NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
620706 | 2ndc | 26055 | cing | 4-filtered-FRED | STAR | entry | full | 108 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2ndc # This FRED archive file contains, for PDB entry <2ndc>: # # - 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_2ndc _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2ndc _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 2065.51 loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 . 1 $Cathelicidin_5 A . 1 1 stop_ save_ save_Cathelicidin_5 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Cathelicidin 5" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code GGLRSLGRKILRAWKKYG _Entity.Number_of_monomers 18 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 GLY . 1 1 2 GLY . 1 1 3 LEU . 1 1 4 ARG . 1 1 5 SER . 1 1 6 LEU . 1 1 7 GLY . 1 1 8 ARG . 1 1 9 LYS . 1 1 10 ILE . 1 1 11 LEU . 1 1 12 ARG . 1 1 13 ALA . 1 1 14 TRP . 1 1 15 LYS . 1 1 16 LYS . 1 1 17 TYR . 1 1 18 GLY . 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 GLY 1 1 1 1 GLY 2 2 1 1 LEU 3 3 1 1 ARG 4 4 1 1 SER 5 5 1 1 LEU 6 6 1 1 GLY 7 7 1 1 ARG 8 8 1 1 LYS 9 9 1 1 ILE 10 10 1 1 LEU 11 11 1 1 ARG 12 12 1 1 ALA 13 13 1 1 TRP 14 14 1 1 LYS 15 15 1 1 LYS 16 16 1 1 TYR 17 17 1 1 GLY 18 18 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 2 GLY H . 2 . HN 1 1 1 1 2 1 1 4 ARG H . 4 . HN 1 1 2 1 1 1 1 2 GLY H . 2 . HN 1 1 2 1 2 1 1 5 SER H . 5 . HN 1 1 3 1 1 1 1 2 GLY H . 2 . HN 1 1 3 1 2 1 1 6 LEU HA . 6 . HA 1 1 4 1 1 1 1 2 GLY H . 2 . HN 1 1 4 1 2 1 1 9 LYS HA . 9 . HA 1 1 5 1 1 1 1 2 GLY QA . 2 . HA* 1 1 5 1 2 1 1 4 ARG H . 4 . HN 1 1 6 1 1 1 1 2 GLY QA . 2 . HA* 1 1 6 1 2 1 1 5 SER H . 5 . HN 1 1 7 1 1 1 1 3 LEU QB . 3 . HB* 1 1 7 1 2 1 1 4 ARG H . 4 . HN 1 1 8 1 1 1 1 3 LEU QD . 3 . HD* 1 1 8 1 2 1 1 4 ARG HE . 4 . HE 1 1 9 1 1 1 1 3 LEU MD1 . 3 . HD1* 1 1 9 1 2 1 1 4 ARG HE . 4 . HE 1 1 10 1 1 1 1 3 LEU MD2 . 3 . HD2* 1 1 10 1 2 1 1 4 ARG HE . 4 . HE 1 1 11 1 1 1 1 4 ARG HA . 4 . HA 1 1 11 1 2 1 1 4 ARG HE . 4 . HE 1 1 12 1 1 1 1 4 ARG QD . 4 . HD* 1 1 12 1 2 1 1 6 LEU H . 6 . HN 1 1 13 1 1 1 1 5 SER H . 5 . HN 1 1 13 1 2 1 1 6 LEU H . 6 . HN 1 1 14 1 1 1 1 5 SER HA . 5 . HA 1 1 14 1 2 1 1 7 GLY H . 7 . HN 1 1 15 1 1 1 1 5 SER HA . 5 . HA 1 1 15 1 2 1 1 8 ARG QB . 8 . HB* 1 1 16 1 1 1 1 6 LEU H . 6 . HN 1 1 16 1 2 1 1 7 GLY H . 7 . HN 1 1 17 1 1 1 1 6 LEU H . 6 . HN 1 1 17 1 2 1 1 9 LYS H . 9 . HN 1 1 18 1 1 1 1 6 LEU HA . 6 . HA 1 1 18 1 2 1 1 9 LYS H . 9 . HN 1 1 19 1 1 1 1 7 GLY H . 7 . HN 1 1 19 1 2 1 1 9 LYS H . 9 . HN 1 1 20 1 1 1 1 8 ARG H . 8 . HN 1 1 20 1 2 1 1 9 LYS H . 9 . HN 1 1 21 1 1 1 1 8 ARG H . 8 . HN 1 1 21 1 2 1 1 11 LEU H . 11 . HN 1 1 22 1 1 1 1 8 ARG HA . 8 . HA 1 1 22 1 2 1 1 8 ARG HE . 8 . HE 1 1 23 1 1 1 1 8 ARG HA . 8 . HA 1 1 23 1 2 1 1 11 LEU H . 11 . HN 1 1 24 1 1 1 1 9 LYS HA . 9 . HA 1 1 24 1 2 1 1 12 ARG QB . 12 . HB* 1 1 25 1 1 1 1 9 LYS QB . 9 . HB* 1 1 25 1 2 1 1 10 ILE MD . 10 . HD1* 1 1 26 1 1 1 1 9 LYS QB . 9 . HB* 1 1 26 1 2 1 1 10 ILE QG . 10 . HG1* 1 1 27 1 1 1 1 9 LYS QG . 9 . HG* 1 1 27 1 2 1 1 10 ILE MD . 10 . HD1* 1 1 28 1 1 1 1 9 LYS QG . 9 . HG* 1 1 28 1 2 1 1 12 ARG QD . 12 . HD* 1 1 29 1 1 1 1 9 LYS HG2 . 9 . HG2 1 1 29 1 2 1 1 12 ARG QG . 12 . HG* 1 1 30 1 1 1 1 9 LYS HG3 . 9 . HG1 1 1 30 1 2 1 1 12 ARG QG . 12 . HG* 1 1 31 1 1 1 1 10 ILE H . 10 . HN 1 1 31 1 2 1 1 11 LEU H . 11 . HN 1 1 32 1 1 1 1 10 ILE HA . 10 . HA 1 1 32 1 2 1 1 13 ALA H . 13 . HN 1 1 33 1 1 1 1 10 ILE HA . 10 . HA 1 1 33 1 2 1 1 13 ALA MB . 13 . HB* 1 1 34 1 1 1 1 10 ILE HA . 10 . HA 1 1 34 1 2 1 1 14 TRP H . 14 . HN 1 1 35 1 1 1 1 10 ILE HA . 10 . HA 1 1 35 1 2 1 1 14 TRP HZ2 . 14 . HZ2 1 1 36 1 1 1 1 10 ILE HB . 10 . HB 1 1 36 1 2 1 1 11 LEU H . 11 . HN 1 1 37 1 1 1 1 10 ILE MD . 10 . HD1* 1 1 37 1 2 1 1 12 ARG QG . 12 . HG* 1 1 38 1 1 1 1 10 ILE MD . 10 . HD1* 1 1 38 1 2 1 1 14 TRP HH2 . 14 . HH2 1 1 39 1 1 1 1 10 ILE MD . 10 . HD1* 1 1 39 1 2 1 1 16 LYS HA . 16 . HA 1 1 40 1 1 1 1 10 ILE MD . 10 . HD1* 1 1 40 1 2 1 1 16 LYS QE . 16 . HE* 1 1 41 1 1 1 1 12 ARG QG . 12 . HG* 1 1 41 1 2 1 1 14 TRP HA . 14 . HA 1 1 42 1 1 1 1 13 ALA HA . 13 . HA 1 1 42 1 2 1 1 14 TRP HZ2 . 14 . HZ2 1 1 43 1 1 1 1 13 ALA HA . 13 . HA 1 1 43 1 2 1 1 14 TRP HZ3 . 14 . HZ3 1 1 44 1 1 1 1 13 ALA HA . 13 . HA 1 1 44 1 2 1 1 15 LYS H . 15 . HN 1 1 45 1 1 1 1 13 ALA HA . 13 . HA 1 1 45 1 2 1 1 15 LYS QD . 15 . HD* 1 1 46 1 1 1 1 13 ALA HA . 13 . HA 1 1 46 1 2 1 1 16 LYS H . 16 . HN 1 1 47 1 1 1 1 13 ALA HA . 13 . HA 1 1 47 1 2 1 1 16 LYS QD . 16 . HD* 1 1 48 1 1 1 1 13 ALA MB . 13 . HB* 1 1 48 1 2 1 1 17 TYR QE . 17 . HE* 1 1 49 1 1 1 1 14 TRP H . 14 . HN 1 1 49 1 2 1 1 15 LYS H . 15 . HN 1 1 50 1 1 1 1 14 TRP H . 14 . HN 1 1 50 1 2 1 1 16 LYS H . 16 . HN 1 1 51 1 1 1 1 14 TRP QB . 14 . HB* 1 1 51 1 2 1 1 15 LYS H . 15 . HN 1 1 52 1 1 1 1 14 TRP QB . 14 . HB* 1 1 52 1 2 1 1 16 LYS H . 16 . HN 1 1 53 1 1 1 1 14 TRP HD1 . 14 . HD1 1 1 53 1 2 1 1 15 LYS H . 15 . HN 1 1 54 1 1 1 1 14 TRP HH2 . 14 . HH2 1 1 54 1 2 1 1 17 TYR H . 17 . HN 1 1 55 1 1 1 1 14 TRP HZ2 . 14 . HZ2 1 1 55 1 2 1 1 15 LYS H . 15 . HN 1 1 56 1 1 1 1 14 TRP HZ2 . 14 . HZ2 1 1 56 1 2 1 1 16 LYS H . 16 . HN 1 1 57 1 1 1 1 14 TRP HZ3 . 14 . HZ3 1 1 57 1 2 1 1 15 LYS QD . 15 . HD* 1 1 58 1 1 1 1 14 TRP HZ3 . 14 . HZ3 1 1 58 1 2 1 1 15 LYS QE . 15 . HE* 1 1 59 1 1 1 1 15 LYS H . 15 . HN 1 1 59 1 2 1 1 15 LYS HE2 . 15 . HE2 1 1 60 1 1 1 1 15 LYS H . 15 . HN 1 1 60 1 2 1 1 15 LYS HE3 . 15 . HE1 1 1 61 1 1 1 1 15 LYS H . 15 . HN 1 1 61 1 2 1 1 16 LYS H . 16 . HN 1 1 62 1 1 1 1 15 LYS HA . 15 . HA 1 1 62 1 2 1 1 15 LYS HE2 . 15 . HE2 1 1 63 1 1 1 1 15 LYS HA . 15 . HA 1 1 63 1 2 1 1 15 LYS HE3 . 15 . HE1 1 1 64 1 1 1 1 15 LYS HA . 15 . HA 1 1 64 1 2 1 1 16 LYS QB . 16 . HB* 1 1 65 1 1 1 1 15 LYS HA . 15 . HA 1 1 65 1 2 1 1 17 TYR H . 17 . HN 1 1 66 1 1 1 1 15 LYS HA . 15 . HA 1 1 66 1 2 1 1 18 GLY H . 18 . HN 1 1 67 1 1 1 1 15 LYS QB . 15 . HB* 1 1 67 1 2 1 1 16 LYS H . 16 . HN 1 1 68 1 1 1 1 15 LYS QD . 15 . HD* 1 1 68 1 2 1 1 16 LYS HA . 16 . HA 1 1 69 1 1 1 1 15 LYS QD . 15 . HD* 1 1 69 1 2 1 1 17 TYR H . 17 . HN 1 1 70 1 1 1 1 15 LYS QD . 15 . HD* 1 1 70 1 2 1 1 17 TYR QD . 17 . HD* 1 1 71 1 1 1 1 16 LYS H . 16 . HN 1 1 71 1 2 1 1 17 TYR H . 17 . HN 1 1 72 1 1 1 1 16 LYS H . 16 . HN 1 1 72 1 2 1 1 17 TYR QD . 17 . HD* 1 1 73 1 1 1 1 16 LYS H . 16 . HN 1 1 73 1 2 1 1 17 TYR QE . 17 . HE* 1 1 74 1 1 1 1 16 LYS HA . 16 . HA 1 1 74 1 2 1 1 17 TYR QE . 17 . HE* 1 1 75 1 1 1 1 16 LYS QB . 16 . HB* 1 1 75 1 2 1 1 17 TYR H . 17 . HN 1 1 76 1 1 1 1 16 LYS QD . 16 . HD* 1 1 76 1 2 1 1 17 TYR QE . 17 . HE* 1 1 77 1 1 1 1 16 LYS QE . 16 . HE* 1 1 77 1 2 1 1 17 TYR QD . 17 . HD* 1 1 78 1 1 1 1 16 LYS QE . 16 . HE* 1 1 78 1 2 1 1 17 TYR QE . 17 . HE* 1 1 79 1 1 1 1 17 TYR H . 17 . HN 1 1 79 1 2 1 1 17 TYR QE . 17 . HE* 1 1 80 1 1 1 1 17 TYR H . 17 . HN 1 1 80 1 2 1 1 18 GLY H . 18 . HN 1 1 81 1 1 1 1 17 TYR HB2 . 17 . HB2 1 1 81 1 2 1 1 18 GLY H . 18 . HN 1 1 82 1 1 1 1 17 TYR HB3 . 17 . HB1 1 1 82 1 2 1 1 18 GLY H . 18 . HN 1 1 83 1 1 1 1 17 TYR QD . 17 . HD* 1 1 83 1 2 1 1 18 GLY H . 18 . HN 1 1 84 1 1 1 1 17 TYR QE . 17 . HE* 1 1 84 1 2 1 1 18 GLY H . 18 . HN 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 . . . . . 6.5 0.0 6.5 1 1 2 1 . . . . . 6.5 0.0 6.5 1 1 3 1 . . . . . 6.5 0.0 6.5 1 1 4 1 . . . . . 6.5 0.0 6.5 1 1 5 1 . . . . . 6.5 0.0 6.5 1 1 6 1 . . . . . 6.5 0.0 6.5 1 1 7 1 . . . . . 5.5 0.0 5.5 1 1 8 1 . . . . . 6.5 0.0 6.5 1 1 9 1 . . . . . 6.5 0.0 6.5 1 1 10 1 . . . . . 6.5 0.0 6.5 1 1 11 1 . . . . . 6.5 0.0 6.5 1 1 12 1 . . . . . 6.5 0.0 6.5 1 1 13 1 . . . . . 6.5 0.0 6.5 1 1 14 1 . . . . . 6.5 0.0 6.5 1 1 15 1 . . . . . 6.5 0.0 6.5 1 1 16 1 . . . . . 6.5 0.0 6.5 1 1 17 1 . . . . . 6.5 0.0 6.5 1 1 18 1 . . . . . 6.5 0.0 6.5 1 1 19 1 . . . . . 6.5 0.0 6.5 1 1 20 1 . . . . . 6.5 0.0 6.5 1 1 21 1 . . . . . 6.5 0.0 6.5 1 1 22 1 . . . . . 6.5 0.0 6.5 1 1 23 1 . . . . . 6.5 0.0 6.5 1 1 24 1 . . . . . 6.5 0.0 6.5 1 1 25 1 . . . . . 6.5 0.0 6.5 1 1 26 1 . . . . . 6.5 0.0 6.5 1 1 27 1 . . . . . 5.5 0.0 5.5 1 1 28 1 . . . . . 6.5 0.0 6.5 1 1 29 1 . . . . . 6.5 0.0 6.5 1 1 30 1 . . . . . 5.5 0.0 5.5 1 1 31 1 . . . . . 6.5 0.0 6.5 1 1 32 1 . . . . . 6.5 0.0 6.5 1 1 33 1 . . . . . 6.5 0.0 6.5 1 1 34 1 . . . . . 6.5 0.0 6.5 1 1 35 1 . . . . . 6.5 0.0 6.5 1 1 36 1 . . . . . 6.5 0.0 6.5 1 1 37 1 . . . . . 6.5 0.0 6.5 1 1 38 1 . . . . . 6.5 0.0 6.5 1 1 39 1 . . . . . 6.5 0.0 6.5 1 1 40 1 . . . . . 6.5 0.0 6.5 1 1 41 1 . . . . . 6.5 0.0 6.5 1 1 42 1 . . . . . 6.5 0.0 6.5 1 1 43 1 . . . . . 6.5 0.0 6.5 1 1 44 1 . . . . . 6.5 0.0 6.5 1 1 45 1 . . . . . 6.5 0.0 6.5 1 1 46 1 . . . . . 6.5 0.0 6.5 1 1 47 1 . . . . . 6.5 0.0 6.5 1 1 48 1 . . . . . 6.5 0.0 6.5 1 1 49 1 . . . . . 6.5 0.0 6.5 1 1 50 1 . . . . . 6.5 0.0 6.5 1 1 51 1 . . . . . 6.5 0.0 6.5 1 1 52 1 . . . . . 6.5 0.0 6.5 1 1 53 1 . . . . . 6.5 0.0 6.5 1 1 54 1 . . . . . 6.5 0.0 6.5 1 1 55 1 . . . . . 6.5 0.0 6.5 1 1 56 1 . . . . . 6.5 0.0 6.5 1 1 57 1 . . . . . 6.5 0.0 6.5 1 1 58 1 . . . . . 6.5 0.0 6.5 1 1 59 1 . . . . . 6.5 0.0 6.5 1 1 60 1 . . . . . 6.5 0.0 6.5 1 1 61 1 . . . . . 6.5 0.0 6.5 1 1 62 1 . . . . . 6.5 0.0 6.5 1 1 63 1 . . . . . 6.5 0.0 6.5 1 1 64 1 . . . . . 6.5 0.0 6.5 1 1 65 1 . . . . . 6.5 0.0 6.5 1 1 66 1 . . . . . 6.5 0.0 6.5 1 1 67 1 . . . . . 6.5 0.0 6.5 1 1 68 1 . . . . . 6.5 0.0 6.5 1 1 69 1 . . . . . 6.5 0.0 6.5 1 1 70 1 . . . . . 6.5 0.0 6.5 1 1 71 1 . . . . . 6.5 0.0 6.5 1 1 72 1 . . . . . 6.5 0.0 6.5 1 1 73 1 . . . . . 6.5 0.0 6.5 1 1 74 1 . . . . . 6.5 0.0 6.5 1 1 75 1 . . . . . 6.5 0.0 6.5 1 1 76 1 . . . . . 6.5 0.0 6.5 1 1 77 1 . . . . . 6.5 0.0 6.5 1 1 78 1 . . . . . 6.5 0.0 6.5 1 1 79 1 . . . . . 6.5 0.0 6.5 1 1 80 1 . . . . . 6.5 0.0 6.5 1 1 81 1 . . . . . 6.5 0.0 6.5 1 1 82 1 . . . . . 6.5 0.0 6.5 1 1 83 1 . . . . . 6.5 0.0 6.5 1 1 84 1 . . . . . 6.5 0.0 6.5 1 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 2 GLY C 1 1 3 LEU N 1 1 3 LEU CA 1 1 3 LEU C -70.0 -40.0 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1 2 . 1 1 3 LEU N 1 1 3 LEU CA 1 1 3 LEU C 1 1 4 ARG N -60.0 -10.0 . 3 . N . 3 . CA . 3 . C . 4 . N 1 1 3 . 1 1 3 LEU C 1 1 4 ARG N 1 1 4 ARG CA 1 1 4 ARG C -80.0 -40.0 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1 4 . 1 1 4 ARG N 1 1 4 ARG CA 1 1 4 ARG C 1 1 5 SER N -70.0 -20.0 . 4 . N . 4 . CA . 4 . C . 5 . N 1 1 5 . 1 1 4 ARG C 1 1 5 SER N 1 1 5 SER CA 1 1 5 SER C -80.0 -40.0 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1 6 . 1 1 5 SER N 1 1 5 SER CA 1 1 5 SER C 1 1 6 LEU N -70.0 -20.0 . 5 . N . 5 . CA . 5 . C . 6 . N 1 1 7 . 1 1 5 SER C 1 1 6 LEU N 1 1 6 LEU CA 1 1 6 LEU C -89.99999 -40.0 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1 8 . 1 1 6 LEU N 1 1 6 LEU CA 1 1 6 LEU C 1 1 7 GLY N -60.0 -20.0 . 6 . N . 6 . CA . 6 . C . 7 . N 1 1 9 . 1 1 6 LEU C 1 1 7 GLY N 1 1 7 GLY CA 1 1 7 GLY C -89.99999 -40.0 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1 10 . 1 1 7 GLY N 1 1 7 GLY CA 1 1 7 GLY C 1 1 8 ARG N -70.0 -20.0 . 7 . N . 7 . CA . 7 . C . 8 . N 1 1 11 . 1 1 7 GLY C 1 1 8 ARG N 1 1 8 ARG CA 1 1 8 ARG C -89.99999 -40.0 . 7 . C . 8 . N . 8 . CA . 8 . C 1 1 12 . 1 1 8 ARG N 1 1 8 ARG CA 1 1 8 ARG C 1 1 9 LYS N -70.0 -20.0 . 8 . N . 8 . CA . 8 . C . 9 . N 1 1 13 . 1 1 8 ARG C 1 1 9 LYS N 1 1 9 LYS CA 1 1 9 LYS C -89.99999 -40.0 . 8 . C . 9 . N . 9 . CA . 9 . C 1 1 14 . 1 1 9 LYS N 1 1 9 LYS CA 1 1 9 LYS C 1 1 10 ILE N -70.0 -20.0 . 9 . N . 9 . CA . 9 . C . 10 . N 1 1 15 . 1 1 9 LYS C 1 1 10 ILE N 1 1 10 ILE CA 1 1 10 ILE C -89.99999 -40.0 . 9 . C . 10 . N . 10 . CA . 10 . C 1 1 16 . 1 1 10 ILE N 1 1 10 ILE CA 1 1 10 ILE C 1 1 11 LEU N -70.0 -10.0 . 10 . N . 10 . CA . 10 . C . 11 . N 1 1 17 . 1 1 10 ILE C 1 1 11 LEU N 1 1 11 LEU CA 1 1 11 LEU C -89.99999 -50.0 . 10 . C . 11 . N . 11 . CA . 11 . C 1 1 18 . 1 1 11 LEU N 1 1 11 LEU CA 1 1 11 LEU C 1 1 12 ARG N -70.0 -20.0 . 11 . N . 11 . CA . 11 . C . 12 . N 1 1 19 . 1 1 11 LEU C 1 1 12 ARG N 1 1 12 ARG CA 1 1 12 ARG C -89.99999 -40.0 . 11 . C . 12 . N . 12 . CA . 12 . C 1 1 20 . 1 1 12 ARG N 1 1 12 ARG CA 1 1 12 ARG C 1 1 13 ALA N -60.0 -20.0 . 12 . N . 12 . CA . 12 . C . 13 . N 1 1 21 . 1 1 13 ALA C 1 1 14 TRP N 1 1 14 TRP CA 1 1 14 TRP C -89.99999 -40.0 . 13 . C . 14 . N . 14 . CA . 14 . C 1 1 22 . 1 1 14 TRP N 1 1 14 TRP CA 1 1 14 TRP C 1 1 15 LYS N -70.0 -10.0 . 14 . N . 14 . CA . 14 . C . 15 . N 1 1 23 . 1 1 14 TRP C 1 1 15 LYS N 1 1 15 LYS CA 1 1 15 LYS C -120.0 -40.0 . 14 . C . 15 . N . 15 . CA . 15 . C 1 1 24 . 1 1 15 LYS N 1 1 15 LYS CA 1 1 15 LYS C 1 1 16 LYS N -70.0 20.0 . 15 . N . 15 . CA . 15 . C . 16 . N 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 GLY C C -0.572 -0.674 -3.698 1.00 . A A . 1 GLY C 1 1 1 2 1 1 1 GLY CA C -0.322 -0.877 -2.223 1.00 . A A . 1 GLY CA 1 1 1 3 1 1 1 GLY H1 H -0.889 -0.066 -0.390 1.00 . A A . 1 GLY H1 1 1 1 4 1 1 1 GLY H2 H -2.056 0.106 -1.609 1.00 . A A . 1 GLY H2 1 1 1 5 1 1 1 GLY H3 H -0.672 1.087 -1.614 1.00 . A A . 1 GLY H3 1 1 1 6 1 1 1 GLY HA2 H 0.739 -0.803 -2.033 1.00 . A A . 1 GLY HA2 1 1 1 7 1 1 1 GLY HA3 H -0.662 -1.865 -1.940 1.00 . A A . 1 GLY HA3 1 1 1 8 1 1 1 GLY N N -1.033 0.132 -1.403 1.00 . A A . 1 GLY N 1 1 1 9 1 1 1 GLY O O -1.724 -0.631 -4.134 1.00 . A A . 1 GLY O 1 1 1 10 1 1 2 GLY C C 1.471 -0.957 -6.693 1.00 . A A . 2 GLY C 1 1 1 11 1 1 2 GLY CA C 0.373 -0.296 -5.887 1.00 . A A . 2 GLY CA 1 1 1 12 1 1 2 GLY H H 1.398 -0.627 -4.064 1.00 . A A . 2 GLY H 1 1 1 13 1 1 2 GLY HA2 H -0.583 -0.672 -6.225 1.00 . A A . 2 GLY HA2 1 1 1 14 1 1 2 GLY HA3 H 0.408 0.769 -6.059 1.00 . A A . 2 GLY HA3 1 1 1 15 1 1 2 GLY N N 0.501 -0.546 -4.466 1.00 . A A . 2 GLY N 1 1 1 16 1 1 2 GLY O O 1.990 -2.002 -6.301 1.00 . A A . 2 GLY O 1 1 1 17 1 1 3 LEU C C 4.219 -0.905 -8.184 1.00 . A A . 3 LEU C 1 1 1 18 1 1 3 LEU CA C 2.796 -0.910 -8.742 1.00 . A A . 3 LEU CA 1 1 1 19 1 1 3 LEU CB C 2.762 -0.148 -10.069 1.00 . A A . 3 LEU CB 1 1 1 20 1 1 3 LEU CD1 C 1.492 0.650 -12.080 1.00 . A A . 3 LEU CD1 1 1 1 21 1 1 3 LEU CD2 C 1.014 -1.606 -11.124 1.00 . A A . 3 LEU CD2 1 1 1 22 1 1 3 LEU CG C 1.420 -0.175 -10.806 1.00 . A A . 3 LEU CG 1 1 1 23 1 1 3 LEU H H 1.433 0.544 -8.013 1.00 . A A . 3 LEU H 1 1 1 24 1 1 3 LEU HA H 2.503 -1.932 -8.923 1.00 . A A . 3 LEU HA 1 1 1 25 1 1 3 LEU HB2 H 3.020 0.881 -9.872 1.00 . A A . 3 LEU HB2 1 1 1 26 1 1 3 LEU HB3 H 3.514 -0.570 -10.720 1.00 . A A . 3 LEU HB3 1 1 1 27 1 1 3 LEU HD11 H 1.698 1.680 -11.831 1.00 . A A . 3 LEU HD11 1 1 1 28 1 1 3 LEU HD12 H 0.550 0.588 -12.605 1.00 . A A . 3 LEU HD12 1 1 1 29 1 1 3 LEU HD13 H 2.281 0.269 -12.712 1.00 . A A . 3 LEU HD13 1 1 1 30 1 1 3 LEU HD21 H 0.054 -1.605 -11.618 1.00 . A A . 3 LEU HD21 1 1 1 31 1 1 3 LEU HD22 H 0.948 -2.172 -10.207 1.00 . A A . 3 LEU HD22 1 1 1 32 1 1 3 LEU HD23 H 1.753 -2.054 -11.772 1.00 . A A . 3 LEU HD23 1 1 1 33 1 1 3 LEU HG H 0.660 0.256 -10.173 1.00 . A A . 3 LEU HG 1 1 1 34 1 1 3 LEU N N 1.832 -0.334 -7.809 1.00 . A A . 3 LEU N 1 1 1 35 1 1 3 LEU O O 4.837 -1.956 -8.030 1.00 . A A . 3 LEU O 1 1 1 36 1 1 4 ARG C C 6.281 0.062 -5.966 1.00 . A A . 4 ARG C 1 1 1 37 1 1 4 ARG CA C 6.133 0.409 -7.446 1.00 . A A . 4 ARG CA 1 1 1 38 1 1 4 ARG CB C 6.687 1.819 -7.721 1.00 . A A . 4 ARG CB 1 1 1 39 1 1 4 ARG CD C 4.624 3.271 -7.593 1.00 . A A . 4 ARG CD 1 1 1 40 1 1 4 ARG CG C 5.980 2.951 -6.982 1.00 . A A . 4 ARG CG 1 1 1 41 1 1 4 ARG CZ C 3.731 4.003 -9.782 1.00 . A A . 4 ARG CZ 1 1 1 42 1 1 4 ARG H H 4.187 1.083 -7.974 1.00 . A A . 4 ARG H 1 1 1 43 1 1 4 ARG HA H 6.712 -0.303 -8.016 1.00 . A A . 4 ARG HA 1 1 1 44 1 1 4 ARG HB2 H 7.727 1.839 -7.436 1.00 . A A . 4 ARG HB2 1 1 1 45 1 1 4 ARG HB3 H 6.616 2.017 -8.782 1.00 . A A . 4 ARG HB3 1 1 1 46 1 1 4 ARG HD2 H 3.961 2.434 -7.428 1.00 . A A . 4 ARG HD2 1 1 1 47 1 1 4 ARG HD3 H 4.222 4.149 -7.109 1.00 . A A . 4 ARG HD3 1 1 1 48 1 1 4 ARG HE H 5.588 3.328 -9.469 1.00 . A A . 4 ARG HE 1 1 1 49 1 1 4 ARG HG2 H 5.837 2.656 -5.953 1.00 . A A . 4 ARG HG2 1 1 1 50 1 1 4 ARG HG3 H 6.600 3.833 -7.022 1.00 . A A . 4 ARG HG3 1 1 1 51 1 1 4 ARG HH11 H 2.414 4.148 -8.255 1.00 . A A . 4 ARG HH11 1 1 1 52 1 1 4 ARG HH12 H 1.804 4.643 -9.805 1.00 . A A . 4 ARG HH12 1 1 1 53 1 1 4 ARG HH21 H 4.813 3.965 -11.497 1.00 . A A . 4 ARG HH21 1 1 1 54 1 1 4 ARG HH22 H 3.184 4.566 -11.659 1.00 . A A . 4 ARG HH22 1 1 1 55 1 1 4 ARG N N 4.741 0.281 -7.888 1.00 . A A . 4 ARG N 1 1 1 56 1 1 4 ARG NE N 4.723 3.525 -9.032 1.00 . A A . 4 ARG NE 1 1 1 57 1 1 4 ARG NH1 N 2.559 4.288 -9.236 1.00 . A A . 4 ARG NH1 1 1 1 58 1 1 4 ARG NH2 N 3.921 4.190 -11.082 1.00 . A A . 4 ARG NH2 1 1 1 59 1 1 4 ARG O O 7.353 -0.337 -5.516 1.00 . A A . 4 ARG O 1 1 1 60 1 1 5 SER C C 5.059 -1.599 -3.555 1.00 . A A . 5 SER C 1 1 1 61 1 1 5 SER CA C 5.188 -0.097 -3.798 1.00 . A A . 5 SER CA 1 1 1 62 1 1 5 SER CB C 4.058 0.665 -3.113 1.00 . A A . 5 SER CB 1 1 1 63 1 1 5 SER H H 4.367 0.514 -5.639 1.00 . A A . 5 SER H 1 1 1 64 1 1 5 SER HA H 6.132 0.236 -3.389 1.00 . A A . 5 SER HA 1 1 1 65 1 1 5 SER HB2 H 3.844 0.207 -2.157 1.00 . A A . 5 SER HB2 1 1 1 66 1 1 5 SER HB3 H 4.358 1.693 -2.962 1.00 . A A . 5 SER HB3 1 1 1 67 1 1 5 SER HG H 2.417 1.488 -3.806 1.00 . A A . 5 SER HG 1 1 1 68 1 1 5 SER N N 5.196 0.202 -5.221 1.00 . A A . 5 SER N 1 1 1 69 1 1 5 SER O O 5.280 -2.074 -2.443 1.00 . A A . 5 SER O 1 1 1 70 1 1 5 SER OG O 2.887 0.642 -3.906 1.00 . A A . 5 SER OG 1 1 1 71 1 1 6 LEU C C 5.610 -4.483 -3.812 1.00 . A A . 6 LEU C 1 1 1 72 1 1 6 LEU CA C 4.469 -3.777 -4.554 1.00 . A A . 6 LEU CA 1 1 1 73 1 1 6 LEU CB C 4.376 -4.325 -5.979 1.00 . A A . 6 LEU CB 1 1 1 74 1 1 6 LEU CD1 C 2.443 -5.895 -5.715 1.00 . A A . 6 LEU CD1 1 1 1 75 1 1 6 LEU CD2 C 4.137 -6.292 -7.513 1.00 . A A . 6 LEU CD2 1 1 1 76 1 1 6 LEU CG C 3.909 -5.776 -6.101 1.00 . A A . 6 LEU CG 1 1 1 77 1 1 6 LEU H H 4.487 -1.859 -5.451 1.00 . A A . 6 LEU H 1 1 1 78 1 1 6 LEU HA H 3.539 -3.976 -4.040 1.00 . A A . 6 LEU HA 1 1 1 79 1 1 6 LEU HB2 H 3.693 -3.702 -6.536 1.00 . A A . 6 LEU HB2 1 1 1 80 1 1 6 LEU HB3 H 5.354 -4.248 -6.431 1.00 . A A . 6 LEU HB3 1 1 1 81 1 1 6 LEU HD11 H 2.319 -5.596 -4.685 1.00 . A A . 6 LEU HD11 1 1 1 82 1 1 6 LEU HD12 H 2.121 -6.921 -5.834 1.00 . A A . 6 LEU HD12 1 1 1 83 1 1 6 LEU HD13 H 1.849 -5.254 -6.352 1.00 . A A . 6 LEU HD13 1 1 1 84 1 1 6 LEU HD21 H 3.814 -7.320 -7.575 1.00 . A A . 6 LEU HD21 1 1 1 85 1 1 6 LEU HD22 H 5.189 -6.231 -7.752 1.00 . A A . 6 LEU HD22 1 1 1 86 1 1 6 LEU HD23 H 3.574 -5.693 -8.214 1.00 . A A . 6 LEU HD23 1 1 1 87 1 1 6 LEU HG H 4.484 -6.390 -5.422 1.00 . A A . 6 LEU HG 1 1 1 88 1 1 6 LEU N N 4.660 -2.323 -4.604 1.00 . A A . 6 LEU N 1 1 1 89 1 1 6 LEU O O 5.373 -5.402 -3.025 1.00 . A A . 6 LEU O 1 1 1 90 1 1 7 GLY C C 8.015 -4.360 -1.913 1.00 . A A . 7 GLY C 1 1 1 91 1 1 7 GLY CA C 7.991 -4.639 -3.405 1.00 . A A . 7 GLY CA 1 1 1 92 1 1 7 GLY H H 6.970 -3.326 -4.717 1.00 . A A . 7 GLY H 1 1 1 93 1 1 7 GLY HA2 H 7.970 -5.708 -3.558 1.00 . A A . 7 GLY HA2 1 1 1 94 1 1 7 GLY HA3 H 8.892 -4.240 -3.849 1.00 . A A . 7 GLY HA3 1 1 1 95 1 1 7 GLY N N 6.840 -4.050 -4.067 1.00 . A A . 7 GLY N 1 1 1 96 1 1 7 GLY O O 8.273 -5.260 -1.112 1.00 . A A . 7 GLY O 1 1 1 97 1 1 8 ARG C C 6.507 -3.338 0.588 1.00 . A A . 8 ARG C 1 1 1 98 1 1 8 ARG CA C 7.724 -2.749 -0.118 1.00 . A A . 8 ARG CA 1 1 1 99 1 1 8 ARG CB C 7.772 -1.231 0.057 1.00 . A A . 8 ARG CB 1 1 1 100 1 1 8 ARG CD C 9.251 0.812 0.024 1.00 . A A . 8 ARG CD 1 1 1 101 1 1 8 ARG CG C 9.054 -0.611 -0.473 1.00 . A A . 8 ARG CG 1 1 1 102 1 1 8 ARG CZ C 8.150 2.559 -1.329 1.00 . A A . 8 ARG CZ 1 1 1 103 1 1 8 ARG H H 7.525 -2.442 -2.207 1.00 . A A . 8 ARG H 1 1 1 104 1 1 8 ARG HA H 8.610 -3.175 0.330 1.00 . A A . 8 ARG HA 1 1 1 105 1 1 8 ARG HB2 H 6.939 -0.793 -0.471 1.00 . A A . 8 ARG HB2 1 1 1 106 1 1 8 ARG HB3 H 7.690 -0.996 1.107 1.00 . A A . 8 ARG HB3 1 1 1 107 1 1 8 ARG HD2 H 9.354 0.787 1.099 1.00 . A A . 8 ARG HD2 1 1 1 108 1 1 8 ARG HD3 H 10.157 1.207 -0.412 1.00 . A A . 8 ARG HD3 1 1 1 109 1 1 8 ARG HE H 7.338 1.658 0.262 1.00 . A A . 8 ARG HE 1 1 1 110 1 1 8 ARG HG2 H 9.892 -1.210 -0.151 1.00 . A A . 8 ARG HG2 1 1 1 111 1 1 8 ARG HG3 H 9.015 -0.601 -1.554 1.00 . A A . 8 ARG HG3 1 1 1 112 1 1 8 ARG HH11 H 9.942 1.955 -2.062 1.00 . A A . 8 ARG HH11 1 1 1 113 1 1 8 ARG HH12 H 9.182 3.250 -2.938 1.00 . A A . 8 ARG HH12 1 1 1 114 1 1 8 ARG HH21 H 6.349 3.348 -0.852 1.00 . A A . 8 ARG HH21 1 1 1 115 1 1 8 ARG HH22 H 7.121 4.055 -2.245 1.00 . A A . 8 ARG HH22 1 1 1 116 1 1 8 ARG N N 7.733 -3.121 -1.528 1.00 . A A . 8 ARG N 1 1 1 117 1 1 8 ARG NE N 8.136 1.690 -0.321 1.00 . A A . 8 ARG NE 1 1 1 118 1 1 8 ARG NH1 N 9.172 2.591 -2.175 1.00 . A A . 8 ARG NH1 1 1 1 119 1 1 8 ARG NH2 N 7.126 3.385 -1.491 1.00 . A A . 8 ARG NH2 1 1 1 120 1 1 8 ARG O O 6.505 -3.494 1.810 1.00 . A A . 8 ARG O 1 1 1 121 1 1 9 LYS C C 4.833 -5.756 0.904 1.00 . A A . 9 LYS C 1 1 1 122 1 1 9 LYS CA C 4.346 -4.422 0.341 1.00 . A A . 9 LYS CA 1 1 1 123 1 1 9 LYS CB C 3.311 -4.683 -0.750 1.00 . A A . 9 LYS CB 1 1 1 124 1 1 9 LYS CD C 1.371 -6.143 -1.418 1.00 . A A . 9 LYS CD 1 1 1 125 1 1 9 LYS CE C 2.270 -7.107 -2.172 1.00 . A A . 9 LYS CE 1 1 1 126 1 1 9 LYS CG C 2.113 -5.487 -0.265 1.00 . A A . 9 LYS CG 1 1 1 127 1 1 9 LYS H H 5.488 -3.414 -1.133 1.00 . A A . 9 LYS H 1 1 1 128 1 1 9 LYS HA H 3.895 -3.836 1.130 1.00 . A A . 9 LYS HA 1 1 1 129 1 1 9 LYS HB2 H 2.955 -3.737 -1.128 1.00 . A A . 9 LYS HB2 1 1 1 130 1 1 9 LYS HB3 H 3.783 -5.229 -1.554 1.00 . A A . 9 LYS HB3 1 1 1 131 1 1 9 LYS HD2 H 0.524 -6.689 -1.029 1.00 . A A . 9 LYS HD2 1 1 1 132 1 1 9 LYS HD3 H 1.028 -5.378 -2.099 1.00 . A A . 9 LYS HD3 1 1 1 133 1 1 9 LYS HE2 H 3.066 -6.545 -2.638 1.00 . A A . 9 LYS HE2 1 1 1 134 1 1 9 LYS HE3 H 2.691 -7.809 -1.468 1.00 . A A . 9 LYS HE3 1 1 1 135 1 1 9 LYS HG2 H 2.458 -6.256 0.409 1.00 . A A . 9 LYS HG2 1 1 1 136 1 1 9 LYS HG3 H 1.436 -4.826 0.257 1.00 . A A . 9 LYS HG3 1 1 1 137 1 1 9 LYS HZ1 H 0.856 -8.514 -2.779 1.00 . A A . 9 LYS HZ1 1 1 1 138 1 1 9 LYS HZ2 H 2.204 -8.405 -3.804 1.00 . A A . 9 LYS HZ2 1 1 1 139 1 1 9 LYS HZ3 H 1.015 -7.199 -3.833 1.00 . A A . 9 LYS HZ3 1 1 1 140 1 1 9 LYS N N 5.482 -3.679 -0.186 1.00 . A A . 9 LYS N 1 1 1 141 1 1 9 LYS NZ N 1.536 -7.856 -3.219 1.00 . A A . 9 LYS NZ 1 1 1 142 1 1 9 LYS O O 4.394 -6.203 1.964 1.00 . A A . 9 LYS O 1 1 1 143 1 1 10 ILE C C 7.381 -7.331 1.717 1.00 . A A . 10 ILE C 1 1 1 144 1 1 10 ILE CA C 6.370 -7.619 0.612 1.00 . A A . 10 ILE CA 1 1 1 145 1 1 10 ILE CB C 7.084 -8.327 -0.562 1.00 . A A . 10 ILE CB 1 1 1 146 1 1 10 ILE CD1 C 5.001 -9.660 -1.209 1.00 . A A . 10 ILE CD1 1 1 1 147 1 1 10 ILE CG1 C 6.079 -8.696 -1.659 1.00 . A A . 10 ILE CG1 1 1 1 148 1 1 10 ILE CG2 C 7.835 -9.561 -0.078 1.00 . A A . 10 ILE CG2 1 1 1 149 1 1 10 ILE H H 6.013 -5.994 -0.689 1.00 . A A . 10 ILE H 1 1 1 150 1 1 10 ILE HA H 5.597 -8.271 0.992 1.00 . A A . 10 ILE HA 1 1 1 151 1 1 10 ILE HB H 7.809 -7.638 -0.970 1.00 . A A . 10 ILE HB 1 1 1 152 1 1 10 ILE HD11 H 5.461 -10.571 -0.856 1.00 . A A . 10 ILE HD11 1 1 1 153 1 1 10 ILE HD12 H 4.349 -9.884 -2.038 1.00 . A A . 10 ILE HD12 1 1 1 154 1 1 10 ILE HD13 H 4.428 -9.213 -0.411 1.00 . A A . 10 ILE HD13 1 1 1 155 1 1 10 ILE HG12 H 5.590 -7.797 -2.004 1.00 . A A . 10 ILE HG12 1 1 1 156 1 1 10 ILE HG13 H 6.606 -9.150 -2.483 1.00 . A A . 10 ILE HG13 1 1 1 157 1 1 10 ILE HG21 H 8.607 -9.263 0.614 1.00 . A A . 10 ILE HG21 1 1 1 158 1 1 10 ILE HG22 H 8.281 -10.065 -0.921 1.00 . A A . 10 ILE HG22 1 1 1 159 1 1 10 ILE HG23 H 7.148 -10.228 0.417 1.00 . A A . 10 ILE HG23 1 1 1 160 1 1 10 ILE N N 5.748 -6.381 0.174 1.00 . A A . 10 ILE N 1 1 1 161 1 1 10 ILE O O 7.522 -8.103 2.665 1.00 . A A . 10 ILE O 1 1 1 162 1 1 11 LEU C C 8.492 -5.626 3.943 1.00 . A A . 11 LEU C 1 1 1 163 1 1 11 LEU CA C 9.083 -5.782 2.541 1.00 . A A . 11 LEU CA 1 1 1 164 1 1 11 LEU CB C 9.724 -4.470 2.064 1.00 . A A . 11 LEU CB 1 1 1 165 1 1 11 LEU CD1 C 11.825 -3.122 1.900 1.00 . A A . 11 LEU CD1 1 1 1 166 1 1 11 LEU CD2 C 10.650 -3.287 4.093 1.00 . A A . 11 LEU CD2 1 1 1 167 1 1 11 LEU CG C 10.994 -4.021 2.801 1.00 . A A . 11 LEU CG 1 1 1 168 1 1 11 LEU H H 7.874 -5.624 0.816 1.00 . A A . 11 LEU H 1 1 1 169 1 1 11 LEU HA H 9.840 -6.551 2.568 1.00 . A A . 11 LEU HA 1 1 1 170 1 1 11 LEU HB2 H 9.968 -4.578 1.017 1.00 . A A . 11 LEU HB2 1 1 1 171 1 1 11 LEU HB3 H 8.988 -3.686 2.158 1.00 . A A . 11 LEU HB3 1 1 1 172 1 1 11 LEU HD11 H 11.241 -2.261 1.612 1.00 . A A . 11 LEU HD11 1 1 1 173 1 1 11 LEU HD12 H 12.116 -3.671 1.018 1.00 . A A . 11 LEU HD12 1 1 1 174 1 1 11 LEU HD13 H 12.710 -2.798 2.430 1.00 . A A . 11 LEU HD13 1 1 1 175 1 1 11 LEU HD21 H 10.090 -2.392 3.862 1.00 . A A . 11 LEU HD21 1 1 1 176 1 1 11 LEU HD22 H 11.559 -3.021 4.610 1.00 . A A . 11 LEU HD22 1 1 1 177 1 1 11 LEU HD23 H 10.054 -3.931 4.722 1.00 . A A . 11 LEU HD23 1 1 1 178 1 1 11 LEU HG H 11.585 -4.889 3.050 1.00 . A A . 11 LEU HG 1 1 1 179 1 1 11 LEU N N 8.059 -6.198 1.589 1.00 . A A . 11 LEU N 1 1 1 180 1 1 11 LEU O O 9.106 -6.036 4.927 1.00 . A A . 11 LEU O 1 1 1 181 1 1 12 ARG C C 6.231 -6.216 5.921 1.00 . A A . 12 ARG C 1 1 1 182 1 1 12 ARG CA C 6.648 -4.865 5.338 1.00 . A A . 12 ARG CA 1 1 1 183 1 1 12 ARG CB C 5.434 -3.927 5.238 1.00 . A A . 12 ARG CB 1 1 1 184 1 1 12 ARG CD C 3.065 -3.536 4.496 1.00 . A A . 12 ARG CD 1 1 1 185 1 1 12 ARG CG C 4.230 -4.514 4.510 1.00 . A A . 12 ARG CG 1 1 1 186 1 1 12 ARG CZ C 0.615 -3.836 4.384 1.00 . A A . 12 ARG CZ 1 1 1 187 1 1 12 ARG H H 6.855 -4.706 3.225 1.00 . A A . 12 ARG H 1 1 1 188 1 1 12 ARG HA H 7.375 -4.418 6.002 1.00 . A A . 12 ARG HA 1 1 1 189 1 1 12 ARG HB2 H 5.122 -3.664 6.238 1.00 . A A . 12 ARG HB2 1 1 1 190 1 1 12 ARG HB3 H 5.737 -3.028 4.722 1.00 . A A . 12 ARG HB3 1 1 1 191 1 1 12 ARG HD2 H 2.867 -3.222 5.508 1.00 . A A . 12 ARG HD2 1 1 1 192 1 1 12 ARG HD3 H 3.343 -2.676 3.903 1.00 . A A . 12 ARG HD3 1 1 1 193 1 1 12 ARG HE H 1.944 -4.747 3.191 1.00 . A A . 12 ARG HE 1 1 1 194 1 1 12 ARG HG2 H 4.510 -4.740 3.491 1.00 . A A . 12 ARG HG2 1 1 1 195 1 1 12 ARG HG3 H 3.922 -5.419 5.010 1.00 . A A . 12 ARG HG3 1 1 1 196 1 1 12 ARG HH11 H 1.236 -2.545 5.831 1.00 . A A . 12 ARG HH11 1 1 1 197 1 1 12 ARG HH12 H -0.486 -2.783 5.717 1.00 . A A . 12 ARG HH12 1 1 1 198 1 1 12 ARG HH21 H -0.335 -5.039 3.048 1.00 . A A . 12 ARG HH21 1 1 1 199 1 1 12 ARG HH22 H -1.362 -4.185 4.164 1.00 . A A . 12 ARG HH22 1 1 1 200 1 1 12 ARG N N 7.297 -5.041 4.038 1.00 . A A . 12 ARG N 1 1 1 201 1 1 12 ARG NE N 1.844 -4.119 3.939 1.00 . A A . 12 ARG NE 1 1 1 202 1 1 12 ARG NH1 N 0.441 -2.989 5.390 1.00 . A A . 12 ARG NH1 1 1 1 203 1 1 12 ARG NH2 N -0.443 -4.397 3.821 1.00 . A A . 12 ARG NH2 1 1 1 204 1 1 12 ARG O O 6.070 -6.350 7.136 1.00 . A A . 12 ARG O 1 1 1 205 1 1 13 ALA C C 4.558 -8.626 6.378 1.00 . A A . 13 ALA C 1 1 1 206 1 1 13 ALA CA C 5.732 -8.579 5.411 1.00 . A A . 13 ALA CA 1 1 1 207 1 1 13 ALA CB C 6.948 -9.285 5.992 1.00 . A A . 13 ALA CB 1 1 1 208 1 1 13 ALA H H 6.206 -7.006 4.085 1.00 . A A . 13 ALA H 1 1 1 209 1 1 13 ALA HA H 5.442 -9.105 4.505 1.00 . A A . 13 ALA HA 1 1 1 210 1 1 13 ALA HB1 H 7.749 -9.277 5.267 1.00 . A A . 13 ALA HB1 1 1 1 211 1 1 13 ALA HB2 H 6.692 -10.305 6.234 1.00 . A A . 13 ALA HB2 1 1 1 212 1 1 13 ALA HB3 H 7.269 -8.772 6.887 1.00 . A A . 13 ALA HB3 1 1 1 213 1 1 13 ALA N N 6.072 -7.206 5.034 1.00 . A A . 13 ALA N 1 1 1 214 1 1 13 ALA O O 4.677 -9.100 7.507 1.00 . A A . 13 ALA O 1 1 1 215 1 1 14 TRP C C 1.784 -9.594 6.977 1.00 . A A . 14 TRP C 1 1 1 216 1 1 14 TRP CA C 2.199 -8.147 6.684 1.00 . A A . 14 TRP CA 1 1 1 217 1 1 14 TRP CB C 1.098 -7.351 5.951 1.00 . A A . 14 TRP CB 1 1 1 218 1 1 14 TRP CD1 C -0.706 -7.955 4.241 1.00 . A A . 14 TRP CD1 1 1 1 219 1 1 14 TRP CD2 C 1.354 -8.505 3.547 1.00 . A A . 14 TRP CD2 1 1 1 220 1 1 14 TRP CE2 C 0.427 -8.872 2.554 1.00 . A A . 