NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
638281 | 6qxc | 34367 | cing | 4-filtered-FRED | STAR | entry | full | 90 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6qxc # This FRED archive file contains, for PDB entry <6qxc>: # # - 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_6qxc _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 6qxc _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 1694.14 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 $PHE_VAL_TCP_TRP_PHE_SER_LYS_PHE_LEU_GLY_ARG_ILE_LEU_NH2 A . 1 1 stop_ save_ save_PHE_VAL_TCP_TRP_PHE_SER_LYS_PHE_LEU_GLY_ARG_ILE_LEU_NH2 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "PHE VAL TCP TRP PHE SER LYS PHE LEU GLY ARG ILE LEU NH2" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code FVXWFSKFLGRILX _Entity.Number_of_monomers 14 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 PHE . 1 1 2 VAL . 1 1 3 . $. 1 1 4 TRP . 1 1 5 PHE . 1 1 6 SER . 1 1 7 LYS . 1 1 8 PHE . 1 1 9 LEU . 1 1 10 GLY . 1 1 11 ARG . 1 1 12 ILE . 1 1 13 LEU . 1 1 14 NH2 $NH2 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 PHE 1 1 1 1 VAL 2 2 1 1 . 3 3 1 1 TRP 4 4 1 1 PHE 5 5 1 1 SER 6 6 1 1 LYS 7 7 1 1 PHE 8 8 1 1 LEU 9 9 1 1 GLY 10 10 1 1 ARG 11 11 1 1 ILE 12 12 1 1 LEU 13 13 1 1 NH2 14 14 1 1 stop_ save_ save_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID NH2 _Chem_comp.Type non-polymer save_ save_. _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID . _Chem_comp.Type non-polymer save_ save_DYANA/DIANA_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 1 PHE HA . 1 PHE HA 1 1 1 1 2 1 1 1 PHE HB2 . 1 PHE HB2 1 1 2 1 1 1 1 1 PHE HA . 1 PHE HA 1 1 2 1 2 1 1 1 PHE HB3 . 1 PHE HB3 1 1 3 1 1 1 1 1 PHE HA . 1 PHE HA 1 1 3 1 2 1 1 2 VAL H . 2 VAL HN 1 1 4 1 1 1 1 1 PHE QB . 1 PHE QB 1 1 4 1 2 1 1 2 VAL H . 2 VAL HN 1 1 5 1 1 1 1 1 PHE QD . 1 PHE QD 1 1 5 1 2 1 1 2 VAL H . 2 VAL HN 1 1 6 1 1 1 1 1 PHE QE . 1 PHE QE 1 1 6 1 2 1 1 2 VAL H . 2 VAL HN 1 1 7 1 1 1 1 2 VAL H . 2 VAL HN 1 1 7 1 2 1 1 2 VAL HB . 2 VAL HB 1 1 8 1 1 1 1 2 VAL H . 2 VAL HN 1 1 8 1 2 1 1 2 VAL MG1 . 2 VAL QG1 1 1 9 1 1 1 1 2 VAL HB . 2 VAL HB 1 1 9 1 2 1 1 4 TRP HE1 . 4 TRP HE1 1 1 10 1 1 1 1 2 VAL MG1 . 2 VAL QG1 1 1 10 1 2 1 1 4 TRP HZ2 . 4 TRP HZ2 1 1 11 1 1 1 1 2 VAL MG2 . 2 VAL QG2 1 1 11 1 2 1 1 4 TRP HD1 . 4 TRP HD1 1 1 12 1 1 1 1 2 VAL MG2 . 2 VAL QG2 1 1 12 1 2 1 1 4 TRP HZ2 . 4 TRP HZ2 1 1 13 1 1 1 1 2 VAL MG2 . 2 VAL QG2 1 1 13 1 2 1 1 5 PHE QD . 5 PHE QD 1 1 14 1 1 1 1 4 TRP H . 4 TRP HN 1 1 14 1 2 1 1 4 TRP HD1 . 4 TRP HD1 1 1 15 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 15 1 2 1 1 4 TRP HD1 . 4 TRP HD1 1 1 16 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 16 1 2 1 1 7 LYS QG . 7 LYS QG 1 1 17 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 17 1 2 1 1 5 PHE QD . 5 PHE QD 1 1 18 1 1 1 1 5 PHE H . 5 PHE HN 1 1 18 1 2 1 1 5 PHE HB2 . 5 PHE HB2 1 1 19 1 1 1 1 5 PHE H . 5 PHE HN 1 1 19 1 2 1 1 5 PHE QB . 5 PHE QB 1 1 20 1 1 1 1 5 PHE H . 5 PHE HN 1 1 20 1 2 1 1 5 PHE HB3 . 5 PHE HB3 1 1 21 1 1 1 1 5 PHE HA . 5 PHE HA 1 1 21 1 2 1 1 6 SER H . 6 SER HN 1 1 22 1 1 1 1 5 PHE HB2 . 5 PHE HB2 1 1 22 1 2 1 1 6 SER H . 6 SER HN 1 1 23 1 1 1 1 5 PHE HB3 . 5 PHE HB3 1 1 23 1 2 1 1 6 SER H . 6 SER HN 1 1 24 1 1 1 1 5 PHE QD . 5 PHE QD 1 1 24 1 2 1 1 9 LEU QD . 9 LEU QQD 1 1 25 1 1 1 1 6 SER H . 6 SER HN 1 1 25 1 2 1 1 7 LYS H . 7 LYS HN 1 1 26 1 1 1 1 6 SER HA . 6 SER HA 1 1 26 1 2 1 1 9 LEU H . 9 LEU HN 1 1 27 1 1 1 1 6 SER HA . 6 SER HA 1 1 27 1 2 1 1 9 LEU HB2 . 9 LEU HB2 1 1 28 1 1 1 1 6 SER HA . 6 SER HA 1 1 28 1 2 1 1 9 LEU QB . 9 LEU QB 1 1 29 1 1 1 1 6 SER HA . 6 SER HA 1 1 29 1 2 1 1 9 LEU HB3 . 9 LEU HB3 1 1 30 1 1 1 1 6 SER QB . 6 SER QB 1 1 30 1 2 1 1 7 LYS H . 7 LYS HN 1 1 31 1 1 1 1 7 LYS HA . 7 LYS HA 1 1 31 1 2 1 1 10 GLY H . 10 GLY HN 1 1 32 1 1 1 1 7 LYS QB . 7 LYS QB 1 1 32 1 2 1 1 8 PHE H . 8 PHE HN 1 1 33 1 1 1 1 8 PHE H . 8 PHE HN 1 1 33 1 2 1 1 8 PHE HA . 8 PHE HA 1 1 34 1 1 1 1 8 PHE H . 8 PHE HN 1 1 34 1 2 1 1 8 PHE QB . 8 PHE QB 1 1 35 1 1 1 1 8 PHE H . 8 PHE HN 1 1 35 1 2 1 1 9 LEU H . 9 LEU HN 1 1 36 1 1 1 1 8 PHE H . 8 PHE HN 1 1 36 1 2 1 1 10 GLY H . 10 GLY HN 1 1 37 1 1 1 1 8 PHE HA . 8 PHE HA 1 1 37 1 2 1 1 11 ARG QB . 11 ARG QB 1 1 38 1 1 1 1 8 PHE QB . 8 PHE QB 1 1 38 1 2 1 1 9 LEU H . 9 LEU HN 1 1 39 1 1 1 1 8 PHE QD . 8 PHE QD 1 1 39 1 2 1 1 9 LEU H . 9 LEU HN 1 1 40 1 1 1 1 8 PHE QD . 8 PHE QD 1 1 40 1 2 1 1 12 ILE MD . 12 ILE QD1 1 1 41 1 1 1 1 8 PHE QE . 8 PHE QE 1 1 41 1 2 1 1 12 ILE MD . 12 ILE QD1 1 1 42 1 1 1 1 9 LEU H . 9 LEU HN 1 1 42 1 2 1 1 9 LEU HB2 . 9 LEU HB2 1 1 43 1 1 1 1 9 LEU H . 9 LEU HN 1 1 43 1 2 1 1 9 LEU QB . 9 LEU QB 1 1 44 1 1 1 1 9 LEU H . 9 LEU HN 1 1 44 1 2 1 1 9 LEU HB3 . 9 LEU HB3 1 1 45 1 1 1 1 9 LEU H . 9 LEU HN 1 1 45 1 2 1 1 9 LEU HG . 9 LEU HG 1 1 46 1 1 1 1 9 LEU H . 9 LEU HN 1 1 46 1 2 1 1 10 GLY H . 10 GLY HN 1 1 47 1 1 1 1 9 LEU HA . 9 LEU HA 1 1 47 1 2 1 1 12 ILE H . 12 ILE HN 1 1 48 1 1 1 1 9 LEU HA . 9 LEU HA 1 1 48 1 2 1 1 12 ILE MD . 12 ILE QD1 1 1 49 1 1 1 1 9 LEU HA . 9 LEU HA 1 1 49 1 2 1 1 12 ILE QG . 12 ILE QG1 1 1 50 1 1 1 1 9 LEU HA . 9 LEU HA 1 1 50 1 2 1 1 13 LEU H . 13 LEU HN 1 1 51 1 1 1 1 9 LEU QB . 9 LEU QB 1 1 51 1 2 1 1 10 GLY H . 10 GLY HN 1 1 52 1 1 1 1 9 LEU HB2 . 9 LEU HB2 1 1 52 1 2 1 1 10 GLY H . 10 GLY HN 1 1 53 1 1 1 1 9 LEU HB3 . 9 LEU HB3 1 1 53 1 2 1 1 10 GLY H . 10 GLY HN 1 1 54 1 1 1 1 9 LEU QD . 9 LEU QQD 1 1 54 1 2 1 1 10 GLY H . 10 GLY HN 1 1 55 1 1 1 1 9 LEU HG . 9 LEU HG 1 1 55 1 2 1 1 10 GLY H . 10 GLY HN 1 1 56 1 1 1 1 10 GLY H . 10 GLY HN 1 1 56 1 2 1 1 10 GLY QA . 10 GLY QA 1 1 57 1 1 1 1 10 GLY H . 10 GLY HN 1 1 57 1 2 1 1 10 GLY HA3 . 10 GLY HA2 1 1 58 1 1 1 1 10 GLY H . 10 GLY HN 1 1 58 1 2 1 1 11 ARG H . 11 ARG HN 1 1 59 1 1 1 1 10 GLY QA . 10 GLY QA 1 1 59 1 2 1 1 11 ARG H . 11 ARG HN 1 1 60 1 1 1 1 10 GLY QA . 10 GLY QA 1 1 60 1 2 1 1 13 LEU H . 13 LEU HN 1 1 61 1 1 1 1 10 GLY QA . 10 GLY QA 1 1 61 1 2 1 1 13 LEU QB . 13 LEU QB 1 1 62 1 1 1 1 10 GLY HA3 . 10 GLY HA2 1 1 62 1 2 1 1 11 ARG H . 11 ARG HN 1 1 63 1 1 1 1 11 ARG H . 11 ARG HN 1 1 63 1 2 1 1 11 ARG HA . 11 ARG HA 1 1 64 1 1 1 1 11 ARG H . 11 ARG HN 1 1 64 1 2 1 1 11 ARG HG2 . 11 ARG HG2 1 1 65 1 1 1 1 11 ARG H . 11 ARG HN 1 1 65 1 2 1 1 11 ARG QG . 11 ARG QG 1 1 66 1 1 1 1 11 ARG H . 11 ARG HN 1 1 66 1 2 1 1 11 ARG HG3 . 11 ARG HG3 1 1 67 1 1 1 1 11 ARG HA . 11 ARG HA 1 1 67 1 2 1 1 11 ARG HD2 . 11 ARG HD2 1 1 68 1 1 1 1 11 ARG HA . 11 ARG HA 1 1 68 1 2 1 1 11 ARG QD . 11 ARG QD 1 1 69 1 1 1 1 11 ARG HA . 11 ARG HA 1 1 69 1 2 1 1 11 ARG HD3 . 11 ARG HD3 1 1 70 1 1 1 1 11 ARG HA . 11 ARG HA 1 1 70 1 2 1 1 11 ARG HG2 . 11 ARG HG2 1 1 71 1 1 1 1 11 ARG HA . 11 ARG HA 1 1 71 1 2 1 1 11 ARG HG3 . 11 ARG HG3 1 1 72 1 1 1 1 11 ARG HA . 11 ARG HA 1 1 72 1 2 1 1 12 ILE H . 12 ILE HN 1 1 73 1 1 1 1 11 ARG HA . 11 ARG HA 1 1 73 1 2 1 1 13 LEU H . 13 LEU HN 1 1 74 1 1 1 1 12 ILE H . 12 ILE HN 1 1 74 1 2 1 1 12 ILE HB . 12 ILE HB 1 1 75 1 1 1 1 12 ILE H . 12 ILE HN 1 1 75 1 2 1 1 12 ILE MD . 12 ILE QD1 1 1 76 1 1 1 1 12 ILE H . 12 ILE HN 1 1 76 1 2 1 1 12 ILE HG12 . 12 ILE HG12 1 1 77 1 1 1 1 12 ILE H . 12 ILE HN 1 1 77 1 2 1 1 12 ILE HG13 . 12 ILE HG13 1 1 78 1 1 1 1 12 ILE H . 12 ILE HN 1 1 78 1 2 1 1 12 ILE MG . 12 ILE QG2 1 1 79 1 1 1 1 12 ILE H . 12 ILE HN 1 1 79 1 2 1 1 13 LEU H . 13 LEU HN 1 1 80 1 1 1 1 12 ILE HA . 12 ILE HA 1 1 80 1 2 1 1 12 ILE HG12 . 12 ILE HG12 1 1 81 1 1 1 1 12 ILE HA . 12 ILE HA 1 1 81 1 2 1 1 12 ILE QG . 12 ILE QG1 1 1 82 1 1 1 1 12 ILE HA . 12 ILE HA 1 1 82 1 2 1 1 12 ILE HG13 . 12 ILE HG13 1 1 83 1 1 1 1 12 ILE HA . 12 ILE HA 1 1 83 1 2 1 1 13 LEU H . 13 LEU HN 1 1 84 1 1 1 1 12 ILE HB . 12 ILE HB 1 1 84 1 2 1 1 13 LEU H . 13 LEU HN 1 1 85 1 1 1 1 12 ILE MD . 12 ILE QD1 1 1 85 1 2 1 1 13 LEU H . 13 LEU HN 1 1 86 1 1 1 1 12 ILE QG . 12 ILE QG1 1 1 86 1 2 1 1 13 LEU H . 13 LEU HN 1 1 87 1 1 1 1 12 ILE MG . 12 ILE QG2 1 1 87 1 2 1 1 13 LEU H . 13 LEU HN 1 1 88 1 1 1 1 13 LEU H . 13 LEU HN 1 1 88 1 2 1 1 13 LEU QB . 13 LEU QB 1 1 89 1 1 1 1 13 LEU H . 13 LEU HN 1 1 89 1 2 1 1 13 LEU HG . 13 LEU HG 1 1 90 1 1 1 1 13 LEU HA . 13 LEU HA 1 1 90 1 2 1 1 13 LEU HG . 13 LEU HG 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . . . 2.8 1 1 2 1 . . . . . . . 2.8 1 1 3 1 . . . . . . . 2.55 1 1 4 1 . . . . . . . 3.5 1 1 5 1 . . . . . . . 6.64 1 1 6 1 . . . . . . . 7.63 1 1 7 1 . . . . . . . 2.9 1 1 8 1 . . . . . . . 4.16 1 1 9 1 . . . . . . . 5.38 1 1 10 1 . . . . . . . 6.05 1 1 11 1 . . . . . . . 5.99 1 1 12 1 . . . . . . . 6.08 1 1 13 1 . . . . . . . 8.37 1 1 14 1 . . . . . . . 4.85 1 1 15 1 . . . . . . . 3.7 1 1 16 1 . . . . . . . 6.38 1 1 17 1 . . . . . . . 8.51 1 1 18 1 . . . . . . . 4.04 1 1 19 1 . . . . . . . 3.44 1 1 20 1 . . . . . . . 4.04 1 1 21 1 . . . . . . . 3.57 1 1 22 1 . . . . . . . 3.64 1 1 23 1 . . . . . . . 3.64 1 1 24 1 . . . . . . . 9.69 1 1 25 1 . . . . . . . 3.17 1 1 26 1 . . . . . . . 3.98 1 1 27 1 . . . . . . . 4.11 1 1 28 1 . . . . . . . 3.24 1 1 29 1 . . . . . . . 4.11 1 1 30 1 . . . . . . . 4.83 1 1 31 1 . . . . . . . 3.61 1 1 32 1 . . . . . . . 5.48 1 1 33 1 . . . . . . . 2.86 1 1 34 1 . . . . . . . 3.84 1 1 35 1 . . . . . . . 3.27 1 1 36 1 . . . . . . . 3.83 1 1 37 1 . . . . . . . 4.92 1 1 38 1 . . . . . . . 4.58 1 1 39 1 . . . . . . . 7.47 1 1 40 1 . . . . . . . 7.81 1 1 41 1 . . . . . . . 7.69 1 1 42 1 . . . . . . . 3.58 1 1 43 1 . . . . . . . 2.8 1 1 44 1 . . . . . . . 3.58 1 1 45 1 . . . . . . . 5.5 1 1 46 1 . . . . . . . 3.17 1 1 47 1 . . . . . . . 3.67 1 1 48 1 . . . . . . . 5.81 1 1 49 1 . . . . . . . 4.73 1 1 50 1 . . . . . . . 3.7 1 1 51 1 . . . . . . . 3.02 1 1 52 1 . . . . . . . 3.67 1 1 53 1 . . . . . . . 3.67 1 1 54 1 . . . . . . . 7.5 1 1 55 1 . . . . . . . 5.5 1 1 56 1 . . . . . . . 2.47 1 1 57 1 . . . . . . . 2.9 1 1 58 1 . . . . . . . 3.21 1 1 59 1 . . . . . . . 3.04 1 1 60 1 . . . . . . . 4.06 1 1 61 1 . . . . . . . 4.16 1 1 62 1 . . . . . . . 3.55 1 1 63 1 . . . . . . . 2.93 1 1 64 1 . . . . . . . 4.38 1 1 65 1 . . . . . . . 3.58 1 1 66 1 . . . . . . . 4.38 1 1 67 1 . . . . . . . 4.14 1 1 68 1 . . . . . . . 3.61 1 1 69 1 . . . . . . . 4.14 1 1 70 1 . . . . . . . 3.7 1 1 71 1 . . . . . . . 3.7 1 1 72 1 . . . . . . . 3.45 1 1 73 1 . . . . . . . 4.07 1 1 74 1 . . . . . . . 3.48 1 1 75 1 . . . . . . . 5.81 1 1 76 1 . . . . . . . 3.86 1 1 77 1 . . . . . . . 3.86 1 1 78 1 . . . . . . . 4.75 1 1 79 1 . . . . . . . 2.99 1 1 80 1 . . . . . . . 3.98 1 1 81 1 . . . . . . . 3.39 1 1 82 1 . . . . . . . 3.98 1 1 83 1 . . . . . . . 3.36 1 1 84 1 . . . . . . . 3.7 1 1 85 1 . . . . . . . 6.52 1 1 86 1 . . . . . . . 4.47 1 1 87 1 . . . . . . . 5.03 1 1 88 1 . . . . . . . 3.87 1 1 89 1 . . . . . . . 3.64 1 1 90 1 . . . . . . . 2.96 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 PHE C C -10.818 4.673 0.005 1.00 . A A . 1 PHE C 1 1 1 2 1 1 1 PHE CA C -11.204 5.696 1.118 1.00 . A A . 1 PHE CA 1 1 1 3 1 1 1 PHE CB C -10.713 5.282 2.539 1.00 . A A . 1 PHE CB 1 1 1 4 1 1 1 PHE CD1 C -10.309 2.768 2.763 1.00 . A A . 1 PHE CD1 1 1 1 5 1 1 1 PHE CD2 C -12.333 3.688 3.705 1.00 . A A . 1 PHE CD2 1 1 1 6 1 1 1 PHE CE1 C -10.722 1.489 3.116 1.00 . A A . 1 PHE CE1 1 1 1 7 1 1 1 PHE CE2 C -12.742 2.409 4.063 1.00 . A A . 1 PHE CE2 1 1 1 8 1 1 1 PHE CG C -11.115 3.879 3.039 1.00 . A A . 1 PHE CG 1 1 1 9 1 1 1 PHE CZ C -11.941 1.309 3.769 1.00 . A A . 1 PHE CZ 1 1 1 10 1 1 1 PHE H1 H -12.984 6.647 1.784 1.00 . A A . 1 PHE H1 1 1 1 11 1 1 1 PHE H2 H -13.028 6.175 0.187 1.00 . A A . 1 PHE H2 1 1 1 12 1 1 1 PHE H3 H -13.152 5.052 1.363 1.00 . A A . 1 PHE H3 1 1 1 13 1 1 1 PHE HA H -10.705 6.654 0.864 1.00 . A A . 1 PHE HA 1 1 1 14 1 1 1 PHE HB2 H -9.606 5.348 2.557 1.00 . A A . 1 PHE HB2 1 1 1 15 1 1 1 PHE HB3 H -11.013 6.044 3.285 1.00 . A A . 1 PHE HB3 1 1 1 16 1 1 1 PHE HD1 H -9.367 2.883 2.243 1.00 . A A . 1 PHE HD1 1 1 1 17 1 1 1 PHE HD2 H -12.971 4.527 3.940 1.00 . A A . 1 PHE HD2 1 1 1 18 1 1 1 PHE HE1 H -10.107 0.631 2.879 1.00 . A A . 1 PHE HE1 1 1 1 19 1 1 1 PHE HE2 H -13.687 2.263 4.572 1.00 . A A . 1 PHE HE2 1 1 1 20 1 1 1 PHE HZ H -12.262 0.316 4.047 1.00 . A A . 1 PHE HZ 1 1 1 21 1 1 1 PHE N N -12.674 5.931 1.120 1.00 . A A . 1 PHE N 1 1 1 22 1 1 1 PHE O O -11.580 3.738 -0.260 1.00 . A A . 1 PHE O 1 1 1 23 1 1 2 VAL C C -8.633 2.477 -0.754 1.00 . A A . 2 VAL C 1 1 1 24 1 1 2 VAL CA C -9.123 3.764 -1.535 1.00 . A A . 2 VAL CA 1 1 1 25 1 1 2 VAL CB C -8.060 4.369 -2.506 1.00 . A A . 2 VAL CB 1 1 1 26 1 1 2 VAL CG1 C -6.678 4.581 -1.863 1.00 . A A . 2 VAL CG1 1 1 1 27 1 1 2 VAL CG2 C -7.872 3.516 -3.781 1.00 . A A . 2 VAL CG2 1 1 1 28 1 1 2 VAL H H -9.016 5.560 -0.291 1.00 . A A . 2 VAL H 1 1 1 29 1 1 2 VAL HA H -9.979 3.490 -2.180 1.00 . A A . 2 VAL HA 1 1 1 30 1 1 2 VAL HB H -8.431 5.357 -2.847 1.00 . A A . 2 VAL HB 1 1 1 31 1 1 2 VAL HG11 H -6.131 3.622 -1.773 1.00 . A A . 2 VAL HG11 1 1 1 32 1 1 2 VAL HG12 H -6.043 5.267 -2.451 1.00 . A A . 2 VAL HG12 1 1 1 33 1 1 2 VAL HG13 H -6.744 4.985 -0.836 1.00 . A A . 2 VAL HG13 1 1 1 34 1 1 2 VAL HG21 H -7.492 2.500 -3.553 1.00 . A A . 2 VAL HG21 1 1 1 35 1 1 2 VAL HG22 H -8.823 3.385 -4.332 1.00 . A A . 2 VAL HG22 1 1 1 36 1 1 2 VAL HG23 H -7.160 3.972 -4.493 1.00 . A A . 2 VAL HG23 1 1 1 37 1 1 2 VAL N N -9.638 4.814 -0.614 1.00 . A A . 2 VAL N 1 1 1 38 1 1 2 VAL O O -7.904 2.621 0.238 1.00 . A A . 2 VAL O 1 1 1 39 1 1 3 . C C -6.885 -0.211 -1.003 1.00 . A A . 3 PH6 C 1 1 1 40 1 1 3 . C1 C -11.043 -2.662 -3.210 1.00 . A A . 3 PH6 C1 1 1 1 41 1 1 3 . C2 C -11.136 -1.121 -3.034 1.00 . A A . 3 PH6 C2 1 1 1 42 1 1 3 . C3 C -11.627 -0.457 -4.360 1.00 . A A . 3 PH6 C3 1 1 1 43 1 1 3 . C4 C -12.987 -1.041 -4.800 1.00 . A A . 3 PH6 C4 1 1 1 44 1 1 3 . C5 C -12.897 -2.579 -4.947 1.00 . A A . 3 PH6 C5 1 1 1 45 1 1 3 . C6 C -12.403 -3.247 -3.642 1.00 . A A . 3 PH6 C6 1 1 1 46 1 1 3 . CA C -8.377 -0.007 -0.600 1.00 . A A . 3 PH6 CA 1 1 1 47 1 1 3 . CB C -9.327 -1.067 -1.170 1.00 . A A . 3 PH6 CB 1 1 1 48 1 1 3 . CD C -9.911 0.972 -2.264 1.00 . A A . 3 PH6 CD 1 1 1 49 1 1 3 . CG C -9.805 -0.526 -2.529 1.00 . A A . 3 PH6 CG 1 1 1 50 1 1 3 . H1 H -10.260 -2.915 -3.952 1.00 . A A . 3 PH6 H1 1 1 1 51 1 1 3 . H21 H -11.902 -0.920 -2.256 1.00 . A A . 3 PH6 H21 1 1 1 52 1 1 3 . H22 H -10.724 -3.145 -2.268 1.00 . A A . 3 PH6 H22 1 1 1 53 1 1 3 . H31 H -11.730 0.639 -4.249 1.00 . A A . 3 PH6 H31 1 1 1 54 1 1 3 . H32 H -10.876 -0.600 -5.162 1.00 . A A . 3 PH6 H32 1 1 1 55 1 1 3 . H41 H -13.318 -0.576 -5.748 1.00 . A A . 3 PH6 H41 1 1 1 56 1 1 3 . H42 H -13.762 -0.778 -4.053 1.00 . A A . 3 PH6 H42 1 1 1 57 1 1 3 . H51 H -13.877 -2.995 -5.242 1.00 . A A . 3 PH6 H51 1 1 1 58 1 1 3 . H52 H -12.202 -2.829 -5.773 1.00 . A A . 3 PH6 H52 1 1 1 59 1 1 3 . H61 H -12.321 -4.343 -3.766 1.00 . A A . 3 PH6 H61 1 1 1 60 1 1 3 . H62 H -13.143 -3.092 -2.832 1.00 . A A . 3 PH6 H62 1 1 1 61 1 1 3 . HA H -8.466 -0.021 0.505 1.00 . A A . 3 PH6 HA 1 1 1 62 1 1 3 . HB2 H -10.181 -1.230 -0.484 1.00 . A A . 3 PH6 HB2 1 1 1 63 1 1 3 . HB3 H -8.834 -2.047 -1.279 1.00 . A A . 3 PH6 HB3 1 1 1 64 1 1 3 . HD2 H -10.932 1.269 -1.948 1.00 . A A . 3 PH6 HD2 1 1 1 65 1 1 3 . HD3 H -9.673 1.523 -3.192 1.00 . A A . 3 PH6 HD3 1 1 1 66 1 1 3 . HG2 H -9.006 -0.699 -3.282 1.00 . A A . 3 PH6 HG2 1 1 1 67 1 1 3 . N N -8.962 1.230 -1.174 1.00 . A A . 3 PH6 N 1 1 1 68 1 1 3 . O O -6.532 -0.883 -1.978 1.00 . A A . 3 PH6 O 1 1 1 69 1 1 4 TRP C C -4.013 -1.093 0.063 1.00 . A A . 4 TRP C 1 1 1 70 1 1 4 TRP CA C -4.543 0.288 -0.429 1.00 . A A . 4 TRP CA 1 1 1 71 1 1 4 TRP CB C -3.841 1.467 0.292 1.00 . A A . 4 TRP CB 1 1 1 72 1 1 4 TRP CD1 C -3.235 2.846 -1.895 1.00 . A A . 4 TRP CD1 1 1 1 73 1 1 4 TRP CD2 C -3.706 4.050 -0.084 1.00 . A A . 4 TRP CD2 1 1 1 74 1 1 4 TRP CE2 C -3.426 4.912 -1.176 1.00 . A A . 4 TRP CE2 1 1 1 75 1 1 4 TRP CE3 C -4.051 4.585 1.183 1.00 . A A . 4 TRP CE3 1 1 1 76 1 1 4 TRP CG C -3.614 2.747 -0.531 1.00 . A A . 4 TRP CG 1 1 1 77 1 1 4 TRP CH2 C -3.857 6.823 0.241 1.00 . A A . 4 TRP CH2 1 1 1 78 1 1 4 TRP CZ2 C -3.519 6.313 -1.015 1.00 . A A . 4 TRP CZ2 1 1 1 79 1 1 4 TRP CZ3 C -4.112 5.972 1.324 1.00 . A A . 4 TRP CZ3 1 1 1 80 1 1 4 TRP H H -6.433 1.102 0.402 1.00 . A A . 4 TRP H 1 1 1 81 1 1 4 TRP HA H -4.346 0.371 -1.519 1.00 . A A . 4 TRP HA 1 1 1 82 1 1 4 TRP HB2 H -4.363 1.695 1.241 1.00 . A A . 4 TRP HB2 1 1 1 83 1 1 4 TRP HB3 H -2.861 1.127 0.647 1.00 . A A . 4 TRP HB3 1 1 1 84 1 1 4 TRP HD1 H -3.104 2.001 -2.559 1.00 . A A . 4 TRP HD1 1 1 1 85 1 1 4 TRP HE1 H -3.027 4.532 -3.275 1.00 . A A . 4 TRP HE1 1 1 1 86 1 1 4 TRP HE3 H -4.288 3.937 2.015 1.00 . A A . 4 TRP HE3 1 1 1 87 1 1 4 TRP HH2 H -3.946 7.892 0.373 1.00 . A A . 4 TRP HH2 1 1 1 88 1 1 4 TRP HZ2 H -3.357 6.972 -1.856 1.00 . A A . 4 TRP HZ2 1 1 1 89 1 1 4 TRP HZ3 H -4.388 6.392 2.281 1.00 . A A . 4 TRP HZ3 1 1 1 90 1 1 4 TRP N N -5.999 0.416 -0.228 1.00 . A A . 4 TRP N 1 1 1 91 1 1 4 TRP NE1 N -3.105 4.186 -2.309 1.00 . A A . 4 TRP NE1 1 1 1 92 1 1 4 TRP O O -4.087 -1.429 1.247 1.00 . A A . 4 TRP O 1 1 1 93 1 1 5 PHE C C -1.368 -3.244 -0.684 1.00 . A A . 5 PHE C 1 1 1 94 1 1 5 PHE CA C -2.922 -3.225 -0.606 1.00 . A A . 5 PHE CA 1 1 1 95 1 1 5 PHE CB C -3.576 -4.242 -1.585 1.00 . A A . 5 PHE CB 1 1 1 96 1 1 5 PHE CD1 C -5.888 -3.997 -2.615 1.00 . A A . 5 PHE CD1 1 1 1 97 1 1 5 PHE CD2 C -5.726 -4.824 -0.351 1.00 . A A . 5 PHE CD2 1 1 1 98 1 1 5 PHE CE1 C -7.272 -4.100 -2.552 1.00 . A A . 5 PHE CE1 1 1 1 99 1 1 5 PHE CE2 C -7.110 -4.918 -0.287 1.00 . A A . 5 PHE CE2 1 1 1 100 1 1 5 PHE CG C -5.103 -4.365 -1.517 1.00 . A A . 5 PHE CG 1 1 1 101 1 1 5 PHE CZ C -7.885 -4.568 -1.391 1.00 . A A . 5 PHE CZ 1 1 1 102 1 1 5 PHE H H -3.619 -1.513 -1.824 1.00 . A A . 5 PHE H 1 1 1 103 1 1 5 PHE HA H -3.180 -3.548 0.424 1.00 . A A . 5 PHE HA 1 1 1 104 1 1 5 PHE HB2 H -3.262 -4.019 -2.623 1.00 . A A . 5 PHE HB2 1 1 1 105 1 1 5 PHE HB3 H -3.151 -5.245 -1.391 1.00 . A A . 5 PHE HB3 1 1 1 106 1 1 5 PHE HD1 H -5.428 -3.612 -3.516 1.00 . A A . 5 PHE HD1 1 1 1 107 1 1 5 PHE HD2 H -5.133 -5.095 0.513 1.00 . A A . 5 PHE HD2 1 1 1 108 1 1 5 PHE HE1 H -7.873 -3.798 -3.399 1.00 . A A . 5 PHE HE1 1 1 1 109 1 1 5 PHE HE2 H -7.585 -5.260 0.622 1.00 . A A . 5 PHE HE2 1 1 1 110 1 1 5 PHE HZ H -8.959 -4.639 -1.339 1.00 . A A . 5 PHE HZ 1 1 1 111 1 1 5 PHE N N -3.439 -1.850 -0.874 1.00 . A A . 5 PHE N 1 1 1 112 1 1 5 PHE O O -0.686 -3.490 0.314 1.00 . A A . 5 PHE O 1 1 1 113 1 1 6 SER C C 1.162 -1.230 -1.575 1.00 . A A . 6 SER C 1 1 1 114 1 1 6 SER CA C 0.660 -2.654 -2.008 1.00 . A A . 6 SER CA 1 1 1 115 1 1 6 SER CB C 0.963 -2.967 -3.490 1.00 . A A . 6 SER CB 1 1 1 116 1 1 6 SER H H -1.483 -2.514 -2.521 1.00 . A A . 6 SER H 1 1 1 117 1 1 6 SER HA H 1.228 -3.382 -1.394 1.00 . A A . 6 SER HA 1 1 1 118 1 1 6 SER HB2 H 0.395 -2.298 -4.169 1.00 . A A . 6 SER HB2 1 1 1 119 1 1 6 SER HB3 H 2.029 -2.765 -3.713 1.00 . A A . 6 SER HB3 1 1 1 120 1 1 6 SER HG H -0.124 -4.576 -3.351 1.00 . A A . 6 SER HG 1 1 1 121 1 1 6 SER N N -0.803 -2.890 -1.852 1.00 . A A . 6 SER N 1 1 1 122 1 1 6 SER O O 2.133 -0.701 -2.118 1.00 . A A . 6 SER O 1 1 1 123 1 1 6 SER OG O 0.692 -4.334 -3.802 1.00 . A A . 6 SER OG 1 1 1 124 1 1 7 LYS C C 2.107 0.502 1.128 1.00 . A A . 7 LYS C 1 1 1 125 1 1 7 LYS CA C 1.024 0.664 0.028 1.00 . A A . 7 LYS CA 1 1 1 126 1 1 7 LYS CB C -0.217 1.435 0.535 1.00 . A A . 7 LYS CB 1 1 1 127 1 1 7 LYS CD C 0.668 3.765 -0.091 1.00 . A A . 7 LYS CD 1 1 1 128 1 1 7 LYS CE C 0.209 5.227 -0.097 1.00 . A A . 7 LYS CE 1 1 1 129 1 1 7 LYS CG C 0.053 2.872 1.019 1.00 . A A . 7 LYS CG 1 1 1 130 1 1 7 LYS H H -0.216 -1.180 -0.156 1.00 . A A . 7 LYS H 1 1 1 131 1 1 7 LYS HA H 1.489 1.264 -0.779 1.00 . A A . 7 LYS HA 1 1 1 132 1 1 7 LYS HB2 H -0.964 1.476 -0.279 1.00 . A A . 7 LYS HB2 1 1 1 133 1 1 7 LYS HB3 H -0.701 0.864 1.356 1.00 . A A . 7 LYS HB3 1 1 1 134 1 1 7 LYS HD2 H 1.776 3.683 -0.062 1.00 . A A . 7 LYS HD2 1 1 1 135 1 1 7 LYS HD3 H 0.411 3.346 -1.088 1.00 . A A . 7 LYS HD3 1 1 1 136 1 1 7 LYS HE2 H 0.711 5.771 -0.931 1.00 . A A . 7 LYS HE2 1 1 1 137 1 1 7 LYS HE3 H -0.871 5.254 -0.366 1.00 . A A . 7 LYS HE3 1 1 1 138 1 1 7 LYS HG2 H -0.902 3.285 1.400 1.00 . A A . 7 LYS HG2 1 1 1 139 1 1 7 LYS HG3 H 0.727 2.845 1.903 1.00 . A A . 7 LYS HG3 1 1 1 140 1 1 7 LYS HZ1 H 0.134 6.838 1.297 1.00 . A A . 7 LYS HZ1 1 1 1 141 1 1 7 LYS HZ2 H -0.032 5.353 1.976 1.00 . A A . 7 LYS HZ2 1 1 1 142 1 1 7 LYS HZ3 H 1.447 5.840 1.500 1.00 . A A . 7 LYS HZ3 1 1 1 143 1 1 7 LYS N N 0.545 -0.615 -0.554 1.00 . A A . 7 LYS N 1 1 1 144 1 1 7 LYS NZ N 0.457 5.864 1.227 1.00 . A A . 7 LYS NZ 1 1 1 145 1 1 7 LYS O O 3.162 1.138 1.058 1.00 . A A . 7 LYS O 1 1 1 146 1 1 8 PHE C C 4.009 -1.543 2.609 1.00 . A A . 8 PHE C 1 1 1 147 1 1 8 PHE CA C 2.819 -0.704 3.169 1.00 . A A . 8 PHE CA 1 1 1 148 1 1 8 PHE CB C 2.049 -1.413 4.319 1.00 . A A . 8 PHE CB 1 1 1 149 1 1 8 PHE CD1 C 2.883 -0.033 6.269 1.00 . A A . 8 PHE CD1 1 1 1 150 1 1 8 PHE CD2 C 3.345 -2.405 6.276 1.00 . A A . 8 PHE CD2 1 1 1 151 1 1 8 PHE CE1 C 3.583 0.110 7.459 1.00 . A A . 8 PHE CE1 1 1 1 152 1 1 8 PHE CE2 C 4.025 -2.263 7.480 1.00 . A A . 8 PHE CE2 1 1 1 153 1 1 8 PHE CG C 2.767 -1.289 5.662 1.00 . A A . 8 PHE CG 1 1 1 154 1 1 8 PHE CZ C 4.153 -1.006 8.069 1.00 . A A . 8 PHE CZ 1 1 1 155 1 1 8 PHE H H 0.958 -0.859 2.013 1.00 . A A . 8 PHE H 1 1 1 156 1 1 8 PHE HA H 3.268 0.234 3.555 1.00 . A A . 8 PHE HA 1 1 1 157 1 1 8 PHE HB2 H 1.027 -1.008 4.453 1.00 . A A . 8 PHE HB2 1 1 1 158 1 1 8 PHE HB3 H 1.877 -2.477 4.057 1.00 . A A . 8 PHE HB3 1 1 1 159 1 1 8 PHE HD1 H 2.456 0.841 5.796 1.00 . A A . 8 PHE HD1 1 1 1 160 1 1 8 PHE HD2 H 3.295 -3.378 5.805 1.00 . A A . 8 PHE HD2 1 1 1 161 1 1 8 PHE HE1 H 3.692 1.087 7.908 1.00 . A A . 8 PHE HE1 1 1 1 162 1 1 8 PHE HE2 H 4.490 -3.125 7.942 1.00 . A A . 8 PHE HE2 1 1 1 163 1 1 8 PHE HZ H 4.702 -0.894 8.991 1.00 . A A . 8 PHE HZ 1 1 1 164 1 1 8 PHE N N 1.815 -0.312 2.153 1.00 . A A . 8 PHE N 1 1 1 165 1 1 8 PHE O O 5.166 -1.186 2.826 1.00 . A A . 8 PHE O 1 1 1 166 1 1 9 LEU C C 5.471 -2.458 -0.055 1.00 . A A . 9 LEU C 1 1 1 167 1 1 9 LEU CA C 4.740 -3.307 1.025 1.00 . A A . 9 LEU CA 1 1 1 168 1 1 9 LEU CB C 4.104 -4.589 0.418 1.00 . A A . 9 LEU CB 1 1 1 169 1 1 9 LEU CD1 C 3.619 -5.935 2.532 1.00 . A A . 9 LEU CD1 1 1 1 170 1 1 9 LEU CD2 C 4.065 -7.096 0.333 1.00 . A A . 9 LEU CD2 1 1 1 171 1 1 9 LEU CG C 4.401 -5.883 1.209 1.00 . A A . 9 LEU CG 1 1 1 172 1 1 9 LEU H H 2.717 -2.647 1.579 1.00 . A A . 9 LEU H 1 1 1 173 1 1 9 LEU HA H 5.540 -3.612 1.732 1.00 . A A . 9 LEU HA 1 1 1 174 1 1 9 LEU HB2 H 3.012 -4.480 0.264 1.00 . A A . 9 LEU HB2 1 1 1 175 1 1 9 LEU HB3 H 4.487 -4.731 -0.612 1.00 . A A . 9 LEU HB3 1 1 1 176 1 1 9 LEU HD11 H 2.537 -5.762 2.386 1.00 . A A . 9 LEU HD11 1 1 1 177 1 1 9 LEU HD12 H 3.730 -6.912 3.038 1.00 . A A . 9 LEU HD12 1 1 1 178 1 1 9 LEU HD13 H 3.981 -5.170 3.245 1.00 . A A . 9 LEU HD13 1 1 1 179 1 1 9 LEU HD21 H 3.018 -7.084 -0.022 1.00 . A A . 9 LEU HD21 1 1 1 180 1 1 9 LEU HD22 H 4.714 -7.130 -0.564 1.00 . A A . 9 LEU HD22 1 1 1 181 1 1 9 LEU HD23 H 4.226 -8.049 0.869 1.00 . A A . 9 LEU HD23 1 1 1 182 1 1 9 LEU HG H 5.487 -5.932 1.437 1.00 . A A . 9 LEU HG 1 1 1 183 1 1 9 LEU N N 3.712 -2.580 1.809 1.00 . A A . 9 LEU N 1 1 1 184 1 1 9 LEU O O 6.688 -2.539 -0.108 1.00 . A A . 9 LEU O 1 1 1 185 1 1 10 GLY C C 6.548 0.234 -1.391 1.00 . A A . 10 GLY C 1 1 1 186 1 1 10 GLY CA C 5.461 -0.759 -1.881 1.00 . A A . 10 GLY CA 1 1 1 187 1 1 10 GLY H H 3.792 -1.564 -0.644 1.00 . A A . 10 GLY H 1 1 1 188 1 1 10 GLY HA2 H 5.912 -1.395 -2.666 1.00 . A A . 10 GLY HA2 1 1 1 189 1 1 10 GLY HA3 H 4.694 -0.169 -2.413 1.00 . A A . 10 GLY HA3 1 1 1 190 1 1 10 GLY N N 4.787 -1.639 -0.875 1.00 . A A . 10 GLY N 1 1 1 191 1 1 10 GLY O O 7.599 0.364 -2.015 1.00 . A A . 10 GLY O 1 1 1 192 1 1 11 ARG C C 8.548 0.842 1.050 1.00 . A A . 11 ARG C 1 1 1 193 1 1 11 ARG CA C 7.353 1.668 0.475 1.00 . A A . 11 ARG CA 1 1 1 194 1 1 11 ARG CB C 6.630 2.453 1.607 1.00 . A A . 11 ARG CB 1 1 1 195 1 1 11 ARG CD C 7.213 4.913 1.800 1.00 . A A . 11 ARG CD 1 1 1 196 1 1 11 ARG CG C 6.211 3.892 1.232 1.00 . A A . 11 ARG CG 1 1 1 197 1 1 11 ARG CZ C 7.043 7.269 2.605 1.00 . A A . 11 ARG CZ 1 1 1 198 1 1 11 ARG H H 5.448 0.573 0.200 1.00 . A A . 11 ARG H 1 1 1 199 1 1 11 ARG HA H 7.823 2.380 -0.233 1.00 . A A . 11 ARG HA 1 1 1 200 1 1 11 ARG HB2 H 5.758 1.881 1.988 1.00 . A A . 11 ARG HB2 1 1 1 201 1 1 11 ARG HB3 H 7.273 2.469 2.512 1.00 . A A . 11 ARG HB3 1 1 1 202 1 1 11 ARG HD2 H 7.523 4.594 2.819 1.00 . A A . 11 ARG HD2 1 1 1 203 1 1 11 ARG HD3 H 8.145 4.908 1.192 1.00 . A A . 11 ARG HD3 1 1 1 204 1 1 11 ARG HE H 5.786 6.493 1.276 1.00 . A A . 11 ARG HE 1 1 1 205 1 1 11 ARG HG2 H 6.126 4.001 0.129 1.00 . A A . 11 ARG HG2 1 1 1 206 1 1 11 ARG HG3 H 5.189 4.059 1.620 1.00 . A A . 11 ARG HG3 1 1 1 207 1 1 11 ARG HH11 H 8.394 8.001 3.908 1.00 . A A . 11 ARG HH11 1 1 1 208 1 1 11 ARG HH12 H 8.584 6.287 3.309 1.00 . A A . 11 ARG HH12 1 1 1 209 1 1 11 ARG HH21 H 6.762 9.141 3.165 1.00 . A A . 11 ARG HH21 1 1 1 210 1 1 11 ARG HH22 H 5.586 8.440 1.963 1.00 . A A . 11 ARG HH22 1 1 1 211 1 1 11 ARG N N 6.300 0.910 -0.262 1.00 . A A . 11 ARG N 1 1 1 212 1 1 11 ARG NE N 6.604 6.269 1.848 1.00 . A A . 11 ARG NE 1 1 1 213 1 1 11 ARG NH1 N 8.099 7.186 3.367 1.00 . A A . 11 ARG NH1 1 1 1 214 1 1 11 ARG NH2 N 6.389 8.384 2.587 1.00 . A A . 11 ARG NH2 1 1 1 215 1 1 11 ARG O O 9.700 1.154 0.745 1.00 . A A . 11 ARG O 1 1 1 216 1 1 12 ILE C C 10.102 -1.899 1.337 1.00 . A A . 12 ILE C 1 1 1 217 1 1 12 ILE CA C 9.318 -1.094 2.441 1.00 . A A . 12 ILE CA 1 1 1 218 1 1 12 ILE CB C 8.700 -2.047 3.531 1.00 . A A . 12 ILE CB 1 1 1 219 1 1 12 ILE CD1 C 7.099 -2.254 5.586 1.00 . A A . 12 ILE CD1 1 1 1 220 1 1 12 ILE CG1 C 7.875 -1.324 4.640 1.00 . A A . 12 ILE CG1 1 1 1 221 1 1 12 ILE CG2 C 9.791 -2.916 4.218 1.00 . A A . 12 ILE CG2 1 1 1 222 1 1 12 ILE H H 7.274 -0.351 2.032 1.00 . A A . 12 ILE H 1 1 1 223 1 1 12 ILE HA H 10.084 -0.475 2.951 1.00 . A A . 12 ILE HA 1 1 1 224 1 1 12 ILE HB H 8.006 -2.729 2.997 1.00 . A A . 12 ILE HB 1 1 1 225 1 1 12 ILE HD11 H 6.083 -1.868 5.766 1.00 . A A . 12 ILE HD11 1 1 1 226 1 1 12 ILE HD12 H 6.982 -3.278 5.182 1.00 . A A . 12 ILE HD12 1 1 1 227 1 1 12 ILE HD13 H 7.602 -2.345 6.566 1.00 . A A . 12 ILE HD13 1 1 1 228 1 1 12 ILE HG12 H 8.518 -0.632 5.216 1.00 . A A . 12 ILE HG12 1 1 1 229 1 1 12 ILE HG13 H 7.128 -0.660 4.171 1.00 . A A . 12 ILE HG13 1 1 1 230 1 1 12 ILE HG21 H 9.374 -3.624 4.956 1.00 . A A . 12 ILE HG21 1 1 1 231 1 1 12 ILE HG22 H 10.345 -3.541 3.493 1.00 . A A . 12 ILE HG22 1 1 1 232 1 1 12 ILE HG23 H 10.542 -2.296 4.742 1.00 . A A . 12 ILE HG23 1 1 1 233 1 1 12 ILE N N 8.273 -0.160 1.901 1.00 . A A . 12 ILE N 1 1 1 234 1 1 12 ILE O O 11.293 -2.153 1.510 1.00 . A A . 12 ILE O 1 1 1 235 1 1 13 LEU C C 11.387 -2.164 -1.481 1.00 . A A . 13 LEU C 1 1 1 236 1 1 13 LEU CA C 10.079 -2.873 -0.979 1.00 . A A . 13 LEU CA 1 1 1 237 1 1 13 LEU CB C 8.986 -2.948 -2.105 1.00 . A A . 13 LEU CB 1 1 1 238 1 1 13 LEU CD1 C 7.220 -4.115 -3.483 1.00 . A A . 13 LEU CD1 1 1 1 239 1 1 13 LEU CD2 C 9.247 -5.412 -2.648 1.00 . A A . 13 LEU CD2 1 1 1 240 1 1 13 LEU CG C 8.243 -4.287 -2.337 1.00 . A A . 13 LEU CG 1 1 1 241 1 1 13 LEU H H 8.452 -2.007 0.221 1.00 . A A . 13 LEU H 1 1 1 242 1 1 13 LEU HA H 10.385 -3.897 -0.695 1.00 . A A . 13 LEU HA 1 1 1 243 1 1 13 LEU HB2 H 8.244 -2.137 -1.981 1.00 . A A . 13 LEU HB2 1 1 1 244 1 1 13 LEU HB3 H 9.448 -2.681 -3.074 1.00 . A A . 13 LEU HB3 1 1 1 245 1 1 13 LEU HD11 H 7.053 -5.043 -4.059 1.00 . A A . 13 LEU HD11 1 1 1 246 1 1 13 LEU HD12 H 6.232 -3.811 -3.093 1.00 . A A . 13 LEU HD12 1 1 1 247 1 1 13 LEU HD13 H 7.520 -3.346 -4.222 1.00 . A A . 13 LEU HD13 1 1 1 248 1 1 13 LEU HD21 H 8.810 -6.246 -3.225 1.00 . A A . 13 LEU HD21 1 1 1 249 1 1 13 LEU HD22 H 10.127 -5.050 -3.214 1.00 . A A . 13 LEU HD22 1 1 1 250 1 1 13 LEU HD23 H 9.635 -5.855 -1.711 1.00 . A A . 13 LEU HD23 1 1 1 251 1 1 13 LEU HG H 7.683 -4.568 -1.421 1.00 . A A . 13 LEU HG 1 1 1 252 1 1 13 LEU N N 9.445 -2.276 0.225 1.00 . A A . 13 LEU N 1 1 1 253 1 1 13 LEU O O 12.487 -2.697 -1.386 1.00 . A A . 13 LEU O 1 1 1 254 1 1 14 NH2 HN1 H 12.248 -0.547 -2.189 1.00 . A A . 14 NH2 HN1 1 1 1 255 1 1 14 NH2 HN2 H 10.408 -0.514 -1.999 1.00 . A A . 14 NH2 HN2 1 1 1 256 1 1 14 NH2 N N 11.330 -0.960 -2.015 1.00 . A A . 14 NH2 N 1 1 2 257 1 1 1 PHE C C -11.361 4.384 0.232 1.00 . A A . 1 PHE C 1 1 2 258 1 1 1 PHE CA C -11.559 5.828 0.813 1.00 . A A . 1 PHE CA 1 1 2 259 1 1 1 PHE CB C -10.509 6.246 1.893 1.00 . A A . 1 PHE CB 1 1 2 260 1 1 1 PHE CD1 C -11.082 5.133 4.128 1.00 . A A . 1 PHE CD1 1 1 2 261 1 1 1 PHE CD2 C -9.146 4.348 2.917 1.00 . A A . 1 PHE CD2 1 1 2 262 1 1 1 PHE CE1 C -10.883 4.136 5.081 1.00 . A A . 1 PHE CE1 1 1 2 263 1 1 1 PHE CE2 C -8.952 3.349 3.866 1.00 . A A . 1 PHE CE2 1 1 2 264 1 1 1 PHE CG C -10.224 5.234 3.026 1.00 . A A . 1 PHE CG 1 1 2 265 1 1 1 PHE CZ C -9.825 3.242 4.947 1.00 . A A . 1 PHE CZ 1 1 2 266 1 1 1 PHE H1 H -13.110 6.999 1.662 1.00 . A A . 1 PHE H1 1 1 2 267 1 1 1 PHE H2 H -13.657 5.779 0.676 1.00 . A A . 1 PHE H2 1 1 2 268 1 1 1 PHE H3 H -13.087 5.420 2.165 1.00 . A A . 1 PHE H3 1 1 2 269 1 1 1 PHE HA H -11.442 6.522 -0.044 1.00 . A A . 1 PHE HA 1 1 2 270 1 1 1 PHE HB2 H -9.556 6.460 1.369 1.00 . A A . 1 PHE HB2 1 1 2 271 1 1 1 PHE HB3 H -10.763 7.232 2.330 1.00 . A A . 1 PHE HB3 1 1 2 272 1 1 1 PHE HD1 H -11.911 5.814 4.246 1.00 . A A . 1 PHE HD1 1 1 2 273 1 1 1 PHE HD2 H -8.465 4.411 2.079 1.00 . A A . 1 PHE HD2 1 1 2 274 1 1 1 PHE HE1 H -11.556 4.052 5.924 1.00 . A A . 1 PHE HE1 1 1 2 275 1 1 1 PHE HE2 H -8.132 2.654 3.761 1.00 . A A . 1 PHE HE2 1 1 2 276 1 1 1 PHE HZ H -9.677 2.465 5.683 1.00 . A A . 1 PHE HZ 1 1 2 277 1 1 1 PHE N N -12.932 6.035 1.357 1.00 . A A . 1 PHE N 1 1 2 278 1 1 1 PHE O O -12.174 3.491 0.491 1.00 . A A . 1 PHE O 1 1 2 279 1 1 2 VAL C C -8.610 2.269 -0.115 1.00 . A A . 2 VAL C 1 1 2 280 1 1 2 VAL CA C -9.854 2.782 -0.946 1.00 . A A . 2 VAL CA 1 1 2 281 1 1 2 VAL CB C -9.668 2.726 -2.500 1.00 . A A . 2 VAL CB 1 1 2 282 1 1 2 VAL CG1 C -8.405 3.434 -3.027 1.00 . A A . 2 VAL CG1 1 1 2 283 1 1 2 VAL CG2 C -9.672 1.284 -3.053 1.00 . A A . 2 VAL CG2 1 1 2 284 1 1 2 VAL H H -9.592 4.925 -0.579 1.00 . A A . 2 VAL H 1 1 2 285 1 1 2 VAL HA H -10.704 2.104 -0.748 1.00 . A A . 2 VAL HA 1 1 2 286 1 1 2 VAL HB H -10.542 3.233 -2.956 1.00 . A A . 2 VAL HB 1 1 2 287 1 1 2 VAL HG11 H -8.397 3.518 -4.129 1.00 . A A . 2 VAL HG11 1 1 2 288 1 1 2 VAL HG12 H -8.311 4.457 -2.621 1.00 . A A . 2 VAL HG12 1 1 2 289 1 1 2 VAL HG13 H -7.487 2.887 -2.736 1.00 . A A . 2 VAL HG13 1 1 2 290 1 1 2 VAL HG21 H -9.553 1.257 -4.152 1.00 . A A . 2 VAL HG21 1 1 2 291 1 1 2 VAL HG22 H -8.850 0.673 -2.630 1.00 . A A . 2 VAL HG22 1 1 2 292 1 1 2 VAL HG23 H -10.620 0.760 -2.828 1.00 . A A . 2 VAL HG23 1 1 2 293 1 1 2 VAL N N -10.264 4.154 -0.514 1.00 . A A . 2 VAL N 1 1 2 294 1 1 2 VAL O O -7.665 3.041 0.090 1.00 . A A . 2 VAL O 1 1 2 295 1 1 3 . C C -6.172 0.110 0.005 1.00 . A A . 3 PH6 C 1 1 2 296 1 1 3 . C1 C -10.212 -2.077 1.697 1.00 . A A . 3 PH6 C1 1 1 2 297 1 1 3 . C2 C -11.387 -2.503 0.756 1.00 . A A . 3 PH6 C2 1 1 2 298 1 1 3 . C3 C -12.494 -3.295 1.490 1.00 . A A . 3 PH6 C3 1 1 2 299 1 1 3 . C4 C -13.005 -2.528 2.733 1.00 . A A . 3 PH6 C4 1 1 2 300 1 1 3 . C5 C -11.849 -2.185 3.699 1.00 . A A . 3 PH6 C5 1 1 2 301 1 1 3 . C6 C -10.756 -1.368 2.983 1.00 . A A . 3 PH6 C6 1 1 2 302 1 1 3 . CA C -7.329 0.425 1.002 1.00 . A A . 3 PH6 CA 1 1 2 303 1 1 3 . CB C -7.879 -0.836 1.692 1.00 . A A . 3 PH6 CB 1 1 2 304 1 1 3 . CD C -9.667 0.054 0.309 1.00 . A A . 3 PH6 CD 1 1 2 305 1 1 3 . CG C -9.145 -1.253 0.915 1.00 . A A . 3 PH6 CG 1 1 2 306 1 1 3 . H1 H -9.718 -3.007 2.034 1.00 . A A . 3 PH6 H1 1 1 2 307 1 1 3 . H21 H -11.005 -3.097 -0.096 1.00 . A A . 3 PH6 H21 1 1 2 308 1 1 3 . H22 H -11.852 -1.609 0.297 1.00 . A A . 3 PH6 H22 1 1 2 309 1 1 3 . H31 H -13.333 -3.502 0.798 1.00 . A A . 3 PH6 H31 1 1 2 310 1 1 3 . H32 H -12.103 -4.285 1.792 1.00 . A A . 3 PH6 H32 1 1 2 311 1 1 3 . H41 H -13.777 -3.119 3.258 1.00 . A A . 3 PH6 H41 1 1 2 312 1 1 3 . H42 H -13.510 -1.594 2.414 1.00 . A A . 3 PH6 H42 1 1 2 313 1 1 3 . H51 H -12.227 -1.620 4.572 1.00 . A A . 3 PH6 H51 1 1 2 314 1 1 3 . H52 H -11.408 -3.114 4.109 1.00 . A A . 3 PH6 H52 1 1 2 315 1 1 3 . H61 H -9.938 -1.172 3.698 1.00 . A A . 3 PH6 H61 1 1 2 316 1 1 3 . H62 H -11.168 -0.372 2.739 1.00 . A A . 3 PH6 H62 1 1 2 317 1 1 3 . HA H -6.978 1.118 1.792 1.00 . A A . 3 PH6 HA 1 1 2 318 1 1 3 . HB2 H -8.103 -0.594 2.745 1.00 . A A . 3 PH6 HB2 1 1 2 319 1 1 3 . HB3 H -7.135 -1.653 1.734 1.00 . A A . 3 PH6 HB3 1 1 2 320 1 1 3 . HD2 H -10.515 0.476 0.879 1.00 . A A . 3 PH6 HD2 1 1 2 321 1 1 3 . HD3 H -10.030 -0.128 -0.717 1.00 . A A . 3 PH6 HD3 1 1 2 322 1 1 3 . HG2 H -8.793 -1.870 0.062 1.00 . A A . 3 PH6 HG2 1 1 2 323 1 1 3 . N N -8.536 0.988 0.347 1.00 . A A . 3 PH6 N 1 1 2 324 1 1 3 . O O -6.303 -0.708 -0.912 1.00 . A A . 3 PH6 O 1 1 2 325 1 1 4 TRP C C -2.833 -0.418 -0.101 1.00 . A A . 4 TRP C 1 1 2 326 1 1 4 TRP CA C -3.848 0.624 -0.675 1.00 . A A . 4 TRP CA 1 1 2 327 1 1 4 TRP CB C -3.231 2.028 -0.881 1.00 . A A . 4 TRP CB 1 1 2 328 1 1 4 TRP CD1 C -4.946 3.949 -1.330 1.00 . A A . 4 TRP CD1 1 1 2 329 1 1 4 TRP CD2 C -3.901 3.195 -3.146 1.00 . A A . 4 TRP CD2 1 1 2 330 1 1 4 TRP CE2 C -4.791 4.238 -3.505 1.00 . A A . 4 TRP CE2 1 1 2 331 1 1 4 TRP CE3 C -3.118 2.547 -4.138 1.00 . A A . 4 TRP CE3 1 1 2 332 1 1 4 TRP CG C -4.000 3.007 -1.776 1.00 . A A . 4 TRP CG 1 1 2 333 1 1 4 TRP CH2 C -4.141 3.982 -5.820 1.00 . A A . 4 TRP CH2 1 1 2 334 1 1 4 TRP CZ2 C -4.923 4.626 -4.858 1.00 . A A . 4 TRP CZ2 1 1 2 335 1 1 4 TRP CZ3 C -3.248 2.963 -5.465 1.00 . A A . 4 TRP CZ3 1 1 2 336 1 1 4 TRP H H -5.064 1.470 0.960 1.00 . A A . 4 TRP H 1 1 2 337 1 1 4 TRP HA H -4.160 0.273 -1.682 1.00 . A A . 4 TRP HA 1 1 2 338 1 1 4 TRP HB2 H -2.990 2.501 0.091 1.00 . A A . 4 TRP HB2 1 1 2 339 1 1 4 TRP HB3 H -2.260 1.882 -1.357 1.00 . A A . 4 TRP HB3 1 1 2 340 1 1 4 TRP HD1 H -5.279 4.035 -0.305 1.00 . A A . 4 TRP HD1 1 1 2 341 1 1 4 TRP HE1 H -6.206 5.414 -2.364 1.00 . A A . 4 TRP HE1 1 1 2 342 1 1 4 TRP HE3 H -2.446 1.742 -3.884 1.00 . A A . 4 TRP HE3 1 1 2 343 1 1 4 TRP HH2 H -4.229 4.275 -6.857 1.00 . A A . 4 TRP HH2 1 1 2 344 1 1 4 TRP HZ2 H -5.617 5.403 -5.141 1.00 . A A . 4 TRP HZ2 1 1 2 345 1 1 4 TRP HZ3 H -2.657 2.486 -6.234 1.00 . A A . 4 TRP HZ3 1 1 2 346 1 1 4 TRP N N -5.025 0.765 0.218 1.00 . A A . 4 TRP N 1 1 2 347 1 1 4 TRP NE1 N -5.437 4.736 -2.388 1.00 . A A . 4 TRP NE1 1 1 2 348 1 1 4 TRP O O -1.885 -0.082 0.616 1.00 . A A . 4 TRP O 1 1 2 349 1 1 5 PHE C C -0.797 -2.913 -0.667 1.00 . A A . 5 PHE C 1 1 2 350 1 1 5 PHE CA C -2.196 -2.837 0.035 1.00 . A A . 5 PHE CA 1 1 2 351 1 1 5 PHE CB C -2.943 -4.209 -0.076 1.00 . A A . 5 PHE CB 1 1 2 352 1 1 5 PHE CD1 C -4.971 -4.298 1.482 1.00 . A A . 5 PHE CD1 1 1 2 353 1 1 5 PHE CD2 C -5.341 -4.195 -0.904 1.00 . A A . 5 PHE CD2 1 1 2 354 1 1 5 PHE CE1 C -6.347 -4.321 1.689 1.00 . A A . 5 PHE CE1 1 1 2 355 1 1 5 PHE CE2 C -6.714 -4.206 -0.695 1.00 . A A . 5 PHE CE2 1 1 2 356 1 1 5 PHE CG C -4.458 -4.249 0.181 1.00 . A A . 5 PHE CG 1 1 2 357 1 1 5 PHE CZ C -7.218 -4.285 0.602 1.00 . A A . 5 PHE CZ 1 1 2 358 1 1 5 PHE H H -3.948 -1.858 -0.899 1.00 . A A . 5 PHE H 1 1 2 359 1 1 5 PHE HA H -2.005 -2.671 1.116 1.00 . A A . 5 PHE HA 1 1 2 360 1 1 5 PHE HB2 H -2.761 -4.654 -1.074 1.00 . A A . 5 PHE HB2 1 1 2 361 1 1 5 PHE HB3 H -2.447 -4.930 0.602 1.00 . A A . 5 PHE HB3 1 1 2 362 1 1 5 PHE HD1 H -4.302 -4.307 2.331 1.00 . A A . 5 PHE HD1 1 1 2 363 1 1 5 PHE HD2 H -4.964 -4.130 -1.916 1.00 . A A . 5 PHE HD2 1 1 2 364 1 1 5 PHE HE1 H -6.742 -4.344 2.695 1.00 . A A . 5 PHE HE1 1 1 2 365 1 1 5 PHE HE2 H -7.389 -4.142 -1.536 1.00 . A A . 5 PHE HE2 1 1 2 366 1 1 5 PHE HZ H -8.284 -4.295 0.758 1.00 . A A . 5 PHE HZ 1 1 2 367 1 1 5 PHE N N -3.030 -1.695 -0.465 1.00 . A A . 5 PHE N 1 1 2 368 1 1 5 PHE O O 0.248 -2.846 -0.013 1.00 . A A . 5 PHE O 1 1 2 369 1 1 6 SER C C 1.248 -1.497 -2.618 1.00 . A A . 6 SER C 1 1 2 370 1 1 6 SER CA C 0.396 -2.779 -2.878 1.00 . A A . 6 SER CA 1 1 2 371 1 1 6 SER CB C -0.073 -2.860 -4.357 1.00 . A A . 6 SER CB 1 1 2 372 1 1 6 SER H H -1.739 -3.023 -2.422 1.00 . A A . 6 SER H 1 1 2 373 1 1 6 SER HA H 1.081 -3.633 -2.707 1.00 . A A . 6 SER HA 1 1 2 374 1 1 6 SER HB2 H 0.739 -2.544 -5.042 1.00 . A A . 6 SER HB2 1 1 2 375 1 1 6 SER HB3 H -0.270 -3.914 -4.628 1.00 . A A . 6 SER HB3 1 1 2 376 1 1 6 SER HG H -1.095 -1.190 -4.337 1.00 . A A . 6 SER HG 1 1 2 377 1 1 6 SER N N -0.798 -2.996 -2.013 1.00 . A A . 6 SER N 1 1 2 378 1 1 6 SER O O 2.476 -1.585 -2.585 1.00 . A A . 6 SER O 1 1 2 379 1 1 6 SER OG O -1.251 -2.090 -4.634 1.00 . A A . 6 SER OG 1 1 2 380 1 1 7 LYS C C 2.110 0.797 -0.581 1.00 . A A . 7 LYS C 1 1 2 381 1 1 7 LYS CA C 1.334 0.902 -1.939 1.00 . A A . 7 LYS CA 1 1 2 382 1 1 7 LYS CB C 0.299 2.055 -1.903 1.00 . A A . 7 LYS CB 1 1 2 383 1 1 7 LYS CD C 1.157 3.724 -3.679 1.00 . A A . 7 LYS CD 1 1 2 384 1 1 7 LYS CE C 2.667 3.756 -3.982 1.00 . A A . 7 LYS CE 1 1 2 385 1 1 7 LYS CG C 0.832 3.471 -2.186 1.00 . A A . 7 LYS CG 1 1 2 386 1 1 7 LYS H H -0.397 -0.435 -2.296 1.00 . A A . 7 LYS H 1 1 2 387 1 1 7 LYS HA H 2.090 1.125 -2.713 1.00 . A A . 7 LYS HA 1 1 2 388 1 1 7 LYS HB2 H -0.524 1.875 -2.620 1.00 . A A . 7 LYS HB2 1 1 2 389 1 1 7 LYS HB3 H -0.189 2.059 -0.907 1.00 . A A . 7 LYS HB3 1 1 2 390 1 1 7 LYS HD2 H 0.656 2.970 -4.322 1.00 . A A . 7 LYS HD2 1 1 2 391 1 1 7 LYS HD3 H 0.675 4.679 -3.967 1.00 . A A . 7 LYS HD3 1 1 2 392 1 1 7 LYS HE2 H 3.203 4.348 -3.208 1.00 . A A . 7 LYS HE2 1 1 2 393 1 1 7 LYS HE3 H 3.103 2.735 -3.911 1.00 . A A . 7 LYS HE3 1 1 2 394 1 1 7 LYS HG2 H 0.043 4.187 -1.878 1.00 . A A . 7 LYS HG2 1 1 2 395 1 1 7 LYS HG3 H 1.680 3.708 -1.512 1.00 . A A . 7 LYS HG3 1 1 2 396 1 1 7 LYS HZ1 H 3.874 4.414 -5.599 1.00 . A A . 7 LYS HZ1 1 1 2 397 1 1 7 LYS HZ2 H 2.425 3.795 -6.077 1.00 . A A . 7 LYS HZ2 1 1 2 398 1 1 7 LYS HZ3 H 2.493 5.287 -5.410 1.00 . A A . 7 LYS HZ3 1 1 2 399 1 1 7 LYS N N 0.618 -0.328 -2.394 1.00 . A A . 7 LYS N 1 1 2 400 1 1 7 LYS NZ N 2.883 4.338 -5.333 1.00 . A A . 7 LYS NZ 1 1 2 401 1 1 7 LYS O O 3.238 1.288 -0.477 1.00 . A A . 7 LYS O 1 1 2 402 1 1 8 PHE C C 3.433 -1.232 1.415 1.00 . A A . 8 PHE C 1 1 2 403 1 1 8 PHE CA C 2.206 -0.308 1.664 1.00 . A A . 8 PHE CA 1 1 2 404 1 1 8 PHE CB C 1.145 -0.964 2.607 1.00 . A A . 8 PHE CB 1 1 2 405 1 1 8 PHE CD1 C 1.305 -0.336 5.054 1.00 . A A . 8 PHE CD1 1 1 2 406 1 1 8 PHE CD2 C -0.091 1.011 3.615 1.00 . A A . 8 PHE CD2 1 1 2 407 1 1 8 PHE CE1 C 1.014 0.504 6.124 1.00 . A A . 8 PHE CE1 1 1 2 408 1 1 8 PHE CE2 C -0.383 1.850 4.686 1.00 . A A . 8 PHE CE2 1 1 2 409 1 1 8 PHE CG C 0.761 -0.082 3.792 1.00 . A A . 8 PHE CG 1 1 2 410 1 1 8 PHE CZ C 0.171 1.597 5.941 1.00 . A A . 8 PHE CZ 1 1 2 411 1 1 8 PHE H H 0.619 -0.301 0.149 1.00 . A A . 8 PHE H 1 1 2 412 1 1 8 PHE HA H 2.621 0.601 2.147 1.00 . A A . 8 PHE HA 1 1 2 413 1 1 8 PHE HB2 H 0.225 -1.262 2.067 1.00 . A A . 8 PHE HB2 1 1 2 414 1 1 8 PHE HB3 H 1.511 -1.939 2.986 1.00 . A A . 8 PHE HB3 1 1 2 415 1 1 8 PHE HD1 H 1.955 -1.185 5.205 1.00 . A A . 8 PHE HD1 1 1 2 416 1 1 8 PHE HD2 H -0.509 1.220 2.639 1.00 . A A . 8 PHE HD2 1 1 2 417 1 1 8 PHE HE1 H 1.447 0.305 7.095 1.00 . A A . 8 PHE HE1 1 1 2 418 1 1 8 PHE HE2 H -1.035 2.699 4.542 1.00 . A A . 8 PHE HE2 1 1 2 419 1 1 8 PHE HZ H -0.053 2.249 6.772 1.00 . A A . 8 PHE HZ 1 1 2 420 1 1 8 PHE N N 1.509 0.131 0.425 1.00 . A A . 8 PHE N 1 1 2 421 1 1 8 PHE O O 4.555 -0.841 1.749 1.00 . A A . 8 PHE O 1 1 2 422 1 1 9 LEU C C 5.464 -2.537 -0.523 1.00 . A A . 9 LEU C 1 1 2 423 1 1 9 LEU CA C 4.355 -3.265 0.303 1.00 . A A . 9 LEU CA 1 1 2 424 1 1 9 LEU CB C 3.802 -4.526 -0.434 1.00 . A A . 9 LEU CB 1 1 2 425 1 1 9 LEU CD1 C 2.962 -6.100 1.392 1.00 . A A . 9 LEU CD1 1 1 2 426 1 1 9 LEU CD2 C 4.037 -7.045 -0.684 1.00 . A A . 9 LEU CD2 1 1 2 427 1 1 9 LEU CG C 4.029 -5.870 0.307 1.00 . A A . 9 LEU CG 1 1 2 428 1 1 9 LEU H H 2.254 -2.579 0.510 1.00 . A A . 9 LEU H 1 1 2 429 1 1 9 LEU HA H 4.873 -3.603 1.224 1.00 . A A . 9 LEU HA 1 1 2 430 1 1 9 LEU HB2 H 2.729 -4.416 -0.689 1.00 . A A . 9 LEU HB2 1 1 2 431 1 1 9 LEU HB3 H 4.274 -4.595 -1.434 1.00 . A A . 9 LEU HB3 1 1 2 432 1 1 9 LEU HD11 H 2.984 -5.308 2.164 1.00 . A A . 9 LEU HD11 1 1 2 433 1 1 9 LEU HD12 H 1.939 -6.115 0.972 1.00 . A A . 9 LEU HD12 1 1 2 434 1 1 9 LEU HD13 H 3.111 -7.062 1.919 1.00 . A A . 9 LEU HD13 1 1 2 435 1 1 9 LEU HD21 H 3.094 -7.117 -1.258 1.00 . A A . 9 LEU HD21 1 1 2 436 1 1 9 LEU HD22 H 4.860 -6.944 -1.417 1.00 . A A . 9 LEU HD22 1 1 2 437 1 1 9 LEU HD23 H 4.190 -8.014 -0.174 1.00 . A A . 9 LEU HD23 1 1 2 438 1 1 9 LEU HG H 5.025 -5.859 0.794 1.00 . A A . 9 LEU HG 1 1 2 439 1 1 9 LEU N N 3.235 -2.402 0.771 1.00 . A A . 9 LEU N 1 1 2 440 1 1 9 LEU O O 6.629 -2.693 -0.179 1.00 . A A . 9 LEU O 1 1 2 441 1 1 10 GLY C C 7.018 0.098 -1.437 1.00 . A A . 10 GLY C 1 1 2 442 1 1 10 GLY CA C 6.108 -0.852 -2.258 1.00 . A A . 10 GLY CA 1 1 2 443 1 1 10 GLY H H 4.106 -1.663 -1.707 1.00 . A A . 10 GLY H 1 1 2 444 1 1 10 GLY HA2 H 6.757 -1.495 -2.880 1.00 . A A . 10 GLY HA2 1 1 2 445 1 1 10 GLY HA3 H 5.555 -0.232 -2.987 1.00 . A A . 10 GLY HA3 1 1 2 446 1 1 10 GLY N N 5.125 -1.715 -1.537 1.00 . A A . 10 GLY N 1 1 2 447 1 1 10 GLY O O 8.227 0.142 -1.670 1.00 . A A . 10 GLY O 1 1 2 448 1 1 11 ARG C C 8.092 0.719 1.523 1.00 . A A . 11 ARG C 1 1 2 449 1 1 11 ARG CA C 7.228 1.588 0.552 1.00 . A A . 11 ARG CA 1 1 2 450 1 1 11 ARG CB C 6.235 2.508 1.325 1.00 . A A . 11 ARG CB 1 1 2 451 1 1 11 ARG CD C 7.049 4.918 1.213 1.00 . A A . 11 ARG CD 1 1 2 452 1 1 11 ARG CG C 6.023 3.900 0.683 1.00 . A A . 11 ARG CG 1 1 2 453 1 1 11 ARG CZ C 7.625 7.314 0.793 1.00 . A A . 11 ARG CZ 1 1 2 454 1 1 11 ARG H H 5.443 0.635 -0.352 1.00 . A A . 11 ARG H 1 1 2 455 1 1 11 ARG HA H 7.960 2.227 0.018 1.00 . A A . 11 ARG HA 1 1 2 456 1 1 11 ARG HB2 H 5.258 1.998 1.451 1.00 . A A . 11 ARG HB2 1 1 2 457 1 1 11 ARG HB3 H 6.569 2.642 2.374 1.00 . A A . 11 ARG HB3 1 1 2 458 1 1 11 ARG HD2 H 6.887 5.050 2.303 1.00 . A A . 11 ARG HD2 1 1 2 459 1 1 11 ARG HD3 H 8.077 4.515 1.097 1.00 . A A . 11 ARG HD3 1 1 2 460 1 1 11 ARG HE H 6.270 6.326 -0.277 1.00 . A A . 11 ARG HE 1 1 2 461 1 1 11 ARG HG2 H 6.067 3.816 -0.422 1.00 . A A . 11 ARG HG2 1 1 2 462 1 1 11 ARG HG3 H 4.996 4.251 0.907 1.00 . A A . 11 ARG HG3 1 1 2 463 1 1 11 ARG HH11 H 9.008 8.251 1.920 1.00 . A A . 11 ARG HH11 1 1 2 464 1 1 11 ARG HH12 H 8.620 6.500 2.278 1.00 . A A . 11 ARG HH12 1 1 2 465 1 1 11 ARG HH21 H 7.977 9.209 0.317 1.00 . A A . 11 ARG HH21 1 1 2 466 1 1 11 ARG HH22 H 6.736 8.317 -0.672 1.00 . A A . 11 ARG HH22 1 1 2 467 1 1 11 ARG N N 6.445 0.834 -0.473 1.00 . A A . 11 ARG N 1 1 2 468 1 1 11 ARG NE N 6.921 6.218 0.505 1.00 . A A . 11 ARG NE 1 1 2 469 1 1 11 ARG NH1 N 8.510 7.374 1.759 1.00 . A A . 11 ARG NH1 1 1 2 470 1 1 11 ARG NH2 N 7.425 8.382 0.078 1.00 . A A . 11 ARG NH2 1 1 2 471 1 1 11 ARG O O 9.292 0.973 1.652 1.00 . A A . 11 ARG O 1 1 2 472 1 1 12 ILE C C 9.325 -2.114 2.346 1.00 . A A . 12 ILE C 1 1 2 473 1 1 12 ILE CA C 8.242 -1.234 3.092 1.00 . A A . 12 ILE CA 1 1 2 474 1 1 12 ILE CB C 7.242 -2.086 3.967 1.00 . A A . 12 ILE CB 1 1 2 475 1 1 12 ILE CD1 C 5.015 -2.116 5.359 1.00 . A A . 12 ILE CD1 1 1 2 476 1 1 12 ILE CG1 C 6.112 -1.272 4.681 1.00 . A A . 12 ILE CG1 1 1 2 477 1 1 12 ILE CG2 C 7.986 -2.976 5.012 1.00 . A A . 12 ILE CG2 1 1 2 478 1 1 12 ILE H H 6.499 -0.411 1.976 1.00 . A A . 12 ILE H 1 1 2 479 1 1 12 ILE HA H 8.818 -0.610 3.805 1.00 . A A . 12 ILE HA 1 1 2 480 1 1 12 ILE HB H 6.727 -2.766 3.259 1.00 . A A . 12 ILE HB 1 1 2 481 1 1 12 ILE HD11 H 4.120 -1.508 5.571 1.00 . A A . 12 ILE HD11 1 1 2 482 1 1 12 ILE HD12 H 4.695 -2.968 4.729 1.00 . A A . 12 ILE HD12 1 1 2 483 1 1 12 ILE HD13 H 5.352 -2.528 6.327 1.00 . A A . 12 ILE HD13 1 1 2 484 1 1 12 ILE HG12 H 6.545 -0.559 5.407 1.00 . A A . 12 ILE HG12 1 1 2 485 1 1 12 ILE HG13 H 5.596 -0.628 3.948 1.00 . A A . 12 ILE HG13 1 1 2 486 1 1 12 ILE HG21 H 9.064 -2.747 5.099 1.00 . A A . 12 ILE HG21 1 1 2 487 1 1 12 ILE HG22 H 7.590 -2.889 6.040 1.00 . A A . 12 ILE HG22 1 1 2 488 1 1 12 ILE HG23 H 7.914 -4.046 4.740 1.00 . A A . 12 ILE HG23 1 1 2 489 1 1 12 ILE N N 7.499 -0.287 2.193 1.00 . A A . 12 ILE N 1 1 2 490 1 1 12 ILE O O 10.378 -2.384 2.926 1.00 . A A . 12 ILE O 1 1 2 491 1 1 13 LEU C C 11.531 -2.506 0.156 1.00 . A A . 13 LEU C 1 1 2 492 1 1 13 LEU CA C 10.103 -3.151 0.173 1.00 . A A . 13 LEU CA 1 1 2 493 1 1 13 LEU CB C 9.480 -3.210 -1.269 1.00 . A A . 13 LEU CB 1 1 2 494 1 1 13 LEU CD1 C 7.874 -4.333 -2.904 1.00 . A A . 13 LEU CD1 1 1 2 495 1 1 13 LEU CD2 C 9.868 -5.595 -2.043 1.00 . A A . 13 LEU CD2 1 1 2 496 1 1 13 LEU CG C 8.805 -4.541 -1.691 1.00 . A A . 13 LEU CG 1 1 2 497 1 1 13 LEU H H 8.148 -2.297 0.730 1.00 . A A . 13 LEU H 1 1 2 498 1 1 13 LEU HA H 10.253 -4.185 0.537 1.00 . A A . 13 LEU HA 1 1 2 499 1 1 13 LEU HB2 H 8.767 -2.374 -1.404 1.00 . A A . 13 LEU HB2 1 1 2 500 1 1 13 LEU HB3 H 10.244 -2.970 -2.034 1.00 . A A . 13 LEU HB3 1 1 2 501 1 1 13 LEU HD11 H 6.909 -3.894 -2.597 1.00 . A A . 13 LEU HD11 1 1 2 502 1 1 13 LEU HD12 H 8.310 -3.654 -3.661 1.00 . A A . 13 LEU HD12 1 1 2 503 1 1 13 LEU HD13 H 7.627 -5.278 -3.422 1.00 . A A . 13 LEU HD13 1 1 2 504 1 1 13 LEU HD21 H 9.413 -6.580 -2.255 1.00 . A A . 13 LEU HD21 1 1 2 505 1 1 13 LEU HD22 H 10.454 -5.305 -2.936 1.00 . A A . 13 LEU HD22 1 1 2 506 1 1 13 LEU HD23 H 10.590 -5.747 -1.219 1.00 . A A . 13 LEU HD23 1 1 2 507 1 1 13 LEU HG H 8.187 -4.920 -0.851 1.00 . A A . 13 LEU HG 1 1 2 508 1 1 13 LEU N N 9.095 -2.521 1.078 1.00 . A A . 13 LEU N 1 1 2 509 1 1 13 LEU O O 12.523 -3.141 0.502 1.00 . A A . 13 LEU O 1 1 2 510 1 1 14 NH2 HN1 H 12.653 -0.908 -0.082 1.00 . A A . 14 NH2 HN1 1 1 2 511 1 1 14 NH2 HN2 H 10.847 -0.718 -0.406 1.00 . A A . 14 NH2 HN2 1 1 2 512 1 1 14 NH2 N N 11.703 -1.256 -0.234 1.00 . A A . 14 NH2 N 1 1 3 513 1 1 1 PHE C C -9.821 5.044 0.972 1.00 . A A . 1 PHE C 1 1 3 514 1 1 1 PHE CA C -9.769 6.199 2.027 1.00 . A A . 1 PHE CA 1 1 3 515 1 1 1 PHE CB C -8.977 5.838 3.323 1.00 . A A . 1 PHE CB 1 1 3 516 1 1 1 PHE CD1 C -10.443 4.651 5.042 1.00 . A A . 1 PHE CD1 1 1 3 517 1 1 1 PHE CD2 C -8.865 3.324 3.783 1.00 . A A . 