . . . 4.563 1.961 7.165 1 1 17 1 . . . . . 2.649 1.772 3.526 1 1 18 1 . . . . . 2.779 1.814 3.744 1 1 19 1 . . . . . 3.016 1.879 4.153 1 1 20 1 . . . . . 3.33 1.944 4.716 1 1 21 1 . . . . . 2.653 1.773 3.533 1 1 22 1 . . . . . 2.855 1.836 3.874 1 1 23 1 . . . . . 3.526 1.972 5.08 1 1 24 1 . . . . . 3.616 1.982 5.25 1 1 25 1 . . . . . 2.634 1.767 3.501 1 1 26 1 . . . . . 2.706 1.791 3.621 1 1 27 1 . . . . . 2.807 1.822 3.792 1 1 28 1 . . . . . 2.731 1.798 3.664 1 1 29 1 . . . . . 2.379 1.672 3.086 1 1 30 1 . . . . . 2.827 1.828 3.826 1 1 31 1 . . . . . 2.84 1.832 3.848 1 1 32 1 . . . . . 2.773 1.812 3.734 1 1 33 1 . . . . . 4.36 1.984 6.736 1 1 34 1 . . . . . 2.393 1.677 3.109 1 1 35 1 . . . . . 2.6 1.755 3.445 1 1 36 1 . . . . . 3.036 1.884 4.188 1 1 37 1 . . . . . 2.842 1.833 3.851 1 1 38 1 . . . . . 2.633 1.766 3.5 1 1 39 1 . . . . . 3.018 1.879 4.157 1 1 40 1 . . . . . 2.986 1.872 4.1 1 1 41 1 . . . . . 3.4 1.955 4.845 1 1 42 1 . . . . . 2.596 1.753 3.439 1 1 43 1 . . . . . 6.214 1.387 11.041 1 1 44 1 . . . . . 2.934 1.858 4.01 1 1 45 1 . . . . . 3.496 1.968 5.024 1 1 46 1 . . . . . 3.072 1.892 4.252 1 1 47 1 . . . . . 3.737 1.991 5.483 1 1 48 1 . . . . . 2.442 1.696 3.188 1 1 49 1 . . . . . 2.694 1.787 3.601 1 1 50 1 . . . . . 3.269 1.934 4.604 1 1 51 1 . . . . . 3.536 1.973 5.099 1 1 52 1 . . . . . 2.693 1.787 3.599 1 1 53 1 . . . . . 2.734 1.8 3.668 1 1 54 1 . . . . . 3.84 1.997 5.683 1 1 55 1 . . . . . 4.589 1.957 7.221 1 1 56 1 . . . . . 3.188 1.918 4.458 1 1 57 1 . . . . . 4.047 2.0 6.094 1 1 58 1 . . . . . 3.145 1.909 4.381 1 1 59 1 . . . . . 2.678 1.782 3.574 1 1 60 1 . . . . . 2.801 1.82 3.782 1 1 61 1 . . . . . 4.19 1.995 6.385 1 1 62 1 . . . . . 2.953 1.863 4.043 1 1 63 1 . . . . . 3.768 1.993 5.543 1 1 64 1 . . . . . 3.222 1.924 4.52 1 1 65 1 . . . . . 3.849 1.997 5.701 1 1 66 1 . . . . . 2.695 1.787 3.603 1 1 67 1 . . . . . 2.971 1.868 4.074 1 1 68 1 . . . . . 3.196 1.919 4.473 1 1 69 1 . . . . . 3.231 1.926 4.536 1 1 70 1 . . . . . 2.619 1.761 3.477 1 1 71 1 . . . . . 3.553 1.975 5.131 1 1 72 1 . . . . . 4.145 1.998 6.292 1 1 73 1 . . . . . 2.698 1.788 3.608 1 1 74 1 . . . . . 2.908 1.851 3.965 1 1 75 1 . . . . . 3.461 1.963 4.959 1 1 76 1 . . . . . 2.392 1.677 3.107 1 1 77 1 . . . . . 2.699 1.788 3.61 1 1 78 1 . . . . . 2.262 1.622 2.902 1 1 79 1 . . . . . 2.876 1.842 3.91 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 -5.326 27.082 -6.102 1.00 . A X . 1 LYS C 1 1 1 2 1 1 1 LYS CA C -5.079 27.607 -7.510 1.00 . A X . 1 LYS CA 1 1 1 3 1 1 1 LYS CB C -3.635 28.099 -7.626 1.00 . A X . 1 LYS CB 1 1 1 4 1 1 1 LYS CD C -1.810 29.014 -9.094 1.00 . A X . 1 LYS CD 1 1 1 5 1 1 1 LYS CE C -1.511 29.789 -10.365 1.00 . A X . 1 LYS CE 1 1 1 6 1 1 1 LYS CG C -3.286 28.660 -8.994 1.00 . A X . 1 LYS CG 1 1 1 7 1 1 1 LYS H1 H -5.826 29.068 -8.793 1.00 . A X . 1 LYS H1 1 1 1 8 1 1 1 LYS H2 H -5.950 29.465 -7.147 1.00 . A X . 1 LYS H2 1 1 1 9 1 1 1 LYS H3 H -7.004 28.330 -7.830 1.00 . A X . 1 LYS H3 1 1 1 10 1 1 1 LYS HA H -5.233 26.798 -8.212 1.00 . A X . 1 LYS HA 1 1 1 11 1 1 1 LYS HB2 H -3.475 28.876 -6.893 1.00 . A X . 1 LYS HB2 1 1 1 12 1 1 1 LYS HB3 H -2.968 27.275 -7.416 1.00 . A X . 1 LYS HB3 1 1 1 13 1 1 1 LYS HD2 H -1.536 29.621 -8.244 1.00 . A X . 1 LYS HD2 1 1 1 14 1 1 1 LYS HD3 H -1.231 28.102 -9.093 1.00 . A X . 1 LYS HD3 1 1 1 15 1 1 1 LYS HE2 H -0.445 29.945 -10.436 1.00 . A X . 1 LYS HE2 1 1 1 16 1 1 1 LYS HE3 H -1.848 29.213 -11.215 1.00 . A X . 1 LYS HE3 1 1 1 17 1 1 1 LYS HG2 H -3.520 27.920 -9.744 1.00 . A X . 1 LYS HG2 1 1 1 18 1 1 1 LYS HG3 H -3.875 29.551 -9.167 1.00 . A X . 1 LYS HG3 1 1 1 19 1 1 1 LYS HZ1 H -2.011 31.604 -11.278 1.00 . A X . 1 LYS HZ1 1 1 1 20 1 1 1 LYS HZ2 H -1.849 31.704 -9.594 1.00 . A X . 1 LYS HZ2 1 1 1 21 1 1 1 LYS HZ3 H -3.225 30.984 -10.268 1.00 . A X . 1 LYS HZ3 1 1 1 22 1 1 1 LYS N N -6.029 28.691 -7.843 1.00 . A X . 1 LYS N 1 1 1 23 1 1 1 LYS NZ N -2.197 31.110 -10.377 1.00 . A X . 1 LYS NZ 1 1 1 24 1 1 1 LYS O O -5.080 27.776 -5.113 1.00 . A X . 1 LYS O 1 1 1 25 1 1 2 LYS C C -5.856 23.694 -4.903 1.00 . A X . 2 LYS C 1 1 1 26 1 1 2 LYS CA C -6.026 25.200 -4.740 1.00 . A X . 2 LYS CA 1 1 1 27 1 1 2 LYS CB C -7.407 25.546 -4.177 1.00 . A X . 2 LYS CB 1 1 1 28 1 1 2 LYS CD C -8.970 25.425 -2.197 1.00 . A X . 2 LYS CD 1 1 1 29 1 1 2 LYS CE C -10.181 25.325 -3.117 1.00 . A X . 2 LYS CE 1 1 1 30 1 1 2 LYS CG C -7.704 24.880 -2.844 1.00 . A X . 2 LYS CG 1 1 1 31 1 1 2 LYS H H -6.046 25.371 -6.843 1.00 . A X . 2 LYS H 1 1 1 32 1 1 2 LYS HA H -5.269 25.557 -4.056 1.00 . A X . 2 LYS HA 1 1 1 33 1 1 2 LYS HB2 H -7.469 26.617 -4.040 1.00 . A X . 2 LYS HB2 1 1 1 34 1 1 2 LYS HB3 H -8.162 25.237 -4.889 1.00 . A X . 2 LYS HB3 1 1 1 35 1 1 2 LYS HD2 H -9.170 24.862 -1.298 1.00 . A X . 2 LYS HD2 1 1 1 36 1 1 2 LYS HD3 H -8.811 26.463 -1.942 1.00 . A X . 2 LYS HD3 1 1 1 37 1 1 2 LYS HE2 H -11.053 25.665 -2.579 1.00 . A X . 2 LYS HE2 1 1 1 38 1 1 2 LYS HE3 H -10.018 25.963 -3.973 1.00 . A X . 2 LYS HE3 1 1 1 39 1 1 2 LYS HG2 H -7.826 23.821 -3.003 1.00 . A X . 2 LYS HG2 1 1 1 40 1 1 2 LYS HG3 H -6.870 25.052 -2.177 1.00 . A X . 2 LYS HG3 1 1 1 41 1 1 2 LYS HZ1 H -9.812 23.267 -3.069 1.00 . A X . 2 LYS HZ1 1 1 1 42 1 1 2 LYS HZ2 H -10.208 23.863 -4.605 1.00 . A X . 2 LYS HZ2 1 1 1 43 1 1 2 LYS HZ3 H -11.419 23.670 -3.432 1.00 . A X . 2 LYS HZ3 1 1 1 44 1 1 2 LYS N N -5.813 25.855 -6.017 1.00 . A X . 2 LYS N 1 1 1 45 1 1 2 LYS NZ N -10.420 23.936 -3.588 1.00 . A X . 2 LYS NZ 1 1 1 46 1 1 2 LYS O O -6.742 23.005 -5.415 1.00 . A X . 2 LYS O 1 1 1 47 1 1 3 LEU C C -4.971 20.942 -3.576 1.00 . A X . 3 LEU C 1 1 1 48 1 1 3 LEU CA C -4.343 21.805 -4.657 1.00 . A X . 3 LEU CA 1 1 1 49 1 1 3 LEU CB C -2.822 21.633 -4.641 1.00 . A X . 3 LEU CB 1 1 1 50 1 1 3 LEU CD1 C -0.577 22.127 -5.627 1.00 . A X . 3 LEU CD1 1 1 1 51 1 1 3 LEU CD2 C -2.549 21.808 -7.128 1.00 . A X . 3 LEU CD2 1 1 1 52 1 1 3 LEU CG C -2.075 22.328 -5.780 1.00 . A X . 3 LEU CG 1 1 1 53 1 1 3 LEU H H -4.068 23.795 -4.031 1.00 . A X . 3 LEU H 1 1 1 54 1 1 3 LEU HA H -4.720 21.486 -5.617 1.00 . A X . 3 LEU HA 1 1 1 55 1 1 3 LEU HB2 H -2.446 22.023 -3.707 1.00 . A X . 3 LEU HB2 1 1 1 56 1 1 3 LEU HB3 H -2.597 20.578 -4.686 1.00 . A X . 3 LEU HB3 1 1 1 57 1 1 3 LEU HD11 H -0.064 22.591 -6.456 1.00 . A X . 3 LEU HD11 1 1 1 58 1 1 3 LEU HD12 H -0.354 21.070 -5.610 1.00 . A X . 3 LEU HD12 1 1 1 59 1 1 3 LEU HD13 H -0.249 22.578 -4.702 1.00 . A X . 3 LEU HD13 1 1 1 60 1 1 3 LEU HD21 H -3.609 21.990 -7.229 1.00 . A X . 3 LEU HD21 1 1 1 61 1 1 3 LEU HD22 H -2.358 20.747 -7.194 1.00 . A X . 3 LEU HD22 1 1 1 62 1 1 3 LEU HD23 H -2.018 22.320 -7.917 1.00 . A X . 3 LEU HD23 1 1 1 63 1 1 3 LEU HG H -2.276 23.388 -5.739 1.00 . A X . 3 LEU HG 1 1 1 64 1 1 3 LEU N N -4.698 23.202 -4.486 1.00 . A X . 3 LEU N 1 1 1 65 1 1 3 LEU O O -4.768 21.165 -2.381 1.00 . A X . 3 LEU O 1 1 1 66 1 1 4 LYS C C -5.558 17.685 -3.127 1.00 . A X . 4 LYS C 1 1 1 67 1 1 4 LYS CA C -6.343 18.995 -3.109 1.00 . A X . 4 LYS CA 1 1 1 68 1 1 4 LYS CB C -7.795 18.745 -3.521 1.00 . A X . 4 LYS CB 1 1 1 69 1 1 4 LYS CD C -9.389 17.870 -5.261 1.00 . A X . 4 LYS CD 1 1 1 70 1 1 4 LYS CE C -9.505 17.161 -6.598 1.00 . A X . 4 LYS CE 1 1 1 71 1 1 4 LYS CG C -7.937 18.139 -4.909 1.00 . A X . 4 LYS CG 1 1 1 72 1 1 4 LYS H H -5.877 19.872 -4.980 1.00 . A X . 4 LYS H 1 1 1 73 1 1 4 LYS HA H -6.320 19.409 -2.113 1.00 . A X . 4 LYS HA 1 1 1 74 1 1 4 LYS HB2 H -8.247 18.068 -2.811 1.00 . A X . 4 LYS HB2 1 1 1 75 1 1 4 LYS HB3 H -8.332 19.684 -3.503 1.00 . A X . 4 LYS HB3 1 1 1 76 1 1 4 LYS HD2 H -9.825 17.247 -4.497 1.00 . A X . 4 LYS HD2 1 1 1 77 1 1 4 LYS HD3 H -9.919 18.810 -5.314 1.00 . A X . 4 LYS HD3 1 1 1 78 1 1 4 LYS HE2 H -9.062 17.785 -7.361 1.00 . A X . 4 LYS HE2 1 1 1 79 1 1 4 LYS HE3 H -8.962 16.228 -6.542 1.00 . A X . 4 LYS HE3 1 1 1 80 1 1 4 LYS HG2 H -7.522 18.825 -5.634 1.00 . A X . 4 LYS HG2 1 1 1 81 1 1 4 LYS HG3 H -7.390 17.209 -4.939 1.00 . A X . 4 LYS HG3 1 1 1 82 1 1 4 LYS HZ1 H -10.958 16.302 -7.828 1.00 . A X . 4 LYS HZ1 1 1 1 83 1 1 4 LYS HZ2 H -11.428 17.773 -7.140 1.00 . A X . 4 LYS HZ2 1 1 1 84 1 1 4 LYS HZ3 H -11.397 16.365 -6.189 1.00 . A X . 4 LYS HZ3 1 1 1 85 1 1 4 LYS N N -5.724 19.955 -4.012 1.00 . A X . 4 LYS N 1 1 1 86 1 1 4 LYS NZ N -10.918 16.880 -6.964 1.00 . A X . 4 LYS NZ 1 1 1 87 1 1 4 LYS O O -6.051 16.640 -2.705 1.00 . A X . 4 LYS O 1 1 1 88 1 1 5 LEU C C -3.015 16.062 -2.433 1.00 . A X . 5 LEU C 1 1 1 89 1 1 5 LEU CA C -3.488 16.584 -3.782 1.00 . A X . 5 LEU CA 1 1 1 90 1 1 5 LEU CB C -2.283 16.911 -4.667 1.00 . A X . 5 LEU CB 1 1 1 91 1 1 5 LEU CD1 C -1.355 17.713 -6.851 1.00 . A X . 5 LEU CD1 1 1 1 92 1 1 5 LEU CD2 C -3.345 16.202 -6.823 1.00 . A X . 5 LEU CD2 1 1 1 93 1 1 5 LEU CG C -2.619 17.326 -6.100 1.00 . A X . 5 LEU CG 1 1 1 94 1 1 5 LEU H H -3.979 18.631 -3.885 1.00 . A X . 5 LEU H 1 1 1 95 1 1 5 LEU HA H -4.075 15.816 -4.263 1.00 . A X . 5 LEU HA 1 1 1 96 1 1 5 LEU HB2 H -1.730 17.715 -4.204 1.00 . A X . 5 LEU HB2 1 1 1 97 1 1 5 LEU HB3 H -1.648 16.037 -4.710 1.00 . A X . 5 LEU HB3 1 1 1 98 1 1 5 LEU HD11 H -0.891 18.560 -6.368 1.00 . A X . 5 LEU HD11 1 1 1 99 1 1 5 LEU HD12 H -1.607 17.973 -7.871 1.00 . A X . 5 LEU HD12 1 1 1 100 1 1 5 LEU HD13 H -0.670 16.878 -6.851 1.00 . A X . 5 LEU HD13 1 1 1 101 1 1 5 LEU HD21 H -3.569 16.508 -7.835 1.00 . A X . 5 LEU HD21 1 1 1 102 1 1 5 LEU HD22 H -4.263 15.973 -6.303 1.00 . A X . 5 LEU HD22 1 1 1 103 1 1 5 LEU HD23 H -2.715 15.325 -6.844 1.00 . A X . 5 LEU HD23 1 1 1 104 1 1 5 LEU HG H -3.271 18.188 -6.077 1.00 . A X . 5 LEU HG 1 1 1 105 1 1 5 LEU N N -4.331 17.759 -3.626 1.00 . A X . 5 LEU N 1 1 1 106 1 1 5 LEU O O -2.174 16.676 -1.773 1.00 . A X . 5 LEU O 1 1 1 107 1 1 6 ALA C C -2.650 12.856 -1.110 1.00 . A X . 6 ALA C 1 1 1 108 1 1 6 ALA CA C -3.176 14.260 -0.804 1.00 . A X . 6 ALA CA 1 1 1 109 1 1 6 ALA CB C -4.345 14.200 0.171 1.00 . A X . 6 ALA CB 1 1 1 110 1 1 6 ALA H H -4.292 14.544 -2.575 1.00 . A X . 6 ALA H 1 1 1 111 1 1 6 ALA HA H -2.384 14.839 -0.349 1.00 . A X . 6 ALA HA 1 1 1 112 1 1 6 ALA HB1 H -4.037 13.686 1.072 1.00 . A X . 6 ALA HB1 1 1 1 113 1 1 6 ALA HB2 H -5.168 13.669 -0.283 1.00 . A X . 6 ALA HB2 1 1 1 114 1 1 6 ALA HB3 H -4.657 15.205 0.421 1.00 . A X . 6 ALA HB3 1 1 1 115 1 1 6 ALA N N -3.578 14.932 -2.032 1.00 . A X . 6 ALA N 1 1 1 116 1 1 6 ALA O O -3.366 11.863 -0.950 1.00 . A X . 6 ALA O 1 1 1 117 1 1 7 PRO C C -0.668 10.492 -0.798 1.00 . A X . 7 PRO C 1 1 1 118 1 1 7 PRO CA C -0.776 11.484 -1.952 1.00 . A X . 7 PRO CA 1 1 1 119 1 1 7 PRO CB C 0.618 11.882 -2.449 1.00 . A X . 7 PRO CB 1 1 1 120 1 1 7 PRO CD C -0.441 13.885 -1.697 1.00 . A X . 7 PRO CD 1 1 1 121 1 1 7 PRO CG C 0.892 13.203 -1.811 1.00 . A X . 7 PRO CG 1 1 1 122 1 1 7 PRO HA H -1.328 11.025 -2.758 1.00 . A X . 7 PRO HA 1 1 1 123 1 1 7 PRO HB2 H 1.338 11.137 -2.140 1.00 . A X . 7 PRO HB2 1 1 1 124 1 1 7 PRO HB3 H 0.609 11.958 -3.525 1.00 . A X . 7 PRO HB3 1 1 1 125 1 1 7 PRO HD2 H -0.465 14.524 -0.827 1.00 . A X . 7 PRO HD2 1 1 1 126 1 1 7 PRO HD3 H -0.653 14.455 -2.591 1.00 . A X . 7 PRO HD3 1 1 1 127 1 1 7 PRO HG2 H 1.322 13.058 -0.831 1.00 . A X . 7 PRO HG2 1 1 1 128 1 1 7 PRO HG3 H 1.557 13.783 -2.433 1.00 . A X . 7 PRO HG3 1 1 1 129 1 1 7 PRO N N -1.383 12.759 -1.554 1.00 . A X . 7 PRO N 1 1 1 130 1 1 7 PRO O O -0.739 9.281 -1.002 1.00 . A X . 7 PRO O 1 1 1 131 1 1 8 ALA C C -1.666 9.430 1.937 1.00 . A X . 8 ALA C 1 1 1 132 1 1 8 ALA CA C -0.364 10.148 1.590 1.00 . A X . 8 ALA CA 1 1 1 133 1 1 8 ALA CB C 0.129 10.964 2.779 1.00 . A X . 8 ALA CB 1 1 1 134 1 1 8 ALA H H -0.543 11.979 0.538 1.00 . A X . 8 ALA H 1 1 1 135 1 1 8 ALA HA H 0.390 9.405 1.359 1.00 . A X . 8 ALA HA 1 1 1 136 1 1 8 ALA HB1 H -0.648 11.643 3.093 1.00 . A X . 8 ALA HB1 1 1 1 137 1 1 8 ALA HB2 H 1.004 11.527 2.490 1.00 . A X . 8 ALA HB2 1 1 1 138 1 1 8 ALA HB3 H 0.380 10.301 3.594 1.00 . A X . 8 ALA HB3 1 1 1 139 1 1 8 ALA N N -0.530 11.001 0.420 1.00 . A X . 8 ALA N 1 1 1 140 1 1 8 ALA O O -1.673 8.479 2.715 1.00 . A X . 8 ALA O 1 1 1 141 1 1 9 LYS C C -4.452 8.262 0.561 1.00 . A X . 9 LYS C 1 1 1 142 1 1 9 LYS CA C -4.066 9.294 1.619 1.00 . A X . 9 LYS CA 1 1 1 143 1 1 9 LYS CB C -5.131 10.394 1.682 1.00 . A X . 9 LYS CB 1 1 1 144 1 1 9 LYS CD C -5.203 10.661 4.183 1.00 . A X . 9 LYS CD 1 1 1 145 1 1 9 LYS CE C -5.019 11.614 5.354 1.00 . A X . 9 LYS CE 1 1 1 146 1 1 9 LYS CG C -4.957 11.353 2.850 1.00 . A X . 9 LYS CG 1 1 1 147 1 1 9 LYS H H -2.692 10.627 0.709 1.00 . A X . 9 LYS H 1 1 1 148 1 1 9 LYS HA H -4.013 8.804 2.578 1.00 . A X . 9 LYS HA 1 1 1 149 1 1 9 LYS HB2 H -5.095 10.966 0.766 1.00 . A X . 9 LYS HB2 1 1 1 150 1 1 9 LYS HB3 H -6.104 9.932 1.767 1.00 . A X . 9 LYS HB3 1 1 1 151 1 1 9 LYS HD2 H -6.212 10.281 4.199 1.00 . A X . 9 LYS HD2 1 1 1 152 1 1 9 LYS HD3 H -4.506 9.842 4.284 1.00 . A X . 9 LYS HD3 1 1 1 153 1 1 9 LYS HE2 H -5.653 12.477 5.203 1.00 . A X . 9 LYS HE2 1 1 1 154 1 1 9 LYS HE3 H -5.314 11.109 6.261 1.00 . A X . 9 LYS HE3 1 1 1 155 1 1 9 LYS HG2 H -3.950 11.740 2.836 1.00 . A X . 9 LYS HG2 1 1 1 156 1 1 9 LYS HG3 H -5.658 12.165 2.744 1.00 . A X . 9 LYS HG3 1 1 1 157 1 1 9 LYS HZ1 H -3.331 12.638 4.660 1.00 . A X . 9 LYS HZ1 1 1 1 158 1 1 9 LYS HZ2 H -2.973 11.246 5.556 1.00 . A X . 9 LYS HZ2 1 1 1 159 1 1 9 LYS HZ3 H -3.499 12.652 6.349 1.00 . A X . 9 LYS HZ3 1 1 1 160 1 1 9 LYS N N -2.761 9.880 1.344 1.00 . A X . 9 LYS N 1 1 1 161 1 1 9 LYS NZ N -3.610 12.070 5.488 1.00 . A X . 9 LYS NZ 1 1 1 162 1 1 9 LYS O O -5.430 7.532 0.730 1.00 . A X . 9 LYS O 1 1 1 163 1 1 10 LEU C C -2.890 6.495 -2.151 1.00 . A X . 10 LEU C 1 1 1 164 1 1 10 LEU CA C -4.058 7.341 -1.648 1.00 . A X . 10 LEU CA 1 1 1 165 1 1 10 LEU CB C -4.596 8.193 -2.803 1.00 . A X . 10 LEU CB 1 1 1 166 1 1 10 LEU CD1 C -6.224 9.874 -3.690 1.00 . A X . 10 LEU CD1 1 1 1 167 1 1 10 LEU CD2 C -7.018 8.060 -2.159 1.00 . A X . 10 LEU CD2 1 1 1 168 1 1 10 LEU CG C -5.865 8.993 -2.503 1.00 . A X . 10 LEU CG 1 1 1 169 1 1 10 LEU H H -2.856 8.714 -0.559 1.00 . A X . 10 LEU H 1 1 1 170 1 1 10 LEU HA H -4.844 6.682 -1.312 1.00 . A X . 10 LEU HA 1 1 1 171 1 1 10 LEU HB2 H -3.822 8.890 -3.097 1.00 . A X . 10 LEU HB2 1 1 1 172 1 1 10 LEU HB3 H -4.800 7.540 -3.638 1.00 . A X . 10 LEU HB3 1 1 1 173 1 1 10 LEU HD11 H -5.434 10.590 -3.857 1.00 . A X . 10 LEU HD11 1 1 1 174 1 1 10 LEU HD12 H -7.146 10.399 -3.484 1.00 . A X . 10 LEU HD12 1 1 1 175 1 1 10 LEU HD13 H -6.348 9.263 -4.571 1.00 . A X . 10 LEU HD13 1 1 1 176 1 1 10 LEU HD21 H -7.909 8.640 -1.982 1.00 . A X . 10 LEU HD21 1 1 1 177 1 1 10 LEU HD22 H -6.771 7.499 -1.268 1.00 . A X . 10 LEU HD22 1 1 1 178 1 1 10 LEU HD23 H -7.189 7.376 -2.978 1.00 . A X . 10 LEU HD23 1 1 1 179 1 1 10 LEU HG H -5.688 9.636 -1.654 1.00 . A X . 10 LEU HG 1 1 1 180 1 1 10 LEU N N -3.685 8.191 -0.521 1.00 . A X . 10 LEU N 1 1 1 181 1 1 10 LEU O O -3.060 5.313 -2.450 1.00 . A X . 10 LEU O 1 1 1 182 1 1 11 ALA C C 0.381 5.769 -1.954 1.00 . A X . 11 ALA C 1 1 1 183 1 1 11 ALA CA C -0.579 6.469 -2.913 1.00 . A X . 11 ALA CA 1 1 1 184 1 1 11 ALA CB C 0.166 7.505 -3.735 1.00 . A X . 11 ALA CB 1 1 1 185 1 1 11 ALA H H -1.585 7.980 -1.821 1.00 . A X . 11 ALA H 1 1 1 186 1 1 11 ALA HA H -0.979 5.734 -3.597 1.00 . A X . 11 ALA HA 1 1 1 187 1 1 11 ALA HB1 H 0.607 8.238 -3.074 1.00 . A X . 11 ALA HB1 1 1 1 188 1 1 11 ALA HB2 H -0.524 7.994 -4.407 1.00 . A X . 11 ALA HB2 1 1 1 189 1 1 11 ALA HB3 H 0.942 7.019 -4.306 1.00 . A X . 11 ALA HB3 1 1 1 190 1 1 11 ALA N N -1.708 7.094 -2.232 1.00 . A X . 11 ALA N 1 1 1 191 1 1 11 ALA O O 1.441 5.298 -2.371 1.00 . A X . 11 ALA O 1 1 1 192 1 1 12 LEU C C 0.612 3.474 0.192 1.00 . A X . 12 LEU C 1 1 1 193 1 1 12 LEU CA C 0.859 4.974 0.285 1.00 . A X . 12 LEU CA 1 1 1 194 1 1 12 LEU CB C 0.633 5.471 1.717 1.00 . A X . 12 LEU CB 1 1 1 195 1 1 12 LEU CD1 C 1.098 7.161 3.506 1.00 . A X . 12 LEU CD1 1 1 1 196 1 1 12 LEU CD2 C 2.663 6.939 1.569 1.00 . A X . 12 LEU CD2 1 1 1 197 1 1 12 LEU CG C 1.212 6.855 2.023 1.00 . A X . 12 LEU CG 1 1 1 198 1 1 12 LEU H H -0.811 6.103 -0.386 1.00 . A X . 12 LEU H 1 1 1 199 1 1 12 LEU HA H 1.891 5.160 0.017 1.00 . A X . 12 LEU HA 1 1 1 200 1 1 12 LEU HB2 H -0.431 5.501 1.904 1.00 . A X . 12 LEU HB2 1 1 1 201 1 1 12 LEU HB3 H 1.081 4.761 2.398 1.00 . A X . 12 LEU HB3 1 1 1 202 1 1 12 LEU HD11 H 1.517 8.136 3.706 1.00 . A X . 12 LEU HD11 1 1 1 203 1 1 12 LEU HD12 H 1.639 6.413 4.069 1.00 . A X . 12 LEU HD12 1 1 1 204 1 1 12 LEU HD13 H 0.058 7.148 3.799 1.00 . A X . 12 LEU HD13 1 1 1 205 1 1 12 LEU HD21 H 3.053 7.924 1.782 1.00 . A X . 12 LEU HD21 1 1 1 206 1 1 12 LEU HD22 H 2.722 6.751 0.507 1.00 . A X . 12 LEU HD22 1 1 1 207 1 1 12 LEU HD23 H 3.248 6.202 2.097 1.00 . A X . 12 LEU HD23 1 1 1 208 1 1 12 LEU HG H 0.647 7.601 1.484 1.00 . A X . 12 LEU HG 1 1 1 209 1 1 12 LEU N N 0.026 5.689 -0.680 1.00 . A X . 12 LEU N 1 1 1 210 1 1 12 LEU O O 0.027 2.867 1.087 1.00 . A X . 12 LEU O 1 1 1 211 1 1 13 LEU C C 2.102 0.689 -0.636 1.00 . A X . 13 LEU C 1 1 1 212 1 1 13 LEU CA C 0.897 1.466 -1.155 1.00 . A X . 13 LEU CA 1 1 1 213 1 1 13 LEU CB C 0.708 1.208 -2.652 1.00 . A X . 13 LEU CB 1 1 1 214 1 1 13 LEU CD1 C -0.513 1.664 -4.791 1.00 . A X . 13 LEU CD1 1 1 1 215 1 1 13 LEU CD2 C -1.785 1.468 -2.651 1.00 . A X . 13 LEU CD2 1 1 1 216 1 1 13 LEU CG C -0.484 1.922 -3.294 1.00 . A X . 13 LEU CG 1 1 1 217 1 1 13 LEU H H 1.511 3.444 -1.589 1.00 . A X . 13 LEU H 1 1 1 218 1 1 13 LEU HA H 0.014 1.139 -0.626 1.00 . A X . 13 LEU HA 1 1 1 219 1 1 13 LEU HB2 H 1.606 1.520 -3.168 1.00 . A X . 13 LEU HB2 1 1 1 220 1 1 13 LEU HB3 H 0.582 0.145 -2.798 1.00 . A X . 13 LEU HB3 1 1 1 221 1 1 13 LEU HD11 H 0.403 2.025 -5.236 1.00 . A X . 13 LEU HD11 1 1 1 222 1 1 13 LEU HD12 H -1.354 2.180 -5.231 1.00 . A X . 13 LEU HD12 1 1 1 223 1 1 13 LEU HD13 H -0.607 0.603 -4.972 1.00 . A X . 13 LEU HD13 1 1 1 224 1 1 13 LEU HD21 H -1.747 1.660 -1.589 1.00 . A X . 13 LEU HD21 1 1 1 225 1 1 13 LEU HD22 H -1.921 0.411 -2.822 1.00 . A X . 13 LEU HD22 1 1 1 226 1 1 13 LEU HD23 H -2.610 2.012 -3.086 1.00 . A X . 13 LEU HD23 1 1 1 227 1 1 13 LEU HG H -0.386 2.987 -3.138 1.00 . A X . 13 LEU HG 1 1 1 228 1 1 13 LEU N N 1.062 2.892 -0.911 1.00 . A X . 13 LEU N 1 1 1 229 1 1 13 LEU O O 2.140 -0.539 -0.714 1.00 . A X . 13 LEU O 1 1 1 230 1 1 14 TRP C C 5.250 0.259 -0.576 1.00 . A X . 14 TRP C 1 1 1 231 1 1 14 TRP CA C 4.312 0.864 0.472 1.00 . A X . 14 TRP CA 1 1 1 232 1 1 14 TRP CB C 3.978 -0.165 1.553 1.00 . A X . 14 TRP CB 1 1 1 233 1 1 14 TRP CD1 C 3.801 1.284 3.658 1.00 . A X . 14 TRP CD1 1 1 1 234 1 1 14 TRP CD2 C 1.903 0.231 3.111 1.00 . A X . 14 TRP CD2 1 1 1 235 1 1 14 TRP CE2 C 1.677 0.988 4.273 1.00 . A X . 14 TRP CE2 1 1 1 236 1 1 14 TRP CE3 C 0.849 -0.519 2.579 1.00 . A X . 14 TRP CE3 1 1 1 237 1 1 14 TRP CG C 3.270 0.433 2.732 1.00 . A X . 14 TRP CG 1 1 1 238 1 1 14 TRP CH2 C -0.572 0.280 4.371 1.00 . A X . 14 TRP CH2 1 1 1 239 1 1 14 TRP CZ2 C 0.438 1.025 4.911 1.00 . A X . 14 TRP CZ2 1 1 1 240 1 1 14 TRP CZ3 C -0.379 -0.483 3.216 1.00 . A X . 14 TRP CZ3 1 1 1 241 1 1 14 TRP H H 2.994 2.404 -0.149 1.00 . A X . 14 TRP H 1 1 1 242 1 1 14 TRP HA H 4.838 1.686 0.939 1.00 . A X . 14 TRP HA 1 1 1 243 1 1 14 TRP HB2 H 3.342 -0.929 1.128 1.00 . A X . 14 TRP HB2 1 1 1 244 1 1 14 TRP HB3 H 4.893 -0.615 1.905 1.00 . A X . 14 TRP HB3 1 1 1 245 1 1 14 TRP HD1 H 4.822 1.634 3.649 1.00 . A X . 14 TRP HD1 1 1 1 246 1 1 14 TRP HE1 H 2.986 2.228 5.358 1.00 . A X . 14 TRP HE1 1 1 1 247 1 1 14 TRP HE3 H 0.978 -1.116 1.688 1.00 . A X . 14 TRP HE3 1 1 1 248 1 1 14 TRP HH2 H -1.548 0.273 4.835 1.00 . A X . 14 TRP HH2 1 1 1 249 1 1 14 TRP HZ2 H 0.272 1.610 5.803 1.00 . A X . 14 TRP HZ2 1 1 1 250 1 1 14 TRP HZ3 H -1.205 -1.059 2.823 1.00 . A X . 14 TRP HZ3 1 1 1 251 1 1 14 TRP N N 3.091 1.430 -0.126 1.00 . A X . 14 TRP N 1 1 1 252 1 1 14 TRP NE1 N 2.847 1.622 4.588 1.00 . A X . 14 TRP NE1 1 1 1 253 1 1 14 TRP O O 6.450 0.125 -0.333 1.00 . A X . 14 TRP O 1 1 1 254 1 1 15 LYS C C 6.507 0.514 -3.254 1.00 . A X . 15 LYS C 1 1 1 255 1 1 15 LYS CA C 5.521 -0.571 -2.845 1.00 . A X . 15 LYS CA 1 1 1 256 1 1 15 LYS CB C 4.628 -0.959 -4.022 1.00 . A X . 15 LYS CB 1 1 1 257 1 1 15 LYS CD C 2.841 -2.502 -4.902 1.00 . A X . 15 LYS CD 1 1 1 258 1 1 15 LYS CE C 2.142 -3.842 -4.712 1.00 . A X . 15 LYS CE 1 1 1 259 1 1 15 LYS CG C 3.807 -2.211 -3.764 1.00 . A X . 15 LYS CG 1 1 1 260 1 1 15 LYS H H 3.732 -0.077 -1.831 1.00 . A X . 15 LYS H 1 1 1 261 1 1 15 LYS HA H 6.073 -1.440 -2.515 1.00 . A X . 15 LYS HA 1 1 1 262 1 1 15 LYS HB2 H 3.949 -0.143 -4.226 1.00 . A X . 15 LYS HB2 1 1 1 263 1 1 15 LYS HB3 H 5.250 -1.128 -4.890 1.00 . A X . 15 LYS HB3 1 1 1 264 1 1 15 LYS HD2 H 2.096 -1.724 -4.938 1.00 . A X . 15 LYS HD2 1 1 1 265 1 1 15 LYS HD3 H 3.391 -2.523 -5.832 1.00 . A X . 15 LYS HD3 1 1 1 266 1 1 15 LYS HE2 H 1.398 -3.958 -5.488 1.00 . A X . 15 LYS HE2 1 1 1 267 1 1 15 LYS HE3 H 2.874 -4.631 -4.796 1.00 . A X . 15 LYS HE3 1 1 1 268 1 1 15 LYS HG2 H 4.476 -3.052 -3.654 1.00 . A X . 15 LYS HG2 1 1 1 269 1 1 15 LYS HG3 H 3.244 -2.077 -2.851 1.00 . A X . 15 LYS HG3 1 1 1 270 1 1 15 LYS HZ1 H 0.826 -3.130 -3.252 1.00 . A X . 15 LYS HZ1 1 1 1 271 1 1 15 LYS HZ2 H 2.185 -3.935 -2.626 1.00 . A X . 15 LYS HZ2 1 1 1 272 1 1 15 LYS HZ3 H 0.925 -4.818 -3.325 1.00 . A X . 15 LYS HZ3 1 1 1 273 1 1 15 LYS N N 4.708 -0.108 -1.730 1.00 . A X . 15 LYS N 1 1 1 274 1 1 15 LYS NZ N 1.474 -3.938 -3.388 1.00 . A X . 15 LYS NZ 1 1 1 275 1 1 15 LYS O O 6.176 1.702 -3.206 1.00 . A X . 15 LYS O 1 1 1 276 1 1 16 ALA C C 9.371 1.648 -2.656 1.00 . A X . 16 ALA C 1 1 1 277 1 1 16 ALA CA C 8.834 0.998 -3.928 1.00 . A X . 16 ALA CA 1 1 1 278 1 1 16 ALA CB C 8.441 2.060 -4.947 1.00 . A X . 16 ALA CB 1 1 1 279 1 1 16 ALA H H 7.867 -0.874 -3.712 1.00 . A X . 16 ALA H 1 1 1 280 1 1 16 ALA HA H 9.624 0.401 -4.362 1.00 . A X . 16 ALA HA 1 1 1 281 1 1 16 ALA HB1 H 9.304 2.663 -5.190 1.00 . A X . 16 ALA HB1 1 1 1 282 1 1 16 ALA HB2 H 7.668 2.689 -4.529 1.00 . A X . 16 ALA HB2 1 1 1 283 1 1 16 ALA HB3 H 8.072 1.581 -5.842 1.00 . A X . 16 ALA HB3 1 1 1 284 1 1 16 ALA N N 7.717 0.091 -3.629 1.00 . A X . 16 ALA N 1 1 1 285 1 1 16 ALA O O 10.573 1.627 -2.402 1.00 . A X . 16 ALA O 1 1 1 286 1 1 17 LEU C C 9.563 1.918 0.327 1.00 . A X . 17 LEU C 1 1 1 287 1 1 17 LEU CA C 8.826 2.871 -0.609 1.00 . A X . 17 LEU CA 1 1 1 288 1 1 17 LEU CB C 7.567 3.412 0.079 1.00 . A X . 17 LEU CB 1 1 1 289 1 1 17 LEU CD1 C 8.642 5.352 1.252 1.00 . A X . 17 LEU CD1 1 1 1 290 1 1 17 LEU CD2 C 6.470 4.438 2.079 1.00 . A X . 17 LEU CD2 1 1 1 291 1 1 17 LEU CG C 7.799 4.101 1.425 1.00 . A X . 17 LEU CG 1 1 1 292 1 1 17 LEU H H 7.522 2.175 -2.125 1.00 . A X . 17 LEU H 1 1 1 293 1 1 17 LEU HA H 9.475 3.701 -0.847 1.00 . A X . 17 LEU HA 1 1 1 294 1 1 17 LEU HB2 H 7.098 4.122 -0.587 1.00 . A X . 17 LEU HB2 1 1 1 295 1 1 17 LEU HB3 H 6.887 2.590 0.236 1.00 . A X . 17 LEU HB3 1 1 1 296 1 1 17 LEU HD11 H 9.609 5.081 0.856 1.00 . A X . 17 LEU HD11 1 1 1 297 1 1 17 LEU HD12 H 8.769 5.838 2.207 1.00 . A X . 17 LEU HD12 1 1 1 298 1 1 17 LEU HD13 H 8.150 6.027 0.567 1.00 . A X . 17 LEU HD13 1 1 1 299 1 1 17 LEU HD21 H 6.646 4.902 3.037 1.00 . A X . 17 LEU HD21 1 1 1 300 1 1 17 LEU HD22 H 5.897 3.532 2.215 1.00 . A X . 17 LEU HD22 1 1 1 301 1 1 17 LEU HD23 H 5.921 5.119 1.447 1.00 . A X . 17 LEU HD23 1 1 1 302 1 1 17 LEU HG H 8.335 3.426 2.081 1.00 . A X . 17 LEU HG 1 1 1 303 1 1 17 LEU N N 8.468 2.208 -1.856 1.00 . A X . 17 LEU N 1 1 1 304 1 1 17 LEU O O 10.743 2.112 0.616 1.00 . A X . 17 LEU O 1 1 1 305 1 1 18 ALA C C 10.633 -0.827 1.111 1.00 . A X . 18 ALA C 1 1 1 306 1 1 18 ALA CA C 9.446 -0.086 1.716 1.00 . A X . 18 ALA CA 1 1 1 307 1 1 18 ALA CB C 8.382 -1.073 2.180 1.00 . A X . 18 ALA CB 1 1 1 308 1 1 18 ALA H H 7.969 0.715 0.419 1.00 . A X . 18 ALA H 1 1 1 309 1 1 18 ALA HA H 9.785 0.473 2.579 1.00 . A X . 18 ALA HA 1 1 1 310 1 1 18 ALA HB1 H 7.564 -0.536 2.633 1.00 . A X . 18 ALA HB1 1 1 1 311 1 1 18 ALA HB2 H 8.809 -1.752 2.905 1.00 . A X . 18 ALA HB2 1 1 1 312 1 1 18 ALA HB3 H 8.019 -1.634 1.333 1.00 . A X . 18 ALA HB3 1 1 1 313 1 1 18 ALA N N 8.878 0.866 0.763 1.00 . A X . 18 ALA N 1 1 1 314 1 1 18 ALA O O 11.472 -1.370 1.828 1.00 . A X . 18 ALA O 1 1 1 315 1 1 19 LEU C C 13.054 -0.588 -0.798 1.00 . A X . 19 LEU C 1 1 1 316 1 1 19 LEU CA C 11.810 -1.459 -0.912 1.00 . A X . 19 LEU CA 1 1 1 317 1 1 19 LEU CB C 11.470 -1.710 -2.389 1.00 . A X . 19 LEU CB 1 1 1 318 1 1 19 LEU CD1 C 11.110 -4.170 -2.034 1.00 . A X . 19 LEU CD1 1 1 1 319 1 1 19 LEU CD2 C 9.129 -2.639 -2.187 1.00 . A X . 19 LEU CD2 1 1 1 320 1 1 19 LEU CG C 10.550 -2.904 -2.669 1.00 . A X . 19 LEU CG 1 1 1 321 1 1 19 LEU H H 9.980 -0.421 -0.731 1.00 . A X . 19 LEU H 1 1 1 322 1 1 19 LEU HA H 12.009 -2.407 -0.435 1.00 . A X . 19 LEU HA 1 1 1 323 1 1 19 LEU HB2 H 10.995 -0.824 -2.779 1.00 . A X . 19 LEU HB2 1 1 1 324 1 1 19 LEU HB3 H 12.394 -1.866 -2.926 1.00 . A X . 19 LEU HB3 1 1 1 325 1 1 19 LEU HD11 H 12.091 -4.374 -2.439 1.00 . A X . 19 LEU HD11 1 1 1 326 1 1 19 LEU HD12 H 10.453 -5.000 -2.248 1.00 . A X . 19 LEU HD12 1 1 1 327 1 1 19 LEU HD13 H 11.184 -4.036 -0.963 1.00 . A X . 19 LEU HD13 1 1 1 328 1 1 19 LEU HD21 H 8.732 -1.771 -2.692 1.00 . A X . 19 LEU HD21 1 1 1 329 1 1 19 LEU HD22 H 9.134 -2.463 -1.121 1.00 . A X . 19 LEU HD22 1 1 1 330 1 1 19 LEU HD23 H 8.509 -3.496 -2.407 1.00 . A X . 19 LEU HD23 1 1 1 331 1 1 19 LEU HG H 10.512 -3.063 -3.737 1.00 . A X . 19 LEU HG 1 1 1 332 1 1 19 LEU N N 10.697 -0.840 -0.214 1.00 . A X . 19 LEU N 1 1 1 333 1 1 19 LEU O O 14.108 -1.052 -0.374 1.00 . A X . 19 LEU O 1 1 1 334 1 1 20 LYS C C 14.410 1.953 0.358 1.00 . A X . 20 LYS C 1 1 1 335 1 1 20 LYS CA C 14.045 1.613 -1.081 1.00 . A X . 20 LYS CA 1 1 1 336 1 1 20 LYS CB C 13.748 2.884 -1.873 1.00 . A X . 20 LYS CB 1 1 1 337 1 1 20 LYS CD C 15.267 2.238 -3.759 1.00 . A X . 20 LYS CD 1 1 1 338 1 1 20 LYS CE C 15.385 1.992 -5.253 1.00 . A X . 20 LYS CE 1 1 1 339 1 1 20 LYS CG C 13.865 2.686 -3.372 1.00 . A X . 20 LYS CG 1 1 1 340 1 1 20 LYS H H 12.046 1.014 -1.455 1.00 . A X . 20 LYS H 1 1 1 341 1 1 20 LYS HA H 14.891 1.120 -1.534 1.00 . A X . 20 LYS HA 1 1 1 342 1 1 20 LYS HB2 H 12.744 3.210 -1.648 1.00 . A X . 20 LYS HB2 1 1 1 343 1 1 20 LYS HB3 H 14.444 3.652 -1.575 1.00 . A X . 20 LYS HB3 1 1 1 344 1 1 20 LYS HD2 H 15.969 3.006 -3.477 1.00 . A X . 20 LYS HD2 1 1 1 345 1 1 20 LYS HD3 H 15.500 1.324 -3.233 1.00 . A X . 20 LYS HD3 1 1 1 346 1 1 20 LYS HE2 H 15.131 2.900 -5.777 1.00 . A X . 20 LYS HE2 1 1 1 347 1 1 20 LYS HE3 H 16.406 1.721 -5.481 1.00 . A X . 20 LYS HE3 1 1 1 348 1 1 20 LYS HG2 H 13.156 1.934 -3.684 1.00 . A X . 20 LYS HG2 1 1 1 349 1 1 20 LYS HG3 H 13.644 3.621 -3.869 1.00 . A X . 20 LYS HG3 1 1 1 350 1 1 20 LYS HZ1 H 13.490 1.158 -5.522 1.00 . A X . 20 LYS HZ1 1 1 1 351 1 1 20 LYS HZ2 H 14.705 0.017 -5.196 1.00 . A X . 20 LYS HZ2 1 1 1 352 1 1 20 LYS HZ3 H 14.605 0.743 -6.731 1.00 . A X . 20 LYS HZ3 1 1 1 353 1 1 20 LYS N N 12.922 0.686 -1.144 1.00 . A X . 20 LYS N 1 1 1 354 1 1 20 LYS NZ N 14.484 0.903 -5.708 1.00 . A X . 20 LYS NZ 1 1 1 355 1 1 20 LYS O O 15.530 2.378 0.634 1.00 . A X . 20 LYS O 1 1 1 356 1 1 21 LEU C C 14.663 0.771 3.172 1.00 . A X . 21 LEU C 1 1 1 357 1 1 21 LEU CA C 13.763 1.907 2.694 1.00 . A X . 21 LEU CA 1 1 1 358 1 1 21 LEU CB C 12.467 1.948 3.509 1.00 . A X . 21 LEU CB 1 1 1 359 1 1 21 LEU CD1 C 10.306 3.095 4.063 1.00 . A X . 21 LEU CD1 1 1 1 360 1 1 21 LEU CD2 C 12.349 4.450 3.569 1.00 . A X . 21 LEU CD2 1 1 1 361 1 1 21 LEU CG C 11.587 3.172 3.253 1.00 . A X . 21 LEU CG 1 1 1 362 1 1 21 LEU H H 12.564 1.504 0.992 1.00 . A X . 21 LEU H 1 1 1 363 1 1 21 LEU HA H 14.287 2.844 2.821 1.00 . A X . 21 LEU HA 1 1 1 364 1 1 21 LEU HB2 H 11.894 1.062 3.277 1.00 . A X . 21 LEU HB2 1 1 1 365 1 1 21 LEU HB3 H 12.723 1.928 4.558 1.00 . A X . 21 LEU HB3 1 1 1 366 1 1 21 LEU HD11 H 9.689 3.955 3.846 1.00 . A X . 21 LEU HD11 1 1 1 367 1 1 21 LEU HD12 H 10.546 3.079 5.115 1.00 . A X . 21 LEU HD12 1 1 1 368 1 1 21 LEU HD13 H 9.769 2.194 3.803 1.00 . A X . 21 LEU HD13 1 1 1 369 1 1 21 LEU HD21 H 11.704 5.301 3.412 1.00 . A X . 21 LEU HD21 1 1 1 370 1 1 21 LEU HD22 H 13.209 4.526 2.918 1.00 . A X . 21 LEU HD22 1 1 1 371 1 1 21 LEU HD23 H 12.678 4.430 4.597 1.00 . A X . 21 LEU HD23 1 1 1 372 1 1 21 LEU HG H 11.316 3.193 2.207 1.00 . A X . 21 LEU HG 1 1 1 373 1 1 21 LEU N N 13.474 1.751 1.275 1.00 . A X . 21 LEU N 1 1 1 374 1 1 21 LEU O O 15.319 0.873 4.209 1.00 . A X . 21 LEU O 1 1 1 375 1 1 22 LYS C C 16.767 -1.322 1.645 1.00 . A X . 22 LYS C 1 1 1 376 1 1 22 LYS CA C 15.614 -1.414 2.636 1.00 . A X . 22 LYS CA 1 1 1 377 1 1 22 LYS CB C 14.914 -2.768 2.488 1.00 . A X . 22 LYS CB 1 1 1 378 1 1 22 LYS CD C 13.111 -4.331 3.258 1.00 . A X . 22 LYS CD 1 1 1 379 1 1 22 LYS CE C 11.952 -4.547 4.219 1.00 . A X . 22 LYS CE 1 1 1 380 1 1 22 LYS CG C 13.783 -2.982 3.476 1.00 . A X . 22 LYS CG 1 1 1 381 1 1 22 LYS H H 14.054 -0.377 1.650 1.00 . A X . 22 LYS H 1 1 1 382 1 1 22 LYS HA H 16.002 -1.317 3.639 1.00 . A X . 22 LYS HA 1 1 1 383 1 1 22 LYS HB2 H 14.510 -2.845 1.490 1.00 . A X . 22 LYS HB2 1 1 1 384 1 1 22 LYS HB3 H 15.642 -3.554 2.633 1.00 . A X . 22 LYS HB3 1 1 1 385 1 1 22 LYS HD2 H 12.737 -4.374 2.247 1.00 . A X . 22 LYS HD2 1 1 1 386 1 1 22 LYS HD3 H 13.841 -5.113 3.407 1.00 . A X . 22 LYS HD3 1 1 1 387 1 1 22 LYS HE2 H 11.559 -5.542 4.072 1.00 . A X . 22 LYS HE2 1 1 1 388 1 1 22 LYS HE3 H 12.323 -4.454 5.229 1.00 . A X . 22 LYS HE3 1 1 1 389 1 1 22 LYS HG2 H 14.180 -2.944 4.479 1.00 . A X . 22 LYS HG2 1 1 1 390 1 1 22 LYS HG3 H 13.051 -2.197 3.344 1.00 . A X . 22 LYS HG3 1 1 1 391 1 1 22 LYS HZ1 H 10.455 -3.664 3.057 1.00 . A X . 22 LYS HZ1 1 1 1 392 1 1 22 LYS HZ2 H 11.223 -2.589 4.126 1.00 . A X . 22 LYS HZ2 1 1 1 393 1 1 22 LYS HZ3 H 10.100 -3.716 4.713 1.00 . A X . 22 LYS HZ3 1 1 1 394 1 1 22 LYS N N 14.684 -0.315 2.401 1.00 . A X . 22 LYS N 1 1 1 395 1 1 22 LYS NZ N 10.859 -3.560 4.014 1.00 . A X . 22 LYS NZ 1 1 1 396 1 1 22 LYS O O 17.636 -2.190 1.597 1.00 . A X . 22 LYS O 1 1 1 397 1 1 23 LYS C C 17.712 -1.104 -1.242 1.00 . A X . 23 LYS C 1 1 1 398 1 1 23 LYS CA C 17.724 0.014 -0.191 1.00 . A X . 23 LYS CA 1 1 1 399 1 1 23 LYS CB C 19.126 0.206 0.402 1.00 . A X . 23 LYS CB 1 1 1 400 1 1 23 LYS CD C 21.488 1.030 0.047 1.00 . A X . 23 LYS CD 1 1 1 401 1 1 23 LYS CE C 22.055 -0.192 0.751 1.00 . A X . 23 LYS CE 1 1 1 402 1 1 23 LYS CG C 20.139 0.747 -0.597 1.00 . A X . 23 LYS CG 1 1 1 403 1 1 23 LYS H H 16.032 0.415 1.002 1.00 . A X . 23 LYS H 1 1 1 404 1 1 23 LYS HA H 17.430 0.934 -0.679 1.00 . A X . 23 LYS HA 1 1 1 405 1 1 23 LYS HB2 H 19.063 0.897 1.229 1.00 . A X . 23 LYS HB2 1 1 1 406 1 1 23 LYS HB3 H 19.482 -0.745 0.765 1.00 . A X . 23 LYS HB3 1 1 1 407 1 1 23 LYS HD2 H 22.182 1.342 -0.722 1.00 . A X . 23 LYS HD2 1 1 1 408 1 1 23 LYS HD3 H 21.368 1.826 0.766 1.00 . A X . 23 LYS HD3 1 1 1 409 1 1 23 LYS HE2 H 21.454 -0.397 1.623 1.00 . A X . 23 LYS HE2 1 1 1 410 1 1 23 LYS HE3 H 22.012 -1.036 0.077 1.00 . A X . 23 LYS HE3 1 1 1 411 1 1 23 LYS HG2 H 20.275 0.019 -1.384 1.00 . A X . 23 LYS HG2 1 1 1 412 1 1 23 LYS HG3 H 19.757 1.663 -1.019 1.00 . A X . 23 LYS HG3 1 1 1 413 1 1 23 LYS HZ1 H 23.794 -0.777 1.759 1.00 . A X . 23 LYS HZ1 1 1 1 414 1 1 23 LYS HZ2 H 23.550 0.902 1.731 1.00 . A X . 23 LYS HZ2 1 1 1 415 1 1 23 LYS HZ3 H 24.083 0.095 0.338 1.00 . A X . 23 LYS HZ3 1 1 1 416 1 1 23 LYS N N 16.742 -0.244 0.861 1.00 . A X . 23 LYS N 1 1 1 417 1 1 23 LYS NZ N 23.466 0.022 1.177 1.00 . A X . 23 LYS NZ 1 1 1 418 1 1 23 LYS O O 18.758 -1.595 -1.675 1.00 . A X . 23 LYS O 1 1 1 419 1 1 24 ALA C C 16.109 -1.785 -4.035 1.00 . A X . 24 ALA C 1 1 1 420 1 1 24 ALA CA C 16.347 -2.483 -2.702 1.00 . A X . 24 ALA CA 1 1 1 421 1 1 24 ALA CB C 15.198 -3.427 -2.384 1.00 . A X . 24 ALA CB 1 1 1 422 1 1 24 ALA H H 15.717 -1.133 -1.205 1.00 . A X . 24 ALA H 1 1 1 423 1 1 24 ALA HA H 17.258 -3.062 -2.766 1.00 . A X . 24 ALA HA 1 1 1 424 1 1 24 ALA HB1 H 15.381 -3.911 -1.436 1.00 . A X . 24 ALA HB1 1 1 1 425 1 1 24 ALA HB2 H 15.121 -4.173 -3.161 1.00 . A X . 24 ALA HB2 1 1 1 426 1 1 24 ALA HB3 H 14.278 -2.867 -2.331 1.00 . A X . 24 ALA HB3 1 1 1 427 1 1 24 ALA N N 16.515 -1.503 -1.642 1.00 . A X . 24 ALA N 1 1 1 428 1 1 24 ALA O O 14.982 -1.301 -4.266 1.00 . A X . 24 ALA O 1 1 1 429 1 1 24 ALA OXT O 17.057 -1.704 -4.842 1.00 . A X . 24 ALA OXT 1 1 2 430 1 1 1 LYS C C -13.150 -5.646 10.585 1.00 . A X . 1 LYS C 1 1 2 431 1 1 1 LYS CA C -14.639 -5.849 10.348 1.00 . A X . 1 LYS CA 1 1 2 432 1 1 1 LYS CB C -15.146 -7.039 11.168 1.00 . A X . 1 LYS CB 1 1 2 433 1 1 1 LYS CD C -17.099 -8.455 11.889 1.00 . A X . 1 LYS CD 1 1 2 434 1 1 1 LYS CE C -16.805 -8.250 13.363 1.00 . A X . 1 LYS CE 1 1 2 435 1 1 1 LYS CG C -16.648 -7.263 11.059 1.00 . A X . 1 LYS CG 1 1 2 436 1 1 1 LYS H1 H -15.921 -6.132 8.723 1.00 . A X . 1 LYS H1 1 1 2 437 1 1 1 LYS H2 H -14.442 -6.954 8.596 1.00 . A X . 1 LYS H2 1 1 2 438 1 1 1 LYS H3 H -14.503 -5.277 8.352 1.00 . A X . 1 LYS H3 1 1 2 439 1 1 1 LYS HA H -15.166 -4.957 10.654 1.00 . A X . 1 LYS HA 1 1 2 440 1 1 1 LYS HB2 H -14.644 -7.934 10.829 1.00 . A X . 1 LYS HB2 1 1 2 441 1 1 1 LYS HB3 H -14.903 -6.873 12.208 1.00 . A X . 1 LYS HB3 1 1 2 442 1 1 1 LYS HD2 H -18.162 -8.591 11.760 1.00 . A X . 1 LYS HD2 1 1 2 443 1 1 1 LYS HD3 H -16.577 -9.337 11.547 1.00 . A X . 1 LYS HD3 1 1 2 444 1 1 1 LYS HE2 H -15.745 -8.085 13.488 1.00 . A X . 1 LYS HE2 1 1 2 445 1 1 1 LYS HE3 H -17.346 -7.381 13.708 1.00 . A X . 1 LYS HE3 1 1 2 446 1 1 1 LYS HG2 H -17.161 -6.382 11.410 1.00 . A X . 1 LYS HG2 1 1 2 447 1 1 1 LYS HG3 H -16.901 -7.441 10.022 1.00 . A X . 1 LYS HG3 1 1 2 448 1 1 1 LYS HZ1 H -16.705 -10.276 13.842 1.00 . A X . 1 LYS HZ1 1 1 2 449 1 1 1 LYS HZ2 H -18.236 -9.587 14.091 1.00 . A X . 1 LYS HZ2 1 1 2 450 1 1 1 LYS HZ3 H -16.972 -9.267 15.178 1.00 . A X . 1 LYS HZ3 1 1 2 451 1 1 1 LYS N N -14.896 -6.068 8.907 1.00 . A X . 1 LYS N 1 1 2 452 1 1 1 LYS NZ N -17.208 -9.424 14.175 1.00 . A X . 1 LYS NZ 1 1 2 453 1 1 1 LYS O O -12.394 -6.615 10.700 1.00 . A X . 1 LYS O 1 1 2 454 1 1 2 LYS C C -10.461 -4.597 9.730 1.00 . A X . 2 LYS C 1 1 2 455 1 1 2 LYS CA C -11.335 -4.010 10.834 1.00 . A X . 2 LYS CA 1 1 2 456 1 1 2 LYS CB C -10.846 -4.466 12.212 1.00 . A X . 2 LYS CB 1 1 2 457 1 1 2 LYS CD C -11.131 -4.339 14.706 1.00 . A X . 2 LYS CD 1 1 2 458 1 1 2 LYS CE C -11.836 -3.632 15.853 1.00 . A X . 2 LYS CE 1 1 2 459 1 1 2 LYS CG C -11.572 -3.790 13.361 1.00 . A X . 2 LYS CG 1 1 2 460 1 1 2 LYS H H -13.403 -3.660 10.541 1.00 . A X . 2 LYS H 1 1 2 461 1 1 2 LYS HA H -11.272 -2.930 10.785 1.00 . A X . 2 LYS HA 1 1 2 462 1 1 2 LYS HB2 H -10.987 -5.535 12.299 1.00 . A X . 2 LYS HB2 1 1 2 463 1 1 2 LYS HB3 H -9.793 -4.242 12.295 1.00 . A X . 2 LYS HB3 1 1 2 464 1 1 2 LYS HD2 H -11.363 -5.392 14.750 1.00 . A X . 2 LYS HD2 1 1 2 465 1 1 2 LYS HD3 H -10.066 -4.197 14.809 1.00 . A X . 2 LYS HD3 1 1 2 466 1 1 2 LYS HE2 H -11.559 -2.588 15.840 1.00 . A X . 2 LYS HE2 1 1 2 467 1 1 2 LYS HE3 H -12.903 -3.723 15.715 1.00 . A X . 2 LYS HE3 1 1 2 468 1 1 2 LYS HG2 H -11.361 -2.733 13.331 1.00 . A X . 2 LYS HG2 1 1 2 469 1 1 2 LYS HG3 H -12.636 -3.950 13.247 1.00 . A X . 2 LYS HG3 1 1 2 470 1 1 2 LYS HZ1 H -10.429 -4.214 17.283 1.00 . A X . 2 LYS HZ1 1 1 2 471 1 1 2 LYS HZ2 H -11.822 -5.189 17.245 1.00 . A X . 2 LYS HZ2 1 1 2 472 1 1 2 LYS HZ3 H -11.885 -3.642 17.936 1.00 . A X . 2 LYS HZ3 1 1 2 473 1 1 2 LYS N N -12.737 -4.376 10.636 1.00 . A X . 2 LYS N 1 1 2 474 1 1 2 LYS NZ N -11.468 -4.211 17.169 1.00 . A X . 2 LYS NZ 1 1 2 475 1 1 2 LYS O O -9.440 -5.237 9.993 1.00 . A X . 2 LYS O 1 1 2 476 1 1 3 LEU C C -8.927 -4.014 7.015 1.00 . A X . 3 LEU C 1 1 2 477 1 1 3 LEU CA C -10.146 -4.881 7.330 1.00 . A X . 3 LEU CA 1 1 2 478 1 1 3 LEU CB C -11.072 -4.956 6.115 1.00 . A X . 3 LEU CB 1 1 2 479 1 1 3 LEU CD1 C -13.136 -5.870 5.023 1.00 . A X . 3 LEU CD1 1 1 2 480 1 1 3 LEU CD2 C -11.703 -7.362 6.432 1.00 . A X . 3 LEU CD2 1 1 2 481 1 1 3 LEU CG C -12.232 -5.947 6.244 1.00 . A X . 3 LEU CG 1 1 2 482 1 1 3 LEU H H -11.688 -3.846 8.347 1.00 . A X . 3 LEU H 1 1 2 483 1 1 3 LEU HA H -9.806 -5.876 7.570 1.00 . A X . 3 LEU HA 1 1 2 484 1 1 3 LEU HB2 H -11.483 -3.972 5.938 1.00 . A X . 3 LEU HB2 1 1 2 485 1 1 3 LEU HB3 H -10.481 -5.240 5.255 1.00 . A X . 3 LEU HB3 1 1 2 486 1 1 3 LEU HD11 H -12.570 -6.126 4.140 1.00 . A X . 3 LEU HD11 1 1 2 487 1 1 3 LEU HD12 H -13.524 -4.867 4.925 1.00 . A X . 3 LEU HD12 1 1 2 488 1 1 3 LEU HD13 H -13.956 -6.563 5.138 1.00 . A X . 3 LEU HD13 1 1 2 489 1 1 3 LEU HD21 H -12.532 -8.050 6.504 1.00 . A X . 3 LEU HD21 1 1 2 490 1 1 3 LEU HD22 H -11.116 -7.410 7.340 1.00 . A X . 3 LEU HD22 1 1 2 491 1 1 3 LEU HD23 H -11.085 -7.631 5.589 1.00 . A X . 3 LEU HD23 1 1 2 492 1 1 3 LEU HG H -12.822 -5.690 7.115 1.00 . A X . 3 LEU HG 1 1 2 493 1 1 3 LEU N N -10.870 -4.371 8.488 1.00 . A X . 3 LEU N 1 1 2 494 1 1 3 LEU O O -8.817 -3.440 5.934 1.00 . A X . 3 LEU O 1 1 2 495 1 1 4 LYS C C -5.709 -4.219 7.323 1.00 . A X . 4 LYS C 1 1 2 496 1 1 4 LYS CA C -6.764 -3.221 7.780 1.00 . A X . 4 LYS CA 1 1 2 497 1 1 4 LYS CB C -6.323 -2.545 9.084 1.00 . A X . 4 LYS CB 1 1 2 498 1 1 4 LYS CD C -4.579 -1.202 10.309 1.00 . A X . 4 LYS CD 1 1 2 499 1 1 4 LYS CE C -3.291 -0.406 10.187 1.00 . A X . 4 LYS CE 1 1 2 500 1 1 4 LYS CG C -5.054 -1.709 8.958 1.00 . A X . 4 LYS CG 1 1 2 501 1 1 4 LYS H H -8.225 -4.310 8.859 1.00 . A X . 4 LYS H 1 1 2 502 1 1 4 LYS HA H -6.903 -2.473 7.014 1.00 . A X . 4 LYS HA 1 1 2 503 1 1 4 LYS HB2 H -7.121 -1.899 9.424 1.00 . A X . 4 LYS HB2 1 1 2 504 1 1 4 LYS HB3 H -6.153 -3.308 9.828 1.00 . A X . 4 LYS HB3 1 1 2 505 1 1 4 LYS HD2 H -5.342 -0.571 10.736 1.00 . A X . 4 LYS HD2 1 1 2 506 1 1 4 LYS HD3 H -4.405 -2.048 10.956 1.00 . A X . 4 LYS HD3 1 1 2 507 1 1 4 LYS HE2 H -2.555 -1.012 9.684 1.00 . A X . 4 LYS HE2 1 1 2 508 1 1 4 LYS HE3 H -3.486 0.482 9.603 1.00 . A X . 4 LYS HE3 1 1 2 509 1 1 4 LYS HG2 H -4.275 -2.319 8.524 1.00 . A X . 4 LYS HG2 1 1 2 510 1 1 4 LYS HG3 H -5.252 -0.864 8.314 1.00 . A X . 4 LYS HG3 1 1 2 511 1 1 4 LYS HZ1 H -1.889 0.560 11.399 1.00 . A X . 4 LYS HZ1 1 1 2 512 1 1 4 LYS HZ2 H -2.538 -0.854 12.082 1.00 . A X . 4 LYS HZ2 1 1 2 513 1 1 4 LYS HZ3 H -3.467 0.564 12.028 1.00 . A X . 4 LYS HZ3 1 1 2 514 1 1 4 LYS N N -8.027 -3.913 7.980 1.00 . A X . 4 LYS N 1 1 2 515 1 1 4 LYS NZ N -2.760 -0.007 11.515 1.00 . A X . 