14 TRP CE2 1 1 1 221 1 1 14 TRP CE3 C 2.707 -8.766 3.310 1.00 . A A . 14 TRP CE3 1 1 1 222 1 1 14 TRP CG C 0.599 -7.916 4.635 1.00 . A A . 14 TRP CG 1 1 1 223 1 1 14 TRP CH2 C 2.133 -9.716 1.165 1.00 . A A . 14 TRP CH2 1 1 1 224 1 1 14 TRP CZ2 C 0.809 -9.475 1.361 1.00 . A A . 14 TRP CZ2 1 1 1 225 1 1 14 TRP CZ3 C 3.080 -9.366 2.127 1.00 . A A . 14 TRP CZ3 1 1 1 226 1 1 14 TRP H H 3.424 -7.697 5.033 1.00 . A A . 14 TRP H 1 1 1 227 1 1 14 TRP HA H 2.401 -7.661 7.627 1.00 . A A . 14 TRP HA 1 1 1 228 1 1 14 TRP HB2 H 0.243 -7.271 6.604 1.00 . A A . 14 TRP HB2 1 1 1 229 1 1 14 TRP HB3 H 1.474 -6.357 5.756 1.00 . A A . 14 TRP HB3 1 1 1 230 1 1 14 TRP HD1 H -1.528 -7.585 4.834 1.00 . A A . 14 TRP HD1 1 1 1 231 1 1 14 TRP HE1 H -1.659 -8.663 2.507 1.00 . A A . 14 TRP HE1 1 1 1 232 1 1 14 TRP HE3 H 3.459 -8.504 4.040 1.00 . A A . 14 TRP HE3 1 1 1 233 1 1 14 TRP HH2 H 2.470 -10.185 0.254 1.00 . A A . 14 TRP HH2 1 1 1 234 1 1 14 TRP HZ2 H 0.092 -9.753 0.610 1.00 . A A . 14 TRP HZ2 1 1 1 235 1 1 14 TRP HZ3 H 4.118 -9.579 1.937 1.00 . A A . 14 TRP HZ3 1 1 1 236 1 1 14 TRP N N 3.428 -8.116 5.919 1.00 . A A . 14 TRP N 1 1 1 237 1 1 14 TRP NE1 N -0.815 -8.524 2.999 1.00 . A A . 14 TRP NE1 1 1 1 238 1 1 14 TRP O O 1.575 -9.965 8.130 1.00 . A A . 14 TRP O 1 1 1 239 1 1 15 LYS C C 2.542 -12.643 5.435 1.00 . A A . 15 LYS C 1 1 1 240 1 1 15 LYS CA C 1.419 -11.829 6.078 1.00 . A A . 15 LYS CA 1 1 1 241 1 1 15 LYS CB C 0.054 -12.182 5.472 1.00 . A A . 15 LYS CB 1 1 1 242 1 1 15 LYS CD C 0.176 -13.241 3.200 1.00 . A A . 15 LYS CD 1 1 1 243 1 1 15 LYS CE C -1.026 -14.154 3.327 1.00 . A A . 15 LYS CE 1 1 1 244 1 1 15 LYS CG C -0.037 -11.951 3.971 1.00 . A A . 15 LYS CG 1 1 1 245 1 1 15 LYS H H 1.773 -10.031 5.036 1.00 . A A . 15 LYS H 1 1 1 246 1 1 15 LYS HA H 1.402 -12.054 7.131 1.00 . A A . 15 LYS HA 1 1 1 247 1 1 15 LYS HB2 H -0.147 -13.226 5.662 1.00 . A A . 15 LYS HB2 1 1 1 248 1 1 15 LYS HB3 H -0.707 -11.586 5.954 1.00 . A A . 15 LYS HB3 1 1 1 249 1 1 15 LYS HD2 H 0.331 -13.008 2.157 1.00 . A A . 15 LYS HD2 1 1 1 250 1 1 15 LYS HD3 H 1.046 -13.747 3.594 1.00 . A A . 15 LYS HD3 1 1 1 251 1 1 15 LYS HE2 H -1.294 -14.229 4.369 1.00 . A A . 15 LYS HE2 1 1 1 252 1 1 15 LYS HE3 H -1.845 -13.717 2.775 1.00 . A A . 15 LYS HE3 1 1 1 253 1 1 15 LYS HG2 H -1.016 -11.558 3.735 1.00 . A A . 15 LYS HG2 1 1 1 254 1 1 15 LYS HG3 H 0.719 -11.237 3.679 1.00 . A A . 15 LYS HG3 1 1 1 255 1 1 15 LYS HZ1 H -1.646 -16.045 2.703 1.00 . A A . 15 LYS HZ1 1 1 1 256 1 1 15 LYS HZ2 H -0.117 -16.033 3.439 1.00 . A A . 15 LYS HZ2 1 1 1 257 1 1 15 LYS HZ3 H -0.304 -15.446 1.856 1.00 . A A . 15 LYS HZ3 1 1 1 258 1 1 15 LYS N N 1.682 -10.404 5.931 1.00 . A A . 15 LYS N 1 1 1 259 1 1 15 LYS NZ N -0.754 -15.511 2.794 1.00 . A A . 15 LYS NZ 1 1 1 260 1 1 15 LYS O O 2.688 -13.838 5.703 1.00 . A A . 15 LYS O 1 1 1 261 1 1 16 LYS C C 4.114 -13.748 3.035 1.00 . A A . 16 LYS C 1 1 1 262 1 1 16 LYS CA C 4.493 -12.557 3.921 1.00 . A A . 16 LYS CA 1 1 1 263 1 1 16 LYS CB C 5.557 -12.967 4.950 1.00 . A A . 16 LYS CB 1 1 1 264 1 1 16 LYS CD C 7.527 -12.175 3.595 1.00 . A A . 16 LYS CD 1 1 1 265 1 1 16 LYS CE C 8.871 -12.543 2.986 1.00 . A A . 16 LYS CE 1 1 1 266 1 1 16 LYS CG C 6.901 -13.347 4.339 1.00 . A A . 16 LYS CG 1 1 1 267 1 1 16 LYS H H 3.112 -11.039 4.394 1.00 . A A . 16 LYS H 1 1 1 268 1 1 16 LYS HA H 4.914 -11.791 3.285 1.00 . A A . 16 LYS HA 1 1 1 269 1 1 16 LYS HB2 H 5.718 -12.142 5.627 1.00 . A A . 16 LYS HB2 1 1 1 270 1 1 16 LYS HB3 H 5.189 -13.814 5.510 1.00 . A A . 16 LYS HB3 1 1 1 271 1 1 16 LYS HD2 H 6.860 -11.867 2.804 1.00 . A A . 16 LYS HD2 1 1 1 272 1 1 16 LYS HD3 H 7.667 -11.357 4.288 1.00 . A A . 16 LYS HD3 1 1 1 273 1 1 16 LYS HE2 H 8.736 -13.403 2.346 1.00 . A A . 16 LYS HE2 1 1 1 274 1 1 16 LYS HE3 H 9.223 -11.710 2.395 1.00 . A A . 16 LYS HE3 1 1 1 275 1 1 16 LYS HG2 H 7.570 -13.659 5.128 1.00 . A A . 16 LYS HG2 1 1 1 276 1 1 16 LYS HG3 H 6.753 -14.164 3.648 1.00 . A A . 16 LYS HG3 1 1 1 277 1 1 16 LYS HZ1 H 10.800 -13.087 3.564 1.00 . A A . 16 LYS HZ1 1 1 1 278 1 1 16 LYS HZ2 H 9.589 -13.693 4.577 1.00 . A A . 16 LYS HZ2 1 1 1 279 1 1 16 LYS HZ3 H 10.023 -12.055 4.661 1.00 . A A . 16 LYS HZ3 1 1 1 280 1 1 16 LYS N N 3.326 -11.969 4.584 1.00 . A A . 16 LYS N 1 1 1 281 1 1 16 LYS NZ N 9.890 -12.868 4.019 1.00 . A A . 16 LYS NZ 1 1 1 282 1 1 16 LYS O O 4.226 -14.901 3.450 1.00 . A A . 16 LYS O 1 1 1 283 1 1 17 TYR C C 2.252 -15.409 1.147 1.00 . A A . 17 TYR C 1 1 1 284 1 1 17 TYR CA C 3.378 -14.447 0.783 1.00 . A A . 17 TYR CA 1 1 1 285 1 1 17 TYR CB C 4.642 -15.252 0.467 1.00 . A A . 17 TYR CB 1 1 1 286 1 1 17 TYR CD1 C 5.815 -14.605 -1.664 1.00 . A A . 17 TYR CD1 1 1 1 287 1 1 17 TYR CD2 C 6.575 -13.638 0.374 1.00 . A A . 17 TYR CD2 1 1 1 288 1 1 17 TYR CE1 C 6.783 -13.914 -2.359 1.00 . A A . 17 TYR CE1 1 1 1 289 1 1 17 TYR CE2 C 7.544 -12.941 -0.315 1.00 . A A . 17 TYR CE2 1 1 1 290 1 1 17 TYR CG C 5.696 -14.481 -0.287 1.00 . A A . 17 TYR CG 1 1 1 291 1 1 17 TYR CZ C 7.645 -13.084 -1.682 1.00 . A A . 17 TYR CZ 1 1 1 292 1 1 17 TYR H H 3.454 -12.503 1.617 1.00 . A A . 17 TYR H 1 1 1 293 1 1 17 TYR HA H 3.088 -13.916 -0.109 1.00 . A A . 17 TYR HA 1 1 1 294 1 1 17 TYR HB2 H 5.081 -15.590 1.392 1.00 . A A . 17 TYR HB2 1 1 1 295 1 1 17 TYR HB3 H 4.370 -16.112 -0.130 1.00 . A A . 17 TYR HB3 1 1 1 296 1 1 17 TYR HD1 H 5.136 -15.257 -2.192 1.00 . A A . 17 TYR HD1 1 1 1 297 1 1 17 TYR HD2 H 6.491 -13.527 1.445 1.00 . A A . 17 TYR HD2 1 1 1 298 1 1 17 TYR HE1 H 6.860 -14.023 -3.429 1.00 . A A . 17 TYR HE1 1 1 1 299 1 1 17 TYR HE2 H 8.221 -12.290 0.219 1.00 . A A . 17 TYR HE2 1 1 1 300 1 1 17 TYR HH H 9.420 -12.363 -1.845 1.00 . A A . 17 TYR HH 1 1 1 301 1 1 17 TYR N N 3.640 -13.441 1.822 1.00 . A A . 17 TYR N 1 1 1 302 1 1 17 TYR O O 1.115 -15.262 0.690 1.00 . A A . 17 TYR O 1 1 1 303 1 1 17 TYR OH O 8.616 -12.396 -2.374 1.00 . A A . 17 TYR OH 1 1 1 304 1 1 18 GLY C C 1.564 -17.810 3.686 1.00 . A A . 18 GLY C 1 1 1 305 1 1 18 GLY CA C 1.665 -17.479 2.223 1.00 . A A . 18 GLY CA 1 1 1 306 1 1 18 GLY H H 3.409 -16.320 2.492 1.00 . A A . 18 GLY H 1 1 1 307 1 1 18 GLY HA2 H 0.683 -17.218 1.852 1.00 . A A . 18 GLY HA2 1 1 1 308 1 1 18 GLY HA3 H 2.022 -18.347 1.691 1.00 . A A . 18 GLY HA3 1 1 1 309 1 1 18 GLY N N 2.565 -16.378 1.986 1.00 . A A . 18 GLY N 1 1 1 310 1 1 18 GLY O O 0.647 -17.281 4.349 1.00 . A A . 18 GLY O 1 1 1 311 1 1 18 GLY OXT O 2.404 -18.582 4.182 1.00 . A A . 18 GLY OXT 1 1 2 312 1 1 1 GLY C C 0.860 2.928 -3.605 1.00 . A A . 1 GLY C 1 1 2 313 1 1 1 GLY CA C 0.797 3.058 -2.101 1.00 . A A . 1 GLY CA 1 1 2 314 1 1 1 GLY H1 H 2.202 4.592 -1.944 1.00 . A A . 1 GLY H1 1 1 2 315 1 1 1 GLY H2 H 2.851 3.038 -1.769 1.00 . A A . 1 GLY H2 1 1 2 316 1 1 1 GLY H3 H 1.957 3.729 -0.506 1.00 . A A . 1 GLY H3 1 1 2 317 1 1 1 GLY HA2 H 0.653 2.077 -1.673 1.00 . A A . 1 GLY HA2 1 1 2 318 1 1 1 GLY HA3 H -0.040 3.685 -1.835 1.00 . A A . 1 GLY HA3 1 1 2 319 1 1 1 GLY N N 2.036 3.644 -1.540 1.00 . A A . 1 GLY N 1 1 2 320 1 1 1 GLY O O 0.944 3.929 -4.317 1.00 . A A . 1 GLY O 1 1 2 321 1 1 2 GLY C C 1.845 0.347 -5.872 1.00 . A A . 2 GLY C 1 1 2 322 1 1 2 GLY CA C 0.884 1.462 -5.521 1.00 . A A . 2 GLY CA 1 1 2 323 1 1 2 GLY H H 0.776 0.935 -3.474 1.00 . A A . 2 GLY H 1 1 2 324 1 1 2 GLY HA2 H -0.104 1.199 -5.870 1.00 . A A . 2 GLY HA2 1 1 2 325 1 1 2 GLY HA3 H 1.204 2.366 -6.015 1.00 . A A . 2 GLY HA3 1 1 2 326 1 1 2 GLY N N 0.830 1.697 -4.092 1.00 . A A . 2 GLY N 1 1 2 327 1 1 2 GLY O O 2.527 -0.181 -4.995 1.00 . A A . 2 GLY O 1 1 2 328 1 1 3 LEU C C 4.266 -0.651 -7.535 1.00 . A A . 3 LEU C 1 1 2 329 1 1 3 LEU CA C 2.798 -1.083 -7.593 1.00 . A A . 3 LEU CA 1 1 2 330 1 1 3 LEU CB C 2.408 -1.585 -8.996 1.00 . A A . 3 LEU CB 1 1 2 331 1 1 3 LEU CD1 C 3.791 -0.315 -10.685 1.00 . A A . 3 LEU CD1 1 1 2 332 1 1 3 LEU CD2 C 1.445 -0.994 -11.230 1.00 . A A . 3 LEU CD2 1 1 2 333 1 1 3 LEU CG C 2.392 -0.546 -10.126 1.00 . A A . 3 LEU CG 1 1 2 334 1 1 3 LEU H H 1.343 0.453 -7.808 1.00 . A A . 3 LEU H 1 1 2 335 1 1 3 LEU HA H 2.669 -1.901 -6.895 1.00 . A A . 3 LEU HA 1 1 2 336 1 1 3 LEU HB2 H 3.103 -2.364 -9.274 1.00 . A A . 3 LEU HB2 1 1 2 337 1 1 3 LEU HB3 H 1.422 -2.022 -8.930 1.00 . A A . 3 LEU HB3 1 1 2 338 1 1 3 LEU HD11 H 4.432 0.066 -9.905 1.00 . A A . 3 LEU HD11 1 1 2 339 1 1 3 LEU HD12 H 3.744 0.400 -11.496 1.00 . A A . 3 LEU HD12 1 1 2 340 1 1 3 LEU HD13 H 4.192 -1.248 -11.050 1.00 . A A . 3 LEU HD13 1 1 2 341 1 1 3 LEU HD21 H 1.768 -1.951 -11.612 1.00 . A A . 3 LEU HD21 1 1 2 342 1 1 3 LEU HD22 H 1.451 -0.268 -12.027 1.00 . A A . 3 LEU HD22 1 1 2 343 1 1 3 LEU HD23 H 0.444 -1.083 -10.832 1.00 . A A . 3 LEU HD23 1 1 2 344 1 1 3 LEU HG H 2.029 0.393 -9.738 1.00 . A A . 3 LEU HG 1 1 2 345 1 1 3 LEU N N 1.911 -0.010 -7.149 1.00 . A A . 3 LEU N 1 1 2 346 1 1 3 LEU O O 5.170 -1.480 -7.600 1.00 . A A . 3 LEU O 1 1 2 347 1 1 4 ARG C C 6.298 0.890 -5.774 1.00 . A A . 4 ARG C 1 1 2 348 1 1 4 ARG CA C 5.869 1.140 -7.223 1.00 . A A . 4 ARG CA 1 1 2 349 1 1 4 ARG CB C 5.975 2.637 -7.575 1.00 . A A . 4 ARG CB 1 1 2 350 1 1 4 ARG CD C 4.062 3.553 -6.166 1.00 . A A . 4 ARG CD 1 1 2 351 1 1 4 ARG CG C 5.556 3.597 -6.463 1.00 . A A . 4 ARG CG 1 1 2 352 1 1 4 ARG CZ C 2.465 5.098 -7.239 1.00 . A A . 4 ARG CZ 1 1 2 353 1 1 4 ARG H H 3.767 1.285 -7.488 1.00 . A A . 4 ARG H 1 1 2 354 1 1 4 ARG HA H 6.519 0.576 -7.878 1.00 . A A . 4 ARG HA 1 1 2 355 1 1 4 ARG HB2 H 6.999 2.858 -7.833 1.00 . A A . 4 ARG HB2 1 1 2 356 1 1 4 ARG HB3 H 5.352 2.832 -8.437 1.00 . A A . 4 ARG HB3 1 1 2 357 1 1 4 ARG HD2 H 3.783 2.534 -5.943 1.00 . A A . 4 ARG HD2 1 1 2 358 1 1 4 ARG HD3 H 3.864 4.175 -5.305 1.00 . A A . 4 ARG HD3 1 1 2 359 1 1 4 ARG HE H 3.294 3.503 -8.129 1.00 . A A . 4 ARG HE 1 1 2 360 1 1 4 ARG HG2 H 6.090 3.335 -5.564 1.00 . A A . 4 ARG HG2 1 1 2 361 1 1 4 ARG HG3 H 5.822 4.602 -6.756 1.00 . A A . 4 ARG HG3 1 1 2 362 1 1 4 ARG HH11 H 2.961 5.603 -5.339 1.00 . A A . 4 ARG HH11 1 1 2 363 1 1 4 ARG HH12 H 1.799 6.647 -6.100 1.00 . A A . 4 ARG HH12 1 1 2 364 1 1 4 ARG HH21 H 1.774 4.870 -9.127 1.00 . A A . 4 ARG HH21 1 1 2 365 1 1 4 ARG HH22 H 1.151 6.244 -8.270 1.00 . A A . 4 ARG HH22 1 1 2 366 1 1 4 ARG N N 4.509 0.649 -7.419 1.00 . A A . 4 ARG N 1 1 2 367 1 1 4 ARG NE N 3.257 4.027 -7.289 1.00 . A A . 4 ARG NE 1 1 2 368 1 1 4 ARG NH1 N 2.407 5.841 -6.139 1.00 . A A . 4 ARG NH1 1 1 2 369 1 1 4 ARG NH2 N 1.735 5.427 -8.294 1.00 . A A . 4 ARG NH2 1 1 2 370 1 1 4 ARG O O 7.484 0.841 -5.453 1.00 . A A . 4 ARG O 1 1 2 371 1 1 5 SER C C 5.768 -0.979 -3.204 1.00 . A A . 5 SER C 1 1 2 372 1 1 5 SER CA C 5.510 0.498 -3.492 1.00 . A A . 5 SER CA 1 1 2 373 1 1 5 SER CB C 4.299 0.980 -2.698 1.00 . A A . 5 SER CB 1 1 2 374 1 1 5 SER H H 4.382 0.790 -5.243 1.00 . A A . 5 SER H 1 1 2 375 1 1 5 SER HA H 6.373 1.067 -3.184 1.00 . A A . 5 SER HA 1 1 2 376 1 1 5 SER HB2 H 3.436 0.384 -2.960 1.00 . A A . 5 SER HB2 1 1 2 377 1 1 5 SER HB3 H 4.500 0.879 -1.642 1.00 . A A . 5 SER HB3 1 1 2 378 1 1 5 SER HG H 4.855 2.833 -3.027 1.00 . A A . 5 SER HG 1 1 2 379 1 1 5 SER N N 5.301 0.742 -4.910 1.00 . A A . 5 SER N 1 1 2 380 1 1 5 SER O O 6.246 -1.311 -2.126 1.00 . A A . 5 SER O 1 1 2 381 1 1 5 SER OG O 4.018 2.340 -2.980 1.00 . A A . 5 SER OG 1 1 2 382 1 1 6 LEU C C 6.542 -3.844 -3.104 1.00 . A A . 6 LEU C 1 1 2 383 1 1 6 LEU CA C 5.404 -3.311 -3.975 1.00 . A A . 6 LEU CA 1 1 2 384 1 1 6 LEU CB C 5.420 -4.040 -5.320 1.00 . A A . 6 LEU CB 1 1 2 385 1 1 6 LEU CD1 C 4.257 -4.737 -7.423 1.00 . A A . 6 LEU CD1 1 1 2 386 1 1 6 LEU CD2 C 2.942 -4.424 -5.323 1.00 . A A . 6 LEU CD2 1 1 2 387 1 1 6 LEU CG C 4.132 -3.940 -6.136 1.00 . A A . 6 LEU CG 1 1 2 388 1 1 6 LEU H H 5.210 -1.494 -5.060 1.00 . A A . 6 LEU H 1 1 2 389 1 1 6 LEU HA H 4.473 -3.541 -3.480 1.00 . A A . 6 LEU HA 1 1 2 390 1 1 6 LEU HB2 H 6.225 -3.634 -5.914 1.00 . A A . 6 LEU HB2 1 1 2 391 1 1 6 LEU HB3 H 5.623 -5.085 -5.136 1.00 . A A . 6 LEU HB3 1 1 2 392 1 1 6 LEU HD11 H 5.081 -4.352 -8.005 1.00 . A A . 6 LEU HD11 1 1 2 393 1 1 6 LEU HD12 H 3.343 -4.649 -7.992 1.00 . A A . 6 LEU HD12 1 1 2 394 1 1 6 LEU HD13 H 4.439 -5.775 -7.188 1.00 . A A . 6 LEU HD13 1 1 2 395 1 1 6 LEU HD21 H 2.821 -3.798 -4.452 1.00 . A A . 6 LEU HD21 1 1 2 396 1 1 6 LEU HD22 H 3.109 -5.445 -5.013 1.00 . A A . 6 LEU HD22 1 1 2 397 1 1 6 LEU HD23 H 2.049 -4.375 -5.930 1.00 . A A . 6 LEU HD23 1 1 2 398 1 1 6 LEU HG H 3.959 -2.905 -6.399 1.00 . A A . 6 LEU HG 1 1 2 399 1 1 6 LEU N N 5.437 -1.848 -4.173 1.00 . A A . 6 LEU N 1 1 2 400 1 1 6 LEU O O 6.292 -4.634 -2.199 1.00 . A A . 6 LEU O 1 1 2 401 1 1 7 GLY C C 8.662 -3.724 -1.068 1.00 . A A . 7 GLY C 1 1 2 402 1 1 7 GLY CA C 8.907 -3.856 -2.567 1.00 . A A . 7 GLY CA 1 1 2 403 1 1 7 GLY H H 7.915 -2.807 -4.129 1.00 . A A . 7 GLY H 1 1 2 404 1 1 7 GLY HA2 H 9.113 -4.892 -2.797 1.00 . A A . 7 GLY HA2 1 1 2 405 1 1 7 GLY HA3 H 9.769 -3.263 -2.832 1.00 . A A . 7 GLY HA3 1 1 2 406 1 1 7 GLY N N 7.772 -3.416 -3.369 1.00 . A A . 7 GLY N 1 1 2 407 1 1 7 GLY O O 8.938 -4.646 -0.301 1.00 . A A . 7 GLY O 1 1 2 408 1 1 8 ARG C C 6.394 -2.746 1.068 1.00 . A A . 8 ARG C 1 1 2 409 1 1 8 ARG CA C 7.829 -2.328 0.744 1.00 . A A . 8 ARG CA 1 1 2 410 1 1 8 ARG CB C 8.059 -0.851 1.068 1.00 . A A . 8 ARG CB 1 1 2 411 1 1 8 ARG CD C 9.653 1.103 0.887 1.00 . A A . 8 ARG CD 1 1 2 412 1 1 8 ARG CG C 9.445 -0.384 0.664 1.00 . A A . 8 ARG CG 1 1 2 413 1 1 8 ARG CZ C 11.646 2.553 0.670 1.00 . A A . 8 ARG CZ 1 1 2 414 1 1 8 ARG H H 7.922 -1.889 -1.323 1.00 . A A . 8 ARG H 1 1 2 415 1 1 8 ARG HA H 8.505 -2.925 1.336 1.00 . A A . 8 ARG HA 1 1 2 416 1 1 8 ARG HB2 H 7.327 -0.253 0.542 1.00 . A A . 8 ARG HB2 1 1 2 417 1 1 8 ARG HB3 H 7.944 -0.700 2.130 1.00 . A A . 8 ARG HB3 1 1 2 418 1 1 8 ARG HD2 H 8.811 1.641 0.477 1.00 . A A . 8 ARG HD2 1 1 2 419 1 1 8 ARG HD3 H 9.726 1.294 1.947 1.00 . A A . 8 ARG HD3 1 1 2 420 1 1 8 ARG HE H 11.144 1.077 -0.593 1.00 . A A . 8 ARG HE 1 1 2 421 1 1 8 ARG HG2 H 10.174 -0.925 1.245 1.00 . A A . 8 ARG HG2 1 1 2 422 1 1 8 ARG HG3 H 9.591 -0.603 -0.384 1.00 . A A . 8 ARG HG3 1 1 2 423 1 1 8 ARG HH11 H 10.479 3.006 2.267 1.00 . A A . 8 ARG HH11 1 1 2 424 1 1 8 ARG HH12 H 11.906 3.982 2.092 1.00 . A A . 8 ARG HH12 1 1 2 425 1 1 8 ARG HH21 H 13.006 2.348 -0.825 1.00 . A A . 8 ARG HH21 1 1 2 426 1 1 8 ARG HH22 H 13.345 3.617 0.321 1.00 . A A . 8 ARG HH22 1 1 2 427 1 1 8 ARG N N 8.131 -2.581 -0.659 1.00 . A A . 8 ARG N 1 1 2 428 1 1 8 ARG NE N 10.877 1.558 0.234 1.00 . A A . 8 ARG NE 1 1 2 429 1 1 8 ARG NH1 N 11.314 3.235 1.762 1.00 . A A . 8 ARG NH1 1 1 2 430 1 1 8 ARG NH2 N 12.752 2.866 0.004 1.00 . A A . 8 ARG NH2 1 1 2 431 1 1 8 ARG O O 6.052 -2.980 2.226 1.00 . A A . 8 ARG O 1 1 2 432 1 1 9 LYS C C 4.105 -4.768 0.535 1.00 . A A . 9 LYS C 1 1 2 433 1 1 9 LYS CA C 4.177 -3.278 0.200 1.00 . A A . 9 LYS CA 1 1 2 434 1 1 9 LYS CB C 3.371 -2.981 -1.068 1.00 . A A . 9 LYS CB 1 1 2 435 1 1 9 LYS CD C 1.120 -2.980 -2.213 1.00 . A A . 9 LYS CD 1 1 2 436 1 1 9 LYS CE C -0.376 -3.184 -2.021 1.00 . A A . 9 LYS CE 1 1 2 437 1 1 9 LYS CG C 1.876 -3.221 -0.915 1.00 . A A . 9 LYS CG 1 1 2 438 1 1 9 LYS H H 5.894 -2.638 -0.866 1.00 . A A . 9 LYS H 1 1 2 439 1 1 9 LYS HA H 3.759 -2.716 1.021 1.00 . A A . 9 LYS HA 1 1 2 440 1 1 9 LYS HB2 H 3.524 -1.948 -1.338 1.00 . A A . 9 LYS HB2 1 1 2 441 1 1 9 LYS HB3 H 3.735 -3.610 -1.868 1.00 . A A . 9 LYS HB3 1 1 2 442 1 1 9 LYS HD2 H 1.298 -1.966 -2.541 1.00 . A A . 9 LYS HD2 1 1 2 443 1 1 9 LYS HD3 H 1.475 -3.672 -2.963 1.00 . A A . 9 LYS HD3 1 1 2 444 1 1 9 LYS HE2 H -0.544 -4.179 -1.636 1.00 . A A . 9 LYS HE2 1 1 2 445 1 1 9 LYS HE3 H -0.736 -2.458 -1.305 1.00 . A A . 9 LYS HE3 1 1 2 446 1 1 9 LYS HG2 H 1.717 -4.243 -0.605 1.00 . A A . 9 LYS HG2 1 1 2 447 1 1 9 LYS HG3 H 1.492 -2.552 -0.157 1.00 . A A . 9 LYS HG3 1 1 2 448 1 1 9 LYS HZ1 H -2.155 -3.127 -3.115 1.00 . A A . 9 LYS HZ1 1 1 2 449 1 1 9 LYS HZ2 H -0.838 -3.758 -3.977 1.00 . A A . 9 LYS HZ2 1 1 2 450 1 1 9 LYS HZ3 H -0.955 -2.088 -3.704 1.00 . A A . 9 LYS HZ3 1 1 2 451 1 1 9 LYS N N 5.564 -2.857 0.035 1.00 . A A . 9 LYS N 1 1 2 452 1 1 9 LYS NZ N -1.131 -3.028 -3.293 1.00 . A A . 9 LYS NZ 1 1 2 453 1 1 9 LYS O O 3.143 -5.237 1.136 1.00 . A A . 9 LYS O 1 1 2 454 1 1 10 ILE C C 5.910 -7.011 1.870 1.00 . A A . 10 ILE C 1 1 2 455 1 1 10 ILE CA C 5.240 -6.912 0.502 1.00 . A A . 10 ILE CA 1 1 2 456 1 1 10 ILE CB C 6.073 -7.717 -0.527 1.00 . A A . 10 ILE CB 1 1 2 457 1 1 10 ILE CD1 C 4.089 -8.050 -2.107 1.00 . A A . 10 ILE CD1 1 1 2 458 1 1 10 ILE CG1 C 5.508 -7.550 -1.943 1.00 . A A . 10 ILE CG1 1 1 2 459 1 1 10 ILE CG2 C 6.121 -9.194 -0.149 1.00 . A A . 10 ILE CG2 1 1 2 460 1 1 10 ILE H H 5.799 -5.112 -0.469 1.00 . A A . 10 ILE H 1 1 2 461 1 1 10 ILE HA H 4.248 -7.337 0.557 1.00 . A A . 10 ILE HA 1 1 2 462 1 1 10 ILE HB H 7.083 -7.336 -0.509 1.00 . A A . 10 ILE HB 1 1 2 463 1 1 10 ILE HD11 H 3.768 -7.900 -3.127 1.00 . A A . 10 ILE HD11 1 1 2 464 1 1 10 ILE HD12 H 3.437 -7.507 -1.438 1.00 . A A . 10 ILE HD12 1 1 2 465 1 1 10 ILE HD13 H 4.051 -9.103 -1.871 1.00 . A A . 10 ILE HD13 1 1 2 466 1 1 10 ILE HG12 H 5.515 -6.503 -2.204 1.00 . A A . 10 ILE HG12 1 1 2 467 1 1 10 ILE HG13 H 6.135 -8.093 -2.637 1.00 . A A . 10 ILE HG13 1 1 2 468 1 1 10 ILE HG21 H 6.523 -9.299 0.847 1.00 . A A . 10 ILE HG21 1 1 2 469 1 1 10 ILE HG22 H 6.750 -9.723 -0.849 1.00 . A A . 10 ILE HG22 1 1 2 470 1 1 10 ILE HG23 H 5.123 -9.607 -0.180 1.00 . A A . 10 ILE HG23 1 1 2 471 1 1 10 ILE N N 5.120 -5.511 0.123 1.00 . A A . 10 ILE N 1 1 2 472 1 1 10 ILE O O 5.576 -7.876 2.682 1.00 . A A . 10 ILE O 1 1 2 473 1 1 11 LEU C C 6.752 -5.940 4.600 1.00 . A A . 11 LEU C 1 1 2 474 1 1 11 LEU CA C 7.627 -6.054 3.349 1.00 . A A . 11 LEU CA 1 1 2 475 1 1 11 LEU CB C 8.593 -4.871 3.287 1.00 . A A . 11 LEU CB 1 1 2 476 1 1 11 LEU CD1 C 10.560 -5.790 4.549 1.00 . A A . 11 LEU CD1 1 1 2 477 1 1 11 LEU CD2 C 10.164 -3.318 4.465 1.00 . A A . 11 LEU CD2 1 1 2 478 1 1 11 LEU CG C 9.510 -4.691 4.498 1.00 . A A . 11 LEU CG 1 1 2 479 1 1 11 LEU H H 7.000 -5.397 1.439 1.00 . A A . 11 LEU H 1 1 2 480 1 1 11 LEU HA H 8.197 -6.968 3.402 1.00 . A A . 11 LEU HA 1 1 2 481 1 1 11 LEU HB2 H 9.212 -4.990 2.410 1.00 . A A . 11 LEU HB2 1 1 2 482 1 1 11 LEU HB3 H 8.010 -3.970 3.172 1.00 . A A . 11 LEU HB3 1 1 2 483 1 1 11 LEU HD11 H 11.157 -5.762 3.650 1.00 . A A . 11 LEU HD11 1 1 2 484 1 1 11 LEU HD12 H 10.072 -6.750 4.628 1.00 . A A . 11 LEU HD12 1 1 2 485 1 1 11 LEU HD13 H 11.197 -5.640 5.409 1.00 . A A . 11 LEU HD13 1 1 2 486 1 1 11 LEU HD21 H 9.401 -2.554 4.522 1.00 . A A . 11 LEU HD21 1 1 2 487 1 1 11 LEU HD22 H 10.717 -3.203 3.545 1.00 . A A . 11 LEU HD22 1 1 2 488 1 1 11 LEU HD23 H 10.836 -3.217 5.305 1.00 . A A . 11 LEU HD23 1 1 2 489 1 1 11 LEU HG H 8.919 -4.756 5.399 1.00 . A A . 11 LEU HG 1 1 2 490 1 1 11 LEU N N 6.835 -6.085 2.117 1.00 . A A . 11 LEU N 1 1 2 491 1 1 11 LEU O O 7.107 -6.446 5.668 1.00 . A A . 11 LEU O 1 1 2 492 1 1 12 ARG C C 4.025 -6.399 5.985 1.00 . A A . 12 ARG C 1 1 2 493 1 1 12 ARG CA C 4.697 -5.086 5.588 1.00 . A A . 12 ARG CA 1 1 2 494 1 1 12 ARG CB C 3.638 -4.035 5.247 1.00 . A A . 12 ARG CB 1 1 2 495 1 1 12 ARG CD C 1.824 -3.282 3.673 1.00 . A A . 12 ARG CD 1 1 2 496 1 1 12 ARG CG C 2.891 -4.323 3.957 1.00 . A A . 12 ARG CG 1 1 2 497 1 1 12 ARG CZ C -0.543 -2.958 4.289 1.00 . A A . 12 ARG CZ 1 1 2 498 1 1 12 ARG H H 5.386 -4.893 3.593 1.00 . A A . 12 ARG H 1 1 2 499 1 1 12 ARG HA H 5.280 -4.734 6.426 1.00 . A A . 12 ARG HA 1 1 2 500 1 1 12 ARG HB2 H 2.920 -3.992 6.053 1.00 . A A . 12 ARG HB2 1 1 2 501 1 1 12 ARG HB3 H 4.119 -3.072 5.153 1.00 . A A . 12 ARG HB3 1 1 2 502 1 1 12 ARG HD2 H 2.259 -2.301 3.790 1.00 . A A . 12 ARG HD2 1 1 2 503 1 1 12 ARG HD3 H 1.484 -3.405 2.656 1.00 . A A . 12 ARG HD3 1 1 2 504 1 1 12 ARG HE H 0.828 -3.860 5.440 1.00 . A A . 12 ARG HE 1 1 2 505 1 1 12 ARG HG2 H 3.595 -4.330 3.138 1.00 . A A . 12 ARG HG2 1 1 2 506 1 1 12 ARG HG3 H 2.420 -5.293 4.035 1.00 . A A . 12 ARG HG3 1 1 2 507 1 1 12 ARG HH11 H -0.030 -2.174 2.494 1.00 . A A . 12 ARG HH11 1 1 2 508 1 1 12 ARG HH12 H -1.703 -1.988 2.922 1.00 . A A . 12 ARG HH12 1 1 2 509 1 1 12 ARG HH21 H -1.361 -3.626 6.017 1.00 . A A . 12 ARG HH21 1 1 2 510 1 1 12 ARG HH22 H -2.461 -2.804 4.948 1.00 . A A . 12 ARG HH22 1 1 2 511 1 1 12 ARG N N 5.614 -5.274 4.466 1.00 . A A . 12 ARG N 1 1 2 512 1 1 12 ARG NE N 0.679 -3.404 4.574 1.00 . A A . 12 ARG NE 1 1 2 513 1 1 12 ARG NH1 N -0.773 -2.322 3.145 1.00 . A A . 12 ARG NH1 1 1 2 514 1 1 12 ARG NH2 N -1.532 -3.147 5.153 1.00 . A A . 12 ARG NH2 1 1 2 515 1 1 12 ARG O O 3.520 -6.521 7.099 1.00 . A A . 12 ARG O 1 1 2 516 1 1 13 ALA C C 2.010 -8.591 5.811 1.00 . A A . 13 ALA C 1 1 2 517 1 1 13 ALA CA C 3.441 -8.688 5.297 1.00 . A A . 13 ALA CA 1 1 2 518 1 1 13 ALA CB C 4.302 -9.503 6.253 1.00 . A A . 13 ALA CB 1 1 2 519 1 1 13 ALA H H 4.464 -7.193 4.201 1.00 . A A . 13 ALA H 1 1 2 520 1 1 13 ALA HA H 3.423 -9.207 4.347 1.00 . A A . 13 ALA HA 1 1 2 521 1 1 13 ALA HB1 H 5.303 -9.583 5.855 1.00 . A A . 13 ALA HB1 1 1 2 522 1 1 13 ALA HB2 H 3.879 -10.490 6.366 1.00 . A A . 13 ALA HB2 1 1 2 523 1 1 13 ALA HB3 H 4.334 -9.012 7.216 1.00 . A A . 13 ALA HB3 1 1 2 524 1 1 13 ALA N N 4.031 -7.368 5.065 1.00 . A A . 13 ALA N 1 1 2 525 1 1 13 ALA O O 1.757 -8.686 7.011 1.00 . A A . 13 ALA O 1 1 2 526 1 1 14 TRP C C -0.801 -9.653 5.816 1.00 . A A . 14 TRP C 1 1 2 527 1 1 14 TRP CA C -0.340 -8.320 5.234 1.00 . A A . 14 TRP CA 1 1 2 528 1 1 14 TRP CB C -1.176 -7.971 3.996 1.00 . A A . 14 TRP CB 1 1 2 529 1 1 14 TRP CD1 C 0.115 -6.605 2.257 1.00 . A A . 14 TRP CD1 1 1 2 530 1 1 14 TRP CD2 C 0.089 -8.807 1.855 1.00 . A A . 14 TRP CD2 1 1 2 531 1 1 14 TRP CE2 C 0.829 -8.174 0.841 1.00 . A A . 14 TRP CE2 1 1 2 532 1 1 14 TRP CE3 C -0.058 -10.195 1.811 1.00 . A A . 14 TRP CE3 1 1 2 533 1 1 14 TRP CG C -0.359 -7.785 2.752 1.00 . A A . 14 TRP CG 1 1 2 534 1 1 14 TRP CH2 C 1.253 -10.238 -0.223 1.00 . A A . 14 TRP CH2 1 1 2 535 1 1 14 TRP CZ2 C 1.410 -8.880 -0.207 1.00 . A A . 14 TRP CZ2 1 1 2 536 1 1 14 TRP CZ3 C 0.523 -10.897 0.771 1.00 . A A . 14 TRP CZ3 1 1 2 537 1 1 14 TRP H H 1.353 -8.248 3.961 1.00 . A A . 14 TRP H 1 1 2 538 1 1 14 TRP HA H -0.474 -7.548 5.977 1.00 . A A . 14 TRP HA 1 1 2 539 1 1 14 TRP HB2 H -1.886 -8.765 3.813 1.00 . A A . 14 TRP HB2 1 1 2 540 1 1 14 TRP HB3 H -1.712 -7.052 4.183 1.00 . A A . 14 TRP HB3 1 1 2 541 1 1 14 TRP HD1 H -0.051 -5.641 2.713 1.00 . A A . 14 TRP HD1 1 1 2 542 1 1 14 TRP HE1 H 1.277 -6.143 0.566 1.00 . A A . 14 TRP HE1 1 1 2 543 1 1 14 TRP HE3 H -0.618 -10.720 2.569 1.00 . A A . 14 TRP HE3 1 1 2 544 1 1 14 TRP HH2 H 1.689 -10.824 -1.020 1.00 . A A . 14 TRP HH2 1 1 2 545 1 1 14 TRP HZ2 H 1.974 -8.385 -0.985 1.00 . A A . 14 TRP HZ2 1 1 2 546 1 1 14 TRP HZ3 H 0.419 -11.971 0.721 1.00 . A A . 14 TRP HZ3 1 1 2 547 1 1 14 TRP N N 1.080 -8.378 4.894 1.00 . A A . 14 TRP N 1 1 2 548 1 1 14 TRP NE1 N 0.830 -6.832 1.108 1.00 . A A . 14 TRP NE1 1 1 2 549 1 1 14 TRP O O -1.166 -9.745 6.988 1.00 . A A . 14 TRP O 1 1 2 550 1 1 15 LYS C C 0.097 -12.956 5.157 1.00 . A A . 15 LYS C 1 1 2 551 1 1 15 LYS CA C -1.096 -12.037 5.410 1.00 . A A . 15 LYS CA 1 1 2 552 1 1 15 LYS CB C -2.348 -12.541 4.685 1.00 . A A . 15 LYS CB 1 1 2 553 1 1 15 LYS CD C -2.162 -13.903 2.588 1.00 . A A . 15 LYS CD 1 1 2 554 1 1 15 LYS CE C -3.441 -14.680 2.851 1.00 . A A . 15 LYS CE 1 1 2 555 1 1 15 LYS CG C -2.244 -12.503 3.169 1.00 . A A . 15 LYS CG 1 1 2 556 1 1 15 LYS H H -0.573 -10.518 4.039 1.00 . A A . 15 LYS H 1 1 2 557 1 1 15 LYS HA H -1.293 -12.012 6.473 1.00 . A A . 15 LYS HA 1 1 2 558 1 1 15 LYS HB2 H -2.530 -13.563 4.982 1.00 . A A . 15 LYS HB2 1 1 2 559 1 1 15 LYS HB3 H -3.190 -11.934 4.983 1.00 . A A . 15 LYS HB3 1 1 2 560 1 1 15 LYS HD2 H -2.001 -13.833 1.523 1.00 . A A . 15 LYS HD2 1 1 2 561 1 1 15 LYS HD3 H -1.332 -14.421 3.046 1.00 . A A . 15 LYS HD3 1 1 2 562 1 1 15 LYS HE2 H -3.663 -14.632 3.905 1.00 . A A . 15 LYS HE2 1 1 2 563 1 1 15 LYS HE3 H -4.245 -14.221 2.294 1.00 . A A . 15 LYS HE3 1 1 2 564 1 1 15 LYS HG2 H -3.116 -12.007 2.769 1.00 . A A . 15 LYS HG2 1 1 2 565 1 1 15 LYS HG3 H -1.356 -11.954 2.892 1.00 . A A . 15 LYS HG3 1 1 2 566 1 1 15 LYS HZ1 H -2.521 -16.554 2.940 1.00 . A A . 15 LYS HZ1 1 1 2 567 1 1 15 LYS HZ2 H -3.177 -16.180 1.417 1.00 . A A . 15 LYS HZ2 1 1 2 568 1 1 15 LYS HZ3 H -4.195 -16.617 2.699 1.00 . A A . 15 LYS HZ3 1 1 2 569 1 1 15 LYS N N -0.783 -10.680 4.980 1.00 . A A . 15 LYS N 1 1 2 570 1 1 15 LYS NZ N -3.326 -16.105 2.447 1.00 . A A . 15 LYS NZ 1 1 2 571 1 1 15 LYS O O 0.046 -14.155 5.432 1.00 . A A . 15 LYS O 1 1 2 572 1 1 16 LYS C C 2.236 -14.384 3.641 1.00 . A A . 16 LYS C 1 1 2 573 1 1 16 LYS CA C 2.436 -13.046 4.362 1.00 . A A . 16 LYS CA 1 1 2 574 1 1 16 LYS CB C 3.225 -13.242 5.664 1.00 . A A . 16 LYS CB 1 1 2 575 1 1 16 LYS CD C 5.392 -12.575 4.576 1.00 . A A . 16 LYS CD 1 1 2 576 1 1 16 LYS CE C 6.843 -12.942 4.305 1.00 . A A . 16 LYS CE 1 1 2 577 1 1 16 LYS CG C 4.689 -13.608 5.446 1.00 . A A . 16 LYS CG 1 1 2 578 1 1 16 LYS H H 1.109 -11.405 4.432 1.00 . A A . 16 LYS H 1 1 2 579 1 1 16 LYS HA H 3.014 -12.406 3.712 1.00 . A A . 16 LYS HA 1 1 2 580 1 1 16 LYS HB2 H 3.187 -12.327 6.236 1.00 . A A . 16 LYS HB2 1 1 2 581 1 1 16 LYS HB3 H 2.760 -14.033 6.235 1.00 . A A . 16 LYS HB3 1 1 2 582 1 1 16 LYS HD2 H 4.872 -12.502 3.633 1.00 . A A . 16 LYS HD2 1 1 2 583 1 1 16 LYS HD3 H 5.361 -11.618 5.077 1.00 . A A . 16 LYS HD3 1 1 2 584 1 1 16 LYS HE2 H 6.881 -13.963 3.959 1.00 . A A . 16 LYS HE2 1 1 2 585 1 1 16 LYS HE3 H 7.227 -12.289 3.533 1.00 . A A . 16 LYS HE3 1 1 2 586 1 1 16 LYS HG2 H 5.184 -13.655 6.405 1.00 . A A . 16 LYS HG2 1 1 2 587 1 1 16 LYS HG3 H 4.743 -14.572 4.963 1.00 . A A . 16 LYS HG3 1 1 2 588 1 1 16 LYS HZ1 H 7.643 -11.836 5.886 1.00 . A A . 16 LYS HZ1 1 1 2 589 1 1 16 LYS HZ2 H 8.688 -13.021 5.278 1.00 . A A . 16 LYS HZ2 1 1 2 590 1 1 16 LYS HZ3 H 7.377 -13.468 6.260 1.00 . A A . 16 LYS HZ3 1 1 2 591 1 1 16 LYS N N 1.169 -12.358 4.631 1.00 . A A . 16 LYS N 1 1 2 592 1 1 16 LYS NZ N 7.695 -12.809 5.515 1.00 . A A . 16 LYS NZ 1 1 2 593 1 1 16 LYS O O 2.561 -15.445 4.175 1.00 . A A . 16 LYS O 1 1 2 594 1 1 17 TYR C C 0.503 -16.473 2.046 1.00 . A A . 17 TYR C 1 1 2 595 1 1 17 TYR CA C 1.527 -15.461 1.532 1.00 . A A . 17 TYR CA 1 1 2 596 1 1 17 TYR CB C 2.873 -16.153 1.278 1.00 . A A . 17 TYR CB 1 1 2 597 1 1 17 TYR CD1 C 3.822 -15.007 -0.760 1.00 . A A . 17 TYR CD1 1 1 2 598 1 1 17 TYR CD2 C 4.922 -14.680 1.328 1.00 . A A . 17 TYR CD2 1 1 2 599 1 1 17 TYR CE1 C 4.748 -14.195 -1.381 1.00 . A A . 17 TYR CE1 1 1 2 600 1 1 17 TYR CE2 C 5.852 -13.867 0.714 1.00 . A A . 17 TYR CE2 1 1 2 601 1 1 17 TYR CG C 3.892 -15.263 0.603 1.00 . A A . 17 TYR CG 1 1 2 602 1 1 17 TYR CZ C 5.760 -13.627 -0.639 1.00 . A A . 17 TYR CZ 1 1 2 603 1 1 17 TYR H H 1.350 -13.440 2.125 1.00 . A A . 17 TYR H 1 1 2 604 1 1 17 TYR HA H 1.165 -15.076 0.589 1.00 . A A . 17 TYR HA 1 1 2 605 1 1 17 TYR HB2 H 3.289 -16.475 2.220 1.00 . A A . 17 TYR HB2 1 1 2 606 1 1 17 TYR HB3 H 2.713 -17.014 0.646 1.00 . A A . 17 TYR HB3 1 1 2 607 1 1 17 TYR HD1 H 3.027 -15.452 -1.337 1.00 . A A . 17 TYR HD1 1 1 2 608 1 1 17 TYR HD2 H 4.992 -14.872 2.387 1.00 . A A . 17 TYR HD2 1 1 2 609 1 1 17 TYR HE1 H 4.678 -14.005 -2.442 1.00 . A A . 17 TYR HE1 1 1 2 610 1 1 17 TYR HE2 H 6.646 -13.420 1.294 1.00 . A A . 17 TYR HE2 1 1 2 611 1 1 17 TYR HH H 7.570 -13.093 -0.987 1.00 . A A . 17 TYR HH 1 1 2 612 1 1 17 TYR N N 1.682 -14.308 2.428 1.00 . A A . 17 TYR N 1 1 2 613 1 1 17 TYR O O -0.594 -16.578 1.498 1.00 . A A . 17 TYR O 1 1 2 614 1 1 17 TYR OH O 6.686 -12.821 -1.251 1.00 . A A . 17 TYR OH 1 1 2 615 1 1 18 GLY C C -0.919 -17.798 4.699 1.00 . A A . 18 GLY C 1 1 2 616 1 1 18 GLY CA C -0.010 -18.260 3.583 1.00 . A A . 18 GLY CA 1 1 2 617 1 1 18 GLY H H 1.698 -17.006 3.555 1.00 . A A . 18 GLY H 1 1 2 618 1 1 18 GLY HA2 H -0.618 -18.620 2.767 1.00 . A A . 