NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
642495 | 6csk | 30439 | cing | 4-filtered-FRED | STAR | entry | full | 97 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6csk # This FRED archive file contains, for PDB entry <6csk>: # # - 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_6csk _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 6csk _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 2189.86 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 $PaDBS1R2 A . 1 1 stop_ save_ save_PaDBS1R2 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name PaDBS1R2 _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code PMKLLKRLGKKIRLAAAFK _Entity.Number_of_monomers 19 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 PRO . 1 1 2 MET . 1 1 3 LYS . 1 1 4 LEU . 1 1 5 LEU . 1 1 6 LYS . 1 1 7 ARG . 1 1 8 LEU . 1 1 9 GLY . 1 1 10 LYS . 1 1 11 LYS . 1 1 12 ILE . 1 1 13 ARG . 1 1 14 LEU . 1 1 15 ALA . 1 1 16 ALA . 1 1 17 ALA . 1 1 18 PHE . 1 1 19 LYS . 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 PRO 1 1 1 1 MET 2 2 1 1 LYS 3 3 1 1 LEU 4 4 1 1 LEU 5 5 1 1 LYS 6 6 1 1 ARG 7 7 1 1 LEU 8 8 1 1 GLY 9 9 1 1 LYS 10 10 1 1 LYS 11 11 1 1 ILE 12 12 1 1 ARG 13 13 1 1 LEU 14 14 1 1 ALA 15 15 1 1 ALA 16 16 1 1 ALA 17 17 1 1 PHE 18 18 1 1 LYS 19 19 1 1 stop_ save_ save_DYANA/DIANA_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 2 MET H . 2 MET H 1 1 1 1 2 1 1 2 MET QG . 2 MET QG 1 1 2 1 1 1 1 3 LYS H . 3 LYS H 1 1 2 1 2 1 1 3 LYS QB . 3 LYS QB 1 1 3 1 1 1 1 3 LYS H . 3 LYS H 1 1 3 1 2 1 1 3 LYS HD2 . 3 LYS HD2 1 1 4 1 1 1 1 3 LYS H . 3 LYS H 1 1 4 1 2 1 1 3 LYS QD . 3 LYS QD 1 1 5 1 1 1 1 3 LYS H . 3 LYS H 1 1 5 1 2 1 1 3 LYS HD3 . 3 LYS HD3 1 1 6 1 1 1 1 3 LYS H . 3 LYS H 1 1 6 1 2 1 1 3 LYS HE2 . 3 LYS HE2 1 1 7 1 1 1 1 3 LYS H . 3 LYS H 1 1 7 1 2 1 1 3 LYS HE3 . 3 LYS HE3 1 1 8 1 1 1 1 3 LYS H . 3 LYS H 1 1 8 1 2 1 1 3 LYS HG2 . 3 LYS HG2 1 1 9 1 1 1 1 3 LYS H . 3 LYS H 1 1 9 1 2 1 1 3 LYS QG . 3 LYS QG 1 1 10 1 1 1 1 3 LYS H . 3 LYS H 1 1 10 1 2 1 1 3 LYS HG3 . 3 LYS HG3 1 1 11 1 1 1 1 4 LEU H . 4 LEU H 1 1 11 1 2 1 1 4 LEU QB . 4 LEU QB 1 1 12 1 1 1 1 4 LEU H . 4 LEU H 1 1 12 1 2 1 1 4 LEU MD1 . 4 LEU QD1 1 1 13 1 1 1 1 4 LEU H . 4 LEU H 1 1 13 1 2 1 1 4 LEU MD2 . 4 LEU QD2 1 1 14 1 1 1 1 4 LEU H . 4 LEU H 1 1 14 1 2 1 1 4 LEU HG . 4 LEU HG 1 1 15 1 1 1 1 4 LEU QB . 4 LEU QB 1 1 15 1 2 1 1 5 LEU H . 5 LEU H 1 1 16 1 1 1 1 4 LEU QD . 4 LEU QQD 1 1 16 1 2 1 1 5 LEU H . 5 LEU H 1 1 17 1 1 1 1 4 LEU MD1 . 4 LEU QD1 1 1 17 1 2 1 1 5 LEU H . 5 LEU H 1 1 18 1 1 1 1 4 LEU MD2 . 4 LEU QD2 1 1 18 1 2 1 1 5 LEU H . 5 LEU H 1 1 19 1 1 1 1 5 LEU H . 5 LEU H 1 1 19 1 2 1 1 5 LEU QB . 5 LEU QB 1 1 20 1 1 1 1 5 LEU H . 5 LEU H 1 1 20 1 2 1 1 5 LEU MD1 . 5 LEU QD1 1 1 21 1 1 1 1 5 LEU H . 5 LEU H 1 1 21 1 2 1 1 5 LEU MD2 . 5 LEU QD2 1 1 22 1 1 1 1 5 LEU H . 5 LEU H 1 1 22 1 2 1 1 5 LEU HG . 5 LEU HG 1 1 23 1 1 1 1 5 LEU QB . 5 LEU QB 1 1 23 1 2 1 1 6 LYS H . 6 LYS H 1 1 24 1 1 1 1 6 LYS H . 6 LYS H 1 1 24 1 2 1 1 6 LYS QB . 6 LYS QB 1 1 25 1 1 1 1 6 LYS H . 6 LYS H 1 1 25 1 2 1 1 6 LYS HE2 . 6 LYS HE2 1 1 26 1 1 1 1 6 LYS H . 6 LYS H 1 1 26 1 2 1 1 6 LYS HE3 . 6 LYS HE3 1 1 27 1 1 1 1 6 LYS H . 6 LYS H 1 1 27 1 2 1 1 6 LYS HG2 . 6 LYS HG2 1 1 28 1 1 1 1 6 LYS H . 6 LYS H 1 1 28 1 2 1 1 6 LYS QG . 6 LYS QG 1 1 29 1 1 1 1 6 LYS H . 6 LYS H 1 1 29 1 2 1 1 6 LYS HG3 . 6 LYS HG3 1 1 30 1 1 1 1 6 LYS QB . 6 LYS QB 1 1 30 1 2 1 1 7 ARG H . 7 ARG H 1 1 31 1 1 1 1 7 ARG H . 7 ARG H 1 1 31 1 2 1 1 7 ARG QD . 7 ARG QD 1 1 32 1 1 1 1 7 ARG H . 7 ARG H 1 1 32 1 2 1 1 7 ARG HG2 . 7 ARG HG2 1 1 33 1 1 1 1 7 ARG H . 7 ARG H 1 1 33 1 2 1 1 7 ARG QG . 7 ARG QG 1 1 34 1 1 1 1 7 ARG H . 7 ARG H 1 1 34 1 2 1 1 7 ARG HG3 . 7 ARG HG3 1 1 35 1 1 1 1 7 ARG HA . 7 ARG HA 1 1 35 1 2 1 1 7 ARG HE . 7 ARG HE 1 1 36 1 1 1 1 7 ARG QB . 7 ARG QB 1 1 36 1 2 1 1 7 ARG HE . 7 ARG HE 1 1 37 1 1 1 1 7 ARG QB . 7 ARG QB 1 1 37 1 2 1 1 8 LEU H . 8 LEU H 1 1 38 1 1 1 1 7 ARG HB2 . 7 ARG HB2 1 1 38 1 2 1 1 7 ARG HE . 7 ARG HE 1 1 39 1 1 1 1 7 ARG HB3 . 7 ARG HB3 1 1 39 1 2 1 1 7 ARG HE . 7 ARG HE 1 1 40 1 1 1 1 7 ARG QG . 7 ARG QG 1 1 40 1 2 1 1 8 LEU H . 8 LEU H 1 1 41 1 1 1 1 8 LEU H . 8 LEU H 1 1 41 1 2 1 1 8 LEU QB . 8 LEU QB 1 1 42 1 1 1 1 8 LEU H . 8 LEU H 1 1 42 1 2 1 1 8 LEU MD1 . 8 LEU QD1 1 1 43 1 1 1 1 8 LEU H . 8 LEU H 1 1 43 1 2 1 1 8 LEU QD . 8 LEU QQD 1 1 44 1 1 1 1 8 LEU H . 8 LEU H 1 1 44 1 2 1 1 8 LEU MD2 . 8 LEU QD2 1 1 45 1 1 1 1 8 LEU H . 8 LEU H 1 1 45 1 2 1 1 8 LEU HG . 8 LEU HG 1 1 46 1 1 1 1 10 LYS H . 10 LYS H 1 1 46 1 2 1 1 10 LYS QB . 10 LYS QB 1 1 47 1 1 1 1 10 LYS H . 10 LYS H 1 1 47 1 2 1 1 10 LYS QE . 10 LYS QE 1 1 48 1 1 1 1 10 LYS H . 10 LYS H 1 1 48 1 2 1 1 10 LYS HG2 . 10 LYS HG2 1 1 49 1 1 1 1 10 LYS H . 10 LYS H 1 1 49 1 2 1 1 10 LYS QG . 10 LYS QG 1 1 50 1 1 1 1 10 LYS H . 10 LYS H 1 1 50 1 2 1 1 10 LYS HG3 . 10 LYS HG3 1 1 51 1 1 1 1 11 LYS H . 11 LYS H 1 1 51 1 2 1 1 11 LYS QB . 11 LYS QB 1 1 52 1 1 1 1 11 LYS H . 11 LYS H 1 1 52 1 2 1 1 11 LYS HE2 . 11 LYS HE2 1 1 53 1 1 1 1 11 LYS H . 11 LYS H 1 1 53 1 2 1 1 11 LYS HE3 . 11 LYS HE3 1 1 54 1 1 1 1 11 LYS H . 11 LYS H 1 1 54 1 2 1 1 11 LYS HG2 . 11 LYS HG2 1 1 55 1 1 1 1 11 LYS H . 11 LYS H 1 1 55 1 2 1 1 11 LYS QG . 11 LYS QG 1 1 56 1 1 1 1 11 LYS H . 11 LYS H 1 1 56 1 2 1 1 11 LYS HG3 . 11 LYS HG3 1 1 57 1 1 1 1 12 ILE H . 12 ILE H 1 1 57 1 2 1 1 12 ILE MD . 12 ILE QD1 1 1 58 1 1 1 1 12 ILE H . 12 ILE H 1 1 58 1 2 1 1 12 ILE HG12 . 12 ILE HG12 1 1 59 1 1 1 1 12 ILE H . 12 ILE H 1 1 59 1 2 1 1 12 ILE HG13 . 12 ILE HG13 1 1 60 1 1 1 1 12 ILE H . 12 ILE H 1 1 60 1 2 1 1 12 ILE MG . 12 ILE QG2 1 1 61 1 1 1 1 12 ILE HB . 12 ILE HB 1 1 61 1 2 1 1 13 ARG H . 13 ARG H 1 1 62 1 1 1 1 13 ARG H . 13 ARG H 1 1 62 1 2 1 1 13 ARG HD2 . 13 ARG HD2 1 1 63 1 1 1 1 13 ARG H . 13 ARG H 1 1 63 1 2 1 1 13 ARG QD . 13 ARG QD 1 1 64 1 1 1 1 13 ARG H . 13 ARG H 1 1 64 1 2 1 1 13 ARG HD3 . 13 ARG HD3 1 1 65 1 1 1 1 13 ARG H . 13 ARG H 1 1 65 1 2 1 1 13 ARG HG2 . 13 ARG HG2 1 1 66 1 1 1 1 13 ARG H . 13 ARG H 1 1 66 1 2 1 1 13 ARG QG . 13 ARG QG 1 1 67 1 1 1 1 13 ARG H . 13 ARG H 1 1 67 1 2 1 1 13 ARG HG3 . 13 ARG HG3 1 1 68 1 1 1 1 13 ARG HA . 13 ARG HA 1 1 68 1 2 1 1 13 ARG HE . 13 ARG HE 1 1 69 1 1 1 1 13 ARG QB . 13 ARG QB 1 1 69 1 2 1 1 13 ARG HE . 13 ARG HE 1 1 70 1 1 1 1 13 ARG QB . 13 ARG QB 1 1 70 1 2 1 1 14 LEU H . 14 LEU H 1 1 71 1 1 1 1 13 ARG HB2 . 13 ARG HB2 1 1 71 1 2 1 1 13 ARG HE . 13 ARG HE 1 1 72 1 1 1 1 13 ARG HB3 . 13 ARG HB3 1 1 72 1 2 1 1 13 ARG HE . 13 ARG HE 1 1 73 1 1 1 1 13 ARG QG . 13 ARG QG 1 1 73 1 2 1 1 14 LEU H . 14 LEU H 1 1 74 1 1 1 1 13 ARG HG2 . 13 ARG HG2 1 1 74 1 2 1 1 14 LEU H . 14 LEU H 1 1 75 1 1 1 1 13 ARG HG3 . 13 ARG HG3 1 1 75 1 2 1 1 14 LEU H . 14 LEU H 1 1 76 1 1 1 1 14 LEU H . 14 LEU H 1 1 76 1 2 1 1 14 LEU HB2 . 14 LEU HB2 1 1 77 1 1 1 1 14 LEU H . 14 LEU H 1 1 77 1 2 1 1 14 LEU HB3 . 14 LEU HB3 1 1 78 1 1 1 1 14 LEU H . 14 LEU H 1 1 78 1 2 1 1 14 LEU MD1 . 14 LEU QD1 1 1 79 1 1 1 1 14 LEU H . 14 LEU H 1 1 79 1 2 1 1 14 LEU QD . 14 LEU QQD 1 1 80 1 1 1 1 14 LEU H . 14 LEU H 1 1 80 1 2 1 1 14 LEU MD2 . 14 LEU QD2 1 1 81 1 1 1 1 14 LEU H . 14 LEU H 1 1 81 1 2 1 1 14 LEU HG . 14 LEU HG 1 1 82 1 1 1 1 15 ALA H . 15 ALA H 1 1 82 1 2 1 1 15 ALA MB . 15 ALA QB 1 1 83 1 1 1 1 15 ALA MB . 15 ALA QB 1 1 83 1 2 1 1 16 ALA H . 16 ALA H 1 1 84 1 1 1 1 16 ALA H . 16 ALA H 1 1 84 1 2 1 1 16 ALA MB . 16 ALA QB 1 1 85 1 1 1 1 16 ALA MB . 16 ALA QB 1 1 85 1 2 1 1 17 ALA H . 17 ALA H 1 1 86 1 1 1 1 17 ALA H . 17 ALA H 1 1 86 1 2 1 1 17 ALA MB . 17 ALA QB 1 1 87 1 1 1 1 18 PHE H . 18 PHE H 1 1 87 1 2 1 1 18 PHE HB2 . 18 PHE HB2 1 1 88 1 1 1 1 18 PHE H . 18 PHE H 1 1 88 1 2 1 1 18 PHE QB . 18 PHE QB 1 1 89 1 1 1 1 18 PHE H . 18 PHE H 1 1 89 1 2 1 1 18 PHE HB3 . 18 PHE HB3 1 1 90 1 1 1 1 19 LYS H . 19 LYS H 1 1 90 1 2 1 1 19 LYS HB2 . 19 LYS HB2 1 1 91 1 1 1 1 19 LYS H . 19 LYS H 1 1 91 1 2 1 1 19 LYS QB . 19 LYS QB 1 1 92 1 1 1 1 19 LYS H . 19 LYS H 1 1 92 1 2 1 1 19 LYS HB3 . 19 LYS HB3 1 1 93 1 1 1 1 19 LYS H . 19 LYS H 1 1 93 1 2 1 1 19 LYS HD2 . 19 LYS HD2 1 1 94 1 1 1 1 19 LYS H . 19 LYS H 1 1 94 1 2 1 1 19 LYS HD3 . 19 LYS HD3 1 1 95 1 1 1 1 19 LYS H . 19 LYS H 1 1 95 1 2 1 1 19 LYS HE2 . 19 LYS HE2 1 1 96 1 1 1 1 19 LYS H . 19 LYS H 1 1 96 1 2 1 1 19 LYS HE3 . 19 LYS HE3 1 1 97 1 1 1 1 19 LYS H . 19 LYS H 1 1 97 1 2 1 1 19 LYS QG . 19 LYS QG 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 . . . . . . . 4.4 1 1 2 1 . . . . . . . 3.65 1 1 3 1 . . . . . . . 5.5 1 1 4 1 . . . . . . . 4.82 1 1 5 1 . . . . . . . 5.5 1 1 6 1 . . . . . . . 5.5 1 1 7 1 . . . . . . . 5.5 1 1 8 1 . . . . . . . 4.7 1 1 9 1 . . . . . . . 4.05 1 1 10 1 . . . . . . . 4.7 1 1 11 1 . . . . . . . 3.2 1 1 12 1 . . . . . . . 4.5 1 1 13 1 . . . . . . . 4.5 1 1 14 1 . . . . . . . 3.58 1 1 15 1 . . . . . . . 4.08 1 1 16 1 . . . . . . . 4.82 1 1 17 1 . . . . . . . 5.5 1 1 18 1 . . . . . . . 5.5 1 1 19 1 . . . . . . . 3.58 1 1 20 1 . . . . . . . 5.5 1 1 21 1 . . . . . . . 5.5 1 1 22 1 . . . . . . . 4.7 1 1 23 1 . . . . . . . 3.81 1 1 24 1 . . . . . . . 3.49 1 1 25 1 . . . . . . . 5.5 1 1 26 1 . . . . . . . 5.5 1 1 27 1 . . . . . . . 5.06 1 1 28 1 . . . . . . . 4.43 1 1 29 1 . . . . . . . 5.06 1 1 30 1 . . . . . . . 4.19 1 1 31 1 . . . . . . . 4.32 1 1 32 1 . . . . . . . 5.26 1 1 33 1 . . . . . . . 4.53 1 1 34 1 . . . . . . . 5.26 1 1 35 1 . . . . . . . 4.65 1 1 36 1 . . . . . . . 3.54 1 1 37 1 . . . . . . . 4.04 1 1 38 1 . . . . . . . 4.1 1 1 39 1 . . . . . . . 4.1 1 1 40 1 . . . . . . . 4.96 1 1 41 1 . . . . . . . 3.47 1 1 42 1 . . . . . . . 4.95 1 1 43 1 . . . . . . . 4.35 1 1 44 1 . . . . . . . 4.95 1 1 45 1 . . . . . . . 5.44 1 1 46 1 . . . . . . . 3.55 1 1 47 1 . . . . . . . 5.34 1 1 48 1 . . . . . . . 4.97 1 1 49 1 . . . . . . . 4.36 1 1 50 1 . . . . . . . 4.97 1 1 51 1 . . . . . . . 3.52 1 1 52 1 . . . . . . . 5.5 1 1 53 1 . . . . . . . 5.5 1 1 54 1 . . . . . . . 5.49 1 1 55 1 . . . . . . . 4.73 1 1 56 1 . . . . . . . 5.49 1 1 57 1 . . . . . . . 5.32 1 1 58 1 . . . . . . . 5.5 1 1 59 1 . . . . . . . 5.5 1 1 60 1 . . . . . . . 4.06 1 1 61 1 . . . . . . . 3.94 1 1 62 1 . . . . . . . 4.93 1 1 63 1 . . . . . . . 4.33 1 1 64 1 . . . . . . . 4.93 1 1 65 1 . . . . . . . 4.64 1 1 66 1 . . . . . . . 4.07 1 1 67 1 . . . . . . . 4.64 1 1 68 1 . . . . . . . 4.45 1 1 69 1 . . . . . . . 3.41 1 1 70 1 . . . . . . . 3.45 1 1 71 1 . . . . . . . 4.06 1 1 72 1 . . . . . . . 4.06 1 1 73 1 . . . . . . . 4.84 1 1 74 1 . . . . . . . 5.5 1 1 75 1 . . . . . . . 5.5 1 1 76 1 . . . . . . . 3.59 1 1 77 1 . . . . . . . 3.59 1 1 78 1 . . . . . . . 4.8 1 1 79 1 . . . . . . . 3.95 1 1 80 1 . . . . . . . 4.8 1 1 81 1 . . . . . . . 5.5 1 1 82 1 . . . . . . . 3.05 1 1 83 1 . . . . . . . 4.24 1 1 84 1 . . . . . . . 2.92 1 1 85 1 . . . . . . . 4.13 1 1 86 1 . . . . . . . 2.82 1 1 87 1 . . . . . . . 3.21 1 1 88 1 . . . . . . . 2.79 1 1 89 1 . . . . . . . 3.21 1 1 90 1 . . . . . . . 3.6 1 1 91 1 . . . . . . . 3.16 1 1 92 1 . . . . . . . 3.6 1 1 93 1 . . . . . . . 3.86 1 1 94 1 . . . . . . . 3.86 1 1 95 1 . . . . . . . 5.5 1 1 96 1 . . . . . . . 5.5 1 1 97 1 . . . . . . . 3.54 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 PRO C C 12.375 3.648 -0.192 1.00 . A A . 1 PRO C 1 1 1 2 1 1 1 PRO CA C 13.538 4.190 0.601 1.00 . A A . 1 PRO CA 1 1 1 3 1 1 1 PRO CB C 14.094 3.142 1.532 1.00 . A A . 1 PRO CB 1 1 1 4 1 1 1 PRO CD C 13.459 5.041 2.838 1.00 . A A . 1 PRO CD 1 1 1 5 1 1 1 PRO CG C 14.466 3.920 2.746 1.00 . A A . 1 PRO CG 1 1 1 6 1 1 1 PRO H2 H 12.777 6.038 0.708 1.00 . A A . 1 PRO H2 1 1 1 7 1 1 1 PRO H3 H 13.926 5.792 1.836 1.00 . A A . 1 PRO H3 1 1 1 8 1 1 1 PRO HA H 14.314 4.509 -0.076 1.00 . A A . 1 PRO HA 1 1 1 9 1 1 1 PRO HB2 H 13.333 2.403 1.739 1.00 . A A . 1 PRO HB2 1 1 1 10 1 1 1 PRO HB3 H 14.959 2.679 1.083 1.00 . A A . 1 PRO HB3 1 1 1 11 1 1 1 PRO HD2 H 12.643 4.654 3.433 1.00 . A A . 1 PRO HD2 1 1 1 12 1 1 1 PRO HD3 H 13.877 5.889 3.363 1.00 . A A . 1 PRO HD3 1 1 1 13 1 1 1 PRO HG2 H 14.409 3.285 3.617 1.00 . A A . 1 PRO HG2 1 1 1 14 1 1 1 PRO HG3 H 15.463 4.321 2.642 1.00 . A A . 1 PRO HG3 1 1 1 15 1 1 1 PRO N N 13.120 5.326 1.386 1.00 . A A . 1 PRO N 1 1 1 16 1 1 1 PRO O O 11.269 3.514 0.339 1.00 . A A . 1 PRO O 1 1 1 17 1 1 2 MET C C 10.951 1.571 -1.930 1.00 . A A . 2 MET C 1 1 1 18 1 1 2 MET CA C 11.633 2.853 -2.401 1.00 . A A . 2 MET CA 1 1 1 19 1 1 2 MET CB C 12.294 2.635 -3.769 1.00 . A A . 2 MET CB 1 1 1 20 1 1 2 MET CE C 9.346 2.862 -6.723 1.00 . A A . 2 MET CE 1 1 1 21 1 1 2 MET CG C 11.344 2.253 -4.900 1.00 . A A . 2 MET CG 1 1 1 22 1 1 2 MET H H 13.574 3.351 -1.751 1.00 . A A . 2 MET H 1 1 1 23 1 1 2 MET HA H 10.890 3.630 -2.500 1.00 . A A . 2 MET HA 1 1 1 24 1 1 2 MET HB2 H 12.800 3.545 -4.054 1.00 . A A . 2 MET HB2 1 1 1 25 1 1 2 MET HB3 H 13.031 1.852 -3.667 1.00 . A A . 2 MET HB3 1 1 1 26 1 1 2 MET HE1 H 10.100 2.788 -7.493 1.00 . A A . 2 MET HE1 1 1 1 27 1 1 2 MET HE2 H 8.561 3.527 -7.052 1.00 . A A . 2 MET HE2 1 1 1 28 1 1 2 MET HE3 H 8.931 1.884 -6.529 1.00 . A A . 2 MET HE3 1 1 1 29 1 1 2 MET HG2 H 11.920 2.109 -5.802 1.00 . A A . 2 MET HG2 1 1 1 30 1 1 2 MET HG3 H 10.850 1.329 -4.640 1.00 . A A . 2 MET HG3 1 1 1 31 1 1 2 MET N N 12.640 3.308 -1.442 1.00 . A A . 2 MET N 1 1 1 32 1 1 2 MET O O 9.731 1.433 -2.029 1.00 . A A . 2 MET O 1 1 1 33 1 1 2 MET SD S 10.089 3.512 -5.222 1.00 . A A . 2 MET SD 1 1 1 34 1 1 3 LYS C C 10.254 -0.427 0.272 1.00 . A A . 3 LYS C 1 1 1 35 1 1 3 LYS CA C 11.227 -0.616 -0.894 1.00 . A A . 3 LYS CA 1 1 1 36 1 1 3 LYS CB C 12.382 -1.540 -0.511 1.00 . A A . 3 LYS CB 1 1 1 37 1 1 3 LYS CD C 14.477 -2.758 -1.280 1.00 . A A . 3 LYS CD 1 1 1 38 1 1 3 LYS CE C 15.382 -2.075 -0.266 1.00 . A A . 3 LYS CE 1 1 1 39 1 1 3 LYS CG C 13.306 -1.871 -1.685 1.00 . A A . 3 LYS CG 1 1 1 40 1 1 3 LYS H H 12.697 0.860 -1.290 1.00 . A A . 3 LYS H 1 1 1 41 1 1 3 LYS HA H 10.680 -1.064 -1.711 1.00 . A A . 3 LYS HA 1 1 1 42 1 1 3 LYS HB2 H 12.960 -1.054 0.261 1.00 . A A . 3 LYS HB2 1 1 1 43 1 1 3 LYS HB3 H 11.978 -2.463 -0.123 1.00 . A A . 3 LYS HB3 1 1 1 44 1 1 3 LYS HD2 H 14.092 -3.670 -0.850 1.00 . A A . 3 LYS HD2 1 1 1 45 1 1 3 LYS HD3 H 15.053 -2.994 -2.163 1.00 . A A . 3 LYS HD3 1 1 1 46 1 1 3 LYS HE2 H 15.768 -1.166 -0.699 1.00 . A A . 3 LYS HE2 1 1 1 47 1 1 3 LYS HE3 H 14.807 -1.842 0.617 1.00 . A A . 3 LYS HE3 1 1 1 48 1 1 3 LYS HG2 H 12.730 -2.390 -2.435 1.00 . A A . 3 LYS HG2 1 1 1 49 1 1 3 LYS HG3 H 13.684 -0.952 -2.106 1.00 . A A . 3 LYS HG3 1 1 1 50 1 1 3 LYS HZ1 H 17.085 -2.435 0.845 1.00 . A A . 3 LYS HZ1 1 1 1 51 1 1 3 LYS HZ2 H 17.139 -3.116 -0.693 1.00 . A A . 3 LYS HZ2 1 1 1 52 1 1 3 LYS HZ3 H 16.192 -3.821 0.515 1.00 . A A . 3 LYS HZ3 1 1 1 53 1 1 3 LYS N N 11.736 0.666 -1.373 1.00 . A A . 3 LYS N 1 1 1 54 1 1 3 LYS NZ N 16.520 -2.917 0.118 1.00 . A A . 3 LYS NZ 1 1 1 55 1 1 3 LYS O O 9.283 -1.172 0.416 1.00 . A A . 3 LYS O 1 1 1 56 1 1 4 LEU C C 8.373 1.653 1.676 1.00 . A A . 4 LEU C 1 1 1 57 1 1 4 LEU CA C 9.603 0.919 2.177 1.00 . A A . 4 LEU CA 1 1 1 58 1 1 4 LEU CB C 10.310 1.740 3.260 1.00 . A A . 4 LEU CB 1 1 1 59 1 1 4 LEU CD1 C 12.051 1.971 5.039 1.00 . A A . 4 LEU CD1 1 1 1 60 1 1 4 LEU CD2 C 10.883 -0.210 4.739 1.00 . A A . 4 LEU CD2 1 1 1 61 1 1 4 LEU CG C 11.420 1.029 4.034 1.00 . A A . 4 LEU CG 1 1 1 62 1 1 4 LEU H H 11.292 1.139 0.912 1.00 . A A . 4 LEU H 1 1 1 63 1 1 4 LEU HA H 9.274 -0.016 2.605 1.00 . A A . 4 LEU HA 1 1 1 64 1 1 4 LEU HB2 H 10.738 2.613 2.788 1.00 . A A . 4 LEU HB2 1 1 1 65 1 1 4 LEU HB3 H 9.566 2.071 3.969 1.00 . A A . 4 LEU HB3 1 1 1 66 1 1 4 LEU HD11 H 12.467 2.824 4.524 1.00 . A A . 4 LEU HD11 1 1 1 67 1 1 4 LEU HD12 H 12.837 1.454 5.570 1.00 . A A . 4 LEU HD12 1 1 1 68 1 1 4 LEU HD13 H 11.300 2.305 5.740 1.00 . A A . 4 LEU HD13 1 1 1 69 1 1 4 LEU HD21 H 10.080 0.073 5.405 1.00 . A A . 4 LEU HD21 1 1 1 70 1 1 4 LEU HD22 H 11.677 -0.662 5.314 1.00 . A A . 4 LEU HD22 1 1 1 71 1 1 4 LEU HD23 H 10.520 -0.921 4.012 1.00 . A A . 4 LEU HD23 1 1 1 72 1 1 4 LEU HG H 12.183 0.719 3.337 1.00 . A A . 4 LEU HG 1 1 1 73 1 1 4 LEU N N 10.492 0.598 1.072 1.00 . A A . 4 LEU N 1 1 1 74 1 1 4 LEU O O 7.295 1.548 2.263 1.00 . A A . 4 LEU O 1 1 1 75 1 1 5 LEU C C 6.397 2.122 -0.597 1.00 . A A . 5 LEU C 1 1 1 76 1 1 5 LEU CA C 7.405 3.096 -0.022 1.00 . A A . 5 LEU CA 1 1 1 77 1 1 5 LEU CB C 7.867 4.087 -1.093 1.00 . A A . 5 LEU CB 1 1 1 78 1 1 5 LEU CD1 C 9.098 6.153 -1.768 1.00 . A A . 5 LEU CD1 1 1 1 79 1 1 5 LEU CD2 C 8.098 6.008 0.511 1.00 . A A . 5 LEU CD2 1 1 1 80 1 1 5 LEU CG C 8.761 5.231 -0.616 1.00 . A A . 5 LEU CG 1 1 1 81 1 1 5 LEU H H 9.412 2.449 0.169 1.00 . A A . 5 LEU H 1 1 1 82 1 1 5 LEU HA H 6.915 3.639 0.772 1.00 . A A . 5 LEU HA 1 1 1 83 1 1 5 LEU HB2 H 8.407 3.532 -1.846 1.00 . A A . 5 LEU HB2 1 1 1 84 1 1 5 LEU HB3 H 6.989 4.515 -1.553 1.00 . A A . 5 LEU HB3 1 1 1 85 1 1 5 LEU HD11 H 8.186 6.555 -2.184 1.00 . A A . 5 LEU HD11 1 1 1 86 1 1 5 LEU HD12 H 9.628 5.600 -2.529 1.00 . A A . 5 LEU HD12 1 1 1 87 1 1 5 LEU HD13 H 9.716 6.963 -1.412 1.00 . A A . 5 LEU HD13 1 1 1 88 1 1 5 LEU HD21 H 7.142 6.382 0.177 1.00 . A A . 5 LEU HD21 1 1 1 89 1 1 5 LEU HD22 H 8.732 6.839 0.783 1.00 . A A . 5 LEU HD22 1 1 1 90 1 1 5 LEU HD23 H 7.961 5.367 1.370 1.00 . A A . 5 LEU HD23 1 1 1 91 1 1 5 LEU HG H 9.688 4.818 -0.244 1.00 . A A . 5 LEU HG 1 1 1 92 1 1 5 LEU N N 8.523 2.379 0.580 1.00 . A A . 5 LEU N 1 1 1 93 1 1 5 LEU O O 5.210 2.426 -0.671 1.00 . A A . 5 LEU O 1 1 1 94 1 1 6 LYS C C 5.110 -0.579 -0.324 1.00 . A A . 6 LYS C 1 1 1 95 1 1 6 LYS CA C 6.015 -0.127 -1.462 1.00 . A A . 6 LYS CA 1 1 1 96 1 1 6 LYS CB C 6.845 -1.331 -1.926 1.00 . A A . 6 LYS CB 1 1 1 97 1 1 6 LYS CD C 7.078 -0.639 -4.328 1.00 . A A . 6 LYS CD 1 1 1 98 1 1 6 LYS CE C 8.026 -0.516 -5.511 1.00 . A A . 6 LYS CE 1 1 1 99 1 1 6 LYS CG C 7.807 -1.074 -3.075 1.00 . A A . 6 LYS CG 1 1 1 100 1 1 6 LYS H H 7.852 0.821 -0.977 1.00 . A A . 6 LYS H 1 1 1 101 1 1 6 LYS HA H 5.417 0.238 -2.284 1.00 . A A . 6 LYS HA 1 1 1 102 1 1 6 LYS HB2 H 7.425 -1.681 -1.086 1.00 . A A . 6 LYS HB2 1 1 1 103 1 1 6 LYS HB3 H 6.163 -2.114 -2.223 1.00 . A A . 6 LYS HB3 1 1 1 104 1 1 6 LYS HD2 H 6.317 -1.369 -4.560 1.00 . A A . 6 LYS HD2 1 1 1 105 1 1 6 LYS HD3 H 6.613 0.317 -4.146 1.00 . A A . 6 LYS HD3 1 1 1 106 1 1 6 LYS HE2 H 7.495 -0.102 -6.355 1.00 . A A . 6 LYS HE2 1 1 1 107 1 1 6 LYS HE3 H 8.828 0.152 -5.234 1.00 . A A . 6 LYS HE3 1 1 1 108 1 1 6 LYS HG2 H 8.496 -0.294 -2.785 1.00 . A A . 6 LYS HG2 1 1 1 109 1 1 6 LYS HG3 H 8.356 -1.981 -3.281 1.00 . A A . 6 LYS HG3 1 1 1 110 1 1 6 LYS HZ1 H 7.864 -2.513 -6.126 1.00 . A A . 6 LYS HZ1 1 1 1 111 1 1 6 LYS HZ2 H 9.217 -2.197 -5.150 1.00 . A A . 6 LYS HZ2 1 1 1 112 1 1 6 LYS HZ3 H 9.205 -1.698 -6.744 1.00 . A A . 6 LYS HZ3 1 1 1 113 1 1 6 LYS N N 6.878 0.947 -0.987 1.00 . A A . 6 LYS N 1 1 1 114 1 1 6 LYS NZ N 8.607 -1.821 -5.903 1.00 . A A . 6 LYS NZ 1 1 1 115 1 1 6 LYS O O 3.911 -0.766 -0.496 1.00 . A A . 6 LYS O 1 1 1 116 1 1 7 ARG C C 4.016 -0.096 2.512 1.00 . A A . 7 ARG C 1 1 1 117 1 1 7 ARG CA C 5.008 -1.165 2.050 1.00 . A A . 7 ARG CA 1 1 1 118 1 1 7 ARG CB C 6.021 -1.460 3.165 1.00 . A A . 7 ARG CB 1 1 1 119 1 1 7 ARG CD C 6.491 -3.878 2.538 1.00 . A A . 7 ARG CD 1 1 1 120 1 1 7 ARG CG C 7.086 -2.495 2.793 1.00 . A A . 7 ARG CG 1 1 1 121 1 1 7 ARG CZ C 5.475 -5.695 3.914 1.00 . A A . 7 ARG CZ 1 1 1 122 1 1 7 ARG H H 6.665 -0.507 0.897 1.00 . A A . 7 ARG H 1 1 1 123 1 1 7 ARG HA H 4.468 -2.069 1.813 1.00 . A A . 7 ARG HA 1 1 1 124 1 1 7 ARG HB2 H 6.522 -0.540 3.425 1.00 . A A . 7 ARG HB2 1 1 1 125 1 1 7 ARG HB3 H 5.484 -1.820 4.030 1.00 . A A . 7 ARG HB3 1 1 1 126 1 1 7 ARG HD2 H 5.764 -3.811 1.742 1.00 . A A . 7 ARG HD2 1 1 1 127 1 1 7 ARG HD3 H 7.284 -4.549 2.242 1.00 . A A . 7 ARG HD3 1 1 1 128 1 1 7 ARG HE H 5.681 -3.762 4.451 1.00 . A A . 7 ARG HE 1 1 1 129 1 1 7 ARG HG2 H 7.587 -2.165 1.895 1.00 . A A . 7 ARG HG2 1 1 1 130 1 1 7 ARG HG3 H 7.805 -2.561 3.596 1.00 . A A . 7 ARG HG3 1 1 1 131 1 1 7 ARG HH11 H 6.136 -6.380 2.089 1.00 . A A . 7 ARG HH11 1 1 1 132 1 1 7 ARG HH12 H 5.435 -7.565 3.084 1.00 . A A . 7 ARG HH12 1 1 1 133 1 1 7 ARG HH21 H 4.703 -5.410 5.793 1.00 . A A . 7 ARG HH21 1 1 1 134 1 1 7 ARG HH22 H 4.605 -7.009 5.214 1.00 . A A . 7 ARG HH22 1 1 1 135 1 1 7 ARG N N 5.709 -0.718 0.850 1.00 . A A . 7 ARG N 1 1 1 136 1 1 7 ARG NE N 5.840 -4.419 3.736 1.00 . A A . 7 ARG NE 1 1 1 137 1 1 7 ARG NH1 N 5.697 -6.605 2.963 1.00 . A A . 7 ARG NH1 1 1 1 138 1 1 7 ARG NH2 N 4.888 -6.061 5.052 1.00 . A A . 7 ARG NH2 1 1 1 139 1 1 7 ARG O O 2.931 -0.404 3.032 1.00 . A A . 7 ARG O 1 1 1 140 1 1 8 LEU C C 2.378 2.340 1.704 1.00 . A A . 8 LEU C 1 1 1 141 1 1 8 LEU CA C 3.557 2.285 2.668 1.00 . A A . 8 LEU CA 1 1 1 142 1 1 8 LEU CB C 4.380 3.586 2.585 1.00 . A A . 8 LEU CB 1 1 1 143 1 1 8 LEU CD1 C 3.180 4.888 4.376 1.00 . A A . 8 LEU CD1 1 1 1 144 1 1 8 LEU CD2 C 4.570 6.084 2.682 1.00 . A A . 8 LEU CD2 1 1 1 145 1 1 8 LEU CG C 3.658 4.895 2.934 1.00 . A A . 8 LEU CG 1 1 1 146 1 1 8 LEU H H 5.299 1.315 1.971 1.00 . A A . 8 LEU H 1 1 1 147 1 1 8 LEU HA H 3.192 2.157 3.676 1.00 . A A . 8 LEU HA 1 1 1 148 1 1 8 LEU HB2 H 5.227 3.491 3.247 1.00 . A A . 8 LEU HB2 1 1 1 149 1 1 8 LEU HB3 H 4.753 3.670 1.575 1.00 . A A . 8 LEU HB3 1 1 1 150 1 1 8 LEU HD11 H 4.027 4.787 5.038 1.00 . A A . 8 LEU HD11 1 1 1 151 1 1 8 LEU HD12 H 2.505 4.058 4.525 1.00 . A A . 8 LEU HD12 1 1 1 152 1 1 8 LEU HD13 H 2.664 5.813 4.589 1.00 . A A . 8 LEU HD13 1 1 1 153 1 1 8 LEU HD21 H 4.046 6.998 2.920 1.00 . A A . 8 LEU HD21 1 1 1 154 1 1 8 LEU HD22 H 4.869 6.099 1.645 1.00 . A A . 8 LEU HD22 1 1 1 155 1 1 8 LEU HD23 H 5.447 6.002 3.308 1.00 . A A . 8 LEU HD23 1 1 1 156 1 1 8 LEU HG H 2.790 4.996 2.298 1.00 . A A . 8 LEU HG 1 1 1 157 1 1 8 LEU N N 4.401 1.152 2.332 1.00 . A A . 8 LEU N 1 1 1 158 1 1 8 LEU O O 1.214 2.332 2.118 1.00 . A A . 8 LEU O 1 1 1 159 1 1 9 GLY C C 0.712 1.300 -0.607 1.00 . A A . 9 GLY C 1 1 1 160 1 1 9 GLY CA C 1.716 2.419 -0.632 1.00 . A A . 9 GLY CA 1 1 1 161 1 1 9 GLY H H 3.649 2.244 0.168 1.00 . A A . 9 GLY H 1 1 1 162 1 1 9 GLY HA2 H 1.189 3.356 -0.531 1.00 . A A . 9 GLY HA2 1 1 1 163 1 1 9 GLY HA3 H 2.223 2.407 -1.585 1.00 . A A . 9 GLY HA3 1 1 1 164 1 1 9 GLY N N 2.702 2.322 0.421 1.00 . A A . 9 GLY N 1 1 1 165 1 1 9 GLY O O -0.455 1.522 -0.894 1.00 . A A . 9 GLY O 1 1 1 166 1 1 10 LYS C C -0.868 -0.806 0.810 1.00 . A A . 10 LYS C 1 1 1 167 1 1 10 LYS CA C 0.296 -1.062 -0.154 1.00 . A A . 10 LYS CA 1 1 1 168 1 1 10 LYS CB C 1.096 -2.301 0.277 1.00 . A A . 10 LYS CB 1 1 1 169 1 1 10 LYS CD C 1.141 -4.782 0.677 1.00 . A A . 10 LYS CD 1 1 1 170 1 1 10 LYS CE C 0.324 -6.061 0.689 1.00 . A A . 10 LYS CE 1 1 1 171 1 1 10 LYS CG C 0.282 -3.586 0.315 1.00 . A A . 10 LYS CG 1 1 1 172 1 1 10 LYS H H 2.124 -0.001 -0.068 1.00 . A A . 10 LYS H 1 1 1 173 1 1 10 LYS HA H -0.111 -1.238 -1.139 1.00 . A A . 10 LYS HA 1 1 1 174 1 1 10 LYS HB2 H 1.916 -2.440 -0.412 1.00 . A A . 10 LYS HB2 1 1 1 175 1 1 10 LYS HB3 H 1.498 -2.124 1.264 1.00 . A A . 10 LYS HB3 1 1 1 176 1 1 10 LYS HD2 H 1.930 -4.880 -0.054 1.00 . A A . 10 LYS HD2 1 1 1 177 1 1 10 LYS HD3 H 1.570 -4.628 1.656 1.00 . A A . 10 LYS HD3 1 1 1 178 1 1 10 LYS HE2 H -0.448 -5.969 1.439 1.00 . A A . 10 LYS HE2 1 1 1 179 1 1 10 LYS HE3 H -0.136 -6.190 -0.280 1.00 . A A . 10 LYS HE3 1 1 1 180 1 1 10 LYS HG2 H -0.503 -3.483 1.049 1.00 . A A . 10 LYS HG2 1 1 1 181 1 1 10 LYS HG3 H -0.155 -3.748 -0.660 1.00 . A A . 10 LYS HG3 1 1 1 182 1 1 10 LYS HZ1 H 1.882 -7.405 0.271 1.00 . A A . 10 LYS HZ1 1 1 1 183 1 1 10 LYS HZ2 H 0.556 -8.098 1.074 1.00 . A A . 10 LYS HZ2 1 1 1 184 1 1 10 LYS HZ3 H 1.622 -7.129 1.914 1.00 . A A . 10 LYS HZ3 1 1 1 185 1 1 10 LYS N N 1.164 0.104 -0.247 1.00 . A A . 10 LYS N 1 1 1 186 1 1 10 LYS NZ N 1.153 -7.249 0.997 1.00 . A A . 10 LYS NZ 1 1 1 187 1 1 10 LYS O O -2.017 -1.054 0.476 1.00 . A A . 10 LYS O 1 1 1 188 1 1 11 LYS C C -2.512 1.169 2.501 1.00 . A A . 11 LYS C 1 1 1 189 1 1 11 LYS CA C -1.607 0.037 2.963 1.00 . A A . 11 LYS CA 1 1 1 190 1 1 11 LYS CB C -1.012 0.347 4.342 1.00 . A A . 11 LYS CB 1 1 1 191 1 1 11 LYS CD C 0.151 -0.527 6.416 1.00 . A A . 11 LYS CD 1 1 1 192 1 1 11 LYS CE C 1.307 0.465 6.428 1.00 . A A . 11 LYS CE 1 1 1 193 1 1 11 LYS CG C -0.336 -0.847 5.003 1.00 . A A . 11 LYS CG 1 1 1 194 1 1 11 LYS H H 0.362 -0.002 2.159 1.00 . A A . 11 LYS H 1 1 1 195 1 1 11 LYS HA H -2.214 -0.854 3.039 1.00 . A A . 11 LYS HA 1 1 1 196 1 1 11 LYS HB2 H -0.281 1.134 4.227 1.00 . A A . 11 LYS HB2 1 1 1 197 1 1 11 LYS HB3 H -1.802 0.695 4.992 1.00 . A A . 11 LYS HB3 1 1 1 198 1 1 11 LYS HD2 H -0.668 -0.105 6.978 1.00 . A A . 11 LYS HD2 1 1 1 199 1 1 11 LYS HD3 H 0.469 -1.445 6.890 1.00 . A A . 11 LYS HD3 1 1 1 200 1 1 11 LYS HE2 H 1.004 1.365 5.915 1.00 . A A . 11 LYS HE2 1 1 1 201 1 1 11 LYS HE3 H 1.546 0.701 7.455 1.00 . A A . 11 LYS HE3 1 1 1 202 1 1 11 LYS HG2 H -1.048 -1.656 5.064 1.00 . A A . 11 LYS HG2 1 1 1 203 1 1 11 LYS HG3 H 0.506 -1.151 4.399 1.00 . A A . 11 LYS HG3 1 1 1 204 1 1 11 LYS HZ1 H 2.796 -0.977 6.196 1.00 . A A . 11 LYS HZ1 1 1 1 205 1 1 11 LYS HZ2 H 3.305 0.578 5.915 1.00 . A A . 11 LYS HZ2 1 1 1 206 1 1 11 LYS HZ3 H 2.383 -0.214 4.744 1.00 . A A . 11 LYS HZ3 1 1 1 207 1 1 11 LYS N N -0.569 -0.246 1.974 1.00 . A A . 11 LYS N 1 1 1 208 1 1 11 LYS NZ N 2.510 -0.074 5.768 1.00 . A A . 11 LYS NZ 1 1 1 209 1 1 11 LYS O O -3.732 1.128 2.692 1.00 . A A . 11 LYS O 1 1 1 210 1 1 12 ILE C C -3.619 2.866 0.230 1.00 . A A . 12 ILE C 1 1 1 211 1 1 12 ILE CA C -2.668 3.292 1.360 1.00 . A A . 12 ILE CA 1 1 1 212 1 1 12 ILE CB C -1.723 4.435 0.884 1.00 . A A . 12 ILE CB 1 1 1 213 1 1 12 ILE CD1 C 0.169 5.981 1.686 1.00 . A A . 12 ILE CD1 1 1 1 214 1 1 12 ILE CG1 C -0.833 4.902 2.052 1.00 . A A . 12 ILE CG1 1 1 1 215 1 1 12 ILE CG2 C -2.534 5.608 0.329 1.00 . A A . 12 ILE CG2 1 1 1 216 1 1 12 ILE H H -0.950 2.118 1.726 1.00 . A A . 12 ILE H 1 1 1 217 1 1 12 ILE HA H -3.271 3.659 2.177 1.00 . A A . 12 ILE HA 1 1 1 218 1 1 12 ILE HB H -1.093 4.052 0.096 1.00 . A A . 12 ILE HB 1 1 1 219 1 1 12 ILE HD11 H 0.746 6.248 2.560 1.00 . A A . 12 ILE HD11 1 1 1 220 1 1 12 ILE HD12 H -0.357 6.852 1.324 1.00 . A A . 12 ILE HD12 1 1 1 221 1 1 12 ILE HD13 H 0.831 5.613 0.916 1.00 . A A . 12 ILE HD13 1 1 1 222 1 1 12 ILE HG12 H -1.461 5.294 2.837 1.00 . A A . 12 ILE HG12 1 1 1 223 1 1 12 ILE HG13 H -0.285 4.052 2.434 1.00 . A A . 12 ILE HG13 1 1 1 224 1 1 12 ILE HG21 H -1.863 6.395 0.017 1.00 . A A . 12 ILE HG21 1 1 1 225 1 1 12 ILE HG22 H -3.196 5.984 1.095 1.00 . A A . 12 ILE HG22 1 1 1 226 1 1 12 ILE HG23 H -3.115 5.272 -0.517 1.00 . A A . 12 ILE HG23 1 1 1 227 1 1 12 ILE N N -1.922 2.155 1.860 1.00 . A A . 12 ILE N 1 1 1 228 1 1 12 ILE O O -4.811 3.189 0.256 1.00 . A A . 12 ILE O 1 1 1 229 1 1 13 ARG C C -4.958 0.633 -1.442 1.00 . A A . 13 ARG C 1 1 1 230 1 1 13 ARG CA C -3.923 1.677 -1.857 1.00 . A A . 13 ARG CA 1 1 1 231 1 1 13 ARG CB C -3.076 1.169 -3.042 1.00 . A A . 13 ARG CB 1 1 1 232 1 1 13 ARG CD C -1.717 -0.658 -4.116 1.00 . A A . 13 ARG CD 1 1 1 233 1 1 13 ARG CG C -2.435 -0.199 -2.853 1.00 . A A . 13 ARG CG 1 1 1 234 1 1 13 ARG CZ C -2.528 -1.504 -6.338 1.00 . A A . 13 ARG CZ 1 1 1 235 1 1 13 ARG H H -2.166 1.821 -0.671 1.00 . A A . 13 ARG H 1 1 1 236 1 1 13 ARG HA H -4.469 2.554 -2.173 1.00 . A A . 13 ARG HA 1 1 1 237 1 1 13 ARG HB2 H -3.700 1.130 -3.921 1.00 . A A . 13 ARG HB2 1 1 1 238 1 1 13 ARG HB3 H -2.288 1.886 -3.219 1.00 . A A . 13 ARG HB3 1 1 1 239 1 1 13 ARG HD2 H -0.891 0.013 -4.307 1.00 . A A . 13 ARG HD2 1 1 1 240 1 1 13 ARG HD3 H -1.338 -1.656 -3.958 1.00 . A A . 13 ARG HD3 1 1 1 241 1 1 13 ARG HE H -3.295 0.044 -5.320 1.00 . A A . 13 ARG HE 1 1 1 242 1 1 13 ARG HG2 H -1.723 -0.138 -2.043 1.00 . A A . 13 ARG HG2 1 1 1 243 1 1 13 ARG HG3 H -3.205 -0.913 -2.601 1.00 . A A . 13 ARG HG3 1 1 1 244 1 1 13 ARG HH11 H -1.110 -2.733 -5.519 1.00 . A A . 13 ARG HH11 1 1 1 245 1 1 13 ARG HH12 H -1.628 -3.172 -7.082 1.00 . A A . 13 ARG HH12 1 1 1 246 1 1 13 ARG HH21 H -3.967 -0.551 -7.418 1.00 . A A . 13 ARG HH21 1 1 1 247 1 1 13 ARG HH22 H -3.295 -1.911 -8.206 1.00 . A A . 13 ARG HH22 1 1 1 248 1 1 13 ARG N N -3.112 2.096 -0.723 1.00 . A A . 13 ARG N 1 1 1 249 1 1 13 ARG NE N -2.610 -0.664 -5.295 1.00 . A A . 13 ARG NE 1 1 1 250 1 1 13 ARG NH1 N -1.697 -2.540 -6.309 1.00 . A A . 13 ARG NH1 1 1 1 251 1 1 13 ARG NH2 N -3.315 -1.317 -7.397 1.00 . A A . 13 ARG NH2 1 1 1 252 1 1 13 ARG O O -6.036 0.552 -2.035 1.00 . A A . 13 ARG O 1 1 1 253 1 1 14 LEU C C -6.759 -0.449 0.734 1.00 . A A . 14 LEU C 1 1 1 254 1 1 14 LEU CA C -5.573 -1.145 0.084 1.00 . A A . 14 LEU CA 1 1 1 255 1 1 14 LEU CB C -4.889 -2.075 1.090 1.00 . A A . 14 LEU CB 1 1 1 256 1 1 14 LEU CD1 C -6.142 -4.158 0.508 1.00 . A A . 14 LEU CD1 1 1 1 257 1 1 14 LEU CD2 C -4.998 -3.981 2.703 1.00 . A A . 14 LEU CD2 1 1 1 258 1 1 14 LEU CG C -5.740 -3.225 1.627 1.00 . A A . 14 LEU CG 1 1 1 259 1 1 14 LEU H H -3.755 -0.075 -0.004 1.00 . A A . 14 LEU H 1 1 1 260 1 1 14 LEU HA H -5.922 -1.722 -0.759 1.00 . A A . 14 LEU HA 1 1 1 261 1 1 14 LEU HB2 H -4.014 -2.496 0.617 1.00 . A A . 14 LEU HB2 1 1 1 262 1 1 14 LEU HB3 H -4.566 -1.477 1.929 1.00 . A A . 14 LEU HB3 1 1 1 263 1 1 14 LEU HD11 H -5.258 -4.577 0.052 1.00 . A A . 14 LEU HD11 1 1 1 264 1 1 14 LEU HD12 H -6.707 -3.612 -0.233 1.00 . A A . 14 LEU HD12 1 1 1 265 1 1 14 LEU HD13 H -6.753 -4.954 0.908 1.00 . A A . 14 LEU HD13 1 1 1 266 1 1 14 LEU HD21 H -4.092 -4.399 2.289 1.00 . A A . 14 LEU HD21 1 1 1 267 1 1 14 LEU HD22 H -5.623 -4.775 3.080 1.00 . A A . 14 LEU HD22 1 1 1 268 1 1 14 LEU HD23 H -4.748 -3.305 3.507 1.00 . A A . 14 LEU HD23 1 1 1 269 1 1 14 LEU HG H -6.645 -2.822 2.057 1.00 . A A . 14 LEU HG 1 1 1 270 1 1 14 LEU N N -4.643 -0.147 -0.419 1.00 . A A . 14 LEU N 1 1 1 271 1 1 14 LEU O O -7.914 -0.860 0.561 1.00 . A A . 14 LEU O 1 1 1 272 1 1 15 ALA C C -8.283 2.201 1.040 1.00 . A A . 15 ALA C 1 1 1 273 1 1 15 ALA CA C -7.493 1.429 2.089 1.00 . A A . 15 ALA CA 1 1 1 274 1 1 15 ALA CB C -6.868 2.384 3.091 1.00 . A A . 15 ALA CB 1 1 1 275 1 1 15 ALA H H -5.525 0.884 1.559 1.00 . A A . 15 ALA H 1 1 1 276 1 1 15 ALA HA H -8.160 0.761 2.613 1.00 . A A . 15 ALA HA 1 1 1 277 1 1 15 ALA HB1 H -6.298 1.821 3.816 1.00 . A A . 15 ALA HB1 1 1 1 278 1 1 15 ALA HB2 H -7.645 2.938 3.596 1.00 . A A . 15 ALA HB2 1 1 1 279 1 1 15 ALA HB3 H -6.213 3.070 2.574 1.00 . A A . 15 ALA HB3 1 1 1 280 1 1 15 ALA N N -6.468 0.630 1.448 1.00 . A A . 15 ALA N 1 1 1 281 1 1 15 ALA O O -9.462 2.507 1.226 1.00 . A A . 15 ALA O 1 1 1 282 1 1 16 ALA C C -9.256 2.326 -1.875 1.00 . A A . 16 ALA C 1 1 1 283 1 1 16 ALA CA C -8.250 3.216 -1.166 1.00 . A A . 16 ALA CA 1 1 1 284 1 1 16 ALA CB C -7.204 3.711 -2.144 1.00 . A A . 16 ALA CB 1 1 1 285 1 1 16 ALA H H -6.673 2.283 -0.112 1.00 . A A . 16 ALA H 1 1 1 286 1 1 16 ALA HA H -8.767 4.070 -0.756 1.00 . A A . 16 ALA HA 1 1 1 287 1 1 16 ALA HB1 H -6.710 2.865 -2.596 1.00 . A A . 16 ALA HB1 1 1 1 288 1 1 16 ALA HB2 H -6.475 4.303 -1.611 1.00 . A A . 16 ALA HB2 1 1 1 289 1 1 16 ALA HB3 H -7.673 4.311 -2.910 1.00 . A A . 16 ALA HB3 1 1 1 290 1 1 16 ALA N N -7.626 2.513 -0.060 1.00 . A A . 16 ALA N 1 1 1 291 1 1 16 ALA O O -10.357 2.763 -2.199 1.00 . A A . 16 ALA O 1 1 1 292 1 1 17 ALA C C -10.838 -0.391 -1.819 1.00 . A A . 17 ALA C 1 1 1 293 1 1 17 ALA CA C -9.727 0.096 -2.744 1.00 . A A . 17 ALA CA 1 1 1 294 1 1 17 ALA CB C -8.898 -1.081 -3.236 1.00 . A A . 17 ALA CB 1 1 1 295 1 1 17 ALA H H -7.976 0.801 -1.799 1.00 . A A . 17 ALA H 1 1 1 296 1 1 17 ALA HA H -10.176 0.576 -3.602 1.00 . A A . 17 ALA HA 1 1 1 297 1 1 17 ALA HB1 H -8.125 -0.723 -3.899 1.00 . A A . 