4 LYS NZ 1 1 2 516 1 1 4 LYS O O -4.679 -3.858 6.760 1.00 . A X . 4 LYS O 1 1 2 517 1 1 5 LEU C C -5.286 -7.052 5.804 1.00 . A X . 5 LEU C 1 1 2 518 1 1 5 LEU CA C -5.069 -6.560 7.231 1.00 . A X . 5 LEU CA 1 1 2 519 1 1 5 LEU CB C -5.244 -7.710 8.223 1.00 . A X . 5 LEU CB 1 1 2 520 1 1 5 LEU CD1 C -5.331 -8.511 10.596 1.00 . A X . 5 LEU CD1 1 1 2 521 1 1 5 LEU CD2 C -3.621 -6.820 9.920 1.00 . A X . 5 LEU CD2 1 1 2 522 1 1 5 LEU CG C -5.038 -7.329 9.691 1.00 . A X . 5 LEU CG 1 1 2 523 1 1 5 LEU H H -6.865 -5.717 7.944 1.00 . A X . 5 LEU H 1 1 2 524 1 1 5 LEU HA H -4.066 -6.169 7.319 1.00 . A X . 5 LEU HA 1 1 2 525 1 1 5 LEU HB2 H -6.244 -8.106 8.110 1.00 . A X . 5 LEU HB2 1 1 2 526 1 1 5 LEU HB3 H -4.537 -8.486 7.973 1.00 . A X . 5 LEU HB3 1 1 2 527 1 1 5 LEU HD11 H -5.196 -8.217 11.626 1.00 . A X . 5 LEU HD11 1 1 2 528 1 1 5 LEU HD12 H -4.657 -9.321 10.361 1.00 . A X . 5 LEU HD12 1 1 2 529 1 1 5 LEU HD13 H -6.350 -8.836 10.445 1.00 . A X . 5 LEU HD13 1 1 2 530 1 1 5 LEU HD21 H -3.444 -5.951 9.303 1.00 . A X . 5 LEU HD21 1 1 2 531 1 1 5 LEU HD22 H -2.914 -7.594 9.662 1.00 . A X . 5 LEU HD22 1 1 2 532 1 1 5 LEU HD23 H -3.499 -6.553 10.960 1.00 . A X . 5 LEU HD23 1 1 2 533 1 1 5 LEU HG H -5.725 -6.534 9.948 1.00 . A X . 5 LEU HG 1 1 2 534 1 1 5 LEU N N -5.997 -5.490 7.552 1.00 . A X . 5 LEU N 1 1 2 535 1 1 5 LEU O O -5.378 -8.253 5.554 1.00 . A X . 5 LEU O 1 1 2 536 1 1 6 ALA C C -4.540 -5.649 2.623 1.00 . A X . 6 ALA C 1 1 2 537 1 1 6 ALA CA C -5.534 -6.439 3.468 1.00 . A X . 6 ALA CA 1 1 2 538 1 1 6 ALA CB C -6.964 -6.151 3.028 1.00 . A X . 6 ALA CB 1 1 2 539 1 1 6 ALA H H -5.301 -5.173 5.144 1.00 . A X . 6 ALA H 1 1 2 540 1 1 6 ALA HA H -5.343 -7.496 3.343 1.00 . A X . 6 ALA HA 1 1 2 541 1 1 6 ALA HB1 H -7.167 -5.095 3.129 1.00 . A X . 6 ALA HB1 1 1 2 542 1 1 6 ALA HB2 H -7.652 -6.709 3.646 1.00 . A X . 6 ALA HB2 1 1 2 543 1 1 6 ALA HB3 H -7.088 -6.443 1.995 1.00 . A X . 6 ALA HB3 1 1 2 544 1 1 6 ALA N N -5.365 -6.114 4.876 1.00 . A X . 6 ALA N 1 1 2 545 1 1 6 ALA O O -4.909 -4.680 1.960 1.00 . A X . 6 ALA O 1 1 2 546 1 1 7 PRO C C -2.380 -5.192 0.467 1.00 . A X . 7 PRO C 1 1 2 547 1 1 7 PRO CA C -2.179 -5.323 1.974 1.00 . A X . 7 PRO CA 1 1 2 548 1 1 7 PRO CB C -0.931 -6.164 2.268 1.00 . A X . 7 PRO CB 1 1 2 549 1 1 7 PRO CD C -2.773 -7.289 3.277 1.00 . A X . 7 PRO CD 1 1 2 550 1 1 7 PRO CG C -1.304 -7.027 3.421 1.00 . A X . 7 PRO CG 1 1 2 551 1 1 7 PRO HA H -2.056 -4.339 2.404 1.00 . A X . 7 PRO HA 1 1 2 552 1 1 7 PRO HB2 H -0.682 -6.755 1.399 1.00 . A X . 7 PRO HB2 1 1 2 553 1 1 7 PRO HB3 H -0.107 -5.512 2.514 1.00 . A X . 7 PRO HB3 1 1 2 554 1 1 7 PRO HD2 H -2.945 -8.148 2.647 1.00 . A X . 7 PRO HD2 1 1 2 555 1 1 7 PRO HD3 H -3.232 -7.428 4.244 1.00 . A X . 7 PRO HD3 1 1 2 556 1 1 7 PRO HG2 H -0.750 -7.955 3.378 1.00 . A X . 7 PRO HG2 1 1 2 557 1 1 7 PRO HG3 H -1.102 -6.512 4.347 1.00 . A X . 7 PRO HG3 1 1 2 558 1 1 7 PRO N N -3.263 -6.061 2.633 1.00 . A X . 7 PRO N 1 1 2 559 1 1 7 PRO O O -1.940 -4.217 -0.143 1.00 . A X . 7 PRO O 1 1 2 560 1 1 8 ALA C C -4.069 -5.016 -2.058 1.00 . A X . 8 ALA C 1 1 2 561 1 1 8 ALA CA C -3.290 -6.229 -1.556 1.00 . A X . 8 ALA CA 1 1 2 562 1 1 8 ALA CB C -4.023 -7.514 -1.925 1.00 . A X . 8 ALA CB 1 1 2 563 1 1 8 ALA H H -3.409 -6.900 0.446 1.00 . A X . 8 ALA H 1 1 2 564 1 1 8 ALA HA H -2.326 -6.247 -2.043 1.00 . A X . 8 ALA HA 1 1 2 565 1 1 8 ALA HB1 H -4.135 -7.572 -2.997 1.00 . A X . 8 ALA HB1 1 1 2 566 1 1 8 ALA HB2 H -4.999 -7.518 -1.462 1.00 . A X . 8 ALA HB2 1 1 2 567 1 1 8 ALA HB3 H -3.457 -8.366 -1.575 1.00 . A X . 8 ALA HB3 1 1 2 568 1 1 8 ALA N N -3.058 -6.177 -0.115 1.00 . A X . 8 ALA N 1 1 2 569 1 1 8 ALA O O -3.912 -4.606 -3.208 1.00 . A X . 8 ALA O 1 1 2 570 1 1 9 LYS C C -5.715 -2.220 -0.501 1.00 . A X . 9 LYS C 1 1 2 571 1 1 9 LYS CA C -5.710 -3.292 -1.589 1.00 . A X . 9 LYS CA 1 1 2 572 1 1 9 LYS CB C -7.140 -3.727 -1.938 1.00 . A X . 9 LYS CB 1 1 2 573 1 1 9 LYS CD C -9.210 -4.988 -1.329 1.00 . A X . 9 LYS CD 1 1 2 574 1 1 9 LYS CE C -9.813 -6.052 -0.431 1.00 . A X . 9 LYS CE 1 1 2 575 1 1 9 LYS CG C -7.803 -4.612 -0.896 1.00 . A X . 9 LYS CG 1 1 2 576 1 1 9 LYS H H -4.968 -4.787 -0.285 1.00 . A X . 9 LYS H 1 1 2 577 1 1 9 LYS HA H -5.257 -2.870 -2.474 1.00 . A X . 9 LYS HA 1 1 2 578 1 1 9 LYS HB2 H -7.749 -2.845 -2.063 1.00 . A X . 9 LYS HB2 1 1 2 579 1 1 9 LYS HB3 H -7.119 -4.271 -2.870 1.00 . A X . 9 LYS HB3 1 1 2 580 1 1 9 LYS HD2 H -9.835 -4.109 -1.292 1.00 . A X . 9 LYS HD2 1 1 2 581 1 1 9 LYS HD3 H -9.175 -5.363 -2.341 1.00 . A X . 9 LYS HD3 1 1 2 582 1 1 9 LYS HE2 H -9.174 -6.923 -0.452 1.00 . A X . 9 LYS HE2 1 1 2 583 1 1 9 LYS HE3 H -9.864 -5.668 0.575 1.00 . A X . 9 LYS HE3 1 1 2 584 1 1 9 LYS HG2 H -7.220 -5.512 -0.771 1.00 . A X . 9 LYS HG2 1 1 2 585 1 1 9 LYS HG3 H -7.854 -4.076 0.041 1.00 . A X . 9 LYS HG3 1 1 2 586 1 1 9 LYS HZ1 H -11.493 -7.296 -0.368 1.00 . A X . 9 LYS HZ1 1 1 2 587 1 1 9 LYS HZ2 H -11.185 -6.629 -1.896 1.00 . A X . 9 LYS HZ2 1 1 2 588 1 1 9 LYS HZ3 H -11.853 -5.666 -0.674 1.00 . A X . 9 LYS HZ3 1 1 2 589 1 1 9 LYS N N -4.901 -4.440 -1.199 1.00 . A X . 9 LYS N 1 1 2 590 1 1 9 LYS NZ N -11.178 -6.439 -0.873 1.00 . A X . 9 LYS NZ 1 1 2 591 1 1 9 LYS O O -6.726 -1.558 -0.263 1.00 . A X . 9 LYS O 1 1 2 592 1 1 10 LEU C C -2.964 -0.524 1.147 1.00 . A X . 10 LEU C 1 1 2 593 1 1 10 LEU CA C -4.407 -1.009 1.157 1.00 . A X . 10 LEU CA 1 1 2 594 1 1 10 LEU CB C -4.790 -1.521 2.549 1.00 . A X . 10 LEU CB 1 1 2 595 1 1 10 LEU CD1 C -5.724 0.651 3.385 1.00 . A X . 10 LEU CD1 1 1 2 596 1 1 10 LEU CD2 C -5.029 -1.116 5.011 1.00 . A X . 10 LEU CD2 1 1 2 597 1 1 10 LEU CG C -4.739 -0.473 3.663 1.00 . A X . 10 LEU CG 1 1 2 598 1 1 10 LEU H H -3.818 -2.648 -0.047 1.00 . A X . 10 LEU H 1 1 2 599 1 1 10 LEU HA H -5.054 -0.188 0.891 1.00 . A X . 10 LEU HA 1 1 2 600 1 1 10 LEU HB2 H -5.796 -1.912 2.499 1.00 . A X . 10 LEU HB2 1 1 2 601 1 1 10 LEU HB3 H -4.121 -2.326 2.814 1.00 . A X . 10 LEU HB3 1 1 2 602 1 1 10 LEU HD11 H -5.656 1.393 4.166 1.00 . A X . 10 LEU HD11 1 1 2 603 1 1 10 LEU HD12 H -6.726 0.250 3.354 1.00 . A X . 10 LEU HD12 1 1 2 604 1 1 10 LEU HD13 H -5.489 1.106 2.434 1.00 . A X . 10 LEU HD13 1 1 2 605 1 1 10 LEU HD21 H -4.280 -1.865 5.222 1.00 . A X . 10 LEU HD21 1 1 2 606 1 1 10 LEU HD22 H -6.004 -1.579 4.986 1.00 . A X . 10 LEU HD22 1 1 2 607 1 1 10 LEU HD23 H -5.009 -0.360 5.783 1.00 . A X . 10 LEU HD23 1 1 2 608 1 1 10 LEU HG H -3.747 -0.045 3.702 1.00 . A X . 10 LEU HG 1 1 2 609 1 1 10 LEU N N -4.574 -2.055 0.155 1.00 . A X . 10 LEU N 1 1 2 610 1 1 10 LEU O O -2.682 0.627 0.822 1.00 . A X . 10 LEU O 1 1 2 611 1 1 11 ALA C C -0.072 -1.486 0.041 1.00 . A X . 11 ALA C 1 1 2 612 1 1 11 ALA CA C -0.622 -1.126 1.418 1.00 . A X . 11 ALA CA 1 1 2 613 1 1 11 ALA CB C 0.126 -1.876 2.511 1.00 . A X . 11 ALA CB 1 1 2 614 1 1 11 ALA H H -2.336 -2.318 1.754 1.00 . A X . 11 ALA H 1 1 2 615 1 1 11 ALA HA H -0.495 -0.064 1.582 1.00 . A X . 11 ALA HA 1 1 2 616 1 1 11 ALA HB1 H -0.290 -1.617 3.473 1.00 . A X . 11 ALA HB1 1 1 2 617 1 1 11 ALA HB2 H 1.169 -1.599 2.482 1.00 . A X . 11 ALA HB2 1 1 2 618 1 1 11 ALA HB3 H 0.030 -2.939 2.349 1.00 . A X . 11 ALA HB3 1 1 2 619 1 1 11 ALA N N -2.047 -1.427 1.473 1.00 . A X . 11 ALA N 1 1 2 620 1 1 11 ALA O O 1.007 -2.062 -0.088 1.00 . A X . 11 ALA O 1 1 2 621 1 1 12 LEU C C 0.718 -0.801 -2.874 1.00 . A X . 12 LEU C 1 1 2 622 1 1 12 LEU CA C -0.521 -1.523 -2.353 1.00 . A X . 12 LEU CA 1 1 2 623 1 1 12 LEU CB C -1.721 -1.234 -3.261 1.00 . A X . 12 LEU CB 1 1 2 624 1 1 12 LEU CD1 C -1.330 -3.151 -4.828 1.00 . A X . 12 LEU CD1 1 1 2 625 1 1 12 LEU CD2 C -2.763 -1.231 -5.542 1.00 . A X . 12 LEU CD2 1 1 2 626 1 1 12 LEU CG C -1.550 -1.650 -4.725 1.00 . A X . 12 LEU CG 1 1 2 627 1 1 12 LEU H H -1.624 -0.575 -0.819 1.00 . A X . 12 LEU H 1 1 2 628 1 1 12 LEU HA H -0.330 -2.585 -2.355 1.00 . A X . 12 LEU HA 1 1 2 629 1 1 12 LEU HB2 H -2.579 -1.754 -2.859 1.00 . A X . 12 LEU HB2 1 1 2 630 1 1 12 LEU HB3 H -1.918 -0.173 -3.232 1.00 . A X . 12 LEU HB3 1 1 2 631 1 1 12 LEU HD11 H -0.440 -3.422 -4.279 1.00 . A X . 12 LEU HD11 1 1 2 632 1 1 12 LEU HD12 H -1.212 -3.428 -5.865 1.00 . A X . 12 LEU HD12 1 1 2 633 1 1 12 LEU HD13 H -2.182 -3.670 -4.412 1.00 . A X . 12 LEU HD13 1 1 2 634 1 1 12 LEU HD21 H -2.906 -0.165 -5.453 1.00 . A X . 12 LEU HD21 1 1 2 635 1 1 12 LEU HD22 H -3.639 -1.746 -5.175 1.00 . A X . 12 LEU HD22 1 1 2 636 1 1 12 LEU HD23 H -2.602 -1.487 -6.579 1.00 . A X . 12 LEU HD23 1 1 2 637 1 1 12 LEU HG H -0.681 -1.157 -5.133 1.00 . A X . 12 LEU HG 1 1 2 638 1 1 12 LEU N N -0.830 -1.129 -0.987 1.00 . A X . 12 LEU N 1 1 2 639 1 1 12 LEU O O 1.689 -1.436 -3.287 1.00 . A X . 12 LEU O 1 1 2 640 1 1 13 LEU C C 2.873 1.562 -2.369 1.00 . A X . 13 LEU C 1 1 2 641 1 1 13 LEU CA C 1.761 1.334 -3.393 1.00 . A X . 13 LEU CA 1 1 2 642 1 1 13 LEU CB C 1.196 2.672 -3.879 1.00 . A X . 13 LEU CB 1 1 2 643 1 1 13 LEU CD1 C 2.567 2.823 -5.978 1.00 . A X . 13 LEU CD1 1 1 2 644 1 1 13 LEU CD2 C 1.513 4.876 -5.022 1.00 . A X . 13 LEU CD2 1 1 2 645 1 1 13 LEU CG C 2.156 3.538 -4.699 1.00 . A X . 13 LEU CG 1 1 2 646 1 1 13 LEU H H -0.069 0.970 -2.392 1.00 . A X . 13 LEU H 1 1 2 647 1 1 13 LEU HA H 2.169 0.797 -4.235 1.00 . A X . 13 LEU HA 1 1 2 648 1 1 13 LEU HB2 H 0.326 2.468 -4.484 1.00 . A X . 13 LEU HB2 1 1 2 649 1 1 13 LEU HB3 H 0.884 3.241 -3.014 1.00 . A X . 13 LEU HB3 1 1 2 650 1 1 13 LEU HD11 H 3.233 3.455 -6.548 1.00 . A X . 13 LEU HD11 1 1 2 651 1 1 13 LEU HD12 H 1.687 2.607 -6.566 1.00 . A X . 13 LEU HD12 1 1 2 652 1 1 13 LEU HD13 H 3.068 1.899 -5.731 1.00 . A X . 13 LEU HD13 1 1 2 653 1 1 13 LEU HD21 H 2.198 5.475 -5.607 1.00 . A X . 13 LEU HD21 1 1 2 654 1 1 13 LEU HD22 H 1.278 5.393 -4.103 1.00 . A X . 13 LEU HD22 1 1 2 655 1 1 13 LEU HD23 H 0.607 4.712 -5.585 1.00 . A X . 13 LEU HD23 1 1 2 656 1 1 13 LEU HG H 3.049 3.725 -4.118 1.00 . A X . 13 LEU HG 1 1 2 657 1 1 13 LEU N N 0.689 0.523 -2.825 1.00 . A X . 13 LEU N 1 1 2 658 1 1 13 LEU O O 3.916 2.141 -2.682 1.00 . A X . 13 LEU O 1 1 2 659 1 1 14 TRP C C 4.902 0.483 -0.321 1.00 . A X . 14 TRP C 1 1 2 660 1 1 14 TRP CA C 3.604 1.253 -0.058 1.00 . A X . 14 TRP CA 1 1 2 661 1 1 14 TRP CB C 2.962 0.803 1.261 1.00 . A X . 14 TRP CB 1 1 2 662 1 1 14 TRP CD1 C 4.107 2.322 2.979 1.00 . A X . 14 TRP CD1 1 1 2 663 1 1 14 TRP CD2 C 4.405 0.133 3.344 1.00 . A X . 14 TRP CD2 1 1 2 664 1 1 14 TRP CE2 C 5.081 0.851 4.348 1.00 . A X . 14 TRP CE2 1 1 2 665 1 1 14 TRP CE3 C 4.454 -1.266 3.369 1.00 . A X . 14 TRP CE3 1 1 2 666 1 1 14 TRP CG C 3.794 1.093 2.474 1.00 . A X . 14 TRP CG 1 1 2 667 1 1 14 TRP CH2 C 5.820 -1.148 5.367 1.00 . A X . 14 TRP CH2 1 1 2 668 1 1 14 TRP CZ2 C 5.793 0.221 5.366 1.00 . A X . 14 TRP CZ2 1 1 2 669 1 1 14 TRP CZ3 C 5.158 -1.890 4.382 1.00 . A X . 14 TRP CZ3 1 1 2 670 1 1 14 TRP H H 1.829 0.579 -0.984 1.00 . A X . 14 TRP H 1 1 2 671 1 1 14 TRP HA H 3.835 2.306 0.008 1.00 . A X . 14 TRP HA 1 1 2 672 1 1 14 TRP HB2 H 2.017 1.308 1.383 1.00 . A X . 14 TRP HB2 1 1 2 673 1 1 14 TRP HB3 H 2.790 -0.264 1.222 1.00 . A X . 14 TRP HB3 1 1 2 674 1 1 14 TRP HD1 H 3.789 3.258 2.544 1.00 . A X . 14 TRP HD1 1 1 2 675 1 1 14 TRP HE1 H 5.241 2.926 4.649 1.00 . A X . 14 TRP HE1 1 1 2 676 1 1 14 TRP HE3 H 3.948 -1.854 2.619 1.00 . A X . 14 TRP HE3 1 1 2 677 1 1 14 TRP HH2 H 6.361 -1.679 6.137 1.00 . A X . 14 TRP HH2 1 1 2 678 1 1 14 TRP HZ2 H 6.307 0.779 6.132 1.00 . A X . 14 TRP HZ2 1 1 2 679 1 1 14 TRP HZ3 H 5.206 -2.968 4.415 1.00 . A X . 14 TRP HZ3 1 1 2 680 1 1 14 TRP N N 2.655 1.072 -1.153 1.00 . A X . 14 TRP N 1 1 2 681 1 1 14 TRP NE1 N 4.884 2.185 4.105 1.00 . A X . 14 TRP NE1 1 1 2 682 1 1 14 TRP O O 5.921 0.722 0.331 1.00 . A X . 14 TRP O 1 1 2 683 1 1 15 LYS C C 7.202 -0.292 -2.018 1.00 . A X . 15 LYS C 1 1 2 684 1 1 15 LYS CA C 6.035 -1.207 -1.669 1.00 . A X . 15 LYS CA 1 1 2 685 1 1 15 LYS CB C 5.736 -2.102 -2.873 1.00 . A X . 15 LYS CB 1 1 2 686 1 1 15 LYS CD C 4.478 -4.036 -3.835 1.00 . A X . 15 LYS CD 1 1 2 687 1 1 15 LYS CE C 3.250 -4.925 -3.732 1.00 . A X . 15 LYS CE 1 1 2 688 1 1 15 LYS CG C 4.575 -3.058 -2.675 1.00 . A X . 15 LYS CG 1 1 2 689 1 1 15 LYS H H 4.019 -0.572 -1.771 1.00 . A X . 15 LYS H 1 1 2 690 1 1 15 LYS HA H 6.310 -1.826 -0.827 1.00 . A X . 15 LYS HA 1 1 2 691 1 1 15 LYS HB2 H 5.510 -1.473 -3.721 1.00 . A X . 15 LYS HB2 1 1 2 692 1 1 15 LYS HB3 H 6.618 -2.684 -3.096 1.00 . A X . 15 LYS HB3 1 1 2 693 1 1 15 LYS HD2 H 4.425 -3.475 -4.754 1.00 . A X . 15 LYS HD2 1 1 2 694 1 1 15 LYS HD3 H 5.362 -4.657 -3.842 1.00 . A X . 15 LYS HD3 1 1 2 695 1 1 15 LYS HE2 H 3.326 -5.709 -4.470 1.00 . A X . 15 LYS HE2 1 1 2 696 1 1 15 LYS HE3 H 3.220 -5.361 -2.746 1.00 . A X . 15 LYS HE3 1 1 2 697 1 1 15 LYS HG2 H 4.728 -3.610 -1.760 1.00 . A X . 15 LYS HG2 1 1 2 698 1 1 15 LYS HG3 H 3.657 -2.492 -2.611 1.00 . A X . 15 LYS HG3 1 1 2 699 1 1 15 LYS HZ1 H 1.172 -4.807 -3.916 1.00 . A X . 15 LYS HZ1 1 1 2 700 1 1 15 LYS HZ2 H 2.015 -3.721 -4.910 1.00 . A X . 15 LYS HZ2 1 1 2 701 1 1 15 LYS HZ3 H 1.885 -3.419 -3.249 1.00 . A X . 15 LYS HZ3 1 1 2 702 1 1 15 LYS N N 4.861 -0.426 -1.293 1.00 . A X . 15 LYS N 1 1 2 703 1 1 15 LYS NZ N 1.994 -4.165 -3.964 1.00 . A X . 15 LYS NZ 1 1 2 704 1 1 15 LYS O O 8.336 -0.544 -1.621 1.00 . A X . 15 LYS O 1 1 2 705 1 1 16 ALA C C 8.628 2.366 -2.007 1.00 . A X . 16 ALA C 1 1 2 706 1 1 16 ALA CA C 7.928 1.720 -3.197 1.00 . A X . 16 ALA CA 1 1 2 707 1 1 16 ALA CB C 7.303 2.784 -4.090 1.00 . A X . 16 ALA CB 1 1 2 708 1 1 16 ALA H H 5.974 0.924 -3.025 1.00 . A X . 16 ALA H 1 1 2 709 1 1 16 ALA HA H 8.657 1.179 -3.779 1.00 . A X . 16 ALA HA 1 1 2 710 1 1 16 ALA HB1 H 6.583 3.357 -3.523 1.00 . A X . 16 ALA HB1 1 1 2 711 1 1 16 ALA HB2 H 6.805 2.307 -4.921 1.00 . A X . 16 ALA HB2 1 1 2 712 1 1 16 ALA HB3 H 8.075 3.441 -4.463 1.00 . A X . 16 ALA HB3 1 1 2 713 1 1 16 ALA N N 6.909 0.773 -2.761 1.00 . A X . 16 ALA N 1 1 2 714 1 1 16 ALA O O 9.843 2.576 -2.020 1.00 . A X . 16 ALA O 1 1 2 715 1 1 17 LEU C C 9.254 2.341 1.018 1.00 . A X . 17 LEU C 1 1 2 716 1 1 17 LEU CA C 8.386 3.307 0.221 1.00 . A X . 17 LEU CA 1 1 2 717 1 1 17 LEU CB C 7.251 3.846 1.109 1.00 . A X . 17 LEU CB 1 1 2 718 1 1 17 LEU CD1 C 5.523 4.565 -0.583 1.00 . A X . 17 LEU CD1 1 1 2 719 1 1 17 LEU CD2 C 5.646 5.690 1.644 1.00 . A X . 17 LEU CD2 1 1 2 720 1 1 17 LEU CG C 6.445 5.018 0.538 1.00 . A X . 17 LEU CG 1 1 2 721 1 1 17 LEU H H 6.912 2.400 -0.991 1.00 . A X . 17 LEU H 1 1 2 722 1 1 17 LEU HA H 9.000 4.134 -0.102 1.00 . A X . 17 LEU HA 1 1 2 723 1 1 17 LEU HB2 H 6.568 3.035 1.310 1.00 . A X . 17 LEU HB2 1 1 2 724 1 1 17 LEU HB3 H 7.684 4.163 2.047 1.00 . A X . 17 LEU HB3 1 1 2 725 1 1 17 LEU HD11 H 6.112 4.120 -1.372 1.00 . A X . 17 LEU HD11 1 1 2 726 1 1 17 LEU HD12 H 4.986 5.417 -0.973 1.00 . A X . 17 LEU HD12 1 1 2 727 1 1 17 LEU HD13 H 4.821 3.839 -0.203 1.00 . A X . 17 LEU HD13 1 1 2 728 1 1 17 LEU HD21 H 5.099 6.526 1.235 1.00 . A X . 17 LEU HD21 1 1 2 729 1 1 17 LEU HD22 H 6.322 6.041 2.411 1.00 . A X . 17 LEU HD22 1 1 2 730 1 1 17 LEU HD23 H 4.954 4.980 2.069 1.00 . A X . 17 LEU HD23 1 1 2 731 1 1 17 LEU HG H 7.125 5.751 0.130 1.00 . A X . 17 LEU HG 1 1 2 732 1 1 17 LEU N N 7.859 2.651 -0.966 1.00 . A X . 17 LEU N 1 1 2 733 1 1 17 LEU O O 10.414 2.634 1.307 1.00 . A X . 17 LEU O 1 1 2 734 1 1 18 ALA C C 10.608 -0.390 1.468 1.00 . A X . 18 ALA C 1 1 2 735 1 1 18 ALA CA C 9.383 0.193 2.168 1.00 . A X . 18 ALA CA 1 1 2 736 1 1 18 ALA CB C 8.428 -0.919 2.560 1.00 . A X . 18 ALA CB 1 1 2 737 1 1 18 ALA H H 7.793 0.972 1.000 1.00 . A X . 18 ALA H 1 1 2 738 1 1 18 ALA HA H 9.703 0.689 3.070 1.00 . A X . 18 ALA HA 1 1 2 739 1 1 18 ALA HB1 H 7.587 -0.502 3.094 1.00 . A X . 18 ALA HB1 1 1 2 740 1 1 18 ALA HB2 H 8.940 -1.630 3.192 1.00 . A X . 18 ALA HB2 1 1 2 741 1 1 18 ALA HB3 H 8.074 -1.420 1.670 1.00 . A X . 18 ALA HB3 1 1 2 742 1 1 18 ALA N N 8.697 1.175 1.335 1.00 . A X . 18 ALA N 1 1 2 743 1 1 18 ALA O O 11.576 -0.791 2.118 1.00 . A X . 18 ALA O 1 1 2 744 1 1 19 LEU C C 12.907 -0.137 -0.539 1.00 . A X . 19 LEU C 1 1 2 745 1 1 19 LEU CA C 11.655 -1.000 -0.635 1.00 . A X . 19 LEU CA 1 1 2 746 1 1 19 LEU CB C 11.248 -1.143 -2.102 1.00 . A X . 19 LEU CB 1 1 2 747 1 1 19 LEU CD1 C 12.772 -3.056 -2.660 1.00 . A X . 19 LEU CD1 1 1 2 748 1 1 19 LEU CD2 C 11.885 -1.591 -4.479 1.00 . A X . 19 LEU CD2 1 1 2 749 1 1 19 LEU CG C 12.350 -1.645 -3.036 1.00 . A X . 19 LEU CG 1 1 2 750 1 1 19 LEU H H 9.763 -0.103 -0.320 1.00 . A X . 19 LEU H 1 1 2 751 1 1 19 LEU HA H 11.877 -1.978 -0.237 1.00 . A X . 19 LEU HA 1 1 2 752 1 1 19 LEU HB2 H 10.417 -1.832 -2.156 1.00 . A X . 19 LEU HB2 1 1 2 753 1 1 19 LEU HB3 H 10.915 -0.178 -2.459 1.00 . A X . 19 LEU HB3 1 1 2 754 1 1 19 LEU HD11 H 11.920 -3.717 -2.733 1.00 . A X . 19 LEU HD11 1 1 2 755 1 1 19 LEU HD12 H 13.147 -3.063 -1.647 1.00 . A X . 19 LEU HD12 1 1 2 756 1 1 19 LEU HD13 H 13.547 -3.391 -3.333 1.00 . A X . 19 LEU HD13 1 1 2 757 1 1 19 LEU HD21 H 11.024 -2.230 -4.606 1.00 . A X . 19 LEU HD21 1 1 2 758 1 1 19 LEU HD22 H 12.682 -1.928 -5.126 1.00 . A X . 19 LEU HD22 1 1 2 759 1 1 19 LEU HD23 H 11.620 -0.574 -4.733 1.00 . A X . 19 LEU HD23 1 1 2 760 1 1 19 LEU HG H 13.214 -1.003 -2.937 1.00 . A X . 19 LEU HG 1 1 2 761 1 1 19 LEU N N 10.561 -0.440 0.146 1.00 . A X . 19 LEU N 1 1 2 762 1 1 19 LEU O O 14.007 -0.652 -0.365 1.00 . A X . 19 LEU O 1 1 2 763 1 1 20 LYS C C 14.622 2.234 0.596 1.00 . A X . 20 LYS C 1 1 2 764 1 1 20 LYS CA C 13.880 2.080 -0.730 1.00 . A X . 20 LYS CA 1 1 2 765 1 1 20 LYS CB C 13.438 3.441 -1.265 1.00 . A X . 20 LYS CB 1 1 2 766 1 1 20 LYS CD C 12.705 4.755 -3.288 1.00 . A X . 20 LYS CD 1 1 2 767 1 1 20 LYS CE C 14.009 5.533 -3.361 1.00 . A X . 20 LYS CE 1 1 2 768 1 1 20 LYS CG C 12.914 3.374 -2.692 1.00 . A X . 20 LYS CG 1 1 2 769 1 1 20 LYS H H 11.829 1.545 -0.627 1.00 . A X . 20 LYS H 1 1 2 770 1 1 20 LYS HA H 14.565 1.645 -1.443 1.00 . A X . 20 LYS HA 1 1 2 771 1 1 20 LYS HB2 H 12.654 3.830 -0.631 1.00 . A X . 20 LYS HB2 1 1 2 772 1 1 20 LYS HB3 H 14.280 4.119 -1.242 1.00 . A X . 20 LYS HB3 1 1 2 773 1 1 20 LYS HD2 H 12.301 4.651 -4.284 1.00 . A X . 20 LYS HD2 1 1 2 774 1 1 20 LYS HD3 H 12.006 5.300 -2.671 1.00 . A X . 20 LYS HD3 1 1 2 775 1 1 20 LYS HE2 H 14.367 5.709 -2.358 1.00 . A X . 20 LYS HE2 1 1 2 776 1 1 20 LYS HE3 H 14.735 4.942 -3.901 1.00 . A X . 20 LYS HE3 1 1 2 777 1 1 20 LYS HG2 H 13.627 2.837 -3.300 1.00 . A X . 20 LYS HG2 1 1 2 778 1 1 20 LYS HG3 H 11.970 2.847 -2.694 1.00 . A X . 20 LYS HG3 1 1 2 779 1 1 20 LYS HZ1 H 13.016 7.345 -3.665 1.00 . A X . 20 LYS HZ1 1 1 2 780 1 1 20 LYS HZ2 H 13.706 6.694 -5.071 1.00 . A X . 20 LYS HZ2 1 1 2 781 1 1 20 LYS HZ3 H 14.694 7.428 -3.901 1.00 . A X . 20 LYS HZ3 1 1 2 782 1 1 20 LYS N N 12.738 1.175 -0.629 1.00 . A X . 20 LYS N 1 1 2 783 1 1 20 LYS NZ N 13.845 6.839 -4.048 1.00 . A X . 20 LYS NZ 1 1 2 784 1 1 20 LYS O O 15.701 2.822 0.637 1.00 . A X . 20 LYS O 1 1 2 785 1 1 21 LEU C C 15.636 0.413 3.021 1.00 . A X . 21 LEU C 1 1 2 786 1 1 21 LEU CA C 14.753 1.655 2.951 1.00 . A X . 21 LEU CA 1 1 2 787 1 1 21 LEU CB C 13.778 1.676 4.133 1.00 . A X . 21 LEU CB 1 1 2 788 1 1 21 LEU CD1 C 12.391 3.685 3.510 1.00 . A X . 21 LEU CD1 1 1 2 789 1 1 21 LEU CD2 C 12.585 2.992 5.905 1.00 . A X . 21 LEU CD2 1 1 2 790 1 1 21 LEU CG C 13.296 3.069 4.564 1.00 . A X . 21 LEU CG 1 1 2 791 1 1 21 LEU H H 13.144 1.339 1.604 1.00 . A X . 21 LEU H 1 1 2 792 1 1 21 LEU HA H 15.388 2.529 3.008 1.00 . A X . 21 LEU HA 1 1 2 793 1 1 21 LEU HB2 H 12.913 1.086 3.867 1.00 . A X . 21 LEU HB2 1 1 2 794 1 1 21 LEU HB3 H 14.263 1.212 4.978 1.00 . A X . 21 LEU HB3 1 1 2 795 1 1 21 LEU HD11 H 11.521 3.060 3.371 1.00 . A X . 21 LEU HD11 1 1 2 796 1 1 21 LEU HD12 H 12.928 3.764 2.577 1.00 . A X . 21 LEU HD12 1 1 2 797 1 1 21 LEU HD13 H 12.079 4.669 3.830 1.00 . A X . 21 LEU HD13 1 1 2 798 1 1 21 LEU HD21 H 11.734 2.334 5.824 1.00 . A X . 21 LEU HD21 1 1 2 799 1 1 21 LEU HD22 H 12.252 3.978 6.192 1.00 . A X . 21 LEU HD22 1 1 2 800 1 1 21 LEU HD23 H 13.267 2.610 6.652 1.00 . A X . 21 LEU HD23 1 1 2 801 1 1 21 LEU HG H 14.152 3.717 4.682 1.00 . A X . 21 LEU HG 1 1 2 802 1 1 21 LEU N N 14.052 1.702 1.671 1.00 . A X . 21 LEU N 1 1 2 803 1 1 21 LEU O O 16.602 0.366 3.782 1.00 . A X . 21 LEU O 1 1 2 804 1 1 22 LYS C C 17.094 -1.672 0.990 1.00 . A X . 22 LYS C 1 1 2 805 1 1 22 LYS CA C 16.093 -1.802 2.131 1.00 . A X . 22 LYS CA 1 1 2 806 1 1 22 LYS CB C 15.197 -3.018 1.878 1.00 . A X . 22 LYS CB 1 1 2 807 1 1 22 LYS CD C 13.218 -4.406 2.540 1.00 . A X . 22 LYS CD 1 1 2 808 1 1 22 LYS CE C 12.049 -4.582 3.495 1.00 . A X . 22 LYS CE 1 1 2 809 1 1 22 LYS CG C 14.090 -3.213 2.904 1.00 . A X . 22 LYS CG 1 1 2 810 1 1 22 LYS H H 14.487 -0.503 1.671 1.00 . A X . 22 LYS H 1 1 2 811 1 1 22 LYS HA H 16.623 -1.929 3.062 1.00 . A X . 22 LYS HA 1 1 2 812 1 1 22 LYS HB2 H 14.737 -2.911 0.908 1.00 . A X . 22 LYS HB2 1 1 2 813 1 1 22 LYS HB3 H 15.815 -3.904 1.875 1.00 . A X . 22 LYS HB3 1 1 2 814 1 1 22 LYS HD2 H 12.832 -4.263 1.542 1.00 . A X . 22 LYS HD2 1 1 2 815 1 1 22 LYS HD3 H 13.826 -5.301 2.563 1.00 . A X . 22 LYS HD3 1 1 2 816 1 1 22 LYS HE2 H 11.504 -5.472 3.219 1.00 . A X . 22 LYS HE2 1 1 2 817 1 1 22 LYS HE3 H 12.437 -4.693 4.497 1.00 . A X . 22 LYS HE3 1 1 2 818 1 1 22 LYS HG2 H 14.533 -3.383 3.873 1.00 . A X . 22 LYS HG2 1 1 2 819 1 1 22 LYS HG3 H 13.476 -2.326 2.933 1.00 . A X . 22 LYS HG3 1 1 2 820 1 1 22 LYS HZ1 H 11.419 -2.697 4.154 1.00 . A X . 22 LYS HZ1 1 1 2 821 1 1 22 LYS HZ2 H 10.150 -3.731 3.699 1.00 . A X . 22 LYS HZ2 1 1 2 822 1 1 22 LYS HZ3 H 11.111 -2.996 2.517 1.00 . A X . 22 LYS HZ3 1 1 2 823 1 1 22 LYS N N 15.294 -0.588 2.220 1.00 . A X . 22 LYS N 1 1 2 824 1 1 22 LYS NZ N 11.120 -3.421 3.464 1.00 . A X . 22 LYS NZ 1 1 2 825 1 1 22 LYS O O 18.197 -2.224 1.042 1.00 . A X . 22 LYS O 1 1 2 826 1 1 23 LYS C C 17.613 -1.905 -2.137 1.00 . A X . 23 LYS C 1 1 2 827 1 1 23 LYS CA C 17.468 -0.671 -1.245 1.00 . A X . 23 LYS CA 1 1 2 828 1 1 23 LYS CB C 18.844 -0.106 -0.874 1.00 . A X . 23 LYS CB 1 1 2 829 1 1 23 LYS CD C 20.172 1.819 0.060 1.00 . A X . 23 LYS CD 1 1 2 830 1 1 23 LYS CE C 20.964 0.977 1.046 1.00 . A X . 23 LYS CE 1 1 2 831 1 1 23 LYS CG C 18.784 1.248 -0.182 1.00 . A X . 23 LYS CG 1 1 2 832 1 1 23 LYS H H 15.748 -0.601 -0.020 1.00 . A X . 23 LYS H 1 1 2 833 1 1 23 LYS HA H 16.936 0.081 -1.808 1.00 . A X . 23 LYS HA 1 1 2 834 1 1 23 LYS HB2 H 19.340 -0.803 -0.215 1.00 . A X . 23 LYS HB2 1 1 2 835 1 1 23 LYS HB3 H 19.430 0.001 -1.777 1.00 . A X . 23 LYS HB3 1 1 2 836 1 1 23 LYS HD2 H 20.707 1.851 -0.878 1.00 . A X . 23 LYS HD2 1 1 2 837 1 1 23 LYS HD3 H 20.076 2.820 0.455 1.00 . A X . 23 LYS HD3 1 1 2 838 1 1 23 LYS HE2 H 20.505 1.062 2.018 1.00 . A X . 23 LYS HE2 1 1 2 839 1 1 23 LYS HE3 H 20.938 -0.055 0.724 1.00 . A X . 23 LYS HE3 1 1 2 840 1 1 23 LYS HG2 H 18.228 1.936 -0.803 1.00 . A X . 23 LYS HG2 1 1 2 841 1 1 23 LYS HG3 H 18.281 1.134 0.768 1.00 . A X . 23 LYS HG3 1 1 2 842 1 1 23 LYS HZ1 H 22.877 0.879 1.877 1.00 . A X . 23 LYS HZ1 1 1 2 843 1 1 23 LYS HZ2 H 22.421 2.435 1.381 1.00 . A X . 23 LYS HZ2 1 1 2 844 1 1 23 LYS HZ3 H 22.859 1.270 0.228 1.00 . A X . 23 LYS HZ3 1 1 2 845 1 1 23 LYS N N 16.665 -0.953 -0.052 1.00 . A X . 23 LYS N 1 1 2 846 1 1 23 LYS NZ N 22.377 1.420 1.140 1.00 . A X . 23 LYS NZ 1 1 2 847 1 1 23 LYS O O 17.987 -1.791 -3.303 1.00 . A X . 23 LYS O 1 1 2 848 1 1 24 ALA C C 16.386 -5.316 -1.825 1.00 . A X . 24 ALA C 1 1 2 849 1 1 24 ALA CA C 17.407 -4.314 -2.336 1.00 . A X . 24 ALA CA 1 1 2 850 1 1 24 ALA CB C 18.813 -4.881 -2.218 1.00 . A X . 24 ALA CB 1 1 2 851 1 1 24 ALA H H 16.982 -3.100 -0.670 1.00 . A X . 24 ALA H 1 1 2 852 1 1 24 ALA HA H 17.209 -4.105 -3.378 1.00 . A X . 24 ALA HA 1 1 2 853 1 1 24 ALA HB1 H 19.529 -4.152 -2.572 1.00 . A X . 24 ALA HB1 1 1 2 854 1 1 24 ALA HB2 H 18.890 -5.779 -2.811 1.00 . A X . 24 ALA HB2 1 1 2 855 1 1 24 ALA HB3 H 19.019 -5.117 -1.182 1.00 . A X . 24 ALA HB3 1 1 2 856 1 1 24 ALA N N 17.300 -3.072 -1.596 1.00 . A X . 24 ALA N 1 1 2 857 1 1 24 ALA O O 16.559 -5.806 -0.690 1.00 . A X . 24 ALA O 1 1 2 858 1 1 24 ALA OXT O 15.417 -5.616 -2.556 1.00 . A X . 24 ALA OXT 1 1 3 859 1 1 1 LYS C C -21.272 -0.856 2.227 1.00 . A X . 1 LYS C 1 1 3 860 1 1 1 LYS CA C -22.276 0.088 2.884 1.00 . A X . 1 LYS CA 1 1 3 861 1 1 1 LYS CB C -21.692 0.655 4.184 1.00 . A X . 1 LYS CB 1 1 3 862 1 1 1 LYS CD C -20.772 2.836 3.302 1.00 . A X . 1 LYS CD 1 1 3 863 1 1 1 LYS CE C -21.693 3.699 4.157 1.00 . A X . 1 LYS CE 1 1 3 864 1 1 1 LYS CG C -20.448 1.511 3.981 1.00 . A X . 1 LYS CG 1 1 3 865 1 1 1 LYS H1 H -23.912 -1.056 2.287 1.00 . A X . 1 LYS H1 1 1 3 866 1 1 1 LYS H2 H -24.251 0.034 3.539 1.00 . A X . 1 LYS H2 1 1 3 867 1 1 1 LYS H3 H -23.379 -1.384 3.867 1.00 . A X . 1 LYS H3 1 1 3 868 1 1 1 LYS HA H -22.489 0.901 2.204 1.00 . A X . 1 LYS HA 1 1 3 869 1 1 1 LYS HB2 H -22.443 1.263 4.667 1.00 . A X . 1 LYS HB2 1 1 3 870 1 1 1 LYS HB3 H -21.433 -0.166 4.837 1.00 . A X . 1 LYS HB3 1 1 3 871 1 1 1 LYS HD2 H -19.852 3.374 3.126 1.00 . A X . 1 LYS HD2 1 1 3 872 1 1 1 LYS HD3 H -21.257 2.634 2.359 1.00 . A X . 1 LYS HD3 1 1 3 873 1 1 1 LYS HE2 H -22.639 3.189 4.271 1.00 . A X . 1 LYS HE2 1 1 3 874 1 1 1 LYS HE3 H -21.240 3.835 5.128 1.00 . A X . 1 LYS HE3 1 1 3 875 1 1 1 LYS HG2 H -20.002 1.713 4.943 1.00 . A X . 1 LYS HG2 1 1 3 876 1 1 1 LYS HG3 H -19.746 0.965 3.367 1.00 . A X . 1 LYS HG3 1 1 3 877 1 1 1 LYS HZ1 H -22.672 5.545 4.073 1.00 . A X . 1 LYS HZ1 1 1 3 878 1 1 1 LYS HZ2 H -22.245 4.925 2.553 1.00 . A X . 1 LYS HZ2 1 1 3 879 1 1 1 LYS HZ3 H -21.058 5.599 3.557 1.00 . A X . 1 LYS HZ3 1 1 3 880 1 1 1 LYS N N -23.541 -0.628 3.163 1.00 . A X . 1 LYS N 1 1 3 881 1 1 1 LYS NZ N -21.936 5.032 3.544 1.00 . A X . 1 LYS NZ 1 1 3 882 1 1 1 LYS O O -20.611 -1.648 2.899 1.00 . A X . 1 LYS O 1 1 3 883 1 1 2 LYS C C -18.904 -0.971 -0.031 1.00 . A X . 2 LYS C 1 1 3 884 1 1 2 LYS CA C -20.261 -1.635 0.157 1.00 . A X . 2 LYS CA 1 1 3 885 1 1 2 LYS CB C -20.872 -1.994 -1.201 1.00 . A X . 2 LYS CB 1 1 3 886 1 1 2 LYS CD C -21.881 -1.187 -3.354 1.00 . A X . 2 LYS CD 1 1 3 887 1 1 2 LYS CE C -22.341 0.028 -4.139 1.00 . A X . 2 LYS CE 1 1 3 888 1 1 2 LYS CG C -21.212 -0.784 -2.053 1.00 . A X . 2 LYS CG 1 1 3 889 1 1 2 LYS H H -21.723 -0.118 0.423 1.00 . A X . 2 LYS H 1 1 3 890 1 1 2 LYS HA H -20.123 -2.539 0.726 1.00 . A X . 2 LYS HA 1 1 3 891 1 1 2 LYS HB2 H -20.173 -2.607 -1.749 1.00 . A X . 2 LYS HB2 1 1 3 892 1 1 2 LYS HB3 H -21.779 -2.557 -1.037 1.00 . A X . 2 LYS HB3 1 1 3 893 1 1 2 LYS HD2 H -21.176 -1.744 -3.954 1.00 . A X . 2 LYS HD2 1 1 3 894 1 1 2 LYS HD3 H -22.738 -1.807 -3.134 1.00 . A X . 2 LYS HD3 1 1 3 895 1 1 2 LYS HE2 H -22.856 -0.307 -5.028 1.00 . A X . 2 LYS HE2 1 1 3 896 1 1 2 LYS HE3 H -23.019 0.601 -3.525 1.00 . A X . 2 LYS HE3 1 1 3 897 1 1 2 LYS HG2 H -21.882 -0.141 -1.499 1.00 . A X . 2 LYS HG2 1 1 3 898 1 1 2 LYS HG3 H -20.303 -0.249 -2.278 1.00 . A X . 2 LYS HG3 1 1 3 899 1 1 2 LYS HZ1 H -21.558 1.755 -5.013 1.00 . A X . 2 LYS HZ1 1 1 3 900 1 1 2 LYS HZ2 H -20.579 0.381 -5.202 1.00 . A X . 2 LYS HZ2 1 1 3 901 1 1 2 LYS HZ3 H -20.642 1.171 -3.709 1.00 . A X . 2 LYS HZ3 1 1 3 902 1 1 2 LYS N N -21.166 -0.774 0.909 1.00 . A X . 2 LYS N 1 1 3 903 1 1 2 LYS NZ N -21.202 0.894 -4.542 1.00 . A X . 2 LYS NZ 1 1 3 904 1 1 2 LYS O O -17.936 -1.606 -0.450 1.00 . A X . 2 LYS O 1 1 3 905 1 1 3 LEU C C -16.679 0.835 1.365 1.00 . A X . 3 LEU C 1 1 3 906 1 1 3 LEU CA C -17.595 1.061 0.160 1.00 . A X . 3 LEU CA 1 1 3 907 1 1 3 LEU CB C -17.902 2.554 -0.014 1.00 . A X . 3 LEU CB 1 1 3 908 1 1 3 LEU CD1 C -16.048 3.023 -1.642 1.00 . A X . 3 LEU CD1 1 1 3 909 1 1 3 LEU CD2 C -17.093 4.899 -0.371 1.00 . A X . 3 LEU CD2 1 1 3 910 1 1 3 LEU CG C -16.689 3.435 -0.327 1.00 . A X . 3 LEU CG 1 1 3 911 1 1 3 LEU H H -19.623 0.745 0.671 1.00 . A X . 3 LEU H 1 1 3 912 1 1 3 LEU HA H -17.095 0.704 -0.727 1.00 . A X . 3 LEU HA 1 1 3 913 1 1 3 LEU HB2 H -18.616 2.662 -0.818 1.00 . A X . 3 LEU HB2 1 1 3 914 1 1 3 LEU HB3 H -18.354 2.917 0.896 1.00 . A X . 3 LEU HB3 1 1 3 915 1 1 3 LEU HD11 H -15.195 3.656 -1.838 1.00 . A X . 3 LEU HD11 1 1 3 916 1 1 3 LEU HD12 H -16.765 3.129 -2.442 1.00 . A X . 3 LEU HD12 1 1 3 917 1 1 3 LEU HD13 H -15.726 1.994 -1.580 1.00 . A X . 3 LEU HD13 1 1 3 918 1 1 3 LEU HD21 H -16.221 5.508 -0.557 1.00 . A X . 3 LEU HD21 1 1 3 919 1 1 3 LEU HD22 H -17.533 5.178 0.575 1.00 . A X . 3 LEU HD22 1 1 3 920 1 1 3 LEU HD23 H -17.813 5.048 -1.161 1.00 . A X . 3 LEU HD23 1 1 3 921 1 1 3 LEU HG H -15.954 3.313 0.453 1.00 . A X . 3 LEU HG 1 1 3 922 1 1 3 LEU N N -18.829 0.304 0.308 1.00 . A X . 3 LEU N 1 1 3 923 1 1 3 LEU O O -16.488 1.723 2.198 1.00 . A X . 3 LEU O 1 1 3 924 1 1 4 LYS C C -13.999 -1.452 1.993 1.00 . A X . 4 LYS C 1 1 3 925 1 1 4 LYS CA C -15.207 -0.699 2.545 1.00 . A X . 4 LYS CA 1 1 3 926 1 1 4 LYS CB C -15.899 -1.530 3.645 1.00 . A X . 4 LYS CB 1 1 3 927 1 1 4 LYS CD C -17.152 -3.240 2.246 1.00 . A X . 4 LYS CD 1 1 3 928 1 1 4 LYS CE C -17.298 -4.721 1.926 1.00 . A X . 4 LYS CE 1 1 3 929 1 1 4 LYS CG C -16.098 -3.009 3.318 1.00 . A X . 4 LYS CG 1 1 3 930 1 1 4 LYS H H -16.370 -1.061 0.808 1.00 . A X . 4 LYS H 1 1 3 931 1 1 4 LYS HA H -14.862 0.229 2.974 1.00 . A X . 4 LYS HA 1 1 3 932 1 1 4 LYS HB2 H -15.306 -1.469 4.545 1.00 . A X . 4 LYS HB2 1 1 3 933 1 1 4 LYS HB3 H -16.868 -1.097 3.840 1.00 . A X . 4 LYS HB3 1 1 3 934 1 1 4 LYS HD2 H -18.100 -2.861 2.598 1.00 . A X . 4 LYS HD2 1 1 3 935 1 1 4 LYS HD3 H -16.861 -2.714 1.348 1.00 . A X . 4 LYS HD3 1 1 3 936 1 1 4 LYS HE2 H -16.343 -5.098 1.592 1.00 . A X . 4 LYS HE2 1 1 3 937 1 1 4 LYS HE3 H -17.595 -5.243 2.825 1.00 . A X . 4 LYS HE3 1 1 3 938 1 1 4 LYS HG2 H -15.160 -3.415 2.972 1.00 . A X . 4 LYS HG2 1 1 3 939 1 1 4 LYS HG3 H -16.398 -3.523 4.220 1.00 . A X . 4 LYS HG3 1 1 3 940 1 1 4 LYS HZ1 H -19.257 -4.660 1.185 1.00 . A X . 4 LYS HZ1 1 1 3 941 1 1 4 LYS HZ2 H -18.351 -5.987 0.634 1.00 . A X . 4 LYS HZ2 1 1 3 942 1 1 4 LYS HZ3 H -18.059 -4.444 -0.001 1.00 . A X . 4 LYS HZ3 1 1 3 943 1 1 4 LYS N N -16.134 -0.371 1.467 1.00 . A X . 4 LYS N 1 1 3 944 1 1 4 LYS NZ N -18.312 -4.969 0.865 1.00 . A X . 4 LYS NZ 1 1 3 945 1 1 4 LYS O O -13.178 -1.978 2.747 1.00 . A X . 4 LYS O 1 1 3 946 1 1 5 LEU C C -12.078 -1.338 -0.978 1.00 . A X . 5 LEU C 1 1 3 947 1 1 5 LEU CA C -12.825 -2.230 0.012 1.00 . A X . 5 LEU CA 1 1 3 948 1 1 5 LEU CB C -13.408 -3.453 -0.708 1.00 . A X . 5 LEU CB 1 1 3 949 1 1 5 LEU CD1 C -11.382 -4.910 -0.430 1.00 . A X . 5 LEU CD1 1 1 3 950 1 1 5 LEU CD2 C -13.098 -5.460 -2.167 1.00 . A X . 5 LEU CD2 1 1 3 951 1 1 5 LEU CG C -12.387 -4.342 -1.422 1.00 . A X . 5 LEU CG 1 1 3 952 1 1 5 LEU H H -14.518 -0.975 0.122 1.00 . A X . 5 LEU H 1 1 3 953 1 1 5 LEU HA H -12.134 -2.566 0.773 1.00 . A X . 5 LEU HA 1 1 3 954 1 1 5 LEU HB2 H -13.932 -4.059 0.018 1.00 . A X . 5 LEU HB2 1 1 3 955 1 1 5 LEU HB3 H -14.121 -3.107 -1.441 1.00 . A X . 5 LEU HB3 1 1 3 956 1 1 5 LEU HD11 H -10.686 -5.554 -0.948 1.00 . A X . 5 LEU HD11 1 1 3 957 1 1 5 LEU HD12 H -11.904 -5.478 0.326 1.00 . A X . 5 LEU HD12 1 1 3 958 1 1 5 LEU HD13 H -10.843 -4.100 0.037 1.00 . A X . 5 LEU HD13 1 1 3 959 1 1 5 LEU HD21 H -12.372 -6.062 -2.692 1.00 . A X . 5 LEU HD21 1 1 3 960 1 1 5 LEU HD22 H -13.792 -5.032 -2.877 1.00 . A X . 5 LEU HD22 1 1 3 961 1 1 5 LEU HD23 H -13.637 -6.075 -1.463 1.00 . A X . 5 LEU HD23 1 1 3 962 1 1 5 LEU HG H -11.844 -3.750 -2.145 1.00 . A X . 5 LEU HG 1 1 3 963 1 1 5 LEU N N -13.885 -1.483 0.670 1.00 . A X . 5 LEU N 1 1 3 964 1 1 5 LEU O O -12.524 -1.137 -2.105 1.00 . A X . 5 LEU O 1 1 3 965 1 1 6 ALA C C -8.645 -0.115 -1.058 1.00 . A X . 6 ALA C 1 1 3 966 1 1 6 ALA CA C -10.127 0.050 -1.399 1.00 . A X . 6 ALA CA 1 1 3 967 1 1 6 ALA CB C -10.550 1.507 -1.272 1.00 . A X . 6 ALA CB 1 1 3 968 1 1 6 ALA H H -10.669 -0.954 0.382 1.00 . A X . 6 ALA H 1 1 3 969 1 1 6 ALA HA H -10.285 -0.259 -2.423 1.00 . A X . 6 ALA HA 1 1 3 970 1 1 6 ALA HB1 H -11.588 1.607 -1.556 1.00 . A X . 6 ALA HB1 1 1 3 971 1 1 6 ALA HB2 H -9.939 2.120 -1.921 1.00 . A X . 6 ALA HB2 1 1 3 972 1 1 6 ALA HB3 H -10.426 1.831 -0.250 1.00 . A X . 6 ALA HB3 1 1 3 973 1 1 6 ALA N N -10.952 -0.793 -0.542 1.00 . A X . 6 ALA N 1 1 3 974 1 1 6 ALA O O -8.019 0.796 -0.515 1.00 . A X . 6 ALA O 1 1 3 975 1 1 7 PRO C C -5.680 -0.691 -1.808 1.00 . A X . 7 PRO C 1 1 3 976 1 1 7 PRO CA C -6.661 -1.590 -1.061 1.00 . A X . 7 PRO CA 1 1 3 977 1 1 7 PRO CB C -6.490 -3.051 -1.504 1.00 . A X . 7 PRO CB 1 1 3 978 1 1 7 PRO CD C -8.708 -2.398 -2.090 1.00 . A X . 7 PRO CD 1 1 3 979 1 1 7 PRO CG C -7.872 -3.575 -1.684 1.00 . A X . 7 PRO CG 1 1 3 980 1 1 7 PRO HA H -6.479 -1.511 0.000 1.00 . A X . 7 PRO HA 1 1 3 981 1 1 7 PRO HB2 H -5.935 -3.088 -2.430 1.00 . A X . 7 PRO HB2 1 1 3 982 1 1 7 PRO HB3 H -5.959 -3.597 -0.739 1.00 . A X . 7 PRO HB3 1 1 3 983 1 1 7 PRO HD2 H -8.670 -2.256 -3.159 1.00 . A X . 7 PRO HD2 1 1 3 984 1 1 7 PRO HD3 H -9.728 -2.523 -1.758 1.00 . A X . 7 PRO HD3 1 1 3 985 1 1 7 PRO HG2 H -7.884 -4.327 -2.458 1.00 . A X . 7 PRO HG2 1 1 3 986 1 1 7 PRO HG3 H -8.230 -3.986 -0.753 1.00 . A X . 7 PRO HG3 1 1 3 987 1 1 7 PRO N N -8.060 -1.283 -1.385 1.00 . A X . 7 PRO N 1 1 3 988 1 1 7 PRO O O -4.572 -0.429 -1.333 1.00 . A X . 7 PRO O 1 1 3 989 1 1 8 ALA C C -5.082 2.028 -3.164 1.00 . A X . 8 ALA C 1 1 3 990 1 1 8 ALA CA C -5.263 0.653 -3.798 1.00 . A X . 8 ALA CA 1 1 3 991 1 1 8 ALA CB C -5.858 0.787 -5.193 1.00 . A X . 8 ALA CB 1 1 3 992 1 1 8 ALA H H -7.013 -0.415 -3.270 1.00 . A X . 8 ALA H 1 1 3 993 1 1 8 ALA HA H -4.296 0.177 -3.889 1.00 . A X . 8 ALA HA 1 1 3 994 1 1 8 ALA HB1 H -6.822 1.268 -5.130 1.00 . A X . 8 ALA HB1 1 1 3 995 1 1 8 ALA HB2 H -5.972 -0.193 -5.633 1.00 . A X . 8 ALA HB2 1 1 3 996 1 1 8 ALA HB3 H -5.199 1.382 -5.809 1.00 . A X . 8 ALA HB3 1 1 3 997 1 1 8 ALA N N -6.106 -0.200 -2.967 1.00 . A X . 8 ALA N 1 1 3 998 1 1 8 ALA O O -4.198 2.793 -3.546 1.00 . A X . 8 ALA O 1 1 3 999 1 1 9 LYS C C -5.075 3.457 -0.186 1.00 . A X . 9 LYS C 1 1 3 1000 1 1 9 LYS CA C -5.835 3.611 -1.497 1.00 . A X . 9 LYS CA 1 1 3 1001 1 1 9 LYS CB C -7.236 4.165 -1.228 1.00 . A X . 9 LYS CB 1 1 3 1002 1 1 9 LYS CD C -9.445 4.921 -2.167 1.00 . A X . 9 LYS CD 1 1 3 1003 1 1 9 LYS CE C -9.304 6.391 -1.806 1.00 . A X . 9 LYS CE 1 1 3 1004 1 1 9 LYS CG C -8.096 4.288 -2.477 1.00 . A X . 9 LYS CG 1 1 3 1005 1 1 9 LYS H H -6.612 1.693 -1.924 1.00 . A X . 9 LYS H 1 1 3 1006 1 1 9 LYS HA H -5.299 4.300 -2.132 1.00 . A X . 9 LYS HA 1 1 3 1007 1 1 9 LYS HB2 H -7.740 3.509 -0.533 1.00 . A X . 9 LYS HB2 1 1 3 1008 1 1 9 LYS HB3 H -7.143 5.144 -0.782 1.00 . A X . 9 LYS HB3 1 1 3 1009 1 1 9 LYS HD2 H -10.082 4.833 -3.035 1.00 . A X . 9 LYS HD2 1 1 3 1010 1 1 9 LYS HD3 H -9.894 4.396 -1.336 1.00 . A X . 9 LYS HD3 1 1 3 1011 1 1 9 LYS HE2 H -8.644 6.477 -0.956 1.00 . A X . 9 LYS HE2 1 1 3 1012 1 1 9 LYS HE3 H -8.876 6.915 -2.647 1.00 . A X . 9 LYS HE3 1 1 3 1013 1 1 9 LYS HG2 H -7.581 4.901 -3.201 1.00 . A X . 9 LYS HG2 1 1 3 1014 1 1 9 LYS HG3 H -8.257 3.302 -2.888 1.00 . A X . 9 LYS HG3 1 1 3 1015 1 1 9 LYS HZ1 H -10.939 6.665 -0.535 1.00 . A X . 9 LYS HZ1 1 1 3 1016 1 1 9 LYS HZ2 H -11.325 6.771 -2.184 1.00 . A X . 9 LYS HZ2 1 1 3 1017 1 1 9 LYS HZ3 H -10.517 8.049 -1.423 1.00 . A X . 9 LYS HZ3 1 1 3 1018 1 1 9 LYS N N -5.919 2.337 -2.188 1.00 . A X . 9 LYS N 1 1 3 1019 1 1 9 LYS NZ N -10.611 7.011 -1.464 1.00 . A X . 9 LYS NZ 1 1 3 1020 1 1 9 LYS O O -4.898 4.423 0.555 1.00 . A X . 9 LYS O 1 1 3 1021 1 1 10 LEU C C -2.606 1.264 1.139 1.00 . A X . 10 LEU C 1 1 3 1022 1 1 10 LEU CA C -3.952 1.953 1.355 1.00 . A X . 10 LEU CA 1 1 3 1023 1 1 10 LEU CB C -4.849 1.075 2.234 1.00 . A X . 10 LEU CB 1 1 3 1024 1 1 10 LEU CD1 C -7.024 0.700 3.416 1.00 . A X . 10 LEU CD1 1 1 3 1025 1 1 10 LEU CD2 C -5.990 2.973 3.404 1.00 . A X . 10 LEU CD2 1 1 3 1026 1 1 10 LEU CG C -6.196 1.691 2.615 1.00 . A X . 10 LEU CG 1 1 3 1027 1 1 10 LEU H H -4.723 1.525 -0.569 1.00 . A X . 10 LEU H 1 1 3 1028 1 1 10 LEU HA H -3.782 2.892 1.860 1.00 . A X . 10 LEU HA 1 1 3 1029 1 1 10 LEU HB2 H -5.038 0.151 1.707 1.00 . A X . 10 LEU HB2 1 1 3 1030 1 1 10 LEU HB3 H -4.314 0.845 3.143 1.00 . A X . 10 LEU HB3 1 1 3 1031 1 1 10 LEU HD11 H -7.203 -0.182 2.820 1.00 . A X . 10 LEU HD11 1 1 3 1032 1 1 10 LEU HD12 H -7.968 1.152 3.683 1.00 . A X . 10 LEU HD12 1 1 3 1033 1 1 10 LEU HD13 H -6.489 0.426 4.313 1.00 . A X . 10 LEU HD13 1 1 3 1034 1 1 10 LEU HD21 H -6.950 3.383 3.679 1.00 . A X . 10 LEU HD21 1 1 3 1035 1 1 10 LEU HD22 H -5.453 3.687 2.796 1.00 . A X . 10 LEU HD22 1 1 3 1036 1 1 10 LEU HD23 H -5.420 2.760 4.297 1.00 . A X . 10 LEU HD23 1 1 3 1037 1 1 10 LEU HG H -6.742 1.933 1.717 1.00 . A X . 10 LEU HG 1 1 3 1038 1 1 10 LEU N N -4.616 2.241 0.092 1.00 . A X . 10 LEU N 1 1 3 1039 1 1 10 LEU O O -1.552 1.886 1.274 1.00 . A X . 10 LEU O 1 1 3 1040 1 1 11 ALA C C -0.703 -0.691 -0.608 1.00 . A X . 11 ALA C 1 1 3 1041 1 1 11 ALA CA C -1.447 -0.837 0.714 1.00 . A X . 11 ALA CA 1 1 3 1042 1 1 11 ALA CB C -1.806 -2.294 0.954 1.00 . A X . 11 ALA CB 1 1 3 1043 1 1 11 ALA H H -3.517 -0.410 0.533 1.00 . A X . 11 ALA H 1 1 3 1044 1 1 11 ALA HA H -0.796 -0.522 1.515 1.00 . A X . 11 ALA HA 1 1 3 1045 1 1 11 ALA HB1 H -2.294 -2.389 1.911 1.00 . A X . 11 ALA HB1 1 1 3 1046 1 1 11 ALA HB2 H -0.906 -2.892 0.946 1.00 . A X . 11 ALA HB2 1 1 3 1047 1 1 11 ALA HB3 H -2.472 -2.634 0.175 1.00 . A X . 11 ALA HB3 1 1 3 1048 1 1 11 ALA N N -2.650 -0.011 0.772 1.00 . A X . 11 ALA N 1 1 3 1049 1 1 11 ALA O O 0.285 -1.389 -0.850 1.00 . A X . 11 ALA O 1 1 3 1050 1 1 12 LEU C C 0.755 1.277 -2.523 1.00 . A X . 12 LEU C 1 1 3 1051 1 1 12 LEU CA C -0.511 0.454 -2.737 1.00 . A X . 12 LEU CA 1 1 3 1052 1 1 12 LEU CB C -1.455 1.176 -3.701 1.00 . A X . 12 LEU CB 1 1 3 1053 1 1 12 LEU CD1 C -0.696 0.025 -5.800 1.00 . A X . 12 LEU CD1 1 1 3 1054 1 1 12 LEU CD2 C -1.862 2.230 -5.944 1.00 . A X . 12 LEU CD2 1 1 3 1055 1 1 12 LEU CG C -0.914 1.368 -5.122 1.00 . A X . 12 LEU CG 1 1 3 1056 1 1 12 LEU H H -1.980 0.710 -1.230 1.00 . A X . 12 LEU H 1 1 3 1057 1 1 12 LEU HA H -0.238 -0.501 -3.159 1.00 . A X . 12 LEU HA 1 1 3 1058 1 1 12 LEU HB2 H -2.375 0.612 -3.760 1.00 . A X . 12 LEU HB2 1 1 3 1059 1 1 12 LEU HB3 H -1.676 2.150 -3.291 1.00 . A X . 12 LEU HB3 1 1 3 1060 1 1 12 LEU HD11 H 0.000 -0.563 -5.219 1.00 . A X . 12 LEU HD11 1 1 3 1061 1 1 12 LEU HD12 H -0.294 0.184 -6.790 1.00 . A X . 