NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
642494 | 6csz | 30440 | cing | 4-filtered-FRED | STAR | entry | full | 79 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6csz # This FRED archive file contains, for PDB entry <6csz>: # # - 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_6csz _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 6csz _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 2143.81 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 $PaDBS1R3 A . 1 1 stop_ save_ save_PaDBS1R3 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name PaDBS1R3 _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code PMAKLLPRIKKKILAAAFK _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 ALA . 1 1 4 LYS . 1 1 5 LEU . 1 1 6 LEU . 1 1 7 PRO . 1 1 8 ARG . 1 1 9 ILE . 1 1 10 LYS . 1 1 11 LYS . 1 1 12 LYS . 1 1 13 ILE . 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 ALA 3 3 1 1 LYS 4 4 1 1 LEU 5 5 1 1 LEU 6 6 1 1 PRO 7 7 1 1 ARG 8 8 1 1 ILE 9 9 1 1 LYS 10 10 1 1 LYS 11 11 1 1 LYS 12 12 1 1 ILE 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 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 HB2 . 2 MET HB2 1 1 2 1 1 1 1 2 MET H . 2 MET H 1 1 2 1 2 1 1 2 MET HB3 . 2 MET HB3 1 1 3 1 1 1 1 2 MET H . 2 MET H 1 1 3 1 2 1 1 2 MET ME . 2 MET QE 1 1 4 1 1 1 1 2 MET H . 2 MET H 1 1 4 1 2 1 1 2 MET HG2 . 2 MET HG2 1 1 5 1 1 1 1 2 MET H . 2 MET H 1 1 5 1 2 1 1 2 MET HG3 . 2 MET HG3 1 1 6 1 1 1 1 3 ALA H . 3 ALA H 1 1 6 1 2 1 1 3 ALA MB . 3 ALA QB 1 1 7 1 1 1 1 3 ALA MB . 3 ALA QB 1 1 7 1 2 1 1 4 LYS H . 4 LYS H 1 1 8 1 1 1 1 4 LYS H . 4 LYS H 1 1 8 1 2 1 1 4 LYS HB2 . 4 LYS HB2 1 1 9 1 1 1 1 4 LYS H . 4 LYS H 1 1 9 1 2 1 1 4 LYS QB . 4 LYS QB 1 1 10 1 1 1 1 4 LYS H . 4 LYS H 1 1 10 1 2 1 1 4 LYS HB3 . 4 LYS HB3 1 1 11 1 1 1 1 4 LYS H . 4 LYS H 1 1 11 1 2 1 1 4 LYS HD2 . 4 LYS HD2 1 1 12 1 1 1 1 4 LYS H . 4 LYS H 1 1 12 1 2 1 1 4 LYS HD3 . 4 LYS HD3 1 1 13 1 1 1 1 4 LYS H . 4 LYS H 1 1 13 1 2 1 1 4 LYS HE2 . 4 LYS HE2 1 1 14 1 1 1 1 4 LYS H . 4 LYS H 1 1 14 1 2 1 1 4 LYS HE3 . 4 LYS HE3 1 1 15 1 1 1 1 4 LYS H . 4 LYS H 1 1 15 1 2 1 1 4 LYS QG . 4 LYS QG 1 1 16 1 1 1 1 4 LYS QD . 4 LYS QD 1 1 16 1 2 1 1 5 LEU H . 5 LEU H 1 1 17 1 1 1 1 4 LYS QE . 4 LYS QE 1 1 17 1 2 1 1 5 LEU H . 5 LEU H 1 1 18 1 1 1 1 4 LYS QG . 4 LYS QG 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 6 LEU H . 6 LEU H 1 1 23 1 2 1 1 6 LEU MD1 . 6 LEU QD1 1 1 24 1 1 1 1 6 LEU H . 6 LEU H 1 1 24 1 2 1 1 6 LEU MD2 . 6 LEU QD2 1 1 25 1 1 1 1 8 ARG H . 8 ARG H 1 1 25 1 2 1 1 8 ARG HB2 . 8 ARG HB2 1 1 26 1 1 1 1 8 ARG H . 8 ARG H 1 1 26 1 2 1 1 8 ARG HB3 . 8 ARG HB3 1 1 27 1 1 1 1 8 ARG H . 8 ARG H 1 1 27 1 2 1 1 8 ARG QD . 8 ARG QD 1 1 28 1 1 1 1 8 ARG H . 8 ARG H 1 1 28 1 2 1 1 8 ARG HG2 . 8 ARG HG2 1 1 29 1 1 1 1 8 ARG H . 8 ARG H 1 1 29 1 2 1 1 8 ARG HG3 . 8 ARG HG3 1 1 30 1 1 1 1 8 ARG HA . 8 ARG HA 1 1 30 1 2 1 1 8 ARG HE . 8 ARG HE 1 1 31 1 1 1 1 8 ARG HB2 . 8 ARG HB2 1 1 31 1 2 1 1 8 ARG HE . 8 ARG HE 1 1 32 1 1 1 1 8 ARG HB3 . 8 ARG HB3 1 1 32 1 2 1 1 8 ARG HE . 8 ARG HE 1 1 33 1 1 1 1 8 ARG HE . 8 ARG HE 1 1 33 1 2 1 1 8 ARG HG2 . 8 ARG HG2 1 1 34 1 1 1 1 8 ARG HE . 8 ARG HE 1 1 34 1 2 1 1 8 ARG HG3 . 8 ARG HG3 1 1 35 1 1 1 1 9 ILE H . 9 ILE H 1 1 35 1 2 1 1 9 ILE HB . 9 ILE HB 1 1 36 1 1 1 1 9 ILE H . 9 ILE H 1 1 36 1 2 1 1 9 ILE MD . 9 ILE QD1 1 1 37 1 1 1 1 9 ILE H . 9 ILE H 1 1 37 1 2 1 1 9 ILE HG12 . 9 ILE HG12 1 1 38 1 1 1 1 9 ILE H . 9 ILE H 1 1 38 1 2 1 1 9 ILE QG . 9 ILE QG1 1 1 39 1 1 1 1 9 ILE H . 9 ILE H 1 1 39 1 2 1 1 9 ILE HG13 . 9 ILE HG13 1 1 40 1 1 1 1 9 ILE H . 9 ILE H 1 1 40 1 2 1 1 9 ILE MG . 9 ILE QG2 1 1 41 1 1 1 1 10 LYS H . 10 LYS H 1 1 41 1 2 1 1 10 LYS HD2 . 10 LYS HD2 1 1 42 1 1 1 1 10 LYS H . 10 LYS H 1 1 42 1 2 1 1 10 LYS HD3 . 10 LYS HD3 1 1 43 1 1 1 1 10 LYS H . 10 LYS H 1 1 43 1 2 1 1 10 LYS HG2 . 10 LYS HG2 1 1 44 1 1 1 1 10 LYS H . 10 LYS H 1 1 44 1 2 1 1 10 LYS HG3 . 10 LYS HG3 1 1 45 1 1 1 1 11 LYS H . 11 LYS H 1 1 45 1 2 1 1 11 LYS HB2 . 11 LYS HB2 1 1 46 1 1 1 1 11 LYS H . 11 LYS H 1 1 46 1 2 1 1 11 LYS QB . 11 LYS QB 1 1 47 1 1 1 1 11 LYS H . 11 LYS H 1 1 47 1 2 1 1 11 LYS HB3 . 11 LYS HB3 1 1 48 1 1 1 1 11 LYS H . 11 LYS H 1 1 48 1 2 1 1 11 LYS QE . 11 LYS QE 1 1 49 1 1 1 1 12 LYS H . 12 LYS H 1 1 49 1 2 1 1 12 LYS HB2 . 12 LYS HB2 1 1 50 1 1 1 1 12 LYS H . 12 LYS H 1 1 50 1 2 1 1 12 LYS HB3 . 12 LYS HB3 1 1 51 1 1 1 1 12 LYS H . 12 LYS H 1 1 51 1 2 1 1 12 LYS HD2 . 12 LYS HD2 1 1 52 1 1 1 1 12 LYS H . 12 LYS H 1 1 52 1 2 1 1 12 LYS QD . 12 LYS QD 1 1 53 1 1 1 1 12 LYS H . 12 LYS H 1 1 53 1 2 1 1 12 LYS HD3 . 12 LYS HD3 1 1 54 1 1 1 1 12 LYS H . 12 LYS H 1 1 54 1 2 1 1 12 LYS HE2 . 12 LYS HE2 1 1 55 1 1 1 1 12 LYS H . 12 LYS H 1 1 55 1 2 1 1 12 LYS HE3 . 12 LYS HE3 1 1 56 1 1 1 1 12 LYS H . 12 LYS H 1 1 56 1 2 1 1 12 LYS HG2 . 12 LYS HG2 1 1 57 1 1 1 1 12 LYS H . 12 LYS H 1 1 57 1 2 1 1 12 LYS HG3 . 12 LYS HG3 1 1 58 1 1 1 1 13 ILE H . 13 ILE H 1 1 58 1 2 1 1 13 ILE HB . 13 ILE HB 1 1 59 1 1 1 1 13 ILE H . 13 ILE H 1 1 59 1 2 1 1 13 ILE MD . 13 ILE QD1 1 1 60 1 1 1 1 13 ILE H . 13 ILE H 1 1 60 1 2 1 1 13 ILE MG . 13 ILE QG2 1 1 61 1 1 1 1 13 ILE MG . 13 ILE QG2 1 1 61 1 2 1 1 14 LEU H . 14 LEU H 1 1 62 1 1 1 1 14 LEU H . 14 LEU H 1 1 62 1 2 1 1 14 LEU HB2 . 14 LEU HB2 1 1 63 1 1 1 1 14 LEU H . 14 LEU H 1 1 63 1 2 1 1 14 LEU HB3 . 14 LEU HB3 1 1 64 1 1 1 1 14 LEU H . 14 LEU H 1 1 64 1 2 1 1 14 LEU HG . 14 LEU HG 1 1 65 1 1 1 1 15 ALA H . 15 ALA H 1 1 65 1 2 1 1 15 ALA MB . 15 ALA QB 1 1 66 1 1 1 1 15 ALA MB . 15 ALA QB 1 1 66 1 2 1 1 16 ALA H . 16 ALA H 1 1 67 1 1 1 1 16 ALA H . 16 ALA H 1 1 67 1 2 1 1 16 ALA MB . 16 ALA QB 1 1 68 1 1 1 1 16 ALA MB . 16 ALA QB 1 1 68 1 2 1 1 17 ALA H . 17 ALA H 1 1 69 1 1 1 1 17 ALA H . 17 ALA H 1 1 69 1 2 1 1 17 ALA MB . 17 ALA QB 1 1 70 1 1 1 1 18 PHE H . 18 PHE H 1 1 70 1 2 1 1 18 PHE HB2 . 18 PHE HB2 1 1 71 1 1 1 1 18 PHE H . 18 PHE H 1 1 71 1 2 1 1 18 PHE QB . 18 PHE QB 1 1 72 1 1 1 1 18 PHE H . 18 PHE H 1 1 72 1 2 1 1 18 PHE HB3 . 18 PHE HB3 1 1 73 1 1 1 1 19 LYS H . 19 LYS H 1 1 73 1 2 1 1 19 LYS HA . 19 LYS HA 1 1 74 1 1 1 1 19 LYS H . 19 LYS H 1 1 74 1 2 1 1 19 LYS HB2 . 19 LYS HB2 1 1 75 1 1 1 1 19 LYS H . 19 LYS H 1 1 75 1 2 1 1 19 LYS QB . 19 LYS QB 1 1 76 1 1 1 1 19 LYS H . 19 LYS H 1 1 76 1 2 1 1 19 LYS HB3 . 19 LYS HB3 1 1 77 1 1 1 1 19 LYS H . 19 LYS H 1 1 77 1 2 1 1 19 LYS QD . 19 LYS QD 1 1 78 1 1 1 1 19 LYS H . 19 LYS H 1 1 78 1 2 1 1 19 LYS QE . 19 LYS QE 1 1 79 1 1 1 1 19 LYS H . 19 LYS H 1 1 79 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 . . . . . . . 4.01 1 1 2 1 . . . . . . . 4.01 1 1 3 1 . . . . . . . 3.69 1 1 4 1 . . . . . . . 3.7 1 1 5 1 . . . . . . . 3.7 1 1 6 1 . . . . . . . 3.11 1 1 7 1 . . . . . . . 4.29 1 1 8 1 . . . . . . . 3.99 1 1 9 1 . . . . . . . 3.41 1 1 10 1 . . . . . . . 3.99 1 1 11 1 . . . . . . . 4.19 1 1 12 1 . . . . . . . 4.19 1 1 13 1 . . . . . . . 5.28 1 1 14 1 . . . . . . . 5.28 1 1 15 1 . . . . . . . 4.17 1 1 16 1 . . . . . . . 5.34 1 1 17 1 . . . . . . . 5.34 1 1 18 1 . . . . . . . 4.12 1 1 19 1 . . . . . . . 2.95 1 1 20 1 . . . . . . . 4.38 1 1 21 1 . . . . . . . 4.38 1 1 22 1 . . . . . . . 4.27 1 1 23 1 . . . . . . . 5.5 1 1 24 1 . . . . . . . 5.5 1 1 25 1 . . . . . . . 4.11 1 1 26 1 . . . . . . . 4.11 1 1 27 1 . . . . . . . 4.39 1 1 28 1 . . . . . . . 4.34 1 1 29 1 . . . . . . . 4.34 1 1 30 1 . . . . . . . 4.46 1 1 31 1 . . . . . . . 4.04 1 1 32 1 . . . . . . . 4.04 1 1 33 1 . . . . . . . 3.97 1 1 34 1 . . . . . . . 3.97 1 1 35 1 . . . . . . . 3.96 1 1 36 1 . . . . . . . 5.5 1 1 37 1 . . . . . . . 5.5 1 1 38 1 . . . . . . . 4.8 1 1 39 1 . . . . . . . 5.5 1 1 40 1 . . . . . . . 4.0 1 1 41 1 . . . . . . . 5.5 1 1 42 1 . . . . . . . 5.5 1 1 43 1 . . . . . . . 5.43 1 1 44 1 . . . . . . . 5.43 1 1 45 1 . . . . . . . 3.81 1 1 46 1 . . . . . . . 3.23 1 1 47 1 . . . . . . . 3.81 1 1 48 1 . . . . . . . 5.3 1 1 49 1 . . . . . . . 3.82 1 1 50 1 . . . . . . . 3.82 1 1 51 1 . . . . . . . 4.75 1 1 52 1 . . . . . . . 4.14 1 1 53 1 . . . . . . . 4.75 1 1 54 1 . . . . . . . 5.5 1 1 55 1 . . . . . . . 5.5 1 1 56 1 . . . . . . . 4.66 1 1 57 1 . . . . . . . 4.66 1 1 58 1 . . . . . . . 4.05 1 1 59 1 . . . . . . . 5.5 1 1 60 1 . . . . . . . 4.55 1 1 61 1 . . . . . . . 5.5 1 1 62 1 . . . . . . . 3.93 1 1 63 1 . . . . . . . 3.93 1 1 64 1 . . . . . . . 4.47 1 1 65 1 . . . . . . . 3.1 1 1 66 1 . . . . . . . 3.28 1 1 67 1 . . . . . . . 3.38 1 1 68 1 . . . . . . . 4.6 1 1 69 1 . . . . . . . 2.83 1 1 70 1 . . . . . . . 3.14 1 1 71 1 . . . . . . . 2.75 1 1 72 1 . . . . . . . 3.14 1 1 73 1 . . . . . . . 2.93 1 1 74 1 . . . . . . . 4.18 1 1 75 1 . . . . . . . 3.59 1 1 76 1 . . . . . . . 4.18 1 1 77 1 . . . . . . . 5.34 1 1 78 1 . . . . . . . 5.34 1 1 79 1 . . . . . . . 3.42 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 -13.132 1.694 2.273 1.00 . A A . 1 PRO C 1 1 1 2 1 1 1 PRO CA C -12.969 3.121 1.800 1.00 . A A . 1 PRO CA 1 1 1 3 1 1 1 PRO CB C -12.275 3.135 0.442 1.00 . A A . 1 PRO CB 1 1 1 4 1 1 1 PRO CD C -10.911 4.341 2.000 1.00 . A A . 1 PRO CD 1 1 1 5 1 1 1 PRO CG C -10.856 3.462 0.772 1.00 . A A . 1 PRO CG 1 1 1 6 1 1 1 PRO H2 H -12.591 3.701 3.665 1.00 . A A . 1 PRO H2 1 1 1 7 1 1 1 PRO H3 H -12.102 4.850 2.623 1.00 . A A . 1 PRO H3 1 1 1 8 1 1 1 PRO HA H -13.929 3.610 1.724 1.00 . A A . 1 PRO HA 1 1 1 9 1 1 1 PRO HB2 H -12.361 2.161 -0.018 1.00 . A A . 1 PRO HB2 1 1 1 10 1 1 1 PRO HB3 H -12.715 3.888 -0.195 1.00 . A A . 1 PRO HB3 1 1 1 11 1 1 1 PRO HD2 H -9.975 4.271 2.541 1.00 . A A . 1 PRO HD2 1 1 1 12 1 1 1 PRO HD3 H -11.032 5.362 1.664 1.00 . A A . 1 PRO HD3 1 1 1 13 1 1 1 PRO HG2 H -10.311 2.554 0.985 1.00 . A A . 1 PRO HG2 1 1 1 14 1 1 1 PRO HG3 H -10.396 3.992 -0.049 1.00 . A A . 1 PRO HG3 1 1 1 15 1 1 1 PRO N N -12.126 3.822 2.745 1.00 . A A . 1 PRO N 1 1 1 16 1 1 1 PRO O O -12.234 1.158 2.922 1.00 . A A . 1 PRO O 1 1 1 17 1 1 2 MET C C -13.605 -1.237 1.587 1.00 . A A . 2 MET C 1 1 1 18 1 1 2 MET CA C -14.506 -0.308 2.373 1.00 . A A . 2 MET CA 1 1 1 19 1 1 2 MET CB C -15.980 -0.725 2.205 1.00 . A A . 2 MET CB 1 1 1 20 1 1 2 MET CE C -19.055 -0.209 1.785 1.00 . A A . 2 MET CE 1 1 1 21 1 1 2 MET CG C -16.519 -0.675 0.776 1.00 . A A . 2 MET CG 1 1 1 22 1 1 2 MET H H -14.966 1.582 1.500 1.00 . A A . 2 MET H 1 1 1 23 1 1 2 MET HA H -14.234 -0.388 3.415 1.00 . A A . 2 MET HA 1 1 1 24 1 1 2 MET HB2 H -16.089 -1.738 2.561 1.00 . A A . 2 MET HB2 1 1 1 25 1 1 2 MET HB3 H -16.583 -0.074 2.819 1.00 . A A . 2 MET HB3 1 1 1 26 1 1 2 MET HE1 H -18.627 -0.310 2.771 1.00 . A A . 2 MET HE1 1 1 1 27 1 1 2 MET HE2 H -20.100 -0.478 1.829 1.00 . A A . 2 MET HE2 1 1 1 28 1 1 2 MET HE3 H -18.955 0.813 1.448 1.00 . A A . 2 MET HE3 1 1 1 29 1 1 2 MET HG2 H -16.512 0.352 0.444 1.00 . A A . 2 MET HG2 1 1 1 30 1 1 2 MET HG3 H -15.874 -1.263 0.139 1.00 . A A . 2 MET HG3 1 1 1 31 1 1 2 MET N N -14.268 1.079 1.980 1.00 . A A . 2 MET N 1 1 1 32 1 1 2 MET O O -13.186 -2.287 2.085 1.00 . A A . 2 MET O 1 1 1 33 1 1 2 MET SD S -18.210 -1.307 0.643 1.00 . A A . 2 MET SD 1 1 1 34 1 1 3 ALA C C -11.006 -1.443 0.044 1.00 . A A . 3 ALA C 1 1 1 35 1 1 3 ALA CA C -12.418 -1.569 -0.479 1.00 . A A . 3 ALA CA 1 1 1 36 1 1 3 ALA CB C -12.510 -1.064 -1.909 1.00 . A A . 3 ALA CB 1 1 1 37 1 1 3 ALA H H -13.670 0.012 0.038 1.00 . A A . 3 ALA H 1 1 1 38 1 1 3 ALA HA H -12.718 -2.606 -0.454 1.00 . A A . 3 ALA HA 1 1 1 39 1 1 3 ALA HB1 H -12.211 -0.027 -1.943 1.00 . A A . 3 ALA HB1 1 1 1 40 1 1 3 ALA HB2 H -13.528 -1.156 -2.260 1.00 . A A . 3 ALA HB2 1 1 1 41 1 1 3 ALA HB3 H -11.856 -1.648 -2.538 1.00 . A A . 3 ALA HB3 1 1 1 42 1 1 3 ALA N N -13.296 -0.832 0.372 1.00 . A A . 3 ALA N 1 1 1 43 1 1 3 ALA O O -10.555 -0.351 0.411 1.00 . A A . 3 ALA O 1 1 1 44 1 1 4 LYS C C -7.937 -2.125 -0.368 1.00 . A A . 4 LYS C 1 1 1 45 1 1 4 LYS CA C -8.979 -2.598 0.627 1.00 . A A . 4 LYS CA 1 1 1 46 1 1 4 LYS CB C -8.625 -3.993 1.197 1.00 . A A . 4 LYS CB 1 1 1 47 1 1 4 LYS CD C -10.880 -4.769 2.109 1.00 . A A . 4 LYS CD 1 1 1 48 1 1 4 LYS CE C -11.707 -5.046 3.357 1.00 . A A . 4 LYS CE 1 1 1 49 1 1 4 LYS CG C -9.434 -4.412 2.438 1.00 . A A . 4 LYS CG 1 1 1 50 1 1 4 LYS H H -10.724 -3.362 -0.276 1.00 . A A . 4 LYS H 1 1 1 51 1 1 4 LYS HA H -8.969 -1.891 1.444 1.00 . A A . 4 LYS HA 1 1 1 52 1 1 4 LYS HB2 H -8.793 -4.731 0.426 1.00 . A A . 4 LYS HB2 1 1 1 53 1 1 4 LYS HB3 H -7.577 -4.000 1.457 1.00 . A A . 4 LYS HB3 1 1 1 54 1 1 4 LYS HD2 H -11.329 -3.944 1.576 1.00 . A A . 4 LYS HD2 1 1 1 55 1 1 4 LYS HD3 H -10.886 -5.645 1.478 1.00 . A A . 4 LYS HD3 1 1 1 56 1 1 4 LYS HE2 H -12.665 -5.445 3.059 1.00 . A A . 4 LYS HE2 1 1 1 57 1 1 4 LYS HE3 H -11.188 -5.783 3.951 1.00 . A A . 4 LYS HE3 1 1 1 58 1 1 4 LYS HG2 H -8.963 -5.270 2.893 1.00 . A A . 4 LYS HG2 1 1 1 59 1 1 4 LYS HG3 H -9.426 -3.589 3.137 1.00 . A A . 4 LYS HG3 1 1 1 60 1 1 4 LYS HZ1 H -11.024 -3.455 4.548 1.00 . A A . 4 LYS HZ1 1 1 1 61 1 1 4 LYS HZ2 H -12.550 -4.039 4.974 1.00 . A A . 4 LYS HZ2 1 1 1 62 1 1 4 LYS HZ3 H -12.375 -3.089 3.600 1.00 . A A . 4 LYS HZ3 1 1 1 63 1 1 4 LYS N N -10.316 -2.541 0.081 1.00 . A A . 4 LYS N 1 1 1 64 1 1 4 LYS NZ N -11.919 -3.829 4.175 1.00 . A A . 4 LYS NZ 1 1 1 65 1 1 4 LYS O O -6.776 -1.985 -0.021 1.00 . A A . 4 LYS O 1 1 1 66 1 1 5 LEU C C -6.645 -0.242 -2.342 1.00 . A A . 5 LEU C 1 1 1 67 1 1 5 LEU CA C -7.494 -1.468 -2.698 1.00 . A A . 5 LEU CA 1 1 1 68 1 1 5 LEU CB C -8.278 -1.225 -4.013 1.00 . A A . 5 LEU CB 1 1 1 69 1 1 5 LEU CD1 C -9.833 -3.247 -3.986 1.00 . A A . 5 LEU CD1 1 1 1 70 1 1 5 LEU CD2 C -9.376 -2.071 -6.124 1.00 . A A . 5 LEU CD2 1 1 1 71 1 1 5 LEU CG C -8.802 -2.471 -4.778 1.00 . A A . 5 LEU CG 1 1 1 72 1 1 5 LEU H H -9.325 -2.019 -1.763 1.00 . A A . 5 LEU H 1 1 1 73 1 1 5 LEU HA H -6.808 -2.286 -2.866 1.00 . A A . 5 LEU HA 1 1 1 74 1 1 5 LEU HB2 H -9.129 -0.602 -3.779 1.00 . A A . 5 LEU HB2 1 1 1 75 1 1 5 LEU HB3 H -7.634 -0.671 -4.680 1.00 . A A . 5 LEU HB3 1 1 1 76 1 1 5 LEU HD11 H -10.134 -4.113 -4.556 1.00 . A A . 5 LEU HD11 1 1 1 77 1 1 5 LEU HD12 H -10.694 -2.619 -3.815 1.00 . A A . 5 LEU HD12 1 1 1 78 1 1 5 LEU HD13 H -9.412 -3.561 -3.042 1.00 . A A . 5 LEU HD13 1 1 1 79 1 1 5 LEU HD21 H -10.181 -1.366 -5.978 1.00 . A A . 5 LEU HD21 1 1 1 80 1 1 5 LEU HD22 H -9.759 -2.949 -6.622 1.00 . A A . 5 LEU HD22 1 1 1 81 1 1 5 LEU HD23 H -8.605 -1.621 -6.731 1.00 . A A . 5 LEU HD23 1 1 1 82 1 1 5 LEU HG H -7.971 -3.136 -4.962 1.00 . A A . 5 LEU HG 1 1 1 83 1 1 5 LEU N N -8.368 -1.897 -1.599 1.00 . A A . 5 LEU N 1 1 1 84 1 1 5 LEU O O -5.434 -0.296 -2.467 1.00 . A A . 5 LEU O 1 1 1 85 1 1 6 LEU C C -5.478 1.785 -0.367 1.00 . A A . 6 LEU C 1 1 1 86 1 1 6 LEU CA C -6.522 2.050 -1.501 1.00 . A A . 6 LEU CA 1 1 1 87 1 1 6 LEU CB C -7.458 3.236 -1.178 1.00 . A A . 6 LEU CB 1 1 1 88 1 1 6 LEU CD1 C -5.988 5.095 -2.023 1.00 . A A . 6 LEU CD1 1 1 1 89 1 1 6 LEU CD2 C -7.811 5.593 -0.386 1.00 . A A . 6 LEU CD2 1 1 1 90 1 1 6 LEU CG C -6.782 4.569 -0.836 1.00 . A A . 6 LEU CG 1 1 1 91 1 1 6 LEU H H -8.246 0.821 -1.770 1.00 . A A . 6 LEU H 1 1 1 92 1 1 6 LEU HA H -5.944 2.291 -2.382 1.00 . A A . 6 LEU HA 1 1 1 93 1 1 6 LEU HB2 H -8.069 3.407 -2.051 1.00 . A A . 6 LEU HB2 1 1 1 94 1 1 6 LEU HB3 H -8.110 2.966 -0.361 1.00 . A A . 6 LEU HB3 1 1 1 95 1 1 6 LEU HD11 H -5.529 6.036 -1.757 1.00 . A A . 6 LEU HD11 1 1 1 96 1 1 6 LEU HD12 H -6.650 5.243 -2.863 1.00 . A A . 6 LEU HD12 1 1 1 97 1 1 6 LEU HD13 H -5.220 4.383 -2.289 1.00 . A A . 6 LEU HD13 1 1 1 98 1 1 6 LEU HD21 H -7.313 6.521 -0.146 1.00 . A A . 6 LEU HD21 1 1 1 99 1 1 6 LEU HD22 H -8.329 5.226 0.488 1.00 . A A . 6 LEU HD22 1 1 1 100 1 1 6 LEU HD23 H -8.521 5.762 -1.182 1.00 . A A . 6 LEU HD23 1 1 1 101 1 1 6 LEU HG H -6.089 4.405 -0.024 1.00 . A A . 6 LEU HG 1 1 1 102 1 1 6 LEU N N -7.271 0.833 -1.867 1.00 . A A . 6 LEU N 1 1 1 103 1 1 6 LEU O O -4.306 2.169 -0.517 1.00 . A A . 6 LEU O 1 1 1 104 1 1 7 PRO C C -3.777 -0.159 1.223 1.00 . A A . 7 PRO C 1 1 1 105 1 1 7 PRO CA C -4.894 0.726 1.816 1.00 . A A . 7 PRO CA 1 1 1 106 1 1 7 PRO CB C -5.739 -0.082 2.803 1.00 . A A . 7 PRO CB 1 1 1 107 1 1 7 PRO CD C -7.262 0.890 1.249 1.00 . A A . 7 PRO CD 1 1 1 108 1 1 7 PRO CG C -7.098 0.503 2.691 1.00 . A A . 7 PRO CG 1 1 1 109 1 1 7 PRO HA H -4.450 1.576 2.313 1.00 . A A . 7 PRO HA 1 1 1 110 1 1 7 PRO HB2 H -5.729 -1.124 2.516 1.00 . A A . 7 PRO HB2 1 1 1 111 1 1 7 PRO HB3 H -5.342 0.027 3.801 1.00 . A A . 7 PRO HB3 1 1 1 112 1 1 7 PRO HD2 H -7.711 0.083 0.688 1.00 . A A . 7 PRO HD2 1 1 1 113 1 1 7 PRO HD3 H -7.863 1.784 1.181 1.00 . A A . 7 PRO HD3 1 1 1 114 1 1 7 PRO HG2 H -7.839 -0.230 2.973 1.00 . A A . 7 PRO HG2 1 1 1 115 1 1 7 PRO HG3 H -7.175 1.376 3.323 1.00 . A A . 7 PRO HG3 1 1 1 116 1 1 7 PRO N N -5.870 1.149 0.792 1.00 . A A . 7 PRO N 1 1 1 117 1 1 7 PRO O O -2.607 -0.045 1.606 1.00 . A A . 7 PRO O 1 1 1 118 1 1 8 ARG C C -2.189 -1.071 -1.190 1.00 . A A . 8 ARG C 1 1 1 119 1 1 8 ARG CA C -3.177 -1.895 -0.393 1.00 . A A . 8 ARG CA 1 1 1 120 1 1 8 ARG CB C -3.872 -2.907 -1.294 1.00 . A A . 8 ARG CB 1 1 1 121 1 1 8 ARG CD C -5.358 -4.912 -1.492 1.00 . A A . 8 ARG CD 1 1 1 122 1 1 8 ARG CG C -4.512 -4.068 -0.555 1.00 . A A . 8 ARG CG 1 1 1 123 1 1 8 ARG CZ C -5.147 -5.954 -3.744 1.00 . A A . 8 ARG CZ 1 1 1 124 1 1 8 ARG H H -5.098 -1.093 0.058 1.00 . A A . 8 ARG H 1 1 1 125 1 1 8 ARG HA H -2.629 -2.426 0.372 1.00 . A A . 8 ARG HA 1 1 1 126 1 1 8 ARG HB2 H -4.645 -2.396 -1.848 1.00 . A A . 8 ARG HB2 1 1 1 127 1 1 8 ARG HB3 H -3.149 -3.301 -1.991 1.00 . A A . 8 ARG HB3 1 1 1 128 1 1 8 ARG HD2 H -5.678 -5.800 -0.967 1.00 . A A . 8 ARG HD2 1 1 1 129 1 1 8 ARG HD3 H -6.226 -4.341 -1.787 1.00 . A A . 8 ARG HD3 1 1 1 130 1 1 8 ARG HE H -3.671 -5.049 -2.696 1.00 . A A . 8 ARG HE 1 1 1 131 1 1 8 ARG HG2 H -3.732 -4.683 -0.132 1.00 . A A . 8 ARG HG2 1 1 1 132 1 1 8 ARG HG3 H -5.137 -3.680 0.236 1.00 . A A . 8 ARG HG3 1 1 1 133 1 1 8 ARG HH11 H -7.017 -6.205 -2.927 1.00 . A A . 8 ARG HH11 1 1 1 134 1 1 8 ARG HH12 H -6.846 -6.834 -4.491 1.00 . A A . 8 ARG HH12 1 1 1 135 1 1 8 ARG HH21 H -3.443 -5.887 -4.873 1.00 . A A . 8 ARG HH21 1 1 1 136 1 1 8 ARG HH22 H -4.753 -6.676 -5.626 1.00 . A A . 8 ARG HH22 1 1 1 137 1 1 8 ARG N N -4.143 -1.034 0.291 1.00 . A A . 8 ARG N 1 1 1 138 1 1 8 ARG NE N -4.620 -5.314 -2.694 1.00 . A A . 8 ARG NE 1 1 1 139 1 1 8 ARG NH1 N -6.418 -6.358 -3.717 1.00 . A A . 8 ARG NH1 1 1 1 140 1 1 8 ARG NH2 N -4.400 -6.187 -4.823 1.00 . A A . 8 ARG NH2 1 1 1 141 1 1 8 ARG O O -0.994 -1.338 -1.159 1.00 . A A . 8 ARG O 1 1 1 142 1 1 9 ILE C C -0.847 1.522 -1.698 1.00 . A A . 9 ILE C 1 1 1 143 1 1 9 ILE CA C -1.861 0.864 -2.633 1.00 . A A . 9 ILE CA 1 1 1 144 1 1 9 ILE CB C -2.705 1.952 -3.375 1.00 . A A . 9 ILE CB 1 1 1 145 1 1 9 ILE CD1 C -4.548 2.265 -5.141 1.00 . A A . 9 ILE CD1 1 1 1 146 1 1 9 ILE CG1 C -3.626 1.296 -4.419 1.00 . A A . 9 ILE CG1 1 1 1 147 1 1 9 ILE CG2 C -1.798 2.984 -4.042 1.00 . A A . 9 ILE CG2 1 1 1 148 1 1 9 ILE H H -3.672 0.065 -1.889 1.00 . A A . 9 ILE H 1 1 1 149 1 1 9 ILE HA H -1.319 0.280 -3.362 1.00 . A A . 9 ILE HA 1 1 1 150 1 1 9 ILE HB H -3.314 2.462 -2.644 1.00 . A A . 9 ILE HB 1 1 1 151 1 1 9 ILE HD11 H -5.183 2.764 -4.425 1.00 . A A . 9 ILE HD11 1 1 1 152 1 1 9 ILE HD12 H -5.159 1.722 -5.846 1.00 . A A . 9 ILE HD12 1 1 1 153 1 1 9 ILE HD13 H -3.955 2.999 -5.668 1.00 . A A . 9 ILE HD13 1 1 1 154 1 1 9 ILE HG12 H -3.018 0.809 -5.167 1.00 . A A . 9 ILE HG12 1 1 1 155 1 1 9 ILE HG13 H -4.240 0.556 -3.927 1.00 . A A . 9 ILE HG13 1 1 1 156 1 1 9 ILE HG21 H -1.195 3.470 -3.290 1.00 . A A . 9 ILE HG21 1 1 1 157 1 1 9 ILE HG22 H -2.402 3.720 -4.552 1.00 . A A . 9 ILE HG22 1 1 1 158 1 1 9 ILE HG23 H -1.155 2.489 -4.755 1.00 . A A . 9 ILE HG23 1 1 1 159 1 1 9 ILE N N -2.696 -0.055 -1.879 1.00 . A A . 9 ILE N 1 1 1 160 1 1 9 ILE O O 0.337 1.549 -1.994 1.00 . A A . 9 ILE O 1 1 1 161 1 1 10 LYS C C 0.648 1.639 0.930 1.00 . A A . 10 LYS C 1 1 1 162 1 1 10 LYS CA C -0.439 2.608 0.469 1.00 . A A . 10 LYS CA 1 1 1 163 1 1 10 LYS CB C -1.238 3.118 1.677 1.00 . A A . 10 LYS CB 1 1 1 164 1 1 10 LYS CD C -1.272 5.535 0.985 1.00 . A A . 10 LYS CD 1 1 1 165 1 1 10 LYS CE C -2.097 6.809 0.870 1.00 . A A . 10 LYS CE 1 1 1 166 1 1 10 LYS CG C -2.115 4.334 1.404 1.00 . A A . 10 LYS CG 1 1 1 167 1 1 10 LYS H H -2.281 1.907 -0.368 1.00 . A A . 10 LYS H 1 1 1 168 1 1 10 LYS HA H 0.051 3.446 -0.004 1.00 . A A . 10 LYS HA 1 1 1 169 1 1 10 LYS HB2 H -1.876 2.319 2.027 1.00 . A A . 10 LYS HB2 1 1 1 170 1 1 10 LYS HB3 H -0.544 3.371 2.465 1.00 . A A . 10 LYS HB3 1 1 1 171 1 1 10 LYS HD2 H -0.491 5.692 1.714 1.00 . A A . 10 LYS HD2 1 1 1 172 1 1 10 LYS HD3 H -0.825 5.326 0.025 1.00 . A A . 10 LYS HD3 1 1 1 173 1 1 10 LYS HE2 H -2.543 7.016 1.831 1.00 . A A . 10 LYS HE2 1 1 1 174 1 1 10 LYS HE3 H -1.437 7.622 0.606 1.00 . A A . 10 LYS HE3 1 1 1 175 1 1 10 LYS HG2 H -2.810 4.097 0.611 1.00 . A A . 10 LYS HG2 1 1 1 176 1 1 10 LYS HG3 H -2.661 4.583 2.302 1.00 . A A . 10 LYS HG3 1 1 1 177 1 1 10 LYS HZ1 H -2.801 6.441 -1.070 1.00 . A A . 10 LYS HZ1 1 1 1 178 1 1 10 LYS HZ2 H -3.629 7.633 -0.241 1.00 . A A . 10 LYS HZ2 1 1 1 179 1 1 10 LYS HZ3 H -3.899 6.023 0.161 1.00 . A A . 10 LYS HZ3 1 1 1 180 1 1 10 LYS N N -1.317 1.991 -0.539 1.00 . A A . 10 LYS N 1 1 1 181 1 1 10 LYS NZ N -3.174 6.705 -0.137 1.00 . A A . 10 LYS NZ 1 1 1 182 1 1 10 LYS O O 1.821 2.014 1.049 1.00 . A A . 10 LYS O 1 1 1 183 1 1 11 LYS C C 2.215 -0.907 0.454 1.00 . A A . 11 LYS C 1 1 1 184 1 1 11 LYS CA C 1.172 -0.654 1.549 1.00 . A A . 11 LYS CA 1 1 1 185 1 1 11 LYS CB C 0.380 -1.924 1.857 1.00 . A A . 11 LYS CB 1 1 1 186 1 1 11 LYS CD C 0.318 -4.296 2.588 1.00 . A A . 11 LYS CD 1 1 1 187 1 1 11 LYS CE C 1.115 -5.528 2.950 1.00 . A A . 11 LYS CE 1 1 1 188 1 1 11 LYS CG C 1.213 -3.119 2.278 1.00 . A A . 11 LYS CG 1 1 1 189 1 1 11 LYS H H -0.696 0.189 1.038 1.00 . A A . 11 LYS H 1 1 1 190 1 1 11 LYS HA H 1.679 -0.329 2.446 1.00 . A A . 11 LYS HA 1 1 1 191 1 1 11 LYS HB2 H -0.314 -1.708 2.654 1.00 . A A . 11 LYS HB2 1 1 1 192 1 1 11 LYS HB3 H -0.181 -2.195 0.974 1.00 . A A . 11 LYS HB3 1 1 1 193 1 1 11 LYS HD2 H -0.316 -4.037 3.422 1.00 . A A . 11 LYS HD2 1 1 1 194 1 1 11 LYS HD3 H -0.294 -4.507 1.725 1.00 . A A . 11 LYS HD3 1 1 1 195 1 1 11 LYS HE2 H 1.755 -5.780 2.117 1.00 . A A . 11 LYS HE2 1 1 1 196 1 1 11 LYS HE3 H 1.725 -5.321 3.816 1.00 . A A . 11 LYS HE3 1 1 1 197 1 1 11 LYS HG2 H 1.882 -3.383 1.472 1.00 . A A . 11 LYS HG2 1 1 1 198 1 1 11 LYS HG3 H 1.785 -2.864 3.158 1.00 . A A . 11 LYS HG3 1 1 1 199 1 1 11 LYS HZ1 H -0.454 -6.446 3.982 1.00 . A A . 11 LYS HZ1 1 1 1 200 1 1 11 LYS HZ2 H 0.787 -7.490 3.558 1.00 . A A . 11 LYS HZ2 1 1 1 201 1 1 11 LYS HZ3 H -0.288 -6.967 2.388 1.00 . A A . 11 LYS HZ3 1 1 1 202 1 1 11 LYS N N 0.258 0.399 1.143 1.00 . A A . 11 LYS N 1 1 1 203 1 1 11 LYS NZ N 0.234 -6.673 3.237 1.00 . A A . 11 LYS NZ 1 1 1 204 1 1 11 LYS O O 3.403 -1.104 0.740 1.00 . A A . 11 LYS O 1 1 1 205 1 1 12 LYS C C 3.592 0.142 -2.085 1.00 . A A . 12 LYS C 1 1 1 206 1 1 12 LYS CA C 2.651 -1.045 -1.936 1.00 . A A . 12 LYS CA 1 1 1 207 1 1 12 LYS CB C 1.857 -1.256 -3.228 1.00 . A A . 12 LYS CB 1 1 1 208 1 1 12 LYS CD C 1.846 -3.803 -3.118 1.00 . A A . 12 LYS CD 1 1 1 209 1 1 12 LYS CE C 2.901 -3.926 -4.212 1.00 . A A . 12 LYS CE 1 1 1 210 1 1 12 LYS CG C 1.010 -2.528 -3.262 1.00 . A A . 12 LYS CG 1 1 1 211 1 1 12 LYS H H 0.805 -0.739 -0.940 1.00 . A A . 12 LYS H 1 1 1 212 1 1 12 LYS HA H 3.250 -1.924 -1.748 1.00 . A A . 12 LYS HA 1 1 1 213 1 1 12 LYS HB2 H 1.195 -0.412 -3.360 1.00 . A A . 12 LYS HB2 1 1 1 214 1 1 12 LYS HB3 H 2.546 -1.283 -4.058 1.00 . A A . 12 LYS HB3 1 1 1 215 1 1 12 LYS HD2 H 2.340 -3.800 -2.157 1.00 . A A . 12 LYS HD2 1 1 1 216 1 1 12 LYS HD3 H 1.186 -4.656 -3.171 1.00 . A A . 12 LYS HD3 1 1 1 217 1 1 12 LYS HE2 H 2.420 -3.857 -5.176 1.00 . A A . 12 LYS HE2 1 1 1 218 1 1 12 LYS HE3 H 3.606 -3.114 -4.106 1.00 . A A . 12 LYS HE3 1 1 1 219 1 1 12 LYS HG2 H 0.302 -2.488 -2.447 1.00 . A A . 12 LYS HG2 1 1 1 220 1 1 12 LYS HG3 H 0.471 -2.560 -4.197 1.00 . A A . 12 LYS HG3 1 1 1 221 1 1 12 LYS HZ1 H 4.425 -5.205 -4.805 1.00 . A A . 12 LYS HZ1 1 1 1 222 1 1 12 LYS HZ2 H 2.997 -5.991 -4.373 1.00 . A A . 12 LYS HZ2 1 1 1 223 1 1 12 LYS HZ3 H 4.010 -5.365 -3.175 1.00 . A A . 12 LYS HZ3 1 1 1 224 1 1 12 LYS N N 1.770 -0.870 -0.792 1.00 . A A . 12 LYS N 1 1 1 225 1 1 12 LYS NZ N 3.634 -5.206 -4.131 1.00 . A A . 12 LYS NZ 1 1 1 226 1 1 12 LYS O O 4.736 -0.014 -2.504 1.00 . A A . 12 LYS O 1 1 1 227 1 1 13 ILE C C 5.039 2.418 -0.726 1.00 . A A . 13 ILE C 1 1 1 228 1 1 13 ILE CA C 3.931 2.528 -1.776 1.00 . A A . 13 ILE CA 1 1 1 229 1 1 13 ILE CB C 3.080 3.812 -1.537 1.00 . A A . 13 ILE CB 1 1 1 230 1 1 13 ILE CD1 C 1.089 5.133 -2.444 1.00 . A A . 13 ILE CD1 1 1 1 231 1 1 13 ILE CG1 C 2.038 3.975 -2.650 1.00 . A A . 13 ILE CG1 1 1 1 232 1 1 13 ILE CG2 C 3.969 5.047 -1.470 1.00 . A A . 13 ILE CG2 1 1 1 233 1 1 13 ILE H H 2.163 1.382 -1.491 1.00 . A A . 13 ILE H 1 1 1 234 1 1 13 ILE HA H 4.393 2.581 -2.751 1.00 . A A . 13 ILE HA 1 1 1 235 1 1 13 ILE HB H 2.567 3.710 -0.593 1.00 . A A . 13 ILE HB 1 1 1 236 1 1 13 ILE HD11 H 0.392 5.179 -3.267 1.00 . A A . 13 ILE HD11 1 1 1 237 1 1 13 ILE HD12 H 1.656 6.050 -2.396 1.00 . A A . 13 ILE HD12 1 1 1 238 1 1 13 ILE HD13 H 0.549 4.995 -1.520 1.00 . A A . 13 ILE HD13 1 1 1 239 1 1 13 ILE HG12 H 2.545 4.137 -3.589 1.00 . A A . 13 ILE HG12 1 1 1 240 1 1 13 ILE HG13 H 1.451 3.070 -2.716 1.00 . A A . 13 ILE HG13 1 1 1 241 1 1 13 ILE HG21 H 3.363 5.919 -1.277 1.00 . A A . 13 ILE HG21 1 1 1 242 1 1 13 ILE HG22 H 4.484 5.167 -2.411 1.00 . A A . 13 ILE HG22 1 1 1 243 1 1 13 ILE HG23 H 4.687 4.918 -0.675 1.00 . A A . 13 ILE HG23 1 1 1 244 1 1 13 ILE N N 3.112 1.321 -1.745 1.00 . A A . 13 ILE N 1 1 1 245 1 1 13 ILE O O 6.196 2.750 -0.981 1.00 . A A . 13 ILE O 1 1 1 246 1 1 14 LEU C C 6.632 0.569 1.114 1.00 . A A . 14 LEU C 1 1 1 247 1 1 14 LEU CA C 5.664 1.685 1.498 1.00 . A A . 14 LEU CA 1 1 1 248 1 1 14 LEU CB C 4.980 1.377 2.828 1.00 . A A . 14 LEU CB 1 1 1 249 1 1 14 LEU CD1 C 3.488 2.048 4.714 1.00 . A A . 14 LEU CD1 1 1 1 250 1 1 14 LEU CD2 C 4.948 3.758 3.639 1.00 . A A . 14 LEU CD2 1 1 1 251 1 1 14 LEU CG C 4.120 2.497 3.416 1.00 . A A . 14 LEU CG 1 1 1 252 1 1 14 LEU H H 3.739 1.700 0.600 1.00 . A A . 14 LEU H 1 1 1 253 1 1 14 LEU HA H 6.238 2.594 1.599 1.00 . A A . 14 LEU HA 1 1 1 254 1 1 14 LEU HB2 H 4.353 0.509 2.688 1.00 . A A . 14 LEU HB2 1 1 1 255 1 1 14 LEU HB3 H 5.744 1.129 3.550 1.00 . A A . 14 LEU HB3 1 1 1 256 1 1 14 LEU HD11 H 2.889 2.852 5.116 1.00 . A A . 14 LEU HD11 1 1 1 257 1 1 14 LEU HD12 H 4.263 1.790 5.421 1.00 . A A . 14 LEU HD12 1 1 1 258 1 1 14 LEU HD13 H 2.862 1.187 4.535 1.00 . A A . 14 LEU HD13 1 1 1 259 1 1 14 LEU HD21 H 5.333 4.116 2.696 1.00 . A A . 14 LEU HD21 1 1 1 260 1 1 14 LEU HD22 H 5.772 3.534 4.300 1.00 . A A . 14 LEU HD22 1 1 1 261 1 1 14 LEU HD23 H 4.327 4.519 4.086 1.00 . A A . 14 LEU HD23 1 1 1 262 1 1 14 LEU HG H 3.325 2.731 2.723 1.00 . A A . 14 LEU HG 1 1 1 263 1 1 14 LEU N N 4.688 1.909 0.441 1.00 . A A . 14 LEU N 1 1 1 264 1 1 14 LEU O O 7.800 0.580 1.507 1.00 . A A . 14 LEU O 1 1 1 265 1 1 15 ALA C C 7.956 -0.950 -1.200 1.00 . A A . 15 ALA C 1 1 1 266 1 1 15 ALA CA C 6.958 -1.467 -0.175 1.00 . A A . 15 ALA CA 1 1 1 267 1 1 15 ALA CB C 6.077 -2.535 -0.792 1.00 . A A . 15 ALA CB 1 1 1 268 1 1 15 ALA H H 5.193 -0.339 0.093 1.00 . A A . 15 ALA H 1 1 1 269 1 1 15 ALA HA H 7.495 -1.897 0.658 1.00 . A A . 15 ALA HA 1 1 1 270 1 1 15 ALA HB1 H 5.552 -2.117 -1.639 1.00 . A A . 15 ALA HB1 1 1 1 271 1 1 15 ALA HB2 H 5.358 -2.878 -0.063 1.00 . A A . 15 ALA HB2 1 1 1 272 1 1 15 ALA HB3 H 6.689 -3.361 -1.120 1.00 . A A . 15 ALA HB3 1 1 1 273 1 1 15 ALA N N 6.146 -0.371 0.328 1.00 . A A . 15 ALA N 1 1 1 274 1 1 15 ALA O O 9.107 -1.373 -1.234 1.00 . A A . 15 ALA O 1 1 1 275 1 1 16 ALA C C 9.378 1.523 -2.364 1.00 . A A . 16 ALA C 1 1 1 276 1 1 16 ALA CA C 8.357 0.609 -3.031 1.00 . A A . 16 ALA CA 1 1 1 277 1 1 16 ALA CB C 7.514 1.386 -4.031 1.00 . A A . 16 ALA CB 1 1 1 278 1 1 16 ALA H H 6.561 0.243 -1.976 1.00 . A A . 16 ALA H 1 1 1 279 1 1 16 ALA HA H 8.881 -0.178 -3.554 1.00 . A A . 16 ALA HA 1 1 1 280 1 1 16 ALA HB1 H 6.807 0.718 -4.499 1.00 . A A . 16 ALA HB1 1 1 1 281 1 1 16 ALA HB2 H 8.156 1.821 -4.783 1.00 . A A . 16 ALA HB2 1 1 1 282 1 1 16 ALA HB3 H 6.981 2.172 -3.516 1.00 . A A . 16 ALA HB3 1 1 1 283 1 1 16 ALA N N 7.508 -0.017 -2.026 1.00 . A A . 16 ALA N 1 1 1 284 1 1 16 ALA O O 10.462 1.777 -2.904 1.00 . A A . 16 ALA O 1 1 1 285 1 1 17 ALA C C 11.016 2.024 0.222 1.00 . A A . 17 ALA C 1 1 1 286 1 1 17 ALA CA C 9.898 2.850 -0.397 1.00 . A A . 17 ALA CA 1 1 1 287 1 1 17 ALA CB C 9.109 3.577 0.680 1.00 . A A . 17 ALA CB 1 1 1 288 1 1 17 ALA H H 8.119 1.813 -0.861 1.00 . A A . 17 ALA H 1 1 1 289 1 1 17 ALA HA H 10.338 3.584 -1.056 1.00 . A A . 17 ALA HA 1 1 1 290 1 1 17 ALA HB1 H 8.679 2.854 1.357 1.00 . A A . 17 ALA HB1 1 1 1 291 1 1 17 ALA HB2 H 8.320 4.154 0.222 1.00 . A A . 17 ALA HB2 1 1 1 292 1 1 17 ALA HB3 H 9.768 4.234 1.227 1.00 . A A . 17 ALA HB3 1 1 1 293 1 1 17 ALA N N 9.024 2.010 -1.187 1.00 . A A . 17 ALA N 1 1 1 294 1 1 17 ALA O O 12.094 2.546 0.517 1.00 . A A . 17 ALA O 1 1 1 295 1 1 18 PHE C C 12.728 -0.542 -0.135 1.00 . A A . 18 PHE C 1 1 1 296 1 1 18 PHE CA C 11.731 -0.168 0.964 1.00 . A A . 18 PHE CA 1 1 1 297 1 1 18 PHE CB C 11.017 -1.416 1.538 1.00 . A A . 18 PHE CB 1 1 1 298 1 1 18 PHE CD1 C 12.315 -3.577 1.600 1.00 . A A . 18 PHE CD1 1 1 1 299 1 1 18 PHE CD2 C 12.341 -2.184 3.532 1.00 . A A . 18 PHE CD2 1 1 1 300 1 1 18 PHE CE1 C 13.130 -4.491 2.244 1.00 . A A . 18 PHE CE1 1 1 1 301 1 1 18 PHE CE2 C 13.155 -3.094 4.180 1.00 . A A . 18 PHE CE2 1 1 1 302 1 1 18 PHE CG C 11.912 -2.412 2.237 1.00 . A A . 18 PHE CG 1 1 1 303 1 1 18 PHE CZ C 13.550 -4.248 3.537 1.00 . A A . 18 PHE CZ 1 1 1 304 1 1 18 PHE H H 9.877 0.395 0.157 1.00 . A A . 18 PHE H 1 1 1 305 1 1 18 PHE HA H 12.254 0.345 1.757 1.00 . A A . 18 PHE HA 1 1 1 306 1 1 18 PHE HB2 H 10.275 -1.094 2.253 1.00 . A A . 18 PHE HB2 1 1 1 307 1 1 18 PHE HB3 H 10.516 -1.926 0.728 1.00 . A A . 18 PHE HB3 1 1 1 308 1 1 18 PHE HD1 H 11.988 -3.769 0.589 1.00 . A A . 18 PHE HD1 1 1 1 309 1 1 18 PHE HD2 H 12.035 -1.281 4.040 1.00 . A A . 18 PHE HD2 1 1 1 310 1 1 18 PHE HE1 H 13.438 -5.394 1.738 1.00 . A A . 18 PHE HE1 1 1 1 311 1 1 18 PHE HE2 H 13.482 -2.901 5.192 1.00 . A A . 18 PHE HE2 1 1 1 312 1 1 18 PHE HZ H 14.188 -4.956 4.045 1.00 . A A . 18 PHE HZ 1 1 1 313 1 1 18 PHE N N 10.758 0.745 0.410 1.00 . A A . 18 PHE N 1 1 1 314 1 1 18 PHE O O 12.461 -1.412 -0.978 1.00 . A A . 18 PHE O 1 1 1 315 1 1 19 LYS C C 16.092 -0.554 -0.567 1.00 . A A . 19 LYS C 1 1 1 316 1 1 19 LYS CA C 14.823 -0.027 -1.197 1.00 . A A . 19 LYS CA 1 1 1 317 1 1 19 LYS CB C 15.114 1.300 -1.903 1.00 . A A . 