17 ALA HB1 1 1 1 298 1 1 17 ALA HB2 H -9.534 -1.775 -3.765 1.00 . A A . 17 ALA HB2 1 1 1 299 1 1 17 ALA HB3 H -8.445 -1.579 -2.391 1.00 . A A . 17 ALA HB3 1 1 1 300 1 1 17 ALA N N -8.877 1.075 -2.082 1.00 . A A . 17 ALA N 1 1 1 301 1 1 17 ALA O O -11.874 -0.888 -2.285 1.00 . A A . 17 ALA O 1 1 1 302 1 1 18 PHE C C -12.913 -0.087 0.312 1.00 . A A . 18 PHE C 1 1 1 303 1 1 18 PHE CA C -11.534 -0.708 0.520 1.00 . A A . 18 PHE CA 1 1 1 304 1 1 18 PHE CB C -10.984 -0.358 1.918 1.00 . A A . 18 PHE CB 1 1 1 305 1 1 18 PHE CD1 C -12.782 -0.121 3.671 1.00 . A A . 18 PHE CD1 1 1 1 306 1 1 18 PHE CD2 C -11.580 -2.176 3.540 1.00 . A A . 18 PHE CD2 1 1 1 307 1 1 18 PHE CE1 C -13.525 -0.621 4.719 1.00 . A A . 18 PHE CE1 1 1 1 308 1 1 18 PHE CE2 C -12.320 -2.679 4.589 1.00 . A A . 18 PHE CE2 1 1 1 309 1 1 18 PHE CG C -11.799 -0.894 3.067 1.00 . A A . 18 PHE CG 1 1 1 310 1 1 18 PHE CZ C -13.294 -1.901 5.178 1.00 . A A . 18 PHE CZ 1 1 1 311 1 1 18 PHE H H -9.737 0.107 -0.241 1.00 . A A . 18 PHE H 1 1 1 312 1 1 18 PHE HA H -11.633 -1.780 0.448 1.00 . A A . 18 PHE HA 1 1 1 313 1 1 18 PHE HB2 H -9.985 -0.759 2.012 1.00 . A A . 18 PHE HB2 1 1 1 314 1 1 18 PHE HB3 H -10.937 0.717 2.013 1.00 . A A . 18 PHE HB3 1 1 1 315 1 1 18 PHE HD1 H -12.967 0.881 3.313 1.00 . A A . 18 PHE HD1 1 1 1 316 1 1 18 PHE HD2 H -10.817 -2.788 3.082 1.00 . A A . 18 PHE HD2 1 1 1 317 1 1 18 PHE HE1 H -14.287 -0.009 5.180 1.00 . A A . 18 PHE HE1 1 1 1 318 1 1 18 PHE HE2 H -12.138 -3.681 4.948 1.00 . A A . 18 PHE HE2 1 1 1 319 1 1 18 PHE HZ H -13.875 -2.296 5.999 1.00 . A A . 18 PHE HZ 1 1 1 320 1 1 18 PHE N N -10.598 -0.274 -0.514 1.00 . A A . 18 PHE N 1 1 1 321 1 1 18 PHE O O -13.920 -0.802 0.226 1.00 . A A . 18 PHE O 1 1 1 322 1 1 19 LYS C C -14.432 2.039 -1.503 1.00 . A A . 19 LYS C 1 1 1 323 1 1 19 LYS CA C -14.198 1.882 -0.001 1.00 . A A . 19 LYS CA 1 1 1 324 1 1 19 LYS CB C -14.310 3.230 0.776 1.00 . A A . 19 LYS CB 1 1 1 325 1 1 19 LYS CD C -12.051 4.287 0.239 1.00 . A A . 19 LYS CD 1 1 1 326 1 1 19 LYS CE C -11.385 5.431 -0.503 1.00 . A A . 19 LYS CE 1 1 1 327 1 1 19 LYS CG C -13.554 4.443 0.218 1.00 . A A . 19 LYS CG 1 1 1 328 1 1 19 LYS H H -12.150 1.758 0.267 1.00 . A A . 19 LYS H 1 1 1 329 1 1 19 LYS HA H -14.955 1.201 0.361 1.00 . A A . 19 LYS HA 1 1 1 330 1 1 19 LYS HB2 H -15.354 3.489 0.803 1.00 . A A . 19 LYS HB2 1 1 1 331 1 1 19 LYS HB3 H -13.981 3.059 1.791 1.00 . A A . 19 LYS HB3 1 1 1 332 1 1 19 LYS HD2 H -11.706 4.271 1.262 1.00 . A A . 19 LYS HD2 1 1 1 333 1 1 19 LYS HD3 H -11.787 3.361 -0.249 1.00 . A A . 19 LYS HD3 1 1 1 334 1 1 19 LYS HE2 H -11.697 6.363 -0.054 1.00 . A A . 19 LYS HE2 1 1 1 335 1 1 19 LYS HE3 H -10.314 5.335 -0.419 1.00 . A A . 19 LYS HE3 1 1 1 336 1 1 19 LYS HG2 H -13.860 4.592 -0.805 1.00 . A A . 19 LYS HG2 1 1 1 337 1 1 19 LYS HG3 H -13.828 5.314 0.795 1.00 . A A . 19 LYS HG3 1 1 1 338 1 1 19 LYS HZ1 H -11.273 6.191 -2.456 1.00 . A A . 19 LYS HZ1 1 1 1 339 1 1 19 LYS HZ2 H -12.783 5.642 -2.027 1.00 . A A . 19 LYS HZ2 1 1 1 340 1 1 19 LYS HZ3 H -11.566 4.519 -2.384 1.00 . A A . 19 LYS HZ3 1 1 1 341 1 1 19 LYS N N -12.962 1.217 0.215 1.00 . A A . 19 LYS N 1 1 1 342 1 1 19 LYS NZ N -11.765 5.438 -1.938 1.00 . A A . 19 LYS NZ 1 1 1 343 1 1 19 LYS O O -15.382 1.436 -2.027 1.00 . A A . 19 LYS O 1 1 1 344 1 1 19 LYS OXT O -13.608 2.683 -2.193 1.00 . A A . 19 LYS OXT 1 1 2 345 1 1 1 PRO C C 13.506 2.699 0.819 1.00 . A A . 1 PRO C 1 1 2 346 1 1 1 PRO CA C 14.833 2.686 1.565 1.00 . A A . 1 PRO CA 1 1 2 347 1 1 1 PRO CB C 14.728 1.795 2.797 1.00 . A A . 1 PRO CB 1 1 2 348 1 1 1 PRO CD C 15.515 3.979 3.462 1.00 . A A . 1 PRO CD 1 1 2 349 1 1 1 PRO CG C 14.745 2.766 3.942 1.00 . A A . 1 PRO CG 1 1 2 350 1 1 1 PRO H2 H 14.531 4.428 2.664 1.00 . A A . 1 PRO H2 1 1 2 351 1 1 1 PRO H3 H 15.103 4.610 1.124 1.00 . A A . 1 PRO H3 1 1 2 352 1 1 1 PRO HA H 15.600 2.296 0.915 1.00 . A A . 1 PRO HA 1 1 2 353 1 1 1 PRO HB2 H 13.808 1.231 2.755 1.00 . A A . 1 PRO HB2 1 1 2 354 1 1 1 PRO HB3 H 15.569 1.120 2.841 1.00 . A A . 1 PRO HB3 1 1 2 355 1 1 1 PRO HD2 H 15.192 4.848 4.022 1.00 . A A . 1 PRO HD2 1 1 2 356 1 1 1 PRO HD3 H 16.561 3.805 3.678 1.00 . A A . 1 PRO HD3 1 1 2 357 1 1 1 PRO HG2 H 13.732 3.047 4.191 1.00 . A A . 1 PRO HG2 1 1 2 358 1 1 1 PRO HG3 H 15.230 2.327 4.800 1.00 . A A . 1 PRO HG3 1 1 2 359 1 1 1 PRO N N 15.201 4.027 1.982 1.00 . A A . 1 PRO N 1 1 2 360 1 1 1 PRO O O 12.435 2.786 1.430 1.00 . A A . 1 PRO O 1 1 2 361 1 1 2 MET C C 11.385 1.569 -1.076 1.00 . A A . 2 MET C 1 1 2 362 1 1 2 MET CA C 12.418 2.632 -1.394 1.00 . A A . 2 MET CA 1 1 2 363 1 1 2 MET CB C 12.840 2.513 -2.857 1.00 . A A . 2 MET CB 1 1 2 364 1 1 2 MET CE C 13.913 6.385 -3.853 1.00 . A A . 2 MET CE 1 1 2 365 1 1 2 MET CG C 13.629 3.696 -3.364 1.00 . A A . 2 MET CG 1 1 2 366 1 1 2 MET H H 14.475 2.446 -0.899 1.00 . A A . 2 MET H 1 1 2 367 1 1 2 MET HA H 11.958 3.599 -1.260 1.00 . A A . 2 MET HA 1 1 2 368 1 1 2 MET HB2 H 13.447 1.627 -2.973 1.00 . A A . 2 MET HB2 1 1 2 369 1 1 2 MET HB3 H 11.953 2.411 -3.464 1.00 . A A . 2 MET HB3 1 1 2 370 1 1 2 MET HE1 H 14.246 6.089 -4.837 1.00 . A A . 2 MET HE1 1 1 2 371 1 1 2 MET HE2 H 14.751 6.396 -3.173 1.00 . A A . 2 MET HE2 1 1 2 372 1 1 2 MET HE3 H 13.484 7.375 -3.903 1.00 . A A . 2 MET HE3 1 1 2 373 1 1 2 MET HG2 H 14.520 3.802 -2.763 1.00 . A A . 2 MET HG2 1 1 2 374 1 1 2 MET HG3 H 13.905 3.519 -4.393 1.00 . A A . 2 MET HG3 1 1 2 375 1 1 2 MET N N 13.587 2.582 -0.502 1.00 . A A . 2 MET N 1 1 2 376 1 1 2 MET O O 10.179 1.799 -1.234 1.00 . A A . 2 MET O 1 1 2 377 1 1 2 MET SD S 12.686 5.227 -3.274 1.00 . A A . 2 MET SD 1 1 2 378 1 1 3 LYS C C 9.921 -0.326 0.798 1.00 . A A . 3 LYS C 1 1 2 379 1 1 3 LYS CA C 10.957 -0.687 -0.277 1.00 . A A . 3 LYS CA 1 1 2 380 1 1 3 LYS CB C 11.752 -1.946 0.113 1.00 . A A . 3 LYS CB 1 1 2 381 1 1 3 LYS CD C 13.400 -3.104 1.601 1.00 . A A . 3 LYS CD 1 1 2 382 1 1 3 LYS CE C 14.300 -2.994 2.819 1.00 . A A . 3 LYS CE 1 1 2 383 1 1 3 LYS CG C 12.630 -1.815 1.351 1.00 . A A . 3 LYS CG 1 1 2 384 1 1 3 LYS H H 12.812 0.334 -0.455 1.00 . A A . 3 LYS H 1 1 2 385 1 1 3 LYS HA H 10.411 -0.899 -1.185 1.00 . A A . 3 LYS HA 1 1 2 386 1 1 3 LYS HB2 H 11.063 -2.760 0.281 1.00 . A A . 3 LYS HB2 1 1 2 387 1 1 3 LYS HB3 H 12.389 -2.205 -0.718 1.00 . A A . 3 LYS HB3 1 1 2 388 1 1 3 LYS HD2 H 12.698 -3.909 1.758 1.00 . A A . 3 LYS HD2 1 1 2 389 1 1 3 LYS HD3 H 14.003 -3.321 0.732 1.00 . A A . 3 LYS HD3 1 1 2 390 1 1 3 LYS HE2 H 14.989 -2.175 2.669 1.00 . A A . 3 LYS HE2 1 1 2 391 1 1 3 LYS HE3 H 13.685 -2.793 3.682 1.00 . A A . 3 LYS HE3 1 1 2 392 1 1 3 LYS HG2 H 13.326 -1.002 1.212 1.00 . A A . 3 LYS HG2 1 1 2 393 1 1 3 LYS HG3 H 12.001 -1.609 2.205 1.00 . A A . 3 LYS HG3 1 1 2 394 1 1 3 LYS HZ1 H 15.697 -4.436 2.244 1.00 . A A . 3 LYS HZ1 1 1 2 395 1 1 3 LYS HZ2 H 14.452 -5.049 3.208 1.00 . A A . 3 LYS HZ2 1 1 2 396 1 1 3 LYS HZ3 H 15.676 -4.125 3.895 1.00 . A A . 3 LYS HZ3 1 1 2 397 1 1 3 LYS N N 11.844 0.426 -0.589 1.00 . A A . 3 LYS N 1 1 2 398 1 1 3 LYS NZ N 15.077 -4.233 3.053 1.00 . A A . 3 LYS NZ 1 1 2 399 1 1 3 LYS O O 8.803 -0.846 0.795 1.00 . A A . 3 LYS O 1 1 2 400 1 1 4 LEU C C 8.227 1.855 2.174 1.00 . A A . 4 LEU C 1 1 2 401 1 1 4 LEU CA C 9.348 0.994 2.735 1.00 . A A . 4 LEU CA 1 1 2 402 1 1 4 LEU CB C 10.076 1.706 3.872 1.00 . A A . 4 LEU CB 1 1 2 403 1 1 4 LEU CD1 C 11.755 1.692 5.729 1.00 . A A . 4 LEU CD1 1 1 2 404 1 1 4 LEU CD2 C 10.750 -0.461 4.979 1.00 . A A . 4 LEU CD2 1 1 2 405 1 1 4 LEU CG C 11.211 0.924 4.546 1.00 . A A . 4 LEU CG 1 1 2 406 1 1 4 LEU H H 11.135 1.049 1.597 1.00 . A A . 4 LEU H 1 1 2 407 1 1 4 LEU HA H 8.902 0.086 3.114 1.00 . A A . 4 LEU HA 1 1 2 408 1 1 4 LEU HB2 H 10.491 2.619 3.472 1.00 . A A . 4 LEU HB2 1 1 2 409 1 1 4 LEU HB3 H 9.348 1.964 4.627 1.00 . A A . 4 LEU HB3 1 1 2 410 1 1 4 LEU HD11 H 12.588 1.155 6.158 1.00 . A A . 4 LEU HD11 1 1 2 411 1 1 4 LEU HD12 H 10.980 1.795 6.474 1.00 . A A . 4 LEU HD12 1 1 2 412 1 1 4 LEU HD13 H 12.079 2.672 5.413 1.00 . A A . 4 LEU HD13 1 1 2 413 1 1 4 LEU HD21 H 10.432 -1.024 4.115 1.00 . A A . 4 LEU HD21 1 1 2 414 1 1 4 LEU HD22 H 9.925 -0.368 5.671 1.00 . A A . 4 LEU HD22 1 1 2 415 1 1 4 LEU HD23 H 11.568 -0.975 5.461 1.00 . A A . 4 LEU HD23 1 1 2 416 1 1 4 LEU HG H 12.016 0.807 3.836 1.00 . A A . 4 LEU HG 1 1 2 417 1 1 4 LEU N N 10.261 0.606 1.675 1.00 . A A . 4 LEU N 1 1 2 418 1 1 4 LEU O O 7.070 1.755 2.605 1.00 . A A . 4 LEU O 1 1 2 419 1 1 5 LEU C C 6.619 2.613 -0.299 1.00 . A A . 5 LEU C 1 1 2 420 1 1 5 LEU CA C 7.567 3.483 0.497 1.00 . A A . 5 LEU CA 1 1 2 421 1 1 5 LEU CB C 8.212 4.540 -0.433 1.00 . A A . 5 LEU CB 1 1 2 422 1 1 5 LEU CD1 C 8.069 6.498 1.165 1.00 . A A . 5 LEU CD1 1 1 2 423 1 1 5 LEU CD2 C 10.244 5.280 0.903 1.00 . A A . 5 LEU CD2 1 1 2 424 1 1 5 LEU CG C 8.965 5.723 0.214 1.00 . A A . 5 LEU CG 1 1 2 425 1 1 5 LEU H H 9.486 2.663 0.861 1.00 . A A . 5 LEU H 1 1 2 426 1 1 5 LEU HA H 6.996 3.985 1.265 1.00 . A A . 5 LEU HA 1 1 2 427 1 1 5 LEU HB2 H 8.915 4.020 -1.066 1.00 . A A . 5 LEU HB2 1 1 2 428 1 1 5 LEU HB3 H 7.432 4.942 -1.061 1.00 . A A . 5 LEU HB3 1 1 2 429 1 1 5 LEU HD11 H 7.729 5.848 1.957 1.00 . A A . 5 LEU HD11 1 1 2 430 1 1 5 LEU HD12 H 7.216 6.882 0.624 1.00 . A A . 5 LEU HD12 1 1 2 431 1 1 5 LEU HD13 H 8.624 7.321 1.590 1.00 . A A . 5 LEU HD13 1 1 2 432 1 1 5 LEU HD21 H 10.913 4.842 0.177 1.00 . A A . 5 LEU HD21 1 1 2 433 1 1 5 LEU HD22 H 10.006 4.547 1.659 1.00 . A A . 5 LEU HD22 1 1 2 434 1 1 5 LEU HD23 H 10.720 6.132 1.365 1.00 . A A . 5 LEU HD23 1 1 2 435 1 1 5 LEU HG H 9.229 6.411 -0.578 1.00 . A A . 5 LEU HG 1 1 2 436 1 1 5 LEU N N 8.553 2.645 1.166 1.00 . A A . 5 LEU N 1 1 2 437 1 1 5 LEU O O 5.450 2.946 -0.473 1.00 . A A . 5 LEU O 1 1 2 438 1 1 6 LYS C C 5.358 -0.213 -0.605 1.00 . A A . 6 LYS C 1 1 2 439 1 1 6 LYS CA C 6.311 0.543 -1.506 1.00 . A A . 6 LYS CA 1 1 2 440 1 1 6 LYS CB C 7.158 -0.385 -2.375 1.00 . A A . 6 LYS CB 1 1 2 441 1 1 6 LYS CD C 6.938 1.128 -4.361 1.00 . A A . 6 LYS CD 1 1 2 442 1 1 6 LYS CE C 7.630 1.883 -5.472 1.00 . A A . 6 LYS CE 1 1 2 443 1 1 6 LYS CG C 7.908 0.350 -3.481 1.00 . A A . 6 LYS CG 1 1 2 444 1 1 6 LYS H H 8.076 1.296 -0.628 1.00 . A A . 6 LYS H 1 1 2 445 1 1 6 LYS HA H 5.679 1.135 -2.150 1.00 . A A . 6 LYS HA 1 1 2 446 1 1 6 LYS HB2 H 7.879 -0.885 -1.745 1.00 . A A . 6 LYS HB2 1 1 2 447 1 1 6 LYS HB3 H 6.515 -1.123 -2.832 1.00 . A A . 6 LYS HB3 1 1 2 448 1 1 6 LYS HD2 H 6.228 0.445 -4.803 1.00 . A A . 6 LYS HD2 1 1 2 449 1 1 6 LYS HD3 H 6.412 1.843 -3.748 1.00 . A A . 6 LYS HD3 1 1 2 450 1 1 6 LYS HE2 H 8.379 2.530 -5.042 1.00 . A A . 6 LYS HE2 1 1 2 451 1 1 6 LYS HE3 H 8.101 1.175 -6.138 1.00 . A A . 6 LYS HE3 1 1 2 452 1 1 6 LYS HG2 H 8.610 1.038 -3.031 1.00 . A A . 6 LYS HG2 1 1 2 453 1 1 6 LYS HG3 H 8.438 -0.371 -4.084 1.00 . A A . 6 LYS HG3 1 1 2 454 1 1 6 LYS HZ1 H 7.116 3.197 -7.029 1.00 . A A . 6 LYS HZ1 1 1 2 455 1 1 6 LYS HZ2 H 6.214 3.408 -5.622 1.00 . A A . 6 LYS HZ2 1 1 2 456 1 1 6 LYS HZ3 H 5.916 2.087 -6.619 1.00 . A A . 6 LYS HZ3 1 1 2 457 1 1 6 LYS N N 7.123 1.484 -0.766 1.00 . A A . 6 LYS N 1 1 2 458 1 1 6 LYS NZ N 6.663 2.700 -6.236 1.00 . A A . 6 LYS NZ 1 1 2 459 1 1 6 LYS O O 4.273 -0.589 -1.037 1.00 . A A . 6 LYS O 1 1 2 460 1 1 7 ARG C C 3.641 -0.076 1.792 1.00 . A A . 7 ARG C 1 1 2 461 1 1 7 ARG CA C 4.815 -1.011 1.622 1.00 . A A . 7 ARG CA 1 1 2 462 1 1 7 ARG CB C 5.447 -1.244 2.993 1.00 . A A . 7 ARG CB 1 1 2 463 1 1 7 ARG CD C 7.072 -2.469 4.426 1.00 . A A . 7 ARG CD 1 1 2 464 1 1 7 ARG CG C 6.668 -2.133 3.002 1.00 . A A . 7 ARG CG 1 1 2 465 1 1 7 ARG CZ C 7.552 -1.285 6.576 1.00 . A A . 7 ARG CZ 1 1 2 466 1 1 7 ARG H H 6.648 -0.150 0.926 1.00 . A A . 7 ARG H 1 1 2 467 1 1 7 ARG HA H 4.469 -1.947 1.212 1.00 . A A . 7 ARG HA 1 1 2 468 1 1 7 ARG HB2 H 5.735 -0.286 3.400 1.00 . A A . 7 ARG HB2 1 1 2 469 1 1 7 ARG HB3 H 4.703 -1.681 3.642 1.00 . A A . 7 ARG HB3 1 1 2 470 1 1 7 ARG HD2 H 6.317 -3.107 4.860 1.00 . A A . 7 ARG HD2 1 1 2 471 1 1 7 ARG HD3 H 8.014 -2.996 4.404 1.00 . A A . 7 ARG HD3 1 1 2 472 1 1 7 ARG HE H 7.040 -0.410 4.823 1.00 . A A . 7 ARG HE 1 1 2 473 1 1 7 ARG HG2 H 6.441 -3.047 2.472 1.00 . A A . 7 ARG HG2 1 1 2 474 1 1 7 ARG HG3 H 7.484 -1.621 2.513 1.00 . A A . 7 ARG HG3 1 1 2 475 1 1 7 ARG HH11 H 7.754 -3.323 6.715 1.00 . A A . 7 ARG HH11 1 1 2 476 1 1 7 ARG HH12 H 8.028 -2.465 8.166 1.00 . A A . 7 ARG HH12 1 1 2 477 1 1 7 ARG HH21 H 7.467 0.746 6.835 1.00 . A A . 7 ARG HH21 1 1 2 478 1 1 7 ARG HH22 H 7.906 -0.144 8.224 1.00 . A A . 7 ARG HH22 1 1 2 479 1 1 7 ARG N N 5.739 -0.406 0.661 1.00 . A A . 7 ARG N 1 1 2 480 1 1 7 ARG NE N 7.220 -1.269 5.271 1.00 . A A . 7 ARG NE 1 1 2 481 1 1 7 ARG NH1 N 7.799 -2.439 7.190 1.00 . A A . 7 ARG NH1 1 1 2 482 1 1 7 ARG NH2 N 7.642 -0.150 7.255 1.00 . A A . 7 ARG NH2 1 1 2 483 1 1 7 ARG O O 2.488 -0.486 1.728 1.00 . A A . 7 ARG O 1 1 2 484 1 1 8 LEU C C 2.121 2.366 0.829 1.00 . A A . 8 LEU C 1 1 2 485 1 1 8 LEU CA C 2.981 2.262 2.095 1.00 . A A . 8 LEU CA 1 1 2 486 1 1 8 LEU CB C 3.706 3.588 2.366 1.00 . A A . 8 LEU CB 1 1 2 487 1 1 8 LEU CD1 C 2.010 4.659 3.886 1.00 . A A . 8 LEU CD1 1 1 2 488 1 1 8 LEU CD2 C 3.696 6.068 2.689 1.00 . A A . 8 LEU CD2 1 1 2 489 1 1 8 LEU CG C 2.834 4.821 2.616 1.00 . A A . 8 LEU CG 1 1 2 490 1 1 8 LEU H H 4.918 1.438 1.934 1.00 . A A . 8 LEU H 1 1 2 491 1 1 8 LEU HA H 2.353 2.020 2.939 1.00 . A A . 8 LEU HA 1 1 2 492 1 1 8 LEU HB2 H 4.339 3.450 3.230 1.00 . A A . 8 LEU HB2 1 1 2 493 1 1 8 LEU HB3 H 4.342 3.795 1.517 1.00 . A A . 8 LEU HB3 1 1 2 494 1 1 8 LEU HD11 H 1.355 3.807 3.786 1.00 . A A . 8 LEU HD11 1 1 2 495 1 1 8 LEU HD12 H 1.421 5.549 4.050 1.00 . A A . 8 LEU HD12 1 1 2 496 1 1 8 LEU HD13 H 2.671 4.508 4.727 1.00 . A A . 8 LEU HD13 1 1 2 497 1 1 8 LEU HD21 H 3.066 6.927 2.868 1.00 . A A . 8 LEU HD21 1 1 2 498 1 1 8 LEU HD22 H 4.223 6.198 1.755 1.00 . A A . 8 LEU HD22 1 1 2 499 1 1 8 LEU HD23 H 4.408 5.970 3.494 1.00 . A A . 8 LEU HD23 1 1 2 500 1 1 8 LEU HG H 2.146 4.933 1.792 1.00 . A A . 8 LEU HG 1 1 2 501 1 1 8 LEU N N 3.967 1.203 1.935 1.00 . A A . 8 LEU N 1 1 2 502 1 1 8 LEU O O 0.924 2.651 0.894 1.00 . A A . 8 LEU O 1 1 2 503 1 1 9 GLY C C 1.025 1.033 -1.660 1.00 . A A . 9 GLY C 1 1 2 504 1 1 9 GLY CA C 2.072 2.104 -1.587 1.00 . A A . 9 GLY CA 1 1 2 505 1 1 9 GLY H H 3.709 1.900 -0.274 1.00 . A A . 9 GLY H 1 1 2 506 1 1 9 GLY HA2 H 1.604 3.065 -1.729 1.00 . A A . 9 GLY HA2 1 1 2 507 1 1 9 GLY HA3 H 2.795 1.940 -2.372 1.00 . A A . 9 GLY HA3 1 1 2 508 1 1 9 GLY N N 2.749 2.094 -0.311 1.00 . A A . 9 GLY N 1 1 2 509 1 1 9 GLY O O -0.066 1.255 -2.169 1.00 . A A . 9 GLY O 1 1 2 510 1 1 10 LYS C C -0.713 -0.875 -0.110 1.00 . A A . 10 LYS C 1 1 2 511 1 1 10 LYS CA C 0.405 -1.221 -1.075 1.00 . A A . 10 LYS CA 1 1 2 512 1 1 10 LYS CB C 1.099 -2.504 -0.623 1.00 . A A . 10 LYS CB 1 1 2 513 1 1 10 LYS CD C 1.494 -3.526 -2.918 1.00 . A A . 10 LYS CD 1 1 2 514 1 1 10 LYS CE C 0.472 -4.647 -2.698 1.00 . A A . 10 LYS CE 1 1 2 515 1 1 10 LYS CG C 2.128 -3.055 -1.605 1.00 . A A . 10 LYS CG 1 1 2 516 1 1 10 LYS H H 2.264 -0.250 -0.802 1.00 . A A . 10 LYS H 1 1 2 517 1 1 10 LYS HA H -0.012 -1.372 -2.059 1.00 . A A . 10 LYS HA 1 1 2 518 1 1 10 LYS HB2 H 1.604 -2.302 0.311 1.00 . A A . 10 LYS HB2 1 1 2 519 1 1 10 LYS HB3 H 0.350 -3.263 -0.450 1.00 . A A . 10 LYS HB3 1 1 2 520 1 1 10 LYS HD2 H 0.998 -2.691 -3.390 1.00 . A A . 10 LYS HD2 1 1 2 521 1 1 10 LYS HD3 H 2.274 -3.886 -3.572 1.00 . A A . 10 LYS HD3 1 1 2 522 1 1 10 LYS HE2 H -0.359 -4.266 -2.125 1.00 . A A . 10 LYS HE2 1 1 2 523 1 1 10 LYS HE3 H 0.114 -4.969 -3.665 1.00 . A A . 10 LYS HE3 1 1 2 524 1 1 10 LYS HG2 H 2.842 -2.275 -1.827 1.00 . A A . 10 LYS HG2 1 1 2 525 1 1 10 LYS HG3 H 2.641 -3.884 -1.143 1.00 . A A . 10 LYS HG3 1 1 2 526 1 1 10 LYS HZ1 H 1.864 -6.206 -2.504 1.00 . A A . 10 LYS HZ1 1 1 2 527 1 1 10 LYS HZ2 H 0.330 -6.560 -1.915 1.00 . A A . 10 LYS HZ2 1 1 2 528 1 1 10 LYS HZ3 H 1.345 -5.571 -1.025 1.00 . A A . 10 LYS HZ3 1 1 2 529 1 1 10 LYS N N 1.350 -0.128 -1.143 1.00 . A A . 10 LYS N 1 1 2 530 1 1 10 LYS NZ N 1.049 -5.813 -1.993 1.00 . A A . 10 LYS NZ 1 1 2 531 1 1 10 LYS O O -1.886 -1.126 -0.384 1.00 . A A . 10 LYS O 1 1 2 532 1 1 11 LYS C C -2.315 1.096 1.533 1.00 . A A . 11 LYS C 1 1 2 533 1 1 11 LYS CA C -1.299 0.095 2.028 1.00 . A A . 11 LYS CA 1 1 2 534 1 1 11 LYS CB C -0.619 0.580 3.313 1.00 . A A . 11 LYS CB 1 1 2 535 1 1 11 LYS CD C -0.510 -1.742 4.258 1.00 . A A . 11 LYS CD 1 1 2 536 1 1 11 LYS CE C 0.365 -2.803 4.884 1.00 . A A . 11 LYS CE 1 1 2 537 1 1 11 LYS CG C 0.265 -0.470 3.975 1.00 . A A . 11 LYS CG 1 1 2 538 1 1 11 LYS H H 0.609 -0.070 1.137 1.00 . A A . 11 LYS H 1 1 2 539 1 1 11 LYS HA H -1.855 -0.801 2.257 1.00 . A A . 11 LYS HA 1 1 2 540 1 1 11 LYS HB2 H -0.007 1.439 3.079 1.00 . A A . 11 LYS HB2 1 1 2 541 1 1 11 LYS HB3 H -1.380 0.877 4.020 1.00 . A A . 11 LYS HB3 1 1 2 542 1 1 11 LYS HD2 H -1.327 -1.522 4.928 1.00 . A A . 11 LYS HD2 1 1 2 543 1 1 11 LYS HD3 H -0.900 -2.125 3.328 1.00 . A A . 11 LYS HD3 1 1 2 544 1 1 11 LYS HE2 H 1.207 -2.989 4.234 1.00 . A A . 11 LYS HE2 1 1 2 545 1 1 11 LYS HE3 H 0.722 -2.449 5.840 1.00 . A A . 11 LYS HE3 1 1 2 546 1 1 11 LYS HG2 H 1.090 -0.701 3.319 1.00 . A A . 11 LYS HG2 1 1 2 547 1 1 11 LYS HG3 H 0.643 -0.075 4.907 1.00 . A A . 11 LYS HG3 1 1 2 548 1 1 11 LYS HZ1 H -1.207 -3.922 5.685 1.00 . A A . 11 LYS HZ1 1 1 2 549 1 1 11 LYS HZ2 H 0.237 -4.781 5.519 1.00 . A A . 11 LYS HZ2 1 1 2 550 1 1 11 LYS HZ3 H -0.693 -4.445 4.166 1.00 . A A . 11 LYS HZ3 1 1 2 551 1 1 11 LYS N N -0.344 -0.268 1.001 1.00 . A A . 11 LYS N 1 1 2 552 1 1 11 LYS NZ N -0.374 -4.065 5.081 1.00 . A A . 11 LYS NZ 1 1 2 553 1 1 11 LYS O O -3.507 0.872 1.700 1.00 . A A . 11 LYS O 1 1 2 554 1 1 12 ILE C C -3.750 2.560 -0.648 1.00 . A A . 12 ILE C 1 1 2 555 1 1 12 ILE CA C -2.787 3.175 0.378 1.00 . A A . 12 ILE CA 1 1 2 556 1 1 12 ILE CB C -2.066 4.446 -0.200 1.00 . A A . 12 ILE CB 1 1 2 557 1 1 12 ILE CD1 C -2.476 6.827 -1.091 1.00 . A A . 12 ILE CD1 1 1 2 558 1 1 12 ILE CG1 C -3.091 5.538 -0.575 1.00 . A A . 12 ILE CG1 1 1 2 559 1 1 12 ILE CG2 C -1.178 4.105 -1.392 1.00 . A A . 12 ILE CG2 1 1 2 560 1 1 12 ILE H H -0.892 2.287 0.772 1.00 . A A . 12 ILE H 1 1 2 561 1 1 12 ILE HA H -3.389 3.472 1.226 1.00 . A A . 12 ILE HA 1 1 2 562 1 1 12 ILE HB H -1.423 4.827 0.576 1.00 . A A . 12 ILE HB 1 1 2 563 1 1 12 ILE HD11 H -1.896 6.619 -1.978 1.00 . A A . 12 ILE HD11 1 1 2 564 1 1 12 ILE HD12 H -1.836 7.251 -0.333 1.00 . A A . 12 ILE HD12 1 1 2 565 1 1 12 ILE HD13 H -3.262 7.528 -1.333 1.00 . A A . 12 ILE HD13 1 1 2 566 1 1 12 ILE HG12 H -3.743 5.156 -1.347 1.00 . A A . 12 ILE HG12 1 1 2 567 1 1 12 ILE HG13 H -3.683 5.774 0.297 1.00 . A A . 12 ILE HG13 1 1 2 568 1 1 12 ILE HG21 H -0.701 5.001 -1.758 1.00 . A A . 12 ILE HG21 1 1 2 569 1 1 12 ILE HG22 H -1.783 3.672 -2.175 1.00 . A A . 12 ILE HG22 1 1 2 570 1 1 12 ILE HG23 H -0.426 3.392 -1.085 1.00 . A A . 12 ILE HG23 1 1 2 571 1 1 12 ILE N N -1.863 2.167 0.887 1.00 . A A . 12 ILE N 1 1 2 572 1 1 12 ILE O O -4.930 2.863 -0.647 1.00 . A A . 12 ILE O 1 1 2 573 1 1 13 ARG C C -5.191 0.154 -1.793 1.00 . A A . 13 ARG C 1 1 2 574 1 1 13 ARG CA C -4.059 0.940 -2.457 1.00 . A A . 13 ARG CA 1 1 2 575 1 1 13 ARG CB C -3.209 0.008 -3.336 1.00 . A A . 13 ARG CB 1 1 2 576 1 1 13 ARG CD C -1.398 -0.241 -5.084 1.00 . A A . 13 ARG CD 1 1 2 577 1 1 13 ARG CG C -2.252 0.732 -4.271 1.00 . A A . 13 ARG CG 1 1 2 578 1 1 13 ARG CZ C -1.743 -1.983 -6.859 1.00 . A A . 13 ARG CZ 1 1 2 579 1 1 13 ARG H H -2.282 1.446 -1.366 1.00 . A A . 13 ARG H 1 1 2 580 1 1 13 ARG HA H -4.504 1.699 -3.082 1.00 . A A . 13 ARG HA 1 1 2 581 1 1 13 ARG HB2 H -2.630 -0.639 -2.695 1.00 . A A . 13 ARG HB2 1 1 2 582 1 1 13 ARG HB3 H -3.874 -0.599 -3.934 1.00 . A A . 13 ARG HB3 1 1 2 583 1 1 13 ARG HD2 H -0.762 0.330 -5.745 1.00 . A A . 13 ARG HD2 1 1 2 584 1 1 13 ARG HD3 H -0.783 -0.815 -4.405 1.00 . A A . 13 ARG HD3 1 1 2 585 1 1 13 ARG HE H -3.167 -1.187 -5.670 1.00 . A A . 13 ARG HE 1 1 2 586 1 1 13 ARG HG2 H -2.823 1.350 -4.945 1.00 . A A . 13 ARG HG2 1 1 2 587 1 1 13 ARG HG3 H -1.603 1.358 -3.676 1.00 . A A . 13 ARG HG3 1 1 2 588 1 1 13 ARG HH11 H 0.204 -1.320 -6.789 1.00 . A A . 13 ARG HH11 1 1 2 589 1 1 13 ARG HH12 H -0.089 -2.546 -7.931 1.00 . A A . 13 ARG HH12 1 1 2 590 1 1 13 ARG HH21 H -3.547 -2.879 -7.223 1.00 . A A . 13 ARG HH21 1 1 2 591 1 1 13 ARG HH22 H -2.274 -3.452 -8.193 1.00 . A A . 13 ARG HH22 1 1 2 592 1 1 13 ARG N N -3.240 1.638 -1.461 1.00 . A A . 13 ARG N 1 1 2 593 1 1 13 ARG NE N -2.210 -1.168 -5.894 1.00 . A A . 13 ARG NE 1 1 2 594 1 1 13 ARG NH1 N -0.456 -1.946 -7.215 1.00 . A A . 13 ARG NH1 1 1 2 595 1 1 13 ARG NH2 N -2.573 -2.829 -7.469 1.00 . A A . 13 ARG NH2 1 1 2 596 1 1 13 ARG O O -6.378 0.371 -2.102 1.00 . A A . 13 ARG O 1 1 2 597 1 1 14 LEU C C -6.743 -0.711 0.725 1.00 . A A . 14 LEU C 1 1 2 598 1 1 14 LEU CA C -5.821 -1.541 -0.161 1.00 . A A . 14 LEU CA 1 1 2 599 1 1 14 LEU CB C -5.164 -2.678 0.664 1.00 . A A . 14 LEU CB 1 1 2 600 1 1 14 LEU CD1 C -5.850 -4.617 -0.807 1.00 . A A . 14 LEU CD1 1 1 2 601 1 1 14 LEU CD2 C -3.556 -3.673 -1.056 1.00 . A A . 14 LEU CD2 1 1 2 602 1 1 14 LEU CG C -4.695 -3.951 -0.088 1.00 . A A . 14 LEU CG 1 1 2 603 1 1 14 LEU H H -3.884 -0.794 -0.622 1.00 . A A . 14 LEU H 1 1 2 604 1 1 14 LEU HA H -6.436 -1.989 -0.927 1.00 . A A . 14 LEU HA 1 1 2 605 1 1 14 LEU HB2 H -4.303 -2.261 1.165 1.00 . A A . 14 LEU HB2 1 1 2 606 1 1 14 LEU HB3 H -5.872 -2.980 1.422 1.00 . A A . 14 LEU HB3 1 1 2 607 1 1 14 LEU HD11 H -5.504 -5.523 -1.283 1.00 . A A . 14 LEU HD11 1 1 2 608 1 1 14 LEU HD12 H -6.242 -3.950 -1.561 1.00 . A A . 14 LEU HD12 1 1 2 609 1 1 14 LEU HD13 H -6.630 -4.858 -0.099 1.00 . A A . 14 LEU HD13 1 1 2 610 1 1 14 LEU HD21 H -3.881 -2.955 -1.794 1.00 . A A . 14 LEU HD21 1 1 2 611 1 1 14 LEU HD22 H -3.267 -4.591 -1.545 1.00 . A A . 14 LEU HD22 1 1 2 612 1 1 14 LEU HD23 H -2.712 -3.273 -0.512 1.00 . A A . 14 LEU HD23 1 1 2 613 1 1 14 LEU HG H -4.348 -4.659 0.652 1.00 . A A . 14 LEU HG 1 1 2 614 1 1 14 LEU N N -4.836 -0.713 -0.856 1.00 . A A . 14 LEU N 1 1 2 615 1 1 14 LEU O O -7.936 -1.015 0.855 1.00 . A A . 14 LEU O 1 1 2 616 1 1 15 ALA C C -7.940 2.092 1.447 1.00 . A A . 15 ALA C 1 1 2 617 1 1 15 ALA CA C -6.978 1.177 2.201 1.00 . A A . 15 ALA CA 1 1 2 618 1 1 15 ALA CB C -6.067 1.969 3.109 1.00 . A A . 15 ALA CB 1 1 2 619 1 1 15 ALA H H -5.260 0.540 1.160 1.00 . A A . 15 ALA H 1 1 2 620 1 1 15 ALA HA H -7.569 0.516 2.818 1.00 . A A . 15 ALA HA 1 1 2 621 1 1 15 ALA HB1 H -5.463 2.639 2.514 1.00 . A A . 15 ALA HB1 1 1 2 622 1 1 15 ALA HB2 H -5.427 1.294 3.656 1.00 . A A . 15 ALA HB2 1 1 2 623 1 1 15 ALA HB3 H -6.666 2.544 3.799 1.00 . A A . 15 ALA HB3 1 1 2 624 1 1 15 ALA N N -6.211 0.336 1.310 1.00 . A A . 15 ALA N 1 1 2 625 1 1 15 ALA O O -9.056 2.336 1.919 1.00 . A A . 15 ALA O 1 1 2 626 1 1 16 ALA C C -9.592 2.660 -1.036 1.00 . A A . 16 ALA C 1 1 2 627 1 1 16 ALA CA C -8.402 3.449 -0.525 1.00 . A A . 16 ALA CA 1 1 2 628 1 1 16 ALA CB C -7.635 4.057 -1.691 1.00 . A A . 16 ALA CB 1 1 2 629 1 1 16 ALA H H -6.621 2.412 -0.039 1.00 . A A . 16 ALA H 1 1 2 630 1 1 16 ALA HA H -8.756 4.243 0.112 1.00 . A A . 16 ALA HA 1 1 2 631 1 1 16 ALA HB1 H -6.796 4.623 -1.314 1.00 . A A . 16 ALA HB1 1 1 2 632 1 1 16 ALA HB2 H -8.289 4.708 -2.252 1.00 . A A . 16 ALA HB2 1 1 2 633 1 1 16 ALA HB3 H -7.276 3.267 -2.333 1.00 . A A . 16 ALA HB3 1 1 2 634 1 1 16 ALA N N -7.534 2.587 0.286 1.00 . A A . 16 ALA N 1 1 2 635 1 1 16 ALA O O -10.707 3.183 -1.169 1.00 . A A . 16 ALA O 1 1 2 636 1 1 17 ALA C C -11.272 0.024 -0.614 1.00 . A A . 17 ALA C 1 1 2 637 1 1 17 ALA CA C -10.375 0.481 -1.761 1.00 . A A . 17 ALA CA 1 1 2 638 1 1 17 ALA CB C -9.739 -0.714 -2.442 1.00 . A A . 17 ALA CB 1 1 2 639 1 1 17 ALA H H -8.434 1.062 -1.183 1.00 . A A . 17 ALA H 1 1 2 640 1 1 17 ALA HA H -10.977 1.004 -2.489 1.00 . A A . 17 ALA HA 1 1 2 641 1 1 17 ALA HB1 H -9.106 -0.372 -3.247 1.00 . A A . 17 ALA HB1 1 1 2 642 1 1 17 ALA HB2 H -10.513 -1.355 -2.839 1.00 . A A . 17 ALA HB2 1 1 2 643 1 1 17 ALA HB3 H -9.146 -1.264 -1.726 1.00 . A A . 17 ALA HB3 1 1 2 644 1 1 17 ALA N N -9.352 1.391 -1.293 1.00 . A A . 17 ALA N 1 1 2 645 1 1 17 ALA O O -12.417 -0.380 -0.829 1.00 . A A . 17 ALA O 1 1 2 646 1 1 18 PHE C C -12.592 0.587 2.151 1.00 . A A . 18 PHE C 1 1 2 647 1 1 18 PHE CA C -11.468 -0.379 1.768 1.00 . A A . 18 PHE CA 1 1 2 648 1 1 18 PHE CB C -10.503 -0.587 2.942 1.00 . A A . 18 PHE CB 1 1 2 649 1 1 18 PHE CD1 C -11.212 -2.670 4.130 1.00 . A A . 18 PHE CD1 1 1 2 650 1 1 18 PHE CD2 C -11.605 -0.582 5.200 1.00 . A A . 18 PHE CD2 1 1 2 651 1 1 18 PHE CE1 C -11.774 -3.326 5.197 1.00 . A A . 18 PHE CE1 1 1 2 652 1 1 18 PHE CE2 C -12.169 -1.236 6.268 1.00 . A A . 18 PHE CE2 1 1 2 653 1 1 18 PHE CG C -11.119 -1.291 4.116 1.00 . A A . 18 PHE CG 1 1 2 654 1 1 18 PHE CZ C -12.253 -2.608 6.268 1.00 . A A . 18 PHE CZ 1 1 2 655 1 1 18 PHE H H -9.855 0.472 0.699 1.00 . A A . 18 PHE H 1 1 2 656 1 1 18 PHE HA H -11.914 -1.329 1.515 1.00 . A A . 18 PHE HA 1 1 2 657 1 1 18 PHE HB2 H -9.662 -1.174 2.606 1.00 . A A . 18 PHE HB2 1 1 2 658 1 1 18 PHE HB3 H -10.146 0.375 3.276 1.00 . A A . 18 PHE HB3 1 1 2 659 1 1 18 PHE HD1 H -10.836 -3.237 3.292 1.00 . A A . 18 PHE HD1 1 1 2 660 1 1 18 PHE HD2 H -11.541 0.496 5.204 1.00 . A A . 18 PHE HD2 1 1 2 661 1 1 18 PHE HE1 H -11.842 -4.404 5.196 1.00 . A A . 18 PHE HE1 1 1 2 662 1 1 18 PHE HE2 H -12.547 -0.677 7.112 1.00 . A A . 18 PHE HE2 1 1 2 663 1 1 18 PHE HZ H -12.695 -3.122 7.108 1.00 . A A . 18 PHE HZ 1 1 2 664 1 1 18 PHE N N -10.751 0.089 0.596 1.00 . A A . 18 PHE N 1 1 2 665 1 1 18 PHE O O -13.735 0.166 2.373 1.00 . A A . 18 PHE O 1 1 2 666 1 1 19 LYS C C -13.363 3.879 1.450 1.00 . A A . 19 LYS C 1 1 2 667 1 1 19 LYS CA C -13.268 2.838 2.549 1.00 . A A . 19 LYS CA 1 1 2 668 1 1 19 LYS CB C -13.097 3.470 3.963 1.00 . A A . 19 LYS CB 1 1 2 669 1 1 19 LYS CD C -10.652 3.107 4.589 1.00 . A A . 19 LYS CD 1 1 2 670 1 1 19 LYS CE C -9.324 3.787 4.876 1.00 . A A . 19 LYS CE 1 1 2 671 1 1 19 LYS CG C -11.748 4.122 4.316 1.00 . A A . 19 LYS CG 1 1 2 672 1 1 19 LYS H H -11.381 2.203 2.066 1.00 . A A . 19 LYS H 1 1 2 673 1 1 19 LYS HA H -14.203 2.300 2.526 1.00 . A A . 19 LYS HA 1 1 2 674 1 1 19 LYS HB2 H -13.821 4.263 3.988 1.00 . A A . 19 LYS HB2 1 1 2 675 1 1 19 LYS HB3 H -13.347 2.736 4.714 1.00 . A A . 19 LYS HB3 1 1 2 676 1 1 19 LYS HD2 H -10.930 2.515 5.447 1.00 . A A . 19 LYS HD2 1 1 2 677 1 1 19 LYS HD3 H -10.542 2.469 3.725 1.00 . A A . 19 LYS HD3 1 1 2 678 1 1 19 LYS HE2 H -9.449 4.449 5.719 1.00 . A A . 19 LYS HE2 1 1 2 679 1 1 19 LYS HE3 H -8.590 3.031 5.115 1.00 . A A . 19 LYS HE3 1 1 2 680 1 1 19 LYS HG2 H -11.441 4.747 3.491 1.00 . A A . 19 LYS HG2 1 1 2 681 1 1 19 LYS HG3 H -11.884 4.740 5.192 1.00 . A A . 19 LYS HG3 1 1 2 682 1 1 19 LYS HZ1 H -8.746 3.991 2.876 1.00 . A A . 19 LYS HZ1 1 1 2 683 1 1 19 LYS HZ2 H -7.918 5.013 3.909 1.00 . A A . 19 LYS HZ2 1 1 2 684 1 1 19 LYS HZ3 H -9.502 5.348 3.489 1.00 . A A . 19 LYS HZ3 1 1 2 685 1 1 19 LYS N N -12.282 1.865 2.234 1.00 . A A . 19 LYS N 1 1 2 686 1 1 19 LYS NZ N -8.846 4.579 3.728 1.00 . A A . 19 LYS NZ 1 1 2 687 1 1 19 LYS O O -12.653 4.901 1.496 1.00 . A A . 19 LYS O 1 1 2 688 1 1 19 LYS OXT O -14.121 3.647 0.492 1.00 . A A . 19 LYS OXT 1 1 3 689 1 1 1 PRO C C 13.824 1.301 0.156 1.00 . A A . 1 PRO C 1 1 3 690 1 1 1 PRO CA C 15.171 0.796 0.596 1.00 . A A . 1 PRO CA 1 1 3 691 1 1 1 PRO CB C 15.027 -0.588 1.220 1.00 . A A . 1 PRO CB 1 1 3 692 1 1 1 PRO CD C 16.001 0.899 2.839 1.00 . A A . 1 PRO CD 1 1 3 693 1 1 1 PRO CG C 15.116 -0.321 2.689 1.00 . A A . 1 PRO CG 1 1 3 694 1 1 1 PRO H2 H 15.723 2.635 1.140 1.00 . A A . 1 PRO H2 1 1 3 695 1 1 1 PRO H3 H 16.719 1.544 1.784 1.00 . A A . 1 PRO H3 1 1 3 696 1 1 1 PRO HA H 15.835 0.738 -0.252 1.00 . A A . 1 PRO HA 1 1 3 697 1 1 1 PRO HB2 H 14.074 -1.016 0.944 1.00 . A A . 1 PRO HB2 1 1 3 698 1 1 1 PRO HB3 H 15.831 -1.228 0.887 1.00 . A A . 1 PRO HB3 1 1 3 699 1 1 1 PRO HD2 H 15.763 1.408 3.765 1.00 . A A . 1 PRO HD2 1 1 3 700 1 1 1 PRO HD3 H 17.026 0.558 2.896 1.00 . A A . 1 PRO HD3 1 1 3 701 1 1 1 PRO HG2 H 14.132 -0.120 3.087 1.00 . A A . 1 PRO HG2 1 1 3 702 1 1 1 PRO HG3 H 15.559 -1.168 3.193 1.00 . A A . 1 PRO HG3 1 1 3 703 1 1 1 PRO N N 15.714 1.695 1.584 1.00 . A A . 1 PRO N 1 1 3 704 1 1 1 PRO O O 13.032 1.760 0.980 1.00 . A A . 1 PRO O 1 1 3 705 1 1 2 MET C C 11.131 0.735 -1.296 1.00 . A A . 2 MET C 1 1 3 706 1 1 2 MET CA C 12.293 1.670 -1.675 1.00 . A A . 2 MET CA 1 1 3 707 1 1 2 MET CB C 12.379 1.827 -3.203 1.00 . A A . 2 MET CB 1 1 3 708 1 1 2 MET CE C 9.644 3.490 -5.880 1.00 . A A . 2 MET CE 1 1 3 709 1 1 2 MET CG C 11.165 2.524 -3.801 1.00 . A A . 2 MET CG 1 1 3 710 1 1 2 MET H H 14.189 0.755 -1.723 1.00 . A A . 2 MET H 1 1 3 711 1 1 2 MET HA H 12.101 2.639 -1.236 1.00 . A A . 2 MET HA 1 1 3 712 1 1 2 MET HB2 H 13.260 2.402 -3.447 1.00 . A A . 2 MET HB2 1 1 3 713 1 1 2 MET HB3 H 12.463 0.848 -3.652 1.00 . A A . 2 MET HB3 1 1 3 714 1 1 2 MET HE1 H 8.824 2.935 -5.449 1.00 . A A . 2 MET HE1 1 1 3 715 1 1 2 MET HE2 H 9.482 3.605 -6.942 1.00 . A A . 2 MET HE2 1 1 3 716 1 1 2 MET HE3 H 9.703 4.465 -5.417 1.00 . A A . 2 MET HE3 1 1 3 717 1 1 2 MET HG2 H 10.277 1.996 -3.489 1.00 . A A . 2 MET HG2 1 1 3 718 1 1 2 MET HG3 H 11.127 3.531 -3.414 1.00 . A A . 2 MET HG3 1 1 3 719 1 1 2 MET N N 13.541 1.191 -1.123 1.00 . A A . 2 MET N 1 1 3 720 1 1 2 MET O O 9.971 1.135 -1.354 1.00 . A A . 2 MET O 1 1 3 721 1 1 2 MET SD S 11.177 2.596 -5.598 1.00 . A A . 2 MET SD 1 1 3 722 1 1 3 LYS C C 9.461 -0.922 0.538 1.00 . A A . 3 LYS C 1 1 3 723 1 1 3 LYS CA C 10.464 -1.508 -0.446 1.00 . A A . 3 LYS CA 1 1 3 724 1 1 3 LYS CB C 11.146 -2.723 0.202 1.00 . A A . 3 LYS CB 1 1 3 725 1 1 3 LYS CD C 10.966 -4.385 -1.718 1.00 . A A . 3 LYS CD 1 1 3 726 1 1 3 LYS CE C 10.025 -5.322 -0.978 1.00 . A A . 3 LYS CE 1 1 3 727 1 1 3 LYS CG C 11.895 -3.643 -0.758 1.00 . A A . 3 LYS CG 1 1 3 728 1 1 3 LYS H H 12.405 -0.775 -0.939 1.00 . A A . 3 LYS H 1 1 3 729 1 1 3 LYS HA H 9.925 -1.846 -1.319 1.00 . A A . 3 LYS HA 1 1 3 730 1 1 3 LYS HB2 H 11.859 -2.359 0.928 1.00 . A A . 3 LYS HB2 1 1 3 731 1 1 3 LYS HB3 H 10.399 -3.302 0.724 1.00 . A A . 3 LYS HB3 1 1 3 732 1 1 3 LYS HD2 H 10.378 -3.668 -2.273 1.00 . A A . 3 LYS HD2 1 1 3 733 1 1 3 LYS HD3 H 11.570 -4.965 -2.400 1.00 . A A . 3 LYS HD3 1 1 3 734 1 1 3 LYS HE2 H 10.626 -5.975 -0.365 1.00 . A A . 3 LYS HE2 1 1 3 735 1 1 3 LYS HE3 H 9.385 -4.734 -0.339 1.00 . A A . 3 LYS HE3 1 1 3 736 1 1 3 LYS HG2 H 12.578 -3.053 -1.346 1.00 . A A . 3 LYS HG2 1 1 3 737 1 1 3 LYS HG3 H 12.451 -4.367 -0.180 1.00 . A A . 3 LYS HG3 1 1 3 738 1 1 3 LYS HZ1 H 9.786 -6.725 -2.502 1.00 . A A . 3 LYS HZ1 1 1 3 739 1 1 3 LYS HZ2 H 8.606 -5.523 -2.515 1.00 . A A . 3 LYS HZ2 1 1 3 740 1 1 3 LYS HZ3 H 8.552 -6.750 -1.363 1.00 . A A . 3 LYS HZ3 1 1 3 741 1 1 3 LYS N N 11.460 -0.508 -0.896 1.00 . A A . 3 LYS N 1 1 3 742 1 1 3 LYS NZ N 9.188 -6.125 -1.898 1.00 . A A . 3 LYS NZ 1 1 3 743 1 1 3 LYS O O 8.249 -1.066 0.350 1.00 . A A . 3 LYS O 1 1 3 744 1 1 4 LEU C C 8.249 1.505 2.037 1.00 . A A . 4 LEU C 1 1 3 745 1 1 4 LEU CA C 9.090 0.349 2.569 1.00 . A A . 4 LEU CA 1 1 3 746 1 1 4 LEU CB C 9.865 0.680 3.878 1.00 . A A . 4 LEU CB 1 1 3 747 1 1 4 LEU CD1 C 10.720 3.063 3.612 1.00 . A A . 4 LEU CD1 1 1 3 748 1 1 4 LEU CD2 C 11.964 1.429 5.037 1.00 . A A . 4 LEU CD2 1 1 3 749 1 1 4 LEU CG C 11.103 1.602 3.800 1.00 . A A . 4 LEU CG 1 1 3 750 1 1 4 LEU H H 10.927 -0.097 1.619 1.00 . A A . 4 LEU H 1 1 3 751 1 1 4 LEU HA H 8.381 -0.435 2.791 1.00 . A A . 4 LEU HA 1 1 3 752 1 1 4 LEU HB2 H 9.165 1.144 4.556 1.00 . A A . 