12 LEU HD12 1 1 3 1062 1 1 12 LEU HD13 H -1.637 -0.500 -5.872 1.00 . A X . 12 LEU HD13 1 1 3 1063 1 1 12 LEU HD21 H -2.825 1.747 -6.007 1.00 . A X . 12 LEU HD21 1 1 3 1064 1 1 12 LEU HD22 H -1.459 2.362 -6.939 1.00 . A X . 12 LEU HD22 1 1 3 1065 1 1 12 LEU HD23 H -1.976 3.193 -5.471 1.00 . A X . 12 LEU HD23 1 1 3 1066 1 1 12 LEU HG H 0.041 1.873 -5.072 1.00 . A X . 12 LEU HG 1 1 3 1067 1 1 12 LEU N N -1.172 0.206 -1.461 1.00 . A X . 12 LEU N 1 1 3 1068 1 1 12 LEU O O 1.765 1.075 -3.196 1.00 . A X . 12 LEU O 1 1 3 1069 1 1 13 LEU C C 2.729 2.366 -0.205 1.00 . A X . 13 LEU C 1 1 3 1070 1 1 13 LEU CA C 1.840 3.040 -1.248 1.00 . A X . 13 LEU CA 1 1 3 1071 1 1 13 LEU CB C 1.351 4.404 -0.742 1.00 . A X . 13 LEU CB 1 1 3 1072 1 1 13 LEU CD1 C 3.190 5.788 -1.757 1.00 . A X . 13 LEU CD1 1 1 3 1073 1 1 13 LEU CD2 C 1.853 6.694 0.153 1.00 . A X . 13 LEU CD2 1 1 3 1074 1 1 13 LEU CG C 2.447 5.442 -0.476 1.00 . A X . 13 LEU CG 1 1 3 1075 1 1 13 LEU H H -0.114 2.274 -1.032 1.00 . A X . 13 LEU H 1 1 3 1076 1 1 13 LEU HA H 2.411 3.179 -2.154 1.00 . A X . 13 LEU HA 1 1 3 1077 1 1 13 LEU HB2 H 0.668 4.810 -1.474 1.00 . A X . 13 LEU HB2 1 1 3 1078 1 1 13 LEU HB3 H 0.810 4.246 0.178 1.00 . A X . 13 LEU HB3 1 1 3 1079 1 1 13 LEU HD11 H 2.496 6.199 -2.476 1.00 . A X . 13 LEU HD11 1 1 3 1080 1 1 13 LEU HD12 H 3.643 4.897 -2.164 1.00 . A X . 13 LEU HD12 1 1 3 1081 1 1 13 LEU HD13 H 3.957 6.516 -1.540 1.00 . A X . 13 LEU HD13 1 1 3 1082 1 1 13 LEU HD21 H 2.643 7.400 0.362 1.00 . A X . 13 LEU HD21 1 1 3 1083 1 1 13 LEU HD22 H 1.351 6.433 1.074 1.00 . A X . 13 LEU HD22 1 1 3 1084 1 1 13 LEU HD23 H 1.144 7.139 -0.529 1.00 . A X . 13 LEU HD23 1 1 3 1085 1 1 13 LEU HG H 3.161 5.027 0.218 1.00 . A X . 13 LEU HG 1 1 3 1086 1 1 13 LEU N N 0.704 2.185 -1.559 1.00 . A X . 13 LEU N 1 1 3 1087 1 1 13 LEU O O 2.924 2.875 0.896 1.00 . A X . 13 LEU O 1 1 3 1088 1 1 14 TRP C C 5.239 -0.214 -0.409 1.00 . A X . 14 TRP C 1 1 3 1089 1 1 14 TRP CA C 4.095 0.447 0.351 1.00 . A X . 14 TRP CA 1 1 3 1090 1 1 14 TRP CB C 3.260 -0.612 1.079 1.00 . A X . 14 TRP CB 1 1 3 1091 1 1 14 TRP CD1 C 3.921 -0.828 3.539 1.00 . A X . 14 TRP CD1 1 1 3 1092 1 1 14 TRP CD2 C 4.805 -2.402 2.221 1.00 . A X . 14 TRP CD2 1 1 3 1093 1 1 14 TRP CE2 C 5.236 -2.629 3.542 1.00 . A X . 14 TRP CE2 1 1 3 1094 1 1 14 TRP CE3 C 5.236 -3.272 1.214 1.00 . A X . 14 TRP CE3 1 1 3 1095 1 1 14 TRP CG C 3.961 -1.245 2.243 1.00 . A X . 14 TRP CG 1 1 3 1096 1 1 14 TRP CH2 C 6.484 -4.519 2.875 1.00 . A X . 14 TRP CH2 1 1 3 1097 1 1 14 TRP CZ2 C 6.077 -3.686 3.880 1.00 . A X . 14 TRP CZ2 1 1 3 1098 1 1 14 TRP CZ3 C 6.071 -4.320 1.552 1.00 . A X . 14 TRP CZ3 1 1 3 1099 1 1 14 TRP H H 3.063 0.852 -1.454 1.00 . A X . 14 TRP H 1 1 3 1100 1 1 14 TRP HA H 4.508 1.132 1.077 1.00 . A X . 14 TRP HA 1 1 3 1101 1 1 14 TRP HB2 H 2.359 -0.152 1.450 1.00 . A X . 14 TRP HB2 1 1 3 1102 1 1 14 TRP HB3 H 2.997 -1.394 0.380 1.00 . A X . 14 TRP HB3 1 1 3 1103 1 1 14 TRP HD1 H 3.365 0.030 3.881 1.00 . A X . 14 TRP HD1 1 1 3 1104 1 1 14 TRP HE1 H 4.806 -1.564 5.300 1.00 . A X . 14 TRP HE1 1 1 3 1105 1 1 14 TRP HE3 H 4.926 -3.136 0.186 1.00 . A X . 14 TRP HE3 1 1 3 1106 1 1 14 TRP HH2 H 7.135 -5.350 3.094 1.00 . A X . 14 TRP HH2 1 1 3 1107 1 1 14 TRP HZ2 H 6.404 -3.855 4.895 1.00 . A X . 14 TRP HZ2 1 1 3 1108 1 1 14 TRP HZ3 H 6.414 -5.002 0.788 1.00 . A X . 14 TRP HZ3 1 1 3 1109 1 1 14 TRP N N 3.251 1.206 -0.560 1.00 . A X . 14 TRP N 1 1 3 1110 1 1 14 TRP NE1 N 4.681 -1.656 4.327 1.00 . A X . 14 TRP NE1 1 1 3 1111 1 1 14 TRP O O 6.379 -0.233 0.058 1.00 . A X . 14 TRP O 1 1 3 1112 1 1 15 LYS C C 7.134 -0.643 -2.702 1.00 . A X . 15 LYS C 1 1 3 1113 1 1 15 LYS CA C 5.895 -1.475 -2.395 1.00 . A X . 15 LYS CA 1 1 3 1114 1 1 15 LYS CB C 5.250 -1.950 -3.698 1.00 . A X . 15 LYS CB 1 1 3 1115 1 1 15 LYS CD C 3.587 -3.478 -4.808 1.00 . A X . 15 LYS CD 1 1 3 1116 1 1 15 LYS CE C 2.827 -4.785 -4.657 1.00 . A X . 15 LYS CE 1 1 3 1117 1 1 15 LYS CG C 4.224 -3.050 -3.495 1.00 . A X . 15 LYS CG 1 1 3 1118 1 1 15 LYS H H 4.015 -0.625 -1.933 1.00 . A X . 15 LYS H 1 1 3 1119 1 1 15 LYS HA H 6.196 -2.340 -1.825 1.00 . A X . 15 LYS HA 1 1 3 1120 1 1 15 LYS HB2 H 4.761 -1.112 -4.173 1.00 . A X . 15 LYS HB2 1 1 3 1121 1 1 15 LYS HB3 H 6.024 -2.323 -4.353 1.00 . A X . 15 LYS HB3 1 1 3 1122 1 1 15 LYS HD2 H 2.898 -2.711 -5.132 1.00 . A X . 15 LYS HD2 1 1 3 1123 1 1 15 LYS HD3 H 4.361 -3.606 -5.551 1.00 . A X . 15 LYS HD3 1 1 3 1124 1 1 15 LYS HE2 H 2.119 -4.687 -3.848 1.00 . A X . 15 LYS HE2 1 1 3 1125 1 1 15 LYS HE3 H 2.296 -4.987 -5.578 1.00 . A X . 15 LYS HE3 1 1 3 1126 1 1 15 LYS HG2 H 4.712 -3.905 -3.051 1.00 . A X . 15 LYS HG2 1 1 3 1127 1 1 15 LYS HG3 H 3.452 -2.689 -2.832 1.00 . A X . 15 LYS HG3 1 1 3 1128 1 1 15 LYS HZ1 H 4.290 -5.729 -3.498 1.00 . A X . 15 LYS HZ1 1 1 3 1129 1 1 15 LYS HZ2 H 4.403 -6.059 -5.159 1.00 . A X . 15 LYS HZ2 1 1 3 1130 1 1 15 LYS HZ3 H 3.193 -6.800 -4.228 1.00 . A X . 15 LYS HZ3 1 1 3 1131 1 1 15 LYS N N 4.926 -0.736 -1.591 1.00 . A X . 15 LYS N 1 1 3 1132 1 1 15 LYS NZ N 3.740 -5.921 -4.364 1.00 . A X . 15 LYS NZ 1 1 3 1133 1 1 15 LYS O O 8.245 -1.017 -2.329 1.00 . A X . 15 LYS O 1 1 3 1134 1 1 16 ALA C C 8.654 2.035 -2.525 1.00 . A X . 16 ALA C 1 1 3 1135 1 1 16 ALA CA C 8.044 1.360 -3.746 1.00 . A X . 16 ALA CA 1 1 3 1136 1 1 16 ALA CB C 7.580 2.401 -4.754 1.00 . A X . 16 ALA CB 1 1 3 1137 1 1 16 ALA H H 6.015 0.754 -3.599 1.00 . A X . 16 ALA H 1 1 3 1138 1 1 16 ALA HA H 8.797 0.747 -4.218 1.00 . A X . 16 ALA HA 1 1 3 1139 1 1 16 ALA HB1 H 6.838 3.038 -4.298 1.00 . A X . 16 ALA HB1 1 1 3 1140 1 1 16 ALA HB2 H 7.151 1.906 -5.615 1.00 . A X . 16 ALA HB2 1 1 3 1141 1 1 16 ALA HB3 H 8.422 2.999 -5.066 1.00 . A X . 16 ALA HB3 1 1 3 1142 1 1 16 ALA N N 6.935 0.492 -3.362 1.00 . A X . 16 ALA N 1 1 3 1143 1 1 16 ALA O O 9.802 2.478 -2.552 1.00 . A X . 16 ALA O 1 1 3 1144 1 1 17 LEU C C 9.384 1.831 0.461 1.00 . A X . 17 LEU C 1 1 3 1145 1 1 17 LEU CA C 8.341 2.714 -0.217 1.00 . A X . 17 LEU CA 1 1 3 1146 1 1 17 LEU CB C 7.158 2.963 0.726 1.00 . A X . 17 LEU CB 1 1 3 1147 1 1 17 LEU CD1 C 8.106 5.025 1.799 1.00 . A X . 17 LEU CD1 1 1 3 1148 1 1 17 LEU CD2 C 6.274 3.755 2.933 1.00 . A X . 17 LEU CD2 1 1 3 1149 1 1 17 LEU CG C 7.507 3.649 2.049 1.00 . A X . 17 LEU CG 1 1 3 1150 1 1 17 LEU H H 6.985 1.710 -1.487 1.00 . A X . 17 LEU H 1 1 3 1151 1 1 17 LEU HA H 8.796 3.661 -0.469 1.00 . A X . 17 LEU HA 1 1 3 1152 1 1 17 LEU HB2 H 6.436 3.577 0.206 1.00 . A X . 17 LEU HB2 1 1 3 1153 1 1 17 LEU HB3 H 6.698 2.012 0.951 1.00 . A X . 17 LEU HB3 1 1 3 1154 1 1 17 LEU HD11 H 9.019 4.923 1.230 1.00 . A X . 17 LEU HD11 1 1 3 1155 1 1 17 LEU HD12 H 8.323 5.500 2.744 1.00 . A X . 17 LEU HD12 1 1 3 1156 1 1 17 LEU HD13 H 7.402 5.630 1.246 1.00 . A X . 17 LEU HD13 1 1 3 1157 1 1 17 LEU HD21 H 5.895 2.767 3.144 1.00 . A X . 17 LEU HD21 1 1 3 1158 1 1 17 LEU HD22 H 5.515 4.331 2.423 1.00 . A X . 17 LEU HD22 1 1 3 1159 1 1 17 LEU HD23 H 6.535 4.245 3.860 1.00 . A X . 17 LEU HD23 1 1 3 1160 1 1 17 LEU HG H 8.242 3.055 2.570 1.00 . A X . 17 LEU HG 1 1 3 1161 1 1 17 LEU N N 7.884 2.097 -1.451 1.00 . A X . 17 LEU N 1 1 3 1162 1 1 17 LEU O O 10.527 2.245 0.653 1.00 . A X . 17 LEU O 1 1 3 1163 1 1 18 ALA C C 11.048 -0.738 0.584 1.00 . A X . 18 ALA C 1 1 3 1164 1 1 18 ALA CA C 9.878 -0.331 1.473 1.00 . A X . 18 ALA CA 1 1 3 1165 1 1 18 ALA CB C 9.099 -1.558 1.922 1.00 . A X . 18 ALA CB 1 1 3 1166 1 1 18 ALA H H 8.079 0.312 0.550 1.00 . A X . 18 ALA H 1 1 3 1167 1 1 18 ALA HA H 10.263 0.163 2.353 1.00 . A X . 18 ALA HA 1 1 3 1168 1 1 18 ALA HB1 H 9.744 -2.202 2.505 1.00 . A X . 18 ALA HB1 1 1 3 1169 1 1 18 ALA HB2 H 8.741 -2.096 1.057 1.00 . A X . 18 ALA HB2 1 1 3 1170 1 1 18 ALA HB3 H 8.259 -1.248 2.525 1.00 . A X . 18 ALA HB3 1 1 3 1171 1 1 18 ALA N N 8.993 0.603 0.783 1.00 . A X . 18 ALA N 1 1 3 1172 1 1 18 ALA O O 12.129 -1.063 1.074 1.00 . A X . 18 ALA O 1 1 3 1173 1 1 19 LEU C C 13.130 -0.271 -1.508 1.00 . A X . 19 LEU C 1 1 3 1174 1 1 19 LEU CA C 11.844 -1.076 -1.706 1.00 . A X . 19 LEU CA 1 1 3 1175 1 1 19 LEU CB C 11.314 -0.867 -3.126 1.00 . A X . 19 LEU CB 1 1 3 1176 1 1 19 LEU CD1 C 12.390 -2.881 -4.140 1.00 . A X . 19 LEU CD1 1 1 3 1177 1 1 19 LEU CD2 C 11.669 -0.986 -5.601 1.00 . A X . 19 LEU CD2 1 1 3 1178 1 1 19 LEU CG C 12.227 -1.375 -4.242 1.00 . A X . 19 LEU CG 1 1 3 1179 1 1 19 LEU H H 9.946 -0.401 -1.049 1.00 . A X . 19 LEU H 1 1 3 1180 1 1 19 LEU HA H 12.063 -2.123 -1.564 1.00 . A X . 19 LEU HA 1 1 3 1181 1 1 19 LEU HB2 H 10.363 -1.373 -3.210 1.00 . A X . 19 LEU HB2 1 1 3 1182 1 1 19 LEU HB3 H 11.154 0.189 -3.275 1.00 . A X . 19 LEU HB3 1 1 3 1183 1 1 19 LEU HD11 H 13.054 -3.227 -4.919 1.00 . A X . 19 LEU HD11 1 1 3 1184 1 1 19 LEU HD12 H 11.426 -3.355 -4.252 1.00 . A X . 19 LEU HD12 1 1 3 1185 1 1 19 LEU HD13 H 12.805 -3.133 -3.176 1.00 . A X . 19 LEU HD13 1 1 3 1186 1 1 19 LEU HD21 H 12.326 -1.349 -6.378 1.00 . A X . 19 LEU HD21 1 1 3 1187 1 1 19 LEU HD22 H 11.595 0.090 -5.664 1.00 . A X . 19 LEU HD22 1 1 3 1188 1 1 19 LEU HD23 H 10.689 -1.422 -5.724 1.00 . A X . 19 LEU HD23 1 1 3 1189 1 1 19 LEU HG H 13.204 -0.923 -4.137 1.00 . A X . 19 LEU HG 1 1 3 1190 1 1 19 LEU N N 10.826 -0.694 -0.728 1.00 . A X . 19 LEU N 1 1 3 1191 1 1 19 LEU O O 14.231 -0.828 -1.473 1.00 . A X . 19 LEU O 1 1 3 1192 1 1 20 LYS C C 14.365 2.181 0.312 1.00 . A X . 20 LYS C 1 1 3 1193 1 1 20 LYS CA C 14.130 1.913 -1.170 1.00 . A X . 20 LYS CA 1 1 3 1194 1 1 20 LYS CB C 13.947 3.232 -1.922 1.00 . A X . 20 LYS CB 1 1 3 1195 1 1 20 LYS CD C 12.550 5.266 -2.355 1.00 . A X . 20 LYS CD 1 1 3 1196 1 1 20 LYS CE C 11.161 5.875 -2.272 1.00 . A X . 20 LYS CE 1 1 3 1197 1 1 20 LYS CG C 12.617 3.918 -1.659 1.00 . A X . 20 LYS CG 1 1 3 1198 1 1 20 LYS H H 12.082 1.424 -1.398 1.00 . A X . 20 LYS H 1 1 3 1199 1 1 20 LYS HA H 14.996 1.404 -1.568 1.00 . A X . 20 LYS HA 1 1 3 1200 1 1 20 LYS HB2 H 14.736 3.908 -1.631 1.00 . A X . 20 LYS HB2 1 1 3 1201 1 1 20 LYS HB3 H 14.024 3.041 -2.982 1.00 . A X . 20 LYS HB3 1 1 3 1202 1 1 20 LYS HD2 H 13.253 5.936 -1.885 1.00 . A X . 20 LYS HD2 1 1 3 1203 1 1 20 LYS HD3 H 12.814 5.138 -3.395 1.00 . A X . 20 LYS HD3 1 1 3 1204 1 1 20 LYS HE2 H 10.832 5.850 -1.244 1.00 . A X . 20 LYS HE2 1 1 3 1205 1 1 20 LYS HE3 H 11.212 6.900 -2.607 1.00 . A X . 20 LYS HE3 1 1 3 1206 1 1 20 LYS HG2 H 11.818 3.292 -2.028 1.00 . A X . 20 LYS HG2 1 1 3 1207 1 1 20 LYS HG3 H 12.503 4.065 -0.595 1.00 . A X . 20 LYS HG3 1 1 3 1208 1 1 20 LYS HZ1 H 10.434 5.227 -4.120 1.00 . A X . 20 LYS HZ1 1 1 3 1209 1 1 20 LYS HZ2 H 9.223 5.530 -2.972 1.00 . A X . 20 LYS HZ2 1 1 3 1210 1 1 20 LYS HZ3 H 10.170 4.132 -2.852 1.00 . A X . 20 LYS HZ3 1 1 3 1211 1 1 20 LYS N N 12.983 1.038 -1.368 1.00 . A X . 20 LYS N 1 1 3 1212 1 1 20 LYS NZ N 10.180 5.140 -3.110 1.00 . A X . 20 LYS NZ 1 1 3 1213 1 1 20 LYS O O 15.366 2.787 0.690 1.00 . A X . 20 LYS O 1 1 3 1214 1 1 21 LEU C C 14.555 0.840 3.133 1.00 . A X . 21 LEU C 1 1 3 1215 1 1 21 LEU CA C 13.575 1.876 2.588 1.00 . A X . 21 LEU CA 1 1 3 1216 1 1 21 LEU CB C 12.210 1.743 3.273 1.00 . A X . 21 LEU CB 1 1 3 1217 1 1 21 LEU CD1 C 12.614 3.511 5.009 1.00 . A X . 21 LEU CD1 1 1 3 1218 1 1 21 LEU CD2 C 10.803 1.826 5.343 1.00 . A X . 21 LEU CD2 1 1 3 1219 1 1 21 LEU CG C 12.189 2.071 4.768 1.00 . A X . 21 LEU CG 1 1 3 1220 1 1 21 LEU H H 12.645 1.284 0.783 1.00 . A X . 21 LEU H 1 1 3 1221 1 1 21 LEU HA H 13.971 2.862 2.780 1.00 . A X . 21 LEU HA 1 1 3 1222 1 1 21 LEU HB2 H 11.515 2.403 2.773 1.00 . A X . 21 LEU HB2 1 1 3 1223 1 1 21 LEU HB3 H 11.867 0.727 3.147 1.00 . A X . 21 LEU HB3 1 1 3 1224 1 1 21 LEU HD11 H 11.933 4.177 4.501 1.00 . A X . 21 LEU HD11 1 1 3 1225 1 1 21 LEU HD12 H 13.614 3.660 4.629 1.00 . A X . 21 LEU HD12 1 1 3 1226 1 1 21 LEU HD13 H 12.597 3.719 6.069 1.00 . A X . 21 LEU HD13 1 1 3 1227 1 1 21 LEU HD21 H 10.080 2.423 4.807 1.00 . A X . 21 LEU HD21 1 1 3 1228 1 1 21 LEU HD22 H 10.794 2.102 6.387 1.00 . A X . 21 LEU HD22 1 1 3 1229 1 1 21 LEU HD23 H 10.552 0.780 5.245 1.00 . A X . 21 LEU HD23 1 1 3 1230 1 1 21 LEU HG H 12.885 1.425 5.283 1.00 . A X . 21 LEU HG 1 1 3 1231 1 1 21 LEU N N 13.441 1.724 1.146 1.00 . A X . 21 LEU N 1 1 3 1232 1 1 21 LEU O O 15.290 1.100 4.087 1.00 . A X . 21 LEU O 1 1 3 1233 1 1 22 LYS C C 16.769 -1.236 1.986 1.00 . A X . 22 LYS C 1 1 3 1234 1 1 22 LYS CA C 15.528 -1.372 2.870 1.00 . A X . 22 LYS CA 1 1 3 1235 1 1 22 LYS CB C 14.918 -2.775 2.730 1.00 . A X . 22 LYS CB 1 1 3 1236 1 1 22 LYS CD C 13.836 -4.505 1.220 1.00 . A X . 22 LYS CD 1 1 3 1237 1 1 22 LYS CE C 14.775 -5.671 1.531 1.00 . A X . 22 LYS CE 1 1 3 1238 1 1 22 LYS CG C 14.534 -3.147 1.303 1.00 . A X . 22 LYS CG 1 1 3 1239 1 1 22 LYS H H 13.876 -0.532 1.839 1.00 . A X . 22 LYS H 1 1 3 1240 1 1 22 LYS HA H 15.818 -1.217 3.900 1.00 . A X . 22 LYS HA 1 1 3 1241 1 1 22 LYS HB2 H 15.633 -3.503 3.084 1.00 . A X . 22 LYS HB2 1 1 3 1242 1 1 22 LYS HB3 H 14.030 -2.830 3.344 1.00 . A X . 22 LYS HB3 1 1 3 1243 1 1 22 LYS HD2 H 13.023 -4.518 1.930 1.00 . A X . 22 LYS HD2 1 1 3 1244 1 1 22 LYS HD3 H 13.440 -4.632 0.222 1.00 . A X . 22 LYS HD3 1 1 3 1245 1 1 22 LYS HE2 H 14.343 -6.580 1.138 1.00 . A X . 22 LYS HE2 1 1 3 1246 1 1 22 LYS HE3 H 15.721 -5.489 1.044 1.00 . A X . 22 LYS HE3 1 1 3 1247 1 1 22 LYS HG2 H 13.870 -2.389 0.915 1.00 . A X . 22 LYS HG2 1 1 3 1248 1 1 22 LYS HG3 H 15.432 -3.178 0.702 1.00 . A X . 22 LYS HG3 1 1 3 1249 1 1 22 LYS HZ1 H 14.118 -6.091 3.474 1.00 . A X . 22 LYS HZ1 1 1 3 1250 1 1 22 LYS HZ2 H 15.380 -4.968 3.405 1.00 . A X . 22 LYS HZ2 1 1 3 1251 1 1 22 LYS HZ3 H 15.705 -6.608 3.159 1.00 . A X . 22 LYS HZ3 1 1 3 1252 1 1 22 LYS N N 14.556 -0.343 2.523 1.00 . A X . 22 LYS N 1 1 3 1253 1 1 22 LYS NZ N 15.011 -5.845 2.992 1.00 . A X . 22 LYS NZ 1 1 3 1254 1 1 22 LYS O O 17.856 -1.708 2.324 1.00 . A X . 22 LYS O 1 1 3 1255 1 1 23 LYS C C 18.408 -1.478 -0.545 1.00 . A X . 23 LYS C 1 1 3 1256 1 1 23 LYS CA C 17.620 -0.237 -0.115 1.00 . A X . 23 LYS CA 1 1 3 1257 1 1 23 LYS CB C 18.547 0.837 0.480 1.00 . A X . 23 LYS CB 1 1 3 1258 1 1 23 LYS CD C 18.689 2.109 -1.691 1.00 . A X . 23 LYS CD 1 1 3 1259 1 1 23 LYS CE C 17.880 3.322 -1.259 1.00 . A X . 23 LYS CE 1 1 3 1260 1 1 23 LYS CG C 19.471 1.499 -0.538 1.00 . A X . 23 LYS CG 1 1 3 1261 1 1 23 LYS H H 15.645 -0.301 0.625 1.00 . A X . 23 LYS H 1 1 3 1262 1 1 23 LYS HA H 17.141 0.175 -0.991 1.00 . A X . 23 LYS HA 1 1 3 1263 1 1 23 LYS HB2 H 17.940 1.608 0.932 1.00 . A X . 23 LYS HB2 1 1 3 1264 1 1 23 LYS HB3 H 19.159 0.381 1.245 1.00 . A X . 23 LYS HB3 1 1 3 1265 1 1 23 LYS HD2 H 19.383 2.410 -2.461 1.00 . A X . 23 LYS HD2 1 1 3 1266 1 1 23 LYS HD3 H 18.015 1.362 -2.088 1.00 . A X . 23 LYS HD3 1 1 3 1267 1 1 23 LYS HE2 H 17.183 3.569 -2.045 1.00 . A X . 23 LYS HE2 1 1 3 1268 1 1 23 LYS HE3 H 17.333 3.071 -0.361 1.00 . A X . 23 LYS HE3 1 1 3 1269 1 1 23 LYS HG2 H 20.032 2.279 -0.047 1.00 . A X . 23 LYS HG2 1 1 3 1270 1 1 23 LYS HG3 H 20.151 0.756 -0.929 1.00 . A X . 23 LYS HG3 1 1 3 1271 1 1 23 LYS HZ1 H 19.387 4.318 -0.194 1.00 . A X . 23 LYS HZ1 1 1 3 1272 1 1 23 LYS HZ2 H 18.141 5.329 -0.750 1.00 . A X . 23 LYS HZ2 1 1 3 1273 1 1 23 LYS HZ3 H 19.301 4.740 -1.836 1.00 . A X . 23 LYS HZ3 1 1 3 1274 1 1 23 LYS N N 16.560 -0.575 0.839 1.00 . A X . 23 LYS N 1 1 3 1275 1 1 23 LYS NZ N 18.737 4.507 -0.988 1.00 . A X . 23 LYS NZ 1 1 3 1276 1 1 23 LYS O O 19.627 -1.440 -0.693 1.00 . A X . 23 LYS O 1 1 3 1277 1 1 24 ALA C C 17.856 -4.210 -2.571 1.00 . A X . 24 ALA C 1 1 3 1278 1 1 24 ALA CA C 18.329 -3.814 -1.180 1.00 . A X . 24 ALA CA 1 1 3 1279 1 1 24 ALA CB C 18.042 -4.921 -0.178 1.00 . A X . 24 ALA CB 1 1 3 1280 1 1 24 ALA H H 16.728 -2.547 -0.652 1.00 . A X . 24 ALA H 1 1 3 1281 1 1 24 ALA HA H 19.396 -3.651 -1.208 1.00 . A X . 24 ALA HA 1 1 3 1282 1 1 24 ALA HB1 H 18.361 -4.608 0.805 1.00 . A X . 24 ALA HB1 1 1 3 1283 1 1 24 ALA HB2 H 18.579 -5.813 -0.465 1.00 . A X . 24 ALA HB2 1 1 3 1284 1 1 24 ALA HB3 H 16.982 -5.127 -0.163 1.00 . A X . 24 ALA HB3 1 1 3 1285 1 1 24 ALA N N 17.699 -2.574 -0.763 1.00 . A X . 24 ALA N 1 1 3 1286 1 1 24 ALA O O 18.578 -3.935 -3.551 1.00 . A X . 24 ALA O 1 1 3 1287 1 1 24 ALA OXT O 16.752 -4.772 -2.686 1.00 . A X . 24 ALA OXT 1 1 4 1288 1 1 1 LYS C C -22.165 0.408 -5.117 1.00 . A X . 1 LYS C 1 1 4 1289 1 1 1 LYS CA C -22.377 -0.378 -6.409 1.00 . A X . 1 LYS CA 1 1 4 1290 1 1 1 LYS CB C -22.095 0.515 -7.629 1.00 . A X . 1 LYS CB 1 1 4 1291 1 1 1 LYS CD C -22.746 2.508 -9.014 1.00 . A X . 1 LYS CD 1 1 4 1292 1 1 1 LYS CE C -21.546 3.357 -8.619 1.00 . A X . 1 LYS CE 1 1 4 1293 1 1 1 LYS CG C -23.161 1.569 -7.893 1.00 . A X . 1 LYS CG 1 1 4 1294 1 1 1 LYS H1 H -23.891 -1.618 -5.699 1.00 . A X . 1 LYS H1 1 1 4 1295 1 1 1 LYS H2 H -23.919 -1.390 -7.381 1.00 . A X . 1 LYS H2 1 1 4 1296 1 1 1 LYS H3 H -24.445 -0.151 -6.349 1.00 . A X . 1 LYS H3 1 1 4 1297 1 1 1 LYS HA H -21.690 -1.211 -6.419 1.00 . A X . 1 LYS HA 1 1 4 1298 1 1 1 LYS HB2 H -21.155 1.022 -7.474 1.00 . A X . 1 LYS HB2 1 1 4 1299 1 1 1 LYS HB3 H -22.012 -0.112 -8.506 1.00 . A X . 1 LYS HB3 1 1 4 1300 1 1 1 LYS HD2 H -22.486 1.920 -9.883 1.00 . A X . 1 LYS HD2 1 1 4 1301 1 1 1 LYS HD3 H -23.574 3.159 -9.252 1.00 . A X . 1 LYS HD3 1 1 4 1302 1 1 1 LYS HE2 H -20.755 2.703 -8.286 1.00 . A X . 1 LYS HE2 1 1 4 1303 1 1 1 LYS HE3 H -21.213 3.910 -9.484 1.00 . A X . 1 LYS HE3 1 1 4 1304 1 1 1 LYS HG2 H -24.081 1.077 -8.171 1.00 . A X . 1 LYS HG2 1 1 4 1305 1 1 1 LYS HG3 H -23.315 2.144 -6.992 1.00 . A X . 1 LYS HG3 1 1 4 1306 1 1 1 LYS HZ1 H -22.297 3.816 -6.720 1.00 . A X . 1 LYS HZ1 1 1 4 1307 1 1 1 LYS HZ2 H -22.545 5.037 -7.869 1.00 . A X . 1 LYS HZ2 1 1 4 1308 1 1 1 LYS HZ3 H -21.005 4.798 -7.204 1.00 . A X . 1 LYS HZ3 1 1 4 1309 1 1 1 LYS N N -23.750 -0.922 -6.465 1.00 . A X . 1 LYS N 1 1 4 1310 1 1 1 LYS NZ N -21.871 4.315 -7.527 1.00 . A X . 1 LYS NZ 1 1 4 1311 1 1 1 LYS O O -22.061 1.635 -5.123 1.00 . A X . 1 LYS O 1 1 4 1312 1 1 2 LYS C C -20.790 -0.405 -1.947 1.00 . A X . 2 LYS C 1 1 4 1313 1 1 2 LYS CA C -21.896 0.325 -2.710 1.00 . A X . 2 LYS CA 1 1 4 1314 1 1 2 LYS CB C -23.205 0.331 -1.911 1.00 . A X . 2 LYS CB 1 1 4 1315 1 1 2 LYS CD C -24.538 1.226 0.007 1.00 . A X . 2 LYS CD 1 1 4 1316 1 1 2 LYS CE C -24.565 2.176 1.188 1.00 . A X . 2 LYS CE 1 1 4 1317 1 1 2 LYS CG C -23.202 1.263 -0.710 1.00 . A X . 2 LYS CG 1 1 4 1318 1 1 2 LYS H H -22.221 -1.282 -4.048 1.00 . A X . 2 LYS H 1 1 4 1319 1 1 2 LYS HA H -21.584 1.344 -2.884 1.00 . A X . 2 LYS HA 1 1 4 1320 1 1 2 LYS HB2 H -24.009 0.633 -2.564 1.00 . A X . 2 LYS HB2 1 1 4 1321 1 1 2 LYS HB3 H -23.400 -0.672 -1.558 1.00 . A X . 2 LYS HB3 1 1 4 1322 1 1 2 LYS HD2 H -25.316 1.509 -0.687 1.00 . A X . 2 LYS HD2 1 1 4 1323 1 1 2 LYS HD3 H -24.717 0.220 0.360 1.00 . A X . 2 LYS HD3 1 1 4 1324 1 1 2 LYS HE2 H -23.808 1.874 1.896 1.00 . A X . 2 LYS HE2 1 1 4 1325 1 1 2 LYS HE3 H -24.351 3.175 0.837 1.00 . A X . 2 LYS HE3 1 1 4 1326 1 1 2 LYS HG2 H -22.426 0.952 -0.024 1.00 . A X . 2 LYS HG2 1 1 4 1327 1 1 2 LYS HG3 H -23.010 2.272 -1.044 1.00 . A X . 2 LYS HG3 1 1 4 1328 1 1 2 LYS HZ1 H -25.875 2.829 2.681 1.00 . A X . 2 LYS HZ1 1 1 4 1329 1 1 2 LYS HZ2 H -26.117 1.219 2.205 1.00 . A X . 2 LYS HZ2 1 1 4 1330 1 1 2 LYS HZ3 H -26.631 2.485 1.201 1.00 . A X . 2 LYS HZ3 1 1 4 1331 1 1 2 LYS N N -22.109 -0.306 -4.003 1.00 . A X . 2 LYS N 1 1 4 1332 1 1 2 LYS NZ N -25.888 2.177 1.866 1.00 . A X . 2 LYS NZ 1 1 4 1333 1 1 2 LYS O O -20.960 -0.802 -0.792 1.00 . A X . 2 LYS O 1 1 4 1334 1 1 3 LEU C C -17.489 -0.248 -1.531 1.00 . A X . 3 LEU C 1 1 4 1335 1 1 3 LEU CA C -18.517 -1.264 -2.006 1.00 . A X . 3 LEU CA 1 1 4 1336 1 1 3 LEU CB C -17.857 -2.231 -3.001 1.00 . A X . 3 LEU CB 1 1 4 1337 1 1 3 LEU CD1 C -19.849 -3.179 -4.227 1.00 . A X . 3 LEU CD1 1 1 4 1338 1 1 3 LEU CD2 C -17.750 -4.512 -4.027 1.00 . A X . 3 LEU CD2 1 1 4 1339 1 1 3 LEU CG C -18.653 -3.498 -3.344 1.00 . A X . 3 LEU CG 1 1 4 1340 1 1 3 LEU H H -19.573 -0.253 -3.531 1.00 . A X . 3 LEU H 1 1 4 1341 1 1 3 LEU HA H -18.875 -1.824 -1.154 1.00 . A X . 3 LEU HA 1 1 4 1342 1 1 3 LEU HB2 H -17.677 -1.692 -3.920 1.00 . A X . 3 LEU HB2 1 1 4 1343 1 1 3 LEU HB3 H -16.904 -2.533 -2.592 1.00 . A X . 3 LEU HB3 1 1 4 1344 1 1 3 LEU HD11 H -19.506 -2.721 -5.142 1.00 . A X . 3 LEU HD11 1 1 4 1345 1 1 3 LEU HD12 H -20.508 -2.497 -3.708 1.00 . A X . 3 LEU HD12 1 1 4 1346 1 1 3 LEU HD13 H -20.382 -4.089 -4.457 1.00 . A X . 3 LEU HD13 1 1 4 1347 1 1 3 LEU HD21 H -17.350 -4.083 -4.934 1.00 . A X . 3 LEU HD21 1 1 4 1348 1 1 3 LEU HD22 H -18.321 -5.398 -4.269 1.00 . A X . 3 LEU HD22 1 1 4 1349 1 1 3 LEU HD23 H -16.939 -4.777 -3.366 1.00 . A X . 3 LEU HD23 1 1 4 1350 1 1 3 LEU HG H -19.023 -3.941 -2.431 1.00 . A X . 3 LEU HG 1 1 4 1351 1 1 3 LEU N N -19.654 -0.587 -2.608 1.00 . A X . 3 LEU N 1 1 4 1352 1 1 3 LEU O O -16.933 0.512 -2.327 1.00 . A X . 3 LEU O 1 1 4 1353 1 1 4 LYS C C -14.904 -0.102 0.387 1.00 . A X . 4 LYS C 1 1 4 1354 1 1 4 LYS CA C -16.233 0.636 0.349 1.00 . A X . 4 LYS CA 1 1 4 1355 1 1 4 LYS CB C -16.609 1.080 1.768 1.00 . A X . 4 LYS CB 1 1 4 1356 1 1 4 LYS CD C -19.088 1.529 1.478 1.00 . A X . 4 LYS CD 1 1 4 1357 1 1 4 LYS CE C -20.213 2.515 1.751 1.00 . A X . 4 LYS CE 1 1 4 1358 1 1 4 LYS CG C -17.729 2.113 1.842 1.00 . A X . 4 LYS CG 1 1 4 1359 1 1 4 LYS H H -17.772 -0.821 0.360 1.00 . A X . 4 LYS H 1 1 4 1360 1 1 4 LYS HA H -16.135 1.503 -0.282 1.00 . A X . 4 LYS HA 1 1 4 1361 1 1 4 LYS HB2 H -16.919 0.211 2.327 1.00 . A X . 4 LYS HB2 1 1 4 1362 1 1 4 LYS HB3 H -15.733 1.501 2.240 1.00 . A X . 4 LYS HB3 1 1 4 1363 1 1 4 LYS HD2 H -19.092 1.277 0.428 1.00 . A X . 4 LYS HD2 1 1 4 1364 1 1 4 LYS HD3 H -19.253 0.636 2.065 1.00 . A X . 4 LYS HD3 1 1 4 1365 1 1 4 LYS HE2 H -20.013 3.431 1.214 1.00 . A X . 4 LYS HE2 1 1 4 1366 1 1 4 LYS HE3 H -21.142 2.089 1.400 1.00 . A X . 4 LYS HE3 1 1 4 1367 1 1 4 LYS HG2 H -17.778 2.501 2.848 1.00 . A X . 4 LYS HG2 1 1 4 1368 1 1 4 LYS HG3 H -17.502 2.919 1.158 1.00 . A X . 4 LYS HG3 1 1 4 1369 1 1 4 LYS HZ1 H -21.112 3.503 3.362 1.00 . A X . 4 LYS HZ1 1 1 4 1370 1 1 4 LYS HZ2 H -19.449 3.235 3.560 1.00 . A X . 4 LYS HZ2 1 1 4 1371 1 1 4 LYS HZ3 H -20.543 1.948 3.737 1.00 . A X . 4 LYS HZ3 1 1 4 1372 1 1 4 LYS N N -17.253 -0.228 -0.229 1.00 . A X . 4 LYS N 1 1 4 1373 1 1 4 LYS NZ N -20.338 2.824 3.201 1.00 . A X . 4 LYS NZ 1 1 4 1374 1 1 4 LYS O O -13.834 0.493 0.231 1.00 . A X . 4 LYS O 1 1 4 1375 1 1 5 LEU C C -13.432 -2.793 -0.705 1.00 . A X . 5 LEU C 1 1 4 1376 1 1 5 LEU CA C -13.805 -2.251 0.671 1.00 . A X . 5 LEU CA 1 1 4 1377 1 1 5 LEU CB C -14.044 -3.406 1.648 1.00 . A X . 5 LEU CB 1 1 4 1378 1 1 5 LEU CD1 C -14.663 -4.218 3.930 1.00 . A X . 5 LEU CD1 1 1 4 1379 1 1 5 LEU CD2 C -13.270 -2.157 3.678 1.00 . A X . 5 LEU CD2 1 1 4 1380 1 1 5 LEU CG C -14.392 -2.990 3.078 1.00 . A X . 5 LEU CG 1 1 4 1381 1 1 5 LEU H H -15.876 -1.814 0.688 1.00 . A X . 5 LEU H 1 1 4 1382 1 1 5 LEU HA H -12.989 -1.646 1.037 1.00 . A X . 5 LEU HA 1 1 4 1383 1 1 5 LEU HB2 H -14.851 -4.014 1.265 1.00 . A X . 5 LEU HB2 1 1 4 1384 1 1 5 LEU HB3 H -13.149 -4.010 1.685 1.00 . A X . 5 LEU HB3 1 1 4 1385 1 1 5 LEU HD11 H -14.926 -3.912 4.932 1.00 . A X . 5 LEU HD11 1 1 4 1386 1 1 5 LEU HD12 H -13.777 -4.833 3.961 1.00 . A X . 5 LEU HD12 1 1 4 1387 1 1 5 LEU HD13 H -15.478 -4.781 3.499 1.00 . A X . 5 LEU HD13 1 1 4 1388 1 1 5 LEU HD21 H -13.544 -1.850 4.676 1.00 . A X . 5 LEU HD21 1 1 4 1389 1 1 5 LEU HD22 H -13.103 -1.283 3.065 1.00 . A X . 5 LEU HD22 1 1 4 1390 1 1 5 LEU HD23 H -12.368 -2.747 3.716 1.00 . A X . 5 LEU HD23 1 1 4 1391 1 1 5 LEU HG H -15.291 -2.385 3.064 1.00 . A X . 5 LEU HG 1 1 4 1392 1 1 5 LEU N N -14.987 -1.407 0.589 1.00 . A X . 5 LEU N 1 1 4 1393 1 1 5 LEU O O -13.603 -3.978 -0.992 1.00 . A X . 5 LEU O 1 1 4 1394 1 1 6 ALA C C -11.113 -1.709 -3.172 1.00 . A X . 6 ALA C 1 1 4 1395 1 1 6 ALA CA C -12.486 -2.299 -2.880 1.00 . A X . 6 ALA CA 1 1 4 1396 1 1 6 ALA CB C -13.498 -1.860 -3.929 1.00 . A X . 6 ALA CB 1 1 4 1397 1 1 6 ALA H H -12.852 -0.973 -1.278 1.00 . A X . 6 ALA H 1 1 4 1398 1 1 6 ALA HA H -12.418 -3.377 -2.907 1.00 . A X . 6 ALA HA 1 1 4 1399 1 1 6 ALA HB1 H -13.562 -0.782 -3.938 1.00 . A X . 6 ALA HB1 1 1 4 1400 1 1 6 ALA HB2 H -14.465 -2.277 -3.692 1.00 . A X . 6 ALA HB2 1 1 4 1401 1 1 6 ALA HB3 H -13.183 -2.210 -4.902 1.00 . A X . 6 ALA HB3 1 1 4 1402 1 1 6 ALA N N -12.930 -1.911 -1.553 1.00 . A X . 6 ALA N 1 1 4 1403 1 1 6 ALA O O -10.986 -0.737 -3.920 1.00 . A X . 6 ALA O 1 1 4 1404 1 1 7 PRO C C -8.091 -2.269 -4.071 1.00 . A X . 7 PRO C 1 1 4 1405 1 1 7 PRO CA C -8.684 -1.824 -2.739 1.00 . A X . 7 PRO CA 1 1 4 1406 1 1 7 PRO CB C -7.932 -2.472 -1.562 1.00 . A X . 7 PRO CB 1 1 4 1407 1 1 7 PRO CD C -10.108 -3.463 -1.699 1.00 . A X . 7 PRO CD 1 1 4 1408 1 1 7 PRO CG C -8.961 -3.211 -0.766 1.00 . A X . 7 PRO CG 1 1 4 1409 1 1 7 PRO HA H -8.622 -0.747 -2.662 1.00 . A X . 7 PRO HA 1 1 4 1410 1 1 7 PRO HB2 H -7.178 -3.141 -1.945 1.00 . A X . 7 PRO HB2 1 1 4 1411 1 1 7 PRO HB3 H -7.463 -1.699 -0.972 1.00 . A X . 7 PRO HB3 1 1 4 1412 1 1 7 PRO HD2 H -9.950 -4.374 -2.258 1.00 . A X . 7 PRO HD2 1 1 4 1413 1 1 7 PRO HD3 H -11.040 -3.501 -1.159 1.00 . A X . 7 PRO HD3 1 1 4 1414 1 1 7 PRO HG2 H -8.549 -4.146 -0.418 1.00 . A X . 7 PRO HG2 1 1 4 1415 1 1 7 PRO HG3 H -9.283 -2.606 0.070 1.00 . A X . 7 PRO HG3 1 1 4 1416 1 1 7 PRO N N -10.057 -2.292 -2.576 1.00 . A X . 7 PRO N 1 1 4 1417 1 1 7 PRO O O -7.092 -2.986 -4.115 1.00 . A X . 7 PRO O 1 1 4 1418 1 1 8 ALA C C -6.921 -1.633 -6.841 1.00 . A X . 8 ALA C 1 1 4 1419 1 1 8 ALA CA C -8.294 -2.206 -6.499 1.00 . A X . 8 ALA CA 1 1 4 1420 1 1 8 ALA CB C -9.326 -1.744 -7.517 1.00 . A X . 8 ALA CB 1 1 4 1421 1 1 8 ALA H H -9.490 -1.237 -5.042 1.00 . A X . 8 ALA H 1 1 4 1422 1 1 8 ALA HA H -8.243 -3.285 -6.541 1.00 . A X . 8 ALA HA 1 1 4 1423 1 1 8 ALA HB1 H -10.283 -2.189 -7.287 1.00 . A X . 8 ALA HB1 1 1 4 1424 1 1 8 ALA HB2 H -9.017 -2.043 -8.508 1.00 . A X . 8 ALA HB2 1 1 4 1425 1 1 8 ALA HB3 H -9.412 -0.667 -7.477 1.00 . A X . 8 ALA HB3 1 1 4 1426 1 1 8 ALA N N -8.713 -1.828 -5.154 1.00 . A X . 8 ALA N 1 1 4 1427 1 1 8 ALA O O -6.249 -2.110 -7.757 1.00 . A X . 8 ALA O 1 1 4 1428 1 1 9 LYS C C -4.550 0.390 -5.007 1.00 . A X . 9 LYS C 1 1 4 1429 1 1 9 LYS CA C -5.210 0.017 -6.331 1.00 . A X . 9 LYS CA 1 1 4 1430 1 1 9 LYS CB C -5.352 1.265 -7.208 1.00 . A X . 9 LYS CB 1 1 4 1431 1 1 9 LYS CD C -4.207 3.212 -8.316 1.00 . A X . 9 LYS CD 1 1 4 1432 1 1 9 LYS CE C -2.873 3.889 -8.596 1.00 . A X . 9 LYS CE 1 1 4 1433 1 1 9 LYS CG C -4.025 1.945 -7.501 1.00 . A X . 9 LYS CG 1 1 4 1434 1 1 9 LYS H H -7.094 -0.258 -5.403 1.00 . A X . 9 LYS H 1 1 4 1435 1 1 9 LYS HA H -4.586 -0.700 -6.840 1.00 . A X . 9 LYS HA 1 1 4 1436 1 1 9 LYS HB2 H -5.807 0.986 -8.147 1.00 . A X . 9 LYS HB2 1 1 4 1437 1 1 9 LYS HB3 H -5.992 1.975 -6.705 1.00 . A X . 9 LYS HB3 1 1 4 1438 1 1 9 LYS HD2 H -4.676 2.959 -9.255 1.00 . A X . 9 LYS HD2 1 1 4 1439 1 1 9 LYS HD3 H -4.839 3.894 -7.767 1.00 . A X . 9 LYS HD3 1 1 4 1440 1 1 9 LYS HE2 H -3.061 4.832 -9.088 1.00 . A X . 9 LYS HE2 1 1 4 1441 1 1 9 LYS HE3 H -2.374 4.068 -7.655 1.00 . A X . 9 LYS HE3 1 1 4 1442 1 1 9 LYS HG2 H -3.548 2.197 -6.566 1.00 . A X . 9 LYS HG2 1 1 4 1443 1 1 9 LYS HG3 H -3.397 1.260 -8.052 1.00 . A X . 9 LYS HG3 1 1 4 1444 1 1 9 LYS HZ1 H -1.901 2.095 -9.082 1.00 . A X . 9 LYS HZ1 1 1 4 1445 1 1 9 LYS HZ2 H -1.039 3.486 -9.513 1.00 . A X . 9 LYS HZ2 1 1 4 1446 1 1 9 LYS HZ3 H -2.383 3.008 -10.430 1.00 . A X . 9 LYS HZ3 1 1 4 1447 1 1 9 LYS N N -6.510 -0.603 -6.110 1.00 . A X . 9 LYS N 1 1 4 1448 1 1 9 LYS NZ N -1.990 3.061 -9.464 1.00 . A X . 9 LYS NZ 1 1 4 1449 1 1 9 LYS O O -3.337 0.263 -4.848 1.00 . A X . 9 LYS O 1 1 4 1450 1 1 10 LEU C C -4.713 0.194 -1.754 1.00 . A X . 10 LEU C 1 1 4 1451 1 1 10 LEU CA C -4.836 1.321 -2.777 1.00 . A X . 10 LEU CA 1 1 4 1452 1 1 10 LEU CB C -5.724 2.441 -2.210 1.00 . A X . 10 LEU CB 1 1 4 1453 1 1 10 LEU CD1 C -6.492 3.637 -4.300 1.00 . A X . 10 LEU CD1 1 1 4 1454 1 1 10 LEU CD2 C -6.338 4.872 -2.134 1.00 . A X . 10 LEU CD2 1 1 4 1455 1 1 10 LEU CG C -5.734 3.768 -2.988 1.00 . A X . 10 LEU CG 1 1 4 1456 1 1 10 LEU H H -6.323 0.844 -4.204 1.00 . A X . 10 LEU H 1 1 4 1457 1 1 10 LEU HA H -3.850 1.722 -2.960 1.00 . A X . 10 LEU HA 1 1 4 1458 1 1 10 LEU HB2 H -6.737 2.072 -2.167 1.00 . A X . 10 LEU HB2 1 1 4 1459 1 1 10 LEU HB3 H -5.394 2.647 -1.203 1.00 . A X . 10 LEU HB3 1 1 4 1460 1 1 10 LEU HD11 H -7.506 3.326 -4.100 1.00 . A X . 10 LEU HD11 1 1 4 1461 1 1 10 LEU HD12 H -6.006 2.903 -4.925 1.00 . A X . 10 LEU HD12 1 1 4 1462 1 1 10 LEU HD13 H -6.500 4.591 -4.806 1.00 . A X . 10 LEU HD13 1 1 4 1463 1 1 10 LEU HD21 H -5.763 4.978 -1.226 1.00 . A X . 10 LEU HD21 1 1 4 1464 1 1 10 LEU HD22 H -7.358 4.619 -1.886 1.00 . A X . 10 LEU HD22 1 1 4 1465 1 1 10 LEU HD23 H -6.321 5.803 -2.682 1.00 . A X . 10 LEU HD23 1 1 4 1466 1 1 10 LEU HG H -4.717 4.048 -3.222 1.00 . A X . 10 LEU HG 1 1 4 1467 1 1 10 LEU N N -5.357 0.835 -4.051 1.00 . A X . 10 LEU N 1 1 4 1468 1 1 10 LEU O O -4.784 0.431 -0.548 1.00 . A X . 10 LEU O 1 1 4 1469 1 1 11 ALA C C -2.971 -2.136 -0.710 1.00 . A X . 11 ALA C 1 1 4 1470 1 1 11 ALA CA C -4.347 -2.179 -1.361 1.00 . A X . 11 ALA CA 1 1 4 1471 1 1 11 ALA CB C -4.522 -3.476 -2.138 1.00 . A X . 11 ALA CB 1 1 4 1472 1 1 11 ALA H H -4.521 -1.158 -3.209 1.00 . A X . 11 ALA H 1 1 4 1473 1 1 11 ALA HA H -5.104 -2.140 -0.590 1.00 . A X . 11 ALA HA 1 1 4 1474 1 1 11 ALA HB1 H -4.414 -4.315 -1.465 1.00 . A X . 11 ALA HB1 1 1 4 1475 1 1 11 ALA HB2 H -3.772 -3.537 -2.913 1.00 . A X . 11 ALA HB2 1 1 4 1476 1 1 11 ALA HB3 H -5.505 -3.499 -2.587 1.00 . A X . 11 ALA HB3 1 1 4 1477 1 1 11 ALA N N -4.533 -1.028 -2.238 1.00 . A X . 11 ALA N 1 1 4 1478 1 1 11 ALA O O -2.849 -2.117 0.517 1.00 . A X . 11 ALA O 1 1 4 1479 1 1 12 LEU C C 0.198 -0.934 -1.753 1.00 . A X . 12 LEU C 1 1 4 1480 1 1 12 LEU CA C -0.570 -2.045 -1.048 1.00 . A X . 12 LEU CA 1 1 4 1481 1 1 12 LEU CB C 0.141 -3.388 -1.239 1.00 . A X . 12 LEU CB 1 1 4 1482 1 1 12 LEU CD1 C 1.601 -3.193 0.796 1.00 . A X . 12 LEU CD1 1 1 4 1483 1 1 12 LEU CD2 C 2.209 -4.785 -1.037 1.00 . A X . 12 LEU CD2 1 1 4 1484 1 1 12 LEU CG C 1.576 -3.444 -0.706 1.00 . A X . 12 LEU CG 1 1 4 1485 1 1 12 LEU H H -2.096 -2.128 -2.511 1.00 . A X . 12 LEU H 1 1 4 1486 1 1 12 LEU HA H -0.610 -1.818 0.007 1.00 . A X . 12 LEU HA 1 1 4 1487 1 1 12 LEU HB2 H -0.437 -4.153 -0.739 1.00 . A X . 12 LEU HB2 1 1 4 1488 1 1 12 LEU HB3 H 0.165 -3.610 -2.294 1.00 . A X . 12 LEU HB3 1 1 4 1489 1 1 12 LEU HD11 H 2.623 -3.203 1.147 1.00 . A X . 12 LEU HD11 1 1 4 1490 1 1 12 LEU HD12 H 1.041 -3.965 1.299 1.00 . A X . 12 LEU HD12 1 1 4 1491 1 1 12 LEU HD13 H 1.158 -2.230 1.008 1.00 . A X . 12 LEU HD13 1 1 4 1492 1 1 12 LEU HD21 H 2.211 -4.931 -2.108 1.00 . A X . 12 LEU HD21 1 1 4 1493 1 1 12 LEU HD22 H 1.643 -5.575 -0.568 1.00 . A X . 12 LEU HD22 1 1 4 1494 1 1 12 LEU HD23 H 3.225 -4.803 -0.670 1.00 . A X . 12 LEU HD23 1 1 4 1495 1 1 12 LEU HG H 2.160 -2.670 -1.185 1.00 . A X . 12 LEU HG 1 1 4 1496 1 1 12 LEU N N -1.936 -2.107 -1.539 1.00 . A X . 12 LEU N 1 1 4 1497 1 1 12 LEU O O 0.805 -1.145 -2.806 1.00 . A X . 12 LEU O 1 1 4 1498 1 1 13 LEU C C 2.255 1.498 -1.093 1.00 . A X . 13 LEU C 1 1 4 1499 1 1 13 LEU CA C 0.869 1.401 -1.717 1.00 . A X . 13 LEU CA 1 1 4 1500 1 1 13 LEU CB C 0.087 2.689 -1.451 1.00 . A X . 13 LEU CB 1 1 4 1501 1 1 13 LEU CD1 C -2.033 4.005 -1.617 1.00 . A X . 13 LEU CD1 1 1 4 1502 1 1 13 LEU CD2 C -1.294 2.600 -3.540 1.00 . A X . 13 LEU CD2 1 1 4 1503 1 1 13 LEU CG C -1.330 2.723 -2.025 1.00 . A X . 13 LEU CG 1 1 4 1504 1 1 13 LEU H H -0.388 0.370 -0.363 1.00 . A X . 13 LEU H 1 1 4 1505 1 1 13 LEU HA H 0.971 1.262 -2.783 1.00 . A X . 13 LEU HA 1 1 4 1506 1 1 13 LEU HB2 H 0.024 2.830 -0.381 1.00 . A X . 13 LEU HB2 1 1 4 1507 1 1 13 LEU HB3 H 0.639 3.515 -1.872 1.00 . A X . 13 LEU HB3 1 1 4 1508 1 1 13 LEU HD11 H -2.081 4.062 -0.540 1.00 . A X . 13 LEU HD11 1 1 4 1509 1 1 13 LEU HD12 H -3.033 4.012 -2.024 1.00 . A X . 13 LEU HD12 1 1 4 1510 1 1 13 LEU HD13 H -1.482 4.851 -1.997 1.00 . A X . 13 LEU HD13 1 1 4 1511 1 1 13 LEU HD21 H -0.844 1.658 -3.816 1.00 . A X . 13 LEU HD21 1 1 4 1512 1 1 13 LEU HD22 H -0.711 3.410 -3.952 1.00 . A X . 13 LEU HD22 1 1 4 1513 1 1 13 LEU HD23 H -2.301 2.647 -3.930 1.00 . A X . 13 LEU HD23 1 1 4 1514 1 1 13 LEU HG H -1.897 1.890 -1.633 1.00 . A X . 13 LEU HG 1 1 4 1515 1 1 13 LEU N N 0.151 0.255 -1.174 1.00 . A X . 13 LEU N 1 1 4 1516 1 1 13 LEU O O 3.126 2.217 -1.582 1.00 . A X . 13 LEU O 1 1 4 1517 1 1 14 TRP C C 4.747 -0.138 0.203 1.00 . A X . 14 TRP C 1 1 4 1518 1 1 14 TRP CA C 3.685 0.807 0.751 1.00 . A X . 14 TRP CA 1 1 4 1519 1 1 14 TRP CB C 3.386 0.483 2.215 1.00 . A X . 14 TRP CB 1 1 4 1520 1 1 14 TRP CD1 C 2.507 2.590 3.384 1.00 . A X . 14 TRP CD1 1 1 4 1521 1 1 14 TRP CD2 C 0.923 1.099 2.858 1.00 . A X . 14 TRP CD2 1 1 4 1522 1 1 14 TRP CE2 C 0.312 2.198 3.491 1.00 . A X . 14 TRP CE2 1 1 4 1523 1 1 14 TRP CE3 C 0.118 0.030 2.442 1.00 . A X . 14 TRP CE3 1 1 4 1524 1 1 14 TRP CG C 2.329 1.366 2.804 1.00 . A X . 14 TRP CG 1 1 4 1525 1 1 14 TRP CH2 C -1.825 1.206 3.285 1.00 . A X . 14 TRP CH2 1 1 4 1526 1 1 14 TRP CZ2 C -1.064 2.263 3.706 1.00 . A X . 14 TRP CZ2 1 1 4 1527 1 1 14 TRP CZ3 C -1.246 0.101 2.653 1.00 . A X . 14 TRP CZ3 1 1 4 1528 1 1 14 TRP H H 1.765 0.102 0.236 1.00 . A X . 14 TRP H 1 1 4 1529 1 1 14 TRP HA H 4.059 1.819 0.687 1.00 . A X . 14 TRP HA 1 1 4 1530 1 1 14 TRP HB2 H 3.049 -0.541 2.291 1.00 . A X . 14 TRP HB2 1 1 4 1531 1 1 14 TRP HB3 H 4.288 0.607 2.797 1.00 . A X . 14 TRP HB3 1 1 4 1532 1 1 14 TRP HD1 H 3.462 3.077 3.493 1.00 . A X . 14 TRP HD1 1 1 4 1533 1 1 14 TRP HE1 H 1.162 3.961 4.248 1.00 . A X . 14 TRP HE1 1 1 4 1534 1 1 14 TRP HE3 H 0.546 -0.835 1.952 1.00 . A X . 14 TRP HE3 1 1 4 1535 1 1 14 TRP HH2 H -2.895 1.217 3.430 1.00 . A X . 14 TRP HH2 1 1 4 1536 1 1 14 TRP HZ2 H -1.527 3.110 4.187 1.00 . A X . 14 TRP HZ2 1 1 4 1537 1 1 14 TRP HZ3 H -1.882 -0.713 2.335 1.00 . A X . 14 TRP HZ3 1 1 4 1538 1 1 14 TRP N N 2.460 0.735 -0.031 1.00 . A X . 14 TRP N 1 1 4 1539 1 1 14 TRP NE1 N 1.299 3.094 3.800 1.00 . A X . 14 TRP NE1 1 1 4 1540 1 1 14 TRP O O 5.465 -0.795 0.952 1.00 . A X . 14 TRP O 1 1 4 1541 1 1 15 LYS C C 6.856 -0.084 -2.474 1.00 . A X . 15 LYS C 1 1 4 1542 1 1 15 LYS CA C 5.855 -0.998 -1.775 1.00 . A X . 15 LYS CA 1 1 4 1543 1 1 15 LYS CB C 5.203 -1.948 -2.787 1.00 . A X . 15 LYS CB 1 1 4 1544 1 1 15 LYS CD C 6.978 -3.731 -2.680 1.00 . A X . 15 LYS CD 1 1 4 1545 1 1 15 LYS CE C 8.002 -4.524 -3.473 1.00 . A X . 15 LYS CE 1 1 4 1546 1 1 15 LYS CG C 6.194 -2.790 -3.578 1.00 . A X . 15 LYS CG 1 1 4 1547 1 1 15 LYS H H 4.196 0.307 -1.654 1.00 . A X . 15 LYS H 1 1 4 1548 1 1 15 LYS HA H 6.371 -1.576 -1.023 1.00 . A X . 15 LYS HA 1 1 4 1549 1 1 15 LYS HB2 H 4.542 -2.617 -2.257 1.00 . A X . 15 LYS HB2 1 1 4 1550 1 1 15 LYS HB3 H 4.622 -1.365 -3.487 1.00 . A X . 15 LYS HB3 1 1 4 1551 1 1 15 LYS HD2 H 7.490 -3.152 -1.926 1.00 . A X . 15 LYS HD2 1 1 4 1552 1 1 15 LYS HD3 H 6.291 -4.416 -2.206 1.00 . A X . 15 LYS HD3 1 1 4 1553 1 1 15 LYS HE2 H 8.692 -3.836 -3.937 1.00 . A X . 15 LYS HE2 1 1 4 1554 1 1 15 LYS HE3 H 8.541 -5.170 -2.794 1.00 . A X . 15 LYS HE3 1 1 4 1555 1 1 15 LYS HG2 H 5.650 -3.374 -4.306 1.00 . A X . 15 LYS HG2 1 1 4 1556 1 1 15 LYS HG3 H 6.884 -2.135 -4.085 1.00 . A X . 15 LYS HG3 1 1 4 1557 1 1 15 LYS HZ1 H 6.803 -4.758 -5.173 1.00 . A X . 15 LYS HZ1 1 1 4 1558 1 1 15 LYS HZ2 H 6.743 -6.073 -4.101 1.00 . A X . 15 LYS HZ2 1 1 4 1559 1 1 15 LYS HZ3 H 8.101 -5.846 -5.091 1.00 . A X . 15 LYS HZ3 1 1 4 1560 1 1 15 LYS N N 4.837 -0.199 -1.112 1.00 . A X . 15 LYS N 1 1 4 1561 1 1 15 LYS NZ N 7.369 -5.356 -4.532 1.00 . A X . 15 LYS NZ 1 1 4 1562 1 1 15 LYS O O 8.045 -0.380 -2.546 1.00 . A X . 15 LYS O 1 1 4 1563 1 1 16 ALA C C 8.293 2.581 -2.847 1.00 . A X . 16 ALA C 1 1 4 1564 1 1 16 ALA CA C 7.177 1.992 -3.706 1.00 . A X . 16 ALA CA 1 1 4 1565 1 1 16 ALA CB C 6.302 3.097 -4.275 1.00 . A X . 16 ALA CB 1 1 4 1566 1 1 16 ALA H H 5.414 1.254 -2.810 1.00 . A X . 16 ALA H 1 1 4 1567 1 1 16 ALA HA H 7.621 1.461 -4.534 1.00 . A X . 16 ALA HA 1 1 4 1568 1 1 16 ALA HB1 H 5.838 3.640 -3.466 1.00 . A X . 16 ALA HB1 1 1 4 1569 1 1 16 ALA HB2 H 5.538 2.663 -4.902 1.00 . A X . 16 ALA HB2 1 1 4 1570 1 1 16 ALA HB3 H 6.910 3.771 -4.860 1.00 . A X . 16 ALA HB3 1 1 4 1571 1 1 16 ALA N N 6.360 1.048 -2.958 1.00 . A X . 16 ALA N 1 1 4 1572 1 1 16 ALA O O 9.442 2.659 -3.281 1.00 . A X . 16 ALA O 1 1 4 1573 1 1 17 LEU C C 9.704 2.535 0.054 1.00 . A X . 17 LEU C 1 1 4 1574 1 1 17 LEU CA C 8.923 3.593 -0.721 1.00 . A X . 17 LEU CA 1 1 4 1575 1 1 17 LEU CB C 8.226 4.534 0.278 1.00 . A X . 17 LEU CB 1 1 4 1576 1 1 17 LEU CD1 C 7.057 4.897 2.471 1.00 . A X . 17 LEU CD1 1 1 4 1577 1 1 17 LEU CD2 C 6.380 2.982 1.045 1.00 . A X . 17 LEU CD2 1 1 4 1578 1 1 17 LEU CG C 7.545 3.857 1.482 1.00 . A X . 17 LEU CG 1 1 4 1579 1 1 17 LEU H H 7.023 2.871 -1.332 1.00 . A X . 17 LEU H 1 1 4 1580 1 1 17 LEU HA H 9.616 4.166 -1.317 1.00 . A X . 17 LEU HA 1 1 4 1581 1 1 17 LEU HB2 H 8.967 5.227 0.658 1.00 . A X . 17 LEU HB2 1 1 4 1582 1 1 17 LEU HB3 H 7.478 5.099 -0.256 1.00 . A X . 17 LEU HB3 1 1 4 1583 1 1 17 LEU HD11 H 6.342 5.545 1.987 1.00 . A X . 17 LEU HD11 1 1 4 1584 1 1 17 LEU HD12 H 7.895 5.481 2.823 1.00 . A X . 17 LEU HD12 1 1 4 1585 1 1 17 LEU HD13 H 6.586 4.402 3.308 1.00 . A X . 17 LEU HD13 1 1 4 1586 1 1 17 LEU HD21 H 6.737 2.215 0.374 1.00 . A X . 17 LEU HD21 1 1 4 1587 1 1 17 LEU HD22 H 5.644 3.590 0.541 1.00 . A X . 17 LEU HD22 1 1 4 1588 1 1 17 LEU HD23 H 5.932 2.521 1.913 1.00 . A X . 17 LEU HD23 1 1 4 1589 1 1 17 LEU HG H 8.265 3.230 1.988 1.00 . A X . 17 LEU HG 1 1 4 1590 1 1 17 LEU N N 7.953 2.979 -1.627 1.00 . A X . 17 LEU N 1 1 4 1591 1 1 17 LEU O O 10.674 2.851 0.740 1.00 . A X . 17 LEU O 1 1 4 1592 1 1 18 ALA C C 11.157 -0.300 0.127 1.00 . A X . 18 ALA C 1 1 4 1593 1 1 18 ALA CA C 9.863 0.216 0.741 1.00 . A X . 18 ALA CA 1 1 4 1594 1 1 18 ALA CB C 8.867 -0.920 0.908 1.00 . A X . 18 ALA CB 1 1 4 1595 1 1 18 ALA H H 8.575 1.073 -0.702 1.00 . A X . 18 ALA H 1 1 4 1596 1 1 18 ALA HA H 10.080 0.617 1.718 1.00 . A X . 18 ALA HA 1 1 4 1597 1 1 18 ALA HB1 H 9.281 -1.669 1.567 1.00 . A X . 18 ALA HB1 1 1 4 1598 1 1 18 ALA HB2 H 8.662 -1.363 -0.055 1.00 . A X . 18 ALA HB2 1 1 4 1599 1 1 18 ALA HB3 H 7.951 -0.535 1.330 1.00 . A X . 