1 PHE CD2 1 1 3 518 1 1 1 PHE CE1 C -10.916 3.497 5.660 1.00 . A A . 1 PHE CE1 1 1 3 519 1 1 1 PHE CE2 C -9.341 2.171 4.400 1.00 . A A . 1 PHE CE2 1 1 3 520 1 1 1 PHE CG C -9.424 4.572 4.086 1.00 . A A . 1 PHE CG 1 1 3 521 1 1 1 PHE CZ C -10.369 2.258 5.337 1.00 . A A . 1 PHE CZ 1 1 3 522 1 1 1 PHE H1 H -11.119 7.501 3.018 1.00 . A A . 1 PHE H1 1 1 3 523 1 1 1 PHE H2 H -11.688 6.931 1.563 1.00 . A A . 1 PHE H2 1 1 3 524 1 1 1 PHE H3 H -11.652 5.942 2.864 1.00 . A A . 1 PHE H3 1 1 3 525 1 1 1 PHE HA H -9.237 7.040 1.537 1.00 . A A . 1 PHE HA 1 1 3 526 1 1 1 PHE HB2 H -7.908 5.722 3.053 1.00 . A A . 1 PHE HB2 1 1 3 527 1 1 1 PHE HB3 H -8.956 6.704 4.012 1.00 . A A . 1 PHE HB3 1 1 3 528 1 1 1 PHE HD1 H -10.880 5.604 5.303 1.00 . A A . 1 PHE HD1 1 1 3 529 1 1 1 PHE HD2 H -8.074 3.236 3.050 1.00 . A A . 1 PHE HD2 1 1 3 530 1 1 1 PHE HE1 H -11.713 3.562 6.388 1.00 . A A . 1 PHE HE1 1 1 3 531 1 1 1 PHE HE2 H -8.917 1.208 4.150 1.00 . A A . 1 PHE HE2 1 1 3 532 1 1 1 PHE HZ H -10.741 1.363 5.814 1.00 . A A . 1 PHE HZ 1 1 3 533 1 1 1 PHE N N -11.130 6.690 2.391 1.00 . A A . 1 PHE N 1 1 3 534 1 1 1 PHE O O -10.885 4.465 0.729 1.00 . A A . 1 PHE O 1 1 3 535 1 1 2 VAL C C -7.719 2.345 0.202 1.00 . A A . 2 VAL C 1 1 3 536 1 1 2 VAL CA C -8.549 3.492 -0.501 1.00 . A A . 2 VAL CA 1 1 3 537 1 1 2 VAL CB C -8.029 3.918 -1.914 1.00 . A A . 2 VAL CB 1 1 3 538 1 1 2 VAL CG1 C -6.528 4.243 -1.968 1.00 . A A . 2 VAL CG1 1 1 3 539 1 1 2 VAL CG2 C -8.337 2.873 -3.010 1.00 . A A . 2 VAL CG2 1 1 3 540 1 1 2 VAL H H -7.818 5.164 0.709 1.00 . A A . 2 VAL H 1 1 3 541 1 1 2 VAL HA H -9.568 3.110 -0.687 1.00 . A A . 2 VAL HA 1 1 3 542 1 1 2 VAL HB H -8.575 4.836 -2.210 1.00 . A A . 2 VAL HB 1 1 3 543 1 1 2 VAL HG11 H -6.229 4.676 -2.939 1.00 . A A . 2 VAL HG11 1 1 3 544 1 1 2 VAL HG12 H -6.219 4.957 -1.183 1.00 . A A . 2 VAL HG12 1 1 3 545 1 1 2 VAL HG13 H -5.919 3.331 -1.816 1.00 . A A . 2 VAL HG13 1 1 3 546 1 1 2 VAL HG21 H -7.805 1.917 -2.838 1.00 . A A . 2 VAL HG21 1 1 3 547 1 1 2 VAL HG22 H -9.418 2.642 -3.064 1.00 . A A . 2 VAL HG22 1 1 3 548 1 1 2 VAL HG23 H -8.045 3.228 -4.015 1.00 . A A . 2 VAL HG23 1 1 3 549 1 1 2 VAL N N -8.666 4.690 0.380 1.00 . A A . 2 VAL N 1 1 3 550 1 1 2 VAL O O -6.677 2.638 0.805 1.00 . A A . 2 VAL O 1 1 3 551 1 1 3 . C C -6.069 -0.402 -0.319 1.00 . A A . 3 PH6 C 1 1 3 552 1 1 3 . C1 C -12.815 -1.727 1.593 1.00 . A A . 3 PH6 C1 1 1 3 553 1 1 3 . C2 C -11.405 -1.149 1.366 1.00 . A A . 3 PH6 C2 1 1 3 554 1 1 3 . C3 C -10.801 -1.544 -0.025 1.00 . A A . 3 PH6 C3 1 1 3 555 1 1 3 . C4 C -11.802 -1.208 -1.179 1.00 . A A . 3 PH6 C4 1 1 3 556 1 1 3 . C5 C -13.220 -1.769 -0.930 1.00 . A A . 3 PH6 C5 1 1 3 557 1 1 3 . C6 C -13.769 -1.322 0.447 1.00 . A A . 3 PH6 C6 1 1 3 558 1 1 3 . CA C -7.271 -0.089 0.617 1.00 . A A . 3 PH6 CA 1 1 3 559 1 1 3 . CB C -8.293 -1.233 0.720 1.00 . A A . 3 PH6 CB 1 1 3 560 1 1 3 . CD C -9.387 0.603 -0.431 1.00 . A A . 3 PH6 CD 1 1 3 561 1 1 3 . CG C -9.400 -0.926 -0.308 1.00 . A A . 3 PH6 CG 1 1 3 562 1 1 3 . H1 H -12.755 -2.829 1.668 1.00 . A A . 3 PH6 H1 1 1 3 563 1 1 3 . H21 H -11.456 -0.050 1.474 1.00 . A A . 3 PH6 H21 1 1 3 564 1 1 3 . H22 H -13.209 -1.379 2.567 1.00 . A A . 3 PH6 H22 1 1 3 565 1 1 3 . H31 H -10.669 -2.644 -0.022 1.00 . A A . 3 PH6 H31 1 1 3 566 1 1 3 . H32 H -10.753 -1.487 2.190 1.00 . A A . 3 PH6 H32 1 1 3 567 1 1 3 . H41 H -11.416 -1.582 -2.147 1.00 . A A . 3 PH6 H41 1 1 3 568 1 1 3 . H42 H -11.883 -0.112 -1.307 1.00 . A A . 3 PH6 H42 1 1 3 569 1 1 3 . H51 H -13.903 -1.443 -1.736 1.00 . A A . 3 PH6 H51 1 1 3 570 1 1 3 . H52 H -13.196 -2.874 -0.985 1.00 . A A . 3 PH6 H52 1 1 3 571 1 1 3 . H61 H -14.772 -1.752 0.619 1.00 . A A . 3 PH6 H61 1 1 3 572 1 1 3 . H62 H -13.910 -0.223 0.453 1.00 . A A . 3 PH6 H62 1 1 3 573 1 1 3 . HA H -6.899 0.123 1.641 1.00 . A A . 3 PH6 HA 1 1 3 574 1 1 3 . HB2 H -8.678 -1.269 1.752 1.00 . A A . 3 PH6 HB2 1 1 3 575 1 1 3 . HB3 H -7.837 -2.222 0.543 1.00 . A A . 3 PH6 HB3 1 1 3 576 1 1 3 . HD2 H -10.211 1.078 0.133 1.00 . A A . 3 PH6 HD2 1 1 3 577 1 1 3 . HD3 H -9.512 0.895 -1.489 1.00 . A A . 3 PH6 HD3 1 1 3 578 1 1 3 . HG2 H -9.039 -1.328 -1.278 1.00 . A A . 3 PH6 HG2 1 1 3 579 1 1 3 . N N -8.099 1.037 0.120 1.00 . A A . 3 PH6 N 1 1 3 580 1 1 3 . O O -6.151 -1.176 -1.280 1.00 . A A . 3 PH6 O 1 1 3 581 1 1 4 TRP C C -2.976 -1.294 -0.287 1.00 . A A . 4 TRP C 1 1 3 582 1 1 4 TRP CA C -3.675 0.016 -0.749 1.00 . A A . 4 TRP CA 1 1 3 583 1 1 4 TRP CB C -2.811 1.296 -0.578 1.00 . A A . 4 TRP CB 1 1 3 584 1 1 4 TRP CD1 C -3.428 2.330 -2.946 1.00 . A A . 4 TRP CD1 1 1 3 585 1 1 4 TRP CD2 C -2.986 3.803 -1.340 1.00 . A A . 4 TRP CD2 1 1 3 586 1 1 4 TRP CE2 C -3.247 4.481 -2.561 1.00 . A A . 4 TRP CE2 1 1 3 587 1 1 4 TRP CE3 C -2.747 4.537 -0.150 1.00 . A A . 4 TRP CE3 1 1 3 588 1 1 4 TRP CG C -3.089 2.444 -1.572 1.00 . A A . 4 TRP CG 1 1 3 589 1 1 4 TRP CH2 C -3.075 6.598 -1.408 1.00 . A A . 4 TRP CH2 1 1 3 590 1 1 4 TRP CZ2 C -3.305 5.892 -2.591 1.00 . A A . 4 TRP CZ2 1 1 3 591 1 1 4 TRP CZ3 C -2.796 5.931 -0.208 1.00 . A A . 4 TRP CZ3 1 1 3 592 1 1 4 TRP H H -5.045 0.962 0.703 1.00 . A A . 4 TRP H 1 1 3 593 1 1 4 TRP HA H -3.909 -0.096 -1.826 1.00 . A A . 4 TRP HA 1 1 3 594 1 1 4 TRP HB2 H -2.880 1.668 0.463 1.00 . A A . 4 TRP HB2 1 1 3 595 1 1 4 TRP HB3 H -1.744 1.031 -0.665 1.00 . A A . 4 TRP HB3 1 1 3 596 1 1 4 TRP HD1 H -3.579 1.395 -3.467 1.00 . A A . 4 TRP HD1 1 1 3 597 1 1 4 TRP HE1 H -3.839 3.790 -4.529 1.00 . A A . 4 TRP HE1 1 1 3 598 1 1 4 TRP HE3 H -2.560 4.035 0.788 1.00 . A A . 4 TRP HE3 1 1 3 599 1 1 4 TRP HH2 H -3.131 7.678 -1.416 1.00 . A A . 4 TRP HH2 1 1 3 600 1 1 4 TRP HZ2 H -3.552 6.412 -3.505 1.00 . A A . 4 TRP HZ2 1 1 3 601 1 1 4 TRP HZ3 H -2.632 6.505 0.693 1.00 . A A . 4 TRP HZ3 1 1 3 602 1 1 4 TRP N N -4.933 0.224 -0.002 1.00 . A A . 4 TRP N 1 1 3 603 1 1 4 TRP NE1 N -3.513 3.582 -3.578 1.00 . A A . 4 TRP NE1 1 1 3 604 1 1 4 TRP O O -2.388 -1.353 0.792 1.00 . A A . 4 TRP O 1 1 3 605 1 1 5 PHE C C -0.983 -3.747 -1.239 1.00 . A A . 5 PHE C 1 1 3 606 1 1 5 PHE CA C -2.489 -3.684 -0.805 1.00 . A A . 5 PHE CA 1 1 3 607 1 1 5 PHE CB C -3.372 -4.822 -1.425 1.00 . A A . 5 PHE CB 1 1 3 608 1 1 5 PHE CD1 C -5.492 -4.818 0.009 1.00 . A A . 5 PHE CD1 1 1 3 609 1 1 5 PHE CD2 C -5.723 -4.612 -2.386 1.00 . A A . 5 PHE CD2 1 1 3 610 1 1 5 PHE CE1 C -6.876 -4.744 0.144 1.00 . A A . 5 PHE CE1 1 1 3 611 1 1 5 PHE CE2 C -7.105 -4.532 -2.248 1.00 . A A . 5 PHE CE2 1 1 3 612 1 1 5 PHE CG C -4.904 -4.755 -1.259 1.00 . A A . 5 PHE CG 1 1 3 613 1 1 5 PHE CZ C -7.682 -4.600 -0.982 1.00 . A A . 5 PHE CZ 1 1 3 614 1 1 5 PHE H H -3.837 -2.249 -1.790 1.00 . A A . 5 PHE H 1 1 3 615 1 1 5 PHE HA H -2.510 -3.838 0.294 1.00 . A A . 5 PHE HA 1 1 3 616 1 1 5 PHE HB2 H -3.144 -4.914 -2.504 1.00 . A A . 5 PHE HB2 1 1 3 617 1 1 5 PHE HB3 H -3.028 -5.791 -1.015 1.00 . A A . 5 PHE HB3 1 1 3 618 1 1 5 PHE HD1 H -4.875 -4.907 0.892 1.00 . A A . 5 PHE HD1 1 1 3 619 1 1 5 PHE HD2 H -5.293 -4.558 -3.378 1.00 . A A . 5 PHE HD2 1 1 3 620 1 1 5 PHE HE1 H -7.325 -4.775 1.127 1.00 . A A . 5 PHE HE1 1 1 3 621 1 1 5 PHE HE2 H -7.731 -4.414 -3.122 1.00 . A A . 5 PHE HE2 1 1 3 622 1 1 5 PHE HZ H -8.754 -4.524 -0.876 1.00 . A A . 5 PHE HZ 1 1 3 623 1 1 5 PHE N N -3.062 -2.342 -1.122 1.00 . A A . 5 PHE N 1 1 3 624 1 1 5 PHE O O -0.080 -3.700 -0.398 1.00 . A A . 5 PHE O 1 1 3 625 1 1 6 SER C C 1.312 -2.225 -2.919 1.00 . A A . 6 SER C 1 1 3 626 1 1 6 SER CA C 0.630 -3.613 -3.155 1.00 . A A . 6 SER CA 1 1 3 627 1 1 6 SER CB C 0.487 -3.955 -4.658 1.00 . A A . 6 SER CB 1 1 3 628 1 1 6 SER H H -1.575 -3.745 -3.138 1.00 . A A . 6 SER H 1 1 3 629 1 1 6 SER HA H 1.296 -4.372 -2.698 1.00 . A A . 6 SER HA 1 1 3 630 1 1 6 SER HB2 H 0.112 -4.990 -4.790 1.00 . A A . 6 SER HB2 1 1 3 631 1 1 6 SER HB3 H -0.269 -3.302 -5.138 1.00 . A A . 6 SER HB3 1 1 3 632 1 1 6 SER HG H 2.302 -4.526 -5.096 1.00 . A A . 6 SER HG 1 1 3 633 1 1 6 SER N N -0.727 -3.770 -2.563 1.00 . A A . 6 SER N 1 1 3 634 1 1 6 SER O O 2.492 -2.191 -2.575 1.00 . A A . 6 SER O 1 1 3 635 1 1 6 SER OG O 1.721 -3.807 -5.361 1.00 . A A . 6 SER OG 1 1 3 636 1 1 7 LYS C C 1.658 0.426 -1.216 1.00 . A A . 7 LYS C 1 1 3 637 1 1 7 LYS CA C 1.069 0.258 -2.658 1.00 . A A . 7 LYS CA 1 1 3 638 1 1 7 LYS CB C -0.100 1.253 -2.908 1.00 . A A . 7 LYS CB 1 1 3 639 1 1 7 LYS CD C 0.893 3.178 -4.263 1.00 . A A . 7 LYS CD 1 1 3 640 1 1 7 LYS CE C 0.920 3.880 -5.631 1.00 . A A . 7 LYS CE 1 1 3 641 1 1 7 LYS CG C -0.082 1.986 -4.262 1.00 . A A . 7 LYS CG 1 1 3 642 1 1 7 LYS H H -0.387 -1.284 -3.325 1.00 . A A . 7 LYS H 1 1 3 643 1 1 7 LYS HA H 1.905 0.512 -3.338 1.00 . A A . 7 LYS HA 1 1 3 644 1 1 7 LYS HB2 H -1.072 0.733 -2.812 1.00 . A A . 7 LYS HB2 1 1 3 645 1 1 7 LYS HB3 H -0.155 2.016 -2.104 1.00 . A A . 7 LYS HB3 1 1 3 646 1 1 7 LYS HD2 H 0.585 3.872 -3.453 1.00 . A A . 7 LYS HD2 1 1 3 647 1 1 7 LYS HD3 H 1.912 2.839 -3.985 1.00 . A A . 7 LYS HD3 1 1 3 648 1 1 7 LYS HE2 H 1.521 3.276 -6.349 1.00 . A A . 7 LYS HE2 1 1 3 649 1 1 7 LYS HE3 H -0.101 3.916 -6.075 1.00 . A A . 7 LYS HE3 1 1 3 650 1 1 7 LYS HG2 H 0.125 1.272 -5.084 1.00 . A A . 7 LYS HG2 1 1 3 651 1 1 7 LYS HG3 H -1.101 2.368 -4.466 1.00 . A A . 7 LYS HG3 1 1 3 652 1 1 7 LYS HZ1 H 1.533 5.770 -6.363 1.00 . A A . 7 LYS HZ1 1 1 3 653 1 1 7 LYS HZ2 H 0.880 5.828 -4.856 1.00 . A A . 7 LYS HZ2 1 1 3 654 1 1 7 LYS HZ3 H 2.404 5.259 -5.059 1.00 . A A . 7 LYS HZ3 1 1 3 655 1 1 7 LYS N N 0.584 -1.100 -3.056 1.00 . A A . 7 LYS N 1 1 3 656 1 1 7 LYS NZ N 1.466 5.253 -5.476 1.00 . A A . 7 LYS NZ 1 1 3 657 1 1 7 LYS O O 2.686 1.092 -1.053 1.00 . A A . 7 LYS O 1 1 3 658 1 1 8 PHE C C 2.986 -1.150 1.158 1.00 . A A . 8 PHE C 1 1 3 659 1 1 8 PHE CA C 1.649 -0.358 1.155 1.00 . A A . 8 PHE CA 1 1 3 660 1 1 8 PHE CB C 0.596 -0.994 2.116 1.00 . A A . 8 PHE CB 1 1 3 661 1 1 8 PHE CD1 C -0.681 1.137 2.711 1.00 . A A . 8 PHE CD1 1 1 3 662 1 1 8 PHE CD2 C 0.146 -0.263 4.497 1.00 . A A . 8 PHE CD2 1 1 3 663 1 1 8 PHE CE1 C -1.155 2.052 3.645 1.00 . A A . 8 PHE CE1 1 1 3 664 1 1 8 PHE CE2 C -0.332 0.649 5.430 1.00 . A A . 8 PHE CE2 1 1 3 665 1 1 8 PHE CG C -0.014 -0.020 3.128 1.00 . A A . 8 PHE CG 1 1 3 666 1 1 8 PHE CZ C -0.978 1.807 5.008 1.00 . A A . 8 PHE CZ 1 1 3 667 1 1 8 PHE H H 0.262 -0.795 -0.501 1.00 . A A . 8 PHE H 1 1 3 668 1 1 8 PHE HA H 1.914 0.654 1.525 1.00 . A A . 8 PHE HA 1 1 3 669 1 1 8 PHE HB2 H -0.206 -1.505 1.560 1.00 . A A . 8 PHE HB2 1 1 3 670 1 1 8 PHE HB3 H 1.042 -1.849 2.661 1.00 . A A . 8 PHE HB3 1 1 3 671 1 1 8 PHE HD1 H -0.798 1.343 1.656 1.00 . A A . 8 PHE HD1 1 1 3 672 1 1 8 PHE HD2 H 0.653 -1.154 4.838 1.00 . A A . 8 PHE HD2 1 1 3 673 1 1 8 PHE HE1 H -1.644 2.956 3.317 1.00 . A A . 8 PHE HE1 1 1 3 674 1 1 8 PHE HE2 H -0.192 0.456 6.486 1.00 . A A . 8 PHE HE2 1 1 3 675 1 1 8 PHE HZ H -1.335 2.520 5.735 1.00 . A A . 8 PHE HZ 1 1 3 676 1 1 8 PHE N N 1.035 -0.194 -0.195 1.00 . A A . 8 PHE N 1 1 3 677 1 1 8 PHE O O 4.019 -0.585 1.528 1.00 . A A . 8 PHE O 1 1 3 678 1 1 9 LEU C C 5.333 -2.484 -0.355 1.00 . A A . 9 LEU C 1 1 3 679 1 1 9 LEU CA C 4.216 -3.205 0.468 1.00 . A A . 9 LEU CA 1 1 3 680 1 1 9 LEU CB C 3.850 -4.611 -0.103 1.00 . A A . 9 LEU CB 1 1 3 681 1 1 9 LEU CD1 C 3.109 -5.858 2.008 1.00 . A A . 9 LEU CD1 1 1 3 682 1 1 9 LEU CD2 C 4.109 -7.124 0.073 1.00 . A A . 9 LEU CD2 1 1 3 683 1 1 9 LEU CG C 4.126 -5.799 0.853 1.00 . A A . 9 LEU CG 1 1 3 684 1 1 9 LEU H H 2.055 -2.738 0.367 1.00 . A A . 9 LEU H 1 1 3 685 1 1 9 LEU HA H 4.663 -3.348 1.473 1.00 . A A . 9 LEU HA 1 1 3 686 1 1 9 LEU HB2 H 2.796 -4.656 -0.447 1.00 . A A . 9 LEU HB2 1 1 3 687 1 1 9 LEU HB3 H 4.416 -4.780 -1.040 1.00 . A A . 9 LEU HB3 1 1 3 688 1 1 9 LEU HD11 H 2.076 -6.017 1.646 1.00 . A A . 9 LEU HD11 1 1 3 689 1 1 9 LEU HD12 H 3.339 -6.679 2.713 1.00 . A A . 9 LEU HD12 1 1 3 690 1 1 9 LEU HD13 H 3.103 -4.926 2.602 1.00 . A A . 9 LEU HD13 1 1 3 691 1 1 9 LEU HD21 H 4.942 -7.171 -0.655 1.00 . A A . 9 LEU HD21 1 1 3 692 1 1 9 LEU HD22 H 4.223 -8.000 0.738 1.00 . A A . 9 LEU HD22 1 1 3 693 1 1 9 LEU HD23 H 3.170 -7.262 -0.496 1.00 . A A . 9 LEU HD23 1 1 3 694 1 1 9 LEU HG H 5.140 -5.685 1.288 1.00 . A A . 9 LEU HG 1 1 3 695 1 1 9 LEU N N 2.975 -2.415 0.692 1.00 . A A . 9 LEU N 1 1 3 696 1 1 9 LEU O O 6.463 -2.461 0.115 1.00 . A A . 9 LEU O 1 1 3 697 1 1 10 GLY C C 6.675 0.195 -1.470 1.00 . A A . 10 GLY C 1 1 3 698 1 1 10 GLY CA C 5.981 -0.963 -2.234 1.00 . A A . 10 GLY CA 1 1 3 699 1 1 10 GLY H H 4.028 -1.931 -1.765 1.00 . A A . 10 GLY H 1 1 3 700 1 1 10 GLY HA2 H 6.767 -1.593 -2.689 1.00 . A A . 10 GLY HA2 1 1 3 701 1 1 10 GLY HA3 H 5.450 -0.519 -3.095 1.00 . A A . 10 GLY HA3 1 1 3 702 1 1 10 GLY N N 5.027 -1.844 -1.499 1.00 . A A . 10 GLY N 1 1 3 703 1 1 10 GLY O O 7.890 0.363 -1.591 1.00 . A A . 10 GLY O 1 1 3 704 1 1 11 ARG C C 7.344 1.298 1.458 1.00 . A A . 11 ARG C 1 1 3 705 1 1 11 ARG CA C 6.507 1.937 0.303 1.00 . A A . 11 ARG CA 1 1 3 706 1 1 11 ARG CB C 5.367 2.843 0.858 1.00 . A A . 11 ARG CB 1 1 3 707 1 1 11 ARG CD C 6.128 5.281 0.362 1.00 . A A . 11 ARG CD 1 1 3 708 1 1 11 ARG CG C 5.112 4.146 0.068 1.00 . A A . 11 ARG CG 1 1 3 709 1 1 11 ARG CZ C 7.244 5.826 -1.824 1.00 . A A . 11 ARG CZ 1 1 3 710 1 1 11 ARG H H 4.938 0.675 -0.627 1.00 . A A . 11 ARG H 1 1 3 711 1 1 11 ARG HA H 7.228 2.574 -0.246 1.00 . A A . 11 ARG HA 1 1 3 712 1 1 11 ARG HB2 H 4.424 2.264 0.932 1.00 . A A . 11 ARG HB2 1 1 3 713 1 1 11 ARG HB3 H 5.564 3.117 1.915 1.00 . A A . 11 ARG HB3 1 1 3 714 1 1 11 ARG HD2 H 5.613 6.262 0.392 1.00 . A A . 11 ARG HD2 1 1 3 715 1 1 11 ARG HD3 H 6.520 5.182 1.396 1.00 . A A . 11 ARG HD3 1 1 3 716 1 1 11 ARG HE H 8.201 4.966 -0.309 1.00 . A A . 11 ARG HE 1 1 3 717 1 1 11 ARG HG2 H 5.041 3.919 -1.015 1.00 . A A . 11 ARG HG2 1 1 3 718 1 1 11 ARG HG3 H 4.100 4.505 0.338 1.00 . A A . 11 ARG HG3 1 1 3 719 1 1 11 ARG HH11 H 6.209 6.711 -3.307 1.00 . A A . 11 ARG HH11 1 1 3 720 1 1 11 ARG HH12 H 5.354 6.288 -1.737 1.00 . A A . 11 ARG HH12 1 1 3 721 1 1 11 ARG HH21 H 8.282 6.216 -3.472 1.00 . A A . 11 ARG HH21 1 1 3 722 1 1 11 ARG HH22 H 9.173 5.431 -2.093 1.00 . A A . 11 ARG HH22 1 1 3 723 1 1 11 ARG N N 5.921 0.975 -0.678 1.00 . A A . 11 ARG N 1 1 3 724 1 1 11 ARG NE N 7.278 5.316 -0.590 1.00 . A A . 11 ARG NE 1 1 3 725 1 1 11 ARG NH1 N 6.161 6.327 -2.363 1.00 . A A . 11 ARG NH1 1 1 3 726 1 1 11 ARG NH2 N 8.337 5.823 -2.531 1.00 . A A . 11 ARG NH2 1 1 3 727 1 1 11 ARG O O 8.505 1.675 1.643 1.00 . A A . 11 ARG O 1 1 3 728 1 1 12 ILE C C 8.721 -1.226 2.842 1.00 . A A . 12 ILE C 1 1 3 729 1 1 12 ILE CA C 7.480 -0.375 3.325 1.00 . A A . 12 ILE CA 1 1 3 730 1 1 12 ILE CB C 6.466 -1.202 4.208 1.00 . A A . 12 ILE CB 1 1 3 731 1 1 12 ILE CD1 C 4.092 -1.298 5.334 1.00 . A A . 12 ILE CD1 1 1 3 732 1 1 12 ILE CG1 C 5.179 -0.435 4.660 1.00 . A A . 12 ILE CG1 1 1 3 733 1 1 12 ILE CG2 C 7.156 -1.844 5.451 1.00 . A A . 12 ILE CG2 1 1 3 734 1 1 12 ILE H H 5.811 0.094 1.929 1.00 . A A . 12 ILE H 1 1 3 735 1 1 12 ILE HA H 7.904 0.403 3.992 1.00 . A A . 12 ILE HA 1 1 3 736 1 1 12 ILE HB H 6.112 -2.030 3.561 1.00 . A A . 12 ILE HB 1 1 3 737 1 1 12 ILE HD11 H 4.170 -2.367 5.060 1.00 . A A . 12 ILE HD11 1 1 3 738 1 1 12 ILE HD12 H 4.157 -1.239 6.436 1.00 . A A . 12 ILE HD12 1 1 3 739 1 1 12 ILE HD13 H 3.076 -0.967 5.052 1.00 . A A . 12 ILE HD13 1 1 3 740 1 1 12 ILE HG12 H 5.443 0.421 5.310 1.00 . A A . 12 ILE HG12 1 1 3 741 1 1 12 ILE HG13 H 4.702 0.038 3.785 1.00 . A A . 12 ILE HG13 1 1 3 742 1 1 12 ILE HG21 H 7.246 -2.939 5.330 1.00 . A A . 12 ILE HG21 1 1 3 743 1 1 12 ILE HG22 H 8.179 -1.465 5.632 1.00 . A A . 12 ILE HG22 1 1 3 744 1 1 12 ILE HG23 H 6.612 -1.680 6.400 1.00 . A A . 12 ILE HG23 1 1 3 745 1 1 12 ILE N N 6.767 0.350 2.221 1.00 . A A . 12 ILE N 1 1 3 746 1 1 12 ILE O O 9.721 -1.286 3.561 1.00 . A A . 12 ILE O 1 1 3 747 1 1 13 LEU C C 11.208 -1.605 0.967 1.00 . A A . 13 LEU C 1 1 3 748 1 1 13 LEU CA C 9.871 -2.420 0.934 1.00 . A A . 13 LEU CA 1 1 3 749 1 1 13 LEU CB C 9.456 -2.745 -0.546 1.00 . A A . 13 LEU CB 1 1 3 750 1 1 13 LEU CD1 C 8.217 -4.274 -2.176 1.00 . A A . 13 LEU CD1 1 1 3 751 1 1 13 LEU CD2 C 10.135 -5.186 -0.826 1.00 . A A . 13 LEU CD2 1 1 3 752 1 1 13 LEU CG C 8.961 -4.189 -0.826 1.00 . A A . 13 LEU CG 1 1 3 753 1 1 13 LEU H H 7.775 -1.772 1.154 1.00 . A A . 13 LEU H 1 1 3 754 1 1 13 LEU HA H 10.097 -3.370 1.456 1.00 . A A . 13 LEU HA 1 1 3 755 1 1 13 LEU HB2 H 8.695 -2.017 -0.888 1.00 . A A . 13 LEU HB2 1 1 3 756 1 1 13 LEU HB3 H 10.291 -2.541 -1.244 1.00 . A A . 13 LEU HB3 1 1 3 757 1 1 13 LEU HD11 H 8.128 -5.311 -2.550 1.00 . A A . 13 LEU HD11 1 1 3 758 1 1 13 LEU HD12 H 7.186 -3.889 -2.093 1.00 . A A . 13 LEU HD12 1 1 3 759 1 1 13 LEU HD13 H 8.717 -3.688 -2.970 1.00 . A A . 13 LEU HD13 1 1 3 760 1 1 13 LEU HD21 H 10.716 -5.146 -1.767 1.00 . A A . 13 LEU HD21 1 1 3 761 1 1 13 LEU HD22 H 10.850 -4.998 -0.005 1.00 . A A . 13 LEU HD22 1 1 3 762 1 1 13 LEU HD23 H 9.778 -6.224 -0.703 1.00 . A A . 13 LEU HD23 1 1 3 763 1 1 13 LEU HG H 8.248 -4.482 -0.028 1.00 . A A . 13 LEU HG 1 1 3 764 1 1 13 LEU N N 8.690 -1.829 1.633 1.00 . A A . 13 LEU N 1 1 3 765 1 1 13 LEU O O 12.267 -2.134 1.292 1.00 . A A . 13 LEU O 1 1 3 766 1 1 14 NH2 HN1 H 12.119 0.122 0.878 1.00 . A A . 14 NH2 HN1 1 1 3 767 1 1 14 NH2 HN2 H 10.306 0.117 0.570 1.00 . A A . 14 NH2 HN2 1 1 3 768 1 1 14 NH2 N N 11.230 -0.325 0.643 1.00 . A A . 14 NH2 N 1 1 4 769 1 1 1 PHE C C -9.822 4.916 1.091 1.00 . A A . 1 PHE C 1 1 4 770 1 1 1 PHE CA C -9.806 6.111 2.090 1.00 . A A . 1 PHE CA 1 1 4 771 1 1 1 PHE CB C -9.426 5.661 3.533 1.00 . A A . 1 PHE CB 1 1 4 772 1 1 1 PHE CD1 C -11.547 5.195 4.854 1.00 . A A . 1 PHE CD1 1 1 4 773 1 1 1 PHE CD2 C -10.191 3.304 4.199 1.00 . A A . 1 PHE CD2 1 1 4 774 1 1 1 PHE CE1 C -12.489 4.333 5.398 1.00 . A A . 1 PHE CE1 1 1 4 775 1 1 1 PHE CE2 C -11.129 2.443 4.761 1.00 . A A . 1 PHE CE2 1 1 4 776 1 1 1 PHE CG C -10.396 4.691 4.237 1.00 . A A . 1 PHE CG 1 1 4 777 1 1 1 PHE CZ C -12.280 2.956 5.356 1.00 . A A . 1 PHE CZ 1 1 4 778 1 1 1 PHE H1 H -11.148 7.646 2.694 1.00 . A A . 1 PHE H1 1 1 4 779 1 1 1 PHE H2 H -11.396 7.122 1.127 1.00 . A A . 1 PHE H2 1 1 4 780 1 1 1 PHE H3 H -11.845 6.181 2.382 1.00 . A A . 1 PHE H3 1 1 4 781 1 1 1 PHE HA H -9.022 6.818 1.748 1.00 . A A . 1 PHE HA 1 1 4 782 1 1 1 PHE HB2 H -8.421 5.192 3.500 1.00 . A A . 1 PHE HB2 1 1 4 783 1 1 1 PHE HB3 H -9.260 6.547 4.175 1.00 . A A . 1 PHE HB3 1 1 4 784 1 1 1 PHE HD1 H -11.728 6.260 4.901 1.00 . A A . 1 PHE HD1 1 1 4 785 1 1 1 PHE HD2 H -9.317 2.884 3.720 1.00 . A A . 1 PHE HD2 1 1 4 786 1 1 1 PHE HE1 H -13.387 4.728 5.853 1.00 . A A . 1 PHE HE1 1 1 4 787 1 1 1 PHE HE2 H -10.972 1.372 4.736 1.00 . A A . 1 PHE HE2 1 1 4 788 1 1 1 PHE HZ H -13.010 2.289 5.790 1.00 . A A . 1 PHE HZ 1 1 4 789 1 1 1 PHE N N -11.111 6.833 2.071 1.00 . A A . 1 PHE N 1 1 4 790 1 1 1 PHE O O -10.856 4.263 0.929 1.00 . A A . 1 PHE O 1 1 4 791 1 1 2 VAL C C -7.706 2.310 0.258 1.00 . A A . 2 VAL C 1 1 4 792 1 1 2 VAL CA C -8.558 3.443 -0.441 1.00 . A A . 2 VAL CA 1 1 4 793 1 1 2 VAL CB C -8.058 3.880 -1.855 1.00 . A A . 2 VAL CB 1 1 4 794 1 1 2 VAL CG1 C -6.556 4.196 -1.908 1.00 . A A . 2 VAL CG1 1 1 4 795 1 1 2 VAL CG2 C -8.372 2.834 -2.947 1.00 . A A . 2 VAL CG2 1 1 4 796 1 1 2 VAL H H -7.839 5.127 0.738 1.00 . A A . 2 VAL H 1 1 4 797 1 1 2 VAL HA H -9.573 3.048 -0.626 1.00 . A A . 2 VAL HA 1 1 4 798 1 1 2 VAL HB H -8.609 4.798 -2.144 1.00 . A A . 2 VAL HB 1 1 4 799 1 1 2 VAL HG11 H -5.956 3.267 -1.838 1.00 . A A . 2 VAL HG11 1 1 4 800 1 1 2 VAL HG12 H -6.267 4.706 -2.843 1.00 . A A . 2 VAL HG12 1 1 4 801 1 1 2 VAL HG13 H -6.227 4.832 -1.066 1.00 . A A . 2 VAL HG13 1 1 4 802 1 1 2 VAL HG21 H -8.069 3.169 -3.956 1.00 . A A . 2 VAL HG21 1 1 4 803 1 1 2 VAL HG22 H -7.857 1.870 -2.763 1.00 . A A . 2 VAL HG22 1 1 4 804 1 1 2 VAL HG23 H -9.456 2.616 -3.006 1.00 . A A . 2 VAL HG23 1 1 4 805 1 1 2 VAL N N -8.687 4.635 0.440 1.00 . A A . 2 VAL N 1 1 4 806 1 1 2 VAL O O -6.667 2.616 0.860 1.00 . A A . 2 VAL O 1 1 4 807 1 1 3 . C C -6.031 -0.374 -0.331 1.00 . A A . 3 PH6 C 1 1 4 808 1 1 3 . C1 C -10.716 -1.575 -0.060 1.00 . A A . 3 PH6 C1 1 1 4 809 1 1 3 . C2 C -11.727 -1.227 -1.201 1.00 . A A . 3 PH6 C2 1 1 4 810 1 1 3 . C3 C -13.125 -1.823 -0.929 1.00 . A A . 3 PH6 C3 1 1 4 811 1 1 3 . C4 C -13.658 -1.379 0.456 1.00 . A A . 3 PH6 C4 1 1 4 812 1 1 3 . C5 C -12.687 -1.783 1.588 1.00 . A A . 3 PH6 C5 1 1 4 813 1 1 3 . C6 C -11.301 -1.172 1.338 1.00 . A A . 3 PH6 C6 1 1 4 814 1 1 3 . CA C -7.225 -0.122 0.625 1.00 . A A . 3 PH6 CA 1 1 4 815 1 1 3 . CB C -8.215 -1.293 0.670 1.00 . A A . 3 PH6 CB 1 1 4 816 1 1 3 . CD C -9.345 0.571 -0.411 1.00 . A A . 3 PH6 CD 1 1 4 817 1 1 3 . CG C -9.325 -0.956 -0.345 1.00 . A A . 3 PH6 CG 1 1 4 818 1 1 3 . H1 H -10.582 -2.675 -0.067 1.00 . A A . 3 PH6 H1 1 1 4 819 1 1 3 . H21 H -11.349 -1.577 -2.181 1.00 . A A . 3 PH6 H21 1 1 4 820 1 1 3 . H22 H -11.831 -0.130 -1.309 1.00 . A A . 3 PH6 H22 1 1 4 821 1 1 3 . H31 H -13.831 -1.526 -1.728 1.00 . A A . 3 PH6 H31 1 1 4 822 1 1 3 . H32 H -13.068 -2.928 -0.975 1.00 . A A . 3 PH6 H32 1 1 4 823 1 1 3 . H41 H -14.656 -1.815 0.644 1.00 . A A . 3 PH6 H41 1 1 4 824 1 1 3 . H42 H -13.804 -0.281 0.466 1.00 . A A . 3 PH6 H42 1 1 4 825 1 1 3 . H51 H -13.066 -1.450 2.572 1.00 . A A . 3 PH6 H51 1 1 4 826 1 1 3 . H52 H -12.596 -2.884 1.652 1.00 . A A . 3 PH6 H52 1 1 4 827 1 1 3 . H61 H -10.631 -1.474 2.160 1.00 . A A . 3 PH6 H61 1 1 4 828 1 1 3 . H62 H -11.395 -0.076 1.437 1.00 . A A . 3 PH6 H62 1 1 4 829 1 1 3 . HA H -6.856 0.055 1.657 1.00 . A A . 3 PH6 HA 1 1 4 830 1 1 3 . HB2 H -8.593 -1.395 1.699 1.00 . A A . 3 PH6 HB2 1 1 4 831 1 1 3 . HB3 H -7.736 -2.264 0.445 1.00 . A A . 3 PH6 HB3 1 1 4 832 1 1 3 . HD2 H -10.173 1.020 0.166 1.00 . A A . 3 PH6 HD2 1 1 4 833 1 1 3 . HD3 H -9.486 0.893 -1.456 1.00 . A A . 3 PH6 HD3 1 1 4 834 1 1 3 . HG2 H -8.970 -1.318 -1.334 1.00 . A A . 3 PH6 HG2 1 1 4 835 1 1 3 . N N -8.072 1.004 0.166 1.00 . A A . 3 PH6 N 1 1 4 836 1 1 3 . O O -6.110 -1.081 -1.342 1.00 . A A . 3 PH6 O 1 1 4 837 1 1 4 TRP C C -2.943 -1.249 -0.305 1.00 . A A . 4 TRP C 1 1 4 838 1 1 4 TRP CA C -3.657 0.055 -0.752 1.00 . A A . 4 TRP CA 1 1 4 839 1 1 4 TRP CB C -2.812 1.336 -0.575 1.00 . A A . 4 TRP CB 1 1 4 840 1 1 4 TRP CD1 C -3.411 2.375 -2.941 1.00 . A A . 4 TRP CD1 1 1 4 841 1 1 4 TRP CD2 C -3.034 3.835 -1.307 1.00 . A A . 4 TRP CD2 1 1 4 842 1 1 4 TRP CE2 C -3.301 4.524 -2.519 1.00 . A A . 4 TRP CE2 1 1 4 843 1 1 4 TRP CE3 C -2.819 4.553 -0.104 1.00 . A A . 4 TRP CE3 1 1 4 844 1 1 4 TRP CG C -3.100 2.481 -1.560 1.00 . A A . 4 TRP CG 1 1 4 845 1 1 4 TRP CH2 C -3.189 6.625 -1.329 1.00 . A A . 4 TRP CH2 1 1 4 846 1 1 4 TRP CZ2 C -3.398 5.932 -2.524 1.00 . A A . 4 TRP CZ2 1 1 4 847 1 1 4 TRP CZ3 C -2.896 5.945 -0.139 1.00 . A A . 4 TRP CZ3 1 1 4 848 1 1 4 TRP H H -5.009 0.915 0.775 1.00 . A A . 4 TRP H 1 1 4 849 1 1 4 TRP HA H -3.894 -0.053 -1.830 1.00 . A A . 4 TRP HA 1 1 4 850 1 1 4 TRP HB2 H -2.879 1.697 0.469 1.00 . A A . 4 TRP HB2 1 1 4 851 1 1 4 TRP HB3 H -1.750 1.063 -0.666 1.00 . A A . 4 TRP HB3 1 1 4 852 1 1 4 TRP HD1 H -3.521 1.440 -3.473 1.00 . A A . 4 TRP HD1 1 1 4 853 1 1 4 TRP HE1 H -3.868 3.841 -4.500 1.00 . A A . 4 TRP HE1 1 1 4 854 1 1 4 TRP HE3 H -2.626 4.038 0.826 1.00 . A A . 4 TRP HE3 1 1 4 855 1 1 4 TRP HH2 H -3.272 7.702 -1.319 1.00 . A A . 4 TRP HH2 1 1 4 856 1 1 4 TRP HZ2 H -3.661 6.457 -3.430 1.00 . A A . 4 TRP HZ2 1 1 4 857 1 1 4 TRP HZ3 H -2.743 6.505 0.772 1.00 . A A . 4 TRP HZ3 1 1 4 858 1 1 4 TRP N N -4.905 0.244 0.006 1.00 . A A . 4 TRP N 1 1 4 859 1 1 4 TRP NE1 N -3.517 3.634 -3.557 1.00 . A A . 4 TRP NE1 1 1 4 860 1 1 4 TRP O O -2.270 -1.286 0.720 1.00 . A A . 4 TRP O 1 1 4 861 1 1 5 PHE C C -1.017 -3.705 -1.200 1.00 . A A . 5 PHE C 1 1 4 862 1 1 5 PHE CA C -2.525 -3.651 -0.781 1.00 . A A . 5 PHE CA 1 1 4 863 1 1 5 PHE CB C -3.380 -4.784 -1.441 1.00 . A A . 5 PHE CB 1 1 4 864 1 1 5 PHE CD1 C -5.506 -5.215 -0.109 1.00 . A A . 5 PHE CD1 1 1 4 865 1 1 5 PHE CD2 C -5.696 -4.163 -2.276 1.00 . A A . 5 PHE CD2 1 1 4 866 1 1 5 PHE CE1 C -6.886 -5.144 0.041 1.00 . A A . 5 PHE CE1 1 1 4 867 1 1 5 PHE CE2 C -7.074 -4.087 -2.122 1.00 . A A . 5 PHE CE2 1 1 4 868 1 1 5 PHE CG C -4.902 -4.730 -1.272 1.00 . A A . 5 PHE CG 1 1 4 869 1 1 5 PHE CZ C -7.673 -4.587 -0.966 1.00 . A A . 5 PHE CZ 1 1 4 870 1 1 5 PHE H H -3.930 -2.224 -1.700 1.00 . A A . 5 PHE H 1 1 4 871 1 1 5 PHE HA H -2.568 -3.812 0.317 1.00 . A A . 5 PHE HA 1 1 4 872 1 1 5 PHE HB2 H -3.165 -4.843 -2.525 1.00 . A A . 5 PHE HB2 1 1 4 873 1 1 5 PHE HB3 H -3.012 -5.758 -1.064 1.00 . A A . 5 PHE HB3 1 1 4 874 1 1 5 PHE HD1 H -4.901 -5.642 0.678 1.00 . A A . 5 PHE HD1 1 1 4 875 1 1 5 PHE HD2 H -5.244 -3.757 -3.172 1.00 . A A . 5 PHE HD2 1 1 4 876 1 1 5 PHE HE1 H -7.348 -5.518 0.945 1.00 . A A . 5 PHE HE1 1 1 4 877 1 1 5 PHE HE2 H -7.679 -3.623 -2.888 1.00 . A A . 5 PHE HE2 1 1 4 878 1 1 5 PHE HZ H -8.742 -4.519 -0.843 1.00 . A A . 5 PHE HZ 1 1 4 879 1 1 5 PHE N N -3.097 -2.310 -1.104 1.00 . A A . 5 PHE N 1 1 4 880 1 1 5 PHE O O -0.111 -3.626 -0.367 1.00 . A A . 5 PHE O 1 1 4 881 1 1 6 SER C C 1.261 -2.200 -2.905 1.00 . A A . 6 SER C 1 1 4 882 1 1 6 SER CA C 0.580 -3.586 -3.124 1.00 . A A . 6 SER CA 1 1 4 883 1 1 6 SER CB C 0.474 -3.934 -4.635 1.00 . A A . 6 SER CB 1 1 4 884 1 1 6 SER H H -1.632 -3.709 -3.078 1.00 . A A . 6 SER H 1 1 4 885 1 1 6 SER HA H 1.243 -4.329 -2.635 1.00 . A A . 6 SER HA 1 1 4 886 1 1 6 SER HB2 H -0.570 -4.025 -4.998 1.00 . A A . 6 SER HB2 1 1 4 887 1 1 6 SER HB3 H 0.904 -3.129 -5.265 1.00 . A A . 6 SER HB3 1 1 4 888 1 1 6 SER HG H 0.569 -5.793 -5.238 1.00 . A A . 6 SER HG 1 1 4 889 1 1 6 SER N N -0.772 -3.729 -2.523 1.00 . A A . 6 SER N 1 1 4 890 1 1 6 SER O O 2.440 -2.146 -2.569 1.00 . A A . 6 SER O 1 1 4 891 1 1 6 SER OG O 1.191 -5.135 -4.909 1.00 . A A . 6 SER OG 1 1 4 892 1 1 7 LYS C C 1.638 0.436 -1.220 1.00 . A A . 7 LYS C 1 1 4 893 1 1 7 LYS CA C 1.014 0.273 -2.649 1.00 . A A . 7 LYS CA 1 1 4 894 1 1 7 LYS CB C -0.159 1.278 -2.855 1.00 . A A . 7 LYS CB 1 1 4 895 1 1 7 LYS CD C 0.976 3.356 -3.785 1.00 . A A . 7 LYS CD 1 1 4 896 1 1 7 LYS CE C 1.734 3.821 -5.044 1.00 . A A . 7 LYS CE 1 1 4 897 1 1 7 LYS CG C -0.015 2.204 -4.071 1.00 . A A . 7 LYS CG 1 1 4 898 1 1 7 LYS H H -0.458 -1.294 -3.230 1.00 . A A . 7 LYS H 1 1 4 899 1 1 7 LYS HA H 1.840 0.526 -3.344 1.00 . A A . 7 LYS HA 1 1 4 900 1 1 7 LYS HB2 H -1.130 0.748 -2.914 1.00 . A A . 7 LYS HB2 1 1 4 901 1 1 7 LYS HB3 H -0.283 1.922 -1.961 1.00 . A A . 7 LYS HB3 1 1 4 902 1 1 7 LYS HD2 H 0.431 4.167 -3.252 1.00 . A A . 7 LYS HD2 1 1 4 903 1 1 7 LYS HD3 H 1.726 3.036 -3.029 1.00 . A A . 7 LYS HD3 1 1 4 904 1 1 7 LYS HE2 H 2.830 3.695 -4.877 1.00 . A A . 7 LYS HE2 1 1 4 905 1 1 7 LYS HE3 H 1.534 3.147 -5.912 1.00 . A A . 7 LYS HE3 1 1 4 906 1 1 7 LYS HG2 H 0.264 1.585 -4.948 1.00 . A A . 7 LYS HG2 1 1 4 907 1 1 7 LYS HG3 H -1.003 2.630 -4.335 1.00 . A A . 7 LYS HG3 1 1 4 908 1 1 7 LYS HZ1 H 1.845 5.583 -6.221 1.00 . A A . 7 LYS HZ1 1 1 4 909 1 1 7 LYS HZ2 H 0.374 5.359 -5.524 1.00 . A A . 7 LYS HZ2 1 1 4 910 1 1 7 LYS HZ3 H 1.631 5.889 -4.619 1.00 . A A . 7 LYS HZ3 1 1 4 911 1 1 7 LYS N N 0.528 -1.080 -3.055 1.00 . A A . 7 LYS N 1 1 4 912 1 1 7 LYS NZ N 1.384 5.231 -5.370 1.00 . A A . 7 LYS NZ 1 1 4 913 1 1 7 LYS O O 2.641 1.138 -1.067 1.00 . A A . 7 LYS O 1 1 4 914 1 1 8 PHE C C 2.992 -1.141 1.154 1.00 . A A . 8 PHE C 1 1 4 915 1 1 8 PHE CA C 1.657 -0.358 1.142 1.00 . A A . 8 PHE CA 1 1 4 916 1 1 8 PHE CB C 0.604 -1.000 2.092 1.00 . A A . 8 PHE CB 1 1 4 917 1 1 8 PHE CD1 C -0.216 -0.191 4.340 1.00 . A A . 8 PHE CD1 1 1 4 918 1 1 8 PHE CD2 C -0.774 1.130 2.399 1.00 . A A . 8 PHE CD2 1 1 4 919 1 1 8 PHE CE1 C -0.863 0.732 5.149 1.00 . A A . 8 PHE CE1 1 1 4 920 1 1 8 PHE CE2 C -1.419 2.054 3.207 1.00 . A A . 8 PHE CE2 1 1 4 921 1 1 8 PHE CG C -0.163 0.001 2.956 1.00 . A A . 8 PHE CG 1 1 4 922 1 1 8 PHE CZ C -1.466 1.855 4.586 1.00 . A A . 8 PHE CZ 1 1 4 923 1 1 8 PHE H H 0.304 -0.854 -0.511 1.00 . A A . 8 PHE H 1 1 4 924 1 1 8 PHE HA H 1.917 0.652 1.518 1.00 . A A . 8 PHE HA 1 1 4 925 1 1 8 PHE HB2 H -0.098 -1.655 1.543 1.00 . A A . 8 PHE HB2 1 1 4 926 1 1 8 PHE HB3 H 1.100 -1.739 2.754 1.00 . A A . 8 PHE HB3 1 1 4 927 1 1 8 PHE HD1 H 0.257 -1.055 4.787 1.00 . A A . 8 PHE HD1 1 1 4 928 1 1 8 PHE HD2 H -0.713 1.301 1.336 1.00 . A A . 8 PHE HD2 1 1 4 929 1 1 8 PHE HE1 H -0.893 0.573 6.219 1.00 . A A . 8 PHE HE1 1 1 4 930 1 1 8 PHE HE2 H -1.874 2.928 2.768 1.00 . A A . 8 PHE HE2 1 1 4 931 1 1 8 PHE HZ H -1.966 2.572 5.217 1.00 . A A . 8 PHE HZ 1 1 4 932 1 1 8 PHE N N 1.039 -0.206 -0.205 1.00 . A A . 8 PHE N 1 1 4 933 1 1 8 PHE O O 4.026 -0.556 1.482 1.00 . A A . 8 PHE O 1 1 4 934 1 1 9 LEU C C 5.320 -2.516 -0.332 1.00 . A A . 9 LEU C 1 1 4 935 1 1 9 LEU CA C 4.209 -3.213 0.506 1.00 . A A . 9 LEU CA 1 1 4 936 1 1 9 LEU CB C 3.811 -4.595 -0.090 1.00 . A A . 9 LEU CB 1 1 4 937 1 1 9 LEU CD1 C 2.986 -6.839 0.746 1.00 . A A . 9 LEU CD1 1 1 4 938 1 1 9 LEU CD2 C 5.468 -6.441 0.502 1.00 . A A . 9 LEU CD2 1 1 4 939 1 1 9 LEU CG C 4.109 -5.800 0.841 1.00 . A A . 9 LEU CG 1 1 4 940 1 1 9 LEU H H 2.060 -2.731 0.384 1.00 . A A . 9 LEU H 1 1 4 941 1 1 9 LEU HA H 4.664 -3.360 1.508 1.00 . A A . 9 LEU HA 1 1 4 942 1 1 9 LEU HB2 H 2.746 -4.596 -0.399 1.00 . A A . 9 LEU HB2 1 1 4 943 1 1 9 LEU HB3 H 4.309 -4.755 -1.067 1.00 . A A . 9 LEU HB3 1 1 4 944 1 1 9 LEU HD11 H 2.976 -7.358 -0.230 1.00 . A A . 9 LEU HD11 1 1 4 945 1 1 9 LEU HD12 H 3.082 -7.607 1.535 1.00 . A A . 9 LEU HD12 1 1 4 946 1 1 9 LEU HD13 H 1.992 -6.373 0.884 1.00 . A A . 9 LEU HD13 1 1 4 947 1 1 9 LEU HD21 H 5.572 -6.657 -0.579 1.00 . A A . 9 LEU HD21 1 1 4 948 1 1 9 LEU HD22 H 6.312 -5.782 0.778 1.00 . A A . 9 LEU HD22 1 1 4 949 1 1 9 LEU HD23 H 5.626 -7.398 1.032 1.00 . A A . 9 LEU HD23 1 1 4 950 1 1 9 LEU HG H 4.140 -5.470 1.901 1.00 . A A . 9 LEU HG 1 1 4 951 1 1 9 LEU N N 2.974 -2.416 0.732 1.00 . A A . 9 LEU N 1 1 4 952 1 1 9 LEU O O 6.458 -2.525 0.105 1.00 . A A . 9 LEU O 1 1 4 953 1 1 10 GLY C C 6.654 0.170 -1.443 1.00 . A A . 10 GLY C 1 1 4 954 1 1 10 GLY CA C 5.953 -0.986 -2.198 1.00 . A A . 10 GLY CA 1 1 4 955 1 1 10 GLY H H 3.980 -1.868 -1.635 1.00 . A A . 10 GLY H 1 1 4 956 1 1 10 GLY HA2 H 6.733 -1.627 -2.647 1.00 . A A . 10 GLY HA2 1 1 4 957 1 1 10 GLY HA3 H 5.423 -0.543 -3.059 1.00 . A A . 10 GLY HA3 1 1 4 958 1 1 10 GLY N N 4.995 -1.846 -1.449 1.00 . A A . 10 GLY N 1 1 4 959 1 1 10 GLY O O 7.866 0.342 -1.571 1.00 . A A . 10 GLY O 1 1 4 960 1 1 11 ARG C C 7.354 1.325 1.479 1.00 . A A . 11 ARG C 1 1 4 961 1 1 11 ARG CA C 6.513 1.922 0.309 1.00 . A A . 11 ARG CA 1 1 4 962 1 1 11 ARG CB C 5.397 2.866 0.857 1.00 . A A . 11 ARG CB 1 1 4 963 1 1 11 ARG CD C 6.416 5.152 0.235 1.00 . A A . 11 ARG CD 1 1 4 964 1 1 11 ARG CG C 5.231 4.175 0.053 1.00 . A A . 11 ARG CG 1 1 4 965 1 1 11 ARG CZ C 7.280 6.549 2.130 1.00 . A A . 11 ARG CZ 1 1 4 966 1 1 11 ARG H H 4.952 0.595 -0.538 1.00 . A A . 11 ARG H 1 1 4 967 1 1 11 ARG HA H 7.252 2.510 -0.268 1.00 . A A . 11 ARG HA 1 1 4 968 1 1 11 ARG HB2 H 4.434 2.319 0.927 1.00 . A A . 11 ARG HB2 1 1 4 969 1 1 11 ARG HB3 H 5.601 3.134 1.914 1.00 . A A . 11 ARG HB3 1 1 4 970 1 1 11 ARG HD2 H 7.372 4.588 0.210 1.00 . A A . 11 ARG HD2 1 1 4 971 1 1 11 ARG HD3 H 6.472 5.836 -0.636 1.00 . A A . 11 ARG HD3 1 1 4 972 1 1 11 ARG HE H 5.379 6.024 1.972 1.00 . A A . 11 ARG HE 1 1 4 973 1 1 11 ARG HG2 H 5.129 3.905 -1.017 1.00 . A A . 11 ARG HG2 1 1 4 974 1 1 11 ARG HG3 H 4.267 4.654 0.312 1.00 . A A . 11 ARG HG3 1 1 4 975 1 1 11 ARG HH11 H 9.236 6.981 2.291 1.00 . A A . 11 ARG HH11 1 1 4 976 1 1 11 ARG HH12 H 8.682 5.913 0.919 1.00 . A A . 11 ARG HH12 1 1 4 977 1 1 11 ARG HH21 H 7.787 7.693 3.664 1.00 . A A . 11 ARG HH21 1 1 4 978 1 1 11 ARG HH22 H 6.030 7.248 3.500 1.00 . A A . 11 ARG HH22 1 1 4 979 1 1 11 ARG N N 5.907 0.957 -0.655 1.00 . A A . 11 ARG N 1 1 4 980 1 1 11 ARG NE N 6.284 5.934 1.499 1.00 . A A . 11 ARG NE 1 1 4 981 1 1 11 ARG NH1 N 8.522 6.507 1.734 1.00 . A A . 11 ARG NH1 1 1 4 982 1 1 11 ARG NH2 N 7.005 7.228 3.198 1.00 . A A . 11 ARG NH2 1 1 4 983 1 1 11 ARG O O 8.499 1.738 1.679 1.00 . A A . 11 ARG O 1 1 4 984 1 1 12 ILE C C 8.718 -1.193 2.838 1.00 . A A . 12 ILE C 1 1 4 985 1 1 12 ILE CA C 7.485 -0.348 3.337 1.00 . A A . 12 ILE CA 1 1 4 986 1 1 12 ILE CB C 6.466 -1.217 4.167 1.00 . A A . 12 ILE CB 1 1 4 987 1 1 12 ILE CD1 C 4.114 -1.330 5.332 1.00 . A A . 12 ILE CD1 1 1 4 988 1 1 12 ILE CG1 C 5.176 -0.465 4.630 1.00 . A A . 12 ILE CG1 1 1 4 989 1 1 12 ILE CG2 C 7.154 -1.856 5.406 1.00 . A A . 12 ILE CG2 1 1 4 990 1 1 12 ILE H H 5.841 0.105 1.923 1.00 . A A . 12 ILE H 1 1 4 991 1 1 12 ILE HA H 7.907 0.405 4.033 1.00 . A A . 12 ILE HA 1 1 4 992 1 1 12 ILE HB H 6.139 -2.042 3.500 1.00 . A A . 12 ILE HB 1 1 4 993 1 1 12 ILE HD11 H 4.262 -1.321 6.428 1.00 . A A . 12 ILE HD11 1 1 4 994 1 1 12 ILE HD12 H 3.087 -0.971 5.132 1.00 . A A . 12 ILE HD12 1 1 4 995 1 1 12 ILE HD13 H 4.158 -2.388 5.008 1.00 . A A . 12 ILE HD13 1 1 4 996 1 1 12 ILE HG12 H 5.442 0.406 5.259 1.00 . A A . 12 ILE HG12 1 1 4 997 1 1 12 ILE HG13 H 4.682 -0.017 3.751 1.00 . A A . 12 ILE HG13 1 1 4 998 1 1 12 ILE HG21 H 7.521 -1.091 6.116 1.00 . A A . 12 ILE HG21 1 1 4 999 1 1 12 ILE HG22 H 6.482 -2.532 5.964 1.00 . A A . 12 ILE HG22 1 1 4 1000 1 1 12 ILE HG23 H 8.027 -2.477 5.128 1.00 . A A . 12 ILE HG23 1 1 4 1001 1 1 12 ILE N N 6.770 0.402 2.253 1.00 . A A . 12 ILE N 1 1 4 1002 1 1 12 ILE O O 9.717 -1.273 3.553 1.00 . A A . 12 ILE O 1 1 4 1003 1 1 13 LEU C C 11.171 -1.648 0.973 1.00 . A A . 13 LEU C 1 1 4 1004 1 1 13 LEU CA C 9.814 -2.428 0.937 1.00 . A A . 13 LEU CA 1 1 4 1005 1 1 13 LEU CB C 9.388 -2.736 -0.543 1.00 . A A . 13 LEU CB 1 1 4 1006 1 1 13 LEU CD1 C 8.221 -4.246 -2.223 1.00 . A A . 13 LEU CD1 1 1 4 1007 1 1 13 LEU CD2 C 10.099 -5.153 -0.813 1.00 . A A . 13 LEU CD2 1 1 4 1008 1 1 13 LEU CG C 8.911 -4.178 -0.845 1.00 . A A . 13 LEU CG 1 1 4 1009 1 1 13 LEU H H 7.763 -1.651 1.142 1.00 . A A . 13 LEU H 1 1 4 1010 1 1 13 LEU HA H 9.997 -3.381 1.469 1.00 . A A . 13 LEU HA 1 1 4 1011 1 1 13 LEU HB2 H 8.620 -2.014 -0.876 1.00 . A A . 13 LEU HB2 1 1 4 1012 1 1 13 LEU HB3 H 10.217 -2.512 -1.241 1.00 . A A . 13 LEU HB3 1 1 4 1013 1 1 13 LEU HD11 H 8.725 -3.613 -2.978 1.00 . A A . 13 LEU HD11 1 1 4 1014 1 1 13 LEU HD12 H 8.189 -5.272 -2.636 1.00 . A A . 13 LEU HD12 1 1 4 1015 1 1 13 LEU HD13 H 7.173 -3.905 -2.164 1.00 . A A . 13 LEU HD13 1 1 4 1016 1 1 13 LEU HD21 H 9.758 -6.202 -0.740 1.00 . A A . 13 LEU HD21 1 1 4 1017 1 1 13 LEU HD22 H 10.733 -5.069 -1.716 1.00 . A A . 13 LEU HD22 1 1 4 1018 1 1 13 LEU HD23 H 10.764 -4.980 0.053 1.00 . A A . 13 LEU HD23 1 1 4 1019 1 1 13 LEU HG H 8.177 -4.487 -0.073 1.00 . A A . 13 LEU HG 1 1 4 1020 1 1 13 LEU N N 8.661 -1.781 1.628 1.00 . A A . 13 LEU N 1 1 4 1021 1 1 13 LEU O O 12.200 -2.158 1.401 1.00 . A A . 13 LEU O 1 1 4 1022 1 1 14 NH2 HN1 H 12.088 0.062 0.845 1.00 . A A . 14 NH2 HN1 1 1 4 1023 1 1 14 NH2 HN2 H 10.299 0.020 0.418 1.00 . A A . 14 NH2 HN2 1 1 4 1024 1 1 14 NH2 N N 11.224 -0.399 0.553 1.00 . A A . 14 NH2 N 1 1 5 1025 1 1 1 PHE C C -10.613 4.735 0.278 1.00 . A A . 1 PHE C 1 1 5 1026 1 1 1 PHE CA C -10.569 6.251 0.652 1.00 . A A . 1 PHE CA 1 1 5 1027 1 1 1 PHE CB C -9.421 6.595 1.651 1.00 . A A . 1 PHE CB 1 1 5 1028 1 1 1 PHE CD1 C -10.134 6.319 4.080 1.00 . A A . 1 PHE CD1 1 1 5 1029 1 1 1 PHE CD2 C -8.769 4.583 3.100 1.00 . A A . 1 PHE CD2 1 1 5 1030 1 1 1 PHE CE1 C -10.220 5.582 5.255 1.00 . A A . 1 PHE CE1 1 1 5 1031 1 1 1 PHE CE2 C -8.858 3.847 4.275 1.00 . A A . 1 PHE CE2 1 1 5 1032 1 1 1 PHE CG C -9.415 5.822 2.986 1.00 . A A . 1 PHE CG 1 1 5 1033 1 1 1 PHE CZ C -9.584 4.348 5.356 1.00 . A A . 1 PHE CZ 1 1 5 1034 1 1 1 PHE H1 H -11.910 7.733 1.389 1.00 . A A . 1 PHE H1 1 1 5 1035 1 1 1 PHE H2 H -12.659 6.496 0.560 1.00 . A A . 1 PHE H2 1 1 5 1036 1 1 1 PHE H3 H -12.086 6.229 2.060 1.00 . A A . 1 PHE H3 1 1 5 1037 1 1 1 PHE HA H -10.367 6.797 -0.294 1.00 . A A . 1 PHE HA 1 1 5 1038 1 1 1 PHE HB2 H -8.451 6.412 1.146 1.00 . A A . 1 PHE HB2 1 1 5 1039 1 1 1 PHE HB3 H -9.391 7.685 1.844 1.00 . A A . 1 PHE HB3 1 1 5 1040 1 1 1 PHE HD1 H -10.639 7.272 4.021 1.00 . A A . 1 PHE HD1 1 1 5 1041 1 1 1 PHE HD2 H -8.217 4.165 2.267 1.00 . A A . 1 PHE HD2 1 1 5 1042 1 1 1 PHE HE1 H -10.785 5.966 6.095 1.00 . A A . 1 PHE HE1 1 1 5 1043 1 1 1 PHE HE2 H -8.374 2.883 4.355 1.00 . A A . 1 PHE HE2 1 1 5 1044 1 1 1 PHE HZ H -9.653 3.778 6.271 1.00 . A A . 1 PHE HZ 1 1 5 1045 1 1 1 PHE N N -11.877 6.729 1.186 1.00 . A A . 1 PHE N 1 1 5 1046 1 1 1 PHE O O -11.489 4.005 0.751 1.00 . A A . 1 PHE O 1 1 5 1047 1 1 2 VAL C C -8.261 2.198 0.010 1.00 . A A . 2 VAL C 1 1 5 1048 1 1 2 VAL CA C -9.482 2.811 -0.795 1.00 . A A . 2 VAL CA 1 1 5 1049 1 1 2 VAL CB C -9.454 2.574 -2.338 1.00 . A A . 2 VAL CB 1 1 5 1050 1 1 2 VAL CG1 C -8.112 2.935 -2.995 1.00 . A A . 2 VAL CG1 1 1 5 1051 1 1 2 VAL CG2 C -9.811 1.122 -2.723 1.00 . A A . 2 VAL CG2 1 1 5 1052 1 1 2 VAL H H -8.887 4.908 -0.768 1.00 . A A . 2 VAL H 1 1 5 1053 1 1 2 VAL HA H -10.404 2.302 -0.461 1.00 . A A . 2 VAL HA 1 1 5 1054 1 1 2 VAL HB H -10.239 3.210 -2.796 1.00 . A A . 2 VAL HB 1 1 5 1055 1 1 2 VAL HG11 H -7.333 2.192 -2.736 1.00 . A A . 2 VAL HG11 1 1 5 1056 1 1 2 VAL HG12 H -8.181 2.968 -4.096 1.00 . A A . 2 VAL HG12 1 1 5 1057 1 1 2 VAL HG13 H -7.724 3.914 -2.657 1.00 . A A . 2 VAL HG13 1 1 5 1058 1 1 2 VAL HG21 H -10.787 0.814 -2.301 1.00 . A A . 2 VAL HG21 1 1 5 1059 1 1 2 VAL HG22 H -9.894 0.984 -3.816 1.00 . A A . 2 VAL HG22 1 1 5 1060 1 1 2 VAL HG23 H -9.057 0.395 -2.362 1.00 . A A . 2 VAL HG23 1 1 5 1061 1 1 2 VAL N N -9.646 4.265 -0.521 1.00 . A A . 2 VAL N 1 1 5 1062 1 1 2 VAL O O -7.195 2.826 0.070 1.00 . A A . 2 VAL O 1 1 5 1063 1 1 3 . C C -6.258 -0.333 0.116 1.00 . A A . 3 PH6 C 1 1 5 1064 1 1 3 . C1 C -10.378 -1.587 2.342 1.00 . A A . 3 PH6 C1 1 1 5 1065 1 1 3 . C2 C -11.695 -1.878 1.552 1.00 . A A . 3 PH6 C2 1 1 5 1066 1 1 3 . C3 C -12.823 -2.374 2.482 1.00 . A A . 3 PH6 C3 1 1 5 1067 1 1 3 . C4 C -13.066 -1.377 3.641 1.00 . A A . 3 PH6 C4 1 1 5 1068 1 1 3 . C5 C -11.776 -1.140 4.460 1.00 . A A . 3 PH6 C5 1 1 5 1069 1 1 3 . C6 C -10.657 -0.621 3.546 1.00 . A A . 3 PH6 C6 1 1 5 1070 1 1 3 . CA C -7.207 0.250 1.195 1.00 . A A . 3 PH6 CA 1 1 5 1071 1 1 3 . CB C -7.885 -0.843 2.037 1.00 . A A . 3 PH6 CB 1 1 5 1072 1 1 3 . CD C -9.614 0.236 0.699 1.00 . A A . 3 PH6 CD 1 1 5 1073 1 1 3 . CG C -9.264 -1.081 1.392 1.00 . A A . 3 PH6 CG 1 1 5 1074 1 1 3 . H1 H -10.026 -2.553 2.756 1.00 . A A . 3 PH6 H1 1 1 5 1075 1 1 3 . H21 H -11.514 -2.615 0.746 1.00 . A A . 3 PH6 H21 1 1 5 1076 1 1 3 . H22 H -12.048 -0.966 1.032 1.00 . A A . 3 PH6 H22 1 1 5 1077 1 1 3 . H31 H -13.753 -2.531 1.904 1.00 . A A . 3 PH6 H31 1 1 5 1078 1 1 3 . H32 H -12.551 -3.368 2.888 1.00 . A A . 3 PH6 H32 1 1 5 1079 1 1 3 . H41 H -13.870 -1.744 4.304 1.00 . A A . 3 PH6 H41 1 1 5 1080 1 1 3 . H42 H -13.429 -0.413 3.234 1.00 . A A . 3 PH6 H42 1 1 5 1081 1 1 3 . H51 H -11.954 -0.416 5.277 1.00 . A A . 3 PH6 H51 1 1 5 1082 1 1 3 . H52 H -11.446 -2.078 4.948 1.00 . A A . 3 PH6 H52 1 1 5 1083 1 1 3 . H61 H -9.752 -0.459 4.155 1.00 . A A . 3 PH6 H61 1 1 5 1084 1 1 3 . H62 H -10.949 0.385 3.197 1.00 . A A . 3 PH6 H62 1 1 5 1085 1 1 3 . HA H -6.637 0.909 1.881 1.00 . A A . 3 PH6 HA 1 1 5 1086 1 1 3 . HB2 H -7.957 -0.491 3.078 1.00 . A A . 3 PH6 HB2 1 1 5 1087 1 1 3 . HB3 H -7.301 -1.784 2.089 1.00 . A A . 3 PH6 HB3 1 1 5 1088 1 1 3 . HD2 H -10.347 0.842 1.260 1.00 . A A . 3 PH6 HD2 1 1 5 1089 1 1 3 . HD3 H -10.074 0.024 -0.282 1.00 . A A . 3 PH6 HD3 1 1 5 1090 1 1 3 . HG2 H -9.111 -1.835 0.590 1.00 . A A . 3 PH6 HG2 1 1 5 1091 1 1 3 . N N -8.357 0.976 0.601 1.00 . A A . 3 PH6 N 1 1 5 1092 1 1 3 . O O -6.418 -1.453 -0.383 1.00 . A A . 3 PH6 O 1 1 5 1093 1 1 4 TRP C C -3.154 -0.885 -0.453 1.00 . A A . 4 TRP C 1 1 5 1094 1 1 4 TRP CA C -4.208 0.001 -1.183 1.00 . A A . 4 TRP CA 1 1 5 1095 1 1 4 TRP CB C -3.601 1.227 -1.898 1.00 . A A . 4 TRP CB 1 1 5 1096 1 1 4 TRP CD1 C -4.983 1.061 -4.126 1.00 . A A . 4 TRP CD1 1 1 5 1097 1 1 4 TRP CD2 C -4.533 3.133 -3.441 1.00 . A A . 4 TRP CD2 1 1 5 1098 1 1 4 TRP CE2 C -5.244 3.173 -4.668 1.00 . A A . 4 TRP CE2 1 1 5 1099 1 1 4 TRP CE3 C -4.143 4.337 -2.797 1.00 . A A . 4 TRP CE3 1 1 5 1100 1 1 4 TRP CG C -4.375 1.805 -3.087 1.00 . A A . 4 TRP CG 1 1 5 1101 1 1 4 TRP CH2 C -5.211 5.588 -4.594 1.00 . A A . 4 TRP CH2 1 1 5 1102 1 1 4 TRP CZ2 C -5.603 4.413 -5.238 1.00 . A A . 4 TRP CZ2 1 1 5 1103 1 1 4 TRP CZ3 C -4.484 5.551 -3.396 1.00 . A A . 4 TRP CZ3 1 1 5 1104 1 1 4 TRP H H -5.307 1.408 0.142 1.00 . A A . 4 TRP H 1 1 5 1105 1 1 4 TRP HA H -4.686 -0.622 -1.968 1.00 . A A . 4 TRP HA 1 1 5 1106 1 1 4 TRP HB2 H -3.361 2.015 -1.158 1.00 . A A . 4 TRP HB2 1 1 5 1107 1 1 4 TRP HB3 H -2.634 0.911 -2.317 1.00 . A A . 4 TRP HB3 1 1 5 1108 1 1 4 TRP HD1 H -5.029 -0.020 -4.158 1.00 . A A . 4 TRP HD1 1 1 5 1109 1 1 4 TRP HE1 H -6.113 1.621 -5.916 1.00 . A A . 4 TRP HE1 1 1 5 1110 1 1 4 TRP HE3 H -3.614 4.321 -1.855 1.00 . A A . 4 TRP HE3 1 1 5 1111 1 1 4 TRP HH2 H -5.488 6.541 -5.024 1.00 . A A . 4 TRP HH2 1 1 5 1112 1 1 4 TRP HZ2 H -6.189 4.444 -6.146 1.00 . A A . 4 TRP HZ2 1 1 5 1113 1 1 4 TRP HZ3 H -4.201 6.479 -2.921 1.00 . A A . 4 TRP HZ3 1 1 5 1114 1 1 4 TRP N N -5.243 0.456 -0.236 1.00 . A A . 4 TRP N 1 1 5 1115 1 1 4 TRP NE1 N -5.534 1.895 -5.112 1.00 . A A . 4 TRP NE1 1 1 5 1116 1 1 4 TRP O O -2.239 -0.401 0.218 1.00 . A A . 4 TRP O 1 1 5 1117 1 1 5 PHE C C -0.931 -3.179 -0.678 1.00 . A A . 5 PHE C 1 1 5 1118 1 1 5 PHE CA C -2.361 -3.211 -0.040 1.00 . A A . 5 PHE CA 1 1 5 1119 1 1 5 PHE CB C -2.973 -4.640 -0.154 1.00 . A A . 5 PHE CB 1 1 5 1120 1 1 5 PHE CD1 C -5.399 -5.170 -0.682 1.00 . A A . 5 PHE CD1 1 1 5 1121 1 1 5 PHE CD2 C -4.831 -4.594 1.594 1.00 . A A . 5 PHE CD2 1 1 5 1122 1 1 5 PHE CE1 C -6.734 -5.290 -0.320 1.00 . A A . 5 PHE CE1 1 1 5 1123 1 1 5 PHE CE2 C -6.167 -4.710 1.954 1.00 . A A . 5 PHE CE2 1 1 5 1124 1 1 5 PHE CG C -4.435 -4.828 0.272 1.00 . A A . 5 PHE CG 1 1 5 1125 1 1 5 PHE CZ C -7.122 -5.062 1.001 1.00 . A A . 5 PHE CZ 1 1 5 1126 1 1 5 PHE H H -4.219 -2.471 -0.987 1.00 . A A . 5 PHE H 1 1 5 1127 1 1 5 PHE HA H -2.247 -2.982 1.040 1.00 . A A . 5 PHE HA 1 1 5 1128 1 1 5 PHE HB2 H -2.849 -5.002 -1.194 1.00 . A A . 5 PHE HB2 1 1 5 1129 1 1 5 PHE HB3 H -2.348 -5.337 0.436 1.00 . A A . 5 PHE HB3 1 1 5 1130 1 1 5 PHE HD1 H -5.116 -5.338 -1.714 1.00 . A A . 5 PHE HD1 1 1 5 1131 1 1 5 PHE HD2 H -4.099 -4.305 2.336 1.00 . A A . 5 PHE HD2 1 1 5 1132 1 1 5 PHE HE1 H -7.471 -5.566 -1.061 1.00 . A A . 5 PHE HE1 1 1 5 1133 1 1 5 PHE HE2 H -6.468 -4.529 2.977 1.00 . A A . 5 PHE HE2 1 1 5 1134 1 1 5 PHE HZ H -8.157 -5.167 1.283 1.00 . A A . 5 PHE HZ 1 1 5 1135 1 1 5 PHE N N -3.292 -2.202 -0.633 1.00 . A A . 5 PHE N 1 1 5 1136 1 1 5 PHE O O 0.073 -3.036 0.022 1.00 . A A . 5 PHE O 1 1 5 1137 1 1 6 SER C C 1.064 -1.538 -2.463 1.00 . A A . 6 SER C 1 1 5 1138 1 1 6 SER CA C 0.330 -2.867 -2.826 1.00 . A A . 6 SER CA 1 1 5 1139 1 1 6 SER CB C -0.036 -2.890 -4.337 1.00 . A A . 6 SER CB 1 1 5 1140 1 1 6 SER H H -1.801 -3.226 -2.453 1.00 . A A . 6 SER H 1 1 5 1141 1 1 6 SER HA H 1.074 -3.671 -2.655 1.00 . A A . 6 SER HA 1 1 5 1142 1 1 6 SER HB2 H 0.704 -2.305 -4.921 1.00 . A A . 6 SER HB2 1 1 5 1143 1 1 6 SER HB3 H 0.066 -3.923 -4.721 1.00 . A A . 6 SER HB3 1 1 5 1144 1 1 6 SER HG H -1.625 -2.797 -5.461 1.00 . A A . 6 SER HG 1 1 5 1145 1 1 6 SER N N -0.870 -3.228 -2.023 1.00 . A A . 6 SER N 1 1 5 1146 1 1 6 SER O O 2.290 -1.541 -2.370 1.00 . A A . 6 SER O 1 1 5 1147 1 1 6 SER OG O -1.347 -2.387 -4.633 1.00 . A A . 6 SER OG 1 1 5 1148 1 1 7 LYS C C 1.794 0.603 -0.287 1.00 . A A . 7 LYS C 1 1 5 1149 1 1 7 LYS CA C 0.957 0.793 -1.586 1.00 . A A . 7 LYS CA 1 1 5 1150 1 1 7 LYS CB C -0.142 1.858 -1.310 1.00 . A A . 7 LYS CB 1 1 5 1151 1 1 7 LYS CD C 0.518 3.673 -2.983 1.00 . A A . 7 LYS CD 1 1 5 1152 1 1 7 LYS CE C 0.590 3.847 -4.514 1.00 . A A . 7 LYS CE 1 1 5 1153 1 1 7 LYS CG C -0.567 2.664 -2.548 1.00 . A A . 7 LYS CG 1 1 5 1154 1 1 7 LYS H H -0.657 -0.620 -2.215 1.00 . A A . 7 LYS H 1 1 5 1155 1 1 7 LYS HA H 1.684 1.186 -2.322 1.00 . A A . 7 LYS HA 1 1 5 1156 1 1 7 LYS HB2 H -1.010 1.364 -0.841 1.00 . A A . 7 LYS HB2 1 1 5 1157 1 1 7 LYS HB3 H 0.175 2.568 -0.519 1.00 . A A . 7 LYS HB3 1 1 5 1158 1 1 7 LYS HD2 H 0.364 4.613 -2.414 1.00 . A A . 7 LYS HD2 1 1 5 1159 1 1 7 LYS HD3 H 1.519 3.346 -2.631 1.00 . A A . 7 LYS HD3 1 1 5 1160 1 1 7 LYS HE2 H 1.574 3.468 -4.883 1.00 . A A . 7 LYS HE2 1 1 5 1161 1 1 7 LYS HE3 H -0.145 3.194 -5.043 1.00 . A A . 7 LYS HE3 1 1 5 1162 1 1 7 LYS HG2 H -0.838 1.947 -3.351 1.00 . A A . 7 LYS HG2 1 1 5 1163 1 1 7 LYS HG3 H -1.508 3.204 -2.328 1.00 . A A . 7 LYS HG3 1 1 5 1164 1 1 7 LYS HZ1 H 0.413 5.462 -5.878 1.00 . A A . 7 LYS HZ1 1 1 5 1165 1 1 7 LYS HZ2 H -0.533 5.625 -4.545 1.00 . A A . 7 LYS HZ2 1 1 5 1166 1 1 7 LYS HZ3 H 1.083 5.898 -4.441 1.00 . A A . 7 LYS HZ3 1 1 5 1167 1 1 7 LYS N N 0.349 -0.424 -2.214 1.00 . A A . 7 LYS N 1 1 5 1168 1 1 7 LYS NZ N 0.381 5.277 -4.865 1.00 . A A . 7 LYS NZ 1 1 5 1169 1 1 7 LYS O O 2.846 1.232 -0.142 1.00 . A A . 7 LYS O 1 1 5 1170 1 1 8 PHE C C 3.417 -1.455 1.440 1.00 . A A . 8 PHE C 1 1 5 1171 1 1 8 PHE CA C 2.109 -0.695 1.793 1.00 . A A . 8 PHE CA 1 1 5 1172 1 1 8 PHE CB C 1.197 -1.525 2.749 1.00 . A A . 8 PHE CB 1 1 5 1173 1 1 8 PHE CD1 C -0.288 -0.784 4.652 1.00 . A A . 8 PHE CD1 1 1 5 1174 1 1 8 PHE CD2 C 2.089 -0.405 4.854 1.00 . A A . 8 PHE CD2 1 1 5 1175 1 1 8 PHE CE1 C -0.481 -0.192 5.895 1.00 . A A . 8 PHE CE1 1 1 5 1176 1 1 8 PHE CE2 C 1.895 0.197 6.086 1.00 . A A . 8 PHE CE2 1 1 5 1177 1 1 8 PHE CG C 0.998 -0.887 4.119 1.00 . A A . 8 PHE CG 1 1 5 1178 1 1 8 PHE CZ C 0.609 0.303 6.611 1.00 . A A . 8 PHE CZ 1 1 5 1179 1 1 8 PHE H H 0.505 -0.787 0.304 1.00 . A A . 8 PHE H 1 1 5 1180 1 1 8 PHE HA H 2.448 0.232 2.298 1.00 . A A . 8 PHE HA 1 1 5 1181 1 1 8 PHE HB2 H 0.220 -1.761 2.279 1.00 . A A . 8 PHE HB2 1 1 5 1182 1 1 8 PHE HB3 H 1.614 -2.537 2.923 1.00 . A A . 8 PHE HB3 1 1 5 1183 1 1 8 PHE HD1 H -1.136 -1.170 4.103 1.00 . A A . 8 PHE HD1 1 1 5 1184 1 1 8 PHE HD2 H 3.092 -0.474 4.450 1.00 . A A . 8 PHE HD2 1 1 5 1185 1 1 8 PHE HE1 H -1.478 -0.127 6.306 1.00 . A A . 8 PHE HE1 1 1 5 1186 1 1 8 PHE HE2 H 2.747 0.577 6.633 1.00 . A A . 8 PHE HE2 1 1 5 1187 1 1 8 PHE HZ H 0.461 0.760 7.576 1.00 . A A . 8 PHE HZ 1 1 5 1188 1 1 8 PHE N N 1.313 -0.243 0.631 1.00 . A A . 