19 LYS CB 1 1 1 318 1 1 19 LYS CD C 14.281 3.318 -3.112 1.00 . A A . 19 LYS CD 1 1 1 319 1 1 19 LYS CE C 13.068 4.170 -3.461 1.00 . A A . 19 LYS CE 1 1 1 320 1 1 19 LYS CG C 13.888 2.035 -2.413 1.00 . A A . 19 LYS CG 1 1 1 321 1 1 19 LYS H H 14.002 0.821 0.531 1.00 . A A . 19 LYS H 1 1 1 322 1 1 19 LYS HA H 14.449 -0.738 -1.917 1.00 . A A . 19 LYS HA 1 1 1 323 1 1 19 LYS HB2 H 15.624 1.952 -1.211 1.00 . A A . 19 LYS HB2 1 1 1 324 1 1 19 LYS HB3 H 15.764 1.103 -2.741 1.00 . A A . 19 LYS HB3 1 1 1 325 1 1 19 LYS HD2 H 14.931 3.883 -2.461 1.00 . A A . 19 LYS HD2 1 1 1 326 1 1 19 LYS HD3 H 14.812 3.069 -4.018 1.00 . A A . 19 LYS HD3 1 1 1 327 1 1 19 LYS HE2 H 12.574 4.449 -2.543 1.00 . A A . 19 LYS HE2 1 1 1 328 1 1 19 LYS HE3 H 13.407 5.062 -3.966 1.00 . A A . 19 LYS HE3 1 1 1 329 1 1 19 LYS HG2 H 13.363 1.403 -3.114 1.00 . A A . 19 LYS HG2 1 1 1 330 1 1 19 LYS HG3 H 13.243 2.269 -1.579 1.00 . A A . 19 LYS HG3 1 1 1 331 1 1 19 LYS HZ1 H 11.333 4.118 -4.593 1.00 . A A . 19 LYS HZ1 1 1 1 332 1 1 19 LYS HZ2 H 11.640 2.680 -3.800 1.00 . A A . 19 LYS HZ2 1 1 1 333 1 1 19 LYS HZ3 H 12.534 3.083 -5.179 1.00 . A A . 19 LYS HZ3 1 1 1 334 1 1 19 LYS N N 13.831 0.157 -0.171 1.00 . A A . 19 LYS N 1 1 1 335 1 1 19 LYS NZ N 12.093 3.463 -4.319 1.00 . A A . 19 LYS NZ 1 1 1 336 1 1 19 LYS O O 16.954 0.254 -0.168 1.00 . A A . 19 LYS O 1 1 1 337 1 1 19 LYS OXT O 16.227 -1.779 -0.425 1.00 . A A . 19 LYS OXT 1 1 2 338 1 1 1 PRO C C -17.105 -0.587 1.879 1.00 . A A . 1 PRO C 1 1 2 339 1 1 1 PRO CA C -18.276 -1.523 2.017 1.00 . A A . 1 PRO CA 1 1 2 340 1 1 1 PRO CB C -17.933 -2.877 1.429 1.00 . A A . 1 PRO CB 1 1 2 341 1 1 1 PRO CD C -19.733 -1.917 0.145 1.00 . A A . 1 PRO CD 1 1 2 342 1 1 1 PRO CG C -18.520 -2.829 0.056 1.00 . A A . 1 PRO CG 1 1 2 343 1 1 1 PRO H2 H -19.539 -0.014 1.675 1.00 . A A . 1 PRO H2 1 1 2 344 1 1 1 PRO H3 H -20.287 -1.435 1.374 1.00 . A A . 1 PRO H3 1 1 2 345 1 1 1 PRO HA H -18.556 -1.627 3.056 1.00 . A A . 1 PRO HA 1 1 2 346 1 1 1 PRO HB2 H -16.858 -2.993 1.405 1.00 . A A . 1 PRO HB2 1 1 2 347 1 1 1 PRO HB3 H -18.380 -3.662 2.022 1.00 . A A . 1 PRO HB3 1 1 2 348 1 1 1 PRO HD2 H -19.914 -1.455 -0.818 1.00 . A A . 1 PRO HD2 1 1 2 349 1 1 1 PRO HD3 H -20.589 -2.535 0.376 1.00 . A A . 1 PRO HD3 1 1 2 350 1 1 1 PRO HG2 H -17.795 -2.426 -0.635 1.00 . A A . 1 PRO HG2 1 1 2 351 1 1 1 PRO HG3 H -18.817 -3.820 -0.252 1.00 . A A . 1 PRO HG3 1 1 2 352 1 1 1 PRO N N -19.376 -0.958 1.265 1.00 . A A . 1 PRO N 1 1 2 353 1 1 1 PRO O O -17.186 0.354 1.109 1.00 . A A . 1 PRO O 1 1 2 354 1 1 2 MET C C -13.936 -0.422 1.410 1.00 . A A . 2 MET C 1 1 2 355 1 1 2 MET CA C -14.885 0.062 2.493 1.00 . A A . 2 MET CA 1 1 2 356 1 1 2 MET CB C -14.191 0.271 3.872 1.00 . A A . 2 MET CB 1 1 2 357 1 1 2 MET CE C -10.955 0.119 4.150 1.00 . A A . 2 MET CE 1 1 2 358 1 1 2 MET CG C -13.510 -0.948 4.505 1.00 . A A . 2 MET CG 1 1 2 359 1 1 2 MET H H -15.964 -1.632 3.151 1.00 . A A . 2 MET H 1 1 2 360 1 1 2 MET HA H -15.288 1.005 2.156 1.00 . A A . 2 MET HA 1 1 2 361 1 1 2 MET HB2 H -13.441 1.038 3.761 1.00 . A A . 2 MET HB2 1 1 2 362 1 1 2 MET HB3 H -14.937 0.634 4.563 1.00 . A A . 2 MET HB3 1 1 2 363 1 1 2 MET HE1 H -10.948 0.289 5.216 1.00 . A A . 2 MET HE1 1 1 2 364 1 1 2 MET HE2 H -11.389 0.970 3.647 1.00 . A A . 2 MET HE2 1 1 2 365 1 1 2 MET HE3 H -9.940 -0.014 3.804 1.00 . A A . 2 MET HE3 1 1 2 366 1 1 2 MET HG2 H -13.363 -0.753 5.555 1.00 . A A . 2 MET HG2 1 1 2 367 1 1 2 MET HG3 H -14.167 -1.798 4.396 1.00 . A A . 2 MET HG3 1 1 2 368 1 1 2 MET N N -16.024 -0.829 2.587 1.00 . A A . 2 MET N 1 1 2 369 1 1 2 MET O O -13.963 -1.602 1.040 1.00 . A A . 2 MET O 1 1 2 370 1 1 2 MET SD S -11.902 -1.367 3.783 1.00 . A A . 2 MET SD 1 1 2 371 1 1 3 ALA C C -10.900 -0.295 0.355 1.00 . A A . 3 ALA C 1 1 2 372 1 1 3 ALA CA C -12.235 0.148 -0.185 1.00 . A A . 3 ALA CA 1 1 2 373 1 1 3 ALA CB C -12.057 1.340 -1.120 1.00 . A A . 3 ALA CB 1 1 2 374 1 1 3 ALA H H -13.140 1.383 1.238 1.00 . A A . 3 ALA H 1 1 2 375 1 1 3 ALA HA H -12.674 -0.658 -0.751 1.00 . A A . 3 ALA HA 1 1 2 376 1 1 3 ALA HB1 H -13.016 1.656 -1.501 1.00 . A A . 3 ALA HB1 1 1 2 377 1 1 3 ALA HB2 H -11.418 1.058 -1.944 1.00 . A A . 3 ALA HB2 1 1 2 378 1 1 3 ALA HB3 H -11.600 2.154 -0.577 1.00 . A A . 3 ALA HB3 1 1 2 379 1 1 3 ALA N N -13.138 0.468 0.886 1.00 . A A . 3 ALA N 1 1 2 380 1 1 3 ALA O O -10.111 0.520 0.825 1.00 . A A . 3 ALA O 1 1 2 381 1 1 4 LYS C C -8.264 -1.776 -0.248 1.00 . A A . 4 LYS C 1 1 2 382 1 1 4 LYS CA C -9.362 -2.146 0.735 1.00 . A A . 4 LYS CA 1 1 2 383 1 1 4 LYS CB C -9.407 -3.690 0.899 1.00 . A A . 4 LYS CB 1 1 2 384 1 1 4 LYS CD C -11.827 -4.117 1.588 1.00 . A A . 4 LYS CD 1 1 2 385 1 1 4 LYS CE C -12.755 -4.704 2.649 1.00 . A A . 4 LYS CE 1 1 2 386 1 1 4 LYS CG C -10.358 -4.244 1.974 1.00 . A A . 4 LYS CG 1 1 2 387 1 1 4 LYS H H -11.311 -2.182 -0.125 1.00 . A A . 4 LYS H 1 1 2 388 1 1 4 LYS HA H -9.139 -1.689 1.688 1.00 . A A . 4 LYS HA 1 1 2 389 1 1 4 LYS HB2 H -9.705 -4.118 -0.047 1.00 . A A . 4 LYS HB2 1 1 2 390 1 1 4 LYS HB3 H -8.407 -4.031 1.123 1.00 . A A . 4 LYS HB3 1 1 2 391 1 1 4 LYS HD2 H -12.066 -3.072 1.460 1.00 . A A . 4 LYS HD2 1 1 2 392 1 1 4 LYS HD3 H -11.986 -4.639 0.656 1.00 . A A . 4 LYS HD3 1 1 2 393 1 1 4 LYS HE2 H -12.537 -4.229 3.593 1.00 . A A . 4 LYS HE2 1 1 2 394 1 1 4 LYS HE3 H -13.777 -4.488 2.377 1.00 . A A . 4 LYS HE3 1 1 2 395 1 1 4 LYS HG2 H -10.130 -5.286 2.141 1.00 . A A . 4 LYS HG2 1 1 2 396 1 1 4 LYS HG3 H -10.188 -3.697 2.891 1.00 . A A . 4 LYS HG3 1 1 2 397 1 1 4 LYS HZ1 H -11.632 -6.404 3.144 1.00 . A A . 4 LYS HZ1 1 1 2 398 1 1 4 LYS HZ2 H -12.719 -6.636 1.886 1.00 . A A . 4 LYS HZ2 1 1 2 399 1 1 4 LYS HZ3 H -13.285 -6.561 3.456 1.00 . A A . 4 LYS HZ3 1 1 2 400 1 1 4 LYS N N -10.633 -1.589 0.267 1.00 . A A . 4 LYS N 1 1 2 401 1 1 4 LYS NZ N -12.583 -6.163 2.802 1.00 . A A . 4 LYS NZ 1 1 2 402 1 1 4 LYS O O -7.082 -1.852 0.058 1.00 . A A . 4 LYS O 1 1 2 403 1 1 5 LEU C C -6.863 0.148 -2.094 1.00 . A A . 5 LEU C 1 1 2 404 1 1 5 LEU CA C -7.830 -0.954 -2.520 1.00 . A A . 5 LEU CA 1 1 2 405 1 1 5 LEU CB C -8.682 -0.458 -3.690 1.00 . A A . 5 LEU CB 1 1 2 406 1 1 5 LEU CD1 C -10.540 -0.792 -5.342 1.00 . A A . 5 LEU CD1 1 1 2 407 1 1 5 LEU CD2 C -9.111 -2.738 -4.679 1.00 . A A . 5 LEU CD2 1 1 2 408 1 1 5 LEU CG C -9.746 -1.430 -4.217 1.00 . A A . 5 LEU CG 1 1 2 409 1 1 5 LEU H H -9.668 -1.324 -1.550 1.00 . A A . 5 LEU H 1 1 2 410 1 1 5 LEU HA H -7.269 -1.816 -2.850 1.00 . A A . 5 LEU HA 1 1 2 411 1 1 5 LEU HB2 H -9.182 0.446 -3.374 1.00 . A A . 5 LEU HB2 1 1 2 412 1 1 5 LEU HB3 H -8.019 -0.211 -4.504 1.00 . A A . 5 LEU HB3 1 1 2 413 1 1 5 LEU HD11 H -11.287 -1.487 -5.694 1.00 . A A . 5 LEU HD11 1 1 2 414 1 1 5 LEU HD12 H -9.877 -0.536 -6.155 1.00 . A A . 5 LEU HD12 1 1 2 415 1 1 5 LEU HD13 H -11.025 0.102 -4.980 1.00 . A A . 5 LEU HD13 1 1 2 416 1 1 5 LEU HD21 H -8.381 -2.531 -5.446 1.00 . A A . 5 LEU HD21 1 1 2 417 1 1 5 LEU HD22 H -9.877 -3.385 -5.080 1.00 . A A . 5 LEU HD22 1 1 2 418 1 1 5 LEU HD23 H -8.632 -3.225 -3.844 1.00 . A A . 5 LEU HD23 1 1 2 419 1 1 5 LEU HG H -10.437 -1.651 -3.417 1.00 . A A . 5 LEU HG 1 1 2 420 1 1 5 LEU N N -8.696 -1.353 -1.426 1.00 . A A . 5 LEU N 1 1 2 421 1 1 5 LEU O O -5.673 0.078 -2.396 1.00 . A A . 5 LEU O 1 1 2 422 1 1 6 LEU C C -5.454 1.873 0.067 1.00 . A A . 6 LEU C 1 1 2 423 1 1 6 LEU CA C -6.578 2.277 -0.921 1.00 . A A . 6 LEU CA 1 1 2 424 1 1 6 LEU CB C -7.460 3.427 -0.382 1.00 . A A . 6 LEU CB 1 1 2 425 1 1 6 LEU CD1 C -9.282 5.116 -0.703 1.00 . A A . 6 LEU CD1 1 1 2 426 1 1 6 LEU CD2 C -7.642 4.700 -2.539 1.00 . A A . 6 LEU CD2 1 1 2 427 1 1 6 LEU CG C -8.417 4.071 -1.389 1.00 . A A . 6 LEU CG 1 1 2 428 1 1 6 LEU H H -8.319 1.087 -1.092 1.00 . A A . 6 LEU H 1 1 2 429 1 1 6 LEU HA H -6.077 2.623 -1.813 1.00 . A A . 6 LEU HA 1 1 2 430 1 1 6 LEU HB2 H -8.062 3.053 0.431 1.00 . A A . 6 LEU HB2 1 1 2 431 1 1 6 LEU HB3 H -6.810 4.200 -0.001 1.00 . A A . 6 LEU HB3 1 1 2 432 1 1 6 LEU HD11 H -8.651 5.883 -0.277 1.00 . A A . 6 LEU HD11 1 1 2 433 1 1 6 LEU HD12 H -9.859 4.649 0.082 1.00 . A A . 6 LEU HD12 1 1 2 434 1 1 6 LEU HD13 H -9.950 5.560 -1.425 1.00 . A A . 6 LEU HD13 1 1 2 435 1 1 6 LEU HD21 H -7.085 3.939 -3.067 1.00 . A A . 6 LEU HD21 1 1 2 436 1 1 6 LEU HD22 H -6.958 5.440 -2.151 1.00 . A A . 6 LEU HD22 1 1 2 437 1 1 6 LEU HD23 H -8.334 5.174 -3.219 1.00 . A A . 6 LEU HD23 1 1 2 438 1 1 6 LEU HG H -9.070 3.310 -1.792 1.00 . A A . 6 LEU HG 1 1 2 439 1 1 6 LEU N N -7.378 1.134 -1.363 1.00 . A A . 6 LEU N 1 1 2 440 1 1 6 LEU O O -4.287 2.171 -0.196 1.00 . A A . 6 LEU O 1 1 2 441 1 1 7 PRO C C -3.701 -0.205 1.395 1.00 . A A . 7 PRO C 1 1 2 442 1 1 7 PRO CA C -4.712 0.699 2.122 1.00 . A A . 7 PRO CA 1 1 2 443 1 1 7 PRO CB C -5.478 -0.122 3.162 1.00 . A A . 7 PRO CB 1 1 2 444 1 1 7 PRO CD C -7.111 0.880 1.748 1.00 . A A . 7 PRO CD 1 1 2 445 1 1 7 PRO CG C -6.858 0.407 3.144 1.00 . A A . 7 PRO CG 1 1 2 446 1 1 7 PRO HA H -4.192 1.516 2.601 1.00 . A A . 7 PRO HA 1 1 2 447 1 1 7 PRO HB2 H -5.464 -1.161 2.867 1.00 . A A . 7 PRO HB2 1 1 2 448 1 1 7 PRO HB3 H -5.020 -0.009 4.134 1.00 . A A . 7 PRO HB3 1 1 2 449 1 1 7 PRO HD2 H -7.595 0.108 1.167 1.00 . A A . 7 PRO HD2 1 1 2 450 1 1 7 PRO HD3 H -7.720 1.769 1.784 1.00 . A A . 7 PRO HD3 1 1 2 451 1 1 7 PRO HG2 H -7.553 -0.379 3.403 1.00 . A A . 7 PRO HG2 1 1 2 452 1 1 7 PRO HG3 H -6.952 1.226 3.841 1.00 . A A . 7 PRO HG3 1 1 2 453 1 1 7 PRO N N -5.759 1.181 1.214 1.00 . A A . 7 PRO N 1 1 2 454 1 1 7 PRO O O -2.496 -0.142 1.655 1.00 . A A . 7 PRO O 1 1 2 455 1 1 8 ARG C C -2.425 -1.253 -1.260 1.00 . A A . 8 ARG C 1 1 2 456 1 1 8 ARG CA C -3.378 -1.948 -0.293 1.00 . A A . 8 ARG CA 1 1 2 457 1 1 8 ARG CB C -4.231 -2.965 -1.033 1.00 . A A . 8 ARG CB 1 1 2 458 1 1 8 ARG CD C -5.787 -4.924 -0.933 1.00 . A A . 8 ARG CD 1 1 2 459 1 1 8 ARG CG C -4.843 -4.032 -0.144 1.00 . A A . 8 ARG CG 1 1 2 460 1 1 8 ARG CZ C -5.792 -6.154 -3.104 1.00 . A A . 8 ARG CZ 1 1 2 461 1 1 8 ARG H H -5.173 -0.984 0.312 1.00 . A A . 8 ARG H 1 1 2 462 1 1 8 ARG HA H -2.774 -2.483 0.426 1.00 . A A . 8 ARG HA 1 1 2 463 1 1 8 ARG HB2 H -5.033 -2.442 -1.533 1.00 . A A . 8 ARG HB2 1 1 2 464 1 1 8 ARG HB3 H -3.617 -3.452 -1.774 1.00 . A A . 8 ARG HB3 1 1 2 465 1 1 8 ARG HD2 H -6.092 -5.749 -0.305 1.00 . A A . 8 ARG HD2 1 1 2 466 1 1 8 ARG HD3 H -6.657 -4.348 -1.215 1.00 . A A . 8 ARG HD3 1 1 2 467 1 1 8 ARG HE H -4.203 -5.245 -2.247 1.00 . A A . 8 ARG HE 1 1 2 468 1 1 8 ARG HG2 H -4.055 -4.635 0.280 1.00 . A A . 8 ARG HG2 1 1 2 469 1 1 8 ARG HG3 H -5.395 -3.547 0.647 1.00 . A A . 8 ARG HG3 1 1 2 470 1 1 8 ARG HH11 H -7.538 -6.301 -2.082 1.00 . A A . 8 ARG HH11 1 1 2 471 1 1 8 ARG HH12 H -7.577 -7.020 -3.622 1.00 . A A . 8 ARG HH12 1 1 2 472 1 1 8 ARG HH21 H -4.192 -6.261 -4.373 1.00 . A A . 8 ARG HH21 1 1 2 473 1 1 8 ARG HH22 H -5.595 -7.009 -4.959 1.00 . A A . 8 ARG HH22 1 1 2 474 1 1 8 ARG N N -4.203 -1.017 0.471 1.00 . A A . 8 ARG N 1 1 2 475 1 1 8 ARG NE N -5.157 -5.463 -2.151 1.00 . A A . 8 ARG NE 1 1 2 476 1 1 8 ARG NH1 N -7.048 -6.522 -2.928 1.00 . A A . 8 ARG NH1 1 1 2 477 1 1 8 ARG NH2 N -5.153 -6.500 -4.213 1.00 . A A . 8 ARG NH2 1 1 2 478 1 1 8 ARG O O -1.255 -1.628 -1.352 1.00 . A A . 8 ARG O 1 1 2 479 1 1 9 ILE C C -0.959 1.240 -2.145 1.00 . A A . 9 ILE C 1 1 2 480 1 1 9 ILE CA C -2.032 0.465 -2.913 1.00 . A A . 9 ILE CA 1 1 2 481 1 1 9 ILE CB C -2.813 1.392 -3.927 1.00 . A A . 9 ILE CB 1 1 2 482 1 1 9 ILE CD1 C -1.212 0.975 -5.892 1.00 . A A . 9 ILE CD1 1 1 2 483 1 1 9 ILE CG1 C -1.874 1.994 -4.989 1.00 . A A . 9 ILE CG1 1 1 2 484 1 1 9 ILE CG2 C -3.566 2.501 -3.220 1.00 . A A . 9 ILE CG2 1 1 2 485 1 1 9 ILE H H -3.837 0.048 -1.864 1.00 . A A . 9 ILE H 1 1 2 486 1 1 9 ILE HA H -1.518 -0.311 -3.462 1.00 . A A . 9 ILE HA 1 1 2 487 1 1 9 ILE HB H -3.543 0.776 -4.430 1.00 . A A . 9 ILE HB 1 1 2 488 1 1 9 ILE HD11 H -0.588 0.319 -5.303 1.00 . A A . 9 ILE HD11 1 1 2 489 1 1 9 ILE HD12 H -0.604 1.486 -6.624 1.00 . A A . 9 ILE HD12 1 1 2 490 1 1 9 ILE HD13 H -1.969 0.393 -6.396 1.00 . A A . 9 ILE HD13 1 1 2 491 1 1 9 ILE HG12 H -2.437 2.668 -5.617 1.00 . A A . 9 ILE HG12 1 1 2 492 1 1 9 ILE HG13 H -1.096 2.549 -4.487 1.00 . A A . 9 ILE HG13 1 1 2 493 1 1 9 ILE HG21 H -4.106 3.096 -3.942 1.00 . A A . 9 ILE HG21 1 1 2 494 1 1 9 ILE HG22 H -2.863 3.126 -2.689 1.00 . A A . 9 ILE HG22 1 1 2 495 1 1 9 ILE HG23 H -4.258 2.064 -2.517 1.00 . A A . 9 ILE HG23 1 1 2 496 1 1 9 ILE N N -2.900 -0.235 -1.971 1.00 . A A . 9 ILE N 1 1 2 497 1 1 9 ILE O O 0.182 1.368 -2.593 1.00 . A A . 9 ILE O 1 1 2 498 1 1 10 LYS C C 0.671 1.408 0.441 1.00 . A A . 10 LYS C 1 1 2 499 1 1 10 LYS CA C -0.375 2.378 -0.105 1.00 . A A . 10 LYS CA 1 1 2 500 1 1 10 LYS CB C -1.087 3.144 1.004 1.00 . A A . 10 LYS CB 1 1 2 501 1 1 10 LYS CD C -1.067 5.384 -0.169 1.00 . A A . 10 LYS CD 1 1 2 502 1 1 10 LYS CE C -1.905 6.538 -0.704 1.00 . A A . 10 LYS CE 1 1 2 503 1 1 10 LYS CG C -1.930 4.317 0.499 1.00 . A A . 10 LYS CG 1 1 2 504 1 1 10 LYS H H -2.245 1.584 -0.661 1.00 . A A . 10 LYS H 1 1 2 505 1 1 10 LYS HA H 0.152 3.080 -0.734 1.00 . A A . 10 LYS HA 1 1 2 506 1 1 10 LYS HB2 H -1.734 2.462 1.536 1.00 . A A . 10 LYS HB2 1 1 2 507 1 1 10 LYS HB3 H -0.344 3.529 1.687 1.00 . A A . 10 LYS HB3 1 1 2 508 1 1 10 LYS HD2 H -0.369 5.773 0.558 1.00 . A A . 10 LYS HD2 1 1 2 509 1 1 10 LYS HD3 H -0.519 4.943 -0.987 1.00 . A A . 10 LYS HD3 1 1 2 510 1 1 10 LYS HE2 H -2.595 6.153 -1.439 1.00 . A A . 10 LYS HE2 1 1 2 511 1 1 10 LYS HE3 H -2.462 6.976 0.111 1.00 . A A . 10 LYS HE3 1 1 2 512 1 1 10 LYS HG2 H -2.645 3.946 -0.221 1.00 . A A . 10 LYS HG2 1 1 2 513 1 1 10 LYS HG3 H -2.455 4.757 1.333 1.00 . A A . 10 LYS HG3 1 1 2 514 1 1 10 LYS HZ1 H -0.505 7.205 -2.128 1.00 . A A . 10 LYS HZ1 1 1 2 515 1 1 10 LYS HZ2 H -0.406 8.002 -0.648 1.00 . A A . 10 LYS HZ2 1 1 2 516 1 1 10 LYS HZ3 H -1.655 8.356 -1.702 1.00 . A A . 10 LYS HZ3 1 1 2 517 1 1 10 LYS N N -1.314 1.696 -0.957 1.00 . A A . 10 LYS N 1 1 2 518 1 1 10 LYS NZ N -1.064 7.584 -1.337 1.00 . A A . 10 LYS NZ 1 1 2 519 1 1 10 LYS O O 1.805 1.798 0.680 1.00 . A A . 10 LYS O 1 1 2 520 1 1 11 LYS C C 2.310 -1.095 -0.066 1.00 . A A . 11 LYS C 1 1 2 521 1 1 11 LYS CA C 1.255 -0.897 1.011 1.00 . A A . 11 LYS CA 1 1 2 522 1 1 11 LYS CB C 0.574 -2.247 1.298 1.00 . A A . 11 LYS CB 1 1 2 523 1 1 11 LYS CD C 0.327 -1.886 3.776 1.00 . A A . 11 LYS CD 1 1 2 524 1 1 11 LYS CE C -0.594 -2.044 4.975 1.00 . A A . 11 LYS CE 1 1 2 525 1 1 11 LYS CG C -0.376 -2.266 2.483 1.00 . A A . 11 LYS CG 1 1 2 526 1 1 11 LYS H H -0.637 -0.111 0.428 1.00 . A A . 11 LYS H 1 1 2 527 1 1 11 LYS HA H 1.745 -0.546 1.907 1.00 . A A . 11 LYS HA 1 1 2 528 1 1 11 LYS HB2 H 0.011 -2.533 0.422 1.00 . A A . 11 LYS HB2 1 1 2 529 1 1 11 LYS HB3 H 1.343 -2.986 1.465 1.00 . A A . 11 LYS HB3 1 1 2 530 1 1 11 LYS HD2 H 1.188 -2.524 3.909 1.00 . A A . 11 LYS HD2 1 1 2 531 1 1 11 LYS HD3 H 0.646 -0.857 3.713 1.00 . A A . 11 LYS HD3 1 1 2 532 1 1 11 LYS HE2 H -0.878 -3.082 5.048 1.00 . A A . 11 LYS HE2 1 1 2 533 1 1 11 LYS HE3 H -0.056 -1.760 5.868 1.00 . A A . 11 LYS HE3 1 1 2 534 1 1 11 LYS HG2 H -1.174 -1.561 2.303 1.00 . A A . 11 LYS HG2 1 1 2 535 1 1 11 LYS HG3 H -0.789 -3.259 2.584 1.00 . A A . 11 LYS HG3 1 1 2 536 1 1 11 LYS HZ1 H -1.600 -0.216 4.733 1.00 . A A . 11 LYS HZ1 1 1 2 537 1 1 11 LYS HZ2 H -2.366 -1.310 5.740 1.00 . A A . 11 LYS HZ2 1 1 2 538 1 1 11 LYS HZ3 H -2.409 -1.558 4.074 1.00 . A A . 11 LYS HZ3 1 1 2 539 1 1 11 LYS N N 0.299 0.134 0.592 1.00 . A A . 11 LYS N 1 1 2 540 1 1 11 LYS NZ N -1.818 -1.224 4.860 1.00 . A A . 11 LYS NZ 1 1 2 541 1 1 11 LYS O O 3.493 -1.271 0.231 1.00 . A A . 11 LYS O 1 1 2 542 1 1 12 LYS C C 3.700 0.006 -2.566 1.00 . A A . 12 LYS C 1 1 2 543 1 1 12 LYS CA C 2.758 -1.194 -2.455 1.00 . A A . 12 LYS CA 1 1 2 544 1 1 12 LYS CB C 1.916 -1.346 -3.702 1.00 . A A . 12 LYS CB 1 1 2 545 1 1 12 LYS CD C -0.009 -2.568 -4.771 1.00 . A A . 12 LYS CD 1 1 2 546 1 1 12 LYS CE C 0.608 -2.486 -6.143 1.00 . A A . 12 LYS CE 1 1 2 547 1 1 12 LYS CG C 1.029 -2.585 -3.671 1.00 . A A . 12 LYS CG 1 1 2 548 1 1 12 LYS H H 0.915 -0.957 -1.510 1.00 . A A . 12 LYS H 1 1 2 549 1 1 12 LYS HA H 3.345 -2.089 -2.319 1.00 . A A . 12 LYS HA 1 1 2 550 1 1 12 LYS HB2 H 1.291 -0.472 -3.811 1.00 . A A . 12 LYS HB2 1 1 2 551 1 1 12 LYS HB3 H 2.576 -1.422 -4.555 1.00 . A A . 12 LYS HB3 1 1 2 552 1 1 12 LYS HD2 H -0.585 -3.480 -4.716 1.00 . A A . 12 LYS HD2 1 1 2 553 1 1 12 LYS HD3 H -0.666 -1.725 -4.628 1.00 . A A . 12 LYS HD3 1 1 2 554 1 1 12 LYS HE2 H -0.199 -2.316 -6.832 1.00 . A A . 12 LYS HE2 1 1 2 555 1 1 12 LYS HE3 H 1.267 -1.630 -6.166 1.00 . A A . 12 LYS HE3 1 1 2 556 1 1 12 LYS HG2 H 1.648 -3.460 -3.795 1.00 . A A . 12 LYS HG2 1 1 2 557 1 1 12 LYS HG3 H 0.530 -2.631 -2.713 1.00 . A A . 12 LYS HG3 1 1 2 558 1 1 12 LYS HZ1 H 2.124 -3.886 -5.816 1.00 . A A . 12 LYS HZ1 1 1 2 559 1 1 12 LYS HZ2 H 1.792 -3.598 -7.443 1.00 . A A . 12 LYS HZ2 1 1 2 560 1 1 12 LYS HZ3 H 0.741 -4.538 -6.528 1.00 . A A . 12 LYS HZ3 1 1 2 561 1 1 12 LYS N N 1.875 -1.055 -1.317 1.00 . A A . 12 LYS N 1 1 2 562 1 1 12 LYS NZ N 1.365 -3.704 -6.502 1.00 . A A . 12 LYS NZ 1 1 2 563 1 1 12 LYS O O 4.844 -0.122 -3.015 1.00 . A A . 12 LYS O 1 1 2 564 1 1 13 ILE C C 5.014 2.301 -0.984 1.00 . A A . 13 ILE C 1 1 2 565 1 1 13 ILE CA C 4.022 2.368 -2.145 1.00 . A A . 13 ILE CA 1 1 2 566 1 1 13 ILE CB C 3.133 3.646 -2.026 1.00 . A A . 13 ILE CB 1 1 2 567 1 1 13 ILE CD1 C 2.858 3.843 -4.585 1.00 . A A . 13 ILE CD1 1 1 2 568 1 1 13 ILE CG1 C 2.175 3.762 -3.227 1.00 . A A . 13 ILE CG1 1 1 2 569 1 1 13 ILE CG2 C 3.975 4.914 -1.885 1.00 . A A . 13 ILE CG2 1 1 2 570 1 1 13 ILE H H 2.278 1.198 -1.873 1.00 . A A . 13 ILE H 1 1 2 571 1 1 13 ILE HA H 4.579 2.406 -3.069 1.00 . A A . 13 ILE HA 1 1 2 572 1 1 13 ILE HB H 2.542 3.548 -1.128 1.00 . A A . 13 ILE HB 1 1 2 573 1 1 13 ILE HD11 H 2.109 3.940 -5.355 1.00 . A A . 13 ILE HD11 1 1 2 574 1 1 13 ILE HD12 H 3.430 2.942 -4.758 1.00 . A A . 13 ILE HD12 1 1 2 575 1 1 13 ILE HD13 H 3.514 4.700 -4.609 1.00 . A A . 13 ILE HD13 1 1 2 576 1 1 13 ILE HG12 H 1.525 2.899 -3.242 1.00 . A A . 13 ILE HG12 1 1 2 577 1 1 13 ILE HG13 H 1.575 4.650 -3.102 1.00 . A A . 13 ILE HG13 1 1 2 578 1 1 13 ILE HG21 H 3.325 5.772 -1.790 1.00 . A A . 13 ILE HG21 1 1 2 579 1 1 13 ILE HG22 H 4.594 5.028 -2.762 1.00 . A A . 13 ILE HG22 1 1 2 580 1 1 13 ILE HG23 H 4.603 4.835 -1.009 1.00 . A A . 13 ILE HG23 1 1 2 581 1 1 13 ILE N N 3.216 1.160 -2.160 1.00 . A A . 13 ILE N 1 1 2 582 1 1 13 ILE O O 6.200 2.639 -1.138 1.00 . A A . 13 ILE O 1 1 2 583 1 1 14 LEU C C 6.488 0.713 1.131 1.00 . A A . 14 LEU C 1 1 2 584 1 1 14 LEU CA C 5.323 1.663 1.368 1.00 . A A . 14 LEU CA 1 1 2 585 1 1 14 LEU CB C 4.448 1.146 2.524 1.00 . A A . 14 LEU CB 1 1 2 586 1 1 14 LEU CD1 C 5.791 2.102 4.440 1.00 . A A . 14 LEU CD1 1 1 2 587 1 1 14 LEU CD2 C 4.215 0.200 4.837 1.00 . A A . 14 LEU CD2 1 1 2 588 1 1 14 LEU CG C 5.169 0.848 3.848 1.00 . A A . 14 LEU CG 1 1 2 589 1 1 14 LEU H H 3.569 1.603 0.210 1.00 . A A . 14 LEU H 1 1 2 590 1 1 14 LEU HA H 5.714 2.632 1.640 1.00 . A A . 14 LEU HA 1 1 2 591 1 1 14 LEU HB2 H 3.682 1.882 2.718 1.00 . A A . 14 LEU HB2 1 1 2 592 1 1 14 LEU HB3 H 3.968 0.239 2.192 1.00 . A A . 14 LEU HB3 1 1 2 593 1 1 14 LEU HD11 H 6.499 2.519 3.739 1.00 . A A . 14 LEU HD11 1 1 2 594 1 1 14 LEU HD12 H 6.303 1.849 5.357 1.00 . A A . 14 LEU HD12 1 1 2 595 1 1 14 LEU HD13 H 5.019 2.826 4.648 1.00 . A A . 14 LEU HD13 1 1 2 596 1 1 14 LEU HD21 H 4.735 0.003 5.763 1.00 . A A . 14 LEU HD21 1 1 2 597 1 1 14 LEU HD22 H 3.849 -0.729 4.425 1.00 . A A . 14 LEU HD22 1 1 2 598 1 1 14 LEU HD23 H 3.384 0.862 5.024 1.00 . A A . 14 LEU HD23 1 1 2 599 1 1 14 LEU HG H 5.971 0.153 3.652 1.00 . A A . 14 LEU HG 1 1 2 600 1 1 14 LEU N N 4.526 1.829 0.160 1.00 . A A . 14 LEU N 1 1 2 601 1 1 14 LEU O O 7.617 1.052 1.422 1.00 . A A . 14 LEU O 1 1 2 602 1 1 15 ALA C C 8.296 -0.964 -0.680 1.00 . A A . 15 ALA C 1 1 2 603 1 1 15 ALA CA C 7.228 -1.475 0.289 1.00 . A A . 15 ALA CA 1 1 2 604 1 1 15 ALA CB C 6.583 -2.737 -0.254 1.00 . A A . 15 ALA CB 1 1 2 605 1 1 15 ALA H H 5.265 -0.644 0.332 1.00 . A A . 15 ALA H 1 1 2 606 1 1 15 ALA HA H 7.705 -1.713 1.229 1.00 . A A . 15 ALA HA 1 1 2 607 1 1 15 ALA HB1 H 5.831 -3.077 0.440 1.00 . A A . 15 ALA HB1 1 1 2 608 1 1 15 ALA HB2 H 7.335 -3.502 -0.374 1.00 . A A . 15 ALA HB2 1 1 2 609 1 1 15 ALA HB3 H 6.124 -2.527 -1.209 1.00 . A A . 15 ALA HB3 1 1 2 610 1 1 15 ALA N N 6.203 -0.452 0.559 1.00 . A A . 15 ALA N 1 1 2 611 1 1 15 ALA O O 9.452 -1.401 -0.650 1.00 . A A . 15 ALA O 1 1 2 612 1 1 16 ALA C C 9.686 1.598 -1.762 1.00 . A A . 16 ALA C 1 1 2 613 1 1 16 ALA CA C 8.813 0.564 -2.468 1.00 . A A . 16 ALA CA 1 1 2 614 1 1 16 ALA CB C 8.032 1.208 -3.600 1.00 . A A . 16 ALA CB 1 1 2 615 1 1 16 ALA H H 6.965 0.238 -1.506 1.00 . A A . 16 ALA H 1 1 2 616 1 1 16 ALA HA H 9.442 -0.213 -2.879 1.00 . A A . 16 ALA HA 1 1 2 617 1 1 16 ALA HB1 H 8.716 1.679 -4.288 1.00 . A A . 16 ALA HB1 1 1 2 618 1 1 16 ALA HB2 H 7.357 1.947 -3.195 1.00 . A A . 16 ALA HB2 1 1 2 619 1 1 16 ALA HB3 H 7.461 0.452 -4.120 1.00 . A A . 16 ALA HB3 1 1 2 620 1 1 16 ALA N N 7.904 -0.040 -1.525 1.00 . A A . 16 ALA N 1 1 2 621 1 1 16 ALA O O 10.896 1.653 -1.969 1.00 . A A . 16 ALA O 1 1 2 622 1 1 17 ALA C C 10.629 2.883 0.934 1.00 . A A . 17 ALA C 1 1 2 623 1 1 17 ALA CA C 9.749 3.447 -0.177 1.00 . A A . 17 ALA CA 1 1 2 624 1 1 17 ALA CB C 8.737 4.421 0.387 1.00 . A A . 17 ALA CB 1 1 2 625 1 1 17 ALA H H 8.103 2.252 -0.754 1.00 . A A . 17 ALA H 1 1 2 626 1 1 17 ALA HA H 10.378 3.978 -0.876 1.00 . A A . 17 ALA HA 1 1 2 627 1 1 17 ALA HB1 H 9.255 5.242 0.856 1.00 . A A . 17 ALA HB1 1 1 2 628 1 1 17 ALA HB2 H 8.125 3.915 1.119 1.00 . A A . 17 ALA HB2 1 1 2 629 1 1 17 ALA HB3 H 8.109 4.797 -0.407 1.00 . A A . 17 ALA HB3 1 1 2 630 1 1 17 ALA N N 9.064 2.387 -0.903 1.00 . A A . 17 ALA N 1 1 2 631 1 1 17 ALA O O 11.672 3.462 1.291 1.00 . A A . 17 ALA O 1 1 2 632 1 1 18 PHE C C 11.964 0.162 1.870 1.00 . A A . 18 PHE C 1 1 2 633 1 1 18 PHE CA C 10.946 1.096 2.514 1.00 . A A . 18 PHE CA 1 1 2 634 1 1 18 PHE CB C 9.983 0.339 3.458 1.00 . A A . 18 PHE CB 1 1 2 635 1 1 18 PHE CD1 C 10.865 -1.627 4.757 1.00 . A A . 18 PHE CD1 1 1 2 636 1 1 18 PHE CD2 C 10.950 0.528 5.764 1.00 . A A . 18 PHE CD2 1 1 2 637 1 1 18 PHE CE1 C 11.434 -2.182 5.882 1.00 . A A . 18 PHE CE1 1 1 2 638 1 1 18 PHE CE2 C 11.520 -0.022 6.893 1.00 . A A . 18 PHE CE2 1 1 2 639 1 1 18 PHE CG C 10.617 -0.266 4.684 1.00 . A A . 18 PHE CG 1 1 2 640 1 1 18 PHE CZ C 11.763 -1.379 6.952 1.00 . A A . 18 PHE CZ 1 1 2 641 1 1 18 PHE H H 9.358 1.383 1.186 1.00 . A A . 18 PHE H 1 1 2 642 1 1 18 PHE HA H 11.485 1.842 3.078 1.00 . A A . 18 PHE HA 1 1 2 643 1 1 18 PHE HB2 H 9.217 1.022 3.796 1.00 . A A . 18 PHE HB2 1 1 2 644 1 1 18 PHE HB3 H 9.510 -0.454 2.899 1.00 . A A . 18 PHE HB3 1 1 2 645 1 1 18 PHE HD1 H 10.609 -2.259 3.918 1.00 . A A . 18 PHE HD1 1 1 2 646 1 1 18 PHE HD2 H 10.761 1.590 5.722 1.00 . A A . 18 PHE HD2 1 1 2 647 1 1 18 PHE HE1 H 11.621 -3.246 5.926 1.00 . A A . 18 PHE HE1 1 1 2 648 1 1 18 PHE HE2 H 11.776 0.610 7.732 1.00 . A A . 18 PHE HE2 1 1 2 649 1 1 18 PHE HZ H 12.211 -1.808 7.837 1.00 . A A . 18 PHE HZ 1 1 2 650 1 1 18 PHE N N 10.212 1.772 1.482 1.00 . A A . 18 PHE N 1 1 2 651 1 1 18 PHE O O 11.777 -1.063 1.798 1.00 . A A . 18 PHE O 1 1 2 652 1 1 19 LYS C C 15.212 1.024 0.560 1.00 . A A . 19 LYS C 1 1 2 653 1 1 19 LYS CA C 14.055 0.068 0.674 1.00 . A A . 19 LYS CA 1 1 2 654 1 1 19 LYS CB C 13.627 -0.417 -0.723 1.00 . A A . 19 LYS CB 1 1 2 655 1 1 19 LYS CD C 14.248 -1.690 -2.824 1.00 . A A . 19 LYS CD 1 1 2 656 1 1 19 LYS CE C 14.261 -0.518 -3.801 1.00 . A A . 19 LYS CE 1 1 2 657 1 1 19 LYS CG C 14.670 -1.285 -1.414 1.00 . A A . 19 LYS CG 1 1 2 658 1 1 19 LYS H H 13.055 1.741 1.367 1.00 . A A . 19 LYS H 1 1 2 659 1 1 19 LYS HA H 14.348 -0.776 1.279 1.00 . A A . 19 LYS HA 1 1 2 660 1 1 19 LYS HB2 H 12.719 -0.994 -0.624 1.00 . A A . 19 LYS HB2 1 1 2 661 1 1 19 LYS HB3 H 13.429 0.440 -1.345 1.00 . A A . 19 LYS HB3 1 1 2 662 1 1 19 LYS HD2 H 14.937 -2.437 -3.185 1.00 . A A . 19 LYS HD2 1 1 2 663 1 1 19 LYS HD3 H 13.253 -2.109 -2.786 1.00 . A A . 19 LYS HD3 1 1 2 664 1 1 19 LYS HE2 H 13.874 -0.856 -4.751 1.00 . A A . 19 LYS HE2 1 1 2 665 1 1 19 LYS HE3 H 13.627 0.267 -3.422 1.00 . A A . 19 LYS HE3 1 1 2 666 1 1 19 LYS HG2 H 15.590 -0.724 -1.474 1.00 . A A . 19 LYS HG2 1 1 2 667 1 1 19 LYS HG3 H 14.829 -2.174 -0.821 1.00 . A A . 19 LYS HG3 1 1 2 668 1 1 19 LYS HZ1 H 15.619 0.777 -4.714 1.00 . A A . 19 LYS HZ1 1 1 2 669 1 1 19 LYS HZ2 H 16.289 -0.721 -4.327 1.00 . A A . 19 LYS HZ2 1 1 2 670 1 1 19 LYS HZ3 H 16.017 0.413 -3.128 1.00 . A A . 19 LYS HZ3 1 1 2 671 1 1 19 LYS N N 12.993 0.761 1.333 1.00 . A A . 19 LYS N 1 1 2 672 1 1 19 LYS NZ N 15.628 0.015 -4.006 1.00 . A A . 19 LYS NZ 1 1 2 673 1 1 19 LYS O O 16.226 0.828 1.252 1.00 . A A . 19 LYS O 1 1 2 674 1 1 19 LYS OXT O 15.084 2.024 -0.182 1.00 . A A . 19 LYS OXT 1 1 3 675 1 1 1 PRO C C -13.515 6.127 -1.140 1.00 . A A . 1 PRO C 1 1 3 676 1 1 1 PRO CA C -13.113 6.976 -2.321 1.00 . A A . 1 PRO CA 1 1 3 677 1 1 1 PRO CB C -13.173 8.458 -1.952 1.00 . A A . 1 PRO CB 1 1 3 678 1 1 1 PRO CD C -14.388 8.062 -3.995 1.00 . A A . 1 PRO CD 1 1 3 679 1 1 1 PRO CG C -14.275 8.999 -2.803 1.00 . A A . 1 PRO CG 1 1 3 680 1 1 1 PRO H2 H -15.000 7.083 -3.241 1.00 . A A . 1 PRO H2 1 1 3 681 1 1 1 PRO H3 H -14.177 5.702 -3.372 1.00 . A A . 1 PRO H3 1 1 3 682 1 1 1 PRO HA H -12.110 6.721 -2.630 1.00 . A A . 1 PRO HA 1 1 3 683 1 1 1 PRO HB2 H -13.389 8.561 -0.899 1.00 . A A . 1 PRO HB2 1 1 3 684 1 1 1 PRO HB3 H -12.232 8.935 -2.182 1.00 . A A . 1 PRO HB3 1 1 3 685 1 1 1 PRO HD2 H -15.378 8.108 -4.427 1.00 . A A . 1 PRO HD2 1 1 3 686 1 1 1 PRO HD3 H -13.665 8.392 -4.728 1.00 . A A . 1 PRO HD3 1 1 3 687 1 1 1 PRO HG2 H -15.195 9.013 -2.238 1.00 . A A . 1 PRO HG2 1 1 3 688 1 1 1 PRO HG3 H -14.029 9.998 -3.132 1.00 . A A . 1 PRO HG3 1 1 3 689 1 1 1 PRO N N -14.039 6.734 -3.412 1.00 . A A . 1 PRO N 1 1 3 690 1 1 1 PRO O O -14.655 5.692 -1.073 1.00 . A A . 1 PRO O 1 1 3 691 1 1 2 MET C C -12.969 3.611 0.539 1.00 . A A . 2 MET C 1 1 3 692 1 1 2 MET CA C -12.756 5.059 0.968 1.00 . A A . 2 MET CA 1 1 3 693 1 1 2 MET CB C -13.911 5.523 1.876 1.00 . A A . 2 MET CB 1 1 3 694 1 1 2 MET CE C -16.523 7.353 2.225 1.00 . A A . 2 MET CE 1 1 3 695 1 1 2 MET CG C -13.773 6.937 2.397 1.00 . A A . 2 MET CG 1 1 3 696 1 1 2 MET H H -11.716 6.386 -0.298 1.00 . A A . 2 MET H 1 1 3 697 1 1 2 MET HA H -11.829 5.101 1.522 1.00 . A A . 2 MET HA 1 1 3 698 1 1 2 MET HB2 H -14.835 5.448 1.324 1.00 . A A . 2 MET HB2 1 1 3 699 1 1 2 MET HB3 H -13.948 4.851 2.719 1.00 . A A . 2 MET HB3 1 1 3 700 1 1 2 MET HE1 H -16.638 6.330 1.903 1.00 . A A . 2 MET HE1 1 1 3 701 1 1 2 MET HE2 H -16.305 7.977 1.370 1.00 . A A . 2 MET HE2 1 1 3 702 1 1 2 MET HE3 H -17.438 7.690 2.689 1.00 . A A . 2 MET HE3 1 1 3 703 1 1 2 MET HG2 H -12.876 7.007 2.993 1.00 . A A . 2 MET HG2 1 1 3 704 1 1 2 MET HG3 H -13.690 7.601 1.549 1.00 . A A . 2 MET HG3 1 1 3 705 1 1 2 MET N N -12.578 5.922 -0.207 1.00 . A A . 2 MET N 1 1 3 706 1 1 2 MET O O -14.102 3.131 0.470 1.00 . A A . 2 MET O 1 1 3 707 1 1 2 MET SD S -15.175 7.474 3.411 1.00 . A A . 2 MET SD 1 1 3 708 1 1 3 ALA C C -10.844 0.754 0.385 1.00 . A A . 3 ALA C 1 1 3 709 1 1 3 ALA CA C -11.941 1.566 -0.266 1.00 . A A . 3 ALA CA 1 1 3 710 1 1 3 ALA CB C -11.763 1.540 -1.777 1.00 . A A . 3 ALA CB 1 1 3 711 1 1 3 ALA H H -11.007 3.350 0.332 1.00 . A A . 3 ALA H 1 1 3 712 1 1 3 ALA HA H -12.905 1.147 -0.023 1.00 . A A . 3 ALA HA 1 1 3 713 1 1 3 ALA HB1 H -11.699 0.517 -2.114 1.00 . A A . 3 ALA HB1 1 1 3 714 1 1 3 ALA HB2 H -10.866 2.072 -2.053 1.00 . A A . 3 ALA HB2 1 1 3 715 1 1 3 ALA HB3 H -12.616 2.009 -2.241 1.00 . A A . 3 ALA HB3 1 1 3 716 1 1 3 ALA N N -11.887 2.936 0.217 1.00 . A A . 3 ALA N 1 1 3 717 1 1 3 ALA O O -9.846 1.316 0.831 1.00 . A A . 3 ALA O 1 1 3 718 1 1 4 LYS C C -8.821 -1.646 0.093 1.00 . A A . 4 LYS C 1 1 3 719 1 1 4 LYS CA C -10.038 -1.485 1.005 1.00 . A A . 4 LYS CA 1 1 3 720 1 1 4 LYS CB C -10.685 -2.852 1.222 1.00 . A A . 4 LYS CB 1 1 3 721 1 1 4 LYS CD C -11.871 -4.811 0.150 1.00 . A A . 4 LYS CD 1 1 3 722 1 1 4 LYS CE C -10.792 -5.856 0.394 1.00 . A A . 4 LYS CE 1 1 3 723 1 1 4 LYS CG C -11.290 -3.432 -0.052 1.00 . A A . 4 LYS CG 1 1 3 724 1 1 4 LYS H H -11.859 -0.938 0.072 1.00 . A A . 4 LYS H 1 1 3 725 1 1 4 LYS HA H -9.724 -1.094 1.961 1.00 . A A . 4 LYS HA 1 1 3 726 1 1 4 LYS HB2 H -9.935 -3.535 1.593 1.00 . A A . 4 LYS HB2 1 1 3 727 1 1 4 LYS HB3 H -11.470 -2.752 1.957 1.00 . A A . 4 LYS HB3 1 1 3 728 1 1 4 LYS HD2 H -12.540 -4.787 0.999 1.00 . A A . 4 LYS HD2 1 1 3 729 1 1 4 LYS HD3 H -12.425 -5.061 -0.742 1.00 . A A . 4 LYS HD3 1 1 3 730 1 1 4 LYS HE2 H -10.122 -5.859 -0.451 1.00 . A A . 4 LYS HE2 1 1 3 731 1 1 4 LYS HE3 H -10.239 -5.596 1.283 1.00 . A A . 4 LYS HE3 1 1 3 732 1 1 4 LYS HG2 H -12.076 -2.776 -0.394 1.00 . A A . 4 LYS HG2 1 1 3 733 1 1 4 LYS HG3 H -10.518 -3.479 -0.805 1.00 . A A . 4 LYS HG3 1 1 3 734 1 1 4 LYS HZ1 H -12.039 -7.215 1.347 1.00 . A A . 4 LYS HZ1 1 1 3 735 1 1 4 LYS HZ2 H -10.620 -7.907 0.734 1.00 . A A . 4 LYS HZ2 1 1 3 736 1 1 4 LYS HZ3 H -11.869 -7.485 -0.310 1.00 . A A . 4 LYS HZ3 1 1 3 737 1 1 4 LYS N N -11.020 -0.560 0.422 1.00 . A A . 4 LYS N 1 1 3 738 1 1 4 LYS NZ N -11.365 -7.205 0.556 1.00 . A A . 4 LYS NZ 1 1 3 739 1 1 4 LYS O O -7.759 -2.085 0.513 1.00 . A A . 4 LYS O 1 1 3 740 1 1 5 LEU C C -6.949 -0.262 -2.024 1.00 . A A . 5 LEU C 1 1 3 741 1 1 5 LEU CA C -7.936 -1.416 -2.134 1.00 . A A . 5 LEU CA 1 1 3 742 1 1 5 LEU CB C -8.536 -1.488 -3.536 1.00 . A A . 5 LEU CB 1 1 3 743 1 1 5 LEU CD1 C -10.094 -2.569 -5.180 1.00 . A A . 5 LEU CD1 1 1 3 744 1 1 5 LEU CD2 C -8.953 -3.977 -3.465 1.00 . A A . 5 LEU CD2 1 1 3 745 1 1 5 LEU CG C -9.560 -2.611 -3.765 1.00 . A A . 5 LEU CG 1 1 3 746 1 1 5 LEU H H -9.865 -0.932 -1.419 1.00 . A A . 5 LEU H 1 1 3 747 1 1 5 LEU HA H -7.411 -2.337 -1.933 1.00 . A A . 5 LEU HA 1 1 3 748 1 1 5 LEU HB2 H -9.017 -0.543 -3.742 1.00 . A A . 5 LEU HB2 1 1 3 749 1 1 5 LEU HB3 H -7.729 -1.622 -4.240 1.00 . A A . 5 LEU HB3 1 1 3 750 1 1 5 LEU HD11 H -9.276 -2.695 -5.872 1.00 . A A . 5 LEU HD11 1 1 3 751 1 1 5 LEU HD12 H -10.573 -1.618 -5.356 1.00 . A A . 5 LEU HD12 1 1 3 752 1 1 5 LEU HD13 H -10.809 -3.366 -5.319 1.00 . A A . 5 LEU HD13 1 1 3 753 1 1 5 LEU HD21 H -8.661 -4.024 -2.426 1.00 . A A . 5 LEU HD21 1 1 3 754 1 1 5 LEU HD22 H -8.083 -4.129 -4.085 1.00 . A A . 5 LEU HD22 1 1 3 755 1 1 5 LEU HD23 H -9.681 -4.748 -3.670 1.00 . A A . 5 LEU HD23 1 1 3 756 1 1 5 LEU HG H -10.396 -2.458 -3.098 1.00 . A A . 5 LEU HG 1 1 3 757 1 1 5 LEU N N -8.990 -1.284 -1.153 1.00 . A A . 5 LEU N 1 1 3 758 1 1 5 LEU O O -5.803 -0.373 -2.435 1.00 . A A . 