18 ALA HB3 1 1 4 1600 1 1 18 ALA N N 9.282 1.284 -0.060 1.00 . A X . 18 ALA N 1 1 4 1601 1 1 18 ALA O O 12.064 -0.734 0.845 1.00 . A X . 18 ALA O 1 1 4 1602 1 1 19 LEU C C 13.693 -0.155 -1.441 1.00 . A X . 19 LEU C 1 1 4 1603 1 1 19 LEU CA C 12.385 -0.777 -1.927 1.00 . A X . 19 LEU CA 1 1 4 1604 1 1 19 LEU CB C 12.222 -0.556 -3.432 1.00 . A X . 19 LEU CB 1 1 4 1605 1 1 19 LEU CD1 C 13.388 -2.671 -4.116 1.00 . A X . 19 LEU CD1 1 1 4 1606 1 1 19 LEU CD2 C 13.101 -0.812 -5.761 1.00 . A X . 19 LEU CD2 1 1 4 1607 1 1 19 LEU CG C 13.327 -1.161 -4.301 1.00 . A X . 19 LEU CG 1 1 4 1608 1 1 19 LEU H H 10.513 0.182 -1.704 1.00 . A X . 19 LEU H 1 1 4 1609 1 1 19 LEU HA H 12.421 -1.838 -1.734 1.00 . A X . 19 LEU HA 1 1 4 1610 1 1 19 LEU HB2 H 11.279 -0.987 -3.737 1.00 . A X . 19 LEU HB2 1 1 4 1611 1 1 19 LEU HB3 H 12.190 0.507 -3.619 1.00 . A X . 19 LEU HB3 1 1 4 1612 1 1 19 LEU HD11 H 13.581 -2.899 -3.079 1.00 . A X . 19 LEU HD11 1 1 4 1613 1 1 19 LEU HD12 H 14.181 -3.076 -4.727 1.00 . A X . 19 LEU HD12 1 1 4 1614 1 1 19 LEU HD13 H 12.446 -3.108 -4.413 1.00 . A X . 19 LEU HD13 1 1 4 1615 1 1 19 LEU HD21 H 13.898 -1.230 -6.359 1.00 . A X . 19 LEU HD21 1 1 4 1616 1 1 19 LEU HD22 H 13.088 0.261 -5.877 1.00 . A X . 19 LEU HD22 1 1 4 1617 1 1 19 LEU HD23 H 12.155 -1.221 -6.085 1.00 . A X . 19 LEU HD23 1 1 4 1618 1 1 19 LEU HG H 14.281 -0.749 -4.002 1.00 . A X . 19 LEU HG 1 1 4 1619 1 1 19 LEU N N 11.241 -0.237 -1.201 1.00 . A X . 19 LEU N 1 1 4 1620 1 1 19 LEU O O 14.523 -0.836 -0.836 1.00 . A X . 19 LEU O 1 1 4 1621 1 1 20 LYS C C 14.993 2.304 0.165 1.00 . A X . 20 LYS C 1 1 4 1622 1 1 20 LYS CA C 15.088 1.817 -1.279 1.00 . A X . 20 LYS CA 1 1 4 1623 1 1 20 LYS CB C 15.386 2.982 -2.225 1.00 . A X . 20 LYS CB 1 1 4 1624 1 1 20 LYS CD C 17.125 4.543 -3.168 1.00 . A X . 20 LYS CD 1 1 4 1625 1 1 20 LYS CE C 18.616 4.810 -3.292 1.00 . A X . 20 LYS CE 1 1 4 1626 1 1 20 LYS CG C 16.851 3.387 -2.225 1.00 . A X . 20 LYS CG 1 1 4 1627 1 1 20 LYS H H 13.133 1.660 -2.080 1.00 . A X . 20 LYS H 1 1 4 1628 1 1 20 LYS HA H 15.890 1.097 -1.346 1.00 . A X . 20 LYS HA 1 1 4 1629 1 1 20 LYS HB2 H 15.110 2.697 -3.231 1.00 . A X . 20 LYS HB2 1 1 4 1630 1 1 20 LYS HB3 H 14.795 3.836 -1.927 1.00 . A X . 20 LYS HB3 1 1 4 1631 1 1 20 LYS HD2 H 16.730 4.304 -4.144 1.00 . A X . 20 LYS HD2 1 1 4 1632 1 1 20 LYS HD3 H 16.640 5.430 -2.788 1.00 . A X . 20 LYS HD3 1 1 4 1633 1 1 20 LYS HE2 H 18.763 5.693 -3.897 1.00 . A X . 20 LYS HE2 1 1 4 1634 1 1 20 LYS HE3 H 19.022 4.980 -2.306 1.00 . A X . 20 LYS HE3 1 1 4 1635 1 1 20 LYS HG2 H 17.130 3.681 -1.225 1.00 . A X . 20 LYS HG2 1 1 4 1636 1 1 20 LYS HG3 H 17.446 2.538 -2.528 1.00 . A X . 20 LYS HG3 1 1 4 1637 1 1 20 LYS HZ1 H 20.365 3.838 -3.902 1.00 . A X . 20 LYS HZ1 1 1 4 1638 1 1 20 LYS HZ2 H 19.033 3.558 -4.913 1.00 . A X . 20 LYS HZ2 1 1 4 1639 1 1 20 LYS HZ3 H 19.130 2.784 -3.413 1.00 . A X . 20 LYS HZ3 1 1 4 1640 1 1 20 LYS N N 13.858 1.141 -1.661 1.00 . A X . 20 LYS N 1 1 4 1641 1 1 20 LYS NZ N 19.335 3.671 -3.923 1.00 . A X . 20 LYS NZ 1 1 4 1642 1 1 20 LYS O O 15.537 3.346 0.534 1.00 . A X . 20 LYS O 1 1 4 1643 1 1 21 LEU C C 14.898 0.648 3.122 1.00 . A X . 21 LEU C 1 1 4 1644 1 1 21 LEU CA C 14.208 1.793 2.402 1.00 . A X . 21 LEU CA 1 1 4 1645 1 1 21 LEU CB C 12.755 1.929 2.871 1.00 . A X . 21 LEU CB 1 1 4 1646 1 1 21 LEU CD1 C 13.286 3.514 4.743 1.00 . A X . 21 LEU CD1 1 1 4 1647 1 1 21 LEU CD2 C 11.094 2.318 4.706 1.00 . A X . 21 LEU CD2 1 1 4 1648 1 1 21 LEU CG C 12.573 2.226 4.360 1.00 . A X . 21 LEU CG 1 1 4 1649 1 1 21 LEU H H 13.748 0.810 0.591 1.00 . A X . 21 LEU H 1 1 4 1650 1 1 21 LEU HA H 14.739 2.711 2.607 1.00 . A X . 21 LEU HA 1 1 4 1651 1 1 21 LEU HB2 H 12.293 2.727 2.308 1.00 . A X . 21 LEU HB2 1 1 4 1652 1 1 21 LEU HB3 H 12.239 1.008 2.646 1.00 . A X . 21 LEU HB3 1 1 4 1653 1 1 21 LEU HD11 H 14.338 3.424 4.518 1.00 . A X . 21 LEU HD11 1 1 4 1654 1 1 21 LEU HD12 H 13.158 3.694 5.801 1.00 . A X . 21 LEU HD12 1 1 4 1655 1 1 21 LEU HD13 H 12.868 4.338 4.184 1.00 . A X . 21 LEU HD13 1 1 4 1656 1 1 21 LEU HD21 H 10.609 1.381 4.468 1.00 . A X . 21 LEU HD21 1 1 4 1657 1 1 21 LEU HD22 H 10.639 3.113 4.136 1.00 . A X . 21 LEU HD22 1 1 4 1658 1 1 21 LEU HD23 H 10.983 2.522 5.761 1.00 . A X . 21 LEU HD23 1 1 4 1659 1 1 21 LEU HG H 13.003 1.420 4.937 1.00 . A X . 21 LEU HG 1 1 4 1660 1 1 21 LEU N N 14.265 1.553 0.972 1.00 . A X . 21 LEU N 1 1 4 1661 1 1 21 LEU O O 15.770 0.858 3.966 1.00 . A X . 21 LEU O 1 1 4 1662 1 1 22 LYS C C 16.423 -2.066 2.514 1.00 . A X . 22 LYS C 1 1 4 1663 1 1 22 LYS CA C 15.154 -1.762 3.304 1.00 . A X . 22 LYS CA 1 1 4 1664 1 1 22 LYS CB C 14.195 -2.957 3.257 1.00 . A X . 22 LYS CB 1 1 4 1665 1 1 22 LYS CD C 12.658 -4.402 1.883 1.00 . A X . 22 LYS CD 1 1 4 1666 1 1 22 LYS CE C 11.447 -4.004 2.712 1.00 . A X . 22 LYS CE 1 1 4 1667 1 1 22 LYS CG C 13.702 -3.299 1.858 1.00 . A X . 22 LYS CG 1 1 4 1668 1 1 22 LYS H H 13.776 -0.672 2.121 1.00 . A X . 22 LYS H 1 1 4 1669 1 1 22 LYS HA H 15.422 -1.561 4.331 1.00 . A X . 22 LYS HA 1 1 4 1670 1 1 22 LYS HB2 H 14.700 -3.823 3.656 1.00 . A X . 22 LYS HB2 1 1 4 1671 1 1 22 LYS HB3 H 13.335 -2.736 3.873 1.00 . A X . 22 LYS HB3 1 1 4 1672 1 1 22 LYS HD2 H 12.339 -4.607 0.872 1.00 . A X . 22 LYS HD2 1 1 4 1673 1 1 22 LYS HD3 H 13.098 -5.291 2.311 1.00 . A X . 22 LYS HD3 1 1 4 1674 1 1 22 LYS HE2 H 11.762 -3.849 3.734 1.00 . A X . 22 LYS HE2 1 1 4 1675 1 1 22 LYS HE3 H 11.044 -3.083 2.317 1.00 . A X . 22 LYS HE3 1 1 4 1676 1 1 22 LYS HG2 H 13.266 -2.416 1.414 1.00 . A X . 22 LYS HG2 1 1 4 1677 1 1 22 LYS HG3 H 14.542 -3.625 1.261 1.00 . A X . 22 LYS HG3 1 1 4 1678 1 1 22 LYS HZ1 H 10.802 -5.988 2.848 1.00 . A X . 22 LYS HZ1 1 1 4 1679 1 1 22 LYS HZ2 H 9.894 -5.042 1.770 1.00 . A X . 22 LYS HZ2 1 1 4 1680 1 1 22 LYS HZ3 H 9.689 -4.856 3.442 1.00 . A X . 22 LYS HZ3 1 1 4 1681 1 1 22 LYS N N 14.512 -0.571 2.766 1.00 . A X . 22 LYS N 1 1 4 1682 1 1 22 LYS NZ N 10.387 -5.044 2.690 1.00 . A X . 22 LYS NZ 1 1 4 1683 1 1 22 LYS O O 17.407 -2.560 3.062 1.00 . A X . 22 LYS O 1 1 4 1684 1 1 23 LYS C C 18.195 -0.636 0.036 1.00 . A X . 23 LYS C 1 1 4 1685 1 1 23 LYS CA C 17.531 -1.974 0.358 1.00 . A X . 23 LYS CA 1 1 4 1686 1 1 23 LYS CB C 17.081 -2.686 -0.922 1.00 . A X . 23 LYS CB 1 1 4 1687 1 1 23 LYS CD C 17.696 -3.721 -3.118 1.00 . A X . 23 LYS CD 1 1 4 1688 1 1 23 LYS CE C 18.822 -4.042 -4.086 1.00 . A X . 23 LYS CE 1 1 4 1689 1 1 23 LYS CG C 18.219 -3.073 -1.851 1.00 . A X . 23 LYS CG 1 1 4 1690 1 1 23 LYS H H 15.576 -1.367 0.846 1.00 . A X . 23 LYS H 1 1 4 1691 1 1 23 LYS HA H 18.237 -2.598 0.882 1.00 . A X . 23 LYS HA 1 1 4 1692 1 1 23 LYS HB2 H 16.544 -3.586 -0.651 1.00 . A X . 23 LYS HB2 1 1 4 1693 1 1 23 LYS HB3 H 16.412 -2.034 -1.463 1.00 . A X . 23 LYS HB3 1 1 4 1694 1 1 23 LYS HD2 H 17.183 -4.635 -2.860 1.00 . A X . 23 LYS HD2 1 1 4 1695 1 1 23 LYS HD3 H 17.006 -3.042 -3.596 1.00 . A X . 23 LYS HD3 1 1 4 1696 1 1 23 LYS HE2 H 19.334 -3.125 -4.339 1.00 . A X . 23 LYS HE2 1 1 4 1697 1 1 23 LYS HE3 H 19.513 -4.719 -3.608 1.00 . A X . 23 LYS HE3 1 1 4 1698 1 1 23 LYS HG2 H 18.772 -2.184 -2.114 1.00 . A X . 23 LYS HG2 1 1 4 1699 1 1 23 LYS HG3 H 18.870 -3.769 -1.340 1.00 . A X . 23 LYS HG3 1 1 4 1700 1 1 23 LYS HZ1 H 17.829 -5.564 -5.119 1.00 . A X . 23 LYS HZ1 1 1 4 1701 1 1 23 LYS HZ2 H 19.113 -4.868 -5.979 1.00 . A X . 23 LYS HZ2 1 1 4 1702 1 1 23 LYS HZ3 H 17.651 -4.027 -5.818 1.00 . A X . 23 LYS HZ3 1 1 4 1703 1 1 23 LYS N N 16.392 -1.755 1.227 1.00 . A X . 23 LYS N 1 1 4 1704 1 1 23 LYS NZ N 18.319 -4.668 -5.335 1.00 . A X . 23 LYS NZ 1 1 4 1705 1 1 23 LYS O O 18.134 -0.143 -1.093 1.00 . A X . 23 LYS O 1 1 4 1706 1 1 24 ALA C C 20.693 1.276 1.824 1.00 . A X . 24 ALA C 1 1 4 1707 1 1 24 ALA CA C 19.485 1.229 0.906 1.00 . A X . 24 ALA CA 1 1 4 1708 1 1 24 ALA CB C 18.542 2.380 1.216 1.00 . A X . 24 ALA CB 1 1 4 1709 1 1 24 ALA H H 18.796 -0.479 1.929 1.00 . A X . 24 ALA H 1 1 4 1710 1 1 24 ALA HA H 19.813 1.321 -0.119 1.00 . A X . 24 ALA HA 1 1 4 1711 1 1 24 ALA HB1 H 17.694 2.341 0.548 1.00 . A X . 24 ALA HB1 1 1 4 1712 1 1 24 ALA HB2 H 19.063 3.314 1.081 1.00 . A X . 24 ALA HB2 1 1 4 1713 1 1 24 ALA HB3 H 18.202 2.302 2.239 1.00 . A X . 24 ALA HB3 1 1 4 1714 1 1 24 ALA N N 18.803 -0.044 1.050 1.00 . A X . 24 ALA N 1 1 4 1715 1 1 24 ALA O O 20.497 1.365 3.054 1.00 . A X . 24 ALA O 1 1 4 1716 1 1 24 ALA OXT O 21.831 1.204 1.321 1.00 . A X . 24 ALA OXT 1 1 5 1717 1 1 1 LYS C C -5.174 15.579 12.294 1.00 . A X . 1 LYS C 1 1 5 1718 1 1 1 LYS CA C -4.358 15.289 13.547 1.00 . A X . 1 LYS CA 1 1 5 1719 1 1 1 LYS CB C -2.896 15.713 13.373 1.00 . A X . 1 LYS CB 1 1 5 1720 1 1 1 LYS CD C -0.670 16.121 14.499 1.00 . A X . 1 LYS CD 1 1 5 1721 1 1 1 LYS CE C 0.139 15.176 13.629 1.00 . A X . 1 LYS CE 1 1 5 1722 1 1 1 LYS CG C -2.106 15.650 14.671 1.00 . A X . 1 LYS CG 1 1 5 1723 1 1 1 LYS H1 H -4.201 13.285 13.016 1.00 . A X . 1 LYS H1 1 1 5 1724 1 1 1 LYS H2 H -5.409 13.607 14.166 1.00 . A X . 1 LYS H2 1 1 5 1725 1 1 1 LYS H3 H -3.774 13.606 14.625 1.00 . A X . 1 LYS H3 1 1 5 1726 1 1 1 LYS HA H -4.790 15.838 14.371 1.00 . A X . 1 LYS HA 1 1 5 1727 1 1 1 LYS HB2 H -2.422 15.060 12.654 1.00 . A X . 1 LYS HB2 1 1 5 1728 1 1 1 LYS HB3 H -2.864 16.727 13.006 1.00 . A X . 1 LYS HB3 1 1 5 1729 1 1 1 LYS HD2 H -0.676 17.096 14.038 1.00 . A X . 1 LYS HD2 1 1 5 1730 1 1 1 LYS HD3 H -0.205 16.185 15.472 1.00 . A X . 1 LYS HD3 1 1 5 1731 1 1 1 LYS HE2 H 0.057 14.176 14.030 1.00 . A X . 1 LYS HE2 1 1 5 1732 1 1 1 LYS HE3 H -0.263 15.196 12.629 1.00 . A X . 1 LYS HE3 1 1 5 1733 1 1 1 LYS HG2 H -2.591 16.278 15.403 1.00 . A X . 1 LYS HG2 1 1 5 1734 1 1 1 LYS HG3 H -2.100 14.629 15.024 1.00 . A X . 1 LYS HG3 1 1 5 1735 1 1 1 LYS HZ1 H 1.992 15.506 14.537 1.00 . A X . 1 LYS HZ1 1 1 5 1736 1 1 1 LYS HZ2 H 1.671 16.540 13.232 1.00 . A X . 1 LYS HZ2 1 1 5 1737 1 1 1 LYS HZ3 H 2.100 14.922 12.945 1.00 . A X . 1 LYS HZ3 1 1 5 1738 1 1 1 LYS N N -4.441 13.848 13.863 1.00 . A X . 1 LYS N 1 1 5 1739 1 1 1 LYS NZ N 1.574 15.562 13.582 1.00 . A X . 1 LYS NZ 1 1 5 1740 1 1 1 LYS O O -6.086 14.817 11.964 1.00 . A X . 1 LYS O 1 1 5 1741 1 1 2 LYS C C -5.326 16.054 9.272 1.00 . A X . 2 LYS C 1 1 5 1742 1 1 2 LYS CA C -5.599 17.027 10.411 1.00 . A X . 2 LYS CA 1 1 5 1743 1 1 2 LYS CB C -5.269 18.458 9.982 1.00 . A X . 2 LYS CB 1 1 5 1744 1 1 2 LYS CD C -3.579 20.133 9.191 1.00 . A X . 2 LYS CD 1 1 5 1745 1 1 2 LYS CE C -4.280 21.203 10.019 1.00 . A X . 2 LYS CE 1 1 5 1746 1 1 2 LYS CG C -3.789 18.742 9.774 1.00 . A X . 2 LYS CG 1 1 5 1747 1 1 2 LYS H H -4.136 17.243 11.893 1.00 . A X . 2 LYS H 1 1 5 1748 1 1 2 LYS HA H -6.649 16.978 10.655 1.00 . A X . 2 LYS HA 1 1 5 1749 1 1 2 LYS HB2 H -5.781 18.664 9.054 1.00 . A X . 2 LYS HB2 1 1 5 1750 1 1 2 LYS HB3 H -5.638 19.137 10.735 1.00 . A X . 2 LYS HB3 1 1 5 1751 1 1 2 LYS HD2 H -2.521 20.346 9.169 1.00 . A X . 2 LYS HD2 1 1 5 1752 1 1 2 LYS HD3 H -3.974 20.152 8.185 1.00 . A X . 2 LYS HD3 1 1 5 1753 1 1 2 LYS HE2 H -5.311 20.915 10.159 1.00 . A X . 2 LYS HE2 1 1 5 1754 1 1 2 LYS HE3 H -3.793 21.271 10.981 1.00 . A X . 2 LYS HE3 1 1 5 1755 1 1 2 LYS HG2 H -3.280 18.676 10.725 1.00 . A X . 2 LYS HG2 1 1 5 1756 1 1 2 LYS HG3 H -3.383 18.010 9.093 1.00 . A X . 2 LYS HG3 1 1 5 1757 1 1 2 LYS HZ1 H -3.265 22.903 9.347 1.00 . A X . 2 LYS HZ1 1 1 5 1758 1 1 2 LYS HZ2 H -4.843 23.212 9.876 1.00 . A X . 2 LYS HZ2 1 1 5 1759 1 1 2 LYS HZ3 H -4.584 22.462 8.377 1.00 . A X . 2 LYS HZ3 1 1 5 1760 1 1 2 LYS N N -4.865 16.666 11.600 1.00 . A X . 2 LYS N 1 1 5 1761 1 1 2 LYS NZ N -4.238 22.535 9.360 1.00 . A X . 2 LYS NZ 1 1 5 1762 1 1 2 LYS O O -4.565 15.089 9.405 1.00 . A X . 2 LYS O 1 1 5 1763 1 1 3 LEU C C -4.824 15.704 6.058 1.00 . A X . 3 LEU C 1 1 5 1764 1 1 3 LEU CA C -5.975 15.434 7.018 1.00 . A X . 3 LEU CA 1 1 5 1765 1 1 3 LEU CB C -7.309 15.568 6.282 1.00 . A X . 3 LEU CB 1 1 5 1766 1 1 3 LEU CD1 C -9.812 15.558 6.343 1.00 . A X . 3 LEU CD1 1 1 5 1767 1 1 3 LEU CD2 C -8.531 13.836 7.622 1.00 . A X . 3 LEU CD2 1 1 5 1768 1 1 3 LEU CG C -8.545 15.276 7.132 1.00 . A X . 3 LEU CG 1 1 5 1769 1 1 3 LEU H H -6.408 17.204 8.093 1.00 . A X . 3 LEU H 1 1 5 1770 1 1 3 LEU HA H -5.885 14.428 7.395 1.00 . A X . 3 LEU HA 1 1 5 1771 1 1 3 LEU HB2 H -7.386 16.577 5.905 1.00 . A X . 3 LEU HB2 1 1 5 1772 1 1 3 LEU HB3 H -7.305 14.887 5.444 1.00 . A X . 3 LEU HB3 1 1 5 1773 1 1 3 LEU HD11 H -9.824 14.951 5.450 1.00 . A X . 3 LEU HD11 1 1 5 1774 1 1 3 LEU HD12 H -9.840 16.602 6.071 1.00 . A X . 3 LEU HD12 1 1 5 1775 1 1 3 LEU HD13 H -10.673 15.321 6.951 1.00 . A X . 3 LEU HD13 1 1 5 1776 1 1 3 LEU HD21 H -9.429 13.641 8.189 1.00 . A X . 3 LEU HD21 1 1 5 1777 1 1 3 LEU HD22 H -7.668 13.680 8.252 1.00 . A X . 3 LEU HD22 1 1 5 1778 1 1 3 LEU HD23 H -8.484 13.166 6.776 1.00 . A X . 3 LEU HD23 1 1 5 1779 1 1 3 LEU HG H -8.539 15.924 7.996 1.00 . A X . 3 LEU HG 1 1 5 1780 1 1 3 LEU N N -5.951 16.340 8.155 1.00 . A X . 3 LEU N 1 1 5 1781 1 1 3 LEU O O -4.884 16.626 5.242 1.00 . A X . 3 LEU O 1 1 5 1782 1 1 4 LYS C C -1.925 13.645 5.156 1.00 . A X . 4 LYS C 1 1 5 1783 1 1 4 LYS CA C -2.642 14.993 5.250 1.00 . A X . 4 LYS CA 1 1 5 1784 1 1 4 LYS CB C -1.674 16.088 5.728 1.00 . A X . 4 LYS CB 1 1 5 1785 1 1 4 LYS CD C 0.354 17.507 5.224 1.00 . A X . 4 LYS CD 1 1 5 1786 1 1 4 LYS CE C 1.430 17.823 4.195 1.00 . A X . 4 LYS CE 1 1 5 1787 1 1 4 LYS CG C -0.617 16.465 4.698 1.00 . A X . 4 LYS CG 1 1 5 1788 1 1 4 LYS H H -3.774 14.206 6.857 1.00 . A X . 4 LYS H 1 1 5 1789 1 1 4 LYS HA H -3.018 15.256 4.272 1.00 . A X . 4 LYS HA 1 1 5 1790 1 1 4 LYS HB2 H -2.242 16.974 5.969 1.00 . A X . 4 LYS HB2 1 1 5 1791 1 1 4 LYS HB3 H -1.169 15.742 6.618 1.00 . A X . 4 LYS HB3 1 1 5 1792 1 1 4 LYS HD2 H -0.190 18.411 5.453 1.00 . A X . 4 LYS HD2 1 1 5 1793 1 1 4 LYS HD3 H 0.824 17.130 6.121 1.00 . A X . 4 LYS HD3 1 1 5 1794 1 1 4 LYS HE2 H 2.142 18.505 4.636 1.00 . A X . 4 LYS HE2 1 1 5 1795 1 1 4 LYS HE3 H 1.934 16.905 3.929 1.00 . A X . 4 LYS HE3 1 1 5 1796 1 1 4 LYS HG2 H -0.061 15.579 4.431 1.00 . A X . 4 LYS HG2 1 1 5 1797 1 1 4 LYS HG3 H -1.111 16.856 3.821 1.00 . A X . 4 LYS HG3 1 1 5 1798 1 1 4 LYS HZ1 H 0.583 19.426 3.151 1.00 . A X . 4 LYS HZ1 1 1 5 1799 1 1 4 LYS HZ2 H 0.032 17.908 2.639 1.00 . A X . 4 LYS HZ2 1 1 5 1800 1 1 4 LYS HZ3 H 1.583 18.438 2.200 1.00 . A X . 4 LYS HZ3 1 1 5 1801 1 1 4 LYS N N -3.781 14.892 6.154 1.00 . A X . 4 LYS N 1 1 5 1802 1 1 4 LYS NZ N 0.868 18.441 2.963 1.00 . A X . 4 LYS NZ 1 1 5 1803 1 1 4 LYS O O -0.743 13.569 4.820 1.00 . A X . 4 LYS O 1 1 5 1804 1 1 5 LEU C C -3.121 10.187 5.128 1.00 . A X . 5 LEU C 1 1 5 1805 1 1 5 LEU CA C -2.064 11.243 5.425 1.00 . A X . 5 LEU CA 1 1 5 1806 1 1 5 LEU CB C -1.370 10.930 6.756 1.00 . A X . 5 LEU CB 1 1 5 1807 1 1 5 LEU CD1 C 0.434 9.493 5.773 1.00 . A X . 5 LEU CD1 1 1 5 1808 1 1 5 LEU CD2 C -0.092 9.346 8.205 1.00 . A X . 5 LEU CD2 1 1 5 1809 1 1 5 LEU CG C -0.667 9.575 6.820 1.00 . A X . 5 LEU CG 1 1 5 1810 1 1 5 LEU H H -3.598 12.680 5.683 1.00 . A X . 5 LEU H 1 1 5 1811 1 1 5 LEU HA H -1.327 11.225 4.636 1.00 . A X . 5 LEU HA 1 1 5 1812 1 1 5 LEU HB2 H -0.635 11.699 6.944 1.00 . A X . 5 LEU HB2 1 1 5 1813 1 1 5 LEU HB3 H -2.109 10.963 7.541 1.00 . A X . 5 LEU HB3 1 1 5 1814 1 1 5 LEU HD11 H 0.004 9.605 4.788 1.00 . A X . 5 LEU HD11 1 1 5 1815 1 1 5 LEU HD12 H 0.927 8.536 5.846 1.00 . A X . 5 LEU HD12 1 1 5 1816 1 1 5 LEU HD13 H 1.151 10.282 5.944 1.00 . A X . 5 LEU HD13 1 1 5 1817 1 1 5 LEU HD21 H 0.611 10.133 8.435 1.00 . A X . 5 LEU HD21 1 1 5 1818 1 1 5 LEU HD22 H 0.415 8.393 8.233 1.00 . A X . 5 LEU HD22 1 1 5 1819 1 1 5 LEU HD23 H -0.890 9.352 8.933 1.00 . A X . 5 LEU HD23 1 1 5 1820 1 1 5 LEU HG H -1.382 8.792 6.617 1.00 . A X . 5 LEU HG 1 1 5 1821 1 1 5 LEU N N -2.649 12.575 5.453 1.00 . A X . 5 LEU N 1 1 5 1822 1 1 5 LEU O O -4.001 9.921 5.953 1.00 . A X . 5 LEU O 1 1 5 1823 1 1 6 ALA C C -3.079 7.347 2.988 1.00 . A X . 6 ALA C 1 1 5 1824 1 1 6 ALA CA C -3.904 8.497 3.556 1.00 . A X . 6 ALA CA 1 1 5 1825 1 1 6 ALA CB C -4.934 8.968 2.539 1.00 . A X . 6 ALA CB 1 1 5 1826 1 1 6 ALA H H -2.352 9.907 3.310 1.00 . A X . 6 ALA H 1 1 5 1827 1 1 6 ALA HA H -4.425 8.156 4.438 1.00 . A X . 6 ALA HA 1 1 5 1828 1 1 6 ALA HB1 H -5.476 9.812 2.939 1.00 . A X . 6 ALA HB1 1 1 5 1829 1 1 6 ALA HB2 H -5.625 8.165 2.330 1.00 . A X . 6 ALA HB2 1 1 5 1830 1 1 6 ALA HB3 H -4.433 9.259 1.628 1.00 . A X . 6 ALA HB3 1 1 5 1831 1 1 6 ALA N N -3.028 9.595 3.945 1.00 . A X . 6 ALA N 1 1 5 1832 1 1 6 ALA O O -2.857 7.269 1.776 1.00 . A X . 6 ALA O 1 1 5 1833 1 1 7 PRO C C -2.344 4.396 2.461 1.00 . A X . 7 PRO C 1 1 5 1834 1 1 7 PRO CA C -1.709 5.346 3.469 1.00 . A X . 7 PRO CA 1 1 5 1835 1 1 7 PRO CB C -1.419 4.618 4.788 1.00 . A X . 7 PRO CB 1 1 5 1836 1 1 7 PRO CD C -2.910 6.412 5.303 1.00 . A X . 7 PRO CD 1 1 5 1837 1 1 7 PRO CG C -2.524 5.019 5.703 1.00 . A X . 7 PRO CG 1 1 5 1838 1 1 7 PRO HA H -0.783 5.728 3.060 1.00 . A X . 7 PRO HA 1 1 5 1839 1 1 7 PRO HB2 H -1.415 3.551 4.618 1.00 . A X . 7 PRO HB2 1 1 5 1840 1 1 7 PRO HB3 H -0.456 4.930 5.171 1.00 . A X . 7 PRO HB3 1 1 5 1841 1 1 7 PRO HD2 H -3.961 6.578 5.480 1.00 . A X . 7 PRO HD2 1 1 5 1842 1 1 7 PRO HD3 H -2.316 7.137 5.838 1.00 . A X . 7 PRO HD3 1 1 5 1843 1 1 7 PRO HG2 H -3.362 4.350 5.580 1.00 . A X . 7 PRO HG2 1 1 5 1844 1 1 7 PRO HG3 H -2.179 5.005 6.727 1.00 . A X . 7 PRO HG3 1 1 5 1845 1 1 7 PRO N N -2.607 6.442 3.861 1.00 . A X . 7 PRO N 1 1 5 1846 1 1 7 PRO O O -1.668 3.886 1.569 1.00 . A X . 7 PRO O 1 1 5 1847 1 1 8 ALA C C -4.684 3.854 0.348 1.00 . A X . 8 ALA C 1 1 5 1848 1 1 8 ALA CA C -4.363 3.255 1.719 1.00 . A X . 8 ALA CA 1 1 5 1849 1 1 8 ALA CB C -5.636 2.791 2.408 1.00 . A X . 8 ALA CB 1 1 5 1850 1 1 8 ALA H H -4.152 4.702 3.247 1.00 . A X . 8 ALA H 1 1 5 1851 1 1 8 ALA HA H -3.725 2.392 1.580 1.00 . A X . 8 ALA HA 1 1 5 1852 1 1 8 ALA HB1 H -5.388 2.364 3.368 1.00 . A X . 8 ALA HB1 1 1 5 1853 1 1 8 ALA HB2 H -6.127 2.047 1.798 1.00 . A X . 8 ALA HB2 1 1 5 1854 1 1 8 ALA HB3 H -6.296 3.634 2.549 1.00 . A X . 8 ALA HB3 1 1 5 1855 1 1 8 ALA N N -3.651 4.199 2.571 1.00 . A X . 8 ALA N 1 1 5 1856 1 1 8 ALA O O -5.609 3.406 -0.335 1.00 . A X . 8 ALA O 1 1 5 1857 1 1 9 LYS C C -2.797 6.092 -1.841 1.00 . A X . 9 LYS C 1 1 5 1858 1 1 9 LYS CA C -4.105 5.480 -1.356 1.00 . A X . 9 LYS CA 1 1 5 1859 1 1 9 LYS CB C -5.206 6.545 -1.322 1.00 . A X . 9 LYS CB 1 1 5 1860 1 1 9 LYS CD C -6.646 8.141 -2.627 1.00 . A X . 9 LYS CD 1 1 5 1861 1 1 9 LYS CE C -6.974 8.696 -4.006 1.00 . A X . 9 LYS CE 1 1 5 1862 1 1 9 LYS CG C -5.525 7.121 -2.693 1.00 . A X . 9 LYS CG 1 1 5 1863 1 1 9 LYS H H -3.225 5.199 0.548 1.00 . A X . 9 LYS H 1 1 5 1864 1 1 9 LYS HA H -4.395 4.699 -2.044 1.00 . A X . 9 LYS HA 1 1 5 1865 1 1 9 LYS HB2 H -6.106 6.107 -0.920 1.00 . A X . 9 LYS HB2 1 1 5 1866 1 1 9 LYS HB3 H -4.889 7.354 -0.681 1.00 . A X . 9 LYS HB3 1 1 5 1867 1 1 9 LYS HD2 H -7.527 7.669 -2.221 1.00 . A X . 9 LYS HD2 1 1 5 1868 1 1 9 LYS HD3 H -6.341 8.955 -1.985 1.00 . A X . 9 LYS HD3 1 1 5 1869 1 1 9 LYS HE2 H -6.094 9.175 -4.404 1.00 . A X . 9 LYS HE2 1 1 5 1870 1 1 9 LYS HE3 H -7.263 7.878 -4.650 1.00 . A X . 9 LYS HE3 1 1 5 1871 1 1 9 LYS HG2 H -4.642 7.601 -3.083 1.00 . A X . 9 LYS HG2 1 1 5 1872 1 1 9 LYS HG3 H -5.820 6.316 -3.351 1.00 . A X . 9 LYS HG3 1 1 5 1873 1 1 9 LYS HZ1 H -7.833 10.463 -3.307 1.00 . A X . 9 LYS HZ1 1 1 5 1874 1 1 9 LYS HZ2 H -8.956 9.231 -3.620 1.00 . A X . 9 LYS HZ2 1 1 5 1875 1 1 9 LYS HZ3 H -8.250 10.085 -4.907 1.00 . A X . 9 LYS HZ3 1 1 5 1876 1 1 9 LYS N N -3.928 4.867 -0.049 1.00 . A X . 9 LYS N 1 1 5 1877 1 1 9 LYS NZ N -8.081 9.686 -3.956 1.00 . A X . 9 LYS NZ 1 1 5 1878 1 1 9 LYS O O -2.412 5.918 -2.998 1.00 . A X . 9 LYS O 1 1 5 1879 1 1 10 LEU C C 0.232 6.378 -1.525 1.00 . A X . 10 LEU C 1 1 5 1880 1 1 10 LEU CA C -0.843 7.432 -1.292 1.00 . A X . 10 LEU CA 1 1 5 1881 1 1 10 LEU CB C -0.406 8.396 -0.183 1.00 . A X . 10 LEU CB 1 1 5 1882 1 1 10 LEU CD1 C -0.857 10.420 1.227 1.00 . A X . 10 LEU CD1 1 1 5 1883 1 1 10 LEU CD2 C -1.452 10.441 -1.202 1.00 . A X . 10 LEU CD2 1 1 5 1884 1 1 10 LEU CG C -1.343 9.584 0.052 1.00 . A X . 10 LEU CG 1 1 5 1885 1 1 10 LEU H H -2.480 6.924 -0.046 1.00 . A X . 10 LEU H 1 1 5 1886 1 1 10 LEU HA H -0.983 7.992 -2.206 1.00 . A X . 10 LEU HA 1 1 5 1887 1 1 10 LEU HB2 H -0.330 7.836 0.739 1.00 . A X . 10 LEU HB2 1 1 5 1888 1 1 10 LEU HB3 H 0.572 8.779 -0.433 1.00 . A X . 10 LEU HB3 1 1 5 1889 1 1 10 LEU HD11 H -0.830 9.808 2.116 1.00 . A X . 10 LEU HD11 1 1 5 1890 1 1 10 LEU HD12 H -1.531 11.249 1.382 1.00 . A X . 10 LEU HD12 1 1 5 1891 1 1 10 LEU HD13 H 0.134 10.796 1.018 1.00 . A X . 10 LEU HD13 1 1 5 1892 1 1 10 LEU HD21 H -2.114 11.273 -1.014 1.00 . A X . 10 LEU HD21 1 1 5 1893 1 1 10 LEU HD22 H -1.844 9.845 -2.013 1.00 . A X . 10 LEU HD22 1 1 5 1894 1 1 10 LEU HD23 H -0.473 10.813 -1.470 1.00 . A X . 10 LEU HD23 1 1 5 1895 1 1 10 LEU HG H -2.330 9.214 0.293 1.00 . A X . 10 LEU HG 1 1 5 1896 1 1 10 LEU N N -2.115 6.807 -0.952 1.00 . A X . 10 LEU N 1 1 5 1897 1 1 10 LEU O O 0.889 6.363 -2.570 1.00 . A X . 10 LEU O 1 1 5 1898 1 1 11 ALA C C 0.796 3.071 -0.415 1.00 . A X . 11 ALA C 1 1 5 1899 1 1 11 ALA CA C 1.404 4.445 -0.663 1.00 . A X . 11 ALA CA 1 1 5 1900 1 1 11 ALA CB C 2.536 4.718 0.315 1.00 . A X . 11 ALA CB 1 1 5 1901 1 1 11 ALA H H -0.191 5.506 0.221 1.00 . A X . 11 ALA H 1 1 5 1902 1 1 11 ALA HA H 1.814 4.472 -1.665 1.00 . A X . 11 ALA HA 1 1 5 1903 1 1 11 ALA HB1 H 2.966 5.686 0.108 1.00 . A X . 11 ALA HB1 1 1 5 1904 1 1 11 ALA HB2 H 3.294 3.955 0.210 1.00 . A X . 11 ALA HB2 1 1 5 1905 1 1 11 ALA HB3 H 2.149 4.705 1.323 1.00 . A X . 11 ALA HB3 1 1 5 1906 1 1 11 ALA N N 0.393 5.480 -0.567 1.00 . A X . 11 ALA N 1 1 5 1907 1 1 11 ALA O O 1.006 2.469 0.633 1.00 . A X . 11 ALA O 1 1 5 1908 1 1 12 LEU C C -0.152 0.261 -0.574 1.00 . A X . 12 LEU C 1 1 5 1909 1 1 12 LEU CA C -0.815 1.416 -1.316 1.00 . A X . 12 LEU CA 1 1 5 1910 1 1 12 LEU CB C -1.225 0.955 -2.720 1.00 . A X . 12 LEU CB 1 1 5 1911 1 1 12 LEU CD1 C -2.183 1.502 -4.971 1.00 . A X . 12 LEU CD1 1 1 5 1912 1 1 12 LEU CD2 C -3.355 2.267 -2.902 1.00 . A X . 12 LEU CD2 1 1 5 1913 1 1 12 LEU CG C -2.003 1.987 -3.541 1.00 . A X . 12 LEU CG 1 1 5 1914 1 1 12 LEU H H 0.087 3.070 -2.281 1.00 . A X . 12 LEU H 1 1 5 1915 1 1 12 LEU HA H -1.703 1.705 -0.778 1.00 . A X . 12 LEU HA 1 1 5 1916 1 1 12 LEU HB2 H -0.330 0.692 -3.265 1.00 . A X . 12 LEU HB2 1 1 5 1917 1 1 12 LEU HB3 H -1.837 0.072 -2.621 1.00 . A X . 12 LEU HB3 1 1 5 1918 1 1 12 LEU HD11 H -1.216 1.344 -5.422 1.00 . A X . 12 LEU HD11 1 1 5 1919 1 1 12 LEU HD12 H -2.728 2.244 -5.536 1.00 . A X . 12 LEU HD12 1 1 5 1920 1 1 12 LEU HD13 H -2.736 0.574 -4.970 1.00 . A X . 12 LEU HD13 1 1 5 1921 1 1 12 LEU HD21 H -3.940 1.359 -2.884 1.00 . A X . 12 LEU HD21 1 1 5 1922 1 1 12 LEU HD22 H -3.874 3.018 -3.476 1.00 . A X . 12 LEU HD22 1 1 5 1923 1 1 12 LEU HD23 H -3.209 2.622 -1.892 1.00 . A X . 12 LEU HD23 1 1 5 1924 1 1 12 LEU HG H -1.445 2.912 -3.568 1.00 . A X . 12 LEU HG 1 1 5 1925 1 1 12 LEU N N 0.048 2.602 -1.420 1.00 . A X . 12 LEU N 1 1 5 1926 1 1 12 LEU O O -0.709 -0.261 0.392 1.00 . A X . 12 LEU O 1 1 5 1927 1 1 13 LEU C C 3.190 -0.721 -0.100 1.00 . A X . 13 LEU C 1 1 5 1928 1 1 13 LEU CA C 1.780 -1.205 -0.397 1.00 . A X . 13 LEU CA 1 1 5 1929 1 1 13 LEU CB C 1.823 -2.450 -1.291 1.00 . A X . 13 LEU CB 1 1 5 1930 1 1 13 LEU CD1 C 0.634 -4.294 -2.498 1.00 . A X . 13 LEU CD1 1 1 5 1931 1 1 13 LEU CD2 C -0.166 -3.566 -0.241 1.00 . A X . 13 LEU CD2 1 1 5 1932 1 1 13 LEU CG C 0.470 -3.117 -1.550 1.00 . A X . 13 LEU CG 1 1 5 1933 1 1 13 LEU H H 1.403 0.303 -1.828 1.00 . A X . 13 LEU H 1 1 5 1934 1 1 13 LEU HA H 1.290 -1.452 0.534 1.00 . A X . 13 LEU HA 1 1 5 1935 1 1 13 LEU HB2 H 2.249 -2.169 -2.244 1.00 . A X . 13 LEU HB2 1 1 5 1936 1 1 13 LEU HB3 H 2.475 -3.177 -0.828 1.00 . A X . 13 LEU HB3 1 1 5 1937 1 1 13 LEU HD11 H 1.036 -3.943 -3.438 1.00 . A X . 13 LEU HD11 1 1 5 1938 1 1 13 LEU HD12 H -0.326 -4.757 -2.669 1.00 . A X . 13 LEU HD12 1 1 5 1939 1 1 13 LEU HD13 H 1.311 -5.015 -2.064 1.00 . A X . 13 LEU HD13 1 1 5 1940 1 1 13 LEU HD21 H -1.121 -4.024 -0.444 1.00 . A X . 13 LEU HD21 1 1 5 1941 1 1 13 LEU HD22 H -0.306 -2.709 0.402 1.00 . A X . 13 LEU HD22 1 1 5 1942 1 1 13 LEU HD23 H 0.480 -4.282 0.248 1.00 . A X . 13 LEU HD23 1 1 5 1943 1 1 13 LEU HG H -0.194 -2.404 -2.018 1.00 . A X . 13 LEU HG 1 1 5 1944 1 1 13 LEU N N 1.025 -0.138 -1.036 1.00 . A X . 13 LEU N 1 1 5 1945 1 1 13 LEU O O 4.100 -1.521 0.121 1.00 . A X . 13 LEU O 1 1 5 1946 1 1 14 TRP C C 5.723 0.688 -0.792 1.00 . A X . 14 TRP C 1 1 5 1947 1 1 14 TRP CA C 4.642 1.251 0.131 1.00 . A X . 14 TRP CA 1 1 5 1948 1 1 14 TRP CB C 5.078 1.083 1.593 1.00 . A X . 14 TRP CB 1 1 5 1949 1 1 14 TRP CD1 C 3.972 2.930 2.988 1.00 . A X . 14 TRP CD1 1 1 5 1950 1 1 14 TRP CD2 C 3.104 0.889 3.306 1.00 . A X . 14 TRP CD2 1 1 5 1951 1 1 14 TRP CE2 C 2.410 1.803 4.118 1.00 . A X . 14 TRP CE2 1 1 5 1952 1 1 14 TRP CE3 C 2.736 -0.457 3.338 1.00 . A X . 14 TRP CE3 1 1 5 1953 1 1 14 TRP CG C 4.097 1.632 2.586 1.00 . A X . 14 TRP CG 1 1 5 1954 1 1 14 TRP CH2 C 1.027 0.088 4.964 1.00 . A X . 14 TRP CH2 1 1 5 1955 1 1 14 TRP CZ2 C 1.366 1.412 4.952 1.00 . A X . 14 TRP CZ2 1 1 5 1956 1 1 14 TRP CZ3 C 1.702 -0.844 4.167 1.00 . A X . 14 TRP CZ3 1 1 5 1957 1 1 14 TRP H H 2.561 1.169 -0.250 1.00 . A X . 14 TRP H 1 1 5 1958 1 1 14 TRP HA H 4.528 2.305 -0.080 1.00 . A X . 14 TRP HA 1 1 5 1959 1 1 14 TRP HB2 H 5.204 0.032 1.801 1.00 . A X . 14 TRP HB2 1 1 5 1960 1 1 14 TRP HB3 H 6.022 1.588 1.739 1.00 . A X . 14 TRP HB3 1 1 5 1961 1 1 14 TRP HD1 H 4.587 3.745 2.622 1.00 . A X . 14 TRP HD1 1 1 5 1962 1 1 14 TRP HE1 H 2.666 3.881 4.341 1.00 . A X . 14 TRP HE1 1 1 5 1963 1 1 14 TRP HE3 H 3.245 -1.190 2.731 1.00 . A X . 14 TRP HE3 1 1 5 1964 1 1 14 TRP HH2 H 0.225 -0.259 5.599 1.00 . A X . 14 TRP HH2 1 1 5 1965 1 1 14 TRP HZ2 H 0.836 2.118 5.576 1.00 . A X . 14 TRP HZ2 1 1 5 1966 1 1 14 TRP HZ3 H 1.404 -1.881 4.206 1.00 . A X . 14 TRP HZ3 1 1 5 1967 1 1 14 TRP N N 3.350 0.605 -0.103 1.00 . A X . 14 TRP N 1 1 5 1968 1 1 14 TRP NE1 N 2.956 3.044 3.905 1.00 . A X . 14 TRP NE1 1 1 5 1969 1 1 14 TRP O O 6.887 0.624 -0.418 1.00 . A X . 14 TRP O 1 1 5 1970 1 1 15 LYS C C 7.404 0.579 -3.354 1.00 . A X . 15 LYS C 1 1 5 1971 1 1 15 LYS CA C 6.272 -0.351 -2.921 1.00 . A X . 15 LYS CA 1 1 5 1972 1 1 15 LYS CB C 5.527 -0.882 -4.144 1.00 . A X . 15 LYS CB 1 1 5 1973 1 1 15 LYS CD C 5.547 -3.286 -3.425 1.00 . A X . 15 LYS CD 1 1 5 1974 1 1 15 LYS CE C 4.717 -4.541 -3.219 1.00 . A X . 15 LYS CE 1 1 5 1975 1 1 15 LYS CG C 4.683 -2.112 -3.855 1.00 . A X . 15 LYS CG 1 1 5 1976 1 1 15 LYS H H 4.413 0.469 -2.290 1.00 . A X . 15 LYS H 1 1 5 1977 1 1 15 LYS HA H 6.705 -1.188 -2.392 1.00 . A X . 15 LYS HA 1 1 5 1978 1 1 15 LYS HB2 H 4.875 -0.106 -4.518 1.00 . A X . 15 LYS HB2 1 1 5 1979 1 1 15 LYS HB3 H 6.245 -1.136 -4.910 1.00 . A X . 15 LYS HB3 1 1 5 1980 1 1 15 LYS HD2 H 6.281 -3.477 -4.193 1.00 . A X . 15 LYS HD2 1 1 5 1981 1 1 15 LYS HD3 H 6.045 -3.038 -2.499 1.00 . A X . 15 LYS HD3 1 1 5 1982 1 1 15 LYS HE2 H 4.032 -4.377 -2.400 1.00 . A X . 15 LYS HE2 1 1 5 1983 1 1 15 LYS HE3 H 4.157 -4.737 -4.121 1.00 . A X . 15 LYS HE3 1 1 5 1984 1 1 15 LYS HG2 H 3.988 -1.880 -3.061 1.00 . A X . 15 LYS HG2 1 1 5 1985 1 1 15 LYS HG3 H 4.138 -2.381 -4.749 1.00 . A X . 15 LYS HG3 1 1 5 1986 1 1 15 LYS HZ1 H 4.993 -6.587 -2.916 1.00 . A X . 15 LYS HZ1 1 1 5 1987 1 1 15 LYS HZ2 H 6.012 -5.611 -1.976 1.00 . A X . 15 LYS HZ2 1 1 5 1988 1 1 15 LYS HZ3 H 6.317 -5.813 -3.635 1.00 . A X . 15 LYS HZ3 1 1 5 1989 1 1 15 LYS N N 5.343 0.308 -2.004 1.00 . A X . 15 LYS N 1 1 5 1990 1 1 15 LYS NZ N 5.568 -5.719 -2.915 1.00 . A X . 15 LYS NZ 1 1 5 1991 1 1 15 LYS O O 8.512 0.132 -3.638 1.00 . A X . 15 LYS O 1 1 5 1992 1 1 16 ALA C C 8.853 3.409 -2.555 1.00 . A X . 16 ALA C 1 1 5 1993 1 1 16 ALA CA C 8.144 2.843 -3.780 1.00 . A X . 16 ALA CA 1 1 5 1994 1 1 16 ALA CB C 7.521 3.965 -4.599 1.00 . A X . 16 ALA CB 1 1 5 1995 1 1 16 ALA H H 6.228 2.177 -3.167 1.00 . A X . 16 ALA H 1 1 5 1996 1 1 16 ALA HA H 8.867 2.335 -4.397 1.00 . A X . 16 ALA HA 1 1 5 1997 1 1 16 ALA HB1 H 6.802 4.497 -3.992 1.00 . A X . 16 ALA HB1 1 1 5 1998 1 1 16 ALA HB2 H 7.024 3.550 -5.463 1.00 . A X . 16 ALA HB2 1 1 5 1999 1 1 16 ALA HB3 H 8.293 4.648 -4.922 1.00 . A X . 16 ALA HB3 1 1 5 2000 1 1 16 ALA N N 7.129 1.872 -3.392 1.00 . A X . 16 ALA N 1 1 5 2001 1 1 16 ALA O O 9.805 4.175 -2.674 1.00 . A X . 16 ALA O 1 1 5 2002 1 1 17 LEU C C 9.683 2.442 0.619 1.00 . A X . 17 LEU C 1 1 5 2003 1 1 17 LEU CA C 8.935 3.533 -0.131 1.00 . A X . 17 LEU CA 1 1 5 2004 1 1 17 LEU CB C 7.821 4.108 0.764 1.00 . A X . 17 LEU CB 1 1 5 2005 1 1 17 LEU CD1 C 8.174 6.433 -0.131 1.00 . A X . 17 LEU CD1 1 1 5 2006 1 1 17 LEU CD2 C 6.189 5.104 -0.887 1.00 . A X . 17 LEU CD2 1 1 5 2007 1 1 17 LEU CG C 7.140 5.393 0.266 1.00 . A X . 17 LEU CG 1 1 5 2008 1 1 17 LEU H H 7.674 2.345 -1.347 1.00 . A X . 17 LEU H 1 1 5 2009 1 1 17 LEU HA H 9.630 4.323 -0.378 1.00 . A X . 17 LEU HA 1 1 5 2010 1 1 17 LEU HB2 H 7.060 3.351 0.879 1.00 . A X . 17 LEU HB2 1 1 5 2011 1 1 17 LEU HB3 H 8.247 4.312 1.735 1.00 . A X . 17 LEU HB3 1 1 5 2012 1 1 17 LEU HD11 H 7.671 7.317 -0.491 1.00 . A X . 17 LEU HD11 1 1 5 2013 1 1 17 LEU HD12 H 8.805 6.033 -0.911 1.00 . A X . 17 LEU HD12 1 1 5 2014 1 1 17 LEU HD13 H 8.778 6.685 0.728 1.00 . A X . 17 LEU HD13 1 1 5 2015 1 1 17 LEU HD21 H 5.430 4.407 -0.561 1.00 . A X . 17 LEU HD21 1 1 5 2016 1 1 17 LEU HD22 H 6.742 4.673 -1.710 1.00 . A X . 17 LEU HD22 1 1 5 2017 1 1 17 LEU HD23 H 5.722 6.022 -1.209 1.00 . A X . 17 LEU HD23 1 1 5 2018 1 1 17 LEU HG H 6.557 5.810 1.075 1.00 . A X . 17 LEU HG 1 1 5 2019 1 1 17 LEU N N 8.390 3.014 -1.377 1.00 . A X . 17 LEU N 1 1 5 2020 1 1 17 LEU O O 10.886 2.540 0.842 1.00 . A X . 17 LEU O 1 1 5 2021 1 1 18 ALA C C 10.368 -0.665 0.996 1.00 . A X . 18 ALA C 1 1 5 2022 1 1 18 ALA CA C 9.520 0.317 1.796 1.00 . A X . 18 ALA CA 1 1 5 2023 1 1 18 ALA CB C 8.392 -0.411 2.509 1.00 . A X . 18 ALA CB 1 1 5 2024 1 1 18 ALA H H 8.059 1.281 0.606 1.00 . A X . 18 ALA H 1 1 5 2025 1 1 18 ALA HA H 10.144 0.782 2.545 1.00 . A X . 18 ALA HA 1 1 5 2026 1 1 18 ALA HB1 H 8.805 -1.170 3.158 1.00 . A X . 18 ALA HB1 1 1 5 2027 1 1 18 ALA HB2 H 7.745 -0.874 1.779 1.00 . A X . 18 ALA HB2 1 1 5 2028 1 1 18 ALA HB3 H 7.826 0.296 3.096 1.00 . A X . 18 ALA HB3 1 1 5 2029 1 1 18 ALA N N 8.976 1.374 0.954 1.00 . A X . 18 ALA N 1 1 5 2030 1 1 18 ALA O O 10.687 -1.750 1.471 1.00 . A X . 18 ALA O 1 1 5 2031 1 1 19 LEU C C 12.960 -0.375 -1.155 1.00 . A X . 19 LEU C 1 1 5 2032 1 1 19 LEU CA C 11.623 -1.090 -1.021 1.00 . A X . 19 LEU CA 1 1 5 2033 1 1 19 LEU CB C 11.016 -1.360 -2.399 1.00 . A X . 19 LEU CB 1 1 5 2034 1 1 19 LEU CD1 C 11.988 -3.662 -2.636 1.00 . A X . 19 LEU CD1 1 1 5 2035 1 1 19 LEU CD2 C 11.173 -2.434 -4.654 1.00 . A X . 19 LEU CD2 1 1 5 2036 1 1 19 LEU CG C 11.830 -2.298 -3.292 1.00 . A X . 19 LEU CG 1 1 5 2037 1 1 19 LEU H H 10.369 0.550 -0.583 1.00 . A X . 19 LEU H 1 1 5 2038 1 1 19 LEU HA H 11.778 -2.032 -0.513 1.00 . A X . 19 LEU HA 1 1 5 2039 1 1 19 LEU HB2 H 10.034 -1.789 -2.258 1.00 . A X . 19 LEU HB2 1 1 5 2040 1 1 19 LEU HB3 H 10.907 -0.415 -2.912 1.00 . A X . 19 LEU HB3 1 1 5 2041 1 1 19 LEU HD11 H 11.015 -4.102 -2.479 1.00 . A X . 19 LEU HD11 1 1 5 2042 1 1 19 LEU HD12 H 12.489 -3.550 -1.686 1.00 . A X . 19 LEU HD12 1 1 5 2043 1 1 19 LEU HD13 H 12.574 -4.304 -3.278 1.00 . A X . 19 LEU HD13 1 1 5 2044 1 1 19 LEU HD21 H 10.180 -2.841 -4.537 1.00 . A X . 19 LEU HD21 1 1 5 2045 1 1 19 LEU HD22 H 11.763 -3.095 -5.271 1.00 . A X . 19 LEU HD22 1 1 5 2046 1 1 19 LEU HD23 H 11.113 -1.463 -5.121 1.00 . A X . 19 LEU HD23 1 1 5 2047 1 1 19 LEU HG H 12.816 -1.881 -3.437 1.00 . A X . 19 LEU HG 1 1 5 2048 1 1 19 LEU N N 10.722 -0.287 -0.218 1.00 . A X . 19 LEU N 1 1 5 2049 1 1 19 LEU O O 14.001 -0.900 -0.761 1.00 . A X . 19 LEU O 1 1 5 2050 1 1 20 LYS C C 14.703 2.068 -0.505 1.00 . A X . 20 LYS C 1 1 5 2051 1 1 20 LYS CA C 14.124 1.642 -1.854 1.00 . A X . 20 LYS CA 1 1 5 2052 1 1 20 LYS CB C 13.822 2.871 -2.714 1.00 . A X . 20 LYS CB 1 1 5 2053 1 1 20 LYS CD C 12.987 3.785 -4.903 1.00 . A X . 20 LYS CD 1 1 5 2054 1 1 20 LYS CE C 14.260 4.570 -5.186 1.00 . A X . 20 LYS CE 1 1 5 2055 1 1 20 LYS CG C 13.265 2.532 -4.087 1.00 . A X . 20 LYS CG 1 1 5 2056 1 1 20 LYS H H 12.054 1.222 -1.935 1.00 . A X . 20 LYS H 1 1 5 2057 1 1 20 LYS HA H 14.851 1.026 -2.363 1.00 . A X . 20 LYS HA 1 1 5 2058 1 1 20 LYS HB2 H 13.101 3.489 -2.200 1.00 . A X . 20 LYS HB2 1 1 5 2059 1 1 20 LYS HB3 H 14.733 3.433 -2.850 1.00 . A X . 20 LYS HB3 1 1 5 2060 1 1 20 LYS HD2 H 12.541 3.498 -5.843 1.00 . A X . 20 LYS HD2 1 1 5 2061 1 1 20 LYS HD3 H 12.300 4.414 -4.355 1.00 . A X . 20 LYS HD3 1 1 5 2062 1 1 20 LYS HE2 H 13.997 5.474 -5.714 1.00 . A X . 20 LYS HE2 1 1 5 2063 1 1 20 LYS HE3 H 14.729 4.828 -4.247 1.00 . A X . 20 LYS HE3 1 1 5 2064 1 1 20 LYS HG2 H 13.982 1.924 -4.616 1.00 . A X . 20 LYS HG2 1 1 5 2065 1 1 20 LYS HG3 H 12.342 1.982 -3.966 1.00 . A X . 20 LYS HG3 1 1 5 2066 1 1 20 LYS HZ1 H 16.103 4.334 -6.150 1.00 . A X . 20 LYS HZ1 1 1 5 2067 1 1 20 LYS HZ2 H 14.810 3.587 -6.950 1.00 . A X . 20 LYS HZ2 1 1 5 2068 1 1 20 LYS HZ3 H 15.456 2.887 -5.546 1.00 . A X . 20 LYS HZ3 1 1 5 2069 1 1 20 LYS N N 12.917 0.847 -1.669 1.00 . A X . 20 LYS N 1 1 5 2070 1 1 20 LYS NZ N 15.222 3.792 -6.014 1.00 . A X . 20 LYS NZ 1 1 5 2071 1 1 20 LYS O O 15.917 2.165 -0.342 1.00 . A X . 20 LYS O 1 1 5 2072 1 1 21 LEU C C 14.407 1.523 2.724 1.00 . A X . 21 LEU C 1 1 5 2073 1 1 21 LEU CA C 14.261 2.725 1.790 1.00 . A X . 21 LEU CA 1 1 5 2074 1 1 21 LEU CB C 13.264 3.726 2.383 1.00 . A X . 21 LEU CB 1 1 5 2075 1 1 21 LEU CD1 C 11.910 5.826 2.175 1.00 . A X . 21 LEU CD1 1 1 5 2076 1 1 21 LEU CD2 C 14.194 5.723 1.171 1.00 . A X . 21 LEU CD2 1 1 5 2077 1 1 21 LEU CG C 12.935 4.932 1.497 1.00 . A X . 21 LEU CG 1 1 5 2078 1 1 21 LEU H H 12.871 2.179 0.292 1.00 . A X . 21 LEU H 1 1 5 2079 1 1 21 LEU HA H 15.222 3.205 1.687 1.00 . A X . 21 LEU HA 1 1 5 2080 1 1 21 LEU HB2 H 12.346 3.199 2.595 1.00 . A X . 21 LEU HB2 1 1 5 2081 1 1 21 LEU HB3 H 13.669 4.094 3.313 1.00 . A X . 21 LEU HB3 1 1 5 2082 1 1 21 LEU HD11 H 11.681 6.664 1.531 1.00 . A X . 21 LEU HD11 1 1 5 2083 1 1 21 LEU HD12 H 12.312 6.191 3.108 1.00 . A X . 21 LEU HD12 1 1 5 2084 1 1 21 LEU HD13 H 11.010 5.263 2.365 1.00 . A X . 21 LEU HD13 1 1 5 2085 1 1 21 LEU HD21 H 14.891 5.090 0.641 1.00 . A X . 21 LEU HD21 1 1 5 2086 1 1 21 LEU HD22 H 14.648 6.068 2.088 1.00 . A X . 21 LEU HD22 1 1 5 2087 1 1 21 LEU HD23 H 13.939 6.572 0.555 1.00 . A X . 21 LEU HD23 1 1 5 2088 1 1 21 LEU HG H 12.510 4.581 0.567 1.00 . A X . 21 LEU HG 1 1 5 2089 1 1 21 LEU N N 13.830 2.297 0.467 1.00 . A X . 21 LEU N 1 1 5 2090 1 1 21 LEU O O 14.408 1.666 3.949 1.00 . A X . 21 LEU O 1 1 5 2091 1 1 22 LYS C C 15.865 -1.703 2.337 1.00 . A X . 22 LYS C 1 1 5 2092 1 1 22 LYS CA C 14.715 -0.886 2.915 1.00 . A X . 22 LYS CA 1 1 5 2093 1 1 22 LYS CB C 13.435 -1.729 2.937 1.00 . A X . 22 LYS CB 1 1 5 2094 1 1 22 LYS CD C 12.309 -3.868 3.676 1.00 . A X . 22 LYS CD 1 1 5 2095 1 1 22 LYS CE C 11.040 -3.179 4.159 1.00 . A X . 22 LYS CE 1 1 5 2096 1 1 22 LYS CG C 13.535 -2.973 3.813 1.00 . A X . 22 LYS CG 1 1 5 2097 1 1 22 LYS H H 14.470 0.281 1.162 1.00 . A X . 22 LYS H 1 1 5 2098 1 1 22 LYS HA H 14.965 -0.602 3.925 1.00 . A X . 22 LYS HA 1 1 5 2099 1 1 22 LYS HB2 H 12.624 -1.118 3.308 1.00 . A X . 22 LYS HB2 1 1 5 2100 1 1 22 LYS HB3 H 13.204 -2.042 1.928 1.00 . A X . 22 LYS HB3 1 1 5 2101 1 1 22 LYS HD2 H 12.187 -4.134 2.638 1.00 . A X . 22 LYS HD2 1 1 5 2102 1 1 22 LYS HD3 H 12.465 -4.763 4.262 1.00 . A X . 22 LYS HD3 1 1 5 2103 1 1 22 LYS HE2 H 11.140 -2.964 5.212 1.00 . A X . 22 LYS HE2 1 1 5 2104 1 1 22 LYS HE3 H 10.918 -2.254 3.613 1.00 . A X . 22 LYS HE3 1 1 5 2105 1 1 22 LYS HG2 H 14.409 -3.534 3.523 1.00 . A X . 22 LYS HG2 1 1 5 2106 1 1 22 LYS HG3 H 13.630 -2.667 4.846 1.00 . A X . 22 LYS HG3 1 1 5 2107 1 1 22 LYS HZ1 H 9.893 -4.886 4.535 1.00 . A X . 22 LYS HZ1 1 1 5 2108 1 1 22 LYS HZ2 H 9.769 -4.311 2.945 1.00 . A X . 22 LYS HZ2 1 1 5 2109 1 1 22 LYS HZ3 H 8.970 -3.501 4.204 1.00 . A X . 22 LYS HZ3 1 1 5 2110 1 1 22 LYS N N 14.519 0.336 2.140 1.00 . A X . 22 LYS N 1 1 5 2111 1 1 22 LYS NZ N 9.835 -4.027 3.948 1.00 . A X . 22 LYS NZ 1 1 5 2112 1 1 22 LYS O O 16.582 -2.388 3.072 1.00 . A X . 22 LYS O 1 1 5 2113 1 1 23 LYS C C 16.777 -3.801 0.142 1.00 . A X . 23 LYS C 1 1 5 2114 1 1 23 LYS CA C 17.087 -2.310 0.279 1.00 . A X . 23 LYS CA 1 1 5 2115 1 1 23 LYS CB C 18.464 -2.092 0.924 1.00 . A X . 23 LYS CB 1 1 5 2116 1 1 23 LYS CD C 20.274 -0.465 1.580 1.00 . A X . 23 LYS CD 1 1 5 2117 1 1 23 LYS CE C 20.707 0.991 1.600 1.00 . A X . 23 LYS CE 1 1 5 2118 1 1 23 LYS CG C 18.904 -0.635 0.937 1.00 . A X . 23 LYS CG 1 1 5 2119 1 1 23 LYS H H 15.394 -1.067 0.504 1.00 . A X . 23 LYS H 1 1 5 2120 1 1 23 LYS HA H 17.106 -1.885 -0.714 1.00 . A X . 23 LYS HA 1 1 5 2121 1 1 23 LYS HB2 H 18.432 -2.444 1.945 1.00 . A X . 23 LYS HB2 1 1 5 2122 1 1 23 LYS HB3 H 19.200 -2.663 0.378 1.00 . A X . 23 LYS HB3 1 1 5 2123 1 1 23 LYS HD2 H 20.234 -0.832 2.596 1.00 . A X . 23 LYS HD2 1 1 5 2124 1 1 23 LYS HD3 H 20.995 -1.038 1.019 1.00 . A X . 23 LYS HD3 1 1 5 2125 1 1 23 LYS HE2 H 19.968 1.566 2.137 1.00 . A X . 23 LYS HE2 1 1 5 2126 1 1 23 LYS HE3 H 21.658 1.064 2.110 1.00 . A X . 23 LYS HE3 1 1 5 2127 1 1 23 LYS HG2 H 18.946 -0.273 -0.079 1.00 . A X . 23 LYS HG2 1 1 5 2128 1 1 23 LYS HG3 H 18.180 -0.057 1.495 1.00 . A X . 23 LYS HG3 1 1 5 2129 1 1 23 LYS HZ1 H 21.540 0.994 -0.315 1.00 . A X . 23 LYS HZ1 1 1 5 2130 1 1 23 LYS HZ2 H 21.184 2.538 0.283 1.00 . A X . 23 LYS HZ2 1 1 5 2131 1 1 23 LYS HZ3 H 19.931 1.535 -0.264 1.00 . A X . 23 LYS HZ3 1 1 5 2132 1 1 23 LYS N N 16.028 -1.614 1.016 1.00 . A X . 23 LYS N 1 1 5 2133 1 1 23 LYS NZ N 20.849 1.552 0.232 1.00 . A X . 23 LYS NZ 1 1 5 2134 1 1 23 LYS O O 16.704 -4.317 -0.976 1.00 . A X . 23 LYS O 1 1 5 2135 1 1 24 ALA C C 17.325 -6.762 0.718 1.00 . A X . 24 ALA C 1 1 5 2136 1 1 24 ALA CA C 16.227 -5.886 1.325 1.00 . A X . 24 ALA CA 1 1 5 2137 1 1 24 ALA CB C 14.888 -6.128 0.636 1.00 . A X . 24 ALA CB 1 1 5 2138 1 1 24 ALA H H 16.703 -3.988 2.127 1.00 . A X . 24 ALA H 1 1 5 2139 1 1 24 ALA HA H 16.114 -6.153 2.367 1.00 . A X . 24 ALA HA 1 1 5 2140 1 1 24 ALA HB1 H 14.134 -5.499 1.085 1.00 . A X . 