8 PHE N 1 1 5 1189 1 1 8 PHE O O 4.503 -0.962 1.749 1.00 . A A . 8 PHE O 1 1 5 1190 1 1 9 LEU C C 5.473 -2.452 -0.652 1.00 . A A . 9 LEU C 1 1 5 1191 1 1 9 LEU CA C 4.476 -3.317 0.171 1.00 . A A . 9 LEU CA 1 1 5 1192 1 1 9 LEU CB C 3.976 -4.553 -0.636 1.00 . A A . 9 LEU CB 1 1 5 1193 1 1 9 LEU CD1 C 3.785 -6.126 1.394 1.00 . A A . 9 LEU CD1 1 1 5 1194 1 1 9 LEU CD2 C 3.854 -7.038 -0.990 1.00 . A A . 9 LEU CD2 1 1 5 1195 1 1 9 LEU CG C 4.340 -5.932 -0.035 1.00 . A A . 9 LEU CG 1 1 5 1196 1 1 9 LEU H H 2.339 -2.821 0.465 1.00 . A A . 9 LEU H 1 1 5 1197 1 1 9 LEU HA H 5.067 -3.675 1.040 1.00 . A A . 9 LEU HA 1 1 5 1198 1 1 9 LEU HB2 H 2.882 -4.510 -0.806 1.00 . A A . 9 LEU HB2 1 1 5 1199 1 1 9 LEU HB3 H 4.387 -4.519 -1.666 1.00 . A A . 9 LEU HB3 1 1 5 1200 1 1 9 LEU HD11 H 4.606 -6.081 2.136 1.00 . A A . 9 LEU HD11 1 1 5 1201 1 1 9 LEU HD12 H 3.059 -5.347 1.690 1.00 . A A . 9 LEU HD12 1 1 5 1202 1 1 9 LEU HD13 H 3.284 -7.098 1.550 1.00 . A A . 9 LEU HD13 1 1 5 1203 1 1 9 LEU HD21 H 2.865 -6.818 -1.434 1.00 . A A . 9 LEU HD21 1 1 5 1204 1 1 9 LEU HD22 H 4.562 -7.176 -1.830 1.00 . A A . 9 LEU HD22 1 1 5 1205 1 1 9 LEU HD23 H 3.769 -8.022 -0.494 1.00 . A A . 9 LEU HD23 1 1 5 1206 1 1 9 LEU HG H 5.447 -6.011 0.020 1.00 . A A . 9 LEU HG 1 1 5 1207 1 1 9 LEU N N 3.304 -2.593 0.734 1.00 . A A . 9 LEU N 1 1 5 1208 1 1 9 LEU O O 6.663 -2.574 -0.421 1.00 . A A . 9 LEU O 1 1 5 1209 1 1 10 GLY C C 6.746 0.404 -1.332 1.00 . A A . 10 GLY C 1 1 5 1210 1 1 10 GLY CA C 5.884 -0.545 -2.204 1.00 . A A . 10 GLY CA 1 1 5 1211 1 1 10 GLY H H 3.980 -1.506 -1.536 1.00 . A A . 10 GLY H 1 1 5 1212 1 1 10 GLY HA2 H 6.560 -1.074 -2.900 1.00 . A A . 10 GLY HA2 1 1 5 1213 1 1 10 GLY HA3 H 5.252 0.088 -2.850 1.00 . A A . 10 GLY HA3 1 1 5 1214 1 1 10 GLY N N 5.011 -1.546 -1.528 1.00 . A A . 10 GLY N 1 1 5 1215 1 1 10 GLY O O 7.926 0.598 -1.614 1.00 . A A . 10 GLY O 1 1 5 1216 1 1 11 ARG C C 7.911 0.865 1.631 1.00 . A A . 11 ARG C 1 1 5 1217 1 1 11 ARG CA C 6.937 1.727 0.764 1.00 . A A . 11 ARG CA 1 1 5 1218 1 1 11 ARG CB C 5.908 2.451 1.673 1.00 . A A . 11 ARG CB 1 1 5 1219 1 1 11 ARG CD C 6.082 4.977 1.379 1.00 . A A . 11 ARG CD 1 1 5 1220 1 1 11 ARG CG C 5.255 3.715 1.070 1.00 . A A . 11 ARG CG 1 1 5 1221 1 1 11 ARG CZ C 5.463 7.285 2.112 1.00 . A A . 11 ARG CZ 1 1 5 1222 1 1 11 ARG H H 5.225 0.616 -0.093 1.00 . A A . 11 ARG H 1 1 5 1223 1 1 11 ARG HA H 7.577 2.483 0.265 1.00 . A A . 11 ARG HA 1 1 5 1224 1 1 11 ARG HB2 H 5.124 1.730 1.984 1.00 . A A . 11 ARG HB2 1 1 5 1225 1 1 11 ARG HB3 H 6.387 2.703 2.642 1.00 . A A . 11 ARG HB3 1 1 5 1226 1 1 11 ARG HD2 H 6.627 4.840 2.338 1.00 . A A . 11 ARG HD2 1 1 5 1227 1 1 11 ARG HD3 H 6.876 5.111 0.613 1.00 . A A . 11 ARG HD3 1 1 5 1228 1 1 11 ARG HE H 4.247 6.131 1.050 1.00 . A A . 11 ARG HE 1 1 5 1229 1 1 11 ARG HG2 H 5.122 3.594 -0.026 1.00 . A A . 11 ARG HG2 1 1 5 1230 1 1 11 ARG HG3 H 4.226 3.776 1.474 1.00 . A A . 11 ARG HG3 1 1 5 1231 1 1 11 ARG HH11 H 6.736 8.377 3.228 1.00 . A A . 11 ARG HH11 1 1 5 1232 1 1 11 ARG HH12 H 7.251 6.716 2.668 1.00 . A A . 11 ARG HH12 1 1 5 1233 1 1 11 ARG HH21 H 4.803 9.063 2.663 1.00 . A A . 11 ARG HH21 1 1 5 1234 1 1 11 ARG HH22 H 3.683 8.022 1.670 1.00 . A A . 11 ARG HH22 1 1 5 1235 1 1 11 ARG N N 6.162 0.992 -0.281 1.00 . A A . 11 ARG N 1 1 5 1236 1 1 11 ARG NE N 5.188 6.166 1.451 1.00 . A A . 11 ARG NE 1 1 5 1237 1 1 11 ARG NH1 N 6.592 7.497 2.729 1.00 . A A . 11 ARG NH1 1 1 5 1238 1 1 11 ARG NH2 N 4.564 8.213 2.148 1.00 . A A . 11 ARG NH2 1 1 5 1239 1 1 11 ARG O O 9.095 1.193 1.725 1.00 . A A . 11 ARG O 1 1 5 1240 1 1 12 ILE C C 9.346 -1.913 2.186 1.00 . A A . 12 ILE C 1 1 5 1241 1 1 12 ILE CA C 8.244 -1.180 3.043 1.00 . A A . 12 ILE CA 1 1 5 1242 1 1 12 ILE CB C 7.339 -2.206 3.825 1.00 . A A . 12 ILE CB 1 1 5 1243 1 1 12 ILE CD1 C 5.194 -2.614 5.263 1.00 . A A . 12 ILE CD1 1 1 5 1244 1 1 12 ILE CG1 C 6.145 -1.586 4.619 1.00 . A A . 12 ILE CG1 1 1 5 1245 1 1 12 ILE CG2 C 8.184 -3.124 4.763 1.00 . A A . 12 ILE CG2 1 1 5 1246 1 1 12 ILE H H 6.427 -0.409 2.036 1.00 . A A . 12 ILE H 1 1 5 1247 1 1 12 ILE HA H 8.801 -0.600 3.806 1.00 . A A . 12 ILE HA 1 1 5 1248 1 1 12 ILE HB H 6.883 -2.855 3.048 1.00 . A A . 12 ILE HB 1 1 5 1249 1 1 12 ILE HD11 H 5.536 -2.888 6.278 1.00 . A A . 12 ILE HD11 1 1 5 1250 1 1 12 ILE HD12 H 4.165 -2.233 5.367 1.00 . A A . 12 ILE HD12 1 1 5 1251 1 1 12 ILE HD13 H 5.133 -3.551 4.677 1.00 . A A . 12 ILE HD13 1 1 5 1252 1 1 12 ILE HG12 H 6.517 -0.872 5.378 1.00 . A A . 12 ILE HG12 1 1 5 1253 1 1 12 ILE HG13 H 5.536 -0.965 3.940 1.00 . A A . 12 ILE HG13 1 1 5 1254 1 1 12 ILE HG21 H 7.830 -3.151 5.809 1.00 . A A . 12 ILE HG21 1 1 5 1255 1 1 12 ILE HG22 H 8.180 -4.168 4.399 1.00 . A A . 12 ILE HG22 1 1 5 1256 1 1 12 ILE HG23 H 9.248 -2.829 4.828 1.00 . A A . 12 ILE HG23 1 1 5 1257 1 1 12 ILE N N 7.406 -0.203 2.271 1.00 . A A . 12 ILE N 1 1 5 1258 1 1 12 ILE O O 10.435 -2.168 2.699 1.00 . A A . 12 ILE O 1 1 5 1259 1 1 13 LEU C C 11.479 -1.909 -0.086 1.00 . A A . 13 LEU C 1 1 5 1260 1 1 13 LEU CA C 10.107 -2.666 -0.090 1.00 . A A . 13 LEU CA 1 1 5 1261 1 1 13 LEU CB C 9.464 -2.632 -1.521 1.00 . A A . 13 LEU CB 1 1 5 1262 1 1 13 LEU CD1 C 8.046 -3.728 -3.321 1.00 . A A . 13 LEU CD1 1 1 5 1263 1 1 13 LEU CD2 C 10.036 -4.959 -2.374 1.00 . A A . 13 LEU CD2 1 1 5 1264 1 1 13 LEU CG C 8.899 -3.970 -2.059 1.00 . A A . 13 LEU CG 1 1 5 1265 1 1 13 LEU H H 8.139 -1.950 0.593 1.00 . A A . 13 LEU H 1 1 5 1266 1 1 13 LEU HA H 10.343 -3.714 0.179 1.00 . A A . 13 LEU HA 1 1 5 1267 1 1 13 LEU HB2 H 8.683 -1.851 -1.567 1.00 . A A . 13 LEU HB2 1 1 5 1268 1 1 13 LEU HB3 H 10.194 -2.261 -2.266 1.00 . A A . 13 LEU HB3 1 1 5 1269 1 1 13 LEU HD11 H 7.916 -4.641 -3.931 1.00 . A A . 13 LEU HD11 1 1 5 1270 1 1 13 LEU HD12 H 7.031 -3.379 -3.060 1.00 . A A . 13 LEU HD12 1 1 5 1271 1 1 13 LEU HD13 H 8.491 -2.962 -3.985 1.00 . A A . 13 LEU HD13 1 1 5 1272 1 1 13 LEU HD21 H 9.697 -6.005 -2.267 1.00 . A A . 13 LEU HD21 1 1 5 1273 1 1 13 LEU HD22 H 10.433 -4.840 -3.399 1.00 . A A . 13 LEU HD22 1 1 5 1274 1 1 13 LEU HD23 H 10.903 -4.845 -1.696 1.00 . A A . 13 LEU HD23 1 1 5 1275 1 1 13 LEU HG H 8.246 -4.421 -1.282 1.00 . A A . 13 LEU HG 1 1 5 1276 1 1 13 LEU N N 9.087 -2.208 0.898 1.00 . A A . 13 LEU N 1 1 5 1277 1 1 13 LEU O O 12.547 -2.511 -0.055 1.00 . A A . 13 LEU O 1 1 5 1278 1 1 14 NH2 HN1 H 12.431 -0.236 0.157 1.00 . A A . 14 NH2 HN1 1 1 5 1279 1 1 14 NH2 HN2 H 10.600 -0.169 0.110 1.00 . A A . 14 NH2 HN2 1 1 5 1280 1 1 14 NH2 N N 11.510 -0.590 -0.105 1.00 . A A . 14 NH2 N 1 1 6 1281 1 1 1 PHE C C -9.728 5.047 0.999 1.00 . A A . 1 PHE C 1 1 6 1282 1 1 1 PHE CA C -9.675 6.220 2.024 1.00 . A A . 1 PHE CA 1 1 6 1283 1 1 1 PHE CB C -9.221 5.739 3.436 1.00 . A A . 1 PHE CB 1 1 6 1284 1 1 1 PHE CD1 C -10.177 3.422 3.985 1.00 . A A . 1 PHE CD1 1 1 6 1285 1 1 1 PHE CD2 C -11.155 5.368 5.033 1.00 . A A . 1 PHE CD2 1 1 6 1286 1 1 1 PHE CE1 C -11.129 2.616 4.600 1.00 . A A . 1 PHE CE1 1 1 6 1287 1 1 1 PHE CE2 C -12.108 4.561 5.641 1.00 . A A . 1 PHE CE2 1 1 6 1288 1 1 1 PHE CG C -10.187 4.809 4.192 1.00 . A A . 1 PHE CG 1 1 6 1289 1 1 1 PHE CZ C -12.095 3.184 5.428 1.00 . A A . 1 PHE CZ 1 1 6 1290 1 1 1 PHE H1 H -10.984 7.742 2.732 1.00 . A A . 1 PHE H1 1 1 6 1291 1 1 1 PHE H2 H -11.315 7.246 1.171 1.00 . A A . 1 PHE H2 1 1 6 1292 1 1 1 PHE H3 H -11.697 6.283 2.430 1.00 . A A . 1 PHE H3 1 1 6 1293 1 1 1 PHE HA H -8.910 6.933 1.653 1.00 . A A . 1 PHE HA 1 1 6 1294 1 1 1 PHE HB2 H -8.243 5.222 3.343 1.00 . A A . 1 PHE HB2 1 1 6 1295 1 1 1 PHE HB3 H -8.971 6.614 4.066 1.00 . A A . 1 PHE HB3 1 1 6 1296 1 1 1 PHE HD1 H -9.449 2.963 3.327 1.00 . A A . 1 PHE HD1 1 1 6 1297 1 1 1 PHE HD2 H -11.184 6.435 5.209 1.00 . A A . 1 PHE HD2 1 1 6 1298 1 1 1 PHE HE1 H -11.127 1.546 4.436 1.00 . A A . 1 PHE HE1 1 1 6 1299 1 1 1 PHE HE2 H -12.861 5.001 6.282 1.00 . A A . 1 PHE HE2 1 1 6 1300 1 1 1 PHE HZ H -12.834 2.560 5.908 1.00 . A A . 1 PHE HZ 1 1 6 1301 1 1 1 PHE N N -10.979 6.941 2.093 1.00 . A A . 1 PHE N 1 1 6 1302 1 1 1 PHE O O -10.799 4.481 0.760 1.00 . A A . 1 PHE O 1 1 6 1303 1 1 2 VAL C C -7.733 2.297 0.256 1.00 . A A . 2 VAL C 1 1 6 1304 1 1 2 VAL CA C -8.484 3.488 -0.465 1.00 . A A . 2 VAL CA 1 1 6 1305 1 1 2 VAL CB C -7.900 3.906 -1.852 1.00 . A A . 2 VAL CB 1 1 6 1306 1 1 2 VAL CG1 C -6.381 4.129 -1.837 1.00 . A A . 2 VAL CG1 1 1 6 1307 1 1 2 VAL CG2 C -8.230 2.892 -2.969 1.00 . A A . 2 VAL CG2 1 1 6 1308 1 1 2 VAL H H -7.715 5.095 0.786 1.00 . A A . 2 VAL H 1 1 6 1309 1 1 2 VAL HA H -9.513 3.157 -0.696 1.00 . A A . 2 VAL HA 1 1 6 1310 1 1 2 VAL HB H -8.381 4.859 -2.152 1.00 . A A . 2 VAL HB 1 1 6 1311 1 1 2 VAL HG11 H -6.049 4.741 -0.979 1.00 . A A . 2 VAL HG11 1 1 6 1312 1 1 2 VAL HG12 H -5.846 3.164 -1.746 1.00 . A A . 2 VAL HG12 1 1 6 1313 1 1 2 VAL HG13 H -6.021 4.621 -2.757 1.00 . A A . 2 VAL HG13 1 1 6 1314 1 1 2 VAL HG21 H -7.774 1.899 -2.781 1.00 . A A . 2 VAL HG21 1 1 6 1315 1 1 2 VAL HG22 H -9.321 2.733 -3.068 1.00 . A A . 2 VAL HG22 1 1 6 1316 1 1 2 VAL HG23 H -7.875 3.224 -3.961 1.00 . A A . 2 VAL HG23 1 1 6 1317 1 1 2 VAL N N -8.578 4.679 0.422 1.00 . A A . 2 VAL N 1 1 6 1318 1 1 2 VAL O O -6.705 2.532 0.908 1.00 . A A . 2 VAL O 1 1 6 1319 1 1 3 . C C -6.202 -0.499 -0.292 1.00 . A A . 3 PH6 C 1 1 6 1320 1 1 3 . C1 C -10.964 -1.389 -0.238 1.00 . A A . 3 PH6 C1 1 1 6 1321 1 1 3 . C2 C -11.903 -0.967 -1.415 1.00 . A A . 3 PH6 C2 1 1 6 1322 1 1 3 . C3 C -13.345 -1.480 -1.209 1.00 . A A . 3 PH6 C3 1 1 6 1323 1 1 3 . C4 C -13.908 -1.022 0.159 1.00 . A A . 3 PH6 C4 1 1 6 1324 1 1 3 . C5 C -13.011 -1.498 1.323 1.00 . A A . 3 PH6 C5 1 1 6 1325 1 1 3 . C6 C -11.583 -0.970 1.141 1.00 . A A . 3 PH6 C6 1 1 6 1326 1 1 3 . CA C -7.419 -0.164 0.610 1.00 . A A . 3 PH6 CA 1 1 6 1327 1 1 3 . CB C -8.492 -1.259 0.607 1.00 . A A . 3 PH6 CB 1 1 6 1328 1 1 3 . CD C -9.448 0.673 -0.504 1.00 . A A . 3 PH6 CD 1 1 6 1329 1 1 3 . CG C -9.528 -0.851 -0.455 1.00 . A A . 3 PH6 CG 1 1 6 1330 1 1 3 . H1 H -10.895 -2.495 -0.256 1.00 . A A . 3 PH6 H1 1 1 6 1331 1 1 3 . H21 H -11.505 -1.328 -2.383 1.00 . A A . 3 PH6 H21 1 1 6 1332 1 1 3 . H22 H -11.935 0.136 -1.512 1.00 . A A . 3 PH6 H22 1 1 6 1333 1 1 3 . H31 H -13.997 -1.131 -2.032 1.00 . A A . 3 PH6 H31 1 1 6 1334 1 1 3 . H32 H -13.352 -2.586 -1.269 1.00 . A A . 3 PH6 H32 1 1 6 1335 1 1 3 . H41 H -14.937 -1.398 0.299 1.00 . A A . 3 PH6 H41 1 1 6 1336 1 1 3 . H42 H -13.986 0.084 0.179 1.00 . A A . 3 PH6 H42 1 1 6 1337 1 1 3 . H51 H -13.410 -1.156 2.297 1.00 . A A . 3 PH6 H51 1 1 6 1338 1 1 3 . H52 H -12.989 -2.604 1.374 1.00 . A A . 3 PH6 H52 1 1 6 1339 1 1 3 . H61 H -10.968 -1.324 1.985 1.00 . A A . 3 PH6 H61 1 1 6 1340 1 1 3 . H62 H -11.612 0.129 1.252 1.00 . A A . 3 PH6 H62 1 1 6 1341 1 1 3 . HA H -7.081 -0.021 1.657 1.00 . A A . 3 PH6 HA 1 1 6 1342 1 1 3 . HB2 H -8.917 -1.339 1.619 1.00 . A A . 3 PH6 HB2 1 1 6 1343 1 1 3 . HB3 H -8.077 -2.256 0.394 1.00 . A A . 3 PH6 HB3 1 1 6 1344 1 1 3 . HD2 H -10.269 1.167 0.046 1.00 . A A . 3 PH6 HD2 1 1 6 1345 1 1 3 . HD3 H -9.525 1.013 -1.550 1.00 . A A . 3 PH6 HD3 1 1 6 1346 1 1 3 . HG2 H -9.151 -1.227 -1.431 1.00 . A A . 3 PH6 HG2 1 1 6 1347 1 1 3 . N N -8.173 1.018 0.127 1.00 . A A . 3 PH6 N 1 1 6 1348 1 1 3 . O O -6.272 -1.239 -1.280 1.00 . A A . 3 PH6 O 1 1 6 1349 1 1 4 TRP C C -3.155 -1.500 -0.175 1.00 . A A . 4 TRP C 1 1 6 1350 1 1 4 TRP CA C -3.800 -0.165 -0.641 1.00 . A A . 4 TRP CA 1 1 6 1351 1 1 4 TRP CB C -2.888 1.066 -0.447 1.00 . A A . 4 TRP CB 1 1 6 1352 1 1 4 TRP CD1 C -3.368 2.148 -2.818 1.00 . A A . 4 TRP CD1 1 1 6 1353 1 1 4 TRP CD2 C -2.937 3.572 -1.164 1.00 . A A . 4 TRP CD2 1 1 6 1354 1 1 4 TRP CE2 C -3.116 4.283 -2.378 1.00 . A A . 4 TRP CE2 1 1 6 1355 1 1 4 TRP CE3 C -2.700 4.268 0.050 1.00 . A A . 4 TRP CE3 1 1 6 1356 1 1 4 TRP CG C -3.094 2.228 -1.429 1.00 . A A . 4 TRP CG 1 1 6 1357 1 1 4 TRP CH2 C -2.884 6.366 -1.175 1.00 . A A . 4 TRP CH2 1 1 6 1358 1 1 4 TRP CZ2 C -3.105 5.694 -2.380 1.00 . A A . 4 TRP CZ2 1 1 6 1359 1 1 4 TRP CZ3 C -2.677 5.663 0.020 1.00 . A A . 4 TRP CZ3 1 1 6 1360 1 1 4 TRP H H -5.177 0.787 0.810 1.00 . A A . 4 TRP H 1 1 6 1361 1 1 4 TRP HA H -4.019 -0.253 -1.726 1.00 . A A . 4 TRP HA 1 1 6 1362 1 1 4 TRP HB2 H -2.979 1.444 0.588 1.00 . A A . 4 TRP HB2 1 1 6 1363 1 1 4 TRP HB3 H -1.837 0.740 -0.507 1.00 . A A . 4 TRP HB3 1 1 6 1364 1 1 4 TRP HD1 H -3.514 1.224 -3.361 1.00 . A A . 4 TRP HD1 1 1 6 1365 1 1 4 TRP HE1 H -3.637 3.649 -4.391 1.00 . A A . 4 TRP HE1 1 1 6 1366 1 1 4 TRP HE3 H -2.571 3.737 0.984 1.00 . A A . 4 TRP HE3 1 1 6 1367 1 1 4 TRP HH2 H -2.895 7.446 -1.161 1.00 . A A . 4 TRP HH2 1 1 6 1368 1 1 4 TRP HZ2 H -3.300 6.239 -3.292 1.00 . A A . 4 TRP HZ2 1 1 6 1369 1 1 4 TRP HZ3 H -2.519 6.208 0.940 1.00 . A A . 4 TRP HZ3 1 1 6 1370 1 1 4 TRP N N -5.064 0.086 0.070 1.00 . A A . 4 TRP N 1 1 6 1371 1 1 4 TRP NE1 N -3.369 3.415 -3.427 1.00 . A A . 4 TRP NE1 1 1 6 1372 1 1 4 TRP O O -2.682 -1.643 0.952 1.00 . A A . 4 TRP O 1 1 6 1373 1 1 5 PHE C C -1.076 -3.883 -1.233 1.00 . A A . 5 PHE C 1 1 6 1374 1 1 5 PHE CA C -2.577 -3.826 -0.809 1.00 . A A . 5 PHE CA 1 1 6 1375 1 1 5 PHE CB C -3.453 -4.922 -1.498 1.00 . A A . 5 PHE CB 1 1 6 1376 1 1 5 PHE CD1 C -5.571 -4.807 -0.078 1.00 . A A . 5 PHE CD1 1 1 6 1377 1 1 5 PHE CD2 C -5.788 -4.674 -2.481 1.00 . A A . 5 PHE CD2 1 1 6 1378 1 1 5 PHE CE1 C -6.946 -4.663 0.051 1.00 . A A . 5 PHE CE1 1 1 6 1379 1 1 5 PHE CE2 C -7.163 -4.524 -2.349 1.00 . A A . 5 PHE CE2 1 1 6 1380 1 1 5 PHE CG C -4.981 -4.823 -1.346 1.00 . A A . 5 PHE CG 1 1 6 1381 1 1 5 PHE CZ C -7.746 -4.525 -1.083 1.00 . A A . 5 PHE CZ 1 1 6 1382 1 1 5 PHE H H -3.803 -2.316 -1.849 1.00 . A A . 5 PHE H 1 1 6 1383 1 1 5 PHE HA H -2.610 -4.033 0.282 1.00 . A A . 5 PHE HA 1 1 6 1384 1 1 5 PHE HB2 H -3.200 -4.973 -2.574 1.00 . A A . 5 PHE HB2 1 1 6 1385 1 1 5 PHE HB3 H -3.136 -5.910 -1.115 1.00 . A A . 5 PHE HB3 1 1 6 1386 1 1 5 PHE HD1 H -4.957 -4.872 0.810 1.00 . A A . 5 PHE HD1 1 1 6 1387 1 1 5 PHE HD2 H -5.352 -4.663 -3.470 1.00 . A A . 5 PHE HD2 1 1 6 1388 1 1 5 PHE HE1 H -7.393 -4.625 1.035 1.00 . A A . 5 PHE HE1 1 1 6 1389 1 1 5 PHE HE2 H -7.782 -4.402 -3.227 1.00 . A A . 5 PHE HE2 1 1 6 1390 1 1 5 PHE HZ H -8.812 -4.393 -0.981 1.00 . A A . 5 PHE HZ 1 1 6 1391 1 1 5 PHE N N -3.132 -2.469 -1.088 1.00 . A A . 5 PHE N 1 1 6 1392 1 1 5 PHE O O -0.177 -4.038 -0.403 1.00 . A A . 5 PHE O 1 1 6 1393 1 1 6 SER C C 1.241 -2.168 -2.848 1.00 . A A . 6 SER C 1 1 6 1394 1 1 6 SER CA C 0.549 -3.545 -3.093 1.00 . A A . 6 SER CA 1 1 6 1395 1 1 6 SER CB C 0.489 -3.873 -4.605 1.00 . A A . 6 SER CB 1 1 6 1396 1 1 6 SER H H -1.667 -3.444 -3.068 1.00 . A A . 6 SER H 1 1 6 1397 1 1 6 SER HA H 1.182 -4.313 -2.601 1.00 . A A . 6 SER HA 1 1 6 1398 1 1 6 SER HB2 H -0.403 -4.474 -4.880 1.00 . A A . 6 SER HB2 1 1 6 1399 1 1 6 SER HB3 H 0.413 -2.953 -5.218 1.00 . A A . 6 SER HB3 1 1 6 1400 1 1 6 SER HG H 1.951 -4.328 -5.829 1.00 . A A . 6 SER HG 1 1 6 1401 1 1 6 SER N N -0.821 -3.664 -2.535 1.00 . A A . 6 SER N 1 1 6 1402 1 1 6 SER O O 2.424 -2.122 -2.524 1.00 . A A . 6 SER O 1 1 6 1403 1 1 6 SER OG O 1.665 -4.600 -4.952 1.00 . A A . 6 SER OG 1 1 6 1404 1 1 7 LYS C C 1.658 0.507 -1.202 1.00 . A A . 7 LYS C 1 1 6 1405 1 1 7 LYS CA C 1.042 0.320 -2.636 1.00 . A A . 7 LYS CA 1 1 6 1406 1 1 7 LYS CB C -0.112 1.333 -2.877 1.00 . A A . 7 LYS CB 1 1 6 1407 1 1 7 LYS CD C 0.839 3.734 -2.799 1.00 . A A . 7 LYS CD 1 1 6 1408 1 1 7 LYS CE C 2.373 3.809 -2.902 1.00 . A A . 7 LYS CE 1 1 6 1409 1 1 7 LYS CG C 0.215 2.616 -3.668 1.00 . A A . 7 LYS CG 1 1 6 1410 1 1 7 LYS H H -0.466 -1.228 -3.185 1.00 . A A . 7 LYS H 1 1 6 1411 1 1 7 LYS HA H 1.857 0.528 -3.356 1.00 . A A . 7 LYS HA 1 1 6 1412 1 1 7 LYS HB2 H -0.983 0.856 -3.368 1.00 . A A . 7 LYS HB2 1 1 6 1413 1 1 7 LYS HB3 H -0.531 1.636 -1.902 1.00 . A A . 7 LYS HB3 1 1 6 1414 1 1 7 LYS HD2 H 0.344 4.700 -3.032 1.00 . A A . 7 LYS HD2 1 1 6 1415 1 1 7 LYS HD3 H 0.551 3.588 -1.735 1.00 . A A . 7 LYS HD3 1 1 6 1416 1 1 7 LYS HE2 H 2.801 4.063 -1.905 1.00 . A A . 7 LYS HE2 1 1 6 1417 1 1 7 LYS HE3 H 2.806 2.802 -3.116 1.00 . A A . 7 LYS HE3 1 1 6 1418 1 1 7 LYS HG2 H 0.812 2.372 -4.569 1.00 . A A . 7 LYS HG2 1 1 6 1419 1 1 7 LYS HG3 H -0.739 2.997 -4.086 1.00 . A A . 7 LYS HG3 1 1 6 1420 1 1 7 LYS HZ1 H 3.755 4.898 -4.116 1.00 . A A . 7 LYS HZ1 1 1 6 1421 1 1 7 LYS HZ2 H 2.325 4.591 -4.860 1.00 . A A . 7 LYS HZ2 1 1 6 1422 1 1 7 LYS HZ3 H 2.401 5.755 -3.725 1.00 . A A . 7 LYS HZ3 1 1 6 1423 1 1 7 LYS N N 0.519 -1.037 -2.981 1.00 . A A . 7 LYS N 1 1 6 1424 1 1 7 LYS NZ N 2.744 4.810 -3.944 1.00 . A A . 7 LYS NZ 1 1 6 1425 1 1 7 LYS O O 2.670 1.198 -1.052 1.00 . A A . 7 LYS O 1 1 6 1426 1 1 8 PHE C C 2.993 -1.084 1.160 1.00 . A A . 8 PHE C 1 1 6 1427 1 1 8 PHE CA C 1.656 -0.294 1.164 1.00 . A A . 8 PHE CA 1 1 6 1428 1 1 8 PHE CB C 0.611 -0.957 2.114 1.00 . A A . 8 PHE CB 1 1 6 1429 1 1 8 PHE CD1 C -1.230 0.619 2.828 1.00 . A A . 8 PHE CD1 1 1 6 1430 1 1 8 PHE CD2 C 0.703 0.402 4.249 1.00 . A A . 8 PHE CD2 1 1 6 1431 1 1 8 PHE CE1 C -1.777 1.547 3.702 1.00 . A A . 8 PHE CE1 1 1 6 1432 1 1 8 PHE CE2 C 0.158 1.324 5.131 1.00 . A A . 8 PHE CE2 1 1 6 1433 1 1 8 PHE CG C 0.004 0.035 3.094 1.00 . A A . 8 PHE CG 1 1 6 1434 1 1 8 PHE CZ C -1.083 1.898 4.862 1.00 . A A . 8 PHE CZ 1 1 6 1435 1 1 8 PHE H H 0.316 -0.764 -0.499 1.00 . A A . 8 PHE H 1 1 6 1436 1 1 8 PHE HA H 1.924 0.712 1.547 1.00 . A A . 8 PHE HA 1 1 6 1437 1 1 8 PHE HB2 H -0.175 -1.507 1.556 1.00 . A A . 8 PHE HB2 1 1 6 1438 1 1 8 PHE HB3 H 1.068 -1.774 2.709 1.00 . A A . 8 PHE HB3 1 1 6 1439 1 1 8 PHE HD1 H -1.764 0.329 1.943 1.00 . A A . 8 PHE HD1 1 1 6 1440 1 1 8 PHE HD2 H 1.670 -0.026 4.455 1.00 . A A . 8 PHE HD2 1 1 6 1441 1 1 8 PHE HE1 H -2.744 1.978 3.491 1.00 . A A . 8 PHE HE1 1 1 6 1442 1 1 8 PHE HE2 H 0.699 1.583 6.032 1.00 . A A . 8 PHE HE2 1 1 6 1443 1 1 8 PHE HZ H -1.514 2.599 5.558 1.00 . A A . 8 PHE HZ 1 1 6 1444 1 1 8 PHE N N 1.038 -0.109 -0.178 1.00 . A A . 8 PHE N 1 1 6 1445 1 1 8 PHE O O 4.030 -0.502 1.488 1.00 . A A . 8 PHE O 1 1 6 1446 1 1 9 LEU C C 5.323 -2.464 -0.339 1.00 . A A . 9 LEU C 1 1 6 1447 1 1 9 LEU CA C 4.209 -3.156 0.501 1.00 . A A . 9 LEU CA 1 1 6 1448 1 1 9 LEU CB C 3.820 -4.544 -0.091 1.00 . A A . 9 LEU CB 1 1 6 1449 1 1 9 LEU CD1 C 3.237 -5.743 2.085 1.00 . A A . 9 LEU CD1 1 1 6 1450 1 1 9 LEU CD2 C 3.930 -7.060 0.042 1.00 . A A . 9 LEU CD2 1 1 6 1451 1 1 9 LEU CG C 4.124 -5.751 0.824 1.00 . A A . 9 LEU CG 1 1 6 1452 1 1 9 LEU H H 2.060 -2.687 0.397 1.00 . A A . 9 LEU H 1 1 6 1453 1 1 9 LEU HA H 4.664 -3.309 1.502 1.00 . A A . 9 LEU HA 1 1 6 1454 1 1 9 LEU HB2 H 2.760 -4.584 -0.413 1.00 . A A . 9 LEU HB2 1 1 6 1455 1 1 9 LEU HB3 H 4.366 -4.699 -1.043 1.00 . A A . 9 LEU HB3 1 1 6 1456 1 1 9 LEU HD11 H 3.629 -5.049 2.852 1.00 . A A . 9 LEU HD11 1 1 6 1457 1 1 9 LEU HD12 H 2.201 -5.425 1.863 1.00 . A A . 9 LEU HD12 1 1 6 1458 1 1 9 LEU HD13 H 3.171 -6.736 2.566 1.00 . A A . 9 LEU HD13 1 1 6 1459 1 1 9 LEU HD21 H 2.870 -7.372 -0.008 1.00 . A A . 9 LEU HD21 1 1 6 1460 1 1 9 LEU HD22 H 4.295 -6.992 -1.001 1.00 . A A . 9 LEU HD22 1 1 6 1461 1 1 9 LEU HD23 H 4.495 -7.889 0.509 1.00 . A A . 9 LEU HD23 1 1 6 1462 1 1 9 LEU HG H 5.191 -5.705 1.133 1.00 . A A . 9 LEU HG 1 1 6 1463 1 1 9 LEU N N 2.975 -2.356 0.724 1.00 . A A . 9 LEU N 1 1 6 1464 1 1 9 LEU O O 6.466 -2.492 0.083 1.00 . A A . 9 LEU O 1 1 6 1465 1 1 10 GLY C C 6.683 0.208 -1.469 1.00 . A A . 10 GLY C 1 1 6 1466 1 1 10 GLY CA C 5.966 -0.948 -2.211 1.00 . A A . 10 GLY CA 1 1 6 1467 1 1 10 GLY H H 3.984 -1.819 -1.642 1.00 . A A . 10 GLY H 1 1 6 1468 1 1 10 GLY HA2 H 6.736 -1.608 -2.651 1.00 . A A . 10 GLY HA2 1 1 6 1469 1 1 10 GLY HA3 H 5.442 -0.509 -3.077 1.00 . A A . 10 GLY HA3 1 1 6 1470 1 1 10 GLY N N 4.997 -1.785 -1.450 1.00 . A A . 10 GLY N 1 1 6 1471 1 1 10 GLY O O 7.892 0.378 -1.614 1.00 . A A . 10 GLY O 1 1 6 1472 1 1 11 ARG C C 7.411 1.328 1.454 1.00 . A A . 11 ARG C 1 1 6 1473 1 1 11 ARG CA C 6.569 1.948 0.297 1.00 . A A . 11 ARG CA 1 1 6 1474 1 1 11 ARG CB C 5.447 2.871 0.863 1.00 . A A . 11 ARG CB 1 1 6 1475 1 1 11 ARG CD C 6.465 5.137 0.275 1.00 . A A . 11 ARG CD 1 1 6 1476 1 1 11 ARG CG C 5.261 4.185 0.081 1.00 . A A . 11 ARG CG 1 1 6 1477 1 1 11 ARG CZ C 6.818 7.540 0.854 1.00 . A A . 11 ARG CZ 1 1 6 1478 1 1 11 ARG H H 5.010 0.610 -0.521 1.00 . A A . 11 ARG H 1 1 6 1479 1 1 11 ARG HA H 7.304 2.561 -0.264 1.00 . A A . 11 ARG HA 1 1 6 1480 1 1 11 ARG HB2 H 4.490 2.314 0.947 1.00 . A A . 11 ARG HB2 1 1 6 1481 1 1 11 ARG HB3 H 5.660 3.134 1.921 1.00 . A A . 11 ARG HB3 1 1 6 1482 1 1 11 ARG HD2 H 7.162 4.747 1.053 1.00 . A A . 11 ARG HD2 1 1 6 1483 1 1 11 ARG HD3 H 7.074 5.150 -0.655 1.00 . A A . 11 ARG HD3 1 1 6 1484 1 1 11 ARG HE H 5.042 6.681 0.926 1.00 . A A . 11 ARG HE 1 1 6 1485 1 1 11 ARG HG2 H 5.134 3.948 -0.993 1.00 . A A . 11 ARG HG2 1 1 6 1486 1 1 11 ARG HG3 H 4.299 4.634 0.399 1.00 . A A . 11 ARG HG3 1 1 6 1487 1 1 11 ARG HH11 H 8.668 8.329 0.875 1.00 . A A . 11 ARG HH11 1 1 6 1488 1 1 11 ARG HH12 H 8.470 6.570 0.432 1.00 . A A . 11 ARG HH12 1 1 6 1489 1 1 11 ARG HH21 H 6.928 9.441 1.390 1.00 . A A . 11 ARG HH21 1 1 6 1490 1 1 11 ARG HH22 H 5.281 8.666 1.394 1.00 . A A . 11 ARG HH22 1 1 6 1491 1 1 11 ARG N N 5.948 1.001 -0.676 1.00 . A A . 11 ARG N 1 1 6 1492 1 1 11 ARG NE N 6.014 6.503 0.656 1.00 . A A . 11 ARG NE 1 1 6 1493 1 1 11 ARG NH1 N 8.111 7.494 0.682 1.00 . A A . 11 ARG NH1 1 1 6 1494 1 1 11 ARG NH2 N 6.290 8.657 1.238 1.00 . A A . 11 ARG NH2 1 1 6 1495 1 1 11 ARG O O 8.566 1.717 1.639 1.00 . A A . 11 ARG O 1 1 6 1496 1 1 12 ILE C C 8.756 -1.208 2.807 1.00 . A A . 12 ILE C 1 1 6 1497 1 1 12 ILE CA C 7.540 -0.342 3.313 1.00 . A A . 12 ILE CA 1 1 6 1498 1 1 12 ILE CB C 6.530 -1.198 4.164 1.00 . A A . 12 ILE CB 1 1 6 1499 1 1 12 ILE CD1 C 4.196 -1.340 5.337 1.00 . A A . 12 ILE CD1 1 1 6 1500 1 1 12 ILE CG1 C 5.245 -0.450 4.639 1.00 . A A . 12 ILE CG1 1 1 6 1501 1 1 12 ILE CG2 C 7.233 -1.857 5.394 1.00 . A A . 12 ILE CG2 1 1 6 1502 1 1 12 ILE H H 5.884 0.126 1.919 1.00 . A A . 12 ILE H 1 1 6 1503 1 1 12 ILE HA H 7.980 0.410 3.999 1.00 . A A . 12 ILE HA 1 1 6 1504 1 1 12 ILE HB H 6.185 -2.015 3.496 1.00 . A A . 12 ILE HB 1 1 6 1505 1 1 12 ILE HD11 H 4.541 -2.383 5.471 1.00 . A A . 12 ILE HD11 1 1 6 1506 1 1 12 ILE HD12 H 3.955 -0.955 6.345 1.00 . A A . 12 ILE HD12 1 1 6 1507 1 1 12 ILE HD13 H 3.258 -1.411 4.764 1.00 . A A . 12 ILE HD13 1 1 6 1508 1 1 12 ILE HG12 H 5.529 0.400 5.289 1.00 . A A . 12 ILE HG12 1 1 6 1509 1 1 12 ILE HG13 H 4.744 0.030 3.780 1.00 . A A . 12 ILE HG13 1 1 6 1510 1 1 12 ILE HG21 H 7.280 -2.955 5.278 1.00 . A A . 12 ILE HG21 1 1 6 1511 1 1 12 ILE HG22 H 8.276 -1.520 5.543 1.00 . A A . 12 ILE HG22 1 1 6 1512 1 1 12 ILE HG23 H 6.729 -1.662 6.359 1.00 . A A . 12 ILE HG23 1 1 6 1513 1 1 12 ILE N N 6.821 0.411 2.233 1.00 . A A . 12 ILE N 1 1 6 1514 1 1 12 ILE O O 9.761 -1.301 3.511 1.00 . A A . 12 ILE O 1 1 6 1515 1 1 13 LEU C C 11.196 -1.653 0.922 1.00 . A A . 13 LEU C 1 1 6 1516 1 1 13 LEU CA C 9.835 -2.429 0.892 1.00 . A A . 13 LEU CA 1 1 6 1517 1 1 13 LEU CB C 9.404 -2.724 -0.588 1.00 . A A . 13 LEU CB 1 1 6 1518 1 1 13 LEU CD1 C 8.271 -4.225 -2.305 1.00 . A A . 13 LEU CD1 1 1 6 1519 1 1 13 LEU CD2 C 10.076 -5.174 -0.776 1.00 . A A . 13 LEU CD2 1 1 6 1520 1 1 13 LEU CG C 8.918 -4.161 -0.901 1.00 . A A . 13 LEU CG 1 1 6 1521 1 1 13 LEU H H 7.786 -1.652 1.115 1.00 . A A . 13 LEU H 1 1 6 1522 1 1 13 LEU HA H 10.022 -3.387 1.415 1.00 . A A . 13 LEU HA 1 1 6 1523 1 1 13 LEU HB2 H 8.639 -1.994 -0.914 1.00 . A A . 13 LEU HB2 1 1 6 1524 1 1 13 LEU HB3 H 10.236 -2.505 -1.285 1.00 . A A . 13 LEU HB3 1 1 6 1525 1 1 13 LEU HD11 H 7.169 -4.179 -2.241 1.00 . A A . 13 LEU HD11 1 1 6 1526 1 1 13 LEU HD12 H 8.585 -3.390 -2.961 1.00 . A A . 13 LEU HD12 1 1 6 1527 1 1 13 LEU HD13 H 8.512 -5.153 -2.858 1.00 . A A . 13 LEU HD13 1 1 6 1528 1 1 13 LEU HD21 H 10.537 -5.433 -1.746 1.00 . A A . 13 LEU HD21 1 1 6 1529 1 1 13 LEU HD22 H 10.905 -4.807 -0.140 1.00 . A A . 13 LEU HD22 1 1 6 1530 1 1 13 LEU HD23 H 9.732 -6.116 -0.312 1.00 . A A . 13 LEU HD23 1 1 6 1531 1 1 13 LEU HG H 8.141 -4.437 -0.157 1.00 . A A . 13 LEU HG 1 1 6 1532 1 1 13 LEU N N 8.685 -1.791 1.596 1.00 . A A . 13 LEU N 1 1 6 1533 1 1 13 LEU O O 12.244 -2.202 1.243 1.00 . A A . 13 LEU O 1 1 6 1534 1 1 14 NH2 HN1 H 12.112 0.054 0.917 1.00 . A A . 14 NH2 HN1 1 1 6 1535 1 1 14 NH2 HN2 H 10.305 0.059 0.597 1.00 . A A . 14 NH2 HN2 1 1 6 1536 1 1 14 NH2 N N 11.236 -0.372 0.612 1.00 . A A . 14 NH2 N 1 1 7 1537 1 1 1 PHE C C -9.824 4.924 1.067 1.00 . A A . 1 PHE C 1 1 7 1538 1 1 1 PHE CA C -9.817 6.084 2.109 1.00 . A A . 1 PHE CA 1 1 7 1539 1 1 1 PHE CB C -9.493 5.594 3.552 1.00 . A A . 1 PHE CB 1 1 7 1540 1 1 1 PHE CD1 C -10.417 3.229 3.894 1.00 . A A . 1 PHE CD1 1 1 7 1541 1 1 1 PHE CD2 C -11.517 5.073 5.003 1.00 . A A . 1 PHE CD2 1 1 7 1542 1 1 1 PHE CE1 C -11.387 2.358 4.379 1.00 . A A . 1 PHE CE1 1 1 7 1543 1 1 1 PHE CE2 C -12.480 4.199 5.494 1.00 . A A . 1 PHE CE2 1 1 7 1544 1 1 1 PHE CG C -10.482 4.597 4.188 1.00 . A A . 1 PHE CG 1 1 7 1545 1 1 1 PHE CZ C -12.419 2.843 5.181 1.00 . A A . 1 PHE CZ 1 1 7 1546 1 1 1 PHE H1 H -11.151 7.632 2.701 1.00 . A A . 1 PHE H1 1 1 7 1547 1 1 1 PHE H2 H -11.364 7.127 1.124 1.00 . A A . 1 PHE H2 1 1 7 1548 1 1 1 PHE H3 H -11.864 6.180 2.355 1.00 . A A . 1 PHE H3 1 1 7 1549 1 1 1 PHE HA H -9.011 6.787 1.812 1.00 . A A . 1 PHE HA 1 1 7 1550 1 1 1 PHE HB2 H -8.487 5.127 3.554 1.00 . A A . 1 PHE HB2 1 1 7 1551 1 1 1 PHE HB3 H -9.357 6.467 4.220 1.00 . A A . 1 PHE HB3 1 1 7 1552 1 1 1 PHE HD1 H -9.638 2.834 3.253 1.00 . A A . 1 PHE HD1 1 1 7 1553 1 1 1 PHE HD2 H -11.586 6.122 5.253 1.00 . A A . 1 PHE HD2 1 1 7 1554 1 1 1 PHE HE1 H -11.350 1.306 4.129 1.00 . A A . 1 PHE HE1 1 1 7 1555 1 1 1 PHE HE2 H -13.280 4.570 6.121 1.00 . A A . 1 PHE HE2 1 1 7 1556 1 1 1 PHE HZ H -13.170 2.167 5.562 1.00 . A A . 1 PHE HZ 1 1 7 1557 1 1 1 PHE N N -11.110 6.823 2.072 1.00 . A A . 1 PHE N 1 1 7 1558 1 1 1 PHE O O -10.859 4.281 0.875 1.00 . A A . 1 PHE O 1 1 7 1559 1 1 2 VAL C C -7.728 2.311 0.245 1.00 . A A . 2 VAL C 1 1 7 1560 1 1 2 VAL CA C -8.554 3.458 -0.464 1.00 . A A . 2 VAL CA 1 1 7 1561 1 1 2 VAL CB C -8.026 3.892 -1.868 1.00 . A A . 2 VAL CB 1 1 7 1562 1 1 2 VAL CG1 C -6.524 4.192 -1.886 1.00 . A A . 2 VAL CG1 1 1 7 1563 1 1 2 VAL CG2 C -8.322 2.851 -2.970 1.00 . A A . 2 VAL CG2 1 1 7 1564 1 1 2 VAL H H -7.841 5.148 0.716 1.00 . A A . 2 VAL H 1 1 7 1565 1 1 2 VAL HA H -9.569 3.076 -0.671 1.00 . A A . 2 VAL HA 1 1 7 1566 1 1 2 VAL HB H -8.563 4.816 -2.165 1.00 . A A . 2 VAL HB 1 1 7 1567 1 1 2 VAL HG11 H -5.941 3.255 -1.797 1.00 . A A . 2 VAL HG11 1 1 7 1568 1 1 2 VAL HG12 H -6.210 4.692 -2.818 1.00 . A A . 2 VAL HG12 1 1 7 1569 1 1 2 VAL HG13 H -6.206 4.828 -1.039 1.00 . A A . 2 VAL HG13 1 1 7 1570 1 1 2 VAL HG21 H -7.999 3.189 -3.971 1.00 . A A . 2 VAL HG21 1 1 7 1571 1 1 2 VAL HG22 H -7.816 1.884 -2.779 1.00 . A A . 2 VAL HG22 1 1 7 1572 1 1 2 VAL HG23 H -9.405 2.637 -3.050 1.00 . A A . 2 VAL HG23 1 1 7 1573 1 1 2 VAL N N -8.686 4.649 0.420 1.00 . A A . 2 VAL N 1 1 7 1574 1 1 2 VAL O O -6.695 2.602 0.866 1.00 . A A . 2 VAL O 1 1 7 1575 1 1 3 . C C -6.080 -0.413 -0.315 1.00 . A A . 3 PH6 C 1 1 7 1576 1 1 3 . C1 C -10.782 -1.537 -0.154 1.00 . A A . 3 PH6 C1 1 1 7 1577 1 1 3 . C2 C -11.763 -1.175 -1.316 1.00 . A A . 3 PH6 C2 1 1 7 1578 1 1 3 . C3 C -13.173 -1.758 -1.079 1.00 . A A . 3 PH6 C3 1 1 7 1579 1 1 3 . C4 C -13.732 -1.316 0.296 1.00 . A A . 3 PH6 C4 1 1 7 1580 1 1 3 . C5 C -12.791 -1.736 1.447 1.00 . A A . 3 PH6 C5 1 1 7 1581 1 1 3 . C6 C -11.395 -1.138 1.233 1.00 . A A . 3 PH6 C6 1 1 7 1582 1 1 3 . CA C -7.289 -0.128 0.615 1.00 . A A . 3 PH6 CA 1 1 7 1583 1 1 3 . CB C -8.305 -1.274 0.643 1.00 . A A . 3 PH6 CB 1 1 7 1584 1 1 3 . CD C -9.378 0.598 -0.464 1.00 . A A . 3 PH6 CD 1 1 7 1585 1 1 3 . CG C -9.380 -0.928 -0.402 1.00 . A A . 3 PH6 CG 1 1 7 1586 1 1 3 . H1 H -10.657 -2.638 -0.165 1.00 . A A . 3 PH6 H1 1 1 7 1587 1 1 3 . H21 H -11.366 -1.525 -2.289 1.00 . A A . 3 PH6 H21 1 1 7 1588 1 1 3 . H22 H -11.853 -0.076 -1.422 1.00 . A A . 3 PH6 H22 1 1 7 1589 1 1 3 . H31 H -13.857 -1.449 -1.892 1.00 . A A . 3 PH6 H31 1 1 7 1590 1 1 3 . H32 H -13.125 -2.863 -1.130 1.00 . A A . 3 PH6 H32 1 1 7 1591 1 1 3 . H41 H -14.738 -1.743 0.459 1.00 . A A . 3 PH6 H41 1 1 7 1592 1 1 3 . H42 H -13.866 -0.216 0.309 1.00 . A A . 3 PH6 H42 1 1 7 1593 1 1 3 . H51 H -13.189 -1.406 2.425 1.00 . A A . 3 PH6 H51 1 1 7 1594 1 1 3 . H52 H -12.712 -2.839 1.505 1.00 . A A . 3 PH6 H52 1 1 7 1595 1 1 3 . H61 H -10.748 -1.454 2.068 1.00 . A A . 3 PH6 H61 1 1 7 1596 1 1 3 . H62 H -11.478 -0.041 1.336 1.00 . A A . 3 PH6 H62 1 1 7 1597 1 1 3 . HA H -6.936 0.041 1.653 1.00 . A A . 3 PH6 HA 1 1 7 1598 1 1 3 . HB2 H -8.706 -1.368 1.664 1.00 . A A . 3 PH6 HB2 1 1 7 1599 1 1 3 . HB3 H -7.841 -2.248 0.430 1.00 . A A . 3 PH6 HB3 1 1 7 1600 1 1 3 . HD2 H -10.212 1.054 0.100 1.00 . A A . 3 PH6 HD2 1 1 7 1601 1 1 3 . HD3 H -9.495 0.924 -1.511 1.00 . A A . 3 PH6 HD3 1 1 7 1602 1 1 3 . HG2 H -9.003 -1.293 -1.382 1.00 . A A . 3 PH6 HG2 1 1 7 1603 1 1 3 . N N -8.109 1.011 0.138 1.00 . A A . 3 PH6 N 1 1 7 1604 1 1 3 . O O -6.140 -1.157 -1.301 1.00 . A A . 3 PH6 O 1 1 7 1605 1 1 4 TRP C C -2.996 -1.286 -0.265 1.00 . A A . 4 TRP C 1 1 7 1606 1 1 4 TRP CA C -3.704 0.020 -0.721 1.00 . A A . 4 TRP CA 1 1 7 1607 1 1 4 TRP CB C -2.848 1.291 -0.537 1.00 . A A . 4 TRP CB 1 1 7 1608 1 1 4 TRP CD1 C -3.400 2.373 -2.882 1.00 . A A . 4 TRP CD1 1 1 7 1609 1 1 4 TRP CD2 C -3.090 3.808 -1.211 1.00 . A A . 4 TRP CD2 1 1 7 1610 1 1 4 TRP CE2 C -3.353 4.516 -2.412 1.00 . A A . 4 TRP CE2 1 1 7 1611 1 1 4 TRP CE3 C -2.823 4.512 -0.010 1.00 . A A . 4 TRP CE3 1 1 7 1612 1 1 4 TRP CG C -3.130 2.458 -1.494 1.00 . A A . 4 TRP CG 1 1 7 1613 1 1 4 TRP CH2 C -3.118 6.605 -1.218 1.00 . A A . 4 TRP CH2 1 1 7 1614 1 1 4 TRP CZ2 C -3.378 5.928 -2.412 1.00 . A A . 4 TRP CZ2 1 1 7 1615 1 1 4 TRP CZ3 C -2.838 5.906 -0.036 1.00 . A A . 4 TRP CZ3 1 1 7 1616 1 1 4 TRP H H -5.075 0.893 0.785 1.00 . A A . 4 TRP H 1 1 7 1617 1 1 4 TRP HA H -3.933 -0.082 -1.802 1.00 . A A . 4 TRP HA 1 1 7 1618 1 1 4 TRP HB2 H -2.912 1.634 0.513 1.00 . A A . 4 TRP HB2 1 1 7 1619 1 1 4 TRP HB3 H -1.794 1.002 -0.650 1.00 . A A . 4 TRP HB3 1 1 7 1620 1 1 4 TRP HD1 H -3.496 1.444 -3.428 1.00 . A A . 4 TRP HD1 1 1 7 1621 1 1 4 TRP HE1 H -3.845 3.851 -4.425 1.00 . A A . 4 TRP HE1 1 1 7 1622 1 1 4 TRP HE3 H -2.623 3.986 0.909 1.00 . A A . 4 TRP HE3 1 1 7 1623 1 1 4 TRP HH2 H -3.153 7.685 -1.198 1.00 . A A . 4 TRP HH2 1 1 7 1624 1 1 4 TRP HZ2 H -3.607 6.468 -3.319 1.00 . A A . 4 TRP HZ2 1 1 7 1625 1 1 4 TRP HZ3 H -2.648 6.452 0.878 1.00 . A A . 4 TRP HZ3 1 1 7 1626 1 1 4 TRP N N -4.960 0.219 0.020 1.00 . A A . 4 TRP N 1 1 7 1627 1 1 4 TRP NE1 N -3.511 3.643 -3.475 1.00 . A A . 4 TRP NE1 1 1 7 1628 1 1 4 TRP O O -2.379 -1.343 0.797 1.00 . A A . 4 TRP O 1 1 7 1629 1 1 5 PHE C C -1.009 -3.713 -1.217 1.00 . A A . 5 PHE C 1 1 7 1630 1 1 5 PHE CA C -2.512 -3.662 -0.791 1.00 . A A . 5 PHE CA 1 1 7 1631 1 1 5 PHE CB C -3.377 -4.789 -1.447 1.00 . A A . 5 PHE CB 1 1 7 1632 1 1 5 PHE CD1 C -5.479 -4.776 -0.009 1.00 . A A . 5 PHE CD1 1 1 7 1633 1 1 5 PHE CD2 C -5.723 -4.576 -2.404 1.00 . A A . 5 PHE CD2 1 1 7 1634 1 1 5 PHE CE1 C -6.858 -4.697 0.135 1.00 . A A . 5 PHE CE1 1 1 7 1635 1 1 5 PHE CE2 C -7.102 -4.488 -2.257 1.00 . A A . 5 PHE CE2 1 1 7 1636 1 1 5 PHE CG C -4.901 -4.727 -1.280 1.00 . A A . 5 PHE CG 1 1 7 1637 1 1 5 PHE CZ C -7.673 -4.554 -0.989 1.00 . A A . 5 PHE CZ 1 1 7 1638 1 1 5 PHE H H -3.876 -2.227 -1.755 1.00 . A A . 5 PHE H 1 1 7 1639 1 1 5 PHE HA H -2.544 -3.832 0.306 1.00 . A A . 5 PHE HA 1 1 7 1640 1 1 5 PHE HB2 H -3.145 -4.853 -2.527 1.00 . A A . 5 PHE HB2 1 1 7 1641 1 1 5 PHE HB3 H -3.029 -5.765 -1.058 1.00 . A A . 5 PHE HB3 1 1 7 1642 1 1 5 PHE HD1 H -4.854 -4.852 0.871 1.00 . A A . 5 PHE HD1 1 1 7 1643 1 1 5 PHE HD2 H -5.296 -4.524 -3.397 1.00 . A A . 5 PHE HD2 1 1 7 1644 1 1 5 PHE HE1 H -7.297 -4.710 1.123 1.00 . A A . 5 PHE HE1 1 1 7 1645 1 1 5 PHE HE2 H -7.731 -4.364 -3.128 1.00 . A A . 5 PHE HE2 1 1 7 1646 1 1 5 PHE HZ H -8.742 -4.469 -0.874 1.00 . A A . 5 PHE HZ 1 1 7 1647 1 1 5 PHE N N -3.086 -2.321 -1.105 1.00 . A A . 5 PHE N 1 1 7 1648 1 1 5 PHE O O -0.102 -3.661 -0.382 1.00 . A A . 5 PHE O 1 1 7 1649 1 1 6 SER C C 1.274 -2.178 -2.904 1.00 . A A . 6 SER C 1 1 7 1650 1 1 6 SER CA C 0.597 -3.566 -3.120 1.00 . A A . 6 SER CA 1 1 7 1651 1 1 6 SER CB C 0.487 -3.886 -4.626 1.00 . A A . 6 SER CB 1 1 7 1652 1 1 6 SER H H -1.617 -3.661 -3.103 1.00 . A A . 6 SER H 1 1 7 1653 1 1 6 SER HA H 1.250 -4.332 -2.653 1.00 . A A . 6 SER HA 1 1 7 1654 1 1 6 SER HB2 H -0.037 -4.849 -4.792 1.00 . A A . 6 SER HB2 1 1 7 1655 1 1 6 SER HB3 H -0.116 -3.122 -5.155 1.00 . A A . 6 SER HB3 1 1 7 1656 1 1 6 SER HG H 2.280 -3.177 -4.976 1.00 . A A . 6 SER HG 1 1 7 1657 1 1 6 SER N N -0.762 -3.701 -2.540 1.00 . A A . 6 SER N 1 1 7 1658 1 1 6 SER O O 2.464 -2.124 -2.610 1.00 . A A . 6 SER O 1 1 7 1659 1 1 6 SER OG O 1.784 -3.967 -5.217 1.00 . A A . 6 SER OG 1 1 7 1660 1 1 7 LYS C C 1.654 0.476 -1.228 1.00 . A A . 7 LYS C 1 1 7 1661 1 1 7 LYS CA C 1.044 0.299 -2.662 1.00 . A A . 7 LYS CA 1 1 7 1662 1 1 7 LYS CB C -0.115 1.314 -2.894 1.00 . A A . 7 LYS CB 1 1 7 1663 1 1 7 LYS CD C 0.915 3.631 -3.364 1.00 . A A . 7 LYS CD 1 1 7 1664 1 1 7 LYS CE C -0.064 4.728 -2.908 1.00 . A A . 7 LYS CE 1 1 7 1665 1 1 7 LYS CG C 0.173 2.400 -3.944 1.00 . A A . 7 LYS CG 1 1 7 1666 1 1 7 LYS H H -0.444 -1.264 -3.232 1.00 . A A . 7 LYS H 1 1 7 1667 1 1 7 LYS HA H 1.876 0.524 -3.359 1.00 . A A . 7 LYS HA 1 1 7 1668 1 1 7 LYS HB2 H -1.061 0.801 -3.161 1.00 . A A . 7 LYS HB2 1 1 7 1669 1 1 7 LYS HB3 H -0.377 1.818 -1.946 1.00 . A A . 7 LYS HB3 1 1 7 1670 1 1 7 LYS HD2 H 1.572 3.326 -2.520 1.00 . A A . 7 LYS HD2 1 1 7 1671 1 1 7 LYS HD3 H 1.610 3.998 -4.143 1.00 . A A . 7 LYS HD3 1 1 7 1672 1 1 7 LYS HE2 H -0.949 4.742 -3.583 1.00 . A A . 7 LYS HE2 1 1 7 1673 1 1 7 LYS HE3 H -0.485 4.469 -1.907 1.00 . A A . 7 LYS HE3 1 1 7 1674 1 1 7 LYS HG2 H 0.745 1.958 -4.785 1.00 . A A . 7 LYS HG2 1 1 7 1675 1 1 7 LYS HG3 H -0.784 2.693 -4.425 1.00 . A A . 7 LYS HG3 1 1 7 1676 1 1 7 LYS HZ1 H -0.092 6.822 -2.653 1.00 . A A . 7 LYS HZ1 1 1 7 1677 1 1 7 LYS HZ2 H 1.354 6.147 -2.251 1.00 . A A . 7 LYS HZ2 1 1 7 1678 1 1 7 LYS HZ3 H 0.920 6.324 -3.841 1.00 . A A . 7 LYS HZ3 1 1 7 1679 1 1 7 LYS N N 0.541 -1.057 -3.039 1.00 . A A . 7 LYS N 1 1 7 1680 1 1 7 LYS NZ N 0.568 6.071 -2.907 1.00 . A A . 7 LYS NZ 1 1 7 1681 1 1 7 LYS O O 2.642 1.198 -1.066 1.00 . A A . 7 LYS O 1 1 7 1682 1 1 8 PHE C C 2.984 -1.110 1.153 1.00 . A A . 8 PHE C 1 1 7 1683 1 1 8 PHE CA C 1.654 -0.320 1.137 1.00 . A A . 8 PHE CA 1 1 7 1684 1 1 8 PHE CB C 0.593 -0.960 2.082 1.00 . A A . 8 PHE CB 1 1 7 1685 1 1 8 PHE CD1 C -0.841 1.127 2.330 1.00 . A A . 8 PHE CD1 1 1 7 1686 1 1 8 PHE CD2 C -0.221 -0.088 4.317 1.00 . A A . 8 PHE CD2 1 1 7 1687 1 1 8 PHE CE1 C -1.536 2.046 3.101 1.00 . A A . 8 PHE CE1 1 1 7 1688 1 1 8 PHE CE2 C -0.909 0.838 5.091 1.00 . A A . 8 PHE CE2 1 1 7 1689 1 1 8 PHE CG C -0.186 0.047 2.925 1.00 . A A . 8 PHE CG 1 1 7 1690 1 1 8 PHE CZ C -1.571 1.903 4.486 1.00 . A A . 8 PHE CZ 1 1 7 1691 1 1 8 PHE H H 0.332 -0.829 -0.533 1.00 . A A . 8 PHE H 1 1 7 1692 1 1 8 PHE HA H 1.916 0.688 1.518 1.00 . A A . 8 PHE HA 1 1 7 1693 1 1 8 PHE HB2 H -0.103 -1.619 1.528 1.00 . A A . 8 PHE HB2 1 1 7 1694 1 1 8 PHE HB3 H 1.084 -1.688 2.759 1.00 . A A . 8 PHE HB3 1 1 7 1695 1 1 8 PHE HD1 H -0.779 1.258 1.263 1.00 . A A . 8 PHE HD1 1 1 7 1696 1 1 8 PHE HD2 H 0.293 -0.910 4.796 1.00 . A A . 8 PHE HD2 1 1 7 1697 1 1 8 PHE HE1 H -2.047 2.871 2.637 1.00 . A A . 8 PHE HE1 1 1 7 1698 1 1 8 PHE HE2 H -0.926 0.728 6.167 1.00 . A A . 8 PHE HE2 1 1 7 1699 1 1 8 PHE HZ H -2.111 2.618 5.084 1.00 . A A . 8 PHE HZ 1 1 7 1700 1 1 8 PHE N N 1.048 -0.164 -0.216 1.00 . A A . 8 PHE N 1 1 7 1701 1 1 8 PHE O O 4.019 -0.526 1.477 1.00 . A A . 8 PHE O 1 1 7 1702 1 1 9 LEU C C 5.318 -2.499 -0.309 1.00 . A A . 9 LEU C 1 1 7 1703 1 1 9 LEU CA C 4.194 -3.188 0.521 1.00 . A A . 9 LEU CA 1 1 7 1704 1 1 9 LEU CB C 3.800 -4.570 -0.079 1.00 . A A . 9 LEU CB 1 1 7 1705 1 1 9 LEU CD1 C 2.834 -6.624 1.086 1.00 . A A . 9 LEU CD1 1 1 7 1706 1 1 9 LEU CD2 C 5.235 -6.649 0.261 1.00 . A A . 9 LEU CD2 1 1 7 1707 1 1 9 LEU CG C 4.102 -5.787 0.841 1.00 . A A . 9 LEU CG 1 1 7 1708 1 1 9 LEU H H 2.045 -2.711 0.401 1.00 . A A . 9 LEU H 1 1 7 1709 1 1 9 LEU HA H 4.637 -3.330 1.528 1.00 . A A . 9 LEU HA 1 1 7 1710 1 1 9 LEU HB2 H 2.742 -4.574 -0.410 1.00 . A A . 9 LEU HB2 1 1 7 1711 1 1 9 LEU HB3 H 4.309 -4.714 -1.053 1.00 . A A . 9 LEU HB3 1 1 7 1712 1 1 9 LEU HD11 H 3.059 -7.678 1.331 1.00 . A A . 9 LEU HD11 1 1 7 1713 1 1 9 LEU HD12 H 2.252 -6.217 1.934 1.00 . A A . 9 LEU HD12 1 1 7 1714 1 1 9 LEU HD13 H 2.156 -6.642 0.212 1.00 . A A . 9 LEU HD13 1 1 7 1715 1 1 9 LEU HD21 H 5.618 -7.369 1.008 1.00 . A A . 9 LEU HD21 1 1 7 1716 1 1 9 LEU HD22 H 4.911 -7.232 -0.621 1.00 . A A . 9 LEU HD22 1 1 7 1717 1 1 9 LEU HD23 H 6.103 -6.037 -0.053 1.00 . A A . 9 LEU HD23 1 1 7 1718 1 1 9 LEU HG H 4.457 -5.449 1.837 1.00 . A A . 9 LEU HG 1 1 7 1719 1 1 9 LEU N N 2.961 -2.386 0.731 1.00 . A A . 9 LEU N 1 1 7 1720 1 1 9 LEU O O 6.453 -2.520 0.134 1.00 . A A . 9 LEU O 1 1 7 1721 1 1 10 GLY C C 6.699 0.169 -1.419 1.00 . A A . 10 GLY C 1 1 7 1722 1 1 10 GLY CA C 5.982 -0.979 -2.174 1.00 . A A . 10 GLY CA 1 1 7 1723 1 1 10 GLY H H 3.994 -1.839 -1.620 1.00 . A A . 10 GLY H 1 1 7 1724 1 1 10 GLY HA2 H 6.754 -1.631 -2.622 1.00 . A A . 10 GLY HA2 1 1 7 1725 1 1 10 GLY HA3 H 5.461 -0.528 -3.037 1.00 . A A . 10 GLY HA3 1 1 7 1726 1 1 10 GLY N N 5.007 -1.828 -1.430 1.00 . A A . 10 GLY N 1 1 7 1727 1 1 10 GLY O O 7.908 0.341 -1.557 1.00 . A A . 10 GLY O 1 1 7 1728 1 1 11 ARG C C 7.376 1.352 1.503 1.00 . A A . 11 ARG C 1 1 7 1729 1 1 11 ARG CA C 6.552 1.947 0.318 1.00 . A A . 11 ARG CA 1 1 7 1730 1 1 11 ARG CB C 5.398 2.837 0.863 1.00 . A A . 11 ARG CB 1 1 7 1731 1 1 11 ARG CD C 5.388 5.191 -0.060 1.00 . A A . 11 ARG CD 1 1 7 1732 1 1 11 ARG CG C 4.769 3.793 -0.178 1.00 . A A . 11 ARG CG 1 1 7 1733 1 1 11 ARG CZ C 5.624 7.202 -1.510 1.00 . A A . 11 ARG CZ 1 1 7 1734 1 1 11 ARG H H 5.006 0.585 -0.498 1.00 . A A . 11 ARG H 1 1 7 1735 1 1 11 ARG HA H 7.264 2.585 -0.243 1.00 . A A . 11 ARG HA 1 1 7 1736 1 1 11 ARG HB2 H 4.619 2.186 1.310 1.00 . A A . 11 ARG HB2 1 1 7 1737 1 1 11 ARG HB3 H 5.770 3.411 1.738 1.00 . A A . 11 ARG HB3 1 1 7 1738 1 1 11 ARG HD2 H 4.979 5.689 0.847 1.00 . A A . 11 ARG HD2 1 1 7 1739 1 1 11 ARG HD3 H 6.484 5.097 0.113 1.00 . A A . 11 ARG HD3 1 1 7 1740 1 1 11 ARG HE H 4.711 5.544 -2.108 1.00 . A A . 11 ARG HE 1 1 7 1741 1 1 11 ARG HG2 H 4.900 3.364 -1.194 1.00 . A A . 11 ARG HG2 1 1 7 1742 1 1 11 ARG HG3 H 3.673 3.826 -0.023 1.00 . A A . 11 ARG HG3 1 1 7 1743 1 1 11 ARG HH11 H 6.721 8.771 -0.884 1.00 . A A . 11 ARG HH11 1 1 7 1744 1 1 11 ARG HH12 H 6.529 7.331 0.219 1.00 . A A . 11 ARG HH12 1 1 7 1745 1 1 11 ARG HH21 H 5.813 8.682 -2.800 1.00 . A A . 11 ARG HH21 1 1 7 1746 1 1 11 ARG HH22 H 4.913 7.201 -3.358 1.00 . A A . 11 ARG HH22 1 1 7 1747 1 1 11 ARG N N 5.956 0.955 -0.629 1.00 . A A . 11 ARG N 1 1 7 1748 1 1 11 ARG NE N 5.131 5.988 -1.289 1.00 . A A . 11 ARG NE 1 1 7 1749 1 1 11 ARG NH1 N 6.330 7.861 -0.634 1.00 . A A . 11 ARG NH1 1 1 7 1750 1 1 11 ARG NH2 N 5.393 7.761 -2.654 1.00 . A A . 11 ARG NH2 1 1 7 1751 1 1 11 ARG O O 8.520 1.756 1.711 1.00 . A A . 11 ARG O 1 1 7 1752 1 1 12 ILE C C 8.712 -1.191 2.865 1.00 . A A . 12 ILE C 1 1 7 1753 1 1 12 ILE CA C 7.488 -0.326 3.361 1.00 . A A . 12 ILE CA 1 1 7 1754 1 1 12 ILE CB C 6.460 -1.180 4.199 1.00 . A A . 12 ILE CB 1 1 7 1755 1 1 12 ILE CD1 C 4.092 -1.304 5.327 1.00 . A A . 12 ILE CD1 1 1 7 1756 1 1 12 ILE CG1 C 5.158 -0.432 4.635 1.00 . A A . 12 ILE CG1 1 1 7 1757 1 1 12 ILE CG2 C 7.135 -1.840 5.441 1.00 . A A . 12 ILE CG2 1 1 7 1758 1 1 12 ILE H H 5.857 0.131 1.938 1.00 . A A . 12 ILE H 1 1 7 1759 1 1 12 ILE HA H 7.919 0.425 4.052 1.00 . A A . 12 ILE HA 1 1 7 1760 1 1 12 ILE HB H 6.131 -2.000 3.526 1.00 . A A . 12 ILE HB 1 1 7 1761 1 1 12 ILE HD11 H 4.130 -2.357 4.986 1.00 . A A . 12 ILE HD11 1 1 7 1762 1 1 12 ILE HD12 H 4.242 -1.315 6.422 1.00 . A A . 12 ILE HD12 1 1 7 1763 1 1 12 ILE HD13 H 3.068 -0.935 5.139 1.00 . A A . 12 ILE HD13 1 1 7 1764 1 1 12 ILE HG12 H 5.412 0.441 5.266 1.00 . A A . 12 ILE HG12 1 1 7 1765 1 1 12 ILE HG13 H 4.674 0.010 3.748 1.00 . A A . 12 ILE HG13 1 1 7 1766 1 1 12 ILE HG21 H 7.188 -2.939 5.324 1.00 . A A . 12 ILE HG21 1 1 7 1767 1 1 12 ILE HG22 H 8.176 -1.504 5.607 1.00 . A A . 12 ILE HG22 1 1 7 1768 1 1 12 ILE HG23 H 6.615 -1.646 6.396 1.00 . A A . 12 ILE HG23 1 1 7 1769 1 1 12 ILE N N 6.782 0.428 2.274 1.00 . A A . 12 ILE N 1 1 7 1770 1 1 12 ILE O O 9.695 -1.314 3.596 1.00 . A A . 12 ILE O 1 1 7 1771 1 1 13 LEU C C 11.175 -1.684 1.020 1.00 . A A . 13 LEU C 1 1 7 1772 1 1 13 LEU CA C 9.804 -2.443 0.973 1.00 . A A . 13 LEU CA 1 1 7 1773 1 1 13 LEU CB C 9.374 -2.767 -0.504 1.00 . A A . 13 LEU CB 1 1 7 1774 1 1 13 LEU CD1 C 8.244 -4.265 -2.206 1.00 . A A . 13 LEU CD1 1 1 7 1775 1 1 13 LEU CD2 C 10.070 -5.185 -0.737 1.00 . A A . 13 LEU CD2 1 1 7 1776 1 1 13 LEU CG C 8.889 -4.205 -0.806 1.00 . A A . 13 LEU CG 1 1 7 1777 1 1 13 LEU H H 7.774 -1.607 1.151 1.00 . A A . 13 LEU H 1 1 7 1778 1 1 13 LEU HA H 9.963 -3.390 1.523 1.00 . A A . 13 LEU HA 1 1 7 1779 1 1 13 LEU HB2 H 8.615 -2.040 -0.847 1.00 . A A . 13 LEU HB2 1 1 7 1780 1 1 13 LEU HB3 H 10.207 -2.556 -1.200 1.00 . A A . 13 LEU HB3 1 1 7 1781 1 1 13 LEU HD11 H 8.214 -5.290 -2.621 1.00 . A A . 13 LEU HD11 1 1 7 1782 1 1 13 LEU HD12 H 7.198 -3.911 -2.178 1.00 . A A . 13 LEU HD12 1 1 7 1783 1 1 13 LEU HD13 H 8.778 -3.638 -2.945 1.00 . A A . 13 LEU HD13 1 1 7 1784 1 1 13 LEU HD21 H 10.822 -4.981 -1.523 1.00 . A A . 13 LEU HD21 1 1 7 1785 1 1 13 LEU HD22 H 10.599 -5.128 0.232 1.00 . A A . 13 LEU HD22 1 1 7 1786 1 1 13 LEU HD23 H 9.740 -6.233 -0.853 1.00 . A A . 13 LEU HD23 1 1 7 1787 1 1 13 LEU HG H 8.129 -4.506 -0.055 1.00 . A A . 13 LEU HG 1 1 7 1788 1 1 13 LEU N N 8.665 -1.754 1.643 1.00 . A A . 13 LEU N 1 1 7 1789 1 1 13 LEU O O 12.128 -2.106 1.666 1.00 . A A . 13 LEU O 1 1 7 1790 1 1 14 NH2 HN1 H 12.199 -0.068 0.585 1.00 . A A . 14 NH2 HN1 1 1 7 1791 1 1 14 NH2 HN2 H 10.473 -0.184 -0.066 1.00 . A A . 14 NH2 HN2 1 1 7 1792 1 1 14 NH2 N N 11.327 -0.550 0.363 1.00 . A A . 14 NH2 N 1 1 8 1793 1 1 1 PHE C C -9.884 5.022 0.886 1.00 . A A . 1 PHE C 1 1 8 1794 1 1 1 PHE CA C -9.851 6.202 1.912 1.00 . A A . 1 PHE CA 1 1 8 1795 1 1 1 PHE CB C -9.024 5.883 3.199 1.00 . A A . 1 PHE CB 1 1 8 1796 1 1 1 PHE CD1 C -8.544 3.441 3.818 1.00 . A A . 1 PHE CD1 1 1 8 1797 1 1 1 PHE CD2 C -10.557 4.470 4.670 1.00 . A A . 1 PHE CD2 1 1 8 1798 1 1 1 PHE CE1 C -8.910 2.237 4.413 1.00 . A A . 1 PHE CE1 1 1 8 1799 1 1 1 PHE CE2 C -10.929 3.262 5.247 1.00 . A A . 1 PHE CE2 1 1 8 1800 1 1 1 PHE CG C -9.368 4.570 3.938 1.00 . A A . 1 PHE CG 1 1 8 1801 1 1 1 PHE CZ C -10.104 2.147 5.125 1.00 . A A . 1 PHE CZ 1 1 8 1802 1 1 1 PHE H1 H -11.245 7.461 2.916 1.00 . A A . 1 PHE H1 1 1 8 1803 1 1 1 PHE H2 H -11.803 6.857 1.464 1.00 . A A . 1 PHE H2 1 1 8 1804 1 1 1 PHE H3 H -11.710 5.879 2.759 1.00 . A A . 1 PHE H3 1 1 8 1805 1 1 1 PHE HA H -9.351 7.043 1.387 1.00 . A A . 1 PHE HA 1 1 8 1806 1 1 1 PHE HB2 H -7.954 5.851 2.910 1.00 . A A . 1 PHE HB2 1 1 8 1807 1 1 1 PHE HB3 H -9.055 6.730 3.910 1.00 . A A . 1 PHE HB3 1 1 8 1808 1 1 1 PHE HD1 H -7.623 3.478 3.250 1.00 . A A . 1 PHE HD1 1 1 8 1809 1 1 1 PHE HD2 H -11.211 5.320 4.788 1.00 . A A . 1 PHE HD2 1 1 8 1810 1 1 1 PHE HE1 H -8.272 1.368 4.326 1.00 . A A . 1 PHE HE1 1 1 8 1811 1 1 1 PHE HE2 H -11.860 3.187 5.793 1.00 . A A . 1 PHE HE2 1 1 8 1812 1 1 1 PHE HZ H -10.390 1.215 5.590 1.00 . A A . 1 PHE HZ 1 1 8 1813 1 1 1 PHE N N -11.222 6.652 2.287 1.00 . A A . 1 PHE N 1 1 8 1814 1 1 1 PHE O O -10.941 4.429 0.651 1.00 . A A . 1 PHE O 1 1 8 1815 1 1 2 VAL C C -7.763 2.324 0.207 1.00 . A A . 2 VAL C 1 1 8 1816 1 1 2 VAL CA C -8.592 3.454 -0.531 1.00 . A A . 2 VAL CA 1 1 8 1817 1 1 2 VAL CB C -8.058 3.857 -1.941 1.00 . A A . 2 VAL CB 1 1 8 1818 1 1 2 VAL CG1 C -6.549 4.152 -1.969 1.00 . A A . 2 VAL CG1 1 1 8 1819 1 1 2 VAL CG2 C -8.371 2.797 -3.019 1.00 . A A . 2 VAL CG2 1 1 8 1820 1 1 2 VAL H H -7.876 5.114 0.679 1.00 . A A . 2 VAL H 1 1 8 1821 1 1 2 VAL HA H -9.607 3.064 -0.722 1.00 . A A . 2 VAL HA 1 1 8 1822 1 1 2 VAL HB H -8.590 4.778 -2.256 1.00 . A A . 2 VAL HB 1 1 8 1823 1 1 2 VAL HG11 H -5.964 3.214 -1.911 1.00 . A A . 2 VAL HG11 1 1 8 1824 1 1 2 VAL HG12 H -6.243 4.680 -2.888 1.00 . A A . 2 VAL HG12 1 1 8 1825 1 1 2 VAL HG13 H -6.222 4.765 -1.109 1.00 . A A . 2 VAL HG13 1 1 8 1826 1 1 2 VAL HG21 H -9.459 2.606 -3.098 1.00 . A A . 2 VAL HG21 1 1 8 1827 1 1 2 VAL HG22 H -8.035 3.103 -4.026 1.00 . A A . 2 VAL HG22 1 1 8 1828 1 1 2 VAL HG23 H -7.886 1.824 -2.801 1.00 . A A . 2 VAL HG23 1 1 8 1829 1 1 2 VAL N N -8.725 4.672 0.313 1.00 . A A . 2 VAL N 1 1 8 1830 1 1 2 VAL O O -6.732 2.631 0.823 1.00 . A A . 2 VAL O 1 1 8 1831 1 1 3 . C C -6.106 -0.401 -0.307 1.00 . A A . 3 PH6 C 1 1 8 1832 1 1 3 . C1 C -10.812 -1.534 -0.089 1.00 . A A . 3 PH6 C1 1 1 8 1833 1 1 3 . C2 C -11.805 -1.190 -1.247 1.00 . A A . 3 PH6 C2 1 1 8 1834 1 1 3 . C3 C -13.214 -1.767 -0.986 1.00 . A A . 3 PH6 C3 1 1 8 1835 1 1 3 . C4 C -13.759 -1.299 0.386 1.00 . A A . 3 PH6 C4 1 1 8 1836 1 1 3 . C5 C -12.806 -1.699 1.535 1.00 . A A . 3 PH6 C5 1 1 8 1837 1 1 3 . C6 C -11.411 -1.108 1.296 1.00 . A A . 3 PH6 C6 1 1 8 1838 1 1 3 . CA C -7.313 -0.108 0.622 1.00 . A A . 3 PH6 CA 1 1 8 1839 1 1 3 . CB C -8.320 -1.265 0.673 1.00 . A A . 3 PH6 CB 1 1 8 1840 1 1 3 . CD C -9.411 0.591 -0.453 1.00 . A A . 3 PH6 CD 1 1 8 1841 1 1 3 . CG C -9.410 -0.934 -0.364 1.00 . A A . 3 PH6 CG 1 1 8 1842 1 1 3 . H1 H -10.690 -2.636 -0.081 1.00 . A A . 3 PH6 H1 1 1 8 1843 1 1 3 . H21 H -11.419 -1.557 -2.218 1.00 . A A . 3 PH6 H21 1 1 8 1844 1 1 3 . H22 H -11.895 -0.093 -1.371 1.00 . A A . 3 PH6 H22 1 1 8 1845 1 1 3 . H31 H -13.906 -1.472 -1.797 1.00 . A A . 3 PH6 H31 1 1 8 1846 1 1 3 . H32 H -13.168 -2.873 -1.017 1.00 . A A . 3 PH6 H32 1 1 8 1847 1 1 3 . H41 H -14.764 -1.721 0.568 1.00 . A A . 3 PH6 H41 1 1 8 1848 1 1 3 . H42 H -13.892 -0.199 0.380 1.00 . A A . 3 PH6 H42 1 1 8 1849 1 1 3 . H51 H -13.193 -1.350 2.511 1.00 . A A . 3 PH6 H51 1 1 8 1850 1 1 3 . H52 H -12.728 -2.801 1.614 1.00 . A A . 