18 GLY HA2 1 1 2 619 1 1 18 GLY HA3 H 0.604 -19.071 3.947 1.00 . A A . 18 GLY HA3 1 1 2 620 1 1 18 GLY N N 0.852 -17.203 3.093 1.00 . A A . 18 GLY N 1 1 2 621 1 1 18 GLY O O -2.027 -17.311 4.401 1.00 . A A . 18 GLY O 1 1 2 622 1 1 18 GLY OXT O -0.532 -17.918 5.877 1.00 . A A . 18 GLY OXT 1 1 3 623 1 1 1 GLY C C 0.940 -0.300 -3.272 1.00 . A A . 1 GLY C 1 1 3 624 1 1 1 GLY CA C 1.360 0.997 -2.613 1.00 . A A . 1 GLY CA 1 1 3 625 1 1 1 GLY H1 H 0.748 2.296 -1.100 1.00 . A A . 1 GLY H1 1 1 3 626 1 1 1 GLY H2 H 0.321 0.681 -0.832 1.00 . A A . 1 GLY H2 1 1 3 627 1 1 1 GLY H3 H -0.529 1.603 -1.971 1.00 . A A . 1 GLY H3 1 1 3 628 1 1 1 GLY HA2 H 1.416 1.766 -3.369 1.00 . A A . 1 GLY HA2 1 1 3 629 1 1 1 GLY HA3 H 2.338 0.866 -2.173 1.00 . A A . 1 GLY HA3 1 1 3 630 1 1 1 GLY N N 0.411 1.423 -1.558 1.00 . A A . 1 GLY N 1 1 3 631 1 1 1 GLY O O 0.083 -1.015 -2.752 1.00 . A A . 1 GLY O 1 1 3 632 1 1 2 GLY C C 2.237 -2.231 -6.158 1.00 . A A . 2 GLY C 1 1 3 633 1 1 2 GLY CA C 1.190 -1.811 -5.141 1.00 . A A . 2 GLY CA 1 1 3 634 1 1 2 GLY H H 2.260 -0.026 -4.752 1.00 . A A . 2 GLY H 1 1 3 635 1 1 2 GLY HA2 H 1.045 -2.619 -4.438 1.00 . A A . 2 GLY HA2 1 1 3 636 1 1 2 GLY HA3 H 0.259 -1.630 -5.659 1.00 . A A . 2 GLY HA3 1 1 3 637 1 1 2 GLY N N 1.552 -0.613 -4.409 1.00 . A A . 2 GLY N 1 1 3 638 1 1 2 GLY O O 3.177 -2.949 -5.824 1.00 . A A . 2 GLY O 1 1 3 639 1 1 3 LEU C C 4.354 -1.717 -8.363 1.00 . A A . 3 LEU C 1 1 3 640 1 1 3 LEU CA C 2.919 -2.214 -8.504 1.00 . A A . 3 LEU CA 1 1 3 641 1 1 3 LEU CB C 2.365 -1.714 -9.849 1.00 . A A . 3 LEU CB 1 1 3 642 1 1 3 LEU CD1 C -0.066 -1.209 -9.398 1.00 . A A . 3 LEU CD1 1 1 3 643 1 1 3 LEU CD2 C 0.668 -1.931 -11.673 1.00 . A A . 3 LEU CD2 1 1 3 644 1 1 3 LEU CG C 0.911 -2.077 -10.179 1.00 . A A . 3 LEU CG 1 1 3 645 1 1 3 LEU H H 1.413 -1.063 -7.554 1.00 . A A . 3 LEU H 1 1 3 646 1 1 3 LEU HA H 2.919 -3.294 -8.501 1.00 . A A . 3 LEU HA 1 1 3 647 1 1 3 LEU HB2 H 2.450 -0.637 -9.863 1.00 . A A . 3 LEU HB2 1 1 3 648 1 1 3 LEU HB3 H 2.992 -2.110 -10.634 1.00 . A A . 3 LEU HB3 1 1 3 649 1 1 3 LEU HD11 H -1.077 -1.481 -9.663 1.00 . A A . 3 LEU HD11 1 1 3 650 1 1 3 LEU HD12 H 0.102 -0.169 -9.638 1.00 . A A . 3 LEU HD12 1 1 3 651 1 1 3 LEU HD13 H 0.083 -1.363 -8.339 1.00 . A A . 3 LEU HD13 1 1 3 652 1 1 3 LEU HD21 H 1.319 -2.606 -12.211 1.00 . A A . 3 LEU HD21 1 1 3 653 1 1 3 LEU HD22 H 0.879 -0.914 -11.974 1.00 . A A . 3 LEU HD22 1 1 3 654 1 1 3 LEU HD23 H -0.360 -2.169 -11.896 1.00 . A A . 3 LEU HD23 1 1 3 655 1 1 3 LEU HG H 0.733 -3.109 -9.910 1.00 . A A . 3 LEU HG 1 1 3 656 1 1 3 LEU N N 2.089 -1.755 -7.390 1.00 . A A . 3 LEU N 1 1 3 657 1 1 3 LEU O O 5.289 -2.501 -8.220 1.00 . A A . 3 LEU O 1 1 3 658 1 1 4 ARG C C 6.334 0.277 -6.902 1.00 . A A . 4 ARG C 1 1 3 659 1 1 4 ARG CA C 5.834 0.213 -8.339 1.00 . A A . 4 ARG CA 1 1 3 660 1 1 4 ARG CB C 5.788 1.604 -8.977 1.00 . A A . 4 ARG CB 1 1 3 661 1 1 4 ARG CD C 4.330 3.643 -9.210 1.00 . A A . 4 ARG CD 1 1 3 662 1 1 4 ARG CG C 4.881 2.594 -8.257 1.00 . A A . 4 ARG CG 1 1 3 663 1 1 4 ARG CZ C 5.273 5.363 -10.712 1.00 . A A . 4 ARG CZ 1 1 3 664 1 1 4 ARG H H 3.720 0.170 -8.445 1.00 . A A . 4 ARG H 1 1 3 665 1 1 4 ARG HA H 6.506 -0.411 -8.908 1.00 . A A . 4 ARG HA 1 1 3 666 1 1 4 ARG HB2 H 6.788 2.012 -8.990 1.00 . A A . 4 ARG HB2 1 1 3 667 1 1 4 ARG HB3 H 5.438 1.505 -9.994 1.00 . A A . 4 ARG HB3 1 1 3 668 1 1 4 ARG HD2 H 3.558 3.192 -9.814 1.00 . A A . 4 ARG HD2 1 1 3 669 1 1 4 ARG HD3 H 3.905 4.449 -8.629 1.00 . A A . 4 ARG HD3 1 1 3 670 1 1 4 ARG HE H 6.167 3.638 -10.229 1.00 . A A . 4 ARG HE 1 1 3 671 1 1 4 ARG HG2 H 4.054 2.057 -7.817 1.00 . A A . 4 ARG HG2 1 1 3 672 1 1 4 ARG HG3 H 5.445 3.088 -7.479 1.00 . A A . 4 ARG HG3 1 1 3 673 1 1 4 ARG HH11 H 3.418 5.804 -10.008 1.00 . A A . 4 ARG HH11 1 1 3 674 1 1 4 ARG HH12 H 4.132 7.013 -11.039 1.00 . A A . 4 ARG HH12 1 1 3 675 1 1 4 ARG HH21 H 7.086 5.194 -11.605 1.00 . A A . 4 ARG HH21 1 1 3 676 1 1 4 ARG HH22 H 6.214 6.659 -11.958 1.00 . A A . 4 ARG HH22 1 1 3 677 1 1 4 ARG N N 4.513 -0.403 -8.390 1.00 . A A . 4 ARG N 1 1 3 678 1 1 4 ARG NE N 5.361 4.187 -10.090 1.00 . A A . 4 ARG NE 1 1 3 679 1 1 4 ARG NH1 N 4.188 6.117 -10.578 1.00 . A A . 4 ARG NH1 1 1 3 680 1 1 4 ARG NH2 N 6.269 5.772 -11.486 1.00 . A A . 4 ARG NH2 1 1 3 681 1 1 4 ARG O O 7.524 0.439 -6.638 1.00 . A A . 4 ARG O 1 1 3 682 1 1 5 SER C C 6.152 -1.211 -4.082 1.00 . A A . 5 SER C 1 1 3 683 1 1 5 SER CA C 5.679 0.160 -4.560 1.00 . A A . 5 SER CA 1 1 3 684 1 1 5 SER CB C 4.434 0.568 -3.789 1.00 . A A . 5 SER CB 1 1 3 685 1 1 5 SER H H 4.467 0.069 -6.278 1.00 . A A . 5 SER H 1 1 3 686 1 1 5 SER HA H 6.458 0.883 -4.377 1.00 . A A . 5 SER HA 1 1 3 687 1 1 5 SER HB2 H 3.800 -0.294 -3.641 1.00 . A A . 5 SER HB2 1 1 3 688 1 1 5 SER HB3 H 4.723 0.972 -2.829 1.00 . A A . 5 SER HB3 1 1 3 689 1 1 5 SER HG H 4.258 2.353 -4.593 1.00 . A A . 5 SER HG 1 1 3 690 1 1 5 SER N N 5.396 0.157 -5.985 1.00 . A A . 5 SER N 1 1 3 691 1 1 5 SER O O 6.625 -1.337 -2.959 1.00 . A A . 5 SER O 1 1 3 692 1 1 5 SER OG O 3.708 1.556 -4.499 1.00 . A A . 5 SER OG 1 1 3 693 1 1 6 LEU C C 7.296 -3.911 -3.615 1.00 . A A . 6 LEU C 1 1 3 694 1 1 6 LEU CA C 6.128 -3.643 -4.570 1.00 . A A . 6 LEU CA 1 1 3 695 1 1 6 LEU CB C 6.296 -4.487 -5.836 1.00 . A A . 6 LEU CB 1 1 3 696 1 1 6 LEU CD1 C 5.169 -6.540 -4.929 1.00 . A A . 6 LEU CD1 1 1 3 697 1 1 6 LEU CD2 C 6.658 -6.715 -6.927 1.00 . A A . 6 LEU CD2 1 1 3 698 1 1 6 LEU CG C 6.417 -5.998 -5.607 1.00 . A A . 6 LEU CG 1 1 3 699 1 1 6 LEU H H 5.713 -2.012 -5.857 1.00 . A A . 6 LEU H 1 1 3 700 1 1 6 LEU HA H 5.217 -3.951 -4.080 1.00 . A A . 6 LEU HA 1 1 3 701 1 1 6 LEU HB2 H 5.444 -4.309 -6.476 1.00 . A A . 6 LEU HB2 1 1 3 702 1 1 6 LEU HB3 H 7.185 -4.152 -6.348 1.00 . A A . 6 LEU HB3 1 1 3 703 1 1 6 LEU HD11 H 5.042 -6.058 -3.972 1.00 . A A . 6 LEU HD11 1 1 3 704 1 1 6 LEU HD12 H 5.273 -7.605 -4.785 1.00 . A A . 6 LEU HD12 1 1 3 705 1 1 6 LEU HD13 H 4.308 -6.343 -5.550 1.00 . A A . 6 LEU HD13 1 1 3 706 1 1 6 LEU HD21 H 5.814 -6.555 -7.582 1.00 . A A . 6 LEU HD21 1 1 3 707 1 1 6 LEU HD22 H 6.778 -7.774 -6.747 1.00 . A A . 6 LEU HD22 1 1 3 708 1 1 6 LEU HD23 H 7.551 -6.325 -7.390 1.00 . A A . 6 LEU HD23 1 1 3 709 1 1 6 LEU HG H 7.259 -6.193 -4.960 1.00 . A A . 6 LEU HG 1 1 3 710 1 1 6 LEU N N 5.968 -2.225 -4.934 1.00 . A A . 6 LEU N 1 1 3 711 1 1 6 LEU O O 7.124 -4.621 -2.626 1.00 . A A . 6 LEU O 1 1 3 712 1 1 7 GLY C C 9.306 -3.153 -1.579 1.00 . A A . 7 GLY C 1 1 3 713 1 1 7 GLY CA C 9.614 -3.550 -3.015 1.00 . A A . 7 GLY CA 1 1 3 714 1 1 7 GLY H H 8.573 -2.827 -4.725 1.00 . A A . 7 GLY H 1 1 3 715 1 1 7 GLY HA2 H 9.904 -4.590 -3.037 1.00 . A A . 7 GLY HA2 1 1 3 716 1 1 7 GLY HA3 H 10.437 -2.950 -3.375 1.00 . A A . 7 GLY HA3 1 1 3 717 1 1 7 GLY N N 8.472 -3.361 -3.901 1.00 . A A . 7 GLY N 1 1 3 718 1 1 7 GLY O O 9.607 -3.887 -0.635 1.00 . A A . 7 GLY O 1 1 3 719 1 1 8 ARG C C 7.077 -2.237 0.434 1.00 . A A . 8 ARG C 1 1 3 720 1 1 8 ARG CA C 8.283 -1.487 -0.121 1.00 . A A . 8 ARG CA 1 1 3 721 1 1 8 ARG CB C 7.963 0.004 -0.226 1.00 . A A . 8 ARG CB 1 1 3 722 1 1 8 ARG CD C 10.068 0.903 0.784 1.00 . A A . 8 ARG CD 1 1 3 723 1 1 8 ARG CG C 9.186 0.874 -0.451 1.00 . A A . 8 ARG CG 1 1 3 724 1 1 8 ARG CZ C 9.892 2.022 2.979 1.00 . A A . 8 ARG CZ 1 1 3 725 1 1 8 ARG H H 8.435 -1.489 -2.229 1.00 . A A . 8 ARG H 1 1 3 726 1 1 8 ARG HA H 9.118 -1.619 0.550 1.00 . A A . 8 ARG HA 1 1 3 727 1 1 8 ARG HB2 H 7.282 0.159 -1.050 1.00 . A A . 8 ARG HB2 1 1 3 728 1 1 8 ARG HB3 H 7.486 0.322 0.689 1.00 . A A . 8 ARG HB3 1 1 3 729 1 1 8 ARG HD2 H 10.421 -0.099 0.988 1.00 . A A . 8 ARG HD2 1 1 3 730 1 1 8 ARG HD3 H 10.911 1.552 0.598 1.00 . A A . 8 ARG HD3 1 1 3 731 1 1 8 ARG HE H 8.355 1.267 1.945 1.00 . A A . 8 ARG HE 1 1 3 732 1 1 8 ARG HG2 H 9.752 0.477 -1.280 1.00 . A A . 8 ARG HG2 1 1 3 733 1 1 8 ARG HG3 H 8.865 1.881 -0.678 1.00 . A A . 8 ARG HG3 1 1 3 734 1 1 8 ARG HH11 H 11.806 1.783 2.329 1.00 . A A . 8 ARG HH11 1 1 3 735 1 1 8 ARG HH12 H 11.630 2.649 3.831 1.00 . A A . 8 ARG HH12 1 1 3 736 1 1 8 ARG HH21 H 8.126 2.364 3.908 1.00 . A A . 8 ARG HH21 1 1 3 737 1 1 8 ARG HH22 H 9.529 2.974 4.738 1.00 . A A . 8 ARG HH22 1 1 3 738 1 1 8 ARG N N 8.669 -2.005 -1.427 1.00 . A A . 8 ARG N 1 1 3 739 1 1 8 ARG NE N 9.334 1.395 1.946 1.00 . A A . 8 ARG NE 1 1 3 740 1 1 8 ARG NH1 N 11.213 2.159 3.054 1.00 . A A . 8 ARG NH1 1 1 3 741 1 1 8 ARG NH2 N 9.121 2.487 3.952 1.00 . A A . 8 ARG NH2 1 1 3 742 1 1 8 ARG O O 6.909 -2.347 1.648 1.00 . A A . 8 ARG O 1 1 3 743 1 1 9 LYS C C 5.430 -4.841 0.527 1.00 . A A . 9 LYS C 1 1 3 744 1 1 9 LYS CA C 5.047 -3.482 -0.057 1.00 . A A . 9 LYS CA 1 1 3 745 1 1 9 LYS CB C 4.098 -3.647 -1.246 1.00 . A A . 9 LYS CB 1 1 3 746 1 1 9 LYS CD C 1.752 -4.108 -2.021 1.00 . A A . 9 LYS CD 1 1 3 747 1 1 9 LYS CE C 0.369 -4.588 -1.614 1.00 . A A . 9 LYS CE 1 1 3 748 1 1 9 LYS CG C 2.730 -4.185 -0.860 1.00 . A A . 9 LYS CG 1 1 3 749 1 1 9 LYS H H 6.433 -2.637 -1.418 1.00 . A A . 9 LYS H 1 1 3 750 1 1 9 LYS HA H 4.551 -2.902 0.706 1.00 . A A . 9 LYS HA 1 1 3 751 1 1 9 LYS HB2 H 3.964 -2.686 -1.721 1.00 . A A . 9 LYS HB2 1 1 3 752 1 1 9 LYS HB3 H 4.542 -4.330 -1.957 1.00 . A A . 9 LYS HB3 1 1 3 753 1 1 9 LYS HD2 H 1.683 -3.083 -2.356 1.00 . A A . 9 LYS HD2 1 1 3 754 1 1 9 LYS HD3 H 2.117 -4.729 -2.826 1.00 . A A . 9 LYS HD3 1 1 3 755 1 1 9 LYS HE2 H 0.431 -5.629 -1.331 1.00 . A A . 9 LYS HE2 1 1 3 756 1 1 9 LYS HE3 H 0.036 -4.005 -0.768 1.00 . A A . 9 LYS HE3 1 1 3 757 1 1 9 LYS HG2 H 2.834 -5.218 -0.560 1.00 . A A . 9 LYS HG2 1 1 3 758 1 1 9 LYS HG3 H 2.343 -3.606 -0.035 1.00 . A A . 9 LYS HG3 1 1 3 759 1 1 9 LYS HZ1 H -1.535 -4.852 -2.431 1.00 . A A . 9 LYS HZ1 1 1 3 760 1 1 9 LYS HZ2 H -0.281 -4.946 -3.569 1.00 . A A . 9 LYS HZ2 1 1 3 761 1 1 9 LYS HZ3 H -0.754 -3.443 -2.949 1.00 . A A . 9 LYS HZ3 1 1 3 762 1 1 9 LYS N N 6.240 -2.751 -0.461 1.00 . A A . 9 LYS N 1 1 3 763 1 1 9 LYS NZ N -0.617 -4.446 -2.716 1.00 . A A . 9 LYS NZ 1 1 3 764 1 1 9 LYS O O 4.855 -5.286 1.523 1.00 . A A . 9 LYS O 1 1 3 765 1 1 10 ILE C C 7.662 -6.560 1.729 1.00 . A A . 10 ILE C 1 1 3 766 1 1 10 ILE CA C 6.932 -6.760 0.407 1.00 . A A . 10 ILE CA 1 1 3 767 1 1 10 ILE CB C 7.883 -7.424 -0.618 1.00 . A A . 10 ILE CB 1 1 3 768 1 1 10 ILE CD1 C 5.932 -8.655 -1.700 1.00 . A A . 10 ILE CD1 1 1 3 769 1 1 10 ILE CG1 C 7.129 -7.750 -1.908 1.00 . A A . 10 ILE CG1 1 1 3 770 1 1 10 ILE CG2 C 8.515 -8.688 -0.051 1.00 . A A . 10 ILE CG2 1 1 3 771 1 1 10 ILE H H 6.807 -5.099 -0.903 1.00 . A A . 10 ILE H 1 1 3 772 1 1 10 ILE HA H 6.090 -7.418 0.568 1.00 . A A . 10 ILE HA 1 1 3 773 1 1 10 ILE HB H 8.675 -6.727 -0.843 1.00 . A A . 10 ILE HB 1 1 3 774 1 1 10 ILE HD11 H 5.220 -8.168 -1.048 1.00 . A A . 10 ILE HD11 1 1 3 775 1 1 10 ILE HD12 H 6.255 -9.583 -1.250 1.00 . A A . 10 ILE HD12 1 1 3 776 1 1 10 ILE HD13 H 5.466 -8.860 -2.652 1.00 . A A . 10 ILE HD13 1 1 3 777 1 1 10 ILE HG12 H 6.776 -6.832 -2.353 1.00 . A A . 10 ILE HG12 1 1 3 778 1 1 10 ILE HG13 H 7.804 -8.243 -2.594 1.00 . A A . 10 ILE HG13 1 1 3 779 1 1 10 ILE HG21 H 9.197 -9.105 -0.778 1.00 . A A . 10 ILE HG21 1 1 3 780 1 1 10 ILE HG22 H 7.741 -9.407 0.169 1.00 . A A . 10 ILE HG22 1 1 3 781 1 1 10 ILE HG23 H 9.054 -8.449 0.854 1.00 . A A . 10 ILE HG23 1 1 3 782 1 1 10 ILE N N 6.419 -5.486 -0.087 1.00 . A A . 10 ILE N 1 1 3 783 1 1 10 ILE O O 7.634 -7.428 2.603 1.00 . A A . 10 ILE O 1 1 3 784 1 1 11 LEU C C 8.046 -5.055 4.283 1.00 . A A . 11 LEU C 1 1 3 785 1 1 11 LEU CA C 9.002 -5.037 3.093 1.00 . A A . 11 LEU CA 1 1 3 786 1 1 11 LEU CB C 9.656 -3.654 2.928 1.00 . A A . 11 LEU CB 1 1 3 787 1 1 11 LEU CD1 C 11.632 -2.218 3.481 1.00 . A A . 11 LEU CD1 1 1 3 788 1 1 11 LEU CD2 C 9.899 -2.619 5.216 1.00 . A A . 11 LEU CD2 1 1 3 789 1 1 11 LEU CG C 10.636 -3.227 4.030 1.00 . A A . 11 LEU CG 1 1 3 790 1 1 11 LEU H H 8.277 -4.758 1.127 1.00 . A A . 11 LEU H 1 1 3 791 1 1 11 LEU HA H 9.772 -5.775 3.255 1.00 . A A . 11 LEU HA 1 1 3 792 1 1 11 LEU HB2 H 10.187 -3.646 1.987 1.00 . A A . 11 LEU HB2 1 1 3 793 1 1 11 LEU HB3 H 8.868 -2.917 2.877 1.00 . A A . 11 LEU HB3 1 1 3 794 1 1 11 LEU HD11 H 12.303 -1.910 4.270 1.00 . A A . 11 LEU HD11 1 1 3 795 1 1 11 LEU HD12 H 11.101 -1.356 3.105 1.00 . A A . 11 LEU HD12 1 1 3 796 1 1 11 LEU HD13 H 12.199 -2.670 2.682 1.00 . A A . 11 LEU HD13 1 1 3 797 1 1 11 LEU HD21 H 10.607 -2.383 5.997 1.00 . A A . 11 LEU HD21 1 1 3 798 1 1 11 LEU HD22 H 9.173 -3.325 5.589 1.00 . A A . 11 LEU HD22 1 1 3 799 1 1 11 LEU HD23 H 9.395 -1.716 4.902 1.00 . A A . 11 LEU HD23 1 1 3 800 1 1 11 LEU HG H 11.184 -4.090 4.376 1.00 . A A . 11 LEU HG 1 1 3 801 1 1 11 LEU N N 8.289 -5.394 1.871 1.00 . A A . 11 LEU N 1 1 3 802 1 1 11 LEU O O 8.427 -5.428 5.392 1.00 . A A . 11 LEU O 1 1 3 803 1 1 12 ARG C C 5.457 -6.118 5.502 1.00 . A A . 12 ARG C 1 1 3 804 1 1 12 ARG CA C 5.770 -4.684 5.070 1.00 . A A . 12 ARG CA 1 1 3 805 1 1 12 ARG CB C 4.495 -4.001 4.567 1.00 . A A . 12 ARG CB 1 1 3 806 1 1 12 ARG CD C 2.023 -3.643 4.887 1.00 . A A . 12 ARG CD 1 1 3 807 1 1 12 ARG CG C 3.293 -4.233 5.468 1.00 . A A . 12 ARG CG 1 1 3 808 1 1 12 ARG CZ C -0.402 -4.066 5.046 1.00 . A A . 12 ARG CZ 1 1 3 809 1 1 12 ARG H H 6.571 -4.345 3.138 1.00 . A A . 12 ARG H 1 1 3 810 1 1 12 ARG HA H 6.146 -4.138 5.923 1.00 . A A . 12 ARG HA 1 1 3 811 1 1 12 ARG HB2 H 4.670 -2.938 4.500 1.00 . A A . 12 ARG HB2 1 1 3 812 1 1 12 ARG HB3 H 4.259 -4.382 3.585 1.00 . A A . 12 ARG HB3 1 1 3 813 1 1 12 ARG HD2 H 2.031 -2.574 5.046 1.00 . A A . 12 ARG HD2 1 1 3 814 1 1 12 ARG HD3 H 1.991 -3.851 3.828 1.00 . A A . 12 ARG HD3 1 1 3 815 1 1 12 ARG HE H 0.971 -4.764 6.323 1.00 . A A . 12 ARG HE 1 1 3 816 1 1 12 ARG HG2 H 3.154 -5.296 5.598 1.00 . A A . 12 ARG HG2 1 1 3 817 1 1 12 ARG HG3 H 3.485 -3.776 6.428 1.00 . A A . 12 ARG HG3 1 1 3 818 1 1 12 ARG HH11 H 0.121 -2.777 3.575 1.00 . A A . 12 ARG HH11 1 1 3 819 1 1 12 ARG HH12 H -1.570 -3.176 3.643 1.00 . A A . 12 ARG HH12 1 1 3 820 1 1 12 ARG HH21 H -1.237 -5.296 6.430 1.00 . A A . 12 ARG HH21 1 1 3 821 1 1 12 ARG HH22 H -2.344 -4.614 5.272 1.00 . A A . 12 ARG HH22 1 1 3 822 1 1 12 ARG N N 6.801 -4.662 4.038 1.00 . A A . 12 ARG N 1 1 3 823 1 1 12 ARG NE N 0.834 -4.210 5.519 1.00 . A A . 12 ARG NE 1 1 3 824 1 1 12 ARG NH1 N -0.632 -3.274 4.007 1.00 . A A . 12 ARG NH1 1 1 3 825 1 1 12 ARG NH2 N -1.409 -4.704 5.629 1.00 . A A . 12 ARG NH2 1 1 3 826 1 1 12 ARG O O 5.246 -6.380 6.688 1.00 . A A . 12 ARG O 1 1 3 827 1 1 13 ALA C C 3.777 -8.598 5.471 1.00 . A A . 13 ALA C 1 1 3 828 1 1 13 ALA CA C 5.117 -8.440 4.764 1.00 . A A . 13 ALA CA 1 1 3 829 1 1 13 ALA CB C 6.228 -9.110 5.561 1.00 . A A . 13 ALA CB 1 1 3 830 1 1 13 ALA H H 5.633 -6.742 3.611 1.00 . A A . 13 ALA H 1 1 3 831 1 1 13 ALA HA H 5.054 -8.931 3.799 1.00 . A A . 13 ALA HA 1 1 3 832 1 1 13 ALA HB1 H 6.299 -8.650 6.535 1.00 . A A . 13 ALA HB1 1 1 3 833 1 1 13 ALA HB2 H 7.167 -8.996 5.038 1.00 . A A . 13 ALA HB2 1 1 3 834 1 1 13 ALA HB3 H 6.005 -10.161 5.675 1.00 . A A . 13 ALA HB3 1 1 3 835 1 1 13 ALA N N 5.428 -7.029 4.525 1.00 . A A . 13 ALA N 1 1 3 836 1 1 13 ALA O O 3.706 -9.048 6.616 1.00 . A A . 13 ALA O 1 1 3 837 1 1 14 TRP C C 0.949 -9.711 5.610 1.00 . A A . 14 TRP C 1 1 3 838 1 1 14 TRP CA C 1.372 -8.268 5.330 1.00 . A A . 14 TRP CA 1 1 3 839 1 1 14 TRP CB C 0.377 -7.581 4.380 1.00 . A A . 14 TRP CB 1 1 3 840 1 1 14 TRP CD1 C -0.977 -8.969 2.702 1.00 . A A . 14 TRP CD1 1 1 3 841 1 1 14 TRP CD2 C 1.095 -8.472 2.004 1.00 . A A . 14 TRP CD2 1 1 3 842 1 1 14 TRP CE2 C 0.456 -9.237 1.011 1.00 . A A . 14 TRP CE2 1 1 3 843 1 1 14 TRP CE3 C 2.408 -8.045 1.780 1.00 . A A . 14 TRP CE3 1 1 3 844 1 1 14 TRP CG C 0.158 -8.311 3.082 1.00 . A A . 14 TRP CG 1 1 3 845 1 1 14 TRP CH2 C 2.367 -9.155 -0.370 1.00 . A A . 14 TRP CH2 1 1 3 846 1 1 14 TRP CZ2 C 1.086 -9.585 -0.180 1.00 . A A . 14 TRP CZ2 1 1 3 847 1 1 14 TRP CZ3 C 3.028 -8.392 0.596 1.00 . A A . 14 TRP CZ3 1 1 3 848 1 1 14 TRP H H 2.845 -7.861 3.873 1.00 . A A . 14 TRP H 1 1 3 849 1 1 14 TRP HA H 1.387 -7.728 6.266 1.00 . A A . 14 TRP HA 1 1 3 850 1 1 14 TRP HB2 H -0.578 -7.494 4.876 1.00 . A A . 14 TRP HB2 1 1 3 851 1 1 14 TRP HB3 H 0.744 -6.592 4.147 1.00 . A A . 14 TRP HB3 1 1 3 852 1 1 14 TRP HD1 H -1.874 -9.034 3.302 1.00 . A A . 14 TRP HD1 1 1 3 853 1 1 14 TRP HE1 H -1.484 -10.050 0.973 1.00 . A A . 14 TRP HE1 1 1 3 854 1 1 14 TRP HE3 H 2.935 -7.454 2.514 1.00 . A A . 14 TRP HE3 1 1 3 855 1 1 14 TRP HH2 H 2.893 -9.404 -1.279 1.00 . A A . 14 TRP HH2 1 1 3 856 1 1 14 TRP HZ2 H 0.593 -10.173 -0.933 1.00 . A A . 14 TRP HZ2 1 1 3 857 1 1 14 TRP HZ3 H 4.041 -8.076 0.409 1.00 . A A . 14 TRP HZ3 1 1 3 858 1 1 14 TRP N N 2.717 -8.211 4.778 1.00 . A A . 14 TRP N 1 1 3 859 1 1 14 TRP NE1 N -0.805 -9.527 1.461 1.00 . A A . 14 TRP NE1 1 1 3 860 1 1 14 TRP O O 0.266 -9.982 6.594 1.00 . A A . 14 TRP O 1 1 3 861 1 1 15 LYS C C 2.355 -12.860 4.998 1.00 . A A . 15 LYS C 1 1 3 862 1 1 15 LYS CA C 1.067 -12.049 4.929 1.00 . A A . 15 LYS CA 1 1 3 863 1 1 15 LYS CB C 0.200 -12.590 3.790 1.00 . A A . 15 LYS CB 1 1 3 864 1 1 15 LYS CD C 0.323 -13.491 1.442 1.00 . A A . 15 LYS CD 1 1 3 865 1 1 15 LYS CE C -1.176 -13.375 1.232 1.00 . A A . 15 LYS CE 1 1 3 866 1 1 15 LYS CG C 0.846 -12.453 2.420 1.00 . A A . 15 LYS CG 1 1 3 867 1 1 15 LYS H H 1.847 -10.343 3.944 1.00 . A A . 15 LYS H 1 1 3 868 1 1 15 LYS HA H 0.533 -12.158 5.862 1.00 . A A . 15 LYS HA 1 1 3 869 1 1 15 LYS HB2 H 0.001 -13.636 3.968 1.00 . A A . 15 LYS HB2 1 1 3 870 1 1 15 LYS HB3 H -0.736 -12.051 3.776 1.00 . A A . 15 LYS HB3 1 1 3 871 1 1 15 LYS HD2 H 0.817 -13.354 0.492 1.00 . A A . 15 LYS HD2 1 1 3 872 1 1 15 LYS HD3 H 0.548 -14.475 1.826 1.00 . A A . 15 LYS HD3 1 1 3 873 1 1 15 LYS HE2 H -1.669 -13.446 2.190 1.00 . A A . 15 LYS HE2 1 1 3 874 1 1 15 LYS HE3 H -1.390 -12.415 0.785 1.00 . A A . 15 LYS HE3 1 1 3 875 1 1 15 LYS HG2 H 0.632 -11.470 2.030 1.00 . A A . 15 LYS HG2 1 1 3 876 1 1 15 LYS HG3 H 1.915 -12.575 2.523 1.00 . A A . 15 LYS HG3 1 1 3 877 1 1 15 LYS HZ1 H -2.715 -14.376 0.236 1.00 . A A . 15 LYS HZ1 1 1 3 878 1 1 15 LYS HZ2 H -1.458 -15.388 0.747 1.00 . A A . 15 LYS HZ2 1 1 3 879 1 1 15 LYS HZ3 H -1.241 -14.377 -0.599 1.00 . A A . 15 LYS HZ3 1 1 3 880 1 1 15 LYS N N 1.354 -10.629 4.739 1.00 . A A . 15 LYS N 1 1 3 881 1 1 15 LYS NZ N -1.685 -14.450 0.343 1.00 . A A . 15 LYS NZ 1 1 3 882 1 1 15 LYS O O 2.338 -14.029 5.380 1.00 . A A . 15 LYS O 1 1 3 883 1 1 16 LYS C C 4.745 -14.067 3.557 1.00 . A A . 16 LYS C 1 1 3 884 1 1 16 LYS CA C 4.770 -12.889 4.543 1.00 . A A . 16 LYS CA 1 1 3 885 1 1 16 LYS CB C 5.186 -13.361 5.945 1.00 . A A . 16 LYS CB 1 1 3 886 1 1 16 LYS CD C 7.514 -12.438 5.754 1.00 . A A . 16 LYS CD 1 1 3 887 1 1 16 LYS CE C 8.991 -12.694 5.989 1.00 . A A . 16 LYS CE 1 1 3 888 1 1 16 LYS CG C 6.672 -13.659 6.083 1.00 . A A . 16 LYS CG 1 1 3 889 1 1 16 LYS H H 3.400 -11.292 4.338 1.00 . A A . 16 LYS H 1 1 3 890 1 1 16 LYS HA H 5.488 -12.161 4.191 1.00 . A A . 16 LYS HA 1 1 3 891 1 1 16 LYS HB2 H 4.930 -12.594 6.661 1.00 . A A . 16 LYS HB2 1 1 3 892 1 1 16 LYS HB3 H 4.638 -14.261 6.186 1.00 . A A . 16 LYS HB3 1 1 3 893 1 1 16 LYS HD2 H 7.366 -12.179 4.716 1.00 . A A . 16 LYS HD2 1 1 3 894 1 1 16 LYS HD3 H 7.197 -11.617 6.380 1.00 . A A . 16 LYS HD3 1 1 3 895 1 1 16 LYS HE2 H 9.287 -13.561 5.417 1.00 . A A . 16 LYS HE2 1 1 3 896 1 1 16 LYS HE3 H 9.551 -11.833 5.652 1.00 . A A . 16 LYS HE3 1 1 3 897 1 1 16 LYS HG2 H 6.877 -13.959 7.100 1.00 . A A . 16 LYS HG2 1 1 3 898 1 1 16 LYS HG3 H 6.935 -14.461 5.408 1.00 . A A . 16 LYS HG3 1 1 3 899 1 1 16 LYS HZ1 H 9.026 -12.101 7.992 1.00 . A A . 16 LYS HZ1 1 1 3 900 1 1 16 LYS HZ2 H 10.304 -13.129 7.557 1.00 . A A . 16 LYS HZ2 1 1 3 901 1 1 16 LYS HZ3 H 8.746 -13.759 7.772 1.00 . A A . 16 LYS HZ3 1 1 3 902 1 1 16 LYS N N 3.462 -12.231 4.595 1.00 . A A . 16 LYS N 1 1 3 903 1 1 16 LYS NZ N 9.288 -12.937 7.425 1.00 . A A . 16 LYS NZ 1 1 3 904 1 1 16 LYS O O 5.507 -15.022 3.693 1.00 . A A . 16 LYS O 1 1 3 905 1 1 17 TYR C C 3.083 -16.269 2.133 1.00 . A A . 17 TYR C 1 1 3 906 1 1 17 TYR CA C 3.693 -15.004 1.534 1.00 . A A . 17 TYR CA 1 1 3 907 1 1 17 TYR CB C 5.004 -15.327 0.806 1.00 . A A . 17 TYR CB 1 1 3 908 1 1 17 TYR CD1 C 4.800 -14.374 -1.512 1.00 . A A . 17 TYR CD1 1 1 3 909 1 1 17 TYR CD2 C 6.282 -13.295 0.010 1.00 . A A . 17 TYR CD2 1 1 3 910 1 1 17 TYR CE1 C 5.122 -13.453 -2.487 1.00 . A A . 17 TYR CE1 1 1 3 911 1 1 17 TYR CE2 C 6.610 -12.368 -0.962 1.00 . A A . 17 TYR CE2 1 1 3 912 1 1 17 TYR CG C 5.372 -14.311 -0.250 1.00 . A A . 17 TYR CG 1 1 3 913 1 1 17 TYR CZ C 6.026 -12.453 -2.210 1.00 . A A . 17 TYR CZ 1 1 3 914 1 1 17 TYR H H 3.338 -13.150 2.484 1.00 . A A . 17 TYR H 1 1 3 915 1 1 17 TYR HA H 2.994 -14.614 0.809 1.00 . A A . 17 TYR HA 1 1 3 916 1 1 17 TYR HB2 H 5.808 -15.362 1.526 1.00 . A A . 17 TYR HB2 1 1 3 917 1 1 17 TYR HB3 H 4.915 -16.291 0.326 1.00 . A A . 17 TYR HB3 1 1 3 918 1 1 17 TYR HD1 H 4.089 -15.158 -1.728 1.00 . A A . 17 TYR HD1 1 1 3 919 1 1 17 TYR HD2 H 6.738 -13.233 0.988 1.00 . A A . 17 TYR HD2 1 1 3 920 1 1 17 TYR HE1 H 4.666 -13.521 -3.464 1.00 . A A . 17 TYR HE1 1 1 3 921 1 1 17 TYR HE2 H 7.318 -11.583 -0.743 1.00 . A A . 17 TYR HE2 1 1 3 922 1 1 17 TYR HH H 7.308 -11.383 -3.172 1.00 . A A . 17 TYR HH 1 1 3 923 1 1 17 TYR N N 3.878 -13.959 2.546 1.00 . A A . 17 TYR N 1 1 3 924 1 1 17 TYR O O 3.747 -17.034 2.837 1.00 . A A . 17 TYR O 1 1 3 925 1 1 17 TYR OH O 6.349 -11.536 -3.184 1.00 . A A . 17 TYR OH 1 1 3 926 1 1 18 GLY C C -0.208 -17.829 1.632 1.00 . A A . 18 GLY C 1 1 3 927 1 1 18 GLY CA C 1.096 -17.624 2.360 1.00 . A A . 18 GLY CA 1 1 3 928 1 1 18 GLY H H 1.340 -15.852 1.253 1.00 . A A . 18 GLY H 1 1 3 929 1 1 18 GLY HA2 H 1.710 -18.505 2.246 1.00 . A A . 18 GLY HA2 1 1 3 930 1 1 18 GLY HA3 H 0.892 -17.467 3.408 1.00 . A A . 18 GLY HA3 1 1 3 931 1 1 18 GLY N N 1.809 -16.480 1.839 1.00 . A A . 18 GLY N 1 1 3 932 1 1 18 GLY O O -0.707 -18.971 1.598 1.00 . A A . 18 GLY O 1 1 3 933 1 1 18 GLY OXT O -0.732 -16.844 1.068 1.00 . A A . 18 GLY OXT 1 1 4 934 1 1 1 GLY C C 0.075 1.387 -3.606 1.00 . A A . 1 GLY C 1 1 4 935 1 1 1 GLY CA C 0.484 1.602 -2.166 1.00 . A A . 1 GLY CA 1 1 4 936 1 1 1 GLY H1 H -1.022 2.989 -1.781 1.00 . A A . 1 GLY H1 1 1 4 937 1 1 1 GLY H2 H -0.301 2.349 -0.387 1.00 . A A . 1 GLY H2 1 1 4 938 1 1 1 GLY H3 H -1.393 1.409 -1.283 1.00 . A A . 1 GLY H3 1 1 4 939 1 1 1 GLY HA2 H 1.302 2.305 -2.134 1.00 . A A . 1 GLY HA2 1 1 4 940 1 1 1 GLY HA3 H 0.814 0.659 -1.752 1.00 . A A . 1 GLY HA3 1 1 4 941 1 1 1 GLY N N -0.635 2.122 -1.347 1.00 . A A . 1 GLY N 1 1 4 942 1 1 1 GLY O O -0.683 2.180 -4.166 1.00 . A A . 1 GLY O 1 1 4 943 1 1 2 GLY C C 1.275 -0.866 -6.248 1.00 . A A . 2 GLY C 1 1 4 944 1 1 2 GLY CA C 0.248 0.030 -5.590 1.00 . A A . 2 GLY CA 1 1 4 945 1 1 2 GLY H H 1.151 -0.294 -3.709 1.00 . A A . 2 GLY H 1 1 4 946 1 1 2 GLY HA2 H -0.716 -0.454 -5.631 1.00 . A A . 2 GLY HA2 1 1 4 947 1 1 2 GLY HA3 H 0.195 0.962 -6.135 1.00 . A A . 2 GLY HA3 1 1 4 948 1 1 2 GLY N N 0.568 0.313 -4.208 1.00 . A A . 2 GLY N 1 1 4 949 1 1 2 GLY O O 1.774 -1.806 -5.627 1.00 . A A . 2 GLY O 1 1 4 950 1 1 3 LEU C C 3.929 -1.334 -7.801 1.00 . A A . 3 LEU C 1 1 4 951 1 1 3 LEU CA C 2.486 -1.398 -8.296 1.00 . A A . 3 LEU CA 1 1 4 952 1 1 3 LEU CB C 2.412 -0.980 -9.767 1.00 . A A . 3 LEU CB 1 1 4 953 1 1 3 LEU CD1 C 1.053 -0.637 -11.850 1.00 . A A . 3 LEU CD1 1 1 4 954 1 1 3 LEU CD2 C 0.577 -2.584 -10.361 1.00 . A A . 3 LEU CD2 1 1 4 955 1 1 3 LEU CG C 1.031 -1.133 -10.412 1.00 . A A . 3 LEU CG 1 1 4 956 1 1 3 LEU H H 1.245 0.273 -7.889 1.00 . A A . 3 LEU H 1 1 4 957 1 1 3 LEU HA H 2.137 -2.415 -8.208 1.00 . A A . 3 LEU HA 1 1 4 958 1 1 3 LEU HB2 H 2.710 0.055 -9.840 1.00 . A A . 3 LEU HB2 1 1 4 959 1 1 3 LEU HB3 H 3.113 -1.581 -10.327 1.00 . A A . 3 LEU HB3 1 1 4 960 1 1 3 LEU HD11 H 1.376 0.393 -11.872 1.00 . A A . 3 LEU HD11 1 1 4 961 1 1 3 LEU HD12 H 0.063 -0.712 -12.271 1.00 . A A . 3 LEU HD12 1 1 4 962 1 1 3 LEU HD13 H 1.736 -1.242 -12.428 1.00 . A A . 3 LEU HD13 1 1 4 963 1 1 3 LEU HD21 H 0.534 -2.913 -9.333 1.00 . A A . 3 LEU HD21 1 1 4 964 1 1 3 LEU HD22 H 1.279 -3.198 -10.906 1.00 . A A . 3 LEU HD22 1 1 4 965 1 1 3 LEU HD23 H -0.401 -2.671 -10.809 1.00 . A A . 3 LEU HD23 1 1 4 966 1 1 3 LEU HG H 0.315 -0.538 -9.863 1.00 . A A . 3 LEU HG 1 1 4 967 1 1 3 LEU N N 1.603 -0.558 -7.495 1.00 . A A . 3 LEU N 1 1 4 968 1 1 3 LEU O O 4.495 -2.346 -7.389 1.00 . A A . 3 LEU O 1 1 4 969 1 1 4 ARG C C 6.083 -0.109 -5.920 1.00 . A A . 4 ARG C 1 1 4 970 1 1 4 ARG CA C 5.913 0.032 -7.426 1.00 . A A . 4 ARG CA 1 1 4 971 1 1 4 ARG CB C 6.476 1.382 -7.898 1.00 . A A . 4 ARG CB 1 1 4 972 1 1 4 ARG CD C 4.461 2.896 -8.121 1.00 . A A . 4 ARG CD 1 1 4 973 1 1 4 ARG CG C 5.754 2.618 -7.366 1.00 . A A . 4 ARG CG 1 1 4 974 1 1 4 ARG CZ C 4.427 3.927 -10.372 1.00 . A A . 4 ARG CZ 1 1 4 975 1 1 4 ARG H H 3.998 0.637 -8.110 1.00 . A A . 4 ARG H 1 1 4 976 1 1 4 ARG HA H 6.477 -0.757 -7.902 1.00 . A A . 4 ARG HA 1 1 4 977 1 1 4 ARG HB2 H 7.510 1.448 -7.593 1.00 . A A . 4 ARG HB2 1 1 4 978 1 1 4 ARG HB3 H 6.435 1.410 -8.978 1.00 . A A . 4 ARG HB3 1 1 4 979 1 1 4 ARG HD2 H 3.739 2.136 -7.864 1.00 . A A . 4 ARG HD2 1 1 4 980 1 1 4 ARG HD3 H 4.085 3.864 -7.825 1.00 . A A . 4 ARG HD3 1 1 4 981 1 1 4 ARG HE H 4.987 2.050 -9.976 1.00 . A A . 4 ARG HE 1 1 4 982 1 1 4 ARG HG2 H 5.521 2.463 -6.323 1.00 . A A . 4 ARG HG2 1 1 4 983 1 1 4 ARG HG3 H 6.408 3.473 -7.464 1.00 . A A . 4 ARG HG3 1 1 4 984 1 1 4 ARG HH11 H 3.840 5.180 -8.889 1.00 . A A . 4 ARG HH11 1 1 4 985 1 1 4 ARG HH12 H 3.822 5.861 -10.489 1.00 . A A . 4 ARG HH12 1 1 4 986 1 1 4 ARG HH21 H 4.950 2.928 -12.054 1.00 . A A . 4 ARG HH21 1 1 4 987 1 1 4 ARG HH22 H 4.475 4.588 -12.293 1.00 . A A . 4 ARG HH22 1 1 4 988 1 1 4 ARG N N 4.513 -0.141 -7.819 1.00 . A A . 4 ARG N 1 1 4 989 1 1 4 ARG NE N 4.660 2.888 -9.570 1.00 . A A . 4 ARG NE 1 1 4 990 1 1 4 ARG NH1 N 3.995 5.078 -9.876 1.00 . A A . 4 ARG NH1 1 1 4 991 1 1 4 ARG NH2 N 4.628 3.804 -11.676 1.00 . A A . 4 ARG NH2 1 1 4 992 1 1 4 ARG O O 7.180 -0.362 -5.427 1.00 . A A . 4 ARG O 1 1 4 993 1 1 5 SER C C 5.122 -1.520 -3.307 1.00 . A A . 5 SER C 1 1 4 994 1 1 5 SER CA C 4.986 -0.063 -3.751 1.00 . A A . 5 SER CA 1 1 4 995 1 1 5 SER CB C 3.702 0.540 -3.194 1.00 . A A . 5 SER CB 1 1 4 996 1 1 5 SER H H 4.143 0.247 -5.658 1.00 . A A . 5 SER H 1 1 4 997 1 1 5 SER HA H 5.828 0.498 -3.377 1.00 . A A . 5 SER HA 1 1 4 998 1 1 5 SER HB2 H 2.867 -0.096 -3.447 1.00 . A A . 5 SER HB2 1 1 4 999 1 1 5 SER HB3 H 3.780 0.622 -2.121 1.00 . A A . 5 SER HB3 1 1 4 1000 1 1 5 SER HG H 4.281 2.372 -3.634 1.00 . A A . 5 SER HG 1 1 4 1001 1 1 5 SER N N 4.985 0.048 -5.200 1.00 . A A . 5 SER N 1 1 4 1002 1 1 5 SER O O 5.411 -1.791 -2.143 1.00 . A A . 5 SER O 1 1 4 1003 1 1 5 SER OG O 3.475 1.831 -3.739 1.00 . A A . 5 SER OG 1 1 4 1004 1 1 6 LEU C C 6.028 -4.312 -3.061 1.00 . A A . 6 LEU C 1 1 4 1005 1 1 6 LEU CA C 4.891 -3.886 -3.993 1.00 . A A . 6 LEU CA 1 1 4 1006 1 1 6 LEU CB C 5.011 -4.645 -5.318 1.00 . A A . 6 LEU CB 1 1 4 1007 1 1 6 LEU CD1 C 3.692 -6.698 -4.725 1.00 . A A . 6 LEU CD1 1 1 4 1008 1 1 6 LEU CD2 C 5.418 -6.798 -6.531 1.00 . A A . 6 LEU CD2 1 1 4 1009 1 1 6 LEU CG C 5.035 -6.171 -5.201 1.00 . A A . 6 LEU CG 1 1 4 1010 1 1 6 LEU H H 4.680 -2.129 -5.156 1.00 . A A . 6 LEU H 1 1 4 1011 1 1 6 LEU HA H 3.952 -4.146 -3.530 1.00 . A A . 6 LEU HA 1 1 4 1012 1 1 6 LEU HB2 H 4.176 -4.366 -5.945 1.00 . A A . 6 LEU HB2 1 1 4 1013 1 1 6 LEU HB3 H 5.922 -4.333 -5.806 1.00 . A A . 6 LEU HB3 1 1 4 1014 1 1 6 LEU HD11 H 3.725 -7.777 -4.678 1.00 . A A . 6 LEU HD11 1 1 4 1015 1 1 6 LEU HD12 H 2.919 -6.391 -5.416 1.00 . A A . 6 LEU HD12 1 1 4 1016 1 1 6 LEU HD13 H 3.477 -6.302 -3.744 1.00 . A A . 6 LEU HD13 1 1 4 1017 1 1 6 LEU HD21 H 5.470 -7.872 -6.421 1.00 . A A . 6 LEU HD21 1 1 4 1018 1 1 6 LEU HD22 H 6.381 -6.421 -6.842 1.00 . A A . 6 LEU HD22 1 1 4 1019 1 1 6 LEU HD23 H 4.676 -6.548 -7.275 1.00 . A A . 