5 LEU O 1 1 3 759 1 1 6 LEU C C -5.381 1.788 -0.302 1.00 . A A . 6 LEU C 1 1 3 760 1 1 6 LEU CA C -6.567 2.011 -1.262 1.00 . A A . 6 LEU CA 1 1 3 761 1 1 6 LEU CB C -7.417 3.227 -0.892 1.00 . A A . 6 LEU CB 1 1 3 762 1 1 6 LEU CD1 C -9.332 4.745 -1.435 1.00 . A A . 6 LEU CD1 1 1 3 763 1 1 6 LEU CD2 C -7.743 4.100 -3.213 1.00 . A A . 6 LEU CD2 1 1 3 764 1 1 6 LEU CG C -8.440 3.646 -1.950 1.00 . A A . 6 LEU CG 1 1 3 765 1 1 6 LEU H H -8.293 0.816 -1.035 1.00 . A A . 6 LEU H 1 1 3 766 1 1 6 LEU HA H -6.131 2.183 -2.236 1.00 . A A . 6 LEU HA 1 1 3 767 1 1 6 LEU HB2 H -7.942 3.007 0.025 1.00 . A A . 6 LEU HB2 1 1 3 768 1 1 6 LEU HB3 H -6.752 4.059 -0.718 1.00 . A A . 6 LEU HB3 1 1 3 769 1 1 6 LEU HD11 H -9.856 4.410 -0.554 1.00 . A A . 6 LEU HD11 1 1 3 770 1 1 6 LEU HD12 H -10.047 5.012 -2.199 1.00 . A A . 6 LEU HD12 1 1 3 771 1 1 6 LEU HD13 H -8.730 5.607 -1.191 1.00 . A A . 6 LEU HD13 1 1 3 772 1 1 6 LEU HD21 H -7.062 4.907 -2.984 1.00 . A A . 6 LEU HD21 1 1 3 773 1 1 6 LEU HD22 H -8.488 4.452 -3.910 1.00 . A A . 6 LEU HD22 1 1 3 774 1 1 6 LEU HD23 H -7.202 3.277 -3.652 1.00 . A A . 6 LEU HD23 1 1 3 775 1 1 6 LEU HG H -9.051 2.793 -2.198 1.00 . A A . 6 LEU HG 1 1 3 776 1 1 6 LEU N N -7.391 0.820 -1.416 1.00 . A A . 6 LEU N 1 1 3 777 1 1 6 LEU O O -4.252 2.107 -0.661 1.00 . A A . 6 LEU O 1 1 3 778 1 1 7 PRO C C -3.555 -0.175 1.136 1.00 . A A . 7 PRO C 1 1 3 779 1 1 7 PRO CA C -4.481 0.852 1.810 1.00 . A A . 7 PRO CA 1 1 3 780 1 1 7 PRO CB C -5.158 0.240 3.047 1.00 . A A . 7 PRO CB 1 1 3 781 1 1 7 PRO CD C -6.883 1.035 1.615 1.00 . A A . 7 PRO CD 1 1 3 782 1 1 7 PRO CG C -6.573 0.021 2.664 1.00 . A A . 7 PRO CG 1 1 3 783 1 1 7 PRO HA H -3.900 1.718 2.092 1.00 . A A . 7 PRO HA 1 1 3 784 1 1 7 PRO HB2 H -4.676 -0.696 3.287 1.00 . A A . 7 PRO HB2 1 1 3 785 1 1 7 PRO HB3 H -5.075 0.920 3.880 1.00 . A A . 7 PRO HB3 1 1 3 786 1 1 7 PRO HD2 H -7.626 0.660 0.927 1.00 . A A . 7 PRO HD2 1 1 3 787 1 1 7 PRO HD3 H -7.214 1.958 2.067 1.00 . A A . 7 PRO HD3 1 1 3 788 1 1 7 PRO HG2 H -6.696 -0.976 2.267 1.00 . A A . 7 PRO HG2 1 1 3 789 1 1 7 PRO HG3 H -7.213 0.162 3.523 1.00 . A A . 7 PRO HG3 1 1 3 790 1 1 7 PRO N N -5.594 1.233 0.934 1.00 . A A . 7 PRO N 1 1 3 791 1 1 7 PRO O O -2.375 -0.242 1.435 1.00 . A A . 7 PRO O 1 1 3 792 1 1 8 ARG C C -2.333 -1.165 -1.486 1.00 . A A . 8 ARG C 1 1 3 793 1 1 8 ARG CA C -3.284 -1.909 -0.547 1.00 . A A . 8 ARG CA 1 1 3 794 1 1 8 ARG CB C -4.129 -2.918 -1.335 1.00 . A A . 8 ARG CB 1 1 3 795 1 1 8 ARG CD C -5.698 -4.881 -1.278 1.00 . A A . 8 ARG CD 1 1 3 796 1 1 8 ARG CG C -5.114 -3.713 -0.492 1.00 . A A . 8 ARG CG 1 1 3 797 1 1 8 ARG CZ C -4.821 -6.947 -2.403 1.00 . A A . 8 ARG CZ 1 1 3 798 1 1 8 ARG H H -5.055 -0.854 -0.001 1.00 . A A . 8 ARG H 1 1 3 799 1 1 8 ARG HA H -2.685 -2.434 0.184 1.00 . A A . 8 ARG HA 1 1 3 800 1 1 8 ARG HB2 H -4.691 -2.382 -2.085 1.00 . A A . 8 ARG HB2 1 1 3 801 1 1 8 ARG HB3 H -3.470 -3.614 -1.832 1.00 . A A . 8 ARG HB3 1 1 3 802 1 1 8 ARG HD2 H -6.508 -5.321 -0.716 1.00 . A A . 8 ARG HD2 1 1 3 803 1 1 8 ARG HD3 H -6.078 -4.510 -2.218 1.00 . A A . 8 ARG HD3 1 1 3 804 1 1 8 ARG HE H -3.842 -5.798 -1.048 1.00 . A A . 8 ARG HE 1 1 3 805 1 1 8 ARG HG2 H -4.606 -4.095 0.382 1.00 . A A . 8 ARG HG2 1 1 3 806 1 1 8 ARG HG3 H -5.915 -3.059 -0.182 1.00 . A A . 8 ARG HG3 1 1 3 807 1 1 8 ARG HH11 H -6.762 -6.530 -2.971 1.00 . A A . 8 ARG HH11 1 1 3 808 1 1 8 ARG HH12 H -6.079 -7.880 -3.722 1.00 . A A . 8 ARG HH12 1 1 3 809 1 1 8 ARG HH21 H -2.952 -7.741 -2.074 1.00 . A A . 8 ARG HH21 1 1 3 810 1 1 8 ARG HH22 H -3.906 -8.590 -3.198 1.00 . A A . 8 ARG HH22 1 1 3 811 1 1 8 ARG N N -4.097 -0.949 0.189 1.00 . A A . 8 ARG N 1 1 3 812 1 1 8 ARG NE N -4.680 -5.912 -1.554 1.00 . A A . 8 ARG NE 1 1 3 813 1 1 8 ARG NH1 N -5.962 -7.129 -3.067 1.00 . A A . 8 ARG NH1 1 1 3 814 1 1 8 ARG NH2 N -3.826 -7.816 -2.564 1.00 . A A . 8 ARG NH2 1 1 3 815 1 1 8 ARG O O -1.188 -1.583 -1.685 1.00 . A A . 8 ARG O 1 1 3 816 1 1 9 ILE C C -0.909 1.447 -2.019 1.00 . A A . 9 ILE C 1 1 3 817 1 1 9 ILE CA C -1.984 0.803 -2.885 1.00 . A A . 9 ILE CA 1 1 3 818 1 1 9 ILE CB C -2.817 1.919 -3.595 1.00 . A A . 9 ILE CB 1 1 3 819 1 1 9 ILE CD1 C -4.761 2.323 -5.213 1.00 . A A . 9 ILE CD1 1 1 3 820 1 1 9 ILE CG1 C -3.885 1.300 -4.509 1.00 . A A . 9 ILE CG1 1 1 3 821 1 1 9 ILE CG2 C -1.905 2.859 -4.395 1.00 . A A . 9 ILE CG2 1 1 3 822 1 1 9 ILE H H -3.750 0.184 -1.887 1.00 . A A . 9 ILE H 1 1 3 823 1 1 9 ILE HA H -1.508 0.182 -3.628 1.00 . A A . 9 ILE HA 1 1 3 824 1 1 9 ILE HB H -3.306 2.503 -2.830 1.00 . A A . 9 ILE HB 1 1 3 825 1 1 9 ILE HD11 H -4.141 2.956 -5.831 1.00 . A A . 9 ILE HD11 1 1 3 826 1 1 9 ILE HD12 H -5.268 2.929 -4.478 1.00 . A A . 9 ILE HD12 1 1 3 827 1 1 9 ILE HD13 H -5.487 1.817 -5.831 1.00 . A A . 9 ILE HD13 1 1 3 828 1 1 9 ILE HG12 H -3.398 0.708 -5.269 1.00 . A A . 9 ILE HG12 1 1 3 829 1 1 9 ILE HG13 H -4.526 0.661 -3.921 1.00 . A A . 9 ILE HG13 1 1 3 830 1 1 9 ILE HG21 H -1.192 3.322 -3.730 1.00 . A A . 9 ILE HG21 1 1 3 831 1 1 9 ILE HG22 H -2.503 3.624 -4.869 1.00 . A A . 9 ILE HG22 1 1 3 832 1 1 9 ILE HG23 H -1.382 2.292 -5.150 1.00 . A A . 9 ILE HG23 1 1 3 833 1 1 9 ILE N N -2.811 -0.056 -2.045 1.00 . A A . 9 ILE N 1 1 3 834 1 1 9 ILE O O 0.265 1.479 -2.382 1.00 . A A . 9 ILE O 1 1 3 835 1 1 10 LYS C C 0.659 1.549 0.567 1.00 . A A . 10 LYS C 1 1 3 836 1 1 10 LYS CA C -0.412 2.532 0.107 1.00 . A A . 10 LYS CA 1 1 3 837 1 1 10 LYS CB C -1.176 3.098 1.301 1.00 . A A . 10 LYS CB 1 1 3 838 1 1 10 LYS CD C -2.803 4.779 2.182 1.00 . A A . 10 LYS CD 1 1 3 839 1 1 10 LYS CE C -3.707 5.951 1.850 1.00 . A A . 10 LYS CE 1 1 3 840 1 1 10 LYS CG C -2.132 4.223 0.944 1.00 . A A . 10 LYS CG 1 1 3 841 1 1 10 LYS H H -2.276 1.834 -0.632 1.00 . A A . 10 LYS H 1 1 3 842 1 1 10 LYS HA H 0.081 3.343 -0.407 1.00 . A A . 10 LYS HA 1 1 3 843 1 1 10 LYS HB2 H -1.746 2.302 1.755 1.00 . A A . 10 LYS HB2 1 1 3 844 1 1 10 LYS HB3 H -0.468 3.474 2.024 1.00 . A A . 10 LYS HB3 1 1 3 845 1 1 10 LYS HD2 H -3.396 4.001 2.641 1.00 . A A . 10 LYS HD2 1 1 3 846 1 1 10 LYS HD3 H -2.043 5.106 2.875 1.00 . A A . 10 LYS HD3 1 1 3 847 1 1 10 LYS HE2 H -3.133 6.702 1.332 1.00 . A A . 10 LYS HE2 1 1 3 848 1 1 10 LYS HE3 H -4.500 5.599 1.207 1.00 . A A . 10 LYS HE3 1 1 3 849 1 1 10 LYS HG2 H -1.580 5.015 0.460 1.00 . A A . 10 LYS HG2 1 1 3 850 1 1 10 LYS HG3 H -2.887 3.844 0.271 1.00 . A A . 10 LYS HG3 1 1 3 851 1 1 10 LYS HZ1 H -4.884 7.372 2.833 1.00 . A A . 10 LYS HZ1 1 1 3 852 1 1 10 LYS HZ2 H -3.548 6.853 3.719 1.00 . A A . 10 LYS HZ2 1 1 3 853 1 1 10 LYS HZ3 H -4.893 5.848 3.557 1.00 . A A . 10 LYS HZ3 1 1 3 854 1 1 10 LYS N N -1.321 1.909 -0.849 1.00 . A A . 10 LYS N 1 1 3 855 1 1 10 LYS NZ N -4.297 6.547 3.067 1.00 . A A . 10 LYS NZ 1 1 3 856 1 1 10 LYS O O 1.815 1.926 0.758 1.00 . A A . 10 LYS O 1 1 3 857 1 1 11 LYS C C 2.262 -0.950 -0.016 1.00 . A A . 11 LYS C 1 1 3 858 1 1 11 LYS CA C 1.205 -0.763 1.075 1.00 . A A . 11 LYS CA 1 1 3 859 1 1 11 LYS CB C 0.462 -2.081 1.370 1.00 . A A . 11 LYS CB 1 1 3 860 1 1 11 LYS CD C 2.313 -3.005 2.885 1.00 . A A . 11 LYS CD 1 1 3 861 1 1 11 LYS CE C 1.576 -2.717 4.185 1.00 . A A . 11 LYS CE 1 1 3 862 1 1 11 LYS CG C 1.366 -3.281 1.707 1.00 . A A . 11 LYS CG 1 1 3 863 1 1 11 LYS H H -0.679 0.074 0.621 1.00 . A A . 11 LYS H 1 1 3 864 1 1 11 LYS HA H 1.710 -0.440 1.973 1.00 . A A . 11 LYS HA 1 1 3 865 1 1 11 LYS HB2 H -0.209 -1.920 2.202 1.00 . A A . 11 LYS HB2 1 1 3 866 1 1 11 LYS HB3 H -0.130 -2.338 0.504 1.00 . A A . 11 LYS HB3 1 1 3 867 1 1 11 LYS HD2 H 2.937 -3.872 3.039 1.00 . A A . 11 LYS HD2 1 1 3 868 1 1 11 LYS HD3 H 2.937 -2.159 2.637 1.00 . A A . 11 LYS HD3 1 1 3 869 1 1 11 LYS HE2 H 2.304 -2.478 4.946 1.00 . A A . 11 LYS HE2 1 1 3 870 1 1 11 LYS HE3 H 0.926 -1.868 4.038 1.00 . A A . 11 LYS HE3 1 1 3 871 1 1 11 LYS HG2 H 0.742 -4.124 1.964 1.00 . A A . 11 LYS HG2 1 1 3 872 1 1 11 LYS HG3 H 1.953 -3.524 0.834 1.00 . A A . 11 LYS HG3 1 1 3 873 1 1 11 LYS HZ1 H 0.018 -4.098 3.975 1.00 . A A . 11 LYS HZ1 1 1 3 874 1 1 11 LYS HZ2 H 0.334 -3.652 5.563 1.00 . A A . 11 LYS HZ2 1 1 3 875 1 1 11 LYS HZ3 H 1.360 -4.715 4.780 1.00 . A A . 11 LYS HZ3 1 1 3 876 1 1 11 LYS N N 0.276 0.291 0.715 1.00 . A A . 11 LYS N 1 1 3 877 1 1 11 LYS NZ N 0.776 -3.865 4.647 1.00 . A A . 11 LYS NZ 1 1 3 878 1 1 11 LYS O O 3.437 -1.157 0.286 1.00 . A A . 11 LYS O 1 1 3 879 1 1 12 LYS C C 3.770 0.205 -2.328 1.00 . A A . 12 LYS C 1 1 3 880 1 1 12 LYS CA C 2.780 -0.943 -2.389 1.00 . A A . 12 LYS CA 1 1 3 881 1 1 12 LYS CB C 2.023 -0.913 -3.698 1.00 . A A . 12 LYS CB 1 1 3 882 1 1 12 LYS CD C 0.134 -1.852 -5.043 1.00 . A A . 12 LYS CD 1 1 3 883 1 1 12 LYS CE C 0.836 -1.562 -6.352 1.00 . A A . 12 LYS CE 1 1 3 884 1 1 12 LYS CG C 1.107 -2.106 -3.908 1.00 . A A . 12 LYS CG 1 1 3 885 1 1 12 LYS H H 0.906 -0.697 -1.503 1.00 . A A . 12 LYS H 1 1 3 886 1 1 12 LYS HA H 3.314 -1.876 -2.305 1.00 . A A . 12 LYS HA 1 1 3 887 1 1 12 LYS HB2 H 1.425 -0.014 -3.731 1.00 . A A . 12 LYS HB2 1 1 3 888 1 1 12 LYS HB3 H 2.742 -0.888 -4.503 1.00 . A A . 12 LYS HB3 1 1 3 889 1 1 12 LYS HD2 H -0.485 -2.727 -5.174 1.00 . A A . 12 LYS HD2 1 1 3 890 1 1 12 LYS HD3 H -0.490 -1.011 -4.788 1.00 . A A . 12 LYS HD3 1 1 3 891 1 1 12 LYS HE2 H 0.072 -1.208 -7.022 1.00 . A A . 12 LYS HE2 1 1 3 892 1 1 12 LYS HE3 H 1.553 -0.768 -6.198 1.00 . A A . 12 LYS HE3 1 1 3 893 1 1 12 LYS HG2 H 1.704 -2.974 -4.143 1.00 . A A . 12 LYS HG2 1 1 3 894 1 1 12 LYS HG3 H 0.551 -2.280 -2.999 1.00 . A A . 12 LYS HG3 1 1 3 895 1 1 12 LYS HZ1 H 2.216 -3.139 -6.241 1.00 . A A . 12 LYS HZ1 1 1 3 896 1 1 12 LYS HZ2 H 2.011 -2.517 -7.787 1.00 . A A . 12 LYS HZ2 1 1 3 897 1 1 12 LYS HZ3 H 0.821 -3.500 -7.118 1.00 . A A . 12 LYS HZ3 1 1 3 898 1 1 12 LYS N N 1.851 -0.846 -1.279 1.00 . A A . 12 LYS N 1 1 3 899 1 1 12 LYS NZ N 1.514 -2.755 -6.906 1.00 . A A . 12 LYS NZ 1 1 3 900 1 1 12 LYS O O 4.958 0.014 -2.541 1.00 . A A . 12 LYS O 1 1 3 901 1 1 13 ILE C C 5.086 2.368 -0.695 1.00 . A A . 13 ILE C 1 1 3 902 1 1 13 ILE CA C 4.092 2.573 -1.841 1.00 . A A . 13 ILE CA 1 1 3 903 1 1 13 ILE CB C 3.222 3.837 -1.566 1.00 . A A . 13 ILE CB 1 1 3 904 1 1 13 ILE CD1 C 1.253 5.195 -2.490 1.00 . A A . 13 ILE CD1 1 1 3 905 1 1 13 ILE CG1 C 2.218 4.048 -2.711 1.00 . A A . 13 ILE CG1 1 1 3 906 1 1 13 ILE CG2 C 4.101 5.078 -1.385 1.00 . A A . 13 ILE CG2 1 1 3 907 1 1 13 ILE H H 2.295 1.456 -1.856 1.00 . A A . 13 ILE H 1 1 3 908 1 1 13 ILE HA H 4.642 2.714 -2.758 1.00 . A A . 13 ILE HA 1 1 3 909 1 1 13 ILE HB H 2.675 3.674 -0.649 1.00 . A A . 13 ILE HB 1 1 3 910 1 1 13 ILE HD11 H 1.811 6.115 -2.394 1.00 . A A . 13 ILE HD11 1 1 3 911 1 1 13 ILE HD12 H 0.687 5.026 -1.587 1.00 . A A . 13 ILE HD12 1 1 3 912 1 1 13 ILE HD13 H 0.580 5.268 -3.330 1.00 . A A . 13 ILE HD13 1 1 3 913 1 1 13 ILE HG12 H 2.761 4.251 -3.621 1.00 . A A . 13 ILE HG12 1 1 3 914 1 1 13 ILE HG13 H 1.637 3.146 -2.839 1.00 . A A . 13 ILE HG13 1 1 3 915 1 1 13 ILE HG21 H 3.477 5.941 -1.202 1.00 . A A . 13 ILE HG21 1 1 3 916 1 1 13 ILE HG22 H 4.683 5.239 -2.281 1.00 . A A . 13 ILE HG22 1 1 3 917 1 1 13 ILE HG23 H 4.768 4.928 -0.548 1.00 . A A . 13 ILE HG23 1 1 3 918 1 1 13 ILE N N 3.265 1.384 -1.992 1.00 . A A . 13 ILE N 1 1 3 919 1 1 13 ILE O O 6.269 2.659 -0.829 1.00 . A A . 13 ILE O 1 1 3 920 1 1 14 LEU C C 6.510 0.527 1.270 1.00 . A A . 14 LEU C 1 1 3 921 1 1 14 LEU CA C 5.411 1.555 1.583 1.00 . A A . 14 LEU CA 1 1 3 922 1 1 14 LEU CB C 4.522 1.060 2.735 1.00 . A A . 14 LEU CB 1 1 3 923 1 1 14 LEU CD1 C 5.848 2.041 4.636 1.00 . A A . 14 LEU CD1 1 1 3 924 1 1 14 LEU CD2 C 4.254 0.162 5.062 1.00 . A A . 14 LEU CD2 1 1 3 925 1 1 14 LEU CG C 5.223 0.777 4.067 1.00 . A A . 14 LEU CG 1 1 3 926 1 1 14 LEU H H 3.638 1.601 0.428 1.00 . A A . 14 LEU H 1 1 3 927 1 1 14 LEU HA H 5.877 2.484 1.876 1.00 . A A . 14 LEU HA 1 1 3 928 1 1 14 LEU HB2 H 3.758 1.804 2.910 1.00 . A A . 14 LEU HB2 1 1 3 929 1 1 14 LEU HB3 H 4.038 0.151 2.412 1.00 . A A . 14 LEU HB3 1 1 3 930 1 1 14 LEU HD11 H 6.584 2.425 3.945 1.00 . A A . 14 LEU HD11 1 1 3 931 1 1 14 LEU HD12 H 6.327 1.811 5.576 1.00 . A A . 14 LEU HD12 1 1 3 932 1 1 14 LEU HD13 H 5.079 2.783 4.796 1.00 . A A . 14 LEU HD13 1 1 3 933 1 1 14 LEU HD21 H 3.435 0.843 5.234 1.00 . A A . 14 LEU HD21 1 1 3 934 1 1 14 LEU HD22 H 4.765 -0.026 5.994 1.00 . A A . 14 LEU HD22 1 1 3 935 1 1 14 LEU HD23 H 3.873 -0.768 4.666 1.00 . A A . 14 LEU HD23 1 1 3 936 1 1 14 LEU HG H 6.020 0.071 3.890 1.00 . A A . 14 LEU HG 1 1 3 937 1 1 14 LEU N N 4.597 1.821 0.404 1.00 . A A . 14 LEU N 1 1 3 938 1 1 14 LEU O O 7.667 0.693 1.667 1.00 . A A . 14 LEU O 1 1 3 939 1 1 15 ALA C C 8.068 -1.077 -0.922 1.00 . A A . 15 ALA C 1 1 3 940 1 1 15 ALA CA C 7.091 -1.556 0.159 1.00 . A A . 15 ALA CA 1 1 3 941 1 1 15 ALA CB C 6.345 -2.798 -0.296 1.00 . A A . 15 ALA CB 1 1 3 942 1 1 15 ALA H H 5.215 -0.575 0.236 1.00 . A A . 15 ALA H 1 1 3 943 1 1 15 ALA HA H 7.662 -1.805 1.041 1.00 . A A . 15 ALA HA 1 1 3 944 1 1 15 ALA HB1 H 5.669 -3.117 0.483 1.00 . A A . 15 ALA HB1 1 1 3 945 1 1 15 ALA HB2 H 7.052 -3.588 -0.502 1.00 . A A . 15 ALA HB2 1 1 3 946 1 1 15 ALA HB3 H 5.783 -2.571 -1.189 1.00 . A A . 15 ALA HB3 1 1 3 947 1 1 15 ALA N N 6.151 -0.506 0.532 1.00 . A A . 15 ALA N 1 1 3 948 1 1 15 ALA O O 9.151 -1.635 -1.092 1.00 . A A . 15 ALA O 1 1 3 949 1 1 16 ALA C C 9.458 1.572 -2.034 1.00 . A A . 16 ALA C 1 1 3 950 1 1 16 ALA CA C 8.546 0.527 -2.665 1.00 . A A . 16 ALA CA 1 1 3 951 1 1 16 ALA CB C 7.730 1.140 -3.791 1.00 . A A . 16 ALA CB 1 1 3 952 1 1 16 ALA H H 6.764 0.288 -1.550 1.00 . A A . 16 ALA H 1 1 3 953 1 1 16 ALA HA H 9.159 -0.263 -3.072 1.00 . A A . 16 ALA HA 1 1 3 954 1 1 16 ALA HB1 H 8.397 1.519 -4.551 1.00 . A A . 16 ALA HB1 1 1 3 955 1 1 16 ALA HB2 H 7.129 1.948 -3.400 1.00 . A A . 16 ALA HB2 1 1 3 956 1 1 16 ALA HB3 H 7.084 0.387 -4.219 1.00 . A A . 16 ALA HB3 1 1 3 957 1 1 16 ALA N N 7.678 -0.057 -1.660 1.00 . A A . 16 ALA N 1 1 3 958 1 1 16 ALA O O 10.546 1.861 -2.539 1.00 . A A . 16 ALA O 1 1 3 959 1 1 17 ALA C C 10.840 2.437 0.627 1.00 . A A . 17 ALA C 1 1 3 960 1 1 17 ALA CA C 9.783 3.125 -0.219 1.00 . A A . 17 ALA CA 1 1 3 961 1 1 17 ALA CB C 8.876 3.987 0.645 1.00 . A A . 17 ALA CB 1 1 3 962 1 1 17 ALA H H 8.107 1.910 -0.631 1.00 . A A . 17 ALA H 1 1 3 963 1 1 17 ALA HA H 10.274 3.758 -0.944 1.00 . A A . 17 ALA HA 1 1 3 964 1 1 17 ALA HB1 H 8.391 3.368 1.386 1.00 . A A . 17 ALA HB1 1 1 3 965 1 1 17 ALA HB2 H 8.127 4.458 0.026 1.00 . A A . 17 ALA HB2 1 1 3 966 1 1 17 ALA HB3 H 9.464 4.746 1.139 1.00 . A A . 17 ALA HB3 1 1 3 967 1 1 17 ALA N N 9.010 2.143 -0.940 1.00 . A A . 17 ALA N 1 1 3 968 1 1 17 ALA O O 12.017 2.821 0.600 1.00 . A A . 17 ALA O 1 1 3 969 1 1 18 PHE C C 12.025 -0.405 1.332 1.00 . A A . 18 PHE C 1 1 3 970 1 1 18 PHE CA C 11.327 0.645 2.180 1.00 . A A . 18 PHE CA 1 1 3 971 1 1 18 PHE CB C 10.539 -0.021 3.326 1.00 . A A . 18 PHE CB 1 1 3 972 1 1 18 PHE CD1 C 11.603 -2.173 4.108 1.00 . A A . 18 PHE CD1 1 1 3 973 1 1 18 PHE CD2 C 11.946 -0.198 5.394 1.00 . A A . 18 PHE CD2 1 1 3 974 1 1 18 PHE CE1 C 12.371 -2.894 4.997 1.00 . A A . 18 PHE CE1 1 1 3 975 1 1 18 PHE CE2 C 12.714 -0.914 6.285 1.00 . A A . 18 PHE CE2 1 1 3 976 1 1 18 PHE CG C 11.382 -0.813 4.296 1.00 . A A . 18 PHE CG 1 1 3 977 1 1 18 PHE CZ C 12.928 -2.263 6.090 1.00 . A A . 18 PHE CZ 1 1 3 978 1 1 18 PHE H H 9.485 1.145 1.306 1.00 . A A . 18 PHE H 1 1 3 979 1 1 18 PHE HA H 12.063 1.318 2.596 1.00 . A A . 18 PHE HA 1 1 3 980 1 1 18 PHE HB2 H 10.027 0.745 3.889 1.00 . A A . 18 PHE HB2 1 1 3 981 1 1 18 PHE HB3 H 9.805 -0.687 2.898 1.00 . A A . 18 PHE HB3 1 1 3 982 1 1 18 PHE HD1 H 11.167 -2.665 3.250 1.00 . A A . 18 PHE HD1 1 1 3 983 1 1 18 PHE HD2 H 11.781 0.857 5.554 1.00 . A A . 18 PHE HD2 1 1 3 984 1 1 18 PHE HE1 H 12.535 -3.951 4.839 1.00 . A A . 18 PHE HE1 1 1 3 985 1 1 18 PHE HE2 H 13.145 -0.414 7.140 1.00 . A A . 18 PHE HE2 1 1 3 986 1 1 18 PHE HZ H 13.530 -2.820 6.793 1.00 . A A . 18 PHE HZ 1 1 3 987 1 1 18 PHE N N 10.432 1.410 1.340 1.00 . A A . 18 PHE N 1 1 3 988 1 1 18 PHE O O 11.417 -1.392 0.939 1.00 . A A . 18 PHE O 1 1 3 989 1 1 19 LYS C C 15.515 -1.041 0.591 1.00 . A A . 19 LYS C 1 1 3 990 1 1 19 LYS CA C 14.037 -1.078 0.197 1.00 . A A . 19 LYS CA 1 1 3 991 1 1 19 LYS CB C 13.811 -0.723 -1.292 1.00 . A A . 19 LYS CB 1 1 3 992 1 1 19 LYS CD C 13.669 1.096 -3.038 1.00 . A A . 19 LYS CD 1 1 3 993 1 1 19 LYS CE C 13.759 2.597 -3.269 1.00 . A A . 19 LYS CE 1 1 3 994 1 1 19 LYS CG C 13.968 0.761 -1.594 1.00 . A A . 19 LYS CG 1 1 3 995 1 1 19 LYS H H 13.720 0.627 1.374 1.00 . A A . 19 LYS H 1 1 3 996 1 1 19 LYS HA H 13.660 -2.074 0.379 1.00 . A A . 19 LYS HA 1 1 3 997 1 1 19 LYS HB2 H 14.519 -1.272 -1.894 1.00 . A A . 19 LYS HB2 1 1 3 998 1 1 19 LYS HB3 H 12.811 -1.021 -1.570 1.00 . A A . 19 LYS HB3 1 1 3 999 1 1 19 LYS HD2 H 14.381 0.594 -3.676 1.00 . A A . 19 LYS HD2 1 1 3 1000 1 1 19 LYS HD3 H 12.669 0.764 -3.276 1.00 . A A . 19 LYS HD3 1 1 3 1001 1 1 19 LYS HE2 H 14.776 2.918 -3.098 1.00 . A A . 19 LYS HE2 1 1 3 1002 1 1 19 LYS HE3 H 13.482 2.810 -4.290 1.00 . A A . 19 LYS HE3 1 1 3 1003 1 1 19 LYS HG2 H 13.286 1.315 -0.967 1.00 . A A . 19 LYS HG2 1 1 3 1004 1 1 19 LYS HG3 H 14.982 1.054 -1.364 1.00 . A A . 19 LYS HG3 1 1 3 1005 1 1 19 LYS HZ1 H 12.823 4.358 -2.584 1.00 . A A . 19 LYS HZ1 1 1 3 1006 1 1 19 LYS HZ2 H 13.176 3.267 -1.370 1.00 . A A . 19 LYS HZ2 1 1 3 1007 1 1 19 LYS HZ3 H 11.886 2.965 -2.427 1.00 . A A . 19 LYS HZ3 1 1 3 1008 1 1 19 LYS N N 13.276 -0.176 1.031 1.00 . A A . 19 LYS N 1 1 3 1009 1 1 19 LYS NZ N 12.855 3.344 -2.357 1.00 . A A . 19 LYS NZ 1 1 3 1010 1 1 19 LYS O O 16.339 -0.426 -0.121 1.00 . A A . 19 LYS O 1 1 3 1011 1 1 19 LYS OXT O 15.849 -1.564 1.675 1.00 . A A . 19 LYS OXT 1 1 4 1012 1 1 1 PRO C C -12.977 2.901 3.241 1.00 . A A . 1 PRO C 1 1 4 1013 1 1 1 PRO CA C -11.964 3.294 4.289 1.00 . A A . 1 PRO CA 1 1 4 1014 1 1 1 PRO CB C -10.595 3.462 3.638 1.00 . A A . 1 PRO CB 1 1 4 1015 1 1 1 PRO CD C -10.444 1.733 5.300 1.00 . A A . 1 PRO CD 1 1 4 1016 1 1 1 PRO CG C -9.890 2.184 3.965 1.00 . A A . 1 PRO CG 1 1 4 1017 1 1 1 PRO H2 H -11.575 1.332 4.844 1.00 . A A . 1 PRO H2 1 1 4 1018 1 1 1 PRO H3 H -12.864 2.034 5.550 1.00 . A A . 1 PRO H3 1 1 4 1019 1 1 1 PRO HA H -12.254 4.216 4.769 1.00 . A A . 1 PRO HA 1 1 4 1020 1 1 1 PRO HB2 H -10.715 3.592 2.572 1.00 . A A . 1 PRO HB2 1 1 4 1021 1 1 1 PRO HB3 H -10.082 4.312 4.062 1.00 . A A . 1 PRO HB3 1 1 4 1022 1 1 1 PRO HD2 H -10.321 0.662 5.406 1.00 . A A . 1 PRO HD2 1 1 4 1023 1 1 1 PRO HD3 H -9.858 2.207 6.075 1.00 . A A . 1 PRO HD3 1 1 4 1024 1 1 1 PRO HG2 H -10.098 1.446 3.203 1.00 . A A . 1 PRO HG2 1 1 4 1025 1 1 1 PRO HG3 H -8.826 2.356 4.040 1.00 . A A . 1 PRO HG3 1 1 4 1026 1 1 1 PRO N N -11.879 2.226 5.269 1.00 . A A . 1 PRO N 1 1 4 1027 1 1 1 PRO O O -13.412 1.747 3.223 1.00 . A A . 1 PRO O 1 1 4 1028 1 1 2 MET C C -13.593 2.713 0.256 1.00 . A A . 2 MET C 1 1 4 1029 1 1 2 MET CA C -14.285 3.550 1.302 1.00 . A A . 2 MET CA 1 1 4 1030 1 1 2 MET CB C -14.833 4.836 0.679 1.00 . A A . 2 MET CB 1 1 4 1031 1 1 2 MET CE C -18.184 5.869 2.942 1.00 . A A . 2 MET CE 1 1 4 1032 1 1 2 MET CG C -15.787 5.603 1.574 1.00 . A A . 2 MET CG 1 1 4 1033 1 1 2 MET H H -13.021 4.759 2.474 1.00 . A A . 2 MET H 1 1 4 1034 1 1 2 MET HA H -15.101 2.981 1.721 1.00 . A A . 2 MET HA 1 1 4 1035 1 1 2 MET HB2 H -14.003 5.483 0.438 1.00 . A A . 2 MET HB2 1 1 4 1036 1 1 2 MET HB3 H -15.353 4.581 -0.232 1.00 . A A . 2 MET HB3 1 1 4 1037 1 1 2 MET HE1 H -17.595 6.021 3.834 1.00 . A A . 2 MET HE1 1 1 4 1038 1 1 2 MET HE2 H -19.150 5.466 3.213 1.00 . A A . 2 MET HE2 1 1 4 1039 1 1 2 MET HE3 H -18.317 6.812 2.432 1.00 . A A . 2 MET HE3 1 1 4 1040 1 1 2 MET HG2 H -15.304 5.762 2.527 1.00 . A A . 2 MET HG2 1 1 4 1041 1 1 2 MET HG3 H -16.001 6.558 1.121 1.00 . A A . 2 MET HG3 1 1 4 1042 1 1 2 MET N N -13.359 3.840 2.386 1.00 . A A . 2 MET N 1 1 4 1043 1 1 2 MET O O -14.070 1.642 -0.123 1.00 . A A . 2 MET O 1 1 4 1044 1 1 2 MET SD S -17.338 4.717 1.862 1.00 . A A . 2 MET SD 1 1 4 1045 1 1 3 ALA C C -10.752 1.530 -0.404 1.00 . A A . 3 ALA C 1 1 4 1046 1 1 3 ALA CA C -11.673 2.472 -1.139 1.00 . A A . 3 ALA CA 1 1 4 1047 1 1 3 ALA CB C -10.877 3.429 -2.016 1.00 . A A . 3 ALA CB 1 1 4 1048 1 1 3 ALA H H -12.122 4.041 0.166 1.00 . A A . 3 ALA H 1 1 4 1049 1 1 3 ALA HA H -12.344 1.900 -1.763 1.00 . A A . 3 ALA HA 1 1 4 1050 1 1 3 ALA HB1 H -10.310 2.865 -2.742 1.00 . A A . 3 ALA HB1 1 1 4 1051 1 1 3 ALA HB2 H -10.199 4.000 -1.399 1.00 . A A . 3 ALA HB2 1 1 4 1052 1 1 3 ALA HB3 H -11.551 4.100 -2.526 1.00 . A A . 3 ALA HB3 1 1 4 1053 1 1 3 ALA N N -12.455 3.185 -0.183 1.00 . A A . 3 ALA N 1 1 4 1054 1 1 3 ALA O O -9.783 1.955 0.225 1.00 . A A . 3 ALA O 1 1 4 1055 1 1 4 LYS C C -8.966 -0.999 -0.567 1.00 . A A . 4 LYS C 1 1 4 1056 1 1 4 LYS CA C -10.263 -0.773 0.198 1.00 . A A . 4 LYS CA 1 1 4 1057 1 1 4 LYS CB C -11.079 -2.052 0.292 1.00 . A A . 4 LYS CB 1 1 4 1058 1 1 4 LYS CD C -13.303 -3.044 0.959 1.00 . A A . 4 LYS CD 1 1 4 1059 1 1 4 LYS CE C -12.816 -3.974 2.057 1.00 . A A . 4 LYS CE 1 1 4 1060 1 1 4 LYS CG C -12.464 -1.797 0.864 1.00 . A A . 4 LYS CG 1 1 4 1061 1 1 4 LYS H H -11.853 -0.027 -0.968 1.00 . A A . 4 LYS H 1 1 4 1062 1 1 4 LYS HA H -10.029 -0.422 1.192 1.00 . A A . 4 LYS HA 1 1 4 1063 1 1 4 LYS HB2 H -11.181 -2.479 -0.695 1.00 . A A . 4 LYS HB2 1 1 4 1064 1 1 4 LYS HB3 H -10.568 -2.752 0.936 1.00 . A A . 4 LYS HB3 1 1 4 1065 1 1 4 LYS HD2 H -14.320 -2.742 1.143 1.00 . A A . 4 LYS HD2 1 1 4 1066 1 1 4 LYS HD3 H -13.258 -3.560 0.011 1.00 . A A . 4 LYS HD3 1 1 4 1067 1 1 4 LYS HE2 H -11.836 -4.344 1.792 1.00 . A A . 4 LYS HE2 1 1 4 1068 1 1 4 LYS HE3 H -12.752 -3.417 2.980 1.00 . A A . 4 LYS HE3 1 1 4 1069 1 1 4 LYS HG2 H -12.356 -1.383 1.856 1.00 . A A . 4 LYS HG2 1 1 4 1070 1 1 4 LYS HG3 H -12.969 -1.076 0.237 1.00 . A A . 4 LYS HG3 1 1 4 1071 1 1 4 LYS HZ1 H -14.668 -4.801 2.541 1.00 . A A . 4 LYS HZ1 1 1 4 1072 1 1 4 LYS HZ2 H -13.356 -5.760 2.980 1.00 . A A . 4 LYS HZ2 1 1 4 1073 1 1 4 LYS HZ3 H -13.836 -5.670 1.371 1.00 . A A . 4 LYS HZ3 1 1 4 1074 1 1 4 LYS N N -11.054 0.255 -0.470 1.00 . A A . 4 LYS N 1 1 4 1075 1 1 4 LYS NZ N -13.722 -5.121 2.247 1.00 . A A . 4 LYS NZ 1 1 4 1076 1 1 4 LYS O O -8.047 -1.664 -0.101 1.00 . A A . 4 LYS O 1 1 4 1077 1 1 5 LEU C C -6.686 0.528 -1.983 1.00 . A A . 5 LEU C 1 1 4 1078 1 1 5 LEU CA C -7.733 -0.405 -2.574 1.00 . A A . 5 LEU CA 1 1 4 1079 1 1 5 LEU CB C -8.057 0.051 -4.018 1.00 . A A . 5 LEU CB 1 1 4 1080 1 1 5 LEU CD1 C -10.263 -1.175 -4.407 1.00 . A A . 5 LEU CD1 1 1 4 1081 1 1 5 LEU CD2 C -8.948 -0.320 -6.329 1.00 . A A . 5 LEU CD2 1 1 4 1082 1 1 5 LEU CG C -8.866 -0.901 -4.934 1.00 . A A . 5 LEU CG 1 1 4 1083 1 1 5 LEU H H -9.722 0.049 -2.049 1.00 . A A . 5 LEU H 1 1 4 1084 1 1 5 LEU HA H -7.340 -1.411 -2.603 1.00 . A A . 5 LEU HA 1 1 4 1085 1 1 5 LEU HB2 H -8.608 0.977 -3.951 1.00 . A A . 5 LEU HB2 1 1 4 1086 1 1 5 LEU HB3 H -7.117 0.264 -4.507 1.00 . A A . 5 LEU HB3 1 1 4 1087 1 1 5 LEU HD11 H -10.194 -1.627 -3.429 1.00 . A A . 5 LEU HD11 1 1 4 1088 1 1 5 LEU HD12 H -10.776 -1.847 -5.079 1.00 . A A . 5 LEU HD12 1 1 4 1089 1 1 5 LEU HD13 H -10.809 -0.246 -4.338 1.00 . A A . 5 LEU HD13 1 1 4 1090 1 1 5 LEU HD21 H -9.517 -0.984 -6.963 1.00 . A A . 5 LEU HD21 1 1 4 1091 1 1 5 LEU HD22 H -7.953 -0.200 -6.730 1.00 . A A . 5 LEU HD22 1 1 4 1092 1 1 5 LEU HD23 H -9.436 0.643 -6.289 1.00 . A A . 5 LEU HD23 1 1 4 1093 1 1 5 LEU HG H -8.347 -1.845 -5.006 1.00 . A A . 5 LEU HG 1 1 4 1094 1 1 5 LEU N N -8.909 -0.402 -1.741 1.00 . A A . 5 LEU N 1 1 4 1095 1 1 5 LEU O O -5.506 0.316 -2.165 1.00 . A A . 5 LEU O 1 1 4 1096 1 1 6 LEU C C -5.169 1.919 0.273 1.00 . A A . 6 LEU C 1 1 4 1097 1 1 6 LEU CA C -6.255 2.556 -0.647 1.00 . A A . 6 LEU CA 1 1 4 1098 1 1 6 LEU CB C -7.087 3.700 0.043 1.00 . A A . 6 LEU CB 1 1 4 1099 1 1 6 LEU CD1 C -7.359 6.057 0.872 1.00 . A A . 6 LEU CD1 1 1 4 1100 1 1 6 LEU CD2 C -5.548 4.681 1.841 1.00 . A A . 6 LEU CD2 1 1 4 1101 1 1 6 LEU CG C -6.346 4.966 0.570 1.00 . A A . 6 LEU CG 1 1 4 1102 1 1 6 LEU H H -8.106 1.599 -1.058 1.00 . A A . 6 LEU H 1 1 4 1103 1 1 6 LEU HA H -5.722 2.978 -1.487 1.00 . A A . 6 LEU HA 1 1 4 1104 1 1 6 LEU HB2 H -7.809 4.043 -0.682 1.00 . A A . 6 LEU HB2 1 1 4 1105 1 1 6 LEU HB3 H -7.641 3.276 0.865 1.00 . A A . 6 LEU HB3 1 1 4 1106 1 1 6 LEU HD11 H -8.051 5.708 1.623 1.00 . A A . 6 LEU HD11 1 1 4 1107 1 1 6 LEU HD12 H -7.900 6.307 -0.028 1.00 . A A . 6 LEU HD12 1 1 4 1108 1 1 6 LEU HD13 H -6.845 6.935 1.237 1.00 . A A . 6 LEU HD13 1 1 4 1109 1 1 6 LEU HD21 H -6.216 4.340 2.619 1.00 . A A . 6 LEU HD21 1 1 4 1110 1 1 6 LEU HD22 H -5.049 5.582 2.165 1.00 . A A . 6 LEU HD22 1 1 4 1111 1 1 6 LEU HD23 H -4.812 3.915 1.640 1.00 . A A . 6 LEU HD23 1 1 4 1112 1 1 6 LEU HG H -5.674 5.331 -0.194 1.00 . A A . 6 LEU HG 1 1 4 1113 1 1 6 LEU N N -7.143 1.542 -1.235 1.00 . A A . 6 LEU N 1 1 4 1114 1 1 6 LEU O O -3.981 2.178 0.073 1.00 . A A . 6 LEU O 1 1 4 1115 1 1 7 PRO C C -3.632 -0.531 1.295 1.00 . A A . 7 PRO C 1 1 4 1116 1 1 7 PRO CA C -4.517 0.403 2.116 1.00 . A A . 7 PRO CA 1 1 4 1117 1 1 7 PRO CB C -5.333 -0.411 3.129 1.00 . A A . 7 PRO CB 1 1 4 1118 1 1 7 PRO CD C -6.891 0.686 1.711 1.00 . A A . 7 PRO CD 1 1 4 1119 1 1 7 PRO CG C -6.687 0.192 3.104 1.00 . A A . 7 PRO CG 1 1 4 1120 1 1 7 PRO HA H -3.900 1.126 2.630 1.00 . A A . 7 PRO HA 1 1 4 1121 1 1 7 PRO HB2 H -5.355 -1.446 2.820 1.00 . A A . 7 PRO HB2 1 1 4 1122 1 1 7 PRO HB3 H -4.883 -0.333 4.108 1.00 . A A . 7 PRO HB3 1 1 4 1123 1 1 7 PRO HD2 H -7.296 -0.100 1.088 1.00 . A A . 7 PRO HD2 1 1 4 1124 1 1 7 PRO HD3 H -7.549 1.542 1.714 1.00 . A A . 7 PRO HD3 1 1 4 1125 1 1 7 PRO HG2 H -7.423 -0.560 3.345 1.00 . A A . 7 PRO HG2 1 1 4 1126 1 1 7 PRO HG3 H -6.745 1.010 3.806 1.00 . A A . 7 PRO HG3 1 1 4 1127 1 1 7 PRO N N -5.528 1.058 1.281 1.00 . A A . 7 PRO N 1 1 4 1128 1 1 7 PRO O O -2.439 -0.656 1.561 1.00 . A A . 7 PRO O 1 1 4 1129 1 1 8 ARG C C -2.500 -1.422 -1.475 1.00 . A A . 8 ARG C 1 1 4 1130 1 1 8 ARG CA C -3.525 -2.101 -0.574 1.00 . A A . 8 ARG CA 1 1 4 1131 1 1 8 ARG CB C -4.520 -2.905 -1.409 1.00 . A A . 8 ARG CB 1 1 4 1132 1 1 8 ARG CD C -6.513 -4.442 -1.437 1.00 . A A . 8 ARG CD 1 1 4 1133 1 1 8 ARG CG C -5.577 -3.610 -0.578 1.00 . A A . 8 ARG CG 1 1 4 1134 1 1 8 ARG CZ C -6.438 -6.607 -2.663 1.00 . A A . 8 ARG CZ 1 1 4 1135 1 1 8 ARG H H -5.148 -0.896 0.069 1.00 . A A . 8 ARG H 1 1 4 1136 1 1 8 ARG HA H -3.001 -2.777 0.085 1.00 . A A . 8 ARG HA 1 1 4 1137 1 1 8 ARG HB2 H -5.020 -2.232 -2.089 1.00 . A A . 8 ARG HB2 1 1 4 1138 1 1 8 ARG HB3 H -3.982 -3.648 -1.978 1.00 . A A . 8 ARG HB3 1 1 4 1139 1 1 8 ARG HD2 H -7.325 -4.800 -0.822 1.00 . A A . 8 ARG HD2 1 1 4 1140 1 1 8 ARG HD3 H -6.907 -3.819 -2.226 1.00 . A A . 8 ARG HD3 1 1 4 1141 1 1 8 ARG HE H -4.852 -5.610 -1.914 1.00 . A A . 8 ARG HE 1 1 4 1142 1 1 8 ARG HG2 H -5.081 -4.265 0.123 1.00 . A A . 8 ARG HG2 1 1 4 1143 1 1 8 ARG HG3 H -6.150 -2.870 -0.040 1.00 . A A . 8 ARG HG3 1 1 4 1144 1 1 8 ARG HH11 H -8.333 -5.807 -2.587 1.00 . A A . 8 ARG HH11 1 1 4 1145 1 1 8 ARG HH12 H -8.235 -7.325 -3.345 1.00 . A A . 8 ARG HH12 1 1 4 1146 1 1 8 ARG HH21 H -4.731 -7.695 -2.928 1.00 . A A . 8 ARG HH21 1 1 4 1147 1 1 8 ARG HH22 H -6.129 -8.441 -3.533 1.00 . A A . 8 ARG HH22 1 1 4 1148 1 1 8 ARG N N -4.217 -1.131 0.266 1.00 . A A . 8 ARG N 1 1 4 1149 1 1 8 ARG NE N -5.828 -5.595 -2.037 1.00 . A A . 8 ARG NE 1 1 4 1150 1 1 8 ARG NH1 N -7.756 -6.576 -2.879 1.00 . A A . 8 ARG NH1 1 1 4 1151 1 1 8 ARG NH2 N -5.724 -7.645 -3.073 1.00 . A A . 8 ARG NH2 1 1 4 1152 1 1 8 ARG O O -1.386 -1.911 -1.632 1.00 . A A . 8 ARG O 1 1 4 1153 1 1 9 ILE C C -0.853 1.073 -2.038 1.00 . A A . 9 ILE C 1 1 4 1154 1 1 9 ILE CA C -1.933 0.445 -2.890 1.00 . A A . 9 ILE CA 1 1 4 1155 1 1 9 ILE CB C -2.601 1.514 -3.813 1.00 . A A . 9 ILE CB 1 1 4 1156 1 1 9 ILE CD1 C -4.016 3.651 -3.842 1.00 . A A . 9 ILE CD1 1 1 4 1157 1 1 9 ILE CG1 C -3.363 2.573 -3.004 1.00 . A A . 9 ILE CG1 1 1 4 1158 1 1 9 ILE CG2 C -3.514 0.844 -4.828 1.00 . A A . 9 ILE CG2 1 1 4 1159 1 1 9 ILE H H -3.783 0.047 -1.934 1.00 . A A . 9 ILE H 1 1 4 1160 1 1 9 ILE HA H -1.448 -0.297 -3.510 1.00 . A A . 9 ILE HA 1 1 4 1161 1 1 9 ILE HB H -1.809 1.997 -4.368 1.00 . A A . 9 ILE HB 1 1 4 1162 1 1 9 ILE HD11 H -4.539 4.340 -3.196 1.00 . A A . 9 ILE HD11 1 1 4 1163 1 1 9 ILE HD12 H -4.716 3.197 -4.529 1.00 . A A . 9 ILE HD12 1 1 4 1164 1 1 9 ILE HD13 H -3.258 4.182 -4.396 1.00 . A A . 9 ILE HD13 1 1 4 1165 1 1 9 ILE HG12 H -4.139 2.077 -2.441 1.00 . A A . 9 ILE HG12 1 1 4 1166 1 1 9 ILE HG13 H -2.678 3.048 -2.316 1.00 . A A . 9 ILE HG13 1 1 4 1167 1 1 9 ILE HG21 H -2.927 0.180 -5.442 1.00 . A A . 9 ILE HG21 1 1 4 1168 1 1 9 ILE HG22 H -3.981 1.596 -5.447 1.00 . A A . 9 ILE HG22 1 1 4 1169 1 1 9 ILE HG23 H -4.275 0.278 -4.310 1.00 . A A . 9 ILE HG23 1 1 4 1170 1 1 9 ILE N N -2.864 -0.288 -2.054 1.00 . A A . 9 ILE N 1 1 4 1171 1 1 9 ILE O O 0.311 1.098 -2.430 1.00 . A A . 9 ILE O 1 1 4 1172 1 1 10 LYS C C 0.714 1.018 0.508 1.00 . A A . 10 LYS C 1 1 4 1173 1 1 10 LYS CA C -0.264 2.097 0.079 1.00 . A A . 10 LYS CA 1 1 4 1174 1 1 10 LYS CB C -0.942 2.732 1.310 1.00 . A A . 10 LYS CB 1 1 4 1175 1 1 10 LYS CD C -0.648 4.009 3.483 1.00 . A A . 10 LYS CD 1 1 4 1176 1 1 10 LYS CE C 0.350 4.751 4.369 1.00 . A A . 10 LYS CE 1 1 4 1177 1 1 10 LYS CG C 0.039 3.440 2.250 1.00 . A A . 10 LYS CG 1 1 4 1178 1 1 10 LYS H H -2.173 1.467 -0.573 1.00 . A A . 10 LYS H 1 1 4 1179 1 1 10 LYS HA H 0.282 2.855 -0.463 1.00 . A A . 10 LYS HA 1 1 4 1180 1 1 10 LYS HB2 H -1.671 3.453 0.972 1.00 . A A . 10 LYS HB2 1 1 4 1181 1 1 10 LYS HB3 H -1.449 1.959 1.867 1.00 . A A . 10 LYS HB3 1 1 4 1182 1 1 10 LYS HD2 H -1.427 4.690 3.175 1.00 . A A . 10 LYS HD2 1 1 4 1183 1 1 10 LYS HD3 H -1.080 3.196 4.048 1.00 . A A . 10 LYS HD3 1 1 4 1184 1 1 10 LYS HE2 H 1.131 4.066 4.662 1.00 . A A . 10 LYS HE2 1 1 4 1185 1 1 10 LYS HE3 H 0.781 5.557 3.795 1.00 . A A . 10 LYS HE3 1 1 4 1186 1 1 10 LYS HG2 H 0.788 2.730 2.568 1.00 . A A . 10 LYS HG2 1 1 4 1187 1 1 10 LYS HG3 H 0.517 4.244 1.709 1.00 . A A . 10 LYS HG3 1 1 4 1188 1 1 10 LYS HZ1 H 0.432 5.832 6.141 1.00 . A A . 10 LYS HZ1 1 1 4 1189 1 1 10 LYS HZ2 H -0.663 4.554 6.193 1.00 . A A . 10 LYS HZ2 1 1 4 1190 1 1 10 LYS HZ3 H -1.046 5.961 5.347 1.00 . A A . 10 LYS HZ3 1 1 4 1191 1 1 10 LYS N N -1.227 1.520 -0.834 1.00 . A A . 10 LYS N 1 1 4 1192 1 1 10 LYS NZ N -0.276 5.307 5.589 1.00 . A A . 10 LYS NZ 1 1 4 1193 1 1 10 LYS O O 1.885 1.265 0.617 1.00 . A A . 10 LYS O 1 1 4 1194 1 1 11 LYS C C 2.126 -1.607 0.061 1.00 . A A . 11 LYS C 1 1 4 1195 1 1 11 LYS CA C 0.991 -1.363 1.066 1.00 . A A . 11 LYS CA 1 1 4 1196 1 1 11 LYS CB C 0.057 -2.589 1.140 1.00 . A A . 11 LYS CB 1 1 4 1197 1 1 11 LYS CD C 1.212 -3.806 3.015 1.00 . A A . 11 LYS CD 1 1 4 1198 1 1 11 LYS CE C 1.756 -5.144 3.468 1.00 . A A . 