3 PH6 H52 1 1 8 1851 1 1 3 . H61 H -10.755 -1.407 2.130 1.00 . A A . 3 PH6 H61 1 1 8 1852 1 1 3 . H62 H -11.492 -0.009 1.379 1.00 . A A . 3 PH6 H62 1 1 8 1853 1 1 3 . HA H -6.959 0.082 1.656 1.00 . A A . 3 PH6 HA 1 1 8 1854 1 1 3 . HB2 H -8.713 -1.345 1.698 1.00 . A A . 3 PH6 HB2 1 1 8 1855 1 1 3 . HB3 H -7.851 -2.243 0.471 1.00 . A A . 3 PH6 HB3 1 1 8 1856 1 1 3 . HD2 H -10.239 1.058 0.110 1.00 . A A . 3 PH6 HD2 1 1 8 1857 1 1 3 . HD3 H -9.540 0.900 -1.504 1.00 . A A . 3 PH6 HD3 1 1 8 1858 1 1 3 . HG2 H -9.046 -1.315 -1.342 1.00 . A A . 3 PH6 HG2 1 1 8 1859 1 1 3 . N N -8.139 1.021 0.129 1.00 . A A . 3 PH6 N 1 1 8 1860 1 1 3 . O O -6.178 -1.129 -1.303 1.00 . A A . 3 PH6 O 1 1 8 1861 1 1 4 TRP C C -3.017 -1.314 -0.210 1.00 . A A . 4 TRP C 1 1 8 1862 1 1 4 TRP CA C -3.717 -0.015 -0.692 1.00 . A A . 4 TRP CA 1 1 8 1863 1 1 4 TRP CB C -2.850 1.253 -0.536 1.00 . A A . 4 TRP CB 1 1 8 1864 1 1 4 TRP CD1 C -3.415 2.256 -2.929 1.00 . A A . 4 TRP CD1 1 1 8 1865 1 1 4 TRP CD2 C -3.028 3.741 -1.320 1.00 . A A . 4 TRP CD2 1 1 8 1866 1 1 4 TRP CE2 C -3.275 4.410 -2.548 1.00 . A A . 4 TRP CE2 1 1 8 1867 1 1 4 TRP CE3 C -2.803 4.479 -0.131 1.00 . A A . 4 TRP CE3 1 1 8 1868 1 1 4 TRP CG C -3.116 2.384 -1.546 1.00 . A A . 4 TRP CG 1 1 8 1869 1 1 4 TRP CH2 C -3.124 6.533 -1.401 1.00 . A A . 4 TRP CH2 1 1 8 1870 1 1 4 TRP CZ2 C -3.342 5.820 -2.583 1.00 . A A . 4 TRP CZ2 1 1 8 1871 1 1 4 TRP CZ3 C -2.851 5.872 -0.196 1.00 . A A . 4 TRP CZ3 1 1 8 1872 1 1 4 TRP H H -5.081 0.883 0.804 1.00 . A A . 4 TRP H 1 1 8 1873 1 1 4 TRP HA H -3.943 -0.140 -1.771 1.00 . A A . 4 TRP HA 1 1 8 1874 1 1 4 TRP HB2 H -2.913 1.631 0.503 1.00 . A A . 4 TRP HB2 1 1 8 1875 1 1 4 TRP HB3 H -1.796 0.953 -0.621 1.00 . A A . 4 TRP HB3 1 1 8 1876 1 1 4 TRP HD1 H -3.543 1.311 -3.442 1.00 . A A . 4 TRP HD1 1 1 8 1877 1 1 4 TRP HE1 H -3.863 3.694 -4.512 1.00 . A A . 4 TRP HE1 1 1 8 1878 1 1 4 TRP HE3 H -2.626 3.979 0.811 1.00 . A A . 4 TRP HE3 1 1 8 1879 1 1 4 TRP HH2 H -3.187 7.611 -1.414 1.00 . A A . 4 TRP HH2 1 1 8 1880 1 1 4 TRP HZ2 H -3.592 6.332 -3.500 1.00 . A A . 4 TRP HZ2 1 1 8 1881 1 1 4 TRP HZ3 H -2.693 6.448 0.705 1.00 . A A . 4 TRP HZ3 1 1 8 1882 1 1 4 TRP N N -4.975 0.207 0.039 1.00 . A A . 4 TRP N 1 1 8 1883 1 1 4 TRP NE1 N -3.495 3.504 -3.571 1.00 . A A . 4 TRP NE1 1 1 8 1884 1 1 4 TRP O O -2.402 -1.355 0.855 1.00 . A A . 4 TRP O 1 1 8 1885 1 1 5 PHE C C -1.024 -3.739 -1.177 1.00 . A A . 5 PHE C 1 1 8 1886 1 1 5 PHE CA C -2.519 -3.693 -0.721 1.00 . A A . 5 PHE CA 1 1 8 1887 1 1 5 PHE CB C -3.378 -4.835 -1.358 1.00 . A A . 5 PHE CB 1 1 8 1888 1 1 5 PHE CD1 C -5.482 -5.040 0.064 1.00 . A A . 5 PHE CD1 1 1 8 1889 1 1 5 PHE CD2 C -5.715 -4.383 -2.250 1.00 . A A . 5 PHE CD2 1 1 8 1890 1 1 5 PHE CE1 C -6.859 -4.946 0.225 1.00 . A A . 5 PHE CE1 1 1 8 1891 1 1 5 PHE CE2 C -7.091 -4.286 -2.086 1.00 . A A . 5 PHE CE2 1 1 8 1892 1 1 5 PHE CG C -4.900 -4.770 -1.179 1.00 . A A . 5 PHE CG 1 1 8 1893 1 1 5 PHE CZ C -7.667 -4.580 -0.851 1.00 . A A . 5 PHE CZ 1 1 8 1894 1 1 5 PHE H H -3.872 -2.263 -1.715 1.00 . A A . 5 PHE H 1 1 8 1895 1 1 5 PHE HA H -2.533 -3.853 0.377 1.00 . A A . 5 PHE HA 1 1 8 1896 1 1 5 PHE HB2 H -3.158 -4.915 -2.439 1.00 . A A . 5 PHE HB2 1 1 8 1897 1 1 5 PHE HB3 H -3.018 -5.803 -0.959 1.00 . A A . 5 PHE HB3 1 1 8 1898 1 1 5 PHE HD1 H -4.859 -5.309 0.906 1.00 . A A . 5 PHE HD1 1 1 8 1899 1 1 5 PHE HD2 H -5.281 -4.142 -3.212 1.00 . A A . 5 PHE HD2 1 1 8 1900 1 1 5 PHE HE1 H -7.302 -5.147 1.191 1.00 . A A . 5 PHE HE1 1 1 8 1901 1 1 5 PHE HE2 H -7.713 -3.973 -2.913 1.00 . A A . 5 PHE HE2 1 1 8 1902 1 1 5 PHE HZ H -8.734 -4.495 -0.722 1.00 . A A . 5 PHE HZ 1 1 8 1903 1 1 5 PHE N N -3.108 -2.358 -1.036 1.00 . A A . 5 PHE N 1 1 8 1904 1 1 5 PHE O O -0.102 -3.754 -0.358 1.00 . A A . 5 PHE O 1 1 8 1905 1 1 6 SER C C 1.253 -2.156 -2.850 1.00 . A A . 6 SER C 1 1 8 1906 1 1 6 SER CA C 0.546 -3.523 -3.108 1.00 . A A . 6 SER CA 1 1 8 1907 1 1 6 SER CB C 0.417 -3.831 -4.620 1.00 . A A . 6 SER CB 1 1 8 1908 1 1 6 SER H H -1.659 -3.525 -3.047 1.00 . A A . 6 SER H 1 1 8 1909 1 1 6 SER HA H 1.195 -4.304 -2.662 1.00 . A A . 6 SER HA 1 1 8 1910 1 1 6 SER HB2 H 1.417 -4.103 -5.008 1.00 . A A . 6 SER HB2 1 1 8 1911 1 1 6 SER HB3 H -0.213 -4.727 -4.795 1.00 . A A . 6 SER HB3 1 1 8 1912 1 1 6 SER HG H 0.174 -2.846 -6.286 1.00 . A A . 6 SER HG 1 1 8 1913 1 1 6 SER N N -0.802 -3.666 -2.503 1.00 . A A . 6 SER N 1 1 8 1914 1 1 6 SER O O 2.439 -2.129 -2.535 1.00 . A A . 6 SER O 1 1 8 1915 1 1 6 SER OG O -0.105 -2.725 -5.370 1.00 . A A . 6 SER OG 1 1 8 1916 1 1 7 LYS C C 1.690 0.481 -1.158 1.00 . A A . 7 LYS C 1 1 8 1917 1 1 7 LYS CA C 1.051 0.321 -2.578 1.00 . A A . 7 LYS CA 1 1 8 1918 1 1 7 LYS CB C -0.099 1.354 -2.767 1.00 . A A . 7 LYS CB 1 1 8 1919 1 1 7 LYS CD C 1.249 3.458 -3.330 1.00 . A A . 7 LYS CD 1 1 8 1920 1 1 7 LYS CE C 1.909 4.236 -4.478 1.00 . A A . 7 LYS CE 1 1 8 1921 1 1 7 LYS CG C 0.167 2.453 -3.798 1.00 . A A . 7 LYS CG 1 1 8 1922 1 1 7 LYS H H -0.437 -1.218 -3.231 1.00 . A A . 7 LYS H 1 1 8 1923 1 1 7 LYS HA H 1.866 0.541 -3.296 1.00 . A A . 7 LYS HA 1 1 8 1924 1 1 7 LYS HB2 H -1.053 0.854 -3.028 1.00 . A A . 7 LYS HB2 1 1 8 1925 1 1 7 LYS HB3 H -0.331 1.860 -1.810 1.00 . A A . 7 LYS HB3 1 1 8 1926 1 1 7 LYS HD2 H 0.829 4.133 -2.554 1.00 . A A . 7 LYS HD2 1 1 8 1927 1 1 7 LYS HD3 H 2.055 2.918 -2.791 1.00 . A A . 7 LYS HD3 1 1 8 1928 1 1 7 LYS HE2 H 2.727 4.876 -4.073 1.00 . A A . 7 LYS HE2 1 1 8 1929 1 1 7 LYS HE3 H 2.432 3.514 -5.151 1.00 . A A . 7 LYS HE3 1 1 8 1930 1 1 7 LYS HG2 H 0.419 1.975 -4.766 1.00 . A A . 7 LYS HG2 1 1 8 1931 1 1 7 LYS HG3 H -0.782 2.996 -3.976 1.00 . A A . 7 LYS HG3 1 1 8 1932 1 1 7 LYS HZ1 H 1.259 5.568 -6.017 1.00 . A A . 7 LYS HZ1 1 1 8 1933 1 1 7 LYS HZ2 H 0.144 4.440 -5.596 1.00 . A A . 7 LYS HZ2 1 1 8 1934 1 1 7 LYS HZ3 H 0.395 5.714 -4.614 1.00 . A A . 7 LYS HZ3 1 1 8 1935 1 1 7 LYS N N 0.530 -1.025 -2.950 1.00 . A A . 7 LYS N 1 1 8 1936 1 1 7 LYS NZ N 0.889 5.040 -5.214 1.00 . A A . 7 LYS NZ 1 1 8 1937 1 1 7 LYS O O 2.707 1.163 -1.005 1.00 . A A . 7 LYS O 1 1 8 1938 1 1 8 PHE C C 3.009 -1.127 1.190 1.00 . A A . 8 PHE C 1 1 8 1939 1 1 8 PHE CA C 1.685 -0.328 1.197 1.00 . A A . 8 PHE CA 1 1 8 1940 1 1 8 PHE CB C 0.614 -0.976 2.123 1.00 . A A . 8 PHE CB 1 1 8 1941 1 1 8 PHE CD1 C -0.728 1.158 2.509 1.00 . A A . 8 PHE CD1 1 1 8 1942 1 1 8 PHE CD2 C -0.086 -0.180 4.413 1.00 . A A . 8 PHE CD2 1 1 8 1943 1 1 8 PHE CE1 C -1.319 2.087 3.353 1.00 . A A . 8 PHE CE1 1 1 8 1944 1 1 8 PHE CE2 C -0.685 0.744 5.258 1.00 . A A . 8 PHE CE2 1 1 8 1945 1 1 8 PHE CG C -0.103 0.021 3.029 1.00 . A A . 8 PHE CG 1 1 8 1946 1 1 8 PHE CZ C -1.301 1.878 4.733 1.00 . A A . 8 PHE CZ 1 1 8 1947 1 1 8 PHE H H 0.337 -0.782 -0.466 1.00 . A A . 8 PHE H 1 1 8 1948 1 1 8 PHE HA H 1.959 0.672 1.592 1.00 . A A . 8 PHE HA 1 1 8 1949 1 1 8 PHE HB2 H -0.121 -1.576 1.555 1.00 . A A . 8 PHE HB2 1 1 8 1950 1 1 8 PHE HB3 H 1.087 -1.761 2.749 1.00 . A A . 8 PHE HB3 1 1 8 1951 1 1 8 PHE HD1 H -0.719 1.335 1.442 1.00 . A A . 8 PHE HD1 1 1 8 1952 1 1 8 PHE HD2 H 0.400 -1.051 4.832 1.00 . A A . 8 PHE HD2 1 1 8 1953 1 1 8 PHE HE1 H -1.783 2.970 2.943 1.00 . A A . 8 PHE HE1 1 1 8 1954 1 1 8 PHE HE2 H -0.668 0.574 6.327 1.00 . A A . 8 PHE HE2 1 1 8 1955 1 1 8 PHE HZ H -1.764 2.592 5.393 1.00 . A A . 8 PHE HZ 1 1 8 1956 1 1 8 PHE N N 1.070 -0.139 -0.143 1.00 . A A . 8 PHE N 1 1 8 1957 1 1 8 PHE O O 4.050 -0.556 1.520 1.00 . A A . 8 PHE O 1 1 8 1958 1 1 9 LEU C C 5.322 -2.488 -0.320 1.00 . A A . 9 LEU C 1 1 8 1959 1 1 9 LEU CA C 4.203 -3.193 0.504 1.00 . A A . 9 LEU CA 1 1 8 1960 1 1 9 LEU CB C 3.808 -4.571 -0.107 1.00 . A A . 9 LEU CB 1 1 8 1961 1 1 9 LEU CD1 C 3.124 -5.868 1.967 1.00 . A A . 9 LEU CD1 1 1 8 1962 1 1 9 LEU CD2 C 4.139 -7.087 -0.003 1.00 . A A . 9 LEU CD2 1 1 8 1963 1 1 9 LEU CG C 4.129 -5.776 0.804 1.00 . A A . 9 LEU CG 1 1 8 1964 1 1 9 LEU H H 2.058 -2.703 0.399 1.00 . A A . 9 LEU H 1 1 8 1965 1 1 9 LEU HA H 4.654 -3.357 1.506 1.00 . A A . 9 LEU HA 1 1 8 1966 1 1 9 LEU HB2 H 2.748 -4.612 -0.425 1.00 . A A . 9 LEU HB2 1 1 8 1967 1 1 9 LEU HB3 H 4.355 -4.705 -1.062 1.00 . A A . 9 LEU HB3 1 1 8 1968 1 1 9 LEU HD11 H 3.040 -4.917 2.526 1.00 . A A . 9 LEU HD11 1 1 8 1969 1 1 9 LEU HD12 H 2.105 -6.116 1.612 1.00 . A A . 9 LEU HD12 1 1 8 1970 1 1 9 LEU HD13 H 3.414 -6.642 2.701 1.00 . A A . 9 LEU HD13 1 1 8 1971 1 1 9 LEU HD21 H 4.871 -7.803 0.414 1.00 . A A . 9 LEU HD21 1 1 8 1972 1 1 9 LEU HD22 H 3.157 -7.595 -0.016 1.00 . A A . 9 LEU HD22 1 1 8 1973 1 1 9 LEU HD23 H 4.431 -6.940 -1.061 1.00 . A A . 9 LEU HD23 1 1 8 1974 1 1 9 LEU HG H 5.150 -5.637 1.222 1.00 . A A . 9 LEU HG 1 1 8 1975 1 1 9 LEU N N 2.975 -2.393 0.740 1.00 . A A . 9 LEU N 1 1 8 1976 1 1 9 LEU O O 6.460 -2.518 0.117 1.00 . A A . 9 LEU O 1 1 8 1977 1 1 10 GLY C C 6.703 0.188 -1.420 1.00 . A A . 10 GLY C 1 1 8 1978 1 1 10 GLY CA C 5.974 -0.951 -2.176 1.00 . A A . 10 GLY CA 1 1 8 1979 1 1 10 GLY H H 3.990 -1.816 -1.615 1.00 . A A . 10 GLY H 1 1 8 1980 1 1 10 GLY HA2 H 6.738 -1.604 -2.636 1.00 . A A . 10 GLY HA2 1 1 8 1981 1 1 10 GLY HA3 H 5.446 -0.494 -3.031 1.00 . A A . 10 GLY HA3 1 1 8 1982 1 1 10 GLY N N 5.004 -1.802 -1.429 1.00 . A A . 10 GLY N 1 1 8 1983 1 1 10 GLY O O 7.915 0.344 -1.559 1.00 . A A . 10 GLY O 1 1 8 1984 1 1 11 ARG C C 7.421 1.323 1.504 1.00 . A A . 11 ARG C 1 1 8 1985 1 1 11 ARG CA C 6.588 1.945 0.338 1.00 . A A . 11 ARG CA 1 1 8 1986 1 1 11 ARG CB C 5.449 2.841 0.904 1.00 . A A . 11 ARG CB 1 1 8 1987 1 1 11 ARG CD C 5.609 5.297 0.172 1.00 . A A . 11 ARG CD 1 1 8 1988 1 1 11 ARG CG C 4.941 3.931 -0.072 1.00 . A A . 11 ARG CG 1 1 8 1989 1 1 11 ARG CZ C 5.397 7.044 1.960 1.00 . A A . 11 ARG CZ 1 1 8 1990 1 1 11 ARG H H 5.017 0.623 -0.497 1.00 . A A . 11 ARG H 1 1 8 1991 1 1 11 ARG HA H 7.305 2.583 -0.218 1.00 . A A . 11 ARG HA 1 1 8 1992 1 1 11 ARG HB2 H 4.611 2.198 1.244 1.00 . A A . 11 ARG HB2 1 1 8 1993 1 1 11 ARG HB3 H 5.793 3.316 1.846 1.00 . A A . 11 ARG HB3 1 1 8 1994 1 1 11 ARG HD2 H 6.691 5.138 0.384 1.00 . A A . 11 ARG HD2 1 1 8 1995 1 1 11 ARG HD3 H 5.577 5.903 -0.757 1.00 . A A . 11 ARG HD3 1 1 8 1996 1 1 11 ARG HE H 4.005 5.679 1.629 1.00 . A A . 11 ARG HE 1 1 8 1997 1 1 11 ARG HG2 H 5.145 3.605 -1.113 1.00 . A A . 11 ARG HG2 1 1 8 1998 1 1 11 ARG HG3 H 3.836 3.989 -0.031 1.00 . A A . 11 ARG HG3 1 1 8 1999 1 1 11 ARG HH11 H 6.893 8.335 2.319 1.00 . A A . 11 ARG HH11 1 1 8 2000 1 1 11 ARG HH12 H 7.116 7.061 1.029 1.00 . A A . 11 ARG HH12 1 1 8 2001 1 1 11 ARG HH21 H 5.061 8.365 3.396 1.00 . A A . 11 ARG HH21 1 1 8 2002 1 1 11 ARG HH22 H 3.750 7.147 3.060 1.00 . A A . 11 ARG HH22 1 1 8 2003 1 1 11 ARG N N 5.972 0.981 -0.624 1.00 . A A . 11 ARG N 1 1 8 2004 1 1 11 ARG NE N 4.913 6.008 1.286 1.00 . A A . 11 ARG NE 1 1 8 2005 1 1 11 ARG NH1 N 6.573 7.559 1.738 1.00 . A A . 11 ARG NH1 1 1 8 2006 1 1 11 ARG NH2 N 4.663 7.571 2.888 1.00 . A A . 11 ARG NH2 1 1 8 2007 1 1 11 ARG O O 8.567 1.722 1.711 1.00 . A A . 11 ARG O 1 1 8 2008 1 1 12 ILE C C 8.766 -1.240 2.831 1.00 . A A . 12 ILE C 1 1 8 2009 1 1 12 ILE CA C 7.546 -0.375 3.341 1.00 . A A . 12 ILE CA 1 1 8 2010 1 1 12 ILE CB C 6.524 -1.232 4.183 1.00 . A A . 12 ILE CB 1 1 8 2011 1 1 12 ILE CD1 C 4.167 -1.357 5.337 1.00 . A A . 12 ILE CD1 1 1 8 2012 1 1 12 ILE CG1 C 5.232 -0.482 4.645 1.00 . A A . 12 ILE CG1 1 1 8 2013 1 1 12 ILE CG2 C 7.211 -1.904 5.412 1.00 . A A . 12 ILE CG2 1 1 8 2014 1 1 12 ILE H H 5.903 0.099 1.935 1.00 . A A . 12 ILE H 1 1 8 2015 1 1 12 ILE HA H 7.985 0.370 4.034 1.00 . A A . 12 ILE HA 1 1 8 2016 1 1 12 ILE HB H 6.183 -2.044 3.507 1.00 . A A . 12 ILE HB 1 1 8 2017 1 1 12 ILE HD11 H 4.178 -1.198 6.431 1.00 . A A . 12 ILE HD11 1 1 8 2018 1 1 12 ILE HD12 H 3.146 -1.134 4.979 1.00 . A A . 12 ILE HD12 1 1 8 2019 1 1 12 ILE HD13 H 4.338 -2.438 5.171 1.00 . A A . 12 ILE HD13 1 1 8 2020 1 1 12 ILE HG12 H 5.502 0.379 5.286 1.00 . A A . 12 ILE HG12 1 1 8 2021 1 1 12 ILE HG13 H 4.743 -0.018 3.772 1.00 . A A . 12 ILE HG13 1 1 8 2022 1 1 12 ILE HG21 H 6.696 -1.721 6.373 1.00 . A A . 12 ILE HG21 1 1 8 2023 1 1 12 ILE HG22 H 7.262 -3.002 5.283 1.00 . A A . 12 ILE HG22 1 1 8 2024 1 1 12 ILE HG23 H 8.253 -1.569 5.573 1.00 . A A . 12 ILE HG23 1 1 8 2025 1 1 12 ILE N N 6.832 0.389 2.266 1.00 . A A . 12 ILE N 1 1 8 2026 1 1 12 ILE O O 9.759 -1.359 3.548 1.00 . A A . 12 ILE O 1 1 8 2027 1 1 13 LEU C C 11.203 -1.720 0.952 1.00 . A A . 13 LEU C 1 1 8 2028 1 1 13 LEU CA C 9.832 -2.482 0.914 1.00 . A A . 13 LEU CA 1 1 8 2029 1 1 13 LEU CB C 9.368 -2.767 -0.559 1.00 . A A . 13 LEU CB 1 1 8 2030 1 1 13 LEU CD1 C 8.136 -4.206 -2.252 1.00 . A A . 13 LEU CD1 1 1 8 2031 1 1 13 LEU CD2 C 10.094 -5.158 -0.936 1.00 . A A . 13 LEU CD2 1 1 8 2032 1 1 13 LEU CG C 8.890 -4.200 -0.903 1.00 . A A . 13 LEU CG 1 1 8 2033 1 1 13 LEU H H 7.808 -1.643 1.127 1.00 . A A . 13 LEU H 1 1 8 2034 1 1 13 LEU HA H 10.002 -3.445 1.433 1.00 . A A . 13 LEU HA 1 1 8 2035 1 1 13 LEU HB2 H 8.600 -2.034 -0.866 1.00 . A A . 13 LEU HB2 1 1 8 2036 1 1 13 LEU HB3 H 10.180 -2.521 -1.270 1.00 . A A . 13 LEU HB3 1 1 8 2037 1 1 13 LEU HD11 H 8.252 -5.150 -2.816 1.00 . A A . 13 LEU HD11 1 1 8 2038 1 1 13 LEU HD12 H 7.050 -4.080 -2.091 1.00 . A A . 13 LEU HD12 1 1 8 2039 1 1 13 LEU HD13 H 8.454 -3.391 -2.929 1.00 . A A . 13 LEU HD13 1 1 8 2040 1 1 13 LEU HD21 H 10.992 -4.695 -1.388 1.00 . A A . 13 LEU HD21 1 1 8 2041 1 1 13 LEU HD22 H 10.378 -5.471 0.086 1.00 . A A . 13 LEU HD22 1 1 8 2042 1 1 13 LEU HD23 H 9.893 -6.085 -1.503 1.00 . A A . 13 LEU HD23 1 1 8 2043 1 1 13 LEU HG H 8.181 -4.554 -0.124 1.00 . A A . 13 LEU HG 1 1 8 2044 1 1 13 LEU N N 8.700 -1.807 1.612 1.00 . A A . 13 LEU N 1 1 8 2045 1 1 13 LEU O O 12.169 -2.155 1.569 1.00 . A A . 13 LEU O 1 1 8 2046 1 1 14 NH2 HN1 H 12.214 -0.088 0.543 1.00 . A A . 14 NH2 HN1 1 1 8 2047 1 1 14 NH2 HN2 H 10.475 -0.188 -0.075 1.00 . A A . 14 NH2 HN2 1 1 8 2048 1 1 14 NH2 N N 11.339 -0.567 0.324 1.00 . A A . 14 NH2 N 1 1 9 2049 1 1 1 PHE C C -10.200 4.886 0.959 1.00 . A A . 1 PHE C 1 1 9 2050 1 1 1 PHE CA C -10.321 6.033 2.011 1.00 . A A . 1 PHE CA 1 1 9 2051 1 1 1 PHE CB C -9.445 5.784 3.277 1.00 . A A . 1 PHE CB 1 1 9 2052 1 1 1 PHE CD1 C -9.248 3.267 3.716 1.00 . A A . 1 PHE CD1 1 1 9 2053 1 1 1 PHE CD2 C -10.625 4.595 5.191 1.00 . A A . 1 PHE CD2 1 1 9 2054 1 1 1 PHE CE1 C -9.623 2.115 4.401 1.00 . A A . 1 PHE CE1 1 1 9 2055 1 1 1 PHE CE2 C -10.993 3.443 5.881 1.00 . A A . 1 PHE CE2 1 1 9 2056 1 1 1 PHE CG C -9.758 4.515 4.098 1.00 . A A . 1 PHE CG 1 1 9 2057 1 1 1 PHE CZ C -10.494 2.204 5.484 1.00 . A A . 1 PHE CZ 1 1 9 2058 1 1 1 PHE H1 H -11.866 7.065 3.049 1.00 . A A . 1 PHE H1 1 1 9 2059 1 1 1 PHE H2 H -12.351 6.418 1.590 1.00 . A A . 1 PHE H2 1 1 9 2060 1 1 1 PHE H3 H -12.108 5.438 2.871 1.00 . A A . 1 PHE H3 1 1 9 2061 1 1 1 PHE HA H -9.941 6.950 1.515 1.00 . A A . 1 PHE HA 1 1 9 2062 1 1 1 PHE HB2 H -8.381 5.737 2.969 1.00 . A A . 1 PHE HB2 1 1 9 2063 1 1 1 PHE HB3 H -9.467 6.676 3.933 1.00 . A A . 1 PHE HB3 1 1 9 2064 1 1 1 PHE HD1 H -8.581 3.173 2.870 1.00 . A A . 1 PHE HD1 1 1 9 2065 1 1 1 PHE HD2 H -11.025 5.546 5.513 1.00 . A A . 1 PHE HD2 1 1 9 2066 1 1 1 PHE HE1 H -9.245 1.151 4.091 1.00 . A A . 1 PHE HE1 1 1 9 2067 1 1 1 PHE HE2 H -11.664 3.508 6.726 1.00 . A A . 1 PHE HE2 1 1 9 2068 1 1 1 PHE HZ H -10.781 1.311 6.022 1.00 . A A . 1 PHE HZ 1 1 9 2069 1 1 1 PHE N N -11.739 6.279 2.404 1.00 . A A . 1 PHE N 1 1 9 2070 1 1 1 PHE O O -11.097 4.044 0.851 1.00 . A A . 1 PHE O 1 1 9 2071 1 1 2 VAL C C -7.892 2.587 0.067 1.00 . A A . 2 VAL C 1 1 9 2072 1 1 2 VAL CA C -8.781 3.674 -0.664 1.00 . A A . 2 VAL CA 1 1 9 2073 1 1 2 VAL CB C -8.212 4.175 -2.029 1.00 . A A . 2 VAL CB 1 1 9 2074 1 1 2 VAL CG1 C -6.733 4.595 -1.968 1.00 . A A . 2 VAL CG1 1 1 9 2075 1 1 2 VAL CG2 C -8.380 3.130 -3.153 1.00 . A A . 2 VAL CG2 1 1 9 2076 1 1 2 VAL H H -8.319 5.464 0.488 1.00 . A A . 2 VAL H 1 1 9 2077 1 1 2 VAL HA H -9.752 3.217 -0.929 1.00 . A A . 2 VAL HA 1 1 9 2078 1 1 2 VAL HB H -8.804 5.061 -2.336 1.00 . A A . 2 VAL HB 1 1 9 2079 1 1 2 VAL HG11 H -6.064 3.712 -1.959 1.00 . A A . 2 VAL HG11 1 1 9 2080 1 1 2 VAL HG12 H -6.434 5.239 -2.813 1.00 . A A . 2 VAL HG12 1 1 9 2081 1 1 2 VAL HG13 H -6.508 5.146 -1.036 1.00 . A A . 2 VAL HG13 1 1 9 2082 1 1 2 VAL HG21 H -9.445 2.869 -3.310 1.00 . A A . 2 VAL HG21 1 1 9 2083 1 1 2 VAL HG22 H -8.000 3.491 -4.125 1.00 . A A . 2 VAL HG22 1 1 9 2084 1 1 2 VAL HG23 H -7.848 2.185 -2.925 1.00 . A A . 2 VAL HG23 1 1 9 2085 1 1 2 VAL N N -9.080 4.830 0.224 1.00 . A A . 2 VAL N 1 1 9 2086 1 1 2 VAL O O -6.900 2.948 0.715 1.00 . A A . 2 VAL O 1 1 9 2087 1 1 3 . C C -6.003 0.024 -0.425 1.00 . A A . 3 PH6 C 1 1 9 2088 1 1 3 . C1 C -11.702 -3.782 -0.425 1.00 . A A . 3 PH6 C1 1 1 9 2089 1 1 3 . C2 C -12.674 -3.408 -1.565 1.00 . A A . 3 PH6 C2 1 1 9 2090 1 1 3 . C3 C -12.924 -1.880 -1.613 1.00 . A A . 3 PH6 C3 1 1 9 2091 1 1 3 . C4 C -11.592 -1.106 -1.760 1.00 . A A . 3 PH6 C4 1 1 9 2092 1 1 3 . C5 C -10.604 -1.458 -0.603 1.00 . A A . 3 PH6 C5 1 1 9 2093 1 1 3 . C6 C -10.402 -2.982 -0.581 1.00 . A A . 3 PH6 C6 1 1 9 2094 1 1 3 . CA C -7.284 0.193 0.446 1.00 . A A . 3 PH6 CA 1 1 9 2095 1 1 3 . CB C -8.207 -1.032 0.383 1.00 . A A . 3 PH6 CB 1 1 9 2096 1 1 3 . CD C -9.411 0.763 -0.656 1.00 . A A . 3 PH6 CD 1 1 9 2097 1 1 3 . CG C -9.235 -0.745 -0.732 1.00 . A A . 3 PH6 CG 1 1 9 2098 1 1 3 . H1 H -12.152 -3.576 0.566 1.00 . A A . 3 PH6 H1 1 1 9 2099 1 1 3 . H21 H -12.251 -3.747 -2.532 1.00 . A A . 3 PH6 H21 1 1 9 2100 1 1 3 . H22 H -11.475 -4.866 -0.437 1.00 . A A . 3 PH6 H22 1 1 9 2101 1 1 3 . H31 H -13.433 -1.559 -0.683 1.00 . A A . 3 PH6 H31 1 1 9 2102 1 1 3 . H32 H -13.625 -3.959 -1.446 1.00 . A A . 3 PH6 H32 1 1 9 2103 1 1 3 . H41 H -11.129 -1.341 -2.740 1.00 . A A . 3 PH6 H41 1 1 9 2104 1 1 3 . H42 H -13.613 -1.626 -2.439 1.00 . A A . 3 PH6 H42 1 1 9 2105 1 1 3 . H51 H -11.063 -1.162 0.361 1.00 . A A . 3 PH6 H51 1 1 9 2106 1 1 3 . H52 H -11.800 -0.020 -1.790 1.00 . A A . 3 PH6 H52 1 1 9 2107 1 1 3 . H61 H -9.702 -3.268 0.226 1.00 . A A . 3 PH6 H61 1 1 9 2108 1 1 3 . H62 H -9.937 -3.250 -1.548 1.00 . A A . 3 PH6 H62 1 1 9 2109 1 1 3 . HA H -7.015 0.371 1.508 1.00 . A A . 3 PH6 HA 1 1 9 2110 1 1 3 . HB2 H -8.713 -1.175 1.356 1.00 . A A . 3 PH6 HB2 1 1 9 2111 1 1 3 . HB3 H -7.647 -1.969 0.192 1.00 . A A . 3 PH6 HB3 1 1 9 2112 1 1 3 . HD2 H -10.282 1.053 -0.033 1.00 . A A . 3 PH6 HD2 1 1 9 2113 1 1 3 . HD3 H -9.583 1.154 -1.675 1.00 . A A . 3 PH6 HD3 1 1 9 2114 1 1 3 . HG2 H -8.763 -0.997 -1.706 1.00 . A A . 3 PH6 HG2 1 1 9 2115 1 1 3 . N N -8.180 1.266 -0.041 1.00 . A A . 3 PH6 N 1 1 9 2116 1 1 3 . O O -6.043 -0.272 -1.626 1.00 . A A . 3 PH6 O 1 1 9 2117 1 1 4 TRP C C -2.917 -1.298 -0.073 1.00 . A A . 4 TRP C 1 1 9 2118 1 1 4 TRP CA C -3.542 0.069 -0.453 1.00 . A A . 4 TRP CA 1 1 9 2119 1 1 4 TRP CB C -2.664 1.265 -0.037 1.00 . A A . 4 TRP CB 1 1 9 2120 1 1 4 TRP CD1 C -3.016 2.927 -2.032 1.00 . A A . 4 TRP CD1 1 1 9 2121 1 1 4 TRP CD2 C -3.335 3.794 -0.016 1.00 . A A . 4 TRP CD2 1 1 9 2122 1 1 4 TRP CE2 C -3.486 4.801 -1.001 1.00 . A A . 4 TRP CE2 1 1 9 2123 1 1 4 TRP CE3 C -3.571 4.084 1.351 1.00 . A A . 4 TRP CE3 1 1 9 2124 1 1 4 TRP CG C -3.008 2.621 -0.658 1.00 . A A . 4 TRP CG 1 1 9 2125 1 1 4 TRP CH2 C -4.097 6.378 0.727 1.00 . A A . 4 TRP CH2 1 1 9 2126 1 1 4 TRP CZ2 C -3.882 6.104 -0.626 1.00 . A A . 4 TRP CZ2 1 1 9 2127 1 1 4 TRP CZ3 C -3.936 5.384 1.701 1.00 . A A . 4 TRP CZ3 1 1 9 2128 1 1 4 TRP H H -4.942 0.462 1.204 1.00 . A A . 4 TRP H 1 1 9 2129 1 1 4 TRP HA H -3.643 0.112 -1.557 1.00 . A A . 4 TRP HA 1 1 9 2130 1 1 4 TRP HB2 H -2.678 1.343 1.065 1.00 . A A . 4 TRP HB2 1 1 9 2131 1 1 4 TRP HB3 H -1.611 1.040 -0.279 1.00 . A A . 4 TRP HB3 1 1 9 2132 1 1 4 TRP HD1 H -2.872 2.190 -2.803 1.00 . A A . 4 TRP HD1 1 1 9 2133 1 1 4 TRP HE1 H -3.431 4.773 -3.159 1.00 . A A . 4 TRP HE1 1 1 9 2134 1 1 4 TRP HE3 H -3.501 3.315 2.105 1.00 . A A . 4 TRP HE3 1 1 9 2135 1 1 4 TRP HH2 H -4.399 7.370 1.027 1.00 . A A . 4 TRP HH2 1 1 9 2136 1 1 4 TRP HZ2 H -4.046 6.862 -1.377 1.00 . A A . 4 TRP HZ2 1 1 9 2137 1 1 4 TRP HZ3 H -4.100 5.621 2.743 1.00 . A A . 4 TRP HZ3 1 1 9 2138 1 1 4 TRP N N -4.852 0.216 0.213 1.00 . A A . 4 TRP N 1 1 9 2139 1 1 4 TRP NE1 N -3.274 4.286 -2.271 1.00 . A A . 4 TRP NE1 1 1 9 2140 1 1 4 TRP O O -2.333 -1.462 0.997 1.00 . A A . 4 TRP O 1 1 9 2141 1 1 5 PHE C C -1.001 -3.730 -1.156 1.00 . A A . 5 PHE C 1 1 9 2142 1 1 5 PHE CA C -2.501 -3.651 -0.742 1.00 . A A . 5 PHE CA 1 1 9 2143 1 1 5 PHE CB C -3.366 -4.715 -1.484 1.00 . A A . 5 PHE CB 1 1 9 2144 1 1 5 PHE CD1 C -5.465 -4.871 -0.097 1.00 . A A . 5 PHE CD1 1 1 9 2145 1 1 5 PHE CD2 C -5.660 -4.200 -2.415 1.00 . A A . 5 PHE CD2 1 1 9 2146 1 1 5 PHE CE1 C -6.853 -4.858 0.021 1.00 . A A . 5 PHE CE1 1 1 9 2147 1 1 5 PHE CE2 C -7.049 -4.191 -2.295 1.00 . A A . 5 PHE CE2 1 1 9 2148 1 1 5 PHE CG C -4.876 -4.594 -1.328 1.00 . A A . 5 PHE CG 1 1 9 2149 1 1 5 PHE CZ C -7.625 -4.597 -1.099 1.00 . A A . 5 PHE CZ 1 1 9 2150 1 1 5 PHE H H -3.821 -2.114 -1.617 1.00 . A A . 5 PHE H 1 1 9 2151 1 1 5 PHE HA H -2.557 -3.894 0.341 1.00 . A A . 5 PHE HA 1 1 9 2152 1 1 5 PHE HB2 H -3.129 -4.736 -2.564 1.00 . A A . 5 PHE HB2 1 1 9 2153 1 1 5 PHE HB3 H -3.063 -5.724 -1.144 1.00 . A A . 5 PHE HB3 1 1 9 2154 1 1 5 PHE HD1 H -4.865 -5.119 0.764 1.00 . A A . 5 PHE HD1 1 1 9 2155 1 1 5 PHE HD2 H -5.216 -3.936 -3.363 1.00 . A A . 5 PHE HD2 1 1 9 2156 1 1 5 PHE HE1 H -7.318 -5.079 0.968 1.00 . A A . 5 PHE HE1 1 1 9 2157 1 1 5 PHE HE2 H -7.662 -3.905 -3.136 1.00 . A A . 5 PHE HE2 1 1 9 2158 1 1 5 PHE HZ H -8.682 -4.780 -1.040 1.00 . A A . 5 PHE HZ 1 1 9 2159 1 1 5 PHE N N -3.033 -2.272 -0.979 1.00 . A A . 5 PHE N 1 1 9 2160 1 1 5 PHE O O -0.098 -3.785 -0.320 1.00 . A A . 5 PHE O 1 1 9 2161 1 1 6 SER C C 1.296 -2.179 -2.860 1.00 . A A . 6 SER C 1 1 9 2162 1 1 6 SER CA C 0.593 -3.556 -3.063 1.00 . A A . 6 SER CA 1 1 9 2163 1 1 6 SER CB C 0.492 -3.924 -4.565 1.00 . A A . 6 SER CB 1 1 9 2164 1 1 6 SER H H -1.623 -3.556 -3.024 1.00 . A A . 6 SER H 1 1 9 2165 1 1 6 SER HA H 1.222 -4.321 -2.558 1.00 . A A . 6 SER HA 1 1 9 2166 1 1 6 SER HB2 H -0.446 -4.457 -4.821 1.00 . A A . 6 SER HB2 1 1 9 2167 1 1 6 SER HB3 H 0.493 -3.016 -5.200 1.00 . A A . 6 SER HB3 1 1 9 2168 1 1 6 SER HG H 1.532 -4.985 -5.842 1.00 . A A . 6 SER HG 1 1 9 2169 1 1 6 SER N N -0.763 -3.638 -2.476 1.00 . A A . 6 SER N 1 1 9 2170 1 1 6 SER O O 2.479 -2.142 -2.542 1.00 . A A . 6 SER O 1 1 9 2171 1 1 6 SER OG O 1.605 -4.743 -4.914 1.00 . A A . 6 SER OG 1 1 9 2172 1 1 7 LYS C C 1.728 0.434 -1.165 1.00 . A A . 7 LYS C 1 1 9 2173 1 1 7 LYS CA C 1.084 0.300 -2.586 1.00 . A A . 7 LYS CA 1 1 9 2174 1 1 7 LYS CB C -0.070 1.334 -2.742 1.00 . A A . 7 LYS CB 1 1 9 2175 1 1 7 LYS CD C -1.031 1.563 -5.123 1.00 . A A . 7 LYS CD 1 1 9 2176 1 1 7 LYS CE C -0.669 2.065 -6.531 1.00 . A A . 7 LYS CE 1 1 9 2177 1 1 7 LYS CG C -0.070 2.133 -4.061 1.00 . A A . 7 LYS CG 1 1 9 2178 1 1 7 LYS H H -0.422 -1.256 -3.099 1.00 . A A . 7 LYS H 1 1 9 2179 1 1 7 LYS HA H 1.908 0.553 -3.283 1.00 . A A . 7 LYS HA 1 1 9 2180 1 1 7 LYS HB2 H -1.051 0.858 -2.548 1.00 . A A . 7 LYS HB2 1 1 9 2181 1 1 7 LYS HB3 H -0.013 2.084 -1.924 1.00 . A A . 7 LYS HB3 1 1 9 2182 1 1 7 LYS HD2 H -1.018 0.453 -5.102 1.00 . A A . 7 LYS HD2 1 1 9 2183 1 1 7 LYS HD3 H -2.065 1.842 -4.833 1.00 . A A . 7 LYS HD3 1 1 9 2184 1 1 7 LYS HE2 H -0.275 3.109 -6.491 1.00 . A A . 7 LYS HE2 1 1 9 2185 1 1 7 LYS HE3 H 0.185 1.463 -6.925 1.00 . A A . 7 LYS HE3 1 1 9 2186 1 1 7 LYS HG2 H -0.362 3.181 -3.838 1.00 . A A . 7 LYS HG2 1 1 9 2187 1 1 7 LYS HG3 H 0.968 2.220 -4.442 1.00 . A A . 7 LYS HG3 1 1 9 2188 1 1 7 LYS HZ1 H -1.687 2.288 -8.384 1.00 . A A . 7 LYS HZ1 1 1 9 2189 1 1 7 LYS HZ2 H -2.256 1.034 -7.490 1.00 . A A . 7 LYS HZ2 1 1 9 2190 1 1 7 LYS HZ3 H -2.644 2.572 -7.085 1.00 . A A . 7 LYS HZ3 1 1 9 2191 1 1 7 LYS N N 0.575 -1.044 -3.001 1.00 . A A . 7 LYS N 1 1 9 2192 1 1 7 LYS NZ N -1.865 1.984 -7.416 1.00 . A A . 7 LYS NZ 1 1 9 2193 1 1 7 LYS O O 2.748 1.111 -1.020 1.00 . A A . 7 LYS O 1 1 9 2194 1 1 8 PHE C C 3.077 -1.165 1.185 1.00 . A A . 8 PHE C 1 1 9 2195 1 1 8 PHE CA C 1.759 -0.361 1.192 1.00 . A A . 8 PHE CA 1 1 9 2196 1 1 8 PHE CB C 0.710 -0.977 2.162 1.00 . A A . 8 PHE CB 1 1 9 2197 1 1 8 PHE CD1 C -0.109 -0.219 4.432 1.00 . A A . 8 PHE CD1 1 1 9 2198 1 1 8 PHE CD2 C -0.479 1.246 2.555 1.00 . A A . 8 PHE CD2 1 1 9 2199 1 1 8 PHE CE1 C -0.722 0.707 5.271 1.00 . A A . 8 PHE CE1 1 1 9 2200 1 1 8 PHE CE2 C -1.090 2.171 3.389 1.00 . A A . 8 PHE CE2 1 1 9 2201 1 1 8 PHE CG C 0.007 0.039 3.065 1.00 . A A . 8 PHE CG 1 1 9 2202 1 1 8 PHE CZ C -1.222 1.898 4.745 1.00 . A A . 8 PHE CZ 1 1 9 2203 1 1 8 PHE H H 0.380 -0.836 -0.445 1.00 . A A . 8 PHE H 1 1 9 2204 1 1 8 PHE HA H 2.050 0.645 1.558 1.00 . A A . 8 PHE HA 1 1 9 2205 1 1 8 PHE HB2 H -0.034 -1.594 1.624 1.00 . A A . 8 PHE HB2 1 1 9 2206 1 1 8 PHE HB3 H 1.198 -1.740 2.802 1.00 . A A . 8 PHE HB3 1 1 9 2207 1 1 8 PHE HD1 H 0.295 -1.131 4.852 1.00 . A A . 8 PHE HD1 1 1 9 2208 1 1 8 PHE HD2 H -0.355 1.482 1.510 1.00 . A A . 8 PHE HD2 1 1 9 2209 1 1 8 PHE HE1 H -0.794 0.505 6.329 1.00 . A A . 8 PHE HE1 1 1 9 2210 1 1 8 PHE HE2 H -1.438 3.106 2.980 1.00 . A A . 8 PHE HE2 1 1 9 2211 1 1 8 PHE HZ H -1.699 2.617 5.392 1.00 . A A . 8 PHE HZ 1 1 9 2212 1 1 8 PHE N N 1.125 -0.198 -0.146 1.00 . A A . 8 PHE N 1 1 9 2213 1 1 8 PHE O O 4.123 -0.598 1.506 1.00 . A A . 8 PHE O 1 1 9 2214 1 1 9 LEU C C 5.374 -2.549 -0.326 1.00 . A A . 9 LEU C 1 1 9 2215 1 1 9 LEU CA C 4.260 -3.240 0.516 1.00 . A A . 9 LEU CA 1 1 9 2216 1 1 9 LEU CB C 3.872 -4.625 -0.080 1.00 . A A . 9 LEU CB 1 1 9 2217 1 1 9 LEU CD1 C 3.054 -5.968 1.920 1.00 . A A . 9 LEU CD1 1 1 9 2218 1 1 9 LEU CD2 C 4.326 -7.099 0.047 1.00 . A A . 9 LEU CD2 1 1 9 2219 1 1 9 LEU CG C 4.164 -5.812 0.866 1.00 . A A . 9 LEU CG 1 1 9 2220 1 1 9 LEU H H 2.114 -2.743 0.417 1.00 . A A . 9 LEU H 1 1 9 2221 1 1 9 LEU HA H 4.715 -3.388 1.519 1.00 . A A . 9 LEU HA 1 1 9 2222 1 1 9 LEU HB2 H 2.817 -4.662 -0.416 1.00 . A A . 9 LEU HB2 1 1 9 2223 1 1 9 LEU HB3 H 4.429 -4.781 -1.026 1.00 . A A . 9 LEU HB3 1 1 9 2224 1 1 9 LEU HD11 H 3.422 -6.512 2.809 1.00 . A A . 9 LEU HD11 1 1 9 2225 1 1 9 LEU HD12 H 2.675 -4.995 2.285 1.00 . A A . 9 LEU HD12 1 1 9 2226 1 1 9 LEU HD13 H 2.181 -6.525 1.532 1.00 . A A . 9 LEU HD13 1 1 9 2227 1 1 9 LEU HD21 H 4.346 -8.003 0.682 1.00 . A A . 9 LEU HD21 1 1 9 2228 1 1 9 LEU HD22 H 3.512 -7.231 -0.691 1.00 . A A . 9 LEU HD22 1 1 9 2229 1 1 9 LEU HD23 H 5.277 -7.089 -0.520 1.00 . A A . 9 LEU HD23 1 1 9 2230 1 1 9 LEU HG H 5.127 -5.634 1.392 1.00 . A A . 9 LEU HG 1 1 9 2231 1 1 9 LEU N N 3.035 -2.436 0.749 1.00 . A A . 9 LEU N 1 1 9 2232 1 1 9 LEU O O 6.517 -2.581 0.096 1.00 . A A . 9 LEU O 1 1 9 2233 1 1 10 GLY C C 6.744 0.115 -1.454 1.00 . A A . 10 GLY C 1 1 9 2234 1 1 10 GLY CA C 6.008 -1.028 -2.198 1.00 . A A . 10 GLY CA 1 1 9 2235 1 1 10 GLY H H 4.028 -1.869 -1.603 1.00 . A A . 10 GLY H 1 1 9 2236 1 1 10 GLY HA2 H 6.767 -1.685 -2.658 1.00 . A A . 10 GLY HA2 1 1 9 2237 1 1 10 GLY HA3 H 5.474 -0.573 -3.050 1.00 . A A . 10 GLY HA3 1 1 9 2238 1 1 10 GLY N N 5.046 -1.872 -1.438 1.00 . A A . 10 GLY N 1 1 9 2239 1 1 10 GLY O O 7.954 0.269 -1.607 1.00 . A A . 10 GLY O 1 1 9 2240 1 1 11 ARG C C 7.488 1.280 1.455 1.00 . A A . 11 ARG C 1 1 9 2241 1 1 11 ARG CA C 6.647 1.885 0.289 1.00 . A A . 11 ARG CA 1 1 9 2242 1 1 11 ARG CB C 5.524 2.805 0.850 1.00 . A A . 11 ARG CB 1 1 9 2243 1 1 11 ARG CD C 5.953 5.036 -0.244 1.00 . A A . 11 ARG CD 1 1 9 2244 1 1 11 ARG CG C 4.983 3.850 -0.149 1.00 . A A . 11 ARG CG 1 1 9 2245 1 1 11 ARG CZ C 6.032 7.186 -1.496 1.00 . A A . 11 ARG CZ 1 1 9 2246 1 1 11 ARG H H 5.061 0.569 -0.521 1.00 . A A . 11 ARG H 1 1 9 2247 1 1 11 ARG HA H 7.370 2.497 -0.287 1.00 . A A . 11 ARG HA 1 1 9 2248 1 1 11 ARG HB2 H 4.696 2.178 1.238 1.00 . A A . 11 ARG HB2 1 1 9 2249 1 1 11 ARG HB3 H 5.891 3.327 1.759 1.00 . A A . 11 ARG HB3 1 1 9 2250 1 1 11 ARG HD2 H 6.005 5.529 0.752 1.00 . A A . 11 ARG HD2 1 1 9 2251 1 1 11 ARG HD3 H 6.985 4.681 -0.459 1.00 . A A . 11 ARG HD3 1 1 9 2252 1 1 11 ARG HE H 4.797 5.704 -1.978 1.00 . A A . 11 ARG HE 1 1 9 2253 1 1 11 ARG HG2 H 4.816 3.366 -1.133 1.00 . A A . 11 ARG HG2 1 1 9 2254 1 1 11 ARG HG3 H 3.984 4.189 0.188 1.00 . A A . 11 ARG HG3 1 1 9 2255 1 1 11 ARG HH11 H 7.337 8.623 -0.958 1.00 . A A . 11 ARG HH11 1 1 9 2256 1 1 11 ARG HH12 H 7.303 7.058 -0.017 1.00 . A A . 11 ARG HH12 1 1 9 2257 1 1 11 ARG HH21 H 5.991 8.822 -2.602 1.00 . A A . 11 ARG HH21 1 1 9 2258 1 1 11 ARG HH22 H 4.843 7.474 -3.045 1.00 . A A . 11 ARG HH22 1 1 9 2259 1 1 11 ARG N N 6.021 0.909 -0.653 1.00 . A A . 11 ARG N 1 1 9 2260 1 1 11 ARG NE N 5.512 5.981 -1.300 1.00 . A A . 11 ARG NE 1 1 9 2261 1 1 11 ARG NH1 N 6.980 7.690 -0.754 1.00 . A A . 11 ARG NH1 1 1 9 2262 1 1 11 ARG NH2 N 5.574 7.898 -2.472 1.00 . A A . 11 ARG NH2 1 1 9 2263 1 1 11 ARG O O 8.645 1.663 1.633 1.00 . A A . 11 ARG O 1 1 9 2264 1 1 12 ILE C C 8.828 -1.266 2.801 1.00 . A A . 12 ILE C 1 1 9 2265 1 1 12 ILE CA C 7.619 -0.391 3.314 1.00 . A A . 12 ILE CA 1 1 9 2266 1 1 12 ILE CB C 6.601 -1.236 4.171 1.00 . A A . 12 ILE CB 1 1 9 2267 1 1 12 ILE CD1 C 4.255 -1.341 5.343 1.00 . A A . 12 ILE CD1 1 1 9 2268 1 1 12 ILE CG1 C 5.314 -0.477 4.631 1.00 . A A . 12 ILE CG1 1 1 9 2269 1 1 12 ILE CG2 C 7.295 -1.901 5.400 1.00 . A A . 12 ILE CG2 1 1 9 2270 1 1 12 ILE H H 5.959 0.088 1.927 1.00 . A A . 12 ILE H 1 1 9 2271 1 1 12 ILE HA H 8.066 0.360 3.996 1.00 . A A . 12 ILE HA 1 1 9 2272 1 1 12 ILE HB H 6.253 -2.053 3.504 1.00 . A A . 12 ILE HB 1 1 9 2273 1 1 12 ILE HD11 H 4.382 -1.290 6.441 1.00 . A A . 12 ILE HD11 1 1 9 2274 1 1 12 ILE HD12 H 3.226 -1.010 5.114 1.00 . A A . 12 ILE HD12 1 1 9 2275 1 1 12 ILE HD13 H 4.327 -2.408 5.060 1.00 . A A . 12 ILE HD13 1 1 9 2276 1 1 12 ILE HG12 H 5.586 0.395 5.254 1.00 . A A . 12 ILE HG12 1 1 9 2277 1 1 12 ILE HG13 H 4.817 -0.031 3.753 1.00 . A A . 12 ILE HG13 1 1 9 2278 1 1 12 ILE HG21 H 6.794 -1.699 6.364 1.00 . A A . 12 ILE HG21 1 1 9 2279 1 1 12 ILE HG22 H 7.334 -3.000 5.284 1.00 . A A . 12 ILE HG22 1 1 9 2280 1 1 12 ILE HG23 H 8.342 -1.573 5.545 1.00 . A A . 12 ILE HG23 1 1 9 2281 1 1 12 ILE N N 6.900 0.365 2.238 1.00 . A A . 12 ILE N 1 1 9 2282 1 1 12 ILE O O 9.829 -1.382 3.508 1.00 . A A . 12 ILE O 1 1 9 2283 1 1 13 LEU C C 11.250 -1.756 0.905 1.00 . A A . 13 LEU C 1 1 9 2284 1 1 13 LEU CA C 9.881 -2.519 0.889 1.00 . A A . 13 LEU CA 1 1 9 2285 1 1 13 LEU CB C 9.428 -2.830 -0.581 1.00 . A A . 13 LEU CB 1 1 9 2286 1 1 13 LEU CD1 C 8.267 -4.311 -2.296 1.00 . A A . 13 LEU CD1 1 1 9 2287 1 1 13 LEU CD2 C 10.089 -5.258 -0.808 1.00 . A A . 13 LEU CD2 1 1 9 2288 1 1 13 LEU CG C 8.923 -4.261 -0.895 1.00 . A A . 13 LEU CG 1 1 9 2289 1 1 13 LEU H H 7.856 -1.680 1.107 1.00 . A A . 13 LEU H 1 1 9 2290 1 1 13 LEU HA H 10.056 -3.470 1.428 1.00 . A A . 13 LEU HA 1 1 9 2291 1 1 13 LEU HB2 H 8.670 -2.094 -0.905 1.00 . A A . 13 LEU HB2 1 1 9 2292 1 1 13 LEU HB3 H 10.251 -2.617 -1.290 1.00 . A A . 13 LEU HB3 1 1 9 2293 1 1 13 LEU HD11 H 8.605 -5.165 -2.911 1.00 . A A . 13 LEU HD11 1 1 9 2294 1 1 13 LEU HD12 H 7.168 -4.401 -2.213 1.00 . A A . 13 LEU HD12 1 1 9 2295 1 1 13 LEU HD13 H 8.460 -3.405 -2.900 1.00 . A A . 13 LEU HD13 1 1 9 2296 1 1 13 LEU HD21 H 9.792 -6.277 -1.117 1.00 . A A . 13 LEU HD21 1 1 9 2297 1 1 13 LEU HD22 H 10.940 -4.953 -1.446 1.00 . A A . 13 LEU HD22 1 1 9 2298 1 1 13 LEU HD23 H 10.476 -5.344 0.224 1.00 . A A . 13 LEU HD23 1 1 9 2299 1 1 13 LEU HG H 8.158 -4.552 -0.146 1.00 . A A . 13 LEU HG 1 1 9 2300 1 1 13 LEU N N 8.751 -1.842 1.587 1.00 . A A . 13 LEU N 1 1 9 2301 1 1 13 LEU O O 12.251 -2.233 1.428 1.00 . A A . 13 LEU O 1 1 9 2302 1 1 14 NH2 HN1 H 10.444 -0.148 0.098 1.00 . A A . 14 NH2 HN1 1 1 9 2303 1 1 14 NH2 HN2 H 12.213 -0.084 0.607 1.00 . A A . 14 NH2 HN2 1 1 9 2304 1 1 14 NH2 N N 11.346 -0.561 0.354 1.00 . A A . 14 NH2 N 1 1 10 2305 1 1 1 PHE C C -9.711 4.915 1.217 1.00 . A A . 1 PHE C 1 1 10 2306 1 1 1 PHE CA C -9.711 6.049 2.287 1.00 . A A . 1 PHE CA 1 1 10 2307 1 1 1 PHE CB C -9.280 5.546 3.698 1.00 . A A . 1 PHE CB 1 1 10 2308 1 1 1 PHE CD1 C -9.590 3.054 4.202 1.00 . A A . 1 PHE CD1 1 1 10 2309 1 1 1 PHE CD2 C -11.345 4.585 4.844 1.00 . A A . 1 PHE CD2 1 1 10 2310 1 1 1 PHE CE1 C -10.360 1.987 4.653 1.00 . A A . 1 PHE CE1 1 1 10 2311 1 1 1 PHE CE2 C -12.119 3.516 5.277 1.00 . A A . 1 PHE CE2 1 1 10 2312 1 1 1 PHE CG C -10.078 4.365 4.291 1.00 . A A . 1 PHE CG 1 1 10 2313 1 1 1 PHE CZ C -11.627 2.217 5.187 1.00 . A A . 1 PHE CZ 1 1 10 2314 1 1 1 PHE H1 H -11.093 7.494 3.007 1.00 . A A . 1 PHE H1 1 1 10 2315 1 1 1 PHE H2 H -11.364 7.040 1.424 1.00 . A A . 1 PHE H2 1 1 10 2316 1 1 1 PHE H3 H -11.744 6.018 2.637 1.00 . A A . 1 PHE H3 1 1 10 2317 1 1 1 PHE HA H -8.967 6.808 1.967 1.00 . A A . 1 PHE HA 1 1 10 2318 1 1 1 PHE HB2 H -8.211 5.254 3.645 1.00 . A A . 1 PHE HB2 1 1 10 2319 1 1 1 PHE HB3 H -9.268 6.384 4.421 1.00 . A A . 1 PHE HB3 1 1 10 2320 1 1 1 PHE HD1 H -8.621 2.849 3.765 1.00 . A A . 1 PHE HD1 1 1 10 2321 1 1 1 PHE HD2 H -11.749 5.584 4.927 1.00 . A A . 1 PHE HD2 1 1 10 2322 1 1 1 PHE HE1 H -9.983 0.974 4.588 1.00 . A A . 1 PHE HE1 1 1 10 2323 1 1 1 PHE HE2 H -13.107 3.690 5.683 1.00 . A A . 1 PHE HE2 1 1 10 2324 1 1 1 PHE HZ H -12.227 1.389 5.536 1.00 . A A . 1 PHE HZ 1 1 10 2325 1 1 1 PHE N N -11.043 6.714 2.344 1.00 . A A . 1 PHE N 1 1 10 2326 1 1 1 PHE O O -10.710 4.204 1.080 1.00 . A A . 1 PHE O 1 1 10 2327 1 1 2 VAL C C -7.702 2.381 0.232 1.00 . A A . 2 VAL C 1 1 10 2328 1 1 2 VAL CA C -8.464 3.589 -0.451 1.00 . A A . 2 VAL CA 1 1 10 2329 1 1 2 VAL CB C -7.862 4.075 -1.809 1.00 . A A . 2 VAL CB 1 1 10 2330 1 1 2 VAL CG1 C -6.347 4.327 -1.757 1.00 . A A . 2 VAL CG1 1 1 10 2331 1 1 2 VAL CG2 C -8.153 3.099 -2.970 1.00 . A A . 2 VAL CG2 1 1 10 2332 1 1 2 VAL H H -7.774 5.272 0.751 1.00 . A A . 2 VAL H 1 1 10 2333 1 1 2 VAL HA H -9.484 3.255 -0.717 1.00 . A A . 2 VAL HA 1 1 10 2334 1 1 2 VAL HB H -8.358 5.028 -2.081 1.00 . A A . 2 VAL HB 1 1 10 2335 1 1 2 VAL HG11 H -5.973 4.820 -2.670 1.00 . A A . 2 VAL HG11 1 1 10 2336 1 1 2 VAL HG12 H -6.054 4.951 -0.893 1.00 . A A . 2 VAL HG12 1 1 10 2337 1 1 2 VAL HG13 H -5.794 3.373 -1.646 1.00 . A A . 2 VAL HG13 1 1 10 2338 1 1 2 VAL HG21 H -7.679 2.109 -2.814 1.00 . A A . 2 VAL HG21 1 1 10 2339 1 1 2 VAL HG22 H -9.239 2.921 -3.094 1.00 . A A . 2 VAL HG22 1 1 10 2340 1 1 2 VAL HG23 H -7.791 3.477 -3.943 1.00 . A A . 2 VAL HG23 1 1 10 2341 1 1 2 VAL N N -8.607 4.740 0.481 1.00 . A A . 2 VAL N 1 1 10 2342 1 1 2 VAL O O -6.692 2.610 0.912 1.00 . A A . 2 VAL O 1 1 10 2343 1 1 3 . C C -6.098 -0.346 -0.399 1.00 . A A . 3 PH6 C 1 1 10 2344 1 1 3 . C1 C -12.919 -1.556 1.046 1.00 . A A . 3 PH6 C1 1 1 10 2345 1 1 3 . C2 C -11.498 -0.994 0.910 1.00 . A A . 3 PH6 C2 1 1 10 2346 1 1 3 . C3 C -10.847 -1.344 -0.473 1.00 . A A . 3 PH6 C3 1 1 10 2347 1 1 3 . C4 C -11.775 -0.893 -1.648 1.00 . A A . 3 PH6 C4 1 1 10 2348 1 1 3 . C5 C -13.210 -1.441 -1.490 1.00 . A A . 3 PH6 C5 1 1 10 2349 1 1 3 . C6 C -13.805 -1.051 -0.115 1.00 . A A . 3 PH6 C6 1 1 10 2350 1 1 3 . CA C -7.344 -0.085 0.490 1.00 . A A . 3 PH6 CA 1 1 10 2351 1 1 3 . CB C -8.385 -1.209 0.414 1.00 . A A . 3 PH6 CB 1 1 10 2352 1 1 3 . CD C -9.370 0.756 -0.624 1.00 . A A . 3 PH6 CD 1 1 10 2353 1 1 3 . CG C -9.417 -0.772 -0.643 1.00 . A A . 3 PH6 CG 1 1 10 2354 1 1 3 . H1 H -12.876 -2.663 1.052 1.00 . A A . 3 PH6 H1 1 1 10 2355 1 1 3 . H21 H -11.552 0.099 1.065 1.00 . A A . 3 PH6 H21 1 1 10 2356 1 1 3 . H22 H -13.342 -1.262 2.024 1.00 . A A . 3 PH6 H22 1 1 10 2357 1 1 3 . H31 H -10.757 -2.447 -0.534 1.00 . A A . 3 PH6 H31 1 1 10 2358 1 1 3 . H32 H -10.890 -1.369 1.751 1.00 . A A . 3 PH6 H32 1 1 10 2359 1 1 3 . H41 H -11.354 -1.206 -2.623 1.00 . A A . 3 PH6 H41 1 1 10 2360 1 1 3 . H42 H -11.828 0.212 -1.700 1.00 . A A . 3 PH6 H42 1 1 10 2361 1 1 3 . H51 H -13.855 -1.071 -2.309 1.00 . A A . 3 PH6 H51 1 1 10 2362 1 1 3 . H52 H -13.195 -2.543 -1.595 1.00 . A A . 3 PH6 H52 1 1 10 2363 1 1 3 . H61 H -14.829 -1.452 -0.008 1.00 . A A . 3 PH6 H61 1 1 10 2364 1 1 3 . H62 H -13.906 0.051 -0.051 1.00 . A A . 3 PH6 H62 1 1 10 2365 1 1 3 . HA H -7.037 0.022 1.551 1.00 . A A . 3 PH6 HA 1 1 10 2366 1 1 3 . HB2 H -8.828 -1.347 1.413 1.00 . A A . 3 PH6 HB2 1 1 10 2367 1 1 3 . HB3 H -7.937 -2.186 0.165 1.00 . A A . 3 PH6 HB3 1 1 10 2368 1 1 3 . HD2 H -10.208 1.209 -0.066 1.00 . A A . 3 PH6 HD2 1 1 10 2369 1 1 3 . HD3 H -9.440 1.139 -1.656 1.00 . A A . 3 PH6 HD3 1 1 10 2370 1 1 3 . HG2 H -9.019 -1.097 -1.628 1.00 . A A . 3 PH6 HG2 1 1 10 2371 1 1 3 . N N -8.112 1.100 0.040 1.00 . A A . 3 PH6 N 1 1 10 2372 1 1 3 . O O -6.142 -0.987 -1.455 1.00 . A A . 3 PH6 O 1 1 10 2373 1 1 4 TRP C C -3.076 -1.406 -0.188 1.00 . A A . 4 TRP C 1 1 10 2374 1 1 4 TRP CA C -3.673 -0.039 -0.614 1.00 . A A . 4 TRP CA 1 1 10 2375 1 1 4 TRP CB C -2.758 1.173 -0.314 1.00 . A A . 4 TRP CB 1 1 10 2376 1 1 4 TRP CD1 C -3.209 2.385 -2.637 1.00 . A A . 4 TRP CD1 1 1 10 2377 1 1 4 TRP CD2 C -2.853 3.723 -0.896 1.00 . A A . 4 TRP CD2 1 1 10 2378 1 1 4 TRP CE2 C -3.038 4.497 -2.074 1.00 . A A . 4 TRP CE2 1 1 10 2379 1 1 4 TRP CE3 C -2.652 4.356 0.356 1.00 . A A . 4 TRP CE3 1 1 10 2380 1 1 4 TRP CG C -2.955 2.391 -1.238 1.00 . A A . 4 TRP CG 1 1 10 2381 1 1 4 TRP CH2 C -2.863 6.514 -0.755 1.00 . A A . 4 TRP CH2 1 1 10 2382 1 1 4 TRP CZ2 C -3.057 5.906 -1.998 1.00 . A A . 4 TRP CZ2 1 1 10 2383 1 1 4 TRP CZ3 C -2.658 5.750 0.402 1.00 . A A . 4 TRP CZ3 1 1 10 2384 1 1 4 TRP H H -5.085 0.773 0.889 1.00 . A A . 4 TRP H 1 1 10 2385 1 1 4 TRP HA H -3.842 -0.076 -1.710 1.00 . A A . 4 TRP HA 1 1 10 2386 1 1 4 TRP HB2 H -2.860 1.465 0.750 1.00 . A A . 4 TRP HB2 1 1 10 2387 1 1 4 TRP HB3 H -1.702 0.860 -0.378 1.00 . A A . 4 TRP HB3 1 1 10 2388 1 1 4 TRP HD1 H -3.336 1.490 -3.232 1.00 . A A . 4 TRP HD1 1 1 10 2389 1 1 4 TRP HE1 H -3.547 3.957 -4.117 1.00 . A A . 4 TRP HE1 1 1 10 2390 1 1 4 TRP HE3 H -2.528 3.775 1.260 1.00 . A A . 4 TRP HE3 1 1 10 2391 1 1 4 TRP HH2 H -2.900 7.592 -0.680 1.00 . A A . 4 TRP HH2 1 1 10 2392 1 1 4 TRP HZ2 H -3.255 6.496 -2.880 1.00 . A A . 4 TRP HZ2 1 1 10 2393 1 1 4 TRP HZ3 H -2.525 6.245 1.354 1.00 . A A . 4 TRP HZ3 1 1 10 2394 1 1 4 TRP N N -4.967 0.188 0.054 1.00 . A A . 4 TRP N 1 1 10 2395 1 1 4 TRP NE1 N -3.235 3.684 -3.177 1.00 . A A . 4 TRP NE1 1 1 10 2396 1 1 4 TRP O O -2.655 -1.593 0.953 1.00 . A A . 4 TRP O 1 1 10 2397 1 1 5 PHE C C -1.023 -3.778 -1.266 1.00 . A A . 5 PHE C 1 1 10 2398 1 1 5 PHE CA C -2.537 -3.728 -0.882 1.00 . A A . 5 PHE CA 1 1 10 2399 1 1 5 PHE CB C -3.407 -4.792 -1.634 1.00 . A A . 5 PHE CB 1 1 10 2400 1 1 5 PHE CD1 C -5.576 -4.987 -0.318 1.00 . A A . 5 PHE CD1 1 1 10 2401 1 1 5 PHE CD2 C -5.685 -4.225 -2.609 1.00 . A A . 5 PHE CD2 1 1 10 2402 1 1 5 PHE CE1 C -6.955 -4.858 -0.216 1.00 . A A . 5 PHE CE1 1 1 10 2403 1 1 5 PHE CE2 C -7.063 -4.094 -2.504 1.00 . A A . 5 PHE CE2 1 1 10 2404 1 1 5 PHE CG C -4.931 -4.680 -1.521 1.00 . A A . 5 PHE CG 1 1 10 2405 1 1 5 PHE CZ C -7.703 -4.422 -1.308 1.00 . A A . 5 PHE CZ 1 1 10 2406 1 1 5 PHE H H -3.739 -2.173 -1.876 1.00 . A A . 5 PHE H 1 1 10 2407 1 1 5 PHE HA H -2.607 -3.969 0.200 1.00 . A A . 5 PHE HA 1 1 10 2408 1 1 5 PHE HB2 H -3.143 -4.813 -2.707 1.00 . A A . 5 PHE HB2 1 1 10 2409 1 1 5 PHE HB3 H -3.101 -5.797 -1.285 1.00 . A A . 5 PHE HB3 1 1 10 2410 1 1 5 PHE HD1 H -5.001 -5.312 0.537 1.00 . A A . 5 PHE HD1 1 1 10 2411 1 1 5 PHE HD2 H -5.202 -3.960 -3.541 1.00 . A A . 5 PHE HD2 1 1 10 2412 1 1 5 PHE HE1 H -7.447 -5.087 0.721 1.00 . A A . 5 PHE HE1 1 1 10 2413 1 1 5 PHE HE2 H -7.639 -3.731 -3.343 1.00 . A A . 5 PHE HE2 1 1 10 2414 1 1 5 PHE HZ H -8.772 -4.312 -1.224 1.00 . A A . 5 PHE HZ 1 1 10 2415 1 1 5 PHE N N -3.054 -2.351 -1.133 1.00 . A A . 5 PHE N 1 1 10 2416 1 1 5 PHE O O -0.136 -3.749 -0.409 1.00 . A A . 5 PHE O 1 1 10 2417 1 1 6 SER C C 1.319 -2.289 -2.975 1.00 . A A . 6 SER C 1 1 10 2418 1 1 6 SER CA C 0.624 -3.673 -3.142 1.00 . A A . 6 SER CA 1 1 10 2419 1 1 6 SER CB C 0.565 -4.051 -4.640 1.00 . A A . 6 SER CB 1 1 10 2420 1 1 6 SER H H -1.589 -3.713 -3.164 1.00 . A A . 6 SER H 1 1 10 2421 1 1 6 SER HA H 1.254 -4.425 -2.624 1.00 . A A . 6 SER HA 1 1 10 2422 1 1 6 SER HB2 H 0.027 -3.281 -5.228 1.00 . A A . 6 SER HB2 1 1 10 2423 1 1 6 SER HB3 H 1.596 -4.066 -5.045 1.00 . A A . 6 SER HB3 1 1 10 2424 1 1 6 SER HG H -0.878 -5.217 -5.271 1.00 . A A . 6 SER HG 1 1 10 2425 1 1 6 SER N N -0.749 -3.739 -2.581 1.00 . A A . 6 SER N 1 1 10 2426 1 1 6 SER O O 2.496 -2.241 -2.630 1.00 . A A . 6 SER O 1 1 10 2427 1 1 6 SER OG O -0.019 -5.338 -4.853 1.00 . A A . 6 SER OG 1 1 10 2428 1 1 7 LYS C C 1.707 0.383 -1.374 1.00 . A A . 7 LYS C 1 1 10 2429 1 1 7 LYS CA C 1.127 0.192 -2.820 1.00 . A A . 7 LYS CA 1 1 10 2430 1 1 7 LYS CB C -0.026 1.196 -3.063 1.00 . A A . 7 LYS CB 1 1 10 2431 1 1 7 LYS CD C 1.236 3.155 -4.101 1.00 . A A . 7 LYS CD 1 1 10 2432 1 1 7 LYS CE C 1.082 4.645 -4.428 1.00 . A A . 7 LYS CE 1 1 10 2433 1 1 7 LYS CG C 0.360 2.688 -2.919 1.00 . A A . 7 LYS CG 1 1 10 2434 1 1 7 LYS H H -0.381 -1.357 -3.361 1.00 . A A . 7 LYS H 1 1 10 2435 1 1 7 LYS HA H 1.948 0.416 -3.528 1.00 . A A . 7 LYS HA 1 1 10 2436 1 1 7 LYS HB2 H -0.507 1.033 -4.049 1.00 . A A . 7 LYS HB2 1 1 10 2437 1 1 7 LYS HB3 H -0.829 0.963 -2.345 1.00 . A A . 7 LYS HB3 1 1 10 2438 1 1 7 LYS HD2 H 2.292 2.850 -3.935 1.00 . A A . 7 LYS HD2 1 1 10 2439 1 1 7 LYS HD3 H 0.947 2.590 -5.011 1.00 . A A . 7 LYS HD3 1 1 10 2440 1 1 7 LYS HE2 H 1.391 4.831 -5.483 1.00 . A A . 7 LYS HE2 1 1 10 2441 1 1 7 LYS HE3 H 0.003 4.936 -4.398 1.00 . A A . 7 LYS HE3 1 1 10 2442 1 1 7 LYS HG2 H -0.567 3.283 -2.848 1.00 . A A . 7 LYS HG2 1 1 10 2443 1 1 7 LYS HG3 H 0.861 2.871 -1.946 1.00 . A A . 7 LYS HG3 1 1 10 2444 1 1 7 LYS HZ1 H 1.826 6.441 -3.633 1.00 . A A . 7 LYS HZ1 1 1 10 2445 1 1 7 LYS HZ2 H 1.613 5.218 -2.507 1.00 . A A . 7 LYS HZ2 1 1 10 2446 1 1 7 LYS HZ3 H 2.898 5.173 -3.555 1.00 . A A . 7 LYS HZ3 1 1 10 2447 1 1 7 LYS N N 0.607 -1.160 -3.174 1.00 . A A . 7 LYS N 1 1 10 2448 1 1 7 LYS NZ N 1.902 5.428 -3.472 1.00 . A A . 7 LYS NZ 1 1 10 2449 1 1 7 LYS O O 2.709 1.084 -1.205 1.00 . A A . 7 LYS O 1 1 10 2450 1 1 8 PHE C C 2.924 -1.075 1.118 1.00 . A A . 8 PHE C 1 1 10 2451 1 1 8 PHE CA C 1.591 -0.291 1.016 1.00 . A A . 8 PHE CA 1 1 10 2452 1 1 8 PHE CB C 0.483 -0.885 1.938 1.00 . A A . 8 PHE CB 1 1 10 2453 1 1 8 PHE CD1 C -0.448 1.288 2.848 1.00 . A A . 8 PHE CD1 1 1 10 2454 1 1 8 PHE CD2 C 0.355 -0.370 4.410 1.00 . A A . 8 PHE CD2 1 1 10 2455 1 1 8 PHE CE1 C -0.730 2.148 3.901 1.00 . A A . 8 PHE CE1 1 1 10 2456 1 1 8 PHE CE2 C 0.072 0.489 5.463 1.00 . A A . 8 PHE CE2 1 1 10 2457 1 1 8 PHE CG C 0.105 0.029 3.094 1.00 . A A . 8 PHE CG 1 1 10 2458 1 1 8 PHE CZ C -0.470 1.747 5.213 1.00 . A A . 8 PHE CZ 1 1 10 2459 1 1 8 PHE H H 0.334 -0.864 -0.678 1.00 . A A . 8 PHE H 1 1 10 2460 1 1 8 PHE HA H 1.841 0.739 1.341 1.00 . A A . 8 PHE HA 1 1 10 2461 1 1 8 PHE HB2 H -0.431 -1.143 1.384 1.00 . A A . 8 PHE HB2 1 1 10 2462 1 1 8 PHE HB3 H 0.783 -1.881 2.323 1.00 . A A . 8 PHE HB3 1 1 10 2463 1 1 8 PHE HD1 H -0.624 1.608 1.829 1.00 . A A . 8 PHE HD1 1 1 10 2464 1 1 8 PHE HD2 H 0.788 -1.341 4.613 1.00 . A A . 8 PHE HD2 1 1 10 2465 1 1 8 PHE HE1 H -1.141 3.126 3.705 1.00 . A A . 8 PHE HE1 1 1 10 2466 1 1 8 PHE HE2 H 0.281 0.175 6.478 1.00 . A A . 8 PHE HE2 1 1 10 2467 1 1 8 PHE HZ H -0.690 2.409 6.036 1.00 . A A . 8 PHE HZ 1 1 10 2468 1 1 8 PHE N N 1.042 -0.191 -0.360 1.00 . A A . 8 PHE N 1 1 10 2469 1 1 8 PHE O O 3.947 -0.476 1.458 1.00 . A A . 8 PHE O 1 1 10 2470 1 1 9 LEU C C 5.301 -2.491 -0.255 1.00 . A A . 9 LEU C 1 1 10 2471 1 1 9 LEU CA C 4.160 -3.160 0.565 1.00 . A A . 9 LEU CA 1 1 10 2472 1 1 9 LEU CB C 3.789 -4.571 0.013 1.00 . A A . 9 LEU CB 1 1 10 2473 1 1 9 LEU CD1 C 3.074 -5.721 2.184 1.00 . A A . 9 LEU CD1 1 1 10 2474 1 1 9 LEU CD2 C 4.018 -7.064 0.263 1.00 . A A . 9 LEU CD2 1 1 10 2475 1 1 9 LEU CG C 4.069 -5.721 1.005 1.00 . A A . 9 LEU CG 1 1 10 2476 1 1 9 LEU H H 2.018 -2.696 0.365 1.00 . A A . 9 LEU H 1 1 10 2477 1 1 9 LEU HA H 4.580 -3.272 1.587 1.00 . A A . 9 LEU HA 1 1 10 2478 1 1 9 LEU HB2 H 2.740 -4.630 -0.340 1.00 . A A . 9 LEU HB2 1 1 10 2479 1 1 9 LEU HB3 H 4.371 -4.763 -0.911 1.00 . A A . 9 LEU HB3 1 1 10 2480 1 1 9 LEU HD11 H 2.167 -6.321 1.979 1.00 . A A . 9 LEU HD11 1 1 10 2481 1 1 9 LEU HD12 H 3.538 -6.135 3.098 1.00 . A A . 9 LEU HD12 1 1 10 2482 1 1 9 LEU HD13 H 2.721 -4.708 2.450 1.00 . A A . 9 LEU HD13 1 1 10 2483 1 1 9 LEU HD21 H 4.725 -7.089 -0.589 1.00 . A A . 9 LEU HD21 1 1 10 2484 1 1 9 LEU HD22 H 4.291 -7.908 0.923 1.00 . A A . 9 LEU HD22 1 1 10 2485 1 1 9 LEU HD23 H 3.012 -7.275 -0.146 1.00 . A A . 9 LEU HD23 1 1 10 2486 1 1 9 LEU HG H 5.098 -5.595 1.405 1.00 . A A . 9 LEU HG 1 1 10 2487 1 1 9 LEU N N 2.920 -2.359 0.721 1.00 . A A . 9 LEU N 1 1 10 2488 1 1 9 LEU O O 6.424 -2.488 0.219 1.00 . A A . 9 LEU O 1 1 10 2489 1 1 10 GLY C C 6.714 0.126 -1.441 1.00 . A A . 10 GLY C 1 1 10 2490 1 1 10 GLY CA C 6.007 -1.048 -2.164 1.00 . A A . 10 GLY CA 1 1 10 2491 1 1 10 GLY H H 4.009 -1.898 -1.630 1.00 . A A . 10 GLY H 1 1 10 2492 1 1 10 GLY HA2 H 6.785 -1.720 -2.569 1.00 . A A . 10 GLY HA2 1 1 10 2493 1 1 10 GLY HA3 H 5.507 -0.631 -3.055 1.00 . A A . 10 GLY HA3 1 1 10 2494 1 1 10 GLY N N 5.016 -1.863 -1.407 1.00 . A A . 10 GLY N 1 1 10 2495 1 1 10 GLY O O 7.928 0.285 -1.559 1.00 . A A . 10 GLY O 1 1 10 2496 1 1 11 ARG C C 7.337 1.402 1.454 1.00 . A A . 11 ARG C 1 1 10 2497 1 1 11 ARG CA C 6.546 1.961 0.228 1.00 . A A . 11 ARG CA 1 1 10 2498 1 1 11 ARG CB C 5.389 2.865 0.728 1.00 . A A . 11 ARG CB 1 1 10 2499 1 1 11 ARG CD C 5.319 5.241 -0.173 1.00 . A A . 11 ARG CD 1 1 10 2500 1 1 11 ARG CG C 4.761 3.816 -0.318 1.00 . A A . 11 ARG CG 1 1 10 2501 1 1 11 ARG CZ C 4.468 7.546 -0.602 1.00 . A A . 11 ARG CZ 1 1 10 2502 1 1 11 ARG H H 5.010 0.575 -0.566 1.00 . A A . 11 ARG H 1 1 10 2503 1 1 11 ARG HA H 7.272 2.581 -0.338 1.00 . A A . 11 ARG HA 1 1 10 2504 1 1 11 ARG HB2 H 4.601 2.222 1.173 1.00 . A A . 11 ARG HB2 1 1 10 2505 1 1 11 ARG HB3 H 5.747 3.438 1.609 1.00 . A A . 11 ARG HB3 1 1 10 2506 1 1 11 ARG HD2 H 5.488 5.470 0.902 1.00 . A A . 11 ARG HD2 1 1 10 2507 1 1 11 ARG HD3 H 6.323 5.297 -0.650 1.00 . A A . 11 ARG HD3 1 1 10 2508 1 1 11 ARG HE H 3.494 5.905 -1.151 1.00 . A A . 11 ARG HE 1 1 10 2509 1 1 11 ARG HG2 H 4.939 3.426 -1.343 1.00 . A A . 11 ARG HG2 1 1 10 2510 1 1 11 ARG HG3 H 3.664 3.770 -0.180 1.00 . A A . 