4 LEU HB2 1 1 3 753 1 1 4 LEU HB3 H 10.174 -0.257 4.318 1.00 . A A . 4 LEU HB3 1 1 3 754 1 1 4 LEU HD11 H 10.138 3.164 2.708 1.00 . A A . 4 LEU HD11 1 1 3 755 1 1 4 LEU HD12 H 11.613 3.665 3.533 1.00 . A A . 4 LEU HD12 1 1 3 756 1 1 4 LEU HD13 H 10.136 3.396 4.456 1.00 . A A . 4 LEU HD13 1 1 3 757 1 1 4 LEU HD21 H 12.290 0.403 5.109 1.00 . A A . 4 LEU HD21 1 1 3 758 1 1 4 LEU HD22 H 11.387 1.684 5.914 1.00 . A A . 4 LEU HD22 1 1 3 759 1 1 4 LEU HD23 H 12.827 2.075 4.972 1.00 . A A . 4 LEU HD23 1 1 3 760 1 1 4 LEU HG H 11.693 1.312 2.943 1.00 . A A . 4 LEU HG 1 1 3 761 1 1 4 LEU N N 9.958 -0.222 1.553 1.00 . A A . 4 LEU N 1 1 3 762 1 1 4 LEU O O 7.115 1.690 2.455 1.00 . A A . 4 LEU O 1 1 3 763 1 1 5 LEU C C 6.920 2.796 -0.388 1.00 . A A . 5 LEU C 1 1 3 764 1 1 5 LEU CA C 8.066 3.336 0.447 1.00 . A A . 5 LEU CA 1 1 3 765 1 1 5 LEU CB C 9.005 4.182 -0.421 1.00 . A A . 5 LEU CB 1 1 3 766 1 1 5 LEU CD1 C 11.052 5.595 -0.692 1.00 . A A . 5 LEU CD1 1 1 3 767 1 1 5 LEU CD2 C 9.632 5.862 1.343 1.00 . A A . 5 LEU CD2 1 1 3 768 1 1 5 LEU CG C 10.161 4.878 0.304 1.00 . A A . 5 LEU CG 1 1 3 769 1 1 5 LEU H H 9.676 1.992 0.737 1.00 . A A . 5 LEU H 1 1 3 770 1 1 5 LEU HA H 7.658 3.948 1.238 1.00 . A A . 5 LEU HA 1 1 3 771 1 1 5 LEU HB2 H 9.424 3.538 -1.181 1.00 . A A . 5 LEU HB2 1 1 3 772 1 1 5 LEU HB3 H 8.412 4.938 -0.914 1.00 . A A . 5 LEU HB3 1 1 3 773 1 1 5 LEU HD11 H 11.861 6.080 -0.165 1.00 . A A . 5 LEU HD11 1 1 3 774 1 1 5 LEU HD12 H 10.473 6.333 -1.225 1.00 . A A . 5 LEU HD12 1 1 3 775 1 1 5 LEU HD13 H 11.458 4.882 -1.395 1.00 . A A . 5 LEU HD13 1 1 3 776 1 1 5 LEU HD21 H 9.002 6.593 0.857 1.00 . A A . 5 LEU HD21 1 1 3 777 1 1 5 LEU HD22 H 10.464 6.364 1.813 1.00 . A A . 5 LEU HD22 1 1 3 778 1 1 5 LEU HD23 H 9.061 5.333 2.092 1.00 . A A . 5 LEU HD23 1 1 3 779 1 1 5 LEU HG H 10.758 4.135 0.813 1.00 . A A . 5 LEU HG 1 1 3 780 1 1 5 LEU N N 8.783 2.225 1.062 1.00 . A A . 5 LEU N 1 1 3 781 1 1 5 LEU O O 5.805 3.339 -0.370 1.00 . A A . 5 LEU O 1 1 3 782 1 1 6 LYS C C 5.142 0.418 -0.968 1.00 . A A . 6 LYS C 1 1 3 783 1 1 6 LYS CA C 6.180 1.026 -1.886 1.00 . A A . 6 LYS CA 1 1 3 784 1 1 6 LYS CB C 6.780 -0.071 -2.772 1.00 . A A . 6 LYS CB 1 1 3 785 1 1 6 LYS CD C 8.199 -0.732 -4.720 1.00 . A A . 6 LYS CD 1 1 3 786 1 1 6 LYS CE C 9.164 -0.261 -5.795 1.00 . A A . 6 LYS CE 1 1 3 787 1 1 6 LYS CG C 7.755 0.415 -3.825 1.00 . A A . 6 LYS CG 1 1 3 788 1 1 6 LYS H H 8.115 1.357 -1.087 1.00 . A A . 6 LYS H 1 1 3 789 1 1 6 LYS HA H 5.700 1.765 -2.511 1.00 . A A . 6 LYS HA 1 1 3 790 1 1 6 LYS HB2 H 7.301 -0.776 -2.141 1.00 . A A . 6 LYS HB2 1 1 3 791 1 1 6 LYS HB3 H 5.973 -0.584 -3.272 1.00 . A A . 6 LYS HB3 1 1 3 792 1 1 6 LYS HD2 H 8.691 -1.480 -4.116 1.00 . A A . 6 LYS HD2 1 1 3 793 1 1 6 LYS HD3 H 7.328 -1.163 -5.193 1.00 . A A . 6 LYS HD3 1 1 3 794 1 1 6 LYS HE2 H 8.695 0.531 -6.360 1.00 . A A . 6 LYS HE2 1 1 3 795 1 1 6 LYS HE3 H 10.054 0.122 -5.317 1.00 . A A . 6 LYS HE3 1 1 3 796 1 1 6 LYS HG2 H 7.279 1.173 -4.427 1.00 . A A . 6 LYS HG2 1 1 3 797 1 1 6 LYS HG3 H 8.618 0.828 -3.326 1.00 . A A . 6 LYS HG3 1 1 3 798 1 1 6 LYS HZ1 H 10.212 -0.985 -7.435 1.00 . A A . 6 LYS HZ1 1 1 3 799 1 1 6 LYS HZ2 H 8.699 -1.714 -7.209 1.00 . A A . 6 LYS HZ2 1 1 3 800 1 1 6 LYS HZ3 H 9.998 -2.125 -6.215 1.00 . A A . 6 LYS HZ3 1 1 3 801 1 1 6 LYS N N 7.194 1.702 -1.097 1.00 . A A . 6 LYS N 1 1 3 802 1 1 6 LYS NZ N 9.541 -1.343 -6.724 1.00 . A A . 6 LYS NZ 1 1 3 803 1 1 6 LYS O O 3.962 0.439 -1.266 1.00 . A A . 6 LYS O 1 1 3 804 1 1 7 ARG C C 3.752 0.320 1.731 1.00 . A A . 7 ARG C 1 1 3 805 1 1 7 ARG CA C 4.734 -0.701 1.157 1.00 . A A . 7 ARG CA 1 1 3 806 1 1 7 ARG CB C 5.545 -1.363 2.261 1.00 . A A . 7 ARG CB 1 1 3 807 1 1 7 ARG CD C 5.521 -2.720 4.354 1.00 . A A . 7 ARG CD 1 1 3 808 1 1 7 ARG CG C 4.695 -1.946 3.372 1.00 . A A . 7 ARG CG 1 1 3 809 1 1 7 ARG CZ C 6.823 -1.321 5.925 1.00 . A A . 7 ARG CZ 1 1 3 810 1 1 7 ARG H H 6.573 -0.075 0.329 1.00 . A A . 7 ARG H 1 1 3 811 1 1 7 ARG HA H 4.170 -1.471 0.656 1.00 . A A . 7 ARG HA 1 1 3 812 1 1 7 ARG HB2 H 6.140 -2.156 1.832 1.00 . A A . 7 ARG HB2 1 1 3 813 1 1 7 ARG HB3 H 6.204 -0.625 2.694 1.00 . A A . 7 ARG HB3 1 1 3 814 1 1 7 ARG HD2 H 4.917 -2.941 5.222 1.00 . A A . 7 ARG HD2 1 1 3 815 1 1 7 ARG HD3 H 5.840 -3.643 3.892 1.00 . A A . 7 ARG HD3 1 1 3 816 1 1 7 ARG HE H 7.421 -2.059 4.109 1.00 . A A . 7 ARG HE 1 1 3 817 1 1 7 ARG HG2 H 4.199 -1.140 3.888 1.00 . A A . 7 ARG HG2 1 1 3 818 1 1 7 ARG HG3 H 3.958 -2.604 2.939 1.00 . A A . 7 ARG HG3 1 1 3 819 1 1 7 ARG HH11 H 4.829 -1.342 6.406 1.00 . A A . 7 ARG HH11 1 1 3 820 1 1 7 ARG HH12 H 5.832 -0.583 7.554 1.00 . A A . 7 ARG HH12 1 1 3 821 1 1 7 ARG HH21 H 8.827 -1.016 5.734 1.00 . A A . 7 ARG HH21 1 1 3 822 1 1 7 ARG HH22 H 8.148 -0.383 7.162 1.00 . A A . 7 ARG HH22 1 1 3 823 1 1 7 ARG N N 5.604 -0.098 0.166 1.00 . A A . 7 ARG N 1 1 3 824 1 1 7 ARG NE N 6.692 -1.969 4.766 1.00 . A A . 7 ARG NE 1 1 3 825 1 1 7 ARG NH1 N 5.757 -1.067 6.678 1.00 . A A . 7 ARG NH1 1 1 3 826 1 1 7 ARG NH2 N 8.010 -0.876 6.298 1.00 . A A . 7 ARG NH2 1 1 3 827 1 1 7 ARG O O 2.577 0.003 1.967 1.00 . A A . 7 ARG O 1 1 3 828 1 1 8 LEU C C 2.285 2.913 1.415 1.00 . A A . 8 LEU C 1 1 3 829 1 1 8 LEU CA C 3.387 2.627 2.419 1.00 . A A . 8 LEU CA 1 1 3 830 1 1 8 LEU CB C 4.215 3.894 2.664 1.00 . A A . 8 LEU CB 1 1 3 831 1 1 8 LEU CD1 C 6.085 5.088 3.809 1.00 . A A . 8 LEU CD1 1 1 3 832 1 1 8 LEU CD2 C 4.642 3.531 5.112 1.00 . A A . 8 LEU CD2 1 1 3 833 1 1 8 LEU CG C 5.280 3.807 3.758 1.00 . A A . 8 LEU CG 1 1 3 834 1 1 8 LEU H H 5.186 1.704 1.790 1.00 . A A . 8 LEU H 1 1 3 835 1 1 8 LEU HA H 2.933 2.316 3.349 1.00 . A A . 8 LEU HA 1 1 3 836 1 1 8 LEU HB2 H 4.706 4.150 1.737 1.00 . A A . 8 LEU HB2 1 1 3 837 1 1 8 LEU HB3 H 3.535 4.693 2.917 1.00 . A A . 8 LEU HB3 1 1 3 838 1 1 8 LEU HD11 H 6.576 5.245 2.861 1.00 . A A . 8 LEU HD11 1 1 3 839 1 1 8 LEU HD12 H 6.825 5.016 4.594 1.00 . A A . 8 LEU HD12 1 1 3 840 1 1 8 LEU HD13 H 5.422 5.916 4.011 1.00 . A A . 8 LEU HD13 1 1 3 841 1 1 8 LEU HD21 H 4.134 2.578 5.087 1.00 . A A . 8 LEU HD21 1 1 3 842 1 1 8 LEU HD22 H 3.928 4.308 5.337 1.00 . A A . 8 LEU HD22 1 1 3 843 1 1 8 LEU HD23 H 5.407 3.511 5.874 1.00 . A A . 8 LEU HD23 1 1 3 844 1 1 8 LEU HG H 5.956 2.997 3.527 1.00 . A A . 8 LEU HG 1 1 3 845 1 1 8 LEU N N 4.229 1.538 1.941 1.00 . A A . 8 LEU N 1 1 3 846 1 1 8 LEU O O 1.104 2.891 1.763 1.00 . A A . 8 LEU O 1 1 3 847 1 1 9 GLY C C 0.758 2.254 -1.099 1.00 . A A . 9 GLY C 1 1 3 848 1 1 9 GLY CA C 1.723 3.400 -0.898 1.00 . A A . 9 GLY CA 1 1 3 849 1 1 9 GLY H H 3.637 3.079 -0.049 1.00 . A A . 9 GLY H 1 1 3 850 1 1 9 GLY HA2 H 1.168 4.290 -0.643 1.00 . A A . 9 GLY HA2 1 1 3 851 1 1 9 GLY HA3 H 2.262 3.568 -1.817 1.00 . A A . 9 GLY HA3 1 1 3 852 1 1 9 GLY N N 2.679 3.118 0.160 1.00 . A A . 9 GLY N 1 1 3 853 1 1 9 GLY O O -0.429 2.461 -1.336 1.00 . A A . 9 GLY O 1 1 3 854 1 1 10 LYS C C -0.606 -0.209 -0.023 1.00 . A A . 10 LYS C 1 1 3 855 1 1 10 LYS CA C 0.487 -0.166 -1.098 1.00 . A A . 10 LYS CA 1 1 3 856 1 1 10 LYS CB C 1.401 -1.384 -0.951 1.00 . A A . 10 LYS CB 1 1 3 857 1 1 10 LYS CD C 0.512 -2.735 -2.851 1.00 . A A . 10 LYS CD 1 1 3 858 1 1 10 LYS CE C 0.026 -4.093 -3.311 1.00 . A A . 10 LYS CE 1 1 3 859 1 1 10 LYS CG C 0.782 -2.704 -1.362 1.00 . A A . 10 LYS CG 1 1 3 860 1 1 10 LYS H H 2.234 0.974 -0.786 1.00 . A A . 10 LYS H 1 1 3 861 1 1 10 LYS HA H 0.037 -0.176 -2.078 1.00 . A A . 10 LYS HA 1 1 3 862 1 1 10 LYS HB2 H 2.283 -1.227 -1.556 1.00 . A A . 10 LYS HB2 1 1 3 863 1 1 10 LYS HB3 H 1.702 -1.456 0.083 1.00 . A A . 10 LYS HB3 1 1 3 864 1 1 10 LYS HD2 H -0.246 -2.004 -3.087 1.00 . A A . 10 LYS HD2 1 1 3 865 1 1 10 LYS HD3 H 1.423 -2.490 -3.377 1.00 . A A . 10 LYS HD3 1 1 3 866 1 1 10 LYS HE2 H -0.037 -4.071 -4.388 1.00 . A A . 10 LYS HE2 1 1 3 867 1 1 10 LYS HE3 H 0.757 -4.832 -3.017 1.00 . A A . 10 LYS HE3 1 1 3 868 1 1 10 LYS HG2 H 1.455 -3.510 -1.108 1.00 . A A . 10 LYS HG2 1 1 3 869 1 1 10 LYS HG3 H -0.153 -2.828 -0.835 1.00 . A A . 10 LYS HG3 1 1 3 870 1 1 10 LYS HZ1 H -1.594 -5.378 -3.148 1.00 . A A . 10 LYS HZ1 1 1 3 871 1 1 10 LYS HZ2 H -2.017 -3.760 -3.005 1.00 . A A . 10 LYS HZ2 1 1 3 872 1 1 10 LYS HZ3 H -1.268 -4.557 -1.714 1.00 . A A . 10 LYS HZ3 1 1 3 873 1 1 10 LYS N N 1.269 1.048 -0.962 1.00 . A A . 10 LYS N 1 1 3 874 1 1 10 LYS NZ N -1.294 -4.464 -2.750 1.00 . A A . 10 LYS NZ 1 1 3 875 1 1 10 LYS O O -1.738 -0.588 -0.295 1.00 . A A . 10 LYS O 1 1 3 876 1 1 11 LYS C C -2.290 1.263 2.033 1.00 . A A . 11 LYS C 1 1 3 877 1 1 11 LYS CA C -1.195 0.237 2.301 1.00 . A A . 11 LYS CA 1 1 3 878 1 1 11 LYS CB C -0.473 0.596 3.605 1.00 . A A . 11 LYS CB 1 1 3 879 1 1 11 LYS CD C -0.660 1.052 6.092 1.00 . A A . 11 LYS CD 1 1 3 880 1 1 11 LYS CE C -0.383 2.547 5.981 1.00 . A A . 11 LYS CE 1 1 3 881 1 1 11 LYS CG C -1.361 0.519 4.845 1.00 . A A . 11 LYS CG 1 1 3 882 1 1 11 LYS H H 0.664 0.526 1.324 1.00 . A A . 11 LYS H 1 1 3 883 1 1 11 LYS HA H -1.636 -0.744 2.395 1.00 . A A . 11 LYS HA 1 1 3 884 1 1 11 LYS HB2 H 0.364 -0.073 3.740 1.00 . A A . 11 LYS HB2 1 1 3 885 1 1 11 LYS HB3 H -0.101 1.604 3.513 1.00 . A A . 11 LYS HB3 1 1 3 886 1 1 11 LYS HD2 H -1.294 0.878 6.948 1.00 . A A . 11 LYS HD2 1 1 3 887 1 1 11 LYS HD3 H 0.274 0.528 6.223 1.00 . A A . 11 LYS HD3 1 1 3 888 1 1 11 LYS HE2 H 0.291 2.714 5.154 1.00 . A A . 11 LYS HE2 1 1 3 889 1 1 11 LYS HE3 H -1.313 3.062 5.792 1.00 . A A . 11 LYS HE3 1 1 3 890 1 1 11 LYS HG2 H -2.252 1.102 4.669 1.00 . A A . 11 LYS HG2 1 1 3 891 1 1 11 LYS HG3 H -1.637 -0.512 5.009 1.00 . A A . 11 LYS HG3 1 1 3 892 1 1 11 LYS HZ1 H 1.168 2.662 7.364 1.00 . A A . 11 LYS HZ1 1 1 3 893 1 1 11 LYS HZ2 H -0.342 2.907 8.040 1.00 . A A . 11 LYS HZ2 1 1 3 894 1 1 11 LYS HZ3 H 0.375 4.123 7.100 1.00 . A A . 11 LYS HZ3 1 1 3 895 1 1 11 LYS N N -0.258 0.215 1.184 1.00 . A A . 11 LYS N 1 1 3 896 1 1 11 LYS NZ N 0.240 3.096 7.201 1.00 . A A . 11 LYS NZ 1 1 3 897 1 1 11 LYS O O -3.465 1.018 2.296 1.00 . A A . 11 LYS O 1 1 3 898 1 1 12 ILE C C -3.796 2.998 0.052 1.00 . A A . 12 ILE C 1 1 3 899 1 1 12 ILE CA C -2.829 3.476 1.152 1.00 . A A . 12 ILE CA 1 1 3 900 1 1 12 ILE CB C -2.070 4.764 0.683 1.00 . A A . 12 ILE CB 1 1 3 901 1 1 12 ILE CD1 C -1.573 5.512 3.107 1.00 . A A . 12 ILE CD1 1 1 3 902 1 1 12 ILE CG1 C -1.020 5.203 1.725 1.00 . A A . 12 ILE CG1 1 1 3 903 1 1 12 ILE CG2 C -3.035 5.915 0.401 1.00 . A A . 12 ILE CG2 1 1 3 904 1 1 12 ILE H H -0.937 2.519 1.289 1.00 . A A . 12 ILE H 1 1 3 905 1 1 12 ILE HA H -3.401 3.701 2.040 1.00 . A A . 12 ILE HA 1 1 3 906 1 1 12 ILE HB H -1.558 4.526 -0.238 1.00 . A A . 12 ILE HB 1 1 3 907 1 1 12 ILE HD11 H -2.043 4.629 3.516 1.00 . A A . 12 ILE HD11 1 1 3 908 1 1 12 ILE HD12 H -2.302 6.304 3.028 1.00 . A A . 12 ILE HD12 1 1 3 909 1 1 12 ILE HD13 H -0.768 5.827 3.755 1.00 . A A . 12 ILE HD13 1 1 3 910 1 1 12 ILE HG12 H -0.289 4.417 1.840 1.00 . A A . 12 ILE HG12 1 1 3 911 1 1 12 ILE HG13 H -0.525 6.090 1.360 1.00 . A A . 12 ILE HG13 1 1 3 912 1 1 12 ILE HG21 H -2.480 6.774 0.056 1.00 . A A . 12 ILE HG21 1 1 3 913 1 1 12 ILE HG22 H -3.559 6.172 1.308 1.00 . A A . 12 ILE HG22 1 1 3 914 1 1 12 ILE HG23 H -3.744 5.613 -0.354 1.00 . A A . 12 ILE HG23 1 1 3 915 1 1 12 ILE N N -1.896 2.399 1.479 1.00 . A A . 12 ILE N 1 1 3 916 1 1 12 ILE O O -4.995 3.336 0.041 1.00 . A A . 12 ILE O 1 1 3 917 1 1 13 ARG C C -4.995 0.510 -1.378 1.00 . A A . 13 ARG C 1 1 3 918 1 1 13 ARG CA C -4.097 1.618 -1.916 1.00 . A A . 13 ARG CA 1 1 3 919 1 1 13 ARG CB C -3.249 1.092 -3.067 1.00 . A A . 13 ARG CB 1 1 3 920 1 1 13 ARG CD C -1.734 1.559 -4.985 1.00 . A A . 13 ARG CD 1 1 3 921 1 1 13 ARG CG C -2.434 2.149 -3.782 1.00 . A A . 13 ARG CG 1 1 3 922 1 1 13 ARG CZ C -2.399 0.229 -6.982 1.00 . A A . 13 ARG CZ 1 1 3 923 1 1 13 ARG H H -2.318 1.998 -0.819 1.00 . A A . 13 ARG H 1 1 3 924 1 1 13 ARG HA H -4.733 2.409 -2.282 1.00 . A A . 13 ARG HA 1 1 3 925 1 1 13 ARG HB2 H -2.568 0.347 -2.681 1.00 . A A . 13 ARG HB2 1 1 3 926 1 1 13 ARG HB3 H -3.899 0.622 -3.789 1.00 . A A . 13 ARG HB3 1 1 3 927 1 1 13 ARG HD2 H -1.131 2.324 -5.452 1.00 . A A . 13 ARG HD2 1 1 3 928 1 1 13 ARG HD3 H -1.098 0.750 -4.659 1.00 . A A . 13 ARG HD3 1 1 3 929 1 1 13 ARG HE H -3.627 1.337 -5.844 1.00 . A A . 13 ARG HE 1 1 3 930 1 1 13 ARG HG2 H -3.086 2.946 -4.110 1.00 . A A . 13 ARG HG2 1 1 3 931 1 1 13 ARG HG3 H -1.692 2.543 -3.102 1.00 . A A . 13 ARG HG3 1 1 3 932 1 1 13 ARG HH11 H -0.420 0.030 -6.517 1.00 . A A . 13 ARG HH11 1 1 3 933 1 1 13 ARG HH12 H -0.919 -0.828 -7.895 1.00 . A A . 13 ARG HH12 1 1 3 934 1 1 13 ARG HH21 H -4.300 0.151 -7.693 1.00 . A A . 13 ARG HH21 1 1 3 935 1 1 13 ARG HH22 H -3.179 -0.762 -8.599 1.00 . A A . 13 ARG HH22 1 1 3 936 1 1 13 ARG N N -3.281 2.189 -0.857 1.00 . A A . 13 ARG N 1 1 3 937 1 1 13 ARG NE N -2.696 1.038 -5.966 1.00 . A A . 13 ARG NE 1 1 3 938 1 1 13 ARG NH1 N -1.165 -0.214 -7.141 1.00 . A A . 13 ARG NH1 1 1 3 939 1 1 13 ARG NH2 N -3.350 -0.156 -7.816 1.00 . A A . 13 ARG NH2 1 1 3 940 1 1 13 ARG O O -6.091 0.292 -1.881 1.00 . A A . 13 ARG O 1 1 3 941 1 1 14 LEU C C -6.472 -0.603 1.049 1.00 . A A . 14 LEU C 1 1 3 942 1 1 14 LEU CA C -5.316 -1.237 0.272 1.00 . A A . 14 LEU CA 1 1 3 943 1 1 14 LEU CB C -4.433 -2.097 1.194 1.00 . A A . 14 LEU CB 1 1 3 944 1 1 14 LEU CD1 C -5.772 -4.233 0.993 1.00 . A A . 14 LEU CD1 1 1 3 945 1 1 14 LEU CD2 C -4.144 -3.946 2.869 1.00 . A A . 14 LEU CD2 1 1 3 946 1 1 14 LEU CG C -5.130 -3.240 1.953 1.00 . A A . 14 LEU CG 1 1 3 947 1 1 14 LEU H H -3.610 -0.025 -0.059 1.00 . A A . 14 LEU H 1 1 3 948 1 1 14 LEU HA H -5.728 -1.856 -0.511 1.00 . A A . 14 LEU HA 1 1 3 949 1 1 14 LEU HB2 H -3.649 -2.532 0.592 1.00 . A A . 14 LEU HB2 1 1 3 950 1 1 14 LEU HB3 H -3.974 -1.442 1.919 1.00 . A A . 14 LEU HB3 1 1 3 951 1 1 14 LEU HD11 H -6.243 -5.024 1.558 1.00 . A A . 14 LEU HD11 1 1 3 952 1 1 14 LEU HD12 H -5.016 -4.654 0.347 1.00 . A A . 14 LEU HD12 1 1 3 953 1 1 14 LEU HD13 H -6.518 -3.728 0.396 1.00 . A A . 14 LEU HD13 1 1 3 954 1 1 14 LEU HD21 H -3.742 -3.241 3.580 1.00 . A A . 14 LEU HD21 1 1 3 955 1 1 14 LEU HD22 H -3.343 -4.366 2.280 1.00 . A A . 14 LEU HD22 1 1 3 956 1 1 14 LEU HD23 H -4.654 -4.739 3.397 1.00 . A A . 14 LEU HD23 1 1 3 957 1 1 14 LEU HG H -5.915 -2.821 2.564 1.00 . A A . 14 LEU HG 1 1 3 958 1 1 14 LEU N N -4.528 -0.194 -0.367 1.00 . A A . 14 LEU N 1 1 3 959 1 1 14 LEU O O -7.568 -1.170 1.142 1.00 . A A . 14 LEU O 1 1 3 960 1 1 15 ALA C C -8.317 1.780 1.306 1.00 . A A . 15 ALA C 1 1 3 961 1 1 15 ALA CA C -7.242 1.330 2.288 1.00 . A A . 15 ALA CA 1 1 3 962 1 1 15 ALA CB C -6.626 2.524 3.003 1.00 . A A . 15 ALA CB 1 1 3 963 1 1 15 ALA H H -5.305 0.922 1.545 1.00 . A A . 15 ALA H 1 1 3 964 1 1 15 ALA HA H -7.699 0.681 3.020 1.00 . A A . 15 ALA HA 1 1 3 965 1 1 15 ALA HB1 H -7.392 3.048 3.557 1.00 . A A . 15 ALA HB1 1 1 3 966 1 1 15 ALA HB2 H -6.188 3.190 2.274 1.00 . A A . 15 ALA HB2 1 1 3 967 1 1 15 ALA HB3 H -5.860 2.182 3.684 1.00 . A A . 15 ALA HB3 1 1 3 968 1 1 15 ALA N N -6.222 0.572 1.593 1.00 . A A . 15 ALA N 1 1 3 969 1 1 15 ALA O O -9.501 1.540 1.517 1.00 . A A . 15 ALA O 1 1 3 970 1 1 16 ALA C C -9.568 1.733 -1.501 1.00 . A A . 16 ALA C 1 1 3 971 1 1 16 ALA CA C -8.801 2.864 -0.828 1.00 . A A . 16 ALA CA 1 1 3 972 1 1 16 ALA CB C -8.051 3.669 -1.861 1.00 . A A . 16 ALA CB 1 1 3 973 1 1 16 ALA H H -6.918 2.482 0.072 1.00 . A A . 16 ALA H 1 1 3 974 1 1 16 ALA HA H -9.510 3.515 -0.341 1.00 . A A . 16 ALA HA 1 1 3 975 1 1 16 ALA HB1 H -8.745 4.081 -2.578 1.00 . A A . 16 ALA HB1 1 1 3 976 1 1 16 ALA HB2 H -7.343 3.030 -2.365 1.00 . A A . 16 ALA HB2 1 1 3 977 1 1 16 ALA HB3 H -7.525 4.469 -1.364 1.00 . A A . 16 ALA HB3 1 1 3 978 1 1 16 ALA N N -7.885 2.366 0.197 1.00 . A A . 16 ALA N 1 1 3 979 1 1 16 ALA O O -10.701 1.912 -1.919 1.00 . A A . 16 ALA O 1 1 3 980 1 1 17 ALA C C -10.738 -1.097 -1.327 1.00 . A A . 17 ALA C 1 1 3 981 1 1 17 ALA CA C -9.584 -0.606 -2.184 1.00 . A A . 17 ALA CA 1 1 3 982 1 1 17 ALA CB C -8.573 -1.719 -2.366 1.00 . A A . 17 ALA CB 1 1 3 983 1 1 17 ALA H H -8.022 0.504 -1.276 1.00 . A A . 17 ALA H 1 1 3 984 1 1 17 ALA HA H -9.962 -0.327 -3.157 1.00 . A A . 17 ALA HA 1 1 3 985 1 1 17 ALA HB1 H -8.202 -2.031 -1.400 1.00 . A A . 17 ALA HB1 1 1 3 986 1 1 17 ALA HB2 H -7.749 -1.354 -2.960 1.00 . A A . 17 ALA HB2 1 1 3 987 1 1 17 ALA HB3 H -9.035 -2.556 -2.864 1.00 . A A . 17 ALA HB3 1 1 3 988 1 1 17 ALA N N -8.951 0.570 -1.590 1.00 . A A . 17 ALA N 1 1 3 989 1 1 17 ALA O O -11.681 -1.721 -1.826 1.00 . A A . 17 ALA O 1 1 3 990 1 1 18 PHE C C -12.857 -0.227 0.868 1.00 . A A . 18 PHE C 1 1 3 991 1 1 18 PHE CA C -11.676 -1.219 0.904 1.00 . A A . 18 PHE CA 1 1 3 992 1 1 18 PHE CB C -11.050 -1.337 2.300 1.00 . A A . 18 PHE CB 1 1 3 993 1 1 18 PHE CD1 C -12.136 -3.434 3.142 1.00 . A A . 18 PHE CD1 1 1 3 994 1 1 18 PHE CD2 C -12.382 -1.446 4.421 1.00 . A A . 18 PHE CD2 1 1 3 995 1 1 18 PHE CE1 C -12.877 -4.133 4.072 1.00 . A A . 18 PHE CE1 1 1 3 996 1 1 18 PHE CE2 C -13.127 -2.139 5.354 1.00 . A A . 18 PHE CE2 1 1 3 997 1 1 18 PHE CG C -11.882 -2.081 3.305 1.00 . A A . 18 PHE CG 1 1 3 998 1 1 18 PHE CZ C -13.375 -3.484 5.180 1.00 . A A . 18 PHE CZ 1 1 3 999 1 1 18 PHE H H -9.892 -0.292 0.278 1.00 . A A . 18 PHE H 1 1 3 1000 1 1 18 PHE HA H -12.037 -2.188 0.590 1.00 . A A . 18 PHE HA 1 1 3 1001 1 1 18 PHE HB2 H -10.106 -1.854 2.213 1.00 . A A . 18 PHE HB2 1 1 3 1002 1 1 18 PHE HB3 H -10.870 -0.343 2.681 1.00 . A A . 18 PHE HB3 1 1 3 1003 1 1 18 PHE HD1 H -11.749 -3.942 2.271 1.00 . A A . 18 PHE HD1 1 1 3 1004 1 1 18 PHE HD2 H -12.190 -0.392 4.558 1.00 . A A . 18 PHE HD2 1 1 3 1005 1 1 18 PHE HE1 H -13.068 -5.187 3.931 1.00 . A A . 18 PHE HE1 1 1 3 1006 1 1 18 PHE HE2 H -13.518 -1.632 6.225 1.00 . A A . 18 PHE HE2 1 1 3 1007 1 1 18 PHE HZ H -13.958 -4.024 5.912 1.00 . A A . 18 PHE HZ 1 1 3 1008 1 1 18 PHE N N -10.662 -0.808 -0.045 1.00 . A A . 18 PHE N 1 1 3 1009 1 1 18 PHE O O -13.962 -0.515 1.347 1.00 . A A . 18 PHE O 1 1 3 1010 1 1 19 LYS C C -14.252 1.789 -1.241 1.00 . A A . 19 LYS C 1 1 3 1011 1 1 19 LYS CA C -13.616 1.958 0.120 1.00 . A A . 19 LYS CA 1 1 3 1012 1 1 19 LYS CB C -13.038 3.388 0.260 1.00 . A A . 19 LYS CB 1 1 3 1013 1 1 19 LYS CD C -12.021 3.095 2.577 1.00 . A A . 19 LYS CD 1 1 3 1014 1 1 19 LYS CE C -11.980 3.657 3.987 1.00 . A A . 19 LYS CE 1 1 3 1015 1 1 19 LYS CG C -12.922 3.925 1.685 1.00 . A A . 19 LYS CG 1 1 3 1016 1 1 19 LYS H H -11.697 1.121 -0.025 1.00 . A A . 19 LYS H 1 1 3 1017 1 1 19 LYS HA H -14.377 1.809 0.871 1.00 . A A . 19 LYS HA 1 1 3 1018 1 1 19 LYS HB2 H -12.049 3.397 -0.176 1.00 . A A . 19 LYS HB2 1 1 3 1019 1 1 19 LYS HB3 H -13.660 4.064 -0.309 1.00 . A A . 19 LYS HB3 1 1 3 1020 1 1 19 LYS HD2 H -12.392 2.081 2.608 1.00 . A A . 19 LYS HD2 1 1 3 1021 1 1 19 LYS HD3 H -11.021 3.097 2.166 1.00 . A A . 19 LYS HD3 1 1 3 1022 1 1 19 LYS HE2 H -11.370 3.011 4.601 1.00 . A A . 19 LYS HE2 1 1 3 1023 1 1 19 LYS HE3 H -11.535 4.639 3.953 1.00 . A A . 19 LYS HE3 1 1 3 1024 1 1 19 LYS HG2 H -12.533 4.931 1.652 1.00 . A A . 19 LYS HG2 1 1 3 1025 1 1 19 LYS HG3 H -13.913 3.939 2.113 1.00 . A A . 19 LYS HG3 1 1 3 1026 1 1 19 LYS HZ1 H -13.793 2.824 4.571 1.00 . A A . 19 LYS HZ1 1 1 3 1027 1 1 19 LYS HZ2 H -13.938 4.441 4.093 1.00 . A A . 19 LYS HZ2 1 1 3 1028 1 1 19 LYS HZ3 H -13.264 4.055 5.581 1.00 . A A . 19 LYS HZ3 1 1 3 1029 1 1 19 LYS N N -12.602 0.941 0.308 1.00 . A A . 19 LYS N 1 1 3 1030 1 1 19 LYS NZ N -13.331 3.755 4.587 1.00 . A A . 19 LYS NZ 1 1 3 1031 1 1 19 LYS O O -13.834 2.457 -2.198 1.00 . A A . 19 LYS O 1 1 3 1032 1 1 19 LYS OXT O -15.176 0.957 -1.382 1.00 . A A . 19 LYS OXT 1 1 4 1033 1 1 1 PRO C C 12.561 3.229 0.275 1.00 . A A . 1 PRO C 1 1 4 1034 1 1 1 PRO CA C 13.770 3.521 1.151 1.00 . A A . 1 PRO CA 1 1 4 1035 1 1 1 PRO CB C 13.549 2.985 2.556 1.00 . A A . 1 PRO CB 1 1 4 1036 1 1 1 PRO CD C 13.990 5.351 2.677 1.00 . A A . 1 PRO CD 1 1 4 1037 1 1 1 PRO CG C 13.249 4.213 3.357 1.00 . A A . 1 PRO CG 1 1 4 1038 1 1 1 PRO H2 H 14.080 5.272 0.237 1.00 . A A . 1 PRO H2 1 1 4 1039 1 1 1 PRO H3 H 14.913 5.211 1.610 1.00 . A A . 1 PRO H3 1 1 4 1040 1 1 1 PRO HA H 14.644 3.053 0.726 1.00 . A A . 1 PRO HA 1 1 4 1041 1 1 1 PRO HB2 H 12.721 2.289 2.553 1.00 . A A . 1 PRO HB2 1 1 4 1042 1 1 1 PRO HB3 H 14.445 2.495 2.906 1.00 . A A . 1 PRO HB3 1 1 4 1043 1 1 1 PRO HD2 H 13.489 6.289 2.883 1.00 . A A . 1 PRO HD2 1 1 4 1044 1 1 1 PRO HD3 H 14.981 5.396 3.107 1.00 . A A . 1 PRO HD3 1 1 4 1045 1 1 1 PRO HG2 H 12.185 4.400 3.351 1.00 . A A . 1 PRO HG2 1 1 4 1046 1 1 1 PRO HG3 H 13.597 4.091 4.372 1.00 . A A . 1 PRO HG3 1 1 4 1047 1 1 1 PRO N N 13.994 4.942 1.221 1.00 . A A . 1 PRO N 1 1 4 1048 1 1 1 PRO O O 11.416 3.352 0.714 1.00 . A A . 1 PRO O 1 1 4 1049 1 1 2 MET C C 10.946 1.373 -1.533 1.00 . A A . 2 MET C 1 1 4 1050 1 1 2 MET CA C 11.791 2.580 -1.939 1.00 . A A . 2 MET CA 1 1 4 1051 1 1 2 MET CB C 12.409 2.368 -3.325 1.00 . A A . 2 MET CB 1 1 4 1052 1 1 2 MET CE C 9.346 3.349 -5.989 1.00 . A A . 2 MET CE 1 1 4 1053 1 1 2 MET CG C 11.389 2.273 -4.451 1.00 . A A . 2 MET CG 1 1 4 1054 1 1 2 MET H H 13.762 2.736 -1.223 1.00 . A A . 2 MET H 1 1 4 1055 1 1 2 MET HA H 11.149 3.448 -1.974 1.00 . A A . 2 MET HA 1 1 4 1056 1 1 2 MET HB2 H 13.071 3.195 -3.537 1.00 . A A . 2 MET HB2 1 1 4 1057 1 1 2 MET HB3 H 12.987 1.457 -3.311 1.00 . A A . 2 MET HB3 1 1 4 1058 1 1 2 MET HE1 H 8.687 4.177 -6.209 1.00 . A A . 2 MET HE1 1 1 4 1059 1 1 2 MET HE2 H 8.759 2.482 -5.723 1.00 . A A . 2 MET HE2 1 1 4 1060 1 1 2 MET HE3 H 9.947 3.127 -6.857 1.00 . A A . 2 MET HE3 1 1 4 1061 1 1 2 MET HG2 H 11.907 2.087 -5.380 1.00 . A A . 2 MET HG2 1 1 4 1062 1 1 2 MET HG3 H 10.718 1.452 -4.245 1.00 . A A . 2 MET HG3 1 1 4 1063 1 1 2 MET N N 12.823 2.845 -0.955 1.00 . A A . 2 MET N 1 1 4 1064 1 1 2 MET O O 9.751 1.342 -1.786 1.00 . A A . 2 MET O 1 1 4 1065 1 1 2 MET SD S 10.415 3.789 -4.619 1.00 . A A . 2 MET SD 1 1 4 1066 1 1 3 LYS C C 9.737 -0.380 0.554 1.00 . A A . 3 LYS C 1 1 4 1067 1 1 3 LYS CA C 10.867 -0.791 -0.378 1.00 . A A . 3 LYS CA 1 1 4 1068 1 1 3 LYS CB C 11.818 -1.708 0.394 1.00 . A A . 3 LYS CB 1 1 4 1069 1 1 3 LYS CD C 13.919 -3.103 0.445 1.00 . A A . 3 LYS CD 1 1 4 1070 1 1 3 LYS CE C 14.498 -2.308 1.613 1.00 . A A . 3 LYS CE 1 1 4 1071 1 1 3 LYS CG C 12.986 -2.250 -0.414 1.00 . A A . 3 LYS CG 1 1 4 1072 1 1 3 LYS H H 12.540 0.490 -0.726 1.00 . A A . 3 LYS H 1 1 4 1073 1 1 3 LYS HA H 10.465 -1.324 -1.227 1.00 . A A . 3 LYS HA 1 1 4 1074 1 1 3 LYS HB2 H 12.215 -1.137 1.220 1.00 . A A . 3 LYS HB2 1 1 4 1075 1 1 3 LYS HB3 H 11.254 -2.540 0.787 1.00 . A A . 3 LYS HB3 1 1 4 1076 1 1 3 LYS HD2 H 13.364 -3.943 0.836 1.00 . A A . 3 LYS HD2 1 1 4 1077 1 1 3 LYS HD3 H 14.730 -3.466 -0.171 1.00 . A A . 3 LYS HD3 1 1 4 1078 1 1 3 LYS HE2 H 15.016 -1.442 1.233 1.00 . A A . 3 LYS HE2 1 1 4 1079 1 1 3 LYS HE3 H 13.689 -1.985 2.251 1.00 . A A . 3 LYS HE3 1 1 4 1080 1 1 3 LYS HG2 H 12.595 -2.860 -1.213 1.00 . A A . 3 LYS HG2 1 1 4 1081 1 1 3 LYS HG3 H 13.543 -1.426 -0.834 1.00 . A A . 3 LYS HG3 1 1 4 1082 1 1 3 LYS HZ1 H 14.968 -3.975 2.748 1.00 . A A . 3 LYS HZ1 1 1 4 1083 1 1 3 LYS HZ2 H 15.726 -2.571 3.260 1.00 . A A . 3 LYS HZ2 1 1 4 1084 1 1 3 LYS HZ3 H 16.276 -3.374 1.862 1.00 . A A . 3 LYS HZ3 1 1 4 1085 1 1 3 LYS N N 11.574 0.403 -0.868 1.00 . A A . 3 LYS N 1 1 4 1086 1 1 3 LYS NZ N 15.438 -3.108 2.419 1.00 . A A . 3 LYS NZ 1 1 4 1087 1 1 3 LYS O O 8.590 -0.777 0.384 1.00 . A A . 3 LYS O 1 1 4 1088 1 1 4 LEU C C 8.120 1.891 1.894 1.00 . A A . 4 LEU C 1 1 4 1089 1 1 4 LEU CA C 9.130 0.932 2.497 1.00 . A A . 4 LEU CA 1 1 4 1090 1 1 4 LEU CB C 9.865 1.572 3.673 1.00 . A A . 4 LEU CB 1 1 4 1091 1 1 4 LEU CD1 C 11.557 1.422 5.515 1.00 . A A . 4 LEU CD1 1 1 4 1092 1 1 4 LEU CD2 C 10.164 -0.572 4.972 1.00 . A A . 4 LEU CD2 1 1 4 1093 1 1 4 LEU CG C 10.862 0.662 4.408 1.00 . A A . 4 LEU CG 1 1 4 1094 1 1 4 LEU H H 10.985 0.829 1.507 1.00 . A A . 4 LEU H 1 1 4 1095 1 1 4 LEU HA H 8.597 0.063 2.853 1.00 . A A . 4 LEU HA 1 1 4 1096 1 1 4 LEU HB2 H 10.398 2.436 3.305 1.00 . A A . 4 LEU HB2 1 1 4 1097 1 1 4 LEU HB3 H 9.130 1.907 4.390 1.00 . A A . 4 LEU HB3 1 1 4 1098 1 1 4 LEU HD11 H 10.829 1.752 6.241 1.00 . A A . 4 LEU HD11 1 1 4 1099 1 1 4 LEU HD12 H 12.065 2.278 5.098 1.00 . A A . 4 LEU HD12 1 1 4 1100 1 1 4 LEU HD13 H 12.278 0.776 5.993 1.00 . A A . 4 LEU HD13 1 1 4 1101 1 1 4 LEU HD21 H 9.738 -1.151 4.166 1.00 . A A . 4 LEU HD21 1 1 4 1102 1 1 4 LEU HD22 H 9.379 -0.265 5.647 1.00 . A A . 4 LEU HD22 1 1 4 1103 1 1 4 LEU HD23 H 10.882 -1.176 5.509 1.00 . A A . 4 LEU HD23 1 1 4 1104 1 1 4 LEU HG H 11.616 0.335 3.708 1.00 . A A . 4 LEU HG 1 1 4 1105 1 1 4 LEU N N 10.072 0.479 1.496 1.00 . A A . 4 LEU N 1 1 4 1106 1 1 4 LEU O O 6.984 1.960 2.345 1.00 . A A . 4 LEU O 1 1 4 1107 1 1 5 LEU C C 6.572 2.700 -0.585 1.00 . A A . 5 LEU C 1 1 4 1108 1 1 5 LEU CA C 7.660 3.516 0.142 1.00 . A A . 5 LEU CA 1 1 4 1109 1 1 5 LEU CB C 8.523 4.382 -0.832 1.00 . A A . 5 LEU CB 1 1 4 1110 1 1 5 LEU CD1 C 6.969 5.072 -2.748 1.00 . A A . 5 LEU CD1 1 1 4 1111 1 1 5 LEU CD2 C 7.077 6.462 -0.672 1.00 . A A . 5 LEU CD2 1 1 4 1112 1 1 5 LEU CG C 7.857 5.552 -1.614 1.00 . A A . 5 LEU CG 1 1 4 1113 1 1 5 LEU H H 9.473 2.531 0.579 1.00 . A A . 5 LEU H 1 1 4 1114 1 1 5 LEU HA H 7.184 4.157 0.869 1.00 . A A . 5 LEU HA 1 1 4 1115 1 1 5 LEU HB2 H 9.335 4.803 -0.258 1.00 . A A . 5 LEU HB2 1 1 4 1116 1 1 5 LEU HB3 H 8.953 3.704 -1.554 1.00 . A A . 5 LEU HB3 1 1 4 1117 1 1 5 LEU HD11 H 7.557 4.500 -3.450 1.00 . A A . 5 LEU HD11 1 1 4 1118 1 1 5 LEU HD12 H 6.538 5.926 -3.249 1.00 . A A . 5 LEU HD12 1 1 4 1119 1 1 5 LEU HD13 H 6.182 4.452 -2.346 1.00 . A A . 5 LEU HD13 1 1 4 1120 1 1 5 LEU HD21 H 6.634 7.267 -1.239 1.00 . A A . 5 LEU HD21 1 1 4 1121 1 1 5 LEU HD22 H 7.745 6.868 0.071 1.00 . A A . 5 LEU HD22 1 1 4 1122 1 1 5 LEU HD23 H 6.296 5.895 -0.186 1.00 . A A . 5 LEU HD23 1 1 4 1123 1 1 5 LEU HG H 8.643 6.143 -2.061 1.00 . A A . 5 LEU HG 1 1 4 1124 1 1 5 LEU N N 8.535 2.602 0.861 1.00 . A A . 5 LEU N 1 1 4 1125 1 1 5 LEU O O 5.388 3.071 -0.598 1.00 . A A . 5 LEU O 1 1 4 1126 1 1 6 LYS C C 5.179 -0.046 -0.817 1.00 . A A . 6 LYS C 1 1 4 1127 1 1 6 LYS CA C 6.033 0.696 -1.830 1.00 . A A . 6 LYS CA 1 1 4 1128 1 1 6 LYS CB C 6.756 -0.292 -2.728 1.00 . A A . 6 LYS CB 1 1 4 1129 1 1 6 LYS CD C 8.239 -0.680 -4.720 1.00 . A A . 6 LYS CD 1 1 4 1130 1 1 6 LYS CE C 9.269 -1.457 -3.908 1.00 . A A . 6 LYS CE 1 1 4 1131 1 1 6 LYS CG C 7.523 0.357 -3.872 1.00 . A A . 6 LYS CG 1 1 4 1132 1 1 6 LYS H H 7.926 1.351 -1.139 1.00 . A A . 6 LYS H 1 1 4 1133 1 1 6 LYS HA H 5.383 1.311 -2.434 1.00 . A A . 6 LYS HA 1 1 4 1134 1 1 6 LYS HB2 H 7.452 -0.842 -2.113 1.00 . A A . 6 LYS HB2 1 1 4 1135 1 1 6 LYS HB3 H 6.036 -0.981 -3.143 1.00 . A A . 6 LYS HB3 1 1 4 1136 1 1 6 LYS HD2 H 7.512 -1.370 -5.120 1.00 . A A . 6 LYS HD2 1 1 4 1137 1 1 6 LYS HD3 H 8.739 -0.178 -5.536 1.00 . A A . 6 LYS HD3 1 1 4 1138 1 1 6 LYS HE2 H 10.011 -0.770 -3.531 1.00 . A A . 6 LYS HE2 1 1 4 1139 1 1 6 LYS HE3 H 8.771 -1.932 -3.076 1.00 . A A . 6 LYS HE3 1 1 4 1140 1 1 6 LYS HG2 H 6.829 0.901 -4.497 1.00 . A A . 6 LYS HG2 1 1 4 1141 1 1 6 LYS HG3 H 8.250 1.041 -3.460 1.00 . A A . 6 LYS HG3 1 1 4 1142 1 1 6 LYS HZ1 H 9.233 -3.202 -5.008 1.00 . A A . 6 LYS HZ1 1 1 4 1143 1 1 6 LYS HZ2 H 10.684 -2.949 -4.155 1.00 . A A . 6 LYS HZ2 1 1 4 1144 1 1 6 LYS HZ3 H 10.357 -2.068 -5.557 1.00 . A A . 6 LYS HZ3 1 1 4 1145 1 1 6 LYS N N 6.969 1.581 -1.157 1.00 . A A . 6 LYS N 1 1 4 1146 1 1 6 LYS NZ N 9.933 -2.494 -4.709 1.00 . A A . 6 LYS NZ 1 1 4 1147 1 1 6 LYS O O 4.011 -0.311 -1.065 1.00 . A A . 6 LYS O 1 1 4 1148 1 1 7 ARG C C 4.000 -0.104 1.989 1.00 . A A . 7 ARG C 1 1 4 1149 1 1 7 ARG CA C 5.060 -1.039 1.399 1.00 . A A . 7 ARG CA 1 1 4 1150 1 1 7 ARG CB C 6.056 -1.497 2.477 1.00 . A A . 7 ARG CB 1 1 4 1151 1 1 7 ARG CD C 4.688 -3.500 3.205 1.00 . A A . 7 ARG CD 1 1 4 1152 1 1 7 ARG CG C 5.441 -2.253 3.654 1.00 . A A . 7 ARG CG 1 1 4 1153 1 1 7 ARG CZ C 5.238 -5.713 2.198 1.00 . A A . 7 ARG CZ 1 1 4 1154 1 1 7 ARG H H 6.730 -0.195 0.421 1.00 . A A . 7 ARG H 1 1 4 1155 1 1 7 ARG HA H 4.567 -1.905 0.981 1.00 . A A . 7 ARG HA 1 1 4 1156 1 1 7 ARG HB2 H 6.796 -2.136 2.018 1.00 . A A . 7 ARG HB2 1 1 4 1157 1 1 7 ARG HB3 H 6.554 -0.621 2.865 1.00 . A A . 7 ARG HB3 1 1 4 1158 1 1 7 ARG HD2 H 4.324 -4.012 4.082 1.00 . A A . 7 ARG HD2 1 1 4 1159 1 1 7 ARG HD3 H 3.850 -3.202 2.594 1.00 . A A . 7 ARG HD3 1 1 4 1160 1 1 7 ARG HE H 6.367 -4.049 2.074 1.00 . A A . 7 ARG HE 1 1 4 1161 1 1 7 ARG HG2 H 6.230 -2.549 4.329 1.00 . A A . 7 ARG HG2 1 1 4 1162 1 1 7 ARG HG3 H 4.758 -1.594 4.170 1.00 . A A . 7 ARG HG3 1 1 4 1163 1 1 7 ARG HH11 H 3.479 -5.713 3.252 1.00 . A A . 7 ARG HH11 1 1 4 1164 1 1 7 ARG HH12 H 3.839 -7.210 2.545 1.00 . A A . 7 ARG HH12 1 1 4 1165 1 1 7 ARG HH21 H 6.910 -6.049 1.099 1.00 . A A . 7 ARG HH21 1 1 4 1166 1 1 7 ARG HH22 H 5.888 -7.412 1.246 1.00 . A A . 7 ARG HH22 1 1 4 1167 1 1 7 ARG N N 5.769 -0.373 0.318 1.00 . A A . 7 ARG N 1 1 4 1168 1 1 7 ARG NE N 5.533 -4.431 2.439 1.00 . A A . 7 ARG NE 1 1 4 1169 1 1 7 ARG NH1 N 4.118 -6.256 2.695 1.00 . A A . 7 ARG NH1 1 1 4 1170 1 1 7 ARG NH2 N 6.065 -6.450 1.470 1.00 . A A . 7 ARG NH2 1 1 4 1171 1 1 7 ARG O O 2.871 -0.518 2.258 1.00 . A A . 7 ARG O 1 1 4 1172 1 1 8 LEU C C 2.348 2.397 1.635 1.00 . A A . 8 LEU C 1 1 4 1173 1 1 8 LEU CA C 3.453 2.174 2.657 1.00 . A A . 8 LEU CA 1 1 4 1174 1 1 8 LEU CB C 4.208 3.490 2.906 1.00 . A A . 8 LEU CB 1 1 4 1175 1 1 8 LEU CD1 C 2.963 4.276 4.946 1.00 . A A . 8 LEU CD1 1 1 4 1176 1 1 8 LEU CD2 C 4.219 5.919 3.536 1.00 . A A . 8 LEU CD2 1 1 4 1177 1 1 8 LEU CG C 3.405 4.635 3.535 1.00 . A A . 8 LEU CG 1 1 4 1178 1 1 8 LEU H H 5.294 1.411 1.946 1.00 . A A . 8 LEU H 1 1 4 1179 1 1 8 LEU HA H 3.026 1.821 3.583 1.00 . A A . 8 LEU HA 1 1 4 1180 1 1 8 LEU HB2 H 5.048 3.279 3.550 1.00 . A A . 8 LEU HB2 1 1 4 1181 1 1 8 LEU HB3 H 4.592 3.834 1.957 1.00 . A A . 8 LEU HB3 1 1 4 1182 1 1 8 LEU HD11 H 3.832 4.082 5.558 1.00 . A A . 8 LEU HD11 1 1 4 1183 1 1 8 LEU HD12 H 2.336 3.398 4.921 1.00 . A A . 8 LEU HD12 1 1 4 1184 1 1 8 LEU HD13 H 2.407 5.102 5.366 1.00 . A A . 8 LEU HD13 1 1 4 1185 1 1 8 LEU HD21 H 3.637 6.713 3.982 1.00 . A A . 8 LEU HD21 1 1 4 1186 1 1 8 LEU HD22 H 4.470 6.186 2.521 1.00 . A A . 8 LEU HD22 1 1 4 1187 1 1 8 LEU HD23 H 5.124 5.772 4.106 1.00 . A A . 8 LEU HD23 1 1 4 1188 1 1 8 LEU HG H 2.515 4.798 2.945 1.00 . A A . 8 LEU HG 1 1 4 1189 1 1 8 LEU N N 4.366 1.158 2.152 1.00 . A A . 8 LEU N 1 1 4 1190 1 1 8 LEU O O 1.166 2.486 1.981 1.00 . A A . 8 LEU O 1 1 4 1191 1 1 9 GLY C C 0.875 1.455 -0.847 1.00 . A A . 9 GLY C 1 1 4 1192 1 1 9 GLY CA C 1.828 2.620 -0.722 1.00 . A A . 9 GLY CA 1 1 4 1193 1 1 9 GLY H H 3.714 2.389 0.181 1.00 . A A . 9 GLY H 1 1 4 1194 1 1 9 GLY HA2 H 1.260 3.525 -0.569 1.00 . A A . 9 GLY HA2 1 1 4 1195 1 1 9 GLY HA3 H 2.393 2.706 -1.638 1.00 . A A . 9 GLY HA3 1 1 4 1196 1 1 9 GLY N N 2.753 2.450 0.372 1.00 . A A . 9 GLY N 1 1 4 1197 1 1 9 GLY O O -0.276 1.638 -1.199 1.00 . A A . 9 GLY O 1 1 4 1198 1 1 10 LYS C C -0.602 -0.838 0.401 1.00 . A A . 10 LYS C 1 1 4 1199 1 1 10 LYS CA C 0.561 -0.957 -0.565 1.00 . A A . 10 LYS CA 1 1 4 1200 1 1 10 LYS CB C 1.422 -2.165 -0.192 1.00 . A A . 10 LYS CB 1 1 4 1201 1 1 10 LYS CD C 1.625 -4.645 0.071 1.00 . A A . 10 LYS CD 1 1 4 1202 1 1 10 LYS CE C 0.992 -5.986 -0.256 1.00 . A A . 10 LYS CE 1 1 4 1203 1 1 10 LYS CG C 0.708 -3.498 -0.301 1.00 . A A . 10 LYS CG 1 1 4 1204 1 1 10 LYS H H 2.308 0.200 -0.284 1.00 . A A . 10 LYS H 1 1 4 1205 1 1 10 LYS HA H 0.183 -1.086 -1.568 1.00 . A A . 10 LYS HA 1 1 4 1206 1 1 10 LYS HB2 H 2.286 -2.191 -0.839 1.00 . A A . 