24 ALA HB1 1 1 5 2141 1 1 24 ALA HB2 H 14.607 -7.165 0.752 1.00 . A X . 24 ALA HB2 1 1 5 2142 1 1 24 ALA HB3 H 14.973 -5.894 -0.415 1.00 . A X . 24 ALA HB3 1 1 5 2143 1 1 24 ALA N N 16.587 -4.469 1.278 1.00 . A X . 24 ALA N 1 1 5 2144 1 1 24 ALA O O 18.325 -7.021 1.416 1.00 . A X . 24 ALA O 1 1 5 2145 1 1 24 ALA OXT O 17.181 -7.198 -0.443 1.00 . A X . 24 ALA OXT 1 1 6 2146 1 1 1 LYS C C -17.717 10.716 9.482 1.00 . A X . 1 LYS C 1 1 6 2147 1 1 1 LYS CA C -19.215 10.451 9.569 1.00 . A X . 1 LYS CA 1 1 6 2148 1 1 1 LYS CB C -19.606 10.106 11.013 1.00 . A X . 1 LYS CB 1 1 6 2149 1 1 1 LYS CD C -21.829 11.305 11.050 1.00 . A X . 1 LYS CD 1 1 6 2150 1 1 1 LYS CE C -21.714 12.210 12.275 1.00 . A X . 1 LYS CE 1 1 6 2151 1 1 1 LYS CG C -21.106 9.978 11.234 1.00 . A X . 1 LYS CG 1 1 6 2152 1 1 1 LYS H1 H -20.628 9.213 8.664 1.00 . A X . 1 LYS H1 1 1 6 2153 1 1 1 LYS H2 H -19.141 8.455 8.976 1.00 . A X . 1 LYS H2 1 1 6 2154 1 1 1 LYS H3 H -19.280 9.555 7.690 1.00 . A X . 1 LYS H3 1 1 6 2155 1 1 1 LYS HA H -19.743 11.339 9.258 1.00 . A X . 1 LYS HA 1 1 6 2156 1 1 1 LYS HB2 H -19.142 9.168 11.283 1.00 . A X . 1 LYS HB2 1 1 6 2157 1 1 1 LYS HB3 H -19.232 10.881 11.666 1.00 . A X . 1 LYS HB3 1 1 6 2158 1 1 1 LYS HD2 H -21.404 11.816 10.200 1.00 . A X . 1 LYS HD2 1 1 6 2159 1 1 1 LYS HD3 H -22.874 11.106 10.862 1.00 . A X . 1 LYS HD3 1 1 6 2160 1 1 1 LYS HE2 H -22.360 13.061 12.133 1.00 . A X . 1 LYS HE2 1 1 6 2161 1 1 1 LYS HE3 H -22.045 11.657 13.143 1.00 . A X . 1 LYS HE3 1 1 6 2162 1 1 1 LYS HG2 H -21.503 9.265 10.527 1.00 . A X . 1 LYS HG2 1 1 6 2163 1 1 1 LYS HG3 H -21.279 9.620 12.240 1.00 . A X . 1 LYS HG3 1 1 6 2164 1 1 1 LYS HZ1 H -19.711 11.905 12.807 1.00 . A X . 1 LYS HZ1 1 1 6 2165 1 1 1 LYS HZ2 H -20.327 13.415 13.274 1.00 . A X . 1 LYS HZ2 1 1 6 2166 1 1 1 LYS HZ3 H -19.938 13.126 11.649 1.00 . A X . 1 LYS HZ3 1 1 6 2167 1 1 1 LYS N N -19.593 9.344 8.664 1.00 . A X . 1 LYS N 1 1 6 2168 1 1 1 LYS NZ N -20.326 12.695 12.516 1.00 . A X . 1 LYS NZ 1 1 6 2169 1 1 1 LYS O O -16.955 10.313 10.362 1.00 . A X . 1 LYS O 1 1 6 2170 1 1 2 LYS C C -15.093 10.397 8.084 1.00 . A X . 2 LYS C 1 1 6 2171 1 1 2 LYS CA C -15.898 11.689 8.149 1.00 . A X . 2 LYS CA 1 1 6 2172 1 1 2 LYS CB C -15.331 12.634 9.215 1.00 . A X . 2 LYS CB 1 1 6 2173 1 1 2 LYS CD C -15.470 14.874 10.345 1.00 . A X . 2 LYS CD 1 1 6 2174 1 1 2 LYS CE C -16.167 16.229 10.369 1.00 . A X . 2 LYS CE 1 1 6 2175 1 1 2 LYS CG C -16.036 13.980 9.259 1.00 . A X . 2 LYS CG 1 1 6 2176 1 1 2 LYS H H -17.985 11.734 7.774 1.00 . A X . 2 LYS H 1 1 6 2177 1 1 2 LYS HA H -15.838 12.175 7.186 1.00 . A X . 2 LYS HA 1 1 6 2178 1 1 2 LYS HB2 H -15.429 12.166 10.184 1.00 . A X . 2 LYS HB2 1 1 6 2179 1 1 2 LYS HB3 H -14.285 12.805 9.011 1.00 . A X . 2 LYS HB3 1 1 6 2180 1 1 2 LYS HD2 H -15.604 14.388 11.302 1.00 . A X . 2 LYS HD2 1 1 6 2181 1 1 2 LYS HD3 H -14.417 15.024 10.161 1.00 . A X . 2 LYS HD3 1 1 6 2182 1 1 2 LYS HE2 H -17.213 16.075 10.584 1.00 . A X . 2 LYS HE2 1 1 6 2183 1 1 2 LYS HE3 H -15.726 16.833 11.148 1.00 . A X . 2 LYS HE3 1 1 6 2184 1 1 2 LYS HG2 H -15.911 14.473 8.306 1.00 . A X . 2 LYS HG2 1 1 6 2185 1 1 2 LYS HG3 H -17.086 13.822 9.449 1.00 . A X . 2 LYS HG3 1 1 6 2186 1 1 2 LYS HZ1 H -16.580 16.450 8.326 1.00 . A X . 2 LYS HZ1 1 1 6 2187 1 1 2 LYS HZ2 H -15.037 16.993 8.780 1.00 . A X . 2 LYS HZ2 1 1 6 2188 1 1 2 LYS HZ3 H -16.405 17.922 9.155 1.00 . A X . 2 LYS HZ3 1 1 6 2189 1 1 2 LYS N N -17.308 11.400 8.410 1.00 . A X . 2 LYS N 1 1 6 2190 1 1 2 LYS NZ N -16.039 16.948 9.069 1.00 . A X . 2 LYS NZ 1 1 6 2191 1 1 2 LYS O O -13.979 10.307 8.604 1.00 . A X . 2 LYS O 1 1 6 2192 1 1 3 LEU C C -14.159 8.036 6.091 1.00 . A X . 3 LEU C 1 1 6 2193 1 1 3 LEU CA C -15.066 8.091 7.311 1.00 . A X . 3 LEU CA 1 1 6 2194 1 1 3 LEU CB C -16.153 7.019 7.207 1.00 . A X . 3 LEU CB 1 1 6 2195 1 1 3 LEU CD1 C -14.968 5.233 8.518 1.00 . A X . 3 LEU CD1 1 1 6 2196 1 1 3 LEU CD2 C -16.796 4.609 6.928 1.00 . A X . 3 LEU CD2 1 1 6 2197 1 1 3 LEU CG C -15.650 5.572 7.201 1.00 . A X . 3 LEU CG 1 1 6 2198 1 1 3 LEU H H -16.537 9.563 6.993 1.00 . A X . 3 LEU H 1 1 6 2199 1 1 3 LEU HA H -14.477 7.915 8.198 1.00 . A X . 3 LEU HA 1 1 6 2200 1 1 3 LEU HB2 H -16.828 7.141 8.043 1.00 . A X . 3 LEU HB2 1 1 6 2201 1 1 3 LEU HB3 H -16.706 7.188 6.295 1.00 . A X . 3 LEU HB3 1 1 6 2202 1 1 3 LEU HD11 H -14.643 4.202 8.502 1.00 . A X . 3 LEU HD11 1 1 6 2203 1 1 3 LEU HD12 H -15.663 5.379 9.333 1.00 . A X . 3 LEU HD12 1 1 6 2204 1 1 3 LEU HD13 H -14.110 5.877 8.655 1.00 . A X . 3 LEU HD13 1 1 6 2205 1 1 3 LEU HD21 H -17.537 4.700 7.708 1.00 . A X . 3 LEU HD21 1 1 6 2206 1 1 3 LEU HD22 H -16.418 3.598 6.903 1.00 . A X . 3 LEU HD22 1 1 6 2207 1 1 3 LEU HD23 H -17.246 4.848 5.976 1.00 . A X . 3 LEU HD23 1 1 6 2208 1 1 3 LEU HG H -14.923 5.457 6.411 1.00 . A X . 3 LEU HG 1 1 6 2209 1 1 3 LEU N N -15.674 9.402 7.426 1.00 . A X . 3 LEU N 1 1 6 2210 1 1 3 LEU O O -14.619 8.107 4.952 1.00 . A X . 3 LEU O 1 1 6 2211 1 1 4 LYS C C -11.416 6.405 5.085 1.00 . A X . 4 LYS C 1 1 6 2212 1 1 4 LYS CA C -11.882 7.846 5.267 1.00 . A X . 4 LYS CA 1 1 6 2213 1 1 4 LYS CB C -10.700 8.763 5.594 1.00 . A X . 4 LYS CB 1 1 6 2214 1 1 4 LYS CD C -9.948 11.036 6.362 1.00 . A X . 4 LYS CD 1 1 6 2215 1 1 4 LYS CE C -10.403 12.390 6.884 1.00 . A X . 4 LYS CE 1 1 6 2216 1 1 4 LYS CG C -11.126 10.182 5.929 1.00 . A X . 4 LYS CG 1 1 6 2217 1 1 4 LYS H H -12.562 7.873 7.273 1.00 . A X . 4 LYS H 1 1 6 2218 1 1 4 LYS HA H -12.352 8.183 4.355 1.00 . A X . 4 LYS HA 1 1 6 2219 1 1 4 LYS HB2 H -10.165 8.356 6.440 1.00 . A X . 4 LYS HB2 1 1 6 2220 1 1 4 LYS HB3 H -10.036 8.798 4.742 1.00 . A X . 4 LYS HB3 1 1 6 2221 1 1 4 LYS HD2 H -9.413 10.523 7.144 1.00 . A X . 4 LYS HD2 1 1 6 2222 1 1 4 LYS HD3 H -9.294 11.188 5.513 1.00 . A X . 4 LYS HD3 1 1 6 2223 1 1 4 LYS HE2 H -11.054 12.234 7.730 1.00 . A X . 4 LYS HE2 1 1 6 2224 1 1 4 LYS HE3 H -9.534 12.949 7.202 1.00 . A X . 4 LYS HE3 1 1 6 2225 1 1 4 LYS HG2 H -11.575 10.627 5.053 1.00 . A X . 4 LYS HG2 1 1 6 2226 1 1 4 LYS HG3 H -11.850 10.148 6.730 1.00 . A X . 4 LYS HG3 1 1 6 2227 1 1 4 LYS HZ1 H -11.994 12.671 5.555 1.00 . A X . 4 LYS HZ1 1 1 6 2228 1 1 4 LYS HZ2 H -10.522 13.315 5.017 1.00 . A X . 4 LYS HZ2 1 1 6 2229 1 1 4 LYS HZ3 H -11.401 14.109 6.235 1.00 . A X . 4 LYS HZ3 1 1 6 2230 1 1 4 LYS N N -12.867 7.916 6.338 1.00 . A X . 4 LYS N 1 1 6 2231 1 1 4 LYS NZ N -11.131 13.174 5.852 1.00 . A X . 4 LYS NZ 1 1 6 2232 1 1 4 LYS O O -10.236 6.137 4.865 1.00 . A X . 4 LYS O 1 1 6 2233 1 1 5 LEU C C -12.113 3.574 3.678 1.00 . A X . 5 LEU C 1 1 6 2234 1 1 5 LEU CA C -12.048 4.061 5.121 1.00 . A X . 5 LEU CA 1 1 6 2235 1 1 5 LEU CB C -13.017 3.266 6.010 1.00 . A X . 5 LEU CB 1 1 6 2236 1 1 5 LEU CD1 C -13.440 1.416 7.645 1.00 . A X . 5 LEU CD1 1 1 6 2237 1 1 5 LEU CD2 C -12.254 0.907 5.516 1.00 . A X . 5 LEU CD2 1 1 6 2238 1 1 5 LEU CG C -12.478 1.953 6.599 1.00 . A X . 5 LEU CG 1 1 6 2239 1 1 5 LEU H H -13.289 5.760 5.311 1.00 . A X . 5 LEU H 1 1 6 2240 1 1 5 LEU HA H -11.043 3.927 5.488 1.00 . A X . 5 LEU HA 1 1 6 2241 1 1 5 LEU HB2 H -13.318 3.901 6.828 1.00 . A X . 5 LEU HB2 1 1 6 2242 1 1 5 LEU HB3 H -13.893 3.033 5.421 1.00 . A X . 5 LEU HB3 1 1 6 2243 1 1 5 LEU HD11 H -13.560 2.143 8.435 1.00 . A X . 5 LEU HD11 1 1 6 2244 1 1 5 LEU HD12 H -13.048 0.499 8.058 1.00 . A X . 5 LEU HD12 1 1 6 2245 1 1 5 LEU HD13 H -14.399 1.223 7.185 1.00 . A X . 5 LEU HD13 1 1 6 2246 1 1 5 LEU HD21 H -13.192 0.695 5.023 1.00 . A X . 5 LEU HD21 1 1 6 2247 1 1 5 LEU HD22 H -11.870 0.000 5.964 1.00 . A X . 5 LEU HD22 1 1 6 2248 1 1 5 LEU HD23 H -11.543 1.281 4.794 1.00 . A X . 5 LEU HD23 1 1 6 2249 1 1 5 LEU HG H -11.531 2.144 7.084 1.00 . A X . 5 LEU HG 1 1 6 2250 1 1 5 LEU N N -12.359 5.480 5.189 1.00 . A X . 5 LEU N 1 1 6 2251 1 1 5 LEU O O -13.091 2.956 3.256 1.00 . A X . 5 LEU O 1 1 6 2252 1 1 6 ALA C C -9.459 3.277 1.194 1.00 . A X . 6 ALA C 1 1 6 2253 1 1 6 ALA CA C -10.933 3.397 1.561 1.00 . A X . 6 ALA CA 1 1 6 2254 1 1 6 ALA CB C -11.654 4.326 0.597 1.00 . A X . 6 ALA CB 1 1 6 2255 1 1 6 ALA H H -10.371 4.461 3.299 1.00 . A X . 6 ALA H 1 1 6 2256 1 1 6 ALA HA H -11.391 2.419 1.503 1.00 . A X . 6 ALA HA 1 1 6 2257 1 1 6 ALA HB1 H -11.572 3.937 -0.409 1.00 . A X . 6 ALA HB1 1 1 6 2258 1 1 6 ALA HB2 H -11.206 5.309 0.640 1.00 . A X . 6 ALA HB2 1 1 6 2259 1 1 6 ALA HB3 H -12.696 4.394 0.872 1.00 . A X . 6 ALA HB3 1 1 6 2260 1 1 6 ALA N N -11.070 3.882 2.926 1.00 . A X . 6 ALA N 1 1 6 2261 1 1 6 ALA O O -8.987 3.929 0.260 1.00 . A X . 6 ALA O 1 1 6 2262 1 1 7 PRO C C -6.841 1.818 0.380 1.00 . A X . 7 PRO C 1 1 6 2263 1 1 7 PRO CA C -7.256 2.311 1.761 1.00 . A X . 7 PRO CA 1 1 6 2264 1 1 7 PRO CB C -6.851 1.291 2.831 1.00 . A X . 7 PRO CB 1 1 6 2265 1 1 7 PRO CD C -9.230 1.462 2.913 1.00 . A X . 7 PRO CD 1 1 6 2266 1 1 7 PRO CG C -8.088 0.505 3.099 1.00 . A X . 7 PRO CG 1 1 6 2267 1 1 7 PRO HA H -6.771 3.254 1.962 1.00 . A X . 7 PRO HA 1 1 6 2268 1 1 7 PRO HB2 H -6.058 0.664 2.451 1.00 . A X . 7 PRO HB2 1 1 6 2269 1 1 7 PRO HB3 H -6.515 1.810 3.715 1.00 . A X . 7 PRO HB3 1 1 6 2270 1 1 7 PRO HD2 H -10.101 0.943 2.541 1.00 . A X . 7 PRO HD2 1 1 6 2271 1 1 7 PRO HD3 H -9.456 1.964 3.842 1.00 . A X . 7 PRO HD3 1 1 6 2272 1 1 7 PRO HG2 H -8.164 -0.310 2.396 1.00 . A X . 7 PRO HG2 1 1 6 2273 1 1 7 PRO HG3 H -8.077 0.130 4.113 1.00 . A X . 7 PRO HG3 1 1 6 2274 1 1 7 PRO N N -8.712 2.416 1.912 1.00 . A X . 7 PRO N 1 1 6 2275 1 1 7 PRO O O -5.757 2.150 -0.106 1.00 . A X . 7 PRO O 1 1 6 2276 1 1 8 ALA C C -7.185 1.508 -2.627 1.00 . A X . 8 ALA C 1 1 6 2277 1 1 8 ALA CA C -7.457 0.453 -1.562 1.00 . A X . 8 ALA CA 1 1 6 2278 1 1 8 ALA CB C -8.618 -0.436 -1.979 1.00 . A X . 8 ALA CB 1 1 6 2279 1 1 8 ALA H H -8.594 0.886 0.171 1.00 . A X . 8 ALA H 1 1 6 2280 1 1 8 ALA HA H -6.581 -0.169 -1.462 1.00 . A X . 8 ALA HA 1 1 6 2281 1 1 8 ALA HB1 H -9.501 0.167 -2.128 1.00 . A X . 8 ALA HB1 1 1 6 2282 1 1 8 ALA HB2 H -8.805 -1.166 -1.207 1.00 . A X . 8 ALA HB2 1 1 6 2283 1 1 8 ALA HB3 H -8.369 -0.944 -2.900 1.00 . A X . 8 ALA HB3 1 1 6 2284 1 1 8 ALA N N -7.729 1.054 -0.256 1.00 . A X . 8 ALA N 1 1 6 2285 1 1 8 ALA O O -6.543 1.231 -3.637 1.00 . A X . 8 ALA O 1 1 6 2286 1 1 9 LYS C C -6.972 5.056 -2.579 1.00 . A X . 9 LYS C 1 1 6 2287 1 1 9 LYS CA C -7.437 3.812 -3.327 1.00 . A X . 9 LYS CA 1 1 6 2288 1 1 9 LYS CB C -8.702 4.114 -4.135 1.00 . A X . 9 LYS CB 1 1 6 2289 1 1 9 LYS CD C -11.048 5.016 -4.169 1.00 . A X . 9 LYS CD 1 1 6 2290 1 1 9 LYS CE C -10.622 6.096 -5.157 1.00 . A X . 9 LYS CE 1 1 6 2291 1 1 9 LYS CG C -9.885 4.571 -3.294 1.00 . A X . 9 LYS CG 1 1 6 2292 1 1 9 LYS H H -8.190 2.885 -1.582 1.00 . A X . 9 LYS H 1 1 6 2293 1 1 9 LYS HA H -6.653 3.505 -4.004 1.00 . A X . 9 LYS HA 1 1 6 2294 1 1 9 LYS HB2 H -8.477 4.892 -4.850 1.00 . A X . 9 LYS HB2 1 1 6 2295 1 1 9 LYS HB3 H -8.992 3.221 -4.670 1.00 . A X . 9 LYS HB3 1 1 6 2296 1 1 9 LYS HD2 H -11.420 4.165 -4.720 1.00 . A X . 9 LYS HD2 1 1 6 2297 1 1 9 LYS HD3 H -11.832 5.408 -3.537 1.00 . A X . 9 LYS HD3 1 1 6 2298 1 1 9 LYS HE2 H -9.883 5.681 -5.826 1.00 . A X . 9 LYS HE2 1 1 6 2299 1 1 9 LYS HE3 H -11.487 6.407 -5.726 1.00 . A X . 9 LYS HE3 1 1 6 2300 1 1 9 LYS HG2 H -10.209 3.754 -2.667 1.00 . A X . 9 LYS HG2 1 1 6 2301 1 1 9 LYS HG3 H -9.575 5.400 -2.676 1.00 . A X . 9 LYS HG3 1 1 6 2302 1 1 9 LYS HZ1 H -9.249 6.993 -3.862 1.00 . A X . 9 LYS HZ1 1 1 6 2303 1 1 9 LYS HZ2 H -10.764 7.752 -3.888 1.00 . A X . 9 LYS HZ2 1 1 6 2304 1 1 9 LYS HZ3 H -9.682 7.965 -5.179 1.00 . A X . 9 LYS HZ3 1 1 6 2305 1 1 9 LYS N N -7.671 2.720 -2.398 1.00 . A X . 9 LYS N 1 1 6 2306 1 1 9 LYS NZ N -10.039 7.283 -4.473 1.00 . A X . 9 LYS NZ 1 1 6 2307 1 1 9 LYS O O -7.252 6.188 -2.987 1.00 . A X . 9 LYS O 1 1 6 2308 1 1 10 LEU C C -4.298 5.694 -0.295 1.00 . A X . 10 LEU C 1 1 6 2309 1 1 10 LEU CA C -5.760 5.930 -0.656 1.00 . A X . 10 LEU CA 1 1 6 2310 1 1 10 LEU CB C -6.604 6.056 0.616 1.00 . A X . 10 LEU CB 1 1 6 2311 1 1 10 LEU CD1 C -6.479 8.551 0.836 1.00 . A X . 10 LEU CD1 1 1 6 2312 1 1 10 LEU CD2 C -7.038 7.144 2.822 1.00 . A X . 10 LEU CD2 1 1 6 2313 1 1 10 LEU CG C -6.237 7.221 1.534 1.00 . A X . 10 LEU CG 1 1 6 2314 1 1 10 LEU H H -6.043 3.914 -1.233 1.00 . A X . 10 LEU H 1 1 6 2315 1 1 10 LEU HA H -5.837 6.843 -1.225 1.00 . A X . 10 LEU HA 1 1 6 2316 1 1 10 LEU HB2 H -7.637 6.169 0.326 1.00 . A X . 10 LEU HB2 1 1 6 2317 1 1 10 LEU HB3 H -6.504 5.141 1.181 1.00 . A X . 10 LEU HB3 1 1 6 2318 1 1 10 LEU HD11 H -7.512 8.611 0.532 1.00 . A X . 10 LEU HD11 1 1 6 2319 1 1 10 LEU HD12 H -5.841 8.621 -0.033 1.00 . A X . 10 LEU HD12 1 1 6 2320 1 1 10 LEU HD13 H -6.255 9.358 1.515 1.00 . A X . 10 LEU HD13 1 1 6 2321 1 1 10 LEU HD21 H -8.092 7.178 2.590 1.00 . A X . 10 LEU HD21 1 1 6 2322 1 1 10 LEU HD22 H -6.781 7.981 3.455 1.00 . A X . 10 LEU HD22 1 1 6 2323 1 1 10 LEU HD23 H -6.810 6.222 3.334 1.00 . A X . 10 LEU HD23 1 1 6 2324 1 1 10 LEU HG H -5.187 7.159 1.787 1.00 . A X . 10 LEU HG 1 1 6 2325 1 1 10 LEU N N -6.255 4.837 -1.484 1.00 . A X . 10 LEU N 1 1 6 2326 1 1 10 LEU O O -3.459 6.587 -0.430 1.00 . A X . 10 LEU O 1 1 6 2327 1 1 11 ALA C C -2.390 2.651 0.217 1.00 . A X . 11 ALA C 1 1 6 2328 1 1 11 ALA CA C -2.648 4.118 0.535 1.00 . A X . 11 ALA CA 1 1 6 2329 1 1 11 ALA CB C -2.423 4.393 2.014 1.00 . A X . 11 ALA CB 1 1 6 2330 1 1 11 ALA H H -4.708 3.810 0.230 1.00 . A X . 11 ALA H 1 1 6 2331 1 1 11 ALA HA H -1.962 4.728 -0.032 1.00 . A X . 11 ALA HA 1 1 6 2332 1 1 11 ALA HB1 H -1.404 4.143 2.276 1.00 . A X . 11 ALA HB1 1 1 6 2333 1 1 11 ALA HB2 H -3.103 3.792 2.599 1.00 . A X . 11 ALA HB2 1 1 6 2334 1 1 11 ALA HB3 H -2.599 5.439 2.215 1.00 . A X . 11 ALA HB3 1 1 6 2335 1 1 11 ALA N N -3.999 4.483 0.154 1.00 . A X . 11 ALA N 1 1 6 2336 1 1 11 ALA O O -2.276 1.816 1.114 1.00 . A X . 11 ALA O 1 1 6 2337 1 1 12 LEU C C -0.718 0.818 -2.123 1.00 . A X . 12 LEU C 1 1 6 2338 1 1 12 LEU CA C -2.110 0.967 -1.512 1.00 . A X . 12 LEU CA 1 1 6 2339 1 1 12 LEU CB C -3.180 0.568 -2.539 1.00 . A X . 12 LEU CB 1 1 6 2340 1 1 12 LEU CD1 C -3.566 -1.790 -1.779 1.00 . A X . 12 LEU CD1 1 1 6 2341 1 1 12 LEU CD2 C -4.111 -1.136 -4.131 1.00 . A X . 12 LEU CD2 1 1 6 2342 1 1 12 LEU CG C -3.176 -0.907 -2.952 1.00 . A X . 12 LEU CG 1 1 6 2343 1 1 12 LEU H H -2.429 3.045 -1.741 1.00 . A X . 12 LEU H 1 1 6 2344 1 1 12 LEU HA H -2.185 0.319 -0.650 1.00 . A X . 12 LEU HA 1 1 6 2345 1 1 12 LEU HB2 H -4.149 0.802 -2.123 1.00 . A X . 12 LEU HB2 1 1 6 2346 1 1 12 LEU HB3 H -3.036 1.166 -3.426 1.00 . A X . 12 LEU HB3 1 1 6 2347 1 1 12 LEU HD11 H -4.561 -1.532 -1.449 1.00 . A X . 12 LEU HD11 1 1 6 2348 1 1 12 LEU HD12 H -2.867 -1.639 -0.968 1.00 . A X . 12 LEU HD12 1 1 6 2349 1 1 12 LEU HD13 H -3.544 -2.825 -2.085 1.00 . A X . 12 LEU HD13 1 1 6 2350 1 1 12 LEU HD21 H -5.111 -0.830 -3.862 1.00 . A X . 12 LEU HD21 1 1 6 2351 1 1 12 LEU HD22 H -4.111 -2.184 -4.390 1.00 . A X . 12 LEU HD22 1 1 6 2352 1 1 12 LEU HD23 H -3.772 -0.556 -4.977 1.00 . A X . 12 LEU HD23 1 1 6 2353 1 1 12 LEU HG H -2.177 -1.184 -3.258 1.00 . A X . 12 LEU HG 1 1 6 2354 1 1 12 LEU N N -2.325 2.338 -1.070 1.00 . A X . 12 LEU N 1 1 6 2355 1 1 12 LEU O O -0.353 -0.243 -2.632 1.00 . A X . 12 LEU O 1 1 6 2356 1 1 13 LEU C C 2.480 2.020 -1.621 1.00 . A X . 13 LEU C 1 1 6 2357 1 1 13 LEU CA C 1.386 1.880 -2.674 1.00 . A X . 13 LEU CA 1 1 6 2358 1 1 13 LEU CB C 1.500 2.999 -3.717 1.00 . A X . 13 LEU CB 1 1 6 2359 1 1 13 LEU CD1 C 3.010 1.689 -5.237 1.00 . A X . 13 LEU CD1 1 1 6 2360 1 1 13 LEU CD2 C 2.808 4.157 -5.518 1.00 . A X . 13 LEU CD2 1 1 6 2361 1 1 13 LEU CG C 2.806 3.011 -4.520 1.00 . A X . 13 LEU CG 1 1 6 2362 1 1 13 LEU H H -0.242 2.681 -1.590 1.00 . A X . 13 LEU H 1 1 6 2363 1 1 13 LEU HA H 1.509 0.929 -3.172 1.00 . A X . 13 LEU HA 1 1 6 2364 1 1 13 LEU HB2 H 0.675 2.901 -4.410 1.00 . A X . 13 LEU HB2 1 1 6 2365 1 1 13 LEU HB3 H 1.408 3.947 -3.208 1.00 . A X . 13 LEU HB3 1 1 6 2366 1 1 13 LEU HD11 H 3.924 1.730 -5.813 1.00 . A X . 13 LEU HD11 1 1 6 2367 1 1 13 LEU HD12 H 2.177 1.506 -5.900 1.00 . A X . 13 LEU HD12 1 1 6 2368 1 1 13 LEU HD13 H 3.076 0.890 -4.513 1.00 . A X . 13 LEU HD13 1 1 6 2369 1 1 13 LEU HD21 H 2.752 5.096 -4.987 1.00 . A X . 13 LEU HD21 1 1 6 2370 1 1 13 LEU HD22 H 1.958 4.064 -6.176 1.00 . A X . 13 LEU HD22 1 1 6 2371 1 1 13 LEU HD23 H 3.718 4.127 -6.099 1.00 . A X . 13 LEU HD23 1 1 6 2372 1 1 13 LEU HG H 3.636 3.153 -3.843 1.00 . A X . 13 LEU HG 1 1 6 2373 1 1 13 LEU N N 0.067 1.883 -2.062 1.00 . A X . 13 LEU N 1 1 6 2374 1 1 13 LEU O O 3.132 3.056 -1.513 1.00 . A X . 13 LEU O 1 1 6 2375 1 1 14 TRP C C 4.896 0.077 -0.446 1.00 . A X . 14 TRP C 1 1 6 2376 1 1 14 TRP CA C 3.768 0.928 0.115 1.00 . A X . 14 TRP CA 1 1 6 2377 1 1 14 TRP CB C 3.300 0.375 1.459 1.00 . A X . 14 TRP CB 1 1 6 2378 1 1 14 TRP CD1 C 0.979 1.088 2.286 1.00 . A X . 14 TRP CD1 1 1 6 2379 1 1 14 TRP CD2 C 2.621 2.520 2.802 1.00 . A X . 14 TRP CD2 1 1 6 2380 1 1 14 TRP CE2 C 1.409 3.027 3.310 1.00 . A X . 14 TRP CE2 1 1 6 2381 1 1 14 TRP CE3 C 3.794 3.250 3.006 1.00 . A X . 14 TRP CE3 1 1 6 2382 1 1 14 TRP CG C 2.325 1.276 2.155 1.00 . A X . 14 TRP CG 1 1 6 2383 1 1 14 TRP CH2 C 2.501 4.926 4.189 1.00 . A X . 14 TRP CH2 1 1 6 2384 1 1 14 TRP CZ2 C 1.338 4.232 4.007 1.00 . A X . 14 TRP CZ2 1 1 6 2385 1 1 14 TRP CZ3 C 3.721 4.447 3.693 1.00 . A X . 14 TRP CZ3 1 1 6 2386 1 1 14 TRP H H 2.063 0.199 -0.906 1.00 . A X . 14 TRP H 1 1 6 2387 1 1 14 TRP HA H 4.128 1.938 0.253 1.00 . A X . 14 TRP HA 1 1 6 2388 1 1 14 TRP HB2 H 2.822 -0.580 1.300 1.00 . A X . 14 TRP HB2 1 1 6 2389 1 1 14 TRP HB3 H 4.154 0.244 2.104 1.00 . A X . 14 TRP HB3 1 1 6 2390 1 1 14 TRP HD1 H 0.445 0.235 1.896 1.00 . A X . 14 TRP HD1 1 1 6 2391 1 1 14 TRP HE1 H -0.532 2.223 3.214 1.00 . A X . 14 TRP HE1 1 1 6 2392 1 1 14 TRP HE3 H 4.742 2.897 2.631 1.00 . A X . 14 TRP HE3 1 1 6 2393 1 1 14 TRP HH2 H 2.492 5.865 4.719 1.00 . A X . 14 TRP HH2 1 1 6 2394 1 1 14 TRP HZ2 H 0.403 4.617 4.391 1.00 . A X . 14 TRP HZ2 1 1 6 2395 1 1 14 TRP HZ3 H 4.615 5.027 3.860 1.00 . A X . 14 TRP HZ3 1 1 6 2396 1 1 14 TRP N N 2.673 0.971 -0.839 1.00 . A X . 14 TRP N 1 1 6 2397 1 1 14 TRP NE1 N 0.423 2.133 2.985 1.00 . A X . 14 TRP NE1 1 1 6 2398 1 1 14 TRP O O 6.036 0.134 0.022 1.00 . A X . 14 TRP O 1 1 6 2399 1 1 15 LYS C C 6.453 -0.696 -3.076 1.00 . A X . 15 LYS C 1 1 6 2400 1 1 15 LYS CA C 5.531 -1.531 -2.181 1.00 . A X . 15 LYS CA 1 1 6 2401 1 1 15 LYS CB C 4.794 -2.610 -2.987 1.00 . A X . 15 LYS CB 1 1 6 2402 1 1 15 LYS CD C 2.641 -3.149 -4.153 1.00 . A X . 15 LYS CD 1 1 6 2403 1 1 15 LYS CE C 1.494 -2.628 -5.007 1.00 . A X . 15 LYS CE 1 1 6 2404 1 1 15 LYS CG C 3.678 -2.073 -3.873 1.00 . A X . 15 LYS CG 1 1 6 2405 1 1 15 LYS H H 3.632 -0.687 -1.788 1.00 . A X . 15 LYS H 1 1 6 2406 1 1 15 LYS HA H 6.136 -2.017 -1.429 1.00 . A X . 15 LYS HA 1 1 6 2407 1 1 15 LYS HB2 H 5.507 -3.122 -3.616 1.00 . A X . 15 LYS HB2 1 1 6 2408 1 1 15 LYS HB3 H 4.365 -3.322 -2.297 1.00 . A X . 15 LYS HB3 1 1 6 2409 1 1 15 LYS HD2 H 3.119 -3.966 -4.675 1.00 . A X . 15 LYS HD2 1 1 6 2410 1 1 15 LYS HD3 H 2.246 -3.502 -3.213 1.00 . A X . 15 LYS HD3 1 1 6 2411 1 1 15 LYS HE2 H 0.670 -3.323 -4.943 1.00 . A X . 15 LYS HE2 1 1 6 2412 1 1 15 LYS HE3 H 1.183 -1.668 -4.623 1.00 . A X . 15 LYS HE3 1 1 6 2413 1 1 15 LYS HG2 H 3.200 -1.245 -3.371 1.00 . A X . 15 LYS HG2 1 1 6 2414 1 1 15 LYS HG3 H 4.102 -1.737 -4.807 1.00 . A X . 15 LYS HG3 1 1 6 2415 1 1 15 LYS HZ1 H 2.169 -3.399 -6.826 1.00 . A X . 15 LYS HZ1 1 1 6 2416 1 1 15 LYS HZ2 H 2.688 -1.811 -6.523 1.00 . A X . 15 LYS HZ2 1 1 6 2417 1 1 15 LYS HZ3 H 1.083 -2.107 -6.986 1.00 . A X . 15 LYS HZ3 1 1 6 2418 1 1 15 LYS N N 4.566 -0.685 -1.485 1.00 . A X . 15 LYS N 1 1 6 2419 1 1 15 LYS NZ N 1.886 -2.474 -6.432 1.00 . A X . 15 LYS NZ 1 1 6 2420 1 1 15 LYS O O 6.683 -1.011 -4.246 1.00 . A X . 15 LYS O 1 1 6 2421 1 1 16 ALA C C 8.754 1.982 -2.120 1.00 . A X . 16 ALA C 1 1 6 2422 1 1 16 ALA CA C 7.908 1.265 -3.165 1.00 . A X . 16 ALA CA 1 1 6 2423 1 1 16 ALA CB C 7.159 2.267 -4.036 1.00 . A X . 16 ALA CB 1 1 6 2424 1 1 16 ALA H H 6.729 0.564 -1.562 1.00 . A X . 16 ALA H 1 1 6 2425 1 1 16 ALA HA H 8.553 0.670 -3.799 1.00 . A X . 16 ALA HA 1 1 6 2426 1 1 16 ALA HB1 H 6.579 1.738 -4.776 1.00 . A X . 16 ALA HB1 1 1 6 2427 1 1 16 ALA HB2 H 7.866 2.914 -4.531 1.00 . A X . 16 ALA HB2 1 1 6 2428 1 1 16 ALA HB3 H 6.500 2.860 -3.419 1.00 . A X . 16 ALA HB3 1 1 6 2429 1 1 16 ALA N N 6.976 0.373 -2.495 1.00 . A X . 16 ALA N 1 1 6 2430 1 1 16 ALA O O 9.982 1.984 -2.187 1.00 . A X . 16 ALA O 1 1 6 2431 1 1 17 LEU C C 9.560 2.248 0.792 1.00 . A X . 17 LEU C 1 1 6 2432 1 1 17 LEU CA C 8.746 3.239 -0.031 1.00 . A X . 17 LEU CA 1 1 6 2433 1 1 17 LEU CB C 7.729 3.952 0.876 1.00 . A X . 17 LEU CB 1 1 6 2434 1 1 17 LEU CD1 C 8.060 6.164 -0.273 1.00 . A X . 17 LEU CD1 1 1 6 2435 1 1 17 LEU CD2 C 6.027 4.794 -0.792 1.00 . A X . 17 LEU CD2 1 1 6 2436 1 1 17 LEU CG C 7.034 5.188 0.280 1.00 . A X . 17 LEU CG 1 1 6 2437 1 1 17 LEU H H 7.099 2.527 -1.144 1.00 . A X . 17 LEU H 1 1 6 2438 1 1 17 LEU HA H 9.416 3.975 -0.454 1.00 . A X . 17 LEU HA 1 1 6 2439 1 1 17 LEU HB2 H 6.967 3.236 1.149 1.00 . A X . 17 LEU HB2 1 1 6 2440 1 1 17 LEU HB3 H 8.243 4.259 1.775 1.00 . A X . 17 LEU HB3 1 1 6 2441 1 1 17 LEU HD11 H 7.554 6.998 -0.737 1.00 . A X . 17 LEU HD11 1 1 6 2442 1 1 17 LEU HD12 H 8.675 5.663 -1.008 1.00 . A X . 17 LEU HD12 1 1 6 2443 1 1 17 LEU HD13 H 8.684 6.523 0.532 1.00 . A X . 17 LEU HD13 1 1 6 2444 1 1 17 LEU HD21 H 5.280 4.143 -0.362 1.00 . A X . 17 LEU HD21 1 1 6 2445 1 1 17 LEU HD22 H 6.538 4.278 -1.592 1.00 . A X . 17 LEU HD22 1 1 6 2446 1 1 17 LEU HD23 H 5.550 5.680 -1.181 1.00 . A X . 17 LEU HD23 1 1 6 2447 1 1 17 LEU HG H 6.494 5.695 1.068 1.00 . A X . 17 LEU HG 1 1 6 2448 1 1 17 LEU N N 8.077 2.556 -1.130 1.00 . A X . 17 LEU N 1 1 6 2449 1 1 17 LEU O O 10.689 2.535 1.195 1.00 . A X . 17 LEU O 1 1 6 2450 1 1 18 ALA C C 10.828 -0.577 1.069 1.00 . A X . 18 ALA C 1 1 6 2451 1 1 18 ALA CA C 9.642 0.039 1.813 1.00 . A X . 18 ALA CA 1 1 6 2452 1 1 18 ALA CB C 8.643 -1.037 2.207 1.00 . A X . 18 ALA CB 1 1 6 2453 1 1 18 ALA H H 8.095 0.891 0.643 1.00 . A X . 18 ALA H 1 1 6 2454 1 1 18 ALA HA H 10.004 0.505 2.718 1.00 . A X . 18 ALA HA 1 1 6 2455 1 1 18 ALA HB1 H 7.819 -0.584 2.735 1.00 . A X . 18 ALA HB1 1 1 6 2456 1 1 18 ALA HB2 H 9.125 -1.764 2.845 1.00 . A X . 18 ALA HB2 1 1 6 2457 1 1 18 ALA HB3 H 8.273 -1.529 1.318 1.00 . A X . 18 ALA HB3 1 1 6 2458 1 1 18 ALA N N 8.987 1.069 1.015 1.00 . A X . 18 ALA N 1 1 6 2459 1 1 18 ALA O O 11.691 -1.214 1.672 1.00 . A X . 18 ALA O 1 1 6 2460 1 1 19 LEU C C 13.206 -0.021 -0.874 1.00 . A X . 19 LEU C 1 1 6 2461 1 1 19 LEU CA C 11.968 -0.892 -1.049 1.00 . A X . 19 LEU CA 1 1 6 2462 1 1 19 LEU CB C 11.566 -0.932 -2.522 1.00 . A X . 19 LEU CB 1 1 6 2463 1 1 19 LEU CD1 C 12.941 -2.908 -3.229 1.00 . A X . 19 LEU CD1 1 1 6 2464 1 1 19 LEU CD2 C 12.237 -1.211 -4.923 1.00 . A X . 19 LEU CD2 1 1 6 2465 1 1 19 LEU CG C 12.649 -1.438 -3.477 1.00 . A X . 19 LEU CG 1 1 6 2466 1 1 19 LEU H H 10.154 0.127 -0.671 1.00 . A X . 19 LEU H 1 1 6 2467 1 1 19 LEU HA H 12.193 -1.895 -0.715 1.00 . A X . 19 LEU HA 1 1 6 2468 1 1 19 LEU HB2 H 10.698 -1.568 -2.620 1.00 . A X . 19 LEU HB2 1 1 6 2469 1 1 19 LEU HB3 H 11.293 0.068 -2.823 1.00 . A X . 19 LEU HB3 1 1 6 2470 1 1 19 LEU HD11 H 12.039 -3.485 -3.376 1.00 . A X . 19 LEU HD11 1 1 6 2471 1 1 19 LEU HD12 H 13.291 -3.041 -2.216 1.00 . A X . 19 LEU HD12 1 1 6 2472 1 1 19 LEU HD13 H 13.700 -3.244 -3.919 1.00 . A X . 19 LEU HD13 1 1 6 2473 1 1 19 LEU HD21 H 12.076 -0.156 -5.091 1.00 . A X . 19 LEU HD21 1 1 6 2474 1 1 19 LEU HD22 H 11.326 -1.752 -5.127 1.00 . A X . 19 LEU HD22 1 1 6 2475 1 1 19 LEU HD23 H 13.021 -1.563 -5.577 1.00 . A X . 19 LEU HD23 1 1 6 2476 1 1 19 LEU HG H 13.560 -0.883 -3.299 1.00 . A X . 19 LEU HG 1 1 6 2477 1 1 19 LEU N N 10.871 -0.379 -0.241 1.00 . A X . 19 LEU N 1 1 6 2478 1 1 19 LEU O O 14.302 -0.521 -0.607 1.00 . A X . 19 LEU O 1 1 6 2479 1 1 20 LYS C C 14.644 2.278 0.551 1.00 . A X . 20 LYS C 1 1 6 2480 1 1 20 LYS CA C 14.108 2.244 -0.875 1.00 . A X . 20 LYS CA 1 1 6 2481 1 1 20 LYS CB C 13.643 3.644 -1.284 1.00 . A X . 20 LYS CB 1 1 6 2482 1 1 20 LYS CD C 12.653 5.138 -3.038 1.00 . A X . 20 LYS CD 1 1 6 2483 1 1 20 LYS CE C 12.141 5.251 -4.467 1.00 . A X . 20 LYS CE 1 1 6 2484 1 1 20 LYS CG C 13.096 3.723 -2.701 1.00 . A X . 20 LYS CG 1 1 6 2485 1 1 20 LYS H H 12.109 1.619 -1.178 1.00 . A X . 20 LYS H 1 1 6 2486 1 1 20 LYS HA H 14.901 1.927 -1.537 1.00 . A X . 20 LYS HA 1 1 6 2487 1 1 20 LYS HB2 H 12.866 3.964 -0.606 1.00 . A X . 20 LYS HB2 1 1 6 2488 1 1 20 LYS HB3 H 14.477 4.324 -1.207 1.00 . A X . 20 LYS HB3 1 1 6 2489 1 1 20 LYS HD2 H 11.863 5.427 -2.362 1.00 . A X . 20 LYS HD2 1 1 6 2490 1 1 20 LYS HD3 H 13.495 5.803 -2.915 1.00 . A X . 20 LYS HD3 1 1 6 2491 1 1 20 LYS HE2 H 11.284 4.603 -4.579 1.00 . A X . 20 LYS HE2 1 1 6 2492 1 1 20 LYS HE3 H 11.843 6.273 -4.648 1.00 . A X . 20 LYS HE3 1 1 6 2493 1 1 20 LYS HG2 H 13.866 3.420 -3.395 1.00 . A X . 20 LYS HG2 1 1 6 2494 1 1 20 LYS HG3 H 12.249 3.061 -2.788 1.00 . A X . 20 LYS HG3 1 1 6 2495 1 1 20 LYS HZ1 H 14.100 5.250 -5.197 1.00 . A X . 20 LYS HZ1 1 1 6 2496 1 1 20 LYS HZ2 H 12.915 5.230 -6.409 1.00 . A X . 20 LYS HZ2 1 1 6 2497 1 1 20 LYS HZ3 H 13.247 3.822 -5.523 1.00 . A X . 20 LYS HZ3 1 1 6 2498 1 1 20 LYS N N 13.013 1.288 -0.996 1.00 . A X . 20 LYS N 1 1 6 2499 1 1 20 LYS NZ N 13.172 4.862 -5.466 1.00 . A X . 20 LYS NZ 1 1 6 2500 1 1 20 LYS O O 15.767 2.710 0.794 1.00 . A X . 20 LYS O 1 1 6 2501 1 1 21 LEU C C 15.067 0.586 3.225 1.00 . A X . 21 LEU C 1 1 6 2502 1 1 21 LEU CA C 14.207 1.806 2.895 1.00 . A X . 21 LEU CA 1 1 6 2503 1 1 21 LEU CB C 12.947 1.819 3.768 1.00 . A X . 21 LEU CB 1 1 6 2504 1 1 21 LEU CD1 C 13.823 3.323 5.577 1.00 . A X . 21 LEU CD1 1 1 6 2505 1 1 21 LEU CD2 C 11.887 1.813 6.041 1.00 . A X . 21 LEU CD2 1 1 6 2506 1 1 21 LEU CG C 13.190 1.975 5.272 1.00 . A X . 21 LEU CG 1 1 6 2507 1 1 21 LEU H H 12.951 1.468 1.228 1.00 . A X . 21 LEU H 1 1 6 2508 1 1 21 LEU HA H 14.778 2.701 3.086 1.00 . A X . 21 LEU HA 1 1 6 2509 1 1 21 LEU HB2 H 12.319 2.636 3.442 1.00 . A X . 21 LEU HB2 1 1 6 2510 1 1 21 LEU HB3 H 12.416 0.894 3.607 1.00 . A X . 21 LEU HB3 1 1 6 2511 1 1 21 LEU HD11 H 13.169 4.113 5.239 1.00 . A X . 21 LEU HD11 1 1 6 2512 1 1 21 LEU HD12 H 14.772 3.400 5.066 1.00 . A X . 21 LEU HD12 1 1 6 2513 1 1 21 LEU HD13 H 13.979 3.415 6.642 1.00 . A X . 21 LEU HD13 1 1 6 2514 1 1 21 LEU HD21 H 11.183 2.567 5.719 1.00 . A X . 21 LEU HD21 1 1 6 2515 1 1 21 LEU HD22 H 12.078 1.928 7.097 1.00 . A X . 21 LEU HD22 1 1 6 2516 1 1 21 LEU HD23 H 11.477 0.833 5.852 1.00 . A X . 21 LEU HD23 1 1 6 2517 1 1 21 LEU HG H 13.872 1.204 5.601 1.00 . A X . 21 LEU HG 1 1 6 2518 1 1 21 LEU N N 13.831 1.810 1.488 1.00 . A X . 21 LEU N 1 1 6 2519 1 1 21 LEU O O 15.625 0.484 4.318 1.00 . A X . 21 LEU O 1 1 6 2520 1 1 22 LYS C C 17.066 -1.721 1.487 1.00 . A X . 22 LYS C 1 1 6 2521 1 1 22 LYS CA C 15.936 -1.557 2.500 1.00 . A X . 22 LYS CA 1 1 6 2522 1 1 22 LYS CB C 15.001 -2.769 2.462 1.00 . A X . 22 LYS CB 1 1 6 2523 1 1 22 LYS CD C 14.713 -5.208 3.006 1.00 . A X . 22 LYS CD 1 1 6 2524 1 1 22 LYS CE C 13.906 -4.957 4.273 1.00 . A X . 22 LYS CE 1 1 6 2525 1 1 22 LYS CG C 15.705 -4.087 2.751 1.00 . A X . 22 LYS CG 1 1 6 2526 1 1 22 LYS H H 14.773 -0.173 1.399 1.00 . A X . 22 LYS H 1 1 6 2527 1 1 22 LYS HA H 16.371 -1.492 3.488 1.00 . A X . 22 LYS HA 1 1 6 2528 1 1 22 LYS HB2 H 14.222 -2.634 3.198 1.00 . A X . 22 LYS HB2 1 1 6 2529 1 1 22 LYS HB3 H 14.551 -2.834 1.481 1.00 . A X . 22 LYS HB3 1 1 6 2530 1 1 22 LYS HD2 H 14.037 -5.274 2.167 1.00 . A X . 22 LYS HD2 1 1 6 2531 1 1 22 LYS HD3 H 15.252 -6.138 3.111 1.00 . A X . 22 LYS HD3 1 1 6 2532 1 1 22 LYS HE2 H 14.589 -4.862 5.104 1.00 . A X . 22 LYS HE2 1 1 6 2533 1 1 22 LYS HE3 H 13.357 -4.034 4.156 1.00 . A X . 22 LYS HE3 1 1 6 2534 1 1 22 LYS HG2 H 16.318 -4.349 1.904 1.00 . A X . 22 LYS HG2 1 1 6 2535 1 1 22 LYS HG3 H 16.328 -3.964 3.625 1.00 . A X . 22 LYS HG3 1 1 6 2536 1 1 22 LYS HZ1 H 12.302 -6.188 3.747 1.00 . A X . 22 LYS HZ1 1 1 6 2537 1 1 22 LYS HZ2 H 12.379 -5.827 5.398 1.00 . A X . 22 LYS HZ2 1 1 6 2538 1 1 22 LYS HZ3 H 13.462 -6.950 4.726 1.00 . A X . 22 LYS HZ3 1 1 6 2539 1 1 22 LYS N N 15.187 -0.330 2.272 1.00 . A X . 22 LYS N 1 1 6 2540 1 1 22 LYS NZ N 12.947 -6.056 4.554 1.00 . A X . 22 LYS NZ 1 1 6 2541 1 1 22 LYS O O 18.201 -2.017 1.859 1.00 . A X . 22 LYS O 1 1 6 2542 1 1 23 LYS C C 18.318 -0.380 -1.311 1.00 . A X . 23 LYS C 1 1 6 2543 1 1 23 LYS CA C 17.773 -1.716 -0.824 1.00 . A X . 23 LYS CA 1 1 6 2544 1 1 23 LYS CB C 17.212 -2.509 -2.007 1.00 . A X . 23 LYS CB 1 1 6 2545 1 1 23 LYS CD C 17.704 -3.582 -4.243 1.00 . A X . 23 LYS CD 1 1 6 2546 1 1 23 LYS CE C 16.881 -2.619 -5.083 1.00 . A X . 23 LYS CE 1 1 6 2547 1 1 23 LYS CG C 18.285 -2.905 -3.011 1.00 . A X . 23 LYS CG 1 1 6 2548 1 1 23 LYS H H 15.864 -1.237 -0.044 1.00 . A X . 23 LYS H 1 1 6 2549 1 1 23 LYS HA H 18.585 -2.276 -0.386 1.00 . A X . 23 LYS HA 1 1 6 2550 1 1 23 LYS HB2 H 16.744 -3.409 -1.637 1.00 . A X . 23 LYS HB2 1 1 6 2551 1 1 23 LYS HB3 H 16.474 -1.908 -2.517 1.00 . A X . 23 LYS HB3 1 1 6 2552 1 1 23 LYS HD2 H 18.514 -3.965 -4.845 1.00 . A X . 23 LYS HD2 1 1 6 2553 1 1 23 LYS HD3 H 17.073 -4.400 -3.926 1.00 . A X . 23 LYS HD3 1 1 6 2554 1 1 23 LYS HE2 H 15.958 -2.404 -4.566 1.00 . A X . 23 LYS HE2 1 1 6 2555 1 1 23 LYS HE3 H 17.442 -1.705 -5.217 1.00 . A X . 23 LYS HE3 1 1 6 2556 1 1 23 LYS HG2 H 18.816 -2.019 -3.323 1.00 . A X . 23 LYS HG2 1 1 6 2557 1 1 23 LYS HG3 H 18.973 -3.587 -2.532 1.00 . A X . 23 LYS HG3 1 1 6 2558 1 1 23 LYS HZ1 H 15.926 -2.556 -6.944 1.00 . A X . 23 LYS HZ1 1 1 6 2559 1 1 23 LYS HZ2 H 16.104 -4.121 -6.315 1.00 . A X . 23 LYS HZ2 1 1 6 2560 1 1 23 LYS HZ3 H 17.442 -3.313 -6.972 1.00 . A X . 23 LYS HZ3 1 1 6 2561 1 1 23 LYS N N 16.768 -1.525 0.209 1.00 . A X . 23 LYS N 1 1 6 2562 1 1 23 LYS NZ N 16.566 -3.191 -6.419 1.00 . A X . 23 LYS NZ 1 1 6 2563 1 1 23 LYS O O 17.557 0.541 -1.619 1.00 . A X . 23 LYS O 1 1 6 2564 1 1 24 ALA C C 21.202 0.537 -3.051 1.00 . A X . 24 ALA C 1 1 6 2565 1 1 24 ALA CA C 20.294 0.910 -1.885 1.00 . A X . 24 ALA CA 1 1 6 2566 1 1 24 ALA CB C 21.085 1.600 -0.783 1.00 . A X . 24 ALA CB 1 1 6 2567 1 1 24 ALA H H 20.187 -1.027 -1.063 1.00 . A X . 24 ALA H 1 1 6 2568 1 1 24 ALA HA H 19.531 1.591 -2.234 1.00 . A X . 24 ALA HA 1 1 6 2569 1 1 24 ALA HB1 H 21.517 2.513 -1.166 1.00 . A X . 24 ALA HB1 1 1 6 2570 1 1 24 ALA HB2 H 21.873 0.946 -0.440 1.00 . A X . 24 ALA HB2 1 1 6 2571 1 1 24 ALA HB3 H 20.425 1.831 0.040 1.00 . A X . 24 ALA HB3 1 1 6 2572 1 1 24 ALA N N 19.638 -0.278 -1.370 1.00 . A X . 24 ALA N 1 1 6 2573 1 1 24 ALA O O 22.372 0.167 -2.808 1.00 . A X . 24 ALA O 1 1 6 2574 1 1 24 ALA OXT O 20.732 0.584 -4.207 1.00 . A X . 24 ALA OXT 1 1 7 2575 1 1 1 LYS C C -20.896 13.162 -5.222 1.00 . A X . 1 LYS C 1 1 7 2576 1 1 1 LYS CA C -22.234 13.754 -4.807 1.00 . A X . 1 LYS CA 1 1 7 2577 1 1 1 LYS CB C -23.022 14.137 -6.065 1.00 . A X . 1 LYS CB 1 1 7 2578 1 1 1 LYS CD C -25.303 13.525 -5.198 1.00 . A X . 1 LYS CD 1 1 7 2579 1 1 1 LYS CE C -26.728 14.002 -4.985 1.00 . A X . 1 LYS CE 1 1 7 2580 1 1 1 LYS CG C -24.434 14.621 -5.794 1.00 . A X . 1 LYS CG 1 1 7 2581 1 1 1 LYS H1 H -21.499 15.672 -4.452 1.00 . A X . 1 LYS H1 1 1 7 2582 1 1 1 LYS H2 H -21.482 14.668 -3.091 1.00 . A X . 1 LYS H2 1 1 7 2583 1 1 1 LYS H3 H -22.947 15.334 -3.633 1.00 . A X . 1 LYS H3 1 1 7 2584 1 1 1 LYS HA H -22.791 13.014 -4.251 1.00 . A X . 1 LYS HA 1 1 7 2585 1 1 1 LYS HB2 H -22.491 14.925 -6.581 1.00 . A X . 1 LYS HB2 1 1 7 2586 1 1 1 LYS HB3 H -23.080 13.274 -6.710 1.00 . A X . 1 LYS HB3 1 1 7 2587 1 1 1 LYS HD2 H -25.314 12.683 -5.873 1.00 . A X . 1 LYS HD2 1 1 7 2588 1 1 1 LYS HD3 H -24.885 13.222 -4.247 1.00 . A X . 1 LYS HD3 1 1 7 2589 1 1 1 LYS HE2 H -27.128 14.327 -5.935 1.00 . A X . 1 LYS HE2 1 1 7 2590 1 1 1 LYS HE3 H -27.316 13.178 -4.613 1.00 . A X . 1 LYS HE3 1 1 7 2591 1 1 1 LYS HG2 H -24.396 15.449 -5.102 1.00 . A X . 1 LYS HG2 1 1 7 2592 1 1 1 LYS HG3 H -24.874 14.948 -6.725 1.00 . A X . 1 LYS HG3 1 1 7 2593 1 1 1 LYS HZ1 H -27.805 15.401 -3.873 1.00 . A X . 1 LYS HZ1 1 1 7 2594 1 1 1 LYS HZ2 H -26.291 15.957 -4.389 1.00 . A X . 1 LYS HZ2 1 1 7 2595 1 1 1 LYS HZ3 H -26.396 14.852 -3.101 1.00 . A X . 1 LYS HZ3 1 1 7 2596 1 1 1 LYS N N -22.029 14.937 -3.938 1.00 . A X . 1 LYS N 1 1 7 2597 1 1 1 LYS NZ N -26.809 15.130 -4.021 1.00 . A X . 1 LYS NZ 1 1 7 2598 1 1 1 LYS O O -19.846 13.754 -4.965 1.00 . A X . 1 LYS O 1 1 7 2599 1 1 2 LYS C C -18.764 10.958 -5.346 1.00 . A X . 2 LYS C 1 1 7 2600 1 1 2 LYS CA C -19.770 11.347 -6.434 1.00 . A X . 2 LYS CA 1 1 7 2601 1 1 2 LYS CB C -19.121 12.270 -7.480 1.00 . A X . 2 LYS CB 1 1 7 2602 1 1 2 LYS CD C -17.628 12.519 -9.488 1.00 . A X . 2 LYS CD 1 1 7 2603 1 1 2 LYS CE C -16.719 11.817 -10.484 1.00 . A X . 2 LYS CE 1 1 7 2604 1 1 2 LYS CG C -18.130 11.574 -8.405 1.00 . A X . 2 LYS CG 1 1 7 2605 1 1 2 LYS H H -21.823 11.540 -5.947 1.00 . A X . 2 LYS H 1 1 7 2606 1 1 2 LYS HA H -20.103 10.448 -6.931 1.00 . A X . 2 LYS HA 1 1 7 2607 1 1 2 LYS HB2 H -19.898 12.705 -8.088 1.00 . A X . 2 LYS HB2 1 1 7 2608 1 1 2 LYS HB3 H -18.597 13.062 -6.964 1.00 . A X . 2 LYS HB3 1 1 7 2609 1 1 2 LYS HD2 H -18.477 12.924 -10.018 1.00 . A X . 2 LYS HD2 1 1 7 2610 1 1 2 LYS HD3 H -17.080 13.323 -9.020 1.00 . A X . 2 LYS HD3 1 1 7 2611 1 1 2 LYS HE2 H -16.418 12.526 -11.241 1.00 . A X . 2 LYS HE2 1 1 7 2612 1 1 2 LYS HE3 H -15.844 11.458 -9.962 1.00 . A X . 2 LYS HE3 1 1 7 2613 1 1 2 LYS HG2 H -17.291 11.230 -7.820 1.00 . A X . 2 LYS HG2 1 1 7 2614 1 1 2 LYS HG3 H -18.617 10.732 -8.871 1.00 . A X . 2 LYS HG3 1 1 7 2615 1 1 2 LYS HZ1 H -18.387 10.906 -11.361 1.00 . A X . 2 LYS HZ1 1 1 7 2616 1 1 2 LYS HZ2 H -17.373 9.834 -10.518 1.00 . A X . 2 LYS HZ2 1 1 7 2617 1 1 2 LYS HZ3 H -16.904 10.430 -12.036 1.00 . A X . 2 LYS HZ3 1 1 7 2618 1 1 2 LYS N N -20.948 11.994 -5.861 1.00 . A X . 2 LYS N 1 1 7 2619 1 1 2 LYS NZ N -17.393 10.668 -11.143 1.00 . A X . 2 LYS NZ 1 1 7 2620 1 1 2 LYS O O -17.552 11.116 -5.510 1.00 . A X . 2 LYS O 1 1 7 2621 1 1 3 LEU C C -17.885 8.571 -3.493 1.00 . A X . 3 LEU C 1 1 7 2622 1 1 3 LEU CA C -18.426 9.955 -3.154 1.00 . A X . 3 LEU CA 1 1 7 2623 1 1 3 LEU CB C -19.192 9.920 -1.828 1.00 . A X . 3 LEU CB 1 1 7 2624 1 1 3 LEU CD1 C -20.387 11.136 0.011 1.00 . A X . 3 LEU CD1 1 1 7 2625 1 1 3 LEU CD2 C -18.328 12.121 -0.998 1.00 . A X . 3 LEU CD2 1 1 7 2626 1 1 3 LEU CG C -19.574 11.290 -1.263 1.00 . A X . 3 LEU CG 1 1 7 2627 1 1 3 LEU H H -20.256 10.392 -4.134 1.00 . A X . 3 LEU H 1 1 7 2628 1 1 3 LEU HA H -17.592 10.637 -3.058 1.00 . A X . 3 LEU HA 1 1 7 2629 1 1 3 LEU HB2 H -20.099 9.351 -1.976 1.00 . A X . 3 LEU HB2 1 1 7 2630 1 1 3 LEU HB3 H -18.582 9.410 -1.096 1.00 . A X . 3 LEU HB3 1 1 7 2631 1 1 3 LEU HD11 H -21.286 10.579 -0.202 1.00 . A X . 3 LEU HD11 1 1 7 2632 1 1 3 LEU HD12 H -20.649 12.114 0.390 1.00 . A X . 3 LEU HD12 1 1 7 2633 1 1 3 LEU HD13 H -19.803 10.609 0.749 1.00 . A X . 3 LEU HD13 1 1 7 2634 1 1 3 LEU HD21 H -17.712 11.623 -0.264 1.00 . A X . 3 LEU HD21 1 1 7 2635 1 1 3 LEU HD22 H -18.618 13.092 -0.625 1.00 . A X . 3 LEU HD22 1 1 7 2636 1 1 3 LEU HD23 H -17.771 12.240 -1.917 1.00 . A X . 3 LEU HD23 1 1 7 2637 1 1 3 LEU HG H -20.181 11.814 -1.985 1.00 . A X . 3 LEU HG 1 1 7 2638 1 1 3 LEU N N -19.276 10.444 -4.233 1.00 . A X . 3 LEU N 1 1 7 2639 1 1 3 LEU O O -18.315 7.560 -2.936 1.00 . A X . 3 LEU O 1 1 7 2640 1 1 4 LYS C C -14.810 7.414 -4.777 1.00 . A X . 4 LYS C 1 1 7 2641 1 1 4 LYS CA C -16.334 7.309 -4.889 1.00 . A X . 4 LYS CA 1 1 7 2642 1 1 4 LYS CB C -16.769 7.048 -6.339 1.00 . A X . 4 LYS CB 1 1 7 2643 1 1 4 LYS CD C -16.630 4.528 -6.174 1.00 . A X . 4 LYS CD 1 1 7 2644 1 1 4 LYS CE C -16.210 3.257 -6.897 1.00 . A X . 4 LYS CE 1 1 7 2645 1 1 4 LYS CG C -16.227 5.766 -6.960 1.00 . A X . 4 LYS CG 1 1 7 2646 1 1 4 LYS H H -16.660 9.393 -4.828 1.00 . A X . 4 LYS H 1 1 7 2647 1 1 4 LYS HA H -16.683 6.503 -4.262 1.00 . A X . 4 LYS HA 1 1 7 2648 1 1 4 LYS HB2 H -17.846 7.004 -6.374 1.00 . A X . 4 LYS HB2 1 1 7 2649 1 1 4 LYS HB3 H -16.439 7.876 -6.948 1.00 . A X . 4 LYS HB3 1 1 7 2650 1 1 4 LYS HD2 H -16.150 4.555 -5.208 1.00 . A X . 4 LYS HD2 1 1 7 2651 1 1 4 LYS HD3 H -17.703 4.523 -6.048 1.00 . A X . 4 LYS HD3 1 1 7 2652 1 1 4 LYS HE2 H -16.482 2.409 -6.286 1.00 . A X . 4 LYS HE2 1 1 7 2653 1 1 4 LYS HE3 H -16.734 3.204 -7.840 1.00 . A X . 4 LYS HE3 1 1 7 2654 1 1 4 LYS HG2 H -16.609 5.677 -7.967 1.00 . A X . 4 LYS HG2 1 1 7 2655 1 1 4 LYS HG3 H -15.148 5.826 -6.989 1.00 . A X . 4 LYS HG3 1 1 7 2656 1 1 4 LYS HZ1 H -14.517 2.433 -7.805 1.00 . A X . 4 LYS HZ1 1 1 7 2657 1 1 4 LYS HZ2 H -14.225 3.061 -6.258 1.00 . A X . 4 LYS HZ2 1 1 7 2658 1 1 4 LYS HZ3 H -14.420 4.109 -7.575 1.00 . A X . 4 LYS HZ3 1 1 7 2659 1 1 4 LYS N N -16.946 8.544 -4.426 1.00 . A X . 4 LYS N 1 1 7 2660 1 1 4 LYS NZ N -14.743 3.214 -7.151 1.00 . A X . 4 LYS NZ 1 1 7 2661 1 1 4 LYS O O -14.072 6.479 -5.096 1.00 . A X . 4 LYS O 1 1 7 2662 1 1 5 LEU C C -12.387 8.506 -2.812 1.00 . A X . 5 LEU C 1 1 7 2663 1 1 5 LEU CA C -12.925 8.834 -4.201 1.00 . A X . 5 LEU CA 1 1 7 2664 1 1 5 LEU CB C -12.671 10.307 -4.528 1.00 . A X . 5 LEU CB 1 1 7 2665 1 1 5 LEU CD1 C -12.988 12.271 -6.058 1.00 . A X . 5 LEU CD1 1 1 7 2666 1 1 5 LEU CD2 C -12.764 9.977 -7.011 1.00 . A X . 5 LEU CD2 1 1 7 2667 1 1 5 LEU CG C -13.284 10.796 -5.843 1.00 . A X . 5 LEU CG 1 1 7 2668 1 1 5 LEU H H -14.986 9.211 -3.925 1.00 . A X . 5 LEU H 1 1 7 2669 1 1 5 LEU HA H -12.421 8.217 -4.929 1.00 . A X . 5 LEU HA 1 1 7 2670 1 1 5 LEU HB2 H -13.071 10.901 -3.722 1.00 . A X . 5 LEU HB2 1 1 7 2671 1 1 5 LEU HB3 H -11.605 10.464 -4.574 1.00 . A X . 5 LEU HB3 1 1 7 2672 1 1 5 LEU HD11 H -13.421 12.847 -5.254 1.00 . A X . 5 LEU HD11 1 1 7 2673 1 1 5 LEU HD12 H -13.411 12.590 -6.998 1.00 . A X . 5 LEU HD12 1 1 7 2674 1 1 5 LEU HD13 H -11.917 12.424 -6.075 1.00 . A X . 5 LEU HD13 1 1 7 2675 1 1 5 LEU HD21 H -13.039 8.943 -6.876 1.00 . A X . 5 LEU HD21 1 1 7 2676 1 1 5 LEU HD22 H -11.687 10.060 -7.058 1.00 . A X . 5 LEU HD22 1 1 7 2677 1 1 5 LEU HD23 H -13.192 10.350 -7.932 1.00 . A X . 5 LEU HD23 1 1 7 2678 1 1 5 LEU HG H -14.358 10.673 -5.798 1.00 . A X . 