6 LEU HD23 1 1 4 1020 1 1 6 LEU HG H 5.778 -6.455 -4.471 1.00 . A A . 6 LEU HG 1 1 4 1021 1 1 6 LEU N N 4.877 -2.439 -4.245 1.00 . A A . 6 LEU N 1 1 4 1022 1 1 6 LEU O O 5.784 -4.957 -2.044 1.00 . A A . 6 LEU O 1 1 4 1023 1 1 7 GLY C C 8.334 -3.978 -1.155 1.00 . A A . 7 GLY C 1 1 4 1024 1 1 7 GLY CA C 8.421 -4.348 -2.629 1.00 . A A . 7 GLY CA 1 1 4 1025 1 1 7 GLY H H 7.377 -3.352 -4.185 1.00 . A A . 7 GLY H 1 1 4 1026 1 1 7 GLY HA2 H 8.521 -5.421 -2.710 1.00 . A A . 7 GLY HA2 1 1 4 1027 1 1 7 GLY HA3 H 9.301 -3.888 -3.053 1.00 . A A . 7 GLY HA3 1 1 4 1028 1 1 7 GLY N N 7.257 -3.928 -3.401 1.00 . A A . 7 GLY N 1 1 4 1029 1 1 7 GLY O O 8.823 -4.709 -0.292 1.00 . A A . 7 GLY O 1 1 4 1030 1 1 8 ARG C C 6.277 -2.943 1.125 1.00 . A A . 8 ARG C 1 1 4 1031 1 1 8 ARG CA C 7.557 -2.390 0.511 1.00 . A A . 8 ARG CA 1 1 4 1032 1 1 8 ARG CB C 7.555 -0.862 0.563 1.00 . A A . 8 ARG CB 1 1 4 1033 1 1 8 ARG CD C 8.789 1.272 0.091 1.00 . A A . 8 ARG CD 1 1 4 1034 1 1 8 ARG CG C 8.841 -0.244 0.047 1.00 . A A . 8 ARG CG 1 1 4 1035 1 1 8 ARG CZ C 9.002 2.926 1.904 1.00 . A A . 8 ARG CZ 1 1 4 1036 1 1 8 ARG H H 7.306 -2.321 -1.592 1.00 . A A . 8 ARG H 1 1 4 1037 1 1 8 ARG HA H 8.400 -2.762 1.077 1.00 . A A . 8 ARG HA 1 1 4 1038 1 1 8 ARG HB2 H 6.737 -0.492 -0.038 1.00 . A A . 8 ARG HB2 1 1 4 1039 1 1 8 ARG HB3 H 7.413 -0.545 1.586 1.00 . A A . 8 ARG HB3 1 1 4 1040 1 1 8 ARG HD2 H 9.739 1.660 -0.248 1.00 . A A . 8 ARG HD2 1 1 4 1041 1 1 8 ARG HD3 H 8.006 1.613 -0.570 1.00 . A A . 8 ARG HD3 1 1 4 1042 1 1 8 ARG HE H 7.963 1.223 2.026 1.00 . A A . 8 ARG HE 1 1 4 1043 1 1 8 ARG HG2 H 9.664 -0.583 0.658 1.00 . A A . 8 ARG HG2 1 1 4 1044 1 1 8 ARG HG3 H 8.995 -0.560 -0.975 1.00 . A A . 8 ARG HG3 1 1 4 1045 1 1 8 ARG HH11 H 10.017 3.399 0.211 1.00 . A A . 8 ARG HH11 1 1 4 1046 1 1 8 ARG HH12 H 10.147 4.558 1.504 1.00 . A A . 8 ARG HH12 1 1 4 1047 1 1 8 ARG HH21 H 8.104 2.723 3.710 1.00 . A A . 8 ARG HH21 1 1 4 1048 1 1 8 ARG HH22 H 9.042 4.179 3.501 1.00 . A A . 8 ARG HH22 1 1 4 1049 1 1 8 ARG N N 7.699 -2.851 -0.865 1.00 . A A . 8 ARG N 1 1 4 1050 1 1 8 ARG NE N 8.527 1.775 1.437 1.00 . A A . 8 ARG NE 1 1 4 1051 1 1 8 ARG NH1 N 9.781 3.688 1.144 1.00 . A A . 8 ARG NH1 1 1 4 1052 1 1 8 ARG NH2 N 8.694 3.308 3.134 1.00 . A A . 8 ARG NH2 1 1 4 1053 1 1 8 ARG O O 6.185 -3.135 2.337 1.00 . A A . 8 ARG O 1 1 4 1054 1 1 9 LYS C C 4.249 -5.213 1.212 1.00 . A A . 9 LYS C 1 1 4 1055 1 1 9 LYS CA C 4.030 -3.786 0.717 1.00 . A A . 9 LYS CA 1 1 4 1056 1 1 9 LYS CB C 3.012 -3.787 -0.426 1.00 . A A . 9 LYS CB 1 1 4 1057 1 1 9 LYS CD C 0.711 -4.467 -1.189 1.00 . A A . 9 LYS CD 1 1 4 1058 1 1 9 LYS CE C 1.152 -5.733 -1.907 1.00 . A A . 9 LYS CE 1 1 4 1059 1 1 9 LYS CG C 1.603 -4.172 0.007 1.00 . A A . 9 LYS CG 1 1 4 1060 1 1 9 LYS H H 5.423 -3.012 -0.680 1.00 . A A . 9 LYS H 1 1 4 1061 1 1 9 LYS HA H 3.651 -3.186 1.532 1.00 . A A . 9 LYS HA 1 1 4 1062 1 1 9 LYS HB2 H 2.975 -2.798 -0.860 1.00 . A A . 9 LYS HB2 1 1 4 1063 1 1 9 LYS HB3 H 3.337 -4.490 -1.178 1.00 . A A . 9 LYS HB3 1 1 4 1064 1 1 9 LYS HD2 H -0.306 -4.593 -0.848 1.00 . A A . 9 LYS HD2 1 1 4 1065 1 1 9 LYS HD3 H 0.762 -3.637 -1.878 1.00 . A A . 9 LYS HD3 1 1 4 1066 1 1 9 LYS HE2 H 2.166 -5.600 -2.248 1.00 . A A . 9 LYS HE2 1 1 4 1067 1 1 9 LYS HE3 H 1.115 -6.559 -1.211 1.00 . A A . 9 LYS HE3 1 1 4 1068 1 1 9 LYS HG2 H 1.656 -5.053 0.630 1.00 . A A . 9 LYS HG2 1 1 4 1069 1 1 9 LYS HG3 H 1.175 -3.355 0.572 1.00 . A A . 9 LYS HG3 1 1 4 1070 1 1 9 LYS HZ1 H -0.709 -6.099 -2.780 1.00 . A A . 9 LYS HZ1 1 1 4 1071 1 1 9 LYS HZ2 H 0.566 -6.962 -3.487 1.00 . A A . 9 LYS HZ2 1 1 4 1072 1 1 9 LYS HZ3 H 0.389 -5.304 -3.804 1.00 . A A . 9 LYS HZ3 1 1 4 1073 1 1 9 LYS N N 5.294 -3.210 0.274 1.00 . A A . 9 LYS N 1 1 4 1074 1 1 9 LYS NZ N 0.290 -6.044 -3.074 1.00 . A A . 9 LYS NZ 1 1 4 1075 1 1 9 LYS O O 3.596 -5.665 2.153 1.00 . A A . 9 LYS O 1 1 4 1076 1 1 10 ILE C C 6.291 -7.252 2.285 1.00 . A A . 10 ILE C 1 1 4 1077 1 1 10 ILE CA C 5.524 -7.274 0.964 1.00 . A A . 10 ILE CA 1 1 4 1078 1 1 10 ILE CB C 6.393 -7.969 -0.111 1.00 . A A . 10 ILE CB 1 1 4 1079 1 1 10 ILE CD1 C 4.349 -8.608 -1.506 1.00 . A A . 10 ILE CD1 1 1 4 1080 1 1 10 ILE CG1 C 5.703 -7.935 -1.479 1.00 . A A . 10 ILE CG1 1 1 4 1081 1 1 10 ILE CG2 C 6.706 -9.403 0.292 1.00 . A A . 10 ILE CG2 1 1 4 1082 1 1 10 ILE H H 5.615 -5.521 -0.221 1.00 . A A . 10 ILE H 1 1 4 1083 1 1 10 ILE HA H 4.613 -7.841 1.090 1.00 . A A . 10 ILE HA 1 1 4 1084 1 1 10 ILE HB H 7.329 -7.434 -0.179 1.00 . A A . 10 ILE HB 1 1 4 1085 1 1 10 ILE HD11 H 3.926 -8.526 -2.497 1.00 . A A . 10 ILE HD11 1 1 4 1086 1 1 10 ILE HD12 H 3.695 -8.130 -0.794 1.00 . A A . 10 ILE HD12 1 1 4 1087 1 1 10 ILE HD13 H 4.461 -9.652 -1.247 1.00 . A A . 10 ILE HD13 1 1 4 1088 1 1 10 ILE HG12 H 5.562 -6.908 -1.776 1.00 . A A . 10 ILE HG12 1 1 4 1089 1 1 10 ILE HG13 H 6.335 -8.430 -2.204 1.00 . A A . 10 ILE HG13 1 1 4 1090 1 1 10 ILE HG21 H 5.784 -9.956 0.405 1.00 . A A . 10 ILE HG21 1 1 4 1091 1 1 10 ILE HG22 H 7.242 -9.404 1.229 1.00 . A A . 10 ILE HG22 1 1 4 1092 1 1 10 ILE HG23 H 7.313 -9.868 -0.470 1.00 . A A . 10 ILE HG23 1 1 4 1093 1 1 10 ILE N N 5.168 -5.919 0.562 1.00 . A A . 10 ILE N 1 1 4 1094 1 1 10 ILE O O 6.167 -8.162 3.108 1.00 . A A . 10 ILE O 1 1 4 1095 1 1 11 LEU C C 7.190 -6.104 4.957 1.00 . A A . 11 LEU C 1 1 4 1096 1 1 11 LEU CA C 7.950 -6.069 3.632 1.00 . A A . 11 LEU CA 1 1 4 1097 1 1 11 LEU CB C 8.772 -4.781 3.540 1.00 . A A . 11 LEU CB 1 1 4 1098 1 1 11 LEU CD1 C 10.898 -5.712 4.495 1.00 . A A . 11 LEU CD1 1 1 4 1099 1 1 11 LEU CD2 C 10.490 -3.245 4.523 1.00 . A A . 11 LEU CD2 1 1 4 1100 1 1 11 LEU CG C 9.847 -4.618 4.618 1.00 . A A . 11 LEU CG 1 1 4 1101 1 1 11 LEU H H 7.012 -5.444 1.845 1.00 . A A . 11 LEU H 1 1 4 1102 1 1 11 LEU HA H 8.624 -6.911 3.601 1.00 . A A . 11 LEU HA 1 1 4 1103 1 1 11 LEU HB2 H 9.254 -4.753 2.574 1.00 . A A . 11 LEU HB2 1 1 4 1104 1 1 11 LEU HB3 H 8.095 -3.944 3.612 1.00 . A A . 11 LEU HB3 1 1 4 1105 1 1 11 LEU HD11 H 11.385 -5.637 3.533 1.00 . A A . 11 LEU HD11 1 1 4 1106 1 1 11 LEU HD12 H 10.422 -6.678 4.583 1.00 . A A . 11 LEU HD12 1 1 4 1107 1 1 11 LEU HD13 H 11.630 -5.596 5.280 1.00 . A A . 11 LEU HD13 1 1 4 1108 1 1 11 LEU HD21 H 10.914 -3.112 3.537 1.00 . A A . 11 LEU HD21 1 1 4 1109 1 1 11 LEU HD22 H 11.270 -3.160 5.265 1.00 . A A . 11 LEU HD22 1 1 4 1110 1 1 11 LEU HD23 H 9.743 -2.485 4.698 1.00 . A A . 11 LEU HD23 1 1 4 1111 1 1 11 LEU HG H 9.387 -4.706 5.592 1.00 . A A . 11 LEU HG 1 1 4 1112 1 1 11 LEU N N 7.053 -6.181 2.488 1.00 . A A . 11 LEU N 1 1 4 1113 1 1 11 LEU O O 7.671 -6.678 5.933 1.00 . A A . 11 LEU O 1 1 4 1114 1 1 12 ARG C C 4.704 -6.857 6.589 1.00 . A A . 12 ARG C 1 1 4 1115 1 1 12 ARG CA C 5.212 -5.461 6.225 1.00 . A A . 12 ARG CA 1 1 4 1116 1 1 12 ARG CB C 4.048 -4.448 6.118 1.00 . A A . 12 ARG CB 1 1 4 1117 1 1 12 ARG CD C 1.960 -5.796 5.634 1.00 . A A . 12 ARG CD 1 1 4 1118 1 1 12 ARG CG C 2.979 -4.802 5.091 1.00 . A A . 12 ARG CG 1 1 4 1119 1 1 12 ARG CZ C 0.801 -5.667 7.823 1.00 . A A . 12 ARG CZ 1 1 4 1120 1 1 12 ARG H H 5.655 -5.073 4.181 1.00 . A A . 12 ARG H 1 1 4 1121 1 1 12 ARG HA H 5.874 -5.135 7.013 1.00 . A A . 12 ARG HA 1 1 4 1122 1 1 12 ARG HB2 H 3.568 -4.368 7.083 1.00 . A A . 12 ARG HB2 1 1 4 1123 1 1 12 ARG HB3 H 4.456 -3.482 5.856 1.00 . A A . 12 ARG HB3 1 1 4 1124 1 1 12 ARG HD2 H 1.395 -6.193 4.805 1.00 . A A . 12 ARG HD2 1 1 4 1125 1 1 12 ARG HD3 H 2.492 -6.601 6.120 1.00 . A A . 12 ARG HD3 1 1 4 1126 1 1 12 ARG HE H 0.518 -4.412 6.288 1.00 . A A . 12 ARG HE 1 1 4 1127 1 1 12 ARG HG2 H 2.464 -3.900 4.798 1.00 . A A . 12 ARG HG2 1 1 4 1128 1 1 12 ARG HG3 H 3.463 -5.235 4.227 1.00 . A A . 12 ARG HG3 1 1 4 1129 1 1 12 ARG HH11 H 2.240 -7.102 7.761 1.00 . A A . 12 ARG HH11 1 1 4 1130 1 1 12 ARG HH12 H 1.315 -7.037 9.232 1.00 . A A . 12 ARG HH12 1 1 4 1131 1 1 12 ARG HH21 H -0.670 -4.326 8.214 1.00 . A A . 12 ARG HH21 1 1 4 1132 1 1 12 ARG HH22 H -0.319 -5.447 9.499 1.00 . A A . 12 ARG HH22 1 1 4 1133 1 1 12 ARG N N 6.001 -5.501 4.993 1.00 . A A . 12 ARG N 1 1 4 1134 1 1 12 ARG NE N 1.032 -5.193 6.593 1.00 . A A . 12 ARG NE 1 1 4 1135 1 1 12 ARG NH1 N 1.512 -6.680 8.309 1.00 . A A . 12 ARG NH1 1 1 4 1136 1 1 12 ARG NH2 N -0.135 -5.104 8.573 1.00 . A A . 12 ARG NH2 1 1 4 1137 1 1 12 ARG O O 4.325 -7.103 7.731 1.00 . A A . 12 ARG O 1 1 4 1138 1 1 13 ALA C C 2.870 -9.239 6.392 1.00 . A A . 13 ALA C 1 1 4 1139 1 1 13 ALA CA C 4.265 -9.140 5.783 1.00 . A A . 13 ALA CA 1 1 4 1140 1 1 13 ALA CB C 5.269 -9.911 6.629 1.00 . A A . 13 ALA CB 1 1 4 1141 1 1 13 ALA H H 4.994 -7.469 4.708 1.00 . A A . 13 ALA H 1 1 4 1142 1 1 13 ALA HA H 4.240 -9.601 4.806 1.00 . A A . 13 ALA HA 1 1 4 1143 1 1 13 ALA HB1 H 6.252 -9.818 6.195 1.00 . A A . 13 ALA HB1 1 1 4 1144 1 1 13 ALA HB2 H 4.986 -10.952 6.662 1.00 . A A . 13 ALA HB2 1 1 4 1145 1 1 13 ALA HB3 H 5.278 -9.509 7.633 1.00 . A A . 13 ALA HB3 1 1 4 1146 1 1 13 ALA N N 4.691 -7.752 5.598 1.00 . A A . 13 ALA N 1 1 4 1147 1 1 13 ALA O O 2.714 -9.352 7.607 1.00 . A A . 13 ALA O 1 1 4 1148 1 1 14 TRP C C 0.244 -10.735 6.484 1.00 . A A . 14 TRP C 1 1 4 1149 1 1 14 TRP CA C 0.476 -9.315 5.985 1.00 . A A . 14 TRP CA 1 1 4 1150 1 1 14 TRP CB C -0.501 -8.991 4.844 1.00 . A A . 14 TRP CB 1 1 4 1151 1 1 14 TRP CD1 C 0.505 -7.439 3.071 1.00 . A A . 14 TRP CD1 1 1 4 1152 1 1 14 TRP CD2 C 0.625 -9.611 2.550 1.00 . A A . 14 TRP CD2 1 1 4 1153 1 1 14 TRP CE2 C 1.208 -8.867 1.509 1.00 . A A . 14 TRP CE2 1 1 4 1154 1 1 14 TRP CE3 C 0.583 -11.004 2.436 1.00 . A A . 14 TRP CE3 1 1 4 1155 1 1 14 TRP CG C 0.180 -8.676 3.542 1.00 . A A . 14 TRP CG 1 1 4 1156 1 1 14 TRP CH2 C 1.697 -10.832 0.295 1.00 . A A . 14 TRP CH2 1 1 4 1157 1 1 14 TRP CZ2 C 1.754 -9.468 0.380 1.00 . A A . 14 TRP CZ2 1 1 4 1158 1 1 14 TRP CZ3 C 1.123 -11.599 1.314 1.00 . A A . 14 TRP CZ3 1 1 4 1159 1 1 14 TRP H H 2.044 -9.009 4.593 1.00 . A A . 14 TRP H 1 1 4 1160 1 1 14 TRP HA H 0.313 -8.625 6.801 1.00 . A A . 14 TRP HA 1 1 4 1161 1 1 14 TRP HB2 H -1.150 -9.842 4.685 1.00 . A A . 14 TRP HB2 1 1 4 1162 1 1 14 TRP HB3 H -1.098 -8.136 5.123 1.00 . A A . 14 TRP HB3 1 1 4 1163 1 1 14 TRP HD1 H 0.303 -6.518 3.594 1.00 . A A . 14 TRP HD1 1 1 4 1164 1 1 14 TRP HE1 H 1.464 -6.797 1.320 1.00 . A A . 14 TRP HE1 1 1 4 1165 1 1 14 TRP HE3 H 0.143 -11.615 3.210 1.00 . A A . 14 TRP HE3 1 1 4 1166 1 1 14 TRP HH2 H 2.106 -11.341 -0.567 1.00 . A A . 14 TRP HH2 1 1 4 1167 1 1 14 TRP HZ2 H 2.201 -8.888 -0.414 1.00 . A A . 14 TRP HZ2 1 1 4 1168 1 1 14 TRP HZ3 H 1.097 -12.675 1.211 1.00 . A A . 14 TRP HZ3 1 1 4 1169 1 1 14 TRP N N 1.858 -9.168 5.541 1.00 . A A . 14 TRP N 1 1 4 1170 1 1 14 TRP NE1 N 1.131 -7.547 1.855 1.00 . A A . 14 TRP NE1 1 1 4 1171 1 1 14 TRP O O 0.098 -10.973 7.680 1.00 . A A . 14 TRP O 1 1 4 1172 1 1 15 LYS C C 1.382 -13.817 5.331 1.00 . A A . 15 LYS C 1 1 4 1173 1 1 15 LYS CA C 0.161 -13.087 5.885 1.00 . A A . 15 LYS CA 1 1 4 1174 1 1 15 LYS CB C -1.149 -13.708 5.377 1.00 . A A . 15 LYS CB 1 1 4 1175 1 1 15 LYS CD C -1.318 -14.313 2.934 1.00 . A A . 15 LYS CD 1 1 4 1176 1 1 15 LYS CE C -2.096 -14.017 1.659 1.00 . A A . 15 LYS CE 1 1 4 1177 1 1 15 LYS CG C -1.582 -13.254 3.989 1.00 . A A . 15 LYS CG 1 1 4 1178 1 1 15 LYS H H 0.252 -11.408 4.610 1.00 . A A . 15 LYS H 1 1 4 1179 1 1 15 LYS HA H 0.182 -13.163 6.963 1.00 . A A . 15 LYS HA 1 1 4 1180 1 1 15 LYS HB2 H -1.034 -14.781 5.352 1.00 . A A . 15 LYS HB2 1 1 4 1181 1 1 15 LYS HB3 H -1.939 -13.461 6.072 1.00 . A A . 15 LYS HB3 1 1 4 1182 1 1 15 LYS HD2 H -0.261 -14.329 2.708 1.00 . A A . 15 LYS HD2 1 1 4 1183 1 1 15 LYS HD3 H -1.623 -15.275 3.318 1.00 . A A . 15 LYS HD3 1 1 4 1184 1 1 15 LYS HE2 H -3.139 -13.900 1.911 1.00 . A A . 15 LYS HE2 1 1 4 1185 1 1 15 LYS HE3 H -1.725 -13.096 1.233 1.00 . A A . 15 LYS HE3 1 1 4 1186 1 1 15 LYS HG2 H -2.641 -13.042 4.006 1.00 . A A . 15 LYS HG2 1 1 4 1187 1 1 15 LYS HG3 H -1.039 -12.356 3.729 1.00 . A A . 15 LYS HG3 1 1 4 1188 1 1 15 LYS HZ1 H -2.206 -16.023 1.077 1.00 . A A . 15 LYS HZ1 1 1 4 1189 1 1 15 LYS HZ2 H -0.990 -15.142 0.290 1.00 . A A . 15 LYS HZ2 1 1 4 1190 1 1 15 LYS HZ3 H -2.610 -14.924 -0.153 1.00 . A A . 15 LYS HZ3 1 1 4 1191 1 1 15 LYS N N 0.230 -11.674 5.551 1.00 . A A . 15 LYS N 1 1 4 1192 1 1 15 LYS NZ N -1.965 -15.101 0.652 1.00 . A A . 15 LYS NZ 1 1 4 1193 1 1 15 LYS O O 1.452 -15.044 5.358 1.00 . A A . 15 LYS O 1 1 4 1194 1 1 16 LYS C C 3.467 -14.707 3.397 1.00 . A A . 16 LYS C 1 1 4 1195 1 1 16 LYS CA C 3.630 -13.528 4.360 1.00 . A A . 16 LYS CA 1 1 4 1196 1 1 16 LYS CB C 4.501 -13.924 5.556 1.00 . A A . 16 LYS CB 1 1 4 1197 1 1 16 LYS CD C 6.650 -12.964 4.650 1.00 . A A . 16 LYS CD 1 1 4 1198 1 1 16 LYS CE C 8.145 -13.197 4.479 1.00 . A A . 16 LYS CE 1 1 4 1199 1 1 16 LYS CG C 5.956 -14.199 5.205 1.00 . A A . 16 LYS CG 1 1 4 1200 1 1 16 LYS H H 2.165 -12.066 4.778 1.00 . A A . 16 LYS H 1 1 4 1201 1 1 16 LYS HA H 4.119 -12.723 3.830 1.00 . A A . 16 LYS HA 1 1 4 1202 1 1 16 LYS HB2 H 4.476 -13.124 6.281 1.00 . A A . 16 LYS HB2 1 1 4 1203 1 1 16 LYS HB3 H 4.088 -14.815 6.005 1.00 . A A . 16 LYS HB3 1 1 4 1204 1 1 16 LYS HD2 H 6.221 -12.722 3.689 1.00 . A A . 16 LYS HD2 1 1 4 1205 1 1 16 LYS HD3 H 6.498 -12.140 5.332 1.00 . A A . 16 LYS HD3 1 1 4 1206 1 1 16 LYS HE2 H 8.292 -14.065 3.856 1.00 . A A . 16 LYS HE2 1 1 4 1207 1 1 16 LYS HE3 H 8.579 -12.331 3.996 1.00 . A A . 16 LYS HE3 1 1 4 1208 1 1 16 LYS HG2 H 6.475 -14.520 6.095 1.00 . A A . 16 LYS HG2 1 1 4 1209 1 1 16 LYS HG3 H 5.994 -14.983 4.463 1.00 . A A . 16 LYS HG3 1 1 4 1210 1 1 16 LYS HZ1 H 8.383 -14.210 6.296 1.00 . A A . 16 LYS HZ1 1 1 4 1211 1 1 16 LYS HZ2 H 8.767 -12.559 6.373 1.00 . A A . 16 LYS HZ2 1 1 4 1212 1 1 16 LYS HZ3 H 9.837 -13.644 5.625 1.00 . A A . 16 LYS HZ3 1 1 4 1213 1 1 16 LYS N N 2.337 -13.026 4.828 1.00 . A A . 16 LYS N 1 1 4 1214 1 1 16 LYS NZ N 8.830 -13.417 5.782 1.00 . A A . 16 LYS NZ 1 1 4 1215 1 1 16 LYS O O 3.853 -15.832 3.709 1.00 . A A . 16 LYS O 1 1 4 1216 1 1 17 TYR C C 2.081 -16.727 1.707 1.00 . A A . 17 TYR C 1 1 4 1217 1 1 17 TYR CA C 2.667 -15.422 1.184 1.00 . A A . 17 TYR CA 1 1 4 1218 1 1 17 TYR CB C 3.970 -15.675 0.424 1.00 . A A . 17 TYR CB 1 1 4 1219 1 1 17 TYR CD1 C 5.141 -13.521 -0.160 1.00 . A A . 17 TYR CD1 1 1 4 1220 1 1 17 TYR CD2 C 3.758 -14.539 -1.813 1.00 . A A . 17 TYR CD2 1 1 4 1221 1 1 17 TYR CE1 C 5.426 -12.487 -1.029 1.00 . A A . 17 TYR CE1 1 1 4 1222 1 1 17 TYR CE2 C 4.042 -13.511 -2.689 1.00 . A A . 17 TYR CE2 1 1 4 1223 1 1 17 TYR CG C 4.303 -14.561 -0.536 1.00 . A A . 17 TYR CG 1 1 4 1224 1 1 17 TYR CZ C 4.876 -12.488 -2.293 1.00 . A A . 17 TYR CZ 1 1 4 1225 1 1 17 TYR H H 2.540 -13.516 2.095 1.00 . A A . 17 TYR H 1 1 4 1226 1 1 17 TYR HA H 1.955 -14.998 0.492 1.00 . A A . 17 TYR HA 1 1 4 1227 1 1 17 TYR HB2 H 4.782 -15.763 1.129 1.00 . A A . 17 TYR HB2 1 1 4 1228 1 1 17 TYR HB3 H 3.882 -16.592 -0.141 1.00 . A A . 17 TYR HB3 1 1 4 1229 1 1 17 TYR HD1 H 5.572 -13.525 0.830 1.00 . A A . 17 TYR HD1 1 1 4 1230 1 1 17 TYR HD2 H 3.104 -15.343 -2.121 1.00 . A A . 17 TYR HD2 1 1 4 1231 1 1 17 TYR HE1 H 6.080 -11.687 -0.715 1.00 . A A . 17 TYR HE1 1 1 4 1232 1 1 17 TYR HE2 H 3.609 -13.512 -3.677 1.00 . A A . 17 TYR HE2 1 1 4 1233 1 1 17 TYR HH H 6.108 -11.289 -3.175 1.00 . A A . 17 TYR HH 1 1 4 1234 1 1 17 TYR N N 2.865 -14.427 2.242 1.00 . A A . 17 TYR N 1 1 4 1235 1 1 17 TYR O O 2.689 -17.790 1.595 1.00 . A A . 17 TYR O 1 1 4 1236 1 1 17 TYR OH O 5.151 -11.456 -3.163 1.00 . A A . 17 TYR OH 1 1 4 1237 1 1 18 GLY C C -0.941 -18.144 1.808 1.00 . A A . 18 GLY C 1 1 4 1238 1 1 18 GLY CA C 0.196 -17.803 2.743 1.00 . A A . 18 GLY CA 1 1 4 1239 1 1 18 GLY H H 0.506 -15.746 2.413 1.00 . A A . 18 GLY H 1 1 4 1240 1 1 18 GLY HA2 H 0.883 -18.636 2.785 1.00 . A A . 18 GLY HA2 1 1 4 1241 1 1 18 GLY HA3 H -0.202 -17.623 3.731 1.00 . A A . 18 GLY HA3 1 1 4 1242 1 1 18 GLY N N 0.903 -16.628 2.291 1.00 . A A . 18 GLY N 1 1 4 1243 1 1 18 GLY O O -0.728 -18.942 0.873 1.00 . A A . 18 GLY O 1 1 4 1244 1 1 18 GLY OXT O -2.038 -17.571 1.971 1.00 . A A . 18 GLY OXT 1 1 5 1245 1 1 1 GLY C C 0.242 1.392 -5.201 1.00 . A A . 1 GLY C 1 1 5 1246 1 1 1 GLY CA C 0.286 2.782 -4.596 1.00 . A A . 1 GLY CA 1 1 5 1247 1 1 1 GLY H1 H 1.904 2.529 -3.303 1.00 . A A . 1 GLY H1 1 1 5 1248 1 1 1 GLY H2 H 0.408 2.132 -2.616 1.00 . A A . 1 GLY H2 1 1 5 1249 1 1 1 GLY H3 H 0.832 3.755 -2.830 1.00 . A A . 1 GLY H3 1 1 5 1250 1 1 1 GLY HA2 H -0.722 3.162 -4.526 1.00 . A A . 1 GLY HA2 1 1 5 1251 1 1 1 GLY HA3 H 0.858 3.427 -5.247 1.00 . A A . 1 GLY HA3 1 1 5 1252 1 1 1 GLY N N 0.899 2.802 -3.245 1.00 . A A . 1 GLY N 1 1 5 1253 1 1 1 GLY O O -0.154 1.224 -6.357 1.00 . A A . 1 GLY O 1 1 5 1254 1 1 2 GLY C C 1.645 -1.399 -5.848 1.00 . A A . 2 GLY C 1 1 5 1255 1 1 2 GLY CA C 0.555 -0.982 -4.881 1.00 . A A . 2 GLY CA 1 1 5 1256 1 1 2 GLY H H 1.050 0.591 -3.554 1.00 . A A . 2 GLY H 1 1 5 1257 1 1 2 GLY HA2 H 0.597 -1.628 -4.017 1.00 . A A . 2 GLY HA2 1 1 5 1258 1 1 2 GLY HA3 H -0.403 -1.113 -5.362 1.00 . A A . 2 GLY HA3 1 1 5 1259 1 1 2 GLY N N 0.665 0.394 -4.436 1.00 . A A . 2 GLY N 1 1 5 1260 1 1 2 GLY O O 2.593 -2.071 -5.454 1.00 . A A . 2 GLY O 1 1 5 1261 1 1 3 LEU C C 3.862 -1.302 -7.893 1.00 . A A . 3 LEU C 1 1 5 1262 1 1 3 LEU CA C 2.372 -1.479 -8.188 1.00 . A A . 3 LEU CA 1 1 5 1263 1 1 3 LEU CB C 2.029 -0.780 -9.512 1.00 . A A . 3 LEU CB 1 1 5 1264 1 1 3 LEU CD1 C -0.457 -0.362 -9.343 1.00 . A A . 3 LEU CD1 1 1 5 1265 1 1 3 LEU CD2 C 0.601 -0.728 -11.577 1.00 . A A . 3 LEU CD2 1 1 5 1266 1 1 3 LEU CG C 0.643 -1.092 -10.100 1.00 . A A . 3 LEU CG 1 1 5 1267 1 1 3 LEU H H 0.829 -0.311 -7.312 1.00 . A A . 3 LEU H 1 1 5 1268 1 1 3 LEU HA H 2.171 -2.534 -8.297 1.00 . A A . 3 LEU HA 1 1 5 1269 1 1 3 LEU HB2 H 2.094 0.286 -9.355 1.00 . A A . 3 LEU HB2 1 1 5 1270 1 1 3 LEU HB3 H 2.773 -1.062 -10.243 1.00 . A A . 3 LEU HB3 1 1 5 1271 1 1 3 LEU HD11 H -0.290 0.704 -9.405 1.00 . A A . 3 LEU HD11 1 1 5 1272 1 1 3 LEU HD12 H -0.445 -0.668 -8.307 1.00 . A A . 3 LEU HD12 1 1 5 1273 1 1 3 LEU HD13 H -1.414 -0.604 -9.778 1.00 . A A . 3 LEU HD13 1 1 5 1274 1 1 3 LEU HD21 H 1.392 -1.246 -12.099 1.00 . A A . 3 LEU HD21 1 1 5 1275 1 1 3 LEU HD22 H 0.732 0.338 -11.689 1.00 . A A . 3 LEU HD22 1 1 5 1276 1 1 3 LEU HD23 H -0.354 -1.018 -11.990 1.00 . A A . 3 LEU HD23 1 1 5 1277 1 1 3 LEU HG H 0.456 -2.152 -10.014 1.00 . A A . 3 LEU HG 1 1 5 1278 1 1 3 LEU N N 1.522 -0.977 -7.105 1.00 . A A . 3 LEU N 1 1 5 1279 1 1 3 LEU O O 4.597 -2.280 -7.777 1.00 . A A . 3 LEU O 1 1 5 1280 1 1 4 ARG C C 5.998 0.077 -5.983 1.00 . A A . 4 ARG C 1 1 5 1281 1 1 4 ARG CA C 5.709 0.220 -7.471 1.00 . A A . 4 ARG CA 1 1 5 1282 1 1 4 ARG CB C 6.131 1.609 -7.975 1.00 . A A . 4 ARG CB 1 1 5 1283 1 1 4 ARG CD C 3.994 2.960 -7.971 1.00 . A A . 4 ARG CD 1 1 5 1284 1 1 4 ARG CG C 5.379 2.789 -7.364 1.00 . A A . 4 ARG CG 1 1 5 1285 1 1 4 ARG CZ C 2.981 3.218 -10.212 1.00 . A A . 4 ARG CZ 1 1 5 1286 1 1 4 ARG H H 3.679 0.682 -7.871 1.00 . A A . 4 ARG H 1 1 5 1287 1 1 4 ARG HA H 6.294 -0.523 -7.995 1.00 . A A . 4 ARG HA 1 1 5 1288 1 1 4 ARG HB2 H 7.181 1.743 -7.767 1.00 . A A . 4 ARG HB2 1 1 5 1289 1 1 4 ARG HB3 H 5.985 1.638 -9.045 1.00 . A A . 4 ARG HB3 1 1 5 1290 1 1 4 ARG HD2 H 3.371 2.140 -7.649 1.00 . A A . 4 ARG HD2 1 1 5 1291 1 1 4 ARG HD3 H 3.573 3.891 -7.622 1.00 . A A . 4 ARG HD3 1 1 5 1292 1 1 4 ARG HE H 4.903 2.772 -9.864 1.00 . A A . 4 ARG HE 1 1 5 1293 1 1 4 ARG HG2 H 5.275 2.624 -6.302 1.00 . A A . 4 ARG HG2 1 1 5 1294 1 1 4 ARG HG3 H 5.950 3.691 -7.533 1.00 . A A . 4 ARG HG3 1 1 5 1295 1 1 4 ARG HH11 H 1.718 3.636 -8.682 1.00 . A A . 4 ARG HH11 1 1 5 1296 1 1 4 ARG HH12 H 1.008 3.712 -10.267 1.00 . A A . 4 ARG HH12 1 1 5 1297 1 1 4 ARG HH21 H 4.000 2.918 -11.941 1.00 . A A . 4 ARG HH21 1 1 5 1298 1 1 4 ARG HH22 H 2.321 3.333 -12.135 1.00 . A A . 4 ARG HH22 1 1 5 1299 1 1 4 ARG N N 4.304 -0.060 -7.761 1.00 . A A . 4 ARG N 1 1 5 1300 1 1 4 ARG NE N 4.036 2.976 -9.433 1.00 . A A . 4 ARG NE 1 1 5 1301 1 1 4 ARG NH1 N 1.812 3.552 -9.676 1.00 . A A . 4 ARG NH1 1 1 5 1302 1 1 4 ARG NH2 N 3.112 3.150 -11.531 1.00 . A A . 4 ARG NH2 1 1 5 1303 1 1 4 ARG O O 7.147 -0.065 -5.568 1.00 . A A . 4 ARG O 1 1 5 1304 1 1 5 SER C C 5.323 -1.404 -3.289 1.00 . A A . 5 SER C 1 1 5 1305 1 1 5 SER CA C 5.047 0.029 -3.743 1.00 . A A . 5 SER CA 1 1 5 1306 1 1 5 SER CB C 3.756 0.535 -3.109 1.00 . A A . 5 SER CB 1 1 5 1307 1 1 5 SER H H 4.052 0.191 -5.593 1.00 . A A . 5 SER H 1 1 5 1308 1 1 5 SER HA H 5.865 0.661 -3.430 1.00 . A A . 5 SER HA 1 1 5 1309 1 1 5 SER HB2 H 2.977 -0.201 -3.244 1.00 . A A . 5 SER HB2 1 1 5 1310 1 1 5 SER HB3 H 3.915 0.705 -2.055 1.00 . A A . 5 SER HB3 1 1 5 1311 1 1 5 SER HG H 4.101 2.369 -3.746 1.00 . A A . 5 SER HG 1 1 5 1312 1 1 5 SER N N 4.941 0.113 -5.191 1.00 . A A . 5 SER N 1 1 5 1313 1 1 5 SER O O 5.703 -1.626 -2.146 1.00 . A A . 5 SER O 1 1 5 1314 1 1 5 SER OG O 3.345 1.751 -3.715 1.00 . A A . 5 SER OG 1 1 5 1315 1 1 6 LEU C C 6.364 -4.155 -3.013 1.00 . A A . 6 LEU C 1 1 5 1316 1 1 6 LEU CA C 5.177 -3.794 -3.915 1.00 . A A . 6 LEU CA 1 1 5 1317 1 1 6 LEU CB C 5.253 -4.566 -5.243 1.00 . A A . 6 LEU CB 1 1 5 1318 1 1 6 LEU CD1 C 4.562 -6.605 -6.525 1.00 . A A . 6 LEU CD1 1 1 5 1319 1 1 6 LEU CD2 C 6.246 -6.832 -4.708 1.00 . A A . 6 LEU CD2 1 1 5 1320 1 1 6 LEU CG C 5.001 -6.082 -5.166 1.00 . A A . 6 LEU CG 1 1 5 1321 1 1 6 LEU H H 4.839 -2.078 -5.101 1.00 . A A . 6 LEU H 1 1 5 1322 1 1 6 LEU HA H 4.266 -4.078 -3.409 1.00 . A A . 6 LEU HA 1 1 5 1323 1 1 6 LEU HB2 H 4.525 -4.142 -5.918 1.00 . A A . 6 LEU HB2 1 1 5 1324 1 1 6 LEU HB3 H 6.234 -4.412 -5.663 1.00 . A A . 6 LEU HB3 1 1 5 1325 1 1 6 LEU HD11 H 4.433 -7.676 -6.473 1.00 . A A . 6 LEU HD11 1 1 5 1326 1 1 6 LEU HD12 H 5.316 -6.368 -7.262 1.00 . A A . 6 LEU HD12 1 1 5 1327 1 1 6 LEU HD13 H 3.627 -6.144 -6.804 1.00 . A A . 6 LEU HD13 1 1 5 1328 1 1 6 LEU HD21 H 6.044 -7.892 -4.699 1.00 . A A . 6 LEU HD21 1 1 5 1329 1 1 6 LEU HD22 H 6.518 -6.509 -3.713 1.00 . A A . 6 LEU HD22 1 1 5 1330 1 1 6 LEU HD23 H 7.061 -6.626 -5.386 1.00 . A A . 6 LEU HD23 1 1 5 1331 1 1 6 LEU HG H 4.209 -6.276 -4.458 1.00 . A A . 6 LEU HG 1 1 5 1332 1 1 6 LEU N N 5.091 -2.355 -4.197 1.00 . A A . 6 LEU N 1 1 5 1333 1 1 6 LEU O O 6.190 -4.870 -2.028 1.00 . A A . 6 LEU O 1 1 5 1334 1 1 7 GLY C C 8.602 -3.599 -1.083 1.00 . A A . 7 GLY C 1 1 5 1335 1 1 7 GLY CA C 8.741 -3.976 -2.551 1.00 . A A . 7 GLY CA 1 1 5 1336 1 1 7 GLY H H 7.635 -3.066 -4.119 1.00 . A A . 7 GLY H 1 1 5 1337 1 1 7 GLY HA2 H 8.929 -5.037 -2.619 1.00 . A A . 7 GLY HA2 1 1 5 1338 1 1 7 GLY HA3 H 9.587 -3.448 -2.968 1.00 . A A . 7 GLY HA3 1 1 5 1339 1 1 7 GLY N N 7.555 -3.656 -3.337 1.00 . A A . 7 GLY N 1 1 5 1340 1 1 7 GLY O O 9.049 -4.329 -0.198 1.00 . A A . 7 GLY O 1 1 5 1341 1 1 8 ARG C C 6.461 -2.506 1.111 1.00 . A A . 8 ARG C 1 1 5 1342 1 1 8 ARG CA C 7.773 -1.976 0.535 1.00 . A A . 8 ARG CA 1 1 5 1343 1 1 8 ARG CB C 7.796 -0.448 0.537 1.00 . A A . 8 ARG CB 1 1 5 1344 1 1 8 ARG CD C 9.028 1.623 -0.208 1.00 . A A . 8 ARG CD 1 1 5 1345 1 1 8 ARG CG C 9.079 0.114 -0.054 1.00 . A A . 8 ARG CG 1 1 5 1346 1 1 8 ARG CZ C 10.462 3.416 -1.129 1.00 . A A . 8 ARG CZ 1 1 5 1347 1 1 8 ARG H H 7.618 -1.935 -1.581 1.00 . A A . 8 ARG H 1 1 5 1348 1 1 8 ARG HA H 8.590 -2.342 1.138 1.00 . A A . 8 ARG HA 1 1 5 1349 1 1 8 ARG HB2 H 6.961 -0.080 -0.044 1.00 . A A . 8 ARG HB2 1 1 5 1350 1 1 8 ARG HB3 H 7.705 -0.095 1.553 1.00 . A A . 8 ARG HB3 1 1 5 1351 1 1 8 ARG HD2 H 8.154 1.885 -0.787 1.00 . A A . 8 ARG HD2 1 1 5 1352 1 1 8 ARG HD3 H 8.960 2.071 0.772 1.00 . A A . 8 ARG HD3 1 1 5 1353 1 1 8 ARG HE H 10.895 1.458 -1.170 1.00 . A A . 8 ARG HE 1 1 5 1354 1 1 8 ARG HG2 H 9.903 -0.140 0.596 1.00 . A A . 8 ARG HG2 1 1 5 1355 1 1 8 ARG HG3 H 9.238 -0.332 -1.026 1.00 . A A . 8 ARG HG3 1 1 5 1356 1 1 8 ARG HH11 H 8.731 4.072 -0.308 1.00 . A A . 8 ARG HH11 1 1 5 1357 1 1 8 ARG HH12 H 9.767 5.315 -0.938 1.00 . A A . 8 ARG HH12 1 1 5 1358 1 1 8 ARG HH21 H 12.258 3.085 -2.025 1.00 . A A . 8 ARG HH21 1 1 5 1359 1 1 8 ARG HH22 H 11.765 4.753 -1.941 1.00 . A A . 8 ARG HH22 1 1 5 1360 1 1 8 ARG N N 7.969 -2.463 -0.828 1.00 . A A . 8 ARG N 1 1 5 1361 1 1 8 ARG NE N 10.224 2.129 -0.884 1.00 . A A . 8 ARG NE 1 1 5 1362 1 1 8 ARG NH1 N 9.580 4.338 -0.766 1.00 . A A . 8 ARG NH1 1 1 5 1363 1 1 8 ARG NH2 N 11.582 3.780 -1.745 1.00 . A A . 8 ARG NH2 1 1 5 1364 1 1 8 ARG O O 6.253 -2.518 2.324 1.00 . A A . 8 ARG O 1 1 5 1365 1 1 9 LYS C C 4.554 -4.857 1.351 1.00 . A A . 9 LYS C 1 1 5 1366 1 1 9 LYS CA C 4.316 -3.553 0.588 1.00 . A A . 9 LYS CA 1 1 5 1367 1 1 9 LYS CB C 3.513 -3.820 -0.689 1.00 . A A . 9 LYS CB 1 1 5 1368 1 1 9 LYS CD C 1.674 -5.065 -1.842 1.00 . A A . 9 LYS CD 1 1 5 1369 1 1 9 LYS CE C 0.472 -5.981 -1.688 1.00 . A A . 9 LYS CE 1 1 5 1370 1 1 9 LYS CG C 2.243 -4.634 -0.498 1.00 . A A . 9 LYS CG 1 1 5 1371 1 1 9 LYS H H 5.799 -2.833 -0.735 1.00 . A A . 9 LYS H 1 1 5 1372 1 1 9 LYS HA H 3.770 -2.866 1.217 1.00 . A A . 9 LYS HA 1 1 5 1373 1 1 9 LYS HB2 H 3.239 -2.872 -1.126 1.00 . A A . 9 LYS HB2 1 1 5 1374 1 1 9 LYS HB3 H 4.147 -4.350 -1.386 1.00 . A A . 9 LYS HB3 1 1 5 1375 1 1 9 LYS HD2 H 1.369 -4.185 -2.388 1.00 . A A . 9 LYS HD2 1 1 5 1376 1 1 9 LYS HD3 H 2.444 -5.585 -2.398 1.00 . A A . 9 LYS HD3 1 1 5 1377 1 1 9 LYS HE2 H 0.728 -6.786 -1.015 1.00 . A A . 9 LYS HE2 1 1 5 1378 1 1 9 LYS HE3 H -0.348 -5.411 -1.274 1.00 . A A . 9 LYS HE3 1 1 5 1379 1 1 9 LYS HG2 H 2.470 -5.513 0.086 1.00 . A A . 9 LYS HG2 1 1 5 1380 1 1 9 LYS HG3 H 1.511 -4.031 0.016 1.00 . A A . 9 LYS HG3 1 1 5 1381 1 1 9 LYS HZ1 H 0.835 -7.110 -3.408 1.00 . A A . 9 LYS HZ1 1 1 5 1382 1 1 9 LYS HZ2 H -0.203 -5.790 -3.658 1.00 . A A . 9 LYS HZ2 1 1 5 1383 1 1 9 LYS HZ3 H -0.771 -7.178 -2.871 1.00 . A A . 9 LYS HZ3 1 1 5 1384 1 1 9 LYS N N 5.584 -2.938 0.219 1.00 . A A . 9 LYS N 1 1 5 1385 1 1 9 LYS NZ N 0.053 -6.553 -2.994 1.00 . A A . 9 LYS NZ 1 1 5 1386 1 1 9 LYS O O 3.778 -5.226 2.236 1.00 . A A . 9 LYS O 1 1 5 1387 1 1 10 ILE C C 6.474 -6.631 3.060 1.00 . A A . 10 ILE C 1 1 5 1388 1 1 10 ILE CA C 5.979 -6.820 1.625 1.00 . A A . 10 ILE CA 1 1 5 1389 1 1 10 ILE CB C 7.078 -7.564 0.824 1.00 . A A . 10 ILE CB 1 1 5 1390 1 1 10 ILE CD1 C 5.433 -8.042 -1.068 1.00 . A A . 10 ILE CD1 1 1 5 1391 1 1 10 ILE CG1 C 6.793 -7.512 -0.679 1.00 . A A . 10 ILE CG1 1 1 5 1392 1 1 10 ILE CG2 C 7.195 -9.012 1.283 1.00 . A A . 10 ILE CG2 1 1 5 1393 1 1 10 ILE H H 6.246 -5.163 0.331 1.00 . A A . 10 ILE H 1 1 5 1394 1 1 10 ILE HA H 5.087 -7.433 1.634 1.00 . A A . 10 ILE HA 1 1 5 1395 1 1 10 ILE HB H 8.021 -7.077 1.019 1.00 . A A . 10 ILE HB 1 1 5 1396 1 1 10 ILE HD11 H 5.306 -7.957 -2.137 1.00 . A A . 10 ILE HD11 1 1 5 1397 1 1 10 ILE HD12 H 4.666 -7.469 -0.567 1.00 . A A . 10 ILE HD12 1 1 5 1398 1 1 10 ILE HD13 H 5.354 -9.079 -0.775 1.00 . A A . 10 ILE HD13 1 1 5 1399 1 1 10 ILE HG12 H 6.854 -6.488 -1.013 1.00 . A A . 10 ILE HG12 1 1 5 1400 1 1 10 ILE HG13 H 7.539 -8.099 -1.197 1.00 . A A . 10 ILE HG13 1 1 5 1401 1 1 10 ILE HG21 H 6.248 -9.512 1.142 1.00 . A A . 10 ILE HG21 1 1 5 1402 1 1 10 ILE HG22 H 7.463 -9.036 2.329 1.00 . A A . 10 ILE HG22 1 1 5 1403 1 1 10 ILE HG23 H 7.957 -9.512 0.705 1.00 . A A . 10 ILE HG23 1 1 5 1404 1 1 10 ILE N N 5.646 -5.536 1.014 1.00 . A A . 10 ILE N 1 1 5 1405 1 1 10 ILE O O 6.426 -7.557 3.871 1.00 . A A . 10 ILE O 1 1 5 1406 1 1 11 LEU C C 6.634 -5.400 5.827 1.00 . A A . 11 LEU C 1 1 5 1407 1 1 11 LEU CA C 7.573 -5.126 4.649 1.00 . A A . 11 LEU CA 1 1 5 1408 1 1 11 LEU CB C 8.048 -3.665 4.671 1.00 . A A . 11 LEU CB 1 1 5 1409 1 1 11 LEU CD1 C 9.097 -3.576 6.973 1.00 . A A . 11 LEU CD1 1 1 5 1410 1 1 11 LEU CD2 C 10.473 -4.243 4.992 1.00 . A A . 11 LEU CD2 1 1 5 1411 1 1 11 LEU CG C 9.323 -3.375 5.482 1.00 . A A . 11 LEU CG 1 1 5 1412 1 1 11 LEU H H 6.815 -4.692 2.718 1.00 . A A . 11 LEU H 1 1 5 1413 1 1 11 LEU HA H 8.434 -5.774 4.734 1.00 . A A . 