11 ARG HG3 1 1 10 2511 1 1 11 ARG HH11 H 5.463 9.143 0.114 1.00 . A A . 11 ARG HH11 1 1 10 2512 1 1 11 ARG HH12 H 6.149 7.475 0.397 1.00 . A A . 11 ARG HH12 1 1 10 2513 1 1 11 ARG HH21 H 3.650 9.305 -0.950 1.00 . A A . 11 ARG HH21 1 1 10 2514 1 1 11 ARG HH22 H 2.730 7.846 -1.517 1.00 . A A . 11 ARG HH22 1 1 10 2515 1 1 11 ARG N N 5.959 0.946 -0.699 1.00 . A A . 11 ARG N 1 1 10 2516 1 1 11 ARG NE N 4.369 6.228 -0.750 1.00 . A A . 11 ARG NE 1 1 10 2517 1 1 11 ARG NH1 N 5.458 8.126 0.012 1.00 . A A . 11 ARG NH1 1 1 10 2518 1 1 11 ARG NH2 N 3.530 8.297 -1.086 1.00 . A A . 11 ARG NH2 1 1 10 2519 1 1 11 ARG O O 8.472 1.818 1.683 1.00 . A A . 11 ARG O 1 1 10 2520 1 1 12 ILE C C 8.638 -1.085 2.947 1.00 . A A . 12 ILE C 1 1 10 2521 1 1 12 ILE CA C 7.402 -0.202 3.379 1.00 . A A . 12 ILE CA 1 1 10 2522 1 1 12 ILE CB C 6.358 -1.022 4.229 1.00 . A A . 12 ILE CB 1 1 10 2523 1 1 12 ILE CD1 C 3.980 -1.103 5.323 1.00 . A A . 12 ILE CD1 1 1 10 2524 1 1 12 ILE CG1 C 5.052 -0.256 4.614 1.00 . A A . 12 ILE CG1 1 1 10 2525 1 1 12 ILE CG2 C 7.006 -1.637 5.509 1.00 . A A . 12 ILE CG2 1 1 10 2526 1 1 12 ILE H H 5.803 0.198 1.902 1.00 . A A . 12 ILE H 1 1 10 2527 1 1 12 ILE HA H 7.816 0.578 4.050 1.00 . A A . 12 ILE HA 1 1 10 2528 1 1 12 ILE HB H 6.039 -1.866 3.582 1.00 . A A . 12 ILE HB 1 1 10 2529 1 1 12 ILE HD11 H 3.965 -2.149 4.961 1.00 . A A . 12 ILE HD11 1 1 10 2530 1 1 12 ILE HD12 H 4.153 -1.136 6.414 1.00 . A A . 12 ILE HD12 1 1 10 2531 1 1 12 ILE HD13 H 2.973 -0.685 5.171 1.00 . A A . 12 ILE HD13 1 1 10 2532 1 1 12 ILE HG12 H 5.294 0.641 5.215 1.00 . A A . 12 ILE HG12 1 1 10 2533 1 1 12 ILE HG13 H 4.580 0.150 3.702 1.00 . A A . 12 ILE HG13 1 1 10 2534 1 1 12 ILE HG21 H 7.053 -2.739 5.436 1.00 . A A . 12 ILE HG21 1 1 10 2535 1 1 12 ILE HG22 H 8.045 -1.299 5.682 1.00 . A A . 12 ILE HG22 1 1 10 2536 1 1 12 ILE HG23 H 6.471 -1.403 6.446 1.00 . A A . 12 ILE HG23 1 1 10 2537 1 1 12 ILE N N 6.722 0.507 2.245 1.00 . A A . 12 ILE N 1 1 10 2538 1 1 12 ILE O O 9.602 -1.178 3.705 1.00 . A A . 12 ILE O 1 1 10 2539 1 1 13 LEU C C 11.141 -1.642 1.181 1.00 . A A . 13 LEU C 1 1 10 2540 1 1 13 LEU CA C 9.772 -2.403 1.122 1.00 . A A . 13 LEU CA 1 1 10 2541 1 1 13 LEU CB C 9.364 -2.767 -0.353 1.00 . A A . 13 LEU CB 1 1 10 2542 1 1 13 LEU CD1 C 8.144 -4.314 -1.971 1.00 . A A . 13 LEU CD1 1 1 10 2543 1 1 13 LEU CD2 C 10.082 -5.175 -0.589 1.00 . A A . 13 LEU CD2 1 1 10 2544 1 1 13 LEU CG C 8.882 -4.214 -0.615 1.00 . A A . 13 LEU CG 1 1 10 2545 1 1 13 LEU H H 7.740 -1.560 1.229 1.00 . A A . 13 LEU H 1 1 10 2546 1 1 13 LEU HA H 9.918 -3.337 1.699 1.00 . A A . 13 LEU HA 1 1 10 2547 1 1 13 LEU HB2 H 8.612 -2.048 -0.726 1.00 . A A . 13 LEU HB2 1 1 10 2548 1 1 13 LEU HB3 H 10.206 -2.578 -1.045 1.00 . A A . 13 LEU HB3 1 1 10 2549 1 1 13 LEU HD11 H 8.378 -3.472 -2.650 1.00 . A A . 13 LEU HD11 1 1 10 2550 1 1 13 LEU HD12 H 8.380 -5.236 -2.535 1.00 . A A . 13 LEU HD12 1 1 10 2551 1 1 13 LEU HD13 H 7.048 -4.309 -1.829 1.00 . A A . 13 LEU HD13 1 1 10 2552 1 1 13 LEU HD21 H 9.759 -6.221 -0.443 1.00 . A A . 13 LEU HD21 1 1 10 2553 1 1 13 LEU HD22 H 10.668 -5.134 -1.526 1.00 . A A . 13 LEU HD22 1 1 10 2554 1 1 13 LEU HD23 H 10.788 -4.947 0.231 1.00 . A A . 13 LEU HD23 1 1 10 2555 1 1 13 LEU HG H 8.173 -4.507 0.188 1.00 . A A . 13 LEU HG 1 1 10 2556 1 1 13 LEU N N 8.618 -1.695 1.747 1.00 . A A . 13 LEU N 1 1 10 2557 1 1 13 LEU O O 12.058 -2.012 1.906 1.00 . A A . 13 LEU O 1 1 10 2558 1 1 14 NH2 HN1 H 12.215 -0.085 0.638 1.00 . A A . 14 NH2 HN1 1 1 10 2559 1 1 14 NH2 HN2 H 10.523 -0.252 -0.096 1.00 . A A . 14 NH2 HN2 1 1 10 2560 1 1 14 NH2 N N 11.333 -0.563 0.447 1.00 . A A . 14 NH2 N 1 1 11 2561 1 1 1 PHE C C -10.731 4.657 0.755 1.00 . A A . 1 PHE C 1 1 11 2562 1 1 1 PHE CA C -10.897 6.001 1.528 1.00 . A A . 1 PHE CA 1 1 11 2563 1 1 1 PHE CB C -9.952 6.094 2.765 1.00 . A A . 1 PHE CB 1 1 11 2564 1 1 1 PHE CD1 C -9.417 3.816 3.811 1.00 . A A . 1 PHE CD1 1 1 11 2565 1 1 1 PHE CD2 C -11.089 5.210 4.862 1.00 . A A . 1 PHE CD2 1 1 11 2566 1 1 1 PHE CE1 C -9.662 2.818 4.747 1.00 . A A . 1 PHE CE1 1 1 11 2567 1 1 1 PHE CE2 C -11.337 4.207 5.791 1.00 . A A . 1 PHE CE2 1 1 11 2568 1 1 1 PHE CG C -10.133 5.020 3.857 1.00 . A A . 1 PHE CG 1 1 11 2569 1 1 1 PHE CZ C -10.624 3.012 5.738 1.00 . A A . 1 PHE CZ 1 1 11 2570 1 1 1 PHE H1 H -12.479 7.124 2.402 1.00 . A A . 1 PHE H1 1 1 11 2571 1 1 1 PHE H2 H -12.966 6.152 1.138 1.00 . A A . 1 PHE H2 1 1 11 2572 1 1 1 PHE H3 H -12.600 5.483 2.579 1.00 . A A . 1 PHE H3 1 1 11 2573 1 1 1 PHE HA H -10.608 6.812 0.828 1.00 . A A . 1 PHE HA 1 1 11 2574 1 1 1 PHE HB2 H -8.903 6.051 2.407 1.00 . A A . 1 PHE HB2 1 1 11 2575 1 1 1 PHE HB3 H -10.014 7.102 3.218 1.00 . A A . 1 PHE HB3 1 1 11 2576 1 1 1 PHE HD1 H -8.685 3.634 3.033 1.00 . A A . 1 PHE HD1 1 1 11 2577 1 1 1 PHE HD2 H -11.655 6.128 4.921 1.00 . A A . 1 PHE HD2 1 1 11 2578 1 1 1 PHE HE1 H -9.116 1.885 4.708 1.00 . A A . 1 PHE HE1 1 1 11 2579 1 1 1 PHE HE2 H -12.087 4.352 6.558 1.00 . A A . 1 PHE HE2 1 1 11 2580 1 1 1 PHE HZ H -10.817 2.238 6.466 1.00 . A A . 1 PHE HZ 1 1 11 2581 1 1 1 PHE N N -12.316 6.230 1.929 1.00 . A A . 1 PHE N 1 1 11 2582 1 1 1 PHE O O -11.476 3.705 1.008 1.00 . A A . 1 PHE O 1 1 11 2583 1 1 2 VAL C C -8.331 2.461 -0.006 1.00 . A A . 2 VAL C 1 1 11 2584 1 1 2 VAL CA C -9.412 3.285 -0.821 1.00 . A A . 2 VAL CA 1 1 11 2585 1 1 2 VAL CB C -9.058 3.534 -2.323 1.00 . A A . 2 VAL CB 1 1 11 2586 1 1 2 VAL CG1 C -7.639 4.085 -2.543 1.00 . A A . 2 VAL CG1 1 1 11 2587 1 1 2 VAL CG2 C -9.223 2.266 -3.188 1.00 . A A . 2 VAL CG2 1 1 11 2588 1 1 2 VAL H H -9.085 5.350 -0.201 1.00 . A A . 2 VAL H 1 1 11 2589 1 1 2 VAL HA H -10.348 2.698 -0.861 1.00 . A A . 2 VAL HA 1 1 11 2590 1 1 2 VAL HB H -9.779 4.274 -2.725 1.00 . A A . 2 VAL HB 1 1 11 2591 1 1 2 VAL HG11 H -7.423 4.924 -1.858 1.00 . A A . 2 VAL HG11 1 1 11 2592 1 1 2 VAL HG12 H -6.872 3.313 -2.333 1.00 . A A . 2 VAL HG12 1 1 11 2593 1 1 2 VAL HG13 H -7.474 4.443 -3.574 1.00 . A A . 2 VAL HG13 1 1 11 2594 1 1 2 VAL HG21 H -9.044 2.459 -4.261 1.00 . A A . 2 VAL HG21 1 1 11 2595 1 1 2 VAL HG22 H -8.526 1.460 -2.886 1.00 . A A . 2 VAL HG22 1 1 11 2596 1 1 2 VAL HG23 H -10.247 1.851 -3.117 1.00 . A A . 2 VAL HG23 1 1 11 2597 1 1 2 VAL N N -9.748 4.571 -0.152 1.00 . A A . 2 VAL N 1 1 11 2598 1 1 2 VAL O O -7.344 3.046 0.461 1.00 . A A . 2 VAL O 1 1 11 2599 1 1 3 . C C -6.199 0.035 -0.206 1.00 . A A . 3 PH6 C 1 1 11 2600 1 1 3 . C1 C -10.594 -1.878 0.574 1.00 . A A . 3 PH6 C1 1 1 11 2601 1 1 3 . C2 C -11.700 -1.926 -0.529 1.00 . A A . 3 PH6 C2 1 1 11 2602 1 1 3 . C3 C -12.952 -2.699 -0.057 1.00 . A A . 3 PH6 C3 1 1 11 2603 1 1 3 . C4 C -13.499 -2.112 1.268 1.00 . A A . 3 PH6 C4 1 1 11 2604 1 1 3 . C5 C -12.421 -2.128 2.376 1.00 . A A . 3 PH6 C5 1 1 11 2605 1 1 3 . C6 C -11.184 -1.340 1.924 1.00 . A A . 3 PH6 C6 1 1 11 2606 1 1 3 . CA C -7.404 0.264 0.748 1.00 . A A . 3 PH6 CA 1 1 11 2607 1 1 3 . CB C -8.155 -1.040 1.048 1.00 . A A . 3 PH6 CB 1 1 11 2608 1 1 3 . CD C -9.655 0.376 -0.237 1.00 . A A . 3 PH6 CD 1 1 11 2609 1 1 3 . CG C -9.354 -1.088 0.083 1.00 . A A . 3 PH6 CG 1 1 11 2610 1 1 3 . H1 H -10.261 -2.921 0.745 1.00 . A A . 3 PH6 H1 1 1 11 2611 1 1 3 . H21 H -11.307 -2.377 -1.461 1.00 . A A . 3 PH6 H21 1 1 11 2612 1 1 3 . H22 H -12.010 -0.902 -0.815 1.00 . A A . 3 PH6 H22 1 1 11 2613 1 1 3 . H31 H -13.733 -2.678 -0.840 1.00 . A A . 3 PH6 H31 1 1 11 2614 1 1 3 . H32 H -12.694 -3.766 0.081 1.00 . A A . 3 PH6 H32 1 1 11 2615 1 1 3 . H41 H -14.390 -2.674 1.601 1.00 . A A . 3 PH6 H41 1 1 11 2616 1 1 3 . H42 H -13.844 -1.073 1.101 1.00 . A A . 3 PH6 H42 1 1 11 2617 1 1 3 . H51 H -12.814 -1.694 3.315 1.00 . A A . 3 PH6 H51 1 1 11 2618 1 1 3 . H52 H -12.127 -3.167 2.620 1.00 . A A . 3 PH6 H52 1 1 11 2619 1 1 3 . H61 H -10.434 -1.366 2.733 1.00 . A A . 3 PH6 H61 1 1 11 2620 1 1 3 . H62 H -11.475 -0.277 1.841 1.00 . A A . 3 PH6 H62 1 1 11 2621 1 1 3 . HA H -7.068 0.694 1.714 1.00 . A A . 3 PH6 HA 1 1 11 2622 1 1 3 . HB2 H -8.461 -1.038 2.107 1.00 . A A . 3 PH6 HB2 1 1 11 2623 1 1 3 . HB3 H -7.511 -1.930 0.940 1.00 . A A . 3 PH6 HB3 1 1 11 2624 1 1 3 . HD2 H -10.523 0.773 0.319 1.00 . A A . 3 PH6 HD2 1 1 11 2625 1 1 3 . HD3 H -9.902 0.474 -1.307 1.00 . A A . 3 PH6 HD3 1 1 11 2626 1 1 3 . HG2 H -8.986 -1.554 -0.857 1.00 . A A . 3 PH6 HG2 1 1 11 2627 1 1 3 . N N -8.455 1.118 0.152 1.00 . A A . 3 PH6 N 1 1 11 2628 1 1 3 . O O -6.306 -0.553 -1.288 1.00 . A A . 3 PH6 O 1 1 11 2629 1 1 4 TRP C C -2.964 -0.862 -0.012 1.00 . A A . 4 TRP C 1 1 11 2630 1 1 4 TRP CA C -3.784 0.353 -0.535 1.00 . A A . 4 TRP CA 1 1 11 2631 1 1 4 TRP CB C -3.008 1.683 -0.431 1.00 . A A . 4 TRP CB 1 1 11 2632 1 1 4 TRP CD1 C -3.677 2.853 -2.702 1.00 . A A . 4 TRP CD1 1 1 11 2633 1 1 4 TRP CD2 C -3.948 4.083 -0.868 1.00 . A A . 4 TRP CD2 1 1 11 2634 1 1 4 TRP CE2 C -4.334 4.833 -2.007 1.00 . A A . 4 TRP CE2 1 1 11 2635 1 1 4 TRP CE3 C -4.067 4.637 0.433 1.00 . A A . 4 TRP CE3 1 1 11 2636 1 1 4 TRP CG C -3.527 2.842 -1.295 1.00 . A A . 4 TRP CG 1 1 11 2637 1 1 4 TRP CH2 C -4.970 6.667 -0.562 1.00 . A A . 4 TRP CH2 1 1 11 2638 1 1 4 TRP CZ2 C -4.863 6.135 -1.850 1.00 . A A . 4 TRP CZ2 1 1 11 2639 1 1 4 TRP CZ3 C -4.572 5.930 0.561 1.00 . A A . 4 TRP CZ3 1 1 11 2640 1 1 4 TRP H H -5.087 0.994 1.131 1.00 . A A . 4 TRP H 1 1 11 2641 1 1 4 TRP HA H -4.004 0.186 -1.612 1.00 . A A . 4 TRP HA 1 1 11 2642 1 1 4 TRP HB2 H -2.911 1.986 0.629 1.00 . A A . 4 TRP HB2 1 1 11 2643 1 1 4 TRP HB3 H -1.976 1.478 -0.723 1.00 . A A . 4 TRP HB3 1 1 11 2644 1 1 4 TRP HD1 H -3.497 1.998 -3.340 1.00 . A A . 4 TRP HD1 1 1 11 2645 1 1 4 TRP HE1 H -4.532 4.311 -4.098 1.00 . A A . 4 TRP HE1 1 1 11 2646 1 1 4 TRP HE3 H -3.793 4.066 1.309 1.00 . A A . 4 TRP HE3 1 1 11 2647 1 1 4 TRP HH2 H -5.376 7.660 -0.428 1.00 . A A . 4 TRP HH2 1 1 11 2648 1 1 4 TRP HZ2 H -5.207 6.694 -2.708 1.00 . A A . 4 TRP HZ2 1 1 11 2649 1 1 4 TRP HZ3 H -4.664 6.364 1.547 1.00 . A A . 4 TRP HZ3 1 1 11 2650 1 1 4 TRP N N -5.036 0.509 0.231 1.00 . A A . 4 TRP N 1 1 11 2651 1 1 4 TRP NE1 N -4.153 4.095 -3.167 1.00 . A A . 4 TRP NE1 1 1 11 2652 1 1 4 TRP O O -2.304 -0.783 1.026 1.00 . A A . 4 TRP O 1 1 11 2653 1 1 5 PHE C C -0.844 -3.284 -0.950 1.00 . A A . 5 PHE C 1 1 11 2654 1 1 5 PHE CA C -2.295 -3.233 -0.371 1.00 . A A . 5 PHE CA 1 1 11 2655 1 1 5 PHE CB C -3.134 -4.482 -0.784 1.00 . A A . 5 PHE CB 1 1 11 2656 1 1 5 PHE CD1 C -5.589 -4.425 -1.415 1.00 . A A . 5 PHE CD1 1 1 11 2657 1 1 5 PHE CD2 C -5.014 -4.549 0.929 1.00 . A A . 5 PHE CD2 1 1 11 2658 1 1 5 PHE CE1 C -6.938 -4.427 -1.086 1.00 . A A . 5 PHE CE1 1 1 11 2659 1 1 5 PHE CE2 C -6.364 -4.550 1.257 1.00 . A A . 5 PHE CE2 1 1 11 2660 1 1 5 PHE CG C -4.617 -4.497 -0.410 1.00 . A A . 5 PHE CG 1 1 11 2661 1 1 5 PHE CZ C -7.329 -4.504 0.250 1.00 . A A . 5 PHE CZ 1 1 11 2662 1 1 5 PHE H H -3.761 -1.970 -1.443 1.00 . A A . 5 PHE H 1 1 11 2663 1 1 5 PHE HA H -2.197 -3.271 0.735 1.00 . A A . 5 PHE HA 1 1 11 2664 1 1 5 PHE HB2 H -3.040 -4.651 -1.874 1.00 . A A . 5 PHE HB2 1 1 11 2665 1 1 5 PHE HB3 H -2.657 -5.381 -0.348 1.00 . A A . 5 PHE HB3 1 1 11 2666 1 1 5 PHE HD1 H -5.301 -4.368 -2.457 1.00 . A A . 5 PHE HD1 1 1 11 2667 1 1 5 PHE HD2 H -4.271 -4.576 1.715 1.00 . A A . 5 PHE HD2 1 1 11 2668 1 1 5 PHE HE1 H -7.683 -4.369 -1.867 1.00 . A A . 5 PHE HE1 1 1 11 2669 1 1 5 PHE HE2 H -6.665 -4.578 2.295 1.00 . A A . 5 PHE HE2 1 1 11 2670 1 1 5 PHE HZ H -8.376 -4.501 0.504 1.00 . A A . 5 PHE HZ 1 1 11 2671 1 1 5 PHE N N -2.987 -1.966 -0.769 1.00 . A A . 5 PHE N 1 1 11 2672 1 1 5 PHE O O 0.133 -3.126 -0.215 1.00 . A A . 5 PHE O 1 1 11 2673 1 1 6 SER C C 1.324 -1.907 -2.745 1.00 . A A . 6 SER C 1 1 11 2674 1 1 6 SER CA C 0.569 -3.244 -3.026 1.00 . A A . 6 SER CA 1 1 11 2675 1 1 6 SER CB C 0.275 -3.451 -4.538 1.00 . A A . 6 SER CB 1 1 11 2676 1 1 6 SER H H -1.621 -3.488 -2.766 1.00 . A A . 6 SER H 1 1 11 2677 1 1 6 SER HA H 1.254 -4.054 -2.703 1.00 . A A . 6 SER HA 1 1 11 2678 1 1 6 SER HB2 H 0.170 -4.534 -4.748 1.00 . A A . 6 SER HB2 1 1 11 2679 1 1 6 SER HB3 H -0.688 -2.989 -4.834 1.00 . A A . 6 SER HB3 1 1 11 2680 1 1 6 SER HG H 1.067 -3.019 -6.286 1.00 . A A . 6 SER HG 1 1 11 2681 1 1 6 SER N N -0.718 -3.415 -2.289 1.00 . A A . 6 SER N 1 1 11 2682 1 1 6 SER O O 2.513 -1.930 -2.442 1.00 . A A . 6 SER O 1 1 11 2683 1 1 6 SER OG O 1.316 -2.912 -5.362 1.00 . A A . 6 SER OG 1 1 11 2684 1 1 7 LYS C C 1.899 0.616 -0.947 1.00 . A A . 7 LYS C 1 1 11 2685 1 1 7 LYS CA C 1.200 0.551 -2.352 1.00 . A A . 7 LYS CA 1 1 11 2686 1 1 7 LYS CB C 0.053 1.600 -2.452 1.00 . A A . 7 LYS CB 1 1 11 2687 1 1 7 LYS CD C 1.091 3.927 -2.779 1.00 . A A . 7 LYS CD 1 1 11 2688 1 1 7 LYS CE C 0.168 5.131 -2.485 1.00 . A A . 7 LYS CE 1 1 11 2689 1 1 7 LYS CG C 0.323 2.753 -3.429 1.00 . A A . 7 LYS CG 1 1 11 2690 1 1 7 LYS H H -0.362 -0.919 -2.969 1.00 . A A . 7 LYS H 1 1 11 2691 1 1 7 LYS HA H 2.000 0.792 -3.081 1.00 . A A . 7 LYS HA 1 1 11 2692 1 1 7 LYS HB2 H -0.917 1.136 -2.727 1.00 . A A . 7 LYS HB2 1 1 11 2693 1 1 7 LYS HB3 H -0.151 2.026 -1.452 1.00 . A A . 7 LYS HB3 1 1 11 2694 1 1 7 LYS HD2 H 1.604 3.601 -1.846 1.00 . A A . 7 LYS HD2 1 1 11 2695 1 1 7 LYS HD3 H 1.933 4.178 -3.457 1.00 . A A . 7 LYS HD3 1 1 11 2696 1 1 7 LYS HE2 H -0.693 5.164 -3.196 1.00 . A A . 7 LYS HE2 1 1 11 2697 1 1 7 LYS HE3 H -0.320 5.010 -1.488 1.00 . A A . 7 LYS HE3 1 1 11 2698 1 1 7 LYS HG2 H 0.875 2.368 -4.312 1.00 . A A . 7 LYS HG2 1 1 11 2699 1 1 7 LYS HG3 H -0.644 3.077 -3.866 1.00 . A A . 7 LYS HG3 1 1 11 2700 1 1 7 LYS HZ1 H 0.403 7.240 -2.459 1.00 . A A . 7 LYS HZ1 1 1 11 2701 1 1 7 LYS HZ2 H 1.731 6.421 -1.908 1.00 . A A . 7 LYS HZ2 1 1 11 2702 1 1 7 LYS HZ3 H 1.399 6.476 -3.516 1.00 . A A . 7 LYS HZ3 1 1 11 2703 1 1 7 LYS N N 0.633 -0.757 -2.788 1.00 . A A . 7 LYS N 1 1 11 2704 1 1 7 LYS NZ N 0.962 6.384 -2.586 1.00 . A A . 7 LYS NZ 1 1 11 2705 1 1 7 LYS O O 2.928 1.280 -0.795 1.00 . A A . 7 LYS O 1 1 11 2706 1 1 8 PHE C C 3.275 -1.193 1.250 1.00 . A A . 8 PHE C 1 1 11 2707 1 1 8 PHE CA C 1.982 -0.346 1.352 1.00 . A A . 8 PHE CA 1 1 11 2708 1 1 8 PHE CB C 0.919 -0.994 2.293 1.00 . A A . 8 PHE CB 1 1 11 2709 1 1 8 PHE CD1 C -0.167 1.188 3.009 1.00 . A A . 8 PHE CD1 1 1 11 2710 1 1 8 PHE CD2 C 0.495 -0.396 4.710 1.00 . A A . 8 PHE CD2 1 1 11 2711 1 1 8 PHE CE1 C -0.585 2.074 3.991 1.00 . A A . 8 PHE CE1 1 1 11 2712 1 1 8 PHE CE2 C 0.057 0.483 5.692 1.00 . A A . 8 PHE CE2 1 1 11 2713 1 1 8 PHE CG C 0.388 -0.047 3.360 1.00 . A A . 8 PHE CG 1 1 11 2714 1 1 8 PHE CZ C -0.479 1.719 5.337 1.00 . A A . 8 PHE CZ 1 1 11 2715 1 1 8 PHE H H 0.574 -0.690 -0.278 1.00 . A A . 8 PHE H 1 1 11 2716 1 1 8 PHE HA H 2.320 0.620 1.779 1.00 . A A . 8 PHE HA 1 1 11 2717 1 1 8 PHE HB2 H 0.063 -1.428 1.741 1.00 . A A . 8 PHE HB2 1 1 11 2718 1 1 8 PHE HB3 H 1.346 -1.895 2.781 1.00 . A A . 8 PHE HB3 1 1 11 2719 1 1 8 PHE HD1 H -0.238 1.468 1.965 1.00 . A A . 8 PHE HD1 1 1 11 2720 1 1 8 PHE HD2 H 0.923 -1.347 4.997 1.00 . A A . 8 PHE HD2 1 1 11 2721 1 1 8 PHE HE1 H -0.986 3.036 3.712 1.00 . A A . 8 PHE HE1 1 1 11 2722 1 1 8 PHE HE2 H 0.137 0.199 6.733 1.00 . A A . 8 PHE HE2 1 1 11 2723 1 1 8 PHE HZ H -0.813 2.399 6.103 1.00 . A A . 8 PHE HZ 1 1 11 2724 1 1 8 PHE N N 1.316 -0.062 0.053 1.00 . A A . 8 PHE N 1 1 11 2725 1 1 8 PHE O O 4.352 -0.681 1.560 1.00 . A A . 8 PHE O 1 1 11 2726 1 1 9 LEU C C 5.466 -2.587 -0.419 1.00 . A A . 9 LEU C 1 1 11 2727 1 1 9 LEU CA C 4.356 -3.276 0.432 1.00 . A A . 9 LEU CA 1 1 11 2728 1 1 9 LEU CB C 3.882 -4.613 -0.211 1.00 . A A . 9 LEU CB 1 1 11 2729 1 1 9 LEU CD1 C 3.487 -7.103 -0.041 1.00 . A A . 9 LEU CD1 1 1 11 2730 1 1 9 LEU CD2 C 5.703 -6.138 0.736 1.00 . A A . 9 LEU CD2 1 1 11 2731 1 1 9 LEU CG C 4.186 -5.890 0.607 1.00 . A A . 9 LEU CG 1 1 11 2732 1 1 9 LEU H H 2.232 -2.680 0.418 1.00 . A A . 9 LEU H 1 1 11 2733 1 1 9 LEU HA H 4.838 -3.500 1.406 1.00 . A A . 9 LEU HA 1 1 11 2734 1 1 9 LEU HB2 H 2.799 -4.580 -0.445 1.00 . A A . 9 LEU HB2 1 1 11 2735 1 1 9 LEU HB3 H 4.339 -4.739 -1.214 1.00 . A A . 9 LEU HB3 1 1 11 2736 1 1 9 LEU HD11 H 4.146 -7.985 -0.147 1.00 . A A . 9 LEU HD11 1 1 11 2737 1 1 9 LEU HD12 H 2.625 -7.431 0.569 1.00 . A A . 9 LEU HD12 1 1 11 2738 1 1 9 LEU HD13 H 3.093 -6.896 -1.054 1.00 . A A . 9 LEU HD13 1 1 11 2739 1 1 9 LEU HD21 H 5.930 -7.125 1.180 1.00 . A A . 9 LEU HD21 1 1 11 2740 1 1 9 LEU HD22 H 6.219 -6.095 -0.241 1.00 . A A . 9 LEU HD22 1 1 11 2741 1 1 9 LEU HD23 H 6.194 -5.391 1.389 1.00 . A A . 9 LEU HD23 1 1 11 2742 1 1 9 LEU HG H 3.774 -5.766 1.631 1.00 . A A . 9 LEU HG 1 1 11 2743 1 1 9 LEU N N 3.172 -2.437 0.753 1.00 . A A . 9 LEU N 1 1 11 2744 1 1 9 LEU O O 6.622 -2.690 -0.046 1.00 . A A . 9 LEU O 1 1 11 2745 1 1 10 GLY C C 6.911 0.083 -1.467 1.00 . A A . 10 GLY C 1 1 11 2746 1 1 10 GLY CA C 6.097 -0.988 -2.235 1.00 . A A . 10 GLY CA 1 1 11 2747 1 1 10 GLY H H 4.108 -1.799 -1.626 1.00 . A A . 10 GLY H 1 1 11 2748 1 1 10 GLY HA2 H 6.811 -1.645 -2.764 1.00 . A A . 10 GLY HA2 1 1 11 2749 1 1 10 GLY HA3 H 5.549 -0.467 -3.039 1.00 . A A . 10 GLY HA3 1 1 11 2750 1 1 10 GLY N N 5.129 -1.832 -1.478 1.00 . A A . 10 GLY N 1 1 11 2751 1 1 10 GLY O O 8.122 0.188 -1.652 1.00 . A A . 10 GLY O 1 1 11 2752 1 1 11 ARG C C 7.820 1.014 1.468 1.00 . A A . 11 ARG C 1 1 11 2753 1 1 11 ARG CA C 6.968 1.742 0.379 1.00 . A A . 11 ARG CA 1 1 11 2754 1 1 11 ARG CB C 5.906 2.656 1.047 1.00 . A A . 11 ARG CB 1 1 11 2755 1 1 11 ARG CD C 6.021 5.175 0.929 1.00 . A A . 11 ARG CD 1 1 11 2756 1 1 11 ARG CG C 5.512 3.908 0.227 1.00 . A A . 11 ARG CG 1 1 11 2757 1 1 11 ARG CZ C 5.551 7.617 0.807 1.00 . A A . 11 ARG CZ 1 1 11 2758 1 1 11 ARG H H 5.293 0.550 -0.447 1.00 . A A . 11 ARG H 1 1 11 2759 1 1 11 ARG HA H 7.695 2.373 -0.173 1.00 . A A . 11 ARG HA 1 1 11 2760 1 1 11 ARG HB2 H 5.005 2.063 1.308 1.00 . A A . 11 ARG HB2 1 1 11 2761 1 1 11 ARG HB3 H 6.278 2.951 2.051 1.00 . A A . 11 ARG HB3 1 1 11 2762 1 1 11 ARG HD2 H 5.742 5.129 2.005 1.00 . A A . 11 ARG HD2 1 1 11 2763 1 1 11 ARG HD3 H 7.134 5.187 0.903 1.00 . A A . 11 ARG HD3 1 1 11 2764 1 1 11 ARG HE H 4.994 6.332 -0.612 1.00 . A A . 11 ARG HE 1 1 11 2765 1 1 11 ARG HG2 H 5.917 3.843 -0.805 1.00 . A A . 11 ARG HG2 1 1 11 2766 1 1 11 ARG HG3 H 4.411 3.912 0.107 1.00 . A A . 11 ARG HG3 1 1 11 2767 1 1 11 ARG HH11 H 6.238 8.852 2.244 1.00 . A A . 11 ARG HH11 1 1 11 2768 1 1 11 ARG HH12 H 6.625 7.072 2.348 1.00 . A A . 11 ARG HH12 1 1 11 2769 1 1 11 ARG HH21 H 5.107 9.525 0.577 1.00 . A A . 11 ARG HH21 1 1 11 2770 1 1 11 ARG HH22 H 4.566 8.373 -0.727 1.00 . A A . 11 ARG HH22 1 1 11 2771 1 1 11 ARG N N 6.257 0.871 -0.604 1.00 . A A . 11 ARG N 1 1 11 2772 1 1 11 ARG NE N 5.458 6.394 0.295 1.00 . A A . 11 ARG NE 1 1 11 2773 1 1 11 ARG NH1 N 6.175 7.886 1.920 1.00 . A A . 11 ARG NH1 1 1 11 2774 1 1 11 ARG NH2 N 4.995 8.594 0.168 1.00 . A A . 11 ARG NH2 1 1 11 2775 1 1 11 ARG O O 8.998 1.336 1.631 1.00 . A A . 11 ARG O 1 1 11 2776 1 1 12 ILE C C 9.093 -1.653 2.625 1.00 . A A . 12 ILE C 1 1 11 2777 1 1 12 ILE CA C 7.939 -0.762 3.229 1.00 . A A . 12 ILE CA 1 1 11 2778 1 1 12 ILE CB C 6.921 -1.615 4.077 1.00 . A A . 12 ILE CB 1 1 11 2779 1 1 12 ILE CD1 C 4.618 -1.699 5.333 1.00 . A A . 12 ILE CD1 1 1 11 2780 1 1 12 ILE CG1 C 5.686 -0.835 4.633 1.00 . A A . 12 ILE CG1 1 1 11 2781 1 1 12 ILE CG2 C 7.634 -2.375 5.239 1.00 . A A . 12 ILE CG2 1 1 11 2782 1 1 12 ILE H H 6.256 -0.141 1.927 1.00 . A A . 12 ILE H 1 1 11 2783 1 1 12 ILE HA H 8.440 -0.069 3.934 1.00 . A A . 12 ILE HA 1 1 11 2784 1 1 12 ILE HB H 6.515 -2.377 3.380 1.00 . A A . 12 ILE HB 1 1 11 2785 1 1 12 ILE HD11 H 4.706 -1.619 6.433 1.00 . A A . 12 ILE HD11 1 1 11 2786 1 1 12 ILE HD12 H 3.592 -1.397 5.059 1.00 . A A . 12 ILE HD12 1 1 11 2787 1 1 12 ILE HD13 H 4.717 -2.774 5.083 1.00 . A A . 12 ILE HD13 1 1 11 2788 1 1 12 ILE HG12 H 6.020 -0.017 5.300 1.00 . A A . 12 ILE HG12 1 1 11 2789 1 1 12 ILE HG13 H 5.178 -0.312 3.806 1.00 . A A . 12 ILE HG13 1 1 11 2790 1 1 12 ILE HG21 H 7.632 -3.465 5.055 1.00 . A A . 12 ILE HG21 1 1 11 2791 1 1 12 ILE HG22 H 8.696 -2.091 5.365 1.00 . A A . 12 ILE HG22 1 1 11 2792 1 1 12 ILE HG23 H 7.173 -2.218 6.231 1.00 . A A . 12 ILE HG23 1 1 11 2793 1 1 12 ILE N N 7.216 0.082 2.221 1.00 . A A . 12 ILE N 1 1 11 2794 1 1 12 ILE O O 10.118 -1.836 3.282 1.00 . A A . 12 ILE O 1 1 11 2795 1 1 13 LEU C C 11.420 -2.104 0.606 1.00 . A A . 13 LEU C 1 1 11 2796 1 1 13 LEU CA C 10.025 -2.820 0.598 1.00 . A A . 13 LEU CA 1 1 11 2797 1 1 13 LEU CB C 9.497 -3.006 -0.867 1.00 . A A . 13 LEU CB 1 1 11 2798 1 1 13 LEU CD1 C 8.184 -4.323 -2.592 1.00 . A A . 13 LEU CD1 1 1 11 2799 1 1 13 LEU CD2 C 10.089 -5.422 -1.335 1.00 . A A . 13 LEU CD2 1 1 11 2800 1 1 13 LEU CG C 8.942 -4.401 -1.252 1.00 . A A . 13 LEU CG 1 1 11 2801 1 1 13 LEU H H 8.041 -1.936 0.953 1.00 . A A . 13 LEU H 1 1 11 2802 1 1 13 LEU HA H 10.192 -3.815 1.053 1.00 . A A . 13 LEU HA 1 1 11 2803 1 1 13 LEU HB2 H 8.747 -2.229 -1.105 1.00 . A A . 13 LEU HB2 1 1 11 2804 1 1 13 LEU HB3 H 10.292 -2.758 -1.596 1.00 . A A . 13 LEU HB3 1 1 11 2805 1 1 13 LEU HD11 H 7.160 -3.938 -2.442 1.00 . A A . 13 LEU HD11 1 1 11 2806 1 1 13 LEU HD12 H 8.678 -3.656 -3.324 1.00 . A A . 13 LEU HD12 1 1 11 2807 1 1 13 LEU HD13 H 8.069 -5.309 -3.079 1.00 . A A . 13 LEU HD13 1 1 11 2808 1 1 13 LEU HD21 H 10.998 -4.997 -1.801 1.00 . A A . 13 LEU HD21 1 1 11 2809 1 1 13 LEU HD22 H 10.382 -5.769 -0.326 1.00 . A A . 13 LEU HD22 1 1 11 2810 1 1 13 LEU HD23 H 9.821 -6.325 -1.912 1.00 . A A . 13 LEU HD23 1 1 11 2811 1 1 13 LEU HG H 8.222 -4.741 -0.480 1.00 . A A . 13 LEU HG 1 1 11 2812 1 1 13 LEU N N 8.944 -2.165 1.390 1.00 . A A . 13 LEU N 1 1 11 2813 1 1 13 LEU O O 12.437 -2.674 0.984 1.00 . A A . 13 LEU O 1 1 11 2814 1 1 14 NH2 HN1 H 12.418 -0.435 0.478 1.00 . A A . 14 NH2 HN1 1 1 11 2815 1 1 14 NH2 HN2 H 10.617 -0.375 0.110 1.00 . A A . 14 NH2 HN2 1 1 11 2816 1 1 14 NH2 N N 11.521 -0.847 0.215 1.00 . A A . 14 NH2 N 1 1 12 2817 1 1 1 PHE C C -9.780 4.916 1.006 1.00 . A A . 1 PHE C 1 1 12 2818 1 1 1 PHE CA C -9.738 6.138 1.977 1.00 . A A . 1 PHE CA 1 1 12 2819 1 1 1 PHE CB C -8.742 5.940 3.163 1.00 . A A . 1 PHE CB 1 1 12 2820 1 1 1 PHE CD1 C -9.965 4.565 4.929 1.00 . A A . 1 PHE CD1 1 1 12 2821 1 1 1 PHE CD2 C -8.080 3.550 3.812 1.00 . A A . 1 PHE CD2 1 1 12 2822 1 1 1 PHE CE1 C -10.196 3.381 5.618 1.00 . A A . 1 PHE CE1 1 1 12 2823 1 1 1 PHE CE2 C -8.303 2.370 4.514 1.00 . A A . 1 PHE CE2 1 1 12 2824 1 1 1 PHE CG C -8.916 4.660 4.010 1.00 . A A . 1 PHE CG 1 1 12 2825 1 1 1 PHE CZ C -9.362 2.283 5.414 1.00 . A A . 1 PHE CZ 1 1 12 2826 1 1 1 PHE H1 H -11.115 7.310 3.101 1.00 . A A . 1 PHE H1 1 1 12 2827 1 1 1 PHE H2 H -11.781 6.606 1.743 1.00 . A A . 1 PHE H2 1 1 12 2828 1 1 1 PHE H3 H -11.451 5.688 3.045 1.00 . A A . 1 PHE H3 1 1 12 2829 1 1 1 PHE HA H -9.379 6.998 1.375 1.00 . A A . 1 PHE HA 1 1 12 2830 1 1 1 PHE HB2 H -7.715 5.946 2.746 1.00 . A A . 1 PHE HB2 1 1 12 2831 1 1 1 PHE HB3 H -8.738 6.826 3.825 1.00 . A A . 1 PHE HB3 1 1 12 2832 1 1 1 PHE HD1 H -10.622 5.404 5.110 1.00 . A A . 1 PHE HD1 1 1 12 2833 1 1 1 PHE HD2 H -7.264 3.587 3.103 1.00 . A A . 1 PHE HD2 1 1 12 2834 1 1 1 PHE HE1 H -11.022 3.308 6.311 1.00 . A A . 1 PHE HE1 1 1 12 2835 1 1 1 PHE HE2 H -7.657 1.514 4.363 1.00 . A A . 1 PHE HE2 1 1 12 2836 1 1 1 PHE HZ H -9.537 1.368 5.962 1.00 . A A . 1 PHE HZ 1 1 12 2837 1 1 1 PHE N N -11.094 6.482 2.496 1.00 . A A . 1 PHE N 1 1 12 2838 1 1 1 PHE O O -10.755 4.157 0.999 1.00 . A A . 1 PHE O 1 1 12 2839 1 1 2 VAL C C -7.740 2.363 0.144 1.00 . A A . 2 VAL C 1 1 12 2840 1 1 2 VAL CA C -8.569 3.485 -0.605 1.00 . A A . 2 VAL CA 1 1 12 2841 1 1 2 VAL CB C -8.036 3.865 -2.022 1.00 . A A . 2 VAL CB 1 1 12 2842 1 1 2 VAL CG1 C -6.527 4.153 -2.059 1.00 . A A . 2 VAL CG1 1 1 12 2843 1 1 2 VAL CG2 C -8.353 2.788 -3.082 1.00 . A A . 2 VAL CG2 1 1 12 2844 1 1 2 VAL H H -7.887 5.290 0.405 1.00 . A A . 2 VAL H 1 1 12 2845 1 1 2 VAL HA H -9.589 3.103 -0.794 1.00 . A A . 2 VAL HA 1 1 12 2846 1 1 2 VAL HB H -8.566 4.783 -2.351 1.00 . A A . 2 VAL HB 1 1 12 2847 1 1 2 VAL HG11 H -5.944 3.217 -1.954 1.00 . A A . 2 VAL HG11 1 1 12 2848 1 1 2 VAL HG12 H -6.213 4.633 -3.002 1.00 . A A . 2 VAL HG12 1 1 12 2849 1 1 2 VAL HG13 H -6.199 4.805 -1.229 1.00 . A A . 2 VAL HG13 1 1 12 2850 1 1 2 VAL HG21 H -8.062 3.100 -4.101 1.00 . A A . 2 VAL HG21 1 1 12 2851 1 1 2 VAL HG22 H -7.833 1.831 -2.875 1.00 . A A . 2 VAL HG22 1 1 12 2852 1 1 2 VAL HG23 H -9.436 2.563 -3.126 1.00 . A A . 2 VAL HG23 1 1 12 2853 1 1 2 VAL N N -8.713 4.713 0.222 1.00 . A A . 2 VAL N 1 1 12 2854 1 1 2 VAL O O -6.700 2.674 0.743 1.00 . A A . 2 VAL O 1 1 12 2855 1 1 3 . C C -6.103 -0.380 -0.328 1.00 . A A . 3 PH6 C 1 1 12 2856 1 1 3 . C1 C -12.796 -1.619 1.552 1.00 . A A . 3 PH6 C1 1 1 12 2857 1 1 3 . C2 C -11.400 -1.037 1.300 1.00 . A A . 3 PH6 C2 1 1 12 2858 1 1 3 . C3 C -10.806 -1.487 -0.079 1.00 . A A . 3 PH6 C3 1 1 12 2859 1 1 3 . C4 C -11.799 -1.161 -1.241 1.00 . A A . 3 PH6 C4 1 1 12 2860 1 1 3 . C5 C -13.209 -1.727 -0.967 1.00 . A A . 3 PH6 C5 1 1 12 2861 1 1 3 . C6 C -13.749 -1.234 0.399 1.00 . A A . 3 PH6 C6 1 1 12 2862 1 1 3 . CA C -7.302 -0.061 0.602 1.00 . A A . 3 PH6 CA 1 1 12 2863 1 1 3 . CB C -8.318 -1.205 0.680 1.00 . A A . 3 PH6 CB 1 1 12 2864 1 1 3 . CD C -9.399 0.629 -0.482 1.00 . A A . 3 PH6 CD 1 1 12 2865 1 1 3 . CG C -9.405 -0.894 -0.364 1.00 . A A . 3 PH6 CG 1 1 12 2866 1 1 3 . H1 H -12.722 -2.720 1.648 1.00 . A A . 3 PH6 H1 1 1 12 2867 1 1 3 . H21 H -11.476 0.064 1.366 1.00 . A A . 3 PH6 H21 1 1 12 2868 1 1 3 . H22 H -13.180 -1.253 2.523 1.00 . A A . 3 PH6 H22 1 1 12 2869 1 1 3 . H31 H -10.685 -2.589 -0.052 1.00 . A A . 3 PH6 H31 1 1 12 2870 1 1 3 . H32 H -10.744 -1.326 2.139 1.00 . A A . 3 PH6 H32 1 1 12 2871 1 1 3 . H41 H -11.415 -1.546 -2.206 1.00 . A A . 3 PH6 H41 1 1 12 2872 1 1 3 . H42 H -11.885 -0.065 -1.384 1.00 . A A . 3 PH6 H42 1 1 12 2873 1 1 3 . H51 H -13.901 -1.442 -1.781 1.00 . A A . 3 PH6 H51 1 1 12 2874 1 1 3 . H52 H -13.168 -2.833 -0.980 1.00 . A A . 3 PH6 H52 1 1 12 2875 1 1 3 . H61 H -14.756 -1.648 0.589 1.00 . A A . 3 PH6 H61 1 1 12 2876 1 1 3 . H62 H -13.876 -0.134 0.375 1.00 . A A . 3 PH6 H62 1 1 12 2877 1 1 3 . HA H -6.940 0.146 1.630 1.00 . A A . 3 PH6 HA 1 1 12 2878 1 1 3 . HB2 H -8.708 -1.263 1.709 1.00 . A A . 3 PH6 HB2 1 1 12 2879 1 1 3 . HB3 H -7.859 -2.188 0.495 1.00 . A A . 3 PH6 HB3 1 1 12 2880 1 1 3 . HD2 H -10.224 1.110 0.074 1.00 . A A . 3 PH6 HD2 1 1 12 2881 1 1 3 . HD3 H -9.524 0.918 -1.539 1.00 . A A . 3 PH6 HD3 1 1 12 2882 1 1 3 . HG2 H -9.039 -1.295 -1.334 1.00 . A A . 3 PH6 HG2 1 1 12 2883 1 1 3 . N N -8.124 1.062 0.091 1.00 . A A . 3 PH6 N 1 1 12 2884 1 1 3 . O O -6.170 -1.163 -1.282 1.00 . A A . 3 PH6 O 1 1 12 2885 1 1 4 TRP C C -3.056 -1.287 -0.242 1.00 . A A . 4 TRP C 1 1 12 2886 1 1 4 TRP CA C -3.723 0.020 -0.747 1.00 . A A . 4 TRP CA 1 1 12 2887 1 1 4 TRP CB C -2.840 1.280 -0.599 1.00 . A A . 4 TRP CB 1 1 12 2888 1 1 4 TRP CD1 C -3.397 2.250 -3.013 1.00 . A A . 4 TRP CD1 1 1 12 2889 1 1 4 TRP CD2 C -3.022 3.760 -1.424 1.00 . A A . 4 TRP CD2 1 1 12 2890 1 1 4 TRP CE2 C -3.260 4.409 -2.665 1.00 . A A . 4 TRP CE2 1 1 12 2891 1 1 4 TRP CE3 C -2.809 4.519 -0.245 1.00 . A A . 4 TRP CE3 1 1 12 2892 1 1 4 TRP CG C -3.102 2.399 -1.629 1.00 . A A . 4 TRP CG 1 1 12 2893 1 1 4 TRP CH2 C -3.121 6.550 -1.553 1.00 . A A . 4 TRP CH2 1 1 12 2894 1 1 4 TRP CZ2 C -3.327 5.818 -2.724 1.00 . A A . 4 TRP CZ2 1 1 12 2895 1 1 4 TRP CZ3 C -2.859 5.910 -0.334 1.00 . A A . 4 TRP CZ3 1 1 12 2896 1 1 4 TRP H H -5.092 0.979 0.705 1.00 . A A . 4 TRP H 1 1 12 2897 1 1 4 TRP HA H -3.951 -0.117 -1.824 1.00 . A A . 4 TRP HA 1 1 12 2898 1 1 4 TRP HB2 H -2.899 1.675 0.434 1.00 . A A . 4 TRP HB2 1 1 12 2899 1 1 4 TRP HB3 H -1.786 0.975 -0.673 1.00 . A A . 4 TRP HB3 1 1 12 2900 1 1 4 TRP HD1 H -3.517 1.299 -3.513 1.00 . A A . 4 TRP HD1 1 1 12 2901 1 1 4 TRP HE1 H -3.810 3.678 -4.626 1.00 . A A . 4 TRP HE1 1 1 12 2902 1 1 4 TRP HE3 H -2.632 4.035 0.705 1.00 . A A . 4 TRP HE3 1 1 12 2903 1 1 4 TRP HH2 H -3.174 7.629 -1.587 1.00 . A A . 4 TRP HH2 1 1 12 2904 1 1 4 TRP HZ2 H -3.556 6.316 -3.655 1.00 . A A . 4 TRP HZ2 1 1 12 2905 1 1 4 TRP HZ3 H -2.702 6.502 0.556 1.00 . A A . 4 TRP HZ3 1 1 12 2906 1 1 4 TRP N N -4.980 0.264 -0.023 1.00 . A A . 4 TRP N 1 1 12 2907 1 1 4 TRP NE1 N -3.474 3.487 -3.675 1.00 . A A . 4 TRP NE1 1 1 12 2908 1 1 4 TRP O O -2.493 -1.336 0.848 1.00 . A A . 4 TRP O 1 1 12 2909 1 1 5 PHE C C -1.055 -3.719 -1.136 1.00 . A A . 5 PHE C 1 1 12 2910 1 1 5 PHE CA C -2.557 -3.671 -0.707 1.00 . A A . 5 PHE CA 1 1 12 2911 1 1 5 PHE CB C -3.416 -4.821 -1.330 1.00 . A A . 5 PHE CB 1 1 12 2912 1 1 5 PHE CD1 C -5.513 -4.742 0.115 1.00 . A A . 5 PHE CD1 1 1 12 2913 1 1 5 PHE CD2 C -5.769 -4.659 -2.286 1.00 . A A . 5 PHE CD2 1 1 12 2914 1 1 5 PHE CE1 C -6.891 -4.649 0.262 1.00 . A A . 5 PHE CE1 1 1 12 2915 1 1 5 PHE CE2 C -7.146 -4.557 -2.137 1.00 . A A . 5 PHE CE2 1 1 12 2916 1 1 5 PHE CG C -4.940 -4.757 -1.160 1.00 . A A . 5 PHE CG 1 1 12 2917 1 1 5 PHE CZ C -7.711 -4.557 -0.863 1.00 . A A . 5 PHE CZ 1 1 12 2918 1 1 5 PHE H H -3.917 -2.263 -1.721 1.00 . A A . 5 PHE H 1 1 12 2919 1 1 5 PHE HA H -2.584 -3.811 0.394 1.00 . A A . 5 PHE HA 1 1 12 2920 1 1 5 PHE HB2 H -3.182 -4.915 -2.408 1.00 . A A . 5 PHE HB2 1 1 12 2921 1 1 5 PHE HB3 H -3.063 -5.783 -0.912 1.00 . A A . 5 PHE HB3 1 1 12 2922 1 1 5 PHE HD1 H -4.884 -4.774 0.995 1.00 . A A . 5 PHE HD1 1 1 12 2923 1 1 5 PHE HD2 H -5.346 -4.656 -3.281 1.00 . A A . 5 PHE HD2 1 1 12 2924 1 1 5 PHE HE1 H -7.325 -4.610 1.252 1.00 . A A . 5 PHE HE1 1 1 12 2925 1 1 5 PHE HE2 H -7.780 -4.474 -3.009 1.00 . A A . 5 PHE HE2 1 1 12 2926 1 1 5 PHE HZ H -8.779 -4.461 -0.747 1.00 . A A . 5 PHE HZ 1 1 12 2927 1 1 5 PHE N N -3.137 -2.340 -1.057 1.00 . A A . 5 PHE N 1 1 12 2928 1 1 5 PHE O O -0.142 -3.693 -0.307 1.00 . A A . 5 PHE O 1 1 12 2929 1 1 6 SER C C 1.234 -2.223 -2.905 1.00 . A A . 6 SER C 1 1 12 2930 1 1 6 SER CA C 0.530 -3.608 -3.065 1.00 . A A . 6 SER CA 1 1 12 2931 1 1 6 SER CB C 0.414 -3.969 -4.566 1.00 . A A . 6 SER CB 1 1 12 2932 1 1 6 SER H H -1.676 -3.715 -3.023 1.00 . A A . 6 SER H 1 1 12 2933 1 1 6 SER HA H 1.172 -4.369 -2.576 1.00 . A A . 6 SER HA 1 1 12 2934 1 1 6 SER HB2 H -0.080 -3.152 -5.127 1.00 . A A . 6 SER HB2 1 1 12 2935 1 1 6 SER HB3 H 1.434 -4.058 -4.990 1.00 . A A . 6 SER HB3 1 1 12 2936 1 1 6 SER HG H -0.204 -5.433 -5.714 1.00 . A A . 6 SER HG 1 1 12 2937 1 1 6 SER N N -0.822 -3.679 -2.459 1.00 . A A . 6 SER N 1 1 12 2938 1 1 6 SER O O 2.426 -2.176 -2.613 1.00 . A A . 6 SER O 1 1 12 2939 1 1 6 SER OG O -0.295 -5.192 -4.786 1.00 . A A . 6 SER OG 1 1 12 2940 1 1 7 LYS C C 1.651 0.433 -1.279 1.00 . A A . 7 LYS C 1 1 12 2941 1 1 7 LYS CA C 1.017 0.261 -2.697 1.00 . A A . 7 LYS CA 1 1 12 2942 1 1 7 LYS CB C -0.132 1.296 -2.872 1.00 . A A . 7 LYS CB 1 1 12 2943 1 1 7 LYS CD C -0.140 1.956 -5.342 1.00 . A A . 7 LYS CD 1 1 12 2944 1 1 7 LYS CE C 1.011 2.333 -6.292 1.00 . A A . 7 LYS CE 1 1 12 2945 1 1 7 LYS CG C 0.136 2.407 -3.892 1.00 . A A . 7 LYS CG 1 1 12 2946 1 1 7 LYS H H -0.489 -1.312 -3.164 1.00 . A A . 7 LYS H 1 1 12 2947 1 1 7 LYS HA H 1.833 0.492 -3.409 1.00 . A A . 7 LYS HA 1 1 12 2948 1 1 7 LYS HB2 H -1.105 0.808 -3.073 1.00 . A A . 7 LYS HB2 1 1 12 2949 1 1 7 LYS HB3 H -0.314 1.827 -1.918 1.00 . A A . 7 LYS HB3 1 1 12 2950 1 1 7 LYS HD2 H -0.310 0.859 -5.397 1.00 . A A . 7 LYS HD2 1 1 12 2951 1 1 7 LYS HD3 H -1.122 2.384 -5.637 1.00 . A A . 7 LYS HD3 1 1 12 2952 1 1 7 LYS HE2 H 1.590 3.203 -5.902 1.00 . A A . 7 LYS HE2 1 1 12 2953 1 1 7 LYS HE3 H 1.755 1.500 -6.316 1.00 . A A . 7 LYS HE3 1 1 12 2954 1 1 7 LYS HG2 H -0.514 3.276 -3.652 1.00 . A A . 7 LYS HG2 1 1 12 2955 1 1 7 LYS HG3 H 1.162 2.794 -3.726 1.00 . A A . 7 LYS HG3 1 1 12 2956 1 1 7 LYS HZ1 H 1.180 2.897 -8.333 1.00 . A A . 7 LYS HZ1 1 1 12 2957 1 1 7 LYS HZ2 H -0.058 1.848 -8.057 1.00 . A A . 7 LYS HZ2 1 1 12 2958 1 1 7 LYS HZ3 H -0.203 3.420 -7.623 1.00 . A A . 7 LYS HZ3 1 1 12 2959 1 1 7 LYS N N 0.508 -1.095 -3.068 1.00 . A A . 7 LYS N 1 1 12 2960 1 1 7 LYS NZ N 0.462 2.634 -7.642 1.00 . A A . 7 LYS NZ 1 1 12 2961 1 1 7 LYS O O 2.676 1.105 -1.142 1.00 . A A . 7 LYS O 1 1 12 2962 1 1 8 PHE C C 2.961 -1.035 1.144 1.00 . A A . 8 PHE C 1 1 12 2963 1 1 8 PHE CA C 1.613 -0.257 1.105 1.00 . A A . 8 PHE CA 1 1 12 2964 1 1 8 PHE CB C 0.559 -0.876 2.066 1.00 . A A . 8 PHE CB 1 1 12 2965 1 1 8 PHE CD1 C 1.703 -0.534 4.302 1.00 . A A . 8 PHE CD1 1 1 12 2966 1 1 8 PHE CD2 C -0.413 0.557 3.908 1.00 . A A . 8 PHE CD2 1 1 12 2967 1 1 8 PHE CE1 C 1.787 0.074 5.546 1.00 . A A . 8 PHE CE1 1 1 12 2968 1 1 8 PHE CE2 C -0.336 1.155 5.159 1.00 . A A . 8 PHE CE2 1 1 12 2969 1 1 8 PHE CG C 0.611 -0.286 3.468 1.00 . A A . 8 PHE CG 1 1 12 2970 1 1 8 PHE CZ C 0.769 0.922 5.978 1.00 . A A . 8 PHE CZ 1 1 12 2971 1 1 8 PHE H H 0.276 -0.803 -0.540 1.00 . A A . 8 PHE H 1 1 12 2972 1 1 8 PHE HA H 1.835 0.780 1.432 1.00 . A A . 8 PHE HA 1 1 12 2973 1 1 8 PHE HB2 H -0.456 -0.745 1.670 1.00 . A A . 8 PHE HB2 1 1 12 2974 1 1 8 PHE HB3 H 0.656 -1.979 2.125 1.00 . A A . 8 PHE HB3 1 1 12 2975 1 1 8 PHE HD1 H 2.498 -1.185 3.963 1.00 . A A . 8 PHE HD1 1 1 12 2976 1 1 8 PHE HD2 H -1.271 0.740 3.274 1.00 . A A . 8 PHE HD2 1 1 12 2977 1 1 8 PHE HE1 H 2.642 -0.111 6.181 1.00 . A A . 8 PHE HE1 1 1 12 2978 1 1 8 PHE HE2 H -1.139 1.791 5.501 1.00 . A A . 8 PHE HE2 1 1 12 2979 1 1 8 PHE HZ H 0.834 1.384 6.950 1.00 . A A . 8 PHE HZ 1 1 12 2980 1 1 8 PHE N N 1.021 -0.160 -0.250 1.00 . A A . 8 PHE N 1 1 12 2981 1 1 8 PHE O O 3.992 -0.431 1.447 1.00 . A A . 8 PHE O 1 1 12 2982 1 1 9 LEU C C 5.318 -2.445 -0.284 1.00 . A A . 9 LEU C 1 1 12 2983 1 1 9 LEU CA C 4.196 -3.125 0.561 1.00 . A A . 9 LEU CA 1 1 12 2984 1 1 9 LEU CB C 3.823 -4.515 -0.037 1.00 . A A . 9 LEU CB 1 1 12 2985 1 1 9 LEU CD1 C 2.810 -6.371 1.379 1.00 . A A . 9 LEU CD1 1 1 12 2986 1 1 9 LEU CD2 C 5.007 -6.777 0.146 1.00 . A A . 9 LEU CD2 1 1 12 2987 1 1 9 LEU CG C 4.121 -5.744 0.871 1.00 . A A . 9 LEU CG 1 1 12 2988 1 1 9 LEU H H 2.042 -2.669 0.439 1.00 . A A . 9 LEU H 1 1 12 2989 1 1 9 LEU HA H 4.637 -3.263 1.569 1.00 . A A . 9 LEU HA 1 1 12 2990 1 1 9 LEU HB2 H 2.772 -4.535 -0.389 1.00 . A A . 9 LEU HB2 1 1 12 2991 1 1 9 LEU HB3 H 4.348 -4.643 -1.005 1.00 . A A . 9 LEU HB3 1 1 12 2992 1 1 9 LEU HD11 H 2.955 -7.395 1.770 1.00 . A A . 9 LEU HD11 1 1 12 2993 1 1 9 LEU HD12 H 2.385 -5.777 2.210 1.00 . A A . 9 LEU HD12 1 1 12 2994 1 1 9 LEU HD13 H 2.033 -6.436 0.595 1.00 . A A . 9 LEU HD13 1 1 12 2995 1 1 9 LEU HD21 H 4.820 -6.829 -0.943 1.00 . A A . 9 LEU HD21 1 1 12 2996 1 1 9 LEU HD22 H 6.079 -6.528 0.272 1.00 . A A . 9 LEU HD22 1 1 12 2997 1 1 9 LEU HD23 H 4.883 -7.804 0.537 1.00 . A A . 9 LEU HD23 1 1 12 2998 1 1 9 LEU HG H 4.694 -5.441 1.772 1.00 . A A . 9 LEU HG 1 1 12 2999 1 1 9 LEU N N 2.956 -2.327 0.761 1.00 . A A . 9 LEU N 1 1 12 3000 1 1 9 LEU O O 6.465 -2.497 0.128 1.00 . A A . 9 LEU O 1 1 12 3001 1 1 10 GLY C C 6.721 0.192 -1.400 1.00 . A A . 10 GLY C 1 1 12 3002 1 1 10 GLY CA C 5.965 -0.928 -2.159 1.00 . A A . 10 GLY CA 1 1 12 3003 1 1 10 GLY H H 3.978 -1.767 -1.570 1.00 . A A . 10 GLY H 1 1 12 3004 1 1 10 GLY HA2 H 6.713 -1.588 -2.636 1.00 . A A . 10 GLY HA2 1 1 12 3005 1 1 10 GLY HA3 H 5.430 -0.454 -3.000 1.00 . A A . 10 GLY HA3 1 1 12 3006 1 1 10 GLY N N 4.995 -1.769 -1.401 1.00 . A A . 10 GLY N 1 1 12 3007 1 1 10 GLY O O 7.943 0.291 -1.505 1.00 . A A . 10 GLY O 1 1 12 3008 1 1 11 ARG C C 7.436 1.313 1.524 1.00 . A A . 11 ARG C 1 1 12 3009 1 1 11 ARG CA C 6.635 1.958 0.349 1.00 . A A . 11 ARG CA 1 1 12 3010 1 1 11 ARG CB C 5.517 2.895 0.894 1.00 . A A . 11 ARG CB 1 1 12 3011 1 1 11 ARG CD C 6.064 5.357 0.400 1.00 . A A . 11 ARG CD 1 1 12 3012 1 1 11 ARG CG C 5.233 4.124 -0.005 1.00 . A A . 11 ARG CG 1 1 12 3013 1 1 11 ARG CZ C 5.991 6.986 2.307 1.00 . A A . 11 ARG CZ 1 1 12 3014 1 1 11 ARG H H 5.032 0.703 -0.523 1.00 . A A . 11 ARG H 1 1 12 3015 1 1 11 ARG HA H 7.385 2.567 -0.196 1.00 . A A . 11 ARG HA 1 1 12 3016 1 1 11 ARG HB2 H 4.590 2.314 1.076 1.00 . A A . 11 ARG HB2 1 1 12 3017 1 1 11 ARG HB3 H 5.786 3.244 1.913 1.00 . A A . 11 ARG HB3 1 1 12 3018 1 1 11 ARG HD2 H 7.107 5.038 0.623 1.00 . A A . 11 ARG HD2 1 1 12 3019 1 1 11 ARG HD3 H 6.142 6.053 -0.461 1.00 . A A . 11 ARG HD3 1 1 12 3020 1 1 11 ARG HE H 4.490 5.766 1.881 1.00 . A A . 11 ARG HE 1 1 12 3021 1 1 11 ARG HG2 H 5.458 3.860 -1.059 1.00 . A A . 11 ARG HG2 1 1 12 3022 1 1 11 ARG HG3 H 4.148 4.346 -0.020 1.00 . A A . 11 ARG HG3 1 1 12 3023 1 1 11 ARG HH11 H 7.578 8.142 2.731 1.00 . A A . 11 ARG HH11 1 1 12 3024 1 1 11 ARG HH12 H 7.693 6.949 1.350 1.00 . A A . 11 ARG HH12 1 1 12 3025 1 1 11 ARG HH21 H 5.760 8.226 3.833 1.00 . A A . 11 ARG HH21 1 1 12 3026 1 1 11 ARG HH22 H 4.361 7.134 3.424 1.00 . A A . 11 ARG HH22 1 1 12 3027 1 1 11 ARG N N 6.003 1.021 -0.631 1.00 . A A . 11 ARG N 1 1 12 3028 1 1 11 ARG NE N 5.427 6.038 1.567 1.00 . A A . 11 ARG NE 1 1 12 3029 1 1 11 ARG NH1 N 7.200 7.427 2.108 1.00 . A A . 11 ARG NH1 1 1 12 3030 1 1 11 ARG NH2 N 5.304 7.499 3.278 1.00 . A A . 11 ARG NH2 1 1 12 3031 1 1 11 ARG O O 8.577 1.708 1.768 1.00 . A A . 11 ARG O 1 1 12 3032 1 1 12 ILE C C 8.755 -1.268 2.843 1.00 . A A . 12 ILE C 1 1 12 3033 1 1 12 ILE CA C 7.525 -0.421 3.328 1.00 . A A . 12 ILE CA 1 1 12 3034 1 1 12 ILE CB C 6.481 -1.296 4.115 1.00 . A A . 12 ILE CB 1 1 12 3035 1 1 12 ILE CD1 C 5.412 0.601 5.596 1.00 . A A . 12 ILE CD1 1 1 12 3036 1 1 12 ILE CG1 C 5.203 -0.552 4.598 1.00 . A A . 12 ILE CG1 1 1 12 3037 1 1 12 ILE CG2 C 7.098 -2.029 5.335 1.00 . A A . 12 ILE CG2 1 1 12 3038 1 1 12 ILE H H 5.899 0.100 1.908 1.00 . A A . 12 ILE H 1 1 12 3039 1 1 12 ILE HA H 7.947 0.307 4.048 1.00 . A A . 12 ILE HA 1 1 12 3040 1 1 12 ILE HB H 6.137 -2.081 3.409 1.00 . A A . 12 ILE HB 1 1 12 3041 1 1 12 ILE HD11 H 4.518 1.245 5.668 1.00 . A A . 12 ILE HD11 1 1 12 3042 1 1 12 ILE HD12 H 5.623 0.211 6.609 1.00 . A A . 12 ILE HD12 1 1 12 3043 1 1 12 ILE HD13 H 6.257 1.252 5.309 1.00 . A A . 12 ILE HD13 1 1 12 3044 1 1 12 ILE HG12 H 4.669 -0.144 3.723 1.00 . A A . 12 ILE HG12 1 1 12 3045 1 1 12 ILE HG13 H 4.495 -1.291 5.020 1.00 . A A . 12 ILE HG13 1 1 12 3046 1 1 12 ILE HG21 H 7.532 -1.313 6.058 1.00 . A A . 12 ILE HG21 1 1 12 3047 1 1 12 ILE HG22 H 6.361 -2.645 5.881 1.00 . A A . 12 ILE HG22 1 1 12 3048 1 1 12 ILE HG23 H 7.920 -2.710 5.042 1.00 . A A . 12 ILE HG23 1 1 12 3049 1 1 12 ILE N N 6.832 0.364 2.252 1.00 . A A . 12 ILE N 1 1 12 3050 1 1 12 ILE O O 9.733 -1.390 3.582 1.00 . A A . 12 ILE O 1 1 12 3051 1 1 13 LEU C C 11.202 -1.661 0.954 1.00 . A A . 13 LEU C 1 1 12 3052 1 1 13 LEU CA C 9.865 -2.477 0.944 1.00 . A A . 13 LEU CA 1 1 12 3053 1 1 13 LEU CB C 9.422 -2.840 -0.517 1.00 . A A . 13 LEU CB 1 1 12 3054 1 1 13 LEU CD1 C 8.255 -4.391 -2.138 1.00 . A A . 13 LEU CD1 1 1 12 3055 1 1 13 LEU CD2 C 10.085 -5.278 -0.665 1.00 . A A . 13 LEU CD2 1 1 12 3056 1 1 13 LEU CG C 8.917 -4.282 -0.752 1.00 . A A . 13 LEU CG 1 1 12 3057 1 1 13 LEU H H 7.825 -1.669 1.124 1.00 . A A . 13 LEU H 1 1 12 3058 1 1 13 LEU HA H 10.072 -3.406 1.509 1.00 . A A . 13 LEU HA 1 1 12 3059 1 1 13 LEU HB2 H 8.665 -2.116 -0.875 1.00 . A A . 13 LEU HB2 1 1 12 3060 1 1 13 LEU HB3 H 10.253 -2.662 -1.225 1.00 . A A . 13 LEU HB3 1 1 12 3061 1 1 13 LEU HD11 H 8.016 -5.436 -2.408 1.00 . A A . 13 LEU HD11 1 1 12 3062 1 1 13 LEU HD12 H 7.305 -3.829 -2.177 1.00 . A A . 13 LEU HD12 1 1 12 3063 1 1 13 LEU HD13 H 8.904 -3.990 -2.940 1.00 . A A . 13 LEU HD13 1 1 12 3064 1 1 13 LEU HD21 H 9.729 -6.320 -0.582 1.00 . A A . 13 LEU HD21 1 1 12 3065 1 1 13 LEU HD22 H 10.749 -5.220 -1.548 1.00 . A A . 13 LEU HD22 1 1 12 3066 1 1 13 LEU HD23 H 10.728 -5.097 0.217 1.00 . A A . 13 LEU HD23 1 1 12 3067 1 1 13 LEU HG H 8.160 -4.535 0.020 1.00 . A A . 13 LEU HG 1 1 12 3068 1 1 13 LEU N N 8.713 -1.824 1.621 1.00 . A A . 13 LEU N 1 1 12 3069 1 1 13 LEU O O 12.207 -2.073 1.523 1.00 . A A . 13 LEU O 1 1 12 3070 1 1 14 NH2 HN1 H 12.118 0.025 0.577 1.00 . A A . 14 NH2 HN1 1 1 12 3071 1 1 14 NH2 HN2 H 10.361 -0.127 0.035 1.00 . A A . 14 NH2 HN2 1 1 12 3072 1 1 14 NH2 N N 11.266 -0.490 0.351 1.00 . A A . 14 NH2 N 1 1 13 3073 1 1 1 PHE C C -10.796 4.507 0.313 1.00 . A A . 1 PHE C 1 1 13 3074 1 1 1 PHE CA C -10.899 5.991 0.794 1.00 . A A . 1 PHE CA 1 1 13 3075 1 1 1 PHE CB C -9.720 6.423 1.721 1.00 . A A . 1 PHE CB 1 1 13 3076 1 1 1 PHE CD1 C -10.087 5.746 4.160 1.00 . A A . 1 PHE CD1 1 1 13 3077 1 1 1 PHE CD2 C -8.563 4.434 2.827 1.00 . A A . 1 PHE CD2 1 1 13 3078 1 1 1 PHE CE1 C -9.898 4.871 5.225 1.00 . A A . 1 PHE CE1 1 1 13 3079 1 1 1 PHE CE2 C -8.386 3.551 3.884 1.00 . A A . 1 PHE CE2 1 1 13 3080 1 1 1 PHE CG C -9.427 5.527 2.944 1.00 . A A . 1 PHE CG 1 1 13 3081 1 1 1 PHE CZ C -9.054 3.772 5.089 1.00 . A A . 1 PHE CZ 1 1 13 3082 1 1 1 PHE H1 H -12.342 7.236 1.737 1.00 . A A . 1 PHE H1 1 1 13 3083 1 1 1 PHE H2 H -13.001 5.964 0.889 1.00 . A A . 1 PHE H2 1 1 13 3084 1 1 1 PHE H3 H -12.268 5.684 2.318 1.00 . A A . 1 PHE H3 1 1 13 3085 1 1 1 PHE HA H -10.854 6.622 -0.118 1.00 . A A . 1 PHE HA 1 1 13 3086 1 1 1 PHE HB2 H -8.799 6.470 1.104 1.00 . A A . 1 PHE HB2 1 1 13 3087 1 1 1 PHE HB3 H -9.846 7.474 2.045 1.00 . A A . 1 PHE HB3 1 1 13 3088 1 1 1 PHE HD1 H -10.750 6.589 4.283 1.00 . A A . 1 PHE HD1 1 1 13 3089 1 1 1 PHE HD2 H -8.042 4.245 1.899 1.00 . A A . 1 PHE HD2 1 1 13 3090 1 1 1 PHE HE1 H -10.410 5.040 6.164 1.00 . A A . 1 PHE HE1 1 1 13 3091 1 1 1 PHE HE2 H -7.742 2.690 3.775 1.00 . A A . 1 PHE HE2 1 1 13 3092 1 1 1 PHE HZ H -8.913 3.091 5.915 1.00 . A A . 1 PHE HZ 1 1 13 3093 1 1 1 PHE N N -12.202 6.257 1.466 1.00 . A A . 1 PHE N 1 1 13 3094 1 1 1 PHE O O -11.423 3.623 0.903 1.00 . A A . 1 PHE O 1 1 13 3095 1 1 2 VAL C C -8.549 2.171 -0.200 1.00 . A A . 2 VAL C 1 1 13 3096 1 1 2 VAL CA C -9.674 2.825 -1.106 1.00 . A A . 2 VAL CA 1 1 13 3097 1 1 2 VAL CB C -9.389 2.745 -2.639 1.00 . A A . 2 VAL CB 1 1 13 3098 1 1 2 VAL CG1 C -7.982 3.224 -3.031 1.00 . A A . 2 VAL CG1 1 1 13 3099 1 1 2 VAL CG2 C -9.585 1.319 -3.199 1.00 . A A . 2 VAL CG2 1 1 13 3100 1 1 2 VAL H H -9.411 4.996 -1.087 1.00 . A A . 2 VAL H 1 1 13 3101 1 1 2 VAL HA H -10.617 2.263 -0.972 1.00 . A A . 2 VAL HA 1 1 13 3102 1 1 2 VAL HB H -10.126 3.387 -3.162 1.00 . A A . 2 VAL HB 1 1 13 3103 1 1 2 VAL HG11 H -7.719 4.194 -2.570 1.00 . A A . 2 VAL HG11 1 1 13 3104 1 1 2 VAL HG12 H -7.211 2.506 -2.688 1.00 . A A . 2 VAL HG12 1 1 13 3105 1 1 2 VAL HG13 H -7.862 3.331 -4.123 1.00 . A A . 2 VAL HG13 1 1 13 3106 1 1 2 VAL HG21 H -9.432 1.268 -4.292 1.00 . A A . 2 VAL HG21 1 1 13 3107 1 1 2 VAL HG22 H -8.884 0.590 -2.745 1.00 . A A . 2 VAL HG22 1 1 13 3108 1 1 2 VAL HG23 H -10.609 0.942 -3.011 1.00 . A A . 2 VAL HG23 1 1 13 3109 1 1 2 VAL N N -9.976 4.229 -0.711 1.00 . A A . 2 VAL N 1 1 13 3110 1 1 2 VAL O O -7.514 2.809 0.034 1.00 . A A . 2 VAL O 1 1 13 3111 1 1 3 . C C -6.454 -0.269 0.061 1.00 . A A . 3 PH6 C 1 1 13 3112 1 1 3 . C1 C -12.547 -1.725 3.327 1.00 . A A . 3 PH6 C1 1 1 13 3113 1 1 3 . C2 C -11.330 -1.070 2.662 1.00 . A A . 3 PH6 C2 1 1 13 3114 1 1 3 . C3 C -10.804 -1.896 1.438 1.00 . A A . 3 PH6 C3 1 1 13 3115 1 1 3 . C4 C -11.957 -2.167 0.418 1.00 . A A . 3 PH6 C4 1 1 13 3116 1 1 3 . C5 C -13.188 -2.801 1.100 1.00 . A A . 3 PH6 C5 1 1 13 3117 1 1 3 . C6 C -13.672 -1.934 2.289 1.00 . A A . 3 PH6 C6 1 1 13 3118 1 1 3 . CA C -7.603 0.184 0.999 1.00 . A A . 3 PH6 CA 1 1 13 3119 1 1 3 . CB C -8.358 -0.992 1.629 1.00 . A A . 3 PH6 CB 1 1 13 3120 1 1 3 . CD C -9.900 0.117 0.115 1.00 . A A . 3 PH6 CD 1 1 13 3121 1 1 3 . CG C -9.588 -1.243 0.737 1.00 . A A . 3 PH6 CG 1 1 13 3122 1 1 3 . H1 H -12.243 -2.691 3.776 1.00 . A A . 3 PH6 H1 1 1 13 3123 1 1 3 . H21 H -11.619 -0.046 2.363 1.00 . A A . 3 PH6 H21 1 1 13 3124 1 1 3 . H22 H -12.894 -1.093 4.166 1.00 . A A . 3 PH6 H22 1 1 13 3125 1 1 3 . H31 H -10.463 -2.881 1.814 1.00 . A A . 3 PH6 H31 1 1 13 3126 1 1 3 . H32 H -10.547 -0.931 3.426 1.00 . A A . 3 PH6 H32 1 1 13 3127 1 1 3 . H41 H -11.605 -2.814 -0.410 1.00 . A A . 3 PH6 H41 1 1 13 3128 1 1 3 . H42 H -12.275 -1.225 -0.071 1.00 . A A . 3 PH6 H42 1 1 13 3129 1 1 3 . H51 H -14.004 -2.940 0.366 1.00 . A A . 3 PH6 H51 1 1 13 3130 1 1 3 . H52 H -12.927 -3.817 1.455 1.00 . A A . 3 PH6 H52 1 1 13 3131 1 1 3 . H61 H -14.549 -2.397 2.774 1.00 . A A . 3 PH6 H61 1 1 13 3132 1 1 3 . H62 H -14.019 -0.950 1.915 1.00 . A A . 3 PH6 H62 1 1 13 3133 1 1 3 . HA H -7.192 0.806 1.821 1.00 . A A . 3 PH6 HA 1 1 13 3134 1 1 3 . HB2 H -8.621 -0.727 2.665 1.00 . A A . 3 PH6 HB2 1 1 13 3135 1 1 3 . HB3 H -7.736 -1.897 1.716 1.00 . A A . 3 PH6 HB3 1 1 13 3136 1 1 3 . HD2 H -10.737 0.641 0.610 1.00 . A A . 3 PH6 HD2 1 1 13 3137 1 1 3 . HD3 H -10.197 -0.018 -0.939 1.00 . A A . 3 PH6 HD3 1 1 13 3138 1 1 3 . HG2 H -9.253 -1.907 -0.088 1.00 . A A . 3 PH6 HG2 1 1 13 3139 1 1 3 . N N -8.679 0.906 0.278 1.00 . A A . 3 PH6 N 1 1 13 3140 1 1 3 . O O -6.451 -1.356 -0.529 1.00 . A A . 3 PH6 O 1 1 13 3141 1 1 4 TRP C C -3.254 -0.570 -0.160 1.00 . A A . 4 TRP C 1 1 13 3142 1 1 4 TRP CA C -4.290 0.320 -0.912 1.00 . A A . 4 TRP CA 1 1 13 3143 1 1 4 TRP CB C -3.692 1.654 -1.395 1.00 . A A . 4 TRP CB 1 1 13 3144 1 1 4 TRP CD1 C -4.615 1.595 -3.861 1.00 . A A . 4 TRP CD1 1 1 13 3145 1 1 4 TRP CD2 C -4.455 3.617 -2.944 1.00 . A A . 4 TRP CD2 1 1 13 3146 1 1 4 TRP CE2 C -4.934 3.728 -4.274 1.00 . A A . 4 TRP CE2 1 1 13 3147 1 1 4 TRP CE3 C -4.276 4.777 -2.145 1.00 . A A . 4 TRP CE3 1 1 13 3148 1 1 4 TRP CG C -4.272 2.276 -2.669 1.00 . A A . 4 TRP CG 1 1 13 3149 1 1 4 TRP CH2 C -5.121 6.121 -3.992 1.00 . A A . 4 TRP CH2 1 1 13 3150 1 1 4 TRP CZ2 C -5.293 4.990 -4.794 1.00 . A A . 4 TRP CZ2 1 1 13 3151 1 1 4 TRP CZ3 C -4.609 6.016 -2.692 1.00 . A A . 4 TRP CZ3 1 1 13 3152 1 1 4 TRP H H -5.692 1.539 0.294 1.00 . A A . 4 TRP H 1 1 13 3153 1 1 4 TRP HA H -4.625 -0.233 -1.814 1.00 . A A . 4 TRP HA 1 1 13 3154 1 1 4 TRP HB2 H -3.641 2.388 -0.566 1.00 . A A . 4 TRP HB2 1 1 13 3155 1 1 4 TRP HB3 H -2.652 1.437 -1.638 1.00 . A A . 4 TRP HB3 1 1 13 3156 1 1 4 TRP HD1 H -4.576 0.520 -3.985 1.00 . A A . 4 TRP HD1 1 1 13 3157 1 1 4 TRP HE1 H -5.470 2.250 -5.769 1.00 . A A . 4 TRP HE1 1 1 13 3158 1 1 4 TRP HE3 H -3.906 4.707 -1.131 1.00 . A A . 4 TRP HE3 1 1 13 3159 1 1 4 TRP HH2 H -5.396 7.092 -4.381 1.00 . A A . 4 TRP HH2 1 1 13 3160 1 1 4 TRP HZ2 H -5.714 5.072 -5.786 1.00 . A A . 4 TRP HZ2 1 1 13 3161 1 1 4 TRP HZ3 H -4.481 6.911 -2.099 1.00 . A A . 4 TRP HZ3 1 1 13 3162 1 1 4 TRP N N -5.462 0.608 -0.072 1.00 . A A . 