10 LYS HB2 1 1 4 1207 1 1 10 LYS HB3 H 1.759 -2.043 0.827 1.00 . A A . 10 LYS HB3 1 1 4 1208 1 1 10 LYS HD2 H 2.548 -4.547 -0.482 1.00 . A A . 10 LYS HD2 1 1 4 1209 1 1 10 LYS HD3 H 1.833 -4.601 1.131 1.00 . A A . 10 LYS HD3 1 1 4 1210 1 1 10 LYS HE2 H 1.637 -6.773 0.103 1.00 . A A . 10 LYS HE2 1 1 4 1211 1 1 10 LYS HE3 H 0.034 -6.050 0.239 1.00 . A A . 10 LYS HE3 1 1 4 1212 1 1 10 LYS HG2 H -0.134 -3.489 0.376 1.00 . A A . 10 LYS HG2 1 1 4 1213 1 1 10 LYS HG3 H 0.348 -3.636 -1.309 1.00 . A A . 10 LYS HG3 1 1 4 1214 1 1 10 LYS HZ1 H 0.164 -5.422 -2.105 1.00 . A A . 10 LYS HZ1 1 1 4 1215 1 1 10 LYS HZ2 H 0.364 -7.075 -1.924 1.00 . A A . 10 LYS HZ2 1 1 4 1216 1 1 10 LYS HZ3 H 1.704 -6.092 -2.220 1.00 . A A . 10 LYS HZ3 1 1 4 1217 1 1 10 LYS N N 1.360 0.263 -0.530 1.00 . A A . 10 LYS N 1 1 4 1218 1 1 10 LYS NZ N 0.794 -6.153 -1.718 1.00 . A A . 10 LYS NZ 1 1 4 1219 1 1 10 LYS O O -1.739 -1.153 0.064 1.00 . A A . 10 LYS O 1 1 4 1220 1 1 11 LYS C C -2.335 0.891 2.142 1.00 . A A . 11 LYS C 1 1 4 1221 1 1 11 LYS CA C -1.315 -0.139 2.601 1.00 . A A . 11 LYS CA 1 1 4 1222 1 1 11 LYS CB C -0.677 0.289 3.910 1.00 . A A . 11 LYS CB 1 1 4 1223 1 1 11 LYS CD C 0.817 -0.253 5.824 1.00 . A A . 11 LYS CD 1 1 4 1224 1 1 11 LYS CE C 1.688 -1.303 6.471 1.00 . A A . 11 LYS CE 1 1 4 1225 1 1 11 LYS CG C 0.242 -0.747 4.517 1.00 . A A . 11 LYS CG 1 1 4 1226 1 1 11 LYS H H 0.624 -0.100 1.767 1.00 . A A . 11 LYS H 1 1 4 1227 1 1 11 LYS HA H -1.819 -1.083 2.748 1.00 . A A . 11 LYS HA 1 1 4 1228 1 1 11 LYS HB2 H -0.092 1.177 3.721 1.00 . A A . 11 LYS HB2 1 1 4 1229 1 1 11 LYS HB3 H -1.456 0.519 4.621 1.00 . A A . 11 LYS HB3 1 1 4 1230 1 1 11 LYS HD2 H 1.413 0.627 5.633 1.00 . A A . 11 LYS HD2 1 1 4 1231 1 1 11 LYS HD3 H 0.009 0.000 6.494 1.00 . A A . 11 LYS HD3 1 1 4 1232 1 1 11 LYS HE2 H 1.095 -2.190 6.632 1.00 . A A . 11 LYS HE2 1 1 4 1233 1 1 11 LYS HE3 H 2.510 -1.535 5.812 1.00 . A A . 11 LYS HE3 1 1 4 1234 1 1 11 LYS HG2 H -0.317 -1.652 4.697 1.00 . A A . 11 LYS HG2 1 1 4 1235 1 1 11 LYS HG3 H 1.048 -0.949 3.828 1.00 . A A . 11 LYS HG3 1 1 4 1236 1 1 11 LYS HZ1 H 2.799 -1.587 8.204 1.00 . A A . 11 LYS HZ1 1 1 4 1237 1 1 11 LYS HZ2 H 1.448 -0.607 8.418 1.00 . A A . 11 LYS HZ2 1 1 4 1238 1 1 11 LYS HZ3 H 2.810 0.001 7.644 1.00 . A A . 11 LYS HZ3 1 1 4 1239 1 1 11 LYS N N -0.309 -0.339 1.583 1.00 . A A . 11 LYS N 1 1 4 1240 1 1 11 LYS NZ N 2.218 -0.848 7.764 1.00 . A A . 11 LYS NZ 1 1 4 1241 1 1 11 LYS O O -3.541 0.746 2.397 1.00 . A A . 11 LYS O 1 1 4 1242 1 1 12 ILE C C -3.594 2.297 -0.222 1.00 . A A . 12 ILE C 1 1 4 1243 1 1 12 ILE CA C -2.718 2.926 0.867 1.00 . A A . 12 ILE CA 1 1 4 1244 1 1 12 ILE CB C -1.903 4.119 0.271 1.00 . A A . 12 ILE CB 1 1 4 1245 1 1 12 ILE CD1 C -0.096 5.851 0.842 1.00 . A A . 12 ILE CD1 1 1 4 1246 1 1 12 ILE CG1 C -1.002 4.743 1.349 1.00 . A A . 12 ILE CG1 1 1 4 1247 1 1 12 ILE CG2 C -2.847 5.182 -0.304 1.00 . A A . 12 ILE CG2 1 1 4 1248 1 1 12 ILE H H -0.885 1.964 1.298 1.00 . A A . 12 ILE H 1 1 4 1249 1 1 12 ILE HA H -3.357 3.289 1.659 1.00 . A A . 12 ILE HA 1 1 4 1250 1 1 12 ILE HB H -1.286 3.739 -0.528 1.00 . A A . 12 ILE HB 1 1 4 1251 1 1 12 ILE HD11 H -0.700 6.646 0.430 1.00 . A A . 12 ILE HD11 1 1 4 1252 1 1 12 ILE HD12 H 0.556 5.464 0.074 1.00 . A A . 12 ILE HD12 1 1 4 1253 1 1 12 ILE HD13 H 0.495 6.235 1.660 1.00 . A A . 12 ILE HD13 1 1 4 1254 1 1 12 ILE HG12 H -1.621 5.157 2.131 1.00 . A A . 12 ILE HG12 1 1 4 1255 1 1 12 ILE HG13 H -0.377 3.968 1.769 1.00 . A A . 12 ILE HG13 1 1 4 1256 1 1 12 ILE HG21 H -3.450 4.742 -1.085 1.00 . A A . 12 ILE HG21 1 1 4 1257 1 1 12 ILE HG22 H -2.267 5.995 -0.713 1.00 . A A . 12 ILE HG22 1 1 4 1258 1 1 12 ILE HG23 H -3.489 5.555 0.480 1.00 . A A . 12 ILE HG23 1 1 4 1259 1 1 12 ILE N N -1.855 1.904 1.435 1.00 . A A . 12 ILE N 1 1 4 1260 1 1 12 ILE O O -4.768 2.580 -0.302 1.00 . A A . 12 ILE O 1 1 4 1261 1 1 13 ARG C C -4.915 -0.076 -1.509 1.00 . A A . 13 ARG C 1 1 4 1262 1 1 13 ARG CA C -3.719 0.679 -2.089 1.00 . A A . 13 ARG CA 1 1 4 1263 1 1 13 ARG CB C -2.791 -0.326 -2.814 1.00 . A A . 13 ARG CB 1 1 4 1264 1 1 13 ARG CD C -2.121 1.066 -4.839 1.00 . A A . 13 ARG CD 1 1 4 1265 1 1 13 ARG CG C -1.639 0.251 -3.647 1.00 . A A . 13 ARG CG 1 1 4 1266 1 1 13 ARG CZ C -3.798 2.893 -4.999 1.00 . A A . 13 ARG CZ 1 1 4 1267 1 1 13 ARG H H -2.035 1.263 -0.906 1.00 . A A . 13 ARG H 1 1 4 1268 1 1 13 ARG HA H -4.078 1.404 -2.804 1.00 . A A . 13 ARG HA 1 1 4 1269 1 1 13 ARG HB2 H -2.334 -0.940 -2.055 1.00 . A A . 13 ARG HB2 1 1 4 1270 1 1 13 ARG HB3 H -3.392 -0.957 -3.452 1.00 . A A . 13 ARG HB3 1 1 4 1271 1 1 13 ARG HD2 H -1.280 1.262 -5.488 1.00 . A A . 13 ARG HD2 1 1 4 1272 1 1 13 ARG HD3 H -2.856 0.485 -5.376 1.00 . A A . 13 ARG HD3 1 1 4 1273 1 1 13 ARG HE H -2.229 2.806 -3.725 1.00 . A A . 13 ARG HE 1 1 4 1274 1 1 13 ARG HG2 H -1.044 0.894 -3.015 1.00 . A A . 13 ARG HG2 1 1 4 1275 1 1 13 ARG HG3 H -1.024 -0.564 -4.000 1.00 . A A . 13 ARG HG3 1 1 4 1276 1 1 13 ARG HH11 H -4.169 1.375 -6.342 1.00 . A A . 13 ARG HH11 1 1 4 1277 1 1 13 ARG HH12 H -5.271 2.670 -6.395 1.00 . A A . 13 ARG HH12 1 1 4 1278 1 1 13 ARG HH21 H -3.739 4.604 -3.877 1.00 . A A . 13 ARG HH21 1 1 4 1279 1 1 13 ARG HH22 H -5.043 4.493 -4.977 1.00 . A A . 13 ARG HH22 1 1 4 1280 1 1 13 ARG N N -3.000 1.411 -1.028 1.00 . A A . 13 ARG N 1 1 4 1281 1 1 13 ARG NE N -2.714 2.342 -4.447 1.00 . A A . 13 ARG NE 1 1 4 1282 1 1 13 ARG NH1 N -4.451 2.266 -5.976 1.00 . A A . 13 ARG NH1 1 1 4 1283 1 1 13 ARG NH2 N -4.215 4.080 -4.589 1.00 . A A . 13 ARG NH2 1 1 4 1284 1 1 13 ARG O O -6.032 0.013 -2.021 1.00 . A A . 13 ARG O 1 1 4 1285 1 1 14 LEU C C -6.800 -0.610 0.817 1.00 . A A . 14 LEU C 1 1 4 1286 1 1 14 LEU CA C -5.753 -1.546 0.227 1.00 . A A . 14 LEU CA 1 1 4 1287 1 1 14 LEU CB C -5.231 -2.540 1.290 1.00 . A A . 14 LEU CB 1 1 4 1288 1 1 14 LEU CD1 C -5.718 -4.641 -0.026 1.00 . A A . 14 LEU CD1 1 1 4 1289 1 1 14 LEU CD2 C -3.386 -3.762 0.012 1.00 . A A . 14 LEU CD2 1 1 4 1290 1 1 14 LEU CG C -4.680 -3.904 0.795 1.00 . A A . 14 LEU CG 1 1 4 1291 1 1 14 LEU H H -3.763 -0.857 -0.081 1.00 . A A . 14 LEU H 1 1 4 1292 1 1 14 LEU HA H -6.247 -2.105 -0.553 1.00 . A A . 14 LEU HA 1 1 4 1293 1 1 14 LEU HB2 H -4.438 -2.048 1.833 1.00 . A A . 14 LEU HB2 1 1 4 1294 1 1 14 LEU HB3 H -6.034 -2.734 1.985 1.00 . A A . 14 LEU HB3 1 1 4 1295 1 1 14 LEU HD11 H -5.323 -5.600 -0.326 1.00 . A A . 14 LEU HD11 1 1 4 1296 1 1 14 LEU HD12 H -5.957 -4.072 -0.912 1.00 . A A . 14 LEU HD12 1 1 4 1297 1 1 14 LEU HD13 H -6.610 -4.786 0.564 1.00 . A A . 14 LEU HD13 1 1 4 1298 1 1 14 LEU HD21 H -3.555 -3.137 -0.852 1.00 . A A . 14 LEU HD21 1 1 4 1299 1 1 14 LEU HD22 H -3.050 -4.738 -0.307 1.00 . A A . 14 LEU HD22 1 1 4 1300 1 1 14 LEU HD23 H -2.633 -3.310 0.641 1.00 . A A . 14 LEU HD23 1 1 4 1301 1 1 14 LEU HG H -4.488 -4.515 1.664 1.00 . A A . 14 LEU HG 1 1 4 1302 1 1 14 LEU N N -4.681 -0.808 -0.430 1.00 . A A . 14 LEU N 1 1 4 1303 1 1 14 LEU O O -8.006 -0.842 0.660 1.00 . A A . 14 LEU O 1 1 4 1304 1 1 15 ALA C C -8.069 2.168 1.013 1.00 . A A . 15 ALA C 1 1 4 1305 1 1 15 ALA CA C -7.230 1.439 2.060 1.00 . A A . 15 ALA CA 1 1 4 1306 1 1 15 ALA CB C -6.431 2.432 2.893 1.00 . A A . 15 ALA CB 1 1 4 1307 1 1 15 ALA H H -5.373 0.612 1.475 1.00 . A A . 15 ALA H 1 1 4 1308 1 1 15 ALA HA H -7.895 0.899 2.717 1.00 . A A . 15 ALA HA 1 1 4 1309 1 1 15 ALA HB1 H -7.107 3.104 3.399 1.00 . A A . 15 ALA HB1 1 1 4 1310 1 1 15 ALA HB2 H -5.779 3.000 2.246 1.00 . A A . 15 ALA HB2 1 1 4 1311 1 1 15 ALA HB3 H -5.839 1.898 3.621 1.00 . A A . 15 ALA HB3 1 1 4 1312 1 1 15 ALA N N -6.343 0.465 1.436 1.00 . A A . 15 ALA N 1 1 4 1313 1 1 15 ALA O O -9.258 2.381 1.209 1.00 . A A . 15 ALA O 1 1 4 1314 1 1 16 ALA C C -9.257 2.439 -1.776 1.00 . A A . 16 ALA C 1 1 4 1315 1 1 16 ALA CA C -8.084 3.214 -1.209 1.00 . A A . 16 ALA CA 1 1 4 1316 1 1 16 ALA CB C -7.076 3.518 -2.301 1.00 . A A . 16 ALA CB 1 1 4 1317 1 1 16 ALA H H -6.490 2.276 -0.198 1.00 . A A . 16 ALA H 1 1 4 1318 1 1 16 ALA HA H -8.445 4.151 -0.816 1.00 . A A . 16 ALA HA 1 1 4 1319 1 1 16 ALA HB1 H -7.559 4.093 -3.076 1.00 . A A . 16 ALA HB1 1 1 4 1320 1 1 16 ALA HB2 H -6.707 2.592 -2.716 1.00 . A A . 16 ALA HB2 1 1 4 1321 1 1 16 ALA HB3 H -6.254 4.085 -1.889 1.00 . A A . 16 ALA HB3 1 1 4 1322 1 1 16 ALA N N -7.444 2.499 -0.109 1.00 . A A . 16 ALA N 1 1 4 1323 1 1 16 ALA O O -10.273 3.018 -2.158 1.00 . A A . 16 ALA O 1 1 4 1324 1 1 17 ALA C C -11.264 0.146 -1.223 1.00 . A A . 17 ALA C 1 1 4 1325 1 1 17 ALA CA C -10.193 0.300 -2.300 1.00 . A A . 17 ALA CA 1 1 4 1326 1 1 17 ALA CB C -9.642 -1.059 -2.701 1.00 . A A . 17 ALA CB 1 1 4 1327 1 1 17 ALA H H -8.274 0.745 -1.535 1.00 . A A . 17 ALA H 1 1 4 1328 1 1 17 ALA HA H -10.628 0.768 -3.170 1.00 . A A . 17 ALA HA 1 1 4 1329 1 1 17 ALA HB1 H -8.906 -0.932 -3.480 1.00 . A A . 17 ALA HB1 1 1 4 1330 1 1 17 ALA HB2 H -10.444 -1.689 -3.056 1.00 . A A . 17 ALA HB2 1 1 4 1331 1 1 17 ALA HB3 H -9.175 -1.518 -1.843 1.00 . A A . 17 ALA HB3 1 1 4 1332 1 1 17 ALA N N -9.125 1.141 -1.819 1.00 . A A . 17 ALA N 1 1 4 1333 1 1 17 ALA O O -12.462 0.103 -1.515 1.00 . A A . 17 ALA O 1 1 4 1334 1 1 18 PHE C C -12.639 1.059 1.454 1.00 . A A . 18 PHE C 1 1 4 1335 1 1 18 PHE CA C -11.685 -0.106 1.160 1.00 . A A . 18 PHE CA 1 1 4 1336 1 1 18 PHE CB C -10.833 -0.428 2.403 1.00 . A A . 18 PHE CB 1 1 4 1337 1 1 18 PHE CD1 C -11.969 -2.121 3.859 1.00 . A A . 18 PHE CD1 1 1 4 1338 1 1 18 PHE CD2 C -12.043 0.161 4.530 1.00 . A A . 18 PHE CD2 1 1 4 1339 1 1 18 PHE CE1 C -12.704 -2.471 4.969 1.00 . A A . 18 PHE CE1 1 1 4 1340 1 1 18 PHE CE2 C -12.776 -0.186 5.641 1.00 . A A . 18 PHE CE2 1 1 4 1341 1 1 18 PHE CG C -11.631 -0.804 3.623 1.00 . A A . 18 PHE CG 1 1 4 1342 1 1 18 PHE CZ C -13.109 -1.502 5.863 1.00 . A A . 18 PHE CZ 1 1 4 1343 1 1 18 PHE H H -9.874 0.326 0.172 1.00 . A A . 18 PHE H 1 1 4 1344 1 1 18 PHE HA H -12.279 -0.978 0.935 1.00 . A A . 18 PHE HA 1 1 4 1345 1 1 18 PHE HB2 H -10.174 -1.252 2.175 1.00 . A A . 18 PHE HB2 1 1 4 1346 1 1 18 PHE HB3 H -10.237 0.439 2.648 1.00 . A A . 18 PHE HB3 1 1 4 1347 1 1 18 PHE HD1 H -11.652 -2.884 3.161 1.00 . A A . 18 PHE HD1 1 1 4 1348 1 1 18 PHE HD2 H -11.785 1.196 4.357 1.00 . A A . 18 PHE HD2 1 1 4 1349 1 1 18 PHE HE1 H -12.961 -3.506 5.143 1.00 . A A . 18 PHE HE1 1 1 4 1350 1 1 18 PHE HE2 H -13.092 0.574 6.339 1.00 . A A . 18 PHE HE2 1 1 4 1351 1 1 18 PHE HZ H -13.685 -1.778 6.734 1.00 . A A . 18 PHE HZ 1 1 4 1352 1 1 18 PHE N N -10.825 0.142 0.018 1.00 . A A . 18 PHE N 1 1 4 1353 1 1 18 PHE O O -13.802 0.826 1.786 1.00 . A A . 18 PHE O 1 1 4 1354 1 1 19 LYS C C -14.169 3.675 0.806 1.00 . A A . 19 LYS C 1 1 4 1355 1 1 19 LYS CA C -12.919 3.470 1.689 1.00 . A A . 19 LYS CA 1 1 4 1356 1 1 19 LYS CB C -11.993 4.675 1.701 1.00 . A A . 19 LYS CB 1 1 4 1357 1 1 19 LYS CD C -10.053 5.802 0.607 1.00 . A A . 19 LYS CD 1 1 4 1358 1 1 19 LYS CE C -10.586 7.204 0.729 1.00 . A A . 19 LYS CE 1 1 4 1359 1 1 19 LYS CG C -11.141 4.789 0.454 1.00 . A A . 19 LYS CG 1 1 4 1360 1 1 19 LYS H H -11.223 2.448 1.042 1.00 . A A . 19 LYS H 1 1 4 1361 1 1 19 LYS HA H -13.265 3.314 2.700 1.00 . A A . 19 LYS HA 1 1 4 1362 1 1 19 LYS HB2 H -12.588 5.571 1.799 1.00 . A A . 19 LYS HB2 1 1 4 1363 1 1 19 LYS HB3 H -11.335 4.596 2.553 1.00 . A A . 19 LYS HB3 1 1 4 1364 1 1 19 LYS HD2 H -9.474 5.562 1.486 1.00 . A A . 19 LYS HD2 1 1 4 1365 1 1 19 LYS HD3 H -9.434 5.720 -0.270 1.00 . A A . 19 LYS HD3 1 1 4 1366 1 1 19 LYS HE2 H -11.288 7.245 1.548 1.00 . A A . 19 LYS HE2 1 1 4 1367 1 1 19 LYS HE3 H -9.740 7.834 0.944 1.00 . A A . 19 LYS HE3 1 1 4 1368 1 1 19 LYS HG2 H -10.685 3.835 0.234 1.00 . A A . 19 LYS HG2 1 1 4 1369 1 1 19 LYS HG3 H -11.774 5.075 -0.371 1.00 . A A . 19 LYS HG3 1 1 4 1370 1 1 19 LYS HZ1 H -11.656 8.610 -0.373 1.00 . A A . 19 LYS HZ1 1 1 4 1371 1 1 19 LYS HZ2 H -12.008 7.025 -0.817 1.00 . A A . 19 LYS HZ2 1 1 4 1372 1 1 19 LYS HZ3 H -10.551 7.738 -1.280 1.00 . A A . 19 LYS HZ3 1 1 4 1373 1 1 19 LYS N N -12.148 2.287 1.348 1.00 . A A . 19 LYS N 1 1 4 1374 1 1 19 LYS NZ N -11.247 7.664 -0.511 1.00 . A A . 19 LYS NZ 1 1 4 1375 1 1 19 LYS O O -14.077 4.259 -0.297 1.00 . A A . 19 LYS O 1 1 4 1376 1 1 19 LYS OXT O -15.265 3.278 1.223 1.00 . A A . 19 LYS OXT 1 1 5 1377 1 1 1 PRO C C 12.916 2.700 -1.316 1.00 . A A . 1 PRO C 1 1 5 1378 1 1 1 PRO CA C 14.384 2.948 -1.070 1.00 . A A . 1 PRO CA 1 1 5 1379 1 1 1 PRO CB C 15.124 1.644 -0.846 1.00 . A A . 1 PRO CB 1 1 5 1380 1 1 1 PRO CD C 15.406 3.050 1.093 1.00 . A A . 1 PRO CD 1 1 5 1381 1 1 1 PRO CG C 16.060 1.958 0.269 1.00 . A A . 1 PRO CG 1 1 5 1382 1 1 1 PRO H2 H 15.552 4.012 0.237 1.00 . A A . 1 PRO H2 1 1 5 1383 1 1 1 PRO H3 H 14.031 3.443 0.911 1.00 . A A . 1 PRO H3 1 1 5 1384 1 1 1 PRO HA H 14.800 3.449 -1.929 1.00 . A A . 1 PRO HA 1 1 5 1385 1 1 1 PRO HB2 H 14.423 0.866 -0.581 1.00 . A A . 1 PRO HB2 1 1 5 1386 1 1 1 PRO HB3 H 15.661 1.366 -1.741 1.00 . A A . 1 PRO HB3 1 1 5 1387 1 1 1 PRO HD2 H 14.850 2.543 1.870 1.00 . A A . 1 PRO HD2 1 1 5 1388 1 1 1 PRO HD3 H 16.150 3.666 1.582 1.00 . A A . 1 PRO HD3 1 1 5 1389 1 1 1 PRO HG2 H 16.223 1.076 0.872 1.00 . A A . 1 PRO HG2 1 1 5 1390 1 1 1 PRO HG3 H 16.995 2.310 -0.140 1.00 . A A . 1 PRO HG3 1 1 5 1391 1 1 1 PRO N N 14.552 3.790 0.085 1.00 . A A . 1 PRO N 1 1 5 1392 1 1 1 PRO O O 12.073 3.104 -0.511 1.00 . A A . 1 PRO O 1 1 5 1393 1 1 2 MET C C 10.531 0.721 -2.030 1.00 . A A . 2 MET C 1 1 5 1394 1 1 2 MET CA C 11.253 1.791 -2.828 1.00 . A A . 2 MET CA 1 1 5 1395 1 1 2 MET CB C 11.192 1.473 -4.319 1.00 . A A . 2 MET CB 1 1 5 1396 1 1 2 MET CE C 12.183 3.746 -7.645 1.00 . A A . 2 MET CE 1 1 5 1397 1 1 2 MET CG C 11.631 2.622 -5.202 1.00 . A A . 2 MET CG 1 1 5 1398 1 1 2 MET H H 13.344 1.612 -2.930 1.00 . A A . 2 MET H 1 1 5 1399 1 1 2 MET HA H 10.736 2.725 -2.675 1.00 . A A . 2 MET HA 1 1 5 1400 1 1 2 MET HB2 H 11.831 0.627 -4.523 1.00 . A A . 2 MET HB2 1 1 5 1401 1 1 2 MET HB3 H 10.176 1.214 -4.579 1.00 . A A . 2 MET HB3 1 1 5 1402 1 1 2 MET HE1 H 13.152 3.984 -7.233 1.00 . A A . 2 MET HE1 1 1 5 1403 1 1 2 MET HE2 H 11.483 4.532 -7.402 1.00 . A A . 2 MET HE2 1 1 5 1404 1 1 2 MET HE3 H 12.263 3.651 -8.718 1.00 . A A . 2 MET HE3 1 1 5 1405 1 1 2 MET HG2 H 10.964 3.455 -5.042 1.00 . A A . 2 MET HG2 1 1 5 1406 1 1 2 MET HG3 H 12.634 2.912 -4.927 1.00 . A A . 2 MET HG3 1 1 5 1407 1 1 2 MET N N 12.618 2.010 -2.395 1.00 . A A . 2 MET N 1 1 5 1408 1 1 2 MET O O 9.320 0.726 -1.990 1.00 . A A . 2 MET O 1 1 5 1409 1 1 2 MET SD S 11.608 2.203 -6.951 1.00 . A A . 2 MET SD 1 1 5 1410 1 1 3 LYS C C 9.662 -0.742 0.450 1.00 . A A . 3 LYS C 1 1 5 1411 1 1 3 LYS CA C 10.656 -1.262 -0.590 1.00 . A A . 3 LYS CA 1 1 5 1412 1 1 3 LYS CB C 11.712 -2.154 0.077 1.00 . A A . 3 LYS CB 1 1 5 1413 1 1 3 LYS CD C 13.517 -3.907 -0.184 1.00 . A A . 3 LYS CD 1 1 5 1414 1 1 3 LYS CE C 14.656 -3.057 0.360 1.00 . A A . 3 LYS CE 1 1 5 1415 1 1 3 LYS CG C 12.460 -3.061 -0.888 1.00 . A A . 3 LYS CG 1 1 5 1416 1 1 3 LYS H H 12.243 -0.125 -1.480 1.00 . A A . 3 LYS H 1 1 5 1417 1 1 3 LYS HA H 10.095 -1.866 -1.289 1.00 . A A . 3 LYS HA 1 1 5 1418 1 1 3 LYS HB2 H 12.430 -1.516 0.571 1.00 . A A . 3 LYS HB2 1 1 5 1419 1 1 3 LYS HB3 H 11.224 -2.770 0.818 1.00 . A A . 3 LYS HB3 1 1 5 1420 1 1 3 LYS HD2 H 13.055 -4.433 0.637 1.00 . A A . 3 LYS HD2 1 1 5 1421 1 1 3 LYS HD3 H 13.917 -4.623 -0.886 1.00 . A A . 3 LYS HD3 1 1 5 1422 1 1 3 LYS HE2 H 15.121 -2.535 -0.461 1.00 . A A . 3 LYS HE2 1 1 5 1423 1 1 3 LYS HE3 H 14.257 -2.339 1.057 1.00 . A A . 3 LYS HE3 1 1 5 1424 1 1 3 LYS HG2 H 11.753 -3.722 -1.368 1.00 . A A . 3 LYS HG2 1 1 5 1425 1 1 3 LYS HG3 H 12.942 -2.452 -1.638 1.00 . A A . 3 LYS HG3 1 1 5 1426 1 1 3 LYS HZ1 H 16.043 -4.619 0.416 1.00 . A A . 3 LYS HZ1 1 1 5 1427 1 1 3 LYS HZ2 H 15.295 -4.336 1.889 1.00 . A A . 3 LYS HZ2 1 1 5 1428 1 1 3 LYS HZ3 H 16.481 -3.285 1.331 1.00 . A A . 3 LYS HZ3 1 1 5 1429 1 1 3 LYS N N 11.268 -0.181 -1.389 1.00 . A A . 3 LYS N 1 1 5 1430 1 1 3 LYS NZ N 15.676 -3.873 1.040 1.00 . A A . 3 LYS NZ 1 1 5 1431 1 1 3 LYS O O 8.469 -1.043 0.371 1.00 . A A . 3 LYS O 1 1 5 1432 1 1 4 LEU C C 8.376 1.702 1.911 1.00 . A A . 4 LEU C 1 1 5 1433 1 1 4 LEU CA C 9.274 0.601 2.429 1.00 . A A . 4 LEU CA 1 1 5 1434 1 1 4 LEU CB C 10.084 1.085 3.629 1.00 . A A . 4 LEU CB 1 1 5 1435 1 1 4 LEU CD1 C 11.650 0.638 5.525 1.00 . A A . 4 LEU CD1 1 1 5 1436 1 1 4 LEU CD2 C 9.840 -0.982 5.020 1.00 . A A . 4 LEU CD2 1 1 5 1437 1 1 4 LEU CG C 10.824 0.008 4.426 1.00 . A A . 4 LEU CG 1 1 5 1438 1 1 4 LEU H H 11.082 0.310 1.354 1.00 . A A . 4 LEU H 1 1 5 1439 1 1 4 LEU HA H 8.637 -0.210 2.750 1.00 . A A . 4 LEU HA 1 1 5 1440 1 1 4 LEU HB2 H 10.808 1.798 3.269 1.00 . A A . 4 LEU HB2 1 1 5 1441 1 1 4 LEU HB3 H 9.414 1.599 4.302 1.00 . A A . 4 LEU HB3 1 1 5 1442 1 1 4 LEU HD11 H 12.376 1.307 5.091 1.00 . A A . 4 LEU HD11 1 1 5 1443 1 1 4 LEU HD12 H 12.158 -0.137 6.080 1.00 . A A . 4 LEU HD12 1 1 5 1444 1 1 4 LEU HD13 H 11.004 1.192 6.191 1.00 . A A . 4 LEU HD13 1 1 5 1445 1 1 4 LEU HD21 H 9.132 -0.459 5.645 1.00 . A A . 4 LEU HD21 1 1 5 1446 1 1 4 LEU HD22 H 10.380 -1.700 5.620 1.00 . A A . 4 LEU HD22 1 1 5 1447 1 1 4 LEU HD23 H 9.315 -1.502 4.233 1.00 . A A . 4 LEU HD23 1 1 5 1448 1 1 4 LEU HG H 11.489 -0.529 3.765 1.00 . A A . 4 LEU HG 1 1 5 1449 1 1 4 LEU N N 10.132 0.067 1.376 1.00 . A A . 4 LEU N 1 1 5 1450 1 1 4 LEU O O 7.314 1.957 2.474 1.00 . A A . 4 LEU O 1 1 5 1451 1 1 5 LEU C C 6.739 2.771 -0.403 1.00 . A A . 5 LEU C 1 1 5 1452 1 1 5 LEU CA C 7.992 3.387 0.210 1.00 . A A . 5 LEU CA 1 1 5 1453 1 1 5 LEU CB C 8.807 4.090 -0.875 1.00 . A A . 5 LEU CB 1 1 5 1454 1 1 5 LEU CD1 C 7.610 6.313 -0.821 1.00 . A A . 5 LEU CD1 1 1 5 1455 1 1 5 LEU CD2 C 8.967 5.657 -2.815 1.00 . A A . 5 LEU CD2 1 1 5 1456 1 1 5 LEU CG C 8.077 5.159 -1.696 1.00 . A A . 5 LEU CG 1 1 5 1457 1 1 5 LEU H H 9.672 2.121 0.470 1.00 . A A . 5 LEU H 1 1 5 1458 1 1 5 LEU HA H 7.709 4.105 0.966 1.00 . A A . 5 LEU HA 1 1 5 1459 1 1 5 LEU HB2 H 9.671 4.545 -0.414 1.00 . A A . 5 LEU HB2 1 1 5 1460 1 1 5 LEU HB3 H 9.150 3.327 -1.557 1.00 . A A . 5 LEU HB3 1 1 5 1461 1 1 5 LEU HD11 H 6.940 5.942 -0.061 1.00 . A A . 5 LEU HD11 1 1 5 1462 1 1 5 LEU HD12 H 7.092 7.035 -1.433 1.00 . A A . 5 LEU HD12 1 1 5 1463 1 1 5 LEU HD13 H 8.464 6.782 -0.355 1.00 . A A . 5 LEU HD13 1 1 5 1464 1 1 5 LEU HD21 H 8.445 6.419 -3.374 1.00 . A A . 5 LEU HD21 1 1 5 1465 1 1 5 LEU HD22 H 9.215 4.835 -3.471 1.00 . A A . 5 LEU HD22 1 1 5 1466 1 1 5 LEU HD23 H 9.871 6.071 -2.396 1.00 . A A . 5 LEU HD23 1 1 5 1467 1 1 5 LEU HG H 7.199 4.712 -2.140 1.00 . A A . 5 LEU HG 1 1 5 1468 1 1 5 LEU N N 8.793 2.347 0.842 1.00 . A A . 5 LEU N 1 1 5 1469 1 1 5 LEU O O 5.615 3.251 -0.201 1.00 . A A . 5 LEU O 1 1 5 1470 1 1 6 LYS C C 5.035 0.244 -0.752 1.00 . A A . 6 LYS C 1 1 5 1471 1 1 6 LYS CA C 5.866 0.997 -1.774 1.00 . A A . 6 LYS CA 1 1 5 1472 1 1 6 LYS CB C 6.433 0.062 -2.847 1.00 . A A . 6 LYS CB 1 1 5 1473 1 1 6 LYS CD C 6.029 -1.409 -4.846 1.00 . A A . 6 LYS CD 1 1 5 1474 1 1 6 LYS CE C 6.995 -2.490 -4.381 1.00 . A A . 6 LYS CE 1 1 5 1475 1 1 6 LYS CG C 5.394 -0.656 -3.684 1.00 . A A . 6 LYS CG 1 1 5 1476 1 1 6 LYS H H 7.856 1.359 -1.238 1.00 . A A . 6 LYS H 1 1 5 1477 1 1 6 LYS HA H 5.236 1.732 -2.251 1.00 . A A . 6 LYS HA 1 1 5 1478 1 1 6 LYS HB2 H 7.061 0.637 -3.511 1.00 . A A . 6 LYS HB2 1 1 5 1479 1 1 6 LYS HB3 H 7.041 -0.679 -2.351 1.00 . A A . 6 LYS HB3 1 1 5 1480 1 1 6 LYS HD2 H 5.248 -1.871 -5.430 1.00 . A A . 6 LYS HD2 1 1 5 1481 1 1 6 LYS HD3 H 6.563 -0.701 -5.463 1.00 . A A . 6 LYS HD3 1 1 5 1482 1 1 6 LYS HE2 H 7.757 -2.043 -3.761 1.00 . A A . 6 LYS HE2 1 1 5 1483 1 1 6 LYS HE3 H 6.449 -3.227 -3.811 1.00 . A A . 6 LYS HE3 1 1 5 1484 1 1 6 LYS HG2 H 4.853 -1.349 -3.059 1.00 . A A . 6 LYS HG2 1 1 5 1485 1 1 6 LYS HG3 H 4.716 0.087 -4.076 1.00 . A A . 6 LYS HG3 1 1 5 1486 1 1 6 LYS HZ1 H 8.267 -3.929 -5.206 1.00 . A A . 6 LYS HZ1 1 1 5 1487 1 1 6 LYS HZ2 H 8.237 -2.483 -6.060 1.00 . A A . 6 LYS HZ2 1 1 5 1488 1 1 6 LYS HZ3 H 6.953 -3.540 -6.188 1.00 . A A . 6 LYS HZ3 1 1 5 1489 1 1 6 LYS N N 6.938 1.696 -1.119 1.00 . A A . 6 LYS N 1 1 5 1490 1 1 6 LYS NZ N 7.651 -3.154 -5.522 1.00 . A A . 6 LYS NZ 1 1 5 1491 1 1 6 LYS O O 3.847 0.098 -0.911 1.00 . A A . 6 LYS O 1 1 5 1492 1 1 7 ARG C C 4.113 0.107 2.201 1.00 . A A . 7 ARG C 1 1 5 1493 1 1 7 ARG CA C 4.972 -0.888 1.392 1.00 . A A . 7 ARG CA 1 1 5 1494 1 1 7 ARG CB C 5.980 -1.606 2.286 1.00 . A A . 7 ARG CB 1 1 5 1495 1 1 7 ARG CD C 6.476 -3.353 4.008 1.00 . A A . 7 ARG CD 1 1 5 1496 1 1 7 ARG CG C 5.385 -2.662 3.205 1.00 . A A . 7 ARG CG 1 1 5 1497 1 1 7 ARG CZ C 8.761 -4.216 3.517 1.00 . A A . 7 ARG CZ 1 1 5 1498 1 1 7 ARG H H 6.637 -0.033 0.398 1.00 . A A . 7 ARG H 1 1 5 1499 1 1 7 ARG HA H 4.317 -1.612 0.928 1.00 . A A . 7 ARG HA 1 1 5 1500 1 1 7 ARG HB2 H 6.717 -2.085 1.659 1.00 . A A . 7 ARG HB2 1 1 5 1501 1 1 7 ARG HB3 H 6.476 -0.867 2.897 1.00 . A A . 7 ARG HB3 1 1 5 1502 1 1 7 ARG HD2 H 6.930 -2.634 4.673 1.00 . A A . 7 ARG HD2 1 1 5 1503 1 1 7 ARG HD3 H 6.037 -4.152 4.586 1.00 . A A . 7 ARG HD3 1 1 5 1504 1 1 7 ARG HE H 7.264 -4.021 2.192 1.00 . A A . 7 ARG HE 1 1 5 1505 1 1 7 ARG HG2 H 4.690 -2.188 3.884 1.00 . A A . 7 ARG HG2 1 1 5 1506 1 1 7 ARG HG3 H 4.866 -3.397 2.608 1.00 . A A . 7 ARG HG3 1 1 5 1507 1 1 7 ARG HH11 H 8.409 -4.014 5.521 1.00 . A A . 7 ARG HH11 1 1 5 1508 1 1 7 ARG HH12 H 10.007 -4.468 5.119 1.00 . A A . 7 ARG HH12 1 1 5 1509 1 1 7 ARG HH21 H 9.423 -4.589 1.631 1.00 . A A . 7 ARG HH21 1 1 5 1510 1 1 7 ARG HH22 H 10.623 -4.754 2.842 1.00 . A A . 7 ARG HH22 1 1 5 1511 1 1 7 ARG N N 5.669 -0.178 0.328 1.00 . A A . 7 ARG N 1 1 5 1512 1 1 7 ARG NE N 7.521 -3.916 3.136 1.00 . A A . 7 ARG NE 1 1 5 1513 1 1 7 ARG NH1 N 9.081 -4.228 4.810 1.00 . A A . 7 ARG NH1 1 1 5 1514 1 1 7 ARG NH2 N 9.667 -4.550 2.606 1.00 . A A . 7 ARG NH2 1 1 5 1515 1 1 7 ARG O O 3.077 -0.254 2.765 1.00 . A A . 7 ARG O 1 1 5 1516 1 1 8 LEU C C 2.574 2.717 2.016 1.00 . A A . 8 LEU C 1 1 5 1517 1 1 8 LEU CA C 3.785 2.422 2.880 1.00 . A A . 8 LEU CA 1 1 5 1518 1 1 8 LEU CB C 4.641 3.694 3.020 1.00 . A A . 8 LEU CB 1 1 5 1519 1 1 8 LEU CD1 C 3.519 4.663 5.064 1.00 . A A . 8 LEU CD1 1 1 5 1520 1 1 8 LEU CD2 C 4.882 6.132 3.567 1.00 . A A . 8 LEU CD2 1 1 5 1521 1 1 8 LEU CG C 3.957 4.928 3.631 1.00 . A A . 8 LEU CG 1 1 5 1522 1 1 8 LEU H H 5.434 1.564 1.868 1.00 . A A . 8 LEU H 1 1 5 1523 1 1 8 LEU HA H 3.467 2.089 3.856 1.00 . A A . 8 LEU HA 1 1 5 1524 1 1 8 LEU HB2 H 5.504 3.457 3.623 1.00 . A A . 8 LEU HB2 1 1 5 1525 1 1 8 LEU HB3 H 4.990 3.962 2.033 1.00 . A A . 8 LEU HB3 1 1 5 1526 1 1 8 LEU HD11 H 3.048 5.548 5.464 1.00 . A A . 8 LEU HD11 1 1 5 1527 1 1 8 LEU HD12 H 4.381 4.412 5.665 1.00 . A A . 8 LEU HD12 1 1 5 1528 1 1 8 LEU HD13 H 2.815 3.843 5.082 1.00 . A A . 8 LEU HD13 1 1 5 1529 1 1 8 LEU HD21 H 5.128 6.343 2.536 1.00 . A A . 8 LEU HD21 1 1 5 1530 1 1 8 LEU HD22 H 5.787 5.923 4.118 1.00 . A A . 8 LEU HD22 1 1 5 1531 1 1 8 LEU HD23 H 4.387 6.990 3.999 1.00 . A A . 8 LEU HD23 1 1 5 1532 1 1 8 LEU HG H 3.072 5.152 3.055 1.00 . A A . 8 LEU HG 1 1 5 1533 1 1 8 LEU N N 4.554 1.355 2.251 1.00 . A A . 8 LEU N 1 1 5 1534 1 1 8 LEU O O 1.436 2.764 2.499 1.00 . A A . 8 LEU O 1 1 5 1535 1 1 9 GLY C C 0.822 1.986 -0.368 1.00 . A A . 9 GLY C 1 1 5 1536 1 1 9 GLY CA C 1.782 3.145 -0.227 1.00 . A A . 9 GLY CA 1 1 5 1537 1 1 9 GLY H H 3.760 2.810 0.412 1.00 . A A . 9 GLY H 1 1 5 1538 1 1 9 GLY HA2 H 1.234 4.012 0.106 1.00 . A A . 9 GLY HA2 1 1 5 1539 1 1 9 GLY HA3 H 2.226 3.358 -1.187 1.00 . A A . 9 GLY HA3 1 1 5 1540 1 1 9 GLY N N 2.831 2.872 0.726 1.00 . A A . 9 GLY N 1 1 5 1541 1 1 9 GLY O O -0.345 2.183 -0.658 1.00 . A A . 9 GLY O 1 1 5 1542 1 1 10 LYS C C -0.639 -0.353 0.787 1.00 . A A . 10 LYS C 1 1 5 1543 1 1 10 LYS CA C 0.543 -0.443 -0.174 1.00 . A A . 10 LYS CA 1 1 5 1544 1 1 10 LYS CB C 1.446 -1.636 0.181 1.00 . A A . 10 LYS CB 1 1 5 1545 1 1 10 LYS CD C 1.769 -4.083 0.570 1.00 . A A . 10 LYS CD 1 1 5 1546 1 1 10 LYS CE C 1.107 -5.439 0.753 1.00 . A A . 10 LYS CE 1 1 5 1547 1 1 10 LYS CG C 0.761 -2.991 0.239 1.00 . A A . 10 LYS CG 1 1 5 1548 1 1 10 LYS H H 2.295 0.709 -0.004 1.00 . A A . 10 LYS H 1 1 5 1549 1 1 10 LYS HA H 0.169 -0.579 -1.178 1.00 . A A . 10 LYS HA 1 1 5 1550 1 1 10 LYS HB2 H 2.236 -1.697 -0.553 1.00 . A A . 10 LYS HB2 1 1 5 1551 1 1 10 LYS HB3 H 1.894 -1.442 1.145 1.00 . A A . 10 LYS HB3 1 1 5 1552 1 1 10 LYS HD2 H 2.482 -4.156 -0.238 1.00 . A A . 10 LYS HD2 1 1 5 1553 1 1 10 LYS HD3 H 2.289 -3.818 1.479 1.00 . A A . 10 LYS HD3 1 1 5 1554 1 1 10 LYS HE2 H 1.865 -6.163 1.010 1.00 . A A . 10 LYS HE2 1 1 5 1555 1 1 10 LYS HE3 H 0.402 -5.363 1.568 1.00 . A A . 10 LYS HE3 1 1 5 1556 1 1 10 LYS HG2 H -0.005 -2.969 0.999 1.00 . A A . 10 LYS HG2 1 1 5 1557 1 1 10 LYS HG3 H 0.317 -3.202 -0.722 1.00 . A A . 10 LYS HG3 1 1 5 1558 1 1 10 LYS HZ1 H -0.009 -6.840 -0.294 1.00 . A A . 10 LYS HZ1 1 1 5 1559 1 1 10 LYS HZ2 H 1.046 -5.972 -1.273 1.00 . A A . 10 LYS HZ2 1 1 5 1560 1 1 10 LYS HZ3 H -0.380 -5.256 -0.708 1.00 . A A . 10 LYS HZ3 1 1 5 1561 1 1 10 LYS N N 1.327 0.785 -0.149 1.00 . A A . 10 LYS N 1 1 5 1562 1 1 10 LYS NZ N 0.400 -5.898 -0.462 1.00 . A A . 10 LYS NZ 1 1 5 1563 1 1 10 LYS O O -1.744 -0.706 0.430 1.00 . A A . 10 LYS O 1 1 5 1564 1 1 11 LYS C C -2.486 1.354 2.517 1.00 . A A . 11 LYS C 1 1 5 1565 1 1 11 LYS CA C -1.463 0.318 2.980 1.00 . A A . 11 LYS CA 1 1 5 1566 1 1 11 LYS CB C -0.865 0.743 4.306 1.00 . A A . 11 LYS CB 1 1 5 1567 1 1 11 LYS CD C 0.804 0.271 6.092 1.00 . A A . 11 LYS CD 1 1 5 1568 1 1 11 LYS CE C 1.932 -0.638 6.528 1.00 . A A . 11 LYS CE 1 1 5 1569 1 1 11 LYS CG C 0.200 -0.199 4.798 1.00 . A A . 11 LYS CG 1 1 5 1570 1 1 11 LYS H H 0.508 0.440 2.233 1.00 . A A . 11 LYS H 1 1 5 1571 1 1 11 LYS HA H -1.953 -0.637 3.103 1.00 . A A . 11 LYS HA 1 1 5 1572 1 1 11 LYS HB2 H -0.423 1.720 4.184 1.00 . A A . 11 LYS HB2 1 1 5 1573 1 1 11 LYS HB3 H -1.647 0.795 5.049 1.00 . A A . 11 LYS HB3 1 1 5 1574 1 1 11 LYS HD2 H 1.187 1.272 5.960 1.00 . A A . 11 LYS HD2 1 1 5 1575 1 1 11 LYS HD3 H 0.037 0.272 6.853 1.00 . A A . 11 LYS HD3 1 1 5 1576 1 1 11 LYS HE2 H 2.303 -0.259 7.466 1.00 . A A . 11 LYS HE2 1 1 5 1577 1 1 11 LYS HE3 H 1.554 -1.641 6.658 1.00 . A A . 11 LYS HE3 1 1 5 1578 1 1 11 LYS HG2 H -0.237 -1.175 4.951 1.00 . A A . 11 LYS HG2 1 1 5 1579 1 1 11 LYS HG3 H 0.976 -0.265 4.050 1.00 . A A . 11 LYS HG3 1 1 5 1580 1 1 11 LYS HZ1 H 3.456 0.303 5.470 1.00 . A A . 11 LYS HZ1 1 1 5 1581 1 1 11 LYS HZ2 H 2.746 -0.978 4.621 1.00 . A A . 11 LYS HZ2 1 1 5 1582 1 1 11 LYS HZ3 H 3.806 -1.279 5.894 1.00 . A A . 11 LYS HZ3 1 1 5 1583 1 1 11 LYS N N -0.403 0.165 1.988 1.00 . A A . 11 LYS N 1 1 5 1584 1 1 11 LYS NZ N 3.049 -0.649 5.562 1.00 . A A . 11 LYS NZ 1 1 5 1585 1 1 11 LYS O O -3.690 1.219 2.766 1.00 . A A . 11 LYS O 1 1 5 1586 1 1 12 ILE C C -3.735 2.835 0.206 1.00 . A A . 12 ILE C 1 1 5 1587 1 1 12 ILE CA C -2.853 3.426 1.299 1.00 . A A . 12 ILE CA 1 1 5 1588 1 1 12 ILE CB C -2.007 4.591 0.703 1.00 . A A . 12 ILE CB 1 1 5 1589 1 1 12 ILE CD1 C -0.119 6.245 1.258 1.00 . A A . 12 ILE CD1 1 1 5 1590 1 1 12 ILE CG1 C -1.027 5.137 1.759 1.00 . A A . 12 ILE CG1 1 1 5 1591 1 1 12 ILE CG2 C -2.915 5.707 0.175 1.00 . A A . 12 ILE CG2 1 1 5 1592 1 1 12 ILE H H -1.036 2.405 1.667 1.00 . A A . 12 ILE H 1 1 5 1593 1 1 12 ILE HA H -3.474 3.806 2.097 1.00 . A A . 12 ILE HA 1 1 5 1594 1 1 12 ILE HB H -1.441 4.198 -0.129 1.00 . A A . 12 ILE HB 1 1 5 1595 1 1 12 ILE HD11 H -0.721 7.088 0.951 1.00 . A A . 12 ILE HD11 1 1 5 1596 1 1 12 ILE HD12 H 0.454 5.894 0.413 1.00 . A A . 12 ILE HD12 1 1 5 1597 1 1 12 ILE HD13 H 0.550 6.550 2.049 1.00 . A A . 12 ILE HD13 1 1 5 1598 1 1 12 ILE HG12 H -1.588 5.526 2.595 1.00 . A A . 12 ILE HG12 1 1 5 1599 1 1 12 ILE HG13 H -0.403 4.326 2.105 1.00 . A A . 12 ILE HG13 1 1 5 1600 1 1 12 ILE HG21 H -3.555 5.313 -0.601 1.00 . A A . 12 ILE HG21 1 1 5 1601 1 1 12 ILE HG22 H -2.309 6.505 -0.229 1.00 . A A . 12 ILE HG22 1 1 5 1602 1 1 12 ILE HG23 H -3.522 6.090 0.982 1.00 . A A . 12 ILE HG23 1 1 5 1603 1 1 12 ILE N N -2.001 2.373 1.830 1.00 . A A . 12 ILE N 1 1 5 1604 1 1 12 ILE O O -4.949 2.969 0.230 1.00 . A A . 12 ILE O 1 1 5 1605 1 1 13 ARG C C -4.731 0.434 -1.385 1.00 . A A . 13 ARG C 1 1 5 1606 1 1 13 ARG CA C -3.756 1.502 -1.838 1.00 . A A . 13 ARG CA 1 1 5 1607 1 1 13 ARG CB C -2.722 0.909 -2.783 1.00 . A A . 13 ARG CB 1 1 5 1608 1 1 13 ARG CD C -0.765 1.315 -4.298 1.00 . A A . 13 ARG CD 1 1 5 1609 1 1 13 ARG CG C -1.857 1.948 -3.463 1.00 . A A . 13 ARG CG 1 1 5 1610 1 1 13 ARG CZ C -0.843 0.298 -6.569 1.00 . A A . 13 ARG CZ 1 1 5 1611 1 1 13 ARG H H -2.120 2.050 -0.620 1.00 . A A . 13 ARG H 1 1 5 1612 1 1 13 ARG HA H -4.304 2.266 -2.369 1.00 . A A . 13 ARG HA 1 1 5 1613 1 1 13 ARG HB2 H -2.080 0.243 -2.224 1.00 . A A . 13 ARG HB2 1 1 5 1614 1 1 13 ARG HB3 H -3.235 0.343 -3.545 1.00 . A A . 13 ARG HB3 1 1 5 1615 1 1 13 ARG HD2 H -0.206 2.100 -4.788 1.00 . A A . 13 ARG HD2 1 1 5 1616 1 1 13 ARG HD3 H -0.107 0.763 -3.644 1.00 . A A . 13 ARG HD3 1 1 5 1617 1 1 13 ARG HE H -2.019 -0.187 -5.011 1.00 . A A . 13 ARG HE 1 1 5 1618 1 1 13 ARG HG2 H -2.477 2.553 -4.105 1.00 . A A . 13 ARG HG2 1 1 5 1619 1 1 13 ARG HG3 H -1.406 2.572 -2.704 1.00 . A A . 13 ARG HG3 1 1 5 1620 1 1 13 ARG HH11 H 0.544 1.816 -6.449 1.00 . A A . 13 ARG HH11 1 1 5 1621 1 1 13 ARG HH12 H 0.466 1.057 -7.957 1.00 . A A . 13 ARG HH12 1 1 5 1622 1 1 13 ARG HH21 H -2.071 -1.252 -7.046 1.00 . A A . 13 ARG HH21 1 1 5 1623 1 1 13 ARG HH22 H -1.065 -0.740 -8.323 1.00 . A A . 13 ARG HH22 1 1 5 1624 1 1 13 ARG N N -3.097 2.136 -0.710 1.00 . A A . 13 ARG N 1 1 5 1625 1 1 13 ARG NE N -1.293 0.405 -5.318 1.00 . A A . 13 ARG NE 1 1 5 1626 1 1 13 ARG NH1 N 0.119 1.109 -7.017 1.00 . A A . 13 ARG NH1 1 1 5 1627 1 1 13 ARG NH2 N -1.355 -0.626 -7.370 1.00 . A A . 13 ARG NH2 1 1 5 1628 1 1 13 ARG O O -5.823 0.306 -1.951 1.00 . A A . 13 ARG O 1 1 5 1629 1 1 14 LEU C C -6.453 -0.746 0.733 1.00 . A A . 14 LEU C 1 1 5 1630 1 1 14 LEU CA C -5.172 -1.358 0.201 1.00 . A A . 14 LEU CA 1 1 5 1631 1 1 14 LEU CB C -4.426 -2.092 1.327 1.00 . A A . 14 LEU CB 1 1 5 1632 1 1 14 LEU CD1 C -5.448 -4.376 1.019 1.00 . A A . 14 LEU CD1 1 1 5 1633 1 1 14 LEU CD2 C -4.374 -3.765 3.195 1.00 . A A . 14 LEU CD2 1 1 5 1634 1 1 14 LEU CG C -5.168 -3.249 2.007 1.00 . A A . 14 LEU CG 1 1 5 1635 1 1 14 LEU H H -3.433 -0.191 -0.006 1.00 . A A . 14 LEU H 1 1 5 1636 1 1 14 LEU HA H -5.414 -2.063 -0.580 1.00 . A A . 14 LEU HA 1 1 5 1637 1 1 14 LEU HB2 H -3.504 -2.479 0.919 1.00 . A A . 14 LEU HB2 1 1 5 1638 1 1 14 LEU HB3 H -4.176 -1.363 2.086 1.00 . A A . 14 LEU HB3 1 1 5 1639 1 1 14 LEU HD11 H -5.957 -5.181 1.527 1.00 . A A . 14 LEU HD11 1 1 5 1640 1 1 14 LEU HD12 H -4.516 -4.738 0.614 1.00 . A A . 14 LEU HD12 1 1 5 1641 1 1 14 LEU HD13 H -6.071 -4.007 0.217 1.00 . A A . 14 LEU HD13 1 1 5 1642 1 1 14 LEU HD21 H -4.915 -4.577 3.660 1.00 . A A . 14 LEU HD21 1 1 5 1643 1 1 14 LEU HD22 H -4.237 -2.967 3.911 1.00 . A A . 14 LEU HD22 1 1 5 1644 1 1 14 LEU HD23 H -3.411 -4.119 2.860 1.00 . A A . 14 LEU HD23 1 1 5 1645 1 1 14 LEU HG H -6.119 -2.884 2.368 1.00 . A A . 14 LEU HG 1 1 5 1646 1 1 14 LEU N N -4.338 -0.320 -0.372 1.00 . A A . 14 LEU N 1 1 5 1647 1 1 14 LEU O O -7.545 -1.146 0.335 1.00 . A A . 14 LEU O 1 1 5 1648 1 1 15 ALA C C -8.302 1.597 1.089 1.00 . A A . 15 ALA C 1 1 5 1649 1 1 15 ALA CA C -7.457 0.940 2.166 1.00 . A A . 15 ALA CA 1 1 5 1650 1 1 15 ALA CB C -7.019 1.958 3.203 1.00 . A A . 15 ALA CB 1 1 5 1651 1 1 15 ALA H H -5.408 0.569 1.822 1.00 . A A . 15 ALA H 1 1 5 1652 1 1 15 ALA HA H -8.058 0.188 2.654 1.00 . A A . 15 ALA HA 1 1 5 1653 1 1 15 ALA HB1 H -6.422 1.469 3.959 1.00 . A A . 