11 LYS CE 1 1 4 1199 1 1 11 LYS CG C 0.691 -3.893 1.595 1.00 . A A . 11 LYS CG 1 1 4 1200 1 1 11 LYS H H -0.761 -0.312 0.520 1.00 . A A . 11 LYS H 1 1 4 1201 1 1 11 LYS HA H 1.407 -1.177 2.045 1.00 . A A . 11 LYS HA 1 1 4 1202 1 1 11 LYS HB2 H -0.749 -2.363 1.823 1.00 . A A . 11 LYS HB2 1 1 4 1203 1 1 11 LYS HB3 H -0.368 -2.744 0.159 1.00 . A A . 11 LYS HB3 1 1 4 1204 1 1 11 LYS HD2 H 2.004 -3.072 3.058 1.00 . A A . 11 LYS HD2 1 1 4 1205 1 1 11 LYS HD3 H 0.407 -3.511 3.670 1.00 . A A . 11 LYS HD3 1 1 4 1206 1 1 11 LYS HE2 H 0.949 -5.862 3.478 1.00 . A A . 11 LYS HE2 1 1 4 1207 1 1 11 LYS HE3 H 2.506 -5.458 2.758 1.00 . A A . 11 LYS HE3 1 1 4 1208 1 1 11 LYS HG2 H -0.046 -4.680 1.542 1.00 . A A . 11 LYS HG2 1 1 4 1209 1 1 11 LYS HG3 H 1.511 -4.126 0.931 1.00 . A A . 11 LYS HG3 1 1 4 1210 1 1 11 LYS HZ1 H 3.121 -4.376 4.810 1.00 . A A . 11 LYS HZ1 1 1 4 1211 1 1 11 LYS HZ2 H 2.763 -5.997 5.079 1.00 . A A . 11 LYS HZ2 1 1 4 1212 1 1 11 LYS HZ3 H 1.657 -4.794 5.532 1.00 . A A . 11 LYS HZ3 1 1 4 1213 1 1 11 LYS N N 0.202 -0.197 0.668 1.00 . A A . 11 LYS N 1 1 4 1214 1 1 11 LYS NZ N 2.353 -5.078 4.813 1.00 . A A . 11 LYS NZ 1 1 4 1215 1 1 11 LYS O O 3.249 -1.956 0.436 1.00 . A A . 11 LYS O 1 1 4 1216 1 1 12 LYS C C 3.755 -0.380 -2.324 1.00 . A A . 12 LYS C 1 1 4 1217 1 1 12 LYS CA C 2.793 -1.573 -2.269 1.00 . A A . 12 LYS CA 1 1 4 1218 1 1 12 LYS CB C 2.058 -1.709 -3.606 1.00 . A A . 12 LYS CB 1 1 4 1219 1 1 12 LYS CD C 0.285 -2.881 -4.946 1.00 . A A . 12 LYS CD 1 1 4 1220 1 1 12 LYS CE C -0.786 -3.956 -4.919 1.00 . A A . 12 LYS CE 1 1 4 1221 1 1 12 LYS CG C 1.030 -2.828 -3.626 1.00 . A A . 12 LYS CG 1 1 4 1222 1 1 12 LYS H H 0.916 -1.100 -1.415 1.00 . A A . 12 LYS H 1 1 4 1223 1 1 12 LYS HA H 3.349 -2.478 -2.079 1.00 . A A . 12 LYS HA 1 1 4 1224 1 1 12 LYS HB2 H 1.550 -0.780 -3.817 1.00 . A A . 12 LYS HB2 1 1 4 1225 1 1 12 LYS HB3 H 2.781 -1.896 -4.385 1.00 . A A . 12 LYS HB3 1 1 4 1226 1 1 12 LYS HD2 H -0.180 -1.923 -5.128 1.00 . A A . 12 LYS HD2 1 1 4 1227 1 1 12 LYS HD3 H 0.988 -3.099 -5.737 1.00 . A A . 12 LYS HD3 1 1 4 1228 1 1 12 LYS HE2 H -0.315 -4.902 -4.702 1.00 . A A . 12 LYS HE2 1 1 4 1229 1 1 12 LYS HE3 H -1.495 -3.721 -4.139 1.00 . A A . 12 LYS HE3 1 1 4 1230 1 1 12 LYS HG2 H 1.534 -3.770 -3.471 1.00 . A A . 12 LYS HG2 1 1 4 1231 1 1 12 LYS HG3 H 0.322 -2.663 -2.828 1.00 . A A . 12 LYS HG3 1 1 4 1232 1 1 12 LYS HZ1 H -1.952 -3.170 -6.474 1.00 . A A . 12 LYS HZ1 1 1 4 1233 1 1 12 LYS HZ2 H -2.245 -4.793 -6.157 1.00 . A A . 12 LYS HZ2 1 1 4 1234 1 1 12 LYS HZ3 H -0.851 -4.341 -6.971 1.00 . A A . 12 LYS HZ3 1 1 4 1235 1 1 12 LYS N N 1.827 -1.390 -1.199 1.00 . A A . 12 LYS N 1 1 4 1236 1 1 12 LYS NZ N -1.502 -4.068 -6.207 1.00 . A A . 12 LYS NZ 1 1 4 1237 1 1 12 LYS O O 4.975 -0.539 -2.226 1.00 . A A . 12 LYS O 1 1 4 1238 1 1 13 ILE C C 4.864 2.308 -1.343 1.00 . A A . 13 ILE C 1 1 4 1239 1 1 13 ILE CA C 3.945 2.059 -2.562 1.00 . A A . 13 ILE CA 1 1 4 1240 1 1 13 ILE CB C 2.982 3.270 -2.781 1.00 . A A . 13 ILE CB 1 1 4 1241 1 1 13 ILE CD1 C 1.085 4.114 -4.294 1.00 . A A . 13 ILE CD1 1 1 4 1242 1 1 13 ILE CG1 C 2.141 3.051 -4.052 1.00 . A A . 13 ILE CG1 1 1 4 1243 1 1 13 ILE CG2 C 3.761 4.578 -2.887 1.00 . A A . 13 ILE CG2 1 1 4 1244 1 1 13 ILE H H 2.201 0.863 -2.401 1.00 . A A . 13 ILE H 1 1 4 1245 1 1 13 ILE HA H 4.568 1.956 -3.438 1.00 . A A . 13 ILE HA 1 1 4 1246 1 1 13 ILE HB H 2.317 3.336 -1.934 1.00 . A A . 13 ILE HB 1 1 4 1247 1 1 13 ILE HD11 H 1.563 5.078 -4.388 1.00 . A A . 13 ILE HD11 1 1 4 1248 1 1 13 ILE HD12 H 0.394 4.133 -3.463 1.00 . A A . 13 ILE HD12 1 1 4 1249 1 1 13 ILE HD13 H 0.548 3.890 -5.204 1.00 . A A . 13 ILE HD13 1 1 4 1250 1 1 13 ILE HG12 H 2.795 3.043 -4.910 1.00 . A A . 13 ILE HG12 1 1 4 1251 1 1 13 ILE HG13 H 1.643 2.096 -3.980 1.00 . A A . 13 ILE HG13 1 1 4 1252 1 1 13 ILE HG21 H 4.325 4.737 -1.979 1.00 . A A . 13 ILE HG21 1 1 4 1253 1 1 13 ILE HG22 H 3.070 5.396 -3.033 1.00 . A A . 13 ILE HG22 1 1 4 1254 1 1 13 ILE HG23 H 4.435 4.526 -3.728 1.00 . A A . 13 ILE HG23 1 1 4 1255 1 1 13 ILE N N 3.184 0.813 -2.423 1.00 . A A . 13 ILE N 1 1 4 1256 1 1 13 ILE O O 6.022 2.744 -1.493 1.00 . A A . 13 ILE O 1 1 4 1257 1 1 14 LEU C C 6.296 1.225 1.122 1.00 . A A . 14 LEU C 1 1 4 1258 1 1 14 LEU CA C 5.118 2.173 1.077 1.00 . A A . 14 LEU CA 1 1 4 1259 1 1 14 LEU CB C 4.220 1.950 2.304 1.00 . A A . 14 LEU CB 1 1 4 1260 1 1 14 LEU CD1 C 5.326 3.551 3.895 1.00 . A A . 14 LEU CD1 1 1 4 1261 1 1 14 LEU CD2 C 3.905 1.679 4.771 1.00 . A A . 14 LEU CD2 1 1 4 1262 1 1 14 LEU CG C 4.870 2.115 3.679 1.00 . A A . 14 LEU CG 1 1 4 1263 1 1 14 LEU H H 3.453 1.628 -0.099 1.00 . A A . 14 LEU H 1 1 4 1264 1 1 14 LEU HA H 5.486 3.188 1.095 1.00 . A A . 14 LEU HA 1 1 4 1265 1 1 14 LEU HB2 H 3.395 2.644 2.242 1.00 . A A . 14 LEU HB2 1 1 4 1266 1 1 14 LEU HB3 H 3.820 0.948 2.241 1.00 . A A . 14 LEU HB3 1 1 4 1267 1 1 14 LEU HD11 H 4.475 4.215 3.842 1.00 . A A . 14 LEU HD11 1 1 4 1268 1 1 14 LEU HD12 H 6.041 3.820 3.133 1.00 . A A . 14 LEU HD12 1 1 4 1269 1 1 14 LEU HD13 H 5.791 3.637 4.866 1.00 . A A . 14 LEU HD13 1 1 4 1270 1 1 14 LEU HD21 H 3.632 0.645 4.618 1.00 . A A . 14 LEU HD21 1 1 4 1271 1 1 14 LEU HD22 H 3.019 2.295 4.741 1.00 . A A . 14 LEU HD22 1 1 4 1272 1 1 14 LEU HD23 H 4.381 1.782 5.735 1.00 . A A . 14 LEU HD23 1 1 4 1273 1 1 14 LEU HG H 5.745 1.483 3.729 1.00 . A A . 14 LEU HG 1 1 4 1274 1 1 14 LEU N N 4.366 1.995 -0.159 1.00 . A A . 14 LEU N 1 1 4 1275 1 1 14 LEU O O 7.371 1.606 1.536 1.00 . A A . 14 LEU O 1 1 4 1276 1 1 15 ALA C C 8.274 -0.609 -0.276 1.00 . A A . 15 ALA C 1 1 4 1277 1 1 15 ALA CA C 7.147 -1.002 0.656 1.00 . A A . 15 ALA CA 1 1 4 1278 1 1 15 ALA CB C 6.596 -2.356 0.274 1.00 . A A . 15 ALA CB 1 1 4 1279 1 1 15 ALA H H 5.217 -0.221 0.277 1.00 . A A . 15 ALA H 1 1 4 1280 1 1 15 ALA HA H 7.537 -1.061 1.662 1.00 . A A . 15 ALA HA 1 1 4 1281 1 1 15 ALA HB1 H 6.212 -2.317 -0.735 1.00 . A A . 15 ALA HB1 1 1 4 1282 1 1 15 ALA HB2 H 5.798 -2.619 0.953 1.00 . A A . 15 ALA HB2 1 1 4 1283 1 1 15 ALA HB3 H 7.379 -3.097 0.333 1.00 . A A . 15 ALA HB3 1 1 4 1284 1 1 15 ALA N N 6.095 0.006 0.648 1.00 . A A . 15 ALA N 1 1 4 1285 1 1 15 ALA O O 9.441 -0.840 0.021 1.00 . A A . 15 ALA O 1 1 4 1286 1 1 16 ALA C C 9.655 1.678 -1.795 1.00 . A A . 16 ALA C 1 1 4 1287 1 1 16 ALA CA C 8.891 0.476 -2.353 1.00 . A A . 16 ALA CA 1 1 4 1288 1 1 16 ALA CB C 8.206 0.836 -3.660 1.00 . A A . 16 ALA CB 1 1 4 1289 1 1 16 ALA H H 6.957 0.103 -1.579 1.00 . A A . 16 ALA H 1 1 4 1290 1 1 16 ALA HA H 9.587 -0.328 -2.538 1.00 . A A . 16 ALA HA 1 1 4 1291 1 1 16 ALA HB1 H 8.945 1.154 -4.380 1.00 . A A . 16 ALA HB1 1 1 4 1292 1 1 16 ALA HB2 H 7.502 1.635 -3.486 1.00 . A A . 16 ALA HB2 1 1 4 1293 1 1 16 ALA HB3 H 7.682 -0.029 -4.040 1.00 . A A . 16 ALA HB3 1 1 4 1294 1 1 16 ALA N N 7.916 -0.001 -1.390 1.00 . A A . 16 ALA N 1 1 4 1295 1 1 16 ALA O O 10.832 1.879 -2.097 1.00 . A A . 16 ALA O 1 1 4 1296 1 1 17 ALA C C 10.435 3.209 0.860 1.00 . A A . 17 ALA C 1 1 4 1297 1 1 17 ALA CA C 9.587 3.626 -0.333 1.00 . A A . 17 ALA CA 1 1 4 1298 1 1 17 ALA CB C 8.514 4.618 0.098 1.00 . A A . 17 ALA CB 1 1 4 1299 1 1 17 ALA H H 8.044 2.246 -0.764 1.00 . A A . 17 ALA H 1 1 4 1300 1 1 17 ALA HA H 10.226 4.105 -1.061 1.00 . A A . 17 ALA HA 1 1 4 1301 1 1 17 ALA HB1 H 7.919 4.902 -0.758 1.00 . A A . 17 ALA HB1 1 1 4 1302 1 1 17 ALA HB2 H 8.982 5.495 0.520 1.00 . A A . 17 ALA HB2 1 1 4 1303 1 1 17 ALA HB3 H 7.879 4.157 0.840 1.00 . A A . 17 ALA HB3 1 1 4 1304 1 1 17 ALA N N 8.980 2.461 -0.960 1.00 . A A . 17 ALA N 1 1 4 1305 1 1 17 ALA O O 11.388 3.897 1.230 1.00 . A A . 17 ALA O 1 1 4 1306 1 1 18 PHE C C 12.017 0.814 2.101 1.00 . A A . 18 PHE C 1 1 4 1307 1 1 18 PHE CA C 10.778 1.548 2.584 1.00 . A A . 18 PHE CA 1 1 4 1308 1 1 18 PHE CB C 9.850 0.621 3.395 1.00 . A A . 18 PHE CB 1 1 4 1309 1 1 18 PHE CD1 C 10.502 0.869 5.807 1.00 . A A . 18 PHE CD1 1 1 4 1310 1 1 18 PHE CD2 C 10.896 -1.223 4.750 1.00 . A A . 18 PHE CD2 1 1 4 1311 1 1 18 PHE CE1 C 11.014 0.373 6.988 1.00 . A A . 18 PHE CE1 1 1 4 1312 1 1 18 PHE CE2 C 11.414 -1.725 5.928 1.00 . A A . 18 PHE CE2 1 1 4 1313 1 1 18 PHE CG C 10.437 0.080 4.675 1.00 . A A . 18 PHE CG 1 1 4 1314 1 1 18 PHE CZ C 11.472 -0.925 7.048 1.00 . A A . 18 PHE CZ 1 1 4 1315 1 1 18 PHE H H 9.290 1.609 1.119 1.00 . A A . 18 PHE H 1 1 4 1316 1 1 18 PHE HA H 11.081 2.376 3.206 1.00 . A A . 18 PHE HA 1 1 4 1317 1 1 18 PHE HB2 H 8.956 1.166 3.657 1.00 . A A . 18 PHE HB2 1 1 4 1318 1 1 18 PHE HB3 H 9.573 -0.218 2.774 1.00 . A A . 18 PHE HB3 1 1 4 1319 1 1 18 PHE HD1 H 10.146 1.888 5.759 1.00 . A A . 18 PHE HD1 1 1 4 1320 1 1 18 PHE HD2 H 10.851 -1.850 3.871 1.00 . A A . 18 PHE HD2 1 1 4 1321 1 1 18 PHE HE1 H 11.059 0.999 7.867 1.00 . A A . 18 PHE HE1 1 1 4 1322 1 1 18 PHE HE2 H 11.773 -2.743 5.970 1.00 . A A . 18 PHE HE2 1 1 4 1323 1 1 18 PHE HZ H 11.874 -1.315 7.972 1.00 . A A . 18 PHE HZ 1 1 4 1324 1 1 18 PHE N N 10.077 2.092 1.453 1.00 . A A . 18 PHE N 1 1 4 1325 1 1 18 PHE O O 11.966 -0.364 1.723 1.00 . A A . 18 PHE O 1 1 4 1326 1 1 19 LYS C C 15.263 0.964 2.770 1.00 . A A . 19 LYS C 1 1 4 1327 1 1 19 LYS CA C 14.331 0.987 1.591 1.00 . A A . 19 LYS CA 1 1 4 1328 1 1 19 LYS CB C 14.913 1.818 0.432 1.00 . A A . 19 LYS CB 1 1 4 1329 1 1 19 LYS CD C 14.645 2.690 -1.921 1.00 . A A . 19 LYS CD 1 1 4 1330 1 1 19 LYS CE C 13.716 2.821 -3.127 1.00 . A A . 19 LYS CE 1 1 4 1331 1 1 19 LYS CG C 13.988 1.928 -0.778 1.00 . A A . 19 LYS CG 1 1 4 1332 1 1 19 LYS H H 13.060 2.468 2.312 1.00 . A A . 19 LYS H 1 1 4 1333 1 1 19 LYS HA H 14.157 -0.026 1.257 1.00 . A A . 19 LYS HA 1 1 4 1334 1 1 19 LYS HB2 H 15.112 2.817 0.792 1.00 . A A . 19 LYS HB2 1 1 4 1335 1 1 19 LYS HB3 H 15.841 1.369 0.113 1.00 . A A . 19 LYS HB3 1 1 4 1336 1 1 19 LYS HD2 H 14.908 3.679 -1.578 1.00 . A A . 19 LYS HD2 1 1 4 1337 1 1 19 LYS HD3 H 15.541 2.167 -2.222 1.00 . A A . 19 LYS HD3 1 1 4 1338 1 1 19 LYS HE2 H 12.841 3.378 -2.831 1.00 . A A . 19 LYS HE2 1 1 4 1339 1 1 19 LYS HE3 H 14.233 3.362 -3.906 1.00 . A A . 19 LYS HE3 1 1 4 1340 1 1 19 LYS HG2 H 13.735 0.937 -1.121 1.00 . A A . 19 LYS HG2 1 1 4 1341 1 1 19 LYS HG3 H 13.088 2.446 -0.481 1.00 . A A . 19 LYS HG3 1 1 4 1342 1 1 19 LYS HZ1 H 12.720 1.623 -4.520 1.00 . A A . 19 LYS HZ1 1 1 4 1343 1 1 19 LYS HZ2 H 12.665 1.023 -2.976 1.00 . A A . 19 LYS HZ2 1 1 4 1344 1 1 19 LYS HZ3 H 14.092 0.889 -3.871 1.00 . A A . 19 LYS HZ3 1 1 4 1345 1 1 19 LYS N N 13.091 1.529 2.031 1.00 . A A . 19 LYS N 1 1 4 1346 1 1 19 LYS NZ N 13.284 1.509 -3.655 1.00 . A A . 19 LYS NZ 1 1 4 1347 1 1 19 LYS O O 15.272 -0.041 3.494 1.00 . A A . 19 LYS O 1 1 4 1348 1 1 19 LYS OXT O 15.933 1.967 3.033 1.00 . A A . 19 LYS OXT 1 1 5 1349 1 1 1 PRO C C -14.413 5.830 1.789 1.00 . A A . 1 PRO C 1 1 5 1350 1 1 1 PRO CA C -15.809 6.396 1.659 1.00 . A A . 1 PRO CA 1 1 5 1351 1 1 1 PRO CB C -16.716 5.392 0.958 1.00 . A A . 1 PRO CB 1 1 5 1352 1 1 1 PRO CD C -16.784 7.477 -0.236 1.00 . A A . 1 PRO CD 1 1 5 1353 1 1 1 PRO CG C -16.901 5.978 -0.409 1.00 . A A . 1 PRO CG 1 1 5 1354 1 1 1 PRO H2 H -15.456 7.473 -0.098 1.00 . A A . 1 PRO H2 1 1 5 1355 1 1 1 PRO H3 H -15.015 8.170 1.331 1.00 . A A . 1 PRO H3 1 1 5 1356 1 1 1 PRO HA H -16.211 6.622 2.633 1.00 . A A . 1 PRO HA 1 1 5 1357 1 1 1 PRO HB2 H -16.227 4.430 0.924 1.00 . A A . 1 PRO HB2 1 1 5 1358 1 1 1 PRO HB3 H -17.656 5.313 1.484 1.00 . A A . 1 PRO HB3 1 1 5 1359 1 1 1 PRO HD2 H -16.496 7.934 -1.175 1.00 . A A . 1 PRO HD2 1 1 5 1360 1 1 1 PRO HD3 H -17.762 7.848 0.041 1.00 . A A . 1 PRO HD3 1 1 5 1361 1 1 1 PRO HG2 H -16.130 5.616 -1.072 1.00 . A A . 1 PRO HG2 1 1 5 1362 1 1 1 PRO HG3 H -17.877 5.722 -0.794 1.00 . A A . 1 PRO HG3 1 1 5 1363 1 1 1 PRO N N -15.771 7.617 0.878 1.00 . A A . 1 PRO N 1 1 5 1364 1 1 1 PRO O O -13.567 6.070 0.932 1.00 . A A . 1 PRO O 1 1 5 1365 1 1 2 MET C C -12.711 3.280 2.162 1.00 . A A . 2 MET C 1 1 5 1366 1 1 2 MET CA C -12.863 4.493 3.060 1.00 . A A . 2 MET CA 1 1 5 1367 1 1 2 MET CB C -12.663 4.119 4.524 1.00 . A A . 2 MET CB 1 1 5 1368 1 1 2 MET CE C -9.773 5.203 5.449 1.00 . A A . 2 MET CE 1 1 5 1369 1 1 2 MET CG C -12.564 5.316 5.451 1.00 . A A . 2 MET CG 1 1 5 1370 1 1 2 MET H H -14.845 4.992 3.546 1.00 . A A . 2 MET H 1 1 5 1371 1 1 2 MET HA H -12.114 5.218 2.778 1.00 . A A . 2 MET HA 1 1 5 1372 1 1 2 MET HB2 H -13.500 3.515 4.842 1.00 . A A . 2 MET HB2 1 1 5 1373 1 1 2 MET HB3 H -11.758 3.539 4.619 1.00 . A A . 2 MET HB3 1 1 5 1374 1 1 2 MET HE1 H -9.850 4.839 6.463 1.00 . A A . 2 MET HE1 1 1 5 1375 1 1 2 MET HE2 H -8.827 5.710 5.324 1.00 . A A . 2 MET HE2 1 1 5 1376 1 1 2 MET HE3 H -9.827 4.374 4.759 1.00 . A A . 2 MET HE3 1 1 5 1377 1 1 2 MET HG2 H -13.451 5.917 5.321 1.00 . A A . 2 MET HG2 1 1 5 1378 1 1 2 MET HG3 H -12.522 4.961 6.469 1.00 . A A . 2 MET HG3 1 1 5 1379 1 1 2 MET N N -14.156 5.113 2.857 1.00 . A A . 2 MET N 1 1 5 1380 1 1 2 MET O O -13.410 2.279 2.320 1.00 . A A . 2 MET O 1 1 5 1381 1 1 2 MET SD S -11.115 6.358 5.122 1.00 . A A . 2 MET SD 1 1 5 1382 1 1 3 ALA C C -10.660 1.311 0.873 1.00 . A A . 3 ALA C 1 1 5 1383 1 1 3 ALA CA C -11.577 2.344 0.244 1.00 . A A . 3 ALA CA 1 1 5 1384 1 1 3 ALA CB C -10.941 2.925 -1.008 1.00 . A A . 3 ALA CB 1 1 5 1385 1 1 3 ALA H H -11.342 4.241 1.110 1.00 . A A . 3 ALA H 1 1 5 1386 1 1 3 ALA HA H -12.514 1.880 -0.024 1.00 . A A . 3 ALA HA 1 1 5 1387 1 1 3 ALA HB1 H -10.014 3.408 -0.740 1.00 . A A . 3 ALA HB1 1 1 5 1388 1 1 3 ALA HB2 H -11.606 3.652 -1.447 1.00 . A A . 3 ALA HB2 1 1 5 1389 1 1 3 ALA HB3 H -10.742 2.137 -1.719 1.00 . A A . 3 ALA HB3 1 1 5 1390 1 1 3 ALA N N -11.840 3.402 1.191 1.00 . A A . 3 ALA N 1 1 5 1391 1 1 3 ALA O O -9.769 1.660 1.647 1.00 . A A . 3 ALA O 1 1 5 1392 1 1 4 LYS C C -8.896 -1.350 0.222 1.00 . A A . 4 LYS C 1 1 5 1393 1 1 4 LYS CA C -10.086 -1.038 1.100 1.00 . A A . 4 LYS CA 1 1 5 1394 1 1 4 LYS CB C -10.938 -2.295 1.345 1.00 . A A . 4 LYS CB 1 1 5 1395 1 1 4 LYS CD C -12.798 -1.157 2.667 1.00 . A A . 4 LYS CD 1 1 5 1396 1 1 4 LYS CE C -13.523 -1.112 4.003 1.00 . A A . 4 LYS CE 1 1 5 1397 1 1 4 LYS CG C -11.764 -2.270 2.633 1.00 . A A . 4 LYS CG 1 1 5 1398 1 1 4 LYS H H -11.595 -0.147 -0.083 1.00 . A A . 4 LYS H 1 1 5 1399 1 1 4 LYS HA H -9.704 -0.693 2.050 1.00 . A A . 4 LYS HA 1 1 5 1400 1 1 4 LYS HB2 H -11.620 -2.411 0.516 1.00 . A A . 4 LYS HB2 1 1 5 1401 1 1 4 LYS HB3 H -10.286 -3.155 1.377 1.00 . A A . 4 LYS HB3 1 1 5 1402 1 1 4 LYS HD2 H -12.304 -0.212 2.502 1.00 . A A . 4 LYS HD2 1 1 5 1403 1 1 4 LYS HD3 H -13.519 -1.325 1.880 1.00 . A A . 4 LYS HD3 1 1 5 1404 1 1 4 LYS HE2 H -14.275 -0.338 3.965 1.00 . A A . 4 LYS HE2 1 1 5 1405 1 1 4 LYS HE3 H -14.001 -2.067 4.157 1.00 . A A . 4 LYS HE3 1 1 5 1406 1 1 4 LYS HG2 H -12.279 -3.214 2.738 1.00 . A A . 4 LYS HG2 1 1 5 1407 1 1 4 LYS HG3 H -11.086 -2.142 3.463 1.00 . A A . 4 LYS HG3 1 1 5 1408 1 1 4 LYS HZ1 H -13.139 -0.780 6.023 1.00 . A A . 4 LYS HZ1 1 1 5 1409 1 1 4 LYS HZ2 H -12.117 0.070 5.022 1.00 . A A . 4 LYS HZ2 1 1 5 1410 1 1 4 LYS HZ3 H -11.890 -1.591 5.243 1.00 . A A . 4 LYS HZ3 1 1 5 1411 1 1 4 LYS N N -10.877 0.057 0.556 1.00 . A A . 4 LYS N 1 1 5 1412 1 1 4 LYS NZ N -12.604 -0.842 5.134 1.00 . A A . 4 LYS NZ 1 1 5 1413 1 1 4 LYS O O -7.863 -1.822 0.697 1.00 . A A . 4 LYS O 1 1 5 1414 1 1 5 LEU C C -6.926 -0.117 -1.875 1.00 . A A . 5 LEU C 1 1 5 1415 1 1 5 LEU CA C -7.914 -1.262 -1.956 1.00 . A A . 5 LEU CA 1 1 5 1416 1 1 5 LEU CB C -8.343 -1.568 -3.402 1.00 . A A . 5 LEU CB 1 1 5 1417 1 1 5 LEU CD1 C -10.271 -3.205 -3.074 1.00 . A A . 5 LEU CD1 1 1 5 1418 1 1 5 LEU CD2 C -8.872 -3.308 -5.142 1.00 . A A . 5 LEU CD2 1 1 5 1419 1 1 5 LEU CG C -8.888 -2.988 -3.664 1.00 . A A . 5 LEU CG 1 1 5 1420 1 1 5 LEU H H -9.878 -0.732 -1.394 1.00 . A A . 5 LEU H 1 1 5 1421 1 1 5 LEU HA H -7.394 -2.124 -1.563 1.00 . A A . 5 LEU HA 1 1 5 1422 1 1 5 LEU HB2 H -9.111 -0.860 -3.673 1.00 . A A . 5 LEU HB2 1 1 5 1423 1 1 5 LEU HB3 H -7.493 -1.408 -4.048 1.00 . A A . 5 LEU HB3 1 1 5 1424 1 1 5 LEU HD11 H -10.591 -4.218 -3.265 1.00 . A A . 5 LEU HD11 1 1 5 1425 1 1 5 LEU HD12 H -10.967 -2.519 -3.534 1.00 . A A . 5 LEU HD12 1 1 5 1426 1 1 5 LEU HD13 H -10.241 -3.030 -2.008 1.00 . A A . 5 LEU HD13 1 1 5 1427 1 1 5 LEU HD21 H -9.286 -4.293 -5.305 1.00 . A A . 5 LEU HD21 1 1 5 1428 1 1 5 LEU HD22 H -7.854 -3.283 -5.504 1.00 . A A . 5 LEU HD22 1 1 5 1429 1 1 5 LEU HD23 H -9.462 -2.575 -5.670 1.00 . A A . 5 LEU HD23 1 1 5 1430 1 1 5 LEU HG H -8.229 -3.688 -3.171 1.00 . A A . 5 LEU HG 1 1 5 1431 1 1 5 LEU N N -9.019 -1.063 -1.051 1.00 . A A . 5 LEU N 1 1 5 1432 1 1 5 LEU O O -5.784 -0.240 -2.317 1.00 . A A . 5 LEU O 1 1 5 1433 1 1 6 LEU C C -5.317 1.820 -0.134 1.00 . A A . 6 LEU C 1 1 5 1434 1 1 6 LEU CA C -6.501 2.146 -1.094 1.00 . A A . 6 LEU CA 1 1 5 1435 1 1 6 LEU CB C -7.294 3.388 -0.638 1.00 . A A . 6 LEU CB 1 1 5 1436 1 1 6 LEU CD1 C -5.831 5.163 -1.679 1.00 . A A . 6 LEU CD1 1 1 5 1437 1 1 6 LEU CD2 C -7.355 5.743 0.224 1.00 . A A . 6 LEU CD2 1 1 5 1438 1 1 6 LEU CG C -6.480 4.666 -0.391 1.00 . A A . 6 LEU CG 1 1 5 1439 1 1 6 LEU H H -8.296 1.013 -0.996 1.00 . A A . 6 LEU H 1 1 5 1440 1 1 6 LEU HA H -6.062 2.347 -2.061 1.00 . A A . 6 LEU HA 1 1 5 1441 1 1 6 LEU HB2 H -8.010 3.611 -1.416 1.00 . A A . 6 LEU HB2 1 1 5 1442 1 1 6 LEU HB3 H -7.841 3.157 0.261 1.00 . A A . 6 LEU HB3 1 1 5 1443 1 1 6 LEU HD11 H -5.164 4.406 -2.064 1.00 . A A . 6 LEU HD11 1 1 5 1444 1 1 6 LEU HD12 H -5.272 6.065 -1.474 1.00 . A A . 6 LEU HD12 1 1 5 1445 1 1 6 LEU HD13 H -6.597 5.375 -2.410 1.00 . A A . 6 LEU HD13 1 1 5 1446 1 1 6 LEU HD21 H -6.771 6.638 0.380 1.00 . A A . 6 LEU HD21 1 1 5 1447 1 1 6 LEU HD22 H -7.745 5.396 1.170 1.00 . A A . 6 LEU HD22 1 1 5 1448 1 1 6 LEU HD23 H -8.176 5.962 -0.444 1.00 . A A . 6 LEU HD23 1 1 5 1449 1 1 6 LEU HG H -5.685 4.438 0.305 1.00 . A A . 6 LEU HG 1 1 5 1450 1 1 6 LEU N N -7.365 0.991 -1.298 1.00 . A A . 6 LEU N 1 1 5 1451 1 1 6 LEU O O -4.182 2.101 -0.480 1.00 . A A . 6 LEU O 1 1 5 1452 1 1 7 PRO C C -3.534 -0.254 1.283 1.00 . A A . 7 PRO C 1 1 5 1453 1 1 7 PRO CA C -4.440 0.784 1.968 1.00 . A A . 7 PRO CA 1 1 5 1454 1 1 7 PRO CB C -5.149 0.159 3.165 1.00 . A A . 7 PRO CB 1 1 5 1455 1 1 7 PRO CD C -6.843 0.976 1.745 1.00 . A A . 7 PRO CD 1 1 5 1456 1 1 7 PRO CG C -6.480 0.793 3.180 1.00 . A A . 7 PRO CG 1 1 5 1457 1 1 7 PRO HA H -3.846 1.629 2.283 1.00 . A A . 7 PRO HA 1 1 5 1458 1 1 7 PRO HB2 H -5.220 -0.908 3.016 1.00 . A A . 7 PRO HB2 1 1 5 1459 1 1 7 PRO HB3 H -4.593 0.374 4.065 1.00 . A A . 7 PRO HB3 1 1 5 1460 1 1 7 PRO HD2 H -7.315 0.084 1.358 1.00 . A A . 7 PRO HD2 1 1 5 1461 1 1 7 PRO HD3 H -7.496 1.828 1.636 1.00 . A A . 7 PRO HD3 1 1 5 1462 1 1 7 PRO HG2 H -7.192 0.148 3.674 1.00 . A A . 7 PRO HG2 1 1 5 1463 1 1 7 PRO HG3 H -6.429 1.750 3.678 1.00 . A A . 7 PRO HG3 1 1 5 1464 1 1 7 PRO N N -5.545 1.213 1.089 1.00 . A A . 7 PRO N 1 1 5 1465 1 1 7 PRO O O -2.349 -0.372 1.606 1.00 . A A . 7 PRO O 1 1 5 1466 1 1 8 ARG C C -2.359 -1.152 -1.361 1.00 . A A . 8 ARG C 1 1 5 1467 1 1 8 ARG CA C -3.333 -1.938 -0.467 1.00 . A A . 8 ARG CA 1 1 5 1468 1 1 8 ARG CB C -4.255 -2.789 -1.348 1.00 . A A . 8 ARG CB 1 1 5 1469 1 1 8 ARG CD C -4.663 -4.821 0.156 1.00 . A A . 8 ARG CD 1 1 5 1470 1 1 8 ARG CG C -5.284 -3.673 -0.636 1.00 . A A . 8 ARG CG 1 1 5 1471 1 1 8 ARG CZ C -3.118 -5.049 2.101 1.00 . A A . 8 ARG CZ 1 1 5 1472 1 1 8 ARG H H -5.060 -0.868 0.172 1.00 . A A . 8 ARG H 1 1 5 1473 1 1 8 ARG HA H -2.775 -2.573 0.207 1.00 . A A . 8 ARG HA 1 1 5 1474 1 1 8 ARG HB2 H -4.819 -2.107 -1.964 1.00 . A A . 8 ARG HB2 1 1 5 1475 1 1 8 ARG HB3 H -3.645 -3.412 -1.985 1.00 . A A . 8 ARG HB3 1 1 5 1476 1 1 8 ARG HD2 H -5.430 -5.555 0.356 1.00 . A A . 8 ARG HD2 1 1 5 1477 1 1 8 ARG HD3 H -3.891 -5.274 -0.447 1.00 . A A . 8 ARG HD3 1 1 5 1478 1 1 8 ARG HE H -4.509 -3.596 1.822 1.00 . A A . 8 ARG HE 1 1 5 1479 1 1 8 ARG HG2 H -5.846 -3.058 0.051 1.00 . A A . 8 ARG HG2 1 1 5 1480 1 1 8 ARG HG3 H -5.957 -4.075 -1.379 1.00 . A A . 8 ARG HG3 1 1 5 1481 1 1 8 ARG HH11 H -2.741 -6.463 0.648 1.00 . A A . 8 ARG HH11 1 1 5 1482 1 1 8 ARG HH12 H -1.798 -6.616 2.046 1.00 . A A . 8 ARG HH12 1 1 5 1483 1 1 8 ARG HH21 H -3.177 -3.857 3.762 1.00 . A A . 8 ARG HH21 1 1 5 1484 1 1 8 ARG HH22 H -2.047 -5.107 3.844 1.00 . A A . 8 ARG HH22 1 1 5 1485 1 1 8 ARG N N -4.100 -0.989 0.329 1.00 . A A . 8 ARG N 1 1 5 1486 1 1 8 ARG NE N -4.084 -4.394 1.433 1.00 . A A . 8 ARG NE 1 1 5 1487 1 1 8 ARG NH1 N -2.515 -6.105 1.559 1.00 . A A . 8 ARG NH1 1 1 5 1488 1 1 8 ARG NH2 N -2.758 -4.645 3.305 1.00 . A A . 8 ARG NH2 1 1 5 1489 1 1 8 ARG O O -1.174 -1.451 -1.417 1.00 . A A . 8 ARG O 1 1 5 1490 1 1 9 ILE C C -1.032 1.492 -1.999 1.00 . A A . 9 ILE C 1 1 5 1491 1 1 9 ILE CA C -2.088 0.804 -2.867 1.00 . A A . 9 ILE CA 1 1 5 1492 1 1 9 ILE CB C -3.008 1.887 -3.521 1.00 . A A . 9 ILE CB 1 1 5 1493 1 1 9 ILE CD1 C -4.992 2.199 -5.115 1.00 . A A . 9 ILE CD1 1 1 5 1494 1 1 9 ILE CG1 C -3.991 1.236 -4.507 1.00 . A A . 9 ILE CG1 1 1 5 1495 1 1 9 ILE CG2 C -2.195 2.997 -4.195 1.00 . A A . 9 ILE CG2 1 1 5 1496 1 1 9 ILE H H -3.855 0.034 -1.965 1.00 . A A . 9 ILE H 1 1 5 1497 1 1 9 ILE HA H -1.600 0.231 -3.642 1.00 . A A . 9 ILE HA 1 1 5 1498 1 1 9 ILE HB H -3.575 2.346 -2.724 1.00 . A A . 9 ILE HB 1 1 5 1499 1 1 9 ILE HD11 H -4.463 2.972 -5.651 1.00 . A A . 9 ILE HD11 1 1 5 1500 1 1 9 ILE HD12 H -5.586 2.647 -4.331 1.00 . A A . 9 ILE HD12 1 1 5 1501 1 1 9 ILE HD13 H -5.638 1.667 -5.796 1.00 . A A . 9 ILE HD13 1 1 5 1502 1 1 9 ILE HG12 H -3.436 0.788 -5.318 1.00 . A A . 9 ILE HG12 1 1 5 1503 1 1 9 ILE HG13 H -4.542 0.464 -3.989 1.00 . A A . 9 ILE HG13 1 1 5 1504 1 1 9 ILE HG21 H -1.610 3.514 -3.448 1.00 . A A . 9 ILE HG21 1 1 5 1505 1 1 9 ILE HG22 H -2.859 3.694 -4.685 1.00 . A A . 9 ILE HG22 1 1 5 1506 1 1 9 ILE HG23 H -1.530 2.559 -4.924 1.00 . A A . 9 ILE HG23 1 1 5 1507 1 1 9 ILE N N -2.887 -0.117 -2.029 1.00 . A A . 9 ILE N 1 1 5 1508 1 1 9 ILE O O 0.130 1.669 -2.399 1.00 . A A . 9 ILE O 1 1 5 1509 1 1 10 LYS C C 0.553 1.548 0.549 1.00 . A A . 10 LYS C 1 1 5 1510 1 1 10 LYS CA C -0.621 2.467 0.199 1.00 . A A . 10 LYS CA 1 1 5 1511 1 1 10 LYS CB C -1.465 2.742 1.452 1.00 . A A . 10 LYS CB 1 1 5 1512 1 1 10 LYS CD C -1.613 3.609 3.797 1.00 . A A . 10 LYS CD 1 1 5 1513 1 1 10 LYS CE C -0.983 4.520 4.843 1.00 . A A . 10 LYS CE 1 1 5 1514 1 1 10 LYS CG C -0.764 3.522 2.543 1.00 . A A . 10 LYS CG 1 1 5 1515 1 1 10 LYS H H -2.402 1.673 -0.597 1.00 . A A . 10 LYS H 1 1 5 1516 1 1 10 LYS HA H -0.250 3.404 -0.189 1.00 . A A . 10 LYS HA 1 1 5 1517 1 1 10 LYS HB2 H -2.347 3.293 1.162 1.00 . A A . 10 LYS HB2 1 1 5 1518 1 1 10 LYS HB3 H -1.771 1.791 1.861 1.00 . A A . 10 LYS HB3 1 1 5 1519 1 1 10 LYS HD2 H -2.586 3.998 3.535 1.00 . A A . 10 LYS HD2 1 1 5 1520 1 1 10 LYS HD3 H -1.722 2.618 4.214 1.00 . A A . 10 LYS HD3 1 1 5 1521 1 1 10 LYS HE2 H -0.975 5.530 4.465 1.00 . A A . 10 LYS HE2 1 1 5 1522 1 1 10 LYS HE3 H -1.595 4.488 5.731 1.00 . A A . 10 LYS HE3 1 1 5 1523 1 1 10 LYS HG2 H 0.151 3.004 2.788 1.00 . A A . 10 LYS HG2 1 1 5 1524 1 1 10 LYS HG3 H -0.543 4.517 2.189 1.00 . A A . 10 LYS HG3 1 1 5 1525 1 1 10 LYS HZ1 H 0.456 3.163 5.576 1.00 . A A . 10 LYS HZ1 1 1 5 1526 1 1 10 LYS HZ2 H 0.764 4.772 5.935 1.00 . A A . 10 LYS HZ2 1 1 5 1527 1 1 10 LYS HZ3 H 1.050 4.217 4.384 1.00 . A A . 10 LYS HZ3 1 1 5 1528 1 1 10 LYS N N -1.455 1.839 -0.801 1.00 . A A . 10 LYS N 1 1 5 1529 1 1 10 LYS NZ N 0.406 4.130 5.198 1.00 . A A . 10 LYS NZ 1 1 5 1530 1 1 10 LYS O O 1.662 2.015 0.782 1.00 . A A . 10 LYS O 1 1 5 1531 1 1 11 LYS C C 2.230 -0.973 -0.328 1.00 . A A . 11 LYS C 1 1 5 1532 1 1 11 LYS CA C 1.321 -0.727 0.875 1.00 . A A . 11 LYS CA 1 1 5 1533 1 1 11 LYS CB C 0.722 -2.047 1.377 1.00 . A A . 11 LYS CB 1 1 5 1534 1 1 11 LYS CD C 1.180 -4.380 2.226 1.00 . A A . 11 LYS CD 1 1 5 1535 1 1 11 LYS CE C 2.272 -5.411 2.472 1.00 . A A . 11 LYS CE 1 1 5 1536 1 1 11 LYS CG C 1.780 -3.072 1.763 1.00 . A A . 11 LYS CG 1 1 5 1537 1 1 11 LYS H H -0.608 -0.068 0.352 1.00 . A A . 11 LYS H 1 1 5 1538 1 1 11 LYS HA H 1.911 -0.292 1.668 1.00 . A A . 11 LYS HA 1 1 5 1539 1 1 11 LYS HB2 H 0.106 -1.849 2.241 1.00 . A A . 11 LYS HB2 1 1 5 1540 1 1 11 LYS HB3 H 0.109 -2.472 0.596 1.00 . A A . 11 LYS HB3 1 1 5 1541 1 1 11 LYS HD2 H 0.638 -4.212 3.144 1.00 . A A . 11 LYS HD2 1 1 5 1542 1 1 11 LYS HD3 H 0.508 -4.752 1.467 1.00 . A A . 11 LYS HD3 1 1 5 1543 1 1 11 LYS HE2 H 1.819 -6.348 2.760 1.00 . A A . 11 LYS HE2 1 1 5 1544 1 1 11 LYS HE3 H 2.816 -5.553 1.552 1.00 . A A . 11 LYS HE3 1 1 5 1545 1 1 11 LYS HG2 H 2.409 -3.263 0.906 1.00 . A A . 11 LYS HG2 1 1 5 1546 1 1 11 LYS HG3 H 2.384 -2.659 2.558 1.00 . A A . 11 LYS HG3 1 1 5 1547 1 1 11 LYS HZ1 H 2.734 -4.885 4.443 1.00 . A A . 11 LYS HZ1 1 1 5 1548 1 1 11 LYS HZ2 H 3.670 -4.082 3.307 1.00 . A A . 11 LYS HZ2 1 1 5 1549 1 1 11 LYS HZ3 H 3.986 -5.685 3.655 1.00 . A A . 11 LYS HZ3 1 1 5 1550 1 1 11 LYS N N 0.298 0.244 0.561 1.00 . A A . 11 LYS N 1 1 5 1551 1 1 11 LYS NZ N 3.221 -4.992 3.531 1.00 . A A . 11 LYS NZ 1 1 5 1552 1 1 11 LYS O O 3.417 -1.237 -0.164 1.00 . A A . 11 LYS O 1 1 5 1553 1 1 12 LYS C C 3.635 -0.087 -2.781 1.00 . A A . 12 LYS C 1 1 5 1554 1 1 12 LYS CA C 2.453 -1.038 -2.775 1.00 . A A . 12 LYS CA 1 1 5 1555 1 1 12 LYS CB C 1.602 -0.763 -4.032 1.00 . A A . 12 LYS CB 1 1 5 1556 1 1 12 LYS CD C 0.839 -3.133 -4.381 1.00 . A A . 12 LYS CD 1 1 5 1557 1 1 12 LYS CE C -0.349 -4.022 -4.682 1.00 . A A . 12 LYS CE 1 1 5 1558 1 1 12 LYS CG C 0.414 -1.686 -4.245 1.00 . A A . 12 LYS CG 1 1 5 1559 1 1 12 LYS H H 0.710 -0.678 -1.589 1.00 . A A . 12 LYS H 1 1 5 1560 1 1 12 LYS HA H 2.817 -2.053 -2.807 1.00 . A A . 12 LYS HA 1 1 5 1561 1 1 12 LYS HB2 H 1.226 0.248 -3.970 1.00 . A A . 12 LYS HB2 1 1 5 1562 1 1 12 LYS HB3 H 2.247 -0.832 -4.895 1.00 . A A . 12 LYS HB3 1 1 5 1563 1 1 12 LYS HD2 H 1.552 -3.215 -5.189 1.00 . A A . 12 LYS HD2 1 1 5 1564 1 1 12 LYS HD3 H 1.298 -3.457 -3.460 1.00 . A A . 12 LYS HD3 1 1 5 1565 1 1 12 LYS HE2 H -1.111 -3.842 -3.939 1.00 . A A . 12 LYS HE2 1 1 5 1566 1 1 12 LYS HE3 H -0.732 -3.762 -5.657 1.00 . A A . 12 LYS HE3 1 1 5 1567 1 1 12 LYS HG2 H -0.249 -1.602 -3.397 1.00 . A A . 12 LYS HG2 1 1 5 1568 1 1 12 LYS HG3 H -0.108 -1.385 -5.142 1.00 . A A . 12 LYS HG3 1 1 5 1569 1 1 12 LYS HZ1 H 0.310 -5.740 -3.719 1.00 . A A . 12 LYS HZ1 1 1 5 1570 1 1 12 LYS HZ2 H 0.791 -5.663 -5.325 1.00 . A A . 12 LYS HZ2 1 1 5 1571 1 1 12 LYS HZ3 H -0.814 -6.032 -4.932 1.00 . A A . 12 LYS HZ3 1 1 5 1572 1 1 12 LYS N N 1.673 -0.864 -1.537 1.00 . A A . 12 LYS N 1 1 5 1573 1 1 12 LYS NZ N 0.010 -5.453 -4.671 1.00 . A A . 12 LYS NZ 1 1 5 1574 1 1 12 LYS O O 4.781 -0.485 -3.015 1.00 . A A . 12 LYS O 1 1 5 1575 1 1 13 ILE C C 5.145 2.172 -1.128 1.00 . A A . 13 ILE C 1 1 5 1576 1 1 13 ILE CA C 4.366 2.181 -2.449 1.00 . A A . 13 ILE CA 1 1 5 1577 1 1 13 ILE CB C 3.768 3.578 -2.744 1.00 . A A . 13 ILE CB 1 1 5 1578 1 1 13 ILE CD1 C 2.051 5.313 -1.950 1.00 . A A . 13 ILE CD1 1 1 5 1579 1 1 13 ILE CG1 C 2.662 3.941 -1.736 1.00 . A A . 13 ILE CG1 1 1 5 1580 1 1 13 ILE CG2 C 3.231 3.613 -4.168 1.00 . A A . 13 ILE CG2 1 1 5 1581 1 1 13 ILE H H 2.418 1.379 -2.272 1.00 . A A . 13 ILE H 1 1 5 1582 1 1 13 ILE HA H 5.065 1.938 -3.236 1.00 . A A . 13 ILE HA 1 1 5 1583 1 1 13 ILE HB H 4.566 4.302 -2.677 1.00 . A A . 13 ILE HB 1 1 5 1584 1 1 13 ILE HD11 H 1.269 5.478 -1.224 1.00 . A A . 13 ILE HD11 1 1 5 1585 1 1 13 ILE HD12 H 1.635 5.372 -2.946 1.00 . A A . 13 ILE HD12 1 1 5 1586 1 1 13 ILE HD13 H 2.814 6.068 -1.834 1.00 . A A . 13 ILE HD13 1 1 5 1587 1 1 13 ILE HG12 H 1.866 3.216 -1.810 1.00 . A A . 13 ILE HG12 1 1 5 1588 1 1 13 ILE HG13 H 3.072 3.909 -0.737 1.00 . A A . 13 ILE HG13 1 1 5 1589 1 1 13 ILE HG21 H 4.036 3.418 -4.859 1.00 . A A . 13 ILE HG21 1 1 5 1590 1 1 13 ILE HG22 H 2.804 4.584 -4.370 1.00 . A A . 13 ILE HG22 1 1 5 1591 1 1 13 ILE HG23 H 2.469 2.854 -4.278 1.00 . A A . 13 ILE HG23 1 1 5 1592 1 1 13 ILE N N 3.352 1.153 -2.474 1.00 . A A . 13 ILE N 1 1 5 1593 1 1 13 ILE O O 6.285 2.633 -1.061 1.00 . A A . 13 ILE O 1 1 5 1594 1 1 14 LEU C C 6.285 0.461 1.132 1.00 . A A . 14 LEU C 1 1 5 1595 1 1 14 LEU CA C 5.175 1.481 1.216 1.00 . A A . 14 LEU CA 1 1 5 1596 1 1 14 LEU CB C 4.157 1.024 2.258 1.00 . A A . 14 LEU CB 1 1 5 1597 1 1 14 LEU CD1 C 5.105 2.219 4.270 1.00 . A A . 14 LEU CD1 1 1 5 1598 1 1 14 LEU CD2 C 3.541 0.280 4.559 1.00 . A A . 14 LEU CD2 1 1 5 1599 1 1 14 LEU CG C 4.642 0.881 3.703 1.00 . A A . 14 LEU CG 1 1 5 1600 1 1 14 LEU H H 3.627 1.270 -0.212 1.00 . A A . 14 LEU H 1 1 5 1601 1 1 14 LEU HA H 5.576 2.441 1.504 1.00 . A A . 14 LEU HA 1 1 5 1602 1 1 14 LEU HB2 H 3.312 1.695 2.244 1.00 . A A . 14 LEU HB2 1 1 5 1603 1 1 14 LEU HB3 H 3.818 0.052 1.935 1.00 . A A . 14 LEU HB3 1 1 5 1604 1 1 14 LEU HD11 H 5.440 2.077 5.287 1.00 . A A . 14 LEU HD11 1 1 5 1605 1 1 14 LEU HD12 H 4.286 2.921 4.261 1.00 . A A . 14 LEU HD12 1 1 5 1606 1 1 14 LEU HD13 H 5.920 2.603 3.675 1.00 . A A . 14 LEU HD13 1 1 5 1607 1 1 14 LEU HD21 H 2.665 0.909 4.508 1.00 . A A . 14 LEU HD21 1 1 5 1608 1 1 14 LEU HD22 H 3.874 0.215 5.585 1.00 . A A . 14 LEU HD22 1 1 5 1609 1 1 14 LEU HD23 H 3.296 -0.707 4.195 1.00 . A A . 14 LEU HD23 1 1 5 1610 1 1 14 LEU HG H 5.484 0.206 3.718 1.00 . A A . 14 LEU HG 1 1 5 1611 1 1 14 LEU N N 4.539 1.608 -0.093 1.00 . A A . 14 LEU N 1 1 5 1612 1 1 14 LEU O O 7.330 0.618 1.738 1.00 . A A . 14 LEU O 1 1 5 1613 1 1 15 ALA C C 8.216 -1.154 -0.620 1.00 . A A . 15 ALA C 1 1 5 1614 1 1 15 ALA CA C 7.008 -1.647 0.160 1.00 . A A . 15 ALA CA 1 1 5 1615 1 1 15 ALA CB C 6.355 -2.816 -0.550 1.00 . A A . 15 ALA CB 1 1 5 1616 1 1 15 ALA H H 5.163 -0.658 -0.069 1.00 . A A . 15 ALA H 1 1 5 1617 1 1 15 ALA HA H 7.337 -1.983 1.130 1.00 . A A . 15 ALA HA 1 1 5 1618 1 1 15 ALA HB1 H 7.062 -3.628 -0.635 1.00 . A A . 15 ALA HB1 1 1 5 1619 1 1 15 ALA HB2 H 6.046 -2.500 -1.535 1.00 . A A . 15 ALA HB2 1 1 5 1620 1 1 15 ALA HB3 H 5.491 -3.143 0.008 1.00 . A A . 15 ALA HB3 1 1 5 1621 1 1 15 ALA N N 6.045 -0.582 0.362 1.00 . A A . 15 ALA N 1 1 5 1622 1 1 15 ALA O O 9.287 -1.759 -0.573 1.00 . A A . 15 ALA O 1 1 5 1623 1 1 16 ALA C C 9.857 1.555 -1.256 1.00 . A A . 16 ALA C 1 1 5 1624 1 1 16 ALA CA C 9.092 0.530 -2.098 1.00 . A A . 16 ALA CA 1 1 5 1625 1 1 16 ALA CB C 8.533 1.173 -3.351 1.00 . A A . 16 ALA CB 1 1 5 1626 1 1 16 ALA H H 7.138 0.336 -1.345 1.00 . A A . 16 ALA H 1 1 5 1627 1 1 16 ALA HA H 9.770 -0.256 -2.393 1.00 . A A . 16 ALA HA 1 1 5 1628 1 1 16 ALA HB1 H 7.859 1.970 -3.075 1.00 . A A . 16 ALA HB1 1 1 5 1629 1 1 16 ALA HB2 H 7.995 0.431 -3.922 1.00 . A A . 16 ALA HB2 1 1 5 1630 1 1 16 ALA HB3 H 9.340 1.572 -3.946 1.00 . A A . 16 ALA HB3 1 1 5 1631 1 1 16 ALA N N 8.030 -0.069 -1.335 1.00 . A A . 16 ALA N 1 1 5 1632 1 1 16 ALA O O 11.073 1.451 -1.096 1.00 . A A . 16 ALA O 1 1 5 1633 1 1 17 ALA C C 10.332 3.136 1.397 1.00 . A A . 17 ALA C 1 1 5 1634 1 1 17 ALA CA C 9.728 3.610 0.081 1.00 . A A . 