5 LEU HG 1 1 7 2679 1 1 5 LEU N N -14.349 8.549 -4.277 1.00 . A X . 5 LEU N 1 1 7 2680 1 1 5 LEU O O -12.000 9.399 -2.058 1.00 . A X . 5 LEU O 1 1 7 2681 1 1 6 ALA C C -10.375 6.534 -1.227 1.00 . A X . 6 ALA C 1 1 7 2682 1 1 6 ALA CA C -11.883 6.763 -1.183 1.00 . A X . 6 ALA CA 1 1 7 2683 1 1 6 ALA CB C -12.601 5.492 -0.765 1.00 . A X . 6 ALA CB 1 1 7 2684 1 1 6 ALA H H -12.719 6.564 -3.116 1.00 . A X . 6 ALA H 1 1 7 2685 1 1 6 ALA HA H -12.101 7.530 -0.453 1.00 . A X . 6 ALA HA 1 1 7 2686 1 1 6 ALA HB1 H -13.660 5.684 -0.691 1.00 . A X . 6 ALA HB1 1 1 7 2687 1 1 6 ALA HB2 H -12.225 5.169 0.196 1.00 . A X . 6 ALA HB2 1 1 7 2688 1 1 6 ALA HB3 H -12.423 4.721 -1.497 1.00 . A X . 6 ALA HB3 1 1 7 2689 1 1 6 ALA N N -12.380 7.222 -2.477 1.00 . A X . 6 ALA N 1 1 7 2690 1 1 6 ALA O O -9.902 5.551 -1.797 1.00 . A X . 6 ALA O 1 1 7 2691 1 1 7 PRO C C -7.589 6.169 0.120 1.00 . A X . 7 PRO C 1 1 7 2692 1 1 7 PRO CA C -8.132 7.380 -0.628 1.00 . A X . 7 PRO CA 1 1 7 2693 1 1 7 PRO CB C -7.700 8.677 0.072 1.00 . A X . 7 PRO CB 1 1 7 2694 1 1 7 PRO CD C -10.080 8.599 0.151 1.00 . A X . 7 PRO CD 1 1 7 2695 1 1 7 PRO CG C -8.916 9.541 0.087 1.00 . A X . 7 PRO CG 1 1 7 2696 1 1 7 PRO HA H -7.750 7.367 -1.635 1.00 . A X . 7 PRO HA 1 1 7 2697 1 1 7 PRO HB2 H -7.361 8.454 1.075 1.00 . A X . 7 PRO HB2 1 1 7 2698 1 1 7 PRO HB3 H -6.900 9.136 -0.486 1.00 . A X . 7 PRO HB3 1 1 7 2699 1 1 7 PRO HD2 H -10.292 8.327 1.176 1.00 . A X . 7 PRO HD2 1 1 7 2700 1 1 7 PRO HD3 H -10.951 9.032 -0.319 1.00 . A X . 7 PRO HD3 1 1 7 2701 1 1 7 PRO HG2 H -8.902 10.182 0.956 1.00 . A X . 7 PRO HG2 1 1 7 2702 1 1 7 PRO HG3 H -8.959 10.131 -0.818 1.00 . A X . 7 PRO HG3 1 1 7 2703 1 1 7 PRO N N -9.598 7.440 -0.611 1.00 . A X . 7 PRO N 1 1 7 2704 1 1 7 PRO O O -6.496 5.695 -0.169 1.00 . A X . 7 PRO O 1 1 7 2705 1 1 8 ALA C C -7.719 3.270 1.055 1.00 . A X . 8 ALA C 1 1 7 2706 1 1 8 ALA CA C -7.957 4.530 1.890 1.00 . A X . 8 ALA CA 1 1 7 2707 1 1 8 ALA CB C -8.992 4.266 2.974 1.00 . A X . 8 ALA CB 1 1 7 2708 1 1 8 ALA H H -9.264 6.047 1.199 1.00 . A X . 8 ALA H 1 1 7 2709 1 1 8 ALA HA H -7.031 4.806 2.373 1.00 . A X . 8 ALA HA 1 1 7 2710 1 1 8 ALA HB1 H -8.637 3.483 3.628 1.00 . A X . 8 ALA HB1 1 1 7 2711 1 1 8 ALA HB2 H -9.922 3.959 2.518 1.00 . A X . 8 ALA HB2 1 1 7 2712 1 1 8 ALA HB3 H -9.153 5.168 3.548 1.00 . A X . 8 ALA HB3 1 1 7 2713 1 1 8 ALA N N -8.378 5.656 1.060 1.00 . A X . 8 ALA N 1 1 7 2714 1 1 8 ALA O O -6.875 2.442 1.391 1.00 . A X . 8 ALA O 1 1 7 2715 1 1 9 LYS C C -7.186 2.161 -1.917 1.00 . A X . 9 LYS C 1 1 7 2716 1 1 9 LYS CA C -8.310 1.968 -0.904 1.00 . A X . 9 LYS CA 1 1 7 2717 1 1 9 LYS CB C -9.626 1.673 -1.624 1.00 . A X . 9 LYS CB 1 1 7 2718 1 1 9 LYS CD C -10.286 -0.347 -0.281 1.00 . A X . 9 LYS CD 1 1 7 2719 1 1 9 LYS CE C -11.332 -0.975 0.626 1.00 . A X . 9 LYS CE 1 1 7 2720 1 1 9 LYS CG C -10.684 1.056 -0.722 1.00 . A X . 9 LYS CG 1 1 7 2721 1 1 9 LYS H H -9.096 3.834 -0.283 1.00 . A X . 9 LYS H 1 1 7 2722 1 1 9 LYS HA H -8.063 1.126 -0.273 1.00 . A X . 9 LYS HA 1 1 7 2723 1 1 9 LYS HB2 H -10.019 2.597 -2.024 1.00 . A X . 9 LYS HB2 1 1 7 2724 1 1 9 LYS HB3 H -9.434 0.991 -2.438 1.00 . A X . 9 LYS HB3 1 1 7 2725 1 1 9 LYS HD2 H -10.164 -0.967 -1.155 1.00 . A X . 9 LYS HD2 1 1 7 2726 1 1 9 LYS HD3 H -9.348 -0.290 0.254 1.00 . A X . 9 LYS HD3 1 1 7 2727 1 1 9 LYS HE2 H -12.300 -0.885 0.156 1.00 . A X . 9 LYS HE2 1 1 7 2728 1 1 9 LYS HE3 H -11.093 -2.022 0.756 1.00 . A X . 9 LYS HE3 1 1 7 2729 1 1 9 LYS HG2 H -10.802 1.678 0.153 1.00 . A X . 9 LYS HG2 1 1 7 2730 1 1 9 LYS HG3 H -11.620 1.004 -1.261 1.00 . A X . 9 LYS HG3 1 1 7 2731 1 1 9 LYS HZ1 H -12.176 -0.711 2.521 1.00 . A X . 9 LYS HZ1 1 1 7 2732 1 1 9 LYS HZ2 H -11.512 0.706 1.862 1.00 . A X . 9 LYS HZ2 1 1 7 2733 1 1 9 LYS HZ3 H -10.495 -0.502 2.480 1.00 . A X . 9 LYS HZ3 1 1 7 2734 1 1 9 LYS N N -8.450 3.136 -0.044 1.00 . A X . 9 LYS N 1 1 7 2735 1 1 9 LYS NZ N -11.383 -0.325 1.963 1.00 . A X . 9 LYS NZ 1 1 7 2736 1 1 9 LYS O O -6.718 1.203 -2.528 1.00 . A X . 9 LYS O 1 1 7 2737 1 1 10 LEU C C -4.349 3.867 -2.336 1.00 . A X . 10 LEU C 1 1 7 2738 1 1 10 LEU CA C -5.692 3.704 -3.040 1.00 . A X . 10 LEU CA 1 1 7 2739 1 1 10 LEU CB C -6.046 4.967 -3.826 1.00 . A X . 10 LEU CB 1 1 7 2740 1 1 10 LEU CD1 C -7.617 6.200 -5.343 1.00 . A X . 10 LEU CD1 1 1 7 2741 1 1 10 LEU CD2 C -7.238 3.755 -5.674 1.00 . A X . 10 LEU CD2 1 1 7 2742 1 1 10 LEU CG C -7.335 4.877 -4.650 1.00 . A X . 10 LEU CG 1 1 7 2743 1 1 10 LEU H H -7.140 4.124 -1.557 1.00 . A X . 10 LEU H 1 1 7 2744 1 1 10 LEU HA H -5.621 2.873 -3.728 1.00 . A X . 10 LEU HA 1 1 7 2745 1 1 10 LEU HB2 H -6.142 5.787 -3.128 1.00 . A X . 10 LEU HB2 1 1 7 2746 1 1 10 LEU HB3 H -5.230 5.187 -4.501 1.00 . A X . 10 LEU HB3 1 1 7 2747 1 1 10 LEU HD11 H -8.515 6.113 -5.937 1.00 . A X . 10 LEU HD11 1 1 7 2748 1 1 10 LEU HD12 H -6.784 6.454 -5.983 1.00 . A X . 10 LEU HD12 1 1 7 2749 1 1 10 LEU HD13 H -7.748 6.974 -4.602 1.00 . A X . 10 LEU HD13 1 1 7 2750 1 1 10 LEU HD21 H -7.053 2.819 -5.167 1.00 . A X . 10 LEU HD21 1 1 7 2751 1 1 10 LEU HD22 H -6.427 3.961 -6.358 1.00 . A X . 10 LEU HD22 1 1 7 2752 1 1 10 LEU HD23 H -8.164 3.690 -6.224 1.00 . A X . 10 LEU HD23 1 1 7 2753 1 1 10 LEU HG H -8.166 4.659 -3.991 1.00 . A X . 10 LEU HG 1 1 7 2754 1 1 10 LEU N N -6.746 3.398 -2.084 1.00 . A X . 10 LEU N 1 1 7 2755 1 1 10 LEU O O -3.289 3.793 -2.965 1.00 . A X . 10 LEU O 1 1 7 2756 1 1 11 ALA C C -2.561 2.842 0.057 1.00 . A X . 11 ALA C 1 1 7 2757 1 1 11 ALA CA C -3.194 4.205 -0.221 1.00 . A X . 11 ALA CA 1 1 7 2758 1 1 11 ALA CB C -3.508 4.915 1.081 1.00 . A X . 11 ALA CB 1 1 7 2759 1 1 11 ALA H H -5.275 4.157 -0.590 1.00 . A X . 11 ALA H 1 1 7 2760 1 1 11 ALA HA H -2.490 4.812 -0.773 1.00 . A X . 11 ALA HA 1 1 7 2761 1 1 11 ALA HB1 H -3.978 5.863 0.871 1.00 . A X . 11 ALA HB1 1 1 7 2762 1 1 11 ALA HB2 H -2.592 5.080 1.628 1.00 . A X . 11 ALA HB2 1 1 7 2763 1 1 11 ALA HB3 H -4.175 4.303 1.670 1.00 . A X . 11 ALA HB3 1 1 7 2764 1 1 11 ALA N N -4.399 4.072 -1.026 1.00 . A X . 11 ALA N 1 1 7 2765 1 1 11 ALA O O -2.511 2.385 1.200 1.00 . A X . 11 ALA O 1 1 7 2766 1 1 12 LEU C C -0.059 0.972 -1.563 1.00 . A X . 12 LEU C 1 1 7 2767 1 1 12 LEU CA C -1.422 0.910 -0.890 1.00 . A X . 12 LEU CA 1 1 7 2768 1 1 12 LEU CB C -2.263 -0.198 -1.526 1.00 . A X . 12 LEU CB 1 1 7 2769 1 1 12 LEU CD1 C -4.363 -1.568 -1.584 1.00 . A X . 12 LEU CD1 1 1 7 2770 1 1 12 LEU CD2 C -3.336 -0.954 0.613 1.00 . A X . 12 LEU CD2 1 1 7 2771 1 1 12 LEU CG C -3.587 -0.504 -0.821 1.00 . A X . 12 LEU CG 1 1 7 2772 1 1 12 LEU H H -2.207 2.601 -1.887 1.00 . A X . 12 LEU H 1 1 7 2773 1 1 12 LEU HA H -1.287 0.694 0.160 1.00 . A X . 12 LEU HA 1 1 7 2774 1 1 12 LEU HB2 H -2.480 0.086 -2.547 1.00 . A X . 12 LEU HB2 1 1 7 2775 1 1 12 LEU HB3 H -1.673 -1.103 -1.542 1.00 . A X . 12 LEU HB3 1 1 7 2776 1 1 12 LEU HD11 H -3.789 -2.482 -1.616 1.00 . A X . 12 LEU HD11 1 1 7 2777 1 1 12 LEU HD12 H -4.548 -1.225 -2.593 1.00 . A X . 12 LEU HD12 1 1 7 2778 1 1 12 LEU HD13 H -5.306 -1.752 -1.090 1.00 . A X . 12 LEU HD13 1 1 7 2779 1 1 12 LEU HD21 H -2.720 -1.843 0.610 1.00 . A X . 12 LEU HD21 1 1 7 2780 1 1 12 LEU HD22 H -4.277 -1.172 1.095 1.00 . A X . 12 LEU HD22 1 1 7 2781 1 1 12 LEU HD23 H -2.830 -0.168 1.153 1.00 . A X . 12 LEU HD23 1 1 7 2782 1 1 12 LEU HG H -4.190 0.393 -0.792 1.00 . A X . 12 LEU HG 1 1 7 2783 1 1 12 LEU N N -2.093 2.198 -1.001 1.00 . A X . 12 LEU N 1 1 7 2784 1 1 12 LEU O O 0.428 -0.020 -2.101 1.00 . A X . 12 LEU O 1 1 7 2785 1 1 13 LEU C C 2.970 1.931 -1.219 1.00 . A X . 13 LEU C 1 1 7 2786 1 1 13 LEU CA C 1.846 2.359 -2.160 1.00 . A X . 13 LEU CA 1 1 7 2787 1 1 13 LEU CB C 1.997 3.832 -2.555 1.00 . A X . 13 LEU CB 1 1 7 2788 1 1 13 LEU CD1 C 3.129 3.440 -4.757 1.00 . A X . 13 LEU CD1 1 1 7 2789 1 1 13 LEU CD2 C 3.315 5.668 -3.633 1.00 . A X . 13 LEU CD2 1 1 7 2790 1 1 13 LEU CG C 3.214 4.166 -3.422 1.00 . A X . 13 LEU CG 1 1 7 2791 1 1 13 LEU H H 0.133 2.884 -1.044 1.00 . A X . 13 LEU H 1 1 7 2792 1 1 13 LEU HA H 1.884 1.748 -3.048 1.00 . A X . 13 LEU HA 1 1 7 2793 1 1 13 LEU HB2 H 1.110 4.126 -3.096 1.00 . A X . 13 LEU HB2 1 1 7 2794 1 1 13 LEU HB3 H 2.056 4.420 -1.651 1.00 . A X . 13 LEU HB3 1 1 7 2795 1 1 13 LEU HD11 H 3.979 3.707 -5.366 1.00 . A X . 13 LEU HD11 1 1 7 2796 1 1 13 LEU HD12 H 2.217 3.722 -5.263 1.00 . A X . 13 LEU HD12 1 1 7 2797 1 1 13 LEU HD13 H 3.131 2.372 -4.587 1.00 . A X . 13 LEU HD13 1 1 7 2798 1 1 13 LEU HD21 H 2.435 6.019 -4.151 1.00 . A X . 13 LEU HD21 1 1 7 2799 1 1 13 LEU HD22 H 4.193 5.895 -4.218 1.00 . A X . 13 LEU HD22 1 1 7 2800 1 1 13 LEU HD23 H 3.386 6.162 -2.674 1.00 . A X . 13 LEU HD23 1 1 7 2801 1 1 13 LEU HG H 4.112 3.836 -2.918 1.00 . A X . 13 LEU HG 1 1 7 2802 1 1 13 LEU N N 0.555 2.145 -1.523 1.00 . A X . 13 LEU N 1 1 7 2803 1 1 13 LEU O O 3.840 2.723 -0.854 1.00 . A X . 13 LEU O 1 1 7 2804 1 1 14 TRP C C 5.102 -0.463 -0.627 1.00 . A X . 14 TRP C 1 1 7 2805 1 1 14 TRP CA C 3.914 0.139 0.116 1.00 . A X . 14 TRP CA 1 1 7 2806 1 1 14 TRP CB C 3.266 -0.903 1.029 1.00 . A X . 14 TRP CB 1 1 7 2807 1 1 14 TRP CD1 C 0.776 -0.776 1.618 1.00 . A X . 14 TRP CD1 1 1 7 2808 1 1 14 TRP CD2 C 2.064 0.652 2.766 1.00 . A X . 14 TRP CD2 1 1 7 2809 1 1 14 TRP CE2 C 0.729 0.822 3.176 1.00 . A X . 14 TRP CE2 1 1 7 2810 1 1 14 TRP CE3 C 3.055 1.446 3.349 1.00 . A X . 14 TRP CE3 1 1 7 2811 1 1 14 TRP CG C 2.074 -0.379 1.770 1.00 . A X . 14 TRP CG 1 1 7 2812 1 1 14 TRP CH2 C 1.348 2.515 4.700 1.00 . A X . 14 TRP CH2 1 1 7 2813 1 1 14 TRP CZ2 C 0.359 1.753 4.145 1.00 . A X . 14 TRP CZ2 1 1 7 2814 1 1 14 TRP CZ3 C 2.687 2.369 4.313 1.00 . A X . 14 TRP CZ3 1 1 7 2815 1 1 14 TRP H H 2.229 0.081 -1.164 1.00 . A X . 14 TRP H 1 1 7 2816 1 1 14 TRP HA H 4.265 0.961 0.721 1.00 . A X . 14 TRP HA 1 1 7 2817 1 1 14 TRP HB2 H 2.946 -1.744 0.431 1.00 . A X . 14 TRP HB2 1 1 7 2818 1 1 14 TRP HB3 H 3.991 -1.238 1.756 1.00 . A X . 14 TRP HB3 1 1 7 2819 1 1 14 TRP HD1 H 0.450 -1.543 0.931 1.00 . A X . 14 TRP HD1 1 1 7 2820 1 1 14 TRP HE1 H -1.014 -0.171 2.544 1.00 . A X . 14 TRP HE1 1 1 7 2821 1 1 14 TRP HE3 H 4.090 1.347 3.066 1.00 . A X . 14 TRP HE3 1 1 7 2822 1 1 14 TRP HH2 H 1.108 3.248 5.454 1.00 . A X . 14 TRP HH2 1 1 7 2823 1 1 14 TRP HZ2 H -0.670 1.874 4.454 1.00 . A X . 14 TRP HZ2 1 1 7 2824 1 1 14 TRP HZ3 H 3.436 2.992 4.776 1.00 . A X . 14 TRP HZ3 1 1 7 2825 1 1 14 TRP N N 2.935 0.671 -0.819 1.00 . A X . 14 TRP N 1 1 7 2826 1 1 14 TRP NE1 N -0.039 -0.062 2.464 1.00 . A X . 14 TRP NE1 1 1 7 2827 1 1 14 TRP O O 6.239 -0.401 -0.152 1.00 . A X . 14 TRP O 1 1 7 2828 1 1 15 LYS C C 6.706 -0.570 -3.365 1.00 . A X . 15 LYS C 1 1 7 2829 1 1 15 LYS CA C 5.901 -1.627 -2.621 1.00 . A X . 15 LYS CA 1 1 7 2830 1 1 15 LYS CB C 5.321 -2.641 -3.608 1.00 . A X . 15 LYS CB 1 1 7 2831 1 1 15 LYS CD C 4.374 -4.931 -3.983 1.00 . A X . 15 LYS CD 1 1 7 2832 1 1 15 LYS CE C 3.954 -6.236 -3.330 1.00 . A X . 15 LYS CE 1 1 7 2833 1 1 15 LYS CG C 4.767 -3.890 -2.947 1.00 . A X . 15 LYS CG 1 1 7 2834 1 1 15 LYS H H 3.924 -0.997 -2.165 1.00 . A X . 15 LYS H 1 1 7 2835 1 1 15 LYS HA H 6.564 -2.144 -1.943 1.00 . A X . 15 LYS HA 1 1 7 2836 1 1 15 LYS HB2 H 4.523 -2.170 -4.161 1.00 . A X . 15 LYS HB2 1 1 7 2837 1 1 15 LYS HB3 H 6.099 -2.938 -4.297 1.00 . A X . 15 LYS HB3 1 1 7 2838 1 1 15 LYS HD2 H 3.549 -4.552 -4.566 1.00 . A X . 15 LYS HD2 1 1 7 2839 1 1 15 LYS HD3 H 5.219 -5.118 -4.629 1.00 . A X . 15 LYS HD3 1 1 7 2840 1 1 15 LYS HE2 H 3.081 -6.054 -2.720 1.00 . A X . 15 LYS HE2 1 1 7 2841 1 1 15 LYS HE3 H 3.709 -6.947 -4.104 1.00 . A X . 15 LYS HE3 1 1 7 2842 1 1 15 LYS HG2 H 5.522 -4.307 -2.297 1.00 . A X . 15 LYS HG2 1 1 7 2843 1 1 15 LYS HG3 H 3.896 -3.623 -2.367 1.00 . A X . 15 LYS HG3 1 1 7 2844 1 1 15 LYS HZ1 H 5.937 -6.812 -2.993 1.00 . A X . 15 LYS HZ1 1 1 7 2845 1 1 15 LYS HZ2 H 4.794 -7.774 -2.194 1.00 . A X . 15 LYS HZ2 1 1 7 2846 1 1 15 LYS HZ3 H 5.147 -6.222 -1.610 1.00 . A X . 15 LYS HZ3 1 1 7 2847 1 1 15 LYS N N 4.847 -1.013 -1.815 1.00 . A X . 15 LYS N 1 1 7 2848 1 1 15 LYS NZ N 5.032 -6.799 -2.474 1.00 . A X . 15 LYS NZ 1 1 7 2849 1 1 15 LYS O O 6.896 -0.644 -4.579 1.00 . A X . 15 LYS O 1 1 7 2850 1 1 16 ALA C C 8.859 2.024 -2.010 1.00 . A X . 16 ALA C 1 1 7 2851 1 1 16 ALA CA C 8.008 1.466 -3.137 1.00 . A X . 16 ALA CA 1 1 7 2852 1 1 16 ALA CB C 7.155 2.559 -3.765 1.00 . A X . 16 ALA CB 1 1 7 2853 1 1 16 ALA H H 6.946 0.409 -1.660 1.00 . A X . 16 ALA H 1 1 7 2854 1 1 16 ALA HA H 8.650 1.048 -3.899 1.00 . A X . 16 ALA HA 1 1 7 2855 1 1 16 ALA HB1 H 6.560 2.136 -4.560 1.00 . A X . 16 ALA HB1 1 1 7 2856 1 1 16 ALA HB2 H 7.795 3.331 -4.166 1.00 . A X . 16 ALA HB2 1 1 7 2857 1 1 16 ALA HB3 H 6.503 2.984 -3.016 1.00 . A X . 16 ALA HB3 1 1 7 2858 1 1 16 ALA N N 7.173 0.406 -2.614 1.00 . A X . 16 ALA N 1 1 7 2859 1 1 16 ALA O O 10.081 1.915 -2.026 1.00 . A X . 16 ALA O 1 1 7 2860 1 1 17 LEU C C 9.726 2.085 0.856 1.00 . A X . 17 LEU C 1 1 7 2861 1 1 17 LEU CA C 8.856 3.136 0.166 1.00 . A X . 17 LEU CA 1 1 7 2862 1 1 17 LEU CB C 7.808 3.676 1.141 1.00 . A X . 17 LEU CB 1 1 7 2863 1 1 17 LEU CD1 C 9.122 5.651 1.947 1.00 . A X . 17 LEU CD1 1 1 7 2864 1 1 17 LEU CD2 C 7.236 4.757 3.328 1.00 . A X . 17 LEU CD2 1 1 7 2865 1 1 17 LEU CG C 8.362 4.402 2.367 1.00 . A X . 17 LEU CG 1 1 7 2866 1 1 17 LEU H H 7.210 2.620 -1.058 1.00 . A X . 17 LEU H 1 1 7 2867 1 1 17 LEU HA H 9.483 3.951 -0.163 1.00 . A X . 17 LEU HA 1 1 7 2868 1 1 17 LEU HB2 H 7.168 4.362 0.604 1.00 . A X . 17 LEU HB2 1 1 7 2869 1 1 17 LEU HB3 H 7.206 2.847 1.485 1.00 . A X . 17 LEU HB3 1 1 7 2870 1 1 17 LEU HD11 H 8.470 6.297 1.379 1.00 . A X . 17 LEU HD11 1 1 7 2871 1 1 17 LEU HD12 H 9.969 5.370 1.340 1.00 . A X . 17 LEU HD12 1 1 7 2872 1 1 17 LEU HD13 H 9.467 6.174 2.827 1.00 . A X . 17 LEU HD13 1 1 7 2873 1 1 17 LEU HD21 H 6.528 5.401 2.830 1.00 . A X . 17 LEU HD21 1 1 7 2874 1 1 17 LEU HD22 H 7.644 5.267 4.189 1.00 . A X . 17 LEU HD22 1 1 7 2875 1 1 17 LEU HD23 H 6.738 3.853 3.648 1.00 . A X . 17 LEU HD23 1 1 7 2876 1 1 17 LEU HG H 9.051 3.749 2.883 1.00 . A X . 17 LEU HG 1 1 7 2877 1 1 17 LEU N N 8.189 2.576 -1.005 1.00 . A X . 17 LEU N 1 1 7 2878 1 1 17 LEU O O 10.870 2.356 1.223 1.00 . A X . 17 LEU O 1 1 7 2879 1 1 18 ALA C C 11.157 -0.573 0.859 1.00 . A X . 18 ALA C 1 1 7 2880 1 1 18 ALA CA C 9.904 -0.212 1.649 1.00 . A X . 18 ALA CA 1 1 7 2881 1 1 18 ALA CB C 9.003 -1.430 1.787 1.00 . A X . 18 ALA CB 1 1 7 2882 1 1 18 ALA H H 8.268 0.727 0.693 1.00 . A X . 18 ALA H 1 1 7 2883 1 1 18 ALA HA H 10.193 0.110 2.638 1.00 . A X . 18 ALA HA 1 1 7 2884 1 1 18 ALA HB1 H 9.535 -2.211 2.310 1.00 . A X . 18 ALA HB1 1 1 7 2885 1 1 18 ALA HB2 H 8.720 -1.783 0.806 1.00 . A X . 18 ALA HB2 1 1 7 2886 1 1 18 ALA HB3 H 8.117 -1.161 2.343 1.00 . A X . 18 ALA HB3 1 1 7 2887 1 1 18 ALA N N 9.181 0.882 1.012 1.00 . A X . 18 ALA N 1 1 7 2888 1 1 18 ALA O O 12.224 -0.799 1.430 1.00 . A X . 18 ALA O 1 1 7 2889 1 1 19 LEU C C 13.164 0.144 -1.424 1.00 . A X . 19 LEU C 1 1 7 2890 1 1 19 LEU CA C 12.120 -0.966 -1.341 1.00 . A X . 19 LEU CA 1 1 7 2891 1 1 19 LEU CB C 11.586 -1.292 -2.737 1.00 . A X . 19 LEU CB 1 1 7 2892 1 1 19 LEU CD1 C 10.076 -2.645 -4.219 1.00 . A X . 19 LEU CD1 1 1 7 2893 1 1 19 LEU CD2 C 11.134 -3.707 -2.218 1.00 . A X . 19 LEU CD2 1 1 7 2894 1 1 19 LEU CG C 10.553 -2.421 -2.792 1.00 . A X . 19 LEU CG 1 1 7 2895 1 1 19 LEU H H 10.164 -0.335 -0.855 1.00 . A X . 19 LEU H 1 1 7 2896 1 1 19 LEU HA H 12.584 -1.850 -0.929 1.00 . A X . 19 LEU HA 1 1 7 2897 1 1 19 LEU HB2 H 11.136 -0.399 -3.144 1.00 . A X . 19 LEU HB2 1 1 7 2898 1 1 19 LEU HB3 H 12.422 -1.569 -3.363 1.00 . A X . 19 LEU HB3 1 1 7 2899 1 1 19 LEU HD11 H 9.342 -3.436 -4.233 1.00 . A X . 19 LEU HD11 1 1 7 2900 1 1 19 LEU HD12 H 10.914 -2.919 -4.843 1.00 . A X . 19 LEU HD12 1 1 7 2901 1 1 19 LEU HD13 H 9.631 -1.735 -4.595 1.00 . A X . 19 LEU HD13 1 1 7 2902 1 1 19 LEU HD21 H 12.032 -3.969 -2.759 1.00 . A X . 19 LEU HD21 1 1 7 2903 1 1 19 LEU HD22 H 10.411 -4.503 -2.314 1.00 . A X . 19 LEU HD22 1 1 7 2904 1 1 19 LEU HD23 H 11.371 -3.559 -1.175 1.00 . A X . 19 LEU HD23 1 1 7 2905 1 1 19 LEU HG H 9.698 -2.146 -2.193 1.00 . A X . 19 LEU HG 1 1 7 2906 1 1 19 LEU N N 11.024 -0.587 -0.460 1.00 . A X . 19 LEU N 1 1 7 2907 1 1 19 LEU O O 14.271 -0.070 -1.912 1.00 . A X . 19 LEU O 1 1 7 2908 1 1 20 LYS C C 14.526 2.436 0.383 1.00 . A X . 20 LYS C 1 1 7 2909 1 1 20 LYS CA C 13.739 2.448 -0.918 1.00 . A X . 20 LYS CA 1 1 7 2910 1 1 20 LYS CB C 12.997 3.781 -1.055 1.00 . A X . 20 LYS CB 1 1 7 2911 1 1 20 LYS CD C 13.252 4.000 -3.547 1.00 . A X . 20 LYS CD 1 1 7 2912 1 1 20 LYS CE C 14.213 5.169 -3.425 1.00 . A X . 20 LYS CE 1 1 7 2913 1 1 20 LYS CG C 12.278 3.958 -2.383 1.00 . A X . 20 LYS CG 1 1 7 2914 1 1 20 LYS H H 11.891 1.460 -0.628 1.00 . A X . 20 LYS H 1 1 7 2915 1 1 20 LYS HA H 14.424 2.336 -1.745 1.00 . A X . 20 LYS HA 1 1 7 2916 1 1 20 LYS HB2 H 12.263 3.850 -0.265 1.00 . A X . 20 LYS HB2 1 1 7 2917 1 1 20 LYS HB3 H 13.708 4.585 -0.946 1.00 . A X . 20 LYS HB3 1 1 7 2918 1 1 20 LYS HD2 H 13.819 3.082 -3.561 1.00 . A X . 20 LYS HD2 1 1 7 2919 1 1 20 LYS HD3 H 12.692 4.096 -4.467 1.00 . A X . 20 LYS HD3 1 1 7 2920 1 1 20 LYS HE2 H 13.642 6.084 -3.363 1.00 . A X . 20 LYS HE2 1 1 7 2921 1 1 20 LYS HE3 H 14.794 5.047 -2.522 1.00 . A X . 20 LYS HE3 1 1 7 2922 1 1 20 LYS HG2 H 11.600 3.130 -2.527 1.00 . A X . 20 LYS HG2 1 1 7 2923 1 1 20 LYS HG3 H 11.719 4.882 -2.357 1.00 . A X . 20 LYS HG3 1 1 7 2924 1 1 20 LYS HZ1 H 15.706 4.384 -4.655 1.00 . A X . 20 LYS HZ1 1 1 7 2925 1 1 20 LYS HZ2 H 15.777 6.067 -4.470 1.00 . A X . 20 LYS HZ2 1 1 7 2926 1 1 20 LYS HZ3 H 14.591 5.373 -5.469 1.00 . A X . 20 LYS HZ3 1 1 7 2927 1 1 20 LYS N N 12.806 1.331 -0.953 1.00 . A X . 20 LYS N 1 1 7 2928 1 1 20 LYS NZ N 15.135 5.256 -4.585 1.00 . A X . 20 LYS NZ 1 1 7 2929 1 1 20 LYS O O 15.752 2.521 0.383 1.00 . A X . 20 LYS O 1 1 7 2930 1 1 21 LEU C C 15.295 1.136 3.066 1.00 . A X . 21 LEU C 1 1 7 2931 1 1 21 LEU CA C 14.418 2.354 2.812 1.00 . A X . 21 LEU CA 1 1 7 2932 1 1 21 LEU CB C 13.349 2.470 3.905 1.00 . A X . 21 LEU CB 1 1 7 2933 1 1 21 LEU CD1 C 14.150 4.657 4.826 1.00 . A X . 21 LEU CD1 1 1 7 2934 1 1 21 LEU CD2 C 12.353 4.638 3.093 1.00 . A X . 21 LEU CD2 1 1 7 2935 1 1 21 LEU CG C 12.948 3.901 4.283 1.00 . A X . 21 LEU CG 1 1 7 2936 1 1 21 LEU H H 12.834 2.183 1.414 1.00 . A X . 21 LEU H 1 1 7 2937 1 1 21 LEU HA H 15.041 3.234 2.847 1.00 . A X . 21 LEU HA 1 1 7 2938 1 1 21 LEU HB2 H 12.466 1.946 3.571 1.00 . A X . 21 LEU HB2 1 1 7 2939 1 1 21 LEU HB3 H 13.720 1.981 4.793 1.00 . A X . 21 LEU HB3 1 1 7 2940 1 1 21 LEU HD11 H 14.906 4.732 4.056 1.00 . A X . 21 LEU HD11 1 1 7 2941 1 1 21 LEU HD12 H 14.553 4.127 5.675 1.00 . A X . 21 LEU HD12 1 1 7 2942 1 1 21 LEU HD13 H 13.847 5.649 5.129 1.00 . A X . 21 LEU HD13 1 1 7 2943 1 1 21 LEU HD21 H 11.469 4.117 2.755 1.00 . A X . 21 LEU HD21 1 1 7 2944 1 1 21 LEU HD22 H 13.078 4.676 2.292 1.00 . A X . 21 LEU HD22 1 1 7 2945 1 1 21 LEU HD23 H 12.088 5.642 3.388 1.00 . A X . 21 LEU HD23 1 1 7 2946 1 1 21 LEU HG H 12.201 3.866 5.063 1.00 . A X . 21 LEU HG 1 1 7 2947 1 1 21 LEU N N 13.805 2.309 1.489 1.00 . A X . 21 LEU N 1 1 7 2948 1 1 21 LEU O O 16.377 1.253 3.642 1.00 . A X . 21 LEU O 1 1 7 2949 1 1 22 LYS C C 16.517 -1.502 1.650 1.00 . A X . 22 LYS C 1 1 7 2950 1 1 22 LYS CA C 15.609 -1.250 2.846 1.00 . A X . 22 LYS CA 1 1 7 2951 1 1 22 LYS CB C 14.685 -2.447 3.062 1.00 . A X . 22 LYS CB 1 1 7 2952 1 1 22 LYS CD C 14.500 -4.905 3.555 1.00 . A X . 22 LYS CD 1 1 7 2953 1 1 22 LYS CE C 13.298 -4.685 4.455 1.00 . A X . 22 LYS CE 1 1 7 2954 1 1 22 LYS CG C 15.415 -3.697 3.526 1.00 . A X . 22 LYS CG 1 1 7 2955 1 1 22 LYS H H 13.962 -0.081 2.202 1.00 . A X . 22 LYS H 1 1 7 2956 1 1 22 LYS HA H 16.223 -1.115 3.726 1.00 . A X . 22 LYS HA 1 1 7 2957 1 1 22 LYS HB2 H 13.950 -2.190 3.809 1.00 . A X . 22 LYS HB2 1 1 7 2958 1 1 22 LYS HB3 H 14.180 -2.672 2.133 1.00 . A X . 22 LYS HB3 1 1 7 2959 1 1 22 LYS HD2 H 14.151 -5.104 2.553 1.00 . A X . 22 LYS HD2 1 1 7 2960 1 1 22 LYS HD3 H 15.058 -5.756 3.917 1.00 . A X . 22 LYS HD3 1 1 7 2961 1 1 22 LYS HE2 H 13.643 -4.559 5.471 1.00 . A X . 22 LYS HE2 1 1 7 2962 1 1 22 LYS HE3 H 12.780 -3.794 4.133 1.00 . A X . 22 LYS HE3 1 1 7 2963 1 1 22 LYS HG2 H 16.231 -3.896 2.849 1.00 . A X . 22 LYS HG2 1 1 7 2964 1 1 22 LYS HG3 H 15.801 -3.524 4.520 1.00 . A X . 22 LYS HG3 1 1 7 2965 1 1 22 LYS HZ1 H 11.550 -5.664 5.038 1.00 . A X . 22 LYS HZ1 1 1 7 2966 1 1 22 LYS HZ2 H 12.849 -6.704 4.723 1.00 . A X . 22 LYS HZ2 1 1 7 2967 1 1 22 LYS HZ3 H 12.015 -5.978 3.437 1.00 . A X . 22 LYS HZ3 1 1 7 2968 1 1 22 LYS N N 14.837 -0.033 2.647 1.00 . A X . 22 LYS N 1 1 7 2969 1 1 22 LYS NZ N 12.363 -5.835 4.408 1.00 . A X . 22 LYS NZ 1 1 7 2970 1 1 22 LYS O O 17.552 -2.164 1.780 1.00 . A X . 22 LYS O 1 1 7 2971 1 1 23 LYS C C 16.629 -2.554 -1.324 1.00 . A X . 23 LYS C 1 1 7 2972 1 1 23 LYS CA C 16.828 -1.139 -0.775 1.00 . A X . 23 LYS CA 1 1 7 2973 1 1 23 LYS CB C 18.323 -0.825 -0.636 1.00 . A X . 23 LYS CB 1 1 7 2974 1 1 23 LYS CD C 18.602 0.223 -2.902 1.00 . A X . 23 LYS CD 1 1 7 2975 1 1 23 LYS CE C 19.414 0.238 -4.185 1.00 . A X . 23 LYS CE 1 1 7 2976 1 1 23 LYS CG C 19.084 -0.861 -1.951 1.00 . A X . 23 LYS CG 1 1 7 2977 1 1 23 LYS H H 15.312 -0.401 0.502 1.00 . A X . 23 LYS H 1 1 7 2978 1 1 23 LYS HA H 16.394 -0.443 -1.481 1.00 . A X . 23 LYS HA 1 1 7 2979 1 1 23 LYS HB2 H 18.436 0.160 -0.208 1.00 . A X . 23 LYS HB2 1 1 7 2980 1 1 23 LYS HB3 H 18.769 -1.548 0.029 1.00 . A X . 23 LYS HB3 1 1 7 2981 1 1 23 LYS HD2 H 17.565 0.040 -3.144 1.00 . A X . 23 LYS HD2 1 1 7 2982 1 1 23 LYS HD3 H 18.697 1.181 -2.415 1.00 . A X . 23 LYS HD3 1 1 7 2983 1 1 23 LYS HE2 H 19.234 -0.682 -4.723 1.00 . A X . 23 LYS HE2 1 1 7 2984 1 1 23 LYS HE3 H 19.093 1.074 -4.789 1.00 . A X . 23 LYS HE3 1 1 7 2985 1 1 23 LYS HG2 H 20.134 -0.709 -1.752 1.00 . A X . 23 LYS HG2 1 1 7 2986 1 1 23 LYS HG3 H 18.940 -1.825 -2.416 1.00 . A X . 23 LYS HG3 1 1 7 2987 1 1 23 LYS HZ1 H 21.031 1.034 -3.129 1.00 . A X . 23 LYS HZ1 1 1 7 2988 1 1 23 LYS HZ2 H 21.362 0.728 -4.757 1.00 . A X . 23 LYS HZ2 1 1 7 2989 1 1 23 LYS HZ3 H 21.274 -0.561 -3.658 1.00 . A X . 23 LYS HZ3 1 1 7 2990 1 1 23 LYS N N 16.118 -0.958 0.497 1.00 . A X . 23 LYS N 1 1 7 2991 1 1 23 LYS NZ N 20.869 0.367 -3.914 1.00 . A X . 23 LYS NZ 1 1 7 2992 1 1 23 LYS O O 16.219 -2.729 -2.473 1.00 . A X . 23 LYS O 1 1 7 2993 1 1 24 ALA C C 15.339 -5.415 -0.795 1.00 . A X . 24 ALA C 1 1 7 2994 1 1 24 ALA CA C 16.784 -4.946 -0.901 1.00 . A X . 24 ALA CA 1 1 7 2995 1 1 24 ALA CB C 17.685 -5.823 -0.048 1.00 . A X . 24 ALA CB 1 1 7 2996 1 1 24 ALA H H 17.203 -3.344 0.416 1.00 . A X . 24 ALA H 1 1 7 2997 1 1 24 ALA HA H 17.103 -5.027 -1.929 1.00 . A X . 24 ALA HA 1 1 7 2998 1 1 24 ALA HB1 H 17.619 -6.844 -0.391 1.00 . A X . 24 ALA HB1 1 1 7 2999 1 1 24 ALA HB2 H 17.367 -5.767 0.982 1.00 . A X . 24 ALA HB2 1 1 7 3000 1 1 24 ALA HB3 H 18.705 -5.479 -0.132 1.00 . A X . 24 ALA HB3 1 1 7 3001 1 1 24 ALA N N 16.910 -3.552 -0.499 1.00 . A X . 24 ALA N 1 1 7 3002 1 1 24 ALA O O 14.753 -5.796 -1.830 1.00 . A X . 24 ALA O 1 1 7 3003 1 1 24 ALA OXT O 14.785 -5.380 0.324 1.00 . A X . 24 ALA OXT 1 1 8 3004 1 1 1 LYS C C 6.982 -19.448 3.140 1.00 . A X . 1 LYS C 1 1 8 3005 1 1 1 LYS CA C 7.388 -19.425 4.606 1.00 . A X . 1 LYS CA 1 1 8 3006 1 1 1 LYS CB C 6.820 -20.652 5.325 1.00 . A X . 1 LYS CB 1 1 8 3007 1 1 1 LYS CD C 8.752 -21.048 6.898 1.00 . A X . 1 LYS CD 1 1 8 3008 1 1 1 LYS CE C 9.115 -22.422 6.355 1.00 . A X . 1 LYS CE 1 1 8 3009 1 1 1 LYS CG C 7.258 -20.774 6.777 1.00 . A X . 1 LYS CG 1 1 8 3010 1 1 1 LYS H1 H 5.885 -18.204 5.383 1.00 . A X . 1 LYS H1 1 1 8 3011 1 1 1 LYS H2 H 7.165 -17.358 4.669 1.00 . A X . 1 LYS H2 1 1 8 3012 1 1 1 LYS H3 H 7.367 -18.073 6.195 1.00 . A X . 1 LYS H3 1 1 8 3013 1 1 1 LYS HA H 8.467 -19.450 4.664 1.00 . A X . 1 LYS HA 1 1 8 3014 1 1 1 LYS HB2 H 5.742 -20.599 5.301 1.00 . A X . 1 LYS HB2 1 1 8 3015 1 1 1 LYS HB3 H 7.140 -21.540 4.799 1.00 . A X . 1 LYS HB3 1 1 8 3016 1 1 1 LYS HD2 H 9.293 -20.299 6.339 1.00 . A X . 1 LYS HD2 1 1 8 3017 1 1 1 LYS HD3 H 9.035 -20.997 7.941 1.00 . A X . 1 LYS HD3 1 1 8 3018 1 1 1 LYS HE2 H 8.857 -22.458 5.307 1.00 . A X . 1 LYS HE2 1 1 8 3019 1 1 1 LYS HE3 H 10.177 -22.571 6.469 1.00 . A X . 1 LYS HE3 1 1 8 3020 1 1 1 LYS HG2 H 7.031 -19.850 7.290 1.00 . A X . 1 LYS HG2 1 1 8 3021 1 1 1 LYS HG3 H 6.714 -21.585 7.237 1.00 . A X . 1 LYS HG3 1 1 8 3022 1 1 1 LYS HZ1 H 8.544 -23.434 8.095 1.00 . A X . 1 LYS HZ1 1 1 8 3023 1 1 1 LYS HZ2 H 8.743 -24.439 6.743 1.00 . A X . 1 LYS HZ2 1 1 8 3024 1 1 1 LYS HZ3 H 7.373 -23.453 6.869 1.00 . A X . 1 LYS HZ3 1 1 8 3025 1 1 1 LYS N N 6.918 -18.181 5.259 1.00 . A X . 1 LYS N 1 1 8 3026 1 1 1 LYS NZ N 8.393 -23.510 7.065 1.00 . A X . 1 LYS NZ 1 1 8 3027 1 1 1 LYS O O 7.838 -19.453 2.253 1.00 . A X . 1 LYS O 1 1 8 3028 1 1 2 LYS C C 4.118 -18.364 1.333 1.00 . A X . 2 LYS C 1 1 8 3029 1 1 2 LYS CA C 5.177 -19.441 1.515 1.00 . A X . 2 LYS CA 1 1 8 3030 1 1 2 LYS CB C 4.607 -20.803 1.109 1.00 . A X . 2 LYS CB 1 1 8 3031 1 1 2 LYS CD C 5.076 -23.130 0.287 1.00 . A X . 2 LYS CD 1 1 8 3032 1 1 2 LYS CE C 6.154 -24.146 -0.042 1.00 . A X . 2 LYS CE 1 1 8 3033 1 1 2 LYS CG C 5.666 -21.874 0.908 1.00 . A X . 2 LYS CG 1 1 8 3034 1 1 2 LYS H H 5.038 -19.514 3.626 1.00 . A X . 2 LYS H 1 1 8 3035 1 1 2 LYS HA H 6.010 -19.210 0.867 1.00 . A X . 2 LYS HA 1 1 8 3036 1 1 2 LYS HB2 H 3.931 -21.138 1.881 1.00 . A X . 2 LYS HB2 1 1 8 3037 1 1 2 LYS HB3 H 4.058 -20.693 0.186 1.00 . A X . 2 LYS HB3 1 1 8 3038 1 1 2 LYS HD2 H 4.382 -23.573 0.984 1.00 . A X . 2 LYS HD2 1 1 8 3039 1 1 2 LYS HD3 H 4.556 -22.861 -0.622 1.00 . A X . 2 LYS HD3 1 1 8 3040 1 1 2 LYS HE2 H 6.869 -23.689 -0.711 1.00 . A X . 2 LYS HE2 1 1 8 3041 1 1 2 LYS HE3 H 6.650 -24.432 0.874 1.00 . A X . 2 LYS HE3 1 1 8 3042 1 1 2 LYS HG2 H 6.435 -21.488 0.255 1.00 . A X . 2 LYS HG2 1 1 8 3043 1 1 2 LYS HG3 H 6.095 -22.124 1.867 1.00 . A X . 2 LYS HG3 1 1 8 3044 1 1 2 LYS HZ1 H 6.360 -26.023 -0.939 1.00 . A X . 2 LYS HZ1 1 1 8 3045 1 1 2 LYS HZ2 H 5.082 -25.101 -1.562 1.00 . A X . 2 LYS HZ2 1 1 8 3046 1 1 2 LYS HZ3 H 4.932 -25.840 -0.042 1.00 . A X . 2 LYS HZ3 1 1 8 3047 1 1 2 LYS N N 5.680 -19.467 2.881 1.00 . A X . 2 LYS N 1 1 8 3048 1 1 2 LYS NZ N 5.594 -25.361 -0.691 1.00 . A X . 2 LYS NZ 1 1 8 3049 1 1 2 LYS O O 3.011 -18.464 1.865 1.00 . A X . 2 LYS O 1 1 8 3050 1 1 3 LEU C C 2.960 -15.530 1.357 1.00 . A X . 3 LEU C 1 1 8 3051 1 1 3 LEU CA C 3.573 -16.272 0.173 1.00 . A X . 3 LEU CA 1 1 8 3052 1 1 3 LEU CB C 2.472 -16.860 -0.716 1.00 . A X . 3 LEU CB 1 1 8 3053 1 1 3 LEU CD1 C 1.802 -18.119 -2.777 1.00 . A X . 3 LEU CD1 1 1 8 3054 1 1 3 LEU CD2 C 3.670 -16.468 -2.881 1.00 . A X . 3 LEU CD2 1 1 8 3055 1 1 3 LEU CG C 2.962 -17.500 -2.016 1.00 . A X . 3 LEU CG 1 1 8 3056 1 1 3 LEU H H 5.440 -17.251 0.337 1.00 . A X . 3 LEU H 1 1 8 3057 1 1 3 LEU HA H 4.141 -15.565 -0.412 1.00 . A X . 3 LEU HA 1 1 8 3058 1 1 3 LEU HB2 H 1.938 -17.609 -0.146 1.00 . A X . 3 LEU HB2 1 1 8 3059 1 1 3 LEU HB3 H 1.783 -16.068 -0.969 1.00 . A X . 3 LEU HB3 1 1 8 3060 1 1 3 LEU HD11 H 2.171 -18.582 -3.681 1.00 . A X . 3 LEU HD11 1 1 8 3061 1 1 3 LEU HD12 H 1.088 -17.349 -3.033 1.00 . A X . 3 LEU HD12 1 1 8 3062 1 1 3 LEU HD13 H 1.323 -18.864 -2.160 1.00 . A X . 3 LEU HD13 1 1 8 3063 1 1 3 LEU HD21 H 2.993 -15.653 -3.094 1.00 . A X . 3 LEU HD21 1 1 8 3064 1 1 3 LEU HD22 H 3.983 -16.926 -3.806 1.00 . A X . 3 LEU HD22 1 1 8 3065 1 1 3 LEU HD23 H 4.535 -16.090 -2.356 1.00 . A X . 3 LEU HD23 1 1 8 3066 1 1 3 LEU HG H 3.667 -18.285 -1.782 1.00 . A X . 3 LEU HG 1 1 8 3067 1 1 3 LEU N N 4.495 -17.322 0.598 1.00 . A X . 3 LEU N 1 1 8 3068 1 1 3 LEU O O 1.736 -15.437 1.481 1.00 . A X . 3 LEU O 1 1 8 3069 1 1 4 LYS C C 3.907 -12.772 3.221 1.00 . A X . 4 LYS C 1 1 8 3070 1 1 4 LYS CA C 3.339 -14.184 3.340 1.00 . A X . 4 LYS CA 1 1 8 3071 1 1 4 LYS CB C 3.711 -14.805 4.690 1.00 . A X . 4 LYS CB 1 1 8 3072 1 1 4 LYS CD C 3.226 -14.911 7.166 1.00 . A X . 4 LYS CD 1 1 8 3073 1 1 4 LYS CE C 2.316 -14.389 8.268 1.00 . A X . 4 LYS CE 1 1 8 3074 1 1 4 LYS CG C 2.976 -14.171 5.863 1.00 . A X . 4 LYS CG 1 1 8 3075 1 1 4 LYS H H 4.771 -15.165 2.121 1.00 . A X . 4 LYS H 1 1 8 3076 1 1 4 LYS HA H 2.263 -14.126 3.265 1.00 . A X . 4 LYS HA 1 1 8 3077 1 1 4 LYS HB2 H 3.475 -15.859 4.669 1.00 . A X . 4 LYS HB2 1 1 8 3078 1 1 4 LYS HB3 H 4.773 -14.684 4.850 1.00 . A X . 4 LYS HB3 1 1 8 3079 1 1 4 LYS HD2 H 3.030 -15.963 7.016 1.00 . A X . 4 LYS HD2 1 1 8 3080 1 1 4 LYS HD3 H 4.255 -14.768 7.459 1.00 . A X . 4 LYS HD3 1 1 8 3081 1 1 4 LYS HE2 H 2.543 -13.348 8.439 1.00 . A X . 4 LYS HE2 1 1 8 3082 1 1 4 LYS HE3 H 1.289 -14.484 7.947 1.00 . A X . 4 LYS HE3 1 1 8 3083 1 1 4 LYS HG2 H 3.314 -13.152 5.975 1.00 . A X . 4 LYS HG2 1 1 8 3084 1 1 4 LYS HG3 H 1.915 -14.177 5.654 1.00 . A X . 4 LYS HG3 1 1 8 3085 1 1 4 LYS HZ1 H 2.417 -16.159 9.372 1.00 . A X . 4 LYS HZ1 1 1 8 3086 1 1 4 LYS HZ2 H 1.759 -14.851 10.222 1.00 . A X . 4 LYS HZ2 1 1 8 3087 1 1 4 LYS HZ3 H 3.431 -14.925 9.948 1.00 . A X . 4 LYS HZ3 1 1 8 3088 1 1 4 LYS N N 3.809 -15.004 2.230 1.00 . A X . 4 LYS N 1 1 8 3089 1 1 4 LYS NZ N 2.494 -15.131 9.540 1.00 . A X . 4 LYS NZ 1 1 8 3090 1 1 4 LYS O O 3.446 -11.839 3.879 1.00 . A X . 4 LYS O 1 1 8 3091 1 1 5 LEU C C 4.825 -10.732 0.826 1.00 . A X . 5 LEU C 1 1 8 3092 1 1 5 LEU CA C 5.476 -11.309 2.074 1.00 . A X . 5 LEU CA 1 1 8 3093 1 1 5 LEU CB C 6.998 -11.387 1.884 1.00 . A X . 5 LEU CB 1 1 8 3094 1 1 5 LEU CD1 C 7.622 -12.822 3.863 1.00 . A X . 5 LEU CD1 1 1 8 3095 1 1 5 LEU CD2 C 9.304 -11.266 2.863 1.00 . A X . 5 LEU CD2 1 1 8 3096 1 1 5 LEU CG C 7.829 -11.483 3.170 1.00 . A X . 5 LEU CG 1 1 8 3097 1 1 5 LEU H H 5.269 -13.407 1.895 1.00 . A X . 5 LEU H 1 1 8 3098 1 1 5 LEU HA H 5.256 -10.661 2.910 1.00 . A X . 5 LEU HA 1 1 8 3099 1 1 5 LEU HB2 H 7.215 -12.254 1.277 1.00 . A X . 5 LEU HB2 1 1 8 3100 1 1 5 LEU HB3 H 7.313 -10.507 1.344 1.00 . A X . 5 LEU HB3 1 1 8 3101 1 1 5 LEU HD11 H 8.216 -12.854 4.766 1.00 . A X . 5 LEU HD11 1 1 8 3102 1 1 5 LEU HD12 H 7.928 -13.621 3.204 1.00 . A X . 5 LEU HD12 1 1 8 3103 1 1 5 LEU HD13 H 6.580 -12.940 4.114 1.00 . A X . 5 LEU HD13 1 1 8 3104 1 1 5 LEU HD21 H 9.877 -11.335 3.777 1.00 . A X . 5 LEU HD21 1 1 8 3105 1 1 5 LEU HD22 H 9.439 -10.288 2.427 1.00 . A X . 5 LEU HD22 1 1 8 3106 1 1 5 LEU HD23 H 9.641 -12.020 2.168 1.00 . A X . 5 LEU HD23 1 1 8 3107 1 1 5 LEU HG H 7.513 -10.705 3.849 1.00 . A X . 5 LEU HG 1 1 8 3108 1 1 5 LEU N N 4.907 -12.619 2.361 1.00 . A X . 5 LEU N 1 1 8 3109 1 1 5 LEU O O 5.466 -10.049 0.029 1.00 . A X . 5 LEU O 1 1 8 3110 1 1 6 ALA C C 1.629 -9.659 0.028 1.00 . A X . 6 ALA C 1 1 8 3111 1 1 6 ALA CA C 2.777 -10.534 -0.465 1.00 . A X . 6 ALA CA 1 1 8 3112 1 1 6 ALA CB C 2.250 -11.702 -1.286 1.00 . A X . 6 ALA CB 1 1 8 3113 1 1 6 ALA H H 3.102 -11.592 1.327 1.00 . A X . 6 ALA H 1 1 8 3114 1 1 6 ALA HA H 3.431 -9.943 -1.089 1.00 . A X . 6 ALA HA 1 1 8 3115 1 1 6 ALA HB1 H 1.690 -11.329 -2.130 1.00 . A X . 6 ALA HB1 1 1 8 3116 1 1 6 ALA HB2 H 1.608 -12.313 -0.670 1.00 . A X . 6 ALA HB2 1 1 8 3117 1 1 6 ALA HB3 H 3.081 -12.298 -1.639 1.00 . A X . 6 ALA HB3 1 1 8 3118 1 1 6 ALA N N 3.546 -11.027 0.662 1.00 . A X . 6 ALA N 1 1 8 3119 1 1 6 ALA O O 0.478 -10.094 0.076 1.00 . A X . 6 ALA O 1 1 8 3120 1 1 7 PRO C C 0.373 -6.574 -0.089 1.00 . A X . 7 PRO C 1 1 8 3121 1 1 7 PRO CA C 0.963 -7.493 0.972 1.00 . A X . 7 PRO CA 1 1 8 3122 1 1 7 PRO CB C 1.804 -6.698 1.975 1.00 . A X . 7 PRO CB 1 1 8 3123 1 1 7 PRO CD C 3.251 -7.785 0.349 1.00 . A X . 7 PRO CD 1 1 8 3124 1 1 7 PRO CG C 3.229 -6.818 1.509 1.00 . A X . 7 PRO CG 1 1 8 3125 1 1 7 PRO HA H 0.169 -8.009 1.490 1.00 . A X . 7 PRO HA 1 1 8 3126 1 1 7 PRO HB2 H 1.476 -5.668 1.981 1.00 . A X . 7 PRO HB2 1 1 8 3127 1 1 7 PRO HB3 H 1.679 -7.121 2.958 1.00 . A X . 7 PRO HB3 1 1 8 3128 1 1 7 PRO HD2 H 3.379 -7.257 -0.584 1.00 . A X . 7 PRO HD2 1 1 8 3129 1 1 7 PRO HD3 H 4.034 -8.517 0.483 1.00 . A X . 7 PRO HD3 1 1 8 3130 1 1 7 PRO HG2 H 3.590 -5.851 1.189 1.00 . A X . 7 PRO HG2 1 1 8 3131 1 1 7 PRO HG3 H 3.841 -7.193 2.317 1.00 . A X . 7 PRO HG3 1 1 8 3132 1 1 7 PRO N N 1.933 -8.414 0.417 1.00 . A X . 7 PRO N 1 1 8 3133 1 1 7 PRO O O 0.390 -5.354 0.055 1.00 . A X . 7 PRO O 1 1 8 3134 1 1 8 ALA C C -1.946 -5.603 -1.772 1.00 . A X . 8 ALA C 1 1 8 3135 1 1 8 ALA CA C -0.733 -6.397 -2.244 1.00 . A X . 8 ALA CA 1 1 8 3136 1 1 8 ALA CB C -1.111 -7.317 -3.394 1.00 . A X . 8 ALA CB 1 1 8 3137 1 1 8 ALA H H -0.168 -8.146 -1.193 1.00 . A X . 8 ALA H 1 1 8 3138 1 1 8 ALA HA H 0.021 -5.706 -2.597 1.00 . A X . 8 ALA HA 1 1 8 3139 1 1 8 ALA HB1 H -1.870 -8.012 -3.066 1.00 . A X . 8 ALA HB1 1 1 8 3140 1 1 8 ALA HB2 H -0.239 -7.863 -3.722 1.00 . A X . 8 ALA HB2 1 1 8 3141 1 1 8 ALA HB3 H -1.495 -6.727 -4.214 1.00 . A X . 8 ALA HB3 1 1 8 3142 1 1 8 ALA N N -0.158 -7.165 -1.148 1.00 . A X . 8 ALA N 1 1 8 3143 1 1 8 ALA O O -2.210 -4.505 -2.255 1.00 . A X . 8 ALA O 1 1 8 3144 1 1 9 LYS C C -3.490 -4.684 0.979 1.00 . A X . 9 LYS C 1 1 8 3145 1 1 9 LYS CA C -3.850 -5.492 -0.264 1.00 . A X . 9 LYS CA 1 1 8 3146 1 1 9 LYS CB C -4.927 -6.518 0.094 1.00 . A X . 9 LYS CB 1 1 8 3147 1 1 9 LYS CD C -6.533 -8.277 -0.665 1.00 . A X . 9 LYS CD 1 1 8 3148 1 1 9 LYS CE C -7.176 -8.961 -1.856 1.00 . A X . 9 LYS CE 1 1 8 3149 1 1 9 LYS CG C -5.462 -7.293 -1.095 1.00 . A X . 9 LYS CG 1 1 8 3150 1 1 9 LYS H H -2.440 -7.061 -0.494 1.00 . A X . 9 LYS H 1 1 8 3151 1 1 9 LYS HA H -4.238 -4.821 -1.018 1.00 . A X . 9 LYS HA 1 1 8 3152 1 1 9 LYS HB2 H -4.514 -7.224 0.797 1.00 . A X . 9 LYS HB2 1 1 8 3153 1 1 9 LYS HB3 H -5.755 -6.002 0.559 1.00 . A X . 9 LYS HB3 1 1 8 3154 1 1 9 LYS HD2 H -6.083 -9.030 -0.034 1.00 . A X . 9 LYS HD2 1 1 8 3155 1 1 9 LYS HD3 H -7.294 -7.747 -0.110 1.00 . A X . 9 LYS HD3 1 1 8 3156 1 1 9 LYS HE2 H -6.425 -9.548 -2.365 1.00 . A X . 9 LYS HE2 1 1 8 3157 1 1 9 LYS HE3 H -7.962 -9.612 -1.502 1.00 . A X . 9 LYS HE3 1 1 8 3158 1 1 9 LYS HG2 H -5.885 -6.599 -1.805 1.00 . A X . 9 LYS HG2 1 1 8 3159 1 1 9 LYS HG3 H -4.651 -7.837 -1.559 1.00 . A X . 9 LYS HG3 1 1 8 3160 1 1 9 LYS HZ1 H -8.455 -8.450 -3.422 1.00 . A X . 9 LYS HZ1 1 1 8 3161 1 1 9 LYS HZ2 H -6.996 -7.587 -3.415 1.00 . A X . 9 LYS HZ2 1 1 8 3162 1 1 9 LYS HZ3 H -8.212 -7.200 -2.296 1.00 . A X . 9 LYS HZ3 1 1 8 3163 1 1 9 LYS N N -2.680 -6.162 -0.820 1.00 . A X . 9 LYS N 1 1 8 3164 1 1 9 LYS NZ N -7.751 -7.981 -2.811 1.00 . A X . 9 LYS NZ 1 1 8 3165 1 1 9 LYS O O -4.359 -4.081 1.608 1.00 . A X . 9 LYS O 1 1 8 3166 1 1 10 LEU C C -0.802 -2.887 2.284 1.00 . A X . 10 LEU C 1 1 8 3167 1 1 10 LEU CA C -1.774 -4.027 2.563 1.00 . A X . 10 LEU CA 1 1 8 3168 1 1 10 LEU CB C -1.114 -5.060 3.485 1.00 . A X . 10 LEU CB 1 1 8 3169 1 1 10 LEU CD1 C -1.209 -7.243 4.711 1.00 . A X . 10 LEU CD1 1 1 8 3170 1 1 10 LEU CD2 C -3.231 -5.778 4.632 1.00 . A X . 10 LEU CD2 1 1 8 3171 1 1 10 LEU CG C -1.996 -6.249 3.876 1.00 . A X . 10 LEU CG 1 1 8 3172 1 1 10 LEU H H -1.545 -5.071 0.729 1.00 . A X . 10 LEU H 1 1 8 3173 1 1 10 LEU HA H -2.647 -3.629 3.057 1.00 . A X . 10 LEU HA 1 1 8 3174 1 1 10 LEU HB2 H -0.232 -5.443 2.989 1.00 . A X . 10 LEU HB2 1 1 8 3175 1 1 10 LEU HB3 H -0.805 -4.558 4.389 1.00 . A X . 10 LEU HB3 1 1 8 3176 1 1 10 LEU HD11 H -0.369 -7.605 4.138 1.00 . A X . 10 LEU HD11 1 1 8 3177 1 1 10 LEU HD12 H -1.847 -8.072 4.980 1.00 . A X . 10 LEU HD12 1 1 8 3178 1 1 10 LEU HD13 H -0.852 -6.757 5.607 1.00 . A X . 10 LEU HD13 1 1 8 3179 1 1 10 LEU HD21 H -3.796 -5.103 4.008 1.00 . A X . 10 LEU HD21 1 1 8 3180 1 1 10 LEU HD22 H -2.929 -5.269 5.535 1.00 . A X . 10 LEU HD22 1 1 8 3181 1 1 10 LEU HD23 H -3.842 -6.631 4.885 1.00 . A X . 10 LEU HD23 1 1 8 3182 1 1 10 LEU HG H -2.326 -6.756 2.981 1.00 . A X . 10 LEU HG 1 1 8 3183 1 1 10 LEU N N -2.211 -4.664 1.326 1.00 . A X . 10 LEU N 1 1 8 3184 1 1 10 LEU O O -1.080 -1.726 2.591 1.00 . A X . 10 LEU O 1 1 8 3185 1 1 11 ALA C C 1.673 -2.141 -0.052 1.00 . A X . 11 ALA C 1 1 8 3186 1 1 11 ALA CA C 1.391 -2.265 1.440 1.00 . A X . 11 ALA CA 1 1 8 3187 1 1 11 ALA CB C 2.646 -2.673 2.196 1.00 . A X . 11 ALA CB 1 1 8 3188 1 1 11 ALA H H 0.443 -4.149 1.368 1.00 . A X . 11 ALA H 1 1 8 3189 1 1 11 ALA HA H 1.068 -1.305 1.816 1.00 . A X . 11 ALA HA 1 1 8 3190 1 1 11 ALA HB1 H 2.418 -2.761 3.248 1.00 . A X . 11 ALA HB1 1 1 8 3191 1 1 11 ALA HB2 H 3.409 -1.924 2.054 1.00 . A X . 11 ALA HB2 1 1 8 3192 1 1 11 ALA HB3 H 3.001 -3.624 1.824 1.00 . A X . 11 ALA HB3 1 1 8 3193 1 1 11 ALA N N 0.327 -3.225 1.683 1.00 . A X . 11 ALA N 1 1 8 3194 1 1 11 ALA O O 2.805 -2.308 -0.503 1.00 . A X . 11 ALA O 1 1 8 3195 1 1 12 LEU C C 1.391 -0.329 -2.567 1.00 . A X . 12 LEU C 1 1 8 3196 1 1 12 LEU CA C 0.756 -1.678 -2.251 1.00 . A X . 12 LEU CA 1 1 8 3197 1 1 12 LEU CB C -0.619 -1.788 -2.917 1.00 . A X . 12 LEU CB 1 1 8 3198 1 1 12 LEU CD1 C 0.181 -3.005 -4.958 1.00 . A X . 12 LEU CD1 1 1 8 3199 1 1 12 LEU CD2 C -2.024 -1.833 -4.989 1.00 . A X . 12 LEU CD2 1 1 8 3200 1 1 12 LEU CG C -0.604 -1.806 -4.446 1.00 . A X . 12 LEU CG 1 1 8 3201 1 1 12 LEU H H -0.243 -1.703 -0.391 1.00 . A X . 12 LEU H 1 1 8 3202 1 1 12 LEU HA H 1.396 -2.465 -2.622 1.00 . A X . 12 LEU HA 1 1 8 3203 1 1 12 LEU HB2 H -1.090 -2.697 -2.573 1.00 . A X . 12 LEU HB2 1 1 8 3204 1 1 12 LEU HB3 H -1.220 -0.949 -2.596 1.00 . A X . 12 LEU HB3 1 1 8 3205 1 1 12 LEU HD11 H 0.178 -3.003 -6.038 1.00 . A X . 12 LEU HD11 1 1 8 3206 1 1 12 LEU HD12 H -0.276 -3.915 -4.599 1.00 . A X . 12 LEU HD12 1 1 8 3207 1 1 12 LEU HD13 H 1.199 -2.947 -4.602 1.00 . A X . 12 LEU HD13 1 1 8 3208 1 1 12 LEU HD21 H -2.531 -2.717 -4.630 1.00 . A X . 12 LEU HD21 1 1 8 3209 1 1 12 LEU HD22 H -1.997 -1.849 -6.069 1.00 . A X . 12 LEU HD22 1 1 8 3210 1 1 12 LEU HD23 H -2.555 -0.955 -4.656 1.00 . A X . 12 LEU HD23 1 1 8 3211 1 1 12 LEU HG H -0.123 -0.909 -4.807 1.00 . A X . 12 LEU HG 1 1 8 3212 1 1 12 LEU N N 0.632 -1.838 -0.812 1.00 . A X . 12 LEU N 1 1 8 3213 1 1 12 LEU O O 2.132 -0.188 -3.541 1.00 . A X . 12 LEU O 1 1 8 3214 1 1 13 LEU C C 3.027 2.037 -1.153 1.00 . A X . 13 LEU C 1 1 8 3215 1 1 13 LEU CA C 1.687 1.982 -1.875 1.00 . A X . 13 LEU CA 1 1 8 3216 1 1 13 LEU CB C 0.743 3.050 -1.316 1.00 . A X . 13 LEU CB 1 1 8 3217 1 1 13 LEU CD1 C 1.542 4.907 -2.802 1.00 . A X . 13 LEU CD1 1 1 8 3218 1 1 13 LEU CD2 C 0.282 5.436 -0.705 1.00 . A X . 13 LEU CD2 1 1 8 3219 1 1 13 LEU CG C 1.271 4.486 -1.365 1.00 . A X . 