11 LEU HA 1 1 5 1414 1 1 11 LEU HB2 H 8.222 -3.354 3.651 1.00 . A A . 11 LEU HB2 1 1 5 1415 1 1 11 LEU HB3 H 7.251 -3.061 5.078 1.00 . A A . 11 LEU HB3 1 1 5 1416 1 1 11 LEU HD11 H 10.013 -3.374 7.506 1.00 . A A . 11 LEU HD11 1 1 5 1417 1 1 11 LEU HD12 H 8.790 -4.596 7.157 1.00 . A A . 11 LEU HD12 1 1 5 1418 1 1 11 LEU HD13 H 8.325 -2.901 7.314 1.00 . A A . 11 LEU HD13 1 1 5 1419 1 1 11 LEU HD21 H 11.357 -4.031 5.576 1.00 . A A . 11 LEU HD21 1 1 5 1420 1 1 11 LEU HD22 H 10.668 -4.026 3.952 1.00 . A A . 11 LEU HD22 1 1 5 1421 1 1 11 LEU HD23 H 10.209 -5.284 5.100 1.00 . A A . 11 LEU HD23 1 1 5 1422 1 1 11 LEU HG H 9.602 -2.344 5.330 1.00 . A A . 11 LEU HG 1 1 5 1423 1 1 11 LEU N N 6.924 -5.417 3.370 1.00 . A A . 11 LEU N 1 1 5 1424 1 1 11 LEU O O 7.055 -5.941 6.847 1.00 . A A . 11 LEU O 1 1 5 1425 1 1 12 ARG C C 4.046 -6.690 6.966 1.00 . A A . 12 ARG C 1 1 5 1426 1 1 12 ARG CA C 4.399 -5.218 6.765 1.00 . A A . 12 ARG CA 1 1 5 1427 1 1 12 ARG CB C 3.128 -4.396 6.521 1.00 . A A . 12 ARG CB 1 1 5 1428 1 1 12 ARG CD C 1.036 -4.065 5.182 1.00 . A A . 12 ARG CD 1 1 5 1429 1 1 12 ARG CG C 2.389 -4.752 5.241 1.00 . A A . 12 ARG CG 1 1 5 1430 1 1 12 ARG CZ C -1.103 -4.095 6.423 1.00 . A A . 12 ARG CZ 1 1 5 1431 1 1 12 ARG H H 5.066 -4.662 4.825 1.00 . A A . 12 ARG H 1 1 5 1432 1 1 12 ARG HA H 4.871 -4.859 7.668 1.00 . A A . 12 ARG HA 1 1 5 1433 1 1 12 ARG HB2 H 2.453 -4.545 7.352 1.00 . A A . 12 ARG HB2 1 1 5 1434 1 1 12 ARG HB3 H 3.396 -3.350 6.475 1.00 . A A . 12 ARG HB3 1 1 5 1435 1 1 12 ARG HD2 H 1.187 -2.999 5.270 1.00 . A A . 12 ARG HD2 1 1 5 1436 1 1 12 ARG HD3 H 0.574 -4.286 4.231 1.00 . A A . 12 ARG HD3 1 1 5 1437 1 1 12 ARG HE H 0.518 -5.169 6.900 1.00 . A A . 12 ARG HE 1 1 5 1438 1 1 12 ARG HG2 H 2.980 -4.438 4.393 1.00 . A A . 12 ARG HG2 1 1 5 1439 1 1 12 ARG HG3 H 2.242 -5.822 5.204 1.00 . A A . 12 ARG HG3 1 1 5 1440 1 1 12 ARG HH11 H -1.083 -2.826 4.834 1.00 . A A . 12 ARG HH11 1 1 5 1441 1 1 12 ARG HH12 H -2.584 -2.902 5.715 1.00 . A A . 12 ARG HH12 1 1 5 1442 1 1 12 ARG HH21 H -1.431 -5.248 8.055 1.00 . A A . 12 ARG HH21 1 1 5 1443 1 1 12 ARG HH22 H -2.777 -4.265 7.563 1.00 . A A . 12 ARG HH22 1 1 5 1444 1 1 12 ARG N N 5.360 -5.045 5.677 1.00 . A A . 12 ARG N 1 1 5 1445 1 1 12 ARG NE N 0.151 -4.511 6.258 1.00 . A A . 12 ARG NE 1 1 5 1446 1 1 12 ARG NH1 N -1.629 -3.203 5.594 1.00 . A A . 12 ARG NH1 1 1 5 1447 1 1 12 ARG NH2 N -1.829 -4.575 7.426 1.00 . A A . 12 ARG NH2 1 1 5 1448 1 1 12 ARG O O 3.593 -7.076 8.043 1.00 . A A . 12 ARG O 1 1 5 1449 1 1 13 ALA C C 2.619 -9.263 6.510 1.00 . A A . 13 ALA C 1 1 5 1450 1 1 13 ALA CA C 4.012 -8.938 5.983 1.00 . A A . 13 ALA CA 1 1 5 1451 1 1 13 ALA CB C 5.073 -9.628 6.827 1.00 . A A . 13 ALA CB 1 1 5 1452 1 1 13 ALA H H 4.620 -7.111 5.096 1.00 . A A . 13 ALA H 1 1 5 1453 1 1 13 ALA HA H 4.085 -9.329 4.975 1.00 . A A . 13 ALA HA 1 1 5 1454 1 1 13 ALA HB1 H 4.933 -10.698 6.774 1.00 . A A . 13 ALA HB1 1 1 5 1455 1 1 13 ALA HB2 H 4.985 -9.304 7.854 1.00 . A A . 13 ALA HB2 1 1 5 1456 1 1 13 ALA HB3 H 6.053 -9.375 6.452 1.00 . A A . 13 ALA HB3 1 1 5 1457 1 1 13 ALA N N 4.261 -7.496 5.924 1.00 . A A . 13 ALA N 1 1 5 1458 1 1 13 ALA O O 2.455 -9.701 7.648 1.00 . A A . 13 ALA O 1 1 5 1459 1 1 14 TRP C C 0.154 -10.859 6.319 1.00 . A A . 14 TRP C 1 1 5 1460 1 1 14 TRP CA C 0.238 -9.373 5.990 1.00 . A A . 14 TRP CA 1 1 5 1461 1 1 14 TRP CB C -0.677 -9.054 4.799 1.00 . A A . 14 TRP CB 1 1 5 1462 1 1 14 TRP CD1 C -0.051 -6.993 3.410 1.00 . A A . 14 TRP CD1 1 1 5 1463 1 1 14 TRP CD2 C 0.923 -8.888 2.727 1.00 . A A . 14 TRP CD2 1 1 5 1464 1 1 14 TRP CE2 C 1.346 -7.841 1.890 1.00 . A A . 14 TRP CE2 1 1 5 1465 1 1 14 TRP CE3 C 1.410 -10.179 2.489 1.00 . A A . 14 TRP CE3 1 1 5 1466 1 1 14 TRP CG C 0.024 -8.325 3.690 1.00 . A A . 14 TRP CG 1 1 5 1467 1 1 14 TRP CH2 C 2.695 -9.317 0.630 1.00 . A A . 14 TRP CH2 1 1 5 1468 1 1 14 TRP CZ2 C 2.234 -8.044 0.836 1.00 . A A . 14 TRP CZ2 1 1 5 1469 1 1 14 TRP CZ3 C 2.290 -10.379 1.445 1.00 . A A . 14 TRP CZ3 1 1 5 1470 1 1 14 TRP H H 1.815 -8.592 4.819 1.00 . A A . 14 TRP H 1 1 5 1471 1 1 14 TRP HA H -0.074 -8.799 6.849 1.00 . A A . 14 TRP HA 1 1 5 1472 1 1 14 TRP HB2 H -1.068 -9.979 4.396 1.00 . A A . 14 TRP HB2 1 1 5 1473 1 1 14 TRP HB3 H -1.499 -8.439 5.136 1.00 . A A . 14 TRP HB3 1 1 5 1474 1 1 14 TRP HD1 H -0.651 -6.289 3.967 1.00 . A A . 14 TRP HD1 1 1 5 1475 1 1 14 TRP HE1 H 0.847 -5.803 1.933 1.00 . A A . 14 TRP HE1 1 1 5 1476 1 1 14 TRP HE3 H 1.109 -11.013 3.107 1.00 . A A . 14 TRP HE3 1 1 5 1477 1 1 14 TRP HH2 H 3.386 -9.520 -0.175 1.00 . A A . 14 TRP HH2 1 1 5 1478 1 1 14 TRP HZ2 H 2.555 -7.236 0.197 1.00 . A A . 14 TRP HZ2 1 1 5 1479 1 1 14 TRP HZ3 H 2.678 -11.370 1.251 1.00 . A A . 14 TRP HZ3 1 1 5 1480 1 1 14 TRP N N 1.620 -9.024 5.674 1.00 . A A . 14 TRP N 1 1 5 1481 1 1 14 TRP NE1 N 0.738 -6.694 2.328 1.00 . A A . 14 TRP NE1 1 1 5 1482 1 1 14 TRP O O -0.178 -11.249 7.438 1.00 . A A . 14 TRP O 1 1 5 1483 1 1 15 LYS C C 1.992 -13.608 5.334 1.00 . A A . 15 LYS C 1 1 5 1484 1 1 15 LYS CA C 0.556 -13.122 5.511 1.00 . A A . 15 LYS CA 1 1 5 1485 1 1 15 LYS CB C -0.344 -13.830 4.500 1.00 . A A . 15 LYS CB 1 1 5 1486 1 1 15 LYS CD C -0.391 -14.419 2.058 1.00 . A A . 15 LYS CD 1 1 5 1487 1 1 15 LYS CE C -1.756 -15.075 2.226 1.00 . A A . 15 LYS CE 1 1 5 1488 1 1 15 LYS CG C -0.157 -13.325 3.080 1.00 . A A . 15 LYS CG 1 1 5 1489 1 1 15 LYS H H 0.662 -11.300 4.445 1.00 . A A . 15 LYS H 1 1 5 1490 1 1 15 LYS HA H 0.222 -13.355 6.510 1.00 . A A . 15 LYS HA 1 1 5 1491 1 1 15 LYS HB2 H -0.124 -14.889 4.518 1.00 . A A . 15 LYS HB2 1 1 5 1492 1 1 15 LYS HB3 H -1.375 -13.680 4.783 1.00 . A A . 15 LYS HB3 1 1 5 1493 1 1 15 LYS HD2 H -0.327 -13.988 1.069 1.00 . A A . 15 LYS HD2 1 1 5 1494 1 1 15 LYS HD3 H 0.380 -15.166 2.175 1.00 . A A . 15 LYS HD3 1 1 5 1495 1 1 15 LYS HE2 H -1.844 -15.443 3.238 1.00 . A A . 15 LYS HE2 1 1 5 1496 1 1 15 LYS HE3 H -2.521 -14.335 2.046 1.00 . A A . 15 LYS HE3 1 1 5 1497 1 1 15 LYS HG2 H -0.858 -12.524 2.899 1.00 . A A . 15 LYS HG2 1 1 5 1498 1 1 15 LYS HG3 H 0.851 -12.954 2.973 1.00 . A A . 15 LYS HG3 1 1 5 1499 1 1 15 LYS HZ1 H -2.799 -16.751 1.539 1.00 . A A . 15 LYS HZ1 1 1 5 1500 1 1 15 LYS HZ2 H -1.124 -16.849 1.320 1.00 . A A . 15 LYS HZ2 1 1 5 1501 1 1 15 LYS HZ3 H -2.056 -15.855 0.307 1.00 . A A . 15 LYS HZ3 1 1 5 1502 1 1 15 LYS N N 0.482 -11.678 5.331 1.00 . A A . 15 LYS N 1 1 5 1503 1 1 15 LYS NZ N -1.947 -16.209 1.284 1.00 . A A . 15 LYS NZ 1 1 5 1504 1 1 15 LYS O O 2.281 -14.794 5.509 1.00 . A A . 15 LYS O 1 1 5 1505 1 1 16 LYS C C 4.410 -14.048 3.612 1.00 . A A . 16 LYS C 1 1 5 1506 1 1 16 LYS CA C 4.286 -12.989 4.715 1.00 . A A . 16 LYS CA 1 1 5 1507 1 1 16 LYS CB C 4.953 -13.463 6.017 1.00 . A A . 16 LYS CB 1 1 5 1508 1 1 16 LYS CD C 7.081 -12.175 5.624 1.00 . A A . 16 LYS CD 1 1 5 1509 1 1 16 LYS CE C 8.598 -12.207 5.681 1.00 . A A . 16 LYS CE 1 1 5 1510 1 1 16 LYS CG C 6.474 -13.527 5.964 1.00 . A A . 16 LYS CG 1 1 5 1511 1 1 16 LYS H H 2.568 -11.759 4.852 1.00 . A A . 16 LYS H 1 1 5 1512 1 1 16 LYS HA H 4.770 -12.081 4.381 1.00 . A A . 16 LYS HA 1 1 5 1513 1 1 16 LYS HB2 H 4.675 -12.788 6.814 1.00 . A A . 16 LYS HB2 1 1 5 1514 1 1 16 LYS HB3 H 4.583 -14.449 6.253 1.00 . A A . 16 LYS HB3 1 1 5 1515 1 1 16 LYS HD2 H 6.777 -11.898 4.627 1.00 . A A . 16 LYS HD2 1 1 5 1516 1 1 16 LYS HD3 H 6.718 -11.441 6.329 1.00 . A A . 16 LYS HD3 1 1 5 1517 1 1 16 LYS HE2 H 8.975 -11.223 5.439 1.00 . A A . 16 LYS HE2 1 1 5 1518 1 1 16 LYS HE3 H 8.905 -12.470 6.683 1.00 . A A . 16 LYS HE3 1 1 5 1519 1 1 16 LYS HG2 H 6.846 -13.845 6.927 1.00 . A A . 16 LYS HG2 1 1 5 1520 1 1 16 LYS HG3 H 6.768 -14.241 5.209 1.00 . A A . 16 LYS HG3 1 1 5 1521 1 1 16 LYS HZ1 H 8.894 -14.159 4.992 1.00 . A A . 16 LYS HZ1 1 1 5 1522 1 1 16 LYS HZ2 H 10.211 -13.125 4.725 1.00 . A A . 16 LYS HZ2 1 1 5 1523 1 1 16 LYS HZ3 H 8.821 -12.995 3.761 1.00 . A A . 16 LYS HZ3 1 1 5 1524 1 1 16 LYS N N 2.875 -12.680 4.958 1.00 . A A . 16 LYS N 1 1 5 1525 1 1 16 LYS NZ N 9.169 -13.188 4.726 1.00 . A A . 16 LYS NZ 1 1 5 1526 1 1 16 LYS O O 5.309 -14.886 3.631 1.00 . A A . 16 LYS O 1 1 5 1527 1 1 17 TYR C C 3.248 -16.362 2.072 1.00 . A A . 17 TYR C 1 1 5 1528 1 1 17 TYR CA C 3.429 -14.945 1.545 1.00 . A A . 17 TYR CA 1 1 5 1529 1 1 17 TYR CB C 4.659 -14.865 0.635 1.00 . A A . 17 TYR CB 1 1 5 1530 1 1 17 TYR CD1 C 5.333 -12.535 -0.067 1.00 . A A . 17 TYR CD1 1 1 5 1531 1 1 17 TYR CD2 C 3.867 -13.762 -1.489 1.00 . A A . 17 TYR CD2 1 1 5 1532 1 1 17 TYR CE1 C 5.291 -11.467 -0.943 1.00 . A A . 17 TYR CE1 1 1 5 1533 1 1 17 TYR CE2 C 3.821 -12.701 -2.370 1.00 . A A . 17 TYR CE2 1 1 5 1534 1 1 17 TYR CG C 4.621 -13.699 -0.324 1.00 . A A . 17 TYR CG 1 1 5 1535 1 1 17 TYR CZ C 4.535 -11.557 -2.094 1.00 . A A . 17 TYR CZ 1 1 5 1536 1 1 17 TYR H H 2.852 -13.242 2.660 1.00 . A A . 17 TYR H 1 1 5 1537 1 1 17 TYR HA H 2.556 -14.694 0.958 1.00 . A A . 17 TYR HA 1 1 5 1538 1 1 17 TYR HB2 H 5.544 -14.766 1.243 1.00 . A A . 17 TYR HB2 1 1 5 1539 1 1 17 TYR HB3 H 4.727 -15.773 0.052 1.00 . A A . 17 TYR HB3 1 1 5 1540 1 1 17 TYR HD1 H 5.923 -12.468 0.835 1.00 . A A . 17 TYR HD1 1 1 5 1541 1 1 17 TYR HD2 H 3.305 -14.662 -1.704 1.00 . A A . 17 TYR HD2 1 1 5 1542 1 1 17 TYR HE1 H 5.853 -10.570 -0.728 1.00 . A A . 17 TYR HE1 1 1 5 1543 1 1 17 TYR HE2 H 3.229 -12.772 -3.269 1.00 . A A . 17 TYR HE2 1 1 5 1544 1 1 17 TYR HH H 5.377 -10.152 -3.105 1.00 . A A . 17 TYR HH 1 1 5 1545 1 1 17 TYR N N 3.500 -13.974 2.639 1.00 . A A . 17 TYR N 1 1 5 1546 1 1 17 TYR O O 4.139 -17.206 1.963 1.00 . A A . 17 TYR O 1 1 5 1547 1 1 17 TYR OH O 4.488 -10.494 -2.971 1.00 . A A . 17 TYR OH 1 1 5 1548 1 1 18 GLY C C 0.834 -18.635 2.177 1.00 . A A . 18 GLY C 1 1 5 1549 1 1 18 GLY CA C 1.757 -17.931 3.142 1.00 . A A . 18 GLY CA 1 1 5 1550 1 1 18 GLY H H 1.446 -15.880 2.768 1.00 . A A . 18 GLY H 1 1 5 1551 1 1 18 GLY HA2 H 2.664 -18.508 3.253 1.00 . A A . 18 GLY HA2 1 1 5 1552 1 1 18 GLY HA3 H 1.268 -17.850 4.101 1.00 . A A . 18 GLY HA3 1 1 5 1553 1 1 18 GLY N N 2.091 -16.607 2.663 1.00 . A A . 18 GLY N 1 1 5 1554 1 1 18 GLY O O 0.820 -19.880 2.147 1.00 . A A . 18 GLY O 1 1 5 1555 1 1 18 GLY OXT O 0.136 -17.930 1.414 1.00 . A A . 18 GLY OXT 1 1 6 1556 1 1 1 GLY C C 0.478 1.098 -2.107 1.00 . A A . 1 GLY C 1 1 6 1557 1 1 1 GLY CA C 1.045 1.526 -0.772 1.00 . A A . 1 GLY CA 1 1 6 1558 1 1 1 GLY H1 H 0.238 3.443 -0.883 1.00 . A A . 1 GLY H1 1 1 6 1559 1 1 1 GLY H2 H 0.790 3.017 0.659 1.00 . A A . 1 GLY H2 1 1 6 1560 1 1 1 GLY H3 H -0.660 2.374 0.077 1.00 . A A . 1 GLY H3 1 1 6 1561 1 1 1 GLY HA2 H 2.076 1.816 -0.906 1.00 . A A . 1 GLY HA2 1 1 6 1562 1 1 1 GLY HA3 H 1.000 0.692 -0.089 1.00 . A A . 1 GLY HA3 1 1 6 1563 1 1 1 GLY N N 0.301 2.666 -0.188 1.00 . A A . 1 GLY N 1 1 6 1564 1 1 1 GLY O O -0.558 0.439 -2.166 1.00 . A A . 1 GLY O 1 1 6 1565 1 1 2 GLY C C 1.686 0.349 -5.318 1.00 . A A . 2 GLY C 1 1 6 1566 1 1 2 GLY CA C 0.692 1.161 -4.512 1.00 . A A . 2 GLY CA 1 1 6 1567 1 1 2 GLY H H 2.027 1.933 -3.059 1.00 . A A . 2 GLY H 1 1 6 1568 1 1 2 GLY HA2 H -0.231 0.607 -4.436 1.00 . A A . 2 GLY HA2 1 1 6 1569 1 1 2 GLY HA3 H 0.501 2.089 -5.030 1.00 . A A . 2 GLY HA3 1 1 6 1570 1 1 2 GLY N N 1.168 1.460 -3.178 1.00 . A A . 2 GLY N 1 1 6 1571 1 1 2 GLY O O 2.549 -0.322 -4.750 1.00 . A A . 2 GLY O 1 1 6 1572 1 1 3 LEU C C 3.885 -0.002 -7.405 1.00 . A A . 3 LEU C 1 1 6 1573 1 1 3 LEU CA C 2.408 -0.360 -7.544 1.00 . A A . 3 LEU CA 1 1 6 1574 1 1 3 LEU CB C 1.957 -0.174 -8.996 1.00 . A A . 3 LEU CB 1 1 6 1575 1 1 3 LEU CD1 C 0.184 -0.393 -10.756 1.00 . A A . 3 LEU CD1 1 1 6 1576 1 1 3 LEU CD2 C 0.427 -2.164 -9.010 1.00 . A A . 3 LEU CD2 1 1 6 1577 1 1 3 LEU CG C 0.544 -0.675 -9.305 1.00 . A A . 3 LEU CG 1 1 6 1578 1 1 3 LEU H H 0.909 1.049 -7.024 1.00 . A A . 3 LEU H 1 1 6 1579 1 1 3 LEU HA H 2.282 -1.399 -7.274 1.00 . A A . 3 LEU HA 1 1 6 1580 1 1 3 LEU HB2 H 2.005 0.878 -9.234 1.00 . A A . 3 LEU HB2 1 1 6 1581 1 1 3 LEU HB3 H 2.648 -0.703 -9.638 1.00 . A A . 3 LEU HB3 1 1 6 1582 1 1 3 LEU HD11 H -0.818 -0.743 -10.952 1.00 . A A . 3 LEU HD11 1 1 6 1583 1 1 3 LEU HD12 H 0.878 -0.905 -11.404 1.00 . A A . 3 LEU HD12 1 1 6 1584 1 1 3 LEU HD13 H 0.236 0.670 -10.940 1.00 . A A . 3 LEU HD13 1 1 6 1585 1 1 3 LEU HD21 H 0.604 -2.337 -7.960 1.00 . A A . 3 LEU HD21 1 1 6 1586 1 1 3 LEU HD22 H 1.159 -2.704 -9.593 1.00 . A A . 3 LEU HD22 1 1 6 1587 1 1 3 LEU HD23 H -0.564 -2.507 -9.271 1.00 . A A . 3 LEU HD23 1 1 6 1588 1 1 3 LEU HG H -0.162 -0.151 -8.678 1.00 . A A . 3 LEU HG 1 1 6 1589 1 1 3 LEU N N 1.576 0.434 -6.641 1.00 . A A . 3 LEU N 1 1 6 1590 1 1 3 LEU O O 4.739 -0.880 -7.353 1.00 . A A . 3 LEU O 1 1 6 1591 1 1 4 ARG C C 6.060 1.512 -5.750 1.00 . A A . 4 ARG C 1 1 6 1592 1 1 4 ARG CA C 5.576 1.726 -7.181 1.00 . A A . 4 ARG CA 1 1 6 1593 1 1 4 ARG CB C 5.755 3.196 -7.586 1.00 . A A . 4 ARG CB 1 1 6 1594 1 1 4 ARG CD C 3.513 4.339 -7.705 1.00 . A A . 4 ARG CD 1 1 6 1595 1 1 4 ARG CG C 4.797 4.167 -6.908 1.00 . A A . 4 ARG CG 1 1 6 1596 1 1 4 ARG CZ C 3.482 5.924 -9.599 1.00 . A A . 4 ARG CZ 1 1 6 1597 1 1 4 ARG H H 3.472 1.952 -7.386 1.00 . A A . 4 ARG H 1 1 6 1598 1 1 4 ARG HA H 6.178 1.112 -7.836 1.00 . A A . 4 ARG HA 1 1 6 1599 1 1 4 ARG HB2 H 6.763 3.500 -7.344 1.00 . A A . 4 ARG HB2 1 1 6 1600 1 1 4 ARG HB3 H 5.615 3.275 -8.653 1.00 . A A . 4 ARG HB3 1 1 6 1601 1 1 4 ARG HD2 H 2.973 3.402 -7.709 1.00 . A A . 4 ARG HD2 1 1 6 1602 1 1 4 ARG HD3 H 2.910 5.102 -7.235 1.00 . A A . 4 ARG HD3 1 1 6 1603 1 1 4 ARG HE H 4.257 4.081 -9.661 1.00 . A A . 4 ARG HE 1 1 6 1604 1 1 4 ARG HG2 H 4.550 3.788 -5.928 1.00 . A A . 4 ARG HG2 1 1 6 1605 1 1 4 ARG HG3 H 5.281 5.128 -6.812 1.00 . A A . 4 ARG HG3 1 1 6 1606 1 1 4 ARG HH11 H 2.596 6.633 -7.912 1.00 . A A . 4 ARG HH11 1 1 6 1607 1 1 4 ARG HH12 H 2.622 7.729 -9.261 1.00 . A A . 4 ARG HH12 1 1 6 1608 1 1 4 ARG HH21 H 4.260 5.512 -11.418 1.00 . A A . 4 ARG HH21 1 1 6 1609 1 1 4 ARG HH22 H 3.569 7.100 -11.243 1.00 . A A . 4 ARG HH22 1 1 6 1610 1 1 4 ARG N N 4.188 1.287 -7.332 1.00 . A A . 4 ARG N 1 1 6 1611 1 1 4 ARG NE N 3.794 4.738 -9.084 1.00 . A A . 4 ARG NE 1 1 6 1612 1 1 4 ARG NH1 N 2.849 6.833 -8.866 1.00 . A A . 4 ARG NH1 1 1 6 1613 1 1 4 ARG NH2 N 3.793 6.197 -10.855 1.00 . A A . 4 ARG NH2 1 1 6 1614 1 1 4 ARG O O 7.261 1.451 -5.487 1.00 . A A . 4 ARG O 1 1 6 1615 1 1 5 SER C C 5.835 -0.288 -3.203 1.00 . A A . 5 SER C 1 1 6 1616 1 1 5 SER CA C 5.434 1.163 -3.434 1.00 . A A . 5 SER CA 1 1 6 1617 1 1 5 SER CB C 4.235 1.515 -2.563 1.00 . A A . 5 SER CB 1 1 6 1618 1 1 5 SER H H 4.178 1.425 -5.106 1.00 . A A . 5 SER H 1 1 6 1619 1 1 5 SER HA H 6.262 1.804 -3.175 1.00 . A A . 5 SER HA 1 1 6 1620 1 1 5 SER HB2 H 3.513 0.712 -2.604 1.00 . A A . 5 SER HB2 1 1 6 1621 1 1 5 SER HB3 H 4.562 1.653 -1.543 1.00 . A A . 5 SER HB3 1 1 6 1622 1 1 5 SER HG H 4.278 3.422 -3.044 1.00 . A A . 5 SER HG 1 1 6 1623 1 1 5 SER N N 5.116 1.380 -4.834 1.00 . A A . 5 SER N 1 1 6 1624 1 1 5 SER O O 6.456 -0.602 -2.191 1.00 . A A . 5 SER O 1 1 6 1625 1 1 5 SER OG O 3.618 2.708 -3.011 1.00 . A A . 5 SER OG 1 1 6 1626 1 1 6 LEU C C 7.036 -2.960 -3.479 1.00 . A A . 6 LEU C 1 1 6 1627 1 1 6 LEU CA C 5.684 -2.603 -4.089 1.00 . A A . 6 LEU CA 1 1 6 1628 1 1 6 LEU CB C 5.543 -3.214 -5.494 1.00 . A A . 6 LEU CB 1 1 6 1629 1 1 6 LEU CD1 C 4.814 -5.201 -6.835 1.00 . A A . 6 LEU CD1 1 1 6 1630 1 1 6 LEU CD2 C 6.955 -5.304 -5.582 1.00 . A A . 6 LEU CD2 1 1 6 1631 1 1 6 LEU CG C 5.538 -4.748 -5.578 1.00 . A A . 6 LEU CG 1 1 6 1632 1 1 6 LEU H H 5.032 -0.793 -4.968 1.00 . A A . 6 LEU H 1 1 6 1633 1 1 6 LEU HA H 4.908 -3.010 -3.459 1.00 . A A . 6 LEU HA 1 1 6 1634 1 1 6 LEU HB2 H 4.620 -2.854 -5.922 1.00 . A A . 6 LEU HB2 1 1 6 1635 1 1 6 LEU HB3 H 6.361 -2.849 -6.100 1.00 . A A . 6 LEU HB3 1 1 6 1636 1 1 6 LEU HD11 H 4.815 -6.278 -6.879 1.00 . A A . 6 LEU HD11 1 1 6 1637 1 1 6 LEU HD12 H 5.318 -4.802 -7.704 1.00 . A A . 6 LEU HD12 1 1 6 1638 1 1 6 LEU HD13 H 3.794 -4.844 -6.814 1.00 . A A . 6 LEU HD13 1 1 6 1639 1 1 6 LEU HD21 H 6.917 -6.382 -5.609 1.00 . A A . 6 LEU HD21 1 1 6 1640 1 1 6 LEU HD22 H 7.472 -4.984 -4.690 1.00 . A A . 6 LEU HD22 1 1 6 1641 1 1 6 LEU HD23 H 7.482 -4.941 -6.453 1.00 . A A . 6 LEU HD23 1 1 6 1642 1 1 6 LEU HG H 5.016 -5.152 -4.722 1.00 . A A . 6 LEU HG 1 1 6 1643 1 1 6 LEU N N 5.471 -1.151 -4.165 1.00 . A A . 6 LEU N 1 1 6 1644 1 1 6 LEU O O 7.115 -3.870 -2.657 1.00 . A A . 6 LEU O 1 1 6 1645 1 1 7 GLY C C 9.429 -2.635 -1.828 1.00 . A A . 7 GLY C 1 1 6 1646 1 1 7 GLY CA C 9.409 -2.478 -3.339 1.00 . A A . 7 GLY CA 1 1 6 1647 1 1 7 GLY H H 7.944 -1.511 -4.519 1.00 . A A . 7 GLY H 1 1 6 1648 1 1 7 GLY HA2 H 9.794 -3.384 -3.787 1.00 . A A . 7 GLY HA2 1 1 6 1649 1 1 7 GLY HA3 H 10.049 -1.655 -3.611 1.00 . A A . 7 GLY HA3 1 1 6 1650 1 1 7 GLY N N 8.080 -2.228 -3.865 1.00 . A A . 7 GLY N 1 1 6 1651 1 1 7 GLY O O 9.860 -3.666 -1.319 1.00 . A A . 7 GLY O 1 1 6 1652 1 1 8 ARG C C 7.580 -2.247 0.848 1.00 . A A . 8 ARG C 1 1 6 1653 1 1 8 ARG CA C 8.906 -1.667 0.344 1.00 . A A . 8 ARG CA 1 1 6 1654 1 1 8 ARG CB C 9.148 -0.263 0.919 1.00 . A A . 8 ARG CB 1 1 6 1655 1 1 8 ARG CD C 9.735 1.047 2.999 1.00 . A A . 8 ARG CD 1 1 6 1656 1 1 8 ARG CG C 9.025 -0.180 2.434 1.00 . A A . 8 ARG CG 1 1 6 1657 1 1 8 ARG CZ C 8.674 3.258 2.664 1.00 . A A . 8 ARG CZ 1 1 6 1658 1 1 8 ARG H H 8.591 -0.840 -1.580 1.00 . A A . 8 ARG H 1 1 6 1659 1 1 8 ARG HA H 9.708 -2.315 0.668 1.00 . A A . 8 ARG HA 1 1 6 1660 1 1 8 ARG HB2 H 10.142 0.058 0.645 1.00 . A A . 8 ARG HB2 1 1 6 1661 1 1 8 ARG HB3 H 8.429 0.418 0.483 1.00 . A A . 8 ARG HB3 1 1 6 1662 1 1 8 ARG HD2 H 9.411 1.193 4.018 1.00 . A A . 8 ARG HD2 1 1 6 1663 1 1 8 ARG HD3 H 10.800 0.863 2.987 1.00 . A A . 8 ARG HD3 1 1 6 1664 1 1 8 ARG HE H 9.896 2.352 1.354 1.00 . A A . 8 ARG HE 1 1 6 1665 1 1 8 ARG HG2 H 7.978 -0.129 2.698 1.00 . A A . 8 ARG HG2 1 1 6 1666 1 1 8 ARG HG3 H 9.462 -1.068 2.868 1.00 . A A . 8 ARG HG3 1 1 6 1667 1 1 8 ARG HH11 H 8.235 2.384 4.442 1.00 . A A . 8 ARG HH11 1 1 6 1668 1 1 8 ARG HH12 H 7.497 3.936 4.177 1.00 . A A . 8 ARG HH12 1 1 6 1669 1 1 8 ARG HH21 H 8.960 4.410 1.014 1.00 . A A . 8 ARG HH21 1 1 6 1670 1 1 8 ARG HH22 H 7.908 5.090 2.229 1.00 . A A . 8 ARG HH22 1 1 6 1671 1 1 8 ARG N N 8.943 -1.626 -1.114 1.00 . A A . 8 ARG N 1 1 6 1672 1 1 8 ARG NE N 9.455 2.266 2.234 1.00 . A A . 8 ARG NE 1 1 6 1673 1 1 8 ARG NH1 N 8.088 3.185 3.853 1.00 . A A . 8 ARG NH1 1 1 6 1674 1 1 8 ARG NH2 N 8.497 4.335 1.910 1.00 . A A . 8 ARG NH2 1 1 6 1675 1 1 8 ARG O O 7.495 -2.729 1.977 1.00 . A A . 8 ARG O 1 1 6 1676 1 1 9 LYS C C 5.250 -4.194 0.718 1.00 . A A . 9 LYS C 1 1 6 1677 1 1 9 LYS CA C 5.224 -2.703 0.365 1.00 . A A . 9 LYS CA 1 1 6 1678 1 1 9 LYS CB C 4.227 -2.444 -0.773 1.00 . A A . 9 LYS CB 1 1 6 1679 1 1 9 LYS CD C 1.828 -2.417 -1.543 1.00 . A A . 9 LYS CD 1 1 6 1680 1 1 9 LYS CE C 0.391 -2.750 -1.170 1.00 . A A . 9 LYS CE 1 1 6 1681 1 1 9 LYS CG C 2.785 -2.774 -0.416 1.00 . A A . 9 LYS CG 1 1 6 1682 1 1 9 LYS H H 6.699 -1.850 -0.903 1.00 . A A . 9 LYS H 1 1 6 1683 1 1 9 LYS HA H 4.907 -2.145 1.232 1.00 . A A . 9 LYS HA 1 1 6 1684 1 1 9 LYS HB2 H 4.277 -1.400 -1.043 1.00 . A A . 9 LYS HB2 1 1 6 1685 1 1 9 LYS HB3 H 4.509 -3.041 -1.628 1.00 . A A . 9 LYS HB3 1 1 6 1686 1 1 9 LYS HD2 H 1.903 -1.359 -1.746 1.00 . A A . 9 LYS HD2 1 1 6 1687 1 1 9 LYS HD3 H 2.099 -2.977 -2.426 1.00 . A A . 9 LYS HD3 1 1 6 1688 1 1 9 LYS HE2 H 0.310 -3.818 -1.020 1.00 . A A . 9 LYS HE2 1 1 6 1689 1 1 9 LYS HE3 H 0.144 -2.240 -0.250 1.00 . A A . 9 LYS HE3 1 1 6 1690 1 1 9 LYS HG2 H 2.707 -3.833 -0.215 1.00 . A A . 9 LYS HG2 1 1 6 1691 1 1 9 LYS HG3 H 2.508 -2.219 0.470 1.00 . A A . 9 LYS HG3 1 1 6 1692 1 1 9 LYS HZ1 H -1.538 -2.643 -1.968 1.00 . A A . 9 LYS HZ1 1 1 6 1693 1 1 9 LYS HZ2 H -0.320 -2.786 -3.134 1.00 . A A . 9 LYS HZ2 1 1 6 1694 1 1 9 LYS HZ3 H -0.566 -1.307 -2.345 1.00 . A A . 9 LYS HZ3 1 1 6 1695 1 1 9 LYS N N 6.557 -2.219 -0.003 1.00 . A A . 9 LYS N 1 1 6 1696 1 1 9 LYS NZ N -0.573 -2.342 -2.227 1.00 . A A . 9 LYS NZ 1 1 6 1697 1 1 9 LYS O O 4.397 -4.684 1.458 1.00 . A A . 9 LYS O 1 1 6 1698 1 1 10 ILE C C 6.973 -6.577 1.849 1.00 . A A . 10 ILE C 1 1 6 1699 1 1 10 ILE CA C 6.376 -6.333 0.459 1.00 . A A . 10 ILE CA 1 1 6 1700 1 1 10 ILE CB C 7.271 -7.016 -0.605 1.00 . A A . 10 ILE CB 1 1 6 1701 1 1 10 ILE CD1 C 5.284 -7.392 -2.158 1.00 . A A . 10 ILE CD1 1 1 6 1702 1 1 10 ILE CG1 C 6.681 -6.832 -2.008 1.00 . A A . 10 ILE CG1 1 1 6 1703 1 1 10 ILE CG2 C 7.447 -8.498 -0.293 1.00 . A A . 10 ILE CG2 1 1 6 1704 1 1 10 ILE H H 6.876 -4.468 -0.408 1.00 . A A . 10 ILE H 1 1 6 1705 1 1 10 ILE HA H 5.393 -6.781 0.414 1.00 . A A . 10 ILE HA 1 1 6 1706 1 1 10 ILE HB H 8.244 -6.551 -0.573 1.00 . A A . 10 ILE HB 1 1 6 1707 1 1 10 ILE HD11 H 4.931 -7.223 -3.164 1.00 . A A . 10 ILE HD11 1 1 6 1708 1 1 10 ILE HD12 H 4.626 -6.901 -1.455 1.00 . A A . 10 ILE HD12 1 1 6 1709 1 1 10 ILE HD13 H 5.301 -8.451 -1.956 1.00 . A A . 10 ILE HD13 1 1 6 1710 1 1 10 ILE HG12 H 6.637 -5.779 -2.240 1.00 . A A . 10 ILE HG12 1 1 6 1711 1 1 10 ILE HG13 H 7.318 -7.329 -2.728 1.00 . A A . 10 ILE HG13 1 1 6 1712 1 1 10 ILE HG21 H 7.873 -8.610 0.693 1.00 . A A . 10 ILE HG21 1 1 6 1713 1 1 10 ILE HG22 H 8.106 -8.942 -1.022 1.00 . A A . 10 ILE HG22 1 1 6 1714 1 1 10 ILE HG23 H 6.486 -8.992 -0.329 1.00 . A A . 10 ILE HG23 1 1 6 1715 1 1 10 ILE N N 6.234 -4.909 0.189 1.00 . A A . 10 ILE N 1 1 6 1716 1 1 10 ILE O O 6.597 -7.536 2.533 1.00 . A A . 10 ILE O 1 1 6 1717 1 1 11 LEU C C 7.748 -5.963 4.741 1.00 . A A . 11 LEU C 1 1 6 1718 1 1 11 LEU CA C 8.639 -5.873 3.508 1.00 . A A . 11 LEU CA 1 1 6 1719 1 1 11 LEU CB C 9.655 -4.738 3.701 1.00 . A A . 11 LEU CB 1 1 6 1720 1 1 11 LEU CD1 C 11.650 -6.181 3.218 1.00 . A A . 11 LEU CD1 1 1 6 1721 1 1 11 LEU CD2 C 10.707 -4.731 1.416 1.00 . A A . 11 LEU CD2 1 1 6 1722 1 1 11 LEU CG C 10.960 -4.862 2.908 1.00 . A A . 11 LEU CG 1 1 6 1723 1 1 11 LEU H H 8.009 -4.872 1.746 1.00 . A A . 11 LEU H 1 1 6 1724 1 1 11 LEU HA H 9.178 -6.804 3.413 1.00 . A A . 11 LEU HA 1 1 6 1725 1 1 11 LEU HB2 H 9.180 -3.812 3.417 1.00 . A A . 11 LEU HB2 1 1 6 1726 1 1 11 LEU HB3 H 9.906 -4.684 4.750 1.00 . A A . 11 LEU HB3 1 1 6 1727 1 1 11 LEU HD11 H 11.002 -6.999 2.941 1.00 . A A . 11 LEU HD11 1 1 6 1728 1 1 11 LEU HD12 H 11.864 -6.235 4.276 1.00 . A A . 11 LEU HD12 1 1 6 1729 1 1 11 LEU HD13 H 12.571 -6.246 2.660 1.00 . A A . 11 LEU HD13 1 1 6 1730 1 1 11 LEU HD21 H 11.641 -4.826 0.882 1.00 . A A . 11 LEU HD21 1 1 6 1731 1 1 11 LEU HD22 H 10.268 -3.766 1.209 1.00 . A A . 11 LEU HD22 1 1 6 1732 1 1 11 LEU HD23 H 10.031 -5.511 1.099 1.00 . A A . 11 LEU HD23 1 1 6 1733 1 1 11 LEU HG H 11.625 -4.061 3.205 1.00 . A A . 11 LEU HG 1 1 6 1734 1 1 11 LEU N N 7.868 -5.685 2.273 1.00 . A A . 11 LEU N 1 1 6 1735 1 1 11 LEU O O 8.078 -6.661 5.700 1.00 . A A . 11 LEU O 1 1 6 1736 1 1 12 ARG C C 5.115 -6.607 6.132 1.00 . A A . 12 ARG C 1 1 6 1737 1 1 12 ARG CA C 5.723 -5.232 5.865 1.00 . A A . 12 ARG CA 1 1 6 1738 1 1 12 ARG CB C 4.606 -4.210 5.655 1.00 . A A . 12 ARG CB 1 1 6 1739 1 1 12 ARG CD C 2.469 -3.632 4.484 1.00 . A A . 12 ARG CD 1 1 6 1740 1 1 12 ARG CG C 3.668 -4.555 4.511 1.00 . A A . 12 ARG CG 1 1 6 1741 1 1 12 ARG CZ C 0.832 -2.781 6.117 1.00 . A A . 12 ARG CZ 1 1 6 1742 1 1 12 ARG H H 6.392 -4.757 3.907 1.00 . A A . 12 ARG H 1 1 6 1743 1 1 12 ARG HA H 6.304 -4.941 6.727 1.00 . A A . 12 ARG HA 1 1 6 1744 1 1 12 ARG HB2 H 4.022 -4.142 6.561 1.00 . A A . 12 ARG HB2 1 1 6 1745 1 1 12 ARG HB3 H 5.048 -3.246 5.451 1.00 . A A . 12 ARG HB3 1 1 6 1746 1 1 12 ARG HD2 H 2.814 -2.619 4.343 1.00 . A A . 12 ARG HD2 1 1 6 1747 1 1 12 ARG HD3 H 1.833 -3.915 3.659 1.00 . A A . 12 ARG HD3 1 1 6 1748 1 1 12 ARG HE H 1.841 -4.501 6.298 1.00 . A A . 12 ARG HE 1 1 6 1749 1 1 12 ARG HG2 H 4.202 -4.462 3.577 1.00 . A A . 12 ARG HG2 1 1 6 1750 1 1 12 ARG HG3 H 3.325 -5.573 4.634 1.00 . A A . 12 ARG HG3 1 1 6 1751 1 1 12 ARG HH11 H 1.130 -1.572 4.510 1.00 . A A . 12 ARG HH11 1 1 6 1752 1 1 12 ARG HH12 H -0.044 -1.001 5.667 1.00 . A A . 12 ARG HH12 1 1 6 1753 1 1 12 ARG HH21 H 0.328 -3.746 7.826 1.00 . A A . 12 ARG HH21 1 1 6 1754 1 1 12 ARG HH22 H -0.476 -2.229 7.564 1.00 . A A . 12 ARG HH22 1 1 6 1755 1 1 12 ARG N N 6.621 -5.264 4.714 1.00 . A A . 12 ARG N 1 1 6 1756 1 1 12 ARG NE N 1.698 -3.707 5.724 1.00 . A A . 12 ARG NE 1 1 6 1757 1 1 12 ARG NH1 N 0.626 -1.700 5.374 1.00 . A A . 12 ARG NH1 1 1 6 1758 1 1 12 ARG NH2 N 0.173 -2.933 7.258 1.00 . A A . 12 ARG NH2 1 1 6 1759 1 1 12 ARG O O 4.707 -6.903 7.258 1.00 . A A . 12 ARG O 1 1 6 1760 1 1 13 ALA C C 3.038 -8.704 5.679 1.00 . A A . 13 ALA C 1 1 6 1761 1 1 13 ALA CA C 4.472 -8.766 5.160 1.00 . A A . 13 ALA CA 1 1 6 1762 1 1 13 ALA CB C 5.318 -9.699 6.019 1.00 . A A . 13 ALA CB 1 1 6 1763 1 1 13 ALA H H 5.468 -7.145 4.239 1.00 . A A . 13 ALA H 1 1 6 1764 1 1 13 ALA HA H 4.457 -9.168 4.156 1.00 . A A . 13 ALA HA 1 1 6 1765 1 1 13 ALA HB1 H 6.320 -9.747 5.618 1.00 . A A . 13 ALA HB1 1 1 6 1766 1 1 13 ALA HB2 H 4.881 -10.686 6.016 1.00 . A A . 13 ALA HB2 1 1 6 1767 1 1 13 ALA HB3 H 5.351 -9.323 7.032 1.00 . A A . 13 ALA HB3 1 1 6 1768 1 1 13 ALA N N 5.070 -7.437 5.088 1.00 . A A . 13 ALA N 1 1 6 1769 1 1 13 ALA O O 2.783 -8.933 6.863 1.00 . A A . 13 ALA O 1 1 6 1770 1 1 14 TRP C C 0.209 -9.581 5.734 1.00 . A A . 14 TRP C 1 1 6 1771 1 1 14 TRP CA C 0.689 -8.271 5.128 1.00 . A A . 14 TRP CA 1 1 6 1772 1 1 14 TRP CB C -0.145 -7.939 3.884 1.00 . A A . 14 TRP CB 1 1 6 1773 1 1 14 TRP CD1 C 1.152 -6.417 2.281 1.00 . A A . 14 TRP CD1 1 1 6 1774 1 1 14 TRP CD2 C 1.130 -8.573 1.683 1.00 . A A . 14 TRP CD2 1 1 6 1775 1 1 14 TRP CE2 C 1.866 -7.849 0.729 1.00 . A A . 14 TRP CE2 1 1 6 1776 1 1 14 TRP CE3 C 0.978 -9.952 1.512 1.00 . A A . 14 TRP CE3 1 1 6 1777 1 1 14 TRP CG C 0.680 -7.636 2.669 1.00 . A A . 14 TRP CG 1 1 6 1778 1 1 14 TRP CH2 C 2.292 -9.807 -0.518 1.00 . A A . 14 TRP CH2 1 1 6 1779 1 1 14 TRP CZ2 C 2.457 -8.457 -0.373 1.00 . A A . 14 TRP CZ2 1 1 6 1780 1 1 14 TRP CZ3 C 1.564 -10.555 0.415 1.00 . A A . 14 TRP CZ3 1 1 6 1781 1 1 14 TRP H H 2.393 -8.169 3.865 1.00 . A A . 14 TRP H 1 1 6 1782 1 1 14 TRP HA H 0.574 -7.481 5.854 1.00 . A A . 14 TRP HA 1 1 6 1783 1 1 14 TRP HB2 H -0.784 -8.778 3.654 1.00 . A A . 14 TRP HB2 1 1 6 1784 1 1 14 TRP HB3 H -0.759 -7.075 4.094 1.00 . A A . 14 TRP HB3 1 1 6 1785 1 1 14 TRP HD1 H 0.981 -5.498 2.821 1.00 . A A . 14 TRP HD1 1 1 6 1786 1 1 14 TRP HE1 H 2.315 -5.803 0.645 1.00 . A A . 14 TRP HE1 1 1 6 1787 1 1 14 TRP HE3 H 0.419 -10.544 2.220 1.00 . A A . 14 TRP HE3 1 1 6 1788 1 1 14 TRP HH2 H 2.734 -10.319 -1.359 1.00 . A A . 14 TRP HH2 1 1 6 1789 1 1 14 TRP HZ2 H 3.021 -7.893 -1.102 1.00 . A A . 14 TRP HZ2 1 1 6 1790 1 1 14 TRP HZ3 H 1.461 -11.620 0.267 1.00 . A A . 14 TRP HZ3 1 1 6 1791 1 1 14 TRP N N 2.111 -8.367 4.784 1.00 . A A . 14 TRP N 1 1 6 1792 1 1 14 TRP NE1 N 1.871 -6.538 1.119 1.00 . A A . 14 TRP NE1 1 1 6 1793 1 1 14 TRP O O -0.078 -9.664 6.928 1.00 . A A . 14 TRP O 1 1 6 1794 1 1 15 LYS C C 1.046 -12.854 4.959 1.00 . A A . 15 LYS C 1 1 6 1795 1 1 15 LYS CA C -0.119 -11.958 5.368 1.00 . A A . 15 LYS CA 1 1 6 1796 1 1 15 LYS CB C -1.471 -12.491 4.856 1.00 . A A . 15 LYS CB 1 1 6 1797 1 1 15 LYS CD C -0.949 -13.399 2.559 1.00 . A A . 15 LYS CD 1 1 6 1798 1 1 15 LYS CE C -1.416 -14.809 2.895 1.00 . A A . 15 LYS CE 1 1 6 1799 1 1 15 LYS CG C -1.701 -12.345 3.355 1.00 . A A . 15 LYS CG 1 1 6 1800 1 1 15 LYS H H 0.211 -10.441 3.937 1.00 . A A . 15 LYS H 1 1 6 1801 1 1 15 LYS HA H -0.151 -11.923 6.449 1.00 . A A . 15 LYS HA 1 1 6 1802 1 1 15 LYS HB2 H -1.539 -13.540 5.098 1.00 . A A . 15 LYS HB2 1 1 6 1803 1 1 15 LYS HB3 H -2.264 -11.966 5.370 1.00 . A A . 15 LYS HB3 1 1 6 1804 1 1 15 LYS HD2 H -1.109 -13.221 1.506 1.00 . A A . 15 LYS HD2 1 1 6 1805 1 1 15 LYS HD3 H 0.105 -13.317 2.782 1.00 . A A . 15 LYS HD3 1 1 6 1806 1 1 15 LYS HE2 H -0.739 -15.515 2.440 1.00 . A A . 