15 ALA HB1 1 1 5 1654 1 1 15 ALA HB2 H -7.889 2.405 3.661 1.00 . A A . 15 ALA HB2 1 1 5 1655 1 1 15 ALA HB3 H -6.431 2.724 2.722 1.00 . A A . 15 ALA HB3 1 1 5 1656 1 1 15 ALA N N -6.312 0.266 1.581 1.00 . A A . 15 ALA N 1 1 5 1657 1 1 15 ALA O O -9.516 1.449 1.080 1.00 . A A . 15 ALA O 1 1 5 1658 1 1 16 ALA C C -9.131 2.008 -1.821 1.00 . A A . 16 ALA C 1 1 5 1659 1 1 16 ALA CA C -8.307 2.955 -0.958 1.00 . A A . 16 ALA CA 1 1 5 1660 1 1 16 ALA CB C -7.290 3.678 -1.823 1.00 . A A . 16 ALA CB 1 1 5 1661 1 1 16 ALA H H -6.660 2.299 0.196 1.00 . A A . 16 ALA H 1 1 5 1662 1 1 16 ALA HA H -8.965 3.696 -0.530 1.00 . A A . 16 ALA HA 1 1 5 1663 1 1 16 ALA HB1 H -6.696 4.335 -1.205 1.00 . A A . 16 ALA HB1 1 1 5 1664 1 1 16 ALA HB2 H -7.803 4.255 -2.577 1.00 . A A . 16 ALA HB2 1 1 5 1665 1 1 16 ALA HB3 H -6.647 2.954 -2.300 1.00 . A A . 16 ALA HB3 1 1 5 1666 1 1 16 ALA N N -7.642 2.260 0.143 1.00 . A A . 16 ALA N 1 1 5 1667 1 1 16 ALA O O -10.114 2.417 -2.441 1.00 . A A . 16 ALA O 1 1 5 1668 1 1 17 ALA C C -10.741 -0.657 -1.985 1.00 . A A . 17 ALA C 1 1 5 1669 1 1 17 ALA CA C -9.437 -0.241 -2.646 1.00 . A A . 17 ALA CA 1 1 5 1670 1 1 17 ALA CB C -8.552 -1.441 -2.868 1.00 . A A . 17 ALA CB 1 1 5 1671 1 1 17 ALA H H -7.960 0.482 -1.329 1.00 . A A . 17 ALA H 1 1 5 1672 1 1 17 ALA HA H -9.661 0.197 -3.607 1.00 . A A . 17 ALA HA 1 1 5 1673 1 1 17 ALA HB1 H -7.642 -1.130 -3.357 1.00 . A A . 17 ALA HB1 1 1 5 1674 1 1 17 ALA HB2 H -9.067 -2.166 -3.480 1.00 . A A . 17 ALA HB2 1 1 5 1675 1 1 17 ALA HB3 H -8.310 -1.880 -1.911 1.00 . A A . 17 ALA HB3 1 1 5 1676 1 1 17 ALA N N -8.744 0.754 -1.856 1.00 . A A . 17 ALA N 1 1 5 1677 1 1 17 ALA O O -11.653 -1.141 -2.649 1.00 . A A . 17 ALA O 1 1 5 1678 1 1 18 PHE C C -12.979 0.374 0.009 1.00 . A A . 18 PHE C 1 1 5 1679 1 1 18 PHE CA C -11.992 -0.794 0.057 1.00 . A A . 18 PHE CA 1 1 5 1680 1 1 18 PHE CB C -11.618 -1.124 1.490 1.00 . A A . 18 PHE CB 1 1 5 1681 1 1 18 PHE CD1 C -11.801 -3.612 1.747 1.00 . A A . 18 PHE CD1 1 1 5 1682 1 1 18 PHE CD2 C -9.638 -2.642 1.816 1.00 . A A . 18 PHE CD2 1 1 5 1683 1 1 18 PHE CE1 C -11.250 -4.863 1.936 1.00 . A A . 18 PHE CE1 1 1 5 1684 1 1 18 PHE CE2 C -9.078 -3.891 2.003 1.00 . A A . 18 PHE CE2 1 1 5 1685 1 1 18 PHE CG C -11.003 -2.488 1.683 1.00 . A A . 18 PHE CG 1 1 5 1686 1 1 18 PHE CZ C -9.887 -5.002 2.064 1.00 . A A . 18 PHE CZ 1 1 5 1687 1 1 18 PHE H H -10.076 -0.180 -0.120 1.00 . A A . 18 PHE H 1 1 5 1688 1 1 18 PHE HA H -12.454 -1.667 -0.381 1.00 . A A . 18 PHE HA 1 1 5 1689 1 1 18 PHE HB2 H -10.895 -0.392 1.818 1.00 . A A . 18 PHE HB2 1 1 5 1690 1 1 18 PHE HB3 H -12.496 -1.033 2.096 1.00 . A A . 18 PHE HB3 1 1 5 1691 1 1 18 PHE HD1 H -12.872 -3.508 1.644 1.00 . A A . 18 PHE HD1 1 1 5 1692 1 1 18 PHE HD2 H -8.996 -1.773 1.767 1.00 . A A . 18 PHE HD2 1 1 5 1693 1 1 18 PHE HE1 H -11.886 -5.734 1.986 1.00 . A A . 18 PHE HE1 1 1 5 1694 1 1 18 PHE HE2 H -8.008 -3.995 2.105 1.00 . A A . 18 PHE HE2 1 1 5 1695 1 1 18 PHE HZ H -9.456 -5.983 2.212 1.00 . A A . 18 PHE HZ 1 1 5 1696 1 1 18 PHE N N -10.815 -0.502 -0.679 1.00 . A A . 18 PHE N 1 1 5 1697 1 1 18 PHE O O -14.170 0.205 0.281 1.00 . A A . 18 PHE O 1 1 5 1698 1 1 19 LYS C C -13.977 2.842 -1.735 1.00 . A A . 19 LYS C 1 1 5 1699 1 1 19 LYS CA C -13.300 2.742 -0.372 1.00 . A A . 19 LYS CA 1 1 5 1700 1 1 19 LYS CB C -12.455 4.006 -0.114 1.00 . A A . 19 LYS CB 1 1 5 1701 1 1 19 LYS CD C -12.014 3.396 2.330 1.00 . A A . 19 LYS CD 1 1 5 1702 1 1 19 LYS CE C -12.938 4.407 2.965 1.00 . A A . 19 LYS CE 1 1 5 1703 1 1 19 LYS CG C -11.423 3.880 1.011 1.00 . A A . 19 LYS CG 1 1 5 1704 1 1 19 LYS H H -11.528 1.629 -0.546 1.00 . A A . 19 LYS H 1 1 5 1705 1 1 19 LYS HA H -14.058 2.658 0.392 1.00 . A A . 19 LYS HA 1 1 5 1706 1 1 19 LYS HB2 H -11.927 4.253 -1.022 1.00 . A A . 19 LYS HB2 1 1 5 1707 1 1 19 LYS HB3 H -13.124 4.816 0.127 1.00 . A A . 19 LYS HB3 1 1 5 1708 1 1 19 LYS HD2 H -12.573 2.491 2.141 1.00 . A A . 19 LYS HD2 1 1 5 1709 1 1 19 LYS HD3 H -11.201 3.172 3.003 1.00 . A A . 19 LYS HD3 1 1 5 1710 1 1 19 LYS HE2 H -12.377 5.305 3.175 1.00 . A A . 19 LYS HE2 1 1 5 1711 1 1 19 LYS HE3 H -13.740 4.632 2.277 1.00 . A A . 19 LYS HE3 1 1 5 1712 1 1 19 LYS HG2 H -10.669 3.170 0.704 1.00 . A A . 19 LYS HG2 1 1 5 1713 1 1 19 LYS HG3 H -10.961 4.844 1.162 1.00 . A A . 19 LYS HG3 1 1 5 1714 1 1 19 LYS HZ1 H -14.039 3.019 4.033 1.00 . A A . 19 LYS HZ1 1 1 5 1715 1 1 19 LYS HZ2 H -14.171 4.586 4.625 1.00 . A A . 19 LYS HZ2 1 1 5 1716 1 1 19 LYS HZ3 H -12.767 3.699 4.924 1.00 . A A . 19 LYS HZ3 1 1 5 1717 1 1 19 LYS N N -12.478 1.552 -0.329 1.00 . A A . 19 LYS N 1 1 5 1718 1 1 19 LYS NZ N -13.509 3.894 4.222 1.00 . A A . 19 LYS NZ 1 1 5 1719 1 1 19 LYS O O -13.416 3.495 -2.658 1.00 . A A . 19 LYS O 1 1 5 1720 1 1 19 LYS OXT O -15.051 2.250 -1.917 1.00 . A A . 19 LYS OXT 1 1 6 1721 1 1 1 PRO C C 12.369 3.740 -0.461 1.00 . A A . 1 PRO C 1 1 6 1722 1 1 1 PRO CA C 13.574 4.302 0.260 1.00 . A A . 1 PRO CA 1 1 6 1723 1 1 1 PRO CB C 13.574 3.884 1.723 1.00 . A A . 1 PRO CB 1 1 6 1724 1 1 1 PRO CD C 12.978 6.226 1.495 1.00 . A A . 1 PRO CD 1 1 6 1725 1 1 1 PRO CG C 13.477 5.182 2.480 1.00 . A A . 1 PRO CG 1 1 6 1726 1 1 1 PRO H2 H 14.229 6.219 0.767 1.00 . A A . 1 PRO H2 1 1 6 1727 1 1 1 PRO H3 H 12.572 6.150 0.230 1.00 . A A . 1 PRO H3 1 1 6 1728 1 1 1 PRO HA H 14.477 3.957 -0.219 1.00 . A A . 1 PRO HA 1 1 6 1729 1 1 1 PRO HB2 H 12.727 3.242 1.913 1.00 . A A . 1 PRO HB2 1 1 6 1730 1 1 1 PRO HB3 H 14.491 3.363 1.957 1.00 . A A . 1 PRO HB3 1 1 6 1731 1 1 1 PRO HD2 H 11.897 6.242 1.571 1.00 . A A . 1 PRO HD2 1 1 6 1732 1 1 1 PRO HD3 H 13.361 7.203 1.758 1.00 . A A . 1 PRO HD3 1 1 6 1733 1 1 1 PRO HG2 H 12.779 5.073 3.297 1.00 . A A . 1 PRO HG2 1 1 6 1734 1 1 1 PRO HG3 H 14.446 5.462 2.861 1.00 . A A . 1 PRO HG3 1 1 6 1735 1 1 1 PRO N N 13.518 5.736 0.185 1.00 . A A . 1 PRO N 1 1 6 1736 1 1 1 PRO O O 11.258 3.756 0.078 1.00 . A A . 1 PRO O 1 1 6 1737 1 1 2 MET C C 10.731 1.625 -1.994 1.00 . A A . 2 MET C 1 1 6 1738 1 1 2 MET CA C 11.462 2.846 -2.525 1.00 . A A . 2 MET CA 1 1 6 1739 1 1 2 MET CB C 11.907 2.629 -3.992 1.00 . A A . 2 MET CB 1 1 6 1740 1 1 2 MET CE C 15.194 2.773 -4.251 1.00 . A A . 2 MET CE 1 1 6 1741 1 1 2 MET CG C 12.775 1.390 -4.258 1.00 . A A . 2 MET CG 1 1 6 1742 1 1 2 MET H H 13.493 3.122 -1.990 1.00 . A A . 2 MET H 1 1 6 1743 1 1 2 MET HA H 10.760 3.668 -2.506 1.00 . A A . 2 MET HA 1 1 6 1744 1 1 2 MET HB2 H 11.016 2.539 -4.597 1.00 . A A . 2 MET HB2 1 1 6 1745 1 1 2 MET HB3 H 12.451 3.503 -4.317 1.00 . A A . 2 MET HB3 1 1 6 1746 1 1 2 MET HE1 H 15.243 2.572 -5.310 1.00 . A A . 2 MET HE1 1 1 6 1747 1 1 2 MET HE2 H 16.196 2.885 -3.863 1.00 . A A . 2 MET HE2 1 1 6 1748 1 1 2 MET HE3 H 14.638 3.683 -4.080 1.00 . A A . 2 MET HE3 1 1 6 1749 1 1 2 MET HG2 H 12.233 0.519 -3.922 1.00 . A A . 2 MET HG2 1 1 6 1750 1 1 2 MET HG3 H 12.941 1.310 -5.323 1.00 . A A . 2 MET HG3 1 1 6 1751 1 1 2 MET N N 12.573 3.244 -1.664 1.00 . A A . 2 MET N 1 1 6 1752 1 1 2 MET O O 9.514 1.550 -2.071 1.00 . A A . 2 MET O 1 1 6 1753 1 1 2 MET SD S 14.378 1.404 -3.418 1.00 . A A . 2 MET SD 1 1 6 1754 1 1 3 LYS C C 10.002 -0.270 0.302 1.00 . A A . 3 LYS C 1 1 6 1755 1 1 3 LYS CA C 10.894 -0.531 -0.900 1.00 . A A . 3 LYS CA 1 1 6 1756 1 1 3 LYS CB C 12.009 -1.497 -0.551 1.00 . A A . 3 LYS CB 1 1 6 1757 1 1 3 LYS CD C 14.133 -2.577 -1.302 1.00 . A A . 3 LYS CD 1 1 6 1758 1 1 3 LYS CE C 15.044 -2.840 -2.482 1.00 . A A . 3 LYS CE 1 1 6 1759 1 1 3 LYS CG C 12.928 -1.777 -1.719 1.00 . A A . 3 LYS CG 1 1 6 1760 1 1 3 LYS H H 12.433 0.859 -1.286 1.00 . A A . 3 LYS H 1 1 6 1761 1 1 3 LYS HA H 10.296 -0.959 -1.691 1.00 . A A . 3 LYS HA 1 1 6 1762 1 1 3 LYS HB2 H 12.587 -1.096 0.268 1.00 . A A . 3 LYS HB2 1 1 6 1763 1 1 3 LYS HB3 H 11.567 -2.432 -0.242 1.00 . A A . 3 LYS HB3 1 1 6 1764 1 1 3 LYS HD2 H 14.678 -2.027 -0.550 1.00 . A A . 3 LYS HD2 1 1 6 1765 1 1 3 LYS HD3 H 13.803 -3.521 -0.893 1.00 . A A . 3 LYS HD3 1 1 6 1766 1 1 3 LYS HE2 H 15.897 -3.388 -2.116 1.00 . A A . 3 LYS HE2 1 1 6 1767 1 1 3 LYS HE3 H 14.514 -3.434 -3.212 1.00 . A A . 3 LYS HE3 1 1 6 1768 1 1 3 LYS HG2 H 12.386 -2.333 -2.467 1.00 . A A . 3 LYS HG2 1 1 6 1769 1 1 3 LYS HG3 H 13.256 -0.837 -2.138 1.00 . A A . 3 LYS HG3 1 1 6 1770 1 1 3 LYS HZ1 H 16.056 -1.003 -2.443 1.00 . A A . 3 LYS HZ1 1 1 6 1771 1 1 3 LYS HZ2 H 14.748 -1.023 -3.512 1.00 . A A . 3 LYS HZ2 1 1 6 1772 1 1 3 LYS HZ3 H 16.167 -1.806 -3.914 1.00 . A A . 3 LYS HZ3 1 1 6 1773 1 1 3 LYS N N 11.466 0.709 -1.397 1.00 . A A . 3 LYS N 1 1 6 1774 1 1 3 LYS NZ N 15.530 -1.587 -3.121 1.00 . A A . 3 LYS NZ 1 1 6 1775 1 1 3 LYS O O 8.949 -0.896 0.466 1.00 . A A . 3 LYS O 1 1 6 1776 1 1 4 LEU C C 8.393 1.855 1.870 1.00 . A A . 4 LEU C 1 1 6 1777 1 1 4 LEU CA C 9.613 1.051 2.284 1.00 . A A . 4 LEU CA 1 1 6 1778 1 1 4 LEU CB C 10.466 1.809 3.299 1.00 . A A . 4 LEU CB 1 1 6 1779 1 1 4 LEU CD1 C 12.465 1.903 4.805 1.00 . A A . 4 LEU CD1 1 1 6 1780 1 1 4 LEU CD2 C 11.259 -0.259 4.516 1.00 . A A . 4 LEU CD2 1 1 6 1781 1 1 4 LEU CG C 11.684 1.044 3.841 1.00 . A A . 4 LEU CG 1 1 6 1782 1 1 4 LEU H H 11.229 1.163 0.918 1.00 . A A . 4 LEU H 1 1 6 1783 1 1 4 LEU HA H 9.264 0.131 2.729 1.00 . A A . 4 LEU HA 1 1 6 1784 1 1 4 LEU HB2 H 10.811 2.721 2.834 1.00 . A A . 4 LEU HB2 1 1 6 1785 1 1 4 LEU HB3 H 9.836 2.072 4.137 1.00 . A A . 4 LEU HB3 1 1 6 1786 1 1 4 LEU HD11 H 11.830 2.168 5.637 1.00 . A A . 4 LEU HD11 1 1 6 1787 1 1 4 LEU HD12 H 12.796 2.799 4.303 1.00 . A A . 4 LEU HD12 1 1 6 1788 1 1 4 LEU HD13 H 13.322 1.353 5.167 1.00 . A A . 4 LEU HD13 1 1 6 1789 1 1 4 LEU HD21 H 10.772 -0.900 3.798 1.00 . A A . 4 LEU HD21 1 1 6 1790 1 1 4 LEU HD22 H 10.576 -0.040 5.324 1.00 . A A . 4 LEU HD22 1 1 6 1791 1 1 4 LEU HD23 H 12.132 -0.758 4.910 1.00 . A A . 4 LEU HD23 1 1 6 1792 1 1 4 LEU HG H 12.334 0.800 3.015 1.00 . A A . 4 LEU HG 1 1 6 1793 1 1 4 LEU N N 10.393 0.691 1.114 1.00 . A A . 4 LEU N 1 1 6 1794 1 1 4 LEU O O 7.340 1.796 2.513 1.00 . A A . 4 LEU O 1 1 6 1795 1 1 5 LEU C C 6.427 2.325 -0.433 1.00 . A A . 5 LEU C 1 1 6 1796 1 1 5 LEU CA C 7.392 3.300 0.215 1.00 . A A . 5 LEU CA 1 1 6 1797 1 1 5 LEU CB C 7.828 4.375 -0.779 1.00 . A A . 5 LEU CB 1 1 6 1798 1 1 5 LEU CD1 C 9.021 6.497 -1.307 1.00 . A A . 5 LEU CD1 1 1 6 1799 1 1 5 LEU CD2 C 7.919 6.244 0.911 1.00 . A A . 5 LEU CD2 1 1 6 1800 1 1 5 LEU CG C 8.664 5.526 -0.210 1.00 . A A . 5 LEU CG 1 1 6 1801 1 1 5 LEU H H 9.394 2.652 0.328 1.00 . A A . 5 LEU H 1 1 6 1802 1 1 5 LEU HA H 6.879 3.767 1.043 1.00 . A A . 5 LEU HA 1 1 6 1803 1 1 5 LEU HB2 H 8.404 3.894 -1.556 1.00 . A A . 5 LEU HB2 1 1 6 1804 1 1 5 LEU HB3 H 6.940 4.796 -1.227 1.00 . A A . 5 LEU HB3 1 1 6 1805 1 1 5 LEU HD11 H 8.118 6.904 -1.735 1.00 . A A . 5 LEU HD11 1 1 6 1806 1 1 5 LEU HD12 H 9.576 5.976 -2.072 1.00 . A A . 5 LEU HD12 1 1 6 1807 1 1 5 LEU HD13 H 9.623 7.297 -0.904 1.00 . A A . 5 LEU HD13 1 1 6 1808 1 1 5 LEU HD21 H 7.732 5.558 1.724 1.00 . A A . 5 LEU HD21 1 1 6 1809 1 1 5 LEU HD22 H 6.980 6.619 0.536 1.00 . A A . 5 LEU HD22 1 1 6 1810 1 1 5 LEU HD23 H 8.519 7.069 1.268 1.00 . A A . 5 LEU HD23 1 1 6 1811 1 1 5 LEU HG H 9.584 5.126 0.192 1.00 . A A . 5 LEU HG 1 1 6 1812 1 1 5 LEU N N 8.519 2.580 0.769 1.00 . A A . 5 LEU N 1 1 6 1813 1 1 5 LEU O O 5.242 2.584 -0.512 1.00 . A A . 5 LEU O 1 1 6 1814 1 1 6 LYS C C 5.284 -0.509 -0.317 1.00 . A A . 6 LYS C 1 1 6 1815 1 1 6 LYS CA C 6.097 0.137 -1.415 1.00 . A A . 6 LYS CA 1 1 6 1816 1 1 6 LYS CB C 6.894 -0.908 -2.203 1.00 . A A . 6 LYS CB 1 1 6 1817 1 1 6 LYS CD C 6.361 0.052 -4.459 1.00 . A A . 6 LYS CD 1 1 6 1818 1 1 6 LYS CE C 6.920 0.572 -5.764 1.00 . A A . 6 LYS CE 1 1 6 1819 1 1 6 LYS CG C 7.466 -0.396 -3.515 1.00 . A A . 6 LYS CG 1 1 6 1820 1 1 6 LYS H H 7.916 1.071 -0.886 1.00 . A A . 6 LYS H 1 1 6 1821 1 1 6 LYS HA H 5.395 0.616 -2.080 1.00 . A A . 6 LYS HA 1 1 6 1822 1 1 6 LYS HB2 H 7.714 -1.250 -1.589 1.00 . A A . 6 LYS HB2 1 1 6 1823 1 1 6 LYS HB3 H 6.247 -1.745 -2.419 1.00 . A A . 6 LYS HB3 1 1 6 1824 1 1 6 LYS HD2 H 5.713 -0.787 -4.667 1.00 . A A . 6 LYS HD2 1 1 6 1825 1 1 6 LYS HD3 H 5.788 0.839 -3.993 1.00 . A A . 6 LYS HD3 1 1 6 1826 1 1 6 LYS HE2 H 7.552 1.423 -5.557 1.00 . A A . 6 LYS HE2 1 1 6 1827 1 1 6 LYS HE3 H 7.508 -0.207 -6.226 1.00 . A A . 6 LYS HE3 1 1 6 1828 1 1 6 LYS HG2 H 8.117 0.443 -3.312 1.00 . A A . 6 LYS HG2 1 1 6 1829 1 1 6 LYS HG3 H 8.030 -1.187 -3.984 1.00 . A A . 6 LYS HG3 1 1 6 1830 1 1 6 LYS HZ1 H 5.236 0.190 -6.961 1.00 . A A . 6 LYS HZ1 1 1 6 1831 1 1 6 LYS HZ2 H 6.264 1.390 -7.553 1.00 . A A . 6 LYS HZ2 1 1 6 1832 1 1 6 LYS HZ3 H 5.255 1.727 -6.268 1.00 . A A . 6 LYS HZ3 1 1 6 1833 1 1 6 LYS N N 6.942 1.188 -0.879 1.00 . A A . 6 LYS N 1 1 6 1834 1 1 6 LYS NZ N 5.849 0.984 -6.690 1.00 . A A . 6 LYS NZ 1 1 6 1835 1 1 6 LYS O O 4.196 -0.999 -0.569 1.00 . A A . 6 LYS O 1 1 6 1836 1 1 7 ARG C C 3.984 0.004 2.430 1.00 . A A . 7 ARG C 1 1 6 1837 1 1 7 ARG CA C 5.057 -0.998 2.042 1.00 . A A . 7 ARG CA 1 1 6 1838 1 1 7 ARG CB C 5.977 -1.309 3.228 1.00 . A A . 7 ARG CB 1 1 6 1839 1 1 7 ARG CD C 6.220 -3.760 2.663 1.00 . A A . 7 ARG CD 1 1 6 1840 1 1 7 ARG CG C 6.954 -2.453 2.975 1.00 . A A . 7 ARG CG 1 1 6 1841 1 1 7 ARG CZ C 4.374 -5.097 3.701 1.00 . A A . 7 ARG CZ 1 1 6 1842 1 1 7 ARG H H 6.706 -0.126 1.020 1.00 . A A . 7 ARG H 1 1 6 1843 1 1 7 ARG HA H 4.560 -1.901 1.723 1.00 . A A . 7 ARG HA 1 1 6 1844 1 1 7 ARG HB2 H 6.548 -0.423 3.462 1.00 . A A . 7 ARG HB2 1 1 6 1845 1 1 7 ARG HB3 H 5.365 -1.566 4.080 1.00 . A A . 7 ARG HB3 1 1 6 1846 1 1 7 ARG HD2 H 5.633 -3.633 1.768 1.00 . A A . 7 ARG HD2 1 1 6 1847 1 1 7 ARG HD3 H 6.954 -4.535 2.500 1.00 . A A . 7 ARG HD3 1 1 6 1848 1 1 7 ARG HE H 5.505 -3.708 4.618 1.00 . A A . 7 ARG HE 1 1 6 1849 1 1 7 ARG HG2 H 7.584 -2.195 2.136 1.00 . A A . 7 ARG HG2 1 1 6 1850 1 1 7 ARG HG3 H 7.564 -2.593 3.854 1.00 . A A . 7 ARG HG3 1 1 6 1851 1 1 7 ARG HH11 H 4.585 -5.521 1.701 1.00 . A A . 7 ARG HH11 1 1 6 1852 1 1 7 ARG HH12 H 3.372 -6.423 2.490 1.00 . A A . 7 ARG HH12 1 1 6 1853 1 1 7 ARG HH21 H 3.869 -4.901 5.658 1.00 . A A . 7 ARG HH21 1 1 6 1854 1 1 7 ARG HH22 H 2.949 -6.067 4.822 1.00 . A A . 7 ARG HH22 1 1 6 1855 1 1 7 ARG N N 5.803 -0.490 0.900 1.00 . A A . 7 ARG N 1 1 6 1856 1 1 7 ARG NE N 5.340 -4.168 3.762 1.00 . A A . 7 ARG NE 1 1 6 1857 1 1 7 ARG NH1 N 4.091 -5.723 2.551 1.00 . A A . 7 ARG NH1 1 1 6 1858 1 1 7 ARG NH2 N 3.681 -5.379 4.793 1.00 . A A . 7 ARG NH2 1 1 6 1859 1 1 7 ARG O O 2.861 -0.372 2.784 1.00 . A A . 7 ARG O 1 1 6 1860 1 1 8 LEU C C 2.279 2.293 1.526 1.00 . A A . 8 LEU C 1 1 6 1861 1 1 8 LEU CA C 3.394 2.364 2.558 1.00 . A A . 8 LEU CA 1 1 6 1862 1 1 8 LEU CB C 4.117 3.720 2.471 1.00 . A A . 8 LEU CB 1 1 6 1863 1 1 8 LEU CD1 C 2.500 5.036 3.894 1.00 . A A . 8 LEU CD1 1 1 6 1864 1 1 8 LEU CD2 C 4.074 6.229 2.361 1.00 . A A . 8 LEU CD2 1 1 6 1865 1 1 8 LEU CG C 3.238 4.978 2.569 1.00 . A A . 8 LEU CG 1 1 6 1866 1 1 8 LEU H H 5.260 1.488 2.092 1.00 . A A . 8 LEU H 1 1 6 1867 1 1 8 LEU HA H 2.972 2.245 3.544 1.00 . A A . 8 LEU HA 1 1 6 1868 1 1 8 LEU HB2 H 4.849 3.762 3.263 1.00 . A A . 8 LEU HB2 1 1 6 1869 1 1 8 LEU HB3 H 4.640 3.752 1.527 1.00 . A A . 8 LEU HB3 1 1 6 1870 1 1 8 LEU HD11 H 1.927 5.950 3.946 1.00 . A A . 8 LEU HD11 1 1 6 1871 1 1 8 LEU HD12 H 3.206 4.999 4.711 1.00 . A A . 8 LEU HD12 1 1 6 1872 1 1 8 LEU HD13 H 1.828 4.193 3.960 1.00 . A A . 8 LEU HD13 1 1 6 1873 1 1 8 LEU HD21 H 4.851 6.274 3.110 1.00 . A A . 8 LEU HD21 1 1 6 1874 1 1 8 LEU HD22 H 3.441 7.099 2.447 1.00 . A A . 8 LEU HD22 1 1 6 1875 1 1 8 LEU HD23 H 4.523 6.204 1.379 1.00 . A A . 8 LEU HD23 1 1 6 1876 1 1 8 LEU HG H 2.494 4.938 1.787 1.00 . A A . 8 LEU HG 1 1 6 1877 1 1 8 LEU N N 4.331 1.277 2.325 1.00 . A A . 8 LEU N 1 1 6 1878 1 1 8 LEU O O 1.100 2.235 1.875 1.00 . A A . 8 LEU O 1 1 6 1879 1 1 9 GLY C C 0.855 0.952 -0.708 1.00 . A A . 9 GLY C 1 1 6 1880 1 1 9 GLY CA C 1.742 2.159 -0.826 1.00 . A A . 9 GLY CA 1 1 6 1881 1 1 9 GLY H H 3.636 2.293 0.063 1.00 . A A . 9 GLY H 1 1 6 1882 1 1 9 GLY HA2 H 1.127 3.046 -0.833 1.00 . A A . 9 GLY HA2 1 1 6 1883 1 1 9 GLY HA3 H 2.294 2.099 -1.752 1.00 . A A . 9 GLY HA3 1 1 6 1884 1 1 9 GLY N N 2.675 2.245 0.265 1.00 . A A . 9 GLY N 1 1 6 1885 1 1 9 GLY O O -0.326 1.041 -0.937 1.00 . A A . 9 GLY O 1 1 6 1886 1 1 10 LYS C C -0.507 -1.248 0.788 1.00 . A A . 10 LYS C 1 1 6 1887 1 1 10 LYS CA C 0.745 -1.434 -0.084 1.00 . A A . 10 LYS CA 1 1 6 1888 1 1 10 LYS CB C 1.741 -2.447 0.555 1.00 . A A . 10 LYS CB 1 1 6 1889 1 1 10 LYS CD C 0.259 -4.123 1.842 1.00 . A A . 10 LYS CD 1 1 6 1890 1 1 10 LYS CE C 0.791 -3.718 3.218 1.00 . A A . 10 LYS CE 1 1 6 1891 1 1 10 LYS CG C 1.282 -3.907 0.724 1.00 . A A . 10 LYS CG 1 1 6 1892 1 1 10 LYS H H 2.400 -0.121 -0.084 1.00 . A A . 10 LYS H 1 1 6 1893 1 1 10 LYS HA H 0.447 -1.809 -1.051 1.00 . A A . 10 LYS HA 1 1 6 1894 1 1 10 LYS HB2 H 2.630 -2.465 -0.058 1.00 . A A . 10 LYS HB2 1 1 6 1895 1 1 10 LYS HB3 H 2.022 -2.065 1.525 1.00 . A A . 10 LYS HB3 1 1 6 1896 1 1 10 LYS HD2 H -0.620 -3.534 1.626 1.00 . A A . 10 LYS HD2 1 1 6 1897 1 1 10 LYS HD3 H -0.007 -5.167 1.860 1.00 . A A . 10 LYS HD3 1 1 6 1898 1 1 10 LYS HE2 H 1.735 -4.209 3.394 1.00 . A A . 10 LYS HE2 1 1 6 1899 1 1 10 LYS HE3 H 0.938 -2.648 3.232 1.00 . A A . 10 LYS HE3 1 1 6 1900 1 1 10 LYS HG2 H 0.837 -4.235 -0.204 1.00 . A A . 10 LYS HG2 1 1 6 1901 1 1 10 LYS HG3 H 2.153 -4.514 0.924 1.00 . A A . 10 LYS HG3 1 1 6 1902 1 1 10 LYS HZ1 H 0.176 -3.756 5.226 1.00 . A A . 10 LYS HZ1 1 1 6 1903 1 1 10 LYS HZ2 H -0.230 -5.118 4.355 1.00 . A A . 10 LYS HZ2 1 1 6 1904 1 1 10 LYS HZ3 H -1.118 -3.722 4.133 1.00 . A A . 10 LYS HZ3 1 1 6 1905 1 1 10 LYS N N 1.439 -0.160 -0.278 1.00 . A A . 10 LYS N 1 1 6 1906 1 1 10 LYS NZ N -0.157 -4.082 4.296 1.00 . A A . 10 LYS NZ 1 1 6 1907 1 1 10 LYS O O -1.602 -1.708 0.426 1.00 . A A . 10 LYS O 1 1 6 1908 1 1 11 LYS C C -2.440 0.675 2.315 1.00 . A A . 11 LYS C 1 1 6 1909 1 1 11 LYS CA C -1.474 -0.390 2.820 1.00 . A A . 11 LYS CA 1 1 6 1910 1 1 11 LYS CB C -1.015 -0.102 4.263 1.00 . A A . 11 LYS CB 1 1 6 1911 1 1 11 LYS CD C 0.126 1.373 5.915 1.00 . A A . 11 LYS CD 1 1 6 1912 1 1 11 LYS CE C 0.817 2.700 6.164 1.00 . A A . 11 LYS CE 1 1 6 1913 1 1 11 LYS CG C -0.270 1.205 4.467 1.00 . A A . 11 LYS CG 1 1 6 1914 1 1 11 LYS H H 0.515 -0.153 2.110 1.00 . A A . 11 LYS H 1 1 6 1915 1 1 11 LYS HA H -2.010 -1.329 2.810 1.00 . A A . 11 LYS HA 1 1 6 1916 1 1 11 LYS HB2 H -1.882 -0.087 4.904 1.00 . A A . 11 LYS HB2 1 1 6 1917 1 1 11 LYS HB3 H -0.371 -0.910 4.578 1.00 . A A . 11 LYS HB3 1 1 6 1918 1 1 11 LYS HD2 H -0.756 1.312 6.534 1.00 . A A . 11 LYS HD2 1 1 6 1919 1 1 11 LYS HD3 H 0.801 0.572 6.171 1.00 . A A . 11 LYS HD3 1 1 6 1920 1 1 11 LYS HE2 H 1.703 2.753 5.551 1.00 . A A . 11 LYS HE2 1 1 6 1921 1 1 11 LYS HE3 H 0.144 3.500 5.892 1.00 . A A . 11 LYS HE3 1 1 6 1922 1 1 11 LYS HG2 H 0.619 1.205 3.853 1.00 . A A . 11 LYS HG2 1 1 6 1923 1 1 11 LYS HG3 H -0.910 2.024 4.176 1.00 . A A . 11 LYS HG3 1 1 6 1924 1 1 11 LYS HZ1 H 1.714 3.750 7.732 1.00 . A A . 11 LYS HZ1 1 1 6 1925 1 1 11 LYS HZ2 H 1.820 2.074 7.882 1.00 . A A . 11 LYS HZ2 1 1 6 1926 1 1 11 LYS HZ3 H 0.362 2.843 8.190 1.00 . A A . 11 LYS HZ3 1 1 6 1927 1 1 11 LYS N N -0.356 -0.562 1.911 1.00 . A A . 11 LYS N 1 1 6 1928 1 1 11 LYS NZ N 1.205 2.857 7.582 1.00 . A A . 11 LYS NZ 1 1 6 1929 1 1 11 LYS O O -3.663 0.538 2.472 1.00 . A A . 11 LYS O 1 1 6 1930 1 1 12 ILE C C -3.585 2.227 -0.014 1.00 . A A . 12 ILE C 1 1 6 1931 1 1 12 ILE CA C -2.719 2.779 1.119 1.00 . A A . 12 ILE CA 1 1 6 1932 1 1 12 ILE CB C -1.858 3.982 0.620 1.00 . A A . 12 ILE CB 1 1 6 1933 1 1 12 ILE CD1 C -1.831 5.094 2.956 1.00 . A A . 12 ILE CD1 1 1 6 1934 1 1 12 ILE CG1 C -1.020 4.581 1.773 1.00 . A A . 12 ILE CG1 1 1 6 1935 1 1 12 ILE CG2 C -2.729 5.062 -0.020 1.00 . A A . 12 ILE CG2 1 1 6 1936 1 1 12 ILE H H -0.923 1.758 1.564 1.00 . A A . 12 ILE H 1 1 6 1937 1 1 12 ILE HA H -3.379 3.113 1.907 1.00 . A A . 12 ILE HA 1 1 6 1938 1 1 12 ILE HB H -1.184 3.610 -0.136 1.00 . A A . 12 ILE HB 1 1 6 1939 1 1 12 ILE HD11 H -2.384 4.280 3.399 1.00 . A A . 12 ILE HD11 1 1 6 1940 1 1 12 ILE HD12 H -2.520 5.853 2.616 1.00 . A A . 12 ILE HD12 1 1 6 1941 1 1 12 ILE HD13 H -1.163 5.520 3.691 1.00 . A A . 12 ILE HD13 1 1 6 1942 1 1 12 ILE HG12 H -0.348 3.823 2.148 1.00 . A A . 12 ILE HG12 1 1 6 1943 1 1 12 ILE HG13 H -0.436 5.404 1.387 1.00 . A A . 12 ILE HG13 1 1 6 1944 1 1 12 ILE HG21 H -3.441 5.426 0.706 1.00 . A A . 12 ILE HG21 1 1 6 1945 1 1 12 ILE HG22 H -3.257 4.645 -0.865 1.00 . A A . 12 ILE HG22 1 1 6 1946 1 1 12 ILE HG23 H -2.103 5.876 -0.350 1.00 . A A . 12 ILE HG23 1 1 6 1947 1 1 12 ILE N N -1.899 1.707 1.670 1.00 . A A . 12 ILE N 1 1 6 1948 1 1 12 ILE O O -4.755 2.564 -0.127 1.00 . A A . 12 ILE O 1 1 6 1949 1 1 13 ARG C C -4.945 -0.047 -1.361 1.00 . A A . 13 ARG C 1 1 6 1950 1 1 13 ARG CA C -3.701 0.640 -1.886 1.00 . A A . 13 ARG CA 1 1 6 1951 1 1 13 ARG CB C -2.789 -0.390 -2.565 1.00 . A A . 13 ARG CB 1 1 6 1952 1 1 13 ARG CD C -0.657 -0.830 -3.824 1.00 . A A . 13 ARG CD 1 1 6 1953 1 1 13 ARG CG C -1.718 0.204 -3.466 1.00 . A A . 13 ARG CG 1 1 6 1954 1 1 13 ARG CZ C -0.582 -3.202 -4.605 1.00 . A A . 13 ARG CZ 1 1 6 1955 1 1 13 ARG H H -2.040 1.163 -0.679 1.00 . A A . 13 ARG H 1 1 6 1956 1 1 13 ARG HA H -3.986 1.385 -2.613 1.00 . A A . 13 ARG HA 1 1 6 1957 1 1 13 ARG HB2 H -2.294 -0.965 -1.798 1.00 . A A . 13 ARG HB2 1 1 6 1958 1 1 13 ARG HB3 H -3.401 -1.055 -3.156 1.00 . A A . 13 ARG HB3 1 1 6 1959 1 1 13 ARG HD2 H 0.044 -0.381 -4.510 1.00 . A A . 13 ARG HD2 1 1 6 1960 1 1 13 ARG HD3 H -0.135 -1.116 -2.923 1.00 . A A . 13 ARG HD3 1 1 6 1961 1 1 13 ARG HE H -2.150 -1.924 -4.760 1.00 . A A . 13 ARG HE 1 1 6 1962 1 1 13 ARG HG2 H -2.179 0.562 -4.375 1.00 . A A . 13 ARG HG2 1 1 6 1963 1 1 13 ARG HG3 H -1.249 1.028 -2.949 1.00 . A A . 13 ARG HG3 1 1 6 1964 1 1 13 ARG HH11 H 1.209 -2.609 -3.770 1.00 . A A . 13 ARG HH11 1 1 6 1965 1 1 13 ARG HH12 H 1.190 -4.207 -4.321 1.00 . A A . 13 ARG HH12 1 1 6 1966 1 1 13 ARG HH21 H -2.167 -4.170 -5.476 1.00 . A A . 13 ARG HH21 1 1 6 1967 1 1 13 ARG HH22 H -0.775 -5.117 -5.313 1.00 . A A . 13 ARG HH22 1 1 6 1968 1 1 13 ARG N N -3.001 1.337 -0.811 1.00 . A A . 13 ARG N 1 1 6 1969 1 1 13 ARG NE N -1.225 -2.029 -4.445 1.00 . A A . 13 ARG NE 1 1 6 1970 1 1 13 ARG NH1 N 0.687 -3.346 -4.202 1.00 . A A . 13 ARG NH1 1 1 6 1971 1 1 13 ARG NH2 N -1.215 -4.227 -5.165 1.00 . A A . 13 ARG NH2 1 1 6 1972 1 1 13 ARG O O -6.010 0.079 -1.946 1.00 . A A . 13 ARG O 1 1 6 1973 1 1 14 LEU C C -6.957 -0.454 0.906 1.00 . A A . 14 LEU C 1 1 6 1974 1 1 14 LEU CA C -5.913 -1.439 0.387 1.00 . A A . 14 LEU CA 1 1 6 1975 1 1 14 LEU CB C -5.408 -2.331 1.534 1.00 . A A . 14 LEU CB 1 1 6 1976 1 1 14 LEU CD1 C -7.166 -4.131 1.356 1.00 . A A . 14 LEU CD1 1 1 6 1977 1 1 14 LEU CD2 C -5.861 -3.871 3.461 1.00 . A A . 14 LEU CD2 1 1 6 1978 1 1 14 LEU CG C -6.475 -3.145 2.284 1.00 . A A . 14 LEU CG 1 1 6 1979 1 1 14 LEU H H -3.920 -0.753 0.185 1.00 . A A . 14 LEU H 1 1 6 1980 1 1 14 LEU HA H -6.370 -2.063 -0.367 1.00 . A A . 14 LEU HA 1 1 6 1981 1 1 14 LEU HB2 H -4.682 -3.021 1.134 1.00 . A A . 14 LEU HB2 1 1 6 1982 1 1 14 LEU HB3 H -4.911 -1.695 2.252 1.00 . A A . 14 LEU HB3 1 1 6 1983 1 1 14 LEU HD11 H -6.435 -4.806 0.935 1.00 . A A . 14 LEU HD11 1 1 6 1984 1 1 14 LEU HD12 H -7.659 -3.591 0.562 1.00 . A A . 14 LEU HD12 1 1 6 1985 1 1 14 LEU HD13 H -7.898 -4.696 1.914 1.00 . A A . 14 LEU HD13 1 1 6 1986 1 1 14 LEU HD21 H -5.092 -4.544 3.110 1.00 . A A . 14 LEU HD21 1 1 6 1987 1 1 14 LEU HD22 H -6.628 -4.435 3.970 1.00 . A A . 14 LEU HD22 1 1 6 1988 1 1 14 LEU HD23 H -5.430 -3.155 4.145 1.00 . A A . 14 LEU HD23 1 1 6 1989 1 1 14 LEU HG H -7.228 -2.469 2.660 1.00 . A A . 14 LEU HG 1 1 6 1990 1 1 14 LEU N N -4.805 -0.728 -0.236 1.00 . A A . 14 LEU N 1 1 6 1991 1 1 14 LEU O O -8.153 -0.627 0.678 1.00 . A A . 14 LEU O 1 1 6 1992 1 1 15 ALA C C -8.142 2.367 1.073 1.00 . A A . 15 ALA C 1 1 6 1993 1 1 15 ALA CA C -7.361 1.611 2.152 1.00 . A A . 15 ALA CA 1 1 6 1994 1 1 15 ALA CB C -6.547 2.580 2.999 1.00 . A A . 15 ALA CB 1 1 6 1995 1 1 15 ALA H H -5.515 0.692 1.665 1.00 . A A . 15 ALA H 1 1 6 1996 1 1 15 ALA HA H -8.065 1.105 2.796 1.00 . A A . 15 ALA HA 1 1 6 1997 1 1 15 ALA HB1 H -5.848 3.108 2.366 1.00 . A A . 15 ALA HB1 1 1 6 1998 1 1 15 ALA HB2 H -6.003 2.031 3.754 1.00 . A A . 15 ALA HB2 1 1 6 1999 1 1 15 ALA HB3 H -7.208 3.288 3.475 1.00 . A A . 15 ALA HB3 1 1 6 2000 1 1 15 ALA N N -6.490 0.595 1.566 1.00 . A A . 15 ALA N 1 1 6 2001 1 1 15 ALA O O -9.336 2.664 1.238 1.00 . A A . 15 ALA O 1 1 6 2002 1 1 16 ALA C C -8.963 2.460 -1.966 1.00 . A A . 16 ALA C 1 1 6 2003 1 1 16 ALA CA C -8.059 3.371 -1.139 1.00 . A A . 16 ALA CA 1 1 6 2004 1 1 16 ALA CB C -6.962 3.978 -2.001 1.00 . A A . 16 ALA CB 1 1 6 2005 1 1 16 ALA H H -6.520 2.411 -0.075 1.00 . A A . 16 ALA H 1 1 6 2006 1 1 16 ALA HA H -8.660 4.175 -0.741 1.00 . A A . 16 ALA HA 1 1 6 2007 1 1 16 ALA HB1 H -6.375 3.188 -2.444 1.00 . A A . 16 ALA HB1 1 1 6 2008 1 1 16 ALA HB2 H -6.323 4.591 -1.382 1.00 . A A . 16 ALA HB2 1 1 6 2009 1 1 16 ALA HB3 H -7.394 4.589 -2.779 1.00 . A A . 16 ALA HB3 1 1 6 2010 1 1 16 ALA N N -7.472 2.659 -0.021 1.00 . A A . 16 ALA N 1 1 6 2011 1 1 16 ALA O O -9.888 2.924 -2.632 1.00 . A A . 16 ALA O 1 1 6 2012 1 1 17 ALA C C -10.753 -0.146 -1.835 1.00 . A A . 17 ALA C 1 1 6 2013 1 1 17 ALA CA C -9.508 0.190 -2.633 1.00 . A A . 17 ALA CA 1 1 6 2014 1 1 17 ALA CB C -8.715 -1.069 -2.923 1.00 . A A . 17 ALA CB 1 1 6 2015 1 1 17 ALA H H -7.910 0.860 -1.419 1.00 . A A . 17 ALA H 1 1 6 2016 1 1 17 ALA HA H -9.809 0.633 -3.570 1.00 . A A . 17 ALA HA 1 1 6 2017 1 1 17 ALA HB1 H -8.439 -1.544 -1.993 1.00 . A A . 17 ALA HB1 1 1 6 2018 1 1 17 ALA HB2 H -7.822 -0.809 -3.472 1.00 . A A . 17 ALA HB2 1 1 6 2019 1 1 17 ALA HB3 H -9.315 -1.746 -3.511 1.00 . A A . 17 ALA HB3 1 1 6 2020 1 1 17 ALA N N -8.695 1.169 -1.921 1.00 . A A . 17 ALA N 1 1 6 2021 1 1 17 ALA O O -11.752 -0.611 -2.382 1.00 . A A . 17 ALA O 1 1 6 2022 1 1 18 PHE C C -12.914 0.782 0.162 1.00 . A A . 18 PHE C 1 1 6 2023 1 1 18 PHE CA C -11.755 -0.197 0.381 1.00 . A A . 18 PHE CA 1 1 6 2024 1 1 18 PHE CB C -11.233 -0.112 1.827 1.00 . A A . 18 PHE CB 1 1 6 2025 1 1 18 PHE CD1 C -12.742 0.710 3.651 1.00 . A A . 18 PHE CD1 1 1 6 2026 1 1 18 PHE CD2 C -12.800 -1.595 3.075 1.00 . A A . 18 PHE CD2 1 1 6 2027 1 1 18 PHE CE1 C -13.711 0.501 4.605 1.00 . A A . 18 PHE CE1 1 1 6 2028 1 1 18 PHE CE2 C -13.768 -1.809 4.026 1.00 . A A . 18 PHE CE2 1 1 6 2029 1 1 18 PHE CG C -12.276 -0.338 2.876 1.00 . A A . 18 PHE CG 1 1 6 2030 1 1 18 PHE CZ C -14.224 -0.761 4.792 1.00 . A A . 18 PHE CZ 1 1 6 2031 1 1 18 PHE H H -9.814 0.390 -0.180 1.00 . A A . 18 PHE H 1 1 6 2032 1 1 18 PHE HA H -12.110 -1.201 0.205 1.00 . A A . 18 PHE HA 1 1 6 2033 1 1 18 PHE HB2 H -10.464 -0.858 1.965 1.00 . A A . 18 PHE HB2 1 1 6 2034 1 1 18 PHE HB3 H -10.804 0.866 1.983 1.00 . A A . 18 PHE HB3 1 1 6 2035 1 1 18 PHE HD1 H -12.342 1.703 3.507 1.00 . A A . 18 PHE HD1 1 1 6 2036 1 1 18 PHE HD2 H -12.444 -2.420 2.476 1.00 . A A . 18 PHE HD2 1 1 6 2037 1 1 18 PHE HE1 H -14.070 1.323 5.206 1.00 . A A . 18 PHE HE1 1 1 6 2038 1 1 18 PHE HE2 H -14.168 -2.801 4.169 1.00 . A A . 18 PHE HE2 1 1 6 2039 1 1 18 PHE HZ H -14.986 -0.928 5.538 1.00 . A A . 18 PHE HZ 1 1 6 2040 1 1 18 PHE N N -10.666 0.063 -0.539 1.00 . A A . 18 PHE N 1 1 6 2041 1 1 18 PHE O O -14.080 0.415 0.287 1.00 . A A . 18 PHE O 1 1 6 2042 1 1 19 LYS C C -14.310 2.817 -1.685 1.00 . A A . 19 LYS C 1 1 6 2043 1 1 19 LYS CA C -13.562 3.051 -0.374 1.00 . A A . 19 LYS CA 1 1 6 2044 1 1 19 LYS CB C -12.883 4.419 -0.372 1.00 . A A . 19 LYS CB 1 1 6 2045 1 1 19 LYS CD C -12.894 4.565 2.147 1.00 . A A . 19 LYS CD 1 1 6 2046 1 1 19 LYS CE C -13.894 5.708 2.281 1.00 . A A . 19 LYS CE 1 1 6 2047 1 1 19 LYS CG C -12.056 4.684 0.883 1.00 . A A . 19 LYS CG 1 1 6 2048 1 1 19 LYS H H -11.632 2.262 -0.180 1.00 . A A . 19 LYS H 1 1 6 2049 1 1 19 LYS HA H -14.279 3.020 0.432 1.00 . A A . 19 LYS HA 1 1 6 2050 1 1 19 LYS HB2 H -12.227 4.471 -1.228 1.00 . A A . 19 LYS HB2 1 1 6 2051 1 1 19 LYS HB3 H -13.637 5.188 -0.459 1.00 . A A . 19 LYS HB3 1 1 6 2052 1 1 19 LYS HD2 H -13.424 3.625 2.128 1.00 . A A . 19 LYS HD2 1 1 6 2053 1 1 19 LYS HD3 H -12.212 4.561 2.981 1.00 . A A . 19 LYS HD3 1 1 6 2054 1 1 19 LYS HE2 H -13.350 6.620 2.477 1.00 . A A . 19 LYS HE2 1 1 6 2055 1 1 19 LYS HE3 H -14.438 5.814 1.354 1.00 . A A . 19 LYS HE3 1 1 6 2056 1 1 19 LYS HG2 H -11.252 3.964 0.930 1.00 . A A . 19 LYS HG2 1 1 6 2057 1 1 19 LYS HG3 H -11.642 5.680 0.825 1.00 . A A . 19 LYS HG3 1 1 6 2058 1 1 19 LYS HZ1 H -14.373 5.352 4.296 1.00 . A A . 19 LYS HZ1 1 1 6 2059 1 1 19 LYS HZ2 H -15.450 4.657 3.187 1.00 . A A . 19 LYS HZ2 1 1 6 2060 1 1 19 LYS HZ3 H -15.490 6.301 3.465 1.00 . A A . 19 LYS HZ3 1 1 6 2061 1 1 19 LYS N N -12.579 2.015 -0.138 1.00 . A A . 19 LYS N 1 1 6 2062 1 1 19 LYS NZ N -14.851 5.484 3.383 1.00 . A A . 19 LYS NZ 1 1 6 2063 1 1 19 LYS O O -13.792 3.197 -2.754 1.00 . A A . 19 LYS O 1 1 6 2064 1 1 19 LYS OXT O -15.424 2.247 -1.654 1.00 . A A . 19 LYS OXT 1 1 7 2065 1 1 1 PRO C C 13.089 3.366 0.435 1.00 . A A . 1 PRO C 1 1 7 2066 1 1 1 PRO CA C 14.369 3.791 1.119 1.00 . A A . 1 PRO CA 1 1 7 2067 1 1 1 PRO CB C 14.673 2.826 2.265 1.00 . A A . 1 PRO CB 1 1 7 2068 1 1 1 PRO CD C 14.804 5.110 3.047 1.00 . A A . 1 PRO CD 1 1 7 2069 1 1 1 PRO CG C 14.610 3.674 3.500 1.00 . A A . 1 PRO CG 1 1 7 2070 1 1 1 PRO H2 H 13.824 5.711 0.897 1.00 . A A . 1 PRO H2 1 1 7 2071 1 1 1 PRO H3 H 15.113 5.608 1.831 1.00 . A A . 1 PRO H3 1 1 7 2072 1 1 1 PRO HA H 15.188 3.774 0.416 1.00 . A A . 1 PRO HA 1 1 7 2073 1 1 1 PRO HB2 H 13.920 2.051 2.284 1.00 . A A . 1 PRO HB2 1 1 7 2074 1 1 1 PRO HB3 H 15.647 2.379 2.140 1.00 . A A . 1 PRO HB3 1 1 7 2075 1 1 1 PRO HD2 H 14.296 5.770 3.739 1.00 . A A . 1 PRO HD2 1 1 7 2076 1 1 1 PRO HD3 H 15.867 5.313 3.075 1.00 . A A . 1 PRO HD3 1 1 7 2077 1 1 1 PRO HG2 H 13.647 3.557 3.973 1.00 . A A . 1 PRO HG2 1 1 7 2078 1 1 1 PRO HG3 H 15.397 3.389 4.183 1.00 . A A . 1 PRO HG3 1 1 7 2079 1 1 1 PRO N N 14.214 5.125 1.662 1.00 . A A . 1 PRO N 1 1 7 2080 1 1 1 PRO O O 12.027 3.342 1.063 1.00 . A A . 1 PRO O 1 1 7 2081 1 1 2 MET C C 11.242 1.514 -1.082 1.00 . A A . 2 MET C 1 1 7 2082 1 1 2 MET CA C 12.085 2.608 -1.697 1.00 . A A . 2 MET CA 1 1 7 2083 1 1 2 MET CB C 12.568 2.144 -3.087 1.00 . A A . 2 MET CB 1 1 7 2084 1 1 2 MET CE C 15.304 5.009 -4.406 1.00 . A A . 2 MET CE 1 1 7 2085 1 1 2 MET CG C 13.275 3.204 -3.914 1.00 . A A . 2 MET CG 1 1 7 2086 1 1 2 MET H H 14.104 2.971 -1.243 1.00 . A A . 2 MET H 1 1 7 2087 1 1 2 MET HA H 11.466 3.482 -1.834 1.00 . A A . 2 MET HA 1 1 7 2088 1 1 2 MET HB2 H 13.252 1.320 -2.953 1.00 . A A . 2 MET HB2 1 1 7 2089 1 1 2 MET HB3 H 11.712 1.792 -3.645 1.00 . A A . 2 MET HB3 1 1 7 2090 1 1 2 MET HE1 H 15.285 4.640 -5.420 1.00 . A A . 2 MET HE1 1 1 7 2091 1 1 2 MET HE2 H 16.291 5.381 -4.182 1.00 . A A . 2 MET HE2 1 1 7 2092 1 1 2 MET HE3 H 14.587 5.810 -4.302 1.00 . A A . 2 MET HE3 1 1 7 2093 1 1 2 MET HG2 H 13.412 2.829 -4.917 1.00 . A A . 2 MET HG2 1 1 7 2094 1 1 2 MET HG3 H 12.645 4.081 -3.943 1.00 . A A . 2 MET HG3 1 1 7 2095 1 1 2 MET N N 13.209 2.994 -0.836 1.00 . A A . 2 MET N 1 1 7 2096 1 1 2 MET O O 10.033 1.526 -1.215 1.00 . A A . 2 MET O 1 1 7 2097 1 1 2 MET SD S 14.892 3.682 -3.265 1.00 . A A . 2 MET SD 1 1 7 2098 1 1 3 LYS C C 10.101 -0.106 1.236 1.00 . A A . 3 LYS C 1 1 7 2099 1 1 3 LYS CA C 11.211 -0.533 0.252 1.00 . A A . 3 LYS CA 1 1 7 2100 1 1 3 LYS CB C 12.234 -1.463 0.921 1.00 . A A . 3 LYS CB 1 1 7 2101 1 1 3 LYS CD C 14.221 -1.741 2.420 1.00 . A A . 