13 LEU CG 1 1 8 3220 1 1 13 LEU H H 0.474 0.490 -0.988 1.00 . A X . 13 LEU H 1 1 8 3221 1 1 13 LEU HA H 1.846 2.163 -2.928 1.00 . A X . 13 LEU HA 1 1 8 3222 1 1 13 LEU HB2 H -0.180 3.011 -1.876 1.00 . A X . 13 LEU HB2 1 1 8 3223 1 1 13 LEU HB3 H 0.529 2.808 -0.286 1.00 . A X . 13 LEU HB3 1 1 8 3224 1 1 13 LEU HD11 H 1.946 5.907 -2.815 1.00 . A X . 13 LEU HD11 1 1 8 3225 1 1 13 LEU HD12 H 0.619 4.884 -3.363 1.00 . A X . 13 LEU HD12 1 1 8 3226 1 1 13 LEU HD13 H 2.250 4.225 -3.250 1.00 . A X . 13 LEU HD13 1 1 8 3227 1 1 13 LEU HD21 H -0.666 5.385 -1.221 1.00 . A X . 13 LEU HD21 1 1 8 3228 1 1 13 LEU HD22 H 0.663 6.446 -0.752 1.00 . A X . 13 LEU HD22 1 1 8 3229 1 1 13 LEU HD23 H 0.144 5.152 0.329 1.00 . A X . 13 LEU HD23 1 1 8 3230 1 1 13 LEU HG H 2.203 4.538 -0.823 1.00 . A X . 13 LEU HG 1 1 8 3231 1 1 13 LEU N N 1.102 0.658 -1.729 1.00 . A X . 13 LEU N 1 1 8 3232 1 1 13 LEU O O 3.950 2.736 -1.571 1.00 . A X . 13 LEU O 1 1 8 3233 1 1 14 TRP C C 5.412 0.359 0.020 1.00 . A X . 14 TRP C 1 1 8 3234 1 1 14 TRP CA C 4.356 1.216 0.713 1.00 . A X . 14 TRP CA 1 1 8 3235 1 1 14 TRP CB C 4.064 0.677 2.114 1.00 . A X . 14 TRP CB 1 1 8 3236 1 1 14 TRP CD1 C 1.807 0.888 3.315 1.00 . A X . 14 TRP CD1 1 1 8 3237 1 1 14 TRP CD2 C 2.916 2.826 3.098 1.00 . A X . 14 TRP CD2 1 1 8 3238 1 1 14 TRP CE2 C 1.702 3.074 3.766 1.00 . A X . 14 TRP CE2 1 1 8 3239 1 1 14 TRP CE3 C 3.779 3.897 2.854 1.00 . A X . 14 TRP CE3 1 1 8 3240 1 1 14 TRP CG C 2.964 1.419 2.816 1.00 . A X . 14 TRP CG 1 1 8 3241 1 1 14 TRP CH2 C 2.193 5.374 3.939 1.00 . A X . 14 TRP CH2 1 1 8 3242 1 1 14 TRP CZ2 C 1.330 4.346 4.190 1.00 . A X . 14 TRP CZ2 1 1 8 3243 1 1 14 TRP CZ3 C 3.409 5.160 3.277 1.00 . A X . 14 TRP CZ3 1 1 8 3244 1 1 14 TRP H H 2.366 0.717 0.190 1.00 . A X . 14 TRP H 1 1 8 3245 1 1 14 TRP HA H 4.731 2.224 0.798 1.00 . A X . 14 TRP HA 1 1 8 3246 1 1 14 TRP HB2 H 3.777 -0.362 2.041 1.00 . A X . 14 TRP HB2 1 1 8 3247 1 1 14 TRP HB3 H 4.957 0.756 2.717 1.00 . A X . 14 TRP HB3 1 1 8 3248 1 1 14 TRP HD1 H 1.543 -0.160 3.262 1.00 . A X . 14 TRP HD1 1 1 8 3249 1 1 14 TRP HE1 H 0.166 1.746 4.307 1.00 . A X . 14 TRP HE1 1 1 8 3250 1 1 14 TRP HE3 H 4.718 3.749 2.343 1.00 . A X . 14 TRP HE3 1 1 8 3251 1 1 14 TRP HH2 H 1.944 6.376 4.251 1.00 . A X . 14 TRP HH2 1 1 8 3252 1 1 14 TRP HZ2 H 0.395 4.526 4.702 1.00 . A X . 14 TRP HZ2 1 1 8 3253 1 1 14 TRP HZ3 H 4.062 6.000 3.098 1.00 . A X . 14 TRP HZ3 1 1 8 3254 1 1 14 TRP N N 3.133 1.263 -0.080 1.00 . A X . 14 TRP N 1 1 8 3255 1 1 14 TRP NE1 N 1.043 1.877 3.882 1.00 . A X . 14 TRP NE1 1 1 8 3256 1 1 14 TRP O O 6.543 0.245 0.487 1.00 . A X . 14 TRP O 1 1 8 3257 1 1 15 LYS C C 7.111 -0.180 -2.391 1.00 . A X . 15 LYS C 1 1 8 3258 1 1 15 LYS CA C 5.926 -1.023 -1.924 1.00 . A X . 15 LYS CA 1 1 8 3259 1 1 15 LYS CB C 5.154 -1.586 -3.122 1.00 . A X . 15 LYS CB 1 1 8 3260 1 1 15 LYS CD C 5.180 -2.767 -5.331 1.00 . A X . 15 LYS CD 1 1 8 3261 1 1 15 LYS CE C 6.049 -3.280 -6.466 1.00 . A X . 15 LYS CE 1 1 8 3262 1 1 15 LYS CG C 6.014 -2.311 -4.144 1.00 . A X . 15 LYS CG 1 1 8 3263 1 1 15 LYS H H 4.092 -0.131 -1.384 1.00 . A X . 15 LYS H 1 1 8 3264 1 1 15 LYS HA H 6.293 -1.841 -1.326 1.00 . A X . 15 LYS HA 1 1 8 3265 1 1 15 LYS HB2 H 4.412 -2.280 -2.757 1.00 . A X . 15 LYS HB2 1 1 8 3266 1 1 15 LYS HB3 H 4.651 -0.770 -3.621 1.00 . A X . 15 LYS HB3 1 1 8 3267 1 1 15 LYS HD2 H 4.523 -3.562 -5.011 1.00 . A X . 15 LYS HD2 1 1 8 3268 1 1 15 LYS HD3 H 4.591 -1.935 -5.688 1.00 . A X . 15 LYS HD3 1 1 8 3269 1 1 15 LYS HE2 H 6.734 -2.499 -6.763 1.00 . A X . 15 LYS HE2 1 1 8 3270 1 1 15 LYS HE3 H 6.606 -4.137 -6.120 1.00 . A X . 15 LYS HE3 1 1 8 3271 1 1 15 LYS HG2 H 6.786 -1.642 -4.490 1.00 . A X . 15 LYS HG2 1 1 8 3272 1 1 15 LYS HG3 H 6.461 -3.174 -3.674 1.00 . A X . 15 LYS HG3 1 1 8 3273 1 1 15 LYS HZ1 H 4.671 -4.532 -7.414 1.00 . A X . 15 LYS HZ1 1 1 8 3274 1 1 15 LYS HZ2 H 5.839 -3.883 -8.460 1.00 . A X . 15 LYS HZ2 1 1 8 3275 1 1 15 LYS HZ3 H 4.567 -2.909 -7.894 1.00 . A X . 15 LYS HZ3 1 1 8 3276 1 1 15 LYS N N 5.024 -0.231 -1.102 1.00 . A X . 15 LYS N 1 1 8 3277 1 1 15 LYS NZ N 5.226 -3.678 -7.639 1.00 . A X . 15 LYS NZ 1 1 8 3278 1 1 15 LYS O O 8.252 -0.646 -2.411 1.00 . A X . 15 LYS O 1 1 8 3279 1 1 16 ALA C C 8.869 2.266 -2.066 1.00 . A X . 16 ALA C 1 1 8 3280 1 1 16 ALA CA C 7.868 1.992 -3.184 1.00 . A X . 16 ALA CA 1 1 8 3281 1 1 16 ALA CB C 7.243 3.293 -3.668 1.00 . A X . 16 ALA CB 1 1 8 3282 1 1 16 ALA H H 5.905 1.384 -2.696 1.00 . A X . 16 ALA H 1 1 8 3283 1 1 16 ALA HA H 8.387 1.538 -4.016 1.00 . A X . 16 ALA HA 1 1 8 3284 1 1 16 ALA HB1 H 8.015 3.944 -4.051 1.00 . A X . 16 ALA HB1 1 1 8 3285 1 1 16 ALA HB2 H 6.740 3.777 -2.844 1.00 . A X . 16 ALA HB2 1 1 8 3286 1 1 16 ALA HB3 H 6.530 3.081 -4.451 1.00 . A X . 16 ALA HB3 1 1 8 3287 1 1 16 ALA N N 6.833 1.072 -2.739 1.00 . A X . 16 ALA N 1 1 8 3288 1 1 16 ALA O O 10.062 2.433 -2.311 1.00 . A X . 16 ALA O 1 1 8 3289 1 1 17 LEU C C 10.014 1.282 0.667 1.00 . A X . 17 LEU C 1 1 8 3290 1 1 17 LEU CA C 9.215 2.534 0.326 1.00 . A X . 17 LEU CA 1 1 8 3291 1 1 17 LEU CB C 8.379 2.967 1.540 1.00 . A X . 17 LEU CB 1 1 8 3292 1 1 17 LEU CD1 C 6.632 4.459 0.487 1.00 . A X . 17 LEU CD1 1 1 8 3293 1 1 17 LEU CD2 C 7.334 4.825 2.866 1.00 . A X . 17 LEU CD2 1 1 8 3294 1 1 17 LEU CG C 7.786 4.382 1.479 1.00 . A X . 17 LEU CG 1 1 8 3295 1 1 17 LEU H H 7.414 2.136 -0.706 1.00 . A X . 17 LEU H 1 1 8 3296 1 1 17 LEU HA H 9.904 3.327 0.072 1.00 . A X . 17 LEU HA 1 1 8 3297 1 1 17 LEU HB2 H 7.565 2.267 1.650 1.00 . A X . 17 LEU HB2 1 1 8 3298 1 1 17 LEU HB3 H 9.004 2.904 2.420 1.00 . A X . 17 LEU HB3 1 1 8 3299 1 1 17 LEU HD11 H 6.976 4.153 -0.491 1.00 . A X . 17 LEU HD11 1 1 8 3300 1 1 17 LEU HD12 H 6.263 5.473 0.436 1.00 . A X . 17 LEU HD12 1 1 8 3301 1 1 17 LEU HD13 H 5.835 3.803 0.807 1.00 . A X . 17 LEU HD13 1 1 8 3302 1 1 17 LEU HD21 H 8.175 4.799 3.544 1.00 . A X . 17 LEU HD21 1 1 8 3303 1 1 17 LEU HD22 H 6.562 4.161 3.225 1.00 . A X . 17 LEU HD22 1 1 8 3304 1 1 17 LEU HD23 H 6.947 5.833 2.815 1.00 . A X . 17 LEU HD23 1 1 8 3305 1 1 17 LEU HG H 8.551 5.067 1.146 1.00 . A X . 17 LEU HG 1 1 8 3306 1 1 17 LEU N N 8.371 2.293 -0.836 1.00 . A X . 17 LEU N 1 1 8 3307 1 1 17 LEU O O 11.191 1.358 1.019 1.00 . A X . 17 LEU O 1 1 8 3308 1 1 18 ALA C C 11.205 -1.384 -0.088 1.00 . A X . 18 ALA C 1 1 8 3309 1 1 18 ALA CA C 10.013 -1.144 0.831 1.00 . A X . 18 ALA CA 1 1 8 3310 1 1 18 ALA CB C 9.008 -2.282 0.708 1.00 . A X . 18 ALA CB 1 1 8 3311 1 1 18 ALA H H 8.434 0.140 0.244 1.00 . A X . 18 ALA H 1 1 8 3312 1 1 18 ALA HA H 10.361 -1.112 1.854 1.00 . A X . 18 ALA HA 1 1 8 3313 1 1 18 ALA HB1 H 9.488 -3.213 0.972 1.00 . A X . 18 ALA HB1 1 1 8 3314 1 1 18 ALA HB2 H 8.650 -2.339 -0.310 1.00 . A X . 18 ALA HB2 1 1 8 3315 1 1 18 ALA HB3 H 8.176 -2.106 1.372 1.00 . A X . 18 ALA HB3 1 1 8 3316 1 1 18 ALA N N 9.372 0.131 0.536 1.00 . A X . 18 ALA N 1 1 8 3317 1 1 18 ALA O O 12.228 -1.918 0.332 1.00 . A X . 18 ALA O 1 1 8 3318 1 1 19 LEU C C 13.090 -0.021 -2.424 1.00 . A X . 19 LEU C 1 1 8 3319 1 1 19 LEU CA C 12.120 -1.197 -2.329 1.00 . A X . 19 LEU CA 1 1 8 3320 1 1 19 LEU CB C 11.490 -1.458 -3.697 1.00 . A X . 19 LEU CB 1 1 8 3321 1 1 19 LEU CD1 C 9.897 -2.740 -5.135 1.00 . A X . 19 LEU CD1 1 1 8 3322 1 1 19 LEU CD2 C 11.273 -3.942 -3.433 1.00 . A X . 19 LEU CD2 1 1 8 3323 1 1 19 LEU CG C 10.536 -2.651 -3.760 1.00 . A X . 19 LEU CG 1 1 8 3324 1 1 19 LEU H H 10.260 -0.487 -1.604 1.00 . A X . 19 LEU H 1 1 8 3325 1 1 19 LEU HA H 12.671 -2.073 -2.025 1.00 . A X . 19 LEU HA 1 1 8 3326 1 1 19 LEU HB2 H 10.947 -0.572 -3.993 1.00 . A X . 19 LEU HB2 1 1 8 3327 1 1 19 LEU HB3 H 12.286 -1.624 -4.408 1.00 . A X . 19 LEU HB3 1 1 8 3328 1 1 19 LEU HD11 H 9.330 -1.841 -5.329 1.00 . A X . 19 LEU HD11 1 1 8 3329 1 1 19 LEU HD12 H 9.240 -3.598 -5.173 1.00 . A X . 19 LEU HD12 1 1 8 3330 1 1 19 LEU HD13 H 10.670 -2.845 -5.880 1.00 . A X . 19 LEU HD13 1 1 8 3331 1 1 19 LEU HD21 H 10.582 -4.771 -3.469 1.00 . A X . 19 LEU HD21 1 1 8 3332 1 1 19 LEU HD22 H 11.701 -3.873 -2.444 1.00 . A X . 19 LEU HD22 1 1 8 3333 1 1 19 LEU HD23 H 12.060 -4.098 -4.155 1.00 . A X . 19 LEU HD23 1 1 8 3334 1 1 19 LEU HG H 9.748 -2.517 -3.032 1.00 . A X . 19 LEU HG 1 1 8 3335 1 1 19 LEU N N 11.079 -0.961 -1.337 1.00 . A X . 19 LEU N 1 1 8 3336 1 1 19 LEU O O 13.881 0.066 -3.366 1.00 . A X . 19 LEU O 1 1 8 3337 1 1 20 LYS C C 14.510 2.314 -0.090 1.00 . A X . 20 LYS C 1 1 8 3338 1 1 20 LYS CA C 13.913 2.047 -1.465 1.00 . A X . 20 LYS CA 1 1 8 3339 1 1 20 LYS CB C 13.152 3.274 -1.968 1.00 . A X . 20 LYS CB 1 1 8 3340 1 1 20 LYS CD C 13.243 5.689 -2.670 1.00 . A X . 20 LYS CD 1 1 8 3341 1 1 20 LYS CE C 14.090 6.951 -2.716 1.00 . A X . 20 LYS CE 1 1 8 3342 1 1 20 LYS CG C 14.005 4.530 -2.046 1.00 . A X . 20 LYS CG 1 1 8 3343 1 1 20 LYS H H 12.393 0.765 -0.726 1.00 . A X . 20 LYS H 1 1 8 3344 1 1 20 LYS HA H 14.721 1.836 -2.147 1.00 . A X . 20 LYS HA 1 1 8 3345 1 1 20 LYS HB2 H 12.769 3.063 -2.956 1.00 . A X . 20 LYS HB2 1 1 8 3346 1 1 20 LYS HB3 H 12.322 3.468 -1.303 1.00 . A X . 20 LYS HB3 1 1 8 3347 1 1 20 LYS HD2 H 12.964 5.419 -3.678 1.00 . A X . 20 LYS HD2 1 1 8 3348 1 1 20 LYS HD3 H 12.354 5.881 -2.088 1.00 . A X . 20 LYS HD3 1 1 8 3349 1 1 20 LYS HE2 H 13.518 7.736 -3.192 1.00 . A X . 20 LYS HE2 1 1 8 3350 1 1 20 LYS HE3 H 14.331 7.246 -1.704 1.00 . A X . 20 LYS HE3 1 1 8 3351 1 1 20 LYS HG2 H 14.308 4.808 -1.046 1.00 . A X . 20 LYS HG2 1 1 8 3352 1 1 20 LYS HG3 H 14.881 4.323 -2.643 1.00 . A X . 20 LYS HG3 1 1 8 3353 1 1 20 LYS HZ1 H 15.142 6.591 -4.488 1.00 . A X . 20 LYS HZ1 1 1 8 3354 1 1 20 LYS HZ2 H 15.863 5.913 -3.110 1.00 . A X . 20 LYS HZ2 1 1 8 3355 1 1 20 LYS HZ3 H 15.970 7.580 -3.384 1.00 . A X . 20 LYS HZ3 1 1 8 3356 1 1 20 LYS N N 13.037 0.881 -1.454 1.00 . A X . 20 LYS N 1 1 8 3357 1 1 20 LYS NZ N 15.352 6.745 -3.477 1.00 . A X . 20 LYS NZ 1 1 8 3358 1 1 20 LYS O O 15.715 2.506 0.042 1.00 . A X . 20 LYS O 1 1 8 3359 1 1 21 LEU C C 14.644 1.298 2.927 1.00 . A X . 21 LEU C 1 1 8 3360 1 1 21 LEU CA C 14.134 2.581 2.283 1.00 . A X . 21 LEU CA 1 1 8 3361 1 1 21 LEU CB C 13.019 3.194 3.138 1.00 . A X . 21 LEU CB 1 1 8 3362 1 1 21 LEU CD1 C 13.885 5.529 2.801 1.00 . A X . 21 LEU CD1 1 1 8 3363 1 1 21 LEU CD2 C 11.889 4.754 1.500 1.00 . A X . 21 LEU CD2 1 1 8 3364 1 1 21 LEU CG C 12.643 4.650 2.819 1.00 . A X . 21 LEU CG 1 1 8 3365 1 1 21 LEU H H 12.717 2.153 0.774 1.00 . A X . 21 LEU H 1 1 8 3366 1 1 21 LEU HA H 14.953 3.285 2.221 1.00 . A X . 21 LEU HA 1 1 8 3367 1 1 21 LEU HB2 H 12.135 2.586 3.017 1.00 . A X . 21 LEU HB2 1 1 8 3368 1 1 21 LEU HB3 H 13.326 3.147 4.171 1.00 . A X . 21 LEU HB3 1 1 8 3369 1 1 21 LEU HD11 H 14.571 5.165 2.051 1.00 . A X . 21 LEU HD11 1 1 8 3370 1 1 21 LEU HD12 H 14.363 5.497 3.769 1.00 . A X . 21 LEU HD12 1 1 8 3371 1 1 21 LEU HD13 H 13.605 6.547 2.571 1.00 . A X . 21 LEU HD13 1 1 8 3372 1 1 21 LEU HD21 H 10.997 4.146 1.544 1.00 . A X . 21 LEU HD21 1 1 8 3373 1 1 21 LEU HD22 H 12.522 4.408 0.696 1.00 . A X . 21 LEU HD22 1 1 8 3374 1 1 21 LEU HD23 H 11.614 5.784 1.325 1.00 . A X . 21 LEU HD23 1 1 8 3375 1 1 21 LEU HG H 11.994 5.016 3.601 1.00 . A X . 21 LEU HG 1 1 8 3376 1 1 21 LEU N N 13.672 2.324 0.930 1.00 . A X . 21 LEU N 1 1 8 3377 1 1 21 LEU O O 15.562 1.329 3.744 1.00 . A X . 21 LEU O 1 1 8 3378 1 1 22 LYS C C 15.571 -1.710 2.163 1.00 . A X . 22 LYS C 1 1 8 3379 1 1 22 LYS CA C 14.493 -1.125 3.067 1.00 . A X . 22 LYS CA 1 1 8 3380 1 1 22 LYS CB C 13.319 -2.097 3.175 1.00 . A X . 22 LYS CB 1 1 8 3381 1 1 22 LYS CD C 11.059 -2.612 4.126 1.00 . A X . 22 LYS CD 1 1 8 3382 1 1 22 LYS CE C 9.907 -2.120 4.987 1.00 . A X . 22 LYS CE 1 1 8 3383 1 1 22 LYS CG C 12.182 -1.591 4.042 1.00 . A X . 22 LYS CG 1 1 8 3384 1 1 22 LYS H H 13.312 0.199 1.906 1.00 . A X . 22 LYS H 1 1 8 3385 1 1 22 LYS HA H 14.912 -0.965 4.050 1.00 . A X . 22 LYS HA 1 1 8 3386 1 1 22 LYS HB2 H 12.931 -2.281 2.185 1.00 . A X . 22 LYS HB2 1 1 8 3387 1 1 22 LYS HB3 H 13.675 -3.029 3.591 1.00 . A X . 22 LYS HB3 1 1 8 3388 1 1 22 LYS HD2 H 10.686 -2.806 3.130 1.00 . A X . 22 LYS HD2 1 1 8 3389 1 1 22 LYS HD3 H 11.449 -3.525 4.549 1.00 . A X . 22 LYS HD3 1 1 8 3390 1 1 22 LYS HE2 H 9.509 -1.216 4.549 1.00 . A X . 22 LYS HE2 1 1 8 3391 1 1 22 LYS HE3 H 9.138 -2.879 5.005 1.00 . A X . 22 LYS HE3 1 1 8 3392 1 1 22 LYS HG2 H 12.558 -1.394 5.037 1.00 . A X . 22 LYS HG2 1 1 8 3393 1 1 22 LYS HG3 H 11.796 -0.677 3.614 1.00 . A X . 22 LYS HG3 1 1 8 3394 1 1 22 LYS HZ1 H 10.977 -2.579 6.723 1.00 . A X . 22 LYS HZ1 1 1 8 3395 1 1 22 LYS HZ2 H 9.503 -1.797 7.007 1.00 . A X . 22 LYS HZ2 1 1 8 3396 1 1 22 LYS HZ3 H 10.828 -0.912 6.426 1.00 . A X . 22 LYS HZ3 1 1 8 3397 1 1 22 LYS N N 14.055 0.167 2.547 1.00 . A X . 22 LYS N 1 1 8 3398 1 1 22 LYS NZ N 10.336 -1.830 6.380 1.00 . A X . 22 LYS NZ 1 1 8 3399 1 1 22 LYS O O 16.243 -2.682 2.514 1.00 . A X . 22 LYS O 1 1 8 3400 1 1 23 LYS C C 17.938 -0.569 0.155 1.00 . A X . 23 LYS C 1 1 8 3401 1 1 23 LYS CA C 16.748 -1.512 0.049 1.00 . A X . 23 LYS CA 1 1 8 3402 1 1 23 LYS CB C 16.182 -1.508 -1.377 1.00 . A X . 23 LYS CB 1 1 8 3403 1 1 23 LYS CD C 18.036 -2.951 -2.319 1.00 . A X . 23 LYS CD 1 1 8 3404 1 1 23 LYS CE C 18.976 -3.176 -3.499 1.00 . A X . 23 LYS CE 1 1 8 3405 1 1 23 LYS CG C 17.222 -1.676 -2.482 1.00 . A X . 23 LYS CG 1 1 8 3406 1 1 23 LYS H H 15.124 -0.371 0.755 1.00 . A X . 23 LYS H 1 1 8 3407 1 1 23 LYS HA H 17.065 -2.512 0.306 1.00 . A X . 23 LYS HA 1 1 8 3408 1 1 23 LYS HB2 H 15.471 -2.316 -1.464 1.00 . A X . 23 LYS HB2 1 1 8 3409 1 1 23 LYS HB3 H 15.664 -0.573 -1.539 1.00 . A X . 23 LYS HB3 1 1 8 3410 1 1 23 LYS HD2 H 18.624 -2.879 -1.416 1.00 . A X . 23 LYS HD2 1 1 8 3411 1 1 23 LYS HD3 H 17.359 -3.790 -2.243 1.00 . A X . 23 LYS HD3 1 1 8 3412 1 1 23 LYS HE2 H 19.596 -4.036 -3.288 1.00 . A X . 23 LYS HE2 1 1 8 3413 1 1 23 LYS HE3 H 18.381 -3.373 -4.378 1.00 . A X . 23 LYS HE3 1 1 8 3414 1 1 23 LYS HG2 H 16.717 -1.707 -3.435 1.00 . A X . 23 LYS HG2 1 1 8 3415 1 1 23 LYS HG3 H 17.893 -0.827 -2.460 1.00 . A X . 23 LYS HG3 1 1 8 3416 1 1 23 LYS HZ1 H 20.632 -2.275 -4.404 1.00 . A X . 23 LYS HZ1 1 1 8 3417 1 1 23 LYS HZ2 H 20.269 -1.643 -2.872 1.00 . A X . 23 LYS HZ2 1 1 8 3418 1 1 23 LYS HZ3 H 19.305 -1.237 -4.211 1.00 . A X . 23 LYS HZ3 1 1 8 3419 1 1 23 LYS N N 15.721 -1.111 0.990 1.00 . A X . 23 LYS N 1 1 8 3420 1 1 23 LYS NZ N 19.855 -2.002 -3.763 1.00 . A X . 23 LYS NZ 1 1 8 3421 1 1 23 LYS O O 17.781 0.649 0.108 1.00 . A X . 23 LYS O 1 1 8 3422 1 1 24 ALA C C 20.725 0.042 -1.046 1.00 . A X . 24 ALA C 1 1 8 3423 1 1 24 ALA CA C 20.335 -0.351 0.371 1.00 . A X . 24 ALA CA 1 1 8 3424 1 1 24 ALA CB C 21.453 -1.129 1.042 1.00 . A X . 24 ALA CB 1 1 8 3425 1 1 24 ALA H H 19.168 -2.105 0.471 1.00 . A X . 24 ALA H 1 1 8 3426 1 1 24 ALA HA H 20.146 0.545 0.947 1.00 . A X . 24 ALA HA 1 1 8 3427 1 1 24 ALA HB1 H 22.343 -0.518 1.085 1.00 . A X . 24 ALA HB1 1 1 8 3428 1 1 24 ALA HB2 H 21.658 -2.024 0.475 1.00 . A X . 24 ALA HB2 1 1 8 3429 1 1 24 ALA HB3 H 21.152 -1.400 2.044 1.00 . A X . 24 ALA HB3 1 1 8 3430 1 1 24 ALA N N 19.116 -1.135 0.345 1.00 . A X . 24 ALA N 1 1 8 3431 1 1 24 ALA O O 21.209 -0.836 -1.789 1.00 . A X . 24 ALA O 1 1 8 3432 1 1 24 ALA OXT O 20.522 1.217 -1.421 1.00 . A X . 24 ALA OXT 1 1 9 3433 1 1 1 LYS C C -17.942 0.312 -14.978 1.00 . A X . 1 LYS C 1 1 9 3434 1 1 1 LYS CA C -17.831 -0.743 -16.075 1.00 . A X . 1 LYS CA 1 1 9 3435 1 1 1 LYS CB C -19.227 -1.074 -16.607 1.00 . A X . 1 LYS CB 1 1 9 3436 1 1 1 LYS CD C -20.630 -2.372 -18.237 1.00 . A X . 1 LYS CD 1 1 9 3437 1 1 1 LYS CE C -21.421 -3.139 -17.189 1.00 . A X . 1 LYS CE 1 1 9 3438 1 1 1 LYS CG C -19.222 -2.056 -17.763 1.00 . A X . 1 LYS CG 1 1 9 3439 1 1 1 LYS H1 H -17.087 -2.678 -16.322 1.00 . A X . 1 LYS H1 1 1 9 3440 1 1 1 LYS H2 H -17.740 -2.381 -14.789 1.00 . A X . 1 LYS H2 1 1 9 3441 1 1 1 LYS H3 H -16.222 -1.740 -15.202 1.00 . A X . 1 LYS H3 1 1 9 3442 1 1 1 LYS HA H -17.228 -0.345 -16.882 1.00 . A X . 1 LYS HA 1 1 9 3443 1 1 1 LYS HB2 H -19.809 -1.502 -15.805 1.00 . A X . 1 LYS HB2 1 1 9 3444 1 1 1 LYS HB3 H -19.703 -0.164 -16.938 1.00 . A X . 1 LYS HB3 1 1 9 3445 1 1 1 LYS HD2 H -21.146 -1.447 -18.451 1.00 . A X . 1 LYS HD2 1 1 9 3446 1 1 1 LYS HD3 H -20.570 -2.969 -19.137 1.00 . A X . 1 LYS HD3 1 1 9 3447 1 1 1 LYS HE2 H -20.911 -4.068 -16.980 1.00 . A X . 1 LYS HE2 1 1 9 3448 1 1 1 LYS HE3 H -21.472 -2.546 -16.285 1.00 . A X . 1 LYS HE3 1 1 9 3449 1 1 1 LYS HG2 H -18.665 -1.628 -18.585 1.00 . A X . 1 LYS HG2 1 1 9 3450 1 1 1 LYS HG3 H -18.745 -2.971 -17.442 1.00 . A X . 1 LYS HG3 1 1 9 3451 1 1 1 LYS HZ1 H -22.775 -3.885 -18.592 1.00 . A X . 1 LYS HZ1 1 1 9 3452 1 1 1 LYS HZ2 H -23.363 -2.570 -17.700 1.00 . A X . 1 LYS HZ2 1 1 9 3453 1 1 1 LYS HZ3 H -23.266 -4.099 -16.983 1.00 . A X . 1 LYS HZ3 1 1 9 3454 1 1 1 LYS N N -17.175 -1.969 -15.562 1.00 . A X . 1 LYS N 1 1 9 3455 1 1 1 LYS NZ N -22.801 -3.443 -17.647 1.00 . A X . 1 LYS NZ 1 1 9 3456 1 1 1 LYS O O -18.261 1.473 -15.248 1.00 . A X . 1 LYS O 1 1 9 3457 1 1 2 LYS C C -16.519 1.330 -12.092 1.00 . A X . 2 LYS C 1 1 9 3458 1 1 2 LYS CA C -17.853 0.802 -12.603 1.00 . A X . 2 LYS CA 1 1 9 3459 1 1 2 LYS CB C -18.581 0.067 -11.477 1.00 . A X . 2 LYS CB 1 1 9 3460 1 1 2 LYS CD C -20.646 -1.120 -10.681 1.00 . A X . 2 LYS CD 1 1 9 3461 1 1 2 LYS CE C -20.718 -0.208 -9.468 1.00 . A X . 2 LYS CE 1 1 9 3462 1 1 2 LYS CG C -19.970 -0.426 -11.854 1.00 . A X . 2 LYS CG 1 1 9 3463 1 1 2 LYS H H -17.335 -0.996 -13.585 1.00 . A X . 2 LYS H 1 1 9 3464 1 1 2 LYS HA H -18.455 1.636 -12.924 1.00 . A X . 2 LYS HA 1 1 9 3465 1 1 2 LYS HB2 H -17.990 -0.789 -11.180 1.00 . A X . 2 LYS HB2 1 1 9 3466 1 1 2 LYS HB3 H -18.677 0.735 -10.634 1.00 . A X . 2 LYS HB3 1 1 9 3467 1 1 2 LYS HD2 H -21.647 -1.401 -10.968 1.00 . A X . 2 LYS HD2 1 1 9 3468 1 1 2 LYS HD3 H -20.080 -2.003 -10.423 1.00 . A X . 2 LYS HD3 1 1 9 3469 1 1 2 LYS HE2 H -21.157 -0.755 -8.648 1.00 . A X . 2 LYS HE2 1 1 9 3470 1 1 2 LYS HE3 H -19.715 0.094 -9.201 1.00 . A X . 2 LYS HE3 1 1 9 3471 1 1 2 LYS HG2 H -20.572 0.419 -12.158 1.00 . A X . 2 LYS HG2 1 1 9 3472 1 1 2 LYS HG3 H -19.884 -1.123 -12.676 1.00 . A X . 2 LYS HG3 1 1 9 3473 1 1 2 LYS HZ1 H -21.448 1.293 -10.727 1.00 . A X . 2 LYS HZ1 1 1 9 3474 1 1 2 LYS HZ2 H -21.204 1.795 -9.127 1.00 . A X . 2 LYS HZ2 1 1 9 3475 1 1 2 LYS HZ3 H -22.540 0.822 -9.516 1.00 . A X . 2 LYS HZ3 1 1 9 3476 1 1 2 LYS N N -17.670 -0.085 -13.741 1.00 . A X . 2 LYS N 1 1 9 3477 1 1 2 LYS NZ N -21.535 1.007 -9.728 1.00 . A X . 2 LYS NZ 1 1 9 3478 1 1 2 LYS O O -16.474 2.073 -11.112 1.00 . A X . 2 LYS O 1 1 9 3479 1 1 3 LEU C C -13.385 2.130 -13.417 1.00 . A X . 3 LEU C 1 1 9 3480 1 1 3 LEU CA C -14.117 1.379 -12.316 1.00 . A X . 3 LEU CA 1 1 9 3481 1 1 3 LEU CB C -13.299 0.163 -11.874 1.00 . A X . 3 LEU CB 1 1 9 3482 1 1 3 LEU CD1 C -11.998 1.380 -10.109 1.00 . A X . 3 LEU CD1 1 1 9 3483 1 1 3 LEU CD2 C -11.169 -0.808 -10.979 1.00 . A X . 3 LEU CD2 1 1 9 3484 1 1 3 LEU CG C -11.904 0.476 -11.328 1.00 . A X . 3 LEU CG 1 1 9 3485 1 1 3 LEU H H -15.520 0.405 -13.562 1.00 . A X . 3 LEU H 1 1 9 3486 1 1 3 LEU HA H -14.246 2.039 -11.472 1.00 . A X . 3 LEU HA 1 1 9 3487 1 1 3 LEU HB2 H -13.857 -0.357 -11.108 1.00 . A X . 3 LEU HB2 1 1 9 3488 1 1 3 LEU HB3 H -13.190 -0.494 -12.723 1.00 . A X . 3 LEU HB3 1 1 9 3489 1 1 3 LEU HD11 H -12.590 0.895 -9.349 1.00 . A X . 3 LEU HD11 1 1 9 3490 1 1 3 LEU HD12 H -12.465 2.315 -10.390 1.00 . A X . 3 LEU HD12 1 1 9 3491 1 1 3 LEU HD13 H -11.008 1.571 -9.724 1.00 . A X . 3 LEU HD13 1 1 9 3492 1 1 3 LEU HD21 H -10.190 -0.569 -10.590 1.00 . A X . 3 LEU HD21 1 1 9 3493 1 1 3 LEU HD22 H -11.065 -1.416 -11.864 1.00 . A X . 3 LEU HD22 1 1 9 3494 1 1 3 LEU HD23 H -11.732 -1.352 -10.233 1.00 . A X . 3 LEU HD23 1 1 9 3495 1 1 3 LEU HG H -11.333 0.994 -12.086 1.00 . A X . 3 LEU HG 1 1 9 3496 1 1 3 LEU N N -15.435 0.965 -12.756 1.00 . A X . 3 LEU N 1 1 9 3497 1 1 3 LEU O O -13.014 1.553 -14.440 1.00 . A X . 3 LEU O 1 1 9 3498 1 1 4 LYS C C -11.304 4.956 -13.321 1.00 . A X . 4 LYS C 1 1 9 3499 1 1 4 LYS CA C -12.385 4.228 -14.113 1.00 . A X . 4 LYS CA 1 1 9 3500 1 1 4 LYS CB C -13.254 5.217 -14.898 1.00 . A X . 4 LYS CB 1 1 9 3501 1 1 4 LYS CD C -14.923 7.085 -14.898 1.00 . A X . 4 LYS CD 1 1 9 3502 1 1 4 LYS CE C -15.718 8.070 -14.061 1.00 . A X . 4 LYS CE 1 1 9 3503 1 1 4 LYS CG C -14.068 6.169 -14.035 1.00 . A X . 4 LYS CG 1 1 9 3504 1 1 4 LYS H H -13.623 3.852 -12.438 1.00 . A X . 4 LYS H 1 1 9 3505 1 1 4 LYS HA H -11.906 3.554 -14.812 1.00 . A X . 4 LYS HA 1 1 9 3506 1 1 4 LYS HB2 H -12.613 5.809 -15.533 1.00 . A X . 4 LYS HB2 1 1 9 3507 1 1 4 LYS HB3 H -13.939 4.658 -15.520 1.00 . A X . 4 LYS HB3 1 1 9 3508 1 1 4 LYS HD2 H -14.277 7.638 -15.564 1.00 . A X . 4 LYS HD2 1 1 9 3509 1 1 4 LYS HD3 H -15.606 6.481 -15.477 1.00 . A X . 4 LYS HD3 1 1 9 3510 1 1 4 LYS HE2 H -15.029 8.673 -13.488 1.00 . A X . 4 LYS HE2 1 1 9 3511 1 1 4 LYS HE3 H -16.287 8.707 -14.722 1.00 . A X . 4 LYS HE3 1 1 9 3512 1 1 4 LYS HG2 H -14.713 5.594 -13.385 1.00 . A X . 4 LYS HG2 1 1 9 3513 1 1 4 LYS HG3 H -13.396 6.772 -13.440 1.00 . A X . 4 LYS HG3 1 1 9 3514 1 1 4 LYS HZ1 H -16.111 6.853 -12.407 1.00 . A X . 4 LYS HZ1 1 1 9 3515 1 1 4 LYS HZ2 H -17.271 6.730 -13.641 1.00 . A X . 4 LYS HZ2 1 1 9 3516 1 1 4 LYS HZ3 H -17.244 8.095 -12.633 1.00 . A X . 4 LYS HZ3 1 1 9 3517 1 1 4 LYS N N -13.198 3.422 -13.211 1.00 . A X . 4 LYS N 1 1 9 3518 1 1 4 LYS NZ N -16.650 7.389 -13.122 1.00 . A X . 4 LYS NZ 1 1 9 3519 1 1 4 LYS O O -10.719 5.939 -13.779 1.00 . A X . 4 LYS O 1 1 9 3520 1 1 5 LEU C C -8.886 3.998 -11.129 1.00 . A X . 5 LEU C 1 1 9 3521 1 1 5 LEU CA C -10.023 4.994 -11.255 1.00 . A X . 5 LEU CA 1 1 9 3522 1 1 5 LEU CB C -10.605 5.294 -9.870 1.00 . A X . 5 LEU CB 1 1 9 3523 1 1 5 LEU CD1 C -12.330 6.417 -8.452 1.00 . A X . 5 LEU CD1 1 1 9 3524 1 1 5 LEU CD2 C -11.195 7.697 -10.264 1.00 . A X . 5 LEU CD2 1 1 9 3525 1 1 5 LEU CG C -11.722 6.335 -9.840 1.00 . A X . 5 LEU CG 1 1 9 3526 1 1 5 LEU H H -11.537 3.658 -11.833 1.00 . A X . 5 LEU H 1 1 9 3527 1 1 5 LEU HA H -9.650 5.907 -11.693 1.00 . A X . 5 LEU HA 1 1 9 3528 1 1 5 LEU HB2 H -10.993 4.373 -9.461 1.00 . A X . 5 LEU HB2 1 1 9 3529 1 1 5 LEU HB3 H -9.803 5.640 -9.234 1.00 . A X . 5 LEU HB3 1 1 9 3530 1 1 5 LEU HD11 H -11.573 6.725 -7.748 1.00 . A X . 5 LEU HD11 1 1 9 3531 1 1 5 LEU HD12 H -12.713 5.447 -8.169 1.00 . A X . 5 LEU HD12 1 1 9 3532 1 1 5 LEU HD13 H -13.134 7.137 -8.454 1.00 . A X . 5 LEU HD13 1 1 9 3533 1 1 5 LEU HD21 H -11.977 8.434 -10.156 1.00 . A X . 5 LEU HD21 1 1 9 3534 1 1 5 LEU HD22 H -10.878 7.656 -11.297 1.00 . A X . 5 LEU HD22 1 1 9 3535 1 1 5 LEU HD23 H -10.358 7.967 -9.641 1.00 . A X . 5 LEU HD23 1 1 9 3536 1 1 5 LEU HG H -12.499 6.045 -10.531 1.00 . A X . 5 LEU HG 1 1 9 3537 1 1 5 LEU N N -11.045 4.447 -12.128 1.00 . A X . 5 LEU N 1 1 9 3538 1 1 5 LEU O O -9.106 2.839 -10.781 1.00 . A X . 5 LEU O 1 1 9 3539 1 1 6 ALA C C -5.598 4.035 -10.216 1.00 . A X . 6 ALA C 1 1 9 3540 1 1 6 ALA CA C -6.515 3.590 -11.348 1.00 . A X . 6 ALA CA 1 1 9 3541 1 1 6 ALA CB C -5.770 3.590 -12.672 1.00 . A X . 6 ALA CB 1 1 9 3542 1 1 6 ALA H H -7.579 5.380 -11.720 1.00 . A X . 6 ALA H 1 1 9 3543 1 1 6 ALA HA H -6.849 2.583 -11.151 1.00 . A X . 6 ALA HA 1 1 9 3544 1 1 6 ALA HB1 H -5.392 4.580 -12.872 1.00 . A X . 6 ALA HB1 1 1 9 3545 1 1 6 ALA HB2 H -6.441 3.291 -13.465 1.00 . A X . 6 ALA HB2 1 1 9 3546 1 1 6 ALA HB3 H -4.944 2.896 -12.619 1.00 . A X . 6 ALA HB3 1 1 9 3547 1 1 6 ALA N N -7.684 4.445 -11.430 1.00 . A X . 6 ALA N 1 1 9 3548 1 1 6 ALA O O -4.765 4.928 -10.396 1.00 . A X . 6 ALA O 1 1 9 3549 1 1 7 PRO C C -3.744 2.835 -7.699 1.00 . A X . 7 PRO C 1 1 9 3550 1 1 7 PRO CA C -4.946 3.764 -7.864 1.00 . A X . 7 PRO CA 1 1 9 3551 1 1 7 PRO CB C -5.941 3.550 -6.732 1.00 . A X . 7 PRO CB 1 1 9 3552 1 1 7 PRO CD C -6.730 2.385 -8.706 1.00 . A X . 7 PRO CD 1 1 9 3553 1 1 7 PRO CG C -6.810 2.420 -7.196 1.00 . A X . 7 PRO CG 1 1 9 3554 1 1 7 PRO HA H -4.622 4.792 -7.877 1.00 . A X . 7 PRO HA 1 1 9 3555 1 1 7 PRO HB2 H -5.409 3.295 -5.828 1.00 . A X . 7 PRO HB2 1 1 9 3556 1 1 7 PRO HB3 H -6.516 4.450 -6.579 1.00 . A X . 7 PRO HB3 1 1 9 3557 1 1 7 PRO HD2 H -6.382 1.418 -9.044 1.00 . A X . 7 PRO HD2 1 1 9 3558 1 1 7 PRO HD3 H -7.693 2.611 -9.139 1.00 . A X . 7 PRO HD3 1 1 9 3559 1 1 7 PRO HG2 H -6.450 1.491 -6.782 1.00 . A X . 7 PRO HG2 1 1 9 3560 1 1 7 PRO HG3 H -7.828 2.597 -6.884 1.00 . A X . 7 PRO HG3 1 1 9 3561 1 1 7 PRO N N -5.748 3.432 -9.027 1.00 . A X . 7 PRO N 1 1 9 3562 1 1 7 PRO O O -3.286 2.589 -6.583 1.00 . A X . 7 PRO O 1 1 9 3563 1 1 8 ALA C C -0.909 1.928 -8.094 1.00 . A X . 8 ALA C 1 1 9 3564 1 1 8 ALA CA C -2.137 1.366 -8.804 1.00 . A X . 8 ALA CA 1 1 9 3565 1 1 8 ALA CB C -1.784 0.951 -10.225 1.00 . A X . 8 ALA CB 1 1 9 3566 1 1 8 ALA H H -3.608 2.616 -9.679 1.00 . A X . 8 ALA H 1 1 9 3567 1 1 8 ALA HA H -2.475 0.490 -8.273 1.00 . A X . 8 ALA HA 1 1 9 3568 1 1 8 ALA HB1 H -2.656 0.539 -10.706 1.00 . A X . 8 ALA HB1 1 1 9 3569 1 1 8 ALA HB2 H -1.000 0.208 -10.200 1.00 . A X . 8 ALA HB2 1 1 9 3570 1 1 8 ALA HB3 H -1.442 1.814 -10.778 1.00 . A X . 8 ALA HB3 1 1 9 3571 1 1 8 ALA N N -3.236 2.329 -8.818 1.00 . A X . 8 ALA N 1 1 9 3572 1 1 8 ALA O O -0.351 1.295 -7.197 1.00 . A X . 8 ALA O 1 1 9 3573 1 1 9 LYS C C 0.314 4.540 -6.630 1.00 . A X . 9 LYS C 1 1 9 3574 1 1 9 LYS CA C 0.673 3.771 -7.903 1.00 . A X . 9 LYS CA 1 1 9 3575 1 1 9 LYS CB C 1.313 4.724 -8.920 1.00 . A X . 9 LYS CB 1 1 9 3576 1 1 9 LYS CD C 3.007 3.102 -9.850 1.00 . A X . 9 LYS CD 1 1 9 3577 1 1 9 LYS CE C 4.199 3.862 -9.285 1.00 . A X . 9 LYS CE 1 1 9 3578 1 1 9 LYS CG C 1.845 4.032 -10.166 1.00 . A X . 9 LYS CG 1 1 9 3579 1 1 9 LYS H H -1.002 3.599 -9.196 1.00 . A X . 9 LYS H 1 1 9 3580 1 1 9 LYS HA H 1.384 2.996 -7.653 1.00 . A X . 9 LYS HA 1 1 9 3581 1 1 9 LYS HB2 H 0.573 5.449 -9.225 1.00 . A X . 9 LYS HB2 1 1 9 3582 1 1 9 LYS HB3 H 2.133 5.240 -8.443 1.00 . A X . 9 LYS HB3 1 1 9 3583 1 1 9 LYS HD2 H 2.684 2.370 -9.125 1.00 . A X . 9 LYS HD2 1 1 9 3584 1 1 9 LYS HD3 H 3.310 2.602 -10.758 1.00 . A X . 9 LYS HD3 1 1 9 3585 1 1 9 LYS HE2 H 4.518 4.594 -10.012 1.00 . A X . 9 LYS HE2 1 1 9 3586 1 1 9 LYS HE3 H 3.893 4.365 -8.380 1.00 . A X . 9 LYS HE3 1 1 9 3587 1 1 9 LYS HG2 H 1.048 3.453 -10.609 1.00 . A X . 9 LYS HG2 1 1 9 3588 1 1 9 LYS HG3 H 2.179 4.783 -10.867 1.00 . A X . 9 LYS HG3 1 1 9 3589 1 1 9 LYS HZ1 H 6.094 3.493 -8.491 1.00 . A X . 9 LYS HZ1 1 1 9 3590 1 1 9 LYS HZ2 H 5.724 2.556 -9.855 1.00 . A X . 9 LYS HZ2 1 1 9 3591 1 1 9 LYS HZ3 H 5.025 2.182 -8.358 1.00 . A X . 9 LYS HZ3 1 1 9 3592 1 1 9 LYS N N -0.502 3.129 -8.484 1.00 . A X . 9 LYS N 1 1 9 3593 1 1 9 LYS NZ N 5.340 2.962 -8.977 1.00 . A X . 9 LYS NZ 1 1 9 3594 1 1 9 LYS O O 1.150 5.241 -6.060 1.00 . A X . 9 LYS O 1 1 9 3595 1 1 10 LEU C C -1.611 4.180 -3.828 1.00 . A X . 10 LEU C 1 1 9 3596 1 1 10 LEU CA C -1.398 5.127 -5.008 1.00 . A X . 10 LEU CA 1 1 9 3597 1 1 10 LEU CB C -2.699 5.872 -5.327 1.00 . A X . 10 LEU CB 1 1 9 3598 1 1 10 LEU CD1 C -2.306 7.817 -3.792 1.00 . A X . 10 LEU CD1 1 1 9 3599 1 1 10 LEU CD2 C -4.626 7.287 -4.582 1.00 . A X . 10 LEU CD2 1 1 9 3600 1 1 10 LEU CG C -3.274 6.711 -4.184 1.00 . A X . 10 LEU CG 1 1 9 3601 1 1 10 LEU H H -1.542 3.797 -6.653 1.00 . A X . 10 LEU H 1 1 9 3602 1 1 10 LEU HA H -0.639 5.847 -4.740 1.00 . A X . 10 LEU HA 1 1 9 3603 1 1 10 LEU HB2 H -2.515 6.529 -6.165 1.00 . A X . 10 LEU HB2 1 1 9 3604 1 1 10 LEU HB3 H -3.443 5.146 -5.617 1.00 . A X . 10 LEU HB3 1 1 9 3605 1 1 10 LEU HD11 H -2.082 8.421 -4.658 1.00 . A X . 10 LEU HD11 1 1 9 3606 1 1 10 LEU HD12 H -1.393 7.377 -3.415 1.00 . A X . 10 LEU HD12 1 1 9 3607 1 1 10 LEU HD13 H -2.750 8.435 -3.027 1.00 . A X . 10 LEU HD13 1 1 9 3608 1 1 10 LEU HD21 H -4.504 7.929 -5.442 1.00 . A X . 10 LEU HD21 1 1 9 3609 1 1 10 LEU HD22 H -5.033 7.859 -3.761 1.00 . A X . 10 LEU HD22 1 1 9 3610 1 1 10 LEU HD23 H -5.300 6.480 -4.829 1.00 . A X . 10 LEU HD23 1 1 9 3611 1 1 10 LEU HG H -3.421 6.078 -3.320 1.00 . A X . 10 LEU HG 1 1 9 3612 1 1 10 LEU N N -0.929 4.403 -6.184 1.00 . A X . 10 LEU N 1 1 9 3613 1 1 10 LEU O O -1.201 4.471 -2.702 1.00 . A X . 10 LEU O 1 1 9 3614 1 1 11 ALA C C -1.376 1.218 -2.706 1.00 . A X . 11 ALA C 1 1 9 3615 1 1 11 ALA CA C -2.578 2.087 -3.048 1.00 . A X . 11 ALA CA 1 1 9 3616 1 1 11 ALA CB C -3.755 1.218 -3.472 1.00 . A X . 11 ALA CB 1 1 9 3617 1 1 11 ALA H H -2.525 2.854 -5.019 1.00 . A X . 11 ALA H 1 1 9 3618 1 1 11 ALA HA H -2.871 2.639 -2.165 1.00 . A X . 11 ALA HA 1 1 9 3619 1 1 11 ALA HB1 H -3.479 0.638 -4.342 1.00 . A X . 11 ALA HB1 1 1 9 3620 1 1 11 ALA HB2 H -4.600 1.846 -3.712 1.00 . A X . 11 ALA HB2 1 1 9 3621 1 1 11 ALA HB3 H -4.018 0.551 -2.666 1.00 . A X . 11 ALA HB3 1 1 9 3622 1 1 11 ALA N N -2.255 3.049 -4.093 1.00 . A X . 11 ALA N 1 1 9 3623 1 1 11 ALA O O -1.165 0.857 -1.549 1.00 . A X . 11 ALA O 1 1 9 3624 1 1 12 LEU C C 1.807 0.834 -3.124 1.00 . A X . 12 LEU C 1 1 9 3625 1 1 12 LEU CA C 0.572 0.023 -3.523 1.00 . A X . 12 LEU CA 1 1 9 3626 1 1 12 LEU CB C 0.830 -0.767 -4.809 1.00 . A X . 12 LEU CB 1 1 9 3627 1 1 12 LEU CD1 C 1.183 -2.999 -3.723 1.00 . A X . 12 LEU CD1 1 1 9 3628 1 1 12 LEU CD2 C 2.060 -2.580 -6.029 1.00 . A X . 12 LEU CD2 1 1 9 3629 1 1 12 LEU CG C 1.774 -1.964 -4.667 1.00 . A X . 12 LEU CG 1 1 9 3630 1 1 12 LEU H H -0.759 1.264 -4.605 1.00 . A X . 12 LEU H 1 1 9 3631 1 1 12 LEU HA H 0.336 -0.665 -2.729 1.00 . A X . 12 LEU HA 1 1 9 3632 1 1 12 LEU HB2 H -0.119 -1.130 -5.179 1.00 . A X . 12 LEU HB2 1 1 9 3633 1 1 12 LEU HB3 H 1.247 -0.096 -5.544 1.00 . A X . 12 LEU HB3 1 1 9 3634 1 1 12 LEU HD11 H 0.208 -3.295 -4.078 1.00 . A X . 12 LEU HD11 1 1 9 3635 1 1 12 LEU HD12 H 1.092 -2.574 -2.734 1.00 . A X . 12 LEU HD12 1 1 9 3636 1 1 12 LEU HD13 H 1.830 -3.862 -3.684 1.00 . A X . 12 LEU HD13 1 1 9 3637 1 1 12 LEU HD21 H 2.508 -1.839 -6.674 1.00 . A X . 12 LEU HD21 1 1 9 3638 1 1 12 LEU HD22 H 1.138 -2.930 -6.468 1.00 . A X . 12 LEU HD22 1 1 9 3639 1 1 12 LEU HD23 H 2.741 -3.411 -5.912 1.00 . A X . 12 LEU HD23 1 1 9 3640 1 1 12 LEU HG H 2.710 -1.628 -4.248 1.00 . A X . 12 LEU HG 1 1 9 3641 1 1 12 LEU N N -0.576 0.901 -3.713 1.00 . A X . 12 LEU N 1 1 9 3642 1 1 12 LEU O O 2.883 0.691 -3.708 1.00 . A X . 12 LEU O 1 1 9 3643 1 1 13 LEU C C 3.832 1.763 -0.971 1.00 . A X . 13 LEU C 1 1 9 3644 1 1 13 LEU CA C 2.727 2.554 -1.664 1.00 . A X . 13 LEU CA 1 1 9 3645 1 1 13 LEU CB C 2.207 3.647 -0.717 1.00 . A X . 13 LEU CB 1 1 9 3646 1 1 13 LEU CD1 C 1.724 4.368 1.636 1.00 . A X . 13 LEU CD1 1 1 9 3647 1 1 13 LEU CD2 C 0.422 2.493 0.647 1.00 . A X . 13 LEU CD2 1 1 9 3648 1 1 13 LEU CG C 1.777 3.184 0.686 1.00 . A X . 13 LEU CG 1 1 9 3649 1 1 13 LEU H H 0.781 1.710 -1.650 1.00 . A X . 13 LEU H 1 1 9 3650 1 1 13 LEU HA H 3.143 3.027 -2.542 1.00 . A X . 13 LEU HA 1 1 9 3651 1 1 13 LEU HB2 H 2.986 4.385 -0.600 1.00 . A X . 13 LEU HB2 1 1 9 3652 1 1 13 LEU HB3 H 1.358 4.119 -1.188 1.00 . A X . 13 LEU HB3 1 1 9 3653 1 1 13 LEU HD11 H 1.019 5.096 1.265 1.00 . A X . 13 LEU HD11 1 1 9 3654 1 1 13 LEU HD12 H 2.703 4.817 1.707 1.00 . A X . 13 LEU HD12 1 1 9 3655 1 1 13 LEU HD13 H 1.411 4.032 2.614 1.00 . A X . 13 LEU HD13 1 1 9 3656 1 1 13 LEU HD21 H 0.157 2.162 1.641 1.00 . A X . 13 LEU HD21 1 1 9 3657 1 1 13 LEU HD22 H 0.470 1.640 -0.015 1.00 . A X . 13 LEU HD22 1 1 9 3658 1 1 13 LEU HD23 H -0.324 3.185 0.287 1.00 . A X . 13 LEU HD23 1 1 9 3659 1 1 13 LEU HG H 2.504 2.480 1.069 1.00 . A X . 13 LEU HG 1 1 9 3660 1 1 13 LEU N N 1.647 1.677 -2.109 1.00 . A X . 13 LEU N 1 1 9 3661 1 1 13 LEU O O 4.991 2.175 -0.966 1.00 . A X . 13 LEU O 1 1 9 3662 1 1 14 TRP C C 5.597 -0.617 -0.503 1.00 . A X . 14 TRP C 1 1 9 3663 1 1 14 TRP CA C 4.407 -0.202 0.352 1.00 . A X . 14 TRP CA 1 1 9 3664 1 1 14 TRP CB C 3.710 -1.445 0.899 1.00 . A X . 14 TRP CB 1 1 9 3665 1 1 14 TRP CD1 C 2.788 -0.652 3.146 1.00 . A X . 14 TRP CD1 1 1 9 3666 1 1 14 TRP CD2 C 1.215 -1.272 1.680 1.00 . A X . 14 TRP CD2 1 1 9 3667 1 1 14 TRP CE2 C 0.583 -0.857 2.867 1.00 . A X . 14 TRP CE2 1 1 9 3668 1 1 14 TRP CE3 C 0.423 -1.709 0.616 1.00 . A X . 14 TRP CE3 1 1 9 3669 1 1 14 TRP CG C 2.627 -1.128 1.880 1.00 . A X . 14 TRP CG 1 1 9 3670 1 1 14 TRP CH2 C -1.552 -1.297 1.959 1.00 . A X . 14 TRP CH2 1 1 9 3671 1 1 14 TRP CZ2 C -0.802 -0.867 3.019 1.00 . A X . 14 TRP CZ2 1 1 9 3672 1 1 14 TRP CZ3 C -0.952 -1.714 0.765 1.00 . A X . 14 TRP CZ3 1 1 9 3673 1 1 14 TRP H H 2.536 0.327 -0.482 1.00 . A X . 14 TRP H 1 1 9 3674 1 1 14 TRP HA H 4.765 0.388 1.182 1.00 . A X . 14 TRP HA 1 1 9 3675 1 1 14 TRP HB2 H 3.268 -1.995 0.080 1.00 . A X . 14 TRP HB2 1 1 9 3676 1 1 14 TRP HB3 H 4.439 -2.071 1.393 1.00 . A X . 14 TRP HB3 1 1 9 3677 1 1 14 TRP HD1 H 3.746 -0.439 3.599 1.00 . A X . 14 TRP HD1 1 1 9 3678 1 1 14 TRP HE1 H 1.422 -0.150 4.664 1.00 . A X . 14 TRP HE1 1 1 9 3679 1 1 14 TRP HE3 H 0.869 -2.034 -0.312 1.00 . A X . 14 TRP HE3 1 1 9 3680 1 1 14 TRP HH2 H -2.629 -1.319 2.031 1.00 . A X . 14 TRP HH2 1 1 9 3681 1 1 14 TRP HZ2 H -1.280 -0.544 3.930 1.00 . A X . 14 TRP HZ2 1 1 9 3682 1 1 14 TRP HZ3 H -1.580 -2.048 -0.048 1.00 . A X . 14 TRP HZ3 1 1 9 3683 1 1 14 TRP N N 3.466 0.621 -0.400 1.00 . A X . 14 TRP N 1 1 9 3684 1 1 14 TRP NE1 N 1.566 -0.484 3.746 1.00 . A X . 14 TRP NE1 1 1 9 3685 1 1 14 TRP O O 6.742 -0.540 -0.062 1.00 . A X . 14 TRP O 1 1 9 3686 1 1 15 LYS C C 7.265 -0.369 -3.086 1.00 . A X . 15 LYS C 1 1 9 3687 1 1 15 LYS CA C 6.372 -1.515 -2.624 1.00 . A X . 15 LYS CA 1 1 9 3688 1 1 15 LYS CB C 5.760 -2.233 -3.829 1.00 . A X . 15 LYS CB 1 1 9 3689 1 1 15 LYS CD C 5.459 -4.438 -2.621 1.00 . A X . 15 LYS CD 1 1 9 3690 1 1 15 LYS CE C 4.445 -5.484 -2.187 1.00 . A X . 15 LYS CE 1 1 9 3691 1 1 15 LYS CG C 4.793 -3.346 -3.449 1.00 . A X . 15 LYS CG 1 1 9 3692 1 1 15 LYS H H 4.399 -0.993 -2.058 1.00 . A X . 15 LYS H 1 1 9 3693 1 1 15 LYS HA H 6.972 -2.219 -2.068 1.00 . A X . 15 LYS HA 1 1 9 3694 1 1 15 LYS HB2 H 5.225 -1.513 -4.431 1.00 . A X . 15 LYS HB2 1 1 9 3695 1 1 15 LYS HB3 H 6.557 -2.663 -4.418 1.00 . A X . 15 LYS HB3 1 1 9 3696 1 1 15 LYS HD2 H 6.224 -4.914 -3.215 1.00 . A X . 15 LYS HD2 1 1 9 3697 1 1 15 LYS HD3 H 5.902 -3.993 -1.744 1.00 . A X . 15 LYS HD3 1 1 9 3698 1 1 15 LYS HE2 H 3.698 -5.007 -1.574 1.00 . A X . 15 LYS HE2 1 1 9 3699 1 1 15 LYS HE3 H 3.975 -5.893 -3.068 1.00 . A X . 15 LYS HE3 1 1 9 3700 1 1 15 LYS HG2 H 3.984 -2.922 -2.876 1.00 . A X . 15 LYS HG2 1 1 9 3701 1 1 15 LYS HG3 H 4.399 -3.786 -4.354 1.00 . A X . 15 LYS HG3 1 1 9 3702 1 1 15 LYS HZ1 H 5.732 -7.122 -2.019 1.00 . A X . 15 LYS HZ1 1 1 9 3703 1 1 15 LYS HZ2 H 4.327 -7.245 -1.074 1.00 . A X . 15 LYS HZ2 1 1 9 3704 1 1 15 LYS HZ3 H 5.585 -6.214 -0.592 1.00 . A X . 15 LYS HZ3 1 1 9 3705 1 1 15 LYS N N 5.323 -1.027 -1.736 1.00 . A X . 15 LYS N 1 1 9 3706 1 1 15 LYS NZ N 5.066 -6.593 -1.415 1.00 . A X . 15 LYS NZ 1 1 9 3707 1 1 15 LYS O O 8.421 -0.568 -3.450 1.00 . A X . 15 LYS O 1 1 9 3708 1 1 16 ALA C C 8.358 2.516 -2.320 1.00 . A X . 16 ALA C 1 1 9 3709 1 1 16 ALA CA C 7.481 2.006 -3.458 1.00 . A X . 16 ALA CA 1 1 9 3710 1 1 16 ALA CB C 6.538 3.099 -3.936 1.00 . A X . 16 ALA CB 1 1 9 3711 1 1 16 ALA H H 5.802 0.942 -2.744 1.00 . A X . 16 ALA H 1 1 9 3712 1 1 16 ALA HA H 8.113 1.722 -4.284 1.00 . A X . 16 ALA HA 1 1 9 3713 1 1 16 ALA HB1 H 5.893 3.399 -3.122 1.00 . A X . 16 ALA HB1 1 1 9 3714 1 1 16 ALA HB2 H 5.938 2.722 -4.751 1.00 . A X . 16 ALA HB2 1 1 9 3715 1 1 16 ALA HB3 H 7.113 3.949 -4.273 1.00 . A X . 16 ALA HB3 1 1 9 3716 1 1 16 ALA N N 6.727 0.837 -3.052 1.00 . A X . 16 ALA N 1 1 9 3717 1 1 16 ALA O O 9.528 2.833 -2.522 1.00 . A X . 16 ALA O 1 1 9 3718 1 1 17 LEU C C 9.456 2.153 0.667 1.00 . A X . 17 LEU C 1 1 9 3719 1 1 17 LEU CA C 8.482 3.142 0.025 1.00 . A X . 17 LEU CA 1 1 9 3720 1 1 17 LEU CB C 7.463 3.609 1.069 1.00 . A X . 17 LEU CB 1 1 9 3721 1 1 17 LEU CD1 C 5.487 5.018 1.694 1.00 . A X . 17 LEU CD1 1 1 9 3722 1 1 17 LEU CD2 C 7.153 5.884 0.045 1.00 . A X . 17 LEU CD2 1 1 9 3723 1 1 17 LEU CG C 6.446 4.646 0.576 1.00 . A X . 17 LEU CG 1 1 9 3724 1 1 17 LEU H H 6.887 2.209 -1.008 1.00 . A X . 17 LEU H 1 1 9 3725 1 1 17 LEU HA H 9.040 3.997 -0.323 1.00 . A X . 17 LEU HA 1 1 9 3726 1 1 17 LEU HB2 H 6.920 2.744 1.422 1.00 . A X . 17 LEU HB2 1 1 9 3727 1 1 17 LEU HB3 H 8.002 4.036 1.900 1.00 . A X . 17 LEU HB3 1 1 9 3728 1 1 17 LEU HD11 H 6.042 5.438 2.520 1.00 . A X . 17 LEU HD11 1 1 9 3729 1 1 17 LEU HD12 H 4.958 4.134 2.027 1.00 . A X . 17 LEU HD12 1 1 9 3730 1 1 17 LEU HD13 H 4.777 5.745 1.330 1.00 . A X . 17 LEU HD13 1 1 9 3731 1 1 17 LEU HD21 H 6.420 6.596 -0.305 1.00 . A X . 17 LEU HD21 1 1 9 3732 1 1 17 LEU HD22 H 7.805 5.605 -0.774 1.00 . A X . 17 LEU HD22 1 1 9 3733 1 1 17 LEU HD23 H 7.738 6.331 0.833 1.00 . A X . 17 LEU HD23 1 1 9 3734 1 1 17 LEU HG H 5.867 4.216 -0.229 1.00 . A X . 17 LEU HG 1 1 9 3735 1 1 17 LEU N N 7.794 2.564 -1.122 1.00 . A X . 17 LEU N 1 1 9 3736 1 1 17 LEU O O 10.639 2.454 0.829 1.00 . A X . 17 LEU O 1 1 9 3737 1 1 18 ALA C C 10.957 -0.491 1.004 1.00 . A X . 18 ALA C 1 1 9 3738 1 1 18 ALA CA C 9.741 0.001 1.782 1.00 . A X . 18 ALA CA 1 1 9 3739 1 1 18 ALA CB C 8.872 -1.175 2.195 1.00 . A X . 18 ALA CB 1 1 9 3740 1 1 18 ALA H H 8.042 0.737 0.745 1.00 . A X . 18 ALA H 1 1 9 3741 1 1 18 ALA HA H 10.081 0.493 2.681 1.00 . A X . 18 ALA HA 1 1 9 3742 1 1 18 ALA HB1 H 8.544 -1.707 1.315 1.00 . A X . 18 ALA HB1 1 1 9 3743 1 1 18 ALA HB2 H 8.012 -0.813 2.737 1.00 . A X . 18 ALA HB2 1 1 9 3744 1 1 18 ALA HB3 H 9.441 -1.842 2.827 1.00 . A X . 18 ALA HB3 1 1 9 3745 1 1 18 ALA N N 8.959 0.970 1.014 1.00 . A X . 18 ALA N 1 1 9 3746 1 1 18 ALA O O 12.037 -0.669 1.569 1.00 . A X . 18 ALA O 1 1 9 3747 1 1 19 LEU C C 12.922 -0.136 -1.380 1.00 . A X . 19 LEU C 1 1 9 3748 1 1 19 LEU CA C 11.860 -1.202 -1.132 1.00 . A X . 19 LEU CA 1 1 9 3749 1 1 19 LEU CB C 11.315 -1.736 -2.463 1.00 . A X . 19 LEU CB 1 1 9 3750 1 1 19 LEU CD1 C 11.666 -4.144 -1.850 1.00 . A X . 19 LEU CD1 1 1 9 3751 1 1 19 LEU CD2 C 9.398 -3.129 -1.586 1.00 . A X . 19 LEU CD2 1 1 9 3752 1 1 19 LEU CG C 10.679 -3.133 -2.411 1.00 . A X . 19 LEU CG 1 1 9 3753 1 1 19 LEU H H 9.916 -0.483 -0.700 1.00 . A X . 19 LEU H 1 1 9 3754 1 1 19 LEU HA H 12.321 -2.020 -0.597 1.00 . A X . 19 LEU HA 1 1 9 3755 1 1 19 LEU HB2 H 10.573 -1.040 -2.821 1.00 . A X . 19 LEU HB2 1 1 9 3756 1 1 19 LEU HB3 H 12.129 -1.762 -3.171 1.00 . A X . 19 LEU HB3 1 1 9 3757 1 1 19 LEU HD11 H 11.201 -5.117 -1.807 1.00 . A X . 