15 LYS HE2 1 1 6 1807 1 1 15 LYS HE3 H -1.395 -14.932 3.967 1.00 . A A . 15 LYS HE3 1 1 6 1808 1 1 15 LYS HG2 H -2.757 -12.445 3.152 1.00 . A A . 15 LYS HG2 1 1 6 1809 1 1 15 LYS HG3 H -1.366 -11.365 3.044 1.00 . A A . 15 LYS HG3 1 1 6 1810 1 1 15 LYS HZ1 H -2.861 -14.850 1.389 1.00 . A A . 15 LYS HZ1 1 1 6 1811 1 1 15 LYS HZ2 H -3.485 -14.516 2.928 1.00 . A A . 15 LYS HZ2 1 1 6 1812 1 1 15 LYS HZ3 H -3.016 -16.096 2.530 1.00 . A A . 15 LYS HZ3 1 1 6 1813 1 1 15 LYS N N 0.124 -10.604 4.898 1.00 . A A . 15 LYS N 1 1 6 1814 1 1 15 LYS NZ N -2.790 -15.083 2.404 1.00 . A A . 15 LYS NZ 1 1 6 1815 1 1 15 LYS O O 1.012 -14.069 5.152 1.00 . A A . 15 LYS O 1 1 6 1816 1 1 16 LYS C C 3.090 -14.039 3.031 1.00 . A A . 16 LYS C 1 1 6 1817 1 1 16 LYS CA C 3.325 -12.883 4.014 1.00 . A A . 16 LYS CA 1 1 6 1818 1 1 16 LYS CB C 4.067 -13.369 5.269 1.00 . A A . 16 LYS CB 1 1 6 1819 1 1 16 LYS CD C 6.348 -12.818 4.359 1.00 . A A . 16 LYS CD 1 1 6 1820 1 1 16 LYS CE C 7.769 -13.311 4.143 1.00 . A A . 16 LYS CE 1 1 6 1821 1 1 16 LYS CG C 5.477 -13.882 5.006 1.00 . A A . 16 LYS CG 1 1 6 1822 1 1 16 LYS H H 1.996 -11.257 4.243 1.00 . A A . 16 LYS H 1 1 6 1823 1 1 16 LYS HA H 3.943 -12.147 3.521 1.00 . A A . 16 LYS HA 1 1 6 1824 1 1 16 LYS HB2 H 4.136 -12.549 5.971 1.00 . A A . 16 LYS HB2 1 1 6 1825 1 1 16 LYS HB3 H 3.496 -14.167 5.721 1.00 . A A . 16 LYS HB3 1 1 6 1826 1 1 16 LYS HD2 H 5.922 -12.552 3.404 1.00 . A A . 16 LYS HD2 1 1 6 1827 1 1 16 LYS HD3 H 6.372 -11.948 4.999 1.00 . A A . 16 LYS HD3 1 1 6 1828 1 1 16 LYS HE2 H 7.735 -14.206 3.541 1.00 . A A . 16 LYS HE2 1 1 6 1829 1 1 16 LYS HE3 H 8.326 -12.547 3.619 1.00 . A A . 16 LYS HE3 1 1 6 1830 1 1 16 LYS HG2 H 5.924 -14.175 5.945 1.00 . A A . 16 LYS HG2 1 1 6 1831 1 1 16 LYS HG3 H 5.422 -14.738 4.350 1.00 . A A . 16 LYS HG3 1 1 6 1832 1 1 16 LYS HZ1 H 8.510 -12.756 6.014 1.00 . A A . 16 LYS HZ1 1 1 6 1833 1 1 16 LYS HZ2 H 9.422 -13.960 5.245 1.00 . A A . 16 LYS HZ2 1 1 6 1834 1 1 16 LYS HZ3 H 7.928 -14.350 5.951 1.00 . A A . 16 LYS HZ3 1 1 6 1835 1 1 16 LYS N N 2.075 -12.217 4.395 1.00 . A A . 16 LYS N 1 1 6 1836 1 1 16 LYS NZ N 8.454 -13.617 5.426 1.00 . A A . 16 LYS NZ 1 1 6 1837 1 1 16 LYS O O 3.447 -15.181 3.307 1.00 . A A . 16 LYS O 1 1 6 1838 1 1 17 TYR C C 1.315 -15.784 1.091 1.00 . A A . 17 TYR C 1 1 6 1839 1 1 17 TYR CA C 2.289 -14.647 0.770 1.00 . A A . 17 TYR CA 1 1 6 1840 1 1 17 TYR CB C 3.636 -15.205 0.297 1.00 . A A . 17 TYR CB 1 1 6 1841 1 1 17 TYR CD1 C 4.379 -13.887 -1.725 1.00 . A A . 17 TYR CD1 1 1 6 1842 1 1 17 TYR CD2 C 5.467 -13.458 0.351 1.00 . A A . 17 TYR CD2 1 1 6 1843 1 1 17 TYR CE1 C 5.169 -12.937 -2.341 1.00 . A A . 17 TYR CE1 1 1 6 1844 1 1 17 TYR CE2 C 6.262 -12.505 -0.259 1.00 . A A . 17 TYR CE2 1 1 6 1845 1 1 17 TYR CG C 4.514 -14.165 -0.372 1.00 . A A . 17 TYR CG 1 1 6 1846 1 1 17 TYR CZ C 6.108 -12.249 -1.604 1.00 . A A . 17 TYR CZ 1 1 6 1847 1 1 17 TYR H H 2.127 -12.804 1.797 1.00 . A A . 17 TYR H 1 1 6 1848 1 1 17 TYR HA H 1.864 -14.074 -0.042 1.00 . A A . 17 TYR HA 1 1 6 1849 1 1 17 TYR HB2 H 4.174 -15.598 1.148 1.00 . A A . 17 TYR HB2 1 1 6 1850 1 1 17 TYR HB3 H 3.460 -16.002 -0.412 1.00 . A A . 17 TYR HB3 1 1 6 1851 1 1 17 TYR HD1 H 3.641 -14.427 -2.300 1.00 . A A . 17 TYR HD1 1 1 6 1852 1 1 17 TYR HD2 H 5.584 -13.662 1.407 1.00 . A A . 17 TYR HD2 1 1 6 1853 1 1 17 TYR HE1 H 5.049 -12.737 -3.394 1.00 . A A . 17 TYR HE1 1 1 6 1854 1 1 17 TYR HE2 H 6.998 -11.968 0.319 1.00 . A A . 17 TYR HE2 1 1 6 1855 1 1 17 TYR HH H 6.346 -10.751 -2.791 1.00 . A A . 17 TYR HH 1 1 6 1856 1 1 17 TYR N N 2.473 -13.712 1.891 1.00 . A A . 17 TYR N 1 1 6 1857 1 1 17 TYR O O 0.278 -15.911 0.441 1.00 . A A . 17 TYR O 1 1 6 1858 1 1 17 TYR OH O 6.895 -11.300 -2.217 1.00 . A A . 17 TYR OH 1 1 6 1859 1 1 18 GLY C C 0.562 -17.794 3.935 1.00 . A A . 18 GLY C 1 1 6 1860 1 1 18 GLY CA C 0.772 -17.704 2.442 1.00 . A A . 18 GLY CA 1 1 6 1861 1 1 18 GLY H H 2.462 -16.440 2.591 1.00 . A A . 18 GLY H 1 1 6 1862 1 1 18 GLY HA2 H -0.186 -17.569 1.961 1.00 . A A . 18 GLY HA2 1 1 6 1863 1 1 18 GLY HA3 H 1.213 -18.626 2.091 1.00 . A A . 18 GLY HA3 1 1 6 1864 1 1 18 GLY N N 1.636 -16.599 2.082 1.00 . A A . 18 GLY N 1 1 6 1865 1 1 18 GLY O O 1.496 -17.468 4.691 1.00 . A A . 18 GLY O 1 1 6 1866 1 1 18 GLY OXT O -0.550 -18.162 4.360 1.00 . A A . 18 GLY OXT 1 1 7 1867 1 1 1 GLY C C 1.522 1.224 -2.845 1.00 . A A . 1 GLY C 1 1 7 1868 1 1 1 GLY CA C 2.349 1.931 -1.791 1.00 . A A . 1 GLY CA 1 1 7 1869 1 1 1 GLY H1 H 2.501 3.717 -2.857 1.00 . A A . 1 GLY H1 1 1 7 1870 1 1 1 GLY H2 H 2.885 3.863 -1.215 1.00 . A A . 1 GLY H2 1 1 7 1871 1 1 1 GLY H3 H 1.262 3.710 -1.700 1.00 . A A . 1 GLY H3 1 1 7 1872 1 1 1 GLY HA2 H 3.383 1.645 -1.908 1.00 . A A . 1 GLY HA2 1 1 7 1873 1 1 1 GLY HA3 H 2.009 1.623 -0.813 1.00 . A A . 1 GLY HA3 1 1 7 1874 1 1 1 GLY N N 2.243 3.406 -1.896 1.00 . A A . 1 GLY N 1 1 7 1875 1 1 1 GLY O O 0.489 0.632 -2.535 1.00 . A A . 1 GLY O 1 1 7 1876 1 1 2 GLY C C 2.132 0.096 -6.261 1.00 . A A . 2 GLY C 1 1 7 1877 1 1 2 GLY CA C 1.236 0.660 -5.176 1.00 . A A . 2 GLY CA 1 1 7 1878 1 1 2 GLY H H 2.817 1.747 -4.282 1.00 . A A . 2 GLY H 1 1 7 1879 1 1 2 GLY HA2 H 0.637 -0.141 -4.772 1.00 . A A . 2 GLY HA2 1 1 7 1880 1 1 2 GLY HA3 H 0.581 1.398 -5.615 1.00 . A A . 2 GLY HA3 1 1 7 1881 1 1 2 GLY N N 1.976 1.279 -4.094 1.00 . A A . 2 GLY N 1 1 7 1882 1 1 2 GLY O O 2.803 -0.911 -6.055 1.00 . A A . 2 GLY O 1 1 7 1883 1 1 3 LEU C C 4.367 0.233 -8.414 1.00 . A A . 3 LEU C 1 1 7 1884 1 1 3 LEU CA C 2.849 0.255 -8.590 1.00 . A A . 3 LEU CA 1 1 7 1885 1 1 3 LEU CB C 2.485 1.089 -9.825 1.00 . A A . 3 LEU CB 1 1 7 1886 1 1 3 LEU CD1 C 0.002 1.398 -9.446 1.00 . A A . 3 LEU CD1 1 1 7 1887 1 1 3 LEU CD2 C 0.951 1.549 -11.748 1.00 . A A . 3 LEU CD2 1 1 7 1888 1 1 3 LEU CG C 1.073 0.875 -10.393 1.00 . A A . 3 LEU CG 1 1 7 1889 1 1 3 LEU H H 1.716 1.642 -7.459 1.00 . A A . 3 LEU H 1 1 7 1890 1 1 3 LEU HA H 2.508 -0.757 -8.748 1.00 . A A . 3 LEU HA 1 1 7 1891 1 1 3 LEU HB2 H 2.585 2.132 -9.564 1.00 . A A . 3 LEU HB2 1 1 7 1892 1 1 3 LEU HB3 H 3.198 0.863 -10.604 1.00 . A A . 3 LEU HB3 1 1 7 1893 1 1 3 LEU HD11 H 0.082 0.890 -8.496 1.00 . A A . 3 LEU HD11 1 1 7 1894 1 1 3 LEU HD12 H -0.975 1.216 -9.871 1.00 . A A . 3 LEU HD12 1 1 7 1895 1 1 3 LEU HD13 H 0.139 2.458 -9.300 1.00 . A A . 3 LEU HD13 1 1 7 1896 1 1 3 LEU HD21 H 1.687 1.137 -12.424 1.00 . A A . 3 LEU HD21 1 1 7 1897 1 1 3 LEU HD22 H 1.119 2.610 -11.638 1.00 . A A . 3 LEU HD22 1 1 7 1898 1 1 3 LEU HD23 H -0.039 1.381 -12.147 1.00 . A A . 3 LEU HD23 1 1 7 1899 1 1 3 LEU HG H 0.904 -0.183 -10.532 1.00 . A A . 3 LEU HG 1 1 7 1900 1 1 3 LEU N N 2.164 0.770 -7.407 1.00 . A A . 3 LEU N 1 1 7 1901 1 1 3 LEU O O 4.987 -0.829 -8.468 1.00 . A A . 3 LEU O 1 1 7 1902 1 1 4 ARG C C 6.862 1.122 -6.659 1.00 . A A . 4 ARG C 1 1 7 1903 1 1 4 ARG CA C 6.420 1.486 -8.070 1.00 . A A . 4 ARG CA 1 1 7 1904 1 1 4 ARG CB C 6.965 2.869 -8.463 1.00 . A A . 4 ARG CB 1 1 7 1905 1 1 4 ARG CD C 5.093 4.553 -8.547 1.00 . A A . 4 ARG CD 1 1 7 1906 1 1 4 ARG CG C 6.307 4.057 -7.773 1.00 . A A . 4 ARG CG 1 1 7 1907 1 1 4 ARG CZ C 4.617 5.477 -10.792 1.00 . A A . 4 ARG CZ 1 1 7 1908 1 1 4 ARG H H 4.424 2.211 -8.116 1.00 . A A . 4 ARG H 1 1 7 1909 1 1 4 ARG HA H 6.839 0.754 -8.745 1.00 . A A . 4 ARG HA 1 1 7 1910 1 1 4 ARG HB2 H 8.020 2.898 -8.234 1.00 . A A . 4 ARG HB2 1 1 7 1911 1 1 4 ARG HB3 H 6.843 2.993 -9.530 1.00 . A A . 4 ARG HB3 1 1 7 1912 1 1 4 ARG HD2 H 4.315 3.807 -8.494 1.00 . A A . 4 ARG HD2 1 1 7 1913 1 1 4 ARG HD3 H 4.744 5.470 -8.095 1.00 . A A . 4 ARG HD3 1 1 7 1914 1 1 4 ARG HE H 6.262 4.446 -10.296 1.00 . A A . 4 ARG HE 1 1 7 1915 1 1 4 ARG HG2 H 5.993 3.759 -6.783 1.00 . A A . 4 ARG HG2 1 1 7 1916 1 1 4 ARG HG3 H 7.028 4.859 -7.697 1.00 . A A . 4 ARG HG3 1 1 7 1917 1 1 4 ARG HH11 H 3.237 5.988 -9.387 1.00 . A A . 4 ARG HH11 1 1 7 1918 1 1 4 ARG HH12 H 2.928 6.587 -10.995 1.00 . A A . 4 ARG HH12 1 1 7 1919 1 1 4 ARG HH21 H 5.808 5.176 -12.403 1.00 . A A . 4 ARG HH21 1 1 7 1920 1 1 4 ARG HH22 H 4.354 6.079 -12.706 1.00 . A A . 4 ARG HH22 1 1 7 1921 1 1 4 ARG N N 4.967 1.400 -8.204 1.00 . A A . 4 ARG N 1 1 7 1922 1 1 4 ARG NE N 5.410 4.810 -9.952 1.00 . A A . 4 ARG NE 1 1 7 1923 1 1 4 ARG NH1 N 3.501 6.054 -10.358 1.00 . A A . 4 ARG NH1 1 1 7 1924 1 1 4 ARG NH2 N 4.956 5.591 -12.067 1.00 . A A . 4 ARG NH2 1 1 7 1925 1 1 4 ARG O O 8.023 0.792 -6.425 1.00 . A A . 4 ARG O 1 1 7 1926 1 1 5 SER C C 6.155 -0.673 -4.141 1.00 . A A . 5 SER C 1 1 7 1927 1 1 5 SER CA C 6.191 0.841 -4.338 1.00 . A A . 5 SER CA 1 1 7 1928 1 1 5 SER CB C 5.167 1.502 -3.421 1.00 . A A . 5 SER CB 1 1 7 1929 1 1 5 SER H H 5.030 1.499 -5.976 1.00 . A A . 5 SER H 1 1 7 1930 1 1 5 SER HA H 7.175 1.202 -4.083 1.00 . A A . 5 SER HA 1 1 7 1931 1 1 5 SER HB2 H 4.251 0.930 -3.439 1.00 . A A . 5 SER HB2 1 1 7 1932 1 1 5 SER HB3 H 5.555 1.525 -2.414 1.00 . A A . 5 SER HB3 1 1 7 1933 1 1 5 SER HG H 5.524 3.441 -3.418 1.00 . A A . 5 SER HG 1 1 7 1934 1 1 5 SER N N 5.929 1.191 -5.726 1.00 . A A . 5 SER N 1 1 7 1935 1 1 5 SER O O 6.596 -1.165 -3.111 1.00 . A A . 5 SER O 1 1 7 1936 1 1 5 SER OG O 4.887 2.832 -3.831 1.00 . A A . 5 SER OG 1 1 7 1937 1 1 6 LEU C C 6.395 -3.604 -4.310 1.00 . A A . 6 LEU C 1 1 7 1938 1 1 6 LEU CA C 5.310 -2.822 -5.052 1.00 . A A . 6 LEU CA 1 1 7 1939 1 1 6 LEU CB C 5.134 -3.379 -6.475 1.00 . A A . 6 LEU CB 1 1 7 1940 1 1 6 LEU CD1 C 3.941 -4.946 -8.024 1.00 . A A . 6 LEU CD1 1 1 7 1941 1 1 6 LEU CD2 C 5.362 -5.886 -6.211 1.00 . A A . 6 LEU CD2 1 1 7 1942 1 1 6 LEU CG C 4.432 -4.743 -6.599 1.00 . A A . 6 LEU CG 1 1 7 1943 1 1 6 LEU H H 5.378 -0.915 -5.965 1.00 . A A . 6 LEU H 1 1 7 1944 1 1 6 LEU HA H 4.378 -2.941 -4.521 1.00 . A A . 6 LEU HA 1 1 7 1945 1 1 6 LEU HB2 H 4.567 -2.660 -7.048 1.00 . A A . 6 LEU HB2 1 1 7 1946 1 1 6 LEU HB3 H 6.115 -3.468 -6.920 1.00 . A A . 6 LEU HB3 1 1 7 1947 1 1 6 LEU HD11 H 3.255 -4.154 -8.285 1.00 . A A . 6 LEU HD11 1 1 7 1948 1 1 6 LEU HD12 H 3.438 -5.898 -8.099 1.00 . A A . 6 LEU HD12 1 1 7 1949 1 1 6 LEU HD13 H 4.784 -4.930 -8.699 1.00 . A A . 6 LEU HD13 1 1 7 1950 1 1 6 LEU HD21 H 4.832 -6.825 -6.286 1.00 . A A . 6 LEU HD21 1 1 7 1951 1 1 6 LEU HD22 H 5.703 -5.745 -5.196 1.00 . A A . 6 LEU HD22 1 1 7 1952 1 1 6 LEU HD23 H 6.211 -5.900 -6.877 1.00 . A A . 6 LEU HD23 1 1 7 1953 1 1 6 LEU HG H 3.576 -4.763 -5.941 1.00 . A A . 6 LEU HG 1 1 7 1954 1 1 6 LEU N N 5.601 -1.382 -5.133 1.00 . A A . 6 LEU N 1 1 7 1955 1 1 6 LEU O O 6.085 -4.370 -3.397 1.00 . A A . 6 LEU O 1 1 7 1956 1 1 7 GLY C C 8.786 -3.889 -2.548 1.00 . A A . 7 GLY C 1 1 7 1957 1 1 7 GLY CA C 8.746 -4.121 -4.048 1.00 . A A . 7 GLY CA 1 1 7 1958 1 1 7 GLY H H 7.844 -2.784 -5.423 1.00 . A A . 7 GLY H 1 1 7 1959 1 1 7 GLY HA2 H 8.630 -5.178 -4.232 1.00 . A A . 7 GLY HA2 1 1 7 1960 1 1 7 GLY HA3 H 9.680 -3.792 -4.477 1.00 . A A . 7 GLY HA3 1 1 7 1961 1 1 7 GLY N N 7.654 -3.411 -4.694 1.00 . A A . 7 GLY N 1 1 7 1962 1 1 7 GLY O O 8.819 -4.838 -1.766 1.00 . A A . 7 GLY O 1 1 7 1963 1 1 8 ARG C C 7.485 -2.538 -0.037 1.00 . A A . 8 ARG C 1 1 7 1964 1 1 8 ARG CA C 8.814 -2.250 -0.743 1.00 . A A . 8 ARG CA 1 1 7 1965 1 1 8 ARG CB C 9.174 -0.767 -0.628 1.00 . A A . 8 ARG CB 1 1 7 1966 1 1 8 ARG CD C 9.994 1.122 0.794 1.00 . A A . 8 ARG CD 1 1 7 1967 1 1 8 ARG CG C 9.439 -0.292 0.791 1.00 . A A . 8 ARG CG 1 1 7 1968 1 1 8 ARG CZ C 11.707 2.325 -0.523 1.00 . A A . 8 ARG CZ 1 1 7 1969 1 1 8 ARG H H 8.685 -1.917 -2.828 1.00 . A A . 8 ARG H 1 1 7 1970 1 1 8 ARG HA H 9.591 -2.838 -0.276 1.00 . A A . 8 ARG HA 1 1 7 1971 1 1 8 ARG HB2 H 10.060 -0.580 -1.214 1.00 . A A . 8 ARG HB2 1 1 7 1972 1 1 8 ARG HB3 H 8.359 -0.184 -1.031 1.00 . A A . 8 ARG HB3 1 1 7 1973 1 1 8 ARG HD2 H 9.259 1.788 0.369 1.00 . A A . 8 ARG HD2 1 1 7 1974 1 1 8 ARG HD3 H 10.204 1.415 1.812 1.00 . A A . 8 ARG HD3 1 1 7 1975 1 1 8 ARG HE H 11.722 0.363 -0.137 1.00 . A A . 8 ARG HE 1 1 7 1976 1 1 8 ARG HG2 H 8.514 -0.310 1.346 1.00 . A A . 8 ARG HG2 1 1 7 1977 1 1 8 ARG HG3 H 10.156 -0.954 1.255 1.00 . A A . 8 ARG HG3 1 1 7 1978 1 1 8 ARG HH11 H 10.265 3.541 0.229 1.00 . A A . 8 ARG HH11 1 1 7 1979 1 1 8 ARG HH12 H 11.476 4.331 -0.742 1.00 . A A . 8 ARG HH12 1 1 7 1980 1 1 8 ARG HH21 H 13.279 1.396 -1.386 1.00 . A A . 8 ARG HH21 1 1 7 1981 1 1 8 ARG HH22 H 13.184 3.109 -1.670 1.00 . A A . 8 ARG HH22 1 1 7 1982 1 1 8 ARG N N 8.753 -2.625 -2.151 1.00 . A A . 8 ARG N 1 1 7 1983 1 1 8 ARG NE N 11.226 1.208 0.013 1.00 . A A . 8 ARG NE 1 1 7 1984 1 1 8 ARG NH1 N 11.100 3.489 -0.329 1.00 . A A . 8 ARG NH1 1 1 7 1985 1 1 8 ARG NH2 N 12.811 2.272 -1.248 1.00 . A A . 8 ARG NH2 1 1 7 1986 1 1 8 ARG O O 7.443 -2.726 1.180 1.00 . A A . 8 ARG O 1 1 7 1987 1 1 9 LYS C C 5.005 -4.283 0.309 1.00 . A A . 9 LYS C 1 1 7 1988 1 1 9 LYS CA C 5.077 -2.870 -0.274 1.00 . A A . 9 LYS CA 1 1 7 1989 1 1 9 LYS CB C 4.021 -2.686 -1.371 1.00 . A A . 9 LYS CB 1 1 7 1990 1 1 9 LYS CD C 1.589 -2.731 -2.026 1.00 . A A . 9 LYS CD 1 1 7 1991 1 1 9 LYS CE C 0.183 -3.107 -1.585 1.00 . A A . 9 LYS CE 1 1 7 1992 1 1 9 LYS CG C 2.594 -2.943 -0.905 1.00 . A A . 9 LYS CG 1 1 7 1993 1 1 9 LYS H H 6.510 -2.431 -1.775 1.00 . A A . 9 LYS H 1 1 7 1994 1 1 9 LYS HA H 4.886 -2.157 0.515 1.00 . A A . 9 LYS HA 1 1 7 1995 1 1 9 LYS HB2 H 4.078 -1.672 -1.741 1.00 . A A . 9 LYS HB2 1 1 7 1996 1 1 9 LYS HB3 H 4.242 -3.366 -2.181 1.00 . A A . 9 LYS HB3 1 1 7 1997 1 1 9 LYS HD2 H 1.597 -1.691 -2.313 1.00 . A A . 9 LYS HD2 1 1 7 1998 1 1 9 LYS HD3 H 1.869 -3.345 -2.870 1.00 . A A . 9 LYS HD3 1 1 7 1999 1 1 9 LYS HE2 H 0.181 -4.140 -1.273 1.00 . A A . 9 LYS HE2 1 1 7 2000 1 1 9 LYS HE3 H -0.094 -2.480 -0.749 1.00 . A A . 9 LYS HE3 1 1 7 2001 1 1 9 LYS HG2 H 2.518 -3.962 -0.553 1.00 . A A . 9 LYS HG2 1 1 7 2002 1 1 9 LYS HG3 H 2.365 -2.265 -0.095 1.00 . A A . 9 LYS HG3 1 1 7 2003 1 1 9 LYS HZ1 H -1.043 -1.917 -2.797 1.00 . A A . 9 LYS HZ1 1 1 7 2004 1 1 9 LYS HZ2 H -1.695 -3.445 -2.444 1.00 . A A . 9 LYS HZ2 1 1 7 2005 1 1 9 LYS HZ3 H -0.441 -3.299 -3.573 1.00 . A A . 9 LYS HZ3 1 1 7 2006 1 1 9 LYS N N 6.408 -2.595 -0.811 1.00 . A A . 9 LYS N 1 1 7 2007 1 1 9 LYS NZ N -0.817 -2.929 -2.673 1.00 . A A . 9 LYS NZ 1 1 7 2008 1 1 9 LYS O O 4.180 -4.570 1.177 1.00 . A A . 9 LYS O 1 1 7 2009 1 1 10 ILE C C 6.603 -6.593 1.701 1.00 . A A . 10 ILE C 1 1 7 2010 1 1 10 ILE CA C 5.937 -6.532 0.323 1.00 . A A . 10 ILE CA 1 1 7 2011 1 1 10 ILE CB C 6.716 -7.442 -0.660 1.00 . A A . 10 ILE CB 1 1 7 2012 1 1 10 ILE CD1 C 4.708 -7.768 -2.210 1.00 . A A . 10 ILE CD1 1 1 7 2013 1 1 10 ILE CG1 C 6.148 -7.320 -2.082 1.00 . A A . 10 ILE CG1 1 1 7 2014 1 1 10 ILE CG2 C 6.678 -8.893 -0.192 1.00 . A A . 10 ILE CG2 1 1 7 2015 1 1 10 ILE H H 6.513 -4.873 -0.861 1.00 . A A . 10 ILE H 1 1 7 2016 1 1 10 ILE HA H 4.925 -6.900 0.402 1.00 . A A . 10 ILE HA 1 1 7 2017 1 1 10 ILE HB H 7.746 -7.123 -0.665 1.00 . A A . 10 ILE HB 1 1 7 2018 1 1 10 ILE HD11 H 4.080 -7.131 -1.606 1.00 . A A . 10 ILE HD11 1 1 7 2019 1 1 10 ILE HD12 H 4.617 -8.791 -1.870 1.00 . A A . 10 ILE HD12 1 1 7 2020 1 1 10 ILE HD13 H 4.401 -7.702 -3.242 1.00 . A A . 10 ILE HD13 1 1 7 2021 1 1 10 ILE HG12 H 6.197 -6.288 -2.392 1.00 . A A . 10 ILE HG12 1 1 7 2022 1 1 10 ILE HG13 H 6.743 -7.919 -2.756 1.00 . A A . 10 ILE HG13 1 1 7 2023 1 1 10 ILE HG21 H 7.085 -8.958 0.805 1.00 . A A . 10 ILE HG21 1 1 7 2024 1 1 10 ILE HG22 H 7.265 -9.504 -0.862 1.00 . A A . 10 ILE HG22 1 1 7 2025 1 1 10 ILE HG23 H 5.656 -9.244 -0.186 1.00 . A A . 10 ILE HG23 1 1 7 2026 1 1 10 ILE N N 5.884 -5.157 -0.163 1.00 . A A . 10 ILE N 1 1 7 2027 1 1 10 ILE O O 6.264 -7.437 2.532 1.00 . A A . 10 ILE O 1 1 7 2028 1 1 11 LEU C C 7.534 -5.556 4.433 1.00 . A A . 11 LEU C 1 1 7 2029 1 1 11 LEU CA C 8.354 -5.657 3.150 1.00 . A A . 11 LEU CA 1 1 7 2030 1 1 11 LEU CB C 9.368 -4.507 3.107 1.00 . A A . 11 LEU CB 1 1 7 2031 1 1 11 LEU CD1 C 10.410 -5.199 0.920 1.00 . A A . 11 LEU CD1 1 1 7 2032 1 1 11 LEU CD2 C 11.579 -3.567 2.402 1.00 . A A . 11 LEU CD2 1 1 7 2033 1 1 11 LEU CG C 10.675 -4.790 2.358 1.00 . A A . 11 LEU CG 1 1 7 2034 1 1 11 LEU H H 7.623 -4.922 1.299 1.00 . A A . 11 LEU H 1 1 7 2035 1 1 11 LEU HA H 8.895 -6.590 3.163 1.00 . A A . 11 LEU HA 1 1 7 2036 1 1 11 LEU HB2 H 8.893 -3.656 2.641 1.00 . A A . 11 LEU HB2 1 1 7 2037 1 1 11 LEU HB3 H 9.617 -4.242 4.124 1.00 . A A . 11 LEU HB3 1 1 7 2038 1 1 11 LEU HD11 H 11.346 -5.418 0.430 1.00 . A A . 11 LEU HD11 1 1 7 2039 1 1 11 LEU HD12 H 9.912 -4.392 0.402 1.00 . A A . 11 LEU HD12 1 1 7 2040 1 1 11 LEU HD13 H 9.780 -6.077 0.905 1.00 . A A . 11 LEU HD13 1 1 7 2041 1 1 11 LEU HD21 H 11.084 -2.737 1.919 1.00 . A A . 11 LEU HD21 1 1 7 2042 1 1 11 LEU HD22 H 12.504 -3.783 1.887 1.00 . A A . 11 LEU HD22 1 1 7 2043 1 1 11 LEU HD23 H 11.790 -3.313 3.430 1.00 . A A . 11 LEU HD23 1 1 7 2044 1 1 11 LEU HG H 11.191 -5.603 2.845 1.00 . A A . 11 LEU HG 1 1 7 2045 1 1 11 LEU N N 7.515 -5.652 1.947 1.00 . A A . 11 LEU N 1 1 7 2046 1 1 11 LEU O O 7.961 -6.038 5.484 1.00 . A A . 11 LEU O 1 1 7 2047 1 1 12 ARG C C 4.973 -6.085 6.031 1.00 . A A . 12 ARG C 1 1 7 2048 1 1 12 ARG CA C 5.531 -4.750 5.542 1.00 . A A . 12 ARG CA 1 1 7 2049 1 1 12 ARG CB C 4.373 -3.784 5.273 1.00 . A A . 12 ARG CB 1 1 7 2050 1 1 12 ARG CD C 2.022 -3.653 4.410 1.00 . A A . 12 ARG CD 1 1 7 2051 1 1 12 ARG CG C 3.394 -4.277 4.224 1.00 . A A . 12 ARG CG 1 1 7 2052 1 1 12 ARG CZ C 0.117 -3.860 5.970 1.00 . A A . 12 ARG CZ 1 1 7 2053 1 1 12 ARG H H 6.059 -4.580 3.492 1.00 . A A . 12 ARG H 1 1 7 2054 1 1 12 ARG HA H 6.158 -4.335 6.316 1.00 . A A . 12 ARG HA 1 1 7 2055 1 1 12 ARG HB2 H 3.828 -3.628 6.193 1.00 . A A . 12 ARG HB2 1 1 7 2056 1 1 12 ARG HB3 H 4.778 -2.840 4.941 1.00 . A A . 12 ARG HB3 1 1 7 2057 1 1 12 ARG HD2 H 2.126 -2.579 4.425 1.00 . A A . 12 ARG HD2 1 1 7 2058 1 1 12 ARG HD3 H 1.393 -3.943 3.580 1.00 . A A . 12 ARG HD3 1 1 7 2059 1 1 12 ARG HE H 1.958 -4.562 6.312 1.00 . A A . 12 ARG HE 1 1 7 2060 1 1 12 ARG HG2 H 3.768 -4.016 3.245 1.00 . A A . 12 ARG HG2 1 1 7 2061 1 1 12 ARG HG3 H 3.305 -5.350 4.302 1.00 . A A . 12 ARG HG3 1 1 7 2062 1 1 12 ARG HH11 H -0.342 -2.995 4.189 1.00 . A A . 12 ARG HH11 1 1 7 2063 1 1 12 ARG HH12 H -1.648 -3.074 5.338 1.00 . A A . 12 ARG HH12 1 1 7 2064 1 1 12 ARG HH21 H 0.256 -4.733 7.793 1.00 . A A . 12 ARG HH21 1 1 7 2065 1 1 12 ARG HH22 H -1.315 -4.091 7.393 1.00 . A A . 12 ARG HH22 1 1 7 2066 1 1 12 ARG N N 6.363 -4.931 4.356 1.00 . A A . 12 ARG N 1 1 7 2067 1 1 12 ARG NE N 1.392 -4.087 5.659 1.00 . A A . 12 ARG NE 1 1 7 2068 1 1 12 ARG NH1 N -0.689 -3.268 5.097 1.00 . A A . 12 ARG NH1 1 1 7 2069 1 1 12 ARG NH2 N -0.352 -4.260 7.143 1.00 . A A . 12 ARG NH2 1 1 7 2070 1 1 12 ARG O O 4.630 -6.222 7.207 1.00 . A A . 12 ARG O 1 1 7 2071 1 1 13 ALA C C 2.922 -8.232 6.005 1.00 . A A . 13 ALA C 1 1 7 2072 1 1 13 ALA CA C 4.326 -8.370 5.431 1.00 . A A . 13 ALA CA 1 1 7 2073 1 1 13 ALA CB C 5.228 -9.138 6.387 1.00 . A A . 13 ALA CB 1 1 7 2074 1 1 13 ALA H H 5.232 -6.893 4.216 1.00 . A A . 13 ALA H 1 1 7 2075 1 1 13 ALA HA H 4.262 -8.934 4.507 1.00 . A A . 13 ALA HA 1 1 7 2076 1 1 13 ALA HB1 H 5.307 -8.598 7.319 1.00 . A A . 13 ALA HB1 1 1 7 2077 1 1 13 ALA HB2 H 6.210 -9.249 5.949 1.00 . A A . 13 ALA HB2 1 1 7 2078 1 1 13 ALA HB3 H 4.805 -10.114 6.573 1.00 . A A . 13 ALA HB3 1 1 7 2079 1 1 13 ALA N N 4.891 -7.060 5.121 1.00 . A A . 13 ALA N 1 1 7 2080 1 1 13 ALA O O 2.723 -8.293 7.219 1.00 . A A . 13 ALA O 1 1 7 2081 1 1 14 TRP C C 0.111 -9.167 6.194 1.00 . A A . 14 TRP C 1 1 7 2082 1 1 14 TRP CA C 0.558 -7.887 5.505 1.00 . A A . 14 TRP CA 1 1 7 2083 1 1 14 TRP CB C -0.316 -7.624 4.269 1.00 . A A . 14 TRP CB 1 1 7 2084 1 1 14 TRP CD1 C 0.908 -6.293 2.450 1.00 . A A . 14 TRP CD1 1 1 7 2085 1 1 14 TRP CD2 C 0.901 -8.506 2.114 1.00 . A A . 14 TRP CD2 1 1 7 2086 1 1 14 TRP CE2 C 1.606 -7.894 1.060 1.00 . A A . 14 TRP CE2 1 1 7 2087 1 1 14 TRP CE3 C 0.765 -9.898 2.114 1.00 . A A . 14 TRP CE3 1 1 7 2088 1 1 14 TRP CG C 0.469 -7.462 2.997 1.00 . A A . 14 TRP CG 1 1 7 2089 1 1 14 TRP CH2 C 2.019 -9.985 0.044 1.00 . A A . 14 TRP CH2 1 1 7 2090 1 1 14 TRP CZ2 C 2.171 -8.626 0.019 1.00 . A A . 14 TRP CZ2 1 1 7 2091 1 1 14 TRP CZ3 C 1.324 -10.621 1.079 1.00 . A A . 14 TRP CZ3 1 1 7 2092 1 1 14 TRP H H 2.200 -7.905 4.174 1.00 . A A . 14 TRP H 1 1 7 2093 1 1 14 TRP HA H 0.463 -7.060 6.196 1.00 . A A . 14 TRP HA 1 1 7 2094 1 1 14 TRP HB2 H -0.995 -8.454 4.137 1.00 . A A . 14 TRP HB2 1 1 7 2095 1 1 14 TRP HB3 H -0.886 -6.721 4.426 1.00 . A A . 14 TRP HB3 1 1 7 2096 1 1 14 TRP HD1 H 0.739 -5.319 2.884 1.00 . A A . 14 TRP HD1 1 1 7 2097 1 1 14 TRP HE1 H 2.021 -5.863 0.721 1.00 . A A . 14 TRP HE1 1 1 7 2098 1 1 14 TRP HE3 H 0.232 -10.409 2.904 1.00 . A A . 14 TRP HE3 1 1 7 2099 1 1 14 TRP HH2 H 2.437 -10.589 -0.745 1.00 . A A . 14 TRP HH2 1 1 7 2100 1 1 14 TRP HZ2 H 2.710 -8.150 -0.787 1.00 . A A . 14 TRP HZ2 1 1 7 2101 1 1 14 TRP HZ3 H 1.225 -11.696 1.060 1.00 . A A . 14 TRP HZ3 1 1 7 2102 1 1 14 TRP N N 1.960 -8.003 5.118 1.00 . A A . 14 TRP N 1 1 7 2103 1 1 14 TRP NE1 N 1.602 -6.544 1.293 1.00 . A A . 14 TRP NE1 1 1 7 2104 1 1 14 TRP O O -0.309 -9.156 7.349 1.00 . A A . 14 TRP O 1 1 7 2105 1 1 15 LYS C C 1.186 -12.464 5.932 1.00 . A A . 15 LYS C 1 1 7 2106 1 1 15 LYS CA C -0.057 -11.583 6.039 1.00 . A A . 15 LYS CA 1 1 7 2107 1 1 15 LYS CB C -1.236 -12.235 5.326 1.00 . A A . 15 LYS CB 1 1 7 2108 1 1 15 LYS CD C -1.386 -13.604 3.245 1.00 . A A . 15 LYS CD 1 1 7 2109 1 1 15 LYS CE C -2.812 -14.048 3.539 1.00 . A A . 15 LYS CE 1 1 7 2110 1 1 15 LYS CG C -1.100 -12.233 3.817 1.00 . A A . 15 LYS CG 1 1 7 2111 1 1 15 LYS H H 0.440 -10.194 4.525 1.00 . A A . 15 LYS H 1 1 7 2112 1 1 15 LYS HA H -0.304 -11.451 7.082 1.00 . A A . 15 LYS HA 1 1 7 2113 1 1 15 LYS HB2 H -1.320 -13.260 5.655 1.00 . A A . 15 LYS HB2 1 1 7 2114 1 1 15 LYS HB3 H -2.140 -11.705 5.587 1.00 . A A . 15 LYS HB3 1 1 7 2115 1 1 15 LYS HD2 H -1.239 -13.572 2.176 1.00 . A A . 15 LYS HD2 1 1 7 2116 1 1 15 LYS HD3 H -0.696 -14.310 3.684 1.00 . A A . 15 LYS HD3 1 1 7 2117 1 1 15 LYS HE2 H -3.025 -13.858 4.580 1.00 . A A . 15 LYS HE2 1 1 7 2118 1 1 15 LYS HE3 H -3.488 -13.472 2.924 1.00 . A A . 15 LYS HE3 1 1 7 2119 1 1 15 LYS HG2 H -1.799 -11.522 3.400 1.00 . A A . 15 LYS HG2 1 1 7 2120 1 1 15 LYS HG3 H -0.092 -11.944 3.558 1.00 . A A . 15 LYS HG3 1 1 7 2121 1 1 15 LYS HZ1 H -4.000 -15.769 3.458 1.00 . A A . 15 LYS HZ1 1 1 7 2122 1 1 15 LYS HZ2 H -2.381 -16.065 3.864 1.00 . A A . 15 LYS HZ2 1 1 7 2123 1 1 15 LYS HZ3 H -2.801 -15.697 2.257 1.00 . A A . 15 LYS HZ3 1 1 7 2124 1 1 15 LYS N N 0.208 -10.269 5.472 1.00 . A A . 15 LYS N 1 1 7 2125 1 1 15 LYS NZ N -3.013 -15.492 3.259 1.00 . A A . 15 LYS NZ 1 1 7 2126 1 1 15 LYS O O 1.298 -13.491 6.604 1.00 . A A . 15 LYS O 1 1 7 2127 1 1 16 LYS C C 3.270 -14.160 4.457 1.00 . A A . 16 LYS C 1 1 7 2128 1 1 16 LYS CA C 3.403 -12.692 4.883 1.00 . A A . 16 LYS CA 1 1 7 2129 1 1 16 LYS CB C 4.243 -12.574 6.164 1.00 . A A . 16 LYS CB 1 1 7 2130 1 1 16 LYS CD C 6.450 -12.185 5.010 1.00 . A A . 16 LYS CD 1 1 7 2131 1 1 16 LYS CE C 7.822 -12.770 4.714 1.00 . A A . 16 LYS CE 1 1 7 2132 1 1 16 LYS CG C 5.684 -13.043 6.003 1.00 . A A . 16 LYS CG 1 1 7 2133 1 1 16 LYS H H 1.898 -11.260 4.518 1.00 . A A . 16 LYS H 1 1 7 2134 1 1 16 LYS HA H 3.916 -12.162 4.094 1.00 . A A . 16 LYS HA 1 1 7 2135 1 1 16 LYS HB2 H 4.258 -11.540 6.477 1.00 . A A . 16 LYS HB2 1 1 7 2136 1 1 16 LYS HB3 H 3.780 -13.167 6.937 1.00 . A A . 16 LYS HB3 1 1 7 2137 1 1 16 LYS HD2 H 5.889 -12.129 4.090 1.00 . A A . 16 LYS HD2 1 1 7 2138 1 1 16 LYS HD3 H 6.570 -11.195 5.425 1.00 . A A . 16 LYS HD3 1 1 7 2139 1 1 16 LYS HE2 H 7.691 -13.740 4.258 1.00 . A A . 16 LYS HE2 1 1 7 2140 1 1 16 LYS HE3 H 8.336 -12.117 4.025 1.00 . A A . 16 LYS HE3 1 1 7 2141 1 1 16 LYS HG2 H 6.178 -12.991 6.962 1.00 . A A . 16 LYS HG2 1 1 7 2142 1 1 16 LYS HG3 H 5.682 -14.067 5.655 1.00 . A A . 16 LYS HG3 1 1 7 2143 1 1 16 LYS HZ1 H 8.129 -13.475 6.661 1.00 . A A . 16 LYS HZ1 1 1 7 2144 1 1 16 LYS HZ2 H 8.892 -11.996 6.339 1.00 . A A . 16 LYS HZ2 1 1 7 2145 1 1 16 LYS HZ3 H 9.530 -13.434 5.711 1.00 . A A . 16 LYS HZ3 1 1 7 2146 1 1 16 LYS N N 2.104 -12.044 5.061 1.00 . A A . 16 LYS N 1 1 7 2147 1 1 16 LYS NZ N 8.647 -12.926 5.940 1.00 . A A . 16 LYS NZ 1 1 7 2148 1 1 16 LYS O O 3.681 -15.069 5.184 1.00 . A A . 16 LYS O 1 1 7 2149 1 1 17 TYR C C 2.123 -16.797 3.539 1.00 . A A . 17 TYR C 1 1 7 2150 1 1 17 TYR CA C 2.647 -15.693 2.627 1.00 . A A . 17 TYR CA 1 1 7 2151 1 1 17 TYR CB C 4.052 -16.052 2.137 1.00 . A A . 17 TYR CB 1 1 7 2152 1 1 17 TYR CD1 C 4.422 -15.232 -0.220 1.00 . A A . 17 TYR CD1 1 1 7 2153 1 1 17 TYR CD2 C 5.308 -13.938 1.574 1.00 . A A . 17 TYR CD2 1 1 7 2154 1 1 17 TYR CE1 C 4.917 -14.316 -1.127 1.00 . A A . 17 TYR CE1 1 1 7 2155 1 1 17 TYR CE2 C 5.807 -13.019 0.675 1.00 . A A . 17 TYR CE2 1 1 7 2156 1 1 17 TYR CG C 4.609 -15.059 1.145 1.00 . A A . 17 TYR CG 1 1 7 2157 1 1 17 TYR CZ C 5.609 -13.211 -0.676 1.00 . A A . 17 TYR CZ 1 1 7 2158 1 1 17 TYR H H 2.218 -13.628 2.837 1.00 . A A . 17 TYR H 1 1 7 2159 1 1 17 TYR HA H 1.993 -15.619 1.771 1.00 . A A . 17 TYR HA 1 1 7 2160 1 1 17 TYR HB2 H 4.723 -16.090 2.983 1.00 . A A . 17 TYR HB2 1 1 7 2161 1 1 17 TYR HB3 H 4.023 -17.022 1.660 1.00 . A A . 17 TYR HB3 1 1 7 2162 1 1 17 TYR HD1 H 3.881 -16.099 -0.573 1.00 . A A . 17 TYR HD1 1 1 7 2163 1 1 17 TYR HD2 H 5.462 -13.791 2.633 1.00 . A A . 17 TYR HD2 1 1 7 2164 1 1 17 TYR HE1 H 4.759 -14.467 -2.181 1.00 . A A . 17 TYR HE1 1 1 7 2165 1 1 17 TYR HE2 H 6.344 -12.156 1.033 1.00 . A A . 17 TYR HE2 1 1 7 2166 1 1 17 TYR HH H 7.008 -12.049 -1.319 1.00 . A A . 17 TYR HH 1 1 7 2167 1 1 17 TYR N N 2.666 -14.376 3.283 1.00 . A A . 17 TYR N 1 1 7 2168 1 1 17 TYR O O 2.490 -17.962 3.390 1.00 . A A . 17 TYR O 1 1 7 2169 1 1 17 TYR OH O 6.102 -12.293 -1.577 1.00 . A A . 17 TYR OH 1 1 7 2170 1 1 18 GLY C C -0.799 -17.419 5.320 1.00 . A A . 18 GLY C 1 1 7 2171 1 1 18 GLY CA C 0.706 -17.416 5.374 1.00 . A A . 18 GLY CA 1 1 7 2172 1 1 18 GLY H H 1.001 -15.496 4.535 1.00 . A A . 18 GLY H 1 1 7 2173 1 1 18 GLY HA2 H 1.073 -18.396 5.103 1.00 . A A . 18 GLY HA2 1 1 7 2174 1 1 18 GLY HA3 H 1.021 -17.187 6.381 1.00 . A A . 18 GLY HA3 1 1 7 2175 1 1 18 GLY N N 1.265 -16.435 4.469 1.00 . A A . 18 GLY N 1 1 7 2176 1 1 18 GLY O O -1.406 -18.500 5.442 1.00 . A A . 18 GLY O 1 1 7 2177 1 1 18 GLY OXT O -1.382 -16.332 5.149 1.00 . A A . 18 GLY OXT 1 1 8 2178 1 1 1 GLY C C 0.600 2.035 -5.890 1.00 . A A . 1 GLY C 1 1 8 2179 1 1 1 GLY CA C 0.813 3.321 -5.125 1.00 . A A . 1 GLY CA 1 1 8 2180 1 1 1 GLY H1 H -0.235 5.039 -4.580 1.00 . A A . 1 GLY H1 1 1 8 2181 1 1 1 GLY H2 H -1.209 3.665 -4.766 1.00 . A A . 1 GLY H2 1 1 8 2182 1 1 1 GLY H3 H -0.603 4.467 -6.131 1.00 . A A . 1 GLY H3 1 1 8 2183 1 1 1 GLY HA2 H 1.641 3.857 -5.563 1.00 . A A . 1 GLY HA2 1 1 8 2184 1 1 1 GLY HA3 H 1.052 3.084 -4.098 1.00 . A A . 1 GLY HA3 1 1 8 2185 1 1 1 GLY N N -0.391 4.182 -5.152 1.00 . A A . 1 GLY N 1 1 8 2186 1 1 1 GLY O O 0.034 2.044 -6.986 1.00 . A A . 1 GLY O 1 1 8 2187 1 1 2 GLY C C 2.076 -0.858 -6.675 1.00 . A A . 2 GLY C 1 1 8 2188 1 1 2 GLY CA C 0.839 -0.360 -5.956 1.00 . A A . 2 GLY CA 1 1 8 2189 1 1 2 GLY H H 1.533 0.977 -4.462 1.00 . A A . 2 GLY H 1 1 8 2190 1 1 2 GLY HA2 H 0.560 -1.082 -5.203 1.00 . A A . 2 GLY HA2 1 1 8 2191 1 1 2 GLY HA3 H 0.033 -0.270 -6.671 1.00 . A A . 2 GLY HA3 1 1 8 2192 1 1 2 GLY N N 1.046 0.924 -5.321 1.00 . A A . 2 GLY N 1 1 8 2193 1 1 2 GLY O O 2.947 -1.465 -6.060 1.00 . A A . 2 GLY O 1 1 8 2194 1 1 3 LEU C C 4.588 -0.408 -8.333 1.00 . A A . 3 LEU C 1 1 8 2195 1 1 3 LEU CA C 3.279 -1.040 -8.795 1.00 . A A . 3 LEU CA 1 1 8 2196 1 1 3 LEU CB C 3.050 -0.709 -10.278 1.00 . A A . 3 LEU CB 1 1 8 2197 1 1 3 LEU CD1 C 0.541 -0.726 -10.539 1.00 . A A . 3 LEU CD1 1 1 8 2198 1 1 3 LEU CD2 C 2.011 -1.362 -12.455 1.00 . A A . 3 LEU CD2 1 1 8 2199 1 1 3 LEU CG C 1.850 -1.391 -10.945 1.00 . A A . 