3 LYS CD 1 1 7 2102 1 1 3 LYS CE C 15.204 -1.044 3.348 1.00 . A A . 3 LYS CE 1 1 7 2103 1 1 3 LYS CG C 13.153 -0.783 1.926 1.00 . A A . 3 LYS CG 1 1 7 2104 1 1 3 LYS H H 12.862 0.687 -0.312 1.00 . A A . 3 LYS H 1 1 7 2105 1 1 3 LYS HA H 10.733 -1.081 -0.546 1.00 . A A . 3 LYS HA 1 1 7 2106 1 1 3 LYS HB2 H 11.699 -2.244 1.440 1.00 . A A . 3 LYS HB2 1 1 7 2107 1 1 3 LYS HB3 H 12.845 -1.912 0.153 1.00 . A A . 3 LYS HB3 1 1 7 2108 1 1 3 LYS HD2 H 13.745 -2.549 2.954 1.00 . A A . 3 LYS HD2 1 1 7 2109 1 1 3 LYS HD3 H 14.755 -2.138 1.571 1.00 . A A . 3 LYS HD3 1 1 7 2110 1 1 3 LYS HE2 H 15.640 -0.210 2.819 1.00 . A A . 3 LYS HE2 1 1 7 2111 1 1 3 LYS HE3 H 14.672 -0.674 4.210 1.00 . A A . 3 LYS HE3 1 1 7 2112 1 1 3 LYS HG2 H 13.626 0.063 1.452 1.00 . A A . 3 LYS HG2 1 1 7 2113 1 1 3 LYS HG3 H 12.564 -0.444 2.765 1.00 . A A . 3 LYS HG3 1 1 7 2114 1 1 3 LYS HZ1 H 16.974 -1.467 4.404 1.00 . A A . 3 LYS HZ1 1 1 7 2115 1 1 3 LYS HZ2 H 16.820 -2.328 2.985 1.00 . A A . 3 LYS HZ2 1 1 7 2116 1 1 3 LYS HZ3 H 15.920 -2.767 4.315 1.00 . A A . 3 LYS HZ3 1 1 7 2117 1 1 3 LYS N N 11.886 0.599 -0.382 1.00 . A A . 3 LYS N 1 1 7 2118 1 1 3 LYS NZ N 16.285 -1.947 3.791 1.00 . A A . 3 LYS NZ 1 1 7 2119 1 1 3 LYS O O 9.099 -0.807 1.386 1.00 . A A . 3 LYS O 1 1 7 2120 1 1 4 LEU C C 8.108 2.202 2.065 1.00 . A A . 4 LEU C 1 1 7 2121 1 1 4 LEU CA C 9.261 1.537 2.803 1.00 . A A . 4 LEU CA 1 1 7 2122 1 1 4 LEU CB C 9.884 2.482 3.837 1.00 . A A . 4 LEU CB 1 1 7 2123 1 1 4 LEU CD1 C 11.491 2.908 5.725 1.00 . A A . 4 LEU CD1 1 1 7 2124 1 1 4 LEU CD2 C 10.466 0.648 5.471 1.00 . A A . 4 LEU CD2 1 1 7 2125 1 1 4 LEU CG C 10.980 1.879 4.733 1.00 . A A . 4 LEU CG 1 1 7 2126 1 1 4 LEU H H 11.042 1.606 1.658 1.00 . A A . 4 LEU H 1 1 7 2127 1 1 4 LEU HA H 8.864 0.670 3.309 1.00 . A A . 4 LEU HA 1 1 7 2128 1 1 4 LEU HB2 H 10.305 3.323 3.306 1.00 . A A . 4 LEU HB2 1 1 7 2129 1 1 4 LEU HB3 H 9.094 2.848 4.476 1.00 . A A . 4 LEU HB3 1 1 7 2130 1 1 4 LEU HD11 H 10.675 3.233 6.353 1.00 . A A . 4 LEU HD11 1 1 7 2131 1 1 4 LEU HD12 H 11.892 3.757 5.193 1.00 . A A . 4 LEU HD12 1 1 7 2132 1 1 4 LEU HD13 H 12.263 2.468 6.339 1.00 . A A . 4 LEU HD13 1 1 7 2133 1 1 4 LEU HD21 H 11.241 0.268 6.120 1.00 . A A . 4 LEU HD21 1 1 7 2134 1 1 4 LEU HD22 H 10.198 -0.117 4.757 1.00 . A A . 4 LEU HD22 1 1 7 2135 1 1 4 LEU HD23 H 9.602 0.916 6.060 1.00 . A A . 4 LEU HD23 1 1 7 2136 1 1 4 LEU HG H 11.812 1.579 4.111 1.00 . A A . 4 LEU HG 1 1 7 2137 1 1 4 LEU N N 10.256 1.056 1.857 1.00 . A A . 4 LEU N 1 1 7 2138 1 1 4 LEU O O 6.935 2.031 2.439 1.00 . A A . 4 LEU O 1 1 7 2139 1 1 5 LEU C C 6.615 2.492 -0.563 1.00 . A A . 5 LEU C 1 1 7 2140 1 1 5 LEU CA C 7.430 3.559 0.145 1.00 . A A . 5 LEU CA 1 1 7 2141 1 1 5 LEU CB C 8.061 4.510 -0.909 1.00 . A A . 5 LEU CB 1 1 7 2142 1 1 5 LEU CD1 C 9.888 5.657 0.450 1.00 . A A . 5 LEU CD1 1 1 7 2143 1 1 5 LEU CD2 C 8.997 6.738 -1.612 1.00 . A A . 5 LEU CD2 1 1 7 2144 1 1 5 LEU CG C 8.665 5.850 -0.425 1.00 . A A . 5 LEU CG 1 1 7 2145 1 1 5 LEU H H 9.385 3.009 0.761 1.00 . A A . 5 LEU H 1 1 7 2146 1 1 5 LEU HA H 6.771 4.124 0.787 1.00 . A A . 5 LEU HA 1 1 7 2147 1 1 5 LEU HB2 H 8.847 3.962 -1.408 1.00 . A A . 5 LEU HB2 1 1 7 2148 1 1 5 LEU HB3 H 7.301 4.731 -1.643 1.00 . A A . 5 LEU HB3 1 1 7 2149 1 1 5 LEU HD11 H 10.655 5.140 -0.107 1.00 . A A . 5 LEU HD11 1 1 7 2150 1 1 5 LEU HD12 H 9.618 5.070 1.317 1.00 . A A . 5 LEU HD12 1 1 7 2151 1 1 5 LEU HD13 H 10.260 6.620 0.768 1.00 . A A . 5 LEU HD13 1 1 7 2152 1 1 5 LEU HD21 H 8.096 6.948 -2.170 1.00 . A A . 5 LEU HD21 1 1 7 2153 1 1 5 LEU HD22 H 9.705 6.233 -2.252 1.00 . A A . 5 LEU HD22 1 1 7 2154 1 1 5 LEU HD23 H 9.427 7.665 -1.261 1.00 . A A . 5 LEU HD23 1 1 7 2155 1 1 5 LEU HG H 7.924 6.364 0.168 1.00 . A A . 5 LEU HG 1 1 7 2156 1 1 5 LEU N N 8.438 2.915 0.990 1.00 . A A . 5 LEU N 1 1 7 2157 1 1 5 LEU O O 5.406 2.627 -0.754 1.00 . A A . 5 LEU O 1 1 7 2158 1 1 6 LYS C C 5.728 -0.398 -0.604 1.00 . A A . 6 LYS C 1 1 7 2159 1 1 6 LYS CA C 6.697 0.280 -1.570 1.00 . A A . 6 LYS CA 1 1 7 2160 1 1 6 LYS CB C 7.802 -0.689 -1.996 1.00 . A A . 6 LYS CB 1 1 7 2161 1 1 6 LYS CD C 8.467 -2.837 -3.124 1.00 . A A . 6 LYS CD 1 1 7 2162 1 1 6 LYS CE C 9.476 -2.175 -4.053 1.00 . A A . 6 LYS CE 1 1 7 2163 1 1 6 LYS CG C 7.319 -1.904 -2.761 1.00 . A A . 6 LYS CG 1 1 7 2164 1 1 6 LYS H H 8.269 1.434 -0.789 1.00 . A A . 6 LYS H 1 1 7 2165 1 1 6 LYS HA H 6.162 0.615 -2.446 1.00 . A A . 6 LYS HA 1 1 7 2166 1 1 6 LYS HB2 H 8.500 -0.152 -2.620 1.00 . A A . 6 LYS HB2 1 1 7 2167 1 1 6 LYS HB3 H 8.320 -1.028 -1.110 1.00 . A A . 6 LYS HB3 1 1 7 2168 1 1 6 LYS HD2 H 8.974 -3.136 -2.219 1.00 . A A . 6 LYS HD2 1 1 7 2169 1 1 6 LYS HD3 H 8.063 -3.712 -3.610 1.00 . A A . 6 LYS HD3 1 1 7 2170 1 1 6 LYS HE2 H 8.962 -1.779 -4.915 1.00 . A A . 6 LYS HE2 1 1 7 2171 1 1 6 LYS HE3 H 9.955 -1.366 -3.522 1.00 . A A . 6 LYS HE3 1 1 7 2172 1 1 6 LYS HG2 H 6.605 -2.442 -2.156 1.00 . A A . 6 LYS HG2 1 1 7 2173 1 1 6 LYS HG3 H 6.840 -1.571 -3.669 1.00 . A A . 6 LYS HG3 1 1 7 2174 1 1 6 LYS HZ1 H 11.194 -2.666 -5.132 1.00 . A A . 6 LYS HZ1 1 1 7 2175 1 1 6 LYS HZ2 H 10.081 -3.919 -5.019 1.00 . A A . 6 LYS HZ2 1 1 7 2176 1 1 6 LYS HZ3 H 11.027 -3.527 -3.691 1.00 . A A . 6 LYS HZ3 1 1 7 2177 1 1 6 LYS N N 7.296 1.429 -0.929 1.00 . A A . 6 LYS N 1 1 7 2178 1 1 6 LYS NZ N 10.511 -3.128 -4.499 1.00 . A A . 6 LYS NZ 1 1 7 2179 1 1 6 LYS O O 4.627 -0.788 -0.988 1.00 . A A . 6 LYS O 1 1 7 2180 1 1 7 ARG C C 4.040 -0.246 1.873 1.00 . A A . 7 ARG C 1 1 7 2181 1 1 7 ARG CA C 5.318 -1.066 1.714 1.00 . A A . 7 ARG CA 1 1 7 2182 1 1 7 ARG CB C 6.097 -1.096 3.041 1.00 . A A . 7 ARG CB 1 1 7 2183 1 1 7 ARG CD C 4.932 -3.127 4.016 1.00 . A A . 7 ARG CD 1 1 7 2184 1 1 7 ARG CG C 5.331 -1.672 4.234 1.00 . A A . 7 ARG CG 1 1 7 2185 1 1 7 ARG CZ C 6.023 -5.349 3.710 1.00 . A A . 7 ARG CZ 1 1 7 2186 1 1 7 ARG H H 7.047 -0.185 0.876 1.00 . A A . 7 ARG H 1 1 7 2187 1 1 7 ARG HA H 5.062 -2.076 1.430 1.00 . A A . 7 ARG HA 1 1 7 2188 1 1 7 ARG HB2 H 6.989 -1.686 2.901 1.00 . A A . 7 ARG HB2 1 1 7 2189 1 1 7 ARG HB3 H 6.391 -0.085 3.281 1.00 . A A . 7 ARG HB3 1 1 7 2190 1 1 7 ARG HD2 H 4.380 -3.464 4.881 1.00 . A A . 7 ARG HD2 1 1 7 2191 1 1 7 ARG HD3 H 4.302 -3.186 3.141 1.00 . A A . 7 ARG HD3 1 1 7 2192 1 1 7 ARG HE H 6.973 -3.568 3.805 1.00 . A A . 7 ARG HE 1 1 7 2193 1 1 7 ARG HG2 H 5.955 -1.610 5.114 1.00 . A A . 7 ARG HG2 1 1 7 2194 1 1 7 ARG HG3 H 4.439 -1.083 4.388 1.00 . A A . 7 ARG HG3 1 1 7 2195 1 1 7 ARG HH11 H 3.985 -5.440 3.795 1.00 . A A . 7 ARG HH11 1 1 7 2196 1 1 7 ARG HH12 H 4.745 -6.954 3.623 1.00 . A A . 7 ARG HH12 1 1 7 2197 1 1 7 ARG HH21 H 8.049 -5.659 3.559 1.00 . A A . 7 ARG HH21 1 1 7 2198 1 1 7 ARG HH22 H 7.112 -7.064 3.500 1.00 . A A . 7 ARG HH22 1 1 7 2199 1 1 7 ARG N N 6.143 -0.497 0.658 1.00 . A A . 7 ARG N 1 1 7 2200 1 1 7 ARG NE N 6.094 -4.012 3.829 1.00 . A A . 7 ARG NE 1 1 7 2201 1 1 7 ARG NH1 N 4.841 -5.959 3.710 1.00 . A A . 7 ARG NH1 1 1 7 2202 1 1 7 ARG NH2 N 7.130 -6.065 3.579 1.00 . A A . 7 ARG NH2 1 1 7 2203 1 1 7 ARG O O 2.952 -0.794 2.001 1.00 . A A . 7 ARG O 1 1 7 2204 1 1 8 LEU C C 2.151 1.870 0.720 1.00 . A A . 8 LEU C 1 1 7 2205 1 1 8 LEU CA C 3.036 1.935 1.964 1.00 . A A . 8 LEU CA 1 1 7 2206 1 1 8 LEU CB C 3.478 3.373 2.234 1.00 . A A . 8 LEU CB 1 1 7 2207 1 1 8 LEU CD1 C 1.527 4.032 3.690 1.00 . A A . 8 LEU CD1 1 1 7 2208 1 1 8 LEU CD2 C 2.915 5.782 2.579 1.00 . A A . 8 LEU CD2 1 1 7 2209 1 1 8 LEU CG C 2.351 4.387 2.460 1.00 . A A . 8 LEU CG 1 1 7 2210 1 1 8 LEU H H 5.073 1.443 1.694 1.00 . A A . 8 LEU H 1 1 7 2211 1 1 8 LEU HA H 2.465 1.581 2.810 1.00 . A A . 8 LEU HA 1 1 7 2212 1 1 8 LEU HB2 H 4.112 3.372 3.108 1.00 . A A . 8 LEU HB2 1 1 7 2213 1 1 8 LEU HB3 H 4.062 3.706 1.388 1.00 . A A . 8 LEU HB3 1 1 7 2214 1 1 8 LEU HD11 H 2.169 4.003 4.558 1.00 . A A . 8 LEU HD11 1 1 7 2215 1 1 8 LEU HD12 H 1.059 3.069 3.551 1.00 . A A . 8 LEU HD12 1 1 7 2216 1 1 8 LEU HD13 H 0.763 4.783 3.836 1.00 . A A . 8 LEU HD13 1 1 7 2217 1 1 8 LEU HD21 H 3.619 5.815 3.397 1.00 . A A . 8 LEU HD21 1 1 7 2218 1 1 8 LEU HD22 H 2.110 6.477 2.765 1.00 . A A . 8 LEU HD22 1 1 7 2219 1 1 8 LEU HD23 H 3.417 6.050 1.660 1.00 . A A . 8 LEU HD23 1 1 7 2220 1 1 8 LEU HG H 1.688 4.363 1.607 1.00 . A A . 8 LEU HG 1 1 7 2221 1 1 8 LEU N N 4.177 1.061 1.824 1.00 . A A . 8 LEU N 1 1 7 2222 1 1 8 LEU O O 0.936 1.980 0.821 1.00 . A A . 8 LEU O 1 1 7 2223 1 1 9 GLY C C 0.911 0.641 -1.713 1.00 . A A . 9 GLY C 1 1 7 2224 1 1 9 GLY CA C 2.098 1.574 -1.708 1.00 . A A . 9 GLY CA 1 1 7 2225 1 1 9 GLY H H 3.753 1.514 -0.404 1.00 . A A . 9 GLY H 1 1 7 2226 1 1 9 GLY HA2 H 1.760 2.566 -1.972 1.00 . A A . 9 GLY HA2 1 1 7 2227 1 1 9 GLY HA3 H 2.804 1.240 -2.453 1.00 . A A . 9 GLY HA3 1 1 7 2228 1 1 9 GLY N N 2.780 1.636 -0.428 1.00 . A A . 9 GLY N 1 1 7 2229 1 1 9 GLY O O -0.197 1.049 -2.071 1.00 . A A . 9 GLY O 1 1 7 2230 1 1 10 LYS C C -0.989 -1.194 -0.154 1.00 . A A . 10 LYS C 1 1 7 2231 1 1 10 LYS CA C 0.007 -1.538 -1.260 1.00 . A A . 10 LYS CA 1 1 7 2232 1 1 10 LYS CB C 0.427 -3.040 -1.192 1.00 . A A . 10 LYS CB 1 1 7 2233 1 1 10 LYS CD C 2.732 -3.194 -0.066 1.00 . A A . 10 LYS CD 1 1 7 2234 1 1 10 LYS CE C 3.414 -4.002 -1.172 1.00 . A A . 10 LYS CE 1 1 7 2235 1 1 10 LYS CG C 1.235 -3.494 0.039 1.00 . A A . 10 LYS CG 1 1 7 2236 1 1 10 LYS H H 2.018 -0.842 -0.997 1.00 . A A . 10 LYS H 1 1 7 2237 1 1 10 LYS HA H -0.513 -1.369 -2.192 1.00 . A A . 10 LYS HA 1 1 7 2238 1 1 10 LYS HB2 H -0.474 -3.633 -1.216 1.00 . A A . 10 LYS HB2 1 1 7 2239 1 1 10 LYS HB3 H 0.997 -3.266 -2.081 1.00 . A A . 10 LYS HB3 1 1 7 2240 1 1 10 LYS HD2 H 2.876 -2.144 -0.265 1.00 . A A . 10 LYS HD2 1 1 7 2241 1 1 10 LYS HD3 H 3.194 -3.440 0.878 1.00 . A A . 10 LYS HD3 1 1 7 2242 1 1 10 LYS HE2 H 2.937 -3.794 -2.117 1.00 . A A . 10 LYS HE2 1 1 7 2243 1 1 10 LYS HE3 H 4.449 -3.698 -1.226 1.00 . A A . 10 LYS HE3 1 1 7 2244 1 1 10 LYS HG2 H 0.848 -2.982 0.907 1.00 . A A . 10 LYS HG2 1 1 7 2245 1 1 10 LYS HG3 H 1.095 -4.558 0.168 1.00 . A A . 10 LYS HG3 1 1 7 2246 1 1 10 LYS HZ1 H 2.371 -5.782 -0.814 1.00 . A A . 10 LYS HZ1 1 1 7 2247 1 1 10 LYS HZ2 H 3.871 -5.738 -0.061 1.00 . A A . 10 LYS HZ2 1 1 7 2248 1 1 10 LYS HZ3 H 3.763 -5.980 -1.722 1.00 . A A . 10 LYS HZ3 1 1 7 2249 1 1 10 LYS N N 1.113 -0.595 -1.286 1.00 . A A . 10 LYS N 1 1 7 2250 1 1 10 LYS NZ N 3.356 -5.461 -0.920 1.00 . A A . 10 LYS NZ 1 1 7 2251 1 1 10 LYS O O -2.192 -1.337 -0.334 1.00 . A A . 10 LYS O 1 1 7 2252 1 1 11 LYS C C -2.280 0.799 1.795 1.00 . A A . 11 LYS C 1 1 7 2253 1 1 11 LYS CA C -1.313 -0.343 2.099 1.00 . A A . 11 LYS CA 1 1 7 2254 1 1 11 LYS CB C -0.458 0.021 3.309 1.00 . A A . 11 LYS CB 1 1 7 2255 1 1 11 LYS CD C 1.250 -0.670 5.036 1.00 . A A . 11 LYS CD 1 1 7 2256 1 1 11 LYS CE C 0.381 -0.190 6.188 1.00 . A A . 11 LYS CE 1 1 7 2257 1 1 11 LYS CG C 0.403 -1.116 3.843 1.00 . A A . 11 LYS CG 1 1 7 2258 1 1 11 LYS H H 0.484 -0.512 1.007 1.00 . A A . 11 LYS H 1 1 7 2259 1 1 11 LYS HA H -1.892 -1.220 2.348 1.00 . A A . 11 LYS HA 1 1 7 2260 1 1 11 LYS HB2 H 0.193 0.838 3.036 1.00 . A A . 11 LYS HB2 1 1 7 2261 1 1 11 LYS HB3 H -1.118 0.349 4.097 1.00 . A A . 11 LYS HB3 1 1 7 2262 1 1 11 LYS HD2 H 1.849 -1.504 5.373 1.00 . A A . 11 LYS HD2 1 1 7 2263 1 1 11 LYS HD3 H 1.900 0.135 4.723 1.00 . A A . 11 LYS HD3 1 1 7 2264 1 1 11 LYS HE2 H -0.158 0.685 5.857 1.00 . A A . 11 LYS HE2 1 1 7 2265 1 1 11 LYS HE3 H -0.316 -0.973 6.446 1.00 . A A . 11 LYS HE3 1 1 7 2266 1 1 11 LYS HG2 H -0.241 -1.925 4.153 1.00 . A A . 11 LYS HG2 1 1 7 2267 1 1 11 LYS HG3 H 1.057 -1.456 3.054 1.00 . A A . 11 LYS HG3 1 1 7 2268 1 1 11 LYS HZ1 H 0.536 0.487 8.143 1.00 . A A . 11 LYS HZ1 1 1 7 2269 1 1 11 LYS HZ2 H 1.792 0.993 7.155 1.00 . A A . 11 LYS HZ2 1 1 7 2270 1 1 11 LYS HZ3 H 1.750 -0.602 7.704 1.00 . A A . 11 LYS HZ3 1 1 7 2271 1 1 11 LYS N N -0.482 -0.680 0.955 1.00 . A A . 11 LYS N 1 1 7 2272 1 1 11 LYS NZ N 1.166 0.190 7.372 1.00 . A A . 11 LYS NZ 1 1 7 2273 1 1 11 LYS O O -3.466 0.709 2.122 1.00 . A A . 11 LYS O 1 1 7 2274 1 1 12 ILE C C -3.657 2.738 -0.183 1.00 . A A . 12 ILE C 1 1 7 2275 1 1 12 ILE CA C -2.597 3.030 0.881 1.00 . A A . 12 ILE CA 1 1 7 2276 1 1 12 ILE CB C -1.731 4.286 0.496 1.00 . A A . 12 ILE CB 1 1 7 2277 1 1 12 ILE CD1 C -1.839 6.826 0.099 1.00 . A A . 12 ILE CD1 1 1 7 2278 1 1 12 ILE CG1 C -2.609 5.549 0.389 1.00 . A A . 12 ILE CG1 1 1 7 2279 1 1 12 ILE CG2 C -0.940 4.062 -0.799 1.00 . A A . 12 ILE CG2 1 1 7 2280 1 1 12 ILE H H -0.836 1.843 0.887 1.00 . A A . 12 ILE H 1 1 7 2281 1 1 12 ILE HA H -3.123 3.249 1.799 1.00 . A A . 12 ILE HA 1 1 7 2282 1 1 12 ILE HB H -1.013 4.428 1.287 1.00 . A A . 12 ILE HB 1 1 7 2283 1 1 12 ILE HD11 H -2.527 7.657 0.039 1.00 . A A . 12 ILE HD11 1 1 7 2284 1 1 12 ILE HD12 H -1.312 6.724 -0.838 1.00 . A A . 12 ILE HD12 1 1 7 2285 1 1 12 ILE HD13 H -1.129 7.004 0.893 1.00 . A A . 12 ILE HD13 1 1 7 2286 1 1 12 ILE HG12 H -3.324 5.412 -0.409 1.00 . A A . 12 ILE HG12 1 1 7 2287 1 1 12 ILE HG13 H -3.143 5.683 1.319 1.00 . A A . 12 ILE HG13 1 1 7 2288 1 1 12 ILE HG21 H -1.627 3.854 -1.605 1.00 . A A . 12 ILE HG21 1 1 7 2289 1 1 12 ILE HG22 H -0.272 3.221 -0.675 1.00 . A A . 12 ILE HG22 1 1 7 2290 1 1 12 ILE HG23 H -0.368 4.948 -1.032 1.00 . A A . 12 ILE HG23 1 1 7 2291 1 1 12 ILE N N -1.783 1.851 1.159 1.00 . A A . 12 ILE N 1 1 7 2292 1 1 12 ILE O O -4.807 3.169 -0.065 1.00 . A A . 12 ILE O 1 1 7 2293 1 1 13 ARG C C -5.306 0.670 -1.722 1.00 . A A . 13 ARG C 1 1 7 2294 1 1 13 ARG CA C -4.237 1.625 -2.248 1.00 . A A . 13 ARG CA 1 1 7 2295 1 1 13 ARG CB C -3.538 1.062 -3.502 1.00 . A A . 13 ARG CB 1 1 7 2296 1 1 13 ARG CD C -2.069 -0.683 -4.551 1.00 . A A . 13 ARG CD 1 1 7 2297 1 1 13 ARG CG C -2.843 -0.273 -3.311 1.00 . A A . 13 ARG CG 1 1 7 2298 1 1 13 ARG CZ C -0.070 0.103 -5.831 1.00 . A A . 13 ARG CZ 1 1 7 2299 1 1 13 ARG H H -2.363 1.637 -1.209 1.00 . A A . 13 ARG H 1 1 7 2300 1 1 13 ARG HA H -4.733 2.549 -2.506 1.00 . A A . 13 ARG HA 1 1 7 2301 1 1 13 ARG HB2 H -4.274 0.943 -4.282 1.00 . A A . 13 ARG HB2 1 1 7 2302 1 1 13 ARG HB3 H -2.803 1.781 -3.834 1.00 . A A . 13 ARG HB3 1 1 7 2303 1 1 13 ARG HD2 H -1.658 -1.671 -4.403 1.00 . A A . 13 ARG HD2 1 1 7 2304 1 1 13 ARG HD3 H -2.753 -0.695 -5.385 1.00 . A A . 13 ARG HD3 1 1 7 2305 1 1 13 ARG HE H -0.930 1.044 -4.263 1.00 . A A . 13 ARG HE 1 1 7 2306 1 1 13 ARG HG2 H -2.162 -0.186 -2.479 1.00 . A A . 13 ARG HG2 1 1 7 2307 1 1 13 ARG HG3 H -3.587 -1.026 -3.089 1.00 . A A . 13 ARG HG3 1 1 7 2308 1 1 13 ARG HH11 H -0.861 -1.631 -6.584 1.00 . A A . 13 ARG HH11 1 1 7 2309 1 1 13 ARG HH12 H 0.524 -1.090 -7.398 1.00 . A A . 13 ARG HH12 1 1 7 2310 1 1 13 ARG HH21 H 0.905 1.827 -5.391 1.00 . A A . 13 ARG HH21 1 1 7 2311 1 1 13 ARG HH22 H 1.580 0.961 -6.703 1.00 . A A . 13 ARG HH22 1 1 7 2312 1 1 13 ARG N N -3.290 1.958 -1.190 1.00 . A A . 13 ARG N 1 1 7 2313 1 1 13 ARG NE N -0.975 0.254 -4.853 1.00 . A A . 13 ARG NE 1 1 7 2314 1 1 13 ARG NH1 N -0.138 -0.938 -6.661 1.00 . A A . 13 ARG NH1 1 1 7 2315 1 1 13 ARG NH2 N 0.874 1.022 -5.992 1.00 . A A . 13 ARG NH2 1 1 7 2316 1 1 13 ARG O O -6.465 0.729 -2.143 1.00 . A A . 13 ARG O 1 1 7 2317 1 1 14 LEU C C -6.810 -0.322 0.747 1.00 . A A . 14 LEU C 1 1 7 2318 1 1 14 LEU CA C -5.854 -1.100 -0.150 1.00 . A A . 14 LEU CA 1 1 7 2319 1 1 14 LEU CB C -5.096 -2.160 0.661 1.00 . A A . 14 LEU CB 1 1 7 2320 1 1 14 LEU CD1 C -6.740 -4.051 0.364 1.00 . A A . 14 LEU CD1 1 1 7 2321 1 1 14 LEU CD2 C -5.061 -4.120 2.214 1.00 . A A . 14 LEU CD2 1 1 7 2322 1 1 14 LEU CG C -5.945 -3.224 1.367 1.00 . A A . 14 LEU CG 1 1 7 2323 1 1 14 LEU H H -3.980 -0.209 -0.502 1.00 . A A . 14 LEU H 1 1 7 2324 1 1 14 LEU HA H -6.419 -1.583 -0.931 1.00 . A A . 14 LEU HA 1 1 7 2325 1 1 14 LEU HB2 H -4.416 -2.667 -0.006 1.00 . A A . 14 LEU HB2 1 1 7 2326 1 1 14 LEU HB3 H -4.512 -1.646 1.409 1.00 . A A . 14 LEU HB3 1 1 7 2327 1 1 14 LEU HD11 H -6.061 -4.536 -0.322 1.00 . A A . 14 LEU HD11 1 1 7 2328 1 1 14 LEU HD12 H -7.413 -3.409 -0.185 1.00 . A A . 14 LEU HD12 1 1 7 2329 1 1 14 LEU HD13 H -7.312 -4.801 0.891 1.00 . A A . 14 LEU HD13 1 1 7 2330 1 1 14 LEU HD21 H -4.327 -4.601 1.586 1.00 . A A . 14 LEU HD21 1 1 7 2331 1 1 14 LEU HD22 H -5.673 -4.873 2.690 1.00 . A A . 14 LEU HD22 1 1 7 2332 1 1 14 LEU HD23 H -4.564 -3.530 2.969 1.00 . A A . 14 LEU HD23 1 1 7 2333 1 1 14 LEU HG H -6.651 -2.732 2.021 1.00 . A A . 14 LEU HG 1 1 7 2334 1 1 14 LEU N N -4.922 -0.181 -0.777 1.00 . A A . 14 LEU N 1 1 7 2335 1 1 14 LEU O O -8.001 -0.609 0.790 1.00 . A A . 14 LEU O 1 1 7 2336 1 1 15 ALA C C -8.109 2.302 1.488 1.00 . A A . 15 ALA C 1 1 7 2337 1 1 15 ALA CA C -7.066 1.548 2.299 1.00 . A A . 15 ALA CA 1 1 7 2338 1 1 15 ALA CB C -6.166 2.525 3.040 1.00 . A A . 15 ALA CB 1 1 7 2339 1 1 15 ALA H H -5.311 0.851 1.345 1.00 . A A . 15 ALA H 1 1 7 2340 1 1 15 ALA HA H -7.568 0.921 3.021 1.00 . A A . 15 ALA HA 1 1 7 2341 1 1 15 ALA HB1 H -5.418 1.980 3.594 1.00 . A A . 15 ALA HB1 1 1 7 2342 1 1 15 ALA HB2 H -6.760 3.115 3.722 1.00 . A A . 15 ALA HB2 1 1 7 2343 1 1 15 ALA HB3 H -5.682 3.178 2.328 1.00 . A A . 15 ALA HB3 1 1 7 2344 1 1 15 ALA N N -6.276 0.688 1.426 1.00 . A A . 15 ALA N 1 1 7 2345 1 1 15 ALA O O -9.262 2.431 1.902 1.00 . A A . 15 ALA O 1 1 7 2346 1 1 16 ALA C C -9.674 2.532 -1.101 1.00 . A A . 16 ALA C 1 1 7 2347 1 1 16 ALA CA C -8.587 3.473 -0.585 1.00 . A A . 16 ALA CA 1 1 7 2348 1 1 16 ALA CB C -7.803 4.075 -1.744 1.00 . A A . 16 ALA CB 1 1 7 2349 1 1 16 ALA H H -6.750 2.673 0.082 1.00 . A A . 16 ALA H 1 1 7 2350 1 1 16 ALA HA H -9.056 4.274 -0.034 1.00 . A A . 16 ALA HA 1 1 7 2351 1 1 16 ALA HB1 H -8.475 4.631 -2.382 1.00 . A A . 16 ALA HB1 1 1 7 2352 1 1 16 ALA HB2 H -7.339 3.283 -2.312 1.00 . A A . 16 ALA HB2 1 1 7 2353 1 1 16 ALA HB3 H -7.041 4.736 -1.359 1.00 . A A . 16 ALA HB3 1 1 7 2354 1 1 16 ALA N N -7.697 2.775 0.322 1.00 . A A . 16 ALA N 1 1 7 2355 1 1 16 ALA O O -10.840 2.899 -1.172 1.00 . A A . 16 ALA O 1 1 7 2356 1 1 17 ALA C C -11.222 -0.105 -0.837 1.00 . A A . 17 ALA C 1 1 7 2357 1 1 17 ALA CA C -10.229 0.308 -1.921 1.00 . A A . 17 ALA CA 1 1 7 2358 1 1 17 ALA CB C -9.488 -0.910 -2.444 1.00 . A A . 17 ALA CB 1 1 7 2359 1 1 17 ALA H H -8.342 1.069 -1.327 1.00 . A A . 17 ALA H 1 1 7 2360 1 1 17 ALA HA H -10.773 0.754 -2.739 1.00 . A A . 17 ALA HA 1 1 7 2361 1 1 17 ALA HB1 H -8.791 -0.605 -3.210 1.00 . A A . 17 ALA HB1 1 1 7 2362 1 1 17 ALA HB2 H -10.193 -1.614 -2.860 1.00 . A A . 17 ALA HB2 1 1 7 2363 1 1 17 ALA HB3 H -8.948 -1.377 -1.634 1.00 . A A . 17 ALA HB3 1 1 7 2364 1 1 17 ALA N N -9.290 1.305 -1.421 1.00 . A A . 17 ALA N 1 1 7 2365 1 1 17 ALA O O -12.371 -0.461 -1.135 1.00 . A A . 17 ALA O 1 1 7 2366 1 1 18 PHE C C -12.741 0.589 1.765 1.00 . A A . 18 PHE C 1 1 7 2367 1 1 18 PHE CA C -11.576 -0.401 1.562 1.00 . A A . 18 PHE CA 1 1 7 2368 1 1 18 PHE CB C -10.672 -0.474 2.811 1.00 . A A . 18 PHE CB 1 1 7 2369 1 1 18 PHE CD1 C -11.651 -0.137 5.106 1.00 . A A . 18 PHE CD1 1 1 7 2370 1 1 18 PHE CD2 C -11.649 -2.330 4.185 1.00 . A A . 18 PHE CD2 1 1 7 2371 1 1 18 PHE CE1 C -12.260 -0.615 6.247 1.00 . A A . 18 PHE CE1 1 1 7 2372 1 1 18 PHE CE2 C -12.257 -2.811 5.324 1.00 . A A . 18 PHE CE2 1 1 7 2373 1 1 18 PHE CG C -11.339 -0.990 4.060 1.00 . A A . 18 PHE CG 1 1 7 2374 1 1 18 PHE CZ C -12.563 -1.953 6.356 1.00 . A A . 18 PHE CZ 1 1 7 2375 1 1 18 PHE H H -9.850 0.259 0.549 1.00 . A A . 18 PHE H 1 1 7 2376 1 1 18 PHE HA H -11.989 -1.382 1.375 1.00 . A A . 18 PHE HA 1 1 7 2377 1 1 18 PHE HB2 H -9.839 -1.126 2.599 1.00 . A A . 18 PHE HB2 1 1 7 2378 1 1 18 PHE HB3 H -10.291 0.515 3.019 1.00 . A A . 18 PHE HB3 1 1 7 2379 1 1 18 PHE HD1 H -11.416 0.913 5.026 1.00 . A A . 18 PHE HD1 1 1 7 2380 1 1 18 PHE HD2 H -11.413 -3.010 3.379 1.00 . A A . 18 PHE HD2 1 1 7 2381 1 1 18 PHE HE1 H -12.499 0.056 7.058 1.00 . A A . 18 PHE HE1 1 1 7 2382 1 1 18 PHE HE2 H -12.496 -3.860 5.409 1.00 . A A . 18 PHE HE2 1 1 7 2383 1 1 18 PHE HZ H -13.040 -2.329 7.251 1.00 . A A . 18 PHE HZ 1 1 7 2384 1 1 18 PHE N N -10.777 -0.036 0.404 1.00 . A A . 18 PHE N 1 1 7 2385 1 1 18 PHE O O -13.797 0.222 2.298 1.00 . A A . 18 PHE O 1 1 7 2386 1 1 19 LYS C C -14.354 2.929 0.120 1.00 . A A . 19 LYS C 1 1 7 2387 1 1 19 LYS CA C -13.610 2.820 1.434 1.00 . A A . 19 LYS CA 1 1 7 2388 1 1 19 LYS CB C -13.074 4.205 1.863 1.00 . A A . 19 LYS CB 1 1 7 2389 1 1 19 LYS CD C -11.610 3.514 3.829 1.00 . A A . 19 LYS CD 1 1 7 2390 1 1 19 LYS CE C -11.374 3.675 5.322 1.00 . A A . 19 LYS CE 1 1 7 2391 1 1 19 LYS CG C -12.765 4.373 3.354 1.00 . A A . 19 LYS CG 1 1 7 2392 1 1 19 LYS H H -11.721 2.073 0.895 1.00 . A A . 19 LYS H 1 1 7 2393 1 1 19 LYS HA H -14.309 2.468 2.178 1.00 . A A . 19 LYS HA 1 1 7 2394 1 1 19 LYS HB2 H -12.164 4.402 1.316 1.00 . A A . 19 LYS HB2 1 1 7 2395 1 1 19 LYS HB3 H -13.807 4.947 1.584 1.00 . A A . 19 LYS HB3 1 1 7 2396 1 1 19 LYS HD2 H -11.837 2.480 3.615 1.00 . A A . 19 LYS HD2 1 1 7 2397 1 1 19 LYS HD3 H -10.716 3.801 3.295 1.00 . A A . 19 LYS HD3 1 1 7 2398 1 1 19 LYS HE2 H -12.264 3.374 5.855 1.00 . A A . 19 LYS HE2 1 1 7 2399 1 1 19 LYS HE3 H -10.553 3.034 5.606 1.00 . A A . 19 LYS HE3 1 1 7 2400 1 1 19 LYS HG2 H -12.519 5.407 3.541 1.00 . A A . 19 LYS HG2 1 1 7 2401 1 1 19 LYS HG3 H -13.651 4.118 3.917 1.00 . A A . 19 LYS HG3 1 1 7 2402 1 1 19 LYS HZ1 H -10.885 5.166 6.714 1.00 . A A . 19 LYS HZ1 1 1 7 2403 1 1 19 LYS HZ2 H -11.819 5.716 5.444 1.00 . A A . 19 LYS HZ2 1 1 7 2404 1 1 19 LYS HZ3 H -10.190 5.392 5.202 1.00 . A A . 19 LYS HZ3 1 1 7 2405 1 1 19 LYS N N -12.563 1.821 1.332 1.00 . A A . 19 LYS N 1 1 7 2406 1 1 19 LYS NZ N -11.046 5.065 5.693 1.00 . A A . 19 LYS NZ 1 1 7 2407 1 1 19 LYS O O -13.930 3.716 -0.749 1.00 . A A . 19 LYS O 1 1 7 2408 1 1 19 LYS OXT O -15.363 2.215 -0.066 1.00 . A A . 19 LYS OXT 1 1 8 2409 1 1 1 PRO C C 12.421 3.751 -0.914 1.00 . A A . 1 PRO C 1 1 8 2410 1 1 1 PRO CA C 13.200 4.726 -0.051 1.00 . A A . 1 PRO CA 1 1 8 2411 1 1 1 PRO CB C 12.720 4.669 1.390 1.00 . A A . 1 PRO CB 1 1 8 2412 1 1 1 PRO CD C 12.104 6.800 0.423 1.00 . A A . 1 PRO CD 1 1 8 2413 1 1 1 PRO CG C 12.380 6.094 1.735 1.00 . A A . 1 PRO CG 1 1 8 2414 1 1 1 PRO H2 H 13.490 6.127 -1.467 1.00 . A A . 1 PRO H2 1 1 8 2415 1 1 1 PRO H3 H 13.431 6.820 0.016 1.00 . A A . 1 PRO H3 1 1 8 2416 1 1 1 PRO HA H 14.250 4.482 -0.092 1.00 . A A . 1 PRO HA 1 1 8 2417 1 1 1 PRO HB2 H 11.857 4.023 1.454 1.00 . A A . 1 PRO HB2 1 1 8 2418 1 1 1 PRO HB3 H 13.510 4.291 2.024 1.00 . A A . 1 PRO HB3 1 1 8 2419 1 1 1 PRO HD2 H 11.039 6.714 0.241 1.00 . A A . 1 PRO HD2 1 1 8 2420 1 1 1 PRO HD3 H 12.345 7.852 0.508 1.00 . A A . 1 PRO HD3 1 1 8 2421 1 1 1 PRO HG2 H 11.504 6.118 2.366 1.00 . A A . 1 PRO HG2 1 1 8 2422 1 1 1 PRO HG3 H 13.212 6.557 2.243 1.00 . A A . 1 PRO HG3 1 1 8 2423 1 1 1 PRO N N 13.002 6.066 -0.550 1.00 . A A . 1 PRO N 1 1 8 2424 1 1 1 PRO O O 11.224 3.918 -1.083 1.00 . A A . 1 PRO O 1 1 8 2425 1 1 2 MET C C 11.413 0.891 -1.675 1.00 . A A . 2 MET C 1 1 8 2426 1 1 2 MET CA C 12.442 1.785 -2.355 1.00 . A A . 2 MET CA 1 1 8 2427 1 1 2 MET CB C 13.458 0.891 -3.105 1.00 . A A . 2 MET CB 1 1 8 2428 1 1 2 MET CE C 16.366 3.313 -4.895 1.00 . A A . 2 MET CE 1 1 8 2429 1 1 2 MET CG C 14.343 1.590 -4.137 1.00 . A A . 2 MET CG 1 1 8 2430 1 1 2 MET H H 14.036 2.607 -1.234 1.00 . A A . 2 MET H 1 1 8 2431 1 1 2 MET HA H 11.920 2.375 -3.093 1.00 . A A . 2 MET HA 1 1 8 2432 1 1 2 MET HB2 H 14.108 0.432 -2.377 1.00 . A A . 2 MET HB2 1 1 8 2433 1 1 2 MET HB3 H 12.908 0.108 -3.608 1.00 . A A . 2 MET HB3 1 1 8 2434 1 1 2 MET HE1 H 15.652 3.781 -5.558 1.00 . A A . 2 MET HE1 1 1 8 2435 1 1 2 MET HE2 H 16.824 2.473 -5.396 1.00 . A A . 2 MET HE2 1 1 8 2436 1 1 2 MET HE3 H 17.126 4.029 -4.622 1.00 . A A . 2 MET HE3 1 1 8 2437 1 1 2 MET HG2 H 14.895 0.838 -4.681 1.00 . A A . 2 MET HG2 1 1 8 2438 1 1 2 MET HG3 H 13.709 2.127 -4.826 1.00 . A A . 2 MET HG3 1 1 8 2439 1 1 2 MET N N 13.084 2.736 -1.443 1.00 . A A . 2 MET N 1 1 8 2440 1 1 2 MET O O 10.294 0.772 -2.151 1.00 . A A . 2 MET O 1 1 8 2441 1 1 2 MET SD S 15.524 2.744 -3.417 1.00 . A A . 2 MET SD 1 1 8 2442 1 1 3 LYS C C 9.742 -0.142 0.809 1.00 . A A . 3 LYS C 1 1 8 2443 1 1 3 LYS CA C 10.905 -0.728 0.029 1.00 . A A . 3 LYS CA 1 1 8 2444 1 1 3 LYS CB C 11.699 -1.659 0.931 1.00 . A A . 3 LYS CB 1 1 8 2445 1 1 3 LYS CD C 13.501 -3.341 1.218 1.00 . A A . 3 LYS CD 1 1 8 2446 1 1 3 LYS CE C 14.555 -4.178 0.536 1.00 . A A . 3 LYS CE 1 1 8 2447 1 1 3 LYS CG C 12.771 -2.458 0.229 1.00 . A A . 3 LYS CG 1 1 8 2448 1 1 3 LYS H H 12.621 0.508 -0.137 1.00 . A A . 3 LYS H 1 1 8 2449 1 1 3 LYS HA H 10.503 -1.321 -0.778 1.00 . A A . 3 LYS HA 1 1 8 2450 1 1 3 LYS HB2 H 12.180 -1.062 1.691 1.00 . A A . 3 LYS HB2 1 1 8 2451 1 1 3 LYS HB3 H 11.015 -2.347 1.405 1.00 . A A . 3 LYS HB3 1 1 8 2452 1 1 3 LYS HD2 H 13.976 -2.717 1.962 1.00 . A A . 3 LYS HD2 1 1 8 2453 1 1 3 LYS HD3 H 12.787 -3.992 1.698 1.00 . A A . 3 LYS HD3 1 1 8 2454 1 1 3 LYS HE2 H 14.078 -4.790 -0.215 1.00 . A A . 3 LYS HE2 1 1 8 2455 1 1 3 LYS HE3 H 15.270 -3.521 0.062 1.00 . A A . 3 LYS HE3 1 1 8 2456 1 1 3 LYS HG2 H 12.312 -3.076 -0.528 1.00 . A A . 3 LYS HG2 1 1 8 2457 1 1 3 LYS HG3 H 13.476 -1.780 -0.229 1.00 . A A . 3 LYS HG3 1 1 8 2458 1 1 3 LYS HZ1 H 14.591 -5.682 1.975 1.00 . A A . 3 LYS HZ1 1 1 8 2459 1 1 3 LYS HZ2 H 15.785 -4.493 2.194 1.00 . A A . 3 LYS HZ2 1 1 8 2460 1 1 3 LYS HZ3 H 15.943 -5.641 0.972 1.00 . A A . 3 LYS HZ3 1 1 8 2461 1 1 3 LYS N N 11.772 0.279 -0.569 1.00 . A A . 3 LYS N 1 1 8 2462 1 1 3 LYS NZ N 15.260 -5.052 1.490 1.00 . A A . 3 LYS NZ 1 1 8 2463 1 1 3 LYS O O 8.585 -0.317 0.422 1.00 . A A . 3 LYS O 1 1 8 2464 1 1 4 LEU C C 7.975 2.003 2.068 1.00 . A A . 4 LEU C 1 1 8 2465 1 1 4 LEU CA C 8.986 1.106 2.758 1.00 . A A . 4 LEU CA 1 1 8 2466 1 1 4 LEU CB C 9.509 1.764 4.055 1.00 . A A . 4 LEU CB 1 1 8 2467 1 1 4 LEU CD1 C 10.408 3.826 5.112 1.00 . A A . 4 LEU CD1 1 1 8 2468 1 1 4 LEU CD2 C 11.918 2.354 3.864 1.00 . A A . 4 LEU CD2 1 1 8 2469 1 1 4 LEU CG C 10.513 2.908 3.916 1.00 . A A . 4 LEU CG 1 1 8 2470 1 1 4 LEU H H 10.979 0.790 2.059 1.00 . A A . 4 LEU H 1 1 8 2471 1 1 4 LEU HA H 8.434 0.222 3.041 1.00 . A A . 4 LEU HA 1 1 8 2472 1 1 4 LEU HB2 H 8.656 2.144 4.596 1.00 . A A . 4 LEU HB2 1 1 8 2473 1 1 4 LEU HB3 H 9.962 0.990 4.655 1.00 . A A . 4 LEU HB3 1 1 8 2474 1 1 4 LEU HD11 H 9.400 4.203 5.195 1.00 . A A . 4 LEU HD11 1 1 8 2475 1 1 4 LEU HD12 H 11.083 4.657 4.974 1.00 . A A . 4 LEU HD12 1 1 8 2476 1 1 4 LEU HD13 H 10.673 3.289 6.010 1.00 . A A . 4 LEU HD13 1 1 8 2477 1 1 4 LEU HD21 H 12.016 1.685 3.025 1.00 . A A . 4 LEU HD21 1 1 8 2478 1 1 4 LEU HD22 H 12.130 1.818 4.778 1.00 . A A . 4 LEU HD22 1 1 8 2479 1 1 4 LEU HD23 H 12.618 3.169 3.755 1.00 . A A . 4 LEU HD23 1 1 8 2480 1 1 4 LEU HG H 10.330 3.467 3.011 1.00 . A A . 4 LEU HG 1 1 8 2481 1 1 4 LEU N N 10.037 0.602 1.866 1.00 . A A . 4 LEU N 1 1 8 2482 1 1 4 LEU O O 6.808 1.981 2.422 1.00 . A A . 4 LEU O 1 1 8 2483 1 1 5 LEU C C 6.457 2.811 -0.440 1.00 . A A . 5 LEU C 1 1 8 2484 1 1 5 LEU CA C 7.475 3.627 0.350 1.00 . A A . 5 LEU CA 1 1 8 2485 1 1 5 LEU CB C 8.206 4.576 -0.596 1.00 . A A . 5 LEU CB 1 1 8 2486 1 1 5 LEU CD1 C 6.689 6.581 -0.425 1.00 . A A . 5 LEU CD1 1 1 8 2487 1 1 5 LEU CD2 C 8.090 6.249 -2.457 1.00 . A A . 5 LEU CD2 1 1 8 2488 1 1 5 LEU CG C 7.314 5.562 -1.363 1.00 . A A . 5 LEU CG 1 1 8 2489 1 1 5 LEU H H 9.340 2.704 0.784 1.00 . A A . 5 LEU H 1 1 8 2490 1 1 5 LEU HA H 6.948 4.207 1.093 1.00 . A A . 5 LEU HA 1 1 8 2491 1 1 5 LEU HB2 H 8.923 5.142 -0.020 1.00 . A A . 5 LEU HB2 1 1 8 2492 1 1 5 LEU HB3 H 8.743 3.981 -1.320 1.00 . A A . 5 LEU HB3 1 1 8 2493 1 1 5 LEU HD11 H 6.053 7.247 -0.989 1.00 . A A . 5 LEU HD11 1 1 8 2494 1 1 5 LEU HD12 H 7.474 7.152 0.047 1.00 . A A . 5 LEU HD12 1 1 8 2495 1 1 5 LEU HD13 H 6.105 6.075 0.330 1.00 . A A . 5 LEU HD13 1 1 8 2496 1 1 5 LEU HD21 H 8.905 6.806 -2.021 1.00 . A A . 5 LEU HD21 1 1 8 2497 1 1 5 LEU HD22 H 7.436 6.923 -2.990 1.00 . A A . 5 LEU HD22 1 1 8 2498 1 1 5 LEU HD23 H 8.482 5.511 -3.141 1.00 . A A . 5 LEU HD23 1 1 8 2499 1 1 5 LEU HG H 6.506 5.008 -1.817 1.00 . A A . 5 LEU HG 1 1 8 2500 1 1 5 LEU N N 8.400 2.749 1.056 1.00 . A A . 5 LEU N 1 1 8 2501 1 1 5 LEU O O 5.270 3.153 -0.488 1.00 . A A . 5 LEU O 1 1 8 2502 1 1 6 LYS C C 5.173 0.019 -0.937 1.00 . A A . 6 LYS C 1 1 8 2503 1 1 6 LYS CA C 6.041 0.884 -1.827 1.00 . A A . 6 LYS CA 1 1 8 2504 1 1 6 LYS CB C 6.837 0.031 -2.817 1.00 . A A . 6 LYS CB 1 1 8 2505 1 1 6 LYS CD C 6.869 1.787 -4.644 1.00 . A A . 6 LYS CD 1 1 8 2506 1 1 6 LYS CE C 7.769 2.578 -5.572 1.00 . A A . 6 LYS CE 1 1 8 2507 1 1 6 LYS CG C 7.690 0.836 -3.792 1.00 . A A . 6 LYS CG 1 1 8 2508 1 1 6 LYS H H 7.847 1.448 -0.905 1.00 . A A . 6 LYS H 1 1 8 2509 1 1 6 LYS HA H 5.387 1.543 -2.379 1.00 . A A . 6 LYS HA 1 1 8 2510 1 1 6 LYS HB2 H 7.492 -0.618 -2.255 1.00 . A A . 6 LYS HB2 1 1 8 2511 1 1 6 LYS HB3 H 6.150 -0.577 -3.387 1.00 . A A . 6 LYS HB3 1 1 8 2512 1 1 6 LYS HD2 H 6.164 1.221 -5.233 1.00 . A A . 6 LYS HD2 1 1 8 2513 1 1 6 LYS HD3 H 6.338 2.475 -4.002 1.00 . A A . 6 LYS HD3 1 1 8 2514 1 1 6 LYS HE2 H 8.462 3.150 -4.973 1.00 . A A . 6 LYS HE2 1 1 8 2515 1 1 6 LYS HE3 H 8.321 1.886 -6.190 1.00 . A A . 6 LYS HE3 1 1 8 2516 1 1 6 LYS HG2 H 8.408 1.413 -3.230 1.00 . A A . 6 LYS HG2 1 1 8 2517 1 1 6 LYS HG3 H 8.216 0.151 -4.441 1.00 . A A . 6 LYS HG3 1 1 8 2518 1 1 6 LYS HZ1 H 6.349 2.984 -7.044 1.00 . A A . 6 LYS HZ1 1 1 8 2519 1 1 6 LYS HZ2 H 7.656 4.053 -7.037 1.00 . A A . 6 LYS HZ2 1 1 8 2520 1 1 6 LYS HZ3 H 6.469 4.176 -5.862 1.00 . A A . 6 LYS HZ3 1 1 8 2521 1 1 6 LYS N N 6.910 1.717 -1.027 1.00 . A A . 6 LYS N 1 1 8 2522 1 1 6 LYS NZ N 7.013 3.503 -6.434 1.00 . A A . 6 LYS NZ 1 1 8 2523 1 1 6 LYS O O 4.037 -0.291 -1.285 1.00 . A A . 6 LYS O 1 1 8 2524 1 1 7 ARG C C 3.835 -0.222 1.759 1.00 . A A . 7 ARG C 1 1 8 2525 1 1 7 ARG CA C 4.923 -1.117 1.189 1.00 . A A . 7 ARG CA 1 1 8 2526 1 1 7 ARG CB C 5.800 -1.665 2.311 1.00 . A A . 7 ARG CB 1 1 8 2527 1 1 7 ARG CD C 7.658 -3.178 3.011 1.00 . A A . 7 ARG CD 1 1 8 2528 1 1 7 ARG CG C 6.921 -2.568 1.840 1.00 . A A . 7 ARG CG 1 1 8 2529 1 1 7 ARG CZ C 7.157 -4.776 4.861 1.00 . A A . 7 ARG CZ 1 1 8 2530 1 1 7 ARG H H 6.640 -0.138 0.404 1.00 . A A . 7 ARG H 1 1 8 2531 1 1 7 ARG HA H 4.452 -1.934 0.660 1.00 . A A . 7 ARG HA 1 1 8 2532 1 1 7 ARG HB2 H 6.239 -0.836 2.845 1.00 . A A . 7 ARG HB2 1 1 8 2533 1 1 7 ARG HB3 H 5.179 -2.227 2.992 1.00 . A A . 7 ARG HB3 1 1 8 2534 1 1 7 ARG HD2 H 8.497 -3.739 2.629 1.00 . A A . 7 ARG HD2 1 1 8 2535 1 1 7 ARG HD3 H 8.013 -2.389 3.656 1.00 . A A . 7 ARG HD3 1 1 8 2536 1 1 7 ARG HE H 5.887 -4.191 3.416 1.00 . A A . 7 ARG HE 1 1 8 2537 1 1 7 ARG HG2 H 6.509 -3.357 1.231 1.00 . A A . 7 ARG HG2 1 1 8 2538 1 1 7 ARG HG3 H 7.614 -1.984 1.253 1.00 . A A . 7 ARG HG3 1 1 8 2539 1 1 7 ARG HH11 H 9.037 -3.987 4.988 1.00 . A A . 7 ARG HH11 1 1 8 2540 1 1 7 ARG HH12 H 8.675 -5.145 6.184 1.00 . A A . 7 ARG HH12 1 1 8 2541 1 1 7 ARG HH21 H 5.375 -5.744 5.041 1.00 . A A . 7 ARG HH21 1 1 8 2542 1 1 7 ARG HH22 H 6.519 -6.185 6.214 1.00 . A A . 7 ARG HH22 1 1 8 2543 1 1 7 ARG N N 5.700 -0.358 0.218 1.00 . A A . 7 ARG N 1 1 8 2544 1 1 7 ARG NE N 6.794 -4.081 3.783 1.00 . A A . 7 ARG NE 1 1 8 2545 1 1 7 ARG NH1 N 8.370 -4.624 5.384 1.00 . A A . 7 ARG NH1 1 1 8 2546 1 1 7 ARG NH2 N 6.298 -5.620 5.416 1.00 . A A . 7 ARG NH2 1 1 8 2547 1 1 7 ARG O O 2.680 -0.632 1.896 1.00 . A A . 7 ARG O 1 1 8 2548 1 1 8 LEU C C 2.206 2.225 1.453 1.00 . A A . 8 LEU C 1 1 8 2549 1 1 8 LEU CA C 3.273 2.026 2.514 1.00 . A A . 8 LEU CA 1 1 8 2550 1 1 8 LEU CB C 3.999 3.350 2.763 1.00 . A A . 8 LEU CB 1 1 8 2551 1 1 8 LEU CD1 C 2.551 4.273 4.598 1.00 . A A . 8 LEU CD1 1 1 8 2552 1 1 8 LEU CD2 C 3.943 5.805 3.202 1.00 . A A . 