19 LEU HD11 1 1 9 3758 1 1 19 LEU HD12 H 11.966 -3.842 -0.857 1.00 . A X . 19 LEU HD12 1 1 9 3759 1 1 19 LEU HD13 H 12.535 -4.190 -2.490 1.00 . A X . 19 LEU HD13 1 1 9 3760 1 1 19 LEU HD21 H 8.707 -2.408 -2.000 1.00 . A X . 19 LEU HD21 1 1 9 3761 1 1 19 LEU HD22 H 9.628 -2.864 -0.567 1.00 . A X . 19 LEU HD22 1 1 9 3762 1 1 19 LEU HD23 H 8.949 -4.111 -1.612 1.00 . A X . 19 LEU HD23 1 1 9 3763 1 1 19 LEU HG H 10.428 -3.441 -3.417 1.00 . A X . 19 LEU HG 1 1 9 3764 1 1 19 LEU N N 10.785 -0.688 -0.295 1.00 . A X . 19 LEU N 1 1 9 3765 1 1 19 LEU O O 13.998 -0.433 -1.887 1.00 . A X . 19 LEU O 1 1 9 3766 1 1 20 LYS C C 14.248 2.400 0.261 1.00 . A X . 20 LYS C 1 1 9 3767 1 1 20 LYS CA C 13.612 2.174 -1.100 1.00 . A X . 20 LYS CA 1 1 9 3768 1 1 20 LYS CB C 12.999 3.473 -1.629 1.00 . A X . 20 LYS CB 1 1 9 3769 1 1 20 LYS CD C 13.801 2.936 -3.950 1.00 . A X . 20 LYS CD 1 1 9 3770 1 1 20 LYS CE C 13.447 2.881 -5.427 1.00 . A X . 20 LYS CE 1 1 9 3771 1 1 20 LYS CG C 12.625 3.401 -3.101 1.00 . A X . 20 LYS CG 1 1 9 3772 1 1 20 LYS H H 11.715 1.309 -0.704 1.00 . A X . 20 LYS H 1 1 9 3773 1 1 20 LYS HA H 14.381 1.850 -1.784 1.00 . A X . 20 LYS HA 1 1 9 3774 1 1 20 LYS HB2 H 12.108 3.699 -1.060 1.00 . A X . 20 LYS HB2 1 1 9 3775 1 1 20 LYS HB3 H 13.713 4.274 -1.499 1.00 . A X . 20 LYS HB3 1 1 9 3776 1 1 20 LYS HD2 H 14.621 3.625 -3.818 1.00 . A X . 20 LYS HD2 1 1 9 3777 1 1 20 LYS HD3 H 14.101 1.950 -3.624 1.00 . A X . 20 LYS HD3 1 1 9 3778 1 1 20 LYS HE2 H 14.261 2.419 -5.962 1.00 . A X . 20 LYS HE2 1 1 9 3779 1 1 20 LYS HE3 H 12.553 2.285 -5.549 1.00 . A X . 20 LYS HE3 1 1 9 3780 1 1 20 LYS HG2 H 11.808 2.706 -3.221 1.00 . A X . 20 LYS HG2 1 1 9 3781 1 1 20 LYS HG3 H 12.317 4.383 -3.433 1.00 . A X . 20 LYS HG3 1 1 9 3782 1 1 20 LYS HZ1 H 12.971 4.162 -7.004 1.00 . A X . 20 LYS HZ1 1 1 9 3783 1 1 20 LYS HZ2 H 14.064 4.820 -5.890 1.00 . A X . 20 LYS HZ2 1 1 9 3784 1 1 20 LYS HZ3 H 12.418 4.698 -5.494 1.00 . A X . 20 LYS HZ3 1 1 9 3785 1 1 20 LYS N N 12.619 1.107 -1.024 1.00 . A X . 20 LYS N 1 1 9 3786 1 1 20 LYS NZ N 13.210 4.233 -5.992 1.00 . A X . 20 LYS NZ 1 1 9 3787 1 1 20 LYS O O 15.408 2.795 0.357 1.00 . A X . 20 LYS O 1 1 9 3788 1 1 21 LEU C C 15.070 1.156 2.889 1.00 . A X . 21 LEU C 1 1 9 3789 1 1 21 LEU CA C 14.001 2.220 2.669 1.00 . A X . 21 LEU CA 1 1 9 3790 1 1 21 LEU CB C 12.869 2.047 3.686 1.00 . A X . 21 LEU CB 1 1 9 3791 1 1 21 LEU CD1 C 10.684 2.799 4.649 1.00 . A X . 21 LEU CD1 1 1 9 3792 1 1 21 LEU CD2 C 12.416 4.491 4.037 1.00 . A X . 21 LEU CD2 1 1 9 3793 1 1 21 LEU CG C 11.802 3.145 3.678 1.00 . A X . 21 LEU CG 1 1 9 3794 1 1 21 LEU H H 12.545 1.895 1.170 1.00 . A X . 21 LEU H 1 1 9 3795 1 1 21 LEU HA H 14.447 3.195 2.797 1.00 . A X . 21 LEU HA 1 1 9 3796 1 1 21 LEU HB2 H 12.382 1.101 3.493 1.00 . A X . 21 LEU HB2 1 1 9 3797 1 1 21 LEU HB3 H 13.304 2.010 4.674 1.00 . A X . 21 LEU HB3 1 1 9 3798 1 1 21 LEU HD11 H 11.092 2.696 5.643 1.00 . A X . 21 LEU HD11 1 1 9 3799 1 1 21 LEU HD12 H 10.222 1.869 4.349 1.00 . A X . 21 LEU HD12 1 1 9 3800 1 1 21 LEU HD13 H 9.947 3.587 4.643 1.00 . A X . 21 LEU HD13 1 1 9 3801 1 1 21 LEU HD21 H 11.649 5.251 4.028 1.00 . A X . 21 LEU HD21 1 1 9 3802 1 1 21 LEU HD22 H 13.180 4.741 3.316 1.00 . A X . 21 LEU HD22 1 1 9 3803 1 1 21 LEU HD23 H 12.856 4.435 5.023 1.00 . A X . 21 LEU HD23 1 1 9 3804 1 1 21 LEU HG H 11.375 3.219 2.689 1.00 . A X . 21 LEU HG 1 1 9 3805 1 1 21 LEU N N 13.485 2.138 1.312 1.00 . A X . 21 LEU N 1 1 9 3806 1 1 21 LEU O O 16.226 1.468 3.176 1.00 . A X . 21 LEU O 1 1 9 3807 1 1 22 LYS C C 16.451 -1.444 1.677 1.00 . A X . 22 LYS C 1 1 9 3808 1 1 22 LYS CA C 15.620 -1.196 2.928 1.00 . A X . 22 LYS CA 1 1 9 3809 1 1 22 LYS CB C 14.875 -2.471 3.316 1.00 . A X . 22 LYS CB 1 1 9 3810 1 1 22 LYS CD C 13.503 -3.682 5.019 1.00 . A X . 22 LYS CD 1 1 9 3811 1 1 22 LYS CE C 12.576 -3.545 6.211 1.00 . A X . 22 LYS CE 1 1 9 3812 1 1 22 LYS CG C 14.045 -2.335 4.580 1.00 . A X . 22 LYS CG 1 1 9 3813 1 1 22 LYS H H 13.761 -0.295 2.463 1.00 . A X . 22 LYS H 1 1 9 3814 1 1 22 LYS HA H 16.282 -0.920 3.734 1.00 . A X . 22 LYS HA 1 1 9 3815 1 1 22 LYS HB2 H 14.213 -2.744 2.509 1.00 . A X . 22 LYS HB2 1 1 9 3816 1 1 22 LYS HB3 H 15.591 -3.264 3.466 1.00 . A X . 22 LYS HB3 1 1 9 3817 1 1 22 LYS HD2 H 12.955 -4.123 4.197 1.00 . A X . 22 LYS HD2 1 1 9 3818 1 1 22 LYS HD3 H 14.331 -4.321 5.288 1.00 . A X . 22 LYS HD3 1 1 9 3819 1 1 22 LYS HE2 H 13.094 -3.016 6.995 1.00 . A X . 22 LYS HE2 1 1 9 3820 1 1 22 LYS HE3 H 11.702 -2.981 5.911 1.00 . A X . 22 LYS HE3 1 1 9 3821 1 1 22 LYS HG2 H 14.665 -1.934 5.369 1.00 . A X . 22 LYS HG2 1 1 9 3822 1 1 22 LYS HG3 H 13.219 -1.668 4.389 1.00 . A X . 22 LYS HG3 1 1 9 3823 1 1 22 LYS HZ1 H 11.362 -4.751 7.400 1.00 . A X . 22 LYS HZ1 1 1 9 3824 1 1 22 LYS HZ2 H 12.941 -5.336 7.212 1.00 . A X . 22 LYS HZ2 1 1 9 3825 1 1 22 LYS HZ3 H 11.829 -5.474 5.935 1.00 . A X . 22 LYS HZ3 1 1 9 3826 1 1 22 LYS N N 14.689 -0.099 2.723 1.00 . A X . 22 LYS N 1 1 9 3827 1 1 22 LYS NZ N 12.146 -4.868 6.724 1.00 . A X . 22 LYS NZ 1 1 9 3828 1 1 22 LYS O O 17.496 -2.085 1.736 1.00 . A X . 22 LYS O 1 1 9 3829 1 1 23 LYS C C 16.692 -2.511 -1.200 1.00 . A X . 23 LYS C 1 1 9 3830 1 1 23 LYS CA C 16.649 -1.054 -0.742 1.00 . A X . 23 LYS CA 1 1 9 3831 1 1 23 LYS CB C 18.060 -0.460 -0.674 1.00 . A X . 23 LYS CB 1 1 9 3832 1 1 23 LYS CD C 19.451 1.593 -0.219 1.00 . A X . 23 LYS CD 1 1 9 3833 1 1 23 LYS CE C 19.886 1.223 1.192 1.00 . A X . 23 LYS CE 1 1 9 3834 1 1 23 LYS CG C 18.066 1.052 -0.541 1.00 . A X . 23 LYS CG 1 1 9 3835 1 1 23 LYS H H 15.126 -0.424 0.587 1.00 . A X . 23 LYS H 1 1 9 3836 1 1 23 LYS HA H 16.075 -0.493 -1.464 1.00 . A X . 23 LYS HA 1 1 9 3837 1 1 23 LYS HB2 H 18.575 -0.879 0.178 1.00 . A X . 23 LYS HB2 1 1 9 3838 1 1 23 LYS HB3 H 18.596 -0.727 -1.575 1.00 . A X . 23 LYS HB3 1 1 9 3839 1 1 23 LYS HD2 H 20.159 1.180 -0.921 1.00 . A X . 23 LYS HD2 1 1 9 3840 1 1 23 LYS HD3 H 19.437 2.668 -0.310 1.00 . A X . 23 LYS HD3 1 1 9 3841 1 1 23 LYS HE2 H 19.938 0.148 1.268 1.00 . A X . 23 LYS HE2 1 1 9 3842 1 1 23 LYS HE3 H 20.864 1.643 1.375 1.00 . A X . 23 LYS HE3 1 1 9 3843 1 1 23 LYS HG2 H 17.731 1.485 -1.472 1.00 . A X . 23 LYS HG2 1 1 9 3844 1 1 23 LYS HG3 H 17.387 1.335 0.251 1.00 . A X . 23 LYS HG3 1 1 9 3845 1 1 23 LYS HZ1 H 18.745 2.746 2.060 1.00 . A X . 23 LYS HZ1 1 1 9 3846 1 1 23 LYS HZ2 H 19.344 1.620 3.174 1.00 . A X . 23 LYS HZ2 1 1 9 3847 1 1 23 LYS HZ3 H 18.040 1.212 2.177 1.00 . A X . 23 LYS HZ3 1 1 9 3848 1 1 23 LYS N N 15.969 -0.920 0.550 1.00 . A X . 23 LYS N 1 1 9 3849 1 1 23 LYS NZ N 18.938 1.735 2.219 1.00 . A X . 23 LYS NZ 1 1 9 3850 1 1 23 LYS O O 17.486 -2.872 -2.070 1.00 . A X . 23 LYS O 1 1 9 3851 1 1 24 ALA C C 17.014 -5.467 -0.671 1.00 . A X . 24 ALA C 1 1 9 3852 1 1 24 ALA CA C 15.700 -4.743 -0.936 1.00 . A X . 24 ALA CA 1 1 9 3853 1 1 24 ALA CB C 15.245 -4.945 -2.377 1.00 . A X . 24 ALA CB 1 1 9 3854 1 1 24 ALA H H 15.212 -2.948 0.058 1.00 . A X . 24 ALA H 1 1 9 3855 1 1 24 ALA HA H 14.942 -5.164 -0.288 1.00 . A X . 24 ALA HA 1 1 9 3856 1 1 24 ALA HB1 H 15.123 -5.999 -2.571 1.00 . A X . 24 ALA HB1 1 1 9 3857 1 1 24 ALA HB2 H 15.987 -4.537 -3.050 1.00 . A X . 24 ALA HB2 1 1 9 3858 1 1 24 ALA HB3 H 14.303 -4.437 -2.531 1.00 . A X . 24 ALA HB3 1 1 9 3859 1 1 24 ALA N N 15.808 -3.321 -0.619 1.00 . A X . 24 ALA N 1 1 9 3860 1 1 24 ALA O O 17.299 -5.762 0.508 1.00 . A X . 24 ALA O 1 1 9 3861 1 1 24 ALA OXT O 17.755 -5.746 -1.635 1.00 . A X . 24 ALA OXT 1 1 10 3862 1 1 1 LYS C C -6.065 -5.450 -2.103 1.00 . A X . 1 LYS C 1 1 10 3863 1 1 1 LYS CA C -6.660 -6.827 -1.847 1.00 . A X . 1 LYS CA 1 1 10 3864 1 1 1 LYS CB C -5.765 -7.615 -0.889 1.00 . A X . 1 LYS CB 1 1 10 3865 1 1 1 LYS CD C -7.642 -8.429 0.561 1.00 . A X . 1 LYS CD 1 1 10 3866 1 1 1 LYS CE C -8.311 -9.628 1.221 1.00 . A X . 1 LYS CE 1 1 10 3867 1 1 1 LYS CG C -6.436 -8.835 -0.271 1.00 . A X . 1 LYS CG 1 1 10 3868 1 1 1 LYS H1 H -5.918 -7.670 -3.595 1.00 . A X . 1 LYS H1 1 1 10 3869 1 1 1 LYS H2 H -7.487 -7.049 -3.741 1.00 . A X . 1 LYS H2 1 1 10 3870 1 1 1 LYS H3 H -7.226 -8.513 -2.927 1.00 . A X . 1 LYS H3 1 1 10 3871 1 1 1 LYS HA H -7.634 -6.702 -1.398 1.00 . A X . 1 LYS HA 1 1 10 3872 1 1 1 LYS HB2 H -4.891 -7.948 -1.430 1.00 . A X . 1 LYS HB2 1 1 10 3873 1 1 1 LYS HB3 H -5.456 -6.957 -0.093 1.00 . A X . 1 LYS HB3 1 1 10 3874 1 1 1 LYS HD2 H -7.319 -7.743 1.330 1.00 . A X . 1 LYS HD2 1 1 10 3875 1 1 1 LYS HD3 H -8.358 -7.939 -0.081 1.00 . A X . 1 LYS HD3 1 1 10 3876 1 1 1 LYS HE2 H -7.578 -10.149 1.818 1.00 . A X . 1 LYS HE2 1 1 10 3877 1 1 1 LYS HE3 H -9.106 -9.274 1.861 1.00 . A X . 1 LYS HE3 1 1 10 3878 1 1 1 LYS HG2 H -6.758 -9.502 -1.056 1.00 . A X . 1 LYS HG2 1 1 10 3879 1 1 1 LYS HG3 H -5.725 -9.339 0.367 1.00 . A X . 1 LYS HG3 1 1 10 3880 1 1 1 LYS HZ1 H -9.584 -10.075 -0.371 1.00 . A X . 1 LYS HZ1 1 1 10 3881 1 1 1 LYS HZ2 H -9.345 -11.369 0.705 1.00 . A X . 1 LYS HZ2 1 1 10 3882 1 1 1 LYS HZ3 H -8.124 -10.942 -0.394 1.00 . A X . 1 LYS HZ3 1 1 10 3883 1 1 1 LYS N N -6.835 -7.566 -3.112 1.00 . A X . 1 LYS N 1 1 10 3884 1 1 1 LYS NZ N -8.879 -10.568 0.220 1.00 . A X . 1 LYS NZ 1 1 10 3885 1 1 1 LYS O O -4.846 -5.289 -2.203 1.00 . A X . 1 LYS O 1 1 10 3886 1 1 2 LYS C C -7.302 -2.122 -1.555 1.00 . A X . 2 LYS C 1 1 10 3887 1 1 2 LYS CA C -6.517 -3.082 -2.440 1.00 . A X . 2 LYS CA 1 1 10 3888 1 1 2 LYS CB C -6.702 -2.699 -3.913 1.00 . A X . 2 LYS CB 1 1 10 3889 1 1 2 LYS CD C -4.271 -2.934 -4.520 1.00 . A X . 2 LYS CD 1 1 10 3890 1 1 2 LYS CE C -3.273 -3.509 -5.511 1.00 . A X . 2 LYS CE 1 1 10 3891 1 1 2 LYS CG C -5.698 -3.349 -4.853 1.00 . A X . 2 LYS CG 1 1 10 3892 1 1 2 LYS H H -7.901 -4.657 -2.133 1.00 . A X . 2 LYS H 1 1 10 3893 1 1 2 LYS HA H -5.470 -3.010 -2.188 1.00 . A X . 2 LYS HA 1 1 10 3894 1 1 2 LYS HB2 H -7.694 -2.990 -4.226 1.00 . A X . 2 LYS HB2 1 1 10 3895 1 1 2 LYS HB3 H -6.607 -1.628 -4.005 1.00 . A X . 2 LYS HB3 1 1 10 3896 1 1 2 LYS HD2 H -4.204 -1.857 -4.545 1.00 . A X . 2 LYS HD2 1 1 10 3897 1 1 2 LYS HD3 H -4.025 -3.289 -3.529 1.00 . A X . 2 LYS HD3 1 1 10 3898 1 1 2 LYS HE2 H -3.548 -3.189 -6.506 1.00 . A X . 2 LYS HE2 1 1 10 3899 1 1 2 LYS HE3 H -2.290 -3.131 -5.272 1.00 . A X . 2 LYS HE3 1 1 10 3900 1 1 2 LYS HG2 H -5.780 -4.422 -4.766 1.00 . A X . 2 LYS HG2 1 1 10 3901 1 1 2 LYS HG3 H -5.925 -3.051 -5.868 1.00 . A X . 2 LYS HG3 1 1 10 3902 1 1 2 LYS HZ1 H -2.809 -5.315 -4.582 1.00 . A X . 2 LYS HZ1 1 1 10 3903 1 1 2 LYS HZ2 H -2.680 -5.360 -6.272 1.00 . A X . 2 LYS HZ2 1 1 10 3904 1 1 2 LYS HZ3 H -4.206 -5.376 -5.536 1.00 . A X . 2 LYS HZ3 1 1 10 3905 1 1 2 LYS N N -6.937 -4.458 -2.210 1.00 . A X . 2 LYS N 1 1 10 3906 1 1 2 LYS NZ N -3.243 -4.991 -5.475 1.00 . A X . 2 LYS NZ 1 1 10 3907 1 1 2 LYS O O -7.330 -0.917 -1.800 1.00 . A X . 2 LYS O 1 1 10 3908 1 1 3 LEU C C -8.322 -2.060 1.829 1.00 . A X . 3 LEU C 1 1 10 3909 1 1 3 LEU CA C -8.745 -1.852 0.377 1.00 . A X . 3 LEU CA 1 1 10 3910 1 1 3 LEU CB C -10.231 -2.189 0.205 1.00 . A X . 3 LEU CB 1 1 10 3911 1 1 3 LEU CD1 C -11.093 0.120 0.703 1.00 . A X . 3 LEU CD1 1 1 10 3912 1 1 3 LEU CD2 C -12.625 -1.853 0.878 1.00 . A X . 3 LEU CD2 1 1 10 3913 1 1 3 LEU CG C -11.195 -1.357 1.057 1.00 . A X . 3 LEU CG 1 1 10 3914 1 1 3 LEU H H -7.866 -3.626 -0.366 1.00 . A X . 3 LEU H 1 1 10 3915 1 1 3 LEU HA H -8.590 -0.815 0.117 1.00 . A X . 3 LEU HA 1 1 10 3916 1 1 3 LEU HB2 H -10.493 -2.051 -0.833 1.00 . A X . 3 LEU HB2 1 1 10 3917 1 1 3 LEU HB3 H -10.371 -3.229 0.459 1.00 . A X . 3 LEU HB3 1 1 10 3918 1 1 3 LEU HD11 H -11.370 0.263 -0.333 1.00 . A X . 3 LEU HD11 1 1 10 3919 1 1 3 LEU HD12 H -10.079 0.459 0.854 1.00 . A X . 3 LEU HD12 1 1 10 3920 1 1 3 LEU HD13 H -11.762 0.689 1.333 1.00 . A X . 3 LEU HD13 1 1 10 3921 1 1 3 LEU HD21 H -12.698 -2.880 1.206 1.00 . A X . 3 LEU HD21 1 1 10 3922 1 1 3 LEU HD22 H -12.902 -1.786 -0.164 1.00 . A X . 3 LEU HD22 1 1 10 3923 1 1 3 LEU HD23 H -13.293 -1.239 1.467 1.00 . A X . 3 LEU HD23 1 1 10 3924 1 1 3 LEU HG H -10.931 -1.471 2.098 1.00 . A X . 3 LEU HG 1 1 10 3925 1 1 3 LEU N N -7.937 -2.661 -0.524 1.00 . A X . 3 LEU N 1 1 10 3926 1 1 3 LEU O O -8.670 -3.062 2.452 1.00 . A X . 3 LEU O 1 1 10 3927 1 1 4 LYS C C -7.582 0.142 4.453 1.00 . A X . 4 LYS C 1 1 10 3928 1 1 4 LYS CA C -7.139 -1.136 3.749 1.00 . A X . 4 LYS CA 1 1 10 3929 1 1 4 LYS CB C -5.615 -1.287 3.864 1.00 . A X . 4 LYS CB 1 1 10 3930 1 1 4 LYS CD C -3.577 -2.741 3.659 1.00 . A X . 4 LYS CD 1 1 10 3931 1 1 4 LYS CE C -3.056 -4.163 3.509 1.00 . A X . 4 LYS CE 1 1 10 3932 1 1 4 LYS CG C -5.091 -2.670 3.504 1.00 . A X . 4 LYS CG 1 1 10 3933 1 1 4 LYS H H -7.252 -0.378 1.782 1.00 . A X . 4 LYS H 1 1 10 3934 1 1 4 LYS HA H -7.615 -1.981 4.223 1.00 . A X . 4 LYS HA 1 1 10 3935 1 1 4 LYS HB2 H -5.148 -0.573 3.204 1.00 . A X . 4 LYS HB2 1 1 10 3936 1 1 4 LYS HB3 H -5.321 -1.068 4.881 1.00 . A X . 4 LYS HB3 1 1 10 3937 1 1 4 LYS HD2 H -3.121 -2.124 2.903 1.00 . A X . 4 LYS HD2 1 1 10 3938 1 1 4 LYS HD3 H -3.306 -2.372 4.638 1.00 . A X . 4 LYS HD3 1 1 10 3939 1 1 4 LYS HE2 H -3.364 -4.545 2.549 1.00 . A X . 4 LYS HE2 1 1 10 3940 1 1 4 LYS HE3 H -1.977 -4.143 3.561 1.00 . A X . 4 LYS HE3 1 1 10 3941 1 1 4 LYS HG2 H -5.549 -3.400 4.155 1.00 . A X . 4 LYS HG2 1 1 10 3942 1 1 4 LYS HG3 H -5.351 -2.884 2.477 1.00 . A X . 4 LYS HG3 1 1 10 3943 1 1 4 LYS HZ1 H -3.398 -4.645 5.513 1.00 . A X . 4 LYS HZ1 1 1 10 3944 1 1 4 LYS HZ2 H -3.103 -5.990 4.522 1.00 . A X . 4 LYS HZ2 1 1 10 3945 1 1 4 LYS HZ3 H -4.600 -5.204 4.454 1.00 . A X . 4 LYS HZ3 1 1 10 3946 1 1 4 LYS N N -7.555 -1.113 2.352 1.00 . A X . 4 LYS N 1 1 10 3947 1 1 4 LYS NZ N -3.575 -5.059 4.574 1.00 . A X . 4 LYS NZ 1 1 10 3948 1 1 4 LYS O O -6.976 0.555 5.442 1.00 . A X . 4 LYS O 1 1 10 3949 1 1 5 LEU C C -8.155 3.140 4.124 1.00 . A X . 5 LEU C 1 1 10 3950 1 1 5 LEU CA C -9.165 2.027 4.407 1.00 . A X . 5 LEU CA 1 1 10 3951 1 1 5 LEU CB C -9.509 1.980 5.902 1.00 . A X . 5 LEU CB 1 1 10 3952 1 1 5 LEU CD1 C -11.489 3.520 5.795 1.00 . A X . 5 LEU CD1 1 1 10 3953 1 1 5 LEU CD2 C -10.327 3.140 7.968 1.00 . A X . 5 LEU CD2 1 1 10 3954 1 1 5 LEU CG C -10.152 3.252 6.464 1.00 . A X . 5 LEU CG 1 1 10 3955 1 1 5 LEU H H -9.136 0.285 3.213 1.00 . A X . 5 LEU H 1 1 10 3956 1 1 5 LEU HA H -10.067 2.241 3.854 1.00 . A X . 5 LEU HA 1 1 10 3957 1 1 5 LEU HB2 H -10.189 1.155 6.064 1.00 . A X . 5 LEU HB2 1 1 10 3958 1 1 5 LEU HB3 H -8.600 1.788 6.453 1.00 . A X . 5 LEU HB3 1 1 10 3959 1 1 5 LEU HD11 H -11.915 4.429 6.194 1.00 . A X . 5 LEU HD11 1 1 10 3960 1 1 5 LEU HD12 H -12.157 2.695 5.985 1.00 . A X . 5 LEU HD12 1 1 10 3961 1 1 5 LEU HD13 H -11.343 3.629 4.729 1.00 . A X . 5 LEU HD13 1 1 10 3962 1 1 5 LEU HD21 H -10.792 4.039 8.341 1.00 . A X . 5 LEU HD21 1 1 10 3963 1 1 5 LEU HD22 H -9.362 3.012 8.434 1.00 . A X . 5 LEU HD22 1 1 10 3964 1 1 5 LEU HD23 H -10.953 2.289 8.195 1.00 . A X . 5 LEU HD23 1 1 10 3965 1 1 5 LEU HG H -9.503 4.095 6.264 1.00 . A X . 5 LEU HG 1 1 10 3966 1 1 5 LEU N N -8.659 0.737 3.934 1.00 . A X . 5 LEU N 1 1 10 3967 1 1 5 LEU O O -7.143 3.268 4.815 1.00 . A X . 5 LEU O 1 1 10 3968 1 1 6 ALA C C -6.208 4.441 2.215 1.00 . A X . 6 ALA C 1 1 10 3969 1 1 6 ALA CA C -7.564 5.003 2.645 1.00 . A X . 6 ALA CA 1 1 10 3970 1 1 6 ALA CB C -7.399 6.069 3.723 1.00 . A X . 6 ALA CB 1 1 10 3971 1 1 6 ALA H H -9.320 3.819 2.650 1.00 . A X . 6 ALA H 1 1 10 3972 1 1 6 ALA HA H -8.028 5.469 1.786 1.00 . A X . 6 ALA HA 1 1 10 3973 1 1 6 ALA HB1 H -6.819 6.891 3.331 1.00 . A X . 6 ALA HB1 1 1 10 3974 1 1 6 ALA HB2 H -6.890 5.643 4.575 1.00 . A X . 6 ALA HB2 1 1 10 3975 1 1 6 ALA HB3 H -8.373 6.425 4.025 1.00 . A X . 6 ALA HB3 1 1 10 3976 1 1 6 ALA N N -8.457 3.941 3.106 1.00 . A X . 6 ALA N 1 1 10 3977 1 1 6 ALA O O -5.167 4.799 2.771 1.00 . A X . 6 ALA O 1 1 10 3978 1 1 7 PRO C C -4.008 3.862 0.066 1.00 . A X . 7 PRO C 1 1 10 3979 1 1 7 PRO CA C -4.972 2.897 0.743 1.00 . A X . 7 PRO CA 1 1 10 3980 1 1 7 PRO CB C -5.466 1.847 -0.261 1.00 . A X . 7 PRO CB 1 1 10 3981 1 1 7 PRO CD C -7.355 3.150 0.394 1.00 . A X . 7 PRO CD 1 1 10 3982 1 1 7 PRO CG C -6.947 1.790 -0.085 1.00 . A X . 7 PRO CG 1 1 10 3983 1 1 7 PRO HA H -4.470 2.410 1.563 1.00 . A X . 7 PRO HA 1 1 10 3984 1 1 7 PRO HB2 H -5.200 2.154 -1.262 1.00 . A X . 7 PRO HB2 1 1 10 3985 1 1 7 PRO HB3 H -5.008 0.894 -0.041 1.00 . A X . 7 PRO HB3 1 1 10 3986 1 1 7 PRO HD2 H -7.514 3.818 -0.442 1.00 . A X . 7 PRO HD2 1 1 10 3987 1 1 7 PRO HD3 H -8.242 3.089 1.007 1.00 . A X . 7 PRO HD3 1 1 10 3988 1 1 7 PRO HG2 H -7.421 1.566 -1.029 1.00 . A X . 7 PRO HG2 1 1 10 3989 1 1 7 PRO HG3 H -7.199 1.043 0.652 1.00 . A X . 7 PRO HG3 1 1 10 3990 1 1 7 PRO N N -6.194 3.563 1.194 1.00 . A X . 7 PRO N 1 1 10 3991 1 1 7 PRO O O -2.792 3.680 0.121 1.00 . A X . 7 PRO O 1 1 10 3992 1 1 8 ALA C C -3.297 6.979 -0.264 1.00 . A X . 8 ALA C 1 1 10 3993 1 1 8 ALA CA C -3.743 5.896 -1.241 1.00 . A X . 8 ALA CA 1 1 10 3994 1 1 8 ALA CB C -4.520 6.509 -2.399 1.00 . A X . 8 ALA CB 1 1 10 3995 1 1 8 ALA H H -5.533 4.996 -0.560 1.00 . A X . 8 ALA H 1 1 10 3996 1 1 8 ALA HA H -2.870 5.404 -1.643 1.00 . A X . 8 ALA HA 1 1 10 3997 1 1 8 ALA HB1 H -3.881 7.193 -2.937 1.00 . A X . 8 ALA HB1 1 1 10 3998 1 1 8 ALA HB2 H -5.376 7.045 -2.016 1.00 . A X . 8 ALA HB2 1 1 10 3999 1 1 8 ALA HB3 H -4.854 5.727 -3.066 1.00 . A X . 8 ALA HB3 1 1 10 4000 1 1 8 ALA N N -4.555 4.898 -0.559 1.00 . A X . 8 ALA N 1 1 10 4001 1 1 8 ALA O O -2.557 7.897 -0.624 1.00 . A X . 8 ALA O 1 1 10 4002 1 1 9 LYS C C -2.496 7.247 3.055 1.00 . A X . 9 LYS C 1 1 10 4003 1 1 9 LYS CA C -3.435 7.834 2.007 1.00 . A X . 9 LYS CA 1 1 10 4004 1 1 9 LYS CB C -4.726 8.313 2.668 1.00 . A X . 9 LYS CB 1 1 10 4005 1 1 9 LYS CD C -5.834 9.717 4.411 1.00 . A X . 9 LYS CD 1 1 10 4006 1 1 9 LYS CE C -5.662 10.821 5.439 1.00 . A X . 9 LYS CE 1 1 10 4007 1 1 9 LYS CG C -4.522 9.374 3.732 1.00 . A X . 9 LYS CG 1 1 10 4008 1 1 9 LYS H H -4.312 6.089 1.203 1.00 . A X . 9 LYS H 1 1 10 4009 1 1 9 LYS HA H -2.948 8.673 1.535 1.00 . A X . 9 LYS HA 1 1 10 4010 1 1 9 LYS HB2 H -5.373 8.724 1.908 1.00 . A X . 9 LYS HB2 1 1 10 4011 1 1 9 LYS HB3 H -5.219 7.466 3.126 1.00 . A X . 9 LYS HB3 1 1 10 4012 1 1 9 LYS HD2 H -6.541 10.042 3.661 1.00 . A X . 9 LYS HD2 1 1 10 4013 1 1 9 LYS HD3 H -6.212 8.832 4.905 1.00 . A X . 9 LYS HD3 1 1 10 4014 1 1 9 LYS HE2 H -4.925 10.508 6.166 1.00 . A X . 9 LYS HE2 1 1 10 4015 1 1 9 LYS HE3 H -5.315 11.713 4.936 1.00 . A X . 9 LYS HE3 1 1 10 4016 1 1 9 LYS HG2 H -3.828 9.001 4.472 1.00 . A X . 9 LYS HG2 1 1 10 4017 1 1 9 LYS HG3 H -4.122 10.265 3.271 1.00 . A X . 9 LYS HG3 1 1 10 4018 1 1 9 LYS HZ1 H -6.792 11.911 6.816 1.00 . A X . 9 LYS HZ1 1 1 10 4019 1 1 9 LYS HZ2 H -7.263 10.287 6.670 1.00 . A X . 9 LYS HZ2 1 1 10 4020 1 1 9 LYS HZ3 H -7.670 11.401 5.454 1.00 . A X . 9 LYS HZ3 1 1 10 4021 1 1 9 LYS N N -3.748 6.857 0.976 1.00 . A X . 9 LYS N 1 1 10 4022 1 1 9 LYS NZ N -6.936 11.126 6.143 1.00 . A X . 9 LYS NZ 1 1 10 4023 1 1 9 LYS O O -1.445 7.815 3.347 1.00 . A X . 9 LYS O 1 1 10 4024 1 1 10 LEU C C -0.907 4.712 4.089 1.00 . A X . 10 LEU C 1 1 10 4025 1 1 10 LEU CA C -2.085 5.482 4.671 1.00 . A X . 10 LEU CA 1 1 10 4026 1 1 10 LEU CB C -2.964 4.550 5.505 1.00 . A X . 10 LEU CB 1 1 10 4027 1 1 10 LEU CD1 C -1.801 4.962 7.688 1.00 . A X . 10 LEU CD1 1 1 10 4028 1 1 10 LEU CD2 C -3.179 2.899 7.374 1.00 . A X . 10 LEU CD2 1 1 10 4029 1 1 10 LEU CG C -2.263 3.903 6.698 1.00 . A X . 10 LEU CG 1 1 10 4030 1 1 10 LEU H H -3.699 5.668 3.316 1.00 . A X . 10 LEU H 1 1 10 4031 1 1 10 LEU HA H -1.705 6.267 5.308 1.00 . A X . 10 LEU HA 1 1 10 4032 1 1 10 LEU HB2 H -3.807 5.116 5.871 1.00 . A X . 10 LEU HB2 1 1 10 4033 1 1 10 LEU HB3 H -3.330 3.764 4.860 1.00 . A X . 10 LEU HB3 1 1 10 4034 1 1 10 LEU HD11 H -1.329 4.482 8.533 1.00 . A X . 10 LEU HD11 1 1 10 4035 1 1 10 LEU HD12 H -2.653 5.531 8.030 1.00 . A X . 10 LEU HD12 1 1 10 4036 1 1 10 LEU HD13 H -1.096 5.622 7.208 1.00 . A X . 10 LEU HD13 1 1 10 4037 1 1 10 LEU HD21 H -2.674 2.470 8.227 1.00 . A X . 10 LEU HD21 1 1 10 4038 1 1 10 LEU HD22 H -3.434 2.116 6.674 1.00 . A X . 10 LEU HD22 1 1 10 4039 1 1 10 LEU HD23 H -4.081 3.395 7.702 1.00 . A X . 10 LEU HD23 1 1 10 4040 1 1 10 LEU HG H -1.388 3.377 6.347 1.00 . A X . 10 LEU HG 1 1 10 4041 1 1 10 LEU N N -2.871 6.105 3.616 1.00 . A X . 10 LEU N 1 1 10 4042 1 1 10 LEU O O 0.249 5.008 4.391 1.00 . A X . 10 LEU O 1 1 10 4043 1 1 11 ALA C C 0.619 3.723 1.616 1.00 . A X . 11 ALA C 1 1 10 4044 1 1 11 ALA CA C -0.173 2.911 2.631 1.00 . A X . 11 ALA CA 1 1 10 4045 1 1 11 ALA CB C -0.786 1.683 1.974 1.00 . A X . 11 ALA CB 1 1 10 4046 1 1 11 ALA H H -2.146 3.556 3.034 1.00 . A X . 11 ALA H 1 1 10 4047 1 1 11 ALA HA H 0.497 2.578 3.410 1.00 . A X . 11 ALA HA 1 1 10 4048 1 1 11 ALA HB1 H -1.409 1.987 1.146 1.00 . A X . 11 ALA HB1 1 1 10 4049 1 1 11 ALA HB2 H -1.386 1.151 2.697 1.00 . A X . 11 ALA HB2 1 1 10 4050 1 1 11 ALA HB3 H 0.001 1.037 1.614 1.00 . A X . 11 ALA HB3 1 1 10 4051 1 1 11 ALA N N -1.208 3.730 3.247 1.00 . A X . 11 ALA N 1 1 10 4052 1 1 11 ALA O O 1.839 3.830 1.721 1.00 . A X . 11 ALA O 1 1 10 4053 1 1 12 LEU C C 1.665 4.410 -1.075 1.00 . A X . 12 LEU C 1 1 10 4054 1 1 12 LEU CA C 0.515 5.143 -0.384 1.00 . A X . 12 LEU CA 1 1 10 4055 1 1 12 LEU CB C 0.990 6.472 0.224 1.00 . A X . 12 LEU CB 1 1 10 4056 1 1 12 LEU CD1 C 0.567 7.856 -1.826 1.00 . A X . 12 LEU CD1 1 1 10 4057 1 1 12 LEU CD2 C 2.071 8.717 -0.024 1.00 . A X . 12 LEU CD2 1 1 10 4058 1 1 12 LEU CG C 1.585 7.479 -0.762 1.00 . A X . 12 LEU CG 1 1 10 4059 1 1 12 LEU H H -1.066 4.158 0.626 1.00 . A X . 12 LEU H 1 1 10 4060 1 1 12 LEU HA H -0.250 5.354 -1.120 1.00 . A X . 12 LEU HA 1 1 10 4061 1 1 12 LEU HB2 H 0.146 6.939 0.714 1.00 . A X . 12 LEU HB2 1 1 10 4062 1 1 12 LEU HB3 H 1.736 6.251 0.973 1.00 . A X . 12 LEU HB3 1 1 10 4063 1 1 12 LEU HD11 H -0.310 8.274 -1.355 1.00 . A X . 12 LEU HD11 1 1 10 4064 1 1 12 LEU HD12 H 0.289 6.975 -2.385 1.00 . A X . 12 LEU HD12 1 1 10 4065 1 1 12 LEU HD13 H 0.999 8.585 -2.496 1.00 . A X . 12 LEU HD13 1 1 10 4066 1 1 12 LEU HD21 H 1.241 9.176 0.495 1.00 . A X . 12 LEU HD21 1 1 10 4067 1 1 12 LEU HD22 H 2.486 9.421 -0.732 1.00 . A X . 12 LEU HD22 1 1 10 4068 1 1 12 LEU HD23 H 2.830 8.436 0.692 1.00 . A X . 12 LEU HD23 1 1 10 4069 1 1 12 LEU HG H 2.433 7.027 -1.256 1.00 . A X . 12 LEU HG 1 1 10 4070 1 1 12 LEU N N -0.094 4.302 0.647 1.00 . A X . 12 LEU N 1 1 10 4071 1 1 12 LEU O O 2.832 4.795 -0.957 1.00 . A X . 12 LEU O 1 1 10 4072 1 1 13 LEU C C 3.371 2.021 -1.536 1.00 . A X . 13 LEU C 1 1 10 4073 1 1 13 LEU CA C 2.287 2.503 -2.495 1.00 . A X . 13 LEU CA 1 1 10 4074 1 1 13 LEU CB C 2.915 3.255 -3.685 1.00 . A X . 13 LEU CB 1 1 10 4075 1 1 13 LEU CD1 C 1.294 2.214 -5.306 1.00 . A X . 13 LEU CD1 1 1 10 4076 1 1 13 LEU CD2 C 0.984 4.608 -4.600 1.00 . A X . 13 LEU CD2 1 1 10 4077 1 1 13 LEU CG C 1.994 3.502 -4.891 1.00 . A X . 13 LEU CG 1 1 10 4078 1 1 13 LEU H H 0.362 3.105 -1.849 1.00 . A X . 13 LEU H 1 1 10 4079 1 1 13 LEU HA H 1.758 1.638 -2.873 1.00 . A X . 13 LEU HA 1 1 10 4080 1 1 13 LEU HB2 H 3.264 4.214 -3.332 1.00 . A X . 13 LEU HB2 1 1 10 4081 1 1 13 LEU HB3 H 3.767 2.688 -4.028 1.00 . A X . 13 LEU HB3 1 1 10 4082 1 1 13 LEU HD11 H 0.673 1.862 -4.494 1.00 . A X . 13 LEU HD11 1 1 10 4083 1 1 13 LEU HD12 H 2.033 1.462 -5.543 1.00 . A X . 13 LEU HD12 1 1 10 4084 1 1 13 LEU HD13 H 0.680 2.403 -6.173 1.00 . A X . 13 LEU HD13 1 1 10 4085 1 1 13 LEU HD21 H 0.374 4.780 -5.475 1.00 . A X . 13 LEU HD21 1 1 10 4086 1 1 13 LEU HD22 H 1.509 5.516 -4.347 1.00 . A X . 13 LEU HD22 1 1 10 4087 1 1 13 LEU HD23 H 0.354 4.313 -3.774 1.00 . A X . 13 LEU HD23 1 1 10 4088 1 1 13 LEU HG H 2.603 3.823 -5.724 1.00 . A X . 13 LEU HG 1 1 10 4089 1 1 13 LEU N N 1.312 3.338 -1.790 1.00 . A X . 13 LEU N 1 1 10 4090 1 1 13 LEU O O 4.561 2.218 -1.774 1.00 . A X . 13 LEU O 1 1 10 4091 1 1 14 TRP C C 5.008 0.122 0.067 1.00 . A X . 14 TRP C 1 1 10 4092 1 1 14 TRP CA C 3.824 0.922 0.607 1.00 . A X . 14 TRP CA 1 1 10 4093 1 1 14 TRP CB C 3.038 0.072 1.613 1.00 . A X . 14 TRP CB 1 1 10 4094 1 1 14 TRP CD1 C 4.689 -1.339 2.983 1.00 . A X . 14 TRP CD1 1 1 10 4095 1 1 14 TRP CD2 C 3.787 0.376 4.107 1.00 . A X . 14 TRP CD2 1 1 10 4096 1 1 14 TRP CE2 C 4.676 -0.305 4.962 1.00 . A X . 14 TRP CE2 1 1 10 4097 1 1 14 TRP CE3 C 3.106 1.497 4.595 1.00 . A X . 14 TRP CE3 1 1 10 4098 1 1 14 TRP CG C 3.820 -0.293 2.841 1.00 . A X . 14 TRP CG 1 1 10 4099 1 1 14 TRP CH2 C 4.208 1.189 6.734 1.00 . A X . 14 TRP CH2 1 1 10 4100 1 1 14 TRP CZ2 C 4.888 0.090 6.283 1.00 . A X . 14 TRP CZ2 1 1 10 4101 1 1 14 TRP CZ3 C 3.317 1.885 5.907 1.00 . A X . 14 TRP CZ3 1 1 10 4102 1 1 14 TRP H H 1.973 1.200 -0.372 1.00 . A X . 14 TRP H 1 1 10 4103 1 1 14 TRP HA H 4.199 1.797 1.112 1.00 . A X . 14 TRP HA 1 1 10 4104 1 1 14 TRP HB2 H 2.163 0.623 1.926 1.00 . A X . 14 TRP HB2 1 1 10 4105 1 1 14 TRP HB3 H 2.725 -0.841 1.131 1.00 . A X . 14 TRP HB3 1 1 10 4106 1 1 14 TRP HD1 H 4.927 -2.042 2.199 1.00 . A X . 14 TRP HD1 1 1 10 4107 1 1 14 TRP HE1 H 5.867 -1.998 4.598 1.00 . A X . 14 TRP HE1 1 1 10 4108 1 1 14 TRP HE3 H 2.415 2.047 3.973 1.00 . A X . 14 TRP HE3 1 1 10 4109 1 1 14 TRP HH2 H 4.344 1.528 7.751 1.00 . A X . 14 TRP HH2 1 1 10 4110 1 1 14 TRP HZ2 H 5.571 -0.436 6.935 1.00 . A X . 14 TRP HZ2 1 1 10 4111 1 1 14 TRP HZ3 H 2.798 2.748 6.303 1.00 . A X . 14 TRP HZ3 1 1 10 4112 1 1 14 TRP N N 2.932 1.371 -0.460 1.00 . A X . 14 TRP N 1 1 10 4113 1 1 14 TRP NE1 N 5.211 -1.347 4.253 1.00 . A X . 14 TRP NE1 1 1 10 4114 1 1 14 TRP O O 6.143 0.334 0.479 1.00 . A X . 14 TRP O 1 1 10 4115 1 1 15 LYS C C 6.853 -0.872 -2.132 1.00 . A X . 15 LYS C 1 1 10 4116 1 1 15 LYS CA C 5.768 -1.663 -1.404 1.00 . A X . 15 LYS CA 1 1 10 4117 1 1 15 LYS CB C 5.147 -2.705 -2.341 1.00 . A X . 15 LYS CB 1 1 10 4118 1 1 15 LYS CD C 4.947 -4.444 -0.539 1.00 . A X . 15 LYS CD 1 1 10 4119 1 1 15 LYS CE C 4.024 -5.406 0.192 1.00 . A X . 15 LYS CE 1 1 10 4120 1 1 15 LYS CG C 4.219 -3.683 -1.634 1.00 . A X . 15 LYS CG 1 1 10 4121 1 1 15 LYS H H 3.820 -0.864 -1.197 1.00 . A X . 15 LYS H 1 1 10 4122 1 1 15 LYS HA H 6.224 -2.177 -0.571 1.00 . A X . 15 LYS HA 1 1 10 4123 1 1 15 LYS HB2 H 4.581 -2.195 -3.107 1.00 . A X . 15 LYS HB2 1 1 10 4124 1 1 15 LYS HB3 H 5.940 -3.269 -2.806 1.00 . A X . 15 LYS HB3 1 1 10 4125 1 1 15 LYS HD2 H 5.755 -5.004 -0.983 1.00 . A X . 15 LYS HD2 1 1 10 4126 1 1 15 LYS HD3 H 5.346 -3.732 0.170 1.00 . A X . 15 LYS HD3 1 1 10 4127 1 1 15 LYS HE2 H 4.573 -5.867 0.999 1.00 . A X . 15 LYS HE2 1 1 10 4128 1 1 15 LYS HE3 H 3.192 -4.849 0.594 1.00 . A X . 15 LYS HE3 1 1 10 4129 1 1 15 LYS HG2 H 3.400 -3.134 -1.193 1.00 . A X . 15 LYS HG2 1 1 10 4130 1 1 15 LYS HG3 H 3.834 -4.389 -2.353 1.00 . A X . 15 LYS HG3 1 1 10 4131 1 1 15 LYS HZ1 H 4.293 -6.957 -1.189 1.00 . A X . 15 LYS HZ1 1 1 10 4132 1 1 15 LYS HZ2 H 2.865 -6.067 -1.421 1.00 . A X . 15 LYS HZ2 1 1 10 4133 1 1 15 LYS HZ3 H 2.971 -7.179 -0.148 1.00 . A X . 15 LYS HZ3 1 1 10 4134 1 1 15 LYS N N 4.736 -0.786 -0.863 1.00 . A X . 15 LYS N 1 1 10 4135 1 1 15 LYS NZ N 3.502 -6.473 -0.704 1.00 . A X . 15 LYS NZ 1 1 10 4136 1 1 15 LYS O O 8.006 -1.295 -2.182 1.00 . A X . 15 LYS O 1 1 10 4137 1 1 16 ALA C C 8.419 1.749 -2.405 1.00 . A X . 16 ALA C 1 1 10 4138 1 1 16 ALA CA C 7.442 1.120 -3.388 1.00 . A X . 16 ALA CA 1 1 10 4139 1 1 16 ALA CB C 6.723 2.194 -4.186 1.00 . A X . 16 ALA CB 1 1 10 4140 1 1 16 ALA H H 5.559 0.582 -2.591 1.00 . A X . 16 ALA H 1 1 10 4141 1 1 16 ALA HA H 7.991 0.495 -4.080 1.00 . A X . 16 ALA HA 1 1 10 4142 1 1 16 ALA HB1 H 6.053 1.730 -4.895 1.00 . A X . 16 ALA HB1 1 1 10 4143 1 1 16 ALA HB2 H 7.449 2.793 -4.716 1.00 . A X . 16 ALA HB2 1 1 10 4144 1 1 16 ALA HB3 H 6.157 2.822 -3.513 1.00 . A X . 16 ALA HB3 1 1 10 4145 1 1 16 ALA N N 6.488 0.280 -2.681 1.00 . A X . 16 ALA N 1 1 10 4146 1 1 16 ALA O O 9.632 1.728 -2.616 1.00 . A X . 16 ALA O 1 1 10 4147 1 1 17 LEU C C 9.519 1.781 0.420 1.00 . A X . 17 LEU C 1 1 10 4148 1 1 17 LEU CA C 8.711 2.872 -0.270 1.00 . A X . 17 LEU CA 1 1 10 4149 1 1 17 LEU CB C 7.860 3.629 0.763 1.00 . A X . 17 LEU CB 1 1 10 4150 1 1 17 LEU CD1 C 8.464 5.894 -0.145 1.00 . A X . 17 LEU CD1 1 1 10 4151 1 1 17 LEU CD2 C 6.268 4.864 -0.754 1.00 . A X . 17 LEU CD2 1 1 10 4152 1 1 17 LEU CG C 7.328 5.000 0.327 1.00 . A X . 17 LEU CG 1 1 10 4153 1 1 17 LEU H H 6.905 2.312 -1.226 1.00 . A X . 17 LEU H 1 1 10 4154 1 1 17 LEU HA H 9.394 3.566 -0.737 1.00 . A X . 17 LEU HA 1 1 10 4155 1 1 17 LEU HB2 H 7.013 3.008 1.020 1.00 . A X . 17 LEU HB2 1 1 10 4156 1 1 17 LEU HB3 H 8.458 3.769 1.651 1.00 . A X . 17 LEU HB3 1 1 10 4157 1 1 17 LEU HD11 H 8.953 5.436 -0.993 1.00 . A X . 17 LEU HD11 1 1 10 4158 1 1 17 LEU HD12 H 9.176 6.023 0.654 1.00 . A X . 17 LEU HD12 1 1 10 4159 1 1 17 LEU HD13 H 8.068 6.856 -0.435 1.00 . A X . 17 LEU HD13 1 1 10 4160 1 1 17 LEU HD21 H 6.698 4.387 -1.623 1.00 . A X . 17 LEU HD21 1 1 10 4161 1 1 17 LEU HD22 H 5.901 5.844 -1.023 1.00 . A X . 17 LEU HD22 1 1 10 4162 1 1 17 LEU HD23 H 5.452 4.264 -0.381 1.00 . A X . 17 LEU HD23 1 1 10 4163 1 1 17 LEU HG H 6.870 5.480 1.180 1.00 . A X . 17 LEU HG 1 1 10 4164 1 1 17 LEU N N 7.883 2.294 -1.319 1.00 . A X . 17 LEU N 1 1 10 4165 1 1 17 LEU O O 10.664 1.995 0.816 1.00 . A X . 17 LEU O 1 1 10 4166 1 1 18 ALA C C 10.782 -0.996 0.339 1.00 . A X . 18 ALA C 1 1 10 4167 1 1 18 ALA CA C 9.571 -0.544 1.150 1.00 . A X . 18 ALA CA 1 1 10 4168 1 1 18 ALA CB C 8.583 -1.689 1.315 1.00 . A X . 18 ALA CB 1 1 10 4169 1 1 18 ALA H H 7.995 0.507 0.208 1.00 . A X . 18 ALA H 1 1 10 4170 1 1 18 ALA HA H 9.904 -0.246 2.135 1.00 . A X . 18 ALA HA 1 1 10 4171 1 1 18 ALA HB1 H 8.224 -1.999 0.345 1.00 . A X . 18 ALA HB1 1 1 10 4172 1 1 18 ALA HB2 H 7.750 -1.359 1.918 1.00 . A X . 18 ALA HB2 1 1 10 4173 1 1 18 ALA HB3 H 9.074 -2.521 1.801 1.00 . A X . 18 ALA HB3 1 1 10 4174 1 1 18 ALA N N 8.918 0.603 0.535 1.00 . A X . 18 ALA N 1 1 10 4175 1 1 18 ALA O O 11.703 -1.610 0.880 1.00 . A X . 18 ALA O 1 1 10 4176 1 1 19 LEU C C 13.130 -0.191 -1.417 1.00 . A X . 19 LEU C 1 1 10 4177 1 1 19 LEU CA C 11.908 -1.011 -1.816 1.00 . A X . 19 LEU CA 1 1 10 4178 1 1 19 LEU CB C 11.568 -0.753 -3.288 1.00 . A X . 19 LEU CB 1 1 10 4179 1 1 19 LEU CD1 C 10.209 -1.295 -5.329 1.00 . A X . 19 LEU CD1 1 1 10 4180 1 1 19 LEU CD2 C 11.019 -3.135 -3.837 1.00 . A X . 19 LEU CD2 1 1 10 4181 1 1 19 LEU CG C 10.526 -1.694 -3.895 1.00 . A X . 19 LEU CG 1 1 10 4182 1 1 19 LEU H H 9.988 -0.253 -1.340 1.00 . A X . 19 LEU H 1 1 10 4183 1 1 19 LEU HA H 12.136 -2.060 -1.688 1.00 . A X . 19 LEU HA 1 1 10 4184 1 1 19 LEU HB2 H 11.202 0.260 -3.378 1.00 . A X . 19 LEU HB2 1 1 10 4185 1 1 19 LEU HB3 H 12.476 -0.840 -3.866 1.00 . A X . 19 LEU HB3 1 1 10 4186 1 1 19 LEU HD11 H 9.826 -0.284 -5.346 1.00 . A X . 19 LEU HD11 1 1 10 4187 1 1 19 LEU HD12 H 9.466 -1.966 -5.735 1.00 . A X . 19 LEU HD12 1 1 10 4188 1 1 19 LEU HD13 H 11.107 -1.350 -5.926 1.00 . A X . 19 LEU HD13 1 1 10 4189 1 1 19 LEU HD21 H 10.279 -3.788 -4.276 1.00 . A X . 19 LEU HD21 1 1 10 4190 1 1 19 LEU HD22 H 11.183 -3.416 -2.808 1.00 . A X . 19 LEU HD22 1 1 10 4191 1 1 19 LEU HD23 H 11.946 -3.220 -4.385 1.00 . A X . 19 LEU HD23 1 1 10 4192 1 1 19 LEU HG H 9.612 -1.628 -3.320 1.00 . A X . 19 LEU HG 1 1 10 4193 1 1 19 LEU N N 10.776 -0.695 -0.955 1.00 . A X . 19 LEU N 1 1 10 4194 1 1 19 LEU O O 14.191 -0.742 -1.120 1.00 . A X . 19 LEU O 1 1 10 4195 1 1 20 LYS C C 14.366 2.004 0.440 1.00 . A X . 20 LYS C 1 1 10 4196 1 1 20 LYS CA C 14.081 2.013 -1.060 1.00 . A X . 20 LYS CA 1 1 10 4197 1 1 20 LYS CB C 13.811 3.440 -1.549 1.00 . A X . 20 LYS CB 1 1 10 4198 1 1 20 LYS CD C 12.439 5.540 -1.398 1.00 . A X . 20 LYS CD 1 1 10 4199 1 1 20 LYS CE C 13.687 6.391 -1.220 1.00 . A X . 20 LYS CE 1 1 10 4200 1 1 20 LYS CG C 12.644 4.132 -0.857 1.00 . A X . 20 LYS CG 1 1 10 4201 1 1 20 LYS H H 12.087 1.510 -1.575 1.00 . A X . 20 LYS H 1 1 10 4202 1 1 20 LYS HA H 14.954 1.632 -1.571 1.00 . A X . 20 LYS HA 1 1 10 4203 1 1 20 LYS HB2 H 14.698 4.035 -1.386 1.00 . A X . 20 LYS HB2 1 1 10 4204 1 1 20 LYS HB3 H 13.604 3.409 -2.608 1.00 . A X . 20 LYS HB3 1 1 10 4205 1 1 20 LYS HD2 H 12.201 5.483 -2.450 1.00 . A X . 20 LYS HD2 1 1 10 4206 1 1 20 LYS HD3 H 11.620 6.003 -0.865 1.00 . A X . 20 LYS HD3 1 1 10 4207 1 1 20 LYS HE2 H 13.816 6.601 -0.169 1.00 . A X . 20 LYS HE2 1 1 10 4208 1 1 20 LYS HE3 H 14.540 5.834 -1.582 1.00 . A X . 20 LYS HE3 1 1 10 4209 1 1 20 LYS HG2 H 11.747 3.558 -1.025 1.00 . A X . 20 LYS HG2 1 1 10 4210 1 1 20 LYS HG3 H 12.848 4.189 0.201 1.00 . A X . 20 LYS HG3 1 1 10 4211 1 1 20 LYS HZ1 H 13.372 7.496 -2.962 1.00 . A X . 20 LYS HZ1 1 1 10 4212 1 1 20 LYS HZ2 H 14.503 8.182 -1.907 1.00 . A X . 20 LYS HZ2 1 1 10 4213 1 1 20 LYS HZ3 H 12.849 8.280 -1.551 1.00 . A X . 20 LYS HZ3 1 1 10 4214 1 1 20 LYS N N 12.969 1.127 -1.381 1.00 . A X . 20 LYS N 1 1 10 4215 1 1 20 LYS NZ N 13.597 7.675 -1.960 1.00 . A X . 20 LYS NZ 1 1 10 4216 1 1 20 LYS O O 15.402 2.495 0.886 1.00 . A X . 20 LYS O 1 1 10 4217 1 1 21 LEU C C 14.718 0.219 2.876 1.00 . A X . 21 LEU C 1 1 10 4218 1 1 21 LEU CA C 13.636 1.273 2.644 1.00 . A X . 21 LEU CA 1 1 10 4219 1 1 21 LEU CB C 12.308 0.863 3.313 1.00 . A X . 21 LEU CB 1 1 10 4220 1 1 21 LEU CD1 C 13.023 -0.062 5.554 1.00 . A X . 21 LEU CD1 1 1 10 4221 1 1 21 LEU CD2 C 12.721 2.401 5.252 1.00 . A X . 21 LEU CD2 1 1 10 4222 1 1 21 LEU CG C 12.232 1.023 4.839 1.00 . A X . 21 LEU CG 1 1 10 4223 1 1 21 LEU H H 12.591 1.162 0.807 1.00 . A X . 21 LEU H 1 1 10 4224 1 1 21 LEU HA H 13.967 2.216 3.055 1.00 . A X . 21 LEU HA 1 1 10 4225 1 1 21 LEU HB2 H 11.518 1.454 2.878 1.00 . A X . 21 LEU HB2 1 1 10 4226 1 1 21 LEU HB3 H 12.123 -0.176 3.076 1.00 . A X . 21 LEU HB3 1 1 10 4227 1 1 21 LEU HD11 H 14.061 -0.005 5.259 1.00 . A X . 21 LEU HD11 1 1 10 4228 1 1 21 LEU HD12 H 12.629 -1.032 5.288 1.00 . A X . 21 LEU HD12 1 1 10 4229 1 1 21 LEU HD13 H 12.944 0.079 6.621 1.00 . A X . 21 LEU HD13 1 1 10 4230 1 1 21 LEU HD21 H 12.144 3.157 4.739 1.00 . A X . 21 LEU HD21 1 1 10 4231 1 1 21 LEU HD22 H 13.763 2.504 4.991 1.00 . A X . 21 LEU HD22 1 1 10 4232 1 1 21 LEU HD23 H 12.602 2.520 6.318 1.00 . A X . 21 LEU HD23 1 1 10 4233 1 1 21 LEU HG H 11.201 0.933 5.148 1.00 . A X . 21 LEU HG 1 1 10 4234 1 1 21 LEU N N 13.439 1.448 1.211 1.00 . A X . 21 LEU N 1 1 10 4235 1 1 21 LEU O O 15.635 0.417 3.668 1.00 . A X . 21 LEU O 1 1 10 4236 1 1 22 LYS C C 16.923 -1.450 1.604 1.00 . A X . 22 LYS C 1 1 10 4237 1 1 22 LYS CA C 15.619 -1.948 2.215 1.00 . A X . 22 LYS CA 1 1 10 4238 1 1 22 LYS CB C 15.155 -3.180 1.436 1.00 . A X . 22 LYS CB 1 1 10 4239 1 1 22 LYS CD C 13.377 -4.873 0.969 1.00 . A X . 22 LYS CD 1 1 10 4240 1 1 22 LYS CE C 12.055 -5.488 1.408 1.00 . A X . 22 LYS CE 1 1 10 4241 1 1 22 LYS CG C 13.834 -3.767 1.905 1.00 . A X . 22 LYS CG 1 1 10 4242 1 1 22 LYS H H 13.831 -1.013 1.572 1.00 . A X . 22 LYS H 1 1 10 4243 1 1 22 LYS HA H 15.783 -2.211 3.250 1.00 . A X . 22 LYS HA 1 1 10 4244 1 1 22 LYS HB2 H 15.048 -2.908 0.397 1.00 . A X . 22 LYS HB2 1 1 10 4245 1 1 22 LYS HB3 H 15.913 -3.946 1.518 1.00 . A X . 22 LYS HB3 1 1 10 4246 1 1 22 LYS HD2 H 13.257 -4.462 -0.023 1.00 . A X . 22 LYS HD2 1 1 10 4247 1 1 22 LYS HD3 H 14.132 -5.645 0.949 1.00 . A X . 22 LYS HD3 1 1 10 4248 1 1 22 LYS HE2 H 11.768 -6.243 0.693 1.00 . A X . 22 LYS HE2 1 1 10 4249 1 1 22 LYS HE3 H 12.194 -5.946 2.377 1.00 . A X . 22 LYS HE3 1 1 10 4250 1 1 22 LYS HG2 H 13.961 -4.174 2.898 1.00 . A X . 22 LYS HG2 1 1 10 4251 1 1 22 LYS HG3 H 13.087 -2.988 1.922 1.00 . A X . 22 LYS HG3 1 1 10 4252 1 1 22 LYS HZ1 H 10.036 -4.960 1.485 1.00 . A X . 22 LYS HZ1 1 1 10 4253 1 1 22 LYS HZ2 H 11.017 -3.815 0.710 1.00 . A X . 22 LYS HZ2 1 1 10 4254 1 1 22 LYS HZ3 H 11.045 -3.952 2.396 1.00 . A X . 22 LYS HZ3 1 1 10 4255 1 1 22 LYS N N 14.610 -0.895 2.158 1.00 . A X . 22 LYS N 1 1 10 4256 1 1 22 LYS NZ N 10.964 -4.481 1.503 1.00 . A X . 22 LYS NZ 1 1 10 4257 1 1 22 LYS O O 18.013 -1.860 1.998 1.00 . A X . 22 LYS O 1 1 10 4258 1 1 23 LYS C C 18.577 1.128 0.547 1.00 . A X . 23 LYS C 1 1 10 4259 1 1 23 LYS CA C 17.904 -0.060 -0.145 1.00 . A X . 23 LYS CA 1 1 10 4260 1 1 23 LYS CB C 17.383 0.345 -1.525 1.00 . A X . 23 LYS CB 1 1 10 4261 1 1 23 LYS CD C 17.794 0.671 -3.962 1.00 . A X . 23 LYS CD 1 1 10 4262 1 1 23 LYS CE C 18.799 0.622 -5.097 1.00 . A X . 23 LYS CE 1 1 10 4263 1 1 23 LYS CG C 18.441 0.425 -2.612 1.00 . A X . 23 LYS CG 1 1 10 4264 1 1 23 LYS H H 15.887 -0.206 0.448 1.00 . A X . 23 LYS H 1 1 10 4265 1 1 23 LYS HA H 18.620 -0.859 -0.254 1.00 . A X . 23 LYS HA 1 1 10 4266 1 1 23 LYS HB2 H 16.638 -0.373 -1.836 1.00 . A X . 23 LYS HB2 1 1 10 4267 1 1 23 LYS HB3 H 16.914 1.316 -1.441 1.00 . A X . 23 LYS HB3 1 1 10 4268 1 1 23 LYS HD2 H 17.039 -0.084 -4.132 1.00 . A X . 23 LYS HD2 1 1 10 4269 1 1 23 LYS HD3 H 17.330 1.647 -3.949 1.00 . A X . 23 LYS HD3 1 1 10 4270 1 1 23 LYS HE2 H 19.505 1.432 -4.973 1.00 . A X . 23 LYS HE2 1 1 10 4271 1 1 23 LYS HE3 H 19.319 -0.323 -5.061 1.00 . A X . 23 LYS HE3 1 1 10 4272 1 1 23 LYS HG2 H 19.115 1.239 -2.387 1.00 . A X . 23 LYS HG2 1 1 10 4273 1 1 23 LYS HG3 H 18.988 -0.508 -2.645 1.00 . A X . 23 LYS HG3 1 1 10 4274 1 1 23 LYS HZ1 H 17.553 1.629 -6.435 1.00 . A X . 23 LYS HZ1 1 1 10 4275 1 1 23 LYS HZ2 H 17.514 -0.059 -6.597 1.00 . A X . 23 LYS HZ2 1 1 10 4276 1 1 23 LYS HZ3 H 18.844 0.819 -7.176 1.00 . A X . 23 LYS HZ3 1 1 10 4277 1 1 23 LYS N N 16.784 -0.551 0.643 1.00 . A X . 23 LYS N 1 1 10 4278 1 1 23 LYS NZ N 18.132 0.761 -6.416 1.00 . A X . 23 LYS NZ 1 1 10 4279 1 1 23 LYS O O 19.429 1.806 -0.032 1.00 . A X . 23 LYS O 1 1 10 4280 1 1 24 ALA C C 19.673 1.952 3.652 1.00 . A X . 24 ALA C 1 1 10 4281 1 1 24 ALA CA C 18.748 2.476 2.561 1.00 . A X . 24 ALA CA 1 1 10 4282 1 1 24 ALA CB C 17.637 3.321 3.165 1.00 . A X . 24 ALA CB 1 1 10 4283 1 1 24 ALA H H 17.517 0.798 2.205 1.00 . A X . 24 ALA H 1 1 10 4284 1 1 24 ALA HA H 19.320 3.098 1.889 1.00 . A X . 24 ALA HA 1 1 10 4285 1 1 24 ALA HB1 H 18.070 4.151 3.703 1.00 . A X . 24 ALA HB1 1 1 10 4286 1 1 24 ALA HB2 H 17.053 2.717 3.844 1.00 . A X . 24 ALA HB2 1 1 10 4287 1 1 24 ALA HB3 H 17.002 3.695 2.378 1.00 . A X . 24 ALA HB3 1 1 10 4288 1 1 24 ALA N N 18.192 1.376 1.791 1.00 . A X . 24 ALA N 1 1 10 4289 1 1 24 ALA O O 20.909 2.034 3.478 1.00 . A X . 24 ALA O 1 1 10 4290 1 1 24 ALA OXT O 19.164 1.437 4.669 1.00 . A X . 24 ALA OXT 1 1 stop_ save_
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