17 ALA CA 1 1 5 1635 1 1 17 ALA CB C 8.701 4.700 0.341 1.00 . A A . 17 ALA CB 1 1 5 1636 1 1 17 ALA H H 8.153 2.507 -0.819 1.00 . A A . 17 ALA H 1 1 5 1637 1 1 17 ALA HA H 10.517 4.038 -0.517 1.00 . A A . 17 ALA HA 1 1 5 1638 1 1 17 ALA HB1 H 9.176 5.532 0.838 1.00 . A A . 17 ALA HB1 1 1 5 1639 1 1 17 ALA HB2 H 7.909 4.309 0.963 1.00 . A A . 17 ALA HB2 1 1 5 1640 1 1 17 ALA HB3 H 8.287 5.033 -0.600 1.00 . A A . 17 ALA HB3 1 1 5 1641 1 1 17 ALA N N 9.129 2.518 -0.693 1.00 . A A . 17 ALA N 1 1 5 1642 1 1 17 ALA O O 11.351 3.663 1.849 1.00 . A A . 17 ALA O 1 1 5 1643 1 1 18 PHE C C 10.684 0.227 2.985 1.00 . A A . 18 PHE C 1 1 5 1644 1 1 18 PHE CA C 10.162 1.628 3.269 1.00 . A A . 18 PHE CA 1 1 5 1645 1 1 18 PHE CB C 8.968 1.603 4.253 1.00 . A A . 18 PHE CB 1 1 5 1646 1 1 18 PHE CD1 C 9.434 -0.035 6.114 1.00 . A A . 18 PHE CD1 1 1 5 1647 1 1 18 PHE CD2 C 9.413 2.288 6.624 1.00 . A A . 18 PHE CD2 1 1 5 1648 1 1 18 PHE CE1 C 9.703 -0.327 7.433 1.00 . A A . 18 PHE CE1 1 1 5 1649 1 1 18 PHE CE2 C 9.685 2.002 7.947 1.00 . A A . 18 PHE CE2 1 1 5 1650 1 1 18 PHE CG C 9.288 1.275 5.691 1.00 . A A . 18 PHE CG 1 1 5 1651 1 1 18 PHE CZ C 9.830 0.694 8.352 1.00 . A A . 18 PHE CZ 1 1 5 1652 1 1 18 PHE H H 8.928 1.741 1.589 1.00 . A A . 18 PHE H 1 1 5 1653 1 1 18 PHE HA H 10.955 2.250 3.656 1.00 . A A . 18 PHE HA 1 1 5 1654 1 1 18 PHE HB2 H 8.499 2.575 4.248 1.00 . A A . 18 PHE HB2 1 1 5 1655 1 1 18 PHE HB3 H 8.247 0.882 3.896 1.00 . A A . 18 PHE HB3 1 1 5 1656 1 1 18 PHE HD1 H 9.342 -0.837 5.398 1.00 . A A . 18 PHE HD1 1 1 5 1657 1 1 18 PHE HD2 H 9.300 3.316 6.312 1.00 . A A . 18 PHE HD2 1 1 5 1658 1 1 18 PHE HE1 H 9.813 -1.354 7.746 1.00 . A A . 18 PHE HE1 1 1 5 1659 1 1 18 PHE HE2 H 9.786 2.806 8.662 1.00 . A A . 18 PHE HE2 1 1 5 1660 1 1 18 PHE HZ H 10.043 0.467 9.387 1.00 . A A . 18 PHE HZ 1 1 5 1661 1 1 18 PHE N N 9.712 2.165 2.005 1.00 . A A . 18 PHE N 1 1 5 1662 1 1 18 PHE O O 10.113 -0.481 2.154 1.00 . A A . 18 PHE O 1 1 5 1663 1 1 19 LYS C C 12.027 -2.438 4.442 1.00 . A A . 19 LYS C 1 1 5 1664 1 1 19 LYS CA C 12.348 -1.453 3.339 1.00 . A A . 19 LYS CA 1 1 5 1665 1 1 19 LYS CB C 13.868 -1.328 3.152 1.00 . A A . 19 LYS CB 1 1 5 1666 1 1 19 LYS CD C 13.675 -0.561 0.743 1.00 . A A . 19 LYS CD 1 1 5 1667 1 1 19 LYS CE C 14.134 0.472 -0.272 1.00 . A A . 19 LYS CE 1 1 5 1668 1 1 19 LYS CG C 14.296 -0.298 2.110 1.00 . A A . 19 LYS CG 1 1 5 1669 1 1 19 LYS H H 12.143 0.387 4.333 1.00 . A A . 19 LYS H 1 1 5 1670 1 1 19 LYS HA H 11.913 -1.818 2.421 1.00 . A A . 19 LYS HA 1 1 5 1671 1 1 19 LYS HB2 H 14.309 -1.049 4.098 1.00 . A A . 19 LYS HB2 1 1 5 1672 1 1 19 LYS HB3 H 14.260 -2.291 2.858 1.00 . A A . 19 LYS HB3 1 1 5 1673 1 1 19 LYS HD2 H 13.970 -1.543 0.405 1.00 . A A . 19 LYS HD2 1 1 5 1674 1 1 19 LYS HD3 H 12.600 -0.515 0.828 1.00 . A A . 19 LYS HD3 1 1 5 1675 1 1 19 LYS HE2 H 13.885 1.456 0.098 1.00 . A A . 19 LYS HE2 1 1 5 1676 1 1 19 LYS HE3 H 15.204 0.397 -0.391 1.00 . A A . 19 LYS HE3 1 1 5 1677 1 1 19 LYS HG2 H 13.986 0.681 2.444 1.00 . A A . 19 LYS HG2 1 1 5 1678 1 1 19 LYS HG3 H 15.372 -0.324 2.023 1.00 . A A . 19 LYS HG3 1 1 5 1679 1 1 19 LYS HZ1 H 13.913 0.929 -2.287 1.00 . A A . 19 LYS HZ1 1 1 5 1680 1 1 19 LYS HZ2 H 12.477 0.517 -1.509 1.00 . A A . 19 LYS HZ2 1 1 5 1681 1 1 19 LYS HZ3 H 13.575 -0.689 -1.916 1.00 . A A . 19 LYS HZ3 1 1 5 1682 1 1 19 LYS N N 11.751 -0.169 3.626 1.00 . A A . 19 LYS N 1 1 5 1683 1 1 19 LYS NZ N 13.492 0.292 -1.581 1.00 . A A . 19 LYS NZ 1 1 5 1684 1 1 19 LYS O O 11.021 -3.168 4.325 1.00 . A A . 19 LYS O 1 1 5 1685 1 1 19 LYS OXT O 12.768 -2.489 5.444 1.00 . A A . 19 LYS OXT 1 1 6 1686 1 1 1 PRO C C -14.779 3.225 4.042 1.00 . A A . 1 PRO C 1 1 6 1687 1 1 1 PRO CA C -16.072 3.015 4.754 1.00 . A A . 1 PRO CA 1 1 6 1688 1 1 1 PRO CB C -16.790 1.779 4.223 1.00 . A A . 1 PRO CB 1 1 6 1689 1 1 1 PRO CD C -17.996 3.753 3.583 1.00 . A A . 1 PRO CD 1 1 6 1690 1 1 1 PRO CG C -18.157 2.278 3.878 1.00 . A A . 1 PRO CG 1 1 6 1691 1 1 1 PRO H2 H -17.842 4.078 4.909 1.00 . A A . 1 PRO H2 1 1 6 1692 1 1 1 PRO H3 H -16.817 4.504 3.531 1.00 . A A . 1 PRO H3 1 1 6 1693 1 1 1 PRO HA H -15.897 2.910 5.813 1.00 . A A . 1 PRO HA 1 1 6 1694 1 1 1 PRO HB2 H -16.267 1.408 3.353 1.00 . A A . 1 PRO HB2 1 1 6 1695 1 1 1 PRO HB3 H -16.829 1.011 4.980 1.00 . A A . 1 PRO HB3 1 1 6 1696 1 1 1 PRO HD2 H -17.756 3.832 2.532 1.00 . A A . 1 PRO HD2 1 1 6 1697 1 1 1 PRO HD3 H -18.917 4.291 3.761 1.00 . A A . 1 PRO HD3 1 1 6 1698 1 1 1 PRO HG2 H -18.529 1.757 3.008 1.00 . A A . 1 PRO HG2 1 1 6 1699 1 1 1 PRO HG3 H -18.825 2.131 4.715 1.00 . A A . 1 PRO HG3 1 1 6 1700 1 1 1 PRO N N -16.888 4.165 4.510 1.00 . A A . 1 PRO N 1 1 6 1701 1 1 1 PRO O O -14.710 4.048 3.146 1.00 . A A . 1 PRO O 1 1 6 1702 1 1 2 MET C C -12.452 1.803 2.550 1.00 . A A . 2 MET C 1 1 6 1703 1 1 2 MET CA C -12.507 2.674 3.775 1.00 . A A . 2 MET CA 1 1 6 1704 1 1 2 MET CB C -11.367 2.379 4.729 1.00 . A A . 2 MET CB 1 1 6 1705 1 1 2 MET CE C -10.847 6.032 6.671 1.00 . A A . 2 MET CE 1 1 6 1706 1 1 2 MET CG C -11.246 3.416 5.823 1.00 . A A . 2 MET CG 1 1 6 1707 1 1 2 MET H H -13.815 1.928 5.201 1.00 . A A . 2 MET H 1 1 6 1708 1 1 2 MET HA H -12.431 3.705 3.462 1.00 . A A . 2 MET HA 1 1 6 1709 1 1 2 MET HB2 H -11.539 1.414 5.183 1.00 . A A . 2 MET HB2 1 1 6 1710 1 1 2 MET HB3 H -10.438 2.349 4.182 1.00 . A A . 2 MET HB3 1 1 6 1711 1 1 2 MET HE1 H -10.092 5.655 7.343 1.00 . A A . 2 MET HE1 1 1 6 1712 1 1 2 MET HE2 H -11.816 5.965 7.144 1.00 . A A . 2 MET HE2 1 1 6 1713 1 1 2 MET HE3 H -10.633 7.064 6.431 1.00 . A A . 2 MET HE3 1 1 6 1714 1 1 2 MET HG2 H -12.193 3.470 6.340 1.00 . A A . 2 MET HG2 1 1 6 1715 1 1 2 MET HG3 H -10.482 3.104 6.514 1.00 . A A . 2 MET HG3 1 1 6 1716 1 1 2 MET N N -13.759 2.541 4.436 1.00 . A A . 2 MET N 1 1 6 1717 1 1 2 MET O O -12.814 0.623 2.596 1.00 . A A . 2 MET O 1 1 6 1718 1 1 2 MET SD S -10.846 5.055 5.169 1.00 . A A . 2 MET SD 1 1 6 1719 1 1 3 ALA C C -10.707 0.786 0.339 1.00 . A A . 3 ALA C 1 1 6 1720 1 1 3 ALA CA C -11.911 1.693 0.201 1.00 . A A . 3 ALA CA 1 1 6 1721 1 1 3 ALA CB C -11.723 2.681 -0.942 1.00 . A A . 3 ALA CB 1 1 6 1722 1 1 3 ALA H H -11.904 3.368 1.474 1.00 . A A . 3 ALA H 1 1 6 1723 1 1 3 ALA HA H -12.796 1.100 0.023 1.00 . A A . 3 ALA HA 1 1 6 1724 1 1 3 ALA HB1 H -10.866 3.305 -0.735 1.00 . A A . 3 ALA HB1 1 1 6 1725 1 1 3 ALA HB2 H -12.603 3.299 -1.036 1.00 . A A . 3 ALA HB2 1 1 6 1726 1 1 3 ALA HB3 H -11.561 2.150 -1.868 1.00 . A A . 3 ALA HB3 1 1 6 1727 1 1 3 ALA N N -12.077 2.403 1.445 1.00 . A A . 3 ALA N 1 1 6 1728 1 1 3 ALA O O -9.580 1.269 0.466 1.00 . A A . 3 ALA O 1 1 6 1729 1 1 4 LYS C C -8.824 -1.582 -0.427 1.00 . A A . 4 LYS C 1 1 6 1730 1 1 4 LYS CA C -9.967 -1.538 0.590 1.00 . A A . 4 LYS CA 1 1 6 1731 1 1 4 LYS CB C -10.686 -2.858 0.674 1.00 . A A . 4 LYS CB 1 1 6 1732 1 1 4 LYS CD C -12.603 -4.066 1.699 1.00 . A A . 4 LYS CD 1 1 6 1733 1 1 4 LYS CE C -13.570 -4.115 2.871 1.00 . A A . 4 LYS CE 1 1 6 1734 1 1 4 LYS CG C -11.735 -2.853 1.770 1.00 . A A . 4 LYS CG 1 1 6 1735 1 1 4 LYS H H -11.863 -0.851 0.176 1.00 . A A . 4 LYS H 1 1 6 1736 1 1 4 LYS HA H -9.544 -1.343 1.563 1.00 . A A . 4 LYS HA 1 1 6 1737 1 1 4 LYS HB2 H -11.166 -3.057 -0.273 1.00 . A A . 4 LYS HB2 1 1 6 1738 1 1 4 LYS HB3 H -9.974 -3.641 0.889 1.00 . A A . 4 LYS HB3 1 1 6 1739 1 1 4 LYS HD2 H -13.155 -4.037 0.771 1.00 . A A . 4 LYS HD2 1 1 6 1740 1 1 4 LYS HD3 H -11.939 -4.910 1.709 1.00 . A A . 4 LYS HD3 1 1 6 1741 1 1 4 LYS HE2 H -13.002 -4.124 3.790 1.00 . A A . 4 LYS HE2 1 1 6 1742 1 1 4 LYS HE3 H -14.185 -3.230 2.843 1.00 . A A . 4 LYS HE3 1 1 6 1743 1 1 4 LYS HG2 H -11.237 -2.836 2.727 1.00 . A A . 4 LYS HG2 1 1 6 1744 1 1 4 LYS HG3 H -12.347 -1.969 1.669 1.00 . A A . 4 LYS HG3 1 1 6 1745 1 1 4 LYS HZ1 H -15.112 -5.265 3.635 1.00 . A A . 4 LYS HZ1 1 1 6 1746 1 1 4 LYS HZ2 H -13.893 -6.185 2.938 1.00 . A A . 4 LYS HZ2 1 1 6 1747 1 1 4 LYS HZ3 H -14.993 -5.346 1.960 1.00 . A A . 4 LYS HZ3 1 1 6 1748 1 1 4 LYS N N -10.954 -0.513 0.335 1.00 . A A . 4 LYS N 1 1 6 1749 1 1 4 LYS NZ N -14.440 -5.308 2.840 1.00 . A A . 4 LYS NZ 1 1 6 1750 1 1 4 LYS O O -7.757 -2.133 -0.134 1.00 . A A . 4 LYS O 1 1 6 1751 1 1 5 LEU C C -6.893 0.071 -2.194 1.00 . A A . 5 LEU C 1 1 6 1752 1 1 5 LEU CA C -7.965 -0.935 -2.595 1.00 . A A . 5 LEU CA 1 1 6 1753 1 1 5 LEU CB C -8.526 -0.584 -3.977 1.00 . A A . 5 LEU CB 1 1 6 1754 1 1 5 LEU CD1 C -9.999 -1.099 -5.929 1.00 . A A . 5 LEU CD1 1 1 6 1755 1 1 5 LEU CD2 C -8.692 -2.922 -4.863 1.00 . A A . 5 LEU CD2 1 1 6 1756 1 1 5 LEU CG C -9.445 -1.624 -4.622 1.00 . A A . 5 LEU CG 1 1 6 1757 1 1 5 LEU H H -9.909 -0.621 -1.790 1.00 . A A . 5 LEU H 1 1 6 1758 1 1 5 LEU HA H -7.507 -1.911 -2.643 1.00 . A A . 5 LEU HA 1 1 6 1759 1 1 5 LEU HB2 H -9.079 0.339 -3.885 1.00 . A A . 5 LEU HB2 1 1 6 1760 1 1 5 LEU HB3 H -7.692 -0.413 -4.642 1.00 . A A . 5 LEU HB3 1 1 6 1761 1 1 5 LEU HD11 H -10.648 -1.842 -6.370 1.00 . A A . 5 LEU HD11 1 1 6 1762 1 1 5 LEU HD12 H -9.185 -0.883 -6.606 1.00 . A A . 5 LEU HD12 1 1 6 1763 1 1 5 LEU HD13 H -10.562 -0.196 -5.743 1.00 . A A . 5 LEU HD13 1 1 6 1764 1 1 5 LEU HD21 H -9.349 -3.622 -5.357 1.00 . A A . 5 LEU HD21 1 1 6 1765 1 1 5 LEU HD22 H -8.379 -3.343 -3.918 1.00 . A A . 5 LEU HD22 1 1 6 1766 1 1 5 LEU HD23 H -7.828 -2.736 -5.483 1.00 . A A . 5 LEU HD23 1 1 6 1767 1 1 5 LEU HG H -10.273 -1.831 -3.962 1.00 . A A . 5 LEU HG 1 1 6 1768 1 1 5 LEU N N -9.024 -1.000 -1.593 1.00 . A A . 5 LEU N 1 1 6 1769 1 1 5 LEU O O -5.715 -0.114 -2.483 1.00 . A A . 5 LEU O 1 1 6 1770 1 1 6 LEU C C -5.259 1.700 -0.117 1.00 . A A . 6 LEU C 1 1 6 1771 1 1 6 LEU CA C -6.379 2.159 -1.080 1.00 . A A . 6 LEU CA 1 1 6 1772 1 1 6 LEU CB C -7.117 3.382 -0.547 1.00 . A A . 6 LEU CB 1 1 6 1773 1 1 6 LEU CD1 C -8.734 5.251 -0.849 1.00 . A A . 6 LEU CD1 1 1 6 1774 1 1 6 LEU CD2 C -7.361 4.482 -2.794 1.00 . A A . 6 LEU CD2 1 1 6 1775 1 1 6 LEU CG C -8.080 4.060 -1.516 1.00 . A A . 6 LEU CG 1 1 6 1776 1 1 6 LEU H H -8.228 1.123 -1.168 1.00 . A A . 6 LEU H 1 1 6 1777 1 1 6 LEU HA H -5.874 2.446 -1.991 1.00 . A A . 6 LEU HA 1 1 6 1778 1 1 6 LEU HB2 H -7.682 3.075 0.318 1.00 . A A . 6 LEU HB2 1 1 6 1779 1 1 6 LEU HB3 H -6.383 4.111 -0.238 1.00 . A A . 6 LEU HB3 1 1 6 1780 1 1 6 LEU HD11 H -7.971 5.938 -0.514 1.00 . A A . 6 LEU HD11 1 1 6 1781 1 1 6 LEU HD12 H -9.318 4.916 -0.005 1.00 . A A . 6 LEU HD12 1 1 6 1782 1 1 6 LEU HD13 H -9.377 5.749 -1.558 1.00 . A A . 6 LEU HD13 1 1 6 1783 1 1 6 LEU HD21 H -8.062 4.976 -3.449 1.00 . A A . 6 LEU HD21 1 1 6 1784 1 1 6 LEU HD22 H -6.970 3.609 -3.294 1.00 . A A . 6 LEU HD22 1 1 6 1785 1 1 6 LEU HD23 H -6.552 5.157 -2.554 1.00 . A A . 6 LEU HD23 1 1 6 1786 1 1 6 LEU HG H -8.858 3.357 -1.778 1.00 . A A . 6 LEU HG 1 1 6 1787 1 1 6 LEU N N -7.295 1.094 -1.473 1.00 . A A . 6 LEU N 1 1 6 1788 1 1 6 LEU O O -4.109 2.059 -0.339 1.00 . A A . 6 LEU O 1 1 6 1789 1 1 7 PRO C C -3.548 -0.513 1.106 1.00 . A A . 7 PRO C 1 1 6 1790 1 1 7 PRO CA C -4.495 0.398 1.853 1.00 . A A . 7 PRO CA 1 1 6 1791 1 1 7 PRO CB C -5.242 -0.396 2.920 1.00 . A A . 7 PRO CB 1 1 6 1792 1 1 7 PRO CD C -6.868 0.500 1.461 1.00 . A A . 7 PRO CD 1 1 6 1793 1 1 7 PRO CG C -6.620 0.134 2.881 1.00 . A A . 7 PRO CG 1 1 6 1794 1 1 7 PRO HA H -3.940 1.204 2.310 1.00 . A A . 7 PRO HA 1 1 6 1795 1 1 7 PRO HB2 H -5.209 -1.447 2.671 1.00 . A A . 7 PRO HB2 1 1 6 1796 1 1 7 PRO HB3 H -4.782 -0.237 3.884 1.00 . A A . 7 PRO HB3 1 1 6 1797 1 1 7 PRO HD2 H -7.231 -0.358 0.912 1.00 . A A . 7 PRO HD2 1 1 6 1798 1 1 7 PRO HD3 H -7.574 1.312 1.392 1.00 . A A . 7 PRO HD3 1 1 6 1799 1 1 7 PRO HG2 H -7.315 -0.630 3.195 1.00 . A A . 7 PRO HG2 1 1 6 1800 1 1 7 PRO HG3 H -6.705 1.005 3.514 1.00 . A A . 7 PRO HG3 1 1 6 1801 1 1 7 PRO N N -5.548 0.906 0.972 1.00 . A A . 7 PRO N 1 1 6 1802 1 1 7 PRO O O -2.401 -0.625 1.465 1.00 . A A . 7 PRO O 1 1 6 1803 1 1 8 ARG C C -2.212 -1.172 -1.534 1.00 . A A . 8 ARG C 1 1 6 1804 1 1 8 ARG CA C -3.213 -2.015 -0.766 1.00 . A A . 8 ARG CA 1 1 6 1805 1 1 8 ARG CB C -4.060 -2.843 -1.726 1.00 . A A . 8 ARG CB 1 1 6 1806 1 1 8 ARG CD C -5.964 -4.444 -2.035 1.00 . A A . 8 ARG CD 1 1 6 1807 1 1 8 ARG CG C -5.153 -3.639 -1.042 1.00 . A A . 8 ARG CG 1 1 6 1808 1 1 8 ARG CZ C -5.439 -6.137 -3.774 1.00 . A A . 8 ARG CZ 1 1 6 1809 1 1 8 ARG H H -4.975 -0.981 -0.201 1.00 . A A . 8 ARG H 1 1 6 1810 1 1 8 ARG HA H -2.676 -2.670 -0.097 1.00 . A A . 8 ARG HA 1 1 6 1811 1 1 8 ARG HB2 H -4.524 -2.177 -2.439 1.00 . A A . 8 ARG HB2 1 1 6 1812 1 1 8 ARG HB3 H -3.418 -3.531 -2.254 1.00 . A A . 8 ARG HB3 1 1 6 1813 1 1 8 ARG HD2 H -6.842 -4.829 -1.537 1.00 . A A . 8 ARG HD2 1 1 6 1814 1 1 8 ARG HD3 H -6.267 -3.794 -2.841 1.00 . A A . 8 ARG HD3 1 1 6 1815 1 1 8 ARG HE H -4.534 -5.942 -1.976 1.00 . A A . 8 ARG HE 1 1 6 1816 1 1 8 ARG HG2 H -4.702 -4.313 -0.329 1.00 . A A . 8 ARG HG2 1 1 6 1817 1 1 8 ARG HG3 H -5.809 -2.952 -0.526 1.00 . A A . 8 ARG HG3 1 1 6 1818 1 1 8 ARG HH11 H -6.623 -4.639 -4.499 1.00 . A A . 8 ARG HH11 1 1 6 1819 1 1 8 ARG HH12 H -6.394 -5.960 -5.561 1.00 . A A . 8 ARG HH12 1 1 6 1820 1 1 8 ARG HH21 H -4.223 -7.741 -3.444 1.00 . A A . 8 ARG HH21 1 1 6 1821 1 1 8 ARG HH22 H -4.992 -7.754 -4.954 1.00 . A A . 8 ARG HH22 1 1 6 1822 1 1 8 ARG N N -4.039 -1.138 0.042 1.00 . A A . 8 ARG N 1 1 6 1823 1 1 8 ARG NE N -5.209 -5.566 -2.589 1.00 . A A . 8 ARG NE 1 1 6 1824 1 1 8 ARG NH1 N -6.208 -5.532 -4.674 1.00 . A A . 8 ARG NH1 1 1 6 1825 1 1 8 ARG NH2 N -4.847 -7.280 -4.081 1.00 . A A . 8 ARG NH2 1 1 6 1826 1 1 8 ARG O O -1.032 -1.491 -1.576 1.00 . A A . 8 ARG O 1 1 6 1827 1 1 9 ILE C C -0.818 1.485 -1.815 1.00 . A A . 9 ILE C 1 1 6 1828 1 1 9 ILE CA C -1.827 0.877 -2.799 1.00 . A A . 9 ILE CA 1 1 6 1829 1 1 9 ILE CB C -2.651 2.009 -3.490 1.00 . A A . 9 ILE CB 1 1 6 1830 1 1 9 ILE CD1 C -4.531 2.414 -5.197 1.00 . A A . 9 ILE CD1 1 1 6 1831 1 1 9 ILE CG1 C -3.629 1.402 -4.514 1.00 . A A . 9 ILE CG1 1 1 6 1832 1 1 9 ILE CG2 C -1.721 3.024 -4.172 1.00 . A A . 9 ILE CG2 1 1 6 1833 1 1 9 ILE H H -3.653 0.111 -2.049 1.00 . A A . 9 ILE H 1 1 6 1834 1 1 9 ILE HA H -1.284 0.323 -3.551 1.00 . A A . 9 ILE HA 1 1 6 1835 1 1 9 ILE HB H -3.217 2.526 -2.730 1.00 . A A . 9 ILE HB 1 1 6 1836 1 1 9 ILE HD11 H -5.123 2.927 -4.453 1.00 . A A . 9 ILE HD11 1 1 6 1837 1 1 9 ILE HD12 H -5.185 1.904 -5.888 1.00 . A A . 9 ILE HD12 1 1 6 1838 1 1 9 ILE HD13 H -3.926 3.130 -5.733 1.00 . A A . 9 ILE HD13 1 1 6 1839 1 1 9 ILE HG12 H -3.064 0.898 -5.284 1.00 . A A . 9 ILE HG12 1 1 6 1840 1 1 9 ILE HG13 H -4.256 0.680 -4.012 1.00 . A A . 9 ILE HG13 1 1 6 1841 1 1 9 ILE HG21 H -1.125 2.522 -4.920 1.00 . A A . 9 ILE HG21 1 1 6 1842 1 1 9 ILE HG22 H -1.072 3.471 -3.433 1.00 . A A . 9 ILE HG22 1 1 6 1843 1 1 9 ILE HG23 H -2.314 3.795 -4.641 1.00 . A A . 9 ILE HG23 1 1 6 1844 1 1 9 ILE N N -2.688 -0.065 -2.096 1.00 . A A . 9 ILE N 1 1 6 1845 1 1 9 ILE O O 0.379 1.575 -2.108 1.00 . A A . 9 ILE O 1 1 6 1846 1 1 10 LYS C C 0.570 1.389 0.923 1.00 . A A . 10 LYS C 1 1 6 1847 1 1 10 LYS CA C -0.453 2.405 0.414 1.00 . A A . 10 LYS CA 1 1 6 1848 1 1 10 LYS CB C -1.281 2.971 1.567 1.00 . A A . 10 LYS CB 1 1 6 1849 1 1 10 LYS CD C -2.880 4.723 2.383 1.00 . A A . 10 LYS CD 1 1 6 1850 1 1 10 LYS CE C -3.718 5.946 2.026 1.00 . A A . 10 LYS CE 1 1 6 1851 1 1 10 LYS CG C -2.142 4.167 1.179 1.00 . A A . 10 LYS CG 1 1 6 1852 1 1 10 LYS H H -2.262 1.706 -0.455 1.00 . A A . 10 LYS H 1 1 6 1853 1 1 10 LYS HA H 0.082 3.218 -0.053 1.00 . A A . 10 LYS HA 1 1 6 1854 1 1 10 LYS HB2 H -1.930 2.194 1.943 1.00 . A A . 10 LYS HB2 1 1 6 1855 1 1 10 LYS HB3 H -0.612 3.281 2.356 1.00 . A A . 10 LYS HB3 1 1 6 1856 1 1 10 LYS HD2 H -3.529 3.959 2.782 1.00 . A A . 10 LYS HD2 1 1 6 1857 1 1 10 LYS HD3 H -2.154 5.003 3.131 1.00 . A A . 10 LYS HD3 1 1 6 1858 1 1 10 LYS HE2 H -4.177 6.327 2.925 1.00 . A A . 10 LYS HE2 1 1 6 1859 1 1 10 LYS HE3 H -3.066 6.701 1.611 1.00 . A A . 10 LYS HE3 1 1 6 1860 1 1 10 LYS HG2 H -1.509 4.939 0.768 1.00 . A A . 10 LYS HG2 1 1 6 1861 1 1 10 LYS HG3 H -2.861 3.854 0.437 1.00 . A A . 10 LYS HG3 1 1 6 1862 1 1 10 LYS HZ1 H -5.402 4.899 1.428 1.00 . A A . 10 LYS HZ1 1 1 6 1863 1 1 10 LYS HZ2 H -4.386 5.364 0.130 1.00 . A A . 10 LYS HZ2 1 1 6 1864 1 1 10 LYS HZ3 H -5.357 6.495 0.907 1.00 . A A . 10 LYS HZ3 1 1 6 1865 1 1 10 LYS N N -1.301 1.834 -0.625 1.00 . A A . 10 LYS N 1 1 6 1866 1 1 10 LYS NZ N -4.780 5.642 1.050 1.00 . A A . 10 LYS NZ 1 1 6 1867 1 1 10 LYS O O 1.673 1.750 1.329 1.00 . A A . 10 LYS O 1 1 6 1868 1 1 11 LYS C C 2.133 -1.173 0.205 1.00 . A A . 11 LYS C 1 1 6 1869 1 1 11 LYS CA C 1.063 -0.966 1.271 1.00 . A A . 11 LYS CA 1 1 6 1870 1 1 11 LYS CB C 0.215 -2.229 1.462 1.00 . A A . 11 LYS CB 1 1 6 1871 1 1 11 LYS CD C 0.031 -4.648 2.125 1.00 . A A . 11 LYS CD 1 1 6 1872 1 1 11 LYS CE C -0.857 -4.376 3.338 1.00 . A A . 11 LYS CE 1 1 6 1873 1 1 11 LYS CG C 0.976 -3.483 1.847 1.00 . A A . 11 LYS CG 1 1 6 1874 1 1 11 LYS H H -0.719 -0.077 0.602 1.00 . A A . 11 LYS H 1 1 6 1875 1 1 11 LYS HA H 1.538 -0.710 2.207 1.00 . A A . 11 LYS HA 1 1 6 1876 1 1 11 LYS HB2 H -0.511 -2.023 2.234 1.00 . A A . 11 LYS HB2 1 1 6 1877 1 1 11 LYS HB3 H -0.316 -2.420 0.540 1.00 . A A . 11 LYS HB3 1 1 6 1878 1 1 11 LYS HD2 H -0.599 -4.801 1.261 1.00 . A A . 11 LYS HD2 1 1 6 1879 1 1 11 LYS HD3 H 0.615 -5.538 2.308 1.00 . A A . 11 LYS HD3 1 1 6 1880 1 1 11 LYS HE2 H -0.231 -4.209 4.201 1.00 . A A . 11 LYS HE2 1 1 6 1881 1 1 11 LYS HE3 H -1.452 -3.495 3.151 1.00 . A A . 11 LYS HE3 1 1 6 1882 1 1 11 LYS HG2 H 1.634 -3.754 1.035 1.00 . A A . 11 LYS HG2 1 1 6 1883 1 1 11 LYS HG3 H 1.559 -3.283 2.732 1.00 . A A . 11 LYS HG3 1 1 6 1884 1 1 11 LYS HZ1 H -2.417 -5.673 2.835 1.00 . A A . 11 LYS HZ1 1 1 6 1885 1 1 11 LYS HZ2 H -2.338 -5.319 4.472 1.00 . A A . 11 LYS HZ2 1 1 6 1886 1 1 11 LYS HZ3 H -1.230 -6.377 3.793 1.00 . A A . 11 LYS HZ3 1 1 6 1887 1 1 11 LYS N N 0.198 0.132 0.882 1.00 . A A . 11 LYS N 1 1 6 1888 1 1 11 LYS NZ N -1.763 -5.502 3.626 1.00 . A A . 11 LYS NZ 1 1 6 1889 1 1 11 LYS O O 3.301 -1.452 0.513 1.00 . A A . 11 LYS O 1 1 6 1890 1 1 12 LYS C C 3.691 -0.023 -2.107 1.00 . A A . 12 LYS C 1 1 6 1891 1 1 12 LYS CA C 2.649 -1.132 -2.162 1.00 . A A . 12 LYS CA 1 1 6 1892 1 1 12 LYS CB C 1.894 -1.093 -3.492 1.00 . A A . 12 LYS CB 1 1 6 1893 1 1 12 LYS CD C 0.189 -2.175 -5.021 1.00 . A A . 12 LYS CD 1 1 6 1894 1 1 12 LYS CE C 1.027 -1.880 -6.255 1.00 . A A . 12 LYS CE 1 1 6 1895 1 1 12 LYS CG C 1.047 -2.332 -3.765 1.00 . A A . 12 LYS CG 1 1 6 1896 1 1 12 LYS H H 0.778 -0.893 -1.228 1.00 . A A . 12 LYS H 1 1 6 1897 1 1 12 LYS HA H 3.157 -2.081 -2.081 1.00 . A A . 12 LYS HA 1 1 6 1898 1 1 12 LYS HB2 H 1.244 -0.230 -3.497 1.00 . A A . 12 LYS HB2 1 1 6 1899 1 1 12 LYS HB3 H 2.615 -0.993 -4.288 1.00 . A A . 12 LYS HB3 1 1 6 1900 1 1 12 LYS HD2 H -0.356 -3.092 -5.190 1.00 . A A . 12 LYS HD2 1 1 6 1901 1 1 12 LYS HD3 H -0.510 -1.367 -4.870 1.00 . A A . 12 LYS HD3 1 1 6 1902 1 1 12 LYS HE2 H 1.543 -0.944 -6.105 1.00 . A A . 12 LYS HE2 1 1 6 1903 1 1 12 LYS HE3 H 1.749 -2.673 -6.372 1.00 . A A . 12 LYS HE3 1 1 6 1904 1 1 12 LYS HG2 H 1.700 -3.182 -3.896 1.00 . A A . 12 LYS HG2 1 1 6 1905 1 1 12 LYS HG3 H 0.400 -2.502 -2.916 1.00 . A A . 12 LYS HG3 1 1 6 1906 1 1 12 LYS HZ1 H 0.785 -1.470 -8.276 1.00 . A A . 12 LYS HZ1 1 1 6 1907 1 1 12 LYS HZ2 H -0.571 -1.087 -7.357 1.00 . A A . 12 LYS HZ2 1 1 6 1908 1 1 12 LYS HZ3 H -0.214 -2.695 -7.722 1.00 . A A . 12 LYS HZ3 1 1 6 1909 1 1 12 LYS N N 1.733 -1.038 -1.046 1.00 . A A . 12 LYS N 1 1 6 1910 1 1 12 LYS NZ N 0.200 -1.774 -7.472 1.00 . A A . 12 LYS NZ 1 1 6 1911 1 1 12 LYS O O 4.891 -0.302 -2.078 1.00 . A A . 12 LYS O 1 1 6 1912 1 1 13 ILE C C 5.023 2.416 -0.772 1.00 . A A . 13 ILE C 1 1 6 1913 1 1 13 ILE CA C 4.136 2.376 -2.025 1.00 . A A . 13 ILE CA 1 1 6 1914 1 1 13 ILE CB C 3.389 3.733 -2.191 1.00 . A A . 13 ILE CB 1 1 6 1915 1 1 13 ILE CD1 C 1.706 5.303 -1.060 1.00 . A A . 13 ILE CD1 1 1 6 1916 1 1 13 ILE CG1 C 2.439 3.978 -1.017 1.00 . A A . 13 ILE CG1 1 1 6 1917 1 1 13 ILE CG2 C 2.639 3.765 -3.519 1.00 . A A . 13 ILE CG2 1 1 6 1918 1 1 13 ILE H H 2.260 1.366 -1.975 1.00 . A A . 13 ILE H 1 1 6 1919 1 1 13 ILE HA H 4.791 2.244 -2.874 1.00 . A A . 13 ILE HA 1 1 6 1920 1 1 13 ILE HB H 4.127 4.519 -2.221 1.00 . A A . 13 ILE HB 1 1 6 1921 1 1 13 ILE HD11 H 2.423 6.111 -1.073 1.00 . A A . 13 ILE HD11 1 1 6 1922 1 1 13 ILE HD12 H 1.076 5.394 -0.187 1.00 . A A . 13 ILE HD12 1 1 6 1923 1 1 13 ILE HD13 H 1.099 5.345 -1.953 1.00 . A A . 13 ILE HD13 1 1 6 1924 1 1 13 ILE HG12 H 1.707 3.186 -1.030 1.00 . A A . 13 ILE HG12 1 1 6 1925 1 1 13 ILE HG13 H 2.997 3.922 -0.094 1.00 . A A . 13 ILE HG13 1 1 6 1926 1 1 13 ILE HG21 H 2.112 4.703 -3.613 1.00 . A A . 13 ILE HG21 1 1 6 1927 1 1 13 ILE HG22 H 1.932 2.949 -3.554 1.00 . A A . 13 ILE HG22 1 1 6 1928 1 1 13 ILE HG23 H 3.343 3.665 -4.331 1.00 . A A . 13 ILE HG23 1 1 6 1929 1 1 13 ILE N N 3.234 1.222 -2.025 1.00 . A A . 13 ILE N 1 1 6 1930 1 1 13 ILE O O 6.154 2.894 -0.826 1.00 . A A . 13 ILE O 1 1 6 1931 1 1 14 LEU C C 6.468 0.916 1.422 1.00 . A A . 14 LEU C 1 1 6 1932 1 1 14 LEU CA C 5.291 1.863 1.584 1.00 . A A . 14 LEU CA 1 1 6 1933 1 1 14 LEU CB C 4.422 1.407 2.765 1.00 . A A . 14 LEU CB 1 1 6 1934 1 1 14 LEU CD1 C 5.521 2.754 4.596 1.00 . A A . 14 LEU CD1 1 1 6 1935 1 1 14 LEU CD2 C 4.210 0.692 5.168 1.00 . A A . 14 LEU CD2 1 1 6 1936 1 1 14 LEU CG C 5.109 1.360 4.138 1.00 . A A . 14 LEU CG 1 1 6 1937 1 1 14 LEU H H 3.597 1.558 0.351 1.00 . A A . 14 LEU H 1 1 6 1938 1 1 14 LEU HA H 5.660 2.859 1.778 1.00 . A A . 14 LEU HA 1 1 6 1939 1 1 14 LEU HB2 H 3.578 2.078 2.834 1.00 . A A . 14 LEU HB2 1 1 6 1940 1 1 14 LEU HB3 H 4.049 0.418 2.543 1.00 . A A . 14 LEU HB3 1 1 6 1941 1 1 14 LEU HD11 H 5.986 2.689 5.569 1.00 . A A . 14 LEU HD11 1 1 6 1942 1 1 14 LEU HD12 H 4.649 3.388 4.655 1.00 . A A . 14 LEU HD12 1 1 6 1943 1 1 14 LEU HD13 H 6.222 3.174 3.889 1.00 . A A . 14 LEU HD13 1 1 6 1944 1 1 14 LEU HD21 H 3.287 1.245 5.257 1.00 . A A . 14 LEU HD21 1 1 6 1945 1 1 14 LEU HD22 H 4.712 0.678 6.125 1.00 . A A . 14 LEU HD22 1 1 6 1946 1 1 14 LEU HD23 H 3.996 -0.319 4.858 1.00 . A A . 14 LEU HD23 1 1 6 1947 1 1 14 LEU HG H 6.009 0.771 4.042 1.00 . A A . 14 LEU HG 1 1 6 1948 1 1 14 LEU N N 4.517 1.901 0.349 1.00 . A A . 14 LEU N 1 1 6 1949 1 1 14 LEU O O 7.596 1.237 1.786 1.00 . A A . 14 LEU O 1 1 6 1950 1 1 15 ALA C C 8.163 -0.843 -0.485 1.00 . A A . 15 ALA C 1 1 6 1951 1 1 15 ALA CA C 7.206 -1.245 0.628 1.00 . A A . 15 ALA CA 1 1 6 1952 1 1 15 ALA CB C 6.552 -2.574 0.317 1.00 . A A . 15 ALA CB 1 1 6 1953 1 1 15 ALA H H 5.276 -0.400 0.540 1.00 . A A . 15 ALA H 1 1 6 1954 1 1 15 ALA HA H 7.766 -1.348 1.547 1.00 . A A . 15 ALA HA 1 1 6 1955 1 1 15 ALA HB1 H 5.901 -2.856 1.130 1.00 . A A . 15 ALA HB1 1 1 6 1956 1 1 15 ALA HB2 H 7.310 -3.330 0.175 1.00 . A A . 15 ALA HB2 1 1 6 1957 1 1 15 ALA HB3 H 5.971 -2.475 -0.587 1.00 . A A . 15 ALA HB3 1 1 6 1958 1 1 15 ALA N N 6.197 -0.231 0.836 1.00 . A A . 15 ALA N 1 1 6 1959 1 1 15 ALA O O 9.362 -1.105 -0.403 1.00 . A A . 15 ALA O 1 1 6 1960 1 1 16 ALA C C 9.415 1.345 -2.219 1.00 . A A . 16 ALA C 1 1 6 1961 1 1 16 ALA CA C 8.431 0.266 -2.643 1.00 . A A . 16 ALA CA 1 1 6 1962 1 1 16 ALA CB C 7.538 0.773 -3.765 1.00 . A A . 16 ALA CB 1 1 6 1963 1 1 16 ALA H H 6.663 -0.022 -1.516 1.00 . A A . 16 ALA H 1 1 6 1964 1 1 16 ALA HA H 8.990 -0.583 -3.009 1.00 . A A . 16 ALA HA 1 1 6 1965 1 1 16 ALA HB1 H 6.989 1.637 -3.421 1.00 . A A . 16 ALA HB1 1 1 6 1966 1 1 16 ALA HB2 H 6.844 -0.003 -4.052 1.00 . A A . 16 ALA HB2 1 1 6 1967 1 1 16 ALA HB3 H 8.145 1.048 -4.615 1.00 . A A . 16 ALA HB3 1 1 6 1968 1 1 16 ALA N N 7.632 -0.188 -1.509 1.00 . A A . 16 ALA N 1 1 6 1969 1 1 16 ALA O O 10.583 1.333 -2.623 1.00 . A A . 16 ALA O 1 1 6 1970 1 1 17 ALA C C 10.764 2.854 0.189 1.00 . A A . 17 ALA C 1 1 6 1971 1 1 17 ALA CA C 9.800 3.341 -0.888 1.00 . A A . 17 ALA CA 1 1 6 1972 1 1 17 ALA CB C 8.944 4.469 -0.355 1.00 . A A . 17 ALA CB 1 1 6 1973 1 1 17 ALA H H 8.023 2.219 -1.081 1.00 . A A . 17 ALA H 1 1 6 1974 1 1 17 ALA HA H 10.375 3.714 -1.723 1.00 . A A . 17 ALA HA 1 1 6 1975 1 1 17 ALA HB1 H 9.578 5.270 -0.008 1.00 . A A . 17 ALA HB1 1 1 6 1976 1 1 17 ALA HB2 H 8.335 4.109 0.459 1.00 . A A . 17 ALA HB2 1 1 6 1977 1 1 17 ALA HB3 H 8.311 4.834 -1.150 1.00 . A A . 17 ALA HB3 1 1 6 1978 1 1 17 ALA N N 8.960 2.256 -1.376 1.00 . A A . 17 ALA N 1 1 6 1979 1 1 17 ALA O O 11.718 3.558 0.554 1.00 . A A . 17 ALA O 1 1 6 1980 1 1 18 PHE C C 12.537 0.428 0.987 1.00 . A A . 18 PHE C 1 1 6 1981 1 1 18 PHE CA C 11.361 1.080 1.694 1.00 . A A . 18 PHE CA 1 1 6 1982 1 1 18 PHE CB C 10.577 0.049 2.525 1.00 . A A . 18 PHE CB 1 1 6 1983 1 1 18 PHE CD1 C 11.186 0.228 4.947 1.00 . A A . 18 PHE CD1 1 1 6 1984 1 1 18 PHE CD2 C 12.075 -1.594 3.701 1.00 . A A . 18 PHE CD2 1 1 6 1985 1 1 18 PHE CE1 C 11.833 -0.221 6.076 1.00 . A A . 18 PHE CE1 1 1 6 1986 1 1 18 PHE CE2 C 12.726 -2.048 4.827 1.00 . A A . 18 PHE CE2 1 1 6 1987 1 1 18 PHE CG C 11.298 -0.449 3.746 1.00 . A A . 18 PHE CG 1 1 6 1988 1 1 18 PHE CZ C 12.604 -1.360 6.017 1.00 . A A . 18 PHE CZ 1 1 6 1989 1 1 18 PHE H H 9.743 1.163 0.366 1.00 . A A . 18 PHE H 1 1 6 1990 1 1 18 PHE HA H 11.723 1.868 2.337 1.00 . A A . 18 PHE HA 1 1 6 1991 1 1 18 PHE HB2 H 9.647 0.492 2.850 1.00 . A A . 18 PHE HB2 1 1 6 1992 1 1 18 PHE HB3 H 10.355 -0.802 1.897 1.00 . A A . 18 PHE HB3 1 1 6 1993 1 1 18 PHE HD1 H 10.583 1.124 4.995 1.00 . A A . 18 PHE HD1 1 1 6 1994 1 1 18 PHE HD2 H 12.174 -2.135 2.770 1.00 . A A . 18 PHE HD2 1 1 6 1995 1 1 18 PHE HE1 H 11.740 0.320 7.007 1.00 . A A . 18 PHE HE1 1 1 6 1996 1 1 18 PHE HE2 H 13.332 -2.940 4.779 1.00 . A A . 18 PHE HE2 1 1 6 1997 1 1 18 PHE HZ H 13.110 -1.711 6.904 1.00 . A A . 18 PHE HZ 1 1 6 1998 1 1 18 PHE N N 10.516 1.667 0.693 1.00 . A A . 18 PHE N 1 1 6 1999 1 1 18 PHE O O 12.414 -0.665 0.403 1.00 . A A . 18 PHE O 1 1 6 2000 1 1 19 LYS C C 15.975 0.802 1.259 1.00 . A A . 19 LYS C 1 1 6 2001 1 1 19 LYS CA C 14.809 0.658 0.315 1.00 . A A . 19 LYS CA 1 1 6 2002 1 1 19 LYS CB C 15.021 1.445 -0.987 1.00 . A A . 19 LYS CB 1 1 6 2003 1 1 19 LYS CD C 16.254 1.698 -3.153 1.00 . A A . 19 LYS CD 1 1 6 2004 1 1 19 LYS CE C 17.451 1.261 -3.985 1.00 . A A . 19 LYS CE 1 1 6 2005 1 1 19 LYS CG C 16.219 1.001 -1.804 1.00 . A A . 19 LYS CG 1 1 6 2006 1 1 19 LYS H H 13.679 1.975 1.444 1.00 . A A . 19 LYS H 1 1 6 2007 1 1 19 LYS HA H 14.669 -0.386 0.080 1.00 . A A . 19 LYS HA 1 1 6 2008 1 1 19 LYS HB2 H 14.139 1.337 -1.603 1.00 . A A . 19 LYS HB2 1 1 6 2009 1 1 19 LYS HB3 H 15.144 2.490 -0.742 1.00 . A A . 19 LYS HB3 1 1 6 2010 1 1 19 LYS HD2 H 15.349 1.463 -3.694 1.00 . A A . 19 LYS HD2 1 1 6 2011 1 1 19 LYS HD3 H 16.308 2.766 -2.993 1.00 . A A . 19 LYS HD3 1 1 6 2012 1 1 19 LYS HE2 H 17.384 1.730 -4.956 1.00 . A A . 19 LYS HE2 1 1 6 2013 1 1 19 LYS HE3 H 18.357 1.587 -3.496 1.00 . A A . 19 LYS HE3 1 1 6 2014 1 1 19 LYS HG2 H 17.123 1.236 -1.260 1.00 . A A . 19 LYS HG2 1 1 6 2015 1 1 19 LYS HG3 H 16.159 -0.065 -1.958 1.00 . A A . 19 LYS HG3 1 1 6 2016 1 1 19 LYS HZ1 H 18.265 -0.472 -4.830 1.00 . A A . 19 LYS HZ1 1 1 6 2017 1 1 19 LYS HZ2 H 16.612 -0.601 -4.548 1.00 . A A . 19 LYS HZ2 1 1 6 2018 1 1 19 LYS HZ3 H 17.694 -0.694 -3.273 1.00 . A A . 19 LYS HZ3 1 1 6 2019 1 1 19 LYS N N 13.634 1.115 0.976 1.00 . A A . 19 LYS N 1 1 6 2020 1 1 19 LYS NZ N 17.501 -0.212 -4.175 1.00 . A A . 19 LYS NZ 1 1 6 2021 1 1 19 LYS O O 16.453 -0.215 1.782 1.00 . A A . 19 LYS O 1 1 6 2022 1 1 19 LYS OXT O 16.350 1.947 1.577 1.00 . A A . 19 LYS OXT 1 1 7 2023 1 1 1 PRO C C -14.947 0.853 -4.695 1.00 . A A . 1 PRO C 1 1 7 2024 1 1 1 PRO CA C -16.250 1.383 -5.256 1.00 . A A . 1 PRO CA 1 1 7 2025 1 1 1 PRO CB C -17.216 1.724 -4.128 1.00 . A A . 1 PRO CB 1 1 7 2026 1 1 1 PRO CD C -18.140 -0.060 -5.466 1.00 . A A . 1 PRO CD 1 1 7 2027 1 1 1 PRO CG C -18.508 1.092 -4.551 1.00 . A A . 1 PRO CG 1 1 7 2028 1 1 1 PRO H2 H -17.762 0.725 -6.483 1.00 . A A . 1 PRO H2 1 1 7 2029 1 1 1 PRO H3 H -16.844 -0.556 -5.705 1.00 . A A . 1 PRO H3 1 1 7 2030 1 1 1 PRO HA H -16.059 2.273 -5.835 1.00 . A A . 1 PRO HA 1 1 7 2031 1 1 1 PRO HB2 H -16.849 1.305 -3.202 1.00 . A A . 1 PRO HB2 1 1 7 2032 1 1 1 PRO HB3 H -17.315 2.796 -4.035 1.00 . A A . 1 PRO HB3 1 1 7 2033 1 1 1 PRO HD2 H -18.044 -0.938 -4.840 1.00 . A A . 1 PRO HD2 1 1 7 2034 1 1 1 PRO HD3 H -18.930 -0.249 -6.182 1.00 . A A . 1 PRO HD3 1 1 7 2035 1 1 1 PRO HG2 H -19.038 0.728 -3.683 1.00 . A A . 1 PRO HG2 1 1 7 2036 1 1 1 PRO HG3 H -19.114 1.812 -5.080 1.00 . A A . 1 PRO HG3 1 1 7 2037 1 1 1 PRO N N -16.852 0.397 -6.110 1.00 . A A . 1 PRO N 1 1 7 2038 1 1 1 PRO O O -14.953 -0.062 -3.873 1.00 . A A . 1 PRO O 1 1 7 2039 1 1 2 MET C C -12.290 1.494 -3.277 1.00 . A A . 2 MET C 1 1 7 2040 1 1 2 MET CA C -12.530 0.980 -4.678 1.00 . A A . 2 MET CA 1 1 7 2041 1 1 2 MET CB C -11.408 1.461 -5.608 1.00 . A A . 2 MET CB 1 1 7 2042 1 1 2 MET CE C -10.493 0.638 -9.589 1.00 . A A . 2 MET CE 1 1 7 2043 1 1 2 MET CG C -11.461 0.887 -7.010 1.00 . A A . 2 MET CG 1 1 7 2044 1 1 2 MET H H -13.900 2.131 -5.800 1.00 . A A . 2 MET H 1 1 7 2045 1 1 2 MET HA H -12.527 -0.100 -4.655 1.00 . A A . 2 MET HA 1 1 7 2046 1 1 2 MET HB2 H -11.463 2.537 -5.687 1.00 . A A . 2 MET HB2 1 1 7 2047 1 1 2 MET HB3 H -10.458 1.195 -5.168 1.00 . A A . 2 MET HB3 1 1 7 2048 1 1 2 MET HE1 H -11.479 0.912 -9.934 1.00 . A A . 2 MET HE1 1 1 7 2049 1 1 2 MET HE2 H -10.457 -0.426 -9.412 1.00 . A A . 2 MET HE2 1 1 7 2050 1 1 2 MET HE3 H -9.761 0.900 -10.339 1.00 . A A . 2 MET HE3 1 1 7 2051 1 1 2 MET HG2 H -11.381 -0.188 -6.948 1.00 . A A . 2 MET HG2 1 1 7 2052 1 1 2 MET HG3 H -12.407 1.154 -7.458 1.00 . A A . 2 MET HG3 1 1 7 2053 1 1 2 MET N N -13.837 1.404 -5.145 1.00 . A A . 2 MET N 1 1 7 2054 1 1 2 MET O O -11.927 2.647 -3.088 1.00 . A A . 2 MET O 1 1 7 2055 1 1 2 MET SD S -10.130 1.506 -8.059 1.00 . A A . 2 MET SD 1 1 7 2056 1 1 3 ALA C C -11.329 0.126 -0.287 1.00 . A A . 3 ALA C 1 1 7 2057 1 1 3 ALA CA C -12.373 1.019 -0.929 1.00 . A A . 3 ALA CA 1 1 7 2058 1 1 3 ALA CB C -13.686 0.938 -0.169 1.00 . A A . 3 ALA CB 1 1 7 2059 1 1 3 ALA H H -12.945 -0.208 -2.551 1.00 . A A . 3 ALA H 1 1 7 2060 1 1 3 ALA HA H -12.027 2.041 -0.897 1.00 . A A . 3 ALA HA 1 1 7 2061 1 1 3 ALA HB1 H -14.415 1.583 -0.638 1.00 . A A . 3 ALA HB1 1 1 7 2062 1 1 3 ALA HB2 H -13.527 1.250 0.852 1.00 . A A . 3 ALA HB2 1 1 7 2063 1 1 3 ALA HB3 H -14.045 -0.080 -0.180 1.00 . A A . 3 ALA HB3 1 1 7 2064 1 1 3 ALA N N -12.568 0.666 -2.312 1.00 . A A . 3 ALA N 1 1 7 2065 1 1 3 ALA O O -10.532 0.579 0.527 1.00 . A A . 3 ALA O 1 1 7 2066 1 1 4 LYS C C -8.995 -1.971 -0.730 1.00 . A A . 4 LYS C 1 1 7 2067 1 1 4 LYS CA C -10.376 -2.108 -0.113 1.00 . A A . 4 LYS CA 1 1 7 2068 1 1 4 LYS CB C -10.887 -3.559 -0.267 1.00 . A A . 4 LYS CB 1 1 7 2069 1 1 4 LYS CD C -13.349 -3.184 0.336 1.00 . A A . 4 LYS CD 1 1 7 2070 1 1 4 LYS CE C -14.505 -3.672 1.189 1.00 . A A . 