8 LEU CD2 1 1 8 2553 1 1 8 LEU CG C 3.138 4.526 3.220 1.00 . A A . 8 LEU CG 1 1 8 2554 1 1 8 LEU H H 5.161 1.265 1.991 1.00 . A A . 8 LEU H 1 1 8 2555 1 1 8 LEU HA H 2.820 1.687 3.432 1.00 . A A . 8 LEU HA 1 1 8 2556 1 1 8 LEU HB2 H 4.756 3.179 3.514 1.00 . A A . 8 LEU HB2 1 1 8 2557 1 1 8 LEU HB3 H 4.494 3.633 1.846 1.00 . A A . 8 LEU HB3 1 1 8 2558 1 1 8 LEU HD11 H 1.932 3.388 4.569 1.00 . A A . 8 LEU HD11 1 1 8 2559 1 1 8 LEU HD12 H 1.952 5.121 4.896 1.00 . A A . 8 LEU HD12 1 1 8 2560 1 1 8 LEU HD13 H 3.351 4.130 5.310 1.00 . A A . 8 LEU HD13 1 1 8 2561 1 1 8 LEU HD21 H 4.310 5.991 2.204 1.00 . A A . 8 LEU HD21 1 1 8 2562 1 1 8 LEU HD22 H 4.775 5.714 3.884 1.00 . A A . 8 LEU HD22 1 1 8 2563 1 1 8 LEU HD23 H 3.311 6.624 3.511 1.00 . A A . 8 LEU HD23 1 1 8 2564 1 1 8 LEU HG H 2.313 4.638 2.532 1.00 . A A . 8 LEU HG 1 1 8 2565 1 1 8 LEU N N 4.211 1.020 2.056 1.00 . A A . 8 LEU N 1 1 8 2566 1 1 8 LEU O O 1.022 2.228 1.752 1.00 . A A . 8 LEU O 1 1 8 2567 1 1 9 GLY C C 0.776 1.372 -1.068 1.00 . A A . 9 GLY C 1 1 8 2568 1 1 9 GLY CA C 1.758 2.514 -0.926 1.00 . A A . 9 GLY CA 1 1 8 2569 1 1 9 GLY H H 3.621 2.315 0.053 1.00 . A A . 9 GLY H 1 1 8 2570 1 1 9 GLY HA2 H 1.209 3.435 -0.799 1.00 . A A . 9 GLY HA2 1 1 8 2571 1 1 9 GLY HA3 H 2.350 2.580 -1.826 1.00 . A A . 9 GLY HA3 1 1 8 2572 1 1 9 GLY N N 2.651 2.338 0.205 1.00 . A A . 9 GLY N 1 1 8 2573 1 1 9 GLY O O -0.390 1.588 -1.402 1.00 . A A . 9 GLY O 1 1 8 2574 1 1 10 LYS C C -0.717 -0.902 0.210 1.00 . A A . 10 LYS C 1 1 8 2575 1 1 10 LYS CA C 0.418 -1.029 -0.821 1.00 . A A . 10 LYS CA 1 1 8 2576 1 1 10 LYS CB C 1.291 -2.262 -0.531 1.00 . A A . 10 LYS CB 1 1 8 2577 1 1 10 LYS CD C 1.534 -4.743 -0.310 1.00 . A A . 10 LYS CD 1 1 8 2578 1 1 10 LYS CE C 0.858 -6.096 -0.435 1.00 . A A . 10 LYS CE 1 1 8 2579 1 1 10 LYS CG C 0.584 -3.602 -0.641 1.00 . A A . 10 LYS CG 1 1 8 2580 1 1 10 LYS H H 2.192 0.073 -0.553 1.00 . A A . 10 LYS H 1 1 8 2581 1 1 10 LYS HA H -0.007 -1.117 -1.810 1.00 . A A . 10 LYS HA 1 1 8 2582 1 1 10 LYS HB2 H 2.118 -2.267 -1.226 1.00 . A A . 10 LYS HB2 1 1 8 2583 1 1 10 LYS HB3 H 1.686 -2.168 0.470 1.00 . A A . 10 LYS HB3 1 1 8 2584 1 1 10 LYS HD2 H 2.366 -4.710 -0.997 1.00 . A A . 10 LYS HD2 1 1 8 2585 1 1 10 LYS HD3 H 1.894 -4.619 0.701 1.00 . A A . 10 LYS HD3 1 1 8 2586 1 1 10 LYS HE2 H -0.019 -6.112 0.193 1.00 . A A . 10 LYS HE2 1 1 8 2587 1 1 10 LYS HE3 H 0.562 -6.243 -1.463 1.00 . A A . 10 LYS HE3 1 1 8 2588 1 1 10 LYS HG2 H -0.247 -3.619 0.049 1.00 . A A . 10 LYS HG2 1 1 8 2589 1 1 10 LYS HG3 H 0.220 -3.725 -1.651 1.00 . A A . 10 LYS HG3 1 1 8 2590 1 1 10 LYS HZ1 H 2.096 -7.060 0.940 1.00 . A A . 10 LYS HZ1 1 1 8 2591 1 1 10 LYS HZ2 H 2.569 -7.289 -0.666 1.00 . A A . 10 LYS HZ2 1 1 8 2592 1 1 10 LYS HZ3 H 1.238 -8.101 -0.051 1.00 . A A . 10 LYS HZ3 1 1 8 2593 1 1 10 LYS N N 1.242 0.165 -0.786 1.00 . A A . 10 LYS N 1 1 8 2594 1 1 10 LYS NZ N 1.752 -7.196 -0.032 1.00 . A A . 10 LYS NZ 1 1 8 2595 1 1 10 LYS O O -1.862 -1.257 -0.060 1.00 . A A . 10 LYS O 1 1 8 2596 1 1 11 LYS C C -2.314 1.024 2.043 1.00 . A A . 11 LYS C 1 1 8 2597 1 1 11 LYS CA C -1.379 -0.129 2.423 1.00 . A A . 11 LYS CA 1 1 8 2598 1 1 11 LYS CB C -0.688 0.173 3.761 1.00 . A A . 11 LYS CB 1 1 8 2599 1 1 11 LYS CD C -0.582 -2.215 4.576 1.00 . A A . 11 LYS CD 1 1 8 2600 1 1 11 LYS CE C 0.312 -3.305 5.143 1.00 . A A . 11 LYS CE 1 1 8 2601 1 1 11 LYS CG C 0.208 -0.945 4.284 1.00 . A A . 11 LYS CG 1 1 8 2602 1 1 11 LYS H H 0.545 -0.093 1.519 1.00 . A A . 11 LYS H 1 1 8 2603 1 1 11 LYS HA H -1.966 -1.029 2.523 1.00 . A A . 11 LYS HA 1 1 8 2604 1 1 11 LYS HB2 H -0.080 1.058 3.640 1.00 . A A . 11 LYS HB2 1 1 8 2605 1 1 11 LYS HB3 H -1.447 0.375 4.503 1.00 . A A . 11 LYS HB3 1 1 8 2606 1 1 11 LYS HD2 H -1.353 -1.988 5.296 1.00 . A A . 11 LYS HD2 1 1 8 2607 1 1 11 LYS HD3 H -1.033 -2.573 3.662 1.00 . A A . 11 LYS HD3 1 1 8 2608 1 1 11 LYS HE2 H 1.088 -3.526 4.425 1.00 . A A . 11 LYS HE2 1 1 8 2609 1 1 11 LYS HE3 H 0.764 -2.947 6.056 1.00 . A A . 11 LYS HE3 1 1 8 2610 1 1 11 LYS HG2 H 0.959 -1.166 3.540 1.00 . A A . 11 LYS HG2 1 1 8 2611 1 1 11 LYS HG3 H 0.689 -0.611 5.191 1.00 . A A . 11 LYS HG3 1 1 8 2612 1 1 11 LYS HZ1 H 0.172 -5.280 5.834 1.00 . A A . 11 LYS HZ1 1 1 8 2613 1 1 11 LYS HZ2 H -0.852 -4.938 4.559 1.00 . A A . 11 LYS HZ2 1 1 8 2614 1 1 11 LYS HZ3 H -1.228 -4.383 6.086 1.00 . A A . 11 LYS HZ3 1 1 8 2615 1 1 11 LYS N N -0.392 -0.352 1.369 1.00 . A A . 11 LYS N 1 1 8 2616 1 1 11 LYS NZ N -0.439 -4.545 5.429 1.00 . A A . 11 LYS NZ 1 1 8 2617 1 1 11 LYS O O -3.522 0.967 2.288 1.00 . A A . 11 LYS O 1 1 8 2618 1 1 12 ILE C C -3.568 2.825 -0.044 1.00 . A A . 12 ILE C 1 1 8 2619 1 1 12 ILE CA C -2.503 3.231 0.976 1.00 . A A . 12 ILE CA 1 1 8 2620 1 1 12 ILE CB C -1.572 4.311 0.332 1.00 . A A . 12 ILE CB 1 1 8 2621 1 1 12 ILE CD1 C -1.070 5.472 2.581 1.00 . A A . 12 ILE CD1 1 1 8 2622 1 1 12 ILE CG1 C -0.514 4.824 1.329 1.00 . A A . 12 ILE CG1 1 1 8 2623 1 1 12 ILE CG2 C -2.375 5.475 -0.244 1.00 . A A . 12 ILE CG2 1 1 8 2624 1 1 12 ILE H H -0.774 2.024 1.287 1.00 . A A . 12 ILE H 1 1 8 2625 1 1 12 ILE HA H -2.995 3.662 1.836 1.00 . A A . 12 ILE HA 1 1 8 2626 1 1 12 ILE HB H -1.063 3.836 -0.495 1.00 . A A . 12 ILE HB 1 1 8 2627 1 1 12 ILE HD11 H -1.673 4.760 3.124 1.00 . A A . 12 ILE HD11 1 1 8 2628 1 1 12 ILE HD12 H -1.675 6.321 2.303 1.00 . A A . 12 ILE HD12 1 1 8 2629 1 1 12 ILE HD13 H -0.252 5.803 3.204 1.00 . A A . 12 ILE HD13 1 1 8 2630 1 1 12 ILE HG12 H 0.100 3.993 1.644 1.00 . A A . 12 ILE HG12 1 1 8 2631 1 1 12 ILE HG13 H 0.110 5.546 0.826 1.00 . A A . 12 ILE HG13 1 1 8 2632 1 1 12 ILE HG21 H -1.703 6.178 -0.710 1.00 . A A . 12 ILE HG21 1 1 8 2633 1 1 12 ILE HG22 H -2.916 5.965 0.551 1.00 . A A . 12 ILE HG22 1 1 8 2634 1 1 12 ILE HG23 H -3.073 5.101 -0.978 1.00 . A A . 12 ILE HG23 1 1 8 2635 1 1 12 ILE N N -1.747 2.054 1.426 1.00 . A A . 12 ILE N 1 1 8 2636 1 1 12 ILE O O -4.749 3.193 0.084 1.00 . A A . 12 ILE O 1 1 8 2637 1 1 13 ARG C C -5.089 0.623 -1.516 1.00 . A A . 13 ARG C 1 1 8 2638 1 1 13 ARG CA C -4.078 1.610 -2.076 1.00 . A A . 13 ARG CA 1 1 8 2639 1 1 13 ARG CB C -3.350 1.028 -3.301 1.00 . A A . 13 ARG CB 1 1 8 2640 1 1 13 ARG CD C -1.946 -0.772 -4.334 1.00 . A A . 13 ARG CD 1 1 8 2641 1 1 13 ARG CG C -2.506 -0.204 -3.041 1.00 . A A . 13 ARG CG 1 1 8 2642 1 1 13 ARG CZ C -2.854 -2.004 -6.312 1.00 . A A . 13 ARG CZ 1 1 8 2643 1 1 13 ARG H H -2.209 1.791 -1.078 1.00 . A A . 13 ARG H 1 1 8 2644 1 1 13 ARG HA H -4.628 2.488 -2.383 1.00 . A A . 13 ARG HA 1 1 8 2645 1 1 13 ARG HB2 H -4.081 0.766 -4.049 1.00 . A A . 13 ARG HB2 1 1 8 2646 1 1 13 ARG HB3 H -2.705 1.796 -3.705 1.00 . A A . 13 ARG HB3 1 1 8 2647 1 1 13 ARG HD2 H -1.367 -0.007 -4.830 1.00 . A A . 13 ARG HD2 1 1 8 2648 1 1 13 ARG HD3 H -1.307 -1.613 -4.102 1.00 . A A . 13 ARG HD3 1 1 8 2649 1 1 13 ARG HE H -3.925 -0.944 -4.972 1.00 . A A . 13 ARG HE 1 1 8 2650 1 1 13 ARG HG2 H -1.688 0.069 -2.390 1.00 . A A . 13 ARG HG2 1 1 8 2651 1 1 13 ARG HG3 H -3.118 -0.952 -2.560 1.00 . A A . 13 ARG HG3 1 1 8 2652 1 1 13 ARG HH11 H -0.811 -1.966 -6.289 1.00 . A A . 13 ARG HH11 1 1 8 2653 1 1 13 ARG HH12 H -1.511 -2.918 -7.523 1.00 . A A . 13 ARG HH12 1 1 8 2654 1 1 13 ARG HH21 H -4.855 -2.202 -6.732 1.00 . A A . 13 ARG HH21 1 1 8 2655 1 1 13 ARG HH22 H -3.828 -3.039 -7.789 1.00 . A A . 13 ARG HH22 1 1 8 2656 1 1 13 ARG N N -3.158 2.050 -1.041 1.00 . A A . 13 ARG N 1 1 8 2657 1 1 13 ARG NE N -3.019 -1.224 -5.235 1.00 . A A . 13 ARG NE 1 1 8 2658 1 1 13 ARG NH1 N -1.640 -2.308 -6.737 1.00 . A A . 13 ARG NH1 1 1 8 2659 1 1 13 ARG NH2 N -3.914 -2.438 -6.989 1.00 . A A . 13 ARG NH2 1 1 8 2660 1 1 13 ARG O O -6.241 0.592 -1.944 1.00 . A A . 13 ARG O 1 1 8 2661 1 1 14 LEU C C -6.668 -0.358 0.817 1.00 . A A . 14 LEU C 1 1 8 2662 1 1 14 LEU CA C -5.534 -1.099 0.135 1.00 . A A . 14 LEU CA 1 1 8 2663 1 1 14 LEU CB C -4.761 -1.937 1.155 1.00 . A A . 14 LEU CB 1 1 8 2664 1 1 14 LEU CD1 C -6.080 -4.077 0.954 1.00 . A A . 14 LEU CD1 1 1 8 2665 1 1 14 LEU CD2 C -4.723 -3.615 3.002 1.00 . A A . 14 LEU CD2 1 1 8 2666 1 1 14 LEU CG C -5.563 -3.003 1.905 1.00 . A A . 14 LEU CG 1 1 8 2667 1 1 14 LEU H H -3.728 -0.082 -0.230 1.00 . A A . 14 LEU H 1 1 8 2668 1 1 14 LEU HA H -5.948 -1.750 -0.619 1.00 . A A . 14 LEU HA 1 1 8 2669 1 1 14 LEU HB2 H -3.950 -2.428 0.638 1.00 . A A . 14 LEU HB2 1 1 8 2670 1 1 14 LEU HB3 H -4.337 -1.262 1.884 1.00 . A A . 14 LEU HB3 1 1 8 2671 1 1 14 LEU HD11 H -5.247 -4.548 0.453 1.00 . A A . 14 LEU HD11 1 1 8 2672 1 1 14 LEU HD12 H -6.736 -3.628 0.222 1.00 . A A . 14 LEU HD12 1 1 8 2673 1 1 14 LEU HD13 H -6.626 -4.820 1.516 1.00 . A A . 14 LEU HD13 1 1 8 2674 1 1 14 LEU HD21 H -3.842 -4.070 2.573 1.00 . A A . 14 LEU HD21 1 1 8 2675 1 1 14 LEU HD22 H -5.304 -4.367 3.514 1.00 . A A . 14 LEU HD22 1 1 8 2676 1 1 14 LEU HD23 H -4.429 -2.846 3.701 1.00 . A A . 14 LEU HD23 1 1 8 2677 1 1 14 LEU HG H -6.422 -2.532 2.360 1.00 . A A . 14 LEU HG 1 1 8 2678 1 1 14 LEU N N -4.662 -0.152 -0.522 1.00 . A A . 14 LEU N 1 1 8 2679 1 1 14 LEU O O -7.815 -0.711 0.654 1.00 . A A . 14 LEU O 1 1 8 2680 1 1 15 ALA C C -8.270 2.197 1.235 1.00 . A A . 15 ALA C 1 1 8 2681 1 1 15 ALA CA C -7.318 1.514 2.224 1.00 . A A . 15 ALA CA 1 1 8 2682 1 1 15 ALA CB C -6.631 2.541 3.113 1.00 . A A . 15 ALA CB 1 1 8 2683 1 1 15 ALA H H -5.379 0.938 1.607 1.00 . A A . 15 ALA H 1 1 8 2684 1 1 15 ALA HA H -7.896 0.852 2.851 1.00 . A A . 15 ALA HA 1 1 8 2685 1 1 15 ALA HB1 H -7.376 3.101 3.658 1.00 . A A . 15 ALA HB1 1 1 8 2686 1 1 15 ALA HB2 H -6.047 3.212 2.502 1.00 . A A . 15 ALA HB2 1 1 8 2687 1 1 15 ALA HB3 H -5.980 2.034 3.810 1.00 . A A . 15 ALA HB3 1 1 8 2688 1 1 15 ALA N N -6.330 0.703 1.530 1.00 . A A . 15 ALA N 1 1 8 2689 1 1 15 ALA O O -9.463 2.314 1.490 1.00 . A A . 15 ALA O 1 1 8 2690 1 1 16 ALA C C -9.522 2.289 -1.598 1.00 . A A . 16 ALA C 1 1 8 2691 1 1 16 ALA CA C -8.542 3.263 -0.940 1.00 . A A . 16 ALA CA 1 1 8 2692 1 1 16 ALA CB C -7.635 3.885 -1.985 1.00 . A A . 16 ALA CB 1 1 8 2693 1 1 16 ALA H H -6.787 2.439 -0.064 1.00 . A A . 16 ALA H 1 1 8 2694 1 1 16 ALA HA H -9.104 4.051 -0.461 1.00 . A A . 16 ALA HA 1 1 8 2695 1 1 16 ALA HB1 H -6.947 4.567 -1.509 1.00 . A A . 16 ALA HB1 1 1 8 2696 1 1 16 ALA HB2 H -8.232 4.418 -2.709 1.00 . A A . 16 ALA HB2 1 1 8 2697 1 1 16 ALA HB3 H -7.078 3.104 -2.483 1.00 . A A . 16 ALA HB3 1 1 8 2698 1 1 16 ALA N N -7.744 2.596 0.089 1.00 . A A . 16 ALA N 1 1 8 2699 1 1 16 ALA O O -10.620 2.667 -2.021 1.00 . A A . 16 ALA O 1 1 8 2700 1 1 17 ALA C C -10.890 -0.574 -1.206 1.00 . A A . 17 ALA C 1 1 8 2701 1 1 17 ALA CA C -9.951 0.003 -2.262 1.00 . A A . 17 ALA CA 1 1 8 2702 1 1 17 ALA CB C -9.096 -1.092 -2.871 1.00 . A A . 17 ALA CB 1 1 8 2703 1 1 17 ALA H H -8.205 0.822 -1.407 1.00 . A A . 17 ALA H 1 1 8 2704 1 1 17 ALA HA H -10.545 0.448 -3.048 1.00 . A A . 17 ALA HA 1 1 8 2705 1 1 17 ALA HB1 H -8.447 -0.665 -3.622 1.00 . A A . 17 ALA HB1 1 1 8 2706 1 1 17 ALA HB2 H -9.731 -1.838 -3.325 1.00 . A A . 17 ALA HB2 1 1 8 2707 1 1 17 ALA HB3 H -8.497 -1.550 -2.097 1.00 . A A . 17 ALA HB3 1 1 8 2708 1 1 17 ALA N N -9.116 1.047 -1.699 1.00 . A A . 17 ALA N 1 1 8 2709 1 1 17 ALA O O -11.938 -1.135 -1.531 1.00 . A A . 17 ALA O 1 1 8 2710 1 1 18 PHE C C -12.579 -0.255 1.338 1.00 . A A . 18 PHE C 1 1 8 2711 1 1 18 PHE CA C -11.232 -0.965 1.189 1.00 . A A . 18 PHE CA 1 1 8 2712 1 1 18 PHE CB C -10.382 -0.803 2.466 1.00 . A A . 18 PHE CB 1 1 8 2713 1 1 18 PHE CD1 C -11.654 -0.943 4.636 1.00 . A A . 18 PHE CD1 1 1 8 2714 1 1 18 PHE CD2 C -10.520 -2.886 3.850 1.00 . A A . 18 PHE CD2 1 1 8 2715 1 1 18 PHE CE1 C -12.077 -1.644 5.749 1.00 . A A . 18 PHE CE1 1 1 8 2716 1 1 18 PHE CE2 C -10.944 -3.588 4.958 1.00 . A A . 18 PHE CE2 1 1 8 2717 1 1 18 PHE CG C -10.870 -1.558 3.673 1.00 . A A . 18 PHE CG 1 1 8 2718 1 1 18 PHE CZ C -11.723 -2.965 5.909 1.00 . A A . 18 PHE CZ 1 1 8 2719 1 1 18 PHE H H -9.632 -0.002 0.217 1.00 . A A . 18 PHE H 1 1 8 2720 1 1 18 PHE HA H -11.402 -2.017 1.018 1.00 . A A . 18 PHE HA 1 1 8 2721 1 1 18 PHE HB2 H -9.378 -1.143 2.258 1.00 . A A . 18 PHE HB2 1 1 8 2722 1 1 18 PHE HB3 H -10.344 0.245 2.719 1.00 . A A . 18 PHE HB3 1 1 8 2723 1 1 18 PHE HD1 H -11.938 0.092 4.514 1.00 . A A . 18 PHE HD1 1 1 8 2724 1 1 18 PHE HD2 H -9.908 -3.376 3.106 1.00 . A A . 18 PHE HD2 1 1 8 2725 1 1 18 PHE HE1 H -12.688 -1.160 6.497 1.00 . A A . 18 PHE HE1 1 1 8 2726 1 1 18 PHE HE2 H -10.667 -4.624 5.081 1.00 . A A . 18 PHE HE2 1 1 8 2727 1 1 18 PHE HZ H -12.055 -3.511 6.781 1.00 . A A . 18 PHE HZ 1 1 8 2728 1 1 18 PHE N N -10.493 -0.442 0.048 1.00 . A A . 18 PHE N 1 1 8 2729 1 1 18 PHE O O -13.586 -0.877 1.680 1.00 . A A . 18 PHE O 1 1 8 2730 1 1 19 LYS C C -14.624 1.646 -0.106 1.00 . A A . 19 LYS C 1 1 8 2731 1 1 19 LYS CA C -13.815 1.815 1.161 1.00 . A A . 19 LYS CA 1 1 8 2732 1 1 19 LYS CB C -13.548 3.312 1.424 1.00 . A A . 19 LYS CB 1 1 8 2733 1 1 19 LYS CD C -11.832 3.114 3.287 1.00 . A A . 19 LYS CD 1 1 8 2734 1 1 19 LYS CE C -11.466 3.544 4.693 1.00 . A A . 19 LYS CE 1 1 8 2735 1 1 19 LYS CG C -13.162 3.689 2.854 1.00 . A A . 19 LYS CG 1 1 8 2736 1 1 19 LYS H H -11.758 1.474 0.812 1.00 . A A . 19 LYS H 1 1 8 2737 1 1 19 LYS HA H -14.392 1.414 1.981 1.00 . A A . 19 LYS HA 1 1 8 2738 1 1 19 LYS HB2 H -12.737 3.623 0.781 1.00 . A A . 19 LYS HB2 1 1 8 2739 1 1 19 LYS HB3 H -14.431 3.870 1.150 1.00 . A A . 19 LYS HB3 1 1 8 2740 1 1 19 LYS HD2 H -11.891 2.036 3.253 1.00 . A A . 19 LYS HD2 1 1 8 2741 1 1 19 LYS HD3 H -11.066 3.451 2.604 1.00 . A A . 19 LYS HD3 1 1 8 2742 1 1 19 LYS HE2 H -12.221 3.183 5.375 1.00 . A A . 19 LYS HE2 1 1 8 2743 1 1 19 LYS HE3 H -10.513 3.103 4.948 1.00 . A A . 19 LYS HE3 1 1 8 2744 1 1 19 LYS HG2 H -13.105 4.766 2.926 1.00 . A A . 19 LYS HG2 1 1 8 2745 1 1 19 LYS HG3 H -13.935 3.329 3.517 1.00 . A A . 19 LYS HG3 1 1 8 2746 1 1 19 LYS HZ1 H -12.292 5.466 4.660 1.00 . A A . 19 LYS HZ1 1 1 8 2747 1 1 19 LYS HZ2 H -10.689 5.413 4.140 1.00 . A A . 19 LYS HZ2 1 1 8 2748 1 1 19 LYS HZ3 H -11.051 5.278 5.778 1.00 . A A . 19 LYS HZ3 1 1 8 2749 1 1 19 LYS N N -12.592 1.035 1.082 1.00 . A A . 19 LYS N 1 1 8 2750 1 1 19 LYS NZ N -11.368 5.018 4.821 1.00 . A A . 19 LYS NZ 1 1 8 2751 1 1 19 LYS O O -15.536 0.785 -0.134 1.00 . A A . 19 LYS O 1 1 8 2752 1 1 19 LYS OXT O -14.338 2.341 -1.103 1.00 . A A . 19 LYS OXT 1 1 9 2753 1 1 1 PRO C C 14.113 0.642 0.843 1.00 . A A . 1 PRO C 1 1 9 2754 1 1 1 PRO CA C 15.383 -0.049 1.262 1.00 . A A . 1 PRO CA 1 1 9 2755 1 1 1 PRO CB C 15.111 -1.498 1.632 1.00 . A A . 1 PRO CB 1 1 9 2756 1 1 1 PRO CD C 15.833 -0.290 3.592 1.00 . A A . 1 PRO CD 1 1 9 2757 1 1 1 PRO CG C 15.793 -1.666 2.955 1.00 . A A . 1 PRO CG 1 1 9 2758 1 1 1 PRO H2 H 16.803 0.169 2.750 1.00 . A A . 1 PRO H2 1 1 9 2759 1 1 1 PRO H3 H 15.249 0.891 3.128 1.00 . A A . 1 PRO H3 1 1 9 2760 1 1 1 PRO HA H 16.091 -0.015 0.446 1.00 . A A . 1 PRO HA 1 1 9 2761 1 1 1 PRO HB2 H 14.045 -1.661 1.700 1.00 . A A . 1 PRO HB2 1 1 9 2762 1 1 1 PRO HB3 H 15.537 -2.151 0.884 1.00 . A A . 1 PRO HB3 1 1 9 2763 1 1 1 PRO HD2 H 14.919 -0.185 4.163 1.00 . A A . 1 PRO HD2 1 1 9 2764 1 1 1 PRO HD3 H 16.670 -0.209 4.271 1.00 . A A . 1 PRO HD3 1 1 9 2765 1 1 1 PRO HG2 H 15.225 -2.349 3.568 1.00 . A A . 1 PRO HG2 1 1 9 2766 1 1 1 PRO HG3 H 16.795 -2.041 2.809 1.00 . A A . 1 PRO HG3 1 1 9 2767 1 1 1 PRO N N 15.943 0.632 2.403 1.00 . A A . 1 PRO N 1 1 9 2768 1 1 1 PRO O O 13.208 0.824 1.655 1.00 . A A . 1 PRO O 1 1 9 2769 1 1 2 MET C C 11.637 0.927 -1.004 1.00 . A A . 2 MET C 1 1 9 2770 1 1 2 MET CA C 12.901 1.747 -0.954 1.00 . A A . 2 MET CA 1 1 9 2771 1 1 2 MET CB C 13.210 2.333 -2.332 1.00 . A A . 2 MET CB 1 1 9 2772 1 1 2 MET CE C 12.860 5.369 -1.436 1.00 . A A . 2 MET CE 1 1 9 2773 1 1 2 MET CG C 14.425 3.247 -2.354 1.00 . A A . 2 MET CG 1 1 9 2774 1 1 2 MET H H 14.732 0.691 -1.041 1.00 . A A . 2 MET H 1 1 9 2775 1 1 2 MET HA H 12.738 2.565 -0.268 1.00 . A A . 2 MET HA 1 1 9 2776 1 1 2 MET HB2 H 13.383 1.520 -3.020 1.00 . A A . 2 MET HB2 1 1 9 2777 1 1 2 MET HB3 H 12.351 2.895 -2.668 1.00 . A A . 2 MET HB3 1 1 9 2778 1 1 2 MET HE1 H 12.918 5.786 -2.431 1.00 . A A . 2 MET HE1 1 1 9 2779 1 1 2 MET HE2 H 12.704 6.161 -0.719 1.00 . A A . 2 MET HE2 1 1 9 2780 1 1 2 MET HE3 H 12.034 4.676 -1.382 1.00 . A A . 2 MET HE3 1 1 9 2781 1 1 2 MET HG2 H 15.314 2.648 -2.224 1.00 . A A . 2 MET HG2 1 1 9 2782 1 1 2 MET HG3 H 14.462 3.744 -3.312 1.00 . A A . 2 MET HG3 1 1 9 2783 1 1 2 MET N N 14.023 0.982 -0.427 1.00 . A A . 2 MET N 1 1 9 2784 1 1 2 MET O O 10.538 1.471 -0.978 1.00 . A A . 2 MET O 1 1 9 2785 1 1 2 MET SD S 14.386 4.506 -1.050 1.00 . A A . 2 MET SD 1 1 9 2786 1 1 3 LYS C C 9.756 -1.120 0.154 1.00 . A A . 3 LYS C 1 1 9 2787 1 1 3 LYS CA C 10.675 -1.329 -1.045 1.00 . A A . 3 LYS CA 1 1 9 2788 1 1 3 LYS CB C 11.180 -2.767 -1.064 1.00 . A A . 3 LYS CB 1 1 9 2789 1 1 3 LYS CD C 12.430 -4.554 -2.285 1.00 . A A . 3 LYS CD 1 1 9 2790 1 1 3 LYS CE C 13.205 -4.879 -3.542 1.00 . A A . 3 LYS CE 1 1 9 2791 1 1 3 LYS CG C 11.975 -3.112 -2.300 1.00 . A A . 3 LYS CG 1 1 9 2792 1 1 3 LYS H H 12.718 -0.733 -1.069 1.00 . A A . 3 LYS H 1 1 9 2793 1 1 3 LYS HA H 10.108 -1.148 -1.946 1.00 . A A . 3 LYS HA 1 1 9 2794 1 1 3 LYS HB2 H 11.811 -2.922 -0.202 1.00 . A A . 3 LYS HB2 1 1 9 2795 1 1 3 LYS HB3 H 10.336 -3.440 -1.002 1.00 . A A . 3 LYS HB3 1 1 9 2796 1 1 3 LYS HD2 H 13.061 -4.721 -1.426 1.00 . A A . 3 LYS HD2 1 1 9 2797 1 1 3 LYS HD3 H 11.564 -5.196 -2.231 1.00 . A A . 3 LYS HD3 1 1 9 2798 1 1 3 LYS HE2 H 12.561 -4.724 -4.395 1.00 . A A . 3 LYS HE2 1 1 9 2799 1 1 3 LYS HE3 H 14.053 -4.214 -3.609 1.00 . A A . 3 LYS HE3 1 1 9 2800 1 1 3 LYS HG2 H 11.359 -2.945 -3.169 1.00 . A A . 3 LYS HG2 1 1 9 2801 1 1 3 LYS HG3 H 12.840 -2.469 -2.350 1.00 . A A . 3 LYS HG3 1 1 9 2802 1 1 3 LYS HZ1 H 14.198 -6.465 -4.441 1.00 . A A . 3 LYS HZ1 1 1 9 2803 1 1 3 LYS HZ2 H 12.883 -6.936 -3.503 1.00 . A A . 3 LYS HZ2 1 1 9 2804 1 1 3 LYS HZ3 H 14.318 -6.460 -2.762 1.00 . A A . 3 LYS HZ3 1 1 9 2805 1 1 3 LYS N N 11.801 -0.388 -1.032 1.00 . A A . 3 LYS N 1 1 9 2806 1 1 3 LYS NZ N 13.681 -6.272 -3.559 1.00 . A A . 3 LYS NZ 1 1 9 2807 1 1 3 LYS O O 8.549 -1.290 0.060 1.00 . A A . 3 LYS O 1 1 9 2808 1 1 4 LEU C C 8.664 0.745 2.315 1.00 . A A . 4 LEU C 1 1 9 2809 1 1 4 LEU CA C 9.583 -0.471 2.478 1.00 . A A . 4 LEU CA 1 1 9 2810 1 1 4 LEU CB C 10.529 -0.260 3.662 1.00 . A A . 4 LEU CB 1 1 9 2811 1 1 4 LEU CD1 C 12.413 -1.010 5.122 1.00 . A A . 4 LEU CD1 1 1 9 2812 1 1 4 LEU CD2 C 11.017 -2.729 3.980 1.00 . A A . 4 LEU CD2 1 1 9 2813 1 1 4 LEU CG C 11.611 -1.329 3.884 1.00 . A A . 4 LEU CG 1 1 9 2814 1 1 4 LEU H H 11.298 -0.512 1.252 1.00 . A A . 4 LEU H 1 1 9 2815 1 1 4 LEU HA H 8.976 -1.345 2.661 1.00 . A A . 4 LEU HA 1 1 9 2816 1 1 4 LEU HB2 H 11.023 0.692 3.529 1.00 . A A . 4 LEU HB2 1 1 9 2817 1 1 4 LEU HB3 H 9.930 -0.202 4.558 1.00 . A A . 4 LEU HB3 1 1 9 2818 1 1 4 LEU HD11 H 13.169 -1.768 5.262 1.00 . A A . 4 LEU HD11 1 1 9 2819 1 1 4 LEU HD12 H 11.758 -0.991 5.981 1.00 . A A . 4 LEU HD12 1 1 9 2820 1 1 4 LEU HD13 H 12.885 -0.046 5.008 1.00 . A A . 4 LEU HD13 1 1 9 2821 1 1 4 LEU HD21 H 10.315 -2.766 4.801 1.00 . A A . 4 LEU HD21 1 1 9 2822 1 1 4 LEU HD22 H 11.809 -3.443 4.152 1.00 . A A . 4 LEU HD22 1 1 9 2823 1 1 4 LEU HD23 H 10.508 -2.971 3.059 1.00 . A A . 4 LEU HD23 1 1 9 2824 1 1 4 LEU HG H 12.291 -1.303 3.045 1.00 . A A . 4 LEU HG 1 1 9 2825 1 1 4 LEU N N 10.335 -0.692 1.262 1.00 . A A . 4 LEU N 1 1 9 2826 1 1 4 LEU O O 7.533 0.761 2.818 1.00 . A A . 4 LEU O 1 1 9 2827 1 1 5 LEU C C 7.302 2.688 0.288 1.00 . A A . 5 LEU C 1 1 9 2828 1 1 5 LEU CA C 8.387 2.956 1.317 1.00 . A A . 5 LEU CA 1 1 9 2829 1 1 5 LEU CB C 9.295 4.122 0.842 1.00 . A A . 5 LEU CB 1 1 9 2830 1 1 5 LEU CD1 C 9.643 5.183 3.128 1.00 . A A . 5 LEU CD1 1 1 9 2831 1 1 5 LEU CD2 C 11.458 3.766 2.148 1.00 . A A . 5 LEU CD2 1 1 9 2832 1 1 5 LEU CG C 10.315 4.717 1.849 1.00 . A A . 5 LEU CG 1 1 9 2833 1 1 5 LEU H H 10.023 1.635 1.157 1.00 . A A . 5 LEU H 1 1 9 2834 1 1 5 LEU HA H 7.906 3.235 2.243 1.00 . A A . 5 LEU HA 1 1 9 2835 1 1 5 LEU HB2 H 9.851 3.772 -0.015 1.00 . A A . 5 LEU HB2 1 1 9 2836 1 1 5 LEU HB3 H 8.647 4.921 0.514 1.00 . A A . 5 LEU HB3 1 1 9 2837 1 1 5 LEU HD11 H 8.903 5.933 2.897 1.00 . A A . 5 LEU HD11 1 1 9 2838 1 1 5 LEU HD12 H 10.388 5.609 3.785 1.00 . A A . 5 LEU HD12 1 1 9 2839 1 1 5 LEU HD13 H 9.171 4.346 3.620 1.00 . A A . 5 LEU HD13 1 1 9 2840 1 1 5 LEU HD21 H 11.065 2.833 2.525 1.00 . A A . 5 LEU HD21 1 1 9 2841 1 1 5 LEU HD22 H 12.101 4.211 2.893 1.00 . A A . 5 LEU HD22 1 1 9 2842 1 1 5 LEU HD23 H 12.024 3.587 1.247 1.00 . A A . 5 LEU HD23 1 1 9 2843 1 1 5 LEU HG H 10.729 5.604 1.391 1.00 . A A . 5 LEU HG 1 1 9 2844 1 1 5 LEU N N 9.139 1.733 1.572 1.00 . A A . 5 LEU N 1 1 9 2845 1 1 5 LEU O O 6.231 3.296 0.324 1.00 . A A . 5 LEU O 1 1 9 2846 1 1 6 LYS C C 5.357 0.772 -0.947 1.00 . A A . 6 LYS C 1 1 9 2847 1 1 6 LYS CA C 6.607 1.325 -1.624 1.00 . A A . 6 LYS CA 1 1 9 2848 1 1 6 LYS CB C 7.188 0.251 -2.552 1.00 . A A . 6 LYS CB 1 1 9 2849 1 1 6 LYS CD C 8.078 1.891 -4.249 1.00 . A A . 6 LYS CD 1 1 9 2850 1 1 6 LYS CE C 9.152 2.114 -5.304 1.00 . A A . 6 LYS CE 1 1 9 2851 1 1 6 LYS CG C 8.382 0.672 -3.395 1.00 . A A . 6 LYS CG 1 1 9 2852 1 1 6 LYS H H 8.472 1.341 -0.606 1.00 . A A . 6 LYS H 1 1 9 2853 1 1 6 LYS HA H 6.335 2.191 -2.207 1.00 . A A . 6 LYS HA 1 1 9 2854 1 1 6 LYS HB2 H 7.501 -0.583 -1.943 1.00 . A A . 6 LYS HB2 1 1 9 2855 1 1 6 LYS HB3 H 6.408 -0.090 -3.217 1.00 . A A . 6 LYS HB3 1 1 9 2856 1 1 6 LYS HD2 H 7.123 1.752 -4.732 1.00 . A A . 6 LYS HD2 1 1 9 2857 1 1 6 LYS HD3 H 8.030 2.759 -3.608 1.00 . A A . 6 LYS HD3 1 1 9 2858 1 1 6 LYS HE2 H 8.968 3.059 -5.791 1.00 . A A . 6 LYS HE2 1 1 9 2859 1 1 6 LYS HE3 H 10.114 2.141 -4.817 1.00 . A A . 6 LYS HE3 1 1 9 2860 1 1 6 LYS HG2 H 9.211 0.901 -2.742 1.00 . A A . 6 LYS HG2 1 1 9 2861 1 1 6 LYS HG3 H 8.647 -0.151 -4.041 1.00 . A A . 6 LYS HG3 1 1 9 2862 1 1 6 LYS HZ1 H 8.273 1.038 -6.876 1.00 . A A . 6 LYS HZ1 1 1 9 2863 1 1 6 LYS HZ2 H 9.231 0.098 -5.887 1.00 . A A . 6 LYS HZ2 1 1 9 2864 1 1 6 LYS HZ3 H 9.946 1.134 -6.997 1.00 . A A . 6 LYS HZ3 1 1 9 2865 1 1 6 LYS N N 7.578 1.746 -0.613 1.00 . A A . 6 LYS N 1 1 9 2866 1 1 6 LYS NZ N 9.157 1.035 -6.329 1.00 . A A . 6 LYS NZ 1 1 9 2867 1 1 6 LYS O O 4.230 0.990 -1.411 1.00 . A A . 6 LYS O 1 1 9 2868 1 1 7 ARG C C 3.587 0.569 1.521 1.00 . A A . 7 ARG C 1 1 9 2869 1 1 7 ARG CA C 4.493 -0.503 0.951 1.00 . A A . 7 ARG CA 1 1 9 2870 1 1 7 ARG CB C 5.045 -1.328 2.097 1.00 . A A . 7 ARG CB 1 1 9 2871 1 1 7 ARG CD C 6.432 -3.244 2.856 1.00 . A A . 7 ARG CD 1 1 9 2872 1 1 7 ARG CG C 5.978 -2.431 1.673 1.00 . A A . 7 ARG CG 1 1 9 2873 1 1 7 ARG CZ C 7.649 -2.902 4.990 1.00 . A A . 7 ARG CZ 1 1 9 2874 1 1 7 ARG H H 6.503 -0.046 0.437 1.00 . A A . 7 ARG H 1 1 9 2875 1 1 7 ARG HA H 3.919 -1.148 0.303 1.00 . A A . 7 ARG HA 1 1 9 2876 1 1 7 ARG HB2 H 5.583 -0.669 2.761 1.00 . A A . 7 ARG HB2 1 1 9 2877 1 1 7 ARG HB3 H 4.219 -1.765 2.638 1.00 . A A . 7 ARG HB3 1 1 9 2878 1 1 7 ARG HD2 H 5.593 -3.790 3.259 1.00 . A A . 7 ARG HD2 1 1 9 2879 1 1 7 ARG HD3 H 7.182 -3.938 2.508 1.00 . A A . 7 ARG HD3 1 1 9 2880 1 1 7 ARG HE H 6.925 -1.446 3.788 1.00 . A A . 7 ARG HE 1 1 9 2881 1 1 7 ARG HG2 H 5.457 -3.080 0.985 1.00 . A A . 7 ARG HG2 1 1 9 2882 1 1 7 ARG HG3 H 6.839 -1.998 1.186 1.00 . A A . 7 ARG HG3 1 1 9 2883 1 1 7 ARG HH11 H 7.471 -4.875 4.451 1.00 . A A . 7 ARG HH11 1 1 9 2884 1 1 7 ARG HH12 H 8.275 -4.620 5.921 1.00 . A A . 7 ARG HH12 1 1 9 2885 1 1 7 ARG HH21 H 8.046 -1.079 5.853 1.00 . A A . 7 ARG HH21 1 1 9 2886 1 1 7 ARG HH22 H 8.615 -2.412 6.722 1.00 . A A . 7 ARG HH22 1 1 9 2887 1 1 7 ARG N N 5.571 0.086 0.164 1.00 . A A . 7 ARG N 1 1 9 2888 1 1 7 ARG NE N 7.027 -2.414 3.916 1.00 . A A . 7 ARG NE 1 1 9 2889 1 1 7 ARG NH1 N 7.804 -4.215 5.130 1.00 . A A . 7 ARG NH1 1 1 9 2890 1 1 7 ARG NH2 N 8.126 -2.077 5.911 1.00 . A A . 7 ARG NH2 1 1 9 2891 1 1 7 ARG O O 2.400 0.353 1.691 1.00 . A A . 7 ARG O 1 1 9 2892 1 1 8 LEU C C 2.390 3.342 1.299 1.00 . A A . 8 LEU C 1 1 9 2893 1 1 8 LEU CA C 3.374 2.839 2.341 1.00 . A A . 8 LEU CA 1 1 9 2894 1 1 8 LEU CB C 4.286 3.973 2.813 1.00 . A A . 8 LEU CB 1 1 9 2895 1 1 8 LEU CD1 C 6.155 4.826 4.239 1.00 . A A . 8 LEU CD1 1 1 9 2896 1 1 8 LEU CD2 C 4.622 3.089 5.146 1.00 . A A . 8 LEU CD2 1 1 9 2897 1 1 8 LEU CG C 5.312 3.618 3.898 1.00 . A A . 8 LEU CG 1 1 9 2898 1 1 8 LEU H H 5.095 1.872 1.586 1.00 . A A . 8 LEU H 1 1 9 2899 1 1 8 LEU HA H 2.812 2.457 3.181 1.00 . A A . 8 LEU HA 1 1 9 2900 1 1 8 LEU HB2 H 4.825 4.345 1.954 1.00 . A A . 8 LEU HB2 1 1 9 2901 1 1 8 LEU HB3 H 3.658 4.765 3.191 1.00 . A A . 8 LEU HB3 1 1 9 2902 1 1 8 LEU HD11 H 6.873 4.561 5.001 1.00 . A A . 8 LEU HD11 1 1 9 2903 1 1 8 LEU HD12 H 5.517 5.616 4.607 1.00 . A A . 8 LEU HD12 1 1 9 2904 1 1 8 LEU HD13 H 6.676 5.165 3.357 1.00 . A A . 8 LEU HD13 1 1 9 2905 1 1 8 LEU HD21 H 3.926 3.827 5.516 1.00 . A A . 8 LEU HD21 1 1 9 2906 1 1 8 LEU HD22 H 5.366 2.891 5.904 1.00 . A A . 8 LEU HD22 1 1 9 2907 1 1 8 LEU HD23 H 4.096 2.175 4.915 1.00 . A A . 8 LEU HD23 1 1 9 2908 1 1 8 LEU HG H 5.969 2.848 3.519 1.00 . A A . 8 LEU HG 1 1 9 2909 1 1 8 LEU N N 4.145 1.737 1.789 1.00 . A A . 8 LEU N 1 1 9 2910 1 1 8 LEU O O 1.269 3.747 1.625 1.00 . A A . 8 LEU O 1 1 9 2911 1 1 9 GLY C C 0.951 2.550 -1.328 1.00 . A A . 9 GLY C 1 1 9 2912 1 1 9 GLY CA C 1.946 3.646 -1.044 1.00 . A A . 9 GLY CA 1 1 9 2913 1 1 9 GLY H H 3.726 2.987 -0.130 1.00 . A A . 9 GLY H 1 1 9 2914 1 1 9 GLY HA2 H 1.413 4.547 -0.783 1.00 . A A . 9 GLY HA2 1 1 9 2915 1 1 9 GLY HA3 H 2.541 3.817 -1.929 1.00 . A A . 9 GLY HA3 1 1 9 2916 1 1 9 GLY N N 2.807 3.280 0.049 1.00 . A A . 9 GLY N 1 1 9 2917 1 1 9 GLY O O -0.182 2.809 -1.747 1.00 . A A . 9 GLY O 1 1 9 2918 1 1 10 LYS C C -0.610 0.135 -0.231 1.00 . A A . 10 LYS C 1 1 9 2919 1 1 10 LYS CA C 0.509 0.174 -1.280 1.00 . A A . 10 LYS CA 1 1 9 2920 1 1 10 LYS CB C 1.317 -1.136 -1.295 1.00 . A A . 10 LYS CB 1 1 9 2921 1 1 10 LYS CD C 1.304 -3.631 -1.680 1.00 . A A . 10 LYS CD 1 1 9 2922 1 1 10 LYS CE C 0.415 -4.838 -1.940 1.00 . A A . 10 LYS CE 1 1 9 2923 1 1 10 LYS CG C 0.473 -2.365 -1.602 1.00 . A A . 10 LYS CG 1 1 9 2924 1 1 10 LYS H H 2.281 1.190 -0.755 1.00 . A A . 10 LYS H 1 1 9 2925 1 1 10 LYS HA H 0.046 0.309 -2.246 1.00 . A A . 10 LYS HA 1 1 9 2926 1 1 10 LYS HB2 H 2.094 -1.059 -2.041 1.00 . A A . 10 LYS HB2 1 1 9 2927 1 1 10 LYS HB3 H 1.772 -1.270 -0.325 1.00 . A A . 10 LYS HB3 1 1 9 2928 1 1 10 LYS HD2 H 2.018 -3.535 -2.484 1.00 . A A . 10 LYS HD2 1 1 9 2929 1 1 10 LYS HD3 H 1.824 -3.768 -0.743 1.00 . A A . 10 LYS HD3 1 1 9 2930 1 1 10 LYS HE2 H -0.279 -4.935 -1.119 1.00 . A A . 10 LYS HE2 1 1 9 2931 1 1 10 LYS HE3 H -0.139 -4.667 -2.852 1.00 . A A . 10 LYS HE3 1 1 9 2932 1 1 10 LYS HG2 H -0.264 -2.484 -0.823 1.00 . A A . 10 LYS HG2 1 1 9 2933 1 1 10 LYS HG3 H -0.030 -2.214 -2.546 1.00 . A A . 10 LYS HG3 1 1 9 2934 1 1 10 LYS HZ1 H 0.539 -6.892 -2.217 1.00 . A A . 10 LYS HZ1 1 1 9 2935 1 1 10 LYS HZ2 H 1.751 -6.302 -1.222 1.00 . A A . 10 LYS HZ2 1 1 9 2936 1 1 10 LYS HZ3 H 1.821 -6.050 -2.884 1.00 . A A . 10 LYS HZ3 1 1 9 2937 1 1 10 LYS N N 1.362 1.320 -1.074 1.00 . A A . 10 LYS N 1 1 9 2938 1 1 10 LYS NZ N 1.183 -6.089 -2.066 1.00 . A A . 10 LYS NZ 1 1 9 2939 1 1 10 LYS O O -1.734 -0.251 -0.538 1.00 . A A . 10 LYS O 1 1 9 2940 1 1 11 LYS C C -2.501 1.541 1.618 1.00 . A A . 11 LYS C 1 1 9 2941 1 1 11 LYS CA C -1.358 0.630 2.044 1.00 . A A . 11 LYS CA 1 1 9 2942 1 1 11 LYS CB C -0.823 1.112 3.399 1.00 . A A . 11 LYS CB 1 1 9 2943 1 1 11 LYS CD C 0.473 0.632 5.507 1.00 . A A . 11 LYS CD 1 1 9 2944 1 1 11 LYS CE C 0.922 2.081 5.633 1.00 . A A . 11 LYS CE 1 1 9 2945 1 1 11 LYS CG C 0.224 0.220 4.052 1.00 . A A . 11 LYS CG 1 1 9 2946 1 1 11 LYS H H 0.609 0.820 1.211 1.00 . A A . 11 LYS H 1 1 9 2947 1 1 11 LYS HA H -1.752 -0.369 2.153 1.00 . A A . 11 LYS HA 1 1 9 2948 1 1 11 LYS HB2 H -0.382 2.086 3.250 1.00 . A A . 11 LYS HB2 1 1 9 2949 1 1 11 LYS HB3 H -1.658 1.214 4.078 1.00 . A A . 11 LYS HB3 1 1 9 2950 1 1 11 LYS HD2 H -0.441 0.506 6.069 1.00 . A A . 11 LYS HD2 1 1 9 2951 1 1 11 LYS HD3 H 1.235 -0.011 5.922 1.00 . A A . 11 LYS HD3 1 1 9 2952 1 1 11 LYS HE2 H 1.882 2.194 5.153 1.00 . A A . 11 LYS HE2 1 1 9 2953 1 1 11 LYS HE3 H 0.199 2.713 5.140 1.00 . A A . 11 LYS HE3 1 1 9 2954 1 1 11 LYS HG2 H -0.126 -0.802 4.032 1.00 . A A . 11 LYS HG2 1 1 9 2955 1 1 11 LYS HG3 H 1.148 0.299 3.498 1.00 . A A . 11 LYS HG3 1 1 9 2956 1 1 11 LYS HZ1 H 1.344 3.501 7.110 1.00 . A A . 11 LYS HZ1 1 1 9 2957 1 1 11 LYS HZ2 H 1.737 1.943 7.571 1.00 . A A . 11 LYS HZ2 1 1 9 2958 1 1 11 LYS HZ3 H 0.132 2.432 7.539 1.00 . A A . 11 LYS HZ3 1 1 9 2959 1 1 11 LYS N N -0.320 0.573 1.000 1.00 . A A . 11 LYS N 1 1 9 2960 1 1 11 LYS NZ N 1.044 2.506 7.042 1.00 . A A . 11 LYS NZ 1 1 9 2961 1 1 11 LYS O O -3.652 1.329 2.005 1.00 . A A . 11 LYS O 1 1 9 2962 1 1 12 ILE C C -4.180 2.751 -0.592 1.00 . A A . 12 ILE C 1 1 9 2963 1 1 12 ILE CA C -3.144 3.476 0.276 1.00 . A A . 12 ILE CA 1 1 9 2964 1 1 12 ILE CB C -2.455 4.603 -0.549 1.00 . A A . 12 ILE CB 1 1 9 2965 1 1 12 ILE CD1 C -0.677 6.453 -0.408 1.00 . A A . 12 ILE CD1 1 1 9 2966 1 1 12 ILE CG1 C -1.443 5.366 0.327 1.00 . A A . 12 ILE CG1 1 1 9 2967 1 1 12 ILE CG2 C -3.488 5.562 -1.133 1.00 . A A . 12 ILE CG2 1 1 9 2968 1 1 12 ILE H H -1.235 2.614 0.524 1.00 . A A . 12 ILE H 1 1 9 2969 1 1 12 ILE HA H -3.653 3.921 1.119 1.00 . A A . 12 ILE HA 1 1 9 2970 1 1 12 ILE HB H -1.924 4.141 -1.368 1.00 . A A . 12 ILE HB 1 1 9 2971 1 1 12 ILE HD11 H -1.371 7.192 -0.781 1.00 . A A . 12 ILE HD11 1 1 9 2972 1 1 12 ILE HD12 H -0.140 6.020 -1.238 1.00 . A A . 12 ILE HD12 1 1 9 2973 1 1 12 ILE HD13 H 0.021 6.924 0.268 1.00 . A A . 12 ILE HD13 1 1 9 2974 1 1 12 ILE HG12 H -1.968 5.836 1.144 1.00 . A A . 12 ILE HG12 1 1 9 2975 1 1 12 ILE HG13 H -0.727 4.664 0.725 1.00 . A A . 12 ILE HG13 1 1 9 2976 1 1 12 ILE HG21 H -4.169 5.019 -1.773 1.00 . A A . 12 ILE HG21 1 1 9 2977 1 1 12 ILE HG22 H -2.987 6.325 -1.707 1.00 . A A . 12 ILE HG22 1 1 9 2978 1 1 12 ILE HG23 H -4.042 6.022 -0.328 1.00 . A A . 12 ILE HG23 1 1 9 2979 1 1 12 ILE N N -2.174 2.530 0.794 1.00 . A A . 12 ILE N 1 1 9 2980 1 1 12 ILE O O -5.386 2.912 -0.396 1.00 . A A . 12 ILE O 1 1 9 2981 1 1 13 ARG C C -5.455 0.152 -1.600 1.00 . A A . 13 ARG C 1 1 9 2982 1 1 13 ARG CA C -4.641 1.176 -2.388 1.00 . A A . 13 ARG CA 1 1 9 2983 1 1 13 ARG CB C -3.971 0.527 -3.615 1.00 . A A . 13 ARG CB 1 1 9 2984 1 1 13 ARG CD C -2.538 -1.286 -4.564 1.00 . A A . 13 ARG CD 1 1 9 2985 1 1 13 ARG CG C -2.905 -0.509 -3.317 1.00 . A A . 13 ARG CG 1 1 9 2986 1 1 13 ARG CZ C -3.821 -2.583 -6.268 1.00 . A A . 13 ARG CZ 1 1 9 2987 1 1 13 ARG H H -2.743 1.783 -1.605 1.00 . A A . 13 ARG H 1 1 9 2988 1 1 13 ARG HA H -5.354 1.913 -2.731 1.00 . A A . 13 ARG HA 1 1 9 2989 1 1 13 ARG HB2 H -4.732 0.041 -4.208 1.00 . A A . 13 ARG HB2 1 1 9 2990 1 1 13 ARG HB3 H -3.522 1.309 -4.211 1.00 . A A . 13 ARG HB3 1 1 9 2991 1 1 13 ARG HD2 H -2.210 -0.598 -5.328 1.00 . A A . 13 ARG HD2 1 1 9 2992 1 1 13 ARG HD3 H -1.746 -1.981 -4.325 1.00 . A A . 13 ARG HD3 1 1 9 2993 1 1 13 ARG HE H -4.419 -2.121 -4.404 1.00 . A A . 13 ARG HE 1 1 9 2994 1 1 13 ARG HG2 H -2.026 -0.010 -2.935 1.00 . A A . 13 ARG HG2 1 1 9 2995 1 1 13 ARG HG3 H -3.285 -1.193 -2.573 1.00 . A A . 13 ARG HG3 1 1 9 2996 1 1 13 ARG HH11 H -1.994 -1.993 -7.000 1.00 . A A . 13 ARG HH11 1 1 9 2997 1 1 13 ARG HH12 H -2.938 -2.890 -8.084 1.00 . A A . 13 ARG HH12 1 1 9 2998 1 1 13 ARG HH21 H -5.686 -3.345 -5.915 1.00 . A A . 13 ARG HH21 1 1 9 2999 1 1 13 ARG HH22 H -5.083 -3.651 -7.472 1.00 . A A . 13 ARG HH22 1 1 9 3000 1 1 13 ARG N N -3.712 1.906 -1.518 1.00 . A A . 