4 TRP N 1 1 13 3163 1 1 4 TRP NE1 N -5.031 2.481 -4.868 1.00 . A A . 4 TRP NE1 1 1 13 3164 1 1 4 TRP O O -2.471 -0.106 0.675 1.00 . A A . 4 TRP O 1 1 13 3165 1 1 5 PHE C C -0.935 -2.904 -0.557 1.00 . A A . 5 PHE C 1 1 13 3166 1 1 5 PHE CA C -2.352 -2.872 0.100 1.00 . A A . 5 PHE CA 1 1 13 3167 1 1 5 PHE CB C -3.017 -4.280 0.058 1.00 . A A . 5 PHE CB 1 1 13 3168 1 1 5 PHE CD1 C -5.456 -4.787 -0.434 1.00 . A A . 5 PHE CD1 1 1 13 3169 1 1 5 PHE CD2 C -4.877 -4.039 1.789 1.00 . A A . 5 PHE CD2 1 1 13 3170 1 1 5 PHE CE1 C -6.793 -4.848 -0.067 1.00 . A A . 5 PHE CE1 1 1 13 3171 1 1 5 PHE CE2 C -6.215 -4.104 2.156 1.00 . A A . 5 PHE CE2 1 1 13 3172 1 1 5 PHE CG C -4.485 -4.390 0.493 1.00 . A A . 5 PHE CG 1 1 13 3173 1 1 5 PHE CZ C -7.176 -4.514 1.231 1.00 . A A . 5 PHE CZ 1 1 13 3174 1 1 5 PHE H H -4.087 -2.125 -1.046 1.00 . A A . 5 PHE H 1 1 13 3175 1 1 5 PHE HA H -2.211 -2.613 1.171 1.00 . A A . 5 PHE HA 1 1 13 3176 1 1 5 PHE HB2 H -2.905 -4.707 -0.957 1.00 . A A . 5 PHE HB2 1 1 13 3177 1 1 5 PHE HB3 H -2.422 -4.964 0.693 1.00 . A A . 5 PHE HB3 1 1 13 3178 1 1 5 PHE HD1 H -5.177 -5.041 -1.448 1.00 . A A . 5 PHE HD1 1 1 13 3179 1 1 5 PHE HD2 H -4.145 -3.689 2.504 1.00 . A A . 5 PHE HD2 1 1 13 3180 1 1 5 PHE HE1 H -7.539 -5.148 -0.790 1.00 . A A . 5 PHE HE1 1 1 13 3181 1 1 5 PHE HE2 H -6.516 -3.810 3.152 1.00 . A A . 5 PHE HE2 1 1 13 3182 1 1 5 PHE HZ H -8.217 -4.549 1.510 1.00 . A A . 5 PHE HZ 1 1 13 3183 1 1 5 PHE N N -3.240 -1.851 -0.531 1.00 . A A . 5 PHE N 1 1 13 3184 1 1 5 PHE O O 0.076 -2.743 0.128 1.00 . A A . 5 PHE O 1 1 13 3185 1 1 6 SER C C 1.161 -1.501 -2.436 1.00 . A A . 6 SER C 1 1 13 3186 1 1 6 SER CA C 0.363 -2.820 -2.703 1.00 . A A . 6 SER CA 1 1 13 3187 1 1 6 SER CB C -0.023 -2.921 -4.202 1.00 . A A . 6 SER CB 1 1 13 3188 1 1 6 SER H H -1.809 -3.087 -2.324 1.00 . A A . 6 SER H 1 1 13 3189 1 1 6 SER HA H 1.062 -3.648 -2.466 1.00 . A A . 6 SER HA 1 1 13 3190 1 1 6 SER HB2 H -1.015 -2.474 -4.414 1.00 . A A . 6 SER HB2 1 1 13 3191 1 1 6 SER HB3 H 0.679 -2.337 -4.830 1.00 . A A . 6 SER HB3 1 1 13 3192 1 1 6 SER HG H -0.256 -4.854 -3.953 1.00 . A A . 6 SER HG 1 1 13 3193 1 1 6 SER N N -0.876 -3.037 -1.900 1.00 . A A . 6 SER N 1 1 13 3194 1 1 6 SER O O 2.386 -1.543 -2.351 1.00 . A A . 6 SER O 1 1 13 3195 1 1 6 SER OG O 0.016 -4.268 -4.667 1.00 . A A . 6 SER OG 1 1 13 3196 1 1 7 LYS C C 1.961 0.753 -0.399 1.00 . A A . 7 LYS C 1 1 13 3197 1 1 7 LYS CA C 1.136 0.894 -1.718 1.00 . A A . 7 LYS CA 1 1 13 3198 1 1 7 LYS CB C 0.045 1.976 -1.501 1.00 . A A . 7 LYS CB 1 1 13 3199 1 1 7 LYS CD C 0.284 3.683 -3.408 1.00 . A A . 7 LYS CD 1 1 13 3200 1 1 7 LYS CE C 0.095 3.811 -4.932 1.00 . A A . 7 LYS CE 1 1 13 3201 1 1 7 LYS CG C -0.565 2.554 -2.798 1.00 . A A . 7 LYS CG 1 1 13 3202 1 1 7 LYS H H -0.521 -0.507 -2.215 1.00 . A A . 7 LYS H 1 1 13 3203 1 1 7 LYS HA H 1.856 1.254 -2.478 1.00 . A A . 7 LYS HA 1 1 13 3204 1 1 7 LYS HB2 H -0.731 1.549 -0.835 1.00 . A A . 7 LYS HB2 1 1 13 3205 1 1 7 LYS HB3 H 0.444 2.811 -0.890 1.00 . A A . 7 LYS HB3 1 1 13 3206 1 1 7 LYS HD2 H -0.031 4.626 -2.914 1.00 . A A . 7 LYS HD2 1 1 13 3207 1 1 7 LYS HD3 H 1.351 3.591 -3.112 1.00 . A A . 7 LYS HD3 1 1 13 3208 1 1 7 LYS HE2 H -0.893 3.398 -5.253 1.00 . A A . 7 LYS HE2 1 1 13 3209 1 1 7 LYS HE3 H 0.031 4.888 -5.211 1.00 . A A . 7 LYS HE3 1 1 13 3210 1 1 7 LYS HG2 H -0.773 1.732 -3.514 1.00 . A A . 7 LYS HG2 1 1 13 3211 1 1 7 LYS HG3 H -1.559 2.987 -2.582 1.00 . A A . 7 LYS HG3 1 1 13 3212 1 1 7 LYS HZ1 H 1.183 3.161 -6.650 1.00 . A A . 7 LYS HZ1 1 1 13 3213 1 1 7 LYS HZ2 H 2.143 3.553 -5.381 1.00 . A A . 7 LYS HZ2 1 1 13 3214 1 1 7 LYS HZ3 H 1.325 2.139 -5.369 1.00 . A A . 7 LYS HZ3 1 1 13 3215 1 1 7 LYS N N 0.491 -0.346 -2.263 1.00 . A A . 7 LYS N 1 1 13 3216 1 1 7 LYS NZ N 1.234 3.134 -5.621 1.00 . A A . 7 LYS NZ 1 1 13 3217 1 1 7 LYS O O 3.045 1.332 -0.296 1.00 . A A . 7 LYS O 1 1 13 3218 1 1 8 PHE C C 3.484 -1.247 1.452 1.00 . A A . 8 PHE C 1 1 13 3219 1 1 8 PHE CA C 2.207 -0.411 1.781 1.00 . A A . 8 PHE CA 1 1 13 3220 1 1 8 PHE CB C 1.241 -1.154 2.753 1.00 . A A . 8 PHE CB 1 1 13 3221 1 1 8 PHE CD1 C 2.799 -1.398 4.752 1.00 . A A . 8 PHE CD1 1 1 13 3222 1 1 8 PHE CD2 C 0.728 -0.196 5.040 1.00 . A A . 8 PHE CD2 1 1 13 3223 1 1 8 PHE CE1 C 3.149 -1.109 6.065 1.00 . A A . 8 PHE CE1 1 1 13 3224 1 1 8 PHE CE2 C 1.075 0.082 6.358 1.00 . A A . 8 PHE CE2 1 1 13 3225 1 1 8 PHE CG C 1.592 -0.928 4.223 1.00 . A A . 8 PHE CG 1 1 13 3226 1 1 8 PHE CZ C 2.294 -0.363 6.867 1.00 . A A . 8 PHE CZ 1 1 13 3227 1 1 8 PHE H H 0.624 -0.555 0.284 1.00 . A A . 8 PHE H 1 1 13 3228 1 1 8 PHE HA H 2.558 0.522 2.267 1.00 . A A . 8 PHE HA 1 1 13 3229 1 1 8 PHE HB2 H 0.184 -0.874 2.572 1.00 . A A . 8 PHE HB2 1 1 13 3230 1 1 8 PHE HB3 H 1.241 -2.244 2.551 1.00 . A A . 8 PHE HB3 1 1 13 3231 1 1 8 PHE HD1 H 3.478 -1.965 4.131 1.00 . A A . 8 PHE HD1 1 1 13 3232 1 1 8 PHE HD2 H -0.218 0.155 4.650 1.00 . A A . 8 PHE HD2 1 1 13 3233 1 1 8 PHE HE1 H 4.089 -1.457 6.469 1.00 . A A . 8 PHE HE1 1 1 13 3234 1 1 8 PHE HE2 H 0.397 0.634 6.990 1.00 . A A . 8 PHE HE2 1 1 13 3235 1 1 8 PHE HZ H 2.575 -0.144 7.885 1.00 . A A . 8 PHE HZ 1 1 13 3236 1 1 8 PHE N N 1.441 -0.007 0.579 1.00 . A A . 8 PHE N 1 1 13 3237 1 1 8 PHE O O 4.593 -0.771 1.705 1.00 . A A . 8 PHE O 1 1 13 3238 1 1 9 LEU C C 5.517 -2.475 -0.540 1.00 . A A . 9 LEU C 1 1 13 3239 1 1 9 LEU CA C 4.464 -3.244 0.312 1.00 . A A . 9 LEU CA 1 1 13 3240 1 1 9 LEU CB C 3.917 -4.485 -0.462 1.00 . A A . 9 LEU CB 1 1 13 3241 1 1 9 LEU CD1 C 2.978 -6.606 0.604 1.00 . A A . 9 LEU CD1 1 1 13 3242 1 1 9 LEU CD2 C 5.106 -6.723 -0.757 1.00 . A A . 9 LEU CD2 1 1 13 3243 1 1 9 LEU CG C 4.255 -5.857 0.188 1.00 . A A . 9 LEU CG 1 1 13 3244 1 1 9 LEU H H 2.351 -2.654 0.598 1.00 . A A . 9 LEU H 1 1 13 3245 1 1 9 LEU HA H 5.026 -3.582 1.207 1.00 . A A . 9 LEU HA 1 1 13 3246 1 1 9 LEU HB2 H 2.829 -4.396 -0.648 1.00 . A A . 9 LEU HB2 1 1 13 3247 1 1 9 LEU HB3 H 4.296 -4.470 -1.504 1.00 . A A . 9 LEU HB3 1 1 13 3248 1 1 9 LEU HD11 H 2.198 -5.923 0.990 1.00 . A A . 9 LEU HD11 1 1 13 3249 1 1 9 LEU HD12 H 2.529 -7.174 -0.231 1.00 . A A . 9 LEU HD12 1 1 13 3250 1 1 9 LEU HD13 H 3.186 -7.328 1.416 1.00 . A A . 9 LEU HD13 1 1 13 3251 1 1 9 LEU HD21 H 6.075 -6.239 -0.987 1.00 . A A . 9 LEU HD21 1 1 13 3252 1 1 9 LEU HD22 H 5.343 -7.711 -0.320 1.00 . A A . 9 LEU HD22 1 1 13 3253 1 1 9 LEU HD23 H 4.602 -6.907 -1.724 1.00 . A A . 9 LEU HD23 1 1 13 3254 1 1 9 LEU HG H 4.858 -5.713 1.108 1.00 . A A . 9 LEU HG 1 1 13 3255 1 1 9 LEU N N 3.325 -2.435 0.833 1.00 . A A . 9 LEU N 1 1 13 3256 1 1 9 LEU O O 6.701 -2.651 -0.299 1.00 . A A . 9 LEU O 1 1 13 3257 1 1 10 GLY C C 6.964 0.241 -1.355 1.00 . A A . 10 GLY C 1 1 13 3258 1 1 10 GLY CA C 6.025 -0.671 -2.184 1.00 . A A . 10 GLY CA 1 1 13 3259 1 1 10 GLY H H 4.077 -1.499 -1.469 1.00 . A A . 10 GLY H 1 1 13 3260 1 1 10 GLY HA2 H 6.645 -1.263 -2.880 1.00 . A A . 10 GLY HA2 1 1 13 3261 1 1 10 GLY HA3 H 5.420 -0.014 -2.833 1.00 . A A . 10 GLY HA3 1 1 13 3262 1 1 10 GLY N N 5.103 -1.592 -1.462 1.00 . A A . 10 GLY N 1 1 13 3263 1 1 10 GLY O O 8.157 0.321 -1.640 1.00 . A A . 10 GLY O 1 1 13 3264 1 1 11 ARG C C 8.173 0.748 1.580 1.00 . A A . 11 ARG C 1 1 13 3265 1 1 11 ARG CA C 7.260 1.643 0.680 1.00 . A A . 11 ARG CA 1 1 13 3266 1 1 11 ARG CB C 6.302 2.499 1.556 1.00 . A A . 11 ARG CB 1 1 13 3267 1 1 11 ARG CD C 6.376 5.029 1.073 1.00 . A A . 11 ARG CD 1 1 13 3268 1 1 11 ARG CG C 5.646 3.695 0.820 1.00 . A A . 11 ARG CG 1 1 13 3269 1 1 11 ARG CZ C 6.034 6.966 2.620 1.00 . A A . 11 ARG CZ 1 1 13 3270 1 1 11 ARG H H 5.466 0.625 -0.126 1.00 . A A . 11 ARG H 1 1 13 3271 1 1 11 ARG HA H 7.953 2.323 0.144 1.00 . A A . 11 ARG HA 1 1 13 3272 1 1 11 ARG HB2 H 5.523 1.841 1.992 1.00 . A A . 11 ARG HB2 1 1 13 3273 1 1 11 ARG HB3 H 6.851 2.858 2.452 1.00 . A A . 11 ARG HB3 1 1 13 3274 1 1 11 ARG HD2 H 7.419 4.839 1.414 1.00 . A A . 11 ARG HD2 1 1 13 3275 1 1 11 ARG HD3 H 6.484 5.579 0.115 1.00 . A A . 11 ARG HD3 1 1 13 3276 1 1 11 ARG HE H 4.682 5.539 2.375 1.00 . A A . 11 ARG HE 1 1 13 3277 1 1 11 ARG HG2 H 5.638 3.496 -0.270 1.00 . A A . 11 ARG HG2 1 1 13 3278 1 1 11 ARG HG3 H 4.567 3.731 1.067 1.00 . A A . 11 ARG HG3 1 1 13 3279 1 1 11 ARG HH11 H 7.483 8.335 2.877 1.00 . A A . 11 ARG HH11 1 1 13 3280 1 1 11 ARG HH12 H 7.792 6.911 1.774 1.00 . A A . 11 ARG HH12 1 1 13 3281 1 1 11 ARG HH21 H 5.586 8.450 3.849 1.00 . A A . 11 ARG HH21 1 1 13 3282 1 1 11 ARG HH22 H 4.324 7.161 3.596 1.00 . A A . 11 ARG HH22 1 1 13 3283 1 1 11 ARG N N 6.429 0.919 -0.332 1.00 . A A . 11 ARG N 1 1 13 3284 1 1 11 ARG NE N 5.611 5.839 2.063 1.00 . A A . 11 ARG NE 1 1 13 3285 1 1 11 ARG NH1 N 7.210 7.478 2.394 1.00 . A A . 11 ARG NH1 1 1 13 3286 1 1 11 ARG NH2 N 5.237 7.586 3.429 1.00 . A A . 11 ARG NH2 1 1 13 3287 1 1 11 ARG O O 9.364 1.029 1.708 1.00 . A A . 11 ARG O 1 1 13 3288 1 1 12 ILE C C 9.456 -2.122 2.202 1.00 . A A . 12 ILE C 1 1 13 3289 1 1 12 ILE CA C 8.381 -1.305 3.003 1.00 . A A . 12 ILE CA 1 1 13 3290 1 1 12 ILE CB C 7.393 -2.253 3.777 1.00 . A A . 12 ILE CB 1 1 13 3291 1 1 12 ILE CD1 C 6.712 -0.619 5.719 1.00 . A A . 12 ILE CD1 1 1 13 3292 1 1 12 ILE CG1 C 6.266 -1.540 4.571 1.00 . A A . 12 ILE CG1 1 1 13 3293 1 1 12 ILE CG2 C 8.121 -3.244 4.727 1.00 . A A . 12 ILE CG2 1 1 13 3294 1 1 12 ILE H H 6.615 -0.436 1.974 1.00 . A A . 12 ILE H 1 1 13 3295 1 1 12 ILE HA H 8.957 -0.744 3.765 1.00 . A A . 12 ILE HA 1 1 13 3296 1 1 12 ILE HB H 6.877 -2.866 3.008 1.00 . A A . 12 ILE HB 1 1 13 3297 1 1 12 ILE HD11 H 5.885 0.024 6.070 1.00 . A A . 12 ILE HD11 1 1 13 3298 1 1 12 ILE HD12 H 7.064 -1.209 6.585 1.00 . A A . 12 ILE HD12 1 1 13 3299 1 1 12 ILE HD13 H 7.536 0.053 5.418 1.00 . A A . 12 ILE HD13 1 1 13 3300 1 1 12 ILE HG12 H 5.649 -0.945 3.876 1.00 . A A . 12 ILE HG12 1 1 13 3301 1 1 12 ILE HG13 H 5.572 -2.312 4.952 1.00 . A A . 12 ILE HG13 1 1 13 3302 1 1 12 ILE HG21 H 9.007 -2.775 5.197 1.00 . A A . 12 ILE HG21 1 1 13 3303 1 1 12 ILE HG22 H 7.487 -3.620 5.551 1.00 . A A . 12 ILE HG22 1 1 13 3304 1 1 12 ILE HG23 H 8.492 -4.130 4.179 1.00 . A A . 12 ILE HG23 1 1 13 3305 1 1 12 ILE N N 7.609 -0.299 2.200 1.00 . A A . 12 ILE N 1 1 13 3306 1 1 12 ILE O O 10.512 -2.435 2.753 1.00 . A A . 12 ILE O 1 1 13 3307 1 1 13 LEU C C 11.572 -2.246 -0.074 1.00 . A A . 13 LEU C 1 1 13 3308 1 1 13 LEU CA C 10.194 -2.992 -0.034 1.00 . A A . 13 LEU CA 1 1 13 3309 1 1 13 LEU CB C 9.510 -3.013 -1.444 1.00 . A A . 13 LEU CB 1 1 13 3310 1 1 13 LEU CD1 C 7.829 -4.083 -3.041 1.00 . A A . 13 LEU CD1 1 1 13 3311 1 1 13 LEU CD2 C 9.879 -5.360 -2.286 1.00 . A A . 13 LEU CD2 1 1 13 3312 1 1 13 LEU CG C 8.816 -4.329 -1.877 1.00 . A A . 13 LEU CG 1 1 13 3313 1 1 13 LEU H H 8.271 -2.130 0.603 1.00 . A A . 13 LEU H 1 1 13 3314 1 1 13 LEU HA H 10.413 -4.029 0.285 1.00 . A A . 13 LEU HA 1 1 13 3315 1 1 13 LEU HB2 H 8.798 -2.170 -1.527 1.00 . A A . 13 LEU HB2 1 1 13 3316 1 1 13 LEU HB3 H 10.247 -2.752 -2.228 1.00 . A A . 13 LEU HB3 1 1 13 3317 1 1 13 LEU HD11 H 6.785 -4.086 -2.677 1.00 . A A . 13 LEU HD11 1 1 13 3318 1 1 13 LEU HD12 H 7.985 -3.110 -3.542 1.00 . A A . 13 LEU HD12 1 1 13 3319 1 1 13 LEU HD13 H 7.881 -4.851 -3.835 1.00 . A A . 13 LEU HD13 1 1 13 3320 1 1 13 LEU HD21 H 9.429 -6.302 -2.649 1.00 . A A . 13 LEU HD21 1 1 13 3321 1 1 13 LEU HD22 H 10.534 -4.977 -3.092 1.00 . A A . 13 LEU HD22 1 1 13 3322 1 1 13 LEU HD23 H 10.537 -5.628 -1.438 1.00 . A A . 13 LEU HD23 1 1 13 3323 1 1 13 LEU HG H 8.239 -4.737 -1.020 1.00 . A A . 13 LEU HG 1 1 13 3324 1 1 13 LEU N N 9.196 -2.444 0.925 1.00 . A A . 13 LEU N 1 1 13 3325 1 1 13 LEU O O 12.623 -2.817 0.197 1.00 . A A . 13 LEU O 1 1 13 3326 1 1 14 NH2 HN1 H 12.538 -0.554 -0.182 1.00 . A A . 14 NH2 HN1 1 1 13 3327 1 1 14 NH2 HN2 H 10.714 -0.502 -0.418 1.00 . A A . 14 NH2 HN2 1 1 13 3328 1 1 14 NH2 N N 11.627 -0.966 -0.391 1.00 . A A . 14 NH2 N 1 1 14 3329 1 1 1 PHE C C -10.704 4.632 0.554 1.00 . A A . 1 PHE C 1 1 14 3330 1 1 1 PHE CA C -10.801 6.042 1.206 1.00 . A A . 1 PHE CA 1 1 14 3331 1 1 1 PHE CB C -9.994 6.140 2.535 1.00 . A A . 1 PHE CB 1 1 14 3332 1 1 1 PHE CD1 C -9.854 3.967 3.888 1.00 . A A . 1 PHE CD1 1 1 14 3333 1 1 1 PHE CD2 C -11.510 5.614 4.508 1.00 . A A . 1 PHE CD2 1 1 14 3334 1 1 1 PHE CE1 C -10.337 3.114 4.876 1.00 . A A . 1 PHE CE1 1 1 14 3335 1 1 1 PHE CE2 C -12.000 4.755 5.483 1.00 . A A . 1 PHE CE2 1 1 14 3336 1 1 1 PHE CG C -10.442 5.224 3.692 1.00 . A A . 1 PHE CG 1 1 14 3337 1 1 1 PHE CZ C -11.413 3.506 5.671 1.00 . A A . 1 PHE CZ 1 1 14 3338 1 1 1 PHE H1 H -12.358 7.360 1.798 1.00 . A A . 1 PHE H1 1 1 14 3339 1 1 1 PHE H2 H -12.787 6.342 0.547 1.00 . A A . 1 PHE H2 1 1 14 3340 1 1 1 PHE H3 H -12.653 5.755 2.066 1.00 . A A . 1 PHE H3 1 1 14 3341 1 1 1 PHE HA H -10.351 6.769 0.498 1.00 . A A . 1 PHE HA 1 1 14 3342 1 1 1 PHE HB2 H -8.928 5.929 2.313 1.00 . A A . 1 PHE HB2 1 1 14 3343 1 1 1 PHE HB3 H -9.968 7.190 2.885 1.00 . A A . 1 PHE HB3 1 1 14 3344 1 1 1 PHE HD1 H -9.037 3.631 3.261 1.00 . A A . 1 PHE HD1 1 1 14 3345 1 1 1 PHE HD2 H -11.981 6.578 4.380 1.00 . A A . 1 PHE HD2 1 1 14 3346 1 1 1 PHE HE1 H -9.887 2.142 5.026 1.00 . A A . 1 PHE HE1 1 1 14 3347 1 1 1 PHE HE2 H -12.840 5.052 6.096 1.00 . A A . 1 PHE HE2 1 1 14 3348 1 1 1 PHE HZ H -11.792 2.843 6.435 1.00 . A A . 1 PHE HZ 1 1 14 3349 1 1 1 PHE N N -12.228 6.423 1.405 1.00 . A A . 1 PHE N 1 1 14 3350 1 1 1 PHE O O -11.448 3.724 0.937 1.00 . A A . 1 PHE O 1 1 14 3351 1 1 2 VAL C C -8.572 2.244 -0.055 1.00 . A A . 2 VAL C 1 1 14 3352 1 1 2 VAL CA C -9.541 3.093 -0.978 1.00 . A A . 2 VAL CA 1 1 14 3353 1 1 2 VAL CB C -9.097 3.215 -2.470 1.00 . A A . 2 VAL CB 1 1 14 3354 1 1 2 VAL CG1 C -7.635 3.645 -2.635 1.00 . A A . 2 VAL CG1 1 1 14 3355 1 1 2 VAL CG2 C -9.300 1.907 -3.267 1.00 . A A . 2 VAL CG2 1 1 14 3356 1 1 2 VAL H H -9.135 5.203 -0.596 1.00 . A A . 2 VAL H 1 1 14 3357 1 1 2 VAL HA H -10.524 2.589 -1.028 1.00 . A A . 2 VAL HA 1 1 14 3358 1 1 2 VAL HB H -9.734 3.978 -2.961 1.00 . A A . 2 VAL HB 1 1 14 3359 1 1 2 VAL HG11 H -7.357 4.484 -1.971 1.00 . A A . 2 VAL HG11 1 1 14 3360 1 1 2 VAL HG12 H -6.955 2.813 -2.371 1.00 . A A . 2 VAL HG12 1 1 14 3361 1 1 2 VAL HG13 H -7.403 3.946 -3.671 1.00 . A A . 2 VAL HG13 1 1 14 3362 1 1 2 VAL HG21 H -10.358 1.581 -3.256 1.00 . A A . 2 VAL HG21 1 1 14 3363 1 1 2 VAL HG22 H -9.018 2.009 -4.330 1.00 . A A . 2 VAL HG22 1 1 14 3364 1 1 2 VAL HG23 H -8.699 1.070 -2.858 1.00 . A A . 2 VAL HG23 1 1 14 3365 1 1 2 VAL N N -9.797 4.444 -0.412 1.00 . A A . 2 VAL N 1 1 14 3366 1 1 2 VAL O O -7.566 2.783 0.429 1.00 . A A . 2 VAL O 1 1 14 3367 1 1 3 . C C -6.643 -0.346 -0.005 1.00 . A A . 3 PH6 C 1 1 14 3368 1 1 3 . C1 C -13.138 -1.841 2.360 1.00 . A A . 3 PH6 C1 1 1 14 3369 1 1 3 . C2 C -11.819 -1.184 1.934 1.00 . A A . 3 PH6 C2 1 1 14 3370 1 1 3 . C3 C -11.202 -1.857 0.659 1.00 . A A . 3 PH6 C3 1 1 14 3371 1 1 3 . C4 C -12.245 -1.892 -0.505 1.00 . A A . 3 PH6 C4 1 1 14 3372 1 1 3 . C5 C -13.579 -2.530 -0.060 1.00 . A A . 3 PH6 C5 1 1 14 3373 1 1 3 . C6 C -14.147 -1.814 1.191 1.00 . A A . 3 PH6 C6 1 1 14 3374 1 1 3 . CA C -7.859 0.032 0.881 1.00 . A A . 3 PH6 CA 1 1 14 3375 1 1 3 . CB C -8.745 -1.166 1.243 1.00 . A A . 3 PH6 CB 1 1 14 3376 1 1 3 . CD C -10.042 0.256 -0.236 1.00 . A A . 3 PH6 CD 1 1 14 3377 1 1 3 . CG C -9.877 -1.199 0.199 1.00 . A A . 3 PH6 CG 1 1 14 3378 1 1 3 . H1 H -12.941 -2.881 2.684 1.00 . A A . 3 PH6 H1 1 1 14 3379 1 1 3 . H21 H -12.015 -0.109 1.768 1.00 . A A . 3 PH6 H21 1 1 14 3380 1 1 3 . H22 H -13.542 -1.316 3.245 1.00 . A A . 3 PH6 H22 1 1 14 3381 1 1 3 . H31 H -10.962 -2.909 0.914 1.00 . A A . 3 PH6 H31 1 1 14 3382 1 1 3 . H32 H -11.121 -1.216 2.788 1.00 . A A . 3 PH6 H32 1 1 14 3383 1 1 3 . H41 H -11.838 -2.435 -1.381 1.00 . A A . 3 PH6 H41 1 1 14 3384 1 1 3 . H42 H -12.453 -0.869 -0.873 1.00 . A A . 3 PH6 H42 1 1 14 3385 1 1 3 . H51 H -14.312 -2.502 -0.888 1.00 . A A . 3 PH6 H51 1 1 14 3386 1 1 3 . H52 H -13.416 -3.603 0.160 1.00 . A A . 3 PH6 H52 1 1 14 3387 1 1 3 . H61 H -15.098 -2.280 1.505 1.00 . A A . 3 PH6 H61 1 1 14 3388 1 1 3 . H62 H -14.396 -0.764 0.939 1.00 . A A . 3 PH6 H62 1 1 14 3389 1 1 3 . HA H -7.504 0.492 1.827 1.00 . A A . 3 PH6 HA 1 1 14 3390 1 1 3 . HB2 H -9.112 -1.031 2.272 1.00 . A A . 3 PH6 HB2 1 1 14 3391 1 1 3 . HB3 H -8.187 -2.115 1.266 1.00 . A A . 3 PH6 HB3 1 1 14 3392 1 1 3 . HD2 H -10.902 0.758 0.242 1.00 . A A . 3 PH6 HD2 1 1 14 3393 1 1 3 . HD3 H -10.223 0.299 -1.323 1.00 . A A . 3 PH6 HD3 1 1 14 3394 1 1 3 . HG2 H -9.487 -1.758 -0.678 1.00 . A A . 3 PH6 HG2 1 1 14 3395 1 1 3 . N N -8.809 0.927 0.177 1.00 . A A . 3 PH6 N 1 1 14 3396 1 1 3 . O O -6.635 -1.321 -0.761 1.00 . A A . 3 PH6 O 1 1 14 3397 1 1 4 TRP C C -3.452 -0.809 0.074 1.00 . A A . 4 TRP C 1 1 14 3398 1 1 4 TRP CA C -4.352 0.241 -0.643 1.00 . A A . 4 TRP CA 1 1 14 3399 1 1 4 TRP CB C -3.645 1.599 -0.840 1.00 . A A . 4 TRP CB 1 1 14 3400 1 1 4 TRP CD1 C -4.379 1.951 -3.360 1.00 . A A . 4 TRP CD1 1 1 14 3401 1 1 4 TRP CD2 C -4.214 3.801 -2.131 1.00 . A A . 4 TRP CD2 1 1 14 3402 1 1 4 TRP CE2 C -4.541 4.139 -3.472 1.00 . A A . 4 TRP CE2 1 1 14 3403 1 1 4 TRP CE3 C -4.022 4.816 -1.160 1.00 . A A . 4 TRP CE3 1 1 14 3404 1 1 4 TRP CG C -4.110 2.427 -2.049 1.00 . A A . 4 TRP CG 1 1 14 3405 1 1 4 TRP CH2 C -4.539 6.477 -2.866 1.00 . A A . 4 TRP CH2 1 1 14 3406 1 1 4 TRP CZ2 C -4.714 5.490 -3.838 1.00 . A A . 4 TRP CZ2 1 1 14 3407 1 1 4 TRP CZ3 C -4.191 6.145 -1.549 1.00 . A A . 4 TRP CZ3 1 1 14 3408 1 1 4 TRP H H -5.822 1.351 0.591 1.00 . A A . 4 TRP H 1 1 14 3409 1 1 4 TRP HA H -4.614 -0.159 -1.645 1.00 . A A . 4 TRP HA 1 1 14 3410 1 1 4 TRP HB2 H -3.686 2.193 0.094 1.00 . A A . 4 TRP HB2 1 1 14 3411 1 1 4 TRP HB3 H -2.573 1.411 -0.973 1.00 . A A . 4 TRP HB3 1 1 14 3412 1 1 4 TRP HD1 H -4.339 0.909 -3.652 1.00 . A A . 4 TRP HD1 1 1 14 3413 1 1 4 TRP HE1 H -4.957 2.929 -5.234 1.00 . A A . 4 TRP HE1 1 1 14 3414 1 1 4 TRP HE3 H -3.757 4.571 -0.141 1.00 . A A . 4 TRP HE3 1 1 14 3415 1 1 4 TRP HH2 H -4.690 7.515 -3.129 1.00 . A A . 4 TRP HH2 1 1 14 3416 1 1 4 TRP HZ2 H -5.000 5.750 -4.847 1.00 . A A . 4 TRP HZ2 1 1 14 3417 1 1 4 TRP HZ3 H -4.061 6.930 -0.817 1.00 . A A . 4 TRP HZ3 1 1 14 3418 1 1 4 TRP N N -5.606 0.481 0.089 1.00 . A A . 4 TRP N 1 1 14 3419 1 1 4 TRP NE1 N -4.641 3.002 -4.258 1.00 . A A . 4 TRP NE1 1 1 14 3420 1 1 4 TRP O O -3.102 -0.673 1.247 1.00 . A A . 4 TRP O 1 1 14 3421 1 1 5 PHE C C -0.868 -3.027 -0.748 1.00 . A A . 5 PHE C 1 1 14 3422 1 1 5 PHE CA C -2.306 -3.007 -0.152 1.00 . A A . 5 PHE CA 1 1 14 3423 1 1 5 PHE CB C -3.051 -4.350 -0.425 1.00 . A A . 5 PHE CB 1 1 14 3424 1 1 5 PHE CD1 C -5.476 -4.512 -1.151 1.00 . A A . 5 PHE CD1 1 1 14 3425 1 1 5 PHE CD2 C -5.002 -4.309 1.210 1.00 . A A . 5 PHE CD2 1 1 14 3426 1 1 5 PHE CE1 C -6.836 -4.547 -0.877 1.00 . A A . 5 PHE CE1 1 1 14 3427 1 1 5 PHE CE2 C -6.362 -4.340 1.482 1.00 . A A . 5 PHE CE2 1 1 14 3428 1 1 5 PHE CG C -4.547 -4.408 -0.110 1.00 . A A . 5 PHE CG 1 1 14 3429 1 1 5 PHE CZ C -7.282 -4.474 0.442 1.00 . A A . 5 PHE CZ 1 1 14 3430 1 1 5 PHE H H -3.611 -1.908 -1.551 1.00 . A A . 5 PHE H 1 1 14 3431 1 1 5 PHE HA H -2.192 -2.923 0.950 1.00 . A A . 5 PHE HA 1 1 14 3432 1 1 5 PHE HB2 H -2.897 -4.662 -1.476 1.00 . A A . 5 PHE HB2 1 1 14 3433 1 1 5 PHE HB3 H -2.545 -5.148 0.151 1.00 . A A . 5 PHE HB3 1 1 14 3434 1 1 5 PHE HD1 H -5.146 -4.554 -2.181 1.00 . A A . 5 PHE HD1 1 1 14 3435 1 1 5 PHE HD2 H -4.295 -4.187 2.020 1.00 . A A . 5 PHE HD2 1 1 14 3436 1 1 5 PHE HE1 H -7.550 -4.608 -1.686 1.00 . A A . 5 PHE HE1 1 1 14 3437 1 1 5 PHE HE2 H -6.708 -4.245 2.503 1.00 . A A . 5 PHE HE2 1 1 14 3438 1 1 5 PHE HZ H -8.339 -4.486 0.652 1.00 . A A . 5 PHE HZ 1 1 14 3439 1 1 5 PHE N N -3.066 -1.836 -0.687 1.00 . A A . 5 PHE N 1 1 14 3440 1 1 5 PHE O O 0.116 -2.855 -0.026 1.00 . A A . 5 PHE O 1 1 14 3441 1 1 6 SER C C 1.322 -1.695 -2.566 1.00 . A A . 6 SER C 1 1 14 3442 1 1 6 SER CA C 0.525 -3.011 -2.832 1.00 . A A . 6 SER CA 1 1 14 3443 1 1 6 SER CB C 0.240 -3.191 -4.350 1.00 . A A . 6 SER CB 1 1 14 3444 1 1 6 SER H H -1.658 -3.290 -2.555 1.00 . A A . 6 SER H 1 1 14 3445 1 1 6 SER HA H 1.185 -3.837 -2.494 1.00 . A A . 6 SER HA 1 1 14 3446 1 1 6 SER HB2 H -0.829 -3.365 -4.583 1.00 . A A . 6 SER HB2 1 1 14 3447 1 1 6 SER HB3 H 0.494 -2.275 -4.922 1.00 . A A . 6 SER HB3 1 1 14 3448 1 1 6 SER HG H 0.445 -4.865 -5.341 1.00 . A A . 6 SER HG 1 1 14 3449 1 1 6 SER N N -0.757 -3.157 -2.087 1.00 . A A . 6 SER N 1 1 14 3450 1 1 6 SER O O 2.531 -1.729 -2.377 1.00 . A A . 6 SER O 1 1 14 3451 1 1 6 SER OG O 1.025 -4.265 -4.860 1.00 . A A . 6 SER OG 1 1 14 3452 1 1 7 LYS C C 1.949 0.747 -0.642 1.00 . A A . 7 LYS C 1 1 14 3453 1 1 7 LYS CA C 1.232 0.745 -2.032 1.00 . A A . 7 LYS CA 1 1 14 3454 1 1 7 LYS CB C 0.133 1.833 -2.000 1.00 . A A . 7 LYS CB 1 1 14 3455 1 1 7 LYS CD C -1.124 3.404 -3.590 1.00 . A A . 7 LYS CD 1 1 14 3456 1 1 7 LYS CE C 0.036 4.184 -4.234 1.00 . A A . 7 LYS CE 1 1 14 3457 1 1 7 LYS CG C -0.760 1.954 -3.256 1.00 . A A . 7 LYS CG 1 1 14 3458 1 1 7 LYS H H -0.374 -0.700 -2.568 1.00 . A A . 7 LYS H 1 1 14 3459 1 1 7 LYS HA H 1.992 1.044 -2.781 1.00 . A A . 7 LYS HA 1 1 14 3460 1 1 7 LYS HB2 H -0.505 1.673 -1.109 1.00 . A A . 7 LYS HB2 1 1 14 3461 1 1 7 LYS HB3 H 0.628 2.798 -1.776 1.00 . A A . 7 LYS HB3 1 1 14 3462 1 1 7 LYS HD2 H -2.015 3.355 -4.243 1.00 . A A . 7 LYS HD2 1 1 14 3463 1 1 7 LYS HD3 H -1.487 3.923 -2.677 1.00 . A A . 7 LYS HD3 1 1 14 3464 1 1 7 LYS HE2 H 0.481 4.878 -3.484 1.00 . A A . 7 LYS HE2 1 1 14 3465 1 1 7 LYS HE3 H 0.876 3.500 -4.504 1.00 . A A . 7 LYS HE3 1 1 14 3466 1 1 7 LYS HG2 H -0.300 1.464 -4.138 1.00 . A A . 7 LYS HG2 1 1 14 3467 1 1 7 LYS HG3 H -1.675 1.352 -3.092 1.00 . A A . 7 LYS HG3 1 1 14 3468 1 1 7 LYS HZ1 H 0.236 5.429 -5.952 1.00 . A A . 7 LYS HZ1 1 1 14 3469 1 1 7 LYS HZ2 H -0.890 4.246 -6.118 1.00 . A A . 7 LYS HZ2 1 1 14 3470 1 1 7 LYS HZ3 H -1.236 5.559 -5.212 1.00 . A A . 7 LYS HZ3 1 1 14 3471 1 1 7 LYS N N 0.635 -0.545 -2.493 1.00 . A A . 7 LYS N 1 1 14 3472 1 1 7 LYS NZ N -0.478 4.898 -5.434 1.00 . A A . 7 LYS NZ 1 1 14 3473 1 1 7 LYS O O 2.996 1.380 -0.491 1.00 . A A . 7 LYS O 1 1 14 3474 1 1 8 PHE C C 3.350 -1.125 1.436 1.00 . A A . 8 PHE C 1 1 14 3475 1 1 8 PHE CA C 2.063 -0.281 1.619 1.00 . A A . 8 PHE CA 1 1 14 3476 1 1 8 PHE CB C 1.059 -0.992 2.579 1.00 . A A . 8 PHE CB 1 1 14 3477 1 1 8 PHE CD1 C 1.469 0.259 4.729 1.00 . A A . 8 PHE CD1 1 1 14 3478 1 1 8 PHE CD2 C -0.712 0.423 3.697 1.00 . A A . 8 PHE CD2 1 1 14 3479 1 1 8 PHE CE1 C 1.054 1.110 5.744 1.00 . A A . 8 PHE CE1 1 1 14 3480 1 1 8 PHE CE2 C -1.129 1.267 4.718 1.00 . A A . 8 PHE CE2 1 1 14 3481 1 1 8 PHE CG C 0.586 -0.088 3.700 1.00 . A A . 8 PHE CG 1 1 14 3482 1 1 8 PHE CZ C -0.247 1.612 5.743 1.00 . A A . 8 PHE CZ 1 1 14 3483 1 1 8 PHE H H 0.612 -0.555 0.017 1.00 . A A . 8 PHE H 1 1 14 3484 1 1 8 PHE HA H 2.409 0.673 2.068 1.00 . A A . 8 PHE HA 1 1 14 3485 1 1 8 PHE HB2 H 0.200 -1.436 2.038 1.00 . A A . 8 PHE HB2 1 1 14 3486 1 1 8 PHE HB3 H 1.517 -1.885 3.051 1.00 . A A . 8 PHE HB3 1 1 14 3487 1 1 8 PHE HD1 H 2.482 -0.125 4.729 1.00 . A A . 8 PHE HD1 1 1 14 3488 1 1 8 PHE HD2 H -1.396 0.155 2.904 1.00 . A A . 8 PHE HD2 1 1 14 3489 1 1 8 PHE HE1 H 1.741 1.370 6.537 1.00 . A A . 8 PHE HE1 1 1 14 3490 1 1 8 PHE HE2 H -2.142 1.640 4.719 1.00 . A A . 8 PHE HE2 1 1 14 3491 1 1 8 PHE HZ H -0.575 2.255 6.544 1.00 . A A . 8 PHE HZ 1 1 14 3492 1 1 8 PHE N N 1.364 0.057 0.354 1.00 . A A . 8 PHE N 1 1 14 3493 1 1 8 PHE O O 4.435 -0.642 1.769 1.00 . A A . 8 PHE O 1 1 14 3494 1 1 9 LEU C C 5.492 -2.436 -0.364 1.00 . A A . 9 LEU C 1 1 14 3495 1 1 9 LEU CA C 4.407 -3.159 0.486 1.00 . A A . 9 LEU CA 1 1 14 3496 1 1 9 LEU CB C 3.946 -4.506 -0.157 1.00 . A A . 9 LEU CB 1 1 14 3497 1 1 9 LEU CD1 C 5.685 -6.039 0.965 1.00 . A A . 9 LEU CD1 1 1 14 3498 1 1 9 LEU CD2 C 3.393 -5.781 1.993 1.00 . A A . 9 LEU CD2 1 1 14 3499 1 1 9 LEU CG C 4.193 -5.786 0.680 1.00 . A A . 9 LEU CG 1 1 14 3500 1 1 9 LEU H H 2.280 -2.559 0.538 1.00 . A A . 9 LEU H 1 1 14 3501 1 1 9 LEU HA H 4.912 -3.384 1.447 1.00 . A A . 9 LEU HA 1 1 14 3502 1 1 9 LEU HB2 H 2.875 -4.470 -0.438 1.00 . A A . 9 LEU HB2 1 1 14 3503 1 1 9 LEU HB3 H 4.440 -4.650 -1.138 1.00 . A A . 9 LEU HB3 1 1 14 3504 1 1 9 LEU HD11 H 6.199 -5.158 1.393 1.00 . A A . 9 LEU HD11 1 1 14 3505 1 1 9 LEU HD12 H 5.852 -6.869 1.674 1.00 . A A . 9 LEU HD12 1 1 14 3506 1 1 9 LEU HD13 H 6.231 -6.305 0.044 1.00 . A A . 9 LEU HD13 1 1 14 3507 1 1 9 LEU HD21 H 2.455 -5.201 1.917 1.00 . A A . 9 LEU HD21 1 1 14 3508 1 1 9 LEU HD22 H 3.110 -6.809 2.286 1.00 . A A . 9 LEU HD22 1 1 14 3509 1 1 9 LEU HD23 H 3.967 -5.350 2.836 1.00 . A A . 9 LEU HD23 1 1 14 3510 1 1 9 LEU HG H 3.830 -6.639 0.071 1.00 . A A . 9 LEU HG 1 1 14 3511 1 1 9 LEU N N 3.231 -2.331 0.853 1.00 . A A . 9 LEU N 1 1 14 3512 1 1 9 LEU O O 6.652 -2.482 0.015 1.00 . A A . 9 LEU O 1 1 14 3513 1 1 10 GLY C C 6.968 0.155 -1.426 1.00 . A A . 10 GLY C 1 1 14 3514 1 1 10 GLY CA C 6.067 -0.842 -2.198 1.00 . A A . 10 GLY CA 1 1 14 3515 1 1 10 GLY H H 4.102 -1.676 -1.551 1.00 . A A . 10 GLY H 1 1 14 3516 1 1 10 GLY HA2 H 6.718 -1.494 -2.809 1.00 . A A . 10 GLY HA2 1 1 14 3517 1 1 10 GLY HA3 H 5.483 -0.258 -2.930 1.00 . A A . 10 GLY HA3 1 1 14 3518 1 1 10 GLY N N 5.127 -1.704 -1.427 1.00 . A A . 10 GLY N 1 1 14 3519 1 1 10 GLY O O 8.164 0.233 -1.694 1.00 . A A . 10 GLY O 1 1 14 3520 1 1 11 ARG C C 8.115 0.868 1.503 1.00 . A A . 11 ARG C 1 1 14 3521 1 1 11 ARG CA C 7.204 1.673 0.528 1.00 . A A . 11 ARG CA 1 1 14 3522 1 1 11 ARG CB C 6.211 2.556 1.332 1.00 . A A . 11 ARG CB 1 1 14 3523 1 1 11 ARG CD C 6.853 5.026 1.058 1.00 . A A . 11 ARG CD 1 1 14 3524 1 1 11 ARG CG C 5.887 3.891 0.634 1.00 . A A . 11 ARG CG 1 1 14 3525 1 1 11 ARG CZ C 5.442 6.354 2.660 1.00 . A A . 11 ARG CZ 1 1 14 3526 1 1 11 ARG H H 5.442 0.586 -0.259 1.00 . A A . 11 ARG H 1 1 14 3527 1 1 11 ARG HA H 7.906 2.323 -0.035 1.00 . A A . 11 ARG HA 1 1 14 3528 1 1 11 ARG HB2 H 5.284 1.988 1.555 1.00 . A A . 11 ARG HB2 1 1 14 3529 1 1 11 ARG HB3 H 6.613 2.761 2.346 1.00 . A A . 11 ARG HB3 1 1 14 3530 1 1 11 ARG HD2 H 7.898 4.641 1.080 1.00 . A A . 11 ARG HD2 1 1 14 3531 1 1 11 ARG HD3 H 6.896 5.822 0.287 1.00 . A A . 11 ARG HD3 1 1 14 3532 1 1 11 ARG HE H 7.062 5.355 3.227 1.00 . A A . 11 ARG HE 1 1 14 3533 1 1 11 ARG HG2 H 5.923 3.752 -0.466 1.00 . A A . 11 ARG HG2 1 1 14 3534 1 1 11 ARG HG3 H 4.831 4.143 0.839 1.00 . A A . 11 ARG HG3 1 1 14 3535 1 1 11 ARG HH11 H 3.799 7.308 1.995 1.00 . A A . 11 ARG HH11 1 1 14 3536 1 1 11 ARG HH12 H 4.851 6.355 0.824 1.00 . A A . 11 ARG HH12 1 1 14 3537 1 1 11 ARG HH21 H 4.418 7.326 4.048 1.00 . A A . 11 ARG HH21 1 1 14 3538 1 1 11 ARG HH22 H 5.913 6.429 4.578 1.00 . A A . 11 ARG HH22 1 1 14 3539 1 1 11 ARG N N 6.401 0.893 -0.462 1.00 . A A . 11 ARG N 1 1 14 3540 1 1 11 ARG NE N 6.496 5.586 2.401 1.00 . A A . 11 ARG NE 1 1 14 3541 1 1 11 ARG NH1 N 4.600 6.731 1.741 1.00 . A A . 11 ARG NH1 1 1 14 3542 1 1 11 ARG NH2 N 5.234 6.736 3.878 1.00 . A A . 11 ARG NH2 1 1 14 3543 1 1 11 ARG O O 9.295 1.192 1.644 1.00 . A A . 11 ARG O 1 1 14 3544 1 1 12 ILE C C 9.450 -1.889 2.302 1.00 . A A . 12 ILE C 1 1 14 3545 1 1 12 ILE CA C 8.345 -1.062 3.072 1.00 . A A . 12 ILE CA 1 1 14 3546 1 1 12 ILE CB C 7.383 -1.990 3.907 1.00 . A A . 12 ILE CB 1 1 14 3547 1 1 12 ILE CD1 C 5.166 -2.188 5.306 1.00 . A A . 12 ILE CD1 1 1 14 3548 1 1 12 ILE CG1 C 6.190 -1.267 4.612 1.00 . A A . 12 ILE CG1 1 1 14 3549 1 1 12 ILE CG2 C 8.173 -2.839 4.951 1.00 . A A . 12 ILE CG2 1 1 14 3550 1 1 12 ILE H H 6.583 -0.328 1.943 1.00 . A A . 12 ILE H 1 1 14 3551 1 1 12 ILE HA H 8.899 -0.437 3.800 1.00 . A A . 12 ILE HA 1 1 14 3552 1 1 12 ILE HB H 6.930 -2.692 3.175 1.00 . A A . 12 ILE HB 1 1 14 3553 1 1 12 ILE HD11 H 5.199 -2.060 6.403 1.00 . A A . 12 ILE HD11 1 1 14 3554 1 1 12 ILE HD12 H 4.130 -1.984 4.978 1.00 . A A . 12 ILE HD12 1 1 14 3555 1 1 12 ILE HD13 H 5.356 -3.260 5.106 1.00 . A A . 12 ILE HD13 1 1 14 3556 1 1 12 ILE HG12 H 6.576 -0.512 5.324 1.00 . A A . 12 ILE HG12 1 1 14 3557 1 1 12 ILE HG13 H 5.631 -0.669 3.873 1.00 . A A . 12 ILE HG13 1 1 14 3558 1 1 12 ILE HG21 H 7.789 -2.752 5.984 1.00 . A A . 12 ILE HG21 1 1 14 3559 1 1 12 ILE HG22 H 8.143 -3.913 4.690 1.00 . A A . 12 ILE HG22 1 1 14 3560 1 1 12 ILE HG23 H 9.245 -2.572 5.018 1.00 . A A . 12 ILE HG23 1 1 14 3561 1 1 12 ILE N N 7.555 -0.128 2.205 1.00 . A A . 12 ILE N 1 1 14 3562 1 1 12 ILE O O 10.519 -2.148 2.857 1.00 . A A . 12 ILE O 1 1 14 3563 1 1 13 LEU C C 11.370 -1.956 -0.301 1.00 . A A . 13 LEU C 1 1 14 3564 1 1 13 LEU CA C 10.203 -2.911 0.135 1.00 . A A . 13 LEU CA 1 1 14 3565 1 1 13 LEU CB C 9.402 -3.481 -1.081 1.00 . A A . 13 LEU CB 1 1 14 3566 1 1 13 LEU CD1 C 7.631 -5.062 -1.992 1.00 . A A . 13 LEU CD1 1 1 14 3567 1 1 13 LEU CD2 C 9.557 -6.007 -0.639 1.00 . A A . 13 LEU CD2 1 1 14 3568 1 1 13 LEU CG C 8.621 -4.798 -0.839 1.00 . A A . 13 LEU CG 1 1 14 3569 1 1 13 LEU H H 8.281 -1.994 0.686 1.00 . A A . 13 LEU H 1 1 14 3570 1 1 13 LEU HA H 10.668 -3.758 0.676 1.00 . A A . 13 LEU HA 1 1 14 3571 1 1 13 LEU HB2 H 8.718 -2.696 -1.464 1.00 . A A . 13 LEU HB2 1 1 14 3572 1 1 13 LEU HB3 H 10.087 -3.651 -1.933 1.00 . A A . 13 LEU HB3 1 1 14 3573 1 1 13 LEU HD11 H 7.249 -6.100 -1.995 1.00 . A A . 13 LEU HD11 1 1 14 3574 1 1 13 LEU HD12 H 6.747 -4.405 -1.922 1.00 . A A . 13 LEU HD12 1 1 14 3575 1 1 13 LEU HD13 H 8.085 -4.885 -2.984 1.00 . A A . 13 LEU HD13 1 1 14 3576 1 1 13 LEU HD21 H 10.610 -5.715 -0.475 1.00 . A A . 13 LEU HD21 1 1 14 3577 1 1 13 LEU HD22 H 9.258 -6.596 0.247 1.00 . A A . 13 LEU HD22 1 1 14 3578 1 1 13 LEU HD23 H 9.566 -6.701 -1.500 1.00 . A A . 13 LEU HD23 1 1 14 3579 1 1 13 LEU HG H 8.032 -4.671 0.092 1.00 . A A . 13 LEU HG 1 1 14 3580 1 1 13 LEU N N 9.210 -2.268 1.036 1.00 . A A . 13 LEU N 1 1 14 3581 1 1 13 LEU O O 11.492 -1.490 -1.431 1.00 . A A . 13 LEU O 1 1 14 3582 1 1 14 NH2 HN1 H 12.891 -0.877 0.262 1.00 . A A . 14 NH2 HN1 1 1 14 3583 1 1 14 NH2 HN2 H 11.964 -1.799 1.551 1.00 . A A . 14 NH2 HN2 1 1 14 3584 1 1 14 NH2 N N 12.284 -1.630 0.587 1.00 . A A . 14 NH2 N 1 1 15 3585 1 1 1 PHE C C -10.051 5.004 0.061 1.00 . A A . 1 PHE C 1 1 15 3586 1 1 1 PHE CA C -10.026 6.321 0.892 1.00 . A A . 1 PHE CA 1 1 15 3587 1 1 1 PHE CB C -9.272 6.134 2.244 1.00 . A A . 1 PHE CB 1 1 15 3588 1 1 1 PHE CD1 C -10.877 5.715 4.164 1.00 . A A . 1 PHE CD1 1 1 15 3589 1 1 1 PHE CD2 C -9.652 3.821 3.295 1.00 . A A . 1 PHE CD2 1 1 15 3590 1 1 1 PHE CE1 C -11.562 4.876 5.031 1.00 . A A . 1 PHE CE1 1 1 15 3591 1 1 1 PHE CE2 C -10.333 2.984 4.173 1.00 . A A . 1 PHE CE2 1 1 15 3592 1 1 1 PHE CG C -9.925 5.198 3.279 1.00 . A A . 1 PHE CG 1 1 15 3593 1 1 1 PHE CZ C -11.290 3.508 5.040 1.00 . A A . 1 PHE CZ 1 1 15 3594 1 1 1 PHE H1 H -11.438 7.739 1.619 1.00 . A A . 1 PHE H1 1 1 15 3595 1 1 1 PHE H2 H -11.925 6.967 0.223 1.00 . A A . 1 PHE H2 1 1 15 3596 1 1 1 PHE H3 H -11.945 6.167 1.643 1.00 . A A . 1 PHE H3 1 1 15 3597 1 1 1 PHE HA H -9.460 7.067 0.296 1.00 . A A . 1 PHE HA 1 1 15 3598 1 1 1 PHE HB2 H -8.250 5.759 2.031 1.00 . A A . 1 PHE HB2 1 1 15 3599 1 1 1 PHE HB3 H -9.079 7.122 2.705 1.00 . A A . 1 PHE HB3 1 1 15 3600 1 1 1 PHE HD1 H -11.109 6.772 4.169 1.00 . A A . 1 PHE HD1 1 1 15 3601 1 1 1 PHE HD2 H -8.938 3.388 2.606 1.00 . A A . 1 PHE HD2 1 1 15 3602 1 1 1 PHE HE1 H -12.314 5.279 5.697 1.00 . A A . 1 PHE HE1 1 1 15 3603 1 1 1 PHE HE2 H -10.134 1.919 4.179 1.00 . A A . 1 PHE HE2 1 1 15 3604 1 1 1 PHE HZ H -11.825 2.859 5.716 1.00 . A A . 1 PHE HZ 1 1 15 3605 1 1 1 PHE N N -11.403 6.855 1.101 1.00 . A A . 1 PHE N 1 1 15 3606 1 1 1 PHE O O -11.005 4.227 0.159 1.00 . A A . 1 PHE O 1 1 15 3607 1 1 2 VAL C C -8.114 2.366 -0.561 1.00 . A A . 2 VAL C 1 1 15 3608 1 1 2 VAL CA C -8.860 3.451 -1.443 1.00 . A A . 2 VAL CA 1 1 15 3609 1 1 2 VAL CB C -8.252 3.701 -2.859 1.00 . A A . 2 VAL CB 1 1 15 3610 1 1 2 VAL CG1 C -6.737 3.945 -2.848 1.00 . A A . 2 VAL CG1 1 1 15 3611 1 1 2 VAL CG2 C -8.545 2.553 -3.850 1.00 . A A . 2 VAL CG2 1 1 15 3612 1 1 2 VAL H H -8.190 5.373 -0.661 1.00 . A A . 2 VAL H 1 1 15 3613 1 1 2 VAL HA H -9.886 3.096 -1.654 1.00 . A A . 2 VAL HA 1 1 15 3614 1 1 2 VAL HB H -8.737 4.602 -3.288 1.00 . A A . 2 VAL HB 1 1 15 3615 1 1 2 VAL HG11 H -6.418 4.631 -2.042 1.00 . A A . 2 VAL HG11 1 1 15 3616 1 1 2 VAL HG12 H -6.188 2.998 -2.682 1.00 . A A . 2 VAL HG12 1 1 15 3617 1 1 2 VAL HG13 H -6.376 4.367 -3.803 1.00 . A A . 2 VAL HG13 1 1 15 3618 1 1 2 VAL HG21 H -9.630 2.352 -3.939 1.00 . A A . 2 VAL HG21 1 1 15 3619 1 1 2 VAL HG22 H -8.189 2.776 -4.872 1.00 . A A . 2 VAL HG22 1 1 15 3620 1 1 2 VAL HG23 H -8.064 1.602 -3.545 1.00 . A A . 2 VAL HG23 1 1 15 3621 1 1 2 VAL N N -8.996 4.743 -0.720 1.00 . A A . 2 VAL N 1 1 15 3622 1 1 2 VAL O O -7.103 2.691 0.081 1.00 . A A . 2 VAL O 1 1 15 3623 1 1 3 . C C -6.569 -0.459 -0.774 1.00 . A A . 3 PH6 C 1 1 15 3624 1 1 3 . C1 C -11.308 -1.375 -0.648 1.00 . A A . 3 PH6 C1 1 1 15 3625 1 1 3 . C2 C -12.228 -1.109 -1.883 1.00 . A A . 3 PH6 C2 1 1 15 3626 1 1 3 . C3 C -13.671 -1.599 -1.635 1.00 . A A . 3 PH6 C3 1 1 15 3627 1 1 3 . C4 C -14.256 -0.973 -0.345 1.00 . A A . 3 PH6 C4 1 1 15 3628 1 1 3 . C5 C -13.376 -1.293 0.884 1.00 . A A . 3 PH6 C5 1 1 15 3629 1 1 3 . C6 C -11.946 -0.785 0.657 1.00 . A A . 3 PH6 C6 1 1 15 3630 1 1 3 . CA C -7.786 -0.039 0.087 1.00 . A A . 3 PH6 CA 1 1 15 3631 1 1 3 . CB C -8.844 -1.149 0.201 1.00 . A A . 3 PH6 CB 1 1 15 3632 1 1 3 . CD C -9.798 0.643 -1.149 1.00 . A A . 3 PH6 CD 1 1 15 3633 1 1 3 . CG C -9.870 -0.865 -0.912 1.00 . A A . 3 PH6 CG 1 1 15 3634 1 1 3 . H1 H -11.236 -2.474 -0.525 1.00 . A A . 3 PH6 H1 1 1 15 3635 1 1 3 . H21 H -11.815 -1.589 -2.792 1.00 . A A . 3 PH6 H21 1 1 15 3636 1 1 3 . H22 H -12.262 -0.028 -2.121 1.00 . A A . 3 PH6 H22 1 1 15 3637 1 1 3 . H31 H -14.311 -1.361 -2.506 1.00 . A A . 3 PH6 H31 1 1 15 3638 1 1 3 . H32 H -13.673 -2.703 -1.554 1.00 . A A . 3 PH6 H32 1 1 15 3639 1 1 3 . H41 H -15.286 -1.334 -0.174 1.00 . A A . 3 PH6 H41 1 1 15 3640 1 1 3 . H42 H -14.338 0.125 -0.467 1.00 . A A . 3 PH6 H42 1 1 15 3641 1 1 3 . H51 H -13.791 -0.832 1.800 1.00 . A A . 3 PH6 H51 1 1 15 3642 1 1 3 . H52 H -13.351 -2.383 1.075 1.00 . A A . 3 PH6 H52 1 1 15 3643 1 1 3 . H61 H -11.343 -1.025 1.548 1.00 . A A . 3 PH6 H61 1 1 15 3644 1 1 3 . H62 H -11.981 0.319 0.626 1.00 . A A . 3 PH6 H62 1 1 15 3645 1 1 3 . HA H -7.446 0.225 1.109 1.00 . A A . 3 PH6 HA 1 1 15 3646 1 1 3 . HB2 H -9.284 -1.113 1.210 1.00 . A A . 3 PH6 HB2 1 1 15 3647 1 1 3 . HB3 H -8.422 -2.170 0.106 1.00 . A A . 3 PH6 HB3 1 1 15 3648 1 1 3 . HD2 H -10.637 1.197 -0.692 1.00 . A A . 3 PH6 HD2 1 1 15 3649 1 1 3 . HD3 H -9.845 0.848 -2.232 1.00 . A A . 3 PH6 HD3 1 1 15 3650 1 1 3 . HG2 H -9.483 -1.355 -1.831 1.00 . A A . 3 PH6 HG2 1 1 15 3651 1 1 3 . N N -8.547 1.078 -0.529 1.00 . A A . 3 PH6 N 1 1 15 3652 1 1 3 . O O -6.599 -1.410 -1.561 1.00 . A A . 3 PH6 O 1 1 15 3653 1 1 4 TRP C C -3.578 -1.327 -0.642 1.00 . A A . 4 TRP C 1 1 15 3654 1 1 4 TRP CA C -4.210 -0.056 -1.288 1.00 . A A . 4 TRP CA 1 1 15 3655 1 1 4 TRP CB C -3.275 1.174 -1.271 1.00 . A A . 4 TRP CB 1 1 15 3656 1 1 4 TRP CD1 C -3.602 1.966 -3.744 1.00 . A A . 4 TRP CD1 1 1 15 3657 1 1 4 TRP CD2 C -3.383 3.605 -2.253 1.00 . A A . 4 TRP CD2 1 1 15 3658 1 1 4 TRP CE2 C -3.496 4.153 -3.555 1.00 . A A . 4 TRP CE2 1 1 15 3659 1 1 4 TRP CE3 C -3.270 4.457 -1.126 1.00 . A A . 4 TRP CE3 1 1 15 3660 1 1 4 TRP CG C -3.457 2.227 -2.365 1.00 . A A . 4 TRP CG 1 1 15 3661 1 1 4 TRP CH2 C -3.374 6.378 -2.614 1.00 . A A . 4 TRP CH2 1 1 15 3662 1 1 4 TRP CZ2 C -3.514 5.554 -3.734 1.00 . A A . 4 TRP CZ2 1 1 15 3663 1 1 4 TRP CZ3 C -3.245 5.837 -1.329 1.00 . A A . 4 TRP CZ3 1 1 15 3664 1 1 4 TRP H H -5.645 1.151 -0.090 1.00 . A A . 4 TRP H 1 1 15 3665 1 1 4 TRP HA H -4.440 -0.280 -2.351 1.00 . A A . 4 TRP HA 1 1 15 3666 1 1 4 TRP HB2 H -3.309 1.646 -0.272 1.00 . A A . 4 TRP HB2 1 1 15 3667 1 1 4 TRP HB3 H -2.236 0.822 -1.401 1.00 . A A . 4 TRP HB3 1 1 15 3668 1 1 4 TRP HD1 H -3.665 0.974 -4.172 1.00 . A A . 4 TRP HD1 1 1 15 3669 1 1 4 TRP HE1 H -3.811 3.252 -5.506 1.00 . A A . 4 TRP HE1 1 1 15 3670 1 1 4 TRP HE3 H -3.243 4.046 -0.134 1.00 . A A . 4 TRP HE3 1 1 15 3671 1 1 4 TRP HH2 H -3.378 7.451 -2.745 1.00 . A A . 4 TRP HH2 1 1 15 3672 1 1 4 TRP HZ2 H -3.650 5.975 -4.720 1.00 . A A . 4 TRP HZ2 1 1 15 3673 1 1 4 TRP HZ3 H -3.136 6.502 -0.485 1.00 . A A . 4 TRP HZ3 1 1 15 3674 1 1 4 TRP N N -5.470 0.278 -0.601 1.00 . A A . 4 TRP N 1 1 15 3675 1 1 4 TRP NE1 N -3.651 3.151 -4.496 1.00 . A A . 4 TRP NE1 1 1 15 3676 1 1 4 TRP O O -3.074 -1.312 0.486 1.00 . A A . 4 TRP O 1 1 15 3677 1 1 5 PHE C C -1.434 -3.658 -0.958 1.00 . A A . 5 PHE C 1 1 15 3678 1 1 5 PHE CA C -2.995 -3.717 -0.972 1.00 . A A . 5 PHE CA 1 1 15 3679 1 1 5 PHE CB C -3.520 -4.855 -1.892 1.00 . A A . 5 PHE CB 1 1 15 3680 1 1 5 PHE CD1 C -5.853 -4.802 -2.910 1.00 . A A . 5 PHE CD1 1 1 15 3681 1 1 5 PHE CD2 C -5.598 -5.662 -0.666 1.00 . A A . 5 PHE CD2 1 1 15 3682 1 1 5 PHE CE1 C -7.223 -5.028 -2.841 1.00 . A A . 5 PHE CE1 1 1 15 3683 1 1 5 PHE CE2 C -6.969 -5.883 -0.598 1.00 . A A . 5 PHE CE2 1 1 15 3684 1 1 5 PHE CG C -5.029 -5.122 -1.826 1.00 . A A . 5 PHE CG 1 1 15 3685 1 1 5 PHE CZ C -7.783 -5.571 -1.684 1.00 . A A . 5 PHE CZ 1 1 15 3686 1 1 5 PHE H H -4.258 -2.368 -2.193 1.00 . A A . 5 PHE H 1 1 15 3687 1 1 5 PHE HA H -3.311 -3.944 0.067 1.00 . A A . 5 PHE HA 1 1 15 3688 1 1 5 PHE HB2 H -3.206 -4.664 -2.937 1.00 . A A . 5 PHE HB2 1 1 15 3689 1 1 5 PHE HB3 H -2.997 -5.795 -1.631 1.00 . A A . 5 PHE HB3 1 1 15 3690 1 1 5 PHE HD1 H -5.433 -4.377 -3.812 1.00 . A A . 5 PHE HD1 1 1 15 3691 1 1 5 PHE HD2 H -4.976 -5.903 0.184 1.00 . A A . 5 PHE HD2 1 1 15 3692 1 1 5 PHE HE1 H -7.853 -4.793 -3.687 1.00 . A A . 5 PHE HE1 1 1 15 3693 1 1 5 PHE HE2 H -7.401 -6.306 0.299 1.00 . A A . 5 PHE HE2 1 1 15 3694 1 1 5 PHE HZ H -8.844 -5.761 -1.637 1.00 . A A . 5 PHE HZ 1 1 15 3695 1 1 5 PHE N N -3.620 -2.428 -1.391 1.00 . A A . 5 PHE N 1 1 15 3696 1 1 5 PHE O O -0.795 -3.975 0.048 1.00 . A A . 5 PHE O 1 1 15 3697 1 1 6 SER C C 0.955 -1.369 -1.481 1.00 . A A . 6 SER C 1 1 15 3698 1 1 6 SER CA C 0.601 -2.777 -2.091 1.00 . A A . 6 SER CA 1 1 15 3699 1 1 6 SER CB C 0.998 -2.903 -3.582 1.00 . A A . 6 SER CB 1 1 15 3700 1 1 6 SER H H -1.518 -2.752 -2.710 1.00 . A A . 6 SER H 1 1 15 3701 1 1 6 SER HA H 1.191 -3.529 -1.529 1.00 . A A . 6 SER HA 1 1 15 3702 1 1 6 SER HB2 H 0.423 -2.190 -4.208 1.00 . A A . 6 SER HB2 1 1 15 3703 1 1 6 SER HB3 H 2.060 -2.615 -3.712 1.00 . A A . 6 SER HB3 1 1 15 3704 1 1 6 SER HG H 0.414 -4.204 -4.927 1.00 . A A . 6 SER HG 1 1 15 3705 1 1 6 SER N N -0.842 -3.129 -2.040 1.00 . A A . 6 SER N 1 1 15 3706 1 1 6 SER O O 1.872 -0.691 -1.945 1.00 . A A . 6 SER O 1 1 15 3707 1 1 6 SER OG O 0.832 -4.241 -4.060 1.00 . A A . 6 SER OG 1 1 15 3708 1 1 7 LYS C C 1.735 0.165 1.394 1.00 . A A . 7 LYS C 1 1 15 3709 1 1 7 LYS CA C 0.623 0.334 0.314 1.00 . A A . 7 LYS CA 1 1 15 3710 1 1 7 LYS CB C -0.654 0.919 0.974 1.00 . A A . 7 LYS CB 1 1 15 3711 1 1 7 LYS CD C -1.655 3.085 1.899 1.00 . A A . 7 LYS CD 1 1 15 3712 1 1 7 LYS CE C -0.969 3.049 3.281 1.00 . A A . 7 LYS CE 1 1 15 3713 1 1 7 LYS CG C -0.780 2.447 0.807 1.00 . A A . 7 LYS CG 1 1 15 3714 1 1 7 LYS H H -0.483 -1.561 -0.128 1.00 . A A . 7 LYS H 1 1 15 3715 1 1 7 LYS HA H 1.009 1.061 -0.432 1.00 . A A . 7 LYS HA 1 1 15 3716 1 1 7 LYS HB2 H -1.565 0.443 0.596 1.00 . A A . 7 LYS HB2 1 1 15 3717 1 1 7 LYS HB3 H -0.705 0.620 2.038 1.00 . A A . 7 LYS HB3 1 1 15 3718 1 1 7 LYS HD2 H -1.882 4.117 1.567 1.00 . A A . 7 LYS HD2 1 1 15 3719 1 1 7 LYS HD3 H -2.643 2.575 1.938 1.00 . A A . 7 LYS HD3 1 1 15 3720 1 1 7 LYS HE2 H -1.251 2.112 3.820 1.00 . A A . 7 LYS HE2 1 1 15 3721 1 1 7 LYS HE3 H 0.139 2.966 3.170 1.00 . A A . 7 LYS HE3 1 1 15 3722 1 1 7 LYS HG2 H 0.216 2.934 0.778 1.00 . A A . 7 LYS HG2 1 1 15 3723 1 1 7 LYS HG3 H -1.191 2.658 -0.201 1.00 . A A . 7 LYS HG3 1 1 15 3724 1 1 7 LYS HZ1 H -0.917 4.332 4.973 1.00 . A A . 7 LYS HZ1 1 1 15 3725 1 1 7 LYS HZ2 H -1.098 5.129 3.536 1.00 . A A . 7 LYS HZ2 1 1 15 3726 1 1 7 LYS HZ3 H -2.365 4.334 4.196 1.00 . A A . 7 LYS HZ3 1 1 15 3727 1 1 7 LYS N N 0.277 -0.926 -0.406 1.00 . A A . 7 LYS N 1 1 15 3728 1 1 7 LYS NZ N -1.349 4.268 4.042 1.00 . A A . 7 LYS NZ 1 1 15 3729 1 1 7 LYS O O 2.718 0.909 1.416 1.00 . A A . 7 LYS O 1 1 15 3730 1 1 8 PHE C C 3.805 -1.904 2.602 1.00 . A A . 8 PHE C 1 1 15 3731 1 1 8 PHE CA C 2.565 -1.251 3.270 1.00 . A A . 8 PHE CA 1 1 15 3732 1 1 8 PHE CB C 1.880 -2.203 4.299 1.00 . A A . 8 PHE CB 1 1 15 3733 1 1 8 PHE CD1 C 0.693 -0.792 6.042 1.00 . A A . 8 PHE CD1 1 1 15 3734 1 1 8 PHE CD2 C 2.842 -1.751 6.592 1.00 . A A . 8 PHE CD2 1 1 15 3735 1 1 8 PHE CE1 C 0.638 -0.198 7.298 1.00 . A A . 8 PHE CE1 1 1 15 3736 1 1 8 PHE CE2 C 2.787 -1.157 7.846 1.00 . A A . 8 PHE CE2 1 1 15 3737 1 1 8 PHE CG C 1.791 -1.579 5.686 1.00 . A A . 8 PHE CG 1 1 15 3738 1 1 8 PHE CZ C 1.684 -0.382 8.204 1.00 . A A . 8 PHE CZ 1 1 15 3739 1 1 8 PHE H H 0.736 -1.401 2.069 1.00 . A A . 8 PHE H 1 1 15 3740 1 1 8 PHE HA H 2.964 -0.354 3.787 1.00 . A A . 8 PHE HA 1 1 15 3741 1 1 8 PHE HB2 H 0.878 -2.551 3.975 1.00 . A A . 8 PHE HB2 1 1 15 3742 1 1 8 PHE HB3 H 2.433 -3.162 4.379 1.00 . A A . 8 PHE HB3 1 1 15 3743 1 1 8 PHE HD1 H -0.120 -0.653 5.342 1.00 . A A . 8 PHE HD1 1 1 15 3744 1 1 8 PHE HD2 H 3.701 -2.352 6.323 1.00 . A A . 8 PHE HD2 1 1 15 3745 1 1 8 PHE HE1 H -0.223 0.387 7.585 1.00 . A A . 8 PHE HE1 1 1 15 3746 1 1 8 PHE HE2 H 3.596 -1.311 8.548 1.00 . A A . 8 PHE HE2 1 1 15 3747 1 1 8 PHE HZ H 1.635 0.054 9.189 1.00 . A A . 8 PHE HZ 1 1 15 3748 1 1 8 PHE N N 1.524 -0.790 2.316 1.00 . A A . 8 PHE N 1 1 15 3749 1 1 8 PHE O O 4.931 -1.490 2.873 1.00 . A A . 8 PHE O 1 1 15 3750 1 1 9 LEU C C 5.305 -2.378 -0.144 1.00 . A A . 9 LEU C 1 1 15 3751 1 1 9 LEU CA C 4.667 -3.405 0.834 1.00 . A A . 9 LEU CA 1 1 15 3752 1 1 9 LEU CB C 4.143 -4.674 0.106 1.00 . A A . 9 LEU CB 1 1 15 3753 1 1 9 LEU CD1 C 3.851 -6.270 2.077 1.00 . A A . 9 LEU CD1 1 1 15 3754 1 1 9 LEU CD2 C 4.367 -7.161 -0.223 1.00 . A A . 9 LEU CD2 1 1 15 3755 1 1 9 LEU CG C 4.592 -6.002 0.756 1.00 . A A . 9 LEU CG 1 1 15 3756 1 1 9 LEU H H 2.599 -2.986 1.446 1.00 . A A . 9 LEU H 1 1 15 3757 1 1 9 LEU HA H 5.499 -3.703 1.507 1.00 . A A . 9 LEU HA 1 1 15 3758 1 1 9 LEU HB2 H 3.042 -4.664 -0.024 1.00 . A A . 9 LEU HB2 1 1 15 3759 1 1 9 LEU HB3 H 4.518 -4.667 -0.937 1.00 . A A . 9 LEU HB3 1 1 15 3760 1 1 9 LEU HD11 H 4.044 -5.480 2.826 1.00 . A A . 9 LEU HD11 1 1 15 3761 1 1 9 LEU HD12 H 2.755 -6.322 1.934 1.00 . A A . 9 LEU HD12 1 1 15 3762 1 1 9 LEU HD13 H 4.167 -7.224 2.539 1.00 . A A . 9 LEU HD13 1 1 15 3763 1 1 9 LEU HD21 H 3.296 -7.406 -0.348 1.00 . A A . 9 LEU HD21 1 1 15 3764 1 1 9 LEU HD22 H 4.769 -6.936 -1.230 1.00 . A A . 9 LEU HD22 1 1 15 3765 1 1 9 LEU HD23 H 4.883 -8.078 0.115 1.00 . A A . 9 LEU HD23 1 1 15 3766 1 1 9 LEU HG H 5.683 -5.949 0.960 1.00 . A A . 9 LEU HG 1 1 15 3767 1 1 9 LEU N N 3.585 -2.857 1.686 1.00 . A A . 9 LEU N 1 1 15 3768 1 1 9 LEU O O 6.524 -2.327 -0.192 1.00 . A A . 9 LEU O 1 1 15 3769 1 1 10 GLY C C 6.101 0.526 -1.214 1.00 . A A . 10 GLY C 1 1 15 3770 1 1 10 GLY CA C 5.106 -0.509 -1.791 1.00 . A A . 10 GLY CA 1 1 15 3771 1 1 10 GLY H H 3.540 -1.610 -0.654 1.00 . A A . 10 GLY H 1 1 15 3772 1 1 10 GLY HA2 H 5.596 -1.006 -2.648 1.00 . A A . 10 GLY HA2 1 1 15 3773 1 1 10 GLY HA3 H 4.278 0.059 -2.249 1.00 . A A . 10 GLY HA3 1 1 15 3774 1 1 10 GLY N N 4.538 -1.552 -0.878 1.00 . A A . 10 GLY N 1 1 15 3775 1 1 10 GLY O O 7.119 0.825 -1.836 1.00 . A A . 10 GLY O 1 1 15 3776 1 1 11 ARG C C 8.087 1.059 1.248 1.00 . A A . 11 ARG C 1 1 15 3777 1 1 11 ARG CA C 6.815 1.827 0.776 1.00 . A A . 11 ARG CA 1 1 15 3778 1 1 11 ARG CB C 6.059 2.426 1.991 1.00 . A A . 11 ARG CB 1 1 15 3779 1 1 11 ARG CD C 6.061 4.956 2.249 1.00 . A A . 11 ARG CD 1 1 15 3780 1 1 11 ARG CG C 5.316 3.736 1.671 1.00 . A A . 11 ARG CG 1 1 15 3781 1 1 11 ARG CZ C 4.203 6.392 3.101 1.00 . A A . 11 ARG CZ 1 1 15 3782 1 1 11 ARG H H 5.002 0.600 0.412 1.00 . A A . 11 ARG H 1 1 15 3783 1 1 11 ARG HA H 7.200 2.651 0.139 1.00 . A A . 11 ARG HA 1 1 15 3784 1 1 11 ARG HB2 H 5.363 1.674 2.416 1.00 . A A . 11 ARG HB2 1 1 15 3785 1 1 11 ARG HB3 H 6.772 2.582 2.828 1.00 . A A . 11 ARG HB3 1 1 15 3786 1 1 11 ARG HD2 H 6.448 4.762 3.274 1.00 . A A . 11 ARG HD2 1 1 15 3787 1 1 11 ARG HD3 H 6.986 5.143 1.658 1.00 . A A . 11 ARG HD3 1 1 15 3788 1 1 11 ARG HE H 5.320 6.883 1.523 1.00 . A A . 11 ARG HE 1 1 15 3789 1 1 11 ARG HG2 H 5.178 3.861 0.576 1.00 . A A . 11 ARG HG2 1 1 15 3790 1 1 11 ARG HG3 H 4.285 3.646 2.059 1.00 . A A . 11 ARG HG3 1 1 15 3791 1 1 11 ARG HH11 H 3.200 5.851 4.766 1.00 . A A . 11 ARG HH11 1 1 15 3792 1 1 11 ARG HH12 H 4.519 4.762 4.104 1.00 . A A . 11 ARG HH12 1 1 15 3793 1 1 11 ARG HH21 H 2.815 7.685 3.674 1.00 . A A . 11 ARG HH21 1 1 15 3794 1 1 11 ARG HH22 H 3.824 8.102 2.213 1.00 . A A . 11 ARG HH22 1 1 15 3795 1 1 11 ARG N N 5.818 1.049 -0.017 1.00 . A A . 11 ARG N 1 1 15 3796 1 1 11 ARG NE N 5.174 6.150 2.228 1.00 . A A . 11 ARG NE 1 1 15 3797 1 1 11 ARG NH1 N 3.897 5.577 4.076 1.00 . A A . 11 ARG NH1 1 1 15 3798 1 1 11 ARG NH2 N 3.523 7.483 2.970 1.00 . A A . 11 ARG NH2 1 1 15 3799 1 1 11 ARG O O 9.200 1.494 0.953 1.00 . A A . 11 ARG O 1 1 15 3800 1 1 12 ILE C C 9.889 -1.540 1.255 1.00 . A A . 12 ILE C 1 1 15 3801 1 1 12 ILE CA C 9.049 -0.920 2.439 1.00 . A A . 12 ILE CA 1 1 15 3802 1 1 12 ILE CB C 8.532 -2.021 3.440 1.00 . A A . 12 ILE CB 1 1 15 3803 1 1 12 ILE CD1 C 6.979 -2.586 5.468 1.00 . A A . 12 ILE CD1 1 1 15 3804 1 1 12 ILE CG1 C 7.652 -1.492 4.617 1.00 . A A . 12 ILE CG1 1 1 15 3805 1 1 12 ILE CG2 C 9.712 -2.840 4.029 1.00 . A A . 12 ILE CG2 1 1 15 3806 1 1 12 ILE H H 6.941 -0.335 2.112 1.00 . A A . 12 ILE H 1 1 15 3807 1 1 12 ILE HA H 9.760 -0.281 3.001 1.00 . A A . 12 ILE HA 1 1 15 3808 1 1 12 ILE HB H 7.900 -2.713 2.844 1.00 . A A . 12 ILE HB 1 1 15 3809 1 1 12 ILE HD11 H 6.806 -3.516 4.892 1.00 . A A . 12 ILE HD11 1 1 15 3810 1 1 12 ILE HD12 H 7.610 -2.857 6.336 1.00 . A A . 12 ILE HD12 1 1 15 3811 1 1 12 ILE HD13 H 5.999 -2.262 5.859 1.00 . A A . 12 ILE HD13 1 1 15 3812 1 1 12 ILE HG12 H 8.234 -0.803 5.259 1.00 . A A . 12 ILE HG12 1 1 15 3813 1 1 12 ILE HG13 H 6.842 -0.859 4.216 1.00 . A A . 12 ILE HG13 1 1 15 3814 1 1 12 ILE HG21 H 9.381 -3.641 4.714 1.00 . A A . 12 ILE HG21 1 1 15 3815 1 1 12 ILE HG22 H 10.299 -3.350 3.241 1.00 . A A . 12 ILE HG22 1 1 15 3816 1 1 12 ILE HG23 H 10.422 -2.199 4.585 1.00 . A A . 