4 LYS CE 1 1 7 2071 1 1 4 LYS CG C -12.077 -3.969 0.626 1.00 . A A . 4 LYS CG 1 1 7 2072 1 1 4 LYS H H -11.924 -1.434 -1.387 1.00 . A A . 4 LYS H 1 1 7 2073 1 1 4 LYS HA H -10.293 -1.880 0.939 1.00 . A A . 4 LYS HA 1 1 7 2074 1 1 4 LYS HB2 H -11.190 -3.702 -1.293 1.00 . A A . 4 LYS HB2 1 1 7 2075 1 1 4 LYS HB3 H -10.065 -4.229 -0.059 1.00 . A A . 4 LYS HB3 1 1 7 2076 1 1 4 LYS HD2 H -13.172 -2.141 0.551 1.00 . A A . 4 LYS HD2 1 1 7 2077 1 1 4 LYS HD3 H -13.606 -3.300 -0.706 1.00 . A A . 4 LYS HD3 1 1 7 2078 1 1 4 LYS HE2 H -14.707 -4.704 0.943 1.00 . A A . 4 LYS HE2 1 1 7 2079 1 1 4 LYS HE3 H -14.222 -3.602 2.228 1.00 . A A . 4 LYS HE3 1 1 7 2080 1 1 4 LYS HG2 H -12.284 -5.017 0.467 1.00 . A A . 4 LYS HG2 1 1 7 2081 1 1 4 LYS HG3 H -11.797 -3.820 1.658 1.00 . A A . 4 LYS HG3 1 1 7 2082 1 1 4 LYS HZ1 H -15.584 -1.895 1.268 1.00 . A A . 4 LYS HZ1 1 1 7 2083 1 1 4 LYS HZ2 H -16.524 -3.263 1.523 1.00 . A A . 4 LYS HZ2 1 1 7 2084 1 1 4 LYS HZ3 H -16.013 -2.878 -0.034 1.00 . A A . 4 LYS HZ3 1 1 7 2085 1 1 4 LYS N N -11.305 -1.133 -0.687 1.00 . A A . 4 LYS N 1 1 7 2086 1 1 4 LYS NZ N -15.732 -2.877 0.967 1.00 . A A . 4 LYS NZ 1 1 7 2087 1 1 4 LYS O O -7.992 -2.292 -0.108 1.00 . A A . 4 LYS O 1 1 7 2088 1 1 5 LEU C C -6.920 -0.070 -2.098 1.00 . A A . 5 LEU C 1 1 7 2089 1 1 5 LEU CA C -7.676 -1.267 -2.647 1.00 . A A . 5 LEU CA 1 1 7 2090 1 1 5 LEU CB C -7.868 -1.089 -4.175 1.00 . A A . 5 LEU CB 1 1 7 2091 1 1 5 LEU CD1 C -9.747 -2.727 -4.658 1.00 . A A . 5 LEU CD1 1 1 7 2092 1 1 5 LEU CD2 C -8.204 -2.024 -6.483 1.00 . A A . 5 LEU CD2 1 1 7 2093 1 1 5 LEU CG C -8.331 -2.310 -4.996 1.00 . A A . 5 LEU CG 1 1 7 2094 1 1 5 LEU H H -9.787 -1.209 -2.379 1.00 . A A . 5 LEU H 1 1 7 2095 1 1 5 LEU HA H -7.081 -2.151 -2.475 1.00 . A A . 5 LEU HA 1 1 7 2096 1 1 5 LEU HB2 H -8.595 -0.304 -4.323 1.00 . A A . 5 LEU HB2 1 1 7 2097 1 1 5 LEU HB3 H -6.927 -0.750 -4.582 1.00 . A A . 5 LEU HB3 1 1 7 2098 1 1 5 LEU HD11 H -9.809 -2.979 -3.610 1.00 . A A . 5 LEU HD11 1 1 7 2099 1 1 5 LEU HD12 H -10.014 -3.587 -5.253 1.00 . A A . 5 LEU HD12 1 1 7 2100 1 1 5 LEU HD13 H -10.423 -1.912 -4.876 1.00 . A A . 5 LEU HD13 1 1 7 2101 1 1 5 LEU HD21 H -7.172 -1.813 -6.724 1.00 . A A . 5 LEU HD21 1 1 7 2102 1 1 5 LEU HD22 H -8.815 -1.172 -6.739 1.00 . A A . 5 LEU HD22 1 1 7 2103 1 1 5 LEU HD23 H -8.536 -2.885 -7.044 1.00 . A A . 5 LEU HD23 1 1 7 2104 1 1 5 LEU HG H -7.685 -3.145 -4.768 1.00 . A A . 5 LEU HG 1 1 7 2105 1 1 5 LEU N N -8.946 -1.455 -1.942 1.00 . A A . 5 LEU N 1 1 7 2106 1 1 5 LEU O O -5.714 0.043 -2.279 1.00 . A A . 5 LEU O 1 1 7 2107 1 1 6 LEU C C -5.899 1.828 0.124 1.00 . A A . 6 LEU C 1 1 7 2108 1 1 6 LEU CA C -7.067 2.037 -0.875 1.00 . A A . 6 LEU CA 1 1 7 2109 1 1 6 LEU CB C -8.160 2.952 -0.311 1.00 . A A . 6 LEU CB 1 1 7 2110 1 1 6 LEU CD1 C -10.320 4.181 -0.612 1.00 . A A . 6 LEU CD1 1 1 7 2111 1 1 6 LEU CD2 C -8.635 4.198 -2.443 1.00 . A A . 6 LEU CD2 1 1 7 2112 1 1 6 LEU CG C -9.239 3.384 -1.307 1.00 . A A . 6 LEU CG 1 1 7 2113 1 1 6 LEU H H -8.567 0.578 -1.206 1.00 . A A . 6 LEU H 1 1 7 2114 1 1 6 LEU HA H -6.632 2.528 -1.732 1.00 . A A . 6 LEU HA 1 1 7 2115 1 1 6 LEU HB2 H -8.650 2.455 0.513 1.00 . A A . 6 LEU HB2 1 1 7 2116 1 1 6 LEU HB3 H -7.681 3.844 0.063 1.00 . A A . 6 LEU HB3 1 1 7 2117 1 1 6 LEU HD11 H -11.086 4.440 -1.327 1.00 . A A . 6 LEU HD11 1 1 7 2118 1 1 6 LEU HD12 H -9.901 5.083 -0.196 1.00 . A A . 6 LEU HD12 1 1 7 2119 1 1 6 LEU HD13 H -10.755 3.585 0.176 1.00 . A A . 6 LEU HD13 1 1 7 2120 1 1 6 LEU HD21 H -7.922 3.599 -2.988 1.00 . A A . 6 LEU HD21 1 1 7 2121 1 1 6 LEU HD22 H -8.139 5.068 -2.039 1.00 . A A . 6 LEU HD22 1 1 7 2122 1 1 6 LEU HD23 H -9.423 4.514 -3.110 1.00 . A A . 6 LEU HD23 1 1 7 2123 1 1 6 LEU HG H -9.698 2.503 -1.731 1.00 . A A . 6 LEU HG 1 1 7 2124 1 1 6 LEU N N -7.631 0.793 -1.395 1.00 . A A . 6 LEU N 1 1 7 2125 1 1 6 LEU O O -4.866 2.483 -0.016 1.00 . A A . 6 LEU O 1 1 7 2126 1 1 7 PRO C C -3.831 -0.164 1.306 1.00 . A A . 7 PRO C 1 1 7 2127 1 1 7 PRO CA C -4.885 0.666 2.042 1.00 . A A . 7 PRO CA 1 1 7 2128 1 1 7 PRO CB C -5.498 -0.154 3.195 1.00 . A A . 7 PRO CB 1 1 7 2129 1 1 7 PRO CD C -7.237 0.250 1.629 1.00 . A A . 7 PRO CD 1 1 7 2130 1 1 7 PRO CG C -6.967 0.061 3.086 1.00 . A A . 7 PRO CG 1 1 7 2131 1 1 7 PRO HA H -4.434 1.572 2.420 1.00 . A A . 7 PRO HA 1 1 7 2132 1 1 7 PRO HB2 H -5.240 -1.195 3.069 1.00 . A A . 7 PRO HB2 1 1 7 2133 1 1 7 PRO HB3 H -5.114 0.203 4.140 1.00 . A A . 7 PRO HB3 1 1 7 2134 1 1 7 PRO HD2 H -7.347 -0.706 1.139 1.00 . A A . 7 PRO HD2 1 1 7 2135 1 1 7 PRO HD3 H -8.119 0.855 1.482 1.00 . A A . 7 PRO HD3 1 1 7 2136 1 1 7 PRO HG2 H -7.497 -0.802 3.461 1.00 . A A . 7 PRO HG2 1 1 7 2137 1 1 7 PRO HG3 H -7.252 0.945 3.637 1.00 . A A . 7 PRO HG3 1 1 7 2138 1 1 7 PRO N N -6.021 0.953 1.165 1.00 . A A . 7 PRO N 1 1 7 2139 1 1 7 PRO O O -2.629 0.024 1.494 1.00 . A A . 7 PRO O 1 1 7 2140 1 1 8 ARG C C -2.455 -1.224 -1.220 1.00 . A A . 8 ARG C 1 1 7 2141 1 1 8 ARG CA C -3.442 -1.956 -0.323 1.00 . A A . 8 ARG CA 1 1 7 2142 1 1 8 ARG CB C -4.261 -2.944 -1.153 1.00 . A A . 8 ARG CB 1 1 7 2143 1 1 8 ARG CD C -5.873 -4.865 -1.196 1.00 . A A . 8 ARG CD 1 1 7 2144 1 1 8 ARG CG C -5.217 -3.796 -0.341 1.00 . A A . 8 ARG CG 1 1 7 2145 1 1 8 ARG CZ C -5.148 -6.984 -2.290 1.00 . A A . 8 ARG CZ 1 1 7 2146 1 1 8 ARG H H -5.271 -1.042 0.255 1.00 . A A . 8 ARG H 1 1 7 2147 1 1 8 ARG HA H -2.878 -2.515 0.409 1.00 . A A . 8 ARG HA 1 1 7 2148 1 1 8 ARG HB2 H -4.836 -2.389 -1.878 1.00 . A A . 8 ARG HB2 1 1 7 2149 1 1 8 ARG HB3 H -3.581 -3.600 -1.677 1.00 . A A . 8 ARG HB3 1 1 7 2150 1 1 8 ARG HD2 H -6.568 -5.425 -0.589 1.00 . A A . 8 ARG HD2 1 1 7 2151 1 1 8 ARG HD3 H -6.407 -4.388 -2.005 1.00 . A A . 8 ARG HD3 1 1 7 2152 1 1 8 ARG HE H -3.945 -5.482 -1.748 1.00 . A A . 8 ARG HE 1 1 7 2153 1 1 8 ARG HG2 H -4.677 -4.269 0.465 1.00 . A A . 8 ARG HG2 1 1 7 2154 1 1 8 ARG HG3 H -5.983 -3.157 0.072 1.00 . A A . 8 ARG HG3 1 1 7 2155 1 1 8 ARG HH11 H -7.172 -6.921 -1.970 1.00 . A A . 8 ARG HH11 1 1 7 2156 1 1 8 ARG HH12 H -6.615 -8.334 -2.745 1.00 . A A . 8 ARG HH12 1 1 7 2157 1 1 8 ARG HH21 H -3.200 -7.408 -2.744 1.00 . A A . 8 ARG HH21 1 1 7 2158 1 1 8 ARG HH22 H -4.317 -8.628 -3.182 1.00 . A A . 8 ARG HH22 1 1 7 2159 1 1 8 ARG N N -4.303 -1.035 0.415 1.00 . A A . 8 ARG N 1 1 7 2160 1 1 8 ARG NE N -4.882 -5.789 -1.764 1.00 . A A . 8 ARG NE 1 1 7 2161 1 1 8 ARG NH1 N -6.399 -7.444 -2.333 1.00 . A A . 8 ARG NH1 1 1 7 2162 1 1 8 ARG NH2 N -4.154 -7.727 -2.771 1.00 . A A . 8 ARG NH2 1 1 7 2163 1 1 8 ARG O O -1.266 -1.545 -1.226 1.00 . A A . 8 ARG O 1 1 7 2164 1 1 9 ILE C C -1.005 1.297 -2.076 1.00 . A A . 9 ILE C 1 1 7 2165 1 1 9 ILE CA C -2.081 0.532 -2.861 1.00 . A A . 9 ILE CA 1 1 7 2166 1 1 9 ILE CB C -2.892 1.492 -3.809 1.00 . A A . 9 ILE CB 1 1 7 2167 1 1 9 ILE CD1 C -2.660 3.124 -5.782 1.00 . A A . 9 ILE CD1 1 1 7 2168 1 1 9 ILE CG1 C -1.953 2.215 -4.793 1.00 . A A . 9 ILE CG1 1 1 7 2169 1 1 9 ILE CG2 C -3.719 2.498 -3.018 1.00 . A A . 9 ILE CG2 1 1 7 2170 1 1 9 ILE H H -3.900 -0.023 -1.912 1.00 . A A . 9 ILE H 1 1 7 2171 1 1 9 ILE HA H -1.565 -0.200 -3.468 1.00 . A A . 9 ILE HA 1 1 7 2172 1 1 9 ILE HB H -3.579 0.882 -4.377 1.00 . A A . 9 ILE HB 1 1 7 2173 1 1 9 ILE HD11 H -1.929 3.599 -6.420 1.00 . A A . 9 ILE HD11 1 1 7 2174 1 1 9 ILE HD12 H -3.217 3.876 -5.245 1.00 . A A . 9 ILE HD12 1 1 7 2175 1 1 9 ILE HD13 H -3.336 2.539 -6.387 1.00 . A A . 9 ILE HD13 1 1 7 2176 1 1 9 ILE HG12 H -1.253 2.820 -4.234 1.00 . A A . 9 ILE HG12 1 1 7 2177 1 1 9 ILE HG13 H -1.404 1.473 -5.354 1.00 . A A . 9 ILE HG13 1 1 7 2178 1 1 9 ILE HG21 H -4.260 3.136 -3.701 1.00 . A A . 9 ILE HG21 1 1 7 2179 1 1 9 ILE HG22 H -3.063 3.099 -2.406 1.00 . A A . 9 ILE HG22 1 1 7 2180 1 1 9 ILE HG23 H -4.418 1.971 -2.385 1.00 . A A . 9 ILE HG23 1 1 7 2181 1 1 9 ILE N N -2.938 -0.230 -1.960 1.00 . A A . 9 ILE N 1 1 7 2182 1 1 9 ILE O O 0.153 1.377 -2.503 1.00 . A A . 9 ILE O 1 1 7 2183 1 1 10 LYS C C 0.643 1.594 0.478 1.00 . A A . 10 LYS C 1 1 7 2184 1 1 10 LYS CA C -0.451 2.506 -0.041 1.00 . A A . 10 LYS CA 1 1 7 2185 1 1 10 LYS CB C -1.177 3.189 1.108 1.00 . A A . 10 LYS CB 1 1 7 2186 1 1 10 LYS CD C -2.822 4.907 1.856 1.00 . A A . 10 LYS CD 1 1 7 2187 1 1 10 LYS CE C -3.764 6.015 1.430 1.00 . A A . 10 LYS CE 1 1 7 2188 1 1 10 LYS CG C -2.137 4.271 0.666 1.00 . A A . 10 LYS CG 1 1 7 2189 1 1 10 LYS H H -2.293 1.620 -0.588 1.00 . A A . 10 LYS H 1 1 7 2190 1 1 10 LYS HA H 0.015 3.260 -0.657 1.00 . A A . 10 LYS HA 1 1 7 2191 1 1 10 LYS HB2 H -1.737 2.444 1.655 1.00 . A A . 10 LYS HB2 1 1 7 2192 1 1 10 LYS HB3 H -0.445 3.633 1.765 1.00 . A A . 10 LYS HB3 1 1 7 2193 1 1 10 LYS HD2 H -3.387 4.151 2.381 1.00 . A A . 10 LYS HD2 1 1 7 2194 1 1 10 LYS HD3 H -2.071 5.316 2.517 1.00 . A A . 10 LYS HD3 1 1 7 2195 1 1 10 LYS HE2 H -4.218 6.435 2.315 1.00 . A A . 10 LYS HE2 1 1 7 2196 1 1 10 LYS HE3 H -3.191 6.779 0.926 1.00 . A A . 10 LYS HE3 1 1 7 2197 1 1 10 LYS HG2 H -1.591 5.030 0.126 1.00 . A A . 10 LYS HG2 1 1 7 2198 1 1 10 LYS HG3 H -2.885 3.834 0.019 1.00 . A A . 10 LYS HG3 1 1 7 2199 1 1 10 LYS HZ1 H -4.441 5.197 -0.381 1.00 . A A . 10 LYS HZ1 1 1 7 2200 1 1 10 LYS HZ2 H -5.528 6.276 0.325 1.00 . A A . 10 LYS HZ2 1 1 7 2201 1 1 10 LYS HZ3 H -5.336 4.728 0.963 1.00 . A A . 10 LYS HZ3 1 1 7 2202 1 1 10 LYS N N -1.372 1.775 -0.892 1.00 . A A . 10 LYS N 1 1 7 2203 1 1 10 LYS NZ N -4.834 5.527 0.524 1.00 . A A . 10 LYS NZ 1 1 7 2204 1 1 10 LYS O O 1.794 2.003 0.604 1.00 . A A . 10 LYS O 1 1 7 2205 1 1 11 LYS C C 2.312 -0.890 0.094 1.00 . A A . 11 LYS C 1 1 7 2206 1 1 11 LYS CA C 1.269 -0.656 1.167 1.00 . A A . 11 LYS CA 1 1 7 2207 1 1 11 LYS CB C 0.612 -1.989 1.519 1.00 . A A . 11 LYS CB 1 1 7 2208 1 1 11 LYS CD C -0.899 -3.326 2.974 1.00 . A A . 11 LYS CD 1 1 7 2209 1 1 11 LYS CE C -1.867 -3.317 4.141 1.00 . A A . 11 LYS CE 1 1 7 2210 1 1 11 LYS CG C -0.331 -1.946 2.699 1.00 . A A . 11 LYS CG 1 1 7 2211 1 1 11 LYS H H -0.650 0.080 0.628 1.00 . A A . 11 LYS H 1 1 7 2212 1 1 11 LYS HA H 1.758 -0.263 2.046 1.00 . A A . 11 LYS HA 1 1 7 2213 1 1 11 LYS HB2 H 0.054 -2.332 0.662 1.00 . A A . 11 LYS HB2 1 1 7 2214 1 1 11 LYS HB3 H 1.390 -2.707 1.732 1.00 . A A . 11 LYS HB3 1 1 7 2215 1 1 11 LYS HD2 H -1.416 -3.671 2.092 1.00 . A A . 11 LYS HD2 1 1 7 2216 1 1 11 LYS HD3 H -0.084 -3.999 3.196 1.00 . A A . 11 LYS HD3 1 1 7 2217 1 1 11 LYS HE2 H -2.677 -2.639 3.915 1.00 . A A . 11 LYS HE2 1 1 7 2218 1 1 11 LYS HE3 H -2.260 -4.315 4.260 1.00 . A A . 11 LYS HE3 1 1 7 2219 1 1 11 LYS HG2 H 0.208 -1.604 3.570 1.00 . A A . 11 LYS HG2 1 1 7 2220 1 1 11 LYS HG3 H -1.142 -1.268 2.482 1.00 . A A . 11 LYS HG3 1 1 7 2221 1 1 11 LYS HZ1 H -0.464 -3.557 5.676 1.00 . A A . 11 LYS HZ1 1 1 7 2222 1 1 11 LYS HZ2 H -1.916 -2.842 6.174 1.00 . A A . 11 LYS HZ2 1 1 7 2223 1 1 11 LYS HZ3 H -0.802 -1.955 5.305 1.00 . A A . 11 LYS HZ3 1 1 7 2224 1 1 11 LYS N N 0.294 0.336 0.727 1.00 . A A . 11 LYS N 1 1 7 2225 1 1 11 LYS NZ N -1.223 -2.899 5.403 1.00 . A A . 11 LYS NZ 1 1 7 2226 1 1 11 LYS O O 3.459 -1.152 0.397 1.00 . A A . 11 LYS O 1 1 7 2227 1 1 12 LYS C C 3.782 0.183 -2.387 1.00 . A A . 12 LYS C 1 1 7 2228 1 1 12 LYS CA C 2.807 -0.978 -2.288 1.00 . A A . 12 LYS CA 1 1 7 2229 1 1 12 LYS CB C 2.023 -1.091 -3.602 1.00 . A A . 12 LYS CB 1 1 7 2230 1 1 12 LYS CD C 1.248 -3.448 -3.152 1.00 . A A . 12 LYS CD 1 1 7 2231 1 1 12 LYS CE C 0.034 -4.347 -3.063 1.00 . A A . 12 LYS CE 1 1 7 2232 1 1 12 LYS CG C 0.843 -2.049 -3.564 1.00 . A A . 12 LYS CG 1 1 7 2233 1 1 12 LYS H H 0.972 -0.505 -1.318 1.00 . A A . 12 LYS H 1 1 7 2234 1 1 12 LYS HA H 3.357 -1.892 -2.118 1.00 . A A . 12 LYS HA 1 1 7 2235 1 1 12 LYS HB2 H 1.646 -0.110 -3.849 1.00 . A A . 12 LYS HB2 1 1 7 2236 1 1 12 LYS HB3 H 2.699 -1.411 -4.383 1.00 . A A . 12 LYS HB3 1 1 7 2237 1 1 12 LYS HD2 H 1.934 -3.847 -3.885 1.00 . A A . 12 LYS HD2 1 1 7 2238 1 1 12 LYS HD3 H 1.729 -3.409 -2.186 1.00 . A A . 12 LYS HD3 1 1 7 2239 1 1 12 LYS HE2 H -0.659 -3.932 -2.347 1.00 . A A . 12 LYS HE2 1 1 7 2240 1 1 12 LYS HE3 H -0.429 -4.378 -4.037 1.00 . A A . 12 LYS HE3 1 1 7 2241 1 1 12 LYS HG2 H 0.120 -1.679 -2.852 1.00 . A A . 12 LYS HG2 1 1 7 2242 1 1 12 LYS HG3 H 0.393 -2.085 -4.545 1.00 . A A . 12 LYS HG3 1 1 7 2243 1 1 12 LYS HZ1 H -0.479 -6.298 -2.615 1.00 . A A . 12 LYS HZ1 1 1 7 2244 1 1 12 LYS HZ2 H 0.819 -5.714 -1.708 1.00 . A A . 12 LYS HZ2 1 1 7 2245 1 1 12 LYS HZ3 H 1.045 -6.133 -3.335 1.00 . A A . 12 LYS HZ3 1 1 7 2246 1 1 12 LYS N N 1.907 -0.760 -1.160 1.00 . A A . 12 LYS N 1 1 7 2247 1 1 12 LYS NZ N 0.383 -5.716 -2.651 1.00 . A A . 12 LYS NZ 1 1 7 2248 1 1 12 LYS O O 4.964 -0.001 -2.692 1.00 . A A . 12 LYS O 1 1 7 2249 1 1 13 ILE C C 5.066 2.531 -0.977 1.00 . A A . 13 ILE C 1 1 7 2250 1 1 13 ILE CA C 4.056 2.599 -2.117 1.00 . A A . 13 ILE CA 1 1 7 2251 1 1 13 ILE CB C 3.146 3.847 -1.928 1.00 . A A . 13 ILE CB 1 1 7 2252 1 1 13 ILE CD1 C 1.031 4.975 -2.822 1.00 . A A . 13 ILE CD1 1 1 7 2253 1 1 13 ILE CG1 C 2.059 3.880 -3.012 1.00 . A A . 13 ILE CG1 1 1 7 2254 1 1 13 ILE CG2 C 3.975 5.134 -1.968 1.00 . A A . 13 ILE CG2 1 1 7 2255 1 1 13 ILE H H 2.309 1.432 -1.906 1.00 . A A . 13 ILE H 1 1 7 2256 1 1 13 ILE HA H 4.578 2.672 -3.059 1.00 . A A . 13 ILE HA 1 1 7 2257 1 1 13 ILE HB H 2.672 3.777 -0.960 1.00 . A A . 13 ILE HB 1 1 7 2258 1 1 13 ILE HD11 H 0.530 4.846 -1.875 1.00 . A A . 13 ILE HD11 1 1 7 2259 1 1 13 ILE HD12 H 0.306 4.937 -3.621 1.00 . A A . 13 ILE HD12 1 1 7 2260 1 1 13 ILE HD13 H 1.531 5.933 -2.835 1.00 . A A . 13 ILE HD13 1 1 7 2261 1 1 13 ILE HG12 H 2.525 4.034 -3.974 1.00 . A A . 13 ILE HG12 1 1 7 2262 1 1 13 ILE HG13 H 1.540 2.933 -3.020 1.00 . A A . 13 ILE HG13 1 1 7 2263 1 1 13 ILE HG21 H 3.325 5.986 -1.832 1.00 . A A . 13 ILE HG21 1 1 7 2264 1 1 13 ILE HG22 H 4.476 5.211 -2.921 1.00 . A A . 13 ILE HG22 1 1 7 2265 1 1 13 ILE HG23 H 4.710 5.110 -1.176 1.00 . A A . 13 ILE HG23 1 1 7 2266 1 1 13 ILE N N 3.266 1.374 -2.114 1.00 . A A . 13 ILE N 1 1 7 2267 1 1 13 ILE O O 6.254 2.858 -1.139 1.00 . A A . 13 ILE O 1 1 7 2268 1 1 14 LEU C C 6.476 0.815 1.050 1.00 . A A . 14 LEU C 1 1 7 2269 1 1 14 LEU CA C 5.420 1.876 1.334 1.00 . A A . 14 LEU CA 1 1 7 2270 1 1 14 LEU CB C 4.566 1.475 2.544 1.00 . A A . 14 LEU CB 1 1 7 2271 1 1 14 LEU CD1 C 6.065 2.457 4.323 1.00 . A A . 14 LEU CD1 1 1 7 2272 1 1 14 LEU CD2 C 4.349 0.749 4.930 1.00 . A A . 14 LEU CD2 1 1 7 2273 1 1 14 LEU CG C 5.315 1.214 3.860 1.00 . A A . 14 LEU CG 1 1 7 2274 1 1 14 LEU H H 3.626 1.885 0.240 1.00 . A A . 14 LEU H 1 1 7 2275 1 1 14 LEU HA H 5.914 2.813 1.547 1.00 . A A . 14 LEU HA 1 1 7 2276 1 1 14 LEU HB2 H 3.847 2.261 2.719 1.00 . A A . 14 LEU HB2 1 1 7 2277 1 1 14 LEU HB3 H 4.025 0.577 2.284 1.00 . A A . 14 LEU HB3 1 1 7 2278 1 1 14 LEU HD11 H 5.363 3.265 4.470 1.00 . A A . 14 LEU HD11 1 1 7 2279 1 1 14 LEU HD12 H 6.795 2.739 3.579 1.00 . A A . 14 LEU HD12 1 1 7 2280 1 1 14 LEU HD13 H 6.567 2.244 5.255 1.00 . A A . 14 LEU HD13 1 1 7 2281 1 1 14 LEU HD21 H 4.889 0.563 5.846 1.00 . A A . 14 LEU HD21 1 1 7 2282 1 1 14 LEU HD22 H 3.862 -0.159 4.609 1.00 . A A . 14 LEU HD22 1 1 7 2283 1 1 14 LEU HD23 H 3.605 1.514 5.101 1.00 . A A . 14 LEU HD23 1 1 7 2284 1 1 14 LEU HG H 6.043 0.431 3.699 1.00 . A A . 14 LEU HG 1 1 7 2285 1 1 14 LEU N N 4.589 2.072 0.168 1.00 . A A . 14 LEU N 1 1 7 2286 1 1 14 LEU O O 7.628 1.003 1.366 1.00 . A A . 14 LEU O 1 1 7 2287 1 1 15 ALA C C 8.010 -0.971 -0.988 1.00 . A A . 15 ALA C 1 1 7 2288 1 1 15 ALA CA C 6.960 -1.383 0.043 1.00 . A A . 15 ALA CA 1 1 7 2289 1 1 15 ALA CB C 6.164 -2.577 -0.464 1.00 . A A . 15 ALA CB 1 1 7 2290 1 1 15 ALA H H 5.116 -0.351 0.157 1.00 . A A . 15 ALA H 1 1 7 2291 1 1 15 ALA HA H 7.473 -1.679 0.946 1.00 . A A . 15 ALA HA 1 1 7 2292 1 1 15 ALA HB1 H 5.436 -2.866 0.280 1.00 . A A . 15 ALA HB1 1 1 7 2293 1 1 15 ALA HB2 H 6.833 -3.401 -0.658 1.00 . A A . 15 ALA HB2 1 1 7 2294 1 1 15 ALA HB3 H 5.657 -2.306 -1.378 1.00 . A A . 15 ALA HB3 1 1 7 2295 1 1 15 ALA N N 6.068 -0.271 0.396 1.00 . A A . 15 ALA N 1 1 7 2296 1 1 15 ALA O O 8.999 -1.672 -1.198 1.00 . A A . 15 ALA O 1 1 7 2297 1 1 16 ALA C C 9.897 1.299 -1.843 1.00 . A A . 16 ALA C 1 1 7 2298 1 1 16 ALA CA C 8.739 0.653 -2.593 1.00 . A A . 16 ALA CA 1 1 7 2299 1 1 16 ALA CB C 8.087 1.646 -3.538 1.00 . A A . 16 ALA CB 1 1 7 2300 1 1 16 ALA H H 6.930 0.605 -1.509 1.00 . A A . 16 ALA H 1 1 7 2301 1 1 16 ALA HA H 9.120 -0.179 -3.168 1.00 . A A . 16 ALA HA 1 1 7 2302 1 1 16 ALA HB1 H 8.815 1.994 -4.256 1.00 . A A . 16 ALA HB1 1 1 7 2303 1 1 16 ALA HB2 H 7.713 2.484 -2.970 1.00 . A A . 16 ALA HB2 1 1 7 2304 1 1 16 ALA HB3 H 7.269 1.169 -4.054 1.00 . A A . 16 ALA HB3 1 1 7 2305 1 1 16 ALA N N 7.779 0.136 -1.654 1.00 . A A . 16 ALA N 1 1 7 2306 1 1 16 ALA O O 11.061 1.062 -2.153 1.00 . A A . 16 ALA O 1 1 7 2307 1 1 17 ALA C C 11.162 1.828 1.004 1.00 . A A . 17 ALA C 1 1 7 2308 1 1 17 ALA CA C 10.595 2.761 -0.048 1.00 . A A . 17 ALA CA 1 1 7 2309 1 1 17 ALA CB C 9.994 3.982 0.619 1.00 . A A . 17 ALA CB 1 1 7 2310 1 1 17 ALA H H 8.629 2.173 -0.591 1.00 . A A . 17 ALA H 1 1 7 2311 1 1 17 ALA HA H 11.385 3.081 -0.711 1.00 . A A . 17 ALA HA 1 1 7 2312 1 1 17 ALA HB1 H 10.759 4.486 1.190 1.00 . A A . 17 ALA HB1 1 1 7 2313 1 1 17 ALA HB2 H 9.195 3.675 1.278 1.00 . A A . 17 ALA HB2 1 1 7 2314 1 1 17 ALA HB3 H 9.604 4.655 -0.129 1.00 . A A . 17 ALA HB3 1 1 7 2315 1 1 17 ALA N N 9.576 2.075 -0.827 1.00 . A A . 17 ALA N 1 1 7 2316 1 1 17 ALA O O 12.375 1.647 1.114 1.00 . A A . 17 ALA O 1 1 7 2317 1 1 18 PHE C C 10.738 -1.126 2.159 1.00 . A A . 18 PHE C 1 1 7 2318 1 1 18 PHE CA C 10.621 0.259 2.740 1.00 . A A . 18 PHE CA 1 1 7 2319 1 1 18 PHE CB C 9.561 0.304 3.858 1.00 . A A . 18 PHE CB 1 1 7 2320 1 1 18 PHE CD1 C 8.657 -1.774 4.922 1.00 . A A . 18 PHE CD1 1 1 7 2321 1 1 18 PHE CD2 C 10.744 -0.937 5.688 1.00 . A A . 18 PHE CD2 1 1 7 2322 1 1 18 PHE CE1 C 8.742 -2.820 5.809 1.00 . A A . 18 PHE CE1 1 1 7 2323 1 1 18 PHE CE2 C 10.834 -1.980 6.581 1.00 . A A . 18 PHE CE2 1 1 7 2324 1 1 18 PHE CG C 9.657 -0.820 4.850 1.00 . A A . 18 PHE CG 1 1 7 2325 1 1 18 PHE CZ C 9.832 -2.923 6.640 1.00 . A A . 18 PHE CZ 1 1 7 2326 1 1 18 PHE H H 9.323 1.292 1.503 1.00 . A A . 18 PHE H 1 1 7 2327 1 1 18 PHE HA H 11.575 0.551 3.151 1.00 . A A . 18 PHE HA 1 1 7 2328 1 1 18 PHE HB2 H 9.665 1.230 4.404 1.00 . A A . 18 PHE HB2 1 1 7 2329 1 1 18 PHE HB3 H 8.580 0.272 3.408 1.00 . A A . 18 PHE HB3 1 1 7 2330 1 1 18 PHE HD1 H 7.801 -1.694 4.269 1.00 . A A . 18 PHE HD1 1 1 7 2331 1 1 18 PHE HD2 H 11.529 -0.197 5.641 1.00 . A A . 18 PHE HD2 1 1 7 2332 1 1 18 PHE HE1 H 7.955 -3.558 5.852 1.00 . A A . 18 PHE HE1 1 1 7 2333 1 1 18 PHE HE2 H 11.691 -2.058 7.233 1.00 . A A . 18 PHE HE2 1 1 7 2334 1 1 18 PHE HZ H 9.903 -3.744 7.338 1.00 . A A . 18 PHE HZ 1 1 7 2335 1 1 18 PHE N N 10.280 1.180 1.700 1.00 . A A . 18 PHE N 1 1 7 2336 1 1 18 PHE O O 9.809 -1.628 1.539 1.00 . A A . 18 PHE O 1 1 7 2337 1 1 19 LYS C C 11.890 -4.044 2.939 1.00 . A A . 19 LYS C 1 1 7 2338 1 1 19 LYS CA C 12.132 -3.028 1.833 1.00 . A A . 19 LYS CA 1 1 7 2339 1 1 19 LYS CB C 13.584 -3.105 1.344 1.00 . A A . 19 LYS CB 1 1 7 2340 1 1 19 LYS CD C 13.167 -2.113 -0.958 1.00 . A A . 19 LYS CD 1 1 7 2341 1 1 19 LYS CE C 13.698 -1.151 -2.019 1.00 . A A . 19 LYS CE 1 1 7 2342 1 1 19 LYS CG C 13.985 -2.033 0.324 1.00 . A A . 19 LYS CG 1 1 7 2343 1 1 19 LYS H H 12.553 -1.294 2.904 1.00 . A A . 19 LYS H 1 1 7 2344 1 1 19 LYS HA H 11.464 -3.219 1.007 1.00 . A A . 19 LYS HA 1 1 7 2345 1 1 19 LYS HB2 H 14.240 -3.011 2.197 1.00 . A A . 19 LYS HB2 1 1 7 2346 1 1 19 LYS HB3 H 13.742 -4.073 0.893 1.00 . A A . 19 LYS HB3 1 1 7 2347 1 1 19 LYS HD2 H 13.214 -3.121 -1.341 1.00 . A A . 19 LYS HD2 1 1 7 2348 1 1 19 LYS HD3 H 12.141 -1.859 -0.734 1.00 . A A . 19 LYS HD3 1 1 7 2349 1 1 19 LYS HE2 H 14.732 -1.392 -2.217 1.00 . A A . 19 LYS HE2 1 1 7 2350 1 1 19 LYS HE3 H 13.124 -1.286 -2.924 1.00 . A A . 19 LYS HE3 1 1 7 2351 1 1 19 LYS HG2 H 13.828 -1.061 0.767 1.00 . A A . 19 LYS HG2 1 1 7 2352 1 1 19 LYS HG3 H 15.031 -2.146 0.083 1.00 . A A . 19 LYS HG3 1 1 7 2353 1 1 19 LYS HZ1 H 14.076 0.426 -0.685 1.00 . A A . 19 LYS HZ1 1 1 7 2354 1 1 19 LYS HZ2 H 12.634 0.613 -1.581 1.00 . A A . 19 LYS HZ2 1 1 7 2355 1 1 19 LYS HZ3 H 14.128 0.854 -2.301 1.00 . A A . 19 LYS HZ3 1 1 7 2356 1 1 19 LYS N N 11.866 -1.724 2.354 1.00 . A A . 19 LYS N 1 1 7 2357 1 1 19 LYS NZ N 13.618 0.272 -1.606 1.00 . A A . 19 LYS NZ 1 1 7 2358 1 1 19 LYS O O 10.874 -4.774 2.902 1.00 . A A . 19 LYS O 1 1 7 2359 1 1 19 LYS OXT O 12.687 -4.066 3.903 1.00 . A A . 19 LYS OXT 1 1 8 2360 1 1 1 PRO C C -14.757 3.957 2.333 1.00 . A A . 1 PRO C 1 1 8 2361 1 1 1 PRO CA C -15.978 4.291 3.136 1.00 . A A . 1 PRO CA 1 1 8 2362 1 1 1 PRO CB C -16.820 3.041 3.341 1.00 . A A . 1 PRO CB 1 1 8 2363 1 1 1 PRO CD C -18.129 4.666 2.144 1.00 . A A . 1 PRO CD 1 1 8 2364 1 1 1 PRO CG C -17.903 3.175 2.319 1.00 . A A . 1 PRO CG 1 1 8 2365 1 1 1 PRO H2 H -17.543 5.630 2.968 1.00 . A A . 1 PRO H2 1 1 8 2366 1 1 1 PRO H3 H -17.013 4.903 1.469 1.00 . A A . 1 PRO H3 1 1 8 2367 1 1 1 PRO HA H -15.692 4.695 4.094 1.00 . A A . 1 PRO HA 1 1 8 2368 1 1 1 PRO HB2 H -16.214 2.162 3.178 1.00 . A A . 1 PRO HB2 1 1 8 2369 1 1 1 PRO HB3 H -17.226 3.031 4.341 1.00 . A A . 1 PRO HB3 1 1 8 2370 1 1 1 PRO HD2 H -18.525 4.851 1.153 1.00 . A A . 1 PRO HD2 1 1 8 2371 1 1 1 PRO HD3 H -18.877 4.968 2.866 1.00 . A A . 1 PRO HD3 1 1 8 2372 1 1 1 PRO HG2 H -17.582 2.732 1.387 1.00 . A A . 1 PRO HG2 1 1 8 2373 1 1 1 PRO HG3 H -18.806 2.698 2.670 1.00 . A A . 1 PRO HG3 1 1 8 2374 1 1 1 PRO N N -16.758 5.258 2.406 1.00 . A A . 1 PRO N 1 1 8 2375 1 1 1 PRO O O -14.810 3.960 1.101 1.00 . A A . 1 PRO O 1 1 8 2376 1 1 2 MET C C -12.425 1.924 2.002 1.00 . A A . 2 MET C 1 1 8 2377 1 1 2 MET CA C -12.425 3.379 2.378 1.00 . A A . 2 MET CA 1 1 8 2378 1 1 2 MET CB C -11.243 3.656 3.314 1.00 . A A . 2 MET CB 1 1 8 2379 1 1 2 MET CE C -10.102 4.324 6.243 1.00 . A A . 2 MET CE 1 1 8 2380 1 1 2 MET CG C -11.111 5.104 3.763 1.00 . A A . 2 MET CG 1 1 8 2381 1 1 2 MET H H -13.704 3.715 3.995 1.00 . A A . 2 MET H 1 1 8 2382 1 1 2 MET HA H -12.319 3.985 1.492 1.00 . A A . 2 MET HA 1 1 8 2383 1 1 2 MET HB2 H -11.359 3.043 4.195 1.00 . A A . 2 MET HB2 1 1 8 2384 1 1 2 MET HB3 H -10.330 3.372 2.811 1.00 . A A . 2 MET HB3 1 1 8 2385 1 1 2 MET HE1 H -9.335 4.409 6.998 1.00 . A A . 2 MET HE1 1 1 8 2386 1 1 2 MET HE2 H -10.165 3.297 5.917 1.00 . A A . 2 MET HE2 1 1 8 2387 1 1 2 MET HE3 H -11.051 4.632 6.657 1.00 . A A . 2 MET HE3 1 1 8 2388 1 1 2 MET HG2 H -11.007 5.730 2.889 1.00 . A A . 2 MET HG2 1 1 8 2389 1 1 2 MET HG3 H -12.007 5.382 4.297 1.00 . A A . 2 MET HG3 1 1 8 2390 1 1 2 MET N N -13.670 3.703 3.013 1.00 . A A . 2 MET N 1 1 8 2391 1 1 2 MET O O -12.660 1.054 2.851 1.00 . A A . 2 MET O 1 1 8 2392 1 1 2 MET SD S -9.682 5.375 4.849 1.00 . A A . 2 MET SD 1 1 8 2393 1 1 3 ALA C C -10.711 -0.158 0.561 1.00 . A A . 3 ALA C 1 1 8 2394 1 1 3 ALA CA C -12.115 0.318 0.270 1.00 . A A . 3 ALA CA 1 1 8 2395 1 1 3 ALA CB C -12.405 0.261 -1.219 1.00 . A A . 3 ALA CB 1 1 8 2396 1 1 3 ALA H H -12.148 2.400 0.106 1.00 . A A . 3 ALA H 1 1 8 2397 1 1 3 ALA HA H -12.827 -0.296 0.800 1.00 . A A . 3 ALA HA 1 1 8 2398 1 1 3 ALA HB1 H -11.704 0.890 -1.747 1.00 . A A . 3 ALA HB1 1 1 8 2399 1 1 3 ALA HB2 H -13.410 0.607 -1.405 1.00 . A A . 3 ALA HB2 1 1 8 2400 1 1 3 ALA HB3 H -12.306 -0.755 -1.569 1.00 . A A . 3 ALA HB3 1 1 8 2401 1 1 3 ALA N N -12.229 1.662 0.746 1.00 . A A . 3 ALA N 1 1 8 2402 1 1 3 ALA O O -9.773 0.652 0.545 1.00 . A A . 3 ALA O 1 1 8 2403 1 1 4 LYS C C -8.231 -1.834 0.089 1.00 . A A . 4 LYS C 1 1 8 2404 1 1 4 LYS CA C -9.275 -2.060 1.171 1.00 . A A . 4 LYS CA 1 1 8 2405 1 1 4 LYS CB C -9.496 -3.534 1.345 1.00 . A A . 4 LYS CB 1 1 8 2406 1 1 4 LYS CD C -10.922 -5.312 2.257 1.00 . A A . 4 LYS CD 1 1 8 2407 1 1 4 LYS CE C -12.117 -5.678 3.110 1.00 . A A . 4 LYS CE 1 1 8 2408 1 1 4 LYS CG C -10.650 -3.852 2.264 1.00 . A A . 4 LYS CG 1 1 8 2409 1 1 4 LYS H H -11.314 -2.076 0.759 1.00 . A A . 4 LYS H 1 1 8 2410 1 1 4 LYS HA H -8.938 -1.645 2.107 1.00 . A A . 4 LYS HA 1 1 8 2411 1 1 4 LYS HB2 H -9.693 -3.976 0.379 1.00 . A A . 4 LYS HB2 1 1 8 2412 1 1 4 LYS HB3 H -8.603 -3.976 1.759 1.00 . A A . 4 LYS HB3 1 1 8 2413 1 1 4 LYS HD2 H -11.088 -5.629 1.238 1.00 . A A . 4 LYS HD2 1 1 8 2414 1 1 4 LYS HD3 H -10.028 -5.763 2.645 1.00 . A A . 4 LYS HD3 1 1 8 2415 1 1 4 LYS HE2 H -12.223 -6.751 3.098 1.00 . A A . 4 LYS HE2 1 1 8 2416 1 1 4 LYS HE3 H -11.944 -5.345 4.123 1.00 . A A . 4 LYS HE3 1 1 8 2417 1 1 4 LYS HG2 H -10.400 -3.546 3.269 1.00 . A A . 4 LYS HG2 1 1 8 2418 1 1 4 LYS HG3 H -11.532 -3.326 1.936 1.00 . A A . 4 LYS HG3 1 1 8 2419 1 1 4 LYS HZ1 H -14.175 -5.347 3.187 1.00 . A A . 4 LYS HZ1 1 1 8 2420 1 1 4 LYS HZ2 H -13.563 -5.363 1.624 1.00 . A A . 4 LYS HZ2 1 1 8 2421 1 1 4 LYS HZ3 H -13.302 -4.034 2.620 1.00 . A A . 4 LYS HZ3 1 1 8 2422 1 1 4 LYS N N -10.555 -1.451 0.809 1.00 . A A . 4 LYS N 1 1 8 2423 1 1 4 LYS NZ N -13.363 -5.074 2.601 1.00 . A A . 4 LYS NZ 1 1 8 2424 1 1 4 LYS O O -7.034 -1.838 0.357 1.00 . A A . 4 LYS O 1 1 8 2425 1 1 5 LEU C C -6.940 -0.211 -2.043 1.00 . A A . 5 LEU C 1 1 8 2426 1 1 5 LEU CA C -7.926 -1.369 -2.295 1.00 . A A . 5 LEU CA 1 1 8 2427 1 1 5 LEU CB C -8.911 -1.043 -3.449 1.00 . A A . 5 LEU CB 1 1 8 2428 1 1 5 LEU CD1 C -9.574 -0.966 -5.846 1.00 . A A . 5 LEU CD1 1 1 8 2429 1 1 5 LEU CD2 C -7.491 0.176 -5.171 1.00 . A A . 5 LEU CD2 1 1 8 2430 1 1 5 LEU CG C -8.392 -1.020 -4.899 1.00 . A A . 5 LEU CG 1 1 8 2431 1 1 5 LEU H H -9.690 -1.683 -1.214 1.00 . A A . 5 LEU H 1 1 8 2432 1 1 5 LEU HA H -7.379 -2.263 -2.552 1.00 . A A . 5 LEU HA 1 1 8 2433 1 1 5 LEU HB2 H -9.703 -1.775 -3.416 1.00 . A A . 5 LEU HB2 1 1 8 2434 1 1 5 LEU HB3 H -9.348 -0.079 -3.236 1.00 . A A . 5 LEU HB3 1 1 8 2435 1 1 5 LEU HD11 H -10.136 -0.061 -5.665 1.00 . A A . 5 LEU HD11 1 1 8 2436 1 1 5 LEU HD12 H -10.212 -1.821 -5.677 1.00 . A A . 5 LEU HD12 1 1 8 2437 1 1 5 LEU HD13 H -9.224 -0.974 -6.867 1.00 . A A . 5 LEU HD13 1 1 8 2438 1 1 5 LEU HD21 H -8.054 1.089 -5.040 1.00 . A A . 5 LEU HD21 1 1 8 2439 1 1 5 LEU HD22 H -7.108 0.122 -6.179 1.00 . A A . 5 LEU HD22 1 1 8 2440 1 1 5 LEU HD23 H -6.668 0.162 -4.474 1.00 . A A . 5 LEU HD23 1 1 8 2441 1 1 5 LEU HG H -7.842 -1.930 -5.085 1.00 . A A . 5 LEU HG 1 1 8 2442 1 1 5 LEU N N -8.715 -1.628 -1.116 1.00 . A A . 5 LEU N 1 1 8 2443 1 1 5 LEU O O -5.765 -0.317 -2.390 1.00 . A A . 5 LEU O 1 1 8 2444 1 1 6 LEU C C -5.392 1.776 -0.217 1.00 . A A . 6 LEU C 1 1 8 2445 1 1 6 LEU CA C -6.581 2.045 -1.164 1.00 . A A . 6 LEU CA 1 1 8 2446 1 1 6 LEU CB C -7.392 3.306 -0.742 1.00 . A A . 6 LEU CB 1 1 8 2447 1 1 6 LEU CD1 C -7.624 4.256 -3.083 1.00 . A A . 6 LEU CD1 1 1 8 2448 1 1 6 LEU CD2 C -9.572 3.067 -2.026 1.00 . A A . 6 LEU CD2 1 1 8 2449 1 1 6 LEU CG C -8.347 3.934 -1.780 1.00 . A A . 6 LEU CG 1 1 8 2450 1 1 6 LEU H H -8.323 0.825 -1.031 1.00 . A A . 6 LEU H 1 1 8 2451 1 1 6 LEU HA H -6.128 2.241 -2.125 1.00 . A A . 6 LEU HA 1 1 8 2452 1 1 6 LEU HB2 H -7.996 3.046 0.114 1.00 . A A . 6 LEU HB2 1 1 8 2453 1 1 6 LEU HB3 H -6.686 4.065 -0.436 1.00 . A A . 6 LEU HB3 1 1 8 2454 1 1 6 LEU HD11 H -8.315 4.722 -3.769 1.00 . A A . 6 LEU HD11 1 1 8 2455 1 1 6 LEU HD12 H -7.250 3.344 -3.524 1.00 . A A . 6 LEU HD12 1 1 8 2456 1 1 6 LEU HD13 H -6.801 4.927 -2.886 1.00 . A A . 6 LEU HD13 1 1 8 2457 1 1 6 LEU HD21 H -9.260 2.102 -2.399 1.00 . A A . 6 LEU HD21 1 1 8 2458 1 1 6 LEU HD22 H -10.209 3.547 -2.752 1.00 . A A . 6 LEU HD22 1 1 8 2459 1 1 6 LEU HD23 H -10.114 2.938 -1.101 1.00 . A A . 6 LEU HD23 1 1 8 2460 1 1 6 LEU HG H -8.678 4.882 -1.382 1.00 . A A . 6 LEU HG 1 1 8 2461 1 1 6 LEU N N -7.412 0.856 -1.395 1.00 . A A . 6 LEU N 1 1 8 2462 1 1 6 LEU O O -4.254 2.041 -0.603 1.00 . A A . 6 LEU O 1 1 8 2463 1 1 7 PRO C C -3.528 -0.100 1.271 1.00 . A A . 7 PRO C 1 1 8 2464 1 1 7 PRO CA C -4.499 0.885 1.935 1.00 . A A . 7 PRO CA 1 1 8 2465 1 1 7 PRO CB C -5.196 0.222 3.121 1.00 . A A . 7 PRO CB 1 1 8 2466 1 1 7 PRO CD C -6.917 1.036 1.707 1.00 . A A . 7 PRO CD 1 1 8 2467 1 1 7 PRO CG C -6.550 0.817 3.140 1.00 . A A . 7 PRO CG 1 1 8 2468 1 1 7 PRO HA H -3.955 1.759 2.261 1.00 . A A . 7 PRO HA 1 1 8 2469 1 1 7 PRO HB2 H -5.233 -0.845 2.960 1.00 . A A . 7 PRO HB2 1 1 8 2470 1 1 7 PRO HB3 H -4.656 0.440 4.031 1.00 . A A . 7 PRO HB3 1 1 8 2471 1 1 7 PRO HD2 H -7.419 0.167 1.306 1.00 . A A . 7 PRO HD2 1 1 8 2472 1 1 7 PRO HD3 H -7.542 1.910 1.621 1.00 . A A . 7 PRO HD3 1 1 8 2473 1 1 7 PRO HG2 H -7.247 0.138 3.609 1.00 . A A . 7 PRO HG2 1 1 8 2474 1 1 7 PRO HG3 H -6.531 1.758 3.668 1.00 . A A . 7 PRO HG3 1 1 8 2475 1 1 7 PRO N N -5.611 1.249 1.038 1.00 . A A . 7 PRO N 1 1 8 2476 1 1 7 PRO O O -2.324 -0.021 1.477 1.00 . A A . 7 PRO O 1 1 8 2477 1 1 8 ARG C C -2.312 -1.239 -1.263 1.00 . A A . 8 ARG C 1 1 8 2478 1 1 8 ARG CA C -3.252 -1.959 -0.296 1.00 . A A . 8 ARG CA 1 1 8 2479 1 1 8 ARG CB C -4.133 -2.956 -1.043 1.00 . A A . 8 ARG CB 1 1 8 2480 1 1 8 ARG CD C -5.842 -4.789 -0.932 1.00 . A A . 8 ARG CD 1 1 8 2481 1 1 8 ARG CG C -4.848 -3.953 -0.142 1.00 . A A . 8 ARG CG 1 1 8 2482 1 1 8 ARG CZ C -5.868 -5.750 -3.230 1.00 . A A . 8 ARG CZ 1 1 8 2483 1 1 8 ARG H H -5.045 -1.017 0.357 1.00 . A A . 8 ARG H 1 1 8 2484 1 1 8 ARG HA H -2.650 -2.493 0.424 1.00 . A A . 8 ARG HA 1 1 8 2485 1 1 8 ARG HB2 H -4.879 -2.407 -1.597 1.00 . A A . 8 ARG HB2 1 1 8 2486 1 1 8 ARG HB3 H -3.519 -3.506 -1.739 1.00 . A A . 8 ARG HB3 1 1 8 2487 1 1 8 ARG HD2 H -6.232 -5.557 -0.282 1.00 . A A . 8 ARG HD2 1 1 8 2488 1 1 8 ARG HD3 H -6.650 -4.154 -1.265 1.00 . A A . 8 ARG HD3 1 1 8 2489 1 1 8 ARG HE H -4.255 -5.576 -2.022 1.00 . A A . 8 ARG HE 1 1 8 2490 1 1 8 ARG HG2 H -4.126 -4.605 0.323 1.00 . A A . 8 ARG HG2 1 1 8 2491 1 1 8 ARG HG3 H -5.381 -3.406 0.622 1.00 . A A . 8 ARG HG3 1 1 8 2492 1 1 8 ARG HH11 H -7.760 -5.370 -2.524 1.00 . A A . 8 ARG HH11 1 1 8 2493 1 1 8 ARG HH12 H -7.700 -5.884 -4.135 1.00 . A A . 8 ARG HH12 1 1 8 2494 1 1 8 ARG HH21 H -4.189 -6.333 -4.218 1.00 . A A . 8 ARG HH21 1 1 8 2495 1 1 8 ARG HH22 H -5.622 -6.447 -5.141 1.00 . A A . 8 ARG HH22 1 1 8 2496 1 1 8 ARG N N -4.067 -1.002 0.452 1.00 . A A . 8 ARG N 1 1 8 2497 1 1 8 ARG NE N -5.223 -5.429 -2.101 1.00 . A A . 8 ARG NE 1 1 8 2498 1 1 8 ARG NH1 N -7.192 -5.663 -3.299 1.00 . A A . 8 ARG NH1 1 1 8 2499 1 1 8 ARG NH2 N -5.183 -6.215 -4.269 1.00 . A A . 8 ARG NH2 1 1 8 2500 1 1 8 ARG O O -1.128 -1.571 -1.349 1.00 . A A . 8 ARG O 1 1 8 2501 1 1 9 ILE C C -0.955 1.299 -2.080 1.00 . A A . 9 ILE C 1 1 8 2502 1 1 9 ILE CA C -2.032 0.583 -2.877 1.00 . A A . 9 ILE CA 1 1 8 2503 1 1 9 ILE CB C -2.896 1.640 -3.647 1.00 . A A . 9 ILE CB 1 1 8 2504 1 1 9 ILE CD1 C -3.327 0.057 -5.619 1.00 . A A . 9 ILE CD1 1 1 8 2505 1 1 9 ILE CG1 C -3.925 0.955 -4.555 1.00 . A A . 9 ILE CG1 1 1 8 2506 1 1 9 ILE CG2 C -2.026 2.611 -4.458 1.00 . A A . 