3 LEU CG 1 1 8 2200 1 1 3 LEU H H 1.463 -0.025 -8.386 1.00 . A A . 3 LEU H 1 1 8 2201 1 1 3 LEU HA H 3.351 -2.110 -8.680 1.00 . A A . 3 LEU HA 1 1 8 2202 1 1 3 LEU HB2 H 2.916 0.359 -10.365 1.00 . A A . 3 LEU HB2 1 1 8 2203 1 1 3 LEU HB3 H 3.939 -0.985 -10.826 1.00 . A A . 3 LEU HB3 1 1 8 2204 1 1 3 LEU HD11 H 0.561 0.315 -10.826 1.00 . A A . 3 LEU HD11 1 1 8 2205 1 1 3 LEU HD12 H 0.413 -0.803 -9.469 1.00 . A A . 3 LEU HD12 1 1 8 2206 1 1 3 LEU HD13 H -0.281 -1.220 -11.036 1.00 . A A . 3 LEU HD13 1 1 8 2207 1 1 3 LEU HD21 H 2.920 -1.875 -12.730 1.00 . A A . 3 LEU HD21 1 1 8 2208 1 1 3 LEU HD22 H 2.060 -0.336 -12.791 1.00 . A A . 3 LEU HD22 1 1 8 2209 1 1 3 LEU HD23 H 1.167 -1.852 -12.914 1.00 . A A . 3 LEU HD23 1 1 8 2210 1 1 3 LEU HG H 1.812 -2.424 -10.631 1.00 . A A . 3 LEU HG 1 1 8 2211 1 1 3 LEU N N 2.164 -0.572 -7.971 1.00 . A A . 3 LEU N 1 1 8 2212 1 1 3 LEU O O 5.601 -1.086 -8.169 1.00 . A A . 3 LEU O 1 1 8 2213 1 1 4 ARG C C 6.011 1.296 -6.193 1.00 . A A . 4 ARG C 1 1 8 2214 1 1 4 ARG CA C 5.719 1.630 -7.653 1.00 . A A . 4 ARG CA 1 1 8 2215 1 1 4 ARG CB C 5.469 3.127 -7.820 1.00 . A A . 4 ARG CB 1 1 8 2216 1 1 4 ARG CD C 6.373 5.445 -7.818 1.00 . A A . 4 ARG CD 1 1 8 2217 1 1 4 ARG CG C 6.664 3.997 -7.492 1.00 . A A . 4 ARG CG 1 1 8 2218 1 1 4 ARG CZ C 5.472 6.732 -9.728 1.00 . A A . 4 ARG CZ 1 1 8 2219 1 1 4 ARG H H 3.714 1.385 -8.286 1.00 . A A . 4 ARG H 1 1 8 2220 1 1 4 ARG HA H 6.563 1.342 -8.260 1.00 . A A . 4 ARG HA 1 1 8 2221 1 1 4 ARG HB2 H 5.189 3.320 -8.846 1.00 . A A . 4 ARG HB2 1 1 8 2222 1 1 4 ARG HB3 H 4.653 3.419 -7.176 1.00 . A A . 4 ARG HB3 1 1 8 2223 1 1 4 ARG HD2 H 5.570 5.784 -7.182 1.00 . A A . 4 ARG HD2 1 1 8 2224 1 1 4 ARG HD3 H 7.260 6.027 -7.624 1.00 . A A . 4 ARG HD3 1 1 8 2225 1 1 4 ARG HE H 6.093 4.830 -9.814 1.00 . A A . 4 ARG HE 1 1 8 2226 1 1 4 ARG HG2 H 6.887 3.908 -6.439 1.00 . A A . 4 ARG HG2 1 1 8 2227 1 1 4 ARG HG3 H 7.511 3.666 -8.075 1.00 . A A . 4 ARG HG3 1 1 8 2228 1 1 4 ARG HH11 H 5.687 7.815 -8.027 1.00 . A A . 4 ARG HH11 1 1 8 2229 1 1 4 ARG HH12 H 4.995 8.667 -9.373 1.00 . A A . 4 ARG HH12 1 1 8 2230 1 1 4 ARG HH21 H 5.179 5.961 -11.582 1.00 . A A . 4 ARG HH21 1 1 8 2231 1 1 4 ARG HH22 H 4.669 7.612 -11.366 1.00 . A A . 4 ARG HH22 1 1 8 2232 1 1 4 ARG N N 4.552 0.895 -8.117 1.00 . A A . 4 ARG N 1 1 8 2233 1 1 4 ARG NE N 5.984 5.614 -9.219 1.00 . A A . 4 ARG NE 1 1 8 2234 1 1 4 ARG NH1 N 5.374 7.823 -8.981 1.00 . A A . 4 ARG NH1 1 1 8 2235 1 1 4 ARG NH2 N 5.084 6.771 -10.994 1.00 . A A . 4 ARG NH2 1 1 8 2236 1 1 4 ARG O O 7.150 1.367 -5.735 1.00 . A A . 4 ARG O 1 1 8 2237 1 1 5 SER C C 5.620 -0.832 -3.870 1.00 . A A . 5 SER C 1 1 8 2238 1 1 5 SER CA C 5.081 0.577 -4.068 1.00 . A A . 5 SER CA 1 1 8 2239 1 1 5 SER CB C 3.719 0.696 -3.394 1.00 . A A . 5 SER CB 1 1 8 2240 1 1 5 SER H H 4.095 0.841 -5.910 1.00 . A A . 5 SER H 1 1 8 2241 1 1 5 SER HA H 5.759 1.280 -3.610 1.00 . A A . 5 SER HA 1 1 8 2242 1 1 5 SER HB2 H 3.057 -0.059 -3.795 1.00 . A A . 5 SER HB2 1 1 8 2243 1 1 5 SER HB3 H 3.835 0.546 -2.332 1.00 . A A . 5 SER HB3 1 1 8 2244 1 1 5 SER HG H 3.563 2.618 -3.028 1.00 . A A . 5 SER HG 1 1 8 2245 1 1 5 SER N N 4.970 0.909 -5.477 1.00 . A A . 5 SER N 1 1 8 2246 1 1 5 SER O O 6.070 -1.159 -2.783 1.00 . A A . 5 SER O 1 1 8 2247 1 1 5 SER OG O 3.146 1.971 -3.620 1.00 . A A . 5 SER OG 1 1 8 2248 1 1 6 LEU C C 6.958 -3.467 -3.888 1.00 . A A . 6 LEU C 1 1 8 2249 1 1 6 LEU CA C 5.818 -3.098 -4.838 1.00 . A A . 6 LEU CA 1 1 8 2250 1 1 6 LEU CB C 6.103 -3.690 -6.220 1.00 . A A . 6 LEU CB 1 1 8 2251 1 1 6 LEU CD1 C 5.297 -4.427 -8.472 1.00 . A A . 6 LEU CD1 1 1 8 2252 1 1 6 LEU CD2 C 3.840 -4.721 -6.469 1.00 . A A . 6 LEU CD2 1 1 8 2253 1 1 6 LEU CG C 4.886 -3.843 -7.131 1.00 . A A . 6 LEU CG 1 1 8 2254 1 1 6 LEU H H 5.365 -1.255 -5.808 1.00 . A A . 6 LEU H 1 1 8 2255 1 1 6 LEU HA H 4.912 -3.550 -4.461 1.00 . A A . 6 LEU HA 1 1 8 2256 1 1 6 LEU HB2 H 6.820 -3.056 -6.718 1.00 . A A . 6 LEU HB2 1 1 8 2257 1 1 6 LEU HB3 H 6.543 -4.666 -6.083 1.00 . A A . 6 LEU HB3 1 1 8 2258 1 1 6 LEU HD11 H 5.735 -5.403 -8.321 1.00 . A A . 6 LEU HD11 1 1 8 2259 1 1 6 LEU HD12 H 6.021 -3.777 -8.940 1.00 . A A . 6 LEU HD12 1 1 8 2260 1 1 6 LEU HD13 H 4.429 -4.515 -9.109 1.00 . A A . 6 LEU HD13 1 1 8 2261 1 1 6 LEU HD21 H 3.560 -4.292 -5.519 1.00 . A A . 6 LEU HD21 1 1 8 2262 1 1 6 LEU HD22 H 4.248 -5.708 -6.314 1.00 . A A . 6 LEU HD22 1 1 8 2263 1 1 6 LEU HD23 H 2.970 -4.787 -7.106 1.00 . A A . 6 LEU HD23 1 1 8 2264 1 1 6 LEU HG H 4.447 -2.870 -7.308 1.00 . A A . 6 LEU HG 1 1 8 2265 1 1 6 LEU N N 5.569 -1.646 -4.928 1.00 . A A . 6 LEU N 1 1 8 2266 1 1 6 LEU O O 6.766 -4.274 -2.980 1.00 . A A . 6 LEU O 1 1 8 2267 1 1 7 GLY C C 9.034 -2.937 -1.780 1.00 . A A . 7 GLY C 1 1 8 2268 1 1 7 GLY CA C 9.281 -3.197 -3.255 1.00 . A A . 7 GLY CA 1 1 8 2269 1 1 7 GLY H H 8.219 -2.210 -4.808 1.00 . A A . 7 GLY H 1 1 8 2270 1 1 7 GLY HA2 H 9.526 -4.240 -3.386 1.00 . A A . 7 GLY HA2 1 1 8 2271 1 1 7 GLY HA3 H 10.121 -2.601 -3.580 1.00 . A A . 7 GLY HA3 1 1 8 2272 1 1 7 GLY N N 8.130 -2.874 -4.087 1.00 . A A . 7 GLY N 1 1 8 2273 1 1 7 GLY O O 9.400 -3.749 -0.930 1.00 . A A . 7 GLY O 1 1 8 2274 1 1 8 ARG C C 6.844 -2.038 0.421 1.00 . A A . 8 ARG C 1 1 8 2275 1 1 8 ARG CA C 8.139 -1.424 -0.101 1.00 . A A . 8 ARG CA 1 1 8 2276 1 1 8 ARG CB C 8.088 0.097 0.012 1.00 . A A . 8 ARG CB 1 1 8 2277 1 1 8 ARG CD C 9.330 2.268 -0.194 1.00 . A A . 8 ARG CD 1 1 8 2278 1 1 8 ARG CG C 9.441 0.755 -0.185 1.00 . A A . 8 ARG CG 1 1 8 2279 1 1 8 ARG CZ C 7.923 3.855 -1.453 1.00 . A A . 8 ARG CZ 1 1 8 2280 1 1 8 ARG H H 8.066 -1.248 -2.210 1.00 . A A . 8 ARG H 1 1 8 2281 1 1 8 ARG HA H 8.960 -1.791 0.500 1.00 . A A . 8 ARG HA 1 1 8 2282 1 1 8 ARG HB2 H 7.411 0.482 -0.735 1.00 . A A . 8 ARG HB2 1 1 8 2283 1 1 8 ARG HB3 H 7.722 0.363 0.992 1.00 . A A . 8 ARG HB3 1 1 8 2284 1 1 8 ARG HD2 H 8.751 2.578 0.662 1.00 . A A . 8 ARG HD2 1 1 8 2285 1 1 8 ARG HD3 H 10.323 2.689 -0.126 1.00 . A A . 8 ARG HD3 1 1 8 2286 1 1 8 ARG HE H 8.856 2.266 -2.244 1.00 . A A . 8 ARG HE 1 1 8 2287 1 1 8 ARG HG2 H 10.096 0.456 0.621 1.00 . A A . 8 ARG HG2 1 1 8 2288 1 1 8 ARG HG3 H 9.855 0.428 -1.126 1.00 . A A . 8 ARG HG3 1 1 8 2289 1 1 8 ARG HH11 H 8.008 4.222 0.544 1.00 . A A . 8 ARG HH11 1 1 8 2290 1 1 8 ARG HH12 H 7.081 5.357 -0.390 1.00 . A A . 8 ARG HH12 1 1 8 2291 1 1 8 ARG HH21 H 7.641 3.779 -3.457 1.00 . A A . 8 ARG HH21 1 1 8 2292 1 1 8 ARG HH22 H 6.846 5.090 -2.643 1.00 . A A . 8 ARG HH22 1 1 8 2293 1 1 8 ARG N N 8.391 -1.819 -1.481 1.00 . A A . 8 ARG N 1 1 8 2294 1 1 8 ARG NE N 8.685 2.765 -1.408 1.00 . A A . 8 ARG NE 1 1 8 2295 1 1 8 ARG NH1 N 7.646 4.529 -0.345 1.00 . A A . 8 ARG NH1 1 1 8 2296 1 1 8 ARG NH2 N 7.433 4.276 -2.612 1.00 . A A . 8 ARG NH2 1 1 8 2297 1 1 8 ARG O O 6.664 -2.193 1.626 1.00 . A A . 8 ARG O 1 1 8 2298 1 1 9 LYS C C 4.969 -4.381 0.539 1.00 . A A . 9 LYS C 1 1 8 2299 1 1 9 LYS CA C 4.690 -3.036 -0.129 1.00 . A A . 9 LYS CA 1 1 8 2300 1 1 9 LYS CB C 3.809 -3.247 -1.366 1.00 . A A . 9 LYS CB 1 1 8 2301 1 1 9 LYS CD C 1.621 -4.131 -2.281 1.00 . A A . 9 LYS CD 1 1 8 2302 1 1 9 LYS CE C 2.246 -5.303 -3.018 1.00 . A A . 9 LYS CE 1 1 8 2303 1 1 9 LYS CG C 2.414 -3.767 -1.034 1.00 . A A . 9 LYS CG 1 1 8 2304 1 1 9 LYS H H 6.142 -2.221 -1.444 1.00 . A A . 9 LYS H 1 1 8 2305 1 1 9 LYS HA H 4.176 -2.384 0.566 1.00 . A A . 9 LYS HA 1 1 8 2306 1 1 9 LYS HB2 H 3.705 -2.306 -1.885 1.00 . A A . 9 LYS HB2 1 1 8 2307 1 1 9 LYS HB3 H 4.292 -3.959 -2.018 1.00 . A A . 9 LYS HB3 1 1 8 2308 1 1 9 LYS HD2 H 0.615 -4.395 -1.993 1.00 . A A . 9 LYS HD2 1 1 8 2309 1 1 9 LYS HD3 H 1.595 -3.276 -2.941 1.00 . A A . 9 LYS HD3 1 1 8 2310 1 1 9 LYS HE2 H 3.175 -4.979 -3.461 1.00 . A A . 9 LYS HE2 1 1 8 2311 1 1 9 LYS HE3 H 2.441 -6.094 -2.310 1.00 . A A . 9 LYS HE3 1 1 8 2312 1 1 9 LYS HG2 H 2.510 -4.648 -0.418 1.00 . A A . 9 LYS HG2 1 1 8 2313 1 1 9 LYS HG3 H 1.877 -3.004 -0.488 1.00 . A A . 9 LYS HG3 1 1 8 2314 1 1 9 LYS HZ1 H 1.842 -6.564 -4.630 1.00 . A A . 9 LYS HZ1 1 1 8 2315 1 1 9 LYS HZ2 H 1.080 -5.051 -4.739 1.00 . A A . 9 LYS HZ2 1 1 8 2316 1 1 9 LYS HZ3 H 0.491 -6.228 -3.664 1.00 . A A . 9 LYS HZ3 1 1 8 2317 1 1 9 LYS N N 5.951 -2.398 -0.494 1.00 . A A . 9 LYS N 1 1 8 2318 1 1 9 LYS NZ N 1.355 -5.821 -4.087 1.00 . A A . 9 LYS NZ 1 1 8 2319 1 1 9 LYS O O 4.201 -4.848 1.378 1.00 . A A . 9 LYS O 1 1 8 2320 1 1 10 ILE C C 7.002 -6.173 2.116 1.00 . A A . 10 ILE C 1 1 8 2321 1 1 10 ILE CA C 6.487 -6.286 0.676 1.00 . A A . 10 ILE CA 1 1 8 2322 1 1 10 ILE CB C 7.580 -6.928 -0.221 1.00 . A A . 10 ILE CB 1 1 8 2323 1 1 10 ILE CD1 C 5.842 -7.933 -1.807 1.00 . A A . 10 ILE CD1 1 1 8 2324 1 1 10 ILE CG1 C 7.077 -7.064 -1.664 1.00 . A A . 10 ILE CG1 1 1 8 2325 1 1 10 ILE CG2 C 8.012 -8.288 0.317 1.00 . A A . 10 ILE CG2 1 1 8 2326 1 1 10 ILE H H 6.658 -4.545 -0.513 1.00 . A A . 10 ILE H 1 1 8 2327 1 1 10 ILE HA H 5.619 -6.930 0.665 1.00 . A A . 10 ILE HA 1 1 8 2328 1 1 10 ILE HB H 8.442 -6.277 -0.210 1.00 . A A . 10 ILE HB 1 1 8 2329 1 1 10 ILE HD11 H 5.035 -7.505 -1.233 1.00 . A A . 10 ILE HD11 1 1 8 2330 1 1 10 ILE HD12 H 6.056 -8.928 -1.441 1.00 . A A . 10 ILE HD12 1 1 8 2331 1 1 10 ILE HD13 H 5.557 -7.984 -2.846 1.00 . A A . 10 ILE HD13 1 1 8 2332 1 1 10 ILE HG12 H 6.839 -6.084 -2.048 1.00 . A A . 10 ILE HG12 1 1 8 2333 1 1 10 ILE HG13 H 7.858 -7.499 -2.270 1.00 . A A . 10 ILE HG13 1 1 8 2334 1 1 10 ILE HG21 H 8.416 -8.173 1.311 1.00 . A A . 10 ILE HG21 1 1 8 2335 1 1 10 ILE HG22 H 8.768 -8.708 -0.331 1.00 . A A . 10 ILE HG22 1 1 8 2336 1 1 10 ILE HG23 H 7.159 -8.951 0.347 1.00 . A A . 10 ILE HG23 1 1 8 2337 1 1 10 ILE N N 6.086 -4.986 0.155 1.00 . A A . 10 ILE N 1 1 8 2338 1 1 10 ILE O O 6.980 -7.141 2.874 1.00 . A A . 10 ILE O 1 1 8 2339 1 1 11 LEU C C 7.133 -4.929 4.967 1.00 . A A . 11 LEU C 1 1 8 2340 1 1 11 LEU CA C 8.082 -4.756 3.782 1.00 . A A . 11 LEU CA 1 1 8 2341 1 1 11 LEU CB C 8.716 -3.364 3.821 1.00 . A A . 11 LEU CB 1 1 8 2342 1 1 11 LEU CD1 C 10.337 -1.691 2.886 1.00 . A A . 11 LEU CD1 1 1 8 2343 1 1 11 LEU CD2 C 10.879 -4.133 2.796 1.00 . A A . 11 LEU CD2 1 1 8 2344 1 1 11 LEU CG C 9.768 -3.095 2.739 1.00 . A A . 11 LEU CG 1 1 8 2345 1 1 11 LEU H H 7.271 -4.206 1.902 1.00 . A A . 11 LEU H 1 1 8 2346 1 1 11 LEU HA H 8.865 -5.492 3.866 1.00 . A A . 11 LEU HA 1 1 8 2347 1 1 11 LEU HB2 H 7.929 -2.631 3.717 1.00 . A A . 11 LEU HB2 1 1 8 2348 1 1 11 LEU HB3 H 9.182 -3.231 4.786 1.00 . A A . 11 LEU HB3 1 1 8 2349 1 1 11 LEU HD11 H 10.792 -1.584 3.861 1.00 . A A . 11 LEU HD11 1 1 8 2350 1 1 11 LEU HD12 H 9.540 -0.970 2.782 1.00 . A A . 11 LEU HD12 1 1 8 2351 1 1 11 LEU HD13 H 11.080 -1.519 2.120 1.00 . A A . 11 LEU HD13 1 1 8 2352 1 1 11 LEU HD21 H 11.309 -4.146 3.787 1.00 . A A . 11 LEU HD21 1 1 8 2353 1 1 11 LEU HD22 H 11.643 -3.883 2.075 1.00 . A A . 11 LEU HD22 1 1 8 2354 1 1 11 LEU HD23 H 10.471 -5.106 2.569 1.00 . A A . 11 LEU HD23 1 1 8 2355 1 1 11 LEU HG H 9.301 -3.160 1.768 1.00 . A A . 11 LEU HG 1 1 8 2356 1 1 11 LEU N N 7.418 -4.973 2.498 1.00 . A A . 11 LEU N 1 1 8 2357 1 1 11 LEU O O 7.578 -5.118 6.100 1.00 . A A . 11 LEU O 1 1 8 2358 1 1 12 ARG C C 4.502 -6.436 6.075 1.00 . A A . 12 ARG C 1 1 8 2359 1 1 12 ARG CA C 4.860 -4.973 5.796 1.00 . A A . 12 ARG CA 1 1 8 2360 1 1 12 ARG CB C 3.601 -4.153 5.498 1.00 . A A . 12 ARG CB 1 1 8 2361 1 1 12 ARG CD C 1.674 -3.663 3.965 1.00 . A A . 12 ARG CD 1 1 8 2362 1 1 12 ARG CG C 2.929 -4.490 4.178 1.00 . A A . 12 ARG CG 1 1 8 2363 1 1 12 ARG CZ C -0.503 -3.281 5.069 1.00 . A A . 12 ARG CZ 1 1 8 2364 1 1 12 ARG H H 5.524 -4.716 3.797 1.00 . A A . 12 ARG H 1 1 8 2365 1 1 12 ARG HA H 5.327 -4.570 6.681 1.00 . A A . 12 ARG HA 1 1 8 2366 1 1 12 ARG HB2 H 2.886 -4.322 6.289 1.00 . A A . 12 ARG HB2 1 1 8 2367 1 1 12 ARG HB3 H 3.865 -3.105 5.486 1.00 . A A . 12 ARG HB3 1 1 8 2368 1 1 12 ARG HD2 H 1.930 -2.619 4.047 1.00 . A A . 12 ARG HD2 1 1 8 2369 1 1 12 ARG HD3 H 1.293 -3.863 2.975 1.00 . A A . 12 ARG HD3 1 1 8 2370 1 1 12 ARG HE H 0.778 -4.759 5.531 1.00 . A A . 12 ARG HE 1 1 8 2371 1 1 12 ARG HG2 H 3.617 -4.295 3.370 1.00 . A A . 12 ARG HG2 1 1 8 2372 1 1 12 ARG HG3 H 2.662 -5.536 4.181 1.00 . A A . 12 ARG HG3 1 1 8 2373 1 1 12 ARG HH11 H 0.031 -1.828 3.750 1.00 . A A . 12 ARG HH11 1 1 8 2374 1 1 12 ARG HH12 H -1.542 -1.647 4.466 1.00 . A A . 12 ARG HH12 1 1 8 2375 1 1 12 ARG HH21 H -1.294 -4.504 6.475 1.00 . A A . 12 ARG HH21 1 1 8 2376 1 1 12 ARG HH22 H -2.297 -3.163 6.009 1.00 . A A . 12 ARG HH22 1 1 8 2377 1 1 12 ARG N N 5.832 -4.853 4.717 1.00 . A A . 12 ARG N 1 1 8 2378 1 1 12 ARG NE N 0.632 -3.972 4.947 1.00 . A A . 12 ARG NE 1 1 8 2379 1 1 12 ARG NH1 N -0.686 -2.165 4.372 1.00 . A A . 12 ARG NH1 1 1 8 2380 1 1 12 ARG NH2 N -1.437 -3.683 5.921 1.00 . A A . 12 ARG NH2 1 1 8 2381 1 1 12 ARG O O 4.391 -6.829 7.237 1.00 . A A . 12 ARG O 1 1 8 2382 1 1 13 ALA C C 2.943 -8.966 6.142 1.00 . A A . 13 ALA C 1 1 8 2383 1 1 13 ALA CA C 4.025 -8.660 5.106 1.00 . A A . 13 ALA CA 1 1 8 2384 1 1 13 ALA CB C 5.293 -9.445 5.411 1.00 . A A . 13 ALA CB 1 1 8 2385 1 1 13 ALA H H 4.417 -6.828 4.116 1.00 . A A . 13 ALA H 1 1 8 2386 1 1 13 ALA HA H 3.658 -8.989 4.137 1.00 . A A . 13 ALA HA 1 1 8 2387 1 1 13 ALA HB1 H 5.659 -9.171 6.389 1.00 . A A . 13 ALA HB1 1 1 8 2388 1 1 13 ALA HB2 H 6.044 -9.215 4.668 1.00 . A A . 13 ALA HB2 1 1 8 2389 1 1 13 ALA HB3 H 5.077 -10.502 5.391 1.00 . A A . 13 ALA HB3 1 1 8 2390 1 1 13 ALA N N 4.327 -7.224 5.005 1.00 . A A . 13 ALA N 1 1 8 2391 1 1 13 ALA O O 3.233 -9.375 7.267 1.00 . A A . 13 ALA O 1 1 8 2392 1 1 14 TRP C C 0.474 -10.486 7.013 1.00 . A A . 14 TRP C 1 1 8 2393 1 1 14 TRP CA C 0.543 -9.015 6.607 1.00 . A A . 14 TRP CA 1 1 8 2394 1 1 14 TRP CB C -0.747 -8.600 5.883 1.00 . A A . 14 TRP CB 1 1 8 2395 1 1 14 TRP CD1 C -0.322 -7.008 3.924 1.00 . A A . 14 TRP CD1 1 1 8 2396 1 1 14 TRP CD2 C -0.472 -9.158 3.324 1.00 . A A . 14 TRP CD2 1 1 8 2397 1 1 14 TRP CE2 C -0.227 -8.387 2.174 1.00 . A A . 14 TRP CE2 1 1 8 2398 1 1 14 TRP CE3 C -0.599 -10.540 3.188 1.00 . A A . 14 TRP CE3 1 1 8 2399 1 1 14 TRP CG C -0.528 -8.254 4.438 1.00 . A A . 14 TRP CG 1 1 8 2400 1 1 14 TRP CH2 C -0.236 -10.308 0.808 1.00 . A A . 14 TRP CH2 1 1 8 2401 1 1 14 TRP CZ2 C -0.110 -8.953 0.910 1.00 . A A . 14 TRP CZ2 1 1 8 2402 1 1 14 TRP CZ3 C -0.484 -11.101 1.931 1.00 . A A . 14 TRP CZ3 1 1 8 2403 1 1 14 TRP H H 1.543 -8.391 4.849 1.00 . A A . 14 TRP H 1 1 8 2404 1 1 14 TRP HA H 0.654 -8.413 7.496 1.00 . A A . 14 TRP HA 1 1 8 2405 1 1 14 TRP HB2 H -1.459 -9.409 5.930 1.00 . A A . 14 TRP HB2 1 1 8 2406 1 1 14 TRP HB3 H -1.164 -7.730 6.373 1.00 . A A . 14 TRP HB3 1 1 8 2407 1 1 14 TRP HD1 H -0.305 -6.104 4.517 1.00 . A A . 14 TRP HD1 1 1 8 2408 1 1 14 TRP HE1 H 0.018 -6.313 1.973 1.00 . A A . 14 TRP HE1 1 1 8 2409 1 1 14 TRP HE3 H -0.793 -11.170 4.044 1.00 . A A . 14 TRP HE3 1 1 8 2410 1 1 14 TRP HH2 H -0.152 -10.787 -0.156 1.00 . A A . 14 TRP HH2 1 1 8 2411 1 1 14 TRP HZ2 H 0.086 -8.358 0.036 1.00 . A A . 14 TRP HZ2 1 1 8 2412 1 1 14 TRP HZ3 H -0.579 -12.170 1.809 1.00 . A A . 14 TRP HZ3 1 1 8 2413 1 1 14 TRP N N 1.697 -8.755 5.746 1.00 . A A . 14 TRP N 1 1 8 2414 1 1 14 TRP NE1 N -0.143 -7.078 2.566 1.00 . A A . 14 TRP NE1 1 1 8 2415 1 1 14 TRP O O 0.658 -10.833 8.181 1.00 . A A . 14 TRP O 1 1 8 2416 1 1 15 LYS C C 1.511 -13.412 6.064 1.00 . A A . 15 LYS C 1 1 8 2417 1 1 15 LYS CA C 0.145 -12.785 6.265 1.00 . A A . 15 LYS CA 1 1 8 2418 1 1 15 LYS CB C -0.817 -13.432 5.277 1.00 . A A . 15 LYS CB 1 1 8 2419 1 1 15 LYS CD C -2.907 -13.025 3.985 1.00 . A A . 15 LYS CD 1 1 8 2420 1 1 15 LYS CE C -2.916 -14.464 3.480 1.00 . A A . 15 LYS CE 1 1 8 2421 1 1 15 LYS CG C -2.235 -12.904 5.340 1.00 . A A . 15 LYS CG 1 1 8 2422 1 1 15 LYS H H 0.046 -10.999 5.141 1.00 . A A . 15 LYS H 1 1 8 2423 1 1 15 LYS HA H -0.195 -12.964 7.272 1.00 . A A . 15 LYS HA 1 1 8 2424 1 1 15 LYS HB2 H -0.446 -13.273 4.275 1.00 . A A . 15 LYS HB2 1 1 8 2425 1 1 15 LYS HB3 H -0.847 -14.495 5.471 1.00 . A A . 15 LYS HB3 1 1 8 2426 1 1 15 LYS HD2 H -3.923 -12.671 4.062 1.00 . A A . 15 LYS HD2 1 1 8 2427 1 1 15 LYS HD3 H -2.358 -12.408 3.279 1.00 . A A . 15 LYS HD3 1 1 8 2428 1 1 15 LYS HE2 H -3.448 -14.497 2.542 1.00 . A A . 15 LYS HE2 1 1 8 2429 1 1 15 LYS HE3 H -1.894 -14.781 3.323 1.00 . A A . 15 LYS HE3 1 1 8 2430 1 1 15 LYS HG2 H -2.793 -13.478 6.065 1.00 . A A . 15 LYS HG2 1 1 8 2431 1 1 15 LYS HG3 H -2.213 -11.866 5.634 1.00 . A A . 15 LYS HG3 1 1 8 2432 1 1 15 LYS HZ1 H -3.567 -16.367 4.057 1.00 . A A . 15 LYS HZ1 1 1 8 2433 1 1 15 LYS HZ2 H -4.556 -15.106 4.604 1.00 . A A . 15 LYS HZ2 1 1 8 2434 1 1 15 LYS HZ3 H -3.063 -15.394 5.349 1.00 . A A . 15 LYS HZ3 1 1 8 2435 1 1 15 LYS N N 0.211 -11.345 6.040 1.00 . A A . 15 LYS N 1 1 8 2436 1 1 15 LYS NZ N -3.571 -15.394 4.439 1.00 . A A . 15 LYS NZ 1 1 8 2437 1 1 15 LYS O O 1.710 -14.590 6.356 1.00 . A A . 15 LYS O 1 1 8 2438 1 1 16 LYS C C 3.647 -13.953 3.886 1.00 . A A . 16 LYS C 1 1 8 2439 1 1 16 LYS CA C 3.760 -13.084 5.142 1.00 . A A . 16 LYS CA 1 1 8 2440 1 1 16 LYS CB C 4.447 -13.832 6.297 1.00 . A A . 16 LYS CB 1 1 8 2441 1 1 16 LYS CD C 6.741 -12.878 5.840 1.00 . A A . 16 LYS CD 1 1 8 2442 1 1 16 LYS CE C 8.190 -13.207 5.516 1.00 . A A . 16 LYS CE 1 1 8 2443 1 1 16 LYS CG C 5.919 -14.142 6.054 1.00 . A A . 16 LYS CG 1 1 8 2444 1 1 16 LYS H H 2.206 -11.667 5.381 1.00 . A A . 16 LYS H 1 1 8 2445 1 1 16 LYS HA H 4.345 -12.211 4.892 1.00 . A A . 16 LYS HA 1 1 8 2446 1 1 16 LYS HB2 H 4.374 -13.231 7.192 1.00 . A A . 16 LYS HB2 1 1 8 2447 1 1 16 LYS HB3 H 3.928 -14.765 6.461 1.00 . A A . 16 LYS HB3 1 1 8 2448 1 1 16 LYS HD2 H 6.319 -12.320 5.019 1.00 . A A . 16 LYS HD2 1 1 8 2449 1 1 16 LYS HD3 H 6.709 -12.281 6.740 1.00 . A A . 16 LYS HD3 1 1 8 2450 1 1 16 LYS HE2 H 8.223 -13.752 4.585 1.00 . A A . 16 LYS HE2 1 1 8 2451 1 1 16 LYS HE3 H 8.741 -12.283 5.410 1.00 . A A . 16 LYS HE3 1 1 8 2452 1 1 16 LYS HG2 H 6.310 -14.671 6.910 1.00 . A A . 16 LYS HG2 1 1 8 2453 1 1 16 LYS HG3 H 6.002 -14.768 5.176 1.00 . A A . 16 LYS HG3 1 1 8 2454 1 1 16 LYS HZ1 H 8.719 -13.560 7.507 1.00 . A A . 16 LYS HZ1 1 1 8 2455 1 1 16 LYS HZ2 H 9.838 -14.160 6.381 1.00 . A A . 16 LYS HZ2 1 1 8 2456 1 1 16 LYS HZ3 H 8.368 -14.969 6.624 1.00 . A A . 16 LYS HZ3 1 1 8 2457 1 1 16 LYS N N 2.432 -12.612 5.528 1.00 . A A . 16 LYS N 1 1 8 2458 1 1 16 LYS NZ N 8.821 -14.030 6.581 1.00 . A A . 16 LYS NZ 1 1 8 2459 1 1 16 LYS O O 4.505 -14.785 3.593 1.00 . A A . 16 LYS O 1 1 8 2460 1 1 17 TYR C C 2.141 -15.783 1.853 1.00 . A A . 17 TYR C 1 1 8 2461 1 1 17 TYR CA C 2.376 -14.279 1.802 1.00 . A A . 17 TYR CA 1 1 8 2462 1 1 17 TYR CB C 3.570 -13.911 0.915 1.00 . A A . 17 TYR CB 1 1 8 2463 1 1 17 TYR CD1 C 3.053 -11.496 0.419 1.00 . A A . 17 TYR CD1 1 1 8 2464 1 1 17 TYR CD2 C 4.988 -11.982 1.722 1.00 . A A . 17 TYR CD2 1 1 8 2465 1 1 17 TYR CE1 C 3.303 -10.146 0.547 1.00 . A A . 17 TYR CE1 1 1 8 2466 1 1 17 TYR CE2 C 5.249 -10.635 1.845 1.00 . A A . 17 TYR CE2 1 1 8 2467 1 1 17 TYR CG C 3.888 -12.435 1.004 1.00 . A A . 17 TYR CG 1 1 8 2468 1 1 17 TYR CZ C 4.401 -9.722 1.260 1.00 . A A . 17 TYR CZ 1 1 8 2469 1 1 17 TYR H H 1.867 -13.142 3.506 1.00 . A A . 17 TYR H 1 1 8 2470 1 1 17 TYR HA H 1.490 -13.819 1.388 1.00 . A A . 17 TYR HA 1 1 8 2471 1 1 17 TYR HB2 H 4.441 -14.467 1.233 1.00 . A A . 17 TYR HB2 1 1 8 2472 1 1 17 TYR HB3 H 3.343 -14.148 -0.112 1.00 . A A . 17 TYR HB3 1 1 8 2473 1 1 17 TYR HD1 H 2.194 -11.833 -0.142 1.00 . A A . 17 TYR HD1 1 1 8 2474 1 1 17 TYR HD2 H 5.647 -12.701 2.181 1.00 . A A . 17 TYR HD2 1 1 8 2475 1 1 17 TYR HE1 H 2.643 -9.428 0.082 1.00 . A A . 17 TYR HE1 1 1 8 2476 1 1 17 TYR HE2 H 6.112 -10.299 2.402 1.00 . A A . 17 TYR HE2 1 1 8 2477 1 1 17 TYR HH H 5.588 -8.218 1.401 1.00 . A A . 17 TYR HH 1 1 8 2478 1 1 17 TYR N N 2.564 -13.716 3.141 1.00 . A A . 17 TYR N 1 1 8 2479 1 1 17 TYR O O 2.372 -16.502 0.879 1.00 . A A . 17 TYR O 1 1 8 2480 1 1 17 TYR OH O 4.637 -8.380 1.409 1.00 . A A . 17 TYR OH 1 1 8 2481 1 1 18 GLY C C -0.229 -17.663 3.580 1.00 . A A . 18 GLY C 1 1 8 2482 1 1 18 GLY CA C 1.212 -17.606 3.125 1.00 . A A . 18 GLY CA 1 1 8 2483 1 1 18 GLY H H 1.574 -15.636 3.756 1.00 . A A . 18 GLY H 1 1 8 2484 1 1 18 GLY HA2 H 1.307 -18.104 2.170 1.00 . A A . 18 GLY HA2 1 1 8 2485 1 1 18 GLY HA3 H 1.832 -18.109 3.851 1.00 . A A . 18 GLY HA3 1 1 8 2486 1 1 18 GLY N N 1.647 -16.239 2.991 1.00 . A A . 18 GLY N 1 1 8 2487 1 1 18 GLY O O -0.646 -16.759 4.334 1.00 . A A . 18 GLY O 1 1 8 2488 1 1 18 GLY OXT O -0.960 -18.585 3.166 1.00 . A A . 18 GLY OXT 1 1 9 2489 1 1 1 GLY C C 1.045 2.822 -4.349 1.00 . A A . 1 GLY C 1 1 9 2490 1 1 1 GLY CA C 1.296 3.230 -2.914 1.00 . A A . 1 GLY CA 1 1 9 2491 1 1 1 GLY H1 H 2.503 4.862 -3.372 1.00 . A A . 1 GLY H1 1 1 9 2492 1 1 1 GLY H2 H 1.836 4.913 -1.812 1.00 . A A . 1 GLY H2 1 1 9 2493 1 1 1 GLY H3 H 0.865 5.248 -3.163 1.00 . A A . 1 GLY H3 1 1 9 2494 1 1 1 GLY HA2 H 2.105 2.635 -2.515 1.00 . A A . 1 GLY HA2 1 1 9 2495 1 1 1 GLY HA3 H 0.405 3.045 -2.335 1.00 . A A . 1 GLY HA3 1 1 9 2496 1 1 1 GLY N N 1.650 4.662 -2.805 1.00 . A A . 1 GLY N 1 1 9 2497 1 1 1 GLY O O 1.031 3.669 -5.245 1.00 . A A . 1 GLY O 1 1 9 2498 1 1 2 GLY C C 1.599 0.096 -6.448 1.00 . A A . 2 GLY C 1 1 9 2499 1 1 2 GLY CA C 0.561 1.057 -5.910 1.00 . A A . 2 GLY CA 1 1 9 2500 1 1 2 GLY H H 0.968 0.890 -3.839 1.00 . A A . 2 GLY H 1 1 9 2501 1 1 2 GLY HA2 H -0.397 0.557 -5.886 1.00 . A A . 2 GLY HA2 1 1 9 2502 1 1 2 GLY HA3 H 0.496 1.905 -6.575 1.00 . A A . 2 GLY HA3 1 1 9 2503 1 1 2 GLY N N 0.870 1.530 -4.579 1.00 . A A . 2 GLY N 1 1 9 2504 1 1 2 GLY O O 2.355 -0.502 -5.685 1.00 . A A . 2 GLY O 1 1 9 2505 1 1 3 LEU C C 4.003 -0.669 -8.211 1.00 . A A . 3 LEU C 1 1 9 2506 1 1 3 LEU CA C 2.524 -0.998 -8.420 1.00 . A A . 3 LEU CA 1 1 9 2507 1 1 3 LEU CB C 2.182 -1.105 -9.919 1.00 . A A . 3 LEU CB 1 1 9 2508 1 1 3 LEU CD1 C 3.510 0.609 -11.211 1.00 . A A . 3 LEU CD1 1 1 9 2509 1 1 3 LEU CD2 C 1.160 0.098 -11.867 1.00 . A A . 3 LEU CD2 1 1 9 2510 1 1 3 LEU CG C 2.132 0.213 -10.705 1.00 . A A . 3 LEU CG 1 1 9 2511 1 1 3 LEU H H 1.059 0.533 -8.324 1.00 . A A . 3 LEU H 1 1 9 2512 1 1 3 LEU HA H 2.330 -1.957 -7.963 1.00 . A A . 3 LEU HA 1 1 9 2513 1 1 3 LEU HB2 H 2.919 -1.742 -10.385 1.00 . A A . 3 LEU HB2 1 1 9 2514 1 1 3 LEU HB3 H 1.218 -1.583 -10.008 1.00 . A A . 3 LEU HB3 1 1 9 2515 1 1 3 LEU HD11 H 3.432 1.518 -11.787 1.00 . A A . 3 LEU HD11 1 1 9 2516 1 1 3 LEU HD12 H 3.904 -0.180 -11.834 1.00 . A A . 3 LEU HD12 1 1 9 2517 1 1 3 LEU HD13 H 4.169 0.769 -10.371 1.00 . A A . 3 LEU HD13 1 1 9 2518 1 1 3 LEU HD21 H 1.131 1.034 -12.405 1.00 . A A . 3 LEU HD21 1 1 9 2519 1 1 3 LEU HD22 H 0.174 -0.131 -11.490 1.00 . A A . 3 LEU HD22 1 1 9 2520 1 1 3 LEU HD23 H 1.484 -0.689 -12.531 1.00 . A A . 3 LEU HD23 1 1 9 2521 1 1 3 LEU HG H 1.780 0.999 -10.052 1.00 . A A . 3 LEU HG 1 1 9 2522 1 1 3 LEU N N 1.648 -0.032 -7.768 1.00 . A A . 3 LEU N 1 1 9 2523 1 1 3 LEU O O 4.830 -1.569 -8.099 1.00 . A A . 3 LEU O 1 1 9 2524 1 1 4 ARG C C 6.178 0.772 -6.518 1.00 . A A . 4 ARG C 1 1 9 2525 1 1 4 ARG CA C 5.728 1.022 -7.956 1.00 . A A . 4 ARG CA 1 1 9 2526 1 1 4 ARG CB C 5.930 2.500 -8.341 1.00 . A A . 4 ARG CB 1 1 9 2527 1 1 4 ARG CD C 3.793 3.514 -7.405 1.00 . A A . 4 ARG CD 1 1 9 2528 1 1 4 ARG CG C 5.316 3.524 -7.382 1.00 . A A . 4 ARG CG 1 1 9 2529 1 1 4 ARG CZ C 1.956 3.739 -9.037 1.00 . A A . 4 ARG CZ 1 1 9 2530 1 1 4 ARG H H 3.638 1.298 -8.215 1.00 . A A . 4 ARG H 1 1 9 2531 1 1 4 ARG HA H 6.332 0.410 -8.611 1.00 . A A . 4 ARG HA 1 1 9 2532 1 1 4 ARG HB2 H 6.990 2.694 -8.399 1.00 . A A . 4 ARG HB2 1 1 9 2533 1 1 4 ARG HB3 H 5.499 2.657 -9.319 1.00 . A A . 4 ARG HB3 1 1 9 2534 1 1 4 ARG HD2 H 3.446 2.568 -7.017 1.00 . A A . 4 ARG HD2 1 1 9 2535 1 1 4 ARG HD3 H 3.433 4.313 -6.774 1.00 . A A . 4 ARG HD3 1 1 9 2536 1 1 4 ARG HE H 3.904 3.768 -9.490 1.00 . A A . 4 ARG HE 1 1 9 2537 1 1 4 ARG HG2 H 5.645 3.298 -6.381 1.00 . A A . 4 ARG HG2 1 1 9 2538 1 1 4 ARG HG3 H 5.663 4.510 -7.660 1.00 . A A . 4 ARG HG3 1 1 9 2539 1 1 4 ARG HH11 H 1.354 3.692 -7.097 1.00 . A A . 4 ARG HH11 1 1 9 2540 1 1 4 ARG HH12 H 0.075 3.748 -8.271 1.00 . A A . 4 ARG HH12 1 1 9 2541 1 1 4 ARG HH21 H 2.232 3.872 -11.045 1.00 . A A . 4 ARG HH21 1 1 9 2542 1 1 4 ARG HH22 H 0.568 3.849 -10.518 1.00 . A A . 4 ARG HH22 1 1 9 2543 1 1 4 ARG N N 4.336 0.615 -8.136 1.00 . A A . 4 ARG N 1 1 9 2544 1 1 4 ARG NE N 3.257 3.696 -8.753 1.00 . A A . 4 ARG NE 1 1 9 2545 1 1 4 ARG NH1 N 1.060 3.727 -8.057 1.00 . A A . 4 ARG NH1 1 1 9 2546 1 1 4 ARG NH2 N 1.554 3.830 -10.297 1.00 . A A . 4 ARG NH2 1 1 9 2547 1 1 4 ARG O O 7.369 0.653 -6.231 1.00 . A A . 4 ARG O 1 1 9 2548 1 1 5 SER C C 5.660 -1.048 -3.943 1.00 . A A . 5 SER C 1 1 9 2549 1 1 5 SER CA C 5.450 0.438 -4.221 1.00 . A A . 5 SER CA 1 1 9 2550 1 1 5 SER CB C 4.287 0.973 -3.394 1.00 . A A . 5 SER CB 1 1 9 2551 1 1 5 SER H H 4.279 0.785 -5.932 1.00 . A A . 5 SER H 1 1 9 2552 1 1 5 SER HA H 6.347 0.970 -3.943 1.00 . A A . 5 SER HA 1 1 9 2553 1 1 5 SER HB2 H 3.403 0.385 -3.594 1.00 . A A . 5 SER HB2 1 1 9 2554 1 1 5 SER HB3 H 4.532 0.913 -2.344 1.00 . A A . 5 SER HB3 1 1 9 2555 1 1 5 SER HG H 4.848 2.836 -3.677 1.00 . A A . 5 SER HG 1 1 9 2556 1 1 5 SER N N 5.205 0.686 -5.630 1.00 . A A . 5 SER N 1 1 9 2557 1 1 5 SER O O 6.140 -1.406 -2.878 1.00 . A A . 5 SER O 1 1 9 2558 1 1 5 SER OG O 4.024 2.325 -3.727 1.00 . A A . 5 SER OG 1 1 9 2559 1 1 6 LEU C C 6.321 -3.920 -3.866 1.00 . A A . 6 LEU C 1 1 9 2560 1 1 6 LEU CA C 5.201 -3.351 -4.748 1.00 . A A . 6 LEU CA 1 1 9 2561 1 1 6 LEU CB C 5.226 -4.019 -6.135 1.00 . A A . 6 LEU CB 1 1 9 2562 1 1 6 LEU CD1 C 5.129 -6.452 -5.463 1.00 . A A . 6 LEU CD1 1 1 9 2563 1 1 6 LEU CD2 C 3.021 -5.176 -5.847 1.00 . A A . 6 LEU CD2 1 1 9 2564 1 1 6 LEU CG C 4.469 -5.349 -6.270 1.00 . A A . 6 LEU CG 1 1 9 2565 1 1 6 LEU H H 5.065 -1.512 -5.792 1.00 . A A . 6 LEU H 1 1 9 2566 1 1 6 LEU HA H 4.254 -3.568 -4.280 1.00 . A A . 6 LEU HA 1 1 9 2567 1 1 6 LEU HB2 H 4.806 -3.326 -6.847 1.00 . A A . 6 LEU HB2 1 1 9 2568 1 1 6 LEU HB3 H 6.257 -4.196 -6.403 1.00 . A A . 6 LEU HB3 1 1 9 2569 1 1 6 LEU HD11 H 5.108 -6.194 -4.416 1.00 . A A . 6 LEU HD11 1 1 9 2570 1 1 6 LEU HD12 H 6.154 -6.567 -5.785 1.00 . A A . 6 LEU HD12 1 1 9 2571 1 1 6 LEU HD13 H 4.596 -7.378 -5.617 1.00 . A A . 6 LEU HD13 1 1 9 2572 1 1 6 LEU HD21 H 2.503 -6.119 -5.939 1.00 . A A . 6 LEU HD21 1 1 9 2573 1 1 6 LEU HD22 H 2.547 -4.443 -6.480 1.00 . A A . 6 LEU HD22 1 1 9 2574 1 1 6 LEU HD23 H 2.984 -4.845 -4.821 1.00 . A A . 6 LEU HD23 1 1 9 2575 1 1 6 LEU HG H 4.475 -5.651 -7.309 1.00 . A A . 6 LEU HG 1 1 9 2576 1 1 6 LEU N N 5.290 -1.890 -4.916 1.00 . A A . 6 LEU N 1 1 9 2577 1 1 6 LEU O O 6.041 -4.578 -2.863 1.00 . A A . 6 LEU O 1 1 9 2578 1 1 7 GLY C C 8.635 -3.766 -1.995 1.00 . A A . 7 GLY C 1 1 9 2579 1 1 7 GLY CA C 8.695 -4.171 -3.459 1.00 . A A . 7 GLY CA 1 1 9 2580 1 1 7 GLY H H 7.734 -3.129 -5.039 1.00 . A A . 7 GLY H 1 1 9 2581 1 1 7 GLY HA2 H 8.702 -5.248 -3.521 1.00 . A A . 7 GLY HA2 1 1 9 2582 1 1 7 GLY HA3 H 9.611 -3.793 -3.888 1.00 . A A . 7 GLY HA3 1 1 9 2583 1 1 7 GLY N N 7.571 -3.663 -4.232 1.00 . A A . 7 GLY N 1 1 9 2584 1 1 7 GLY O O 8.740 -4.609 -1.102 1.00 . A A . 7 GLY O 1 1 9 2585 1 1 8 ARG C C 7.068 -2.457 0.273 1.00 . A A . 8 ARG C 1 1 9 2586 1 1 8 ARG CA C 8.346 -1.949 -0.398 1.00 . A A . 8 ARG CA 1 1 9 2587 1 1 8 ARG CB C 8.336 -0.415 -0.435 1.00 . A A . 8 ARG CB 1 1 9 2588 1 1 8 ARG CD C 9.862 0.620 1.282 1.00 . A A . 8 ARG CD 1 1 9 2589 1 1 8 ARG CG C 8.428 0.239 0.935 1.00 . A A . 8 ARG CG 1 1 9 2590 1 1 8 ARG CZ C 12.000 -0.536 1.752 1.00 . A A . 8 ARG CZ 1 1 9 2591 1 1 8 ARG H H 8.375 -1.856 -2.516 1.00 . A A . 8 ARG H 1 1 9 2592 1 1 8 ARG HA H 9.203 -2.287 0.165 1.00 . A A . 8 ARG HA 1 1 9 2593 1 1 8 ARG HB2 H 9.176 -0.078 -1.025 1.00 . A A . 8 ARG HB2 1 1 9 2594 1 1 8 ARG HB3 H 7.422 -0.085 -0.907 1.00 . A A . 8 ARG HB3 1 1 9 2595 1 1 8 ARG HD2 H 10.188 1.390 0.598 1.00 . A A . 