12 ILE HG23 1 1 15 3817 1 1 12 ILE N N 7.916 -0.041 1.999 1.00 . A A . 12 ILE N 1 1 15 3818 1 1 12 ILE O O 11.105 -1.671 1.384 1.00 . A A . 12 ILE O 1 1 15 3819 1 1 13 LEU C C 11.129 -1.363 -1.591 1.00 . A A . 13 LEU C 1 1 15 3820 1 1 13 LEU CA C 9.914 -2.257 -1.161 1.00 . A A . 13 LEU CA 1 1 15 3821 1 1 13 LEU CB C 8.799 -2.282 -2.267 1.00 . A A . 13 LEU CB 1 1 15 3822 1 1 13 LEU CD1 C 6.876 -3.497 -3.402 1.00 . A A . 13 LEU CD1 1 1 15 3823 1 1 13 LEU CD2 C 9.215 -4.479 -3.477 1.00 . A A . 13 LEU CD2 1 1 15 3824 1 1 13 LEU CG C 8.206 -3.665 -2.639 1.00 . A A . 13 LEU CG 1 1 15 3825 1 1 13 LEU H H 8.238 -1.708 0.153 1.00 . A A . 13 LEU H 1 1 15 3826 1 1 13 LEU HA H 10.318 -3.279 -1.031 1.00 . A A . 13 LEU HA 1 1 15 3827 1 1 13 LEU HB2 H 7.987 -1.580 -2.009 1.00 . A A . 13 LEU HB2 1 1 15 3828 1 1 13 LEU HB3 H 9.179 -1.827 -3.202 1.00 . A A . 13 LEU HB3 1 1 15 3829 1 1 13 LEU HD11 H 6.913 -2.677 -4.143 1.00 . A A . 13 LEU HD11 1 1 15 3830 1 1 13 LEU HD12 H 6.573 -4.413 -3.941 1.00 . A A . 13 LEU HD12 1 1 15 3831 1 1 13 LEU HD13 H 6.048 -3.273 -2.708 1.00 . A A . 13 LEU HD13 1 1 15 3832 1 1 13 LEU HD21 H 8.774 -4.939 -4.380 1.00 . A A . 13 LEU HD21 1 1 15 3833 1 1 13 LEU HD22 H 10.072 -3.874 -3.834 1.00 . A A . 13 LEU HD22 1 1 15 3834 1 1 13 LEU HD23 H 9.649 -5.303 -2.882 1.00 . A A . 13 LEU HD23 1 1 15 3835 1 1 13 LEU HG H 7.980 -4.226 -1.707 1.00 . A A . 13 LEU HG 1 1 15 3836 1 1 13 LEU N N 9.250 -1.889 0.122 1.00 . A A . 13 LEU N 1 1 15 3837 1 1 13 LEU O O 12.252 -1.832 -1.742 1.00 . A A . 13 LEU O 1 1 15 3838 1 1 14 NH2 HN1 H 11.859 0.428 -1.839 1.00 . A A . 14 NH2 HN1 1 1 15 3839 1 1 14 NH2 HN2 H 10.066 0.294 -1.455 1.00 . A A . 14 NH2 HN2 1 1 15 3840 1 1 14 NH2 N N 10.967 -0.068 -1.781 1.00 . A A . 14 NH2 N 1 1 16 3841 1 1 1 PHE C C -10.964 4.903 -0.236 1.00 . A A . 1 PHE C 1 1 16 3842 1 1 1 PHE CA C -11.352 5.923 0.875 1.00 . A A . 1 PHE CA 1 1 16 3843 1 1 1 PHE CB C -11.464 5.250 2.276 1.00 . A A . 1 PHE CB 1 1 16 3844 1 1 1 PHE CD1 C -13.872 4.562 2.707 1.00 . A A . 1 PHE CD1 1 1 16 3845 1 1 1 PHE CD2 C -12.269 2.814 2.245 1.00 . A A . 1 PHE CD2 1 1 16 3846 1 1 1 PHE CE1 C -14.889 3.619 2.751 1.00 . A A . 1 PHE CE1 1 1 16 3847 1 1 1 PHE CE2 C -13.288 1.869 2.306 1.00 . A A . 1 PHE CE2 1 1 16 3848 1 1 1 PHE CG C -12.555 4.173 2.441 1.00 . A A . 1 PHE CG 1 1 16 3849 1 1 1 PHE CZ C -14.599 2.270 2.555 1.00 . A A . 1 PHE CZ 1 1 16 3850 1 1 1 PHE H1 H -12.897 7.348 1.198 1.00 . A A . 1 PHE H1 1 1 16 3851 1 1 1 PHE H2 H -12.565 7.074 -0.417 1.00 . A A . 1 PHE H2 1 1 16 3852 1 1 1 PHE H3 H -13.368 5.950 0.451 1.00 . A A . 1 PHE H3 1 1 16 3853 1 1 1 PHE HA H -10.535 6.672 0.933 1.00 . A A . 1 PHE HA 1 1 16 3854 1 1 1 PHE HB2 H -10.483 4.797 2.528 1.00 . A A . 1 PHE HB2 1 1 16 3855 1 1 1 PHE HB3 H -11.584 6.022 3.059 1.00 . A A . 1 PHE HB3 1 1 16 3856 1 1 1 PHE HD1 H -14.119 5.603 2.865 1.00 . A A . 1 PHE HD1 1 1 16 3857 1 1 1 PHE HD2 H -11.262 2.483 2.025 1.00 . A A . 1 PHE HD2 1 1 16 3858 1 1 1 PHE HE1 H -15.909 3.929 2.937 1.00 . A A . 1 PHE HE1 1 1 16 3859 1 1 1 PHE HE2 H -13.070 0.819 2.156 1.00 . A A . 1 PHE HE2 1 1 16 3860 1 1 1 PHE HZ H -15.392 1.538 2.601 1.00 . A A . 1 PHE HZ 1 1 16 3861 1 1 1 PHE N N -12.607 6.642 0.514 1.00 . A A . 1 PHE N 1 1 16 3862 1 1 1 PHE O O -11.845 4.310 -0.865 1.00 . A A . 1 PHE O 1 1 16 3863 1 1 2 VAL C C -8.692 2.371 -0.593 1.00 . A A . 2 VAL C 1 1 16 3864 1 1 2 VAL CA C -9.184 3.640 -1.392 1.00 . A A . 2 VAL CA 1 1 16 3865 1 1 2 VAL CB C -8.146 4.247 -2.389 1.00 . A A . 2 VAL CB 1 1 16 3866 1 1 2 VAL CG1 C -6.753 4.479 -1.780 1.00 . A A . 2 VAL CG1 1 1 16 3867 1 1 2 VAL CG2 C -7.985 3.395 -3.666 1.00 . A A . 2 VAL CG2 1 1 16 3868 1 1 2 VAL H H -9.001 5.099 0.211 1.00 . A A . 2 VAL H 1 1 16 3869 1 1 2 VAL HA H -10.036 3.342 -2.030 1.00 . A A . 2 VAL HA 1 1 16 3870 1 1 2 VAL HB H -8.536 5.230 -2.724 1.00 . A A . 2 VAL HB 1 1 16 3871 1 1 2 VAL HG11 H -6.196 3.526 -1.687 1.00 . A A . 2 VAL HG11 1 1 16 3872 1 1 2 VAL HG12 H -6.139 5.161 -2.393 1.00 . A A . 2 VAL HG12 1 1 16 3873 1 1 2 VAL HG13 H -6.800 4.903 -0.760 1.00 . A A . 2 VAL HG13 1 1 16 3874 1 1 2 VAL HG21 H -7.305 3.862 -4.402 1.00 . A A . 2 VAL HG21 1 1 16 3875 1 1 2 VAL HG22 H -7.582 2.386 -3.448 1.00 . A A . 2 VAL HG22 1 1 16 3876 1 1 2 VAL HG23 H -8.951 3.249 -4.187 1.00 . A A . 2 VAL HG23 1 1 16 3877 1 1 2 VAL N N -9.662 4.696 -0.460 1.00 . A A . 2 VAL N 1 1 16 3878 1 1 2 VAL O O -7.971 2.528 0.403 1.00 . A A . 2 VAL O 1 1 16 3879 1 1 3 . C C -6.894 -0.284 -0.899 1.00 . A A . 3 PH6 C 1 1 16 3880 1 1 3 . C1 C -12.960 -2.767 -4.678 1.00 . A A . 3 PH6 C1 1 1 16 3881 1 1 3 . C2 C -12.425 -3.422 -3.382 1.00 . A A . 3 PH6 C2 1 1 16 3882 1 1 3 . C3 C -11.064 -2.816 -2.987 1.00 . A A . 3 PH6 C3 1 1 16 3883 1 1 3 . C4 C -11.174 -1.276 -2.815 1.00 . A A . 3 PH6 C4 1 1 16 3884 1 1 3 . C5 C -11.706 -0.625 -4.133 1.00 . A A . 3 PH6 C5 1 1 16 3885 1 1 3 . C6 C -13.069 -1.230 -4.536 1.00 . A A . 3 PH6 C6 1 1 16 3886 1 1 3 . CA C -8.377 -0.108 -0.451 1.00 . A A . 3 PH6 CA 1 1 16 3887 1 1 3 . CB C -9.322 -1.186 -0.995 1.00 . A A . 3 PH6 CB 1 1 16 3888 1 1 3 . CD C -9.960 0.838 -2.086 1.00 . A A . 3 PH6 CD 1 1 16 3889 1 1 3 . CG C -9.839 -0.660 -2.345 1.00 . A A . 3 PH6 CG 1 1 16 3890 1 1 3 . H1 H -12.283 -3.011 -5.520 1.00 . A A . 3 PH6 H1 1 1 16 3891 1 1 3 . H21 H -13.148 -3.273 -2.556 1.00 . A A . 3 PH6 H21 1 1 16 3892 1 1 3 . H22 H -13.942 -3.198 -4.948 1.00 . A A . 3 PH6 H22 1 1 16 3893 1 1 3 . H31 H -10.296 -3.061 -3.747 1.00 . A A . 3 PH6 H31 1 1 16 3894 1 1 3 . H32 H -12.332 -4.517 -3.504 1.00 . A A . 3 PH6 H32 1 1 16 3895 1 1 3 . H41 H -11.924 -1.082 -2.020 1.00 . A A . 3 PH6 H41 1 1 16 3896 1 1 3 . H42 H -10.715 -3.290 -2.051 1.00 . A A . 3 PH6 H42 1 1 16 3897 1 1 3 . H51 H -11.822 0.470 -4.024 1.00 . A A . 3 PH6 H51 1 1 16 3898 1 1 3 . H52 H -10.973 -0.762 -4.952 1.00 . A A . 3 PH6 H52 1 1 16 3899 1 1 3 . H61 H -13.429 -0.774 -5.478 1.00 . A A . 3 PH6 H61 1 1 16 3900 1 1 3 . H62 H -13.828 -0.973 -3.771 1.00 . A A . 3 PH6 H62 1 1 16 3901 1 1 3 . HA H -8.432 -0.125 0.656 1.00 . A A . 3 PH6 HA 1 1 16 3902 1 1 3 . HB2 H -10.156 -1.361 -0.289 1.00 . A A . 3 PH6 HB2 1 1 16 3903 1 1 3 . HB3 H -8.814 -2.159 -1.111 1.00 . A A . 3 PH6 HB3 1 1 16 3904 1 1 3 . HD2 H -10.982 1.124 -1.761 1.00 . A A . 3 PH6 HD2 1 1 16 3905 1 1 3 . HD3 H -9.742 1.384 -3.021 1.00 . A A . 3 PH6 HD3 1 1 16 3906 1 1 3 . HG2 H -9.056 -0.826 -3.117 1.00 . A A . 3 PH6 HG2 1 1 16 3907 1 1 3 . N N -9.003 1.117 -1.009 1.00 . A A . 3 PH6 N 1 1 16 3908 1 1 3 . O O -6.559 -0.950 -1.883 1.00 . A A . 3 PH6 O 1 1 16 3909 1 1 4 TRP C C -3.986 -1.134 0.100 1.00 . A A . 4 TRP C 1 1 16 3910 1 1 4 TRP CA C -4.544 0.239 -0.389 1.00 . A A . 4 TRP CA 1 1 16 3911 1 1 4 TRP CB C -3.831 1.427 0.304 1.00 . A A . 4 TRP CB 1 1 16 3912 1 1 4 TRP CD1 C -3.298 2.802 -1.902 1.00 . A A . 4 TRP CD1 1 1 16 3913 1 1 4 TRP CD2 C -3.713 4.010 -0.079 1.00 . A A . 4 TRP CD2 1 1 16 3914 1 1 4 TRP CE2 C -3.461 4.870 -1.180 1.00 . A A . 4 TRP CE2 1 1 16 3915 1 1 4 TRP CE3 C -4.045 4.548 1.191 1.00 . A A . 4 TRP CE3 1 1 16 3916 1 1 4 TRP CG C -3.632 2.705 -0.526 1.00 . A A . 4 TRP CG 1 1 16 3917 1 1 4 TRP CH2 C -3.903 6.782 0.233 1.00 . A A . 4 TRP CH2 1 1 16 3918 1 1 4 TRP CZ2 C -3.580 6.270 -1.026 1.00 . A A . 4 TRP CZ2 1 1 16 3919 1 1 4 TRP CZ3 C -4.124 5.934 1.326 1.00 . A A . 4 TRP CZ3 1 1 16 3920 1 1 4 TRP H H -6.418 1.030 0.500 1.00 . A A . 4 TRP H 1 1 16 3921 1 1 4 TRP HA H -4.374 0.316 -1.484 1.00 . A A . 4 TRP HA 1 1 16 3922 1 1 4 TRP HB2 H -4.321 1.653 1.271 1.00 . A A . 4 TRP HB2 1 1 16 3923 1 1 4 TRP HB3 H -2.838 1.091 0.620 1.00 . A A . 4 TRP HB3 1 1 16 3924 1 1 4 TRP HD1 H -3.183 1.955 -2.566 1.00 . A A . 4 TRP HD1 1 1 16 3925 1 1 4 TRP HE1 H -3.136 4.487 -3.290 1.00 . A A . 4 TRP HE1 1 1 16 3926 1 1 4 TRP HE3 H -4.262 3.901 2.030 1.00 . A A . 4 TRP HE3 1 1 16 3927 1 1 4 TRP HH2 H -4.007 7.851 0.359 1.00 . A A . 4 TRP HH2 1 1 16 3928 1 1 4 TRP HZ2 H -3.455 6.926 -1.876 1.00 . A A . 4 TRP HZ2 1 1 16 3929 1 1 4 TRP HZ3 H -4.386 6.358 2.285 1.00 . A A . 4 TRP HZ3 1 1 16 3930 1 1 4 TRP N N -5.995 0.357 -0.150 1.00 . A A . 4 TRP N 1 1 16 3931 1 1 4 TRP NE1 N -3.189 4.140 -2.324 1.00 . A A . 4 TRP NE1 1 1 16 3932 1 1 4 TRP O O -3.996 -1.449 1.292 1.00 . A A . 4 TRP O 1 1 16 3933 1 1 5 PHE C C -1.343 -3.253 -0.693 1.00 . A A . 5 PHE C 1 1 16 3934 1 1 5 PHE CA C -2.897 -3.263 -0.589 1.00 . A A . 5 PHE CA 1 1 16 3935 1 1 5 PHE CB C -3.548 -4.294 -1.556 1.00 . A A . 5 PHE CB 1 1 16 3936 1 1 5 PHE CD1 C -5.887 -4.050 -2.526 1.00 . A A . 5 PHE CD1 1 1 16 3937 1 1 5 PHE CD2 C -5.663 -4.945 -0.294 1.00 . A A . 5 PHE CD2 1 1 16 3938 1 1 5 PHE CE1 C -7.268 -4.170 -2.435 1.00 . A A . 5 PHE CE1 1 1 16 3939 1 1 5 PHE CE2 C -7.044 -5.056 -0.200 1.00 . A A . 5 PHE CE2 1 1 16 3940 1 1 5 PHE CG C -5.072 -4.444 -1.459 1.00 . A A . 5 PHE CG 1 1 16 3941 1 1 5 PHE CZ C -7.849 -4.680 -1.274 1.00 . A A . 5 PHE CZ 1 1 16 3942 1 1 5 PHE H H -3.664 -1.577 -1.800 1.00 . A A . 5 PHE H 1 1 16 3943 1 1 5 PHE HA H -3.134 -3.589 0.445 1.00 . A A . 5 PHE HA 1 1 16 3944 1 1 5 PHE HB2 H -3.254 -4.066 -2.599 1.00 . A A . 5 PHE HB2 1 1 16 3945 1 1 5 PHE HB3 H -3.099 -5.288 -1.370 1.00 . A A . 5 PHE HB3 1 1 16 3946 1 1 5 PHE HD1 H -5.453 -3.629 -3.423 1.00 . A A . 5 PHE HD1 1 1 16 3947 1 1 5 PHE HD2 H -5.047 -5.233 0.548 1.00 . A A . 5 PHE HD2 1 1 16 3948 1 1 5 PHE HE1 H -7.892 -3.846 -3.256 1.00 . A A . 5 PHE HE1 1 1 16 3949 1 1 5 PHE HE2 H -7.495 -5.431 0.709 1.00 . A A . 5 PHE HE2 1 1 16 3950 1 1 5 PHE HZ H -8.921 -4.764 -1.199 1.00 . A A . 5 PHE HZ 1 1 16 3951 1 1 5 PHE N N -3.455 -1.903 -0.851 1.00 . A A . 5 PHE N 1 1 16 3952 1 1 5 PHE O O -0.639 -3.550 0.275 1.00 . A A . 5 PHE O 1 1 16 3953 1 1 6 SER C C 1.148 -1.141 -1.469 1.00 . A A . 6 SER C 1 1 16 3954 1 1 6 SER CA C 0.646 -2.529 -2.015 1.00 . A A . 6 SER CA 1 1 16 3955 1 1 6 SER CB C 0.903 -2.693 -3.532 1.00 . A A . 6 SER CB 1 1 16 3956 1 1 6 SER H H -1.490 -2.445 -2.508 1.00 . A A . 6 SER H 1 1 16 3957 1 1 6 SER HA H 1.236 -3.307 -1.491 1.00 . A A . 6 SER HA 1 1 16 3958 1 1 6 SER HB2 H 1.993 -2.676 -3.723 1.00 . A A . 6 SER HB2 1 1 16 3959 1 1 6 SER HB3 H 0.567 -3.689 -3.887 1.00 . A A . 6 SER HB3 1 1 16 3960 1 1 6 SER HG H 0.929 -1.257 -4.854 1.00 . A A . 6 SER HG 1 1 16 3961 1 1 6 SER N N -0.803 -2.817 -1.844 1.00 . A A . 6 SER N 1 1 16 3962 1 1 6 SER O O 2.118 -0.572 -1.974 1.00 . A A . 6 SER O 1 1 16 3963 1 1 6 SER OG O 0.259 -1.661 -4.292 1.00 . A A . 6 SER OG 1 1 16 3964 1 1 7 LYS C C 2.171 0.358 1.312 1.00 . A A . 7 LYS C 1 1 16 3965 1 1 7 LYS CA C 1.032 0.619 0.286 1.00 . A A . 7 LYS CA 1 1 16 3966 1 1 7 LYS CB C -0.189 1.330 0.920 1.00 . A A . 7 LYS CB 1 1 16 3967 1 1 7 LYS CD C 0.752 3.700 0.818 1.00 . A A . 7 LYS CD 1 1 16 3968 1 1 7 LYS CE C 0.488 5.135 1.303 1.00 . A A . 7 LYS CE 1 1 16 3969 1 1 7 LYS CG C 0.109 2.621 1.717 1.00 . A A . 7 LYS CG 1 1 16 3970 1 1 7 LYS H H -0.225 -1.198 -0.051 1.00 . A A . 7 LYS H 1 1 16 3971 1 1 7 LYS HA H 1.450 1.305 -0.477 1.00 . A A . 7 LYS HA 1 1 16 3972 1 1 7 LYS HB2 H -0.890 1.578 0.102 1.00 . A A . 7 LYS HB2 1 1 16 3973 1 1 7 LYS HB3 H -0.738 0.624 1.580 1.00 . A A . 7 LYS HB3 1 1 16 3974 1 1 7 LYS HD2 H 1.830 3.460 0.675 1.00 . A A . 7 LYS HD2 1 1 16 3975 1 1 7 LYS HD3 H 0.338 3.604 -0.208 1.00 . A A . 7 LYS HD3 1 1 16 3976 1 1 7 LYS HE2 H 0.178 5.761 0.434 1.00 . A A . 7 LYS HE2 1 1 16 3977 1 1 7 LYS HE3 H -0.402 5.174 1.976 1.00 . A A . 7 LYS HE3 1 1 16 3978 1 1 7 LYS HG2 H -0.843 2.966 2.168 1.00 . A A . 7 LYS HG2 1 1 16 3979 1 1 7 LYS HG3 H 0.761 2.390 2.587 1.00 . A A . 7 LYS HG3 1 1 16 3980 1 1 7 LYS HZ1 H 1.590 6.627 2.337 1.00 . A A . 7 LYS HZ1 1 1 16 3981 1 1 7 LYS HZ2 H 1.993 5.091 2.776 1.00 . A A . 7 LYS HZ2 1 1 16 3982 1 1 7 LYS HZ3 H 2.510 5.676 1.338 1.00 . A A . 7 LYS HZ3 1 1 16 3983 1 1 7 LYS N N 0.536 -0.601 -0.403 1.00 . A A . 7 LYS N 1 1 16 3984 1 1 7 LYS NZ N 1.705 5.669 1.972 1.00 . A A . 7 LYS NZ 1 1 16 3985 1 1 7 LYS O O 3.226 0.996 1.246 1.00 . A A . 7 LYS O 1 1 16 3986 1 1 8 PHE C C 4.114 -1.786 2.583 1.00 . A A . 8 PHE C 1 1 16 3987 1 1 8 PHE CA C 2.942 -1.011 3.243 1.00 . A A . 8 PHE CA 1 1 16 3988 1 1 8 PHE CB C 2.200 -1.835 4.338 1.00 . A A . 8 PHE CB 1 1 16 3989 1 1 8 PHE CD1 C 1.115 0.167 5.515 1.00 . A A . 8 PHE CD1 1 1 16 3990 1 1 8 PHE CD2 C 2.268 -1.488 6.844 1.00 . A A . 8 PHE CD2 1 1 16 3991 1 1 8 PHE CE1 C 0.850 0.907 6.661 1.00 . A A . 8 PHE CE1 1 1 16 3992 1 1 8 PHE CE2 C 1.988 -0.756 7.991 1.00 . A A . 8 PHE CE2 1 1 16 3993 1 1 8 PHE CG C 1.838 -1.031 5.593 1.00 . A A . 8 PHE CG 1 1 16 3994 1 1 8 PHE CZ C 1.284 0.442 7.902 1.00 . A A . 8 PHE CZ 1 1 16 3995 1 1 8 PHE H H 1.040 -1.049 2.138 1.00 . A A . 8 PHE H 1 1 16 3996 1 1 8 PHE HA H 3.419 -0.128 3.716 1.00 . A A . 8 PHE HA 1 1 16 3997 1 1 8 PHE HB2 H 1.292 -2.338 3.949 1.00 . A A . 8 PHE HB2 1 1 16 3998 1 1 8 PHE HB3 H 2.834 -2.697 4.630 1.00 . A A . 8 PHE HB3 1 1 16 3999 1 1 8 PHE HD1 H 0.777 0.539 4.558 1.00 . A A . 8 PHE HD1 1 1 16 4000 1 1 8 PHE HD2 H 2.823 -2.412 6.929 1.00 . A A . 8 PHE HD2 1 1 16 4001 1 1 8 PHE HE1 H 0.309 1.838 6.594 1.00 . A A . 8 PHE HE1 1 1 16 4002 1 1 8 PHE HE2 H 2.319 -1.124 8.954 1.00 . A A . 8 PHE HE2 1 1 16 4003 1 1 8 PHE HZ H 1.070 1.006 8.796 1.00 . A A . 8 PHE HZ 1 1 16 4004 1 1 8 PHE N N 1.914 -0.531 2.281 1.00 . A A . 8 PHE N 1 1 16 4005 1 1 8 PHE O O 5.275 -1.434 2.790 1.00 . A A . 8 PHE O 1 1 16 4006 1 1 9 LEU C C 5.491 -2.460 -0.184 1.00 . A A . 9 LEU C 1 1 16 4007 1 1 9 LEU CA C 4.806 -3.403 0.846 1.00 . A A . 9 LEU CA 1 1 16 4008 1 1 9 LEU CB C 4.154 -4.637 0.164 1.00 . A A . 9 LEU CB 1 1 16 4009 1 1 9 LEU CD1 C 3.810 -6.162 2.179 1.00 . A A . 9 LEU CD1 1 1 16 4010 1 1 9 LEU CD2 C 4.184 -7.153 -0.132 1.00 . A A . 9 LEU CD2 1 1 16 4011 1 1 9 LEU CG C 4.514 -5.988 0.821 1.00 . A A . 9 LEU CG 1 1 16 4012 1 1 9 LEU H H 2.796 -2.820 1.519 1.00 . A A . 9 LEU H 1 1 16 4013 1 1 9 LEU HA H 5.633 -3.752 1.501 1.00 . A A . 9 LEU HA 1 1 16 4014 1 1 9 LEU HB2 H 3.054 -4.540 0.073 1.00 . A A . 9 LEU HB2 1 1 16 4015 1 1 9 LEU HB3 H 4.493 -4.678 -0.890 1.00 . A A . 9 LEU HB3 1 1 16 4016 1 1 9 LEU HD11 H 2.713 -6.042 2.096 1.00 . A A . 9 LEU HD11 1 1 16 4017 1 1 9 LEU HD12 H 3.998 -7.160 2.616 1.00 . A A . 9 LEU HD12 1 1 16 4018 1 1 9 LEU HD13 H 4.162 -5.423 2.924 1.00 . A A . 9 LEU HD13 1 1 16 4019 1 1 9 LEU HD21 H 3.351 -7.788 0.221 1.00 . A A . 9 LEU HD21 1 1 16 4020 1 1 9 LEU HD22 H 3.912 -6.828 -1.155 1.00 . A A . 9 LEU HD22 1 1 16 4021 1 1 9 LEU HD23 H 5.061 -7.815 -0.253 1.00 . A A . 9 LEU HD23 1 1 16 4022 1 1 9 LEU HG H 5.611 -6.010 0.996 1.00 . A A . 9 LEU HG 1 1 16 4023 1 1 9 LEU N N 3.798 -2.758 1.718 1.00 . A A . 9 LEU N 1 1 16 4024 1 1 9 LEU O O 6.706 -2.516 -0.287 1.00 . A A . 9 LEU O 1 1 16 4025 1 1 10 GLY C C 6.475 0.365 -1.307 1.00 . A A . 10 GLY C 1 1 16 4026 1 1 10 GLY CA C 5.395 -0.606 -1.849 1.00 . A A . 10 GLY CA 1 1 16 4027 1 1 10 GLY H H 3.782 -1.546 -0.634 1.00 . A A . 10 GLY H 1 1 16 4028 1 1 10 GLY HA2 H 5.835 -1.162 -2.696 1.00 . A A . 10 GLY HA2 1 1 16 4029 1 1 10 GLY HA3 H 4.604 0.009 -2.309 1.00 . A A . 10 GLY HA3 1 1 16 4030 1 1 10 GLY N N 4.769 -1.584 -0.906 1.00 . A A . 10 GLY N 1 1 16 4031 1 1 10 GLY O O 7.486 0.601 -1.966 1.00 . A A . 10 GLY O 1 1 16 4032 1 1 11 ARG C C 8.552 0.784 1.107 1.00 . A A . 11 ARG C 1 1 16 4033 1 1 11 ARG CA C 7.332 1.636 0.650 1.00 . A A . 11 ARG CA 1 1 16 4034 1 1 11 ARG CB C 6.677 2.339 1.873 1.00 . A A . 11 ARG CB 1 1 16 4035 1 1 11 ARG CD C 6.831 4.783 1.097 1.00 . A A . 11 ARG CD 1 1 16 4036 1 1 11 ARG CG C 5.898 3.617 1.526 1.00 . A A . 11 ARG CG 1 1 16 4037 1 1 11 ARG CZ C 5.553 5.849 -0.785 1.00 . A A . 11 ARG CZ 1 1 16 4038 1 1 11 ARG H H 5.445 0.508 0.360 1.00 . A A . 11 ARG H 1 1 16 4039 1 1 11 ARG HA H 7.766 2.402 -0.022 1.00 . A A . 11 ARG HA 1 1 16 4040 1 1 11 ARG HB2 H 6.026 1.618 2.411 1.00 . A A . 11 ARG HB2 1 1 16 4041 1 1 11 ARG HB3 H 7.454 2.594 2.624 1.00 . A A . 11 ARG HB3 1 1 16 4042 1 1 11 ARG HD2 H 6.750 5.640 1.798 1.00 . A A . 11 ARG HD2 1 1 16 4043 1 1 11 ARG HD3 H 7.901 4.495 1.213 1.00 . A A . 11 ARG HD3 1 1 16 4044 1 1 11 ARG HE H 7.313 4.972 -1.043 1.00 . A A . 11 ARG HE 1 1 16 4045 1 1 11 ARG HG2 H 5.150 3.355 0.749 1.00 . A A . 11 ARG HG2 1 1 16 4046 1 1 11 ARG HG3 H 5.305 3.905 2.414 1.00 . A A . 11 ARG HG3 1 1 16 4047 1 1 11 ARG HH11 H 3.873 6.838 -0.412 1.00 . A A . 11 ARG HH11 1 1 16 4048 1 1 11 ARG HH12 H 4.827 5.998 0.951 1.00 . A A . 11 ARG HH12 1 1 16 4049 1 1 11 ARG HH21 H 4.681 6.663 -2.377 1.00 . A A . 11 ARG HH21 1 1 16 4050 1 1 11 ARG HH22 H 6.302 5.874 -2.609 1.00 . A A . 11 ARG HH22 1 1 16 4051 1 1 11 ARG N N 6.262 0.919 -0.106 1.00 . A A . 11 ARG N 1 1 16 4052 1 1 11 ARG NE N 6.609 5.192 -0.325 1.00 . A A . 11 ARG NE 1 1 16 4053 1 1 11 ARG NH1 N 4.566 6.204 -0.017 1.00 . A A . 11 ARG NH1 1 1 16 4054 1 1 11 ARG NH2 N 5.498 6.152 -2.039 1.00 . A A . 11 ARG NH2 1 1 16 4055 1 1 11 ARG O O 9.685 1.118 0.758 1.00 . A A . 11 ARG O 1 1 16 4056 1 1 12 ILE C C 10.141 -1.954 1.151 1.00 . A A . 12 ILE C 1 1 16 4057 1 1 12 ILE CA C 9.384 -1.231 2.332 1.00 . A A . 12 ILE CA 1 1 16 4058 1 1 12 ILE CB C 8.813 -2.252 3.385 1.00 . A A . 12 ILE CB 1 1 16 4059 1 1 12 ILE CD1 C 7.233 -2.641 5.428 1.00 . A A . 12 ILE CD1 1 1 16 4060 1 1 12 ILE CG1 C 7.991 -1.622 4.556 1.00 . A A . 12 ILE CG1 1 1 16 4061 1 1 12 ILE CG2 C 9.939 -3.166 3.961 1.00 . A A . 12 ILE CG2 1 1 16 4062 1 1 12 ILE H H 7.323 -0.482 2.056 1.00 . A A . 12 ILE H 1 1 16 4063 1 1 12 ILE HA H 10.158 -0.632 2.854 1.00 . A A . 12 ILE HA 1 1 16 4064 1 1 12 ILE HB H 8.108 -2.902 2.825 1.00 . A A . 12 ILE HB 1 1 16 4065 1 1 12 ILE HD11 H 6.692 -3.387 4.815 1.00 . A A . 12 ILE HD11 1 1 16 4066 1 1 12 ILE HD12 H 7.921 -3.201 6.089 1.00 . A A . 12 ILE HD12 1 1 16 4067 1 1 12 ILE HD13 H 6.489 -2.149 6.081 1.00 . A A . 12 ILE HD13 1 1 16 4068 1 1 12 ILE HG12 H 8.641 -0.980 5.180 1.00 . A A . 12 ILE HG12 1 1 16 4069 1 1 12 ILE HG13 H 7.233 -0.930 4.153 1.00 . A A . 12 ILE HG13 1 1 16 4070 1 1 12 ILE HG21 H 10.958 -2.803 3.722 1.00 . A A . 12 ILE HG21 1 1 16 4071 1 1 12 ILE HG22 H 9.924 -3.273 5.059 1.00 . A A . 12 ILE HG22 1 1 16 4072 1 1 12 ILE HG23 H 9.873 -4.186 3.539 1.00 . A A . 12 ILE HG23 1 1 16 4073 1 1 12 ILE N N 8.315 -0.279 1.890 1.00 . A A . 12 ILE N 1 1 16 4074 1 1 12 ILE O O 11.344 -2.188 1.261 1.00 . A A . 12 ILE O 1 1 16 4075 1 1 13 LEU C C 11.359 -1.938 -1.715 1.00 . A A . 13 LEU C 1 1 16 4076 1 1 13 LEU CA C 10.083 -2.717 -1.245 1.00 . A A . 13 LEU CA 1 1 16 4077 1 1 13 LEU CB C 8.976 -2.693 -2.357 1.00 . A A . 13 LEU CB 1 1 16 4078 1 1 13 LEU CD1 C 7.000 -3.783 -3.555 1.00 . A A . 13 LEU CD1 1 1 16 4079 1 1 13 LEU CD2 C 9.191 -5.018 -3.330 1.00 . A A . 13 LEU CD2 1 1 16 4080 1 1 13 LEU CG C 8.235 -4.021 -2.652 1.00 . A A . 13 LEU CG 1 1 16 4081 1 1 13 LEU H H 8.462 -2.016 0.075 1.00 . A A . 13 LEU H 1 1 16 4082 1 1 13 LEU HA H 10.412 -3.759 -1.072 1.00 . A A . 13 LEU HA 1 1 16 4083 1 1 13 LEU HB2 H 8.238 -1.901 -2.133 1.00 . A A . 13 LEU HB2 1 1 16 4084 1 1 13 LEU HB3 H 9.401 -2.338 -3.315 1.00 . A A . 13 LEU HB3 1 1 16 4085 1 1 13 LEU HD11 H 7.008 -4.386 -4.483 1.00 . A A . 13 LEU HD11 1 1 16 4086 1 1 13 LEU HD12 H 6.064 -4.036 -3.024 1.00 . A A . 13 LEU HD12 1 1 16 4087 1 1 13 LEU HD13 H 6.902 -2.734 -3.888 1.00 . A A . 13 LEU HD13 1 1 16 4088 1 1 13 LEU HD21 H 9.554 -4.639 -4.305 1.00 . A A . 13 LEU HD21 1 1 16 4089 1 1 13 LEU HD22 H 10.089 -5.220 -2.718 1.00 . A A . 13 LEU HD22 1 1 16 4090 1 1 13 LEU HD23 H 8.710 -5.995 -3.512 1.00 . A A . 13 LEU HD23 1 1 16 4091 1 1 13 LEU HG H 7.887 -4.458 -1.693 1.00 . A A . 13 LEU HG 1 1 16 4092 1 1 13 LEU N N 9.461 -2.263 0.032 1.00 . A A . 13 LEU N 1 1 16 4093 1 1 13 LEU O O 12.418 -2.512 -1.941 1.00 . A A . 13 LEU O 1 1 16 4094 1 1 14 NH2 HN1 H 12.257 -0.232 -1.939 1.00 . A A . 14 NH2 HN1 1 1 16 4095 1 1 14 NH2 HN2 H 10.488 -0.198 -1.449 1.00 . A A . 14 NH2 HN2 1 1 16 4096 1 1 14 NH2 N N 11.318 -0.628 -1.867 1.00 . A A . 14 NH2 N 1 1 17 4097 1 1 1 PHE C C -10.855 4.788 -0.148 1.00 . A A . 1 PHE C 1 1 17 4098 1 1 1 PHE CA C -11.193 5.869 0.926 1.00 . A A . 1 PHE CA 1 1 17 4099 1 1 1 PHE CB C -10.565 5.553 2.318 1.00 . A A . 1 PHE CB 1 1 17 4100 1 1 1 PHE CD1 C -10.404 3.022 2.677 1.00 . A A . 1 PHE CD1 1 1 17 4101 1 1 1 PHE CD2 C -12.084 4.254 3.897 1.00 . A A . 1 PHE CD2 1 1 17 4102 1 1 1 PHE CE1 C -10.880 1.834 3.216 1.00 . A A . 1 PHE CE1 1 1 17 4103 1 1 1 PHE CE2 C -12.555 3.065 4.440 1.00 . A A . 1 PHE CE2 1 1 17 4104 1 1 1 PHE CG C -11.010 4.244 3.000 1.00 . A A . 1 PHE CG 1 1 17 4105 1 1 1 PHE CZ C -11.957 1.854 4.100 1.00 . A A . 1 PHE CZ 1 1 17 4106 1 1 1 PHE H1 H -12.926 6.824 1.711 1.00 . A A . 1 PHE H1 1 1 17 4107 1 1 1 PHE H2 H -13.115 6.261 0.152 1.00 . A A . 1 PHE H2 1 1 17 4108 1 1 1 PHE H3 H -13.097 5.209 1.397 1.00 . A A . 1 PHE H3 1 1 17 4109 1 1 1 PHE HA H -10.745 6.817 0.563 1.00 . A A . 1 PHE HA 1 1 17 4110 1 1 1 PHE HB2 H -9.461 5.524 2.210 1.00 . A A . 1 PHE HB2 1 1 17 4111 1 1 1 PHE HB3 H -10.717 6.408 3.005 1.00 . A A . 1 PHE HB3 1 1 17 4112 1 1 1 PHE HD1 H -9.576 2.983 1.985 1.00 . A A . 1 PHE HD1 1 1 17 4113 1 1 1 PHE HD2 H -12.564 5.183 4.171 1.00 . A A . 1 PHE HD2 1 1 17 4114 1 1 1 PHE HE1 H -10.421 0.891 2.946 1.00 . A A . 1 PHE HE1 1 1 17 4115 1 1 1 PHE HE2 H -13.389 3.077 5.131 1.00 . A A . 1 PHE HE2 1 1 17 4116 1 1 1 PHE HZ H -12.325 0.931 4.523 1.00 . A A . 1 PHE HZ 1 1 17 4117 1 1 1 PHE N N -12.664 6.079 1.058 1.00 . A A . 1 PHE N 1 1 17 4118 1 1 1 PHE O O -11.692 3.935 -0.459 1.00 . A A . 1 PHE O 1 1 17 4119 1 1 2 VAL C C -8.623 2.447 -0.733 1.00 . A A . 2 VAL C 1 1 17 4120 1 1 2 VAL CA C -9.146 3.696 -1.559 1.00 . A A . 2 VAL CA 1 1 17 4121 1 1 2 VAL CB C -8.126 4.253 -2.602 1.00 . A A . 2 VAL CB 1 1 17 4122 1 1 2 VAL CG1 C -6.717 4.487 -2.030 1.00 . A A . 2 VAL CG1 1 1 17 4123 1 1 2 VAL CG2 C -7.996 3.343 -3.844 1.00 . A A . 2 VAL CG2 1 1 17 4124 1 1 2 VAL H H -8.943 5.446 -0.271 1.00 . A A . 2 VAL H 1 1 17 4125 1 1 2 VAL HA H -10.019 3.388 -2.163 1.00 . A A . 2 VAL HA 1 1 17 4126 1 1 2 VAL HB H -8.508 5.226 -2.972 1.00 . A A . 2 VAL HB 1 1 17 4127 1 1 2 VAL HG11 H -6.736 4.971 -1.037 1.00 . A A . 2 VAL HG11 1 1 17 4128 1 1 2 VAL HG12 H -6.182 3.527 -1.889 1.00 . A A . 2 VAL HG12 1 1 17 4129 1 1 2 VAL HG13 H -6.097 5.114 -2.694 1.00 . A A . 2 VAL HG13 1 1 17 4130 1 1 2 VAL HG21 H -7.284 3.740 -4.589 1.00 . A A . 2 VAL HG21 1 1 17 4131 1 1 2 VAL HG22 H -7.643 2.326 -3.581 1.00 . A A . 2 VAL HG22 1 1 17 4132 1 1 2 VAL HG23 H -8.964 3.224 -4.367 1.00 . A A . 2 VAL HG23 1 1 17 4133 1 1 2 VAL N N -9.622 4.795 -0.676 1.00 . A A . 2 VAL N 1 1 17 4134 1 1 2 VAL O O -7.873 2.636 0.235 1.00 . A A . 2 VAL O 1 1 17 4135 1 1 3 . C C -6.871 -0.263 -0.946 1.00 . A A . 3 PH6 C 1 1 17 4136 1 1 3 . C1 C -13.771 -1.499 -1.875 1.00 . A A . 3 PH6 C1 1 1 17 4137 1 1 3 . C2 C -12.391 -0.940 -1.505 1.00 . A A . 3 PH6 C2 1 1 17 4138 1 1 3 . C3 C -11.320 -1.216 -2.616 1.00 . A A . 3 PH6 C3 1 1 17 4139 1 1 3 . C4 C -11.814 -0.694 -4.003 1.00 . A A . 3 PH6 C4 1 1 17 4140 1 1 3 . C5 C -13.214 -1.240 -4.355 1.00 . A A . 3 PH6 C5 1 1 17 4141 1 1 3 . C6 C -14.232 -0.922 -3.232 1.00 . A A . 3 PH6 C6 1 1 17 4142 1 1 3 . CA C -8.339 -0.036 -0.496 1.00 . A A . 3 PH6 CA 1 1 17 4143 1 1 3 . CB C -9.291 -1.145 -0.966 1.00 . A A . 3 PH6 CB 1 1 17 4144 1 1 3 . CD C -9.907 0.882 -2.159 1.00 . A A . 3 PH6 CD 1 1 17 4145 1 1 3 . CG C -9.923 -0.641 -2.276 1.00 . A A . 3 PH6 CG 1 1 17 4146 1 1 3 . H1 H -13.718 -2.605 -1.917 1.00 . A A . 3 PH6 H1 1 1 17 4147 1 1 3 . H21 H -12.506 0.142 -1.315 1.00 . A A . 3 PH6 H21 1 1 17 4148 1 1 3 . H22 H -14.494 -1.257 -1.074 1.00 . A A . 3 PH6 H22 1 1 17 4149 1 1 3 . H31 H -11.198 -2.315 -2.704 1.00 . A A . 3 PH6 H31 1 1 17 4150 1 1 3 . H32 H -12.088 -1.367 -0.534 1.00 . A A . 3 PH6 H32 1 1 17 4151 1 1 3 . H41 H -11.092 -0.956 -4.801 1.00 . A A . 3 PH6 H41 1 1 17 4152 1 1 3 . H42 H -11.859 0.413 -4.010 1.00 . A A . 3 PH6 H42 1 1 17 4153 1 1 3 . H51 H -13.558 -0.820 -5.319 1.00 . A A . 3 PH6 H51 1 1 17 4154 1 1 3 . H52 H -13.151 -2.335 -4.509 1.00 . A A . 3 PH6 H52 1 1 17 4155 1 1 3 . H61 H -15.230 -1.321 -3.490 1.00 . A A . 3 PH6 H61 1 1 17 4156 1 1 3 . H62 H -14.360 0.175 -3.144 1.00 . A A . 3 PH6 H62 1 1 17 4157 1 1 3 . HA H -8.381 0.007 0.612 1.00 . A A . 3 PH6 HA 1 1 17 4158 1 1 3 . HB2 H -10.031 -1.335 -0.173 1.00 . A A . 3 PH6 HB2 1 1 17 4159 1 1 3 . HB3 H -8.780 -2.112 -1.120 1.00 . A A . 3 PH6 HB3 1 1 17 4160 1 1 3 . HD2 H -10.887 1.309 -1.881 1.00 . A A . 3 PH6 HD2 1 1 17 4161 1 1 3 . HD3 H -9.641 1.325 -3.134 1.00 . A A . 3 PH6 HD3 1 1 17 4162 1 1 3 . HG2 H -9.219 -0.911 -3.092 1.00 . A A . 3 PH6 HG2 1 1 17 4163 1 1 3 . N N -8.942 1.179 -1.102 1.00 . A A . 3 PH6 N 1 1 17 4164 1 1 3 . O O -6.555 -1.002 -1.884 1.00 . A A . 3 PH6 O 1 1 17 4165 1 1 4 TRP C C -3.979 -1.083 0.054 1.00 . A A . 4 TRP C 1 1 17 4166 1 1 4 TRP CA C -4.521 0.270 -0.495 1.00 . A A . 4 TRP CA 1 1 17 4167 1 1 4 TRP CB C -3.791 1.482 0.128 1.00 . A A . 4 TRP CB 1 1 17 4168 1 1 4 TRP CD1 C -3.297 2.743 -2.153 1.00 . A A . 4 TRP CD1 1 1 17 4169 1 1 4 TRP CD2 C -3.653 4.040 -0.380 1.00 . A A . 4 TRP CD2 1 1 17 4170 1 1 4 TRP CE2 C -3.417 4.844 -1.524 1.00 . A A . 4 TRP CE2 1 1 17 4171 1 1 4 TRP CE3 C -3.949 4.639 0.872 1.00 . A A . 4 TRP CE3 1 1 17 4172 1 1 4 TRP CG C -3.598 2.715 -0.767 1.00 . A A . 4 TRP CG 1 1 17 4173 1 1 4 TRP CH2 C -3.803 6.825 -0.192 1.00 . A A . 4 TRP CH2 1 1 17 4174 1 1 4 TRP CZ2 C -3.516 6.250 -1.433 1.00 . A A . 4 TRP CZ2 1 1 17 4175 1 1 4 TRP CZ3 C -4.009 6.031 0.944 1.00 . A A . 4 TRP CZ3 1 1 17 4176 1 1 4 TRP H H -6.374 1.128 0.369 1.00 . A A . 4 TRP H 1 1 17 4177 1 1 4 TRP HA H -4.368 0.294 -1.594 1.00 . A A . 4 TRP HA 1 1 17 4178 1 1 4 TRP HB2 H -4.258 1.757 1.094 1.00 . A A . 4 TRP HB2 1 1 17 4179 1 1 4 TRP HB3 H -2.796 1.149 0.436 1.00 . A A . 4 TRP HB3 1 1 17 4180 1 1 4 TRP HD1 H -3.206 1.865 -2.780 1.00 . A A . 4 TRP HD1 1 1 17 4181 1 1 4 TRP HE1 H -3.138 4.360 -3.622 1.00 . A A . 4 TRP HE1 1 1 17 4182 1 1 4 TRP HE3 H -4.150 4.034 1.745 1.00 . A A . 4 TRP HE3 1 1 17 4183 1 1 4 TRP HH2 H -3.889 7.899 -0.112 1.00 . A A . 4 TRP HH2 1 1 17 4184 1 1 4 TRP HZ2 H -3.402 6.864 -2.315 1.00 . A A . 4 TRP HZ2 1 1 17 4185 1 1 4 TRP HZ3 H -4.239 6.501 1.889 1.00 . A A . 4 TRP HZ3 1 1 17 4186 1 1 4 TRP N N -5.964 0.414 -0.245 1.00 . A A . 4 TRP N 1 1 17 4187 1 1 4 TRP NE1 N -3.184 4.059 -2.639 1.00 . A A . 4 TRP NE1 1 1 17 4188 1 1 4 TRP O O -3.988 -1.350 1.258 1.00 . A A . 4 TRP O 1 1 17 4189 1 1 5 PHE C C -1.366 -3.248 -0.661 1.00 . A A . 5 PHE C 1 1 17 4190 1 1 5 PHE CA C -2.916 -3.244 -0.554 1.00 . A A . 5 PHE CA 1 1 17 4191 1 1 5 PHE CB C -3.578 -4.307 -1.478 1.00 . A A . 5 PHE CB 1 1 17 4192 1 1 5 PHE CD1 C -5.729 -4.664 -0.150 1.00 . A A . 5 PHE CD1 1 1 17 4193 1 1 5 PHE CD2 C -5.893 -4.316 -2.534 1.00 . A A . 5 PHE CD2 1 1 17 4194 1 1 5 PHE CE1 C -7.111 -4.755 -0.067 1.00 . A A . 5 PHE CE1 1 1 17 4195 1 1 5 PHE CE2 C -7.275 -4.419 -2.452 1.00 . A A . 5 PHE CE2 1 1 17 4196 1 1 5 PHE CG C -5.105 -4.442 -1.383 1.00 . A A . 5 PHE CG 1 1 17 4197 1 1 5 PHE CZ C -7.887 -4.648 -1.220 1.00 . A A . 5 PHE CZ 1 1 17 4198 1 1 5 PHE H H -3.688 -1.607 -1.827 1.00 . A A . 5 PHE H 1 1 17 4199 1 1 5 PHE HA H -3.146 -3.526 0.495 1.00 . A A . 5 PHE HA 1 1 17 4200 1 1 5 PHE HB2 H -3.277 -4.119 -2.528 1.00 . A A . 5 PHE HB2 1 1 17 4201 1 1 5 PHE HB3 H -3.141 -5.298 -1.251 1.00 . A A . 5 PHE HB3 1 1 17 4202 1 1 5 PHE HD1 H -5.139 -4.743 0.754 1.00 . A A . 5 PHE HD1 1 1 17 4203 1 1 5 PHE HD2 H -5.434 -4.129 -3.496 1.00 . A A . 5 PHE HD2 1 1 17 4204 1 1 5 PHE HE1 H -7.583 -4.906 0.893 1.00 . A A . 5 PHE HE1 1 1 17 4205 1 1 5 PHE HE2 H -7.878 -4.316 -3.344 1.00 . A A . 5 PHE HE2 1 1 17 4206 1 1 5 PHE HZ H -8.960 -4.720 -1.155 1.00 . A A . 5 PHE HZ 1 1 17 4207 1 1 5 PHE N N -3.467 -1.895 -0.868 1.00 . A A . 5 PHE N 1 1 17 4208 1 1 5 PHE O O -0.662 -3.543 0.306 1.00 . A A . 5 PHE O 1 1 17 4209 1 1 6 SER C C 1.144 -1.198 -1.513 1.00 . A A . 6 SER C 1 1 17 4210 1 1 6 SER CA C 0.627 -2.602 -2.009 1.00 . A A . 6 SER CA 1 1 17 4211 1 1 6 SER CB C 0.926 -2.843 -3.514 1.00 . A A . 6 SER CB 1 1 17 4212 1 1 6 SER H H -1.522 -2.469 -2.484 1.00 . A A . 6 SER H 1 1 17 4213 1 1 6 SER HA H 1.194 -3.365 -1.437 1.00 . A A . 6 SER HA 1 1 17 4214 1 1 6 SER HB2 H 0.679 -1.942 -4.110 1.00 . A A . 6 SER HB2 1 1 17 4215 1 1 6 SER HB3 H 2.015 -2.985 -3.648 1.00 . A A . 6 SER HB3 1 1 17 4216 1 1 6 SER HG H -0.040 -4.539 -3.359 1.00 . A A . 6 SER HG 1 1 17 4217 1 1 6 SER N N -0.829 -2.832 -1.821 1.00 . A A . 6 SER N 1 1 17 4218 1 1 6 SER O O 2.126 -0.664 -2.030 1.00 . A A . 6 SER O 1 1 17 4219 1 1 6 SER OG O 0.249 -3.971 -4.082 1.00 . A A . 6 SER OG 1 1 17 4220 1 1 7 LYS C C 2.142 0.416 1.214 1.00 . A A . 7 LYS C 1 1 17 4221 1 1 7 LYS CA C 1.023 0.648 0.160 1.00 . A A . 7 LYS CA 1 1 17 4222 1 1 7 LYS CB C -0.191 1.420 0.740 1.00 . A A . 7 LYS CB 1 1 17 4223 1 1 7 LYS CD C 0.859 3.740 0.634 1.00 . A A . 7 LYS CD 1 1 17 4224 1 1 7 LYS CE C 1.111 5.052 1.375 1.00 . A A . 7 LYS CE 1 1 17 4225 1 1 7 LYS CG C 0.125 2.718 1.521 1.00 . A A . 7 LYS CG 1 1 17 4226 1 1 7 LYS H H -0.240 -1.172 -0.098 1.00 . A A . 7 LYS H 1 1 17 4227 1 1 7 LYS HA H 1.465 1.286 -0.631 1.00 . A A . 7 LYS HA 1 1 17 4228 1 1 7 LYS HB2 H -0.861 1.669 -0.103 1.00 . A A . 7 LYS HB2 1 1 17 4229 1 1 7 LYS HB3 H -0.774 0.749 1.407 1.00 . A A . 7 LYS HB3 1 1 17 4230 1 1 7 LYS HD2 H 1.825 3.302 0.301 1.00 . A A . 7 LYS HD2 1 1 17 4231 1 1 7 LYS HD3 H 0.265 3.895 -0.293 1.00 . A A . 7 LYS HD3 1 1 17 4232 1 1 7 LYS HE2 H 0.148 5.459 1.766 1.00 . A A . 7 LYS HE2 1 1 17 4233 1 1 7 LYS HE3 H 1.740 4.864 2.278 1.00 . A A . 7 LYS HE3 1 1 17 4234 1 1 7 LYS HG2 H -0.820 3.139 1.923 1.00 . A A . 7 LYS HG2 1 1 17 4235 1 1 7 LYS HG3 H 0.729 2.471 2.421 1.00 . A A . 7 LYS HG3 1 1 17 4236 1 1 7 LYS HZ1 H 1.941 6.919 0.792 1.00 . A A . 7 LYS HZ1 1 1 17 4237 1 1 7 LYS HZ2 H 2.645 5.613 0.039 1.00 . A A . 7 LYS HZ2 1 1 17 4238 1 1 7 LYS HZ3 H 1.173 6.130 -0.425 1.00 . A A . 7 LYS HZ3 1 1 17 4239 1 1 7 LYS N N 0.525 -0.599 -0.478 1.00 . A A . 7 LYS N 1 1 17 4240 1 1 7 LYS NZ N 1.759 5.982 0.410 1.00 . A A . 7 LYS NZ 1 1 17 4241 1 1 7 LYS O O 3.214 1.023 1.125 1.00 . A A . 7 LYS O 1 1 17 4242 1 1 8 PHE C C 4.052 -1.660 2.606 1.00 . A A . 8 PHE C 1 1 17 4243 1 1 8 PHE CA C 2.867 -0.860 3.218 1.00 . A A . 8 PHE CA 1 1 17 4244 1 1 8 PHE CB C 2.114 -1.649 4.334 1.00 . A A . 8 PHE CB 1 1 17 4245 1 1 8 PHE CD1 C 3.155 -1.573 6.647 1.00 . A A . 8 PHE CD1 1 1 17 4246 1 1 8 PHE CD2 C 1.607 0.173 6.015 1.00 . A A . 8 PHE CD2 1 1 17 4247 1 1 8 PHE CE1 C 3.329 -0.967 7.884 1.00 . A A . 8 PHE CE1 1 1 17 4248 1 1 8 PHE CE2 C 1.788 0.782 7.250 1.00 . A A . 8 PHE CE2 1 1 17 4249 1 1 8 PHE CG C 2.286 -1.010 5.707 1.00 . A A . 8 PHE CG 1 1 17 4250 1 1 8 PHE CZ C 2.646 0.210 8.190 1.00 . A A . 8 PHE CZ 1 1 17 4251 1 1 8 PHE H H 0.980 -0.931 2.093 1.00 . A A . 8 PHE H 1 1 17 4252 1 1 8 PHE HA H 3.331 0.053 3.645 1.00 . A A . 8 PHE HA 1 1 17 4253 1 1 8 PHE HB2 H 1.029 -1.767 4.138 1.00 . A A . 8 PHE HB2 1 1 17 4254 1 1 8 PHE HB3 H 2.455 -2.705 4.365 1.00 . A A . 8 PHE HB3 1 1 17 4255 1 1 8 PHE HD1 H 3.698 -2.480 6.416 1.00 . A A . 8 PHE HD1 1 1 17 4256 1 1 8 PHE HD2 H 0.949 0.626 5.285 1.00 . A A . 8 PHE HD2 1 1 17 4257 1 1 8 PHE HE1 H 3.992 -1.415 8.613 1.00 . A A . 8 PHE HE1 1 1 17 4258 1 1 8 PHE HE2 H 1.262 1.696 7.486 1.00 . A A . 8 PHE HE2 1 1 17 4259 1 1 8 PHE HZ H 2.775 0.671 9.156 1.00 . A A . 8 PHE HZ 1 1 17 4260 1 1 8 PHE N N 1.854 -0.411 2.228 1.00 . A A . 8 PHE N 1 1 17 4261 1 1 8 PHE O O 5.212 -1.312 2.824 1.00 . A A . 8 PHE O 1 1 17 4262 1 1 9 LEU C C 5.468 -2.461 -0.114 1.00 . A A . 9 LEU C 1 1 17 4263 1 1 9 LEU CA C 4.752 -3.353 0.939 1.00 . A A . 9 LEU CA 1 1 17 4264 1 1 9 LEU CB C 4.092 -4.611 0.303 1.00 . A A . 9 LEU CB 1 1 17 4265 1 1 9 LEU CD1 C 3.769 -6.085 2.370 1.00 . A A . 9 LEU CD1 1 1 17 4266 1 1 9 LEU CD2 C 4.168 -7.136 0.098 1.00 . A A . 9 LEU CD2 1 1 17 4267 1 1 9 LEU CG C 4.473 -5.933 1.007 1.00 . A A . 9 LEU CG 1 1 17 4268 1 1 9 LEU H H 2.741 -2.717 1.556 1.00 . A A . 9 LEU H 1 1 17 4269 1 1 9 LEU HA H 5.564 -3.680 1.624 1.00 . A A . 9 LEU HA 1 1 17 4270 1 1 9 LEU HB2 H 2.991 -4.524 0.220 1.00 . A A . 9 LEU HB2 1 1 17 4271 1 1 9 LEU HB3 H 4.421 -4.685 -0.752 1.00 . A A . 9 LEU HB3 1 1 17 4272 1 1 9 LEU HD11 H 4.280 -6.829 3.008 1.00 . A A . 9 LEU HD11 1 1 17 4273 1 1 9 LEU HD12 H 3.752 -5.145 2.951 1.00 . A A . 9 LEU HD12 1 1 17 4274 1 1 9 LEU HD13 H 2.716 -6.409 2.267 1.00 . A A . 9 LEU HD13 1 1 17 4275 1 1 9 LEU HD21 H 4.885 -7.959 0.277 1.00 . A A . 9 LEU HD21 1 1 17 4276 1 1 9 LEU HD22 H 3.154 -7.548 0.250 1.00 . A A . 9 LEU HD22 1 1 17 4277 1 1 9 LEU HD23 H 4.251 -6.896 -0.979 1.00 . A A . 9 LEU HD23 1 1 17 4278 1 1 9 LEU HG H 5.571 -5.921 1.177 1.00 . A A . 9 LEU HG 1 1 17 4279 1 1 9 LEU N N 3.741 -2.656 1.765 1.00 . A A . 9 LEU N 1 1 17 4280 1 1 9 LEU O O 6.686 -2.527 -0.182 1.00 . A A . 9 LEU O 1 1 17 4281 1 1 10 GLY C C 6.495 0.294 -1.352 1.00 . A A . 10 GLY C 1 1 17 4282 1 1 10 GLY CA C 5.416 -0.689 -1.871 1.00 . A A . 10 GLY CA 1 1 17 4283 1 1 10 GLY H H 3.777 -1.556 -0.640 1.00 . A A . 10 GLY H 1 1 17 4284 1 1 10 GLY HA2 H 5.864 -1.280 -2.691 1.00 . A A . 10 GLY HA2 1 1 17 4285 1 1 10 GLY HA3 H 4.636 -0.085 -2.366 1.00 . A A . 10 GLY HA3 1 1 17 4286 1 1 10 GLY N N 4.767 -1.619 -0.896 1.00 . A A . 10 GLY N 1 1 17 4287 1 1 10 GLY O O 7.526 0.484 -1.996 1.00 . A A . 10 GLY O 1 1 17 4288 1 1 11 ARG C C 8.538 0.809 1.076 1.00 . A A . 11 ARG C 1 1 17 4289 1 1 11 ARG CA C 7.326 1.641 0.559 1.00 . A A . 11 ARG CA 1 1 17 4290 1 1 11 ARG CB C 6.645 2.411 1.728 1.00 . A A . 11 ARG CB 1 1 17 4291 1 1 11 ARG CD C 6.992 4.766 0.871 1.00 . A A . 11 ARG CD 1 1 17 4292 1 1 11 ARG CG C 5.951 3.731 1.337 1.00 . A A . 11 ARG CG 1 1 17 4293 1 1 11 ARG CZ C 7.087 7.225 0.497 1.00 . A A . 11 ARG CZ 1 1 17 4294 1 1 11 ARG H H 5.429 0.530 0.284 1.00 . A A . 11 ARG H 1 1 17 4295 1 1 11 ARG HA H 7.784 2.359 -0.147 1.00 . A A . 11 ARG HA 1 1 17 4296 1 1 11 ARG HB2 H 5.939 1.738 2.258 1.00 . A A . 11 ARG HB2 1 1 17 4297 1 1 11 ARG HB3 H 7.400 2.639 2.511 1.00 . A A . 11 ARG HB3 1 1 17 4298 1 1 11 ARG HD2 H 7.907 4.697 1.502 1.00 . A A . 11 ARG HD2 1 1 17 4299 1 1 11 ARG HD3 H 7.324 4.509 -0.159 1.00 . A A . 11 ARG HD3 1 1 17 4300 1 1 11 ARG HE H 5.602 6.347 1.469 1.00 . A A . 11 ARG HE 1 1 17 4301 1 1 11 ARG HG2 H 5.203 3.530 0.543 1.00 . A A . 11 ARG HG2 1 1 17 4302 1 1 11 ARG HG3 H 5.383 4.082 2.219 1.00 . A A . 11 ARG HG3 1 1 17 4303 1 1 11 ARG HH11 H 8.700 8.061 -0.373 1.00 . A A . 11 ARG HH11 1 1 17 4304 1 1 11 ARG HH12 H 8.660 6.250 -0.160 1.00 . A A . 11 ARG HH12 1 1 17 4305 1 1 11 ARG HH21 H 7.053 9.192 0.345 1.00 . A A . 11 ARG HH21 1 1 17 4306 1 1 11 ARG HH22 H 5.646 8.397 1.182 1.00 . A A . 11 ARG HH22 1 1 17 4307 1 1 11 ARG N N 6.264 0.903 -0.181 1.00 . A A . 11 ARG N 1 1 17 4308 1 1 11 ARG NE N 6.445 6.145 0.929 1.00 . A A . 11 ARG NE 1 1 17 4309 1 1 11 ARG NH1 N 8.251 7.187 -0.092 1.00 . A A . 11 ARG NH1 1 1 17 4310 1 1 11 ARG NH2 N 6.529 8.378 0.673 1.00 . A A . 11 ARG NH2 1 1 17 4311 1 1 11 ARG O O 9.678 1.136 0.745 1.00 . A A . 11 ARG O 1 1 17 4312 1 1 12 ILE C C 10.118 -1.927 1.230 1.00 . A A . 12 ILE C 1 1 17 4313 1 1 12 ILE CA C 9.348 -1.168 2.378 1.00 . A A . 12 ILE CA 1 1 17 4314 1 1 12 ILE CB C 8.747 -2.156 3.446 1.00 . A A . 12 ILE CB 1 1 17 4315 1 1 12 ILE CD1 C 7.163 -2.449 5.516 1.00 . A A . 12 ILE CD1 1 1 17 4316 1 1 12 ILE CG1 C 7.927 -1.480 4.592 1.00 . A A . 12 ILE CG1 1 1 17 4317 1 1 12 ILE CG2 C 9.857 -3.036 4.083 1.00 . A A . 12 ILE CG2 1 1 17 4318 1 1 12 ILE H H 7.293 -0.420 2.047 1.00 . A A . 12 ILE H 1 1 17 4319 1 1 12 ILE HA H 10.117 -0.560 2.896 1.00 . A A . 12 ILE HA 1 1 17 4320 1 1 12 ILE HB H 8.052 -2.826 2.899 1.00 . A A . 12 ILE HB 1 1 17 4321 1 1 12 ILE HD11 H 7.034 -3.450 5.061 1.00 . A A . 12 ILE HD11 1 1 17 4322 1 1 12 ILE HD12 H 7.705 -2.595 6.469 1.00 . A A . 12 ILE HD12 1 1 17 4323 1 1 12 ILE HD13 H 6.152 -2.077 5.760 1.00 . A A . 12 ILE HD13 1 1 17 4324 1 1 12 ILE HG12 H 8.574 -0.806 5.186 1.00 . A A . 12 ILE HG12 1 1 17 4325 1 1 12 ILE HG13 H 7.174 -0.800 4.157 1.00 . A A . 12 ILE HG13 1 1 17 4326 1 1 12 ILE HG21 H 9.462 -3.766 4.812 1.00 . A A . 12 ILE HG21 1 1 17 4327 1 1 12 ILE HG22 H 10.398 -3.637 3.328 1.00 . A A . 12 ILE HG22 1 1 17 4328 1 1 12 ILE HG23 H 10.617 -2.425 4.606 1.00 . A A . 12 ILE HG23 1 1 17 4329 1 1 12 ILE N N 8.287 -0.224 1.892 1.00 . A A . 12 ILE N 1 1 17 4330 1 1 12 ILE O O 11.320 -2.157 1.362 1.00 . A A . 12 ILE O 1 1 17 4331 1 1 13 LEU C C 11.355 -2.051 -1.624 1.00 . A A . 13 LEU C 1 1 17 4332 1 1 13 LEU CA C 10.066 -2.796 -1.134 1.00 . A A . 13 LEU CA 1 1 17 4333 1 1 13 LEU CB C 8.958 -2.807 -2.247 1.00 . A A . 13 LEU CB 1 1 17 4334 1 1 13 LEU CD1 C 6.948 -3.939 -3.321 1.00 . A A . 13 LEU CD1 1 1 17 4335 1 1 13 LEU CD2 C 9.164 -5.132 -3.226 1.00 . A A . 13 LEU CD2 1 1 17 4336 1 1 13 LEU CG C 8.232 -4.152 -2.492 1.00 . A A . 13 LEU CG 1 1 17 4337 1 1 13 LEU H H 8.446 -2.030 0.147 1.00 . A A . 13 LEU H 1 1 17 4338 1 1 13 LEU HA H 10.380 -3.836 -0.921 1.00 . A A . 13 LEU HA 1 1 17 4339 1 1 13 LEU HB2 H 8.216 -2.010 -2.053 1.00 . A A . 13 LEU HB2 1 1 17 4340 1 1 13 LEU HB3 H 9.384 -2.482 -3.216 1.00 . A A . 13 LEU HB3 1 1 17 4341 1 1 13 LEU HD11 H 6.619 -4.854 -3.846 1.00 . A A . 13 LEU HD11 1 1 17 4342 1 1 13 LEU HD12 H 6.105 -3.629 -2.680 1.00 . A A . 13 LEU HD12 1 1 17 4343 1 1 13 LEU HD13 H 7.072 -3.156 -4.094 1.00 . A A . 13 LEU HD13 1 1 17 4344 1 1 13 LEU HD21 H 8.847 -6.179 -3.075 1.00 . A A . 13 LEU HD21 1 1 17 4345 1 1 13 LEU HD22 H 9.194 -4.947 -4.317 1.00 . A A . 13 LEU HD22 1 1 17 4346 1 1 13 LEU HD23 H 10.211 -5.068 -2.874 1.00 . A A . 13 LEU HD23 1 1 17 4347 1 1 13 LEU HG H 7.947 -4.591 -1.513 1.00 . A A . 13 LEU HG 1 1 17 4348 1 1 13 LEU N N 9.444 -2.281 0.119 1.00 . A A . 13 LEU N 1 1 17 4349 1 1 13 LEU O O 12.425 -2.632 -1.759 1.00 . A A . 13 LEU O 1 1 17 4350 1 1 14 NH2 HN1 H 12.247 -0.358 -1.973 1.00 . A A . 14 NH2 HN1 1 1 17 4351 1 1 14 NH2 HN2 H 10.455 -0.303 -1.562 1.00 . A A . 14 NH2 HN2 1 1 17 4352 1 1 14 NH2 N N 11.312 -0.759 -1.888 1.00 . A A . 14 NH2 N 1 1 18 4353 1 1 1 PHE C C -10.754 4.723 0.187 1.00 . A A . 1 PHE C 1 1 18 4354 1 1 1 PHE CA C -10.728 6.237 0.564 1.00 . A A . 1 PHE CA 1 1 18 4355 1 1 1 PHE CB C -9.818 6.535 1.795 1.00 . A A . 1 PHE CB 1 1 18 4356 1 1 1 PHE CD1 C -9.586 4.492 3.323 1.00 . A A . 1 PHE CD1 1 1 18 4357 1 1 1 PHE CD2 C -11.039 6.294 4.017 1.00 . A A . 1 PHE CD2 1 1 18 4358 1 1 1 PHE CE1 C -9.957 3.760 4.445 1.00 . A A . 1 PHE CE1 1 1 18 4359 1 1 1 PHE CE2 C -11.406 5.561 5.139 1.00 . A A . 1 PHE CE2 1 1 18 4360 1 1 1 PHE CG C -10.131 5.763 3.093 1.00 . A A . 1 PHE CG 1 1 18 4361 1 1 1 PHE CZ C -10.868 4.295 5.356 1.00 . A A . 1 PHE CZ 1 1 18 4362 1 1 1 PHE H1 H -12.152 7.761 0.992 1.00 . A A . 1 PHE H1 1 1 18 4363 1 1 1 PHE H2 H -12.734 6.549 0.007 1.00 . A A . 1 PHE H2 1 1 18 4364 1 1 1 PHE H3 H -12.521 6.261 1.596 1.00 . A A . 1 PHE H3 1 1 18 4365 1 1 1 PHE HA H -10.301 6.775 -0.308 1.00 . A A . 1 PHE HA 1 1 18 4366 1 1 1 PHE HB2 H -8.767 6.318 1.513 1.00 . A A . 1 PHE HB2 1 1 18 4367 1 1 1 PHE HB3 H -9.795 7.623 1.998 1.00 . A A . 1 PHE HB3 1 1 18 4368 1 1 1 PHE HD1 H -8.898 4.045 2.615 1.00 . A A . 1 PHE HD1 1 1 18 4369 1 1 1 PHE HD2 H -11.473 7.272 3.866 1.00 . A A . 1 PHE HD2 1 1 18 4370 1 1 1 PHE HE1 H -9.552 2.771 4.612 1.00 . A A . 1 PHE HE1 1 1 18 4371 1 1 1 PHE HE2 H -12.115 5.971 5.847 1.00 . A A . 1 PHE HE2 1 1 18 4372 1 1 1 PHE HZ H -11.157 3.727 6.228 1.00 . A A . 1 PHE HZ 1 1 18 4373 1 1 1 PHE N N -12.106 6.757 0.794 1.00 . A A . 1 PHE N 1 1 18 4374 1 1 1 PHE O O -11.673 4.004 0.590 1.00 . A A . 1 PHE O 1 1 18 4375 1 1 2 VAL C C -8.347 2.198 0.026 1.00 . A A . 2 VAL C 1 1 18 4376 1 1 2 VAL CA C -9.568 2.784 -0.789 1.00 . A A . 2 VAL CA 1 1 18 4377 1 1 2 VAL CB C -9.538 2.525 -2.329 1.00 . A A . 2 VAL CB 1 1 18 4378 1 1 2 VAL CG1 C -8.203 2.894 -2.997 1.00 . A A . 2 VAL CG1 1 1 18 4379 1 1 2 VAL CG2 C -9.878 1.063 -2.689 1.00 . A A . 2 VAL CG2 1 1 18 4380 1 1 2 VAL H H -8.956 4.875 -0.739 1.00 . A A . 2 VAL H 1 1 18 4381 1 1 2 VAL HA H -10.484 2.270 -0.444 1.00 . A A . 2 VAL HA 1 1 18 4382 1 1 2 VAL HB H -10.330 3.145 -2.796 1.00 . A A . 2 VAL HB 1 1 18 4383 1 1 2 VAL HG11 H -7.832 3.887 -2.683 1.00 . A A . 2 VAL HG11 1 1 18 4384 1 1 2 VAL HG12 H -7.411 2.169 -2.727 1.00 . A A . 2 VAL HG12 1 1 18 4385 1 1 2 VAL HG13 H -8.274 2.903 -4.099 1.00 . A A . 2 VAL HG13 1 1 18 4386 1 1 2 VAL HG21 H -10.875 0.768 -2.311 1.00 . A A . 2 VAL HG21 1 1 18 4387 1 1 2 VAL HG22 H -9.900 0.893 -3.782 1.00 . A A . 2 VAL HG22 1 1 18 4388 1 1 2 VAL HG23 H -9.146 0.345 -2.268 1.00 . A A . 2 VAL HG23 1 1 18 4389 1 1 2 VAL N N -9.733 4.240 -0.530 1.00 . A A . 2 VAL N 1 1 18 4390 1 1 2 VAL O O -7.278 2.827 0.056 1.00 . A A . 2 VAL O 1 1 18 4391 1 1 3 . C C -6.323 -0.301 0.158 1.00 . A A . 3 PH6 C 1 1 18 4392 1 1 3 . C1 C -10.987 -3.560 3.921 1.00 . A A . 3 PH6 C1 1 1 18 4393 1 1 3 . C2 C -12.333 -3.758 3.184 1.00 . A A . 3 PH6 C2 1 1 18 4394 1 1 3 . C3 C -12.812 -2.448 2.513 1.00 . A A . 3 PH6 C3 1 1 18 4395 1 1 3 . C4 C -11.732 -1.904 1.553 1.00 . A A . 3 PH6 C4 1 1 18 4396 1 1 3 . C5 C -10.377 -1.691 2.299 1.00 . A A . 3 PH6 C5 1 1 18 4397 1 1 3 . C6 C -9.913 -3.021 2.955 1.00 . A A . 3 PH6 C6 1 1 18 4398 1 1 3 . CA C -7.270 0.291 1.242 1.00 . A A . 3 PH6 CA 1 1 18 4399 1 1 3 . CB C -7.953 -0.788 2.093 1.00 . A A . 3 PH6 CB 1 1 18 4400 1 1 3 . CD C -9.691 0.254 0.811 1.00 . A A . 3 PH6 CD 1 1 18 4401 1 1 3 . CG C -9.283 -1.100 1.385 1.00 . A A . 3 PH6 CG 1 1 18 4402 1 1 3 . H1 H -11.115 -2.850 4.763 1.00 . A A . 3 PH6 H1 1 1 18 4403 1 1 3 . H21 H -12.217 -4.544 2.413 1.00 . A A . 3 PH6 H21 1 1 18 4404 1 1 3 . H22 H -10.644 -4.507 4.377 1.00 . A A . 3 PH6 H22 1 1 18 4405 1 1 3 . H31 H -13.038 -1.687 3.285 1.00 . A A . 3 PH6 H31 1 1 18 4406 1 1 3 . H32 H -13.101 -4.134 3.884 1.00 . A A . 3 PH6 H32 1 1 18 4407 1 1 3 . H41 H -11.596 -2.600 0.701 1.00 . A A . 3 PH6 H41 1 1 18 4408 1 1 3 . H42 H -13.762 -2.612 1.969 1.00 . A A . 3 PH6 H42 1 1 18 4409 1 1 3 . H51 H -10.555 -0.961 3.115 1.00 . A A . 3 PH6 H51 1 1 18 4410 1 1 3 . H52 H -12.099 -0.963 1.102 1.00 . A A . 3 PH6 H52 1 1 18 4411 1 1 3 . H61 H -8.965 -2.880 3.508 1.00 . A A . 3 PH6 H61 1 1 18 4412 1 1 3 . H62 H -9.690 -3.770 2.172 1.00 . A A . 3 PH6 H62 1 1 18 4413 1 1 3 . HA H -6.697 0.955 1.920 1.00 . A A . 3 PH6 HA 1 1 18 4414 1 1 3 . HB2 H -8.129 -0.410 3.118 1.00 . A A . 3 PH6 HB2 1 1 18 4415 1 1 3 . HB3 H -7.332 -1.700 2.202 1.00 . A A . 3 PH6 HB3 1 1 18 4416 1 1 3 . HD2 H -10.376 0.806 1.486 1.00 . A A . 3 PH6 HD2 1 1 18 4417 1 1 3 . HD3 H -10.224 0.096 -0.144 1.00 . A A . 3 PH6 HD3 1 1 18 4418 1 1 3 . HG2 H -9.083 -1.795 0.541 1.00 . A A . 3 PH6 HG2 1 1 18 4419 1 1 3 . N N -8.436 1.001 0.663 1.00 . A A . 3 PH6 N 1 1 18 4420 1 1 3 . O O -6.490 -1.420 -0.341 1.00 . A A . 3 PH6 O 1 1 18 4421 1 1 4 TRP C C -3.208 -0.857 -0.403 1.00 . A A . 4 TRP C 1 1 18 4422 1 1 4 TRP CA C -4.268 0.017 -1.140 1.00 . A A . 4 TRP CA 1 1 18 4423 1 1 4 TRP CB C -3.664 1.237 -1.867 1.00 . A A . 4 TRP CB 1 1 18 4424 1 1 4 TRP CD1 C -4.995 1.051 -4.118 1.00 . A A . 4 TRP CD1 1 1 18 4425 1 1 4 TRP CD2 C -4.667 3.131 -3.394 1.00 . A A . 4 TRP CD2 1 1 18 4426 1 1 4 TRP CE2 C -5.329 3.156 -4.647 1.00 . A A . 4 TRP CE2 1 1 18 4427 1 1 4 TRP CE3 C -4.363 4.343 -2.722 1.00 . A A . 4 TRP CE3 1 1 18 4428 1 1 4 TRP CG C -4.452 1.806 -3.053 1.00 . A A . 4 TRP CG 1 1 18 4429 1 1 4 TRP CH2 C -5.363 5.572 -4.568 1.00 . A A . 4 TRP CH2 1 1 18 4430 1 1 4 TRP CZ2 C -5.700 4.389 -5.229 1.00 . A A . 4 TRP CZ2 1 1 18 4431 1 1 4 TRP CZ3 C -4.694 5.550 -3.339 1.00 . A A . 4 TRP CZ3 1 1 18 4432 1 1 4 TRP H H -5.364 1.432 0.177 1.00 . A A . 4 TRP H 1 1 18 4433 1 1 4 TRP HA H -4.744 -0.614 -1.921 1.00 . A A . 4 TRP HA 1 1 18 4434 1 1 4 TRP HB2 H -3.412 2.031 -1.138 1.00 . A A . 4 TRP HB2 1 1 18 4435 1 1 4 TRP HB3 H -2.703 0.911 -2.294 1.00 . A A . 4 TRP HB3 1 1 18 4436 1 1 4 TRP HD1 H -4.978 -0.030 -4.172 1.00 . A A . 4 TRP HD1 1 1 18 4437 1 1 4 TRP HE1 H -6.075 1.587 -5.949 1.00 . A A . 4 TRP HE1 1 1 18 4438 1 1 4 TRP HE3 H -3.906 4.339 -1.748 1.00 . A A . 4 TRP HE3 1 1 18 4439 1 1 4 TRP HH2 H -5.630 6.521 -5.014 1.00 . A A . 4 TRP HH2 1 1 18 4440 1 1 4 TRP HZ2 H -6.245 4.409 -6.161 1.00 . A A . 4 TRP HZ2 1 1 18 4441 1 1 4 TRP HZ3 H -4.436 6.484 -2.859 1.00 . A A . 4 TRP HZ3 1 1 18 4442 1 1 4 TRP N N -5.300 0.478 -0.192 1.00 . A A . 4 TRP N 1 1 18 4443 1 1 4 TRP NE1 N -5.559 1.873 -5.107 1.00 . A A . 4 TRP NE1 1 1 18 4444 1 1 4 TRP O O -2.307 -0.361 0.280 1.00 . A A . 4 TRP O 1 1 18 4445 1 1 5 PHE C C -0.947 -3.106 -0.628 1.00 . A A . 5 PHE C 1 1 18 4446 1 1 5 PHE CA C -2.380 -3.178 -0.006 1.00 . A A . 5 PHE CA 1 1 18 4447 1 1 5 PHE CB C -2.955 -4.619 -0.158 1.00 . A A . 5 PHE CB 1 1 18 4448 1 1 5 PHE CD1 C -4.833 -4.735 1.560 1.00 . A A . 5 PHE CD1 1 1 18 4449 1 1 5 PHE CD2 C -5.377 -5.063 -0.772 1.00 . A A . 5 PHE CD2 1 1 18 4450 1 1 5 PHE CE1 C -6.176 -4.869 1.889 1.00 . A A . 5 PHE CE1 1 1 18 4451 1 1 5 PHE CE2 C -6.718 -5.200 -0.441 1.00 . A A . 5 PHE CE2 1 1 18 4452 1 1 5 PHE CG C -4.423 -4.838 0.227 1.00 . A A . 5 PHE CG 1 1 18 4453 1 1 5 PHE CZ C -7.121 -5.108 0.891 1.00 . A A . 5 PHE CZ 1 1 18 4454 1 1 5 PHE H H -4.230 -2.459 -0.985 1.00 . A A . 5 PHE H 1 1 18 4455 1 1 5 PHE HA H -2.283 -2.969 1.080 1.00 . A A . 5 PHE HA 1 1 18 4456 1 1 5 PHE HB2 H -2.801 -4.968 -1.199 1.00 . A A . 5 PHE HB2 1 1 18 4457 1 1 5 PHE HB3 H -2.330 -5.312 0.436 1.00 . A A . 5 PHE HB3 1 1 18 4458 1 1 5 PHE HD1 H -4.107 -4.535 2.336 1.00 . A A . 5 PHE HD1 1 1 18 4459 1 1 5 PHE HD2 H -5.081 -5.122 -1.812 1.00 . A A . 5 PHE HD2 1 1 18 4460 1 1 5 PHE HE1 H -6.489 -4.793 2.921 1.00 . A A . 5 PHE HE1 1 1 18 4461 1 1 5 PHE HE2 H -7.450 -5.381 -1.217 1.00 . A A . 5 PHE HE2 1 1 18 4462 1 1 5 PHE HZ H -8.160 -5.233 1.146 1.00 . A A . 5 PHE HZ 1 1 18 4463 1 1 5 PHE N N -3.324 -2.175 -0.589 1.00 . A A . 5 PHE N 1 1 18 4464 1 1 5 PHE O O 0.050 -2.966 0.083 1.00 . A A . 5 PHE O 1 1 18 4465 1 1 6 SER C C 1.097 -1.507 -2.389 1.00 . A A . 6 SER C 1 1 18 4466 1 1 6 SER CA C 0.335 -2.813 -2.775 1.00 . A A . 6 SER CA 1 1 18 4467 1 1 6 SER CB C 0.008 -2.796 -4.304 1.00 . A A . 6 SER CB 1 1 18 4468 1 1 6 SER H H -1.800 -3.179 -2.424 1.00 . A A . 6 SER H 1 1 18 4469 1 1 6 SER HA H 1.043 -3.647 -2.592 1.00 . A A . 