9 ILE CG2 1 1 8 2507 1 1 9 ILE H H -3.801 -0.051 -1.879 1.00 . A A . 9 ILE H 1 1 8 2508 1 1 9 ILE HA H -1.553 -0.073 -3.588 1.00 . A A . 9 ILE HA 1 1 8 2509 1 1 9 ILE HB H -3.424 2.222 -2.907 1.00 . A A . 9 ILE HB 1 1 8 2510 1 1 9 ILE HD11 H -2.671 0.643 -6.244 1.00 . A A . 9 ILE HD11 1 1 8 2511 1 1 9 ILE HD12 H -4.121 -0.357 -6.222 1.00 . A A . 9 ILE HD12 1 1 8 2512 1 1 9 ILE HD13 H -2.771 -0.745 -5.158 1.00 . A A . 9 ILE HD13 1 1 8 2513 1 1 9 ILE HG12 H -4.570 0.342 -3.943 1.00 . A A . 9 ILE HG12 1 1 8 2514 1 1 9 ILE HG13 H -4.519 1.711 -5.048 1.00 . A A . 9 ILE HG13 1 1 8 2515 1 1 9 ILE HG21 H -1.353 3.132 -3.794 1.00 . A A . 9 ILE HG21 1 1 8 2516 1 1 9 ILE HG22 H -2.661 3.327 -4.960 1.00 . A A . 9 ILE HG22 1 1 8 2517 1 1 9 ILE HG23 H -1.458 2.060 -5.192 1.00 . A A . 9 ILE HG23 1 1 8 2518 1 1 9 ILE N N -2.840 -0.239 -1.970 1.00 . A A . 9 ILE N 1 1 8 2519 1 1 9 ILE O O 0.223 1.316 -2.469 1.00 . A A . 9 ILE O 1 1 8 2520 1 1 10 LYS C C 0.662 1.642 0.449 1.00 . A A . 10 LYS C 1 1 8 2521 1 1 10 LYS CA C -0.443 2.555 -0.062 1.00 . A A . 10 LYS CA 1 1 8 2522 1 1 10 LYS CB C -1.196 3.215 1.091 1.00 . A A . 10 LYS CB 1 1 8 2523 1 1 10 LYS CD C -2.900 4.932 1.772 1.00 . A A . 10 LYS CD 1 1 8 2524 1 1 10 LYS CE C -3.927 5.915 1.252 1.00 . A A . 10 LYS CE 1 1 8 2525 1 1 10 LYS CG C -2.206 4.242 0.620 1.00 . A A . 10 LYS CG 1 1 8 2526 1 1 10 LYS H H -2.303 1.761 -0.698 1.00 . A A . 10 LYS H 1 1 8 2527 1 1 10 LYS HA H 0.022 3.328 -0.657 1.00 . A A . 10 LYS HA 1 1 8 2528 1 1 10 LYS HB2 H -1.717 2.450 1.647 1.00 . A A . 10 LYS HB2 1 1 8 2529 1 1 10 LYS HB3 H -0.491 3.705 1.744 1.00 . A A . 10 LYS HB3 1 1 8 2530 1 1 10 LYS HD2 H -3.393 4.192 2.387 1.00 . A A . 10 LYS HD2 1 1 8 2531 1 1 10 LYS HD3 H -2.166 5.464 2.358 1.00 . A A . 10 LYS HD3 1 1 8 2532 1 1 10 LYS HE2 H -3.426 6.609 0.594 1.00 . A A . 10 LYS HE2 1 1 8 2533 1 1 10 LYS HE3 H -4.676 5.372 0.693 1.00 . A A . 10 LYS HE3 1 1 8 2534 1 1 10 LYS HG2 H -1.697 4.987 0.027 1.00 . A A . 10 LYS HG2 1 1 8 2535 1 1 10 LYS HG3 H -2.945 3.745 0.009 1.00 . A A . 10 LYS HG3 1 1 8 2536 1 1 10 LYS HZ1 H -3.897 7.277 2.829 1.00 . A A . 10 LYS HZ1 1 1 8 2537 1 1 10 LYS HZ2 H -5.001 6.022 3.026 1.00 . A A . 10 LYS HZ2 1 1 8 2538 1 1 10 LYS HZ3 H -5.339 7.271 1.943 1.00 . A A . 10 LYS HZ3 1 1 8 2539 1 1 10 LYS N N -1.353 1.842 -0.942 1.00 . A A . 10 LYS N 1 1 8 2540 1 1 10 LYS NZ N -4.582 6.674 2.333 1.00 . A A . 10 LYS NZ 1 1 8 2541 1 1 10 LYS O O 1.819 2.040 0.510 1.00 . A A . 10 LYS O 1 1 8 2542 1 1 11 LYS C C 2.270 -0.943 0.082 1.00 . A A . 11 LYS C 1 1 8 2543 1 1 11 LYS CA C 1.312 -0.559 1.195 1.00 . A A . 11 LYS CA 1 1 8 2544 1 1 11 LYS CB C 0.701 -1.798 1.841 1.00 . A A . 11 LYS CB 1 1 8 2545 1 1 11 LYS CD C -0.288 -2.810 3.934 1.00 . A A . 11 LYS CD 1 1 8 2546 1 1 11 LYS CE C 0.949 -3.678 4.175 1.00 . A A . 11 LYS CE 1 1 8 2547 1 1 11 LYS CG C 0.068 -1.526 3.192 1.00 . A A . 11 LYS CG 1 1 8 2548 1 1 11 LYS H H -0.629 0.147 0.728 1.00 . A A . 11 LYS H 1 1 8 2549 1 1 11 LYS HA H 1.896 -0.044 1.943 1.00 . A A . 11 LYS HA 1 1 8 2550 1 1 11 LYS HB2 H -0.057 -2.195 1.181 1.00 . A A . 11 LYS HB2 1 1 8 2551 1 1 11 LYS HB3 H 1.479 -2.534 1.968 1.00 . A A . 11 LYS HB3 1 1 8 2552 1 1 11 LYS HD2 H -0.731 -2.557 4.886 1.00 . A A . 11 LYS HD2 1 1 8 2553 1 1 11 LYS HD3 H -1.001 -3.367 3.344 1.00 . A A . 11 LYS HD3 1 1 8 2554 1 1 11 LYS HE2 H 1.263 -4.109 3.235 1.00 . A A . 11 LYS HE2 1 1 8 2555 1 1 11 LYS HE3 H 1.741 -3.061 4.570 1.00 . A A . 11 LYS HE3 1 1 8 2556 1 1 11 LYS HG2 H 0.764 -0.962 3.794 1.00 . A A . 11 LYS HG2 1 1 8 2557 1 1 11 LYS HG3 H -0.829 -0.945 3.042 1.00 . A A . 11 LYS HG3 1 1 8 2558 1 1 11 LYS HZ1 H -0.135 -5.338 4.786 1.00 . A A . 11 LYS HZ1 1 1 8 2559 1 1 11 LYS HZ2 H 0.471 -4.403 6.057 1.00 . A A . 11 LYS HZ2 1 1 8 2560 1 1 11 LYS HZ3 H 1.499 -5.415 5.183 1.00 . A A . 11 LYS HZ3 1 1 8 2561 1 1 11 LYS N N 0.321 0.405 0.761 1.00 . A A . 11 LYS N 1 1 8 2562 1 1 11 LYS NZ N 0.678 -4.781 5.109 1.00 . A A . 11 LYS NZ 1 1 8 2563 1 1 11 LYS O O 3.380 -1.381 0.347 1.00 . A A . 11 LYS O 1 1 8 2564 1 1 12 LYS C C 3.699 0.124 -2.455 1.00 . A A . 12 LYS C 1 1 8 2565 1 1 12 LYS CA C 2.743 -1.039 -2.273 1.00 . A A . 12 LYS CA 1 1 8 2566 1 1 12 LYS CB C 1.968 -1.313 -3.551 1.00 . A A . 12 LYS CB 1 1 8 2567 1 1 12 LYS CD C 1.814 -3.766 -3.050 1.00 . A A . 12 LYS CD 1 1 8 2568 1 1 12 LYS CE C 0.918 -4.982 -3.032 1.00 . A A . 12 LYS CE 1 1 8 2569 1 1 12 LYS CG C 1.050 -2.518 -3.461 1.00 . A A . 12 LYS CG 1 1 8 2570 1 1 12 LYS H H 0.927 -0.504 -1.315 1.00 . A A . 12 LYS H 1 1 8 2571 1 1 12 LYS HA H 3.334 -1.906 -2.019 1.00 . A A . 12 LYS HA 1 1 8 2572 1 1 12 LYS HB2 H 1.364 -0.445 -3.769 1.00 . A A . 12 LYS HB2 1 1 8 2573 1 1 12 LYS HB3 H 2.665 -1.471 -4.360 1.00 . A A . 12 LYS HB3 1 1 8 2574 1 1 12 LYS HD2 H 2.622 -3.938 -3.745 1.00 . A A . 12 LYS HD2 1 1 8 2575 1 1 12 LYS HD3 H 2.218 -3.618 -2.058 1.00 . A A . 12 LYS HD3 1 1 8 2576 1 1 12 LYS HE2 H 1.489 -5.826 -2.679 1.00 . A A . 12 LYS HE2 1 1 8 2577 1 1 12 LYS HE3 H 0.099 -4.795 -2.352 1.00 . A A . 12 LYS HE3 1 1 8 2578 1 1 12 LYS HG2 H 0.286 -2.318 -2.726 1.00 . A A . 12 LYS HG2 1 1 8 2579 1 1 12 LYS HG3 H 0.587 -2.684 -4.422 1.00 . A A . 12 LYS HG3 1 1 8 2580 1 1 12 LYS HZ1 H -0.202 -6.142 -4.367 1.00 . A A . 12 LYS HZ1 1 1 8 2581 1 1 12 LYS HZ2 H 1.140 -5.420 -5.062 1.00 . A A . 12 LYS HZ2 1 1 8 2582 1 1 12 LYS HZ3 H -0.215 -4.499 -4.722 1.00 . A A . 12 LYS HZ3 1 1 8 2583 1 1 12 LYS N N 1.855 -0.781 -1.153 1.00 . A A . 12 LYS N 1 1 8 2584 1 1 12 LYS NZ N 0.376 -5.278 -4.371 1.00 . A A . 12 LYS NZ 1 1 8 2585 1 1 12 LYS O O 4.840 -0.048 -2.884 1.00 . A A . 12 LYS O 1 1 8 2586 1 1 13 ILE C C 5.069 2.355 -0.967 1.00 . A A . 13 ILE C 1 1 8 2587 1 1 13 ILE CA C 4.069 2.495 -2.109 1.00 . A A . 13 ILE CA 1 1 8 2588 1 1 13 ILE CB C 3.220 3.790 -1.920 1.00 . A A . 13 ILE CB 1 1 8 2589 1 1 13 ILE CD1 C 2.672 3.929 -4.442 1.00 . A A . 13 ILE CD1 1 1 8 2590 1 1 13 ILE CG1 C 2.138 3.907 -3.016 1.00 . A A . 13 ILE CG1 1 1 8 2591 1 1 13 ILE CG2 C 4.101 5.041 -1.892 1.00 . A A . 13 ILE CG2 1 1 8 2592 1 1 13 ILE H H 2.289 1.384 -1.842 1.00 . A A . 13 ILE H 1 1 8 2593 1 1 13 ILE HA H 4.604 2.537 -3.046 1.00 . A A . 13 ILE HA 1 1 8 2594 1 1 13 ILE HB H 2.728 3.718 -0.960 1.00 . A A . 13 ILE HB 1 1 8 2595 1 1 13 ILE HD11 H 3.200 3.009 -4.645 1.00 . A A . 13 ILE HD11 1 1 8 2596 1 1 13 ILE HD12 H 3.348 4.763 -4.559 1.00 . A A . 13 ILE HD12 1 1 8 2597 1 1 13 ILE HD13 H 1.850 4.034 -5.132 1.00 . A A . 13 ILE HD13 1 1 8 2598 1 1 13 ILE HG12 H 1.467 3.065 -2.937 1.00 . A A . 13 ILE HG12 1 1 8 2599 1 1 13 ILE HG13 H 1.576 4.816 -2.855 1.00 . A A . 13 ILE HG13 1 1 8 2600 1 1 13 ILE HG21 H 4.637 5.124 -2.827 1.00 . A A . 13 ILE HG21 1 1 8 2601 1 1 13 ILE HG22 H 4.808 4.966 -1.078 1.00 . A A . 13 ILE HG22 1 1 8 2602 1 1 13 ILE HG23 H 3.483 5.916 -1.752 1.00 . A A . 13 ILE HG23 1 1 8 2603 1 1 13 ILE N N 3.233 1.307 -2.104 1.00 . A A . 13 ILE N 1 1 8 2604 1 1 13 ILE O O 6.252 2.640 -1.111 1.00 . A A . 13 ILE O 1 1 8 2605 1 1 14 LEU C C 6.420 0.489 0.999 1.00 . A A . 14 LEU C 1 1 8 2606 1 1 14 LEU CA C 5.377 1.560 1.326 1.00 . A A . 14 LEU CA 1 1 8 2607 1 1 14 LEU CB C 4.467 1.086 2.464 1.00 . A A . 14 LEU CB 1 1 8 2608 1 1 14 LEU CD1 C 5.767 2.033 4.394 1.00 . A A . 14 LEU CD1 1 1 8 2609 1 1 14 LEU CD2 C 4.125 0.190 4.768 1.00 . A A . 14 LEU CD2 1 1 8 2610 1 1 14 LEU CG C 5.133 0.785 3.805 1.00 . A A . 14 LEU CG 1 1 8 2611 1 1 14 LEU H H 3.600 1.697 0.192 1.00 . A A . 14 LEU H 1 1 8 2612 1 1 14 LEU HA H 5.878 2.469 1.627 1.00 . A A . 14 LEU HA 1 1 8 2613 1 1 14 LEU HB2 H 3.709 1.838 2.628 1.00 . A A . 14 LEU HB2 1 1 8 2614 1 1 14 LEU HB3 H 3.978 0.185 2.127 1.00 . A A . 14 LEU HB3 1 1 8 2615 1 1 14 LEU HD11 H 5.012 2.792 4.533 1.00 . A A . 14 LEU HD11 1 1 8 2616 1 1 14 LEU HD12 H 6.535 2.400 3.729 1.00 . A A . 14 LEU HD12 1 1 8 2617 1 1 14 LEU HD13 H 6.207 1.787 5.348 1.00 . A A . 14 LEU HD13 1 1 8 2618 1 1 14 LEU HD21 H 3.321 0.895 4.923 1.00 . A A . 14 LEU HD21 1 1 8 2619 1 1 14 LEU HD22 H 4.610 -0.018 5.709 1.00 . A A . 14 LEU HD22 1 1 8 2620 1 1 14 LEU HD23 H 3.727 -0.725 4.357 1.00 . A A . 14 LEU HD23 1 1 8 2621 1 1 14 LEU HG H 5.917 0.059 3.647 1.00 . A A . 14 LEU HG 1 1 8 2622 1 1 14 LEU N N 4.572 1.847 0.149 1.00 . A A . 14 LEU N 1 1 8 2623 1 1 14 LEU O O 7.553 0.550 1.457 1.00 . A A . 14 LEU O 1 1 8 2624 1 1 15 ALA C C 8.023 -1.003 -1.171 1.00 . A A . 15 ALA C 1 1 8 2625 1 1 15 ALA CA C 6.916 -1.540 -0.274 1.00 . A A . 15 ALA CA 1 1 8 2626 1 1 15 ALA CB C 6.126 -2.616 -1.002 1.00 . A A . 15 ALA CB 1 1 8 2627 1 1 15 ALA H H 5.099 -0.460 -0.140 1.00 . A A . 15 ALA H 1 1 8 2628 1 1 15 ALA HA H 7.364 -1.978 0.605 1.00 . A A . 15 ALA HA 1 1 8 2629 1 1 15 ALA HB1 H 5.356 -3.003 -0.352 1.00 . A A . 15 ALA HB1 1 1 8 2630 1 1 15 ALA HB2 H 6.790 -3.415 -1.298 1.00 . A A . 15 ALA HB2 1 1 8 2631 1 1 15 ALA HB3 H 5.670 -2.187 -1.882 1.00 . A A . 15 ALA HB3 1 1 8 2632 1 1 15 ALA N N 6.031 -0.464 0.165 1.00 . A A . 15 ALA N 1 1 8 2633 1 1 15 ALA O O 9.080 -1.615 -1.314 1.00 . A A . 15 ALA O 1 1 8 2634 1 1 16 ALA C C 9.641 1.669 -1.755 1.00 . A A . 16 ALA C 1 1 8 2635 1 1 16 ALA CA C 8.752 0.780 -2.610 1.00 . A A . 16 ALA CA 1 1 8 2636 1 1 16 ALA CB C 8.061 1.595 -3.685 1.00 . A A . 16 ALA CB 1 1 8 2637 1 1 16 ALA H H 6.894 0.548 -1.663 1.00 . A A . 16 ALA H 1 1 8 2638 1 1 16 ALA HA H 9.355 0.017 -3.082 1.00 . A A . 16 ALA HA 1 1 8 2639 1 1 16 ALA HB1 H 7.422 0.953 -4.273 1.00 . A A . 16 ALA HB1 1 1 8 2640 1 1 16 ALA HB2 H 8.804 2.048 -4.324 1.00 . A A . 16 ALA HB2 1 1 8 2641 1 1 16 ALA HB3 H 7.465 2.369 -3.222 1.00 . A A . 16 ALA HB3 1 1 8 2642 1 1 16 ALA N N 7.774 0.131 -1.776 1.00 . A A . 16 ALA N 1 1 8 2643 1 1 16 ALA O O 10.787 1.953 -2.105 1.00 . A A . 16 ALA O 1 1 8 2644 1 1 17 ALA C C 10.770 2.126 1.135 1.00 . A A . 17 ALA C 1 1 8 2645 1 1 17 ALA CA C 9.808 2.955 0.294 1.00 . A A . 17 ALA CA 1 1 8 2646 1 1 17 ALA CB C 8.818 3.693 1.182 1.00 . A A . 17 ALA CB 1 1 8 2647 1 1 17 ALA H H 8.170 1.858 -0.446 1.00 . A A . 17 ALA H 1 1 8 2648 1 1 17 ALA HA H 10.371 3.682 -0.273 1.00 . A A . 17 ALA HA 1 1 8 2649 1 1 17 ALA HB1 H 8.248 2.978 1.755 1.00 . A A . 17 ALA HB1 1 1 8 2650 1 1 17 ALA HB2 H 8.149 4.280 0.570 1.00 . A A . 17 ALA HB2 1 1 8 2651 1 1 17 ALA HB3 H 9.356 4.342 1.855 1.00 . A A . 17 ALA HB3 1 1 8 2652 1 1 17 ALA N N 9.099 2.109 -0.637 1.00 . A A . 17 ALA N 1 1 8 2653 1 1 17 ALA O O 11.943 2.495 1.300 1.00 . A A . 17 ALA O 1 1 8 2654 1 1 18 PHE C C 11.905 -0.735 1.459 1.00 . A A . 18 PHE C 1 1 8 2655 1 1 18 PHE CA C 11.084 0.093 2.422 1.00 . A A . 18 PHE CA 1 1 8 2656 1 1 18 PHE CB C 10.193 -0.800 3.293 1.00 . A A . 18 PHE CB 1 1 8 2657 1 1 18 PHE CD1 C 11.013 -3.093 3.931 1.00 . A A . 18 PHE CD1 1 1 8 2658 1 1 18 PHE CD2 C 11.584 -1.262 5.333 1.00 . A A . 18 PHE CD2 1 1 8 2659 1 1 18 PHE CE1 C 11.699 -3.950 4.768 1.00 . A A . 18 PHE CE1 1 1 8 2660 1 1 18 PHE CE2 C 12.273 -2.115 6.172 1.00 . A A . 18 PHE CE2 1 1 8 2661 1 1 18 PHE CG C 10.946 -1.739 4.204 1.00 . A A . 18 PHE CG 1 1 8 2662 1 1 18 PHE CZ C 12.330 -3.460 5.889 1.00 . A A . 18 PHE CZ 1 1 8 2663 1 1 18 PHE H H 9.332 0.783 1.498 1.00 . A A . 18 PHE H 1 1 8 2664 1 1 18 PHE HA H 11.747 0.672 3.047 1.00 . A A . 18 PHE HA 1 1 8 2665 1 1 18 PHE HB2 H 9.572 -0.170 3.913 1.00 . A A . 18 PHE HB2 1 1 8 2666 1 1 18 PHE HB3 H 9.558 -1.391 2.650 1.00 . A A . 18 PHE HB3 1 1 8 2667 1 1 18 PHE HD1 H 10.522 -3.485 3.052 1.00 . A A . 18 PHE HD1 1 1 8 2668 1 1 18 PHE HD2 H 11.542 -0.207 5.558 1.00 . A A . 18 PHE HD2 1 1 8 2669 1 1 18 PHE HE1 H 11.744 -5.004 4.543 1.00 . A A . 18 PHE HE1 1 1 8 2670 1 1 18 PHE HE2 H 12.766 -1.727 7.051 1.00 . A A . 18 PHE HE2 1 1 8 2671 1 1 18 PHE HZ H 12.868 -4.130 6.545 1.00 . A A . 18 PHE HZ 1 1 8 2672 1 1 18 PHE N N 10.279 1.011 1.647 1.00 . A A . 18 PHE N 1 1 8 2673 1 1 18 PHE O O 11.363 -1.465 0.622 1.00 . A A . 18 PHE O 1 1 8 2674 1 1 19 LYS C C 15.102 -2.014 1.388 1.00 . A A . 19 LYS C 1 1 8 2675 1 1 19 LYS CA C 14.072 -1.221 0.621 1.00 . A A . 19 LYS CA 1 1 8 2676 1 1 19 LYS CB C 14.727 -0.144 -0.257 1.00 . A A . 19 LYS CB 1 1 8 2677 1 1 19 LYS CD C 14.348 1.837 -1.823 1.00 . A A . 19 LYS CD 1 1 8 2678 1 1 19 LYS CE C 15.081 2.849 -0.950 1.00 . A A . 19 LYS CE 1 1 8 2679 1 1 19 LYS CG C 13.706 0.721 -1.012 1.00 . A A . 19 LYS CG 1 1 8 2680 1 1 19 LYS H H 13.580 -0.078 2.280 1.00 . A A . 19 LYS H 1 1 8 2681 1 1 19 LYS HA H 13.499 -1.886 -0.008 1.00 . A A . 19 LYS HA 1 1 8 2682 1 1 19 LYS HB2 H 15.325 0.493 0.376 1.00 . A A . 19 LYS HB2 1 1 8 2683 1 1 19 LYS HB3 H 15.366 -0.629 -0.979 1.00 . A A . 19 LYS HB3 1 1 8 2684 1 1 19 LYS HD2 H 15.031 1.418 -2.543 1.00 . A A . 19 LYS HD2 1 1 8 2685 1 1 19 LYS HD3 H 13.561 2.351 -2.356 1.00 . A A . 19 LYS HD3 1 1 8 2686 1 1 19 LYS HE2 H 15.810 2.341 -0.338 1.00 . A A . 19 LYS HE2 1 1 8 2687 1 1 19 LYS HE3 H 15.591 3.542 -1.602 1.00 . A A . 19 LYS HE3 1 1 8 2688 1 1 19 LYS HG2 H 13.148 0.089 -1.684 1.00 . A A . 19 LYS HG2 1 1 8 2689 1 1 19 LYS HG3 H 13.028 1.152 -0.291 1.00 . A A . 19 LYS HG3 1 1 8 2690 1 1 19 LYS HZ1 H 13.586 2.995 0.541 1.00 . A A . 19 LYS HZ1 1 1 8 2691 1 1 19 LYS HZ2 H 13.523 4.199 -0.647 1.00 . A A . 19 LYS HZ2 1 1 8 2692 1 1 19 LYS HZ3 H 14.702 4.255 0.530 1.00 . A A . 19 LYS HZ3 1 1 8 2693 1 1 19 LYS N N 13.186 -0.596 1.545 1.00 . A A . 19 LYS N 1 1 8 2694 1 1 19 LYS NZ N 14.159 3.608 -0.077 1.00 . A A . 19 LYS NZ 1 1 8 2695 1 1 19 LYS O O 14.874 -3.214 1.635 1.00 . A A . 19 LYS O 1 1 8 2696 1 1 19 LYS OXT O 16.124 -1.445 1.790 1.00 . A A . 19 LYS OXT 1 1 9 2697 1 1 1 PRO C C -12.888 4.455 2.800 1.00 . A A . 1 PRO C 1 1 9 2698 1 1 1 PRO CA C -13.608 5.779 2.762 1.00 . A A . 1 PRO CA 1 1 9 2699 1 1 1 PRO CB C -15.028 5.589 2.228 1.00 . A A . 1 PRO CB 1 1 9 2700 1 1 1 PRO CD C -13.917 7.363 1.025 1.00 . A A . 1 PRO CD 1 1 9 2701 1 1 1 PRO CG C -15.052 6.364 0.950 1.00 . A A . 1 PRO CG 1 1 9 2702 1 1 1 PRO H2 H -12.972 6.392 0.879 1.00 . A A . 1 PRO H2 1 1 9 2703 1 1 1 PRO H3 H -11.899 6.443 2.089 1.00 . A A . 1 PRO H3 1 1 9 2704 1 1 1 PRO HA H -13.645 6.207 3.752 1.00 . A A . 1 PRO HA 1 1 9 2705 1 1 1 PRO HB2 H -15.209 4.538 2.060 1.00 . A A . 1 PRO HB2 1 1 9 2706 1 1 1 PRO HB3 H -15.751 5.972 2.933 1.00 . A A . 1 PRO HB3 1 1 9 2707 1 1 1 PRO HD2 H -13.571 7.606 0.028 1.00 . A A . 1 PRO HD2 1 1 9 2708 1 1 1 PRO HD3 H -14.301 8.257 1.495 1.00 . A A . 1 PRO HD3 1 1 9 2709 1 1 1 PRO HG2 H -14.908 5.696 0.113 1.00 . A A . 1 PRO HG2 1 1 9 2710 1 1 1 PRO HG3 H -15.997 6.878 0.857 1.00 . A A . 1 PRO HG3 1 1 9 2711 1 1 1 PRO N N -12.894 6.668 1.874 1.00 . A A . 1 PRO N 1 1 9 2712 1 1 1 PRO O O -11.754 4.366 2.328 1.00 . A A . 1 PRO O 1 1 9 2713 1 1 2 MET C C -13.021 1.369 2.153 1.00 . A A . 2 MET C 1 1 9 2714 1 1 2 MET CA C -12.901 2.130 3.458 1.00 . A A . 2 MET CA 1 1 9 2715 1 1 2 MET CB C -13.487 1.293 4.600 1.00 . A A . 2 MET CB 1 1 9 2716 1 1 2 MET CE C -13.124 -0.693 7.081 1.00 . A A . 2 MET CE 1 1 9 2717 1 1 2 MET CG C -13.285 1.873 5.987 1.00 . A A . 2 MET CG 1 1 9 2718 1 1 2 MET H H -14.423 3.551 3.724 1.00 . A A . 2 MET H 1 1 9 2719 1 1 2 MET HA H -11.852 2.294 3.657 1.00 . A A . 2 MET HA 1 1 9 2720 1 1 2 MET HB2 H -14.547 1.175 4.434 1.00 . A A . 2 MET HB2 1 1 9 2721 1 1 2 MET HB3 H -13.026 0.317 4.569 1.00 . A A . 2 MET HB3 1 1 9 2722 1 1 2 MET HE1 H -12.066 -0.509 7.194 1.00 . A A . 2 MET HE1 1 1 9 2723 1 1 2 MET HE2 H -13.321 -1.107 6.104 1.00 . A A . 2 MET HE2 1 1 9 2724 1 1 2 MET HE3 H -13.446 -1.395 7.836 1.00 . A A . 2 MET HE3 1 1 9 2725 1 1 2 MET HG2 H -12.225 1.955 6.176 1.00 . A A . 2 MET HG2 1 1 9 2726 1 1 2 MET HG3 H -13.731 2.856 6.021 1.00 . A A . 2 MET HG3 1 1 9 2727 1 1 2 MET N N -13.517 3.437 3.363 1.00 . A A . 2 MET N 1 1 9 2728 1 1 2 MET O O -14.011 0.669 1.910 1.00 . A A . 2 MET O 1 1 9 2729 1 1 2 MET SD S -14.028 0.850 7.286 1.00 . A A . 2 MET SD 1 1 9 2730 1 1 3 ALA C C -10.678 0.078 0.123 1.00 . A A . 3 ALA C 1 1 9 2731 1 1 3 ALA CA C -11.960 0.854 0.055 1.00 . A A . 3 ALA CA 1 1 9 2732 1 1 3 ALA CB C -11.954 1.803 -1.136 1.00 . A A . 3 ALA CB 1 1 9 2733 1 1 3 ALA H H -11.405 2.275 1.500 1.00 . A A . 3 ALA H 1 1 9 2734 1 1 3 ALA HA H -12.791 0.169 -0.023 1.00 . A A . 3 ALA HA 1 1 9 2735 1 1 3 ALA HB1 H -12.887 2.346 -1.169 1.00 . A A . 3 ALA HB1 1 1 9 2736 1 1 3 ALA HB2 H -11.833 1.237 -2.047 1.00 . A A . 3 ALA HB2 1 1 9 2737 1 1 3 ALA HB3 H -11.135 2.500 -1.033 1.00 . A A . 3 ALA HB3 1 1 9 2738 1 1 3 ALA N N -12.071 1.584 1.292 1.00 . A A . 3 ALA N 1 1 9 2739 1 1 3 ALA O O -9.626 0.672 0.336 1.00 . A A . 3 ALA O 1 1 9 2740 1 1 4 LYS C C -8.431 -1.801 -0.802 1.00 . A A . 4 LYS C 1 1 9 2741 1 1 4 LYS CA C -9.595 -2.136 0.133 1.00 . A A . 4 LYS CA 1 1 9 2742 1 1 4 LYS CB C -9.967 -3.637 -0.008 1.00 . A A . 4 LYS CB 1 1 9 2743 1 1 4 LYS CD C -11.775 -3.591 -1.813 1.00 . A A . 4 LYS CD 1 1 9 2744 1 1 4 LYS CE C -12.167 -4.107 -3.183 1.00 . A A . 4 LYS CE 1 1 9 2745 1 1 4 LYS CG C -10.409 -4.111 -1.404 1.00 . A A . 4 LYS CG 1 1 9 2746 1 1 4 LYS H H -11.645 -1.630 -0.170 1.00 . A A . 4 LYS H 1 1 9 2747 1 1 4 LYS HA H -9.234 -1.981 1.139 1.00 . A A . 4 LYS HA 1 1 9 2748 1 1 4 LYS HB2 H -9.108 -4.226 0.275 1.00 . A A . 4 LYS HB2 1 1 9 2749 1 1 4 LYS HB3 H -10.765 -3.850 0.688 1.00 . A A . 4 LYS HB3 1 1 9 2750 1 1 4 LYS HD2 H -12.510 -3.917 -1.093 1.00 . A A . 4 LYS HD2 1 1 9 2751 1 1 4 LYS HD3 H -11.744 -2.511 -1.839 1.00 . A A . 4 LYS HD3 1 1 9 2752 1 1 4 LYS HE2 H -11.453 -3.742 -3.909 1.00 . A A . 4 LYS HE2 1 1 9 2753 1 1 4 LYS HE3 H -12.140 -5.185 -3.167 1.00 . A A . 4 LYS HE3 1 1 9 2754 1 1 4 LYS HG2 H -9.687 -3.764 -2.128 1.00 . A A . 4 LYS HG2 1 1 9 2755 1 1 4 LYS HG3 H -10.425 -5.191 -1.413 1.00 . A A . 4 LYS HG3 1 1 9 2756 1 1 4 LYS HZ1 H -13.724 -3.962 -4.550 1.00 . A A . 4 LYS HZ1 1 1 9 2757 1 1 4 LYS HZ2 H -13.618 -2.630 -3.500 1.00 . A A . 4 LYS HZ2 1 1 9 2758 1 1 4 LYS HZ3 H -14.229 -4.088 -2.950 1.00 . A A . 4 LYS HZ3 1 1 9 2759 1 1 4 LYS N N -10.759 -1.236 -0.015 1.00 . A A . 4 LYS N 1 1 9 2760 1 1 4 LYS NZ N -13.517 -3.662 -3.575 1.00 . A A . 4 LYS NZ 1 1 9 2761 1 1 4 LYS O O -7.294 -2.140 -0.516 1.00 . A A . 4 LYS O 1 1 9 2762 1 1 5 LEU C C -6.713 0.254 -2.243 1.00 . A A . 5 LEU C 1 1 9 2763 1 1 5 LEU CA C -7.683 -0.762 -2.840 1.00 . A A . 5 LEU CA 1 1 9 2764 1 1 5 LEU CB C -8.294 -0.224 -4.139 1.00 . A A . 5 LEU CB 1 1 9 2765 1 1 5 LEU CD1 C -9.749 -0.519 -6.162 1.00 . A A . 5 LEU CD1 1 1 9 2766 1 1 5 LEU CD2 C -8.463 -2.471 -5.276 1.00 . A A . 5 LEU CD2 1 1 9 2767 1 1 5 LEU CG C -9.207 -1.189 -4.912 1.00 . A A . 5 LEU CG 1 1 9 2768 1 1 5 LEU H H -9.642 -0.854 -2.050 1.00 . A A . 5 LEU H 1 1 9 2769 1 1 5 LEU HA H -7.127 -1.660 -3.068 1.00 . A A . 5 LEU HA 1 1 9 2770 1 1 5 LEU HB2 H -8.868 0.657 -3.894 1.00 . A A . 5 LEU HB2 1 1 9 2771 1 1 5 LEU HB3 H -7.486 0.069 -4.792 1.00 . A A . 5 LEU HB3 1 1 9 2772 1 1 5 LEU HD11 H -10.325 0.350 -5.884 1.00 . A A . 5 LEU HD11 1 1 9 2773 1 1 5 LEU HD12 H -10.379 -1.213 -6.698 1.00 . A A . 5 LEU HD12 1 1 9 2774 1 1 5 LEU HD13 H -8.927 -0.218 -6.795 1.00 . A A . 5 LEU HD13 1 1 9 2775 1 1 5 LEU HD21 H -7.597 -2.230 -5.875 1.00 . A A . 5 LEU HD21 1 1 9 2776 1 1 5 LEU HD22 H -9.122 -3.112 -5.843 1.00 . A A . 5 LEU HD22 1 1 9 2777 1 1 5 LEU HD23 H -8.153 -2.984 -4.377 1.00 . A A . 5 LEU HD23 1 1 9 2778 1 1 5 LEU HG H -10.048 -1.449 -4.286 1.00 . A A . 5 LEU HG 1 1 9 2779 1 1 5 LEU N N -8.714 -1.121 -1.890 1.00 . A A . 5 LEU N 1 1 9 2780 1 1 5 LEU O O -5.521 0.186 -2.490 1.00 . A A . 5 LEU O 1 1 9 2781 1 1 6 LEU C C -5.274 1.704 0.079 1.00 . A A . 6 LEU C 1 1 9 2782 1 1 6 LEU CA C -6.405 2.216 -0.835 1.00 . A A . 6 LEU CA 1 1 9 2783 1 1 6 LEU CB C -7.255 3.299 -0.157 1.00 . A A . 6 LEU CB 1 1 9 2784 1 1 6 LEU CD1 C -8.999 5.078 -0.273 1.00 . A A . 6 LEU CD1 1 1 9 2785 1 1 6 LEU CD2 C -7.528 4.674 -2.247 1.00 . A A . 6 LEU CD2 1 1 9 2786 1 1 6 LEU CG C -8.244 4.034 -1.063 1.00 . A A . 6 LEU CG 1 1 9 2787 1 1 6 LEU H H -8.164 1.074 -1.133 1.00 . A A . 6 LEU H 1 1 9 2788 1 1 6 LEU HA H -5.906 2.664 -1.681 1.00 . A A . 6 LEU HA 1 1 9 2789 1 1 6 LEU HB2 H -7.812 2.834 0.643 1.00 . A A . 6 LEU HB2 1 1 9 2790 1 1 6 LEU HB3 H -6.586 4.029 0.274 1.00 . A A . 6 LEU HB3 1 1 9 2791 1 1 6 LEU HD11 H -8.298 5.784 0.149 1.00 . A A . 6 LEU HD11 1 1 9 2792 1 1 6 LEU HD12 H -9.554 4.601 0.521 1.00 . A A . 6 LEU HD12 1 1 9 2793 1 1 6 LEU HD13 H -9.681 5.599 -0.928 1.00 . A A . 6 LEU HD13 1 1 9 2794 1 1 6 LEU HD21 H -6.780 5.365 -1.889 1.00 . A A . 6 LEU HD21 1 1 9 2795 1 1 6 LEU HD22 H -8.247 5.206 -2.852 1.00 . A A . 6 LEU HD22 1 1 9 2796 1 1 6 LEU HD23 H -7.058 3.910 -2.850 1.00 . A A . 6 LEU HD23 1 1 9 2797 1 1 6 LEU HG H -8.963 3.323 -1.442 1.00 . A A . 6 LEU HG 1 1 9 2798 1 1 6 LEU N N -7.223 1.145 -1.404 1.00 . A A . 6 LEU N 1 1 9 2799 1 1 6 LEU O O -4.116 2.048 -0.164 1.00 . A A . 6 LEU O 1 1 9 2800 1 1 7 PRO C C -3.533 -0.541 1.186 1.00 . A A . 7 PRO C 1 1 9 2801 1 1 7 PRO CA C -4.509 0.305 1.992 1.00 . A A . 7 PRO CA 1 1 9 2802 1 1 7 PRO CB C -5.267 -0.576 3.001 1.00 . A A . 7 PRO CB 1 1 9 2803 1 1 7 PRO CD C -6.890 0.497 1.647 1.00 . A A . 7 PRO CD 1 1 9 2804 1 1 7 PRO CG C -6.619 -0.753 2.418 1.00 . A A . 7 PRO CG 1 1 9 2805 1 1 7 PRO HA H -3.964 1.078 2.514 1.00 . A A . 7 PRO HA 1 1 9 2806 1 1 7 PRO HB2 H -4.756 -1.521 3.113 1.00 . A A . 7 PRO HB2 1 1 9 2807 1 1 7 PRO HB3 H -5.315 -0.073 3.955 1.00 . A A . 7 PRO HB3 1 1 9 2808 1 1 7 PRO HD2 H -7.570 0.303 0.830 1.00 . A A . 7 PRO HD2 1 1 9 2809 1 1 7 PRO HD3 H -7.284 1.265 2.296 1.00 . A A . 7 PRO HD3 1 1 9 2810 1 1 7 PRO HG2 H -6.624 -1.608 1.758 1.00 . A A . 7 PRO HG2 1 1 9 2811 1 1 7 PRO HG3 H -7.349 -0.879 3.203 1.00 . A A . 7 PRO HG3 1 1 9 2812 1 1 7 PRO N N -5.563 0.876 1.144 1.00 . A A . 7 PRO N 1 1 9 2813 1 1 7 PRO O O -2.347 -0.561 1.473 1.00 . A A . 7 PRO O 1 1 9 2814 1 1 8 ARG C C -2.225 -1.176 -1.490 1.00 . A A . 8 ARG C 1 1 9 2815 1 1 8 ARG CA C -3.192 -2.032 -0.696 1.00 . A A . 8 ARG CA 1 1 9 2816 1 1 8 ARG CB C -4.000 -2.927 -1.622 1.00 . A A . 8 ARG CB 1 1 9 2817 1 1 8 ARG CD C -5.410 -4.958 -1.904 1.00 . A A . 8 ARG CD 1 1 9 2818 1 1 8 ARG CG C -4.799 -4.000 -0.906 1.00 . A A . 8 ARG CG 1 1 9 2819 1 1 8 ARG CZ C -4.561 -6.271 -3.844 1.00 . A A . 8 ARG CZ 1 1 9 2820 1 1 8 ARG H H -4.996 -1.131 -0.034 1.00 . A A . 8 ARG H 1 1 9 2821 1 1 8 ARG HA H -2.606 -2.653 -0.033 1.00 . A A . 8 ARG HA 1 1 9 2822 1 1 8 ARG HB2 H -4.689 -2.309 -2.178 1.00 . A A . 8 ARG HB2 1 1 9 2823 1 1 8 ARG HB3 H -3.328 -3.408 -2.317 1.00 . A A . 8 ARG HB3 1 1 9 2824 1 1 8 ARG HD2 H -5.985 -5.700 -1.374 1.00 . A A . 8 ARG HD2 1 1 9 2825 1 1 8 ARG HD3 H -6.055 -4.406 -2.573 1.00 . A A . 8 ARG HD3 1 1 9 2826 1 1 8 ARG HE H -3.464 -5.552 -2.301 1.00 . A A . 8 ARG HE 1 1 9 2827 1 1 8 ARG HG2 H -4.147 -4.548 -0.243 1.00 . A A . 8 ARG HG2 1 1 9 2828 1 1 8 ARG HG3 H -5.589 -3.531 -0.338 1.00 . A A . 8 ARG HG3 1 1 9 2829 1 1 8 ARG HH11 H -6.594 -6.033 -3.883 1.00 . A A . 8 ARG HH11 1 1 9 2830 1 1 8 ARG HH12 H -5.973 -6.885 -5.207 1.00 . A A . 8 ARG HH12 1 1 9 2831 1 1 8 ARG HH21 H -2.597 -6.727 -4.111 1.00 . A A . 8 ARG HH21 1 1 9 2832 1 1 8 ARG HH22 H -3.618 -7.293 -5.342 1.00 . A A . 8 ARG HH22 1 1 9 2833 1 1 8 ARG N N -4.037 -1.209 0.152 1.00 . A A . 8 ARG N 1 1 9 2834 1 1 8 ARG NE N -4.367 -5.625 -2.693 1.00 . A A . 8 ARG NE 1 1 9 2835 1 1 8 ARG NH1 N -5.786 -6.406 -4.347 1.00 . A A . 8 ARG NH1 1 1 9 2836 1 1 8 ARG NH2 N -3.529 -6.798 -4.474 1.00 . A A . 8 ARG NH2 1 1 9 2837 1 1 8 ARG O O -1.031 -1.446 -1.505 1.00 . A A . 8 ARG O 1 1 9 2838 1 1 9 ILE C C -0.888 1.447 -1.926 1.00 . A A . 9 ILE C 1 1 9 2839 1 1 9 ILE CA C -1.906 0.808 -2.869 1.00 . A A . 9 ILE CA 1 1 9 2840 1 1 9 ILE CB C -2.764 1.907 -3.580 1.00 . A A . 9 ILE CB 1 1 9 2841 1 1 9 ILE CD1 C -4.565 2.246 -5.383 1.00 . A A . 9 ILE CD1 1 1 9 2842 1 1 9 ILE CG1 C -3.628 1.274 -4.687 1.00 . A A . 9 ILE CG1 1 1 9 2843 1 1 9 ILE CG2 C -1.888 3.026 -4.152 1.00 . A A . 9 ILE CG2 1 1 9 2844 1 1 9 ILE H H -3.714 0.013 -2.106 1.00 . A A . 9 ILE H 1 1 9 2845 1 1 9 ILE HA H -1.367 0.242 -3.616 1.00 . A A . 9 ILE HA 1 1 9 2846 1 1 9 ILE HB H -3.420 2.345 -2.841 1.00 . A A . 9 ILE HB 1 1 9 2847 1 1 9 ILE HD11 H -5.129 1.721 -6.141 1.00 . A A . 9 ILE HD11 1 1 9 2848 1 1 9 ILE HD12 H -3.988 3.035 -5.842 1.00 . A A . 9 ILE HD12 1 1 9 2849 1 1 9 ILE HD13 H -5.245 2.671 -4.660 1.00 . A A . 9 ILE HD13 1 1 9 2850 1 1 9 ILE HG12 H -2.980 0.851 -5.440 1.00 . A A . 9 ILE HG12 1 1 9 2851 1 1 9 ILE HG13 H -4.225 0.485 -4.254 1.00 . A A . 9 ILE HG13 1 1 9 2852 1 1 9 ILE HG21 H -1.335 3.494 -3.352 1.00 . A A . 9 ILE HG21 1 1 9 2853 1 1 9 ILE HG22 H -2.511 3.761 -4.639 1.00 . A A . 9 ILE HG22 1 1 9 2854 1 1 9 ILE HG23 H -1.199 2.607 -4.869 1.00 . A A . 9 ILE HG23 1 1 9 2855 1 1 9 ILE N N -2.741 -0.132 -2.127 1.00 . A A . 9 ILE N 1 1 9 2856 1 1 9 ILE O O 0.297 1.532 -2.242 1.00 . A A . 9 ILE O 1 1 9 2857 1 1 10 LYS C C 0.617 1.461 0.675 1.00 . A A . 10 LYS C 1 1 9 2858 1 1 10 LYS CA C -0.510 2.420 0.274 1.00 . A A . 10 LYS CA 1 1 9 2859 1 1 10 LYS CB C -1.350 2.777 1.498 1.00 . A A . 10 LYS CB 1 1 9 2860 1 1 10 LYS CD C -1.473 3.749 3.791 1.00 . A A . 10 LYS CD 1 1 9 2861 1 1 10 LYS CE C -0.757 4.566 4.850 1.00 . A A . 10 LYS CE 1 1 9 2862 1 1 10 LYS CG C -0.595 3.516 2.581 1.00 . A A . 10 LYS CG 1 1 9 2863 1 1 10 LYS H H -2.304 1.663 -0.547 1.00 . A A . 10 LYS H 1 1 9 2864 1 1 10 LYS HA H -0.082 3.324 -0.135 1.00 . A A . 10 LYS HA 1 1 9 2865 1 1 10 LYS HB2 H -2.180 3.394 1.184 1.00 . A A . 10 LYS HB2 1 1 9 2866 1 1 10 LYS HB3 H -1.741 1.863 1.920 1.00 . A A . 10 LYS HB3 1 1 9 2867 1 1 10 LYS HD2 H -2.366 4.270 3.483 1.00 . A A . 10 LYS HD2 1 1 9 2868 1 1 10 LYS HD3 H -1.746 2.791 4.210 1.00 . A A . 10 LYS HD3 1 1 9 2869 1 1 10 LYS HE2 H -1.407 4.670 5.705 1.00 . A A . 10 LYS HE2 1 1 9 2870 1 1 10 LYS HE3 H 0.142 4.045 5.141 1.00 . A A . 10 LYS HE3 1 1 9 2871 1 1 10 LYS HG2 H 0.264 2.930 2.874 1.00 . A A . 10 LYS HG2 1 1 9 2872 1 1 10 LYS HG3 H -0.270 4.470 2.192 1.00 . A A . 10 LYS HG3 1 1 9 2873 1 1 10 LYS HZ1 H 0.262 5.874 3.571 1.00 . A A . 10 LYS HZ1 1 1 9 2874 1 1 10 LYS HZ2 H 0.048 6.464 5.126 1.00 . A A . 10 LYS HZ2 1 1 9 2875 1 1 10 LYS HZ3 H -1.246 6.424 4.055 1.00 . A A . 10 LYS HZ3 1 1 9 2876 1 1 10 LYS N N -1.351 1.813 -0.741 1.00 . A A . 10 LYS N 1 1 9 2877 1 1 10 LYS NZ N -0.401 5.911 4.372 1.00 . A A . 10 LYS NZ 1 1 9 2878 1 1 10 LYS O O 1.772 1.858 0.774 1.00 . A A . 10 LYS O 1 1 9 2879 1 1 11 LYS C C 2.251 -1.061 0.155 1.00 . A A . 11 LYS C 1 1 9 2880 1 1 11 LYS CA C 1.208 -0.839 1.256 1.00 . A A . 11 LYS CA 1 1 9 2881 1 1 11 LYS CB C 0.453 -2.138 1.553 1.00 . A A . 11 LYS CB 1 1 9 2882 1 1 11 LYS CD C 0.524 -4.550 2.190 1.00 . A A . 11 LYS CD 1 1 9 2883 1 1 11 LYS CE C 1.421 -5.742 2.465 1.00 . A A . 11 LYS CE 1 1 9 2884 1 1 11 LYS CG C 1.334 -3.293 1.969 1.00 . A A . 11 LYS CG 1 1 9 2885 1 1 11 LYS H H -0.683 -0.046 0.780 1.00 . A A . 11 LYS H 1 1 9 2886 1 1 11 LYS HA H 1.712 -0.516 2.155 1.00 . A A . 11 LYS HA 1 1 9 2887 1 1 11 LYS HB2 H -0.256 -1.953 2.347 1.00 . A A . 11 LYS HB2 1 1 9 2888 1 1 11 LYS HB3 H -0.090 -2.427 0.665 1.00 . A A . 11 LYS HB3 1 1 9 2889 1 1 11 LYS HD2 H -0.130 -4.401 3.036 1.00 . A A . 11 LYS HD2 1 1 9 2890 1 1 11 LYS HD3 H -0.064 -4.747 1.306 1.00 . A A . 11 LYS HD3 1 1 9 2891 1 1 11 LYS HE2 H 0.807 -6.618 2.612 1.00 . A A . 11 LYS HE2 1 1 9 2892 1 1 11 LYS HE3 H 2.053 -5.895 1.603 1.00 . A A . 11 LYS HE3 1 1 9 2893 1 1 11 LYS HG2 H 2.074 -3.470 1.204 1.00 . A A . 11 LYS HG2 1 1 9 2894 1 1 11 LYS HG3 H 1.830 -3.028 2.890 1.00 . A A . 11 LYS HG3 1 1 9 2895 1 1 11 LYS HZ1 H 2.856 -6.390 3.833 1.00 . A A . 11 LYS HZ1 1 1 9 2896 1 1 11 LYS HZ2 H 1.709 -5.373 4.511 1.00 . A A . 11 LYS HZ2 1 1 9 2897 1 1 11 LYS HZ3 H 2.918 -4.741 3.540 1.00 . A A . 11 LYS HZ3 1 1 9 2898 1 1 11 LYS N N 0.265 0.201 0.873 1.00 . A A . 11 LYS N 1 1 9 2899 1 1 11 LYS NZ N 2.274 -5.548 3.657 1.00 . A A . 11 LYS NZ 1 1 9 2900 1 1 11 LYS O O 3.436 -1.272 0.438 1.00 . A A . 11 LYS O 1 1 9 2901 1 1 12 LYS C C 3.681 0.007 -2.277 1.00 . A A . 12 LYS C 1 1 9 2902 1 1 12 LYS CA C 2.692 -1.139 -2.239 1.00 . A A . 12 LYS CA 1 1 9 2903 1 1 12 LYS CB C 1.892 -1.171 -3.532 1.00 . A A . 12 LYS CB 1 1 9 2904 1 1 12 LYS CD C 0.169 -2.278 -4.927 1.00 . A A . 12 LYS CD 1 1 9 2905 1 1 12 LYS CE C -0.658 -3.523 -5.154 1.00 . A A . 12 LYS CE 1 1 9 2906 1 1 12 LYS CG C 1.013 -2.388 -3.686 1.00 . A A . 12 LYS CG 1 1 9 2907 1 1 12 LYS H H 0.843 -0.876 -1.231 1.00 . A A . 12 LYS H 1 1 9 2908 1 1 12 LYS HA H 3.238 -2.065 -2.139 1.00 . A A . 12 LYS HA 1 1 9 2909 1 1 12 LYS HB2 H 1.263 -0.295 -3.569 1.00 . A A . 12 LYS HB2 1 1 9 2910 1 1 12 LYS HB3 H 2.579 -1.141 -4.366 1.00 . A A . 12 LYS HB3 1 1 9 2911 1 1 12 LYS HD2 H -0.496 -1.433 -4.826 1.00 . A A . 12 LYS HD2 1 1 9 2912 1 1 12 LYS HD3 H 0.819 -2.123 -5.774 1.00 . A A . 12 LYS HD3 1 1 9 2913 1 1 12 LYS HE2 H 0.005 -4.369 -5.257 1.00 . A A . 12 LYS HE2 1 1 9 2914 1 1 12 LYS HE3 H -1.308 -3.674 -4.305 1.00 . A A . 12 LYS HE3 1 1 9 2915 1 1 12 LYS HG2 H 1.636 -3.267 -3.758 1.00 . A A . 12 LYS HG2 1 1 9 2916 1 1 12 LYS HG3 H 0.367 -2.467 -2.823 1.00 . A A . 12 LYS HG3 1 1 9 2917 1 1 12 LYS HZ1 H -0.869 -3.123 -7.168 1.00 . A A . 12 LYS HZ1 1 1 9 2918 1 1 12 LYS HZ2 H -2.225 -2.690 -6.274 1.00 . A A . 12 LYS HZ2 1 1 9 2919 1 1 12 LYS HZ3 H -1.905 -4.319 -6.618 1.00 . A A . 12 LYS HZ3 1 1 9 2920 1 1 12 LYS N N 1.807 -1.004 -1.087 1.00 . A A . 12 LYS N 1 1 9 2921 1 1 12 LYS NZ N -1.477 -3.405 -6.372 1.00 . A A . 12 LYS NZ 1 1 9 2922 1 1 12 LYS O O 4.864 -0.187 -2.550 1.00 . A A . 12 LYS O 1 1 9 2923 1 1 13 ILE C C 5.009 2.266 -0.803 1.00 . A A . 13 ILE C 1 1 9 2924 1 1 13 ILE CA C 4.028 2.382 -1.959 1.00 . A A . 13 ILE CA 1 1 9 2925 1 1 13 ILE CB C 3.171 3.663 -1.789 1.00 . A A . 13 ILE CB 1 1 9 2926 1 1 13 ILE CD1 C 1.250 4.954 -2.852 1.00 . A A . 13 ILE CD1 1 1 9 2927 1 1 13 ILE CG1 C 2.243 3.831 -2.995 1.00 . A A . 13 ILE CG1 1 1 9 2928 1 1 13 ILE CG2 C 4.057 4.900 -1.610 1.00 . A A . 13 ILE CG2 1 1 9 2929 1 1 13 ILE H H 2.224 1.279 -1.858 1.00 . A A . 13 ILE H 1 1 9 2930 1 1 13 ILE HA H 4.580 2.449 -2.885 1.00 . A A . 13 ILE HA 1 1 9 2931 1 1 13 ILE HB H 2.568 3.547 -0.901 1.00 . A A . 13 ILE HB 1 1 9 2932 1 1 13 ILE HD11 H 0.623 4.983 -3.730 1.00 . A A . 13 ILE HD11 1 1 9 2933 1 1 13 ILE HD12 H 1.783 5.887 -2.756 1.00 . A A . 13 ILE HD12 1 1 9 2934 1 1 13 ILE HD13 H 0.640 4.791 -1.977 1.00 . A A . 13 ILE HD13 1 1 9 2935 1 1 13 ILE HG12 H 2.839 4.030 -3.872 1.00 . A A . 13 ILE HG12 1 1 9 2936 1 1 13 ILE HG13 H 1.692 2.913 -3.144 1.00 . A A . 13 ILE HG13 1 1 9 2937 1 1 13 ILE HG21 H 4.687 5.017 -2.478 1.00 . A A . 13 ILE HG21 1 1 9 2938 1 1 13 ILE HG22 H 4.673 4.776 -0.731 1.00 . A A . 13 ILE HG22 1 1 9 2939 1 1 13 ILE HG23 H 3.436 5.774 -1.491 1.00 . A A . 13 ILE HG23 1 1 9 2940 1 1 13 ILE N N 3.192 1.197 -2.012 1.00 . A A . 