13 ARG N 1 1 9 3001 1 1 13 ARG NE N -3.690 -2.037 -5.059 1.00 . A A . 13 ARG NE 1 1 9 3002 1 1 13 ARG NH1 N -2.852 -2.480 -7.171 1.00 . A A . 13 ARG NH1 1 1 9 3003 1 1 13 ARG NH2 N -4.932 -3.241 -6.567 1.00 . A A . 13 ARG NH2 1 1 9 3004 1 1 13 ARG O O -6.602 -0.132 -1.940 1.00 . A A . 13 ARG O 1 1 9 3005 1 1 14 LEU C C -6.681 -0.572 1.095 1.00 . A A . 14 LEU C 1 1 9 3006 1 1 14 LEU CA C -5.592 -1.311 0.338 1.00 . A A . 14 LEU CA 1 1 9 3007 1 1 14 LEU CB C -4.665 -2.051 1.332 1.00 . A A . 14 LEU CB 1 1 9 3008 1 1 14 LEU CD1 C -5.014 -4.396 0.481 1.00 . A A . 14 LEU CD1 1 1 9 3009 1 1 14 LEU CD2 C -3.028 -3.107 -0.291 1.00 . A A . 14 LEU CD2 1 1 9 3010 1 1 14 LEU CG C -3.981 -3.351 0.858 1.00 . A A . 14 LEU CG 1 1 9 3011 1 1 14 LEU H H -3.922 -0.192 -0.365 1.00 . A A . 14 LEU H 1 1 9 3012 1 1 14 LEU HA H -6.075 -2.037 -0.300 1.00 . A A . 14 LEU HA 1 1 9 3013 1 1 14 LEU HB2 H -3.889 -1.362 1.628 1.00 . A A . 14 LEU HB2 1 1 9 3014 1 1 14 LEU HB3 H -5.252 -2.284 2.209 1.00 . A A . 14 LEU HB3 1 1 9 3015 1 1 14 LEU HD11 H -5.620 -4.040 -0.338 1.00 . A A . 14 LEU HD11 1 1 9 3016 1 1 14 LEU HD12 H -5.645 -4.603 1.333 1.00 . A A . 14 LEU HD12 1 1 9 3017 1 1 14 LEU HD13 H -4.506 -5.301 0.185 1.00 . A A . 14 LEU HD13 1 1 9 3018 1 1 14 LEU HD21 H -2.559 -4.037 -0.576 1.00 . A A . 14 LEU HD21 1 1 9 3019 1 1 14 LEU HD22 H -2.274 -2.395 0.013 1.00 . A A . 14 LEU HD22 1 1 9 3020 1 1 14 LEU HD23 H -3.579 -2.710 -1.130 1.00 . A A . 14 LEU HD23 1 1 9 3021 1 1 14 LEU HG H -3.420 -3.753 1.689 1.00 . A A . 14 LEU HG 1 1 9 3022 1 1 14 LEU N N -4.866 -0.397 -0.544 1.00 . A A . 14 LEU N 1 1 9 3023 1 1 14 LEU O O -7.770 -1.093 1.293 1.00 . A A . 14 LEU O 1 1 9 3024 1 1 15 ALA C C -8.483 1.909 1.332 1.00 . A A . 15 ALA C 1 1 9 3025 1 1 15 ALA CA C -7.336 1.462 2.229 1.00 . A A . 15 ALA CA 1 1 9 3026 1 1 15 ALA CB C -6.630 2.661 2.836 1.00 . A A . 15 ALA CB 1 1 9 3027 1 1 15 ALA H H -5.502 1.016 1.286 1.00 . A A . 15 ALA H 1 1 9 3028 1 1 15 ALA HA H -7.737 0.860 3.031 1.00 . A A . 15 ALA HA 1 1 9 3029 1 1 15 ALA HB1 H -7.322 3.220 3.448 1.00 . A A . 15 ALA HB1 1 1 9 3030 1 1 15 ALA HB2 H -6.263 3.294 2.041 1.00 . A A . 15 ALA HB2 1 1 9 3031 1 1 15 ALA HB3 H -5.798 2.328 3.438 1.00 . A A . 15 ALA HB3 1 1 9 3032 1 1 15 ALA N N -6.390 0.648 1.489 1.00 . A A . 15 ALA N 1 1 9 3033 1 1 15 ALA O O -9.660 1.839 1.720 1.00 . A A . 15 ALA O 1 1 9 3034 1 1 16 ALA C C -10.001 1.684 -1.369 1.00 . A A . 16 ALA C 1 1 9 3035 1 1 16 ALA CA C -9.117 2.810 -0.839 1.00 . A A . 16 ALA CA 1 1 9 3036 1 1 16 ALA CB C -8.412 3.505 -1.981 1.00 . A A . 16 ALA CB 1 1 9 3037 1 1 16 ALA H H -7.187 2.349 -0.103 1.00 . A A . 16 ALA H 1 1 9 3038 1 1 16 ALA HA H -9.742 3.536 -0.341 1.00 . A A . 16 ALA HA 1 1 9 3039 1 1 16 ALA HB1 H -7.789 4.296 -1.589 1.00 . A A . 16 ALA HB1 1 1 9 3040 1 1 16 ALA HB2 H -9.144 3.919 -2.659 1.00 . A A . 16 ALA HB2 1 1 9 3041 1 1 16 ALA HB3 H -7.797 2.791 -2.508 1.00 . A A . 16 ALA HB3 1 1 9 3042 1 1 16 ALA N N -8.143 2.331 0.131 1.00 . A A . 16 ALA N 1 1 9 3043 1 1 16 ALA O O -11.146 1.908 -1.751 1.00 . A A . 16 ALA O 1 1 9 3044 1 1 17 ALA C C -11.086 -1.229 -0.748 1.00 . A A . 17 ALA C 1 1 9 3045 1 1 17 ALA CA C -10.237 -0.659 -1.867 1.00 . A A . 17 ALA CA 1 1 9 3046 1 1 17 ALA CB C -9.325 -1.725 -2.436 1.00 . A A . 17 ALA CB 1 1 9 3047 1 1 17 ALA H H -8.538 0.357 -1.130 1.00 . A A . 17 ALA H 1 1 9 3048 1 1 17 ALA HA H -10.894 -0.315 -2.654 1.00 . A A . 17 ALA HA 1 1 9 3049 1 1 17 ALA HB1 H -9.919 -2.534 -2.834 1.00 . A A . 17 ALA HB1 1 1 9 3050 1 1 17 ALA HB2 H -8.680 -2.097 -1.654 1.00 . A A . 17 ALA HB2 1 1 9 3051 1 1 17 ALA HB3 H -8.723 -1.299 -3.224 1.00 . A A . 17 ALA HB3 1 1 9 3052 1 1 17 ALA N N -9.473 0.482 -1.402 1.00 . A A . 17 ALA N 1 1 9 3053 1 1 17 ALA O O -12.100 -1.891 -0.996 1.00 . A A . 17 ALA O 1 1 9 3054 1 1 18 PHE C C -12.706 -0.774 1.807 1.00 . A A . 18 PHE C 1 1 9 3055 1 1 18 PHE CA C -11.364 -1.473 1.645 1.00 . A A . 18 PHE CA 1 1 9 3056 1 1 18 PHE CB C -10.498 -1.313 2.904 1.00 . A A . 18 PHE CB 1 1 9 3057 1 1 18 PHE CD1 C -11.491 -3.158 4.284 1.00 . A A . 18 PHE CD1 1 1 9 3058 1 1 18 PHE CD2 C -11.353 -0.985 5.243 1.00 . A A . 18 PHE CD2 1 1 9 3059 1 1 18 PHE CE1 C -12.062 -3.640 5.439 1.00 . A A . 18 PHE CE1 1 1 9 3060 1 1 18 PHE CE2 C -11.924 -1.459 6.404 1.00 . A A . 18 PHE CE2 1 1 9 3061 1 1 18 PHE CG C -11.130 -1.827 4.169 1.00 . A A . 18 PHE CG 1 1 9 3062 1 1 18 PHE CZ C -12.280 -2.789 6.499 1.00 . A A . 18 PHE CZ 1 1 9 3063 1 1 18 PHE H H -9.842 -0.464 0.603 1.00 . A A . 18 PHE H 1 1 9 3064 1 1 18 PHE HA H -11.550 -2.525 1.486 1.00 . A A . 18 PHE HA 1 1 9 3065 1 1 18 PHE HB2 H -9.574 -1.853 2.761 1.00 . A A . 18 PHE HB2 1 1 9 3066 1 1 18 PHE HB3 H -10.276 -0.266 3.042 1.00 . A A . 18 PHE HB3 1 1 9 3067 1 1 18 PHE HD1 H -11.324 -3.827 3.452 1.00 . A A . 18 PHE HD1 1 1 9 3068 1 1 18 PHE HD2 H -11.073 0.056 5.172 1.00 . A A . 18 PHE HD2 1 1 9 3069 1 1 18 PHE HE1 H -12.339 -4.680 5.513 1.00 . A A . 18 PHE HE1 1 1 9 3070 1 1 18 PHE HE2 H -12.096 -0.791 7.235 1.00 . A A . 18 PHE HE2 1 1 9 3071 1 1 18 PHE HZ H -12.729 -3.164 7.408 1.00 . A A . 18 PHE HZ 1 1 9 3072 1 1 18 PHE N N -10.663 -0.984 0.478 1.00 . A A . 18 PHE N 1 1 9 3073 1 1 18 PHE O O -13.706 -1.413 2.123 1.00 . A A . 18 PHE O 1 1 9 3074 1 1 19 LYS C C -14.846 1.027 0.465 1.00 . A A . 19 LYS C 1 1 9 3075 1 1 19 LYS CA C -13.950 1.265 1.684 1.00 . A A . 19 LYS CA 1 1 9 3076 1 1 19 LYS CB C -13.628 2.730 1.907 1.00 . A A . 19 LYS CB 1 1 9 3077 1 1 19 LYS CD C -12.180 4.651 1.287 1.00 . A A . 19 LYS CD 1 1 9 3078 1 1 19 LYS CE C -13.322 5.641 1.201 1.00 . A A . 19 LYS CE 1 1 9 3079 1 1 19 LYS CG C -12.602 3.272 0.935 1.00 . A A . 19 LYS CG 1 1 9 3080 1 1 19 LYS H H -11.940 1.049 1.328 1.00 . A A . 19 LYS H 1 1 9 3081 1 1 19 LYS HA H -14.466 0.890 2.556 1.00 . A A . 19 LYS HA 1 1 9 3082 1 1 19 LYS HB2 H -14.540 3.297 1.799 1.00 . A A . 19 LYS HB2 1 1 9 3083 1 1 19 LYS HB3 H -13.248 2.861 2.909 1.00 . A A . 19 LYS HB3 1 1 9 3084 1 1 19 LYS HD2 H -11.777 4.645 2.290 1.00 . A A . 19 LYS HD2 1 1 9 3085 1 1 19 LYS HD3 H -11.406 4.904 0.582 1.00 . A A . 19 LYS HD3 1 1 9 3086 1 1 19 LYS HE2 H -14.107 5.342 1.879 1.00 . A A . 19 LYS HE2 1 1 9 3087 1 1 19 LYS HE3 H -12.911 6.580 1.522 1.00 . A A . 19 LYS HE3 1 1 9 3088 1 1 19 LYS HG2 H -11.723 2.645 0.940 1.00 . A A . 19 LYS HG2 1 1 9 3089 1 1 19 LYS HG3 H -13.034 3.278 -0.054 1.00 . A A . 19 LYS HG3 1 1 9 3090 1 1 19 LYS HZ1 H -13.146 6.067 -0.857 1.00 . A A . 19 LYS HZ1 1 1 9 3091 1 1 19 LYS HZ2 H -14.620 6.494 -0.184 1.00 . A A . 19 LYS HZ2 1 1 9 3092 1 1 19 LYS HZ3 H -14.308 4.890 -0.503 1.00 . A A . 19 LYS HZ3 1 1 9 3093 1 1 19 LYS N N -12.735 0.526 1.580 1.00 . A A . 19 LYS N 1 1 9 3094 1 1 19 LYS NZ N -13.871 5.773 -0.173 1.00 . A A . 19 LYS NZ 1 1 9 3095 1 1 19 LYS O O -14.726 1.733 -0.548 1.00 . A A . 19 LYS O 1 1 9 3096 1 1 19 LYS OXT O -15.663 0.096 0.507 1.00 . A A . 19 LYS OXT 1 1 10 3097 1 1 1 PRO C C 13.013 2.437 1.020 1.00 . A A . 1 PRO C 1 1 10 3098 1 1 1 PRO CA C 14.138 2.328 2.068 1.00 . A A . 1 PRO CA 1 1 10 3099 1 1 1 PRO CB C 13.988 3.426 3.118 1.00 . A A . 1 PRO CB 1 1 10 3100 1 1 1 PRO CD C 16.238 3.497 2.212 1.00 . A A . 1 PRO CD 1 1 10 3101 1 1 1 PRO CG C 15.172 4.318 2.916 1.00 . A A . 1 PRO CG 1 1 10 3102 1 1 1 PRO H2 H 15.642 3.328 0.992 1.00 . A A . 1 PRO H2 1 1 10 3103 1 1 1 PRO H3 H 15.459 1.682 0.740 1.00 . A A . 1 PRO H3 1 1 10 3104 1 1 1 PRO HA H 14.052 1.371 2.561 1.00 . A A . 1 PRO HA 1 1 10 3105 1 1 1 PRO HB2 H 13.060 3.953 2.955 1.00 . A A . 1 PRO HB2 1 1 10 3106 1 1 1 PRO HB3 H 13.992 2.989 4.106 1.00 . A A . 1 PRO HB3 1 1 10 3107 1 1 1 PRO HD2 H 16.825 4.155 1.583 1.00 . A A . 1 PRO HD2 1 1 10 3108 1 1 1 PRO HD3 H 16.894 3.105 2.980 1.00 . A A . 1 PRO HD3 1 1 10 3109 1 1 1 PRO HG2 H 14.898 5.175 2.319 1.00 . A A . 1 PRO HG2 1 1 10 3110 1 1 1 PRO HG3 H 15.536 4.653 3.876 1.00 . A A . 1 PRO HG3 1 1 10 3111 1 1 1 PRO N N 15.455 2.425 1.466 1.00 . A A . 1 PRO N 1 1 10 3112 1 1 1 PRO O O 11.858 2.727 1.379 1.00 . A A . 1 PRO O 1 1 10 3113 1 1 2 MET C C 11.178 1.213 -1.132 1.00 . A A . 2 MET C 1 1 10 3114 1 1 2 MET CA C 12.282 2.251 -1.316 1.00 . A A . 2 MET CA 1 1 10 3115 1 1 2 MET CB C 12.863 2.155 -2.750 1.00 . A A . 2 MET CB 1 1 10 3116 1 1 2 MET CE C 12.398 0.741 -5.678 1.00 . A A . 2 MET CE 1 1 10 3117 1 1 2 MET CG C 13.475 0.800 -3.113 1.00 . A A . 2 MET CG 1 1 10 3118 1 1 2 MET H H 14.196 1.806 -0.528 1.00 . A A . 2 MET H 1 1 10 3119 1 1 2 MET HA H 11.831 3.225 -1.186 1.00 . A A . 2 MET HA 1 1 10 3120 1 1 2 MET HB2 H 12.069 2.360 -3.453 1.00 . A A . 2 MET HB2 1 1 10 3121 1 1 2 MET HB3 H 13.626 2.912 -2.863 1.00 . A A . 2 MET HB3 1 1 10 3122 1 1 2 MET HE1 H 11.901 1.673 -5.449 1.00 . A A . 2 MET HE1 1 1 10 3123 1 1 2 MET HE2 H 11.787 -0.085 -5.347 1.00 . A A . 2 MET HE2 1 1 10 3124 1 1 2 MET HE3 H 12.552 0.668 -6.745 1.00 . A A . 2 MET HE3 1 1 10 3125 1 1 2 MET HG2 H 14.339 0.635 -2.489 1.00 . A A . 2 MET HG2 1 1 10 3126 1 1 2 MET HG3 H 12.743 0.031 -2.914 1.00 . A A . 2 MET HG3 1 1 10 3127 1 1 2 MET N N 13.307 2.131 -0.266 1.00 . A A . 2 MET N 1 1 10 3128 1 1 2 MET O O 10.019 1.477 -1.430 1.00 . A A . 2 MET O 1 1 10 3129 1 1 2 MET SD S 13.989 0.680 -4.841 1.00 . A A . 2 MET SD 1 1 10 3130 1 1 3 LYS C C 9.520 -0.605 0.635 1.00 . A A . 3 LYS C 1 1 10 3131 1 1 3 LYS CA C 10.571 -1.030 -0.372 1.00 . A A . 3 LYS CA 1 1 10 3132 1 1 3 LYS CB C 11.259 -2.303 0.119 1.00 . A A . 3 LYS CB 1 1 10 3133 1 1 3 LYS CD C 12.907 -4.136 -0.253 1.00 . A A . 3 LYS CD 1 1 10 3134 1 1 3 LYS CE C 13.990 -4.710 -1.152 1.00 . A A . 3 LYS CE 1 1 10 3135 1 1 3 LYS CG C 12.278 -2.888 -0.842 1.00 . A A . 3 LYS CG 1 1 10 3136 1 1 3 LYS H H 12.473 -0.090 -0.330 1.00 . A A . 3 LYS H 1 1 10 3137 1 1 3 LYS HA H 10.087 -1.234 -1.316 1.00 . A A . 3 LYS HA 1 1 10 3138 1 1 3 LYS HB2 H 11.765 -2.082 1.047 1.00 . A A . 3 LYS HB2 1 1 10 3139 1 1 3 LYS HB3 H 10.503 -3.050 0.309 1.00 . A A . 3 LYS HB3 1 1 10 3140 1 1 3 LYS HD2 H 13.342 -3.868 0.696 1.00 . A A . 3 LYS HD2 1 1 10 3141 1 1 3 LYS HD3 H 12.137 -4.877 -0.100 1.00 . A A . 3 LYS HD3 1 1 10 3142 1 1 3 LYS HE2 H 13.558 -4.946 -2.112 1.00 . A A . 3 LYS HE2 1 1 10 3143 1 1 3 LYS HE3 H 14.761 -3.965 -1.284 1.00 . A A . 3 LYS HE3 1 1 10 3144 1 1 3 LYS HG2 H 11.781 -3.145 -1.766 1.00 . A A . 3 LYS HG2 1 1 10 3145 1 1 3 LYS HG3 H 13.048 -2.156 -1.035 1.00 . A A . 3 LYS HG3 1 1 10 3146 1 1 3 LYS HZ1 H 15.362 -6.290 -1.194 1.00 . A A . 3 LYS HZ1 1 1 10 3147 1 1 3 LYS HZ2 H 13.914 -6.707 -0.470 1.00 . A A . 3 LYS HZ2 1 1 10 3148 1 1 3 LYS HZ3 H 15.023 -5.743 0.350 1.00 . A A . 3 LYS HZ3 1 1 10 3149 1 1 3 LYS N N 11.536 0.049 -0.589 1.00 . A A . 3 LYS N 1 1 10 3150 1 1 3 LYS NZ N 14.600 -5.936 -0.581 1.00 . A A . 3 LYS NZ 1 1 10 3151 1 1 3 LYS O O 8.358 -0.977 0.526 1.00 . A A . 3 LYS O 1 1 10 3152 1 1 4 LEU C C 8.053 1.687 2.022 1.00 . A A . 4 LEU C 1 1 10 3153 1 1 4 LEU CA C 9.048 0.715 2.622 1.00 . A A . 4 LEU CA 1 1 10 3154 1 1 4 LEU CB C 9.845 1.410 3.726 1.00 . A A . 4 LEU CB 1 1 10 3155 1 1 4 LEU CD1 C 11.626 1.409 5.468 1.00 . A A . 4 LEU CD1 1 1 10 3156 1 1 4 LEU CD2 C 10.376 -0.687 5.010 1.00 . A A . 4 LEU CD2 1 1 10 3157 1 1 4 LEU CG C 10.942 0.585 4.405 1.00 . A A . 4 LEU CG 1 1 10 3158 1 1 4 LEU H H 10.871 0.513 1.567 1.00 . A A . 4 LEU H 1 1 10 3159 1 1 4 LEU HA H 8.516 -0.125 3.042 1.00 . A A . 4 LEU HA 1 1 10 3160 1 1 4 LEU HB2 H 10.309 2.284 3.293 1.00 . A A . 4 LEU HB2 1 1 10 3161 1 1 4 LEU HB3 H 9.150 1.737 4.485 1.00 . A A . 4 LEU HB3 1 1 10 3162 1 1 4 LEU HD11 H 10.895 1.719 6.199 1.00 . A A . 4 LEU HD11 1 1 10 3163 1 1 4 LEU HD12 H 12.081 2.279 5.018 1.00 . A A . 4 LEU HD12 1 1 10 3164 1 1 4 LEU HD13 H 12.383 0.812 5.954 1.00 . A A . 4 LEU HD13 1 1 10 3165 1 1 4 LEU HD21 H 11.170 -1.234 5.496 1.00 . A A . 4 LEU HD21 1 1 10 3166 1 1 4 LEU HD22 H 9.947 -1.298 4.229 1.00 . A A . 4 LEU HD22 1 1 10 3167 1 1 4 LEU HD23 H 9.615 -0.435 5.735 1.00 . A A . 4 LEU HD23 1 1 10 3168 1 1 4 LEU HG H 11.684 0.313 3.668 1.00 . A A . 4 LEU HG 1 1 10 3169 1 1 4 LEU N N 9.935 0.223 1.582 1.00 . A A . 4 LEU N 1 1 10 3170 1 1 4 LEU O O 6.887 1.710 2.404 1.00 . A A . 4 LEU O 1 1 10 3171 1 1 5 LEU C C 6.617 2.712 -0.432 1.00 . A A . 5 LEU C 1 1 10 3172 1 1 5 LEU CA C 7.690 3.426 0.362 1.00 . A A . 5 LEU CA 1 1 10 3173 1 1 5 LEU CB C 8.530 4.288 -0.578 1.00 . A A . 5 LEU CB 1 1 10 3174 1 1 5 LEU CD1 C 10.425 5.842 -0.997 1.00 . A A . 5 LEU CD1 1 1 10 3175 1 1 5 LEU CD2 C 9.064 6.101 1.065 1.00 . A A . 5 LEU CD2 1 1 10 3176 1 1 5 LEU CG C 9.639 5.113 0.067 1.00 . A A . 5 LEU CG 1 1 10 3177 1 1 5 LEU H H 9.459 2.358 0.784 1.00 . A A . 5 LEU H 1 1 10 3178 1 1 5 LEU HA H 7.220 4.060 1.099 1.00 . A A . 5 LEU HA 1 1 10 3179 1 1 5 LEU HB2 H 8.981 3.638 -1.312 1.00 . A A . 5 LEU HB2 1 1 10 3180 1 1 5 LEU HB3 H 7.865 4.967 -1.092 1.00 . A A . 5 LEU HB3 1 1 10 3181 1 1 5 LEU HD11 H 11.196 6.437 -0.532 1.00 . A A . 5 LEU HD11 1 1 10 3182 1 1 5 LEU HD12 H 9.763 6.481 -1.560 1.00 . A A . 5 LEU HD12 1 1 10 3183 1 1 5 LEU HD13 H 10.880 5.124 -1.664 1.00 . A A . 5 LEU HD13 1 1 10 3184 1 1 5 LEU HD21 H 9.869 6.677 1.497 1.00 . A A . 5 LEU HD21 1 1 10 3185 1 1 5 LEU HD22 H 8.549 5.564 1.847 1.00 . A A . 5 LEU HD22 1 1 10 3186 1 1 5 LEU HD23 H 8.374 6.763 0.566 1.00 . A A . 5 LEU HD23 1 1 10 3187 1 1 5 LEU HG H 10.316 4.452 0.590 1.00 . A A . 5 LEU HG 1 1 10 3188 1 1 5 LEU N N 8.521 2.456 1.050 1.00 . A A . 5 LEU N 1 1 10 3189 1 1 5 LEU O O 5.446 3.087 -0.393 1.00 . A A . 5 LEU O 1 1 10 3190 1 1 6 LYS C C 5.138 0.118 -1.022 1.00 . A A . 6 LYS C 1 1 10 3191 1 1 6 LYS CA C 6.092 0.899 -1.928 1.00 . A A . 6 LYS CA 1 1 10 3192 1 1 6 LYS CB C 6.875 -0.029 -2.819 1.00 . A A . 6 LYS CB 1 1 10 3193 1 1 6 LYS CD C 8.753 -0.245 -4.452 1.00 . A A . 6 LYS CD 1 1 10 3194 1 1 6 LYS CE C 7.938 -0.794 -5.588 1.00 . A A . 6 LYS CE 1 1 10 3195 1 1 6 LYS CG C 7.952 0.698 -3.610 1.00 . A A . 6 LYS CG 1 1 10 3196 1 1 6 LYS H H 7.961 1.406 -1.212 1.00 . A A . 6 LYS H 1 1 10 3197 1 1 6 LYS HA H 5.521 1.576 -2.546 1.00 . A A . 6 LYS HA 1 1 10 3198 1 1 6 LYS HB2 H 7.339 -0.790 -2.212 1.00 . A A . 6 LYS HB2 1 1 10 3199 1 1 6 LYS HB3 H 6.193 -0.489 -3.517 1.00 . A A . 6 LYS HB3 1 1 10 3200 1 1 6 LYS HD2 H 9.604 0.283 -4.854 1.00 . A A . 6 LYS HD2 1 1 10 3201 1 1 6 LYS HD3 H 9.094 -1.063 -3.833 1.00 . A A . 6 LYS HD3 1 1 10 3202 1 1 6 LYS HE2 H 8.555 -1.562 -6.011 1.00 . A A . 6 LYS HE2 1 1 10 3203 1 1 6 LYS HE3 H 7.033 -1.239 -5.205 1.00 . A A . 6 LYS HE3 1 1 10 3204 1 1 6 LYS HG2 H 7.485 1.425 -4.255 1.00 . A A . 6 LYS HG2 1 1 10 3205 1 1 6 LYS HG3 H 8.611 1.205 -2.921 1.00 . A A . 6 LYS HG3 1 1 10 3206 1 1 6 LYS HZ1 H 7.028 -0.130 -7.370 1.00 . A A . 6 LYS HZ1 1 1 10 3207 1 1 6 LYS HZ2 H 8.481 0.616 -7.025 1.00 . A A . 6 LYS HZ2 1 1 10 3208 1 1 6 LYS HZ3 H 7.108 1.061 -6.188 1.00 . A A . 6 LYS HZ3 1 1 10 3209 1 1 6 LYS N N 7.013 1.670 -1.147 1.00 . A A . 6 LYS N 1 1 10 3210 1 1 6 LYS NZ N 7.609 0.245 -6.594 1.00 . A A . 6 LYS NZ 1 1 10 3211 1 1 6 LYS O O 3.981 -0.101 -1.378 1.00 . A A . 6 LYS O 1 1 10 3212 1 1 7 ARG C C 3.746 -0.011 1.675 1.00 . A A . 7 ARG C 1 1 10 3213 1 1 7 ARG CA C 4.802 -0.970 1.140 1.00 . A A . 7 ARG CA 1 1 10 3214 1 1 7 ARG CB C 5.667 -1.516 2.286 1.00 . A A . 7 ARG CB 1 1 10 3215 1 1 7 ARG CD C 4.195 -3.518 2.765 1.00 . A A . 7 ARG CD 1 1 10 3216 1 1 7 ARG CG C 4.897 -2.297 3.351 1.00 . A A . 7 ARG CG 1 1 10 3217 1 1 7 ARG CZ C 4.798 -5.484 1.363 1.00 . A A . 7 ARG CZ 1 1 10 3218 1 1 7 ARG H H 6.577 -0.129 0.343 1.00 . A A . 7 ARG H 1 1 10 3219 1 1 7 ARG HA H 4.301 -1.788 0.645 1.00 . A A . 7 ARG HA 1 1 10 3220 1 1 7 ARG HB2 H 6.418 -2.169 1.870 1.00 . A A . 7 ARG HB2 1 1 10 3221 1 1 7 ARG HB3 H 6.160 -0.683 2.767 1.00 . A A . 7 ARG HB3 1 1 10 3222 1 1 7 ARG HD2 H 3.690 -4.041 3.563 1.00 . A A . 7 ARG HD2 1 1 10 3223 1 1 7 ARG HD3 H 3.469 -3.194 2.035 1.00 . A A . 7 ARG HD3 1 1 10 3224 1 1 7 ARG HE H 6.090 -4.254 2.292 1.00 . A A . 7 ARG HE 1 1 10 3225 1 1 7 ARG HG2 H 5.589 -2.627 4.112 1.00 . A A . 7 ARG HG2 1 1 10 3226 1 1 7 ARG HG3 H 4.160 -1.644 3.796 1.00 . A A . 7 ARG HG3 1 1 10 3227 1 1 7 ARG HH11 H 2.778 -5.239 1.561 1.00 . A A . 7 ARG HH11 1 1 10 3228 1 1 7 ARG HH12 H 3.225 -6.545 0.562 1.00 . A A . 7 ARG HH12 1 1 10 3229 1 1 7 ARG HH21 H 6.718 -6.013 0.988 1.00 . A A . 7 ARG HH21 1 1 10 3230 1 1 7 ARG HH22 H 5.552 -7.003 0.221 1.00 . A A . 7 ARG HH22 1 1 10 3231 1 1 7 ARG N N 5.626 -0.281 0.149 1.00 . A A . 7 ARG N 1 1 10 3232 1 1 7 ARG NE N 5.136 -4.442 2.129 1.00 . A A . 7 ARG NE 1 1 10 3233 1 1 7 ARG NH1 N 3.510 -5.783 1.149 1.00 . A A . 7 ARG NH1 1 1 10 3234 1 1 7 ARG NH2 N 5.753 -6.226 0.821 1.00 . A A . 7 ARG NH2 1 1 10 3235 1 1 7 ARG O O 2.591 -0.389 1.882 1.00 . A A . 7 ARG O 1 1 10 3236 1 1 8 LEU C C 2.201 2.492 1.219 1.00 . A A . 8 LEU C 1 1 10 3237 1 1 8 LEU CA C 3.244 2.274 2.305 1.00 . A A . 8 LEU CA 1 1 10 3238 1 1 8 LEU CB C 4.016 3.566 2.597 1.00 . A A . 8 LEU CB 1 1 10 3239 1 1 8 LEU CD1 C 2.360 4.495 4.250 1.00 . A A . 8 LEU CD1 1 1 10 3240 1 1 8 LEU CD2 C 4.099 5.976 3.251 1.00 . A A . 8 LEU CD2 1 1 10 3241 1 1 8 LEU CG C 3.189 4.788 3.010 1.00 . A A . 8 LEU CG 1 1 10 3242 1 1 8 LEU H H 5.106 1.439 1.786 1.00 . A A . 8 LEU H 1 1 10 3243 1 1 8 LEU HA H 2.747 1.942 3.204 1.00 . A A . 8 LEU HA 1 1 10 3244 1 1 8 LEU HB2 H 4.724 3.359 3.387 1.00 . A A . 8 LEU HB2 1 1 10 3245 1 1 8 LEU HB3 H 4.574 3.825 1.709 1.00 . A A . 8 LEU HB3 1 1 10 3246 1 1 8 LEU HD11 H 1.811 5.381 4.533 1.00 . A A . 8 LEU HD11 1 1 10 3247 1 1 8 LEU HD12 H 3.013 4.196 5.057 1.00 . A A . 8 LEU HD12 1 1 10 3248 1 1 8 LEU HD13 H 1.666 3.696 4.037 1.00 . A A . 8 LEU HD13 1 1 10 3249 1 1 8 LEU HD21 H 4.638 6.207 2.344 1.00 . A A . 8 LEU HD21 1 1 10 3250 1 1 8 LEU HD22 H 4.803 5.739 4.036 1.00 . A A . 8 LEU HD22 1 1 10 3251 1 1 8 LEU HD23 H 3.508 6.829 3.546 1.00 . A A . 8 LEU HD23 1 1 10 3252 1 1 8 LEU HG H 2.510 5.041 2.209 1.00 . A A . 8 LEU HG 1 1 10 3253 1 1 8 LEU N N 4.152 1.227 1.890 1.00 . A A . 8 LEU N 1 1 10 3254 1 1 8 LEU O O 1.009 2.576 1.506 1.00 . A A . 8 LEU O 1 1 10 3255 1 1 9 GLY C C 0.772 1.532 -1.233 1.00 . A A . 9 GLY C 1 1 10 3256 1 1 9 GLY CA C 1.789 2.650 -1.177 1.00 . A A . 9 GLY CA 1 1 10 3257 1 1 9 GLY H H 3.639 2.458 -0.159 1.00 . A A . 9 GLY H 1 1 10 3258 1 1 9 GLY HA2 H 1.275 3.598 -1.127 1.00 . A A . 9 GLY HA2 1 1 10 3259 1 1 9 GLY HA3 H 2.389 2.616 -2.073 1.00 . A A . 9 GLY HA3 1 1 10 3260 1 1 9 GLY N N 2.667 2.517 -0.028 1.00 . A A . 9 GLY N 1 1 10 3261 1 1 9 GLY O O -0.396 1.761 -1.531 1.00 . A A . 9 GLY O 1 1 10 3262 1 1 10 LYS C C -0.751 -0.630 0.181 1.00 . A A . 10 LYS C 1 1 10 3263 1 1 10 LYS CA C 0.350 -0.842 -0.851 1.00 . A A . 10 LYS CA 1 1 10 3264 1 1 10 LYS CB C 1.163 -2.113 -0.528 1.00 . A A . 10 LYS CB 1 1 10 3265 1 1 10 LYS CD C -0.559 -3.766 -1.451 1.00 . A A . 10 LYS CD 1 1 10 3266 1 1 10 LYS CE C 0.259 -4.180 -2.659 1.00 . A A . 10 LYS CE 1 1 10 3267 1 1 10 LYS CG C 0.323 -3.374 -0.264 1.00 . A A . 10 LYS CG 1 1 10 3268 1 1 10 LYS H H 2.180 0.222 -0.740 1.00 . A A . 10 LYS H 1 1 10 3269 1 1 10 LYS HA H -0.109 -0.959 -1.822 1.00 . A A . 10 LYS HA 1 1 10 3270 1 1 10 LYS HB2 H 1.827 -2.316 -1.355 1.00 . A A . 10 LYS HB2 1 1 10 3271 1 1 10 LYS HB3 H 1.761 -1.915 0.350 1.00 . A A . 10 LYS HB3 1 1 10 3272 1 1 10 LYS HD2 H -1.192 -4.591 -1.162 1.00 . A A . 10 LYS HD2 1 1 10 3273 1 1 10 LYS HD3 H -1.178 -2.922 -1.716 1.00 . A A . 10 LYS HD3 1 1 10 3274 1 1 10 LYS HE2 H 0.882 -3.350 -2.961 1.00 . A A . 10 LYS HE2 1 1 10 3275 1 1 10 LYS HE3 H 0.887 -5.015 -2.388 1.00 . A A . 10 LYS HE3 1 1 10 3276 1 1 10 LYS HG2 H 0.990 -4.196 -0.049 1.00 . A A . 10 LYS HG2 1 1 10 3277 1 1 10 LYS HG3 H -0.305 -3.193 0.597 1.00 . A A . 10 LYS HG3 1 1 10 3278 1 1 10 LYS HZ1 H -1.219 -5.362 -3.537 1.00 . A A . 10 LYS HZ1 1 1 10 3279 1 1 10 LYS HZ2 H -0.018 -4.867 -4.601 1.00 . A A . 10 LYS HZ2 1 1 10 3280 1 1 10 LYS HZ3 H -1.194 -3.774 -4.107 1.00 . A A . 10 LYS HZ3 1 1 10 3281 1 1 10 LYS N N 1.219 0.324 -0.918 1.00 . A A . 10 LYS N 1 1 10 3282 1 1 10 LYS NZ N -0.600 -4.568 -3.794 1.00 . A A . 10 LYS NZ 1 1 10 3283 1 1 10 LYS O O -1.920 -0.859 -0.102 1.00 . A A . 10 LYS O 1 1 10 3284 1 1 11 LYS C C -2.326 1.185 2.026 1.00 . A A . 11 LYS C 1 1 10 3285 1 1 11 LYS CA C -1.347 0.087 2.423 1.00 . A A . 11 LYS CA 1 1 10 3286 1 1 11 LYS CB C -0.666 0.443 3.740 1.00 . A A . 11 LYS CB 1 1 10 3287 1 1 11 LYS CD C 0.746 -0.326 5.675 1.00 . A A . 11 LYS CD 1 1 10 3288 1 1 11 LYS CE C 1.461 1.014 5.787 1.00 . A A . 11 LYS CE 1 1 10 3289 1 1 11 LYS CG C 0.282 -0.625 4.256 1.00 . A A . 11 LYS CG 1 1 10 3290 1 1 11 LYS H H 0.576 0.034 1.508 1.00 . A A . 11 LYS H 1 1 10 3291 1 1 11 LYS HA H -1.906 -0.828 2.554 1.00 . A A . 11 LYS HA 1 1 10 3292 1 1 11 LYS HB2 H -0.101 1.351 3.590 1.00 . A A . 11 LYS HB2 1 1 10 3293 1 1 11 LYS HB3 H -1.421 0.622 4.490 1.00 . A A . 11 LYS HB3 1 1 10 3294 1 1 11 LYS HD2 H -0.120 -0.314 6.320 1.00 . A A . 11 LYS HD2 1 1 10 3295 1 1 11 LYS HD3 H 1.413 -1.113 5.992 1.00 . A A . 11 LYS HD3 1 1 10 3296 1 1 11 LYS HE2 H 2.339 0.996 5.159 1.00 . A A . 11 LYS HE2 1 1 10 3297 1 1 11 LYS HE3 H 0.796 1.798 5.453 1.00 . A A . 11 LYS HE3 1 1 10 3298 1 1 11 LYS HG2 H -0.227 -1.578 4.246 1.00 . A A . 11 LYS HG2 1 1 10 3299 1 1 11 LYS HG3 H 1.143 -0.671 3.605 1.00 . A A . 11 LYS HG3 1 1 10 3300 1 1 11 LYS HZ1 H 2.318 2.235 7.245 1.00 . A A . 11 LYS HZ1 1 1 10 3301 1 1 11 LYS HZ2 H 2.590 0.606 7.481 1.00 . A A . 11 LYS HZ2 1 1 10 3302 1 1 11 LYS HZ3 H 1.061 1.264 7.820 1.00 . A A . 11 LYS HZ3 1 1 10 3303 1 1 11 LYS N N -0.377 -0.154 1.358 1.00 . A A . 11 LYS N 1 1 10 3304 1 1 11 LYS NZ N 1.876 1.296 7.175 1.00 . A A . 11 LYS NZ 1 1 10 3305 1 1 11 LYS O O -3.516 1.120 2.360 1.00 . A A . 11 LYS O 1 1 10 3306 1 1 12 ILE C C -3.642 2.743 -0.219 1.00 . A A . 12 ILE C 1 1 10 3307 1 1 12 ILE CA C -2.623 3.270 0.793 1.00 . A A . 12 ILE CA 1 1 10 3308 1 1 12 ILE CB C -1.721 4.352 0.128 1.00 . A A . 12 ILE CB 1 1 10 3309 1 1 12 ILE CD1 C 0.151 6.022 0.611 1.00 . A A . 12 ILE CD1 1 1 10 3310 1 1 12 ILE CG1 C -0.844 5.038 1.182 1.00 . A A . 12 ILE CG1 1 1 10 3311 1 1 12 ILE CG2 C -2.546 5.378 -0.648 1.00 . A A . 12 ILE CG2 1 1 10 3312 1 1 12 ILE H H -0.850 2.181 1.147 1.00 . A A . 12 ILE H 1 1 10 3313 1 1 12 ILE HA H -3.152 3.719 1.621 1.00 . A A . 12 ILE HA 1 1 10 3314 1 1 12 ILE HB H -1.076 3.850 -0.578 1.00 . A A . 12 ILE HB 1 1 10 3315 1 1 12 ILE HD11 H -0.378 6.801 0.081 1.00 . A A . 12 ILE HD11 1 1 10 3316 1 1 12 ILE HD12 H 0.809 5.505 -0.071 1.00 . A A . 12 ILE HD12 1 1 10 3317 1 1 12 ILE HD13 H 0.730 6.457 1.412 1.00 . A A . 12 ILE HD13 1 1 10 3318 1 1 12 ILE HG12 H -1.477 5.577 1.872 1.00 . A A . 12 ILE HG12 1 1 10 3319 1 1 12 ILE HG13 H -0.294 4.283 1.725 1.00 . A A . 12 ILE HG13 1 1 10 3320 1 1 12 ILE HG21 H -3.100 4.877 -1.427 1.00 . A A . 12 ILE HG21 1 1 10 3321 1 1 12 ILE HG22 H -1.890 6.115 -1.086 1.00 . A A . 12 ILE HG22 1 1 10 3322 1 1 12 ILE HG23 H -3.235 5.863 0.027 1.00 . A A . 12 ILE HG23 1 1 10 3323 1 1 12 ILE N N -1.819 2.176 1.316 1.00 . A A . 12 ILE N 1 1 10 3324 1 1 12 ILE O O -4.833 3.075 -0.153 1.00 . A A . 12 ILE O 1 1 10 3325 1 1 13 ARG C C -5.014 0.320 -1.559 1.00 . A A . 13 ARG C 1 1 10 3326 1 1 13 ARG CA C -4.028 1.325 -2.154 1.00 . A A . 13 ARG CA 1 1 10 3327 1 1 13 ARG CB C -3.189 0.692 -3.270 1.00 . A A . 13 ARG CB 1 1 10 3328 1 1 13 ARG CD C -3.220 2.753 -4.723 1.00 . A A . 13 ARG CD 1 1 10 3329 1 1 13 ARG CG C -2.347 1.692 -4.060 1.00 . A A . 13 ARG CG 1 1 10 3330 1 1 13 ARG CZ C -5.424 2.649 -5.894 1.00 . A A . 13 ARG CZ 1 1 10 3331 1 1 13 ARG H H -2.217 1.684 -1.104 1.00 . A A . 13 ARG H 1 1 10 3332 1 1 13 ARG HA H -4.610 2.132 -2.573 1.00 . A A . 13 ARG HA 1 1 10 3333 1 1 13 ARG HB2 H -2.525 -0.040 -2.835 1.00 . A A . 13 ARG HB2 1 1 10 3334 1 1 13 ARG HB3 H -3.851 0.196 -3.962 1.00 . A A . 13 ARG HB3 1 1 10 3335 1 1 13 ARG HD2 H -3.731 3.325 -3.962 1.00 . A A . 13 ARG HD2 1 1 10 3336 1 1 13 ARG HD3 H -2.587 3.414 -5.293 1.00 . A A . 13 ARG HD3 1 1 10 3337 1 1 13 ARG HE H -3.924 1.310 -6.054 1.00 . A A . 13 ARG HE 1 1 10 3338 1 1 13 ARG HG2 H -1.656 2.176 -3.387 1.00 . A A . 13 ARG HG2 1 1 10 3339 1 1 13 ARG HG3 H -1.797 1.161 -4.823 1.00 . A A . 13 ARG HG3 1 1 10 3340 1 1 13 ARG HH11 H -5.263 4.314 -4.698 1.00 . A A . 13 ARG HH11 1 1 10 3341 1 1 13 ARG HH12 H -6.733 4.184 -5.538 1.00 . A A . 13 ARG HH12 1 1 10 3342 1 1 13 ARG HH21 H -5.967 1.126 -7.142 1.00 . A A . 13 ARG HH21 1 1 10 3343 1 1 13 ARG HH22 H -7.160 2.323 -6.914 1.00 . A A . 13 ARG HH22 1 1 10 3344 1 1 13 ARG N N -3.176 1.907 -1.126 1.00 . A A . 13 ARG N 1 1 10 3345 1 1 13 ARG NE N -4.209 2.151 -5.628 1.00 . A A . 13 ARG NE 1 1 10 3346 1 1 13 ARG NH1 N -5.832 3.787 -5.335 1.00 . A A . 13 ARG NH1 1 1 10 3347 1 1 13 ARG NH2 N -6.235 1.993 -6.709 1.00 . A A . 13 ARG NH2 1 1 10 3348 1 1 13 ARG O O -6.140 0.162 -2.061 1.00 . A A . 13 ARG O 1 1 10 3349 1 1 14 LEU C C -6.580 -0.453 0.841 1.00 . A A . 14 LEU C 1 1 10 3350 1 1 14 LEU CA C -5.441 -1.265 0.243 1.00 . A A . 14 LEU CA 1 1 10 3351 1 1 14 LEU CB C -4.599 -1.968 1.355 1.00 . A A . 14 LEU CB 1 1 10 3352 1 1 14 LEU CD1 C -4.148 -3.816 2.992 1.00 . A A . 14 LEU CD1 1 1 10 3353 1 1 14 LEU CD2 C -6.343 -2.684 3.100 1.00 . A A . 14 LEU CD2 1 1 10 3354 1 1 14 LEU CG C -5.226 -3.144 2.163 1.00 . A A . 14 LEU CG 1 1 10 3355 1 1 14 LEU H H -3.655 -0.245 -0.211 1.00 . A A . 14 LEU H 1 1 10 3356 1 1 14 LEU HA H -5.837 -2.002 -0.439 1.00 . A A . 14 LEU HA 1 1 10 3357 1 1 14 LEU HB2 H -3.701 -2.345 0.888 1.00 . A A . 14 LEU HB2 1 1 10 3358 1 1 14 LEU HB3 H -4.301 -1.204 2.058 1.00 . A A . 14 LEU HB3 1 1 10 3359 1 1 14 LEU HD11 H -3.724 -3.100 3.680 1.00 . A A . 14 LEU HD11 1 1 10 3360 1 1 14 LEU HD12 H -3.373 -4.190 2.340 1.00 . A A . 14 LEU HD12 1 1 10 3361 1 1 14 LEU HD13 H -4.581 -4.635 3.547 1.00 . A A . 14 LEU HD13 1 1 10 3362 1 1 14 LEU HD21 H -6.742 -3.535 3.631 1.00 . A A . 14 LEU HD21 1 1 10 3363 1 1 14 LEU HD22 H -7.128 -2.219 2.521 1.00 . A A . 14 LEU HD22 1 1 10 3364 1 1 14 LEU HD23 H -5.948 -1.970 3.807 1.00 . A A . 14 LEU HD23 1 1 10 3365 1 1 14 LEU HG H -5.622 -3.876 1.474 1.00 . A A . 14 LEU HG 1 1 10 3366 1 1 14 LEU N N -4.591 -0.347 -0.497 1.00 . A A . 14 LEU N 1 1 10 3367 1 1 14 LEU O O -7.740 -0.759 0.637 1.00 . A A . 14 LEU O 1 1 10 3368 1 1 15 ALA C C -8.107 2.160 1.166 1.00 . A A . 15 ALA C 1 1 10 3369 1 1 15 ALA CA C -7.168 1.516 2.174 1.00 . A A . 15 ALA CA 1 1 10 3370 1 1 15 ALA CB C -6.428 2.586 2.942 1.00 . A A . 15 ALA CB 1 1 10 3371 1 1 15 ALA H H -5.257 0.832 1.591 1.00 . A A . 15 ALA H 1 1 10 3372 1 1 15 ALA HA H -7.745 0.933 2.877 1.00 . A A . 15 ALA HA 1 1 10 3373 1 1 15 ALA HB1 H -7.137 3.204 3.472 1.00 . A A . 15 ALA HB1 1 1 10 3374 1 1 15 ALA HB2 H -5.864 3.195 2.252 1.00 . A A . 15 ALA HB2 1 1 10 3375 1 1 15 ALA HB3 H -5.753 2.124 3.646 1.00 . A A . 15 ALA HB3 1 1 10 3376 1 1 15 ALA N N -6.216 0.628 1.520 1.00 . A A . 15 ALA N 1 1 10 3377 1 1 15 ALA O O -9.289 2.340 1.437 1.00 . A A . 15 ALA O 1 1 10 3378 1 1 16 ALA C C -9.459 2.216 -1.526 1.00 . A A . 16 ALA C 1 1 10 3379 1 1 16 ALA CA C -8.315 3.104 -1.071 1.00 . A A . 16 ALA CA 1 1 10 3380 1 1 16 ALA CB C -7.392 3.404 -2.239 1.00 . A A . 16 ALA CB 1 1 10 3381 1 1 16 ALA H H -6.610 2.308 -0.122 1.00 . A A . 16 ALA H 1 1 10 3382 1 1 16 ALA HA H -8.713 4.039 -0.707 1.00 . A A . 16 ALA HA 1 1 10 3383 1 1 16 ALA HB1 H -7.943 3.897 -3.024 1.00 . A A . 16 ALA HB1 1 1 10 3384 1 1 16 ALA HB2 H -6.984 2.478 -2.617 1.00 . A A . 16 ALA HB2 1 1 10 3385 1 1 16 ALA HB3 H -6.587 4.042 -1.905 1.00 . A A . 16 ALA HB3 1 1 10 3386 1 1 16 ALA N N -7.568 2.483 0.006 1.00 . A A . 16 ALA N 1 1 10 3387 1 1 16 ALA O O -10.583 2.686 -1.733 1.00 . A A . 16 ALA O 1 1 10 3388 1 1 17 ALA C C -11.022 -0.509 -0.944 1.00 . A A . 17 ALA C 1 1 10 3389 1 1 17 ALA CA C -10.164 -0.010 -2.109 1.00 . A A . 17 ALA CA 1 1 10 3390 1 1 17 ALA CB C -9.483 -1.167 -2.819 1.00 . A A . 17 ALA CB 1 1 10 3391 1 1 17 ALA H H -8.267 0.630 -1.466 1.00 . A A . 17 ALA H 1 1 10 3392 1 1 17 ALA HA H -10.806 0.490 -2.818 1.00 . A A . 17 ALA HA 1 1 10 3393 1 1 17 ALA HB1 H -8.883 -0.787 -3.632 1.00 . A A . 17 ALA HB1 1 1 10 3394 1 1 17 ALA HB2 H -10.231 -1.841 -3.210 1.00 . A A . 17 ALA HB2 1 1 10 3395 1 1 17 ALA HB3 H -8.851 -1.695 -2.121 1.00 . A A . 17 ALA HB3 1 1 10 3396 1 1 17 ALA N N -9.176 0.945 -1.665 1.00 . A A . 17 ALA N 1 1 10 3397 1 1 17 ALA O O -12.150 -0.952 -1.147 1.00 . A A . 17 ALA O 1 1 10 3398 1 1 18 PHE C C -12.522 -0.378 1.684 1.00 . A A . 18 PHE C 1 1 10 3399 1 1 18 PHE CA C -11.097 -0.904 1.496 1.00 . A A . 18 PHE CA 1 1 10 3400 1 1 18 PHE CB C -10.222 -0.540 2.714 1.00 . A A . 18 PHE CB 1 1 10 3401 1 1 18 PHE CD1 C -10.326 -2.361 4.430 1.00 . A A . 18 PHE CD1 1 1 10 3402 1 1 18 PHE CD2 C -11.524 -0.352 4.865 1.00 . A A . 18 PHE CD2 1 1 10 3403 1 1 18 PHE CE1 C -10.758 -2.879 5.631 1.00 . A A . 18 PHE CE1 1 1 10 3404 1 1 18 PHE CE2 C -11.958 -0.869 6.066 1.00 . A A . 18 PHE CE2 1 1 10 3405 1 1 18 PHE CG C -10.703 -1.096 4.030 1.00 . A A . 18 PHE CG 1 1 10 3406 1 1 18 PHE CZ C -11.575 -2.133 6.450 1.00 . A A . 18 PHE CZ 1 1 10 3407 1 1 18 PHE H H -9.570 -0.037 0.325 1.00 . A A . 18 PHE H 1 1 10 3408 1 1 18 PHE HA H -11.138 -1.981 1.426 1.00 . A A . 18 PHE HA 1 1 10 3409 1 1 18 PHE HB2 H -9.222 -0.912 2.550 1.00 . A A . 18 PHE HB2 1 1 10 3410 1 1 18 PHE HB3 H -10.182 0.537 2.799 1.00 . A A . 18 PHE HB3 1 1 10 3411 1 1 18 PHE HD1 H -9.687 -2.950 3.790 1.00 . A A . 18 PHE HD1 1 1 10 3412 1 1 18 PHE HD2 H -11.830 0.640 4.569 1.00 . A A . 18 PHE HD2 1 1 10 3413 1 1 18 PHE HE1 H -10.455 -3.872 5.928 1.00 . A A . 18 PHE HE1 1 1 10 3414 1 1 18 PHE HE2 H -12.600 -0.281 6.706 1.00 . A A . 18 PHE HE2 1 1 10 3415 1 1 18 PHE HZ H -11.915 -2.536 7.392 1.00 . A A . 18 PHE HZ 1 1 10 3416 1 1 18 PHE N N -10.470 -0.421 0.259 1.00 . A A . 18 PHE N 1 1 10 3417 1 1 18 PHE O O -13.460 -1.168 1.846 1.00 . A A . 18 PHE O 1 1 10 3418 1 1 19 LYS C C -14.872 1.365 0.640 1.00 . A A . 19 LYS C 1 1 10 3419 1 1 19 LYS CA C -13.986 1.518 1.876 1.00 . A A . 19 LYS CA 1 1 10 3420 1 1 19 LYS CB C -13.944 2.984 2.404 1.00 . A A . 19 LYS CB 1 1 10 3421 1 1 19 LYS CD C -11.907 3.995 1.265 1.00 . A A . 19 LYS CD 1 1 10 3422 1 1 19 LYS CE C -11.424 5.102 0.353 1.00 . A A . 19 LYS CE 1 1 10 3423 1 1 19 LYS CG C -13.398 4.080 1.479 1.00 . A A . 19 LYS CG 1 1 10 3424 1 1 19 LYS H H -11.922 1.519 1.517 1.00 . A A . 19 LYS H 1 1 10 3425 1 1 19 LYS HA H -14.442 0.897 2.634 1.00 . A A . 19 LYS HA 1 1 10 3426 1 1 19 LYS HB2 H -14.956 3.259 2.644 1.00 . A A . 19 LYS HB2 1 1 10 3427 1 1 19 LYS HB3 H -13.368 2.990 3.317 1.00 . A A . 19 LYS HB3 1 1 10 3428 1 1 19 LYS HD2 H -11.399 4.075 2.214 1.00 . A A . 19 LYS HD2 1 1 10 3429 1 1 19 LYS HD3 H -11.671 3.046 0.806 1.00 . A A . 19 LYS HD3 1 1 10 3430 1 1 19 LYS HE2 H -11.704 6.051 0.785 1.00 . A A . 19 LYS HE2 1 1 10 3431 1 1 19 LYS HE3 H -10.350 5.047 0.272 1.00 . A A . 19 LYS HE3 1 1 10 3432 1 1 19 LYS HG2 H -13.880 3.987 0.517 1.00 . A A . 19 LYS HG2 1 1 10 3433 1 1 19 LYS HG3 H -13.642 5.042 1.904 1.00 . A A . 19 LYS HG3 1 1 10 3434 1 1 19 LYS HZ1 H -11.810 4.071 -1.423 1.00 . A A . 19 LYS HZ1 1 1 10 3435 1 1 19 LYS HZ2 H -11.616 5.724 -1.621 1.00 . A A . 19 LYS HZ2 1 1 10 3436 1 1 19 LYS HZ3 H -13.053 5.126 -0.979 1.00 . A A . 19 LYS HZ3 1 1 10 3437 1 1 19 LYS N N -12.687 0.934 1.671 1.00 . A A . 19 LYS N 1 1 10 3438 1 1 19 LYS NZ N -12.021 4.999 -0.996 1.00 . A A . 19 LYS NZ 1 1 10 3439 1 1 19 LYS O O -14.637 2.033 -0.383 1.00 . A A . 19 LYS O 1 1 10 3440 1 1 19 LYS OXT O -15.817 0.570 0.685 1.00 . A A . 19 LYS OXT 1 1 stop_ save_
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