6 SER HA 1 1 18 4470 1 1 6 SER HB2 H 0.183 -1.791 -4.740 1.00 . A A . 6 SER HB2 1 1 18 4471 1 1 6 SER HB3 H 0.736 -3.441 -4.834 1.00 . A A . 6 SER HB3 1 1 18 4472 1 1 6 SER HG H -1.284 -4.049 -5.071 1.00 . A A . 6 SER HG 1 1 18 4473 1 1 6 SER N N -0.880 -3.122 -1.973 1.00 . A A . 6 SER N 1 1 18 4474 1 1 6 SER O O 2.315 -1.535 -2.248 1.00 . A A . 6 SER O 1 1 18 4475 1 1 6 SER OG O -1.328 -3.180 -4.657 1.00 . A A . 6 SER OG 1 1 18 4476 1 1 7 LYS C C 1.778 0.635 -0.195 1.00 . A A . 7 LYS C 1 1 18 4477 1 1 7 LYS CA C 0.981 0.826 -1.526 1.00 . A A . 7 LYS CA 1 1 18 4478 1 1 7 LYS CB C -0.157 1.841 -1.260 1.00 . A A . 7 LYS CB 1 1 18 4479 1 1 7 LYS CD C -1.021 4.140 -1.936 1.00 . A A . 7 LYS CD 1 1 18 4480 1 1 7 LYS CE C 0.080 5.054 -1.350 1.00 . A A . 7 LYS CE 1 1 18 4481 1 1 7 LYS CG C -0.509 2.776 -2.436 1.00 . A A . 7 LYS CG 1 1 18 4482 1 1 7 LYS H H -0.619 -0.567 -2.199 1.00 . A A . 7 LYS H 1 1 18 4483 1 1 7 LYS HA H 1.708 1.262 -2.240 1.00 . A A . 7 LYS HA 1 1 18 4484 1 1 7 LYS HB2 H -1.054 1.328 -0.872 1.00 . A A . 7 LYS HB2 1 1 18 4485 1 1 7 LYS HB3 H 0.124 2.450 -0.387 1.00 . A A . 7 LYS HB3 1 1 18 4486 1 1 7 LYS HD2 H -1.497 4.649 -2.800 1.00 . A A . 7 LYS HD2 1 1 18 4487 1 1 7 LYS HD3 H -1.857 3.980 -1.226 1.00 . A A . 7 LYS HD3 1 1 18 4488 1 1 7 LYS HE2 H 1.078 4.751 -1.750 1.00 . A A . 7 LYS HE2 1 1 18 4489 1 1 7 LYS HE3 H -0.060 6.089 -1.737 1.00 . A A . 7 LYS HE3 1 1 18 4490 1 1 7 LYS HG2 H 0.353 2.915 -3.119 1.00 . A A . 7 LYS HG2 1 1 18 4491 1 1 7 LYS HG3 H -1.265 2.294 -3.089 1.00 . A A . 7 LYS HG3 1 1 18 4492 1 1 7 LYS HZ1 H 0.788 5.583 0.598 1.00 . A A . 7 LYS HZ1 1 1 18 4493 1 1 7 LYS HZ2 H -0.838 5.353 0.539 1.00 . A A . 7 LYS HZ2 1 1 18 4494 1 1 7 LYS HZ3 H 0.165 4.070 0.525 1.00 . A A . 7 LYS HZ3 1 1 18 4495 1 1 7 LYS N N 0.389 -0.382 -2.170 1.00 . A A . 7 LYS N 1 1 18 4496 1 1 7 LYS NZ N 0.054 5.022 0.146 1.00 . A A . 7 LYS NZ 1 1 18 4497 1 1 7 LYS O O 2.793 1.308 0.009 1.00 . A A . 7 LYS O 1 1 18 4498 1 1 8 PHE C C 3.361 -1.416 1.559 1.00 . A A . 8 PHE C 1 1 18 4499 1 1 8 PHE CA C 2.044 -0.663 1.898 1.00 . A A . 8 PHE CA 1 1 18 4500 1 1 8 PHE CB C 1.122 -1.515 2.826 1.00 . A A . 8 PHE CB 1 1 18 4501 1 1 8 PHE CD1 C 2.247 -0.753 4.985 1.00 . A A . 8 PHE CD1 1 1 18 4502 1 1 8 PHE CD2 C -0.167 -0.765 4.857 1.00 . A A . 8 PHE CD2 1 1 18 4503 1 1 8 PHE CE1 C 2.179 -0.228 6.268 1.00 . A A . 8 PHE CE1 1 1 18 4504 1 1 8 PHE CE2 C -0.233 -0.260 6.149 1.00 . A A . 8 PHE CE2 1 1 18 4505 1 1 8 PHE CG C 1.073 -1.006 4.262 1.00 . A A . 8 PHE CG 1 1 18 4506 1 1 8 PHE CZ C 0.938 0.015 6.854 1.00 . A A . 8 PHE CZ 1 1 18 4507 1 1 8 PHE H H 0.503 -0.787 0.352 1.00 . A A . 8 PHE H 1 1 18 4508 1 1 8 PHE HA H 2.360 0.259 2.429 1.00 . A A . 8 PHE HA 1 1 18 4509 1 1 8 PHE HB2 H 0.101 -1.615 2.407 1.00 . A A . 8 PHE HB2 1 1 18 4510 1 1 8 PHE HB3 H 1.454 -2.572 2.865 1.00 . A A . 8 PHE HB3 1 1 18 4511 1 1 8 PHE HD1 H 3.217 -0.936 4.540 1.00 . A A . 8 PHE HD1 1 1 18 4512 1 1 8 PHE HD2 H -1.079 -0.977 4.317 1.00 . A A . 8 PHE HD2 1 1 18 4513 1 1 8 PHE HE1 H 3.091 -0.015 6.808 1.00 . A A . 8 PHE HE1 1 1 18 4514 1 1 8 PHE HE2 H -1.198 -0.093 6.608 1.00 . A A . 8 PHE HE2 1 1 18 4515 1 1 8 PHE HZ H 0.886 0.405 7.858 1.00 . A A . 8 PHE HZ 1 1 18 4516 1 1 8 PHE N N 1.276 -0.214 0.714 1.00 . A A . 8 PHE N 1 1 18 4517 1 1 8 PHE O O 4.440 -0.919 1.888 1.00 . A A . 8 PHE O 1 1 18 4518 1 1 9 LEU C C 5.440 -2.372 -0.511 1.00 . A A . 9 LEU C 1 1 18 4519 1 1 9 LEU CA C 4.438 -3.262 0.285 1.00 . A A . 9 LEU CA 1 1 18 4520 1 1 9 LEU CB C 3.957 -4.490 -0.549 1.00 . A A . 9 LEU CB 1 1 18 4521 1 1 9 LEU CD1 C 3.431 -6.254 1.200 1.00 . A A . 9 LEU CD1 1 1 18 4522 1 1 9 LEU CD2 C 4.395 -6.949 -1.030 1.00 . A A . 9 LEU CD2 1 1 18 4523 1 1 9 LEU CG C 4.373 -5.854 0.049 1.00 . A A . 9 LEU CG 1 1 18 4524 1 1 9 LEU H H 2.302 -2.768 0.541 1.00 . A A . 9 LEU H 1 1 18 4525 1 1 9 LEU HA H 5.017 -3.624 1.160 1.00 . A A . 9 LEU HA 1 1 18 4526 1 1 9 LEU HB2 H 2.865 -4.477 -0.740 1.00 . A A . 9 LEU HB2 1 1 18 4527 1 1 9 LEU HB3 H 4.378 -4.413 -1.571 1.00 . A A . 9 LEU HB3 1 1 18 4528 1 1 9 LEU HD11 H 2.426 -6.537 0.833 1.00 . A A . 9 LEU HD11 1 1 18 4529 1 1 9 LEU HD12 H 3.824 -7.115 1.771 1.00 . A A . 9 LEU HD12 1 1 18 4530 1 1 9 LEU HD13 H 3.283 -5.433 1.926 1.00 . A A . 9 LEU HD13 1 1 18 4531 1 1 9 LEU HD21 H 3.394 -7.372 -1.235 1.00 . A A . 9 LEU HD21 1 1 18 4532 1 1 9 LEU HD22 H 4.792 -6.582 -1.996 1.00 . A A . 9 LEU HD22 1 1 18 4533 1 1 9 LEU HD23 H 5.052 -7.787 -0.733 1.00 . A A . 9 LEU HD23 1 1 18 4534 1 1 9 LEU HG H 5.408 -5.768 0.444 1.00 . A A . 9 LEU HG 1 1 18 4535 1 1 9 LEU N N 3.260 -2.549 0.841 1.00 . A A . 9 LEU N 1 1 18 4536 1 1 9 LEU O O 6.621 -2.409 -0.205 1.00 . A A . 9 LEU O 1 1 18 4537 1 1 10 GLY C C 6.719 0.419 -1.271 1.00 . A A . 10 GLY C 1 1 18 4538 1 1 10 GLY CA C 5.835 -0.516 -2.131 1.00 . A A . 10 GLY CA 1 1 18 4539 1 1 10 GLY H H 3.948 -1.521 -1.497 1.00 . A A . 10 GLY H 1 1 18 4540 1 1 10 GLY HA2 H 6.488 -1.045 -2.850 1.00 . A A . 10 GLY HA2 1 1 18 4541 1 1 10 GLY HA3 H 5.188 0.126 -2.754 1.00 . A A . 10 GLY HA3 1 1 18 4542 1 1 10 GLY N N 4.979 -1.522 -1.441 1.00 . A A . 10 GLY N 1 1 18 4543 1 1 10 GLY O O 7.893 0.607 -1.581 1.00 . A A . 10 GLY O 1 1 18 4544 1 1 11 ARG C C 7.995 0.780 1.666 1.00 . A A . 11 ARG C 1 1 18 4545 1 1 11 ARG CA C 6.990 1.658 0.861 1.00 . A A . 11 ARG CA 1 1 18 4546 1 1 11 ARG CB C 6.034 2.415 1.834 1.00 . A A . 11 ARG CB 1 1 18 4547 1 1 11 ARG CD C 6.789 4.799 1.464 1.00 . A A . 11 ARG CD 1 1 18 4548 1 1 11 ARG CG C 5.608 3.818 1.353 1.00 . A A . 11 ARG CG 1 1 18 4549 1 1 11 ARG CZ C 7.304 7.096 0.653 1.00 . A A . 11 ARG CZ 1 1 18 4550 1 1 11 ARG H H 5.244 0.588 0.023 1.00 . A A . 11 ARG H 1 1 18 4551 1 1 11 ARG HA H 7.645 2.375 0.333 1.00 . A A . 11 ARG HA 1 1 18 4552 1 1 11 ARG HB2 H 5.147 1.785 2.052 1.00 . A A . 11 ARG HB2 1 1 18 4553 1 1 11 ARG HB3 H 6.509 2.519 2.832 1.00 . A A . 11 ARG HB3 1 1 18 4554 1 1 11 ARG HD2 H 7.115 4.876 2.525 1.00 . A A . 11 ARG HD2 1 1 18 4555 1 1 11 ARG HD3 H 7.667 4.391 0.920 1.00 . A A . 11 ARG HD3 1 1 18 4556 1 1 11 ARG HE H 5.457 6.372 0.715 1.00 . A A . 11 ARG HE 1 1 18 4557 1 1 11 ARG HG2 H 5.229 3.742 0.313 1.00 . A A . 11 ARG HG2 1 1 18 4558 1 1 11 ARG HG3 H 4.757 4.162 1.971 1.00 . A A . 11 ARG HG3 1 1 18 4559 1 1 11 ARG HH11 H 9.207 7.753 0.598 1.00 . A A . 11 ARG HH11 1 1 18 4560 1 1 11 ARG HH12 H 8.878 6.060 1.195 1.00 . A A . 11 ARG HH12 1 1 18 4561 1 1 11 ARG HH21 H 7.550 8.939 -0.010 1.00 . A A . 11 ARG HH21 1 1 18 4562 1 1 11 ARG HH22 H 5.848 8.292 0.053 1.00 . A A . 11 ARG HH22 1 1 18 4563 1 1 11 ARG N N 6.168 0.984 -0.186 1.00 . A A . 11 ARG N 1 1 18 4564 1 1 11 ARG NE N 6.428 6.133 0.923 1.00 . A A . 11 ARG NE 1 1 18 4565 1 1 11 ARG NH1 N 8.590 6.975 0.835 1.00 . A A . 11 ARG NH1 1 1 18 4566 1 1 11 ARG NH2 N 6.856 8.215 0.185 1.00 . A A . 11 ARG NH2 1 1 18 4567 1 1 11 ARG O O 9.162 1.155 1.797 1.00 . A A . 11 ARG O 1 1 18 4568 1 1 12 ILE C C 9.509 -2.000 2.008 1.00 . A A . 12 ILE C 1 1 18 4569 1 1 12 ILE CA C 8.411 -1.339 2.922 1.00 . A A . 12 ILE CA 1 1 18 4570 1 1 12 ILE CB C 7.522 -2.408 3.663 1.00 . A A . 12 ILE CB 1 1 18 4571 1 1 12 ILE CD1 C 6.781 -0.966 5.741 1.00 . A A . 12 ILE CD1 1 1 18 4572 1 1 12 ILE CG1 C 6.364 -1.844 4.545 1.00 . A A . 12 ILE CG1 1 1 18 4573 1 1 12 ILE CG2 C 8.373 -3.381 4.521 1.00 . A A . 12 ILE CG2 1 1 18 4574 1 1 12 ILE H H 6.549 -0.547 2.010 1.00 . A A . 12 ILE H 1 1 18 4575 1 1 12 ILE HA H 8.982 -0.792 3.697 1.00 . A A . 12 ILE HA 1 1 18 4576 1 1 12 ILE HB H 7.038 -3.016 2.871 1.00 . A A . 12 ILE HB 1 1 18 4577 1 1 12 ILE HD11 H 7.818 -0.593 5.653 1.00 . A A . 12 ILE HD11 1 1 18 4578 1 1 12 ILE HD12 H 6.131 -0.079 5.847 1.00 . A A . 12 ILE HD12 1 1 18 4579 1 1 12 ILE HD13 H 6.730 -1.535 6.687 1.00 . A A . 12 ILE HD13 1 1 18 4580 1 1 12 ILE HG12 H 5.689 -1.248 3.908 1.00 . A A . 12 ILE HG12 1 1 18 4581 1 1 12 ILE HG13 H 5.714 -2.672 4.889 1.00 . A A . 12 ILE HG13 1 1 18 4582 1 1 12 ILE HG21 H 9.048 -2.830 5.204 1.00 . A A . 12 ILE HG21 1 1 18 4583 1 1 12 ILE HG22 H 7.760 -4.059 5.142 1.00 . A A . 12 ILE HG22 1 1 18 4584 1 1 12 ILE HG23 H 9.020 -4.023 3.894 1.00 . A A . 12 ILE HG23 1 1 18 4585 1 1 12 ILE N N 7.531 -0.341 2.231 1.00 . A A . 12 ILE N 1 1 18 4586 1 1 12 ILE O O 10.612 -2.284 2.480 1.00 . A A . 12 ILE O 1 1 18 4587 1 1 13 LEU C C 11.278 -1.626 -0.672 1.00 . A A . 13 LEU C 1 1 18 4588 1 1 13 LEU CA C 10.187 -2.693 -0.302 1.00 . A A . 13 LEU CA 1 1 18 4589 1 1 13 LEU CB C 9.330 -3.151 -1.525 1.00 . A A . 13 LEU CB 1 1 18 4590 1 1 13 LEU CD1 C 7.676 -4.726 -2.628 1.00 . A A . 13 LEU CD1 1 1 18 4591 1 1 13 LEU CD2 C 9.615 -5.676 -1.302 1.00 . A A . 13 LEU CD2 1 1 18 4592 1 1 13 LEU CG C 8.603 -4.523 -1.416 1.00 . A A . 13 LEU CG 1 1 18 4593 1 1 13 LEU H H 8.263 -1.945 0.451 1.00 . A A . 13 LEU H 1 1 18 4594 1 1 13 LEU HA H 10.725 -3.574 0.096 1.00 . A A . 13 LEU HA 1 1 18 4595 1 1 13 LEU HB2 H 8.600 -2.355 -1.780 1.00 . A A . 13 LEU HB2 1 1 18 4596 1 1 13 LEU HB3 H 9.976 -3.185 -2.422 1.00 . A A . 13 LEU HB3 1 1 18 4597 1 1 13 LEU HD11 H 8.168 -4.467 -3.584 1.00 . A A . 13 LEU HD11 1 1 18 4598 1 1 13 LEU HD12 H 7.322 -5.771 -2.717 1.00 . A A . 13 LEU HD12 1 1 18 4599 1 1 13 LEU HD13 H 6.770 -4.098 -2.547 1.00 . A A . 13 LEU HD13 1 1 18 4600 1 1 13 LEU HD21 H 9.949 -5.799 -0.254 1.00 . A A . 13 LEU HD21 1 1 18 4601 1 1 13 LEU HD22 H 9.201 -6.651 -1.613 1.00 . A A . 13 LEU HD22 1 1 18 4602 1 1 13 LEU HD23 H 10.523 -5.499 -1.909 1.00 . A A . 13 LEU HD23 1 1 18 4603 1 1 13 LEU HG H 7.966 -4.540 -0.508 1.00 . A A . 13 LEU HG 1 1 18 4604 1 1 13 LEU N N 9.220 -2.218 0.717 1.00 . A A . 13 LEU N 1 1 18 4605 1 1 13 LEU O O 11.308 -1.010 -1.734 1.00 . A A . 13 LEU O 1 1 18 4606 1 1 14 NH2 HN1 H 12.789 -0.553 -0.049 1.00 . A A . 14 NH2 HN1 1 1 18 4607 1 1 14 NH2 HN2 H 11.978 -1.682 1.152 1.00 . A A . 14 NH2 HN2 1 1 18 4608 1 1 14 NH2 N N 12.226 -1.366 0.204 1.00 . A A . 14 NH2 N 1 1 19 4609 1 1 1 PHE C C -10.835 4.746 -0.086 1.00 . A A . 1 PHE C 1 1 19 4610 1 1 1 PHE CA C -11.175 5.834 0.980 1.00 . A A . 1 PHE CA 1 1 19 4611 1 1 1 PHE CB C -10.484 5.570 2.354 1.00 . A A . 1 PHE CB 1 1 19 4612 1 1 1 PHE CD1 C -9.924 3.130 2.905 1.00 . A A . 1 PHE CD1 1 1 19 4613 1 1 1 PHE CD2 C -11.985 4.059 3.752 1.00 . A A . 1 PHE CD2 1 1 19 4614 1 1 1 PHE CE1 C -10.258 1.895 3.449 1.00 . A A . 1 PHE CE1 1 1 19 4615 1 1 1 PHE CE2 C -12.322 2.823 4.288 1.00 . A A . 1 PHE CE2 1 1 19 4616 1 1 1 PHE CG C -10.792 4.223 3.042 1.00 . A A . 1 PHE CG 1 1 19 4617 1 1 1 PHE CZ C -11.458 1.739 4.140 1.00 . A A . 1 PHE CZ 1 1 19 4618 1 1 1 PHE H1 H -12.919 6.725 1.812 1.00 . A A . 1 PHE H1 1 1 19 4619 1 1 1 PHE H2 H -13.136 6.139 0.265 1.00 . A A . 1 PHE H2 1 1 19 4620 1 1 1 PHE H3 H -13.031 5.099 1.514 1.00 . A A . 1 PHE H3 1 1 19 4621 1 1 1 PHE HA H -10.780 6.793 0.585 1.00 . A A . 1 PHE HA 1 1 19 4622 1 1 1 PHE HB2 H -9.387 5.644 2.206 1.00 . A A . 1 PHE HB2 1 1 19 4623 1 1 1 PHE HB3 H -10.690 6.401 3.055 1.00 . A A . 1 PHE HB3 1 1 19 4624 1 1 1 PHE HD1 H -8.994 3.226 2.362 1.00 . A A . 1 PHE HD1 1 1 19 4625 1 1 1 PHE HD2 H -12.669 4.886 3.884 1.00 . A A . 1 PHE HD2 1 1 19 4626 1 1 1 PHE HE1 H -9.590 1.050 3.337 1.00 . A A . 1 PHE HE1 1 1 19 4627 1 1 1 PHE HE2 H -13.255 2.697 4.820 1.00 . A A . 1 PHE HE2 1 1 19 4628 1 1 1 PHE HZ H -11.719 0.781 4.564 1.00 . A A . 1 PHE HZ 1 1 19 4629 1 1 1 PHE N N -12.648 5.986 1.156 1.00 . A A . 1 PHE N 1 1 19 4630 1 1 1 PHE O O -11.643 3.847 -0.338 1.00 . A A . 1 PHE O 1 1 19 4631 1 1 2 VAL C C -8.651 2.460 -0.746 1.00 . A A . 2 VAL C 1 1 19 4632 1 1 2 VAL CA C -9.157 3.714 -1.568 1.00 . A A . 2 VAL CA 1 1 19 4633 1 1 2 VAL CB C -8.122 4.275 -2.596 1.00 . A A . 2 VAL CB 1 1 19 4634 1 1 2 VAL CG1 C -6.716 4.502 -2.012 1.00 . A A . 2 VAL CG1 1 1 19 4635 1 1 2 VAL CG2 C -7.986 3.371 -3.842 1.00 . A A . 2 VAL CG2 1 1 19 4636 1 1 2 VAL H H -8.967 5.495 -0.321 1.00 . A A . 2 VAL H 1 1 19 4637 1 1 2 VAL HA H -10.031 3.418 -2.178 1.00 . A A . 2 VAL HA 1 1 19 4638 1 1 2 VAL HB H -8.497 5.251 -2.963 1.00 . A A . 2 VAL HB 1 1 19 4639 1 1 2 VAL HG11 H -6.185 3.540 -1.869 1.00 . A A . 2 VAL HG11 1 1 19 4640 1 1 2 VAL HG12 H -6.086 5.128 -2.668 1.00 . A A . 2 VAL HG12 1 1 19 4641 1 1 2 VAL HG13 H -6.741 4.983 -1.017 1.00 . A A . 2 VAL HG13 1 1 19 4642 1 1 2 VAL HG21 H -8.953 3.247 -4.366 1.00 . A A . 2 VAL HG21 1 1 19 4643 1 1 2 VAL HG22 H -7.279 3.780 -4.586 1.00 . A A . 2 VAL HG22 1 1 19 4644 1 1 2 VAL HG23 H -7.627 2.354 -3.584 1.00 . A A . 2 VAL HG23 1 1 19 4645 1 1 2 VAL N N -9.635 4.806 -0.680 1.00 . A A . 2 VAL N 1 1 19 4646 1 1 2 VAL O O -7.889 2.640 0.214 1.00 . A A . 2 VAL O 1 1 19 4647 1 1 3 . C C -6.919 -0.254 -0.957 1.00 . A A . 3 PH6 C 1 1 19 4648 1 1 3 . C1 C -13.084 -2.733 -4.570 1.00 . A A . 3 PH6 C1 1 1 19 4649 1 1 3 . C2 C -12.542 -3.353 -3.259 1.00 . A A . 3 PH6 C2 1 1 19 4650 1 1 3 . C3 C -11.164 -2.759 -2.904 1.00 . A A . 3 PH6 C3 1 1 19 4651 1 1 3 . C4 C -11.244 -1.212 -2.786 1.00 . A A . 3 PH6 C4 1 1 19 4652 1 1 3 . C5 C -11.783 -0.598 -4.118 1.00 . A A . 3 PH6 C5 1 1 19 4653 1 1 3 . C6 C -13.162 -1.190 -4.481 1.00 . A A . 3 PH6 C6 1 1 19 4654 1 1 3 . CA C -8.392 -0.021 -0.508 1.00 . A A . 3 PH6 CA 1 1 19 4655 1 1 3 . CB C -9.363 -1.100 -1.001 1.00 . A A . 3 PH6 CB 1 1 19 4656 1 1 3 . CD C -9.983 0.901 -2.149 1.00 . A A . 3 PH6 CD 1 1 19 4657 1 1 3 . CG C -9.892 -0.607 -2.359 1.00 . A A . 3 PH6 CG 1 1 19 4658 1 1 3 . H1 H -12.422 -3.019 -5.411 1.00 . A A . 3 PH6 H1 1 1 19 4659 1 1 3 . H21 H -13.250 -3.161 -2.428 1.00 . A A . 3 PH6 H21 1 1 19 4660 1 1 3 . H22 H -14.076 -3.155 -4.811 1.00 . A A . 3 PH6 H22 1 1 19 4661 1 1 3 . H31 H -10.410 -3.047 -3.663 1.00 . A A . 3 PH6 H31 1 1 19 4662 1 1 3 . H32 H -12.471 -4.453 -3.343 1.00 . A A . 3 PH6 H32 1 1 19 4663 1 1 3 . H41 H -11.978 -0.977 -1.988 1.00 . A A . 3 PH6 H41 1 1 19 4664 1 1 3 . H42 H -10.813 -3.206 -1.956 1.00 . A A . 3 PH6 H42 1 1 19 4665 1 1 3 . H51 H -11.877 0.502 -4.046 1.00 . A A . 3 PH6 H51 1 1 19 4666 1 1 3 . H52 H -11.064 -0.777 -4.941 1.00 . A A . 3 PH6 H52 1 1 19 4667 1 1 3 . H61 H -13.527 -0.761 -5.433 1.00 . A A . 3 PH6 H61 1 1 19 4668 1 1 3 . H62 H -13.906 -0.893 -3.715 1.00 . A A . 3 PH6 H62 1 1 19 4669 1 1 3 . HA H -8.437 0.007 0.600 1.00 . A A . 3 PH6 HA 1 1 19 4670 1 1 3 . HB2 H -10.188 -1.236 -0.276 1.00 . A A . 3 PH6 HB2 1 1 19 4671 1 1 3 . HB3 H -8.875 -2.087 -1.096 1.00 . A A . 3 PH6 HB3 1 1 19 4672 1 1 3 . HD2 H -10.991 1.216 -1.809 1.00 . A A . 3 PH6 HD2 1 1 19 4673 1 1 3 . HD3 H -9.778 1.414 -3.106 1.00 . A A . 3 PH6 HD3 1 1 19 4674 1 1 3 . HG2 H -9.124 -0.812 -3.136 1.00 . A A . 3 PH6 HG2 1 1 19 4675 1 1 3 . N N -8.997 1.197 -1.105 1.00 . A A . 3 PH6 N 1 1 19 4676 1 1 3 . O O -6.604 -0.995 -1.895 1.00 . A A . 3 PH6 O 1 1 19 4677 1 1 4 TRP C C -4.023 -1.092 0.041 1.00 . A A . 4 TRP C 1 1 19 4678 1 1 4 TRP CA C -4.560 0.267 -0.501 1.00 . A A . 4 TRP CA 1 1 19 4679 1 1 4 TRP CB C -3.821 1.466 0.140 1.00 . A A . 4 TRP CB 1 1 19 4680 1 1 4 TRP CD1 C -3.291 2.752 -2.119 1.00 . A A . 4 TRP CD1 1 1 19 4681 1 1 4 TRP CD2 C -3.660 4.030 -0.334 1.00 . A A . 4 TRP CD2 1 1 19 4682 1 1 4 TRP CE2 C -3.406 4.847 -1.467 1.00 . A A . 4 TRP CE2 1 1 19 4683 1 1 4 TRP CE3 C -3.962 4.617 0.922 1.00 . A A . 4 TRP CE3 1 1 19 4684 1 1 4 TRP CG C -3.610 2.710 -0.737 1.00 . A A . 4 TRP CG 1 1 19 4685 1 1 4 TRP CH2 C -3.790 6.814 -0.115 1.00 . A A . 4 TRP CH2 1 1 19 4686 1 1 4 TRP CZ2 C -3.493 6.252 -1.359 1.00 . A A . 4 TRP CZ2 1 1 19 4687 1 1 4 TRP CZ3 C -4.013 6.009 1.009 1.00 . A A . 4 TRP CZ3 1 1 19 4688 1 1 4 TRP H H -6.412 1.134 0.357 1.00 . A A . 4 TRP H 1 1 19 4689 1 1 4 TRP HA H -4.400 0.299 -1.600 1.00 . A A . 4 TRP HA 1 1 19 4690 1 1 4 TRP HB2 H -4.294 1.734 1.105 1.00 . A A . 4 TRP HB2 1 1 19 4691 1 1 4 TRP HB3 H -2.829 1.124 0.455 1.00 . A A . 4 TRP HB3 1 1 19 4692 1 1 4 TRP HD1 H -3.195 1.881 -2.754 1.00 . A A . 4 TRP HD1 1 1 19 4693 1 1 4 TRP HE1 H -3.096 4.387 -3.565 1.00 . A A . 4 TRP HE1 1 1 19 4694 1 1 4 TRP HE3 H -4.179 4.003 1.785 1.00 . A A . 4 TRP HE3 1 1 19 4695 1 1 4 TRP HH2 H -3.871 7.889 -0.025 1.00 . A A . 4 TRP HH2 1 1 19 4696 1 1 4 TRP HZ2 H -3.364 6.876 -2.233 1.00 . A A . 4 TRP HZ2 1 1 19 4697 1 1 4 TRP HZ3 H -4.254 6.470 1.957 1.00 . A A . 4 TRP HZ3 1 1 19 4698 1 1 4 TRP N N -6.005 0.418 -0.256 1.00 . A A . 4 TRP N 1 1 19 4699 1 1 4 TRP NE1 N -3.164 4.073 -2.588 1.00 . A A . 4 TRP NE1 1 1 19 4700 1 1 4 TRP O O -4.072 -1.381 1.239 1.00 . A A . 4 TRP O 1 1 19 4701 1 1 5 PHE C C -1.361 -3.224 -0.659 1.00 . A A . 5 PHE C 1 1 19 4702 1 1 5 PHE CA C -2.912 -3.230 -0.567 1.00 . A A . 5 PHE CA 1 1 19 4703 1 1 5 PHE CB C -3.569 -4.286 -1.504 1.00 . A A . 5 PHE CB 1 1 19 4704 1 1 5 PHE CD1 C -5.861 -4.385 -2.605 1.00 . A A . 5 PHE CD1 1 1 19 4705 1 1 5 PHE CD2 C -5.751 -4.545 -0.197 1.00 . A A . 5 PHE CD2 1 1 19 4706 1 1 5 PHE CE1 C -7.247 -4.481 -2.545 1.00 . A A . 5 PHE CE1 1 1 19 4707 1 1 5 PHE CE2 C -7.136 -4.626 -0.138 1.00 . A A . 5 PHE CE2 1 1 19 4708 1 1 5 PHE CG C -5.100 -4.420 -1.431 1.00 . A A . 5 PHE CG 1 1 19 4709 1 1 5 PHE CZ C -7.885 -4.609 -1.313 1.00 . A A . 5 PHE CZ 1 1 19 4710 1 1 5 PHE H H -3.636 -1.571 -1.837 1.00 . A A . 5 PHE H 1 1 19 4711 1 1 5 PHE HA H -3.145 -3.521 0.477 1.00 . A A . 5 PHE HA 1 1 19 4712 1 1 5 PHE HB2 H -3.254 -4.091 -2.549 1.00 . A A . 5 PHE HB2 1 1 19 4713 1 1 5 PHE HB3 H -3.135 -5.279 -1.281 1.00 . A A . 5 PHE HB3 1 1 19 4714 1 1 5 PHE HD1 H -5.381 -4.279 -3.568 1.00 . A A . 5 PHE HD1 1 1 19 4715 1 1 5 PHE HD2 H -5.185 -4.552 0.724 1.00 . A A . 5 PHE HD2 1 1 19 4716 1 1 5 PHE HE1 H -7.830 -4.453 -3.455 1.00 . A A . 5 PHE HE1 1 1 19 4717 1 1 5 PHE HE2 H -7.628 -4.700 0.821 1.00 . A A . 5 PHE HE2 1 1 19 4718 1 1 5 PHE HZ H -8.959 -4.682 -1.266 1.00 . A A . 5 PHE HZ 1 1 19 4719 1 1 5 PHE N N -3.465 -1.879 -0.876 1.00 . A A . 5 PHE N 1 1 19 4720 1 1 5 PHE O O -0.664 -3.498 0.321 1.00 . A A . 5 PHE O 1 1 19 4721 1 1 6 SER C C 1.173 -1.212 -1.521 1.00 . A A . 6 SER C 1 1 19 4722 1 1 6 SER CA C 0.636 -2.611 -2.019 1.00 . A A . 6 SER CA 1 1 19 4723 1 1 6 SER CB C 0.939 -2.863 -3.527 1.00 . A A . 6 SER CB 1 1 19 4724 1 1 6 SER H H -1.509 -2.546 -2.528 1.00 . A A . 6 SER H 1 1 19 4725 1 1 6 SER HA H 1.184 -3.385 -1.444 1.00 . A A . 6 SER HA 1 1 19 4726 1 1 6 SER HB2 H 0.853 -1.919 -4.100 1.00 . A A . 6 SER HB2 1 1 19 4727 1 1 6 SER HB3 H 1.998 -3.171 -3.625 1.00 . A A . 6 SER HB3 1 1 19 4728 1 1 6 SER HG H 0.192 -3.771 -5.101 1.00 . A A . 6 SER HG 1 1 19 4729 1 1 6 SER N N -0.823 -2.804 -1.814 1.00 . A A . 6 SER N 1 1 19 4730 1 1 6 SER O O 2.159 -0.688 -2.041 1.00 . A A . 6 SER O 1 1 19 4731 1 1 6 SER OG O 0.115 -3.863 -4.145 1.00 . A A . 6 SER OG 1 1 19 4732 1 1 7 LYS C C 2.135 0.471 1.199 1.00 . A A . 7 LYS C 1 1 19 4733 1 1 7 LYS CA C 1.031 0.667 0.120 1.00 . A A . 7 LYS CA 1 1 19 4734 1 1 7 LYS CB C -0.207 1.434 0.662 1.00 . A A . 7 LYS CB 1 1 19 4735 1 1 7 LYS CD C 0.609 3.847 0.362 1.00 . A A . 7 LYS CD 1 1 19 4736 1 1 7 LYS CE C 1.759 4.704 0.908 1.00 . A A . 7 LYS CE 1 1 19 4737 1 1 7 LYS CG C 0.091 2.781 1.360 1.00 . A A . 7 LYS CG 1 1 19 4738 1 1 7 LYS H H -0.227 -1.161 -0.127 1.00 . A A . 7 LYS H 1 1 19 4739 1 1 7 LYS HA H 1.488 1.281 -0.680 1.00 . A A . 7 LYS HA 1 1 19 4740 1 1 7 LYS HB2 H -0.899 1.614 -0.182 1.00 . A A . 7 LYS HB2 1 1 19 4741 1 1 7 LYS HB3 H -0.759 0.784 1.374 1.00 . A A . 7 LYS HB3 1 1 19 4742 1 1 7 LYS HD2 H 0.987 3.361 -0.560 1.00 . A A . 7 LYS HD2 1 1 19 4743 1 1 7 LYS HD3 H -0.243 4.446 -0.025 1.00 . A A . 7 LYS HD3 1 1 19 4744 1 1 7 LYS HE2 H 2.513 4.051 1.413 1.00 . A A . 7 LYS HE2 1 1 19 4745 1 1 7 LYS HE3 H 2.315 5.160 0.055 1.00 . A A . 7 LYS HE3 1 1 19 4746 1 1 7 LYS HG2 H -0.818 3.142 1.883 1.00 . A A . 7 LYS HG2 1 1 19 4747 1 1 7 LYS HG3 H 0.810 2.594 2.187 1.00 . A A . 7 LYS HG3 1 1 19 4748 1 1 7 LYS HZ1 H 1.856 6.365 2.254 1.00 . A A . 7 LYS HZ1 1 1 19 4749 1 1 7 LYS HZ2 H 0.487 6.324 1.331 1.00 . A A . 7 LYS HZ2 1 1 19 4750 1 1 7 LYS HZ3 H 0.645 5.301 2.585 1.00 . A A . 7 LYS HZ3 1 1 19 4751 1 1 7 LYS N N 0.553 -0.600 -0.493 1.00 . A A . 7 LYS N 1 1 19 4752 1 1 7 LYS NZ N 1.178 5.732 1.816 1.00 . A A . 7 LYS NZ 1 1 19 4753 1 1 7 LYS O O 3.191 1.108 1.129 1.00 . A A . 7 LYS O 1 1 19 4754 1 1 8 PHE C C 4.038 -1.613 2.606 1.00 . A A . 8 PHE C 1 1 19 4755 1 1 8 PHE CA C 2.865 -0.793 3.210 1.00 . A A . 8 PHE CA 1 1 19 4756 1 1 8 PHE CB C 2.138 -1.568 4.344 1.00 . A A . 8 PHE CB 1 1 19 4757 1 1 8 PHE CD1 C 2.269 0.083 6.254 1.00 . A A . 8 PHE CD1 1 1 19 4758 1 1 8 PHE CD2 C 0.079 -0.548 5.449 1.00 . A A . 8 PHE CD2 1 1 19 4759 1 1 8 PHE CE1 C 1.686 0.924 7.190 1.00 . A A . 8 PHE CE1 1 1 19 4760 1 1 8 PHE CE2 C -0.504 0.288 6.394 1.00 . A A . 8 PHE CE2 1 1 19 4761 1 1 8 PHE CG C 1.472 -0.659 5.375 1.00 . A A . 8 PHE CG 1 1 19 4762 1 1 8 PHE CZ C 0.296 1.026 7.266 1.00 . A A . 8 PHE CZ 1 1 19 4763 1 1 8 PHE H H 0.981 -0.883 2.080 1.00 . A A . 8 PHE H 1 1 19 4764 1 1 8 PHE HA H 3.341 0.111 3.641 1.00 . A A . 8 PHE HA 1 1 19 4765 1 1 8 PHE HB2 H 1.421 -2.305 3.925 1.00 . A A . 8 PHE HB2 1 1 19 4766 1 1 8 PHE HB3 H 2.862 -2.210 4.886 1.00 . A A . 8 PHE HB3 1 1 19 4767 1 1 8 PHE HD1 H 3.348 -0.001 6.208 1.00 . A A . 8 PHE HD1 1 1 19 4768 1 1 8 PHE HD2 H -0.551 -1.127 4.786 1.00 . A A . 8 PHE HD2 1 1 19 4769 1 1 8 PHE HE1 H 2.311 1.480 7.875 1.00 . A A . 8 PHE HE1 1 1 19 4770 1 1 8 PHE HE2 H -1.582 0.346 6.471 1.00 . A A . 8 PHE HE2 1 1 19 4771 1 1 8 PHE HZ H -0.155 1.653 8.018 1.00 . A A . 8 PHE HZ 1 1 19 4772 1 1 8 PHE N N 1.849 -0.353 2.217 1.00 . A A . 8 PHE N 1 1 19 4773 1 1 8 PHE O O 5.198 -1.270 2.832 1.00 . A A . 8 PHE O 1 1 19 4774 1 1 9 LEU C C 5.475 -2.464 -0.088 1.00 . A A . 9 LEU C 1 1 19 4775 1 1 9 LEU CA C 4.750 -3.334 0.977 1.00 . A A . 9 LEU CA 1 1 19 4776 1 1 9 LEU CB C 4.106 -4.606 0.357 1.00 . A A . 9 LEU CB 1 1 19 4777 1 1 9 LEU CD1 C 3.696 -6.016 2.452 1.00 . A A . 9 LEU CD1 1 1 19 4778 1 1 9 LEU CD2 C 4.141 -7.133 0.210 1.00 . A A . 9 LEU CD2 1 1 19 4779 1 1 9 LEU CG C 4.440 -5.915 1.107 1.00 . A A . 9 LEU CG 1 1 19 4780 1 1 9 LEU H H 2.730 -2.691 1.564 1.00 . A A . 9 LEU H 1 1 19 4781 1 1 9 LEU HA H 5.555 -3.649 1.676 1.00 . A A . 9 LEU HA 1 1 19 4782 1 1 9 LEU HB2 H 3.009 -4.507 0.237 1.00 . A A . 9 LEU HB2 1 1 19 4783 1 1 9 LEU HB3 H 4.468 -4.717 -0.685 1.00 . A A . 9 LEU HB3 1 1 19 4784 1 1 9 LEU HD11 H 2.624 -6.252 2.320 1.00 . A A . 9 LEU HD11 1 1 19 4785 1 1 9 LEU HD12 H 4.133 -6.806 3.090 1.00 . A A . 9 LEU HD12 1 1 19 4786 1 1 9 LEU HD13 H 3.753 -5.082 3.042 1.00 . A A . 9 LEU HD13 1 1 19 4787 1 1 9 LEU HD21 H 5.079 -7.612 -0.125 1.00 . A A . 9 LEU HD21 1 1 19 4788 1 1 9 LEU HD22 H 3.550 -7.918 0.716 1.00 . A A . 9 LEU HD22 1 1 19 4789 1 1 9 LEU HD23 H 3.583 -6.875 -0.711 1.00 . A A . 9 LEU HD23 1 1 19 4790 1 1 9 LEU HG H 5.530 -5.924 1.323 1.00 . A A . 9 LEU HG 1 1 19 4791 1 1 9 LEU N N 3.729 -2.620 1.778 1.00 . A A . 9 LEU N 1 1 19 4792 1 1 9 LEU O O 6.693 -2.530 -0.142 1.00 . A A . 9 LEU O 1 1 19 4793 1 1 10 GLY C C 6.529 0.260 -1.360 1.00 . A A . 10 GLY C 1 1 19 4794 1 1 10 GLY CA C 5.442 -0.717 -1.870 1.00 . A A . 10 GLY CA 1 1 19 4795 1 1 10 GLY H H 3.787 -1.571 -0.648 1.00 . A A . 10 GLY H 1 1 19 4796 1 1 10 GLY HA2 H 5.887 -1.320 -2.682 1.00 . A A . 10 GLY HA2 1 1 19 4797 1 1 10 GLY HA3 H 4.668 -0.112 -2.373 1.00 . A A . 10 GLY HA3 1 1 19 4798 1 1 10 GLY N N 4.782 -1.634 -0.888 1.00 . A A . 10 GLY N 1 1 19 4799 1 1 10 GLY O O 7.563 0.432 -2.003 1.00 . A A . 10 GLY O 1 1 19 4800 1 1 11 ARG C C 8.555 0.827 1.091 1.00 . A A . 11 ARG C 1 1 19 4801 1 1 11 ARG CA C 7.356 1.643 0.529 1.00 . A A . 11 ARG CA 1 1 19 4802 1 1 11 ARG CB C 6.665 2.423 1.678 1.00 . A A . 11 ARG CB 1 1 19 4803 1 1 11 ARG CD C 6.835 4.825 0.866 1.00 . A A . 11 ARG CD 1 1 19 4804 1 1 11 ARG CG C 5.884 3.659 1.213 1.00 . A A . 11 ARG CG 1 1 19 4805 1 1 11 ARG CZ C 5.487 6.811 1.567 1.00 . A A . 11 ARG CZ 1 1 19 4806 1 1 11 ARG H H 5.456 0.526 0.266 1.00 . A A . 11 ARG H 1 1 19 4807 1 1 11 ARG HA H 7.816 2.357 -0.183 1.00 . A A . 11 ARG HA 1 1 19 4808 1 1 11 ARG HB2 H 6.003 1.736 2.246 1.00 . A A . 11 ARG HB2 1 1 19 4809 1 1 11 ARG HB3 H 7.419 2.731 2.434 1.00 . A A . 11 ARG HB3 1 1 19 4810 1 1 11 ARG HD2 H 7.615 4.971 1.648 1.00 . A A . 11 ARG HD2 1 1 19 4811 1 1 11 ARG HD3 H 7.432 4.571 -0.038 1.00 . A A . 11 ARG HD3 1 1 19 4812 1 1 11 ARG HE H 6.050 6.480 -0.320 1.00 . A A . 11 ARG HE 1 1 19 4813 1 1 11 ARG HG2 H 5.247 3.398 0.343 1.00 . A A . 11 ARG HG2 1 1 19 4814 1 1 11 ARG HG3 H 5.179 3.921 2.021 1.00 . A A . 11 ARG HG3 1 1 19 4815 1 1 11 ARG HH11 H 5.108 7.124 3.531 1.00 . A A . 11 ARG HH11 1 1 19 4816 1 1 11 ARG HH12 H 6.064 5.653 3.015 1.00 . A A . 11 ARG HH12 1 1 19 4817 1 1 11 ARG HH21 H 4.528 8.494 1.952 1.00 . A A . 11 ARG HH21 1 1 19 4818 1 1 11 ARG HH22 H 4.978 8.144 0.220 1.00 . A A . 11 ARG HH22 1 1 19 4819 1 1 11 ARG N N 6.300 0.881 -0.198 1.00 . A A . 11 ARG N 1 1 19 4820 1 1 11 ARG NE N 6.064 6.074 0.623 1.00 . A A . 11 ARG NE 1 1 19 4821 1 1 11 ARG NH1 N 5.493 6.487 2.833 1.00 . A A . 11 ARG NH1 1 1 19 4822 1 1 11 ARG NH2 N 4.875 7.889 1.206 1.00 . A A . 11 ARG NH2 1 1 19 4823 1 1 11 ARG O O 9.702 1.153 0.787 1.00 . A A . 11 ARG O 1 1 19 4824 1 1 12 ILE C C 10.111 -1.905 1.302 1.00 . A A . 12 ILE C 1 1 19 4825 1 1 12 ILE CA C 9.333 -1.131 2.435 1.00 . A A . 12 ILE CA 1 1 19 4826 1 1 12 ILE CB C 8.714 -2.101 3.511 1.00 . A A . 12 ILE CB 1 1 19 4827 1 1 12 ILE CD1 C 7.111 -2.349 5.567 1.00 . A A . 12 ILE CD1 1 1 19 4828 1 1 12 ILE CG1 C 7.895 -1.400 4.643 1.00 . A A . 12 ILE CG1 1 1 19 4829 1 1 12 ILE CG2 C 9.818 -2.980 4.162 1.00 . A A . 12 ILE CG2 1 1 19 4830 1 1 12 ILE H H 7.287 -0.391 2.048 1.00 . A A . 12 ILE H 1 1 19 4831 1 1 12 ILE HA H 10.100 -0.519 2.953 1.00 . A A . 12 ILE HA 1 1 19 4832 1 1 12 ILE HB H 8.019 -2.775 2.967 1.00 . A A . 12 ILE HB 1 1 19 4833 1 1 12 ILE HD11 H 6.412 -1.800 6.222 1.00 . A A . 12 ILE HD11 1 1 19 4834 1 1 12 ILE HD12 H 6.519 -3.085 4.992 1.00 . A A . 12 ILE HD12 1 1 19 4835 1 1 12 ILE HD13 H 7.790 -2.918 6.229 1.00 . A A . 12 ILE HD13 1 1 19 4836 1 1 12 ILE HG12 H 8.552 -0.735 5.236 1.00 . A A . 12 ILE HG12 1 1 19 4837 1 1 12 ILE HG13 H 7.152 -0.716 4.197 1.00 . A A . 12 ILE HG13 1 1 19 4838 1 1 12 ILE HG21 H 9.416 -3.716 4.879 1.00 . A A . 12 ILE HG21 1 1 19 4839 1 1 12 ILE HG22 H 10.373 -3.578 3.415 1.00 . A A . 12 ILE HG22 1 1 19 4840 1 1 12 ILE HG23 H 10.569 -2.368 4.696 1.00 . A A . 12 ILE HG23 1 1 19 4841 1 1 12 ILE N N 8.284 -0.188 1.925 1.00 . A A . 12 ILE N 1 1 19 4842 1 1 12 ILE O O 11.305 -2.158 1.461 1.00 . A A . 12 ILE O 1 1 19 4843 1 1 13 LEU C C 11.384 -2.101 -1.533 1.00 . A A . 13 LEU C 1 1 19 4844 1 1 13 LEU CA C 10.081 -2.823 -1.039 1.00 . A A . 13 LEU CA 1 1 19 4845 1 1 13 LEU CB C 8.979 -2.881 -2.158 1.00 . A A . 13 LEU CB 1 1 19 4846 1 1 13 LEU CD1 C 7.137 -4.024 -3.451 1.00 . A A . 13 LEU CD1 1 1 19 4847 1 1 13 LEU CD2 C 9.232 -5.296 -2.871 1.00 . A A . 13 LEU CD2 1 1 19 4848 1 1 13 LEU CG C 8.242 -4.221 -2.395 1.00 . A A . 13 LEU CG 1 1 19 4849 1 1 13 LEU H H 8.457 -1.990 0.190 1.00 . A A . 13 LEU H 1 1 19 4850 1 1 13 LEU HA H 10.391 -3.851 -0.776 1.00 . A A . 13 LEU HA 1 1 19 4851 1 1 13 LEU HB2 H 8.236 -2.075 -2.009 1.00 . A A . 13 LEU HB2 1 1 19 4852 1 1 13 LEU HB3 H 9.424 -2.592 -3.129 1.00 . A A . 13 LEU HB3 1 1 19 4853 1 1 13 LEU HD11 H 7.476 -3.410 -4.308 1.00 . A A . 13 LEU HD11 1 1 19 4854 1 1 13 LEU HD12 H 6.773 -4.980 -3.870 1.00 . A A . 13 LEU HD12 1 1 19 4855 1 1 13 LEU HD13 H 6.255 -3.521 -3.018 1.00 . A A . 13 LEU HD13 1 1 19 4856 1 1 13 LEU HD21 H 9.893 -5.626 -2.048 1.00 . A A . 13 LEU HD21 1 1 19 4857 1 1 13 LEU HD22 H 8.728 -6.204 -3.245 1.00 . A A . 13 LEU HD22 1 1 19 4858 1 1 13 LEU HD23 H 9.891 -4.926 -3.681 1.00 . A A . 13 LEU HD23 1 1 19 4859 1 1 13 LEU HG H 7.767 -4.563 -1.452 1.00 . A A . 13 LEU HG 1 1 19 4860 1 1 13 LEU N N 9.452 -2.252 0.181 1.00 . A A . 13 LEU N 1 1 19 4861 1 1 13 LEU O O 12.489 -2.621 -1.428 1.00 . A A . 13 LEU O 1 1 19 4862 1 1 14 NH2 HN1 H 12.234 -0.482 -2.251 1.00 . A A . 14 NH2 HN1 1 1 19 4863 1 1 14 NH2 HN2 H 10.392 -0.467 -2.080 1.00 . A A . 14 NH2 HN2 1 1 19 4864 1 1 14 NH2 N N 11.319 -0.899 -2.072 1.00 . A A . 14 NH2 N 1 1 20 4865 1 1 1 PHE C C -10.986 4.815 -0.219 1.00 . A A . 1 PHE C 1 1 20 4866 1 1 1 PHE CA C -11.430 5.798 0.905 1.00 . A A . 1 PHE CA 1 1 20 4867 1 1 1 PHE CB C -11.451 5.131 2.313 1.00 . A A . 1 PHE CB 1 1 20 4868 1 1 1 PHE CD1 C -12.157 2.676 2.096 1.00 . A A . 1 PHE CD1 1 1 20 4869 1 1 1 PHE CD2 C -13.709 4.245 3.079 1.00 . A A . 1 PHE CD2 1 1 20 4870 1 1 1 PHE CE1 C -13.114 1.673 2.187 1.00 . A A . 1 PHE CE1 1 1 20 4871 1 1 1 PHE CE2 C -14.661 3.239 3.177 1.00 . A A . 1 PHE CE2 1 1 20 4872 1 1 1 PHE CG C -12.451 3.978 2.527 1.00 . A A . 1 PHE CG 1 1 20 4873 1 1 1 PHE CZ C -14.368 1.952 2.729 1.00 . A A . 1 PHE CZ 1 1 20 4874 1 1 1 PHE H1 H -13.077 7.097 1.254 1.00 . A A . 1 PHE H1 1 1 20 4875 1 1 1 PHE H2 H -12.772 6.816 -0.363 1.00 . A A . 1 PHE H2 1 1 20 4876 1 1 1 PHE H3 H -13.459 5.649 0.551 1.00 . A A . 1 PHE H3 1 1 20 4877 1 1 1 PHE HA H -10.681 6.616 0.942 1.00 . A A . 1 PHE HA 1 1 20 4878 1 1 1 PHE HB2 H -10.434 4.751 2.543 1.00 . A A . 1 PHE HB2 1 1 20 4879 1 1 1 PHE HB3 H -11.601 5.907 3.089 1.00 . A A . 1 PHE HB3 1 1 20 4880 1 1 1 PHE HD1 H -11.198 2.443 1.649 1.00 . A A . 1 PHE HD1 1 1 20 4881 1 1 1 PHE HD2 H -13.959 5.238 3.428 1.00 . A A . 1 PHE HD2 1 1 20 4882 1 1 1 PHE HE1 H -12.895 0.676 1.827 1.00 . A A . 1 PHE HE1 1 1 20 4883 1 1 1 PHE HE2 H -15.635 3.450 3.601 1.00 . A A . 1 PHE HE2 1 1 20 4884 1 1 1 PHE HZ H -15.111 1.173 2.802 1.00 . A A . 1 PHE HZ 1 1 20 4885 1 1 1 PHE N N -12.753 6.400 0.576 1.00 . A A . 1 PHE N 1 1 20 4886 1 1 1 PHE O O -11.821 4.090 -0.767 1.00 . A A . 1 PHE O 1 1 20 4887 1 1 2 VAL C C -8.697 2.447 -0.693 1.00 . A A . 2 VAL C 1 1 20 4888 1 1 2 VAL CA C -9.153 3.744 -1.475 1.00 . A A . 2 VAL CA 1 1 20 4889 1 1 2 VAL CB C -8.071 4.375 -2.406 1.00 . A A . 2 VAL CB 1 1 20 4890 1 1 2 VAL CG1 C -6.710 4.581 -1.722 1.00 . A A . 2 VAL CG1 1 1 20 4891 1 1 2 VAL CG2 C -7.845 3.560 -3.698 1.00 . A A . 2 VAL CG2 1 1 20 4892 1 1 2 VAL H H -9.037 5.319 0.028 1.00 . A A . 2 VAL H 1 1 20 4893 1 1 2 VAL HA H -9.975 3.474 -2.163 1.00 . A A . 2 VAL HA 1 1 20 4894 1 1 2 VAL HB H -8.443 5.368 -2.732 1.00 . A A . 2 VAL HB 1 1 20 4895 1 1 2 VAL HG11 H -6.071 5.293 -2.272 1.00 . A A . 2 VAL HG11 1 1 20 4896 1 1 2 VAL HG12 H -6.806 4.954 -0.685 1.00 . A A . 2 VAL HG12 1 1 20 4897 1 1 2 VAL HG13 H -6.155 3.626 -1.647 1.00 . A A . 2 VAL HG13 1 1 20 4898 1 1 2 VAL HG21 H -7.147 4.058 -4.395 1.00 . A A . 2 VAL HG21 1 1 20 4899 1 1 2 VAL HG22 H -7.428 2.554 -3.491 1.00 . A A . 2 VAL HG22 1 1 20 4900 1 1 2 VAL HG23 H -8.787 3.408 -4.260 1.00 . A A . 2 VAL HG23 1 1 20 4901 1 1 2 VAL N N -9.689 4.775 -0.545 1.00 . A A . 2 VAL N 1 1 20 4902 1 1 2 VAL O O -8.051 2.567 0.358 1.00 . A A . 2 VAL O 1 1 20 4903 1 1 3 . C C -6.888 -0.210 -0.984 1.00 . A A . 3 PH6 C 1 1 20 4904 1 1 3 . C1 C -13.689 -1.447 -2.510 1.00 . A A . 3 PH6 C1 1 1 20 4905 1 1 3 . C2 C -12.348 -0.905 -1.999 1.00 . A A . 3 PH6 C2 1 1 20 4906 1 1 3 . C3 C -11.191 -1.094 -3.040 1.00 . A A . 3 PH6 C3 1 1 20 4907 1 1 3 . C4 C -11.587 -0.481 -4.423 1.00 . A A . 3 PH6 C4 1 1 20 4908 1 1 3 . C5 C -12.951 -1.011 -4.917 1.00 . A A . 3 PH6 C5 1 1 20 4909 1 1 3 . C6 C -14.054 -0.779 -3.855 1.00 . A A . 3 PH6 C6 1 1 20 4910 1 1 3 . CA C -8.388 -0.037 -0.620 1.00 . A A . 3 PH6 CA 1 1 20 4911 1 1 3 . CB C -9.300 -1.109 -1.231 1.00 . A A . 3 PH6 CB 1 1 20 4912 1 1 3 . CD C -9.837 0.979 -2.335 1.00 . A A . 3 PH6 CD 1 1 20 4913 1 1 3 . CG C -9.832 -0.532 -2.554 1.00 . A A . 3 PH6 CG 1 1 20 4914 1 1 3 . H1 H -13.620 -2.546 -2.625 1.00 . A A . 3 PH6 H1 1 1 20 4915 1 1 3 . H21 H -12.488 0.160 -1.742 1.00 . A A . 3 PH6 H21 1 1 20 4916 1 1 3 . H22 H -14.473 -1.267 -1.752 1.00 . A A . 3 PH6 H22 1 1 20 4917 1 1 3 . H31 H -11.049 -2.182 -3.195 1.00 . A A . 3 PH6 H31 1 1 20 4918 1 1 3 . H32 H -12.114 -1.399 -1.040 1.00 . A A . 3 PH6 H32 1 1 20 4919 1 1 3 . H41 H -10.804 -0.683 -5.180 1.00 . A A . 3 PH6 H41 1 1 20 4920 1 1 3 . H42 H -11.644 0.623 -4.358 1.00 . A A . 3 PH6 H42 1 1 20 4921 1 1 3 . H51 H -13.226 -0.526 -5.873 1.00 . A A . 3 PH6 H51 1 1 20 4922 1 1 3 . H52 H -12.864 -2.091 -5.142 1.00 . A A . 3 PH6 H52 1 1 20 4923 1 1 3 . H61 H -15.025 -1.164 -4.214 1.00 . A A . 3 PH6 H61 1 1 20 4924 1 1 3 . H62 H -14.201 0.309 -3.701 1.00 . A A . 3 PH6 H62 1 1 20 4925 1 1 3 . HA H -8.507 -0.075 0.483 1.00 . A A . 3 PH6 HA 1 1 20 4926 1 1 3 . HB2 H -10.097 -1.350 -0.511 1.00 . A A . 3 PH6 HB2 1 1 20 4927 1 1 3 . HB3 H -8.775 -2.058 -1.402 1.00 . A A . 3 PH6 HB3 1 1 20 4928 1 1 3 . HD2 H -10.842 1.382 -2.116 1.00 . A A . 3 PH6 HD2 1 1 20 4929 1 1 3 . HD3 H -9.491 1.484 -3.252 1.00 . A A . 3 PH6 HD3 1 1 20 4930 1 1 3 . HG2 H -9.063 -0.745 -3.328 1.00 . A A . 3 PH6 HG2 1 1 20 4931 1 1 3 . N N -8.965 1.209 -1.182 1.00 . A A . 3 PH6 N 1 1 20 4932 1 1 3 . O O -6.500 -0.842 -1.971 1.00 . A A . 3 PH6 O 1 1 20 4933 1 1 4 TRP C C -4.059 -1.111 0.177 1.00 . A A . 4 TRP C 1 1 20 4934 1 1 4 TRP CA C -4.575 0.276 -0.312 1.00 . A A . 4 TRP CA 1 1 20 4935 1 1 4 TRP CB C -3.897 1.445 0.444 1.00 . A A . 4 TRP CB 1 1 20 4936 1 1 4 TRP CD1 C -3.277 2.867 -1.710 1.00 . A A . 4 TRP CD1 1 1 20 4937 1 1 4 TRP CD2 C -3.781 4.034 0.117 1.00 . A A . 4 TRP CD2 1 1 20 4938 1 1 4 TRP CE2 C -3.474 4.919 -0.950 1.00 . A A . 4 TRP CE2 1 1 20 4939 1 1 4 TRP CE3 C -4.174 4.543 1.382 1.00 . A A . 4 TRP CE3 1 1 20 4940 1 1 4 TRP CG C -3.673 2.741 -0.353 1.00 . A A . 4 TRP CG 1 1 20 4941 1 1 4 TRP CH2 C -3.974 6.799 0.485 1.00 . A A . 4 TRP CH2 1 1 20 4942 1 1 4 TRP CZ2 C -3.591 6.314 -0.768 1.00 . A A . 4 TRP CZ2 1 1 20 4943 1 1 4 TRP CZ3 C -4.255 5.927 1.545 1.00 . A A . 4 TRP CZ3 1 1 20 4944 1 1 4 TRP H H -6.496 1.061 0.478 1.00 . A A . 4 TRP H 1 1 20 4945 1 1 4 TRP HA H -4.344 0.376 -1.394 1.00 . A A . 4 TRP HA 1 1 20 4946 1 1 4 TRP HB2 H -4.440 1.651 1.387 1.00 . A A . 4 TRP HB2 1 1 20 4947 1 1 4 TRP HB3 H -2.915 1.112 0.802 1.00 . A A . 4 TRP HB3 1 1 20 4948 1 1 4 TRP HD1 H -3.120 2.037 -2.386 1.00 . A A . 4 TRP HD1 1 1 20 4949 1 1 4 TRP HE1 H -3.004 4.591 -3.042 1.00 . A A . 4 TRP HE1 1 1 20 4950 1 1 4 TRP HE3 H -4.428 3.878 2.195 1.00 . A A . 4 TRP HE3 1 1 20 4951 1 1 4 TRP HH2 H -4.065 7.866 0.634 1.00 . A A . 4 TRP HH2 1 1 20 4952 1 1 4 TRP HZ2 H -3.408 6.990 -1.591 1.00 . A A . 4 TRP HZ2 1 1 20 4953 1 1 4 TRP HZ3 H -4.553 6.330 2.502 1.00 . A A . 4 TRP HZ3 1 1 20 4954 1 1 4 TRP N N -6.036 0.397 -0.157 1.00 . A A . 4 TRP N 1 1 20 4955 1 1 4 TRP NE1 N -3.154 4.214 -2.097 1.00 . A A . 4 TRP NE1 1 1 20 4956 1 1 4 TRP O O -4.172 -1.470 1.351 1.00 . A A . 4 TRP O 1 1 20 4957 1 1 5 PHE C C -1.370 -3.230 -0.588 1.00 . A A . 5 PHE C 1 1 20 4958 1 1 5 PHE CA C -2.926 -3.222 -0.500 1.00 . A A . 5 PHE CA 1 1 20 4959 1 1 5 PHE CB C -3.583 -4.234 -1.484 1.00 . A A . 5 PHE CB 1 1 20 4960 1 1 5 PHE CD1 C -5.728 -4.867 -0.265 1.00 . A A . 5 PHE CD1 1 1 20 4961 1 1 5 PHE CD2 C -5.899 -3.936 -2.488 1.00 . A A . 5 PHE CD2 1 1 20 4962 1 1 5 PHE CE1 C -7.112 -4.954 -0.196 1.00 . A A . 5 PHE CE1 1 1 20 4963 1 1 5 PHE CE2 C -7.282 -4.039 -2.423 1.00 . A A . 5 PHE CE2 1 1 20 4964 1 1 5 PHE CG C -5.109 -4.358 -1.413 1.00 . A A . 5 PHE CG 1 1 20 4965 1 1 5 PHE CZ C -7.892 -4.552 -1.279 1.00 . A A . 5 PHE CZ 1 1 20 4966 1 1 5 PHE H H -3.594 -1.488 -1.704 1.00 . A A . 5 PHE H 1 1 20 4967 1 1 5 PHE HA H -3.176 -3.553 0.529 1.00 . A A . 5 PHE HA 1 1 20 4968 1 1 5 PHE HB2 H -3.271 -4.005 -2.522 1.00 . A A . 5 PHE HB2 1 1 20 4969 1 1 5 PHE HB3 H -3.155 -5.237 -1.298 1.00 . A A . 5 PHE HB3 1 1 20 4970 1 1 5 PHE HD1 H -5.132 -5.177 0.582 1.00 . A A . 5 PHE HD1 1 1 20 4971 1 1 5 PHE HD2 H -5.444 -3.496 -3.366 1.00 . A A . 5 PHE HD2 1 1 20 4972 1 1 5 PHE HE1 H -7.586 -5.328 0.702 1.00 . A A . 5 PHE HE1 1 1 20 4973 1 1 5 PHE HE2 H -7.887 -3.679 -3.245 1.00 . A A . 5 PHE HE2 1 1 20 4974 1 1 5 PHE HZ H -8.967 -4.603 -1.218 1.00 . A A . 5 PHE HZ 1 1 20 4975 1 1 5 PHE N N -3.454 -1.848 -0.755 1.00 . A A . 5 PHE N 1 1 20 4976 1 1 5 PHE O O -0.674 -3.503 0.392 1.00 . A A . 5 PHE O 1 1 20 4977 1 1 6 SER C C 1.133 -1.147 -1.403 1.00 . A A . 6 SER C 1 1 20 4978 1 1 6 SER CA C 0.624 -2.541 -1.927 1.00 . A A . 6 SER CA 1 1 20 4979 1 1 6 SER CB C 0.874 -2.738 -3.444 1.00 . A A . 6 SER CB 1 1 20 4980 1 1 6 SER H H -1.513 -2.511 -2.437 1.00 . A A . 6 SER H 1 1 20 4981 1 1 6 SER HA H 1.217 -3.310 -1.392 1.00 . A A . 6 SER HA 1 1 20 4982 1 1 6 SER HB2 H 1.938 -2.544 -3.684 1.00 . A A . 6 SER HB2 1 1 20 4983 1 1 6 SER HB3 H 0.714 -3.799 -3.725 1.00 . A A . 6 SER HB3 1 1 20 4984 1 1 6 SER HG H 0.089 -1.007 -3.912 1.00 . A A . 6 SER HG 1 1 20 4985 1 1 6 SER N N -0.824 -2.824 -1.745 1.00 . A A . 6 SER N 1 1 20 4986 1 1 6 SER O O 2.104 -0.595 -1.920 1.00 . A A . 6 SER O 1 1 20 4987 1 1 6 SER OG O 0.039 -1.902 -4.259 1.00 . A A . 6 SER OG 1 1 20 4988 1 1 7 LYS C C 2.149 0.415 1.368 1.00 . A A . 7 LYS C 1 1 20 4989 1 1 7 LYS CA C 1.022 0.658 0.314 1.00 . A A . 7 LYS CA 1 1 20 4990 1 1 7 LYS CB C -0.208 1.399 0.898 1.00 . A A . 7 LYS CB 1 1 20 4991 1 1 7 LYS CD C 0.156 2.853 3.018 1.00 . A A . 7 LYS CD 1 1 20 4992 1 1 7 LYS CE C 1.297 3.747 3.538 1.00 . A A . 7 LYS CE 1 1 20 4993 1 1 7 LYS CG C 0.111 2.803 1.472 1.00 . A A . 7 LYS CG 1 1 20 4994 1 1 7 LYS H H -0.239 -1.168 0.020 1.00 . A A . 7 LYS H 1 1 20 4995 1 1 7 LYS HA H 1.455 1.322 -0.463 1.00 . A A . 7 LYS HA 1 1 20 4996 1 1 7 LYS HB2 H -0.942 1.523 0.080 1.00 . A A . 7 LYS HB2 1 1 20 4997 1 1 7 LYS HB3 H -0.723 0.759 1.646 1.00 . A A . 7 LYS HB3 1 1 20 4998 1 1 7 LYS HD2 H -0.841 3.180 3.380 1.00 . A A . 7 LYS HD2 1 1 20 4999 1 1 7 LYS HD3 H 0.272 1.833 3.432 1.00 . A A . 7 LYS HD3 1 1 20 5000 1 1 7 LYS HE2 H 2.273 3.229 3.366 1.00 . A A . 7 LYS HE2 1 1 20 5001 1 1 7 LYS HE3 H 1.360 4.681 2.931 1.00 . A A . 7 LYS HE3 1 1 20 5002 1 1 7 LYS HG2 H 1.059 3.166 1.022 1.00 . A A . 7 LYS HG2 1 1 20 5003 1 1 7 LYS HG3 H -0.642 3.530 1.102 1.00 . A A . 7 LYS HG3 1 1 20 5004 1 1 7 LYS HZ1 H 1.793 4.660 5.401 1.00 . A A . 7 LYS HZ1 1 1 20 5005 1 1 7 LYS HZ2 H 0.179 4.535 5.145 1.00 . A A . 7 LYS HZ2 1 1 20 5006 1 1 7 LYS HZ3 H 1.036 3.212 5.571 1.00 . A A . 7 LYS HZ3 1 1 20 5007 1 1 7 LYS N N 0.527 -0.585 -0.344 1.00 . A A . 7 LYS N 1 1 20 5008 1 1 7 LYS NZ N 1.075 4.054 4.980 1.00 . A A . 7 LYS NZ 1 1 20 5009 1 1 7 LYS O O 3.189 1.077 1.337 1.00 . A A . 7 LYS O 1 1 20 5010 1 1 8 PHE C C 4.135 -1.768 2.570 1.00 . A A . 8 PHE C 1 1 20 5011 1 1 8 PHE CA C 2.970 -0.996 3.248 1.00 . A A . 8 PHE CA 1 1 20 5012 1 1 8 PHE CB C 2.262 -1.816 4.372 1.00 . A A . 8 PHE CB 1 1 20 5013 1 1 8 PHE CD1 C 2.640 -1.723 6.879 1.00 . A A . 8 PHE CD1 1 1 20 5014 1 1 8 PHE CD2 C 1.668 0.209 5.810 1.00 . A A . 8 PHE CD2 1 1 20 5015 1 1 8 PHE CE1 C 2.596 -1.063 8.101 1.00 . A A . 8 PHE CE1 1 1 20 5016 1 1 8 PHE CE2 C 1.634 0.874 7.029 1.00 . A A . 8 PHE CE2 1 1 20 5017 1 1 8 PHE CG C 2.179 -1.090 5.720 1.00 . A A . 8 PHE CG 1 1 20 5018 1 1 8 PHE CZ C 2.098 0.235 8.178 1.00 . A A . 8 PHE CZ 1 1 20 5019 1 1 8 PHE H H 1.070 -1.054 2.138 1.00 . A A . 8 PHE H 1 1 20 5020 1 1 8 PHE HA H 3.470 -0.113 3.697 1.00 . A A . 8 PHE HA 1 1 20 5021 1 1 8 PHE HB2 H 1.246 -2.152 4.083 1.00 . A A . 8 PHE HB2 1 1 20 5022 1 1 8 PHE HB3 H 2.788 -2.784 4.509 1.00 . A A . 8 PHE HB3 1 1 20 5023 1 1 8 PHE HD1 H 3.033 -2.730 6.833 1.00 . A A . 8 PHE HD1 1 1 20 5024 1 1 8 PHE HD2 H 1.324 0.701 4.916 1.00 . A A . 8 PHE HD2 1 1 20 5025 1 1 8 PHE HE1 H 2.946 -1.565 8.994 1.00 . A A . 8 PHE HE1 1 1 20 5026 1 1 8 PHE HE2 H 1.247 1.876 7.101 1.00 . A A . 8 PHE HE2 1 1 20 5027 1 1 8 PHE HZ H 2.064 0.742 9.130 1.00 . A A . 8 PHE HZ 1 1 20 5028 1 1 8 PHE N N 1.915 -0.500 2.321 1.00 . A A . 8 PHE N 1 1 20 5029 1 1 8 PHE O O 5.297 -1.422 2.780 1.00 . A A . 8 PHE O 1 1 20 5030 1 1 9 LEU C C 5.514 -2.457 -0.189 1.00 . A A . 9 LEU C 1 1 20 5031 1 1 9 LEU CA C 4.827 -3.397 0.842 1.00 . A A . 9 LEU CA 1 1 20 5032 1 1 9 LEU CB C 4.187 -4.633 0.158 1.00 . A A . 9 LEU CB 1 1 20 5033 1 1 9 LEU CD1 C 3.721 -6.118 2.186 1.00 . A A . 9 LEU CD1 1 1 20 5034 1 1 9 LEU CD2 C 4.130 -7.122 -0.110 1.00 . A A . 9 LEU CD2 1 1 20 5035 1 1 9 LEU CG C 4.480 -5.981 0.855 1.00 . A A . 9 LEU CG 1 1 20 5036 1 1 9 LEU H H 2.815 -2.808 1.509 1.00 . A A . 9 LEU H 1 1 20 5037 1 1 9 LEU HA H 5.652 -3.748 1.498 1.00 . A A . 9 LEU HA 1 1 20 5038 1 1 9 LEU HB2 H 3.094 -4.508 0.020 1.00 . A A . 9 LEU HB2 1 1 20 5039 1 1 9 LEU HB3 H 4.563 -4.706 -0.883 1.00 . A A . 9 LEU HB3 1 1 20 5040 1 1 9 LEU HD11 H 2.672 -5.776 2.114 1.00 . A A . 9 LEU HD11 1 1 20 5041 1 1 9 LEU HD12 H 3.698 -7.163 2.549 1.00 . A A . 9 LEU HD12 1 1 20 5042 1 1 9 LEU HD13 H 4.205 -5.523 2.983 1.00 . A A . 9 LEU HD13 1 1 20 5043 1 1 9 LEU HD21 H 3.138 -6.993 -0.582 1.00 . A A . 9 LEU HD21 1 1 20 5044 1 1 9 LEU HD22 H 4.874 -7.183 -0.928 1.00 . A A . 9 LEU HD22 1 1 20 5045 1 1 9 LEU HD23 H 4.134 -8.110 0.386 1.00 . A A . 9 LEU HD23 1 1 20 5046 1 1 9 LEU HG H 5.568 -6.059 1.067 1.00 . A A . 9 LEU HG 1 1 20 5047 1 1 9 LEU N N 3.816 -2.742 1.708 1.00 . A A . 9 LEU N 1 1 20 5048 1 1 9 LEU O O 6.729 -2.522 -0.290 1.00 . A A . 9 LEU O 1 1 20 5049 1 1 10 GLY C C 6.524 0.356 -1.304 1.00 . A A . 10 GLY C 1 1 20 5050 1 1 10 GLY CA C 5.432 -0.599 -1.852 1.00 . A A . 10 GLY CA 1 1 20 5051 1 1 10 GLY H H 3.810 -1.527 -0.644 1.00 . A A . 10 GLY H 1 1 20 5052 1 1 10 GLY HA2 H 5.864 -1.158 -2.703 1.00 . A A . 10 GLY HA2 1 1 20 5053 1 1 10 GLY HA3 H 4.644 0.027 -2.306 1.00 . A A . 10 GLY HA3 1 1 20 5054 1 1 10 GLY N N 4.799 -1.574 -0.910 1.00 . A A . 10 GLY N 1 1 20 5055 1 1 10 GLY O O 7.557 0.553 -1.942 1.00 . A A . 10 GLY O 1 1 20 5056 1 1 11 ARG C C 8.599 0.774 1.111 1.00 . A A . 11 ARG C 1 1 20 5057 1 1 11 ARG CA C 7.375 1.628 0.657 1.00 . A A . 11 ARG CA 1 1 20 5058 1 1 11 ARG CB C 6.697 2.328 1.875 1.00 . A A . 11 ARG CB 1 1 20 5059 1 1 11 ARG CD C 7.495 4.746 1.643 1.00 . A A . 11 ARG CD 1 1 20 5060 1 1 11 ARG CG C 6.284 3.785 1.587 1.00 . A A . 11 ARG CG 1 1 20 5061 1 1 11 ARG CZ C 8.124 6.773 2.968 1.00 . A A . 11 ARG CZ 1 1 20 5062 1 1 11 ARG H H 5.461 0.553 0.337 1.00 . A A . 11 ARG H 1 1 20 5063 1 1 11 ARG HA H 7.814 2.394 -0.015 1.00 . A A . 11 ARG HA 1 1 20 5064 1 1 11 ARG HB2 H 5.834 1.732 2.237 1.00 . A A . 11 ARG HB2 1 1 20 5065 1 1 11 ARG HB3 H 7.375 2.321 2.754 1.00 . A A . 11 ARG HB3 1 1 20 5066 1 1 11 ARG HD2 H 8.453 4.186 1.754 1.00 . A A . 11 ARG HD2 1 1 20 5067 1 1 11 ARG HD3 H 7.591 5.260 0.663 1.00 . A A . 11 ARG HD3 1 1 20 5068 1 1 11 ARG HE H 6.634 5.581 3.485 1.00 . A A . 11 ARG HE 1 1 20 5069 1 1 11 ARG HG2 H 5.814 3.833 0.583 1.00 . A A . 11 ARG HG2 1 1 20 5070 1 1 11 ARG HG3 H 5.468 4.073 2.275 1.00 . A A . 11 ARG HG3 1 1 20 5071 1 1 11 ARG HH11 H 9.700 7.898 2.429 1.00 . A A . 11 ARG HH11 1 1 20 5072 1 1 11 ARG HH12 H 9.304 6.407 1.451 1.00 . A A . 11 ARG HH12 1 1 20 5073 1 1 11 ARG HH21 H 8.479 8.345 4.113 1.00 . A A . 11 ARG HH21 1 1 20 5074 1 1 11 ARG HH22 H 7.078 7.277 4.574 1.00 . A A . 11 ARG HH22 1 1 20 5075 1 1 11 ARG N N 6.307 0.923 -0.109 1.00 . A A . 11 ARG N 1 1 20 5076 1 1 11 ARG NE N 7.346 5.717 2.764 1.00 . A A . 11 ARG NE 1 1 20 5077 1 1 11 ARG NH1 N 9.136 7.077 2.205 1.00 . A A . 11 ARG NH1 1 1 20 5078 1 1 11 ARG NH2 N 7.865 7.539 3.978 1.00 . A A . 11 ARG NH2 1 1 20 5079 1 1 11 ARG O O 9.735 1.118 0.783 1.00 . A A . 11 ARG O 1 1 20 5080 1 1 12 ILE C C 10.172 -1.982 1.116 1.00 . A A . 12 ILE C 1 1 20 5081 1 1 12 ILE CA C 9.430 -1.262 2.308 1.00 . A A . 12 ILE CA 1 1 20 5082 1 1 12 ILE CB C 8.861 -2.292 3.355 1.00 . A A . 12 ILE CB 1 1 20 5083 1 1 12 ILE CD1 C 7.309 -2.694 5.422 1.00 . A A . 12 ILE CD1 1 1 20 5084 1 1 12 ILE CG1 C 8.042 -1.671 4.531 1.00 . A A . 12 ILE CG1 1 1 20 5085 1 1 12 ILE CG2 C 9.978 -3.219 3.926 1.00 . A A . 12 ILE CG2 1 1 20 5086 1 1 12 ILE H H 7.369 -0.512 2.021 1.00 . A A . 12 ILE H 1 1 20 5087 1 1 12 ILE HA H 10.214 -0.676 2.829 1.00 . A A . 12 ILE HA 1 1 20 5088 1 1 12 ILE HB H 8.154 -2.934 2.788 1.00 . A A . 12 ILE HB 1 1 20 5089 1 1 12 ILE HD11 H 7.895 -2.916 6.332 1.00 . A A . 12 ILE HD11 1 1 20 5090 1 1 12 ILE HD12 H 6.317 -2.330 5.745 1.00 . A A . 12 ILE HD12 1 1 20 5091 1 1 12 ILE HD13 H 7.145 -3.659 4.904 1.00 . A A . 12 ILE HD13 1 1 20 5092 1 1 12 ILE HG12 H 8.687 -1.012 5.142 1.00 . A A . 12 ILE HG12 1 1 20 5093 1 1 12 ILE HG13 H 7.272 -0.991 4.127 1.00 . A A . 12 ILE HG13 1 1 20 5094 1 1 12 ILE HG21 H 9.876 -4.248 3.532 1.00 . A A . 12 ILE HG21 1 1 20 5095 1 1 12 ILE HG22 H 11.000 -2.892 3.656 1.00 . A A . 12 ILE HG22 1 1 20 5096 1 1 12 ILE HG23 H 9.980 -3.301 5.028 1.00 . A A . 12 ILE HG23 1 1 20 5097 1 1 12 ILE N N 8.362 -0.298 1.883 1.00 . A A . 12 ILE N 1 1 20 5098 1 1 12 ILE O O 11.372 -2.234 1.220 1.00 . A A . 12 ILE O 1 1 20 5099 1 1 13 LEU C C 11.369 -1.970 -1.756 1.00 . A A . 13 LEU C 1 1 20 5100 1 1 13 LEU CA C 10.088 -2.735 -1.280 1.00 . A A . 13 LEU CA 1 1 20 5101 1 1 13 LEU CB C 8.978 -2.710 -2.390 1.00 . A A . 13 LEU CB 1 1 20 5102 1 1 13 LEU CD1 C 7.030 -3.786 -3.625 1.00 . A A . 13 LEU CD1 1 1 20 5103 1 1 13 LEU CD2 C 9.192 -5.080 -3.290 1.00 . A A . 13 LEU CD2 1 1 20 5104 1 1 13 LEU CG C 8.234 -4.035 -2.682 1.00 . A A . 13 LEU CG 1 1 20 5105 1 1 13 LEU H H 8.485 -2.018 0.047 1.00 . A A . 13 LEU H 1 1 20 5106 1 1 13 LEU HA H 10.409 -3.779 -1.102 1.00 . A A . 13 LEU HA 1 1 20 5107 1 1 13 LEU HB2 H 8.240 -1.917 -2.167 1.00 . A A . 13 LEU HB2 1 1 20 5108 1 1 13 LEU HB3 H 9.403 -2.362 -3.351 1.00 . A A . 13 LEU HB3 1 1 20 5109 1 1 13 LEU HD11 H 6.951 -4.528 -4.443 1.00 . A A . 13 LEU HD11 1 1 20 5110 1 1 13 LEU HD12 H 6.072 -3.824 -3.076 1.00 . A A . 13 LEU HD12 1 1 20 5111 1 1 13 LEU HD13 H 7.069 -2.798 -4.123 1.00 . A A . 13 LEU HD13 1 1 20 5112 1 1 13 LEU HD21 H 10.234 -4.972 -2.936 1.00 . A A . 13 LEU HD21 1 1 20 5113 1 1 13 LEU HD22 H 8.885 -6.108 -3.024 1.00 . A A . 13 LEU HD22 1 1 20 5114 1 1 13 LEU HD23 H 9.247 -5.023 -4.393 1.00 . A A . 13 LEU HD23 1 1 20 5115 1 1 13 LEU HG H 7.846 -4.434 -1.722 1.00 . A A . 13 LEU HG 1 1 20 5116 1 1 13 LEU N N 9.481 -2.272 -0.002 1.00 . A A . 13 LEU N 1 1 20 5117 1 1 13 LEU O O 12.435 -2.546 -1.940 1.00 . A A . 13 LEU O 1 1 20 5118 1 1 14 NH2 HN1 H 12.254 -0.258 -2.061 1.00 . A A . 14 NH2 HN1 1 1 20 5119 1 1 14 NH2 HN2 H 10.468 -0.222 -1.614 1.00 . A A . 14 NH2 HN2 1 1 20 5120 1 1 14 NH2 N N 11.324 -0.667 -1.959 1.00 . A A . 14 NH2 N 1 1 stop_ save_
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