13 ILE N 1 1 9 2941 1 1 13 ILE O O 6.209 2.455 -0.979 1.00 . A A . 13 ILE O 1 1 9 2942 1 1 14 LEU C C 6.389 0.744 1.406 1.00 . A A . 14 LEU C 1 1 9 2943 1 1 14 LEU CA C 5.259 1.764 1.570 1.00 . A A . 14 LEU CA 1 1 9 2944 1 1 14 LEU CB C 4.334 1.361 2.728 1.00 . A A . 14 LEU CB 1 1 9 2945 1 1 14 LEU CD1 C 5.498 2.625 4.559 1.00 . A A . 14 LEU CD1 1 1 9 2946 1 1 14 LEU CD2 C 3.974 0.724 5.124 1.00 . A A . 14 LEU CD2 1 1 9 2947 1 1 14 LEU CG C 4.972 1.269 4.116 1.00 . A A . 14 LEU CG 1 1 9 2948 1 1 14 LEU H H 3.520 1.723 0.393 1.00 . A A . 14 LEU H 1 1 9 2949 1 1 14 LEU HA H 5.688 2.728 1.796 1.00 . A A . 14 LEU HA 1 1 9 2950 1 1 14 LEU HB2 H 3.528 2.078 2.779 1.00 . A A . 14 LEU HB2 1 1 9 2951 1 1 14 LEU HB3 H 3.911 0.397 2.489 1.00 . A A . 14 LEU HB3 1 1 9 2952 1 1 14 LEU HD11 H 4.687 3.338 4.589 1.00 . A A . 14 LEU HD11 1 1 9 2953 1 1 14 LEU HD12 H 6.254 2.966 3.868 1.00 . A A . 14 LEU HD12 1 1 9 2954 1 1 14 LEU HD13 H 5.931 2.532 5.545 1.00 . A A . 14 LEU HD13 1 1 9 2955 1 1 14 LEU HD21 H 3.119 1.381 5.177 1.00 . A A . 14 LEU HD21 1 1 9 2956 1 1 14 LEU HD22 H 4.442 0.662 6.095 1.00 . A A . 14 LEU HD22 1 1 9 2957 1 1 14 LEU HD23 H 3.654 -0.260 4.815 1.00 . A A . 14 LEU HD23 1 1 9 2958 1 1 14 LEU HG H 5.808 0.589 4.065 1.00 . A A . 14 LEU HG 1 1 9 2959 1 1 14 LEU N N 4.487 1.899 0.350 1.00 . A A . 14 LEU N 1 1 9 2960 1 1 14 LEU O O 7.525 1.027 1.728 1.00 . A A . 14 LEU O 1 1 9 2961 1 1 15 ALA C C 8.087 -1.142 -0.402 1.00 . A A . 15 ALA C 1 1 9 2962 1 1 15 ALA CA C 7.065 -1.473 0.691 1.00 . A A . 15 ALA CA 1 1 9 2963 1 1 15 ALA CB C 6.377 -2.795 0.391 1.00 . A A . 15 ALA CB 1 1 9 2964 1 1 15 ALA H H 5.145 -0.576 0.588 1.00 . A A . 15 ALA H 1 1 9 2965 1 1 15 ALA HA H 7.593 -1.575 1.628 1.00 . A A . 15 ALA HA 1 1 9 2966 1 1 15 ALA HB1 H 5.871 -2.728 -0.561 1.00 . A A . 15 ALA HB1 1 1 9 2967 1 1 15 ALA HB2 H 5.657 -3.010 1.166 1.00 . A A . 15 ALA HB2 1 1 9 2968 1 1 15 ALA HB3 H 7.115 -3.582 0.353 1.00 . A A . 15 ALA HB3 1 1 9 2969 1 1 15 ALA N N 6.075 -0.412 0.863 1.00 . A A . 15 ALA N 1 1 9 2970 1 1 15 ALA O O 9.173 -1.721 -0.451 1.00 . A A . 15 ALA O 1 1 9 2971 1 1 16 ALA C C 9.505 1.314 -1.977 1.00 . A A . 16 ALA C 1 1 9 2972 1 1 16 ALA CA C 8.619 0.133 -2.367 1.00 . A A . 16 ALA CA 1 1 9 2973 1 1 16 ALA CB C 7.830 0.454 -3.619 1.00 . A A . 16 ALA CB 1 1 9 2974 1 1 16 ALA H H 6.836 0.147 -1.226 1.00 . A A . 16 ALA H 1 1 9 2975 1 1 16 ALA HA H 9.255 -0.713 -2.582 1.00 . A A . 16 ALA HA 1 1 9 2976 1 1 16 ALA HB1 H 7.197 1.309 -3.433 1.00 . A A . 16 ALA HB1 1 1 9 2977 1 1 16 ALA HB2 H 7.219 -0.395 -3.889 1.00 . A A . 16 ALA HB2 1 1 9 2978 1 1 16 ALA HB3 H 8.511 0.681 -4.424 1.00 . A A . 16 ALA HB3 1 1 9 2979 1 1 16 ALA N N 7.730 -0.253 -1.293 1.00 . A A . 16 ALA N 1 1 9 2980 1 1 16 ALA O O 10.735 1.249 -2.094 1.00 . A A . 16 ALA O 1 1 9 2981 1 1 17 ALA C C 10.276 3.543 0.156 1.00 . A A . 17 ALA C 1 1 9 2982 1 1 17 ALA CA C 9.578 3.607 -1.187 1.00 . A A . 17 ALA CA 1 1 9 2983 1 1 17 ALA CB C 8.625 4.787 -1.237 1.00 . A A . 17 ALA CB 1 1 9 2984 1 1 17 ALA H H 7.908 2.333 -1.357 1.00 . A A . 17 ALA H 1 1 9 2985 1 1 17 ALA HA H 10.328 3.759 -1.950 1.00 . A A . 17 ALA HA 1 1 9 2986 1 1 17 ALA HB1 H 9.176 5.702 -1.082 1.00 . A A . 17 ALA HB1 1 1 9 2987 1 1 17 ALA HB2 H 7.881 4.679 -0.462 1.00 . A A . 17 ALA HB2 1 1 9 2988 1 1 17 ALA HB3 H 8.138 4.818 -2.200 1.00 . A A . 17 ALA HB3 1 1 9 2989 1 1 17 ALA N N 8.882 2.375 -1.506 1.00 . A A . 17 ALA N 1 1 9 2990 1 1 17 ALA O O 11.411 4.017 0.295 1.00 . A A . 17 ALA O 1 1 9 2991 1 1 18 PHE C C 10.952 1.559 2.533 1.00 . A A . 18 PHE C 1 1 9 2992 1 1 18 PHE CA C 10.203 2.870 2.454 1.00 . A A . 18 PHE CA 1 1 9 2993 1 1 18 PHE CB C 9.116 2.954 3.543 1.00 . A A . 18 PHE CB 1 1 9 2994 1 1 18 PHE CD1 C 10.106 2.147 5.712 1.00 . A A . 18 PHE CD1 1 1 9 2995 1 1 18 PHE CD2 C 9.660 4.466 5.463 1.00 . A A . 18 PHE CD2 1 1 9 2996 1 1 18 PHE CE1 C 10.584 2.375 6.982 1.00 . A A . 18 PHE CE1 1 1 9 2997 1 1 18 PHE CE2 C 10.135 4.698 6.733 1.00 . A A . 18 PHE CE2 1 1 9 2998 1 1 18 PHE CG C 9.640 3.190 4.936 1.00 . A A . 18 PHE CG 1 1 9 2999 1 1 18 PHE CZ C 10.599 3.652 7.492 1.00 . A A . 18 PHE CZ 1 1 9 3000 1 1 18 PHE H H 8.748 2.550 0.989 1.00 . A A . 18 PHE H 1 1 9 3001 1 1 18 PHE HA H 10.905 3.683 2.571 1.00 . A A . 18 PHE HA 1 1 9 3002 1 1 18 PHE HB2 H 8.435 3.758 3.307 1.00 . A A . 18 PHE HB2 1 1 9 3003 1 1 18 PHE HB3 H 8.562 2.028 3.547 1.00 . A A . 18 PHE HB3 1 1 9 3004 1 1 18 PHE HD1 H 10.099 1.145 5.310 1.00 . A A . 18 PHE HD1 1 1 9 3005 1 1 18 PHE HD2 H 9.296 5.290 4.866 1.00 . A A . 18 PHE HD2 1 1 9 3006 1 1 18 PHE HE1 H 10.945 1.551 7.579 1.00 . A A . 18 PHE HE1 1 1 9 3007 1 1 18 PHE HE2 H 10.147 5.702 7.132 1.00 . A A . 18 PHE HE2 1 1 9 3008 1 1 18 PHE HZ H 10.975 3.837 8.488 1.00 . A A . 18 PHE HZ 1 1 9 3009 1 1 18 PHE N N 9.626 2.964 1.136 1.00 . A A . 18 PHE N 1 1 9 3010 1 1 18 PHE O O 10.357 0.474 2.485 1.00 . A A . 18 PHE O 1 1 9 3011 1 1 19 LYS C C 13.622 0.303 3.994 1.00 . A A . 19 LYS C 1 1 9 3012 1 1 19 LYS CA C 13.079 0.510 2.605 1.00 . A A . 19 LYS CA 1 1 9 3013 1 1 19 LYS CB C 14.199 0.701 1.579 1.00 . A A . 19 LYS CB 1 1 9 3014 1 1 19 LYS CD C 14.790 1.302 -0.801 1.00 . A A . 19 LYS CD 1 1 9 3015 1 1 19 LYS CE C 14.247 1.809 -2.139 1.00 . A A . 19 LYS CE 1 1 9 3016 1 1 19 LYS CG C 13.671 1.051 0.189 1.00 . A A . 19 LYS CG 1 1 9 3017 1 1 19 LYS H H 12.646 2.541 2.707 1.00 . A A . 19 LYS H 1 1 9 3018 1 1 19 LYS HA H 12.484 -0.347 2.323 1.00 . A A . 19 LYS HA 1 1 9 3019 1 1 19 LYS HB2 H 14.850 1.495 1.914 1.00 . A A . 19 LYS HB2 1 1 9 3020 1 1 19 LYS HB3 H 14.768 -0.214 1.504 1.00 . A A . 19 LYS HB3 1 1 9 3021 1 1 19 LYS HD2 H 15.463 2.041 -0.392 1.00 . A A . 19 LYS HD2 1 1 9 3022 1 1 19 LYS HD3 H 15.323 0.378 -0.967 1.00 . A A . 19 LYS HD3 1 1 9 3023 1 1 19 LYS HE2 H 13.699 2.721 -1.961 1.00 . A A . 19 LYS HE2 1 1 9 3024 1 1 19 LYS HE3 H 15.072 2.016 -2.804 1.00 . A A . 19 LYS HE3 1 1 9 3025 1 1 19 LYS HG2 H 13.067 0.232 -0.173 1.00 . A A . 19 LYS HG2 1 1 9 3026 1 1 19 LYS HG3 H 13.060 1.938 0.265 1.00 . A A . 19 LYS HG3 1 1 9 3027 1 1 19 LYS HZ1 H 13.054 1.195 -3.729 1.00 . A A . 19 LYS HZ1 1 1 9 3028 1 1 19 LYS HZ2 H 12.441 0.756 -2.248 1.00 . A A . 19 LYS HZ2 1 1 9 3029 1 1 19 LYS HZ3 H 13.758 -0.087 -2.898 1.00 . A A . 19 LYS HZ3 1 1 9 3030 1 1 19 LYS N N 12.234 1.656 2.610 1.00 . A A . 19 LYS N 1 1 9 3031 1 1 19 LYS NZ N 13.329 0.854 -2.785 1.00 . A A . 19 LYS NZ 1 1 9 3032 1 1 19 LYS O O 14.458 1.118 4.439 1.00 . A A . 19 LYS O 1 1 9 3033 1 1 19 LYS OXT O 13.211 -0.662 4.665 1.00 . A A . 19 LYS OXT 1 1 10 3034 1 1 1 PRO C C -12.370 -0.252 3.956 1.00 . A A . 1 PRO C 1 1 10 3035 1 1 1 PRO CA C -11.036 -0.468 4.643 1.00 . A A . 1 PRO CA 1 1 10 3036 1 1 1 PRO CB C -10.295 -1.641 4.019 1.00 . A A . 1 PRO CB 1 1 10 3037 1 1 1 PRO CD C -10.711 -2.117 6.347 1.00 . A A . 1 PRO CD 1 1 10 3038 1 1 1 PRO CG C -9.752 -2.384 5.197 1.00 . A A . 1 PRO CG 1 1 10 3039 1 1 1 PRO H2 H -11.891 -1.484 6.239 1.00 . A A . 1 PRO H2 1 1 10 3040 1 1 1 PRO H3 H -11.635 0.142 6.466 1.00 . A A . 1 PRO H3 1 1 10 3041 1 1 1 PRO HA H -10.436 0.421 4.530 1.00 . A A . 1 PRO HA 1 1 10 3042 1 1 1 PRO HB2 H -10.989 -2.240 3.449 1.00 . A A . 1 PRO HB2 1 1 10 3043 1 1 1 PRO HB3 H -9.504 -1.283 3.377 1.00 . A A . 1 PRO HB3 1 1 10 3044 1 1 1 PRO HD2 H -11.449 -2.909 6.311 1.00 . A A . 1 PRO HD2 1 1 10 3045 1 1 1 PRO HD3 H -10.199 -2.195 7.298 1.00 . A A . 1 PRO HD3 1 1 10 3046 1 1 1 PRO HG2 H -9.715 -3.439 4.973 1.00 . A A . 1 PRO HG2 1 1 10 3047 1 1 1 PRO HG3 H -8.765 -2.021 5.440 1.00 . A A . 1 PRO HG3 1 1 10 3048 1 1 1 PRO N N -11.224 -0.719 6.048 1.00 . A A . 1 PRO N 1 1 10 3049 1 1 1 PRO O O -13.069 -1.210 3.624 1.00 . A A . 1 PRO O 1 1 10 3050 1 1 2 MET C C -13.665 1.318 1.628 1.00 . A A . 2 MET C 1 1 10 3051 1 1 2 MET CA C -13.972 1.316 3.097 1.00 . A A . 2 MET CA 1 1 10 3052 1 1 2 MET CB C -14.528 2.654 3.561 1.00 . A A . 2 MET CB 1 1 10 3053 1 1 2 MET CE C -16.212 1.601 7.236 1.00 . A A . 2 MET CE 1 1 10 3054 1 1 2 MET CG C -14.868 2.650 5.037 1.00 . A A . 2 MET CG 1 1 10 3055 1 1 2 MET H H -12.214 1.720 4.176 1.00 . A A . 2 MET H 1 1 10 3056 1 1 2 MET HA H -14.687 0.532 3.300 1.00 . A A . 2 MET HA 1 1 10 3057 1 1 2 MET HB2 H -13.793 3.422 3.376 1.00 . A A . 2 MET HB2 1 1 10 3058 1 1 2 MET HB3 H -15.426 2.877 3.005 1.00 . A A . 2 MET HB3 1 1 10 3059 1 1 2 MET HE1 H -16.939 0.905 7.629 1.00 . A A . 2 MET HE1 1 1 10 3060 1 1 2 MET HE2 H -16.518 2.611 7.461 1.00 . A A . 2 MET HE2 1 1 10 3061 1 1 2 MET HE3 H -15.252 1.406 7.689 1.00 . A A . 2 MET HE3 1 1 10 3062 1 1 2 MET HG2 H -13.958 2.444 5.581 1.00 . A A . 2 MET HG2 1 1 10 3063 1 1 2 MET HG3 H -15.241 3.622 5.315 1.00 . A A . 2 MET HG3 1 1 10 3064 1 1 2 MET N N -12.757 0.990 3.805 1.00 . A A . 2 MET N 1 1 10 3065 1 1 2 MET O O -14.369 0.708 0.821 1.00 . A A . 2 MET O 1 1 10 3066 1 1 2 MET SD S -16.088 1.384 5.459 1.00 . A A . 2 MET SD 1 1 10 3067 1 1 3 ALA C C -10.928 0.950 0.041 1.00 . A A . 3 ALA C 1 1 10 3068 1 1 3 ALA CA C -12.077 1.919 -0.035 1.00 . A A . 3 ALA CA 1 1 10 3069 1 1 3 ALA CB C -11.637 3.289 -0.522 1.00 . A A . 3 ALA CB 1 1 10 3070 1 1 3 ALA H H -12.115 2.511 1.952 1.00 . A A . 3 ALA H 1 1 10 3071 1 1 3 ALA HA H -12.842 1.513 -0.683 1.00 . A A . 3 ALA HA 1 1 10 3072 1 1 3 ALA HB1 H -11.210 3.202 -1.510 1.00 . A A . 3 ALA HB1 1 1 10 3073 1 1 3 ALA HB2 H -10.899 3.688 0.157 1.00 . A A . 3 ALA HB2 1 1 10 3074 1 1 3 ALA HB3 H -12.489 3.951 -0.555 1.00 . A A . 3 ALA HB3 1 1 10 3075 1 1 3 ALA N N -12.600 1.978 1.285 1.00 . A A . 3 ALA N 1 1 10 3076 1 1 3 ALA O O -9.792 1.324 0.312 1.00 . A A . 3 ALA O 1 1 10 3077 1 1 4 LYS C C -9.088 -1.427 -0.723 1.00 . A A . 4 LYS C 1 1 10 3078 1 1 4 LYS CA C -10.354 -1.430 0.134 1.00 . A A . 4 LYS CA 1 1 10 3079 1 1 4 LYS CB C -11.070 -2.806 0.092 1.00 . A A . 4 LYS CB 1 1 10 3080 1 1 4 LYS CD C -12.798 -2.433 -1.766 1.00 . A A . 4 LYS CD 1 1 10 3081 1 1 4 LYS CE C -13.331 -3.005 -3.066 1.00 . A A . 4 LYS CE 1 1 10 3082 1 1 4 LYS CG C -11.629 -3.266 -1.266 1.00 . A A . 4 LYS CG 1 1 10 3083 1 1 4 LYS H H -12.185 -0.494 -0.391 1.00 . A A . 4 LYS H 1 1 10 3084 1 1 4 LYS HA H -10.013 -1.285 1.149 1.00 . A A . 4 LYS HA 1 1 10 3085 1 1 4 LYS HB2 H -10.370 -3.559 0.422 1.00 . A A . 4 LYS HB2 1 1 10 3086 1 1 4 LYS HB3 H -11.885 -2.776 0.799 1.00 . A A . 4 LYS HB3 1 1 10 3087 1 1 4 LYS HD2 H -13.582 -2.435 -1.025 1.00 . A A . 4 LYS HD2 1 1 10 3088 1 1 4 LYS HD3 H -12.463 -1.421 -1.941 1.00 . A A . 4 LYS HD3 1 1 10 3089 1 1 4 LYS HE2 H -12.538 -3.004 -3.798 1.00 . A A . 4 LYS HE2 1 1 10 3090 1 1 4 LYS HE3 H -13.648 -4.022 -2.886 1.00 . A A . 4 LYS HE3 1 1 10 3091 1 1 4 LYS HG2 H -10.836 -3.216 -1.994 1.00 . A A . 4 LYS HG2 1 1 10 3092 1 1 4 LYS HG3 H -11.946 -4.294 -1.176 1.00 . A A . 4 LYS HG3 1 1 10 3093 1 1 4 LYS HZ1 H -15.248 -2.219 -2.917 1.00 . A A . 4 LYS HZ1 1 1 10 3094 1 1 4 LYS HZ2 H -14.814 -2.667 -4.474 1.00 . A A . 4 LYS HZ2 1 1 10 3095 1 1 4 LYS HZ3 H -14.191 -1.252 -3.797 1.00 . A A . 4 LYS HZ3 1 1 10 3096 1 1 4 LYS N N -11.265 -0.315 -0.106 1.00 . A A . 4 LYS N 1 1 10 3097 1 1 4 LYS NZ N -14.465 -2.235 -3.598 1.00 . A A . 4 LYS NZ 1 1 10 3098 1 1 4 LYS O O -8.082 -2.003 -0.328 1.00 . A A . 4 LYS O 1 1 10 3099 1 1 5 LEU C C -6.897 0.269 -2.145 1.00 . A A . 5 LEU C 1 1 10 3100 1 1 5 LEU CA C -7.914 -0.721 -2.691 1.00 . A A . 5 LEU CA 1 1 10 3101 1 1 5 LEU CB C -8.197 -0.445 -4.188 1.00 . A A . 5 LEU CB 1 1 10 3102 1 1 5 LEU CD1 C -7.830 -2.819 -5.005 1.00 . A A . 5 LEU CD1 1 1 10 3103 1 1 5 LEU CD2 C -10.162 -1.985 -4.671 1.00 . A A . 5 LEU CD2 1 1 10 3104 1 1 5 LEU CG C -8.746 -1.608 -5.052 1.00 . A A . 5 LEU CG 1 1 10 3105 1 1 5 LEU H H -9.935 -0.322 -2.161 1.00 . A A . 5 LEU H 1 1 10 3106 1 1 5 LEU HA H -7.461 -1.698 -2.604 1.00 . A A . 5 LEU HA 1 1 10 3107 1 1 5 LEU HB2 H -8.908 0.364 -4.244 1.00 . A A . 5 LEU HB2 1 1 10 3108 1 1 5 LEU HB3 H -7.273 -0.106 -4.634 1.00 . A A . 5 LEU HB3 1 1 10 3109 1 1 5 LEU HD11 H -8.226 -3.592 -5.646 1.00 . A A . 5 LEU HD11 1 1 10 3110 1 1 5 LEU HD12 H -7.777 -3.197 -3.995 1.00 . A A . 5 LEU HD12 1 1 10 3111 1 1 5 LEU HD13 H -6.842 -2.544 -5.341 1.00 . A A . 5 LEU HD13 1 1 10 3112 1 1 5 LEU HD21 H -10.490 -2.819 -5.274 1.00 . A A . 5 LEU HD21 1 1 10 3113 1 1 5 LEU HD22 H -10.815 -1.142 -4.841 1.00 . A A . 5 LEU HD22 1 1 10 3114 1 1 5 LEU HD23 H -10.188 -2.258 -3.628 1.00 . A A . 5 LEU HD23 1 1 10 3115 1 1 5 LEU HG H -8.749 -1.273 -6.078 1.00 . A A . 5 LEU HG 1 1 10 3116 1 1 5 LEU N N -9.113 -0.775 -1.867 1.00 . A A . 5 LEU N 1 1 10 3117 1 1 5 LEU O O -5.700 0.105 -2.371 1.00 . A A . 5 LEU O 1 1 10 3118 1 1 6 LEU C C -5.380 1.745 0.092 1.00 . A A . 6 LEU C 1 1 10 3119 1 1 6 LEU CA C -6.475 2.295 -0.838 1.00 . A A . 6 LEU CA 1 1 10 3120 1 1 6 LEU CB C -7.224 3.472 -0.187 1.00 . A A . 6 LEU CB 1 1 10 3121 1 1 6 LEU CD1 C -8.714 5.474 -0.324 1.00 . A A . 6 LEU CD1 1 1 10 3122 1 1 6 LEU CD2 C -7.324 4.846 -2.298 1.00 . A A . 6 LEU CD2 1 1 10 3123 1 1 6 LEU CG C -8.111 4.321 -1.104 1.00 . A A . 6 LEU CG 1 1 10 3124 1 1 6 LEU H H -8.315 1.273 -1.128 1.00 . A A . 6 LEU H 1 1 10 3125 1 1 6 LEU HA H -5.946 2.672 -1.701 1.00 . A A . 6 LEU HA 1 1 10 3126 1 1 6 LEU HB2 H -7.849 3.072 0.599 1.00 . A A . 6 LEU HB2 1 1 10 3127 1 1 6 LEU HB3 H -6.491 4.122 0.267 1.00 . A A . 6 LEU HB3 1 1 10 3128 1 1 6 LEU HD11 H -7.924 6.109 0.049 1.00 . A A . 6 LEU HD11 1 1 10 3129 1 1 6 LEU HD12 H -9.283 5.086 0.507 1.00 . A A . 6 LEU HD12 1 1 10 3130 1 1 6 LEU HD13 H -9.363 6.045 -0.969 1.00 . A A . 6 LEU HD13 1 1 10 3131 1 1 6 LEU HD21 H -7.963 5.477 -2.898 1.00 . A A . 6 LEU HD21 1 1 10 3132 1 1 6 LEU HD22 H -6.986 4.016 -2.900 1.00 . A A . 6 LEU HD22 1 1 10 3133 1 1 6 LEU HD23 H -6.474 5.416 -1.953 1.00 . A A . 6 LEU HD23 1 1 10 3134 1 1 6 LEU HG H -8.923 3.709 -1.469 1.00 . A A . 6 LEU HG 1 1 10 3135 1 1 6 LEU N N -7.363 1.255 -1.372 1.00 . A A . 6 LEU N 1 1 10 3136 1 1 6 LEU O O -4.213 2.007 -0.158 1.00 . A A . 6 LEU O 1 1 10 3137 1 1 7 PRO C C -3.756 -0.533 1.265 1.00 . A A . 7 PRO C 1 1 10 3138 1 1 7 PRO CA C -4.680 0.397 2.048 1.00 . A A . 7 PRO CA 1 1 10 3139 1 1 7 PRO CB C -5.469 -0.395 3.103 1.00 . A A . 7 PRO CB 1 1 10 3140 1 1 7 PRO CD C -7.062 0.662 1.678 1.00 . A A . 7 PRO CD 1 1 10 3141 1 1 7 PRO CG C -6.843 -0.536 2.547 1.00 . A A . 7 PRO CG 1 1 10 3142 1 1 7 PRO HA H -4.089 1.168 2.523 1.00 . A A . 7 PRO HA 1 1 10 3143 1 1 7 PRO HB2 H -5.003 -1.359 3.252 1.00 . A A . 7 PRO HB2 1 1 10 3144 1 1 7 PRO HB3 H -5.477 0.148 4.035 1.00 . A A . 7 PRO HB3 1 1 10 3145 1 1 7 PRO HD2 H -7.728 0.422 0.862 1.00 . A A . 7 PRO HD2 1 1 10 3146 1 1 7 PRO HD3 H -7.457 1.483 2.260 1.00 . A A . 7 PRO HD3 1 1 10 3147 1 1 7 PRO HG2 H -6.914 -1.443 1.964 1.00 . A A . 7 PRO HG2 1 1 10 3148 1 1 7 PRO HG3 H -7.558 -0.551 3.355 1.00 . A A . 7 PRO HG3 1 1 10 3149 1 1 7 PRO N N -5.709 0.977 1.181 1.00 . A A . 7 PRO N 1 1 10 3150 1 1 7 PRO O O -2.552 -0.530 1.463 1.00 . A A . 7 PRO O 1 1 10 3151 1 1 8 ARG C C -2.513 -1.520 -1.316 1.00 . A A . 8 ARG C 1 1 10 3152 1 1 8 ARG CA C -3.595 -2.214 -0.496 1.00 . A A . 8 ARG CA 1 1 10 3153 1 1 8 ARG CB C -4.542 -3.005 -1.401 1.00 . A A . 8 ARG CB 1 1 10 3154 1 1 8 ARG CD C -6.444 -4.646 -1.572 1.00 . A A . 8 ARG CD 1 1 10 3155 1 1 8 ARG CG C -5.463 -3.947 -0.645 1.00 . A A . 8 ARG CG 1 1 10 3156 1 1 8 ARG CZ C -6.380 -6.270 -3.463 1.00 . A A . 8 ARG CZ 1 1 10 3157 1 1 8 ARG H H -5.297 -1.145 0.185 1.00 . A A . 8 ARG H 1 1 10 3158 1 1 8 ARG HA H -3.110 -2.904 0.179 1.00 . A A . 8 ARG HA 1 1 10 3159 1 1 8 ARG HB2 H -5.152 -2.307 -1.956 1.00 . A A . 8 ARG HB2 1 1 10 3160 1 1 8 ARG HB3 H -3.958 -3.585 -2.099 1.00 . A A . 8 ARG HB3 1 1 10 3161 1 1 8 ARG HD2 H -7.051 -5.318 -0.984 1.00 . A A . 8 ARG HD2 1 1 10 3162 1 1 8 ARG HD3 H -7.079 -3.901 -2.029 1.00 . A A . 8 ARG HD3 1 1 10 3163 1 1 8 ARG HE H -4.805 -5.273 -2.714 1.00 . A A . 8 ARG HE 1 1 10 3164 1 1 8 ARG HG2 H -4.863 -4.695 -0.148 1.00 . A A . 8 ARG HG2 1 1 10 3165 1 1 8 ARG HG3 H -6.014 -3.381 0.092 1.00 . A A . 8 ARG HG3 1 1 10 3166 1 1 8 ARG HH11 H -8.251 -6.092 -2.638 1.00 . A A . 8 ARG HH11 1 1 10 3167 1 1 8 ARG HH12 H -8.154 -7.170 -3.947 1.00 . A A . 8 ARG HH12 1 1 10 3168 1 1 8 ARG HH21 H -4.691 -6.685 -4.494 1.00 . A A . 8 ARG HH21 1 1 10 3169 1 1 8 ARG HH22 H -6.090 -7.514 -5.056 1.00 . A A . 8 ARG HH22 1 1 10 3170 1 1 8 ARG N N -4.334 -1.268 0.324 1.00 . A A . 8 ARG N 1 1 10 3171 1 1 8 ARG NE N -5.775 -5.419 -2.628 1.00 . A A . 8 ARG NE 1 1 10 3172 1 1 8 ARG NH1 N -7.680 -6.524 -3.343 1.00 . A A . 8 ARG NH1 1 1 10 3173 1 1 8 ARG NH2 N -5.674 -6.872 -4.407 1.00 . A A . 8 ARG NH2 1 1 10 3174 1 1 8 ARG O O -1.337 -1.916 -1.268 1.00 . A A . 8 ARG O 1 1 10 3175 1 1 9 ILE C C -0.997 1.098 -1.985 1.00 . A A . 9 ILE C 1 1 10 3176 1 1 9 ILE CA C -1.928 0.256 -2.853 1.00 . A A . 9 ILE CA 1 1 10 3177 1 1 9 ILE CB C -2.601 1.138 -3.938 1.00 . A A . 9 ILE CB 1 1 10 3178 1 1 9 ILE CD1 C -4.228 3.093 -4.283 1.00 . A A . 9 ILE CD1 1 1 10 3179 1 1 9 ILE CG1 C -3.553 2.163 -3.303 1.00 . A A . 9 ILE CG1 1 1 10 3180 1 1 9 ILE CG2 C -3.332 0.259 -4.950 1.00 . A A . 9 ILE CG2 1 1 10 3181 1 1 9 ILE H H -3.833 -0.193 -2.029 1.00 . A A . 9 ILE H 1 1 10 3182 1 1 9 ILE HA H -1.317 -0.490 -3.343 1.00 . A A . 9 ILE HA 1 1 10 3183 1 1 9 ILE HB H -1.815 1.661 -4.462 1.00 . A A . 9 ILE HB 1 1 10 3184 1 1 9 ILE HD11 H -4.806 2.514 -4.988 1.00 . A A . 9 ILE HD11 1 1 10 3185 1 1 9 ILE HD12 H -3.477 3.661 -4.810 1.00 . A A . 9 ILE HD12 1 1 10 3186 1 1 9 ILE HD13 H -4.879 3.768 -3.749 1.00 . A A . 9 ILE HD13 1 1 10 3187 1 1 9 ILE HG12 H -4.331 1.629 -2.777 1.00 . A A . 9 ILE HG12 1 1 10 3188 1 1 9 ILE HG13 H -3.001 2.760 -2.594 1.00 . A A . 9 ILE HG13 1 1 10 3189 1 1 9 ILE HG21 H -4.095 -0.312 -4.443 1.00 . A A . 9 ILE HG21 1 1 10 3190 1 1 9 ILE HG22 H -2.628 -0.414 -5.414 1.00 . A A . 9 ILE HG22 1 1 10 3191 1 1 9 ILE HG23 H -3.789 0.882 -5.705 1.00 . A A . 9 ILE HG23 1 1 10 3192 1 1 9 ILE N N -2.888 -0.476 -2.037 1.00 . A A . 9 ILE N 1 1 10 3193 1 1 9 ILE O O 0.146 1.373 -2.364 1.00 . A A . 9 ILE O 1 1 10 3194 1 1 10 LYS C C 0.491 1.387 0.632 1.00 . A A . 10 LYS C 1 1 10 3195 1 1 10 LYS CA C -0.687 2.236 0.143 1.00 . A A . 10 LYS CA 1 1 10 3196 1 1 10 LYS CB C -1.532 2.688 1.331 1.00 . A A . 10 LYS CB 1 1 10 3197 1 1 10 LYS CD C -1.570 3.854 3.544 1.00 . A A . 10 LYS CD 1 1 10 3198 1 1 10 LYS CE C -0.742 4.653 4.534 1.00 . A A . 10 LYS CE 1 1 10 3199 1 1 10 LYS CG C -0.774 3.560 2.300 1.00 . A A . 10 LYS CG 1 1 10 3200 1 1 10 LYS H H -2.408 1.251 -0.573 1.00 . A A . 10 LYS H 1 1 10 3201 1 1 10 LYS HA H -0.311 3.105 -0.375 1.00 . A A . 10 LYS HA 1 1 10 3202 1 1 10 LYS HB2 H -2.385 3.241 0.966 1.00 . A A . 10 LYS HB2 1 1 10 3203 1 1 10 LYS HB3 H -1.882 1.814 1.861 1.00 . A A . 10 LYS HB3 1 1 10 3204 1 1 10 LYS HD2 H -2.450 4.419 3.276 1.00 . A A . 10 LYS HD2 1 1 10 3205 1 1 10 LYS HD3 H -1.865 2.922 4.003 1.00 . A A . 10 LYS HD3 1 1 10 3206 1 1 10 LYS HE2 H -0.496 5.604 4.091 1.00 . A A . 10 LYS HE2 1 1 10 3207 1 1 10 LYS HE3 H -1.326 4.818 5.427 1.00 . A A . 10 LYS HE3 1 1 10 3208 1 1 10 LYS HG2 H 0.136 3.051 2.583 1.00 . A A . 10 LYS HG2 1 1 10 3209 1 1 10 LYS HG3 H -0.525 4.490 1.810 1.00 . A A . 10 LYS HG3 1 1 10 3210 1 1 10 LYS HZ1 H 1.173 3.910 4.092 1.00 . A A . 10 LYS HZ1 1 1 10 3211 1 1 10 LYS HZ2 H 0.320 2.978 5.197 1.00 . A A . 10 LYS HZ2 1 1 10 3212 1 1 10 LYS HZ3 H 0.984 4.460 5.680 1.00 . A A . 10 LYS HZ3 1 1 10 3213 1 1 10 LYS N N -1.479 1.475 -0.802 1.00 . A A . 10 LYS N 1 1 10 3214 1 1 10 LYS NZ N 0.518 3.956 4.899 1.00 . A A . 10 LYS NZ 1 1 10 3215 1 1 10 LYS O O 1.604 1.895 0.825 1.00 . A A . 10 LYS O 1 1 10 3216 1 1 11 LYS C C 2.329 -0.964 0.114 1.00 . A A . 11 LYS C 1 1 10 3217 1 1 11 LYS CA C 1.283 -0.845 1.210 1.00 . A A . 11 LYS CA 1 1 10 3218 1 1 11 LYS CB C 0.686 -2.225 1.501 1.00 . A A . 11 LYS CB 1 1 10 3219 1 1 11 LYS CD C -0.937 -3.606 2.853 1.00 . A A . 11 LYS CD 1 1 10 3220 1 1 11 LYS CE C 0.094 -4.607 3.364 1.00 . A A . 11 LYS CE 1 1 10 3221 1 1 11 LYS CG C -0.341 -2.228 2.618 1.00 . A A . 11 LYS CG 1 1 10 3222 1 1 11 LYS H H -0.679 -0.221 0.683 1.00 . A A . 11 LYS H 1 1 10 3223 1 1 11 LYS HA H 1.751 -0.465 2.105 1.00 . A A . 11 LYS HA 1 1 10 3224 1 1 11 LYS HB2 H 0.212 -2.591 0.603 1.00 . A A . 11 LYS HB2 1 1 10 3225 1 1 11 LYS HB3 H 1.489 -2.894 1.770 1.00 . A A . 11 LYS HB3 1 1 10 3226 1 1 11 LYS HD2 H -1.732 -3.521 3.579 1.00 . A A . 11 LYS HD2 1 1 10 3227 1 1 11 LYS HD3 H -1.347 -3.966 1.921 1.00 . A A . 11 LYS HD3 1 1 10 3228 1 1 11 LYS HE2 H -0.396 -5.559 3.501 1.00 . A A . 11 LYS HE2 1 1 10 3229 1 1 11 LYS HE3 H 0.875 -4.717 2.626 1.00 . A A . 11 LYS HE3 1 1 10 3230 1 1 11 LYS HG2 H 0.126 -1.896 3.531 1.00 . A A . 11 LYS HG2 1 1 10 3231 1 1 11 LYS HG3 H -1.135 -1.545 2.357 1.00 . A A . 11 LYS HG3 1 1 10 3232 1 1 11 LYS HZ1 H -0.033 -4.068 5.389 1.00 . A A . 11 LYS HZ1 1 1 10 3233 1 1 11 LYS HZ2 H 1.231 -3.307 4.550 1.00 . A A . 11 LYS HZ2 1 1 10 3234 1 1 11 LYS HZ3 H 1.357 -4.922 4.977 1.00 . A A . 11 LYS HZ3 1 1 10 3235 1 1 11 LYS N N 0.243 0.096 0.807 1.00 . A A . 11 LYS N 1 1 10 3236 1 1 11 LYS NZ N 0.694 -4.190 4.656 1.00 . A A . 11 LYS NZ 1 1 10 3237 1 1 11 LYS O O 3.520 -1.080 0.383 1.00 . A A . 11 LYS O 1 1 10 3238 1 1 12 LYS C C 3.665 0.213 -2.395 1.00 . A A . 12 LYS C 1 1 10 3239 1 1 12 LYS CA C 2.748 -0.990 -2.271 1.00 . A A . 12 LYS CA 1 1 10 3240 1 1 12 LYS CB C 1.943 -1.219 -3.556 1.00 . A A . 12 LYS CB 1 1 10 3241 1 1 12 LYS CD C 2.233 -3.698 -3.599 1.00 . A A . 12 LYS CD 1 1 10 3242 1 1 12 LYS CE C 1.572 -5.057 -3.543 1.00 . A A . 12 LYS CE 1 1 10 3243 1 1 12 LYS CG C 1.227 -2.562 -3.596 1.00 . A A . 12 LYS CG 1 1 10 3244 1 1 12 LYS H H 0.915 -0.734 -1.256 1.00 . A A . 12 LYS H 1 1 10 3245 1 1 12 LYS HA H 3.379 -1.848 -2.103 1.00 . A A . 12 LYS HA 1 1 10 3246 1 1 12 LYS HB2 H 1.205 -0.437 -3.646 1.00 . A A . 12 LYS HB2 1 1 10 3247 1 1 12 LYS HB3 H 2.614 -1.168 -4.400 1.00 . A A . 12 LYS HB3 1 1 10 3248 1 1 12 LYS HD2 H 2.827 -3.642 -4.498 1.00 . A A . 12 LYS HD2 1 1 10 3249 1 1 12 LYS HD3 H 2.879 -3.598 -2.741 1.00 . A A . 12 LYS HD3 1 1 10 3250 1 1 12 LYS HE2 H 1.010 -5.131 -2.624 1.00 . A A . 12 LYS HE2 1 1 10 3251 1 1 12 LYS HE3 H 0.906 -5.164 -4.386 1.00 . A A . 12 LYS HE3 1 1 10 3252 1 1 12 LYS HG2 H 0.596 -2.650 -2.724 1.00 . A A . 12 LYS HG2 1 1 10 3253 1 1 12 LYS HG3 H 0.624 -2.619 -4.489 1.00 . A A . 12 LYS HG3 1 1 10 3254 1 1 12 LYS HZ1 H 3.058 -6.133 -4.504 1.00 . A A . 12 LYS HZ1 1 1 10 3255 1 1 12 LYS HZ2 H 2.180 -7.071 -3.411 1.00 . A A . 12 LYS HZ2 1 1 10 3256 1 1 12 LYS HZ3 H 3.324 -5.962 -2.871 1.00 . A A . 12 LYS HZ3 1 1 10 3257 1 1 12 LYS N N 1.876 -0.882 -1.121 1.00 . A A . 12 LYS N 1 1 10 3258 1 1 12 LYS NZ N 2.579 -6.129 -3.579 1.00 . A A . 12 LYS NZ 1 1 10 3259 1 1 12 LYS O O 4.878 0.056 -2.590 1.00 . A A . 12 LYS O 1 1 10 3260 1 1 13 ILE C C 4.818 2.750 -1.082 1.00 . A A . 13 ILE C 1 1 10 3261 1 1 13 ILE CA C 3.904 2.624 -2.322 1.00 . A A . 13 ILE CA 1 1 10 3262 1 1 13 ILE CB C 3.006 3.900 -2.527 1.00 . A A . 13 ILE CB 1 1 10 3263 1 1 13 ILE CD1 C 3.045 6.410 -3.057 1.00 . A A . 13 ILE CD1 1 1 10 3264 1 1 13 ILE CG1 C 3.856 5.156 -2.765 1.00 . A A . 13 ILE CG1 1 1 10 3265 1 1 13 ILE CG2 C 2.061 4.110 -1.360 1.00 . A A . 13 ILE CG2 1 1 10 3266 1 1 13 ILE H H 2.139 1.461 -2.088 1.00 . A A . 13 ILE H 1 1 10 3267 1 1 13 ILE HA H 4.549 2.503 -3.182 1.00 . A A . 13 ILE HA 1 1 10 3268 1 1 13 ILE HB H 2.396 3.726 -3.401 1.00 . A A . 13 ILE HB 1 1 10 3269 1 1 13 ILE HD11 H 2.395 6.620 -2.220 1.00 . A A . 13 ILE HD11 1 1 10 3270 1 1 13 ILE HD12 H 2.451 6.257 -3.945 1.00 . A A . 13 ILE HD12 1 1 10 3271 1 1 13 ILE HD13 H 3.713 7.244 -3.211 1.00 . A A . 13 ILE HD13 1 1 10 3272 1 1 13 ILE HG12 H 4.457 5.349 -1.888 1.00 . A A . 13 ILE HG12 1 1 10 3273 1 1 13 ILE HG13 H 4.507 4.975 -3.607 1.00 . A A . 13 ILE HG13 1 1 10 3274 1 1 13 ILE HG21 H 1.450 3.228 -1.251 1.00 . A A . 13 ILE HG21 1 1 10 3275 1 1 13 ILE HG22 H 1.433 4.968 -1.549 1.00 . A A . 13 ILE HG22 1 1 10 3276 1 1 13 ILE HG23 H 2.632 4.266 -0.457 1.00 . A A . 13 ILE HG23 1 1 10 3277 1 1 13 ILE N N 3.109 1.404 -2.238 1.00 . A A . 13 ILE N 1 1 10 3278 1 1 13 ILE O O 5.863 3.427 -1.112 1.00 . A A . 13 ILE O 1 1 10 3279 1 1 14 LEU C C 6.411 1.119 1.013 1.00 . A A . 14 LEU C 1 1 10 3280 1 1 14 LEU CA C 5.213 2.015 1.211 1.00 . A A . 14 LEU CA 1 1 10 3281 1 1 14 LEU CB C 4.377 1.497 2.389 1.00 . A A . 14 LEU CB 1 1 10 3282 1 1 14 LEU CD1 C 5.468 2.852 4.213 1.00 . A A . 14 LEU CD1 1 1 10 3283 1 1 14 LEU CD2 C 4.206 0.770 4.779 1.00 . A A . 14 LEU CD2 1 1 10 3284 1 1 14 LEU CG C 5.082 1.454 3.750 1.00 . A A . 14 LEU CG 1 1 10 3285 1 1 14 LEU H H 3.577 1.579 -0.050 1.00 . A A . 14 LEU H 1 1 10 3286 1 1 14 LEU HA H 5.565 3.009 1.438 1.00 . A A . 14 LEU HA 1 1 10 3287 1 1 14 LEU HB2 H 3.493 2.109 2.482 1.00 . A A . 14 LEU HB2 1 1 10 3288 1 1 14 LEU HB3 H 4.062 0.492 2.147 1.00 . A A . 14 LEU HB3 1 1 10 3289 1 1 14 LEU HD11 H 6.139 3.300 3.496 1.00 . A A . 14 LEU HD11 1 1 10 3290 1 1 14 LEU HD12 H 5.960 2.792 5.172 1.00 . A A . 14 LEU HD12 1 1 10 3291 1 1 14 LEU HD13 H 4.579 3.460 4.302 1.00 . A A . 14 LEU HD13 1 1 10 3292 1 1 14 LEU HD21 H 3.282 1.317 4.887 1.00 . A A . 14 LEU HD21 1 1 10 3293 1 1 14 LEU HD22 H 4.720 0.741 5.727 1.00 . A A . 14 LEU HD22 1 1 10 3294 1 1 14 LEU HD23 H 3.991 -0.238 4.456 1.00 . A A . 14 LEU HD23 1 1 10 3295 1 1 14 LEU HG H 5.993 0.882 3.649 1.00 . A A . 14 LEU HG 1 1 10 3296 1 1 14 LEU N N 4.430 2.064 -0.009 1.00 . A A . 14 LEU N 1 1 10 3297 1 1 14 LEU O O 7.537 1.580 1.073 1.00 . A A . 14 LEU O 1 1 10 3298 1 1 15 ALA C C 8.172 -0.845 -0.573 1.00 . A A . 15 ALA C 1 1 10 3299 1 1 15 ALA CA C 7.176 -1.180 0.534 1.00 . A A . 15 ALA CA 1 1 10 3300 1 1 15 ALA CB C 6.530 -2.531 0.280 1.00 . A A . 15 ALA CB 1 1 10 3301 1 1 15 ALA H H 5.208 -0.419 0.567 1.00 . A A . 15 ALA H 1 1 10 3302 1 1 15 ALA HA H 7.716 -1.241 1.468 1.00 . A A . 15 ALA HA 1 1 10 3303 1 1 15 ALA HB1 H 5.978 -2.492 -0.647 1.00 . A A . 15 ALA HB1 1 1 10 3304 1 1 15 ALA HB2 H 5.856 -2.767 1.090 1.00 . A A . 15 ALA HB2 1 1 10 3305 1 1 15 ALA HB3 H 7.295 -3.290 0.211 1.00 . A A . 15 ALA HB3 1 1 10 3306 1 1 15 ALA N N 6.146 -0.148 0.694 1.00 . A A . 15 ALA N 1 1 10 3307 1 1 15 ALA O O 9.280 -1.396 -0.619 1.00 . A A . 15 ALA O 1 1 10 3308 1 1 16 ALA C C 9.821 1.279 -1.895 1.00 . A A . 16 ALA C 1 1 10 3309 1 1 16 ALA CA C 8.658 0.498 -2.505 1.00 . A A . 16 ALA CA 1 1 10 3310 1 1 16 ALA CB C 7.898 1.349 -3.507 1.00 . A A . 16 ALA CB 1 1 10 3311 1 1 16 ALA H H 6.856 0.366 -1.422 1.00 . A A . 16 ALA H 1 1 10 3312 1 1 16 ALA HA H 9.046 -0.372 -3.011 1.00 . A A . 16 ALA HA 1 1 10 3313 1 1 16 ALA HB1 H 8.567 1.670 -4.291 1.00 . A A . 16 ALA HB1 1 1 10 3314 1 1 16 ALA HB2 H 7.486 2.210 -3.002 1.00 . A A . 16 ALA HB2 1 1 10 3315 1 1 16 ALA HB3 H 7.093 0.768 -3.934 1.00 . A A . 16 ALA HB3 1 1 10 3316 1 1 16 ALA N N 7.779 0.037 -1.466 1.00 . A A . 16 ALA N 1 1 10 3317 1 1 16 ALA O O 10.974 1.012 -2.190 1.00 . A A . 16 ALA O 1 1 10 3318 1 1 17 ALA C C 11.038 2.384 0.916 1.00 . A A . 17 ALA C 1 1 10 3319 1 1 17 ALA CA C 10.541 3.021 -0.378 1.00 . A A . 17 ALA CA 1 1 10 3320 1 1 17 ALA CB C 10.006 4.418 -0.104 1.00 . A A . 17 ALA CB 1 1 10 3321 1 1 17 ALA H H 8.573 2.316 -0.750 1.00 . A A . 17 ALA H 1 1 10 3322 1 1 17 ALA HA H 11.369 3.102 -1.065 1.00 . A A . 17 ALA HA 1 1 10 3323 1 1 17 ALA HB1 H 10.792 5.030 0.314 1.00 . A A . 17 ALA HB1 1 1 10 3324 1 1 17 ALA HB2 H 9.185 4.358 0.595 1.00 . A A . 17 ALA HB2 1 1 10 3325 1 1 17 ALA HB3 H 9.662 4.855 -1.028 1.00 . A A . 17 ALA HB3 1 1 10 3326 1 1 17 ALA N N 9.513 2.203 -1.005 1.00 . A A . 17 ALA N 1 1 10 3327 1 1 17 ALA O O 12.251 2.224 1.126 1.00 . A A . 17 ALA O 1 1 10 3328 1 1 18 PHE C C 10.846 -0.046 2.854 1.00 . A A . 18 PHE C 1 1 10 3329 1 1 18 PHE CA C 10.397 1.397 3.030 1.00 . A A . 18 PHE CA 1 1 10 3330 1 1 18 PHE CB C 9.143 1.497 3.927 1.00 . A A . 18 PHE CB 1 1 10 3331 1 1 18 PHE CD1 C 9.761 1.942 6.320 1.00 . A A . 18 PHE CD1 1 1 10 3332 1 1 18 PHE CD2 C 9.053 -0.241 5.733 1.00 . A A . 18 PHE CD2 1 1 10 3333 1 1 18 PHE CE1 C 9.920 1.542 7.632 1.00 . A A . 18 PHE CE1 1 1 10 3334 1 1 18 PHE CE2 C 9.211 -0.647 7.041 1.00 . A A . 18 PHE CE2 1 1 10 3335 1 1 18 PHE CG C 9.328 1.054 5.356 1.00 . A A . 18 PHE CG 1 1 10 3336 1 1 18 PHE CZ C 9.646 0.245 7.991 1.00 . A A . 18 PHE CZ 1 1 10 3337 1 1 18 PHE H H 9.165 1.988 1.452 1.00 . A A . 18 PHE H 1 1 10 3338 1 1 18 PHE HA H 11.199 1.971 3.470 1.00 . A A . 18 PHE HA 1 1 10 3339 1 1 18 PHE HB2 H 8.814 2.525 3.950 1.00 . A A . 18 PHE HB2 1 1 10 3340 1 1 18 PHE HB3 H 8.360 0.895 3.489 1.00 . A A . 18 PHE HB3 1 1 10 3341 1 1 18 PHE HD1 H 9.980 2.963 6.040 1.00 . A A . 18 PHE HD1 1 1 10 3342 1 1 18 PHE HD2 H 8.713 -0.936 4.980 1.00 . A A . 18 PHE HD2 1 1 10 3343 1 1 18 PHE HE1 H 10.260 2.246 8.377 1.00 . A A . 18 PHE HE1 1 1 10 3344 1 1 18 PHE HE2 H 8.996 -1.668 7.321 1.00 . A A . 18 PHE HE2 1 1 10 3345 1 1 18 PHE HZ H 9.769 -0.073 9.017 1.00 . A A . 18 PHE HZ 1 1 10 3346 1 1 18 PHE N N 10.108 1.959 1.732 1.00 . A A . 18 PHE N 1 1 10 3347 1 1 18 PHE O O 10.065 -0.911 2.458 1.00 . A A . 18 PHE O 1 1 10 3348 1 1 19 LYS C C 13.590 -1.916 4.080 1.00 . A A . 19 LYS C 1 1 10 3349 1 1 19 LYS CA C 12.679 -1.576 2.916 1.00 . A A . 19 LYS CA 1 1 10 3350 1 1 19 LYS CB C 13.399 -1.662 1.544 1.00 . A A . 19 LYS CB 1 1 10 3351 1 1 19 LYS CD C 15.104 -0.710 -0.080 1.00 . A A . 19 LYS CD 1 1 10 3352 1 1 19 LYS CE C 14.106 -0.500 -1.208 1.00 . A A . 19 LYS CE 1 1 10 3353 1 1 19 LYS CG C 14.455 -0.578 1.292 1.00 . A A . 19 LYS CG 1 1 10 3354 1 1 19 LYS H H 12.660 0.421 3.488 1.00 . A A . 19 LYS H 1 1 10 3355 1 1 19 LYS HA H 11.865 -2.286 2.924 1.00 . A A . 19 LYS HA 1 1 10 3356 1 1 19 LYS HB2 H 13.884 -2.623 1.466 1.00 . A A . 19 LYS HB2 1 1 10 3357 1 1 19 LYS HB3 H 12.648 -1.591 0.772 1.00 . A A . 19 LYS HB3 1 1 10 3358 1 1 19 LYS HD2 H 15.884 0.030 -0.169 1.00 . A A . 19 LYS HD2 1 1 10 3359 1 1 19 LYS HD3 H 15.535 -1.697 -0.168 1.00 . A A . 19 LYS HD3 1 1 10 3360 1 1 19 LYS HE2 H 14.613 -0.663 -2.147 1.00 . A A . 19 LYS HE2 1 1 10 3361 1 1 19 LYS HE3 H 13.308 -1.219 -1.108 1.00 . A A . 19 LYS HE3 1 1 10 3362 1 1 19 LYS HG2 H 13.987 0.392 1.364 1.00 . A A . 19 LYS HG2 1 1 10 3363 1 1 19 LYS HG3 H 15.217 -0.669 2.052 1.00 . A A . 19 LYS HG3 1 1 10 3364 1 1 19 LYS HZ1 H 12.791 0.945 -1.935 1.00 . A A . 19 LYS HZ1 1 1 10 3365 1 1 19 LYS HZ2 H 14.268 1.567 -1.442 1.00 . A A . 19 LYS HZ2 1 1 10 3366 1 1 19 LYS HZ3 H 13.133 1.140 -0.292 1.00 . A A . 19 LYS HZ3 1 1 10 3367 1 1 19 LYS N N 12.095 -0.287 3.110 1.00 . A A . 19 LYS N 1 1 10 3368 1 1 19 LYS NZ N 13.536 0.866 -1.209 1.00 . A A . 19 LYS NZ 1 1 10 3369 1 1 19 LYS O O 13.208 -2.764 4.907 1.00 . A A . 19 LYS O 1 1 10 3370 1 1 19 LYS OXT O 14.671 -1.299 4.214 1.00 . A A . 19 LYS OXT 1 1 stop_ save_
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