8 ARG HD2 1 1 9 2596 1 1 8 ARG HD3 H 9.879 1.009 2.290 1.00 . A A . 8 ARG HD3 1 1 9 2597 1 1 8 ARG HE H 10.494 -1.293 0.673 1.00 . A A . 8 ARG HE 1 1 9 2598 1 1 8 ARG HG2 H 7.819 1.131 0.939 1.00 . A A . 8 ARG HG2 1 1 9 2599 1 1 8 ARG HG3 H 8.058 -0.453 1.680 1.00 . A A . 8 ARG HG3 1 1 9 2600 1 1 8 ARG HH11 H 11.831 1.291 2.619 1.00 . A A . 8 ARG HH11 1 1 9 2601 1 1 8 ARG HH12 H 13.350 0.478 2.887 1.00 . A A . 8 ARG HH12 1 1 9 2602 1 1 8 ARG HH21 H 12.477 -2.373 1.033 1.00 . A A . 8 ARG HH21 1 1 9 2603 1 1 8 ARG HH22 H 13.700 -1.613 2.003 1.00 . A A . 8 ARG HH22 1 1 9 2604 1 1 8 ARG N N 8.449 -2.477 -1.754 1.00 . A A . 8 ARG N 1 1 9 2605 1 1 8 ARG NE N 10.787 -0.514 1.193 1.00 . A A . 8 ARG NE 1 1 9 2606 1 1 8 ARG NH1 N 12.423 0.490 2.479 1.00 . A A . 8 ARG NH1 1 1 9 2607 1 1 8 ARG NH2 N 12.787 -1.590 1.584 1.00 . A A . 8 ARG NH2 1 1 9 2608 1 1 8 ARG O O 7.041 -2.727 1.474 1.00 . A A . 8 ARG O 1 1 9 2609 1 1 9 LYS C C 4.734 -4.426 0.512 1.00 . A A . 9 LYS C 1 1 9 2610 1 1 9 LYS CA C 4.706 -3.011 -0.067 1.00 . A A . 9 LYS CA 1 1 9 2611 1 1 9 LYS CB C 3.714 -2.927 -1.234 1.00 . A A . 9 LYS CB 1 1 9 2612 1 1 9 LYS CD C 1.363 -3.125 -2.067 1.00 . A A . 9 LYS CD 1 1 9 2613 1 1 9 LYS CE C -0.020 -3.695 -1.817 1.00 . A A . 9 LYS CE 1 1 9 2614 1 1 9 LYS CG C 2.301 -3.378 -0.899 1.00 . A A . 9 LYS CG 1 1 9 2615 1 1 9 LYS H H 6.147 -2.404 -1.490 1.00 . A A . 9 LYS H 1 1 9 2616 1 1 9 LYS HA H 4.394 -2.324 0.705 1.00 . A A . 9 LYS HA 1 1 9 2617 1 1 9 LYS HB2 H 3.668 -1.906 -1.574 1.00 . A A . 9 LYS HB2 1 1 9 2618 1 1 9 LYS HB3 H 4.081 -3.545 -2.042 1.00 . A A . 9 LYS HB3 1 1 9 2619 1 1 9 LYS HD2 H 1.277 -2.061 -2.222 1.00 . A A . 9 LYS HD2 1 1 9 2620 1 1 9 LYS HD3 H 1.777 -3.585 -2.952 1.00 . A A . 9 LYS HD3 1 1 9 2621 1 1 9 LYS HE2 H 0.056 -4.770 -1.735 1.00 . A A . 9 LYS HE2 1 1 9 2622 1 1 9 LYS HE3 H -0.404 -3.289 -0.893 1.00 . A A . 9 LYS HE3 1 1 9 2623 1 1 9 LYS HG2 H 2.311 -4.435 -0.681 1.00 . A A . 9 LYS HG2 1 1 9 2624 1 1 9 LYS HG3 H 1.949 -2.830 -0.038 1.00 . A A . 9 LYS HG3 1 1 9 2625 1 1 9 LYS HZ1 H -1.215 -2.349 -2.875 1.00 . A A . 9 LYS HZ1 1 1 9 2626 1 1 9 LYS HZ2 H -1.823 -3.935 -2.851 1.00 . A A . 9 LYS HZ2 1 1 9 2627 1 1 9 LYS HZ3 H -0.505 -3.543 -3.844 1.00 . A A . 9 LYS HZ3 1 1 9 2628 1 1 9 LYS N N 6.026 -2.596 -0.531 1.00 . A A . 9 LYS N 1 1 9 2629 1 1 9 LYS NZ N -0.956 -3.359 -2.921 1.00 . A A . 9 LYS NZ 1 1 9 2630 1 1 9 LYS O O 4.050 -4.714 1.494 1.00 . A A . 9 LYS O 1 1 9 2631 1 1 10 ILE C C 6.382 -6.748 1.704 1.00 . A A . 10 ILE C 1 1 9 2632 1 1 10 ILE CA C 5.640 -6.683 0.367 1.00 . A A . 10 ILE CA 1 1 9 2633 1 1 10 ILE CB C 6.383 -7.571 -0.665 1.00 . A A . 10 ILE CB 1 1 9 2634 1 1 10 ILE CD1 C 4.252 -8.060 -1.994 1.00 . A A . 10 ILE CD1 1 1 9 2635 1 1 10 ILE CG1 C 5.675 -7.542 -2.027 1.00 . A A . 10 ILE CG1 1 1 9 2636 1 1 10 ILE CG2 C 6.501 -9.006 -0.158 1.00 . A A . 10 ILE CG2 1 1 9 2637 1 1 10 ILE H H 6.027 -5.018 -0.894 1.00 . A A . 10 ILE H 1 1 9 2638 1 1 10 ILE HA H 4.642 -7.076 0.497 1.00 . A A . 10 ILE HA 1 1 9 2639 1 1 10 ILE HB H 7.382 -7.179 -0.783 1.00 . A A . 10 ILE HB 1 1 9 2640 1 1 10 ILE HD11 H 3.831 -8.028 -2.989 1.00 . A A . 10 ILE HD11 1 1 9 2641 1 1 10 ILE HD12 H 3.660 -7.441 -1.333 1.00 . A A . 10 ILE HD12 1 1 9 2642 1 1 10 ILE HD13 H 4.248 -9.078 -1.635 1.00 . A A . 10 ILE HD13 1 1 9 2643 1 1 10 ILE HG12 H 5.646 -6.524 -2.391 1.00 . A A . 10 ILE HG12 1 1 9 2644 1 1 10 ILE HG13 H 6.231 -8.150 -2.726 1.00 . A A . 10 ILE HG13 1 1 9 2645 1 1 10 ILE HG21 H 5.516 -9.413 0.011 1.00 . A A . 10 ILE HG21 1 1 9 2646 1 1 10 ILE HG22 H 7.057 -9.015 0.767 1.00 . A A . 10 ILE HG22 1 1 9 2647 1 1 10 ILE HG23 H 7.016 -9.607 -0.892 1.00 . A A . 10 ILE HG23 1 1 9 2648 1 1 10 ILE N N 5.523 -5.302 -0.098 1.00 . A A . 10 ILE N 1 1 9 2649 1 1 10 ILE O O 6.057 -7.569 2.565 1.00 . A A . 10 ILE O 1 1 9 2650 1 1 11 LEU C C 7.548 -5.867 4.364 1.00 . A A . 11 LEU C 1 1 9 2651 1 1 11 LEU CA C 8.268 -5.886 3.015 1.00 . A A . 11 LEU CA 1 1 9 2652 1 1 11 LEU CB C 9.249 -4.712 2.944 1.00 . A A . 11 LEU CB 1 1 9 2653 1 1 11 LEU CD1 C 11.235 -5.886 3.931 1.00 . A A . 11 LEU CD1 1 1 9 2654 1 1 11 LEU CD2 C 11.094 -3.392 4.008 1.00 . A A . 11 LEU CD2 1 1 9 2655 1 1 11 LEU CG C 10.305 -4.689 4.051 1.00 . A A . 11 LEU CG 1 1 9 2656 1 1 11 LEU H H 7.449 -5.135 1.210 1.00 . A A . 11 LEU H 1 1 9 2657 1 1 11 LEU HA H 8.830 -6.804 2.944 1.00 . A A . 11 LEU HA 1 1 9 2658 1 1 11 LEU HB2 H 9.755 -4.751 1.990 1.00 . A A . 11 LEU HB2 1 1 9 2659 1 1 11 LEU HB3 H 8.684 -3.793 2.997 1.00 . A A . 11 LEU HB3 1 1 9 2660 1 1 11 LEU HD11 H 10.658 -6.797 3.973 1.00 . A A . 11 LEU HD11 1 1 9 2661 1 1 11 LEU HD12 H 11.944 -5.874 4.744 1.00 . A A . 11 LEU HD12 1 1 9 2662 1 1 11 LEU HD13 H 11.764 -5.838 2.991 1.00 . A A . 11 LEU HD13 1 1 9 2663 1 1 11 LEU HD21 H 11.831 -3.393 4.797 1.00 . A A . 11 LEU HD21 1 1 9 2664 1 1 11 LEU HD22 H 10.422 -2.558 4.142 1.00 . A A . 11 LEU HD22 1 1 9 2665 1 1 11 LEU HD23 H 11.591 -3.307 3.053 1.00 . A A . 11 LEU HD23 1 1 9 2666 1 1 11 LEU HG H 9.811 -4.748 5.010 1.00 . A A . 11 LEU HG 1 1 9 2667 1 1 11 LEU N N 7.348 -5.848 1.876 1.00 . A A . 11 LEU N 1 1 9 2668 1 1 11 LEU O O 7.984 -6.528 5.308 1.00 . A A . 11 LEU O 1 1 9 2669 1 1 12 ARG C C 5.129 -6.294 6.195 1.00 . A A . 12 ARG C 1 1 9 2670 1 1 12 ARG CA C 5.743 -4.974 5.729 1.00 . A A . 12 ARG CA 1 1 9 2671 1 1 12 ARG CB C 4.672 -3.882 5.636 1.00 . A A . 12 ARG CB 1 1 9 2672 1 1 12 ARG CD C 2.726 -2.891 4.395 1.00 . A A . 12 ARG CD 1 1 9 2673 1 1 12 ARG CG C 3.661 -4.086 4.519 1.00 . A A . 12 ARG CG 1 1 9 2674 1 1 12 ARG CZ C 2.909 -0.462 3.955 1.00 . A A . 12 ARG CZ 1 1 9 2675 1 1 12 ARG H H 6.096 -4.689 3.653 1.00 . A A . 12 ARG H 1 1 9 2676 1 1 12 ARG HA H 6.477 -4.670 6.462 1.00 . A A . 12 ARG HA 1 1 9 2677 1 1 12 ARG HB2 H 4.135 -3.846 6.571 1.00 . A A . 12 ARG HB2 1 1 9 2678 1 1 12 ARG HB3 H 5.161 -2.931 5.479 1.00 . A A . 12 ARG HB3 1 1 9 2679 1 1 12 ARG HD2 H 2.085 -3.038 3.539 1.00 . A A . 12 ARG HD2 1 1 9 2680 1 1 12 ARG HD3 H 2.125 -2.824 5.290 1.00 . A A . 12 ARG HD3 1 1 9 2681 1 1 12 ARG HE H 4.451 -1.682 4.328 1.00 . A A . 12 ARG HE 1 1 9 2682 1 1 12 ARG HG2 H 4.191 -4.214 3.587 1.00 . A A . 12 ARG HG2 1 1 9 2683 1 1 12 ARG HG3 H 3.077 -4.971 4.729 1.00 . A A . 12 ARG HG3 1 1 9 2684 1 1 12 ARG HH11 H 1.016 -1.171 3.814 1.00 . A A . 12 ARG HH11 1 1 9 2685 1 1 12 ARG HH12 H 1.197 0.533 3.552 1.00 . A A . 12 ARG HH12 1 1 9 2686 1 1 12 ARG HH21 H 4.659 0.557 4.027 1.00 . A A . 12 ARG HH21 1 1 9 2687 1 1 12 ARG HH22 H 3.251 1.513 3.678 1.00 . A A . 12 ARG HH22 1 1 9 2688 1 1 12 ARG N N 6.446 -5.130 4.455 1.00 . A A . 12 ARG N 1 1 9 2689 1 1 12 ARG NE N 3.467 -1.641 4.222 1.00 . A A . 12 ARG NE 1 1 9 2690 1 1 12 ARG NH1 N 1.603 -0.360 3.760 1.00 . A A . 12 ARG NH1 1 1 9 2691 1 1 12 ARG NH2 N 3.667 0.623 3.879 1.00 . A A . 12 ARG NH2 1 1 9 2692 1 1 12 ARG O O 4.821 -6.455 7.378 1.00 . A A . 12 ARG O 1 1 9 2693 1 1 13 ALA C C 3.142 -8.558 6.303 1.00 . A A . 13 ALA C 1 1 9 2694 1 1 13 ALA CA C 4.476 -8.574 5.563 1.00 . A A . 13 ALA CA 1 1 9 2695 1 1 13 ALA CB C 5.518 -9.338 6.366 1.00 . A A . 13 ALA CB 1 1 9 2696 1 1 13 ALA H H 5.175 -7.003 4.325 1.00 . A A . 13 ALA H 1 1 9 2697 1 1 13 ALA HA H 4.340 -9.092 4.625 1.00 . A A . 13 ALA HA 1 1 9 2698 1 1 13 ALA HB1 H 6.440 -9.388 5.804 1.00 . A A . 13 ALA HB1 1 1 9 2699 1 1 13 ALA HB2 H 5.160 -10.339 6.564 1.00 . A A . 13 ALA HB2 1 1 9 2700 1 1 13 ALA HB3 H 5.693 -8.828 7.300 1.00 . A A . 13 ALA HB3 1 1 9 2701 1 1 13 ALA N N 4.956 -7.227 5.257 1.00 . A A . 13 ALA N 1 1 9 2702 1 1 13 ALA O O 3.078 -8.824 7.508 1.00 . A A . 13 ALA O 1 1 9 2703 1 1 14 TRP C C 0.342 -9.637 6.542 1.00 . A A . 14 TRP C 1 1 9 2704 1 1 14 TRP CA C 0.736 -8.222 6.134 1.00 . A A . 14 TRP CA 1 1 9 2705 1 1 14 TRP CB C -0.271 -7.674 5.114 1.00 . A A . 14 TRP CB 1 1 9 2706 1 1 14 TRP CD1 C 0.793 -5.875 3.632 1.00 . A A . 14 TRP CD1 1 1 9 2707 1 1 14 TRP CD2 C 0.683 -7.900 2.686 1.00 . A A . 14 TRP CD2 1 1 9 2708 1 1 14 TRP CE2 C 1.292 -7.017 1.779 1.00 . A A . 14 TRP CE2 1 1 9 2709 1 1 14 TRP CE3 C 0.503 -9.234 2.312 1.00 . A A . 14 TRP CE3 1 1 9 2710 1 1 14 TRP CG C 0.375 -7.151 3.867 1.00 . A A . 14 TRP CG 1 1 9 2711 1 1 14 TRP CH2 C 1.534 -8.740 0.180 1.00 . A A . 14 TRP CH2 1 1 9 2712 1 1 14 TRP CZ2 C 1.723 -7.427 0.521 1.00 . A A . 14 TRP CZ2 1 1 9 2713 1 1 14 TRP CZ3 C 0.929 -9.639 1.065 1.00 . A A . 14 TRP CZ3 1 1 9 2714 1 1 14 TRP H H 2.213 -7.973 4.639 1.00 . A A . 14 TRP H 1 1 9 2715 1 1 14 TRP HA H 0.738 -7.588 7.009 1.00 . A A . 14 TRP HA 1 1 9 2716 1 1 14 TRP HB2 H -0.954 -8.462 4.833 1.00 . A A . 14 TRP HB2 1 1 9 2717 1 1 14 TRP HB3 H -0.827 -6.867 5.567 1.00 . A A . 14 TRP HB3 1 1 9 2718 1 1 14 TRP HD1 H 0.698 -5.064 4.339 1.00 . A A . 14 TRP HD1 1 1 9 2719 1 1 14 TRP HE1 H 1.735 -4.978 1.981 1.00 . A A . 14 TRP HE1 1 1 9 2720 1 1 14 TRP HE3 H 0.040 -9.942 2.981 1.00 . A A . 14 TRP HE3 1 1 9 2721 1 1 14 TRP HH2 H 1.854 -9.101 -0.790 1.00 . A A . 14 TRP HH2 1 1 9 2722 1 1 14 TRP HZ2 H 2.193 -6.747 -0.172 1.00 . A A . 14 TRP HZ2 1 1 9 2723 1 1 14 TRP HZ3 H 0.798 -10.666 0.759 1.00 . A A . 14 TRP HZ3 1 1 9 2724 1 1 14 TRP N N 2.084 -8.229 5.576 1.00 . A A . 14 TRP N 1 1 9 2725 1 1 14 TRP NE1 N 1.353 -5.788 2.381 1.00 . A A . 14 TRP NE1 1 1 9 2726 1 1 14 TRP O O 0.083 -9.908 7.714 1.00 . A A . 14 TRP O 1 1 9 2727 1 1 15 LYS C C 1.272 -12.785 5.521 1.00 . A A . 15 LYS C 1 1 9 2728 1 1 15 LYS CA C 0.041 -11.943 5.847 1.00 . A A . 15 LYS CA 1 1 9 2729 1 1 15 LYS CB C -1.188 -12.439 5.078 1.00 . A A . 15 LYS CB 1 1 9 2730 1 1 15 LYS CD C -0.956 -13.689 2.904 1.00 . A A . 15 LYS CD 1 1 9 2731 1 1 15 LYS CE C -2.101 -14.604 3.306 1.00 . A A . 15 LYS CE 1 1 9 2732 1 1 15 LYS CG C -1.077 -12.324 3.563 1.00 . A A . 15 LYS CG 1 1 9 2733 1 1 15 LYS H H 0.415 -10.245 4.641 1.00 . A A . 15 LYS H 1 1 9 2734 1 1 15 LYS HA H -0.155 -12.030 6.905 1.00 . A A . 15 LYS HA 1 1 9 2735 1 1 15 LYS HB2 H -1.352 -13.478 5.323 1.00 . A A . 15 LYS HB2 1 1 9 2736 1 1 15 LYS HB3 H -2.047 -11.867 5.398 1.00 . A A . 15 LYS HB3 1 1 9 2737 1 1 15 LYS HD2 H -0.969 -13.564 1.830 1.00 . A A . 15 LYS HD2 1 1 9 2738 1 1 15 LYS HD3 H -0.023 -14.142 3.205 1.00 . A A . 15 LYS HD3 1 1 9 2739 1 1 15 LYS HE2 H -2.077 -14.736 4.377 1.00 . A A . 15 LYS HE2 1 1 9 2740 1 1 15 LYS HE3 H -3.035 -14.137 3.024 1.00 . A A . 15 LYS HE3 1 1 9 2741 1 1 15 LYS HG2 H -1.959 -11.831 3.183 1.00 . A A . 15 LYS HG2 1 1 9 2742 1 1 15 LYS HG3 H -0.203 -11.738 3.320 1.00 . A A . 15 LYS HG3 1 1 9 2743 1 1 15 LYS HZ1 H -1.022 -16.273 2.666 1.00 . A A . 15 LYS HZ1 1 1 9 2744 1 1 15 LYS HZ2 H -2.335 -15.880 1.666 1.00 . A A . 15 LYS HZ2 1 1 9 2745 1 1 15 LYS HZ3 H -2.602 -16.627 3.162 1.00 . A A . 15 LYS HZ3 1 1 9 2746 1 1 15 LYS N N 0.295 -10.537 5.567 1.00 . A A . 15 LYS N 1 1 9 2747 1 1 15 LYS NZ N -2.008 -15.935 2.654 1.00 . A A . 15 LYS NZ 1 1 9 2748 1 1 15 LYS O O 1.323 -13.972 5.841 1.00 . A A . 15 LYS O 1 1 9 2749 1 1 16 LYS C C 3.402 -14.137 3.939 1.00 . A A . 16 LYS C 1 1 9 2750 1 1 16 LYS CA C 3.557 -12.768 4.609 1.00 . A A . 16 LYS CA 1 1 9 2751 1 1 16 LYS CB C 4.368 -12.900 5.910 1.00 . A A . 16 LYS CB 1 1 9 2752 1 1 16 LYS CD C 6.660 -12.391 4.996 1.00 . A A . 16 LYS CD 1 1 9 2753 1 1 16 LYS CE C 8.015 -12.971 4.618 1.00 . A A . 16 LYS CE 1 1 9 2754 1 1 16 LYS CG C 5.791 -13.408 5.714 1.00 . A A . 16 LYS CG 1 1 9 2755 1 1 16 LYS H H 2.106 -11.226 4.591 1.00 . A A . 16 LYS H 1 1 9 2756 1 1 16 LYS HA H 4.092 -12.116 3.935 1.00 . A A . 16 LYS HA 1 1 9 2757 1 1 16 LYS HB2 H 4.419 -11.932 6.386 1.00 . A A . 16 LYS HB2 1 1 9 2758 1 1 16 LYS HB3 H 3.853 -13.585 6.569 1.00 . A A . 16 LYS HB3 1 1 9 2759 1 1 16 LYS HD2 H 6.153 -12.074 4.098 1.00 . A A . 16 LYS HD2 1 1 9 2760 1 1 16 LYS HD3 H 6.811 -11.540 5.645 1.00 . A A . 16 LYS HD3 1 1 9 2761 1 1 16 LYS HE2 H 7.869 -13.715 3.849 1.00 . A A . 16 LYS HE2 1 1 9 2762 1 1 16 LYS HE3 H 8.636 -12.175 4.230 1.00 . A A . 16 LYS HE3 1 1 9 2763 1 1 16 LYS HG2 H 6.225 -13.616 6.680 1.00 . A A . 16 LYS HG2 1 1 9 2764 1 1 16 LYS HG3 H 5.759 -14.316 5.130 1.00 . A A . 16 LYS HG3 1 1 9 2765 1 1 16 LYS HZ1 H 9.696 -13.823 5.528 1.00 . A A . 16 LYS HZ1 1 1 9 2766 1 1 16 LYS HZ2 H 8.225 -14.492 6.037 1.00 . A A . 16 LYS HZ2 1 1 9 2767 1 1 16 LYS HZ3 H 8.699 -12.962 6.599 1.00 . A A . 16 LYS HZ3 1 1 9 2768 1 1 16 LYS N N 2.258 -12.147 4.885 1.00 . A A . 16 LYS N 1 1 9 2769 1 1 16 LYS NZ N 8.706 -13.604 5.774 1.00 . A A . 16 LYS NZ 1 1 9 2770 1 1 16 LYS O O 3.765 -15.160 4.521 1.00 . A A . 16 LYS O 1 1 9 2771 1 1 17 TYR C C 1.728 -16.356 2.579 1.00 . A A . 17 TYR C 1 1 9 2772 1 1 17 TYR CA C 2.684 -15.360 1.919 1.00 . A A . 17 TYR CA 1 1 9 2773 1 1 17 TYR CB C 4.037 -16.034 1.657 1.00 . A A . 17 TYR CB 1 1 9 2774 1 1 17 TYR CD1 C 5.050 -14.777 -0.291 1.00 . A A . 17 TYR CD1 1 1 9 2775 1 1 17 TYR CD2 C 6.097 -14.590 1.843 1.00 . A A . 17 TYR CD2 1 1 9 2776 1 1 17 TYR CE1 C 6.011 -13.945 -0.836 1.00 . A A . 17 TYR CE1 1 1 9 2777 1 1 17 TYR CE2 C 7.055 -13.758 1.306 1.00 . A A . 17 TYR CE2 1 1 9 2778 1 1 17 TYR CG C 5.078 -15.114 1.057 1.00 . A A . 17 TYR CG 1 1 9 2779 1 1 17 TYR CZ C 7.010 -13.439 -0.032 1.00 . A A . 17 TYR CZ 1 1 9 2780 1 1 17 TYR H H 2.524 -13.290 2.352 1.00 . A A . 17 TYR H 1 1 9 2781 1 1 17 TYR HA H 2.260 -15.063 0.971 1.00 . A A . 17 TYR HA 1 1 9 2782 1 1 17 TYR HB2 H 4.429 -16.412 2.590 1.00 . A A . 17 TYR HB2 1 1 9 2783 1 1 17 TYR HB3 H 3.892 -16.860 0.975 1.00 . A A . 17 TYR HB3 1 1 9 2784 1 1 17 TYR HD1 H 4.264 -15.173 -0.918 1.00 . A A . 17 TYR HD1 1 1 9 2785 1 1 17 TYR HD2 H 6.132 -14.840 2.894 1.00 . A A . 17 TYR HD2 1 1 9 2786 1 1 17 TYR HE1 H 5.975 -13.692 -1.886 1.00 . A A . 17 TYR HE1 1 1 9 2787 1 1 17 TYR HE2 H 7.840 -13.363 1.933 1.00 . A A . 17 TYR HE2 1 1 9 2788 1 1 17 TYR HH H 8.840 -12.911 -0.265 1.00 . A A . 17 TYR HH 1 1 9 2789 1 1 17 TYR N N 2.845 -14.140 2.725 1.00 . A A . 17 TYR N 1 1 9 2790 1 1 17 TYR O O 0.576 -16.492 2.165 1.00 . A A . 17 TYR O 1 1 9 2791 1 1 17 TYR OH O 7.972 -12.617 -0.566 1.00 . A A . 17 TYR OH 1 1 9 2792 1 1 18 GLY C C 1.684 -18.025 5.778 1.00 . A A . 18 GLY C 1 1 9 2793 1 1 18 GLY CA C 1.423 -18.037 4.288 1.00 . A A . 18 GLY CA 1 1 9 2794 1 1 18 GLY H H 3.113 -16.832 3.926 1.00 . A A . 18 GLY H 1 1 9 2795 1 1 18 GLY HA2 H 0.375 -17.843 4.112 1.00 . A A . 18 GLY HA2 1 1 9 2796 1 1 18 GLY HA3 H 1.675 -19.010 3.895 1.00 . A A . 18 GLY HA3 1 1 9 2797 1 1 18 GLY N N 2.208 -17.034 3.607 1.00 . A A . 18 GLY N 1 1 9 2798 1 1 18 GLY O O 0.924 -17.367 6.515 1.00 . A A . 18 GLY O 1 1 9 2799 1 1 18 GLY OXT O 2.679 -18.637 6.216 1.00 . A A . 18 GLY OXT 1 1 10 2800 1 1 1 GLY C C 1.545 0.156 -2.099 1.00 . A A . 1 GLY C 1 1 10 2801 1 1 1 GLY CA C 0.750 -0.005 -0.823 1.00 . A A . 1 GLY CA 1 1 10 2802 1 1 1 GLY H1 H -0.832 1.317 -1.167 1.00 . A A . 1 GLY H1 1 1 10 2803 1 1 1 GLY H2 H 0.578 2.060 -0.602 1.00 . A A . 1 GLY H2 1 1 10 2804 1 1 1 GLY H3 H -0.396 1.176 0.468 1.00 . A A . 1 GLY H3 1 1 10 2805 1 1 1 GLY HA2 H 1.430 -0.210 -0.009 1.00 . A A . 1 GLY HA2 1 1 10 2806 1 1 1 GLY HA3 H 0.071 -0.838 -0.932 1.00 . A A . 1 GLY HA3 1 1 10 2807 1 1 1 GLY N N -0.031 1.218 -0.507 1.00 . A A . 1 GLY N 1 1 10 2808 1 1 1 GLY O O 2.707 -0.233 -2.163 1.00 . A A . 1 GLY O 1 1 10 2809 1 1 2 GLY C C 1.915 -0.017 -5.283 1.00 . A A . 2 GLY C 1 1 10 2810 1 1 2 GLY CA C 1.589 1.120 -4.330 1.00 . A A . 2 GLY CA 1 1 10 2811 1 1 2 GLY H H -0.073 0.820 -3.053 1.00 . A A . 2 GLY H 1 1 10 2812 1 1 2 GLY HA2 H 0.968 1.834 -4.848 1.00 . A A . 2 GLY HA2 1 1 10 2813 1 1 2 GLY HA3 H 2.510 1.608 -4.046 1.00 . A A . 2 GLY HA3 1 1 10 2814 1 1 2 GLY N N 0.897 0.704 -3.120 1.00 . A A . 2 GLY N 1 1 10 2815 1 1 2 GLY O O 2.131 -1.157 -4.865 1.00 . A A . 2 GLY O 1 1 10 2816 1 1 3 LEU C C 3.830 -0.915 -7.547 1.00 . A A . 3 LEU C 1 1 10 2817 1 1 3 LEU CA C 2.326 -0.669 -7.598 1.00 . A A . 3 LEU CA 1 1 10 2818 1 1 3 LEU CB C 1.911 -0.201 -9.002 1.00 . A A . 3 LEU CB 1 1 10 2819 1 1 3 LEU CD1 C -0.358 0.812 -8.552 1.00 . A A . 3 LEU CD1 1 1 10 2820 1 1 3 LEU CD2 C 0.167 -0.128 -10.805 1.00 . A A . 3 LEU CD2 1 1 10 2821 1 1 3 LEU CG C 0.407 -0.263 -9.310 1.00 . A A . 3 LEU CG 1 1 10 2822 1 1 3 LEU H H 1.689 1.208 -6.851 1.00 . A A . 3 LEU H 1 1 10 2823 1 1 3 LEU HA H 1.820 -1.598 -7.378 1.00 . A A . 3 LEU HA 1 1 10 2824 1 1 3 LEU HB2 H 2.238 0.820 -9.126 1.00 . A A . 3 LEU HB2 1 1 10 2825 1 1 3 LEU HB3 H 2.426 -0.814 -9.727 1.00 . A A . 3 LEU HB3 1 1 10 2826 1 1 3 LEU HD11 H -0.185 0.699 -7.491 1.00 . A A . 3 LEU HD11 1 1 10 2827 1 1 3 LEU HD12 H -1.413 0.714 -8.757 1.00 . A A . 3 LEU HD12 1 1 10 2828 1 1 3 LEU HD13 H -0.019 1.787 -8.870 1.00 . A A . 3 LEU HD13 1 1 10 2829 1 1 3 LEU HD21 H -0.894 -0.169 -11.005 1.00 . A A . 3 LEU HD21 1 1 10 2830 1 1 3 LEU HD22 H 0.662 -0.937 -11.322 1.00 . A A . 3 LEU HD22 1 1 10 2831 1 1 3 LEU HD23 H 0.564 0.815 -11.149 1.00 . A A . 3 LEU HD23 1 1 10 2832 1 1 3 LEU HG H 0.024 -1.223 -8.998 1.00 . A A . 3 LEU HG 1 1 10 2833 1 1 3 LEU N N 1.936 0.295 -6.576 1.00 . A A . 3 LEU N 1 1 10 2834 1 1 3 LEU O O 4.274 -2.037 -7.313 1.00 . A A . 3 LEU O 1 1 10 2835 1 1 4 ARG C C 6.518 0.026 -6.229 1.00 . A A . 4 ARG C 1 1 10 2836 1 1 4 ARG CA C 6.072 0.036 -7.683 1.00 . A A . 4 ARG CA 1 1 10 2837 1 1 4 ARG CB C 6.766 1.184 -8.428 1.00 . A A . 4 ARG CB 1 1 10 2838 1 1 4 ARG CD C 5.472 3.338 -8.193 1.00 . A A . 4 ARG CD 1 1 10 2839 1 1 4 ARG CG C 6.674 2.535 -7.728 1.00 . A A . 4 ARG CG 1 1 10 2840 1 1 4 ARG CZ C 5.299 5.003 -10.006 1.00 . A A . 4 ARG CZ 1 1 10 2841 1 1 4 ARG H H 4.200 1.011 -7.950 1.00 . A A . 4 ARG H 1 1 10 2842 1 1 4 ARG HA H 6.354 -0.902 -8.136 1.00 . A A . 4 ARG HA 1 1 10 2843 1 1 4 ARG HB2 H 7.810 0.937 -8.545 1.00 . A A . 4 ARG HB2 1 1 10 2844 1 1 4 ARG HB3 H 6.318 1.280 -9.406 1.00 . A A . 4 ARG HB3 1 1 10 2845 1 1 4 ARG HD2 H 4.590 2.721 -8.117 1.00 . A A . 4 ARG HD2 1 1 10 2846 1 1 4 ARG HD3 H 5.363 4.204 -7.557 1.00 . A A . 4 ARG HD3 1 1 10 2847 1 1 4 ARG HE H 5.990 3.138 -10.227 1.00 . A A . 4 ARG HE 1 1 10 2848 1 1 4 ARG HG2 H 6.589 2.371 -6.664 1.00 . A A . 4 ARG HG2 1 1 10 2849 1 1 4 ARG HG3 H 7.574 3.097 -7.935 1.00 . A A . 4 ARG HG3 1 1 10 2850 1 1 4 ARG HH11 H 4.647 5.660 -8.201 1.00 . A A . 4 ARG HH11 1 1 10 2851 1 1 4 ARG HH12 H 4.553 6.821 -9.497 1.00 . A A . 4 ARG HH12 1 1 10 2852 1 1 4 ARG HH21 H 5.886 4.641 -11.912 1.00 . A A . 4 ARG HH21 1 1 10 2853 1 1 4 ARG HH22 H 5.268 6.238 -11.614 1.00 . A A . 4 ARG HH22 1 1 10 2854 1 1 4 ARG N N 4.613 0.143 -7.751 1.00 . A A . 4 ARG N 1 1 10 2855 1 1 4 ARG NE N 5.618 3.784 -9.577 1.00 . A A . 4 ARG NE 1 1 10 2856 1 1 4 ARG NH1 N 4.793 5.897 -9.170 1.00 . A A . 4 ARG NH1 1 1 10 2857 1 1 4 ARG NH2 N 5.496 5.321 -11.278 1.00 . A A . 4 ARG NH2 1 1 10 2858 1 1 4 ARG O O 7.627 -0.383 -5.899 1.00 . A A . 4 ARG O 1 1 10 2859 1 1 5 SER C C 5.782 -0.871 -3.343 1.00 . A A . 5 SER C 1 1 10 2860 1 1 5 SER CA C 5.845 0.538 -3.943 1.00 . A A . 5 SER CA 1 1 10 2861 1 1 5 SER CB C 4.815 1.458 -3.301 1.00 . A A . 5 SER CB 1 1 10 2862 1 1 5 SER H H 4.786 0.847 -5.727 1.00 . A A . 5 SER H 1 1 10 2863 1 1 5 SER HA H 6.831 0.944 -3.770 1.00 . A A . 5 SER HA 1 1 10 2864 1 1 5 SER HB2 H 3.858 0.958 -3.268 1.00 . A A . 5 SER HB2 1 1 10 2865 1 1 5 SER HB3 H 5.129 1.706 -2.298 1.00 . A A . 5 SER HB3 1 1 10 2866 1 1 5 SER HG H 4.734 3.418 -3.452 1.00 . A A . 5 SER HG 1 1 10 2867 1 1 5 SER N N 5.630 0.500 -5.376 1.00 . A A . 5 SER N 1 1 10 2868 1 1 5 SER O O 6.108 -1.064 -2.178 1.00 . A A . 5 SER O 1 1 10 2869 1 1 5 SER OG O 4.681 2.658 -4.050 1.00 . A A . 5 SER OG 1 1 10 2870 1 1 6 LEU C C 6.225 -3.749 -2.819 1.00 . A A . 6 LEU C 1 1 10 2871 1 1 6 LEU CA C 5.124 -3.232 -3.754 1.00 . A A . 6 LEU CA 1 1 10 2872 1 1 6 LEU CB C 5.079 -4.109 -5.012 1.00 . A A . 6 LEU CB 1 1 10 2873 1 1 6 LEU CD1 C 3.750 -6.054 -4.128 1.00 . A A . 6 LEU CD1 1 1 10 2874 1 1 6 LEU CD2 C 5.278 -6.370 -6.078 1.00 . A A . 6 LEU CD2 1 1 10 2875 1 1 6 LEU CG C 5.056 -5.623 -4.772 1.00 . A A . 6 LEU CG 1 1 10 2876 1 1 6 LEU H H 5.076 -1.576 -5.071 1.00 . A A . 6 LEU H 1 1 10 2877 1 1 6 LEU HA H 4.174 -3.309 -3.248 1.00 . A A . 6 LEU HA 1 1 10 2878 1 1 6 LEU HB2 H 4.195 -3.845 -5.575 1.00 . A A . 6 LEU HB2 1 1 10 2879 1 1 6 LEU HB3 H 5.945 -3.879 -5.613 1.00 . A A . 6 LEU HB3 1 1 10 2880 1 1 6 LEU HD11 H 3.629 -5.544 -3.184 1.00 . A A . 6 LEU HD11 1 1 10 2881 1 1 6 LEU HD12 H 3.766 -7.121 -3.962 1.00 . A A . 6 LEU HD12 1 1 10 2882 1 1 6 LEU HD13 H 2.926 -5.803 -4.781 1.00 . A A . 6 LEU HD13 1 1 10 2883 1 1 6 LEU HD21 H 6.231 -6.085 -6.497 1.00 . A A . 6 LEU HD21 1 1 10 2884 1 1 6 LEU HD22 H 4.490 -6.122 -6.774 1.00 . A A . 6 LEU HD22 1 1 10 2885 1 1 6 LEU HD23 H 5.272 -7.433 -5.889 1.00 . A A . 6 LEU HD23 1 1 10 2886 1 1 6 LEU HG H 5.859 -5.883 -4.098 1.00 . A A . 6 LEU HG 1 1 10 2887 1 1 6 LEU N N 5.311 -1.828 -4.153 1.00 . A A . 6 LEU N 1 1 10 2888 1 1 6 LEU O O 5.925 -4.396 -1.814 1.00 . A A . 6 LEU O 1 1 10 2889 1 1 7 GLY C C 8.486 -3.451 -0.872 1.00 . A A . 7 GLY C 1 1 10 2890 1 1 7 GLY CA C 8.591 -3.918 -2.314 1.00 . A A . 7 GLY CA 1 1 10 2891 1 1 7 GLY H H 7.665 -2.924 -3.944 1.00 . A A . 7 GLY H 1 1 10 2892 1 1 7 GLY HA2 H 8.611 -4.997 -2.328 1.00 . A A . 7 GLY HA2 1 1 10 2893 1 1 7 GLY HA3 H 9.514 -3.547 -2.735 1.00 . A A . 7 GLY HA3 1 1 10 2894 1 1 7 GLY N N 7.482 -3.458 -3.139 1.00 . A A . 7 GLY N 1 1 10 2895 1 1 7 GLY O O 8.897 -4.155 0.052 1.00 . A A . 7 GLY O 1 1 10 2896 1 1 8 ARG C C 6.377 -2.139 1.216 1.00 . A A . 8 ARG C 1 1 10 2897 1 1 8 ARG CA C 7.734 -1.722 0.657 1.00 . A A . 8 ARG CA 1 1 10 2898 1 1 8 ARG CB C 7.861 -0.200 0.631 1.00 . A A . 8 ARG CB 1 1 10 2899 1 1 8 ARG CD C 9.350 1.789 0.242 1.00 . A A . 8 ARG CD 1 1 10 2900 1 1 8 ARG CG C 9.291 0.285 0.459 1.00 . A A . 8 ARG CG 1 1 10 2901 1 1 8 ARG CZ C 8.249 3.331 -1.348 1.00 . A A . 8 ARG CZ 1 1 10 2902 1 1 8 ARG H H 7.612 -1.752 -1.453 1.00 . A A . 8 ARG H 1 1 10 2903 1 1 8 ARG HA H 8.508 -2.128 1.293 1.00 . A A . 8 ARG HA 1 1 10 2904 1 1 8 ARG HB2 H 7.271 0.188 -0.187 1.00 . A A . 8 ARG HB2 1 1 10 2905 1 1 8 ARG HB3 H 7.479 0.197 1.559 1.00 . A A . 8 ARG HB3 1 1 10 2906 1 1 8 ARG HD2 H 8.751 2.274 0.999 1.00 . A A . 8 ARG HD2 1 1 10 2907 1 1 8 ARG HD3 H 10.375 2.112 0.332 1.00 . A A . 8 ARG HD3 1 1 10 2908 1 1 8 ARG HE H 8.980 1.529 -1.811 1.00 . A A . 8 ARG HE 1 1 10 2909 1 1 8 ARG HG2 H 9.853 0.037 1.346 1.00 . A A . 8 ARG HG2 1 1 10 2910 1 1 8 ARG HG3 H 9.727 -0.211 -0.396 1.00 . A A . 8 ARG HG3 1 1 10 2911 1 1 8 ARG HH11 H 8.318 4.032 0.559 1.00 . A A . 8 ARG HH11 1 1 10 2912 1 1 8 ARG HH12 H 7.589 5.099 -0.604 1.00 . A A . 8 ARG HH12 1 1 10 2913 1 1 8 ARG HH21 H 8.030 2.924 -3.322 1.00 . A A . 8 ARG HH21 1 1 10 2914 1 1 8 ARG HH22 H 7.416 4.471 -2.801 1.00 . A A . 8 ARG HH22 1 1 10 2915 1 1 8 ARG N N 7.925 -2.268 -0.676 1.00 . A A . 8 ARG N 1 1 10 2916 1 1 8 ARG NE N 8.846 2.171 -1.077 1.00 . A A . 8 ARG NE 1 1 10 2917 1 1 8 ARG NH1 N 8.033 4.223 -0.388 1.00 . A A . 8 ARG NH1 1 1 10 2918 1 1 8 ARG NH2 N 7.867 3.597 -2.588 1.00 . A A . 8 ARG NH2 1 1 10 2919 1 1 8 ARG O O 6.193 -2.203 2.432 1.00 . A A . 8 ARG O 1 1 10 2920 1 1 9 LYS C C 4.277 -4.297 1.411 1.00 . A A . 9 LYS C 1 1 10 2921 1 1 9 LYS CA C 4.125 -2.932 0.739 1.00 . A A . 9 LYS CA 1 1 10 2922 1 1 9 LYS CB C 3.175 -3.040 -0.459 1.00 . A A . 9 LYS CB 1 1 10 2923 1 1 9 LYS CD C 0.824 -3.523 -1.261 1.00 . A A . 9 LYS CD 1 1 10 2924 1 1 9 LYS CE C 1.351 -4.248 -2.486 1.00 . A A . 9 LYS CE 1 1 10 2925 1 1 9 LYS CG C 1.801 -3.594 -0.096 1.00 . A A . 9 LYS CG 1 1 10 2926 1 1 9 LYS H H 5.617 -2.296 -0.629 1.00 . A A . 9 LYS H 1 1 10 2927 1 1 9 LYS HA H 3.708 -2.231 1.450 1.00 . A A . 9 LYS HA 1 1 10 2928 1 1 9 LYS HB2 H 3.044 -2.058 -0.889 1.00 . A A . 9 LYS HB2 1 1 10 2929 1 1 9 LYS HB3 H 3.617 -3.692 -1.196 1.00 . A A . 9 LYS HB3 1 1 10 2930 1 1 9 LYS HD2 H -0.110 -3.976 -0.963 1.00 . A A . 9 LYS HD2 1 1 10 2931 1 1 9 LYS HD3 H 0.656 -2.486 -1.513 1.00 . A A . 9 LYS HD3 1 1 10 2932 1 1 9 LYS HE2 H 2.252 -3.757 -2.818 1.00 . A A . 9 LYS HE2 1 1 10 2933 1 1 9 LYS HE3 H 1.578 -5.270 -2.217 1.00 . A A . 9 LYS HE3 1 1 10 2934 1 1 9 LYS HG2 H 1.912 -4.626 0.200 1.00 . A A . 9 LYS HG2 1 1 10 2935 1 1 9 LYS HG3 H 1.403 -3.024 0.732 1.00 . A A . 9 LYS HG3 1 1 10 2936 1 1 9 LYS HZ1 H 0.845 -4.460 -4.503 1.00 . A A . 9 LYS HZ1 1 1 10 2937 1 1 9 LYS HZ2 H -0.099 -3.317 -3.675 1.00 . A A . 9 LYS HZ2 1 1 10 2938 1 1 9 LYS HZ3 H -0.367 -4.974 -3.432 1.00 . A A . 9 LYS HZ3 1 1 10 2939 1 1 9 LYS N N 5.432 -2.430 0.327 1.00 . A A . 9 LYS N 1 1 10 2940 1 1 9 LYS NZ N 0.366 -4.250 -3.600 1.00 . A A . 9 LYS NZ 1 1 10 2941 1 1 9 LYS O O 3.628 -4.582 2.417 1.00 . A A . 9 LYS O 1 1 10 2942 1 1 10 ILE C C 6.146 -6.317 2.763 1.00 . A A . 10 ILE C 1 1 10 2943 1 1 10 ILE CA C 5.437 -6.449 1.415 1.00 . A A . 10 ILE CA 1 1 10 2944 1 1 10 ILE CB C 6.343 -7.282 0.473 1.00 . A A . 10 ILE CB 1 1 10 2945 1 1 10 ILE CD1 C 4.443 -8.087 -1.035 1.00 . A A . 10 ILE CD1 1 1 10 2946 1 1 10 ILE CG1 C 5.760 -7.350 -0.942 1.00 . A A . 10 ILE CG1 1 1 10 2947 1 1 10 ILE CG2 C 6.552 -8.687 1.027 1.00 . A A . 10 ILE CG2 1 1 10 2948 1 1 10 ILE H H 5.618 -4.850 0.029 1.00 . A A . 10 ILE H 1 1 10 2949 1 1 10 ILE HA H 4.502 -6.973 1.551 1.00 . A A . 10 ILE HA 1 1 10 2950 1 1 10 ILE HB H 7.308 -6.799 0.429 1.00 . A A . 10 ILE HB 1 1 10 2951 1 1 10 ILE HD11 H 4.576 -9.106 -0.703 1.00 . A A . 10 ILE HD11 1 1 10 2952 1 1 10 ILE HD12 H 4.101 -8.084 -2.059 1.00 . A A . 10 ILE HD12 1 1 10 2953 1 1 10 ILE HD13 H 3.710 -7.597 -0.408 1.00 . A A . 10 ILE HD13 1 1 10 2954 1 1 10 ILE HG12 H 5.599 -6.346 -1.304 1.00 . A A . 10 ILE HG12 1 1 10 2955 1 1 10 ILE HG13 H 6.468 -7.851 -1.587 1.00 . A A . 10 ILE HG13 1 1 10 2956 1 1 10 ILE HG21 H 7.196 -9.242 0.362 1.00 . A A . 10 ILE HG21 1 1 10 2957 1 1 10 ILE HG22 H 5.599 -9.189 1.107 1.00 . A A . 10 ILE HG22 1 1 10 2958 1 1 10 ILE HG23 H 7.009 -8.624 2.003 1.00 . A A . 10 ILE HG23 1 1 10 2959 1 1 10 ILE N N 5.153 -5.129 0.852 1.00 . A A . 10 ILE N 1 1 10 2960 1 1 10 ILE O O 5.953 -7.134 3.663 1.00 . A A . 10 ILE O 1 1 10 2961 1 1 11 LEU C C 7.120 -5.096 5.366 1.00 . A A . 11 LEU C 1 1 10 2962 1 1 11 LEU CA C 7.852 -5.071 4.017 1.00 . A A . 11 LEU CA 1 1 10 2963 1 1 11 LEU CB C 8.608 -3.746 3.836 1.00 . A A . 11 LEU CB 1 1 10 2964 1 1 11 LEU CD1 C 9.949 -3.625 5.972 1.00 . A A . 11 LEU CD1 1 1 10 2965 1 1 11 LEU CD2 C 10.860 -4.845 3.996 1.00 . A A . 11 LEU CD2 1 1 10 2966 1 1 11 LEU CG C 10.012 -3.670 4.456 1.00 . A A . 11 LEU CG 1 1 10 2967 1 1 11 LEU H H 6.913 -4.571 2.191 1.00 . A A . 11 LEU H 1 1 10 2968 1 1 11 LEU HA H 8.566 -5.880 3.996 1.00 . A A . 11 LEU HA 1 1 10 2969 1 1 11 LEU HB2 H 8.698 -3.555 2.777 1.00 . A A . 11 LEU HB2 1 1 10 2970 1 1 11 LEU HB3 H 8.007 -2.959 4.270 1.00 . A A . 11 LEU HB3 1 1 10 2971 1 1 11 LEU HD11 H 9.430 -4.500 6.335 1.00 . A A . 11 LEU HD11 1 1 10 2972 1 1 11 LEU HD12 H 9.422 -2.737 6.284 1.00 . A A . 11 LEU HD12 1 1 10 2973 1 1 11 LEU HD13 H 10.952 -3.611 6.373 1.00 . A A . 11 LEU HD13 1 1 10 2974 1 1 11 LEU HD21 H 11.838 -4.781 4.449 1.00 . A A . 11 LEU HD21 1 1 10 2975 1 1 11 LEU HD22 H 10.958 -4.819 2.920 1.00 . A A . 11 LEU HD22 1 1 10 2976 1 1 11 LEU HD23 H 10.385 -5.768 4.292 1.00 . A A . 11 LEU HD23 1 1 10 2977 1 1 11 LEU HG H 10.494 -2.763 4.119 1.00 . A A . 11 LEU HG 1 1 10 2978 1 1 11 LEU N N 6.939 -5.257 2.889 1.00 . A A . 11 LEU N 1 1 10 2979 1 1 11 LEU O O 7.605 -5.698 6.323 1.00 . A A . 11 LEU O 1 1 10 2980 1 1 12 ARG C C 4.654 -5.731 7.111 1.00 . A A . 12 ARG C 1 1 10 2981 1 1 12 ARG CA C 5.217 -4.373 6.702 1.00 . A A . 12 ARG CA 1 1 10 2982 1 1 12 ARG CB C 4.085 -3.344 6.624 1.00 . A A . 12 ARG CB 1 1 10 2983 1 1 12 ARG CD C 1.784 -2.817 5.792 1.00 . A A . 12 ARG CD 1 1 10 2984 1 1 12 ARG CG C 3.025 -3.663 5.584 1.00 . A A . 12 ARG CG 1 1 10 2985 1 1 12 ARG CZ C 0.561 -2.250 7.867 1.00 . A A . 12 ARG CZ 1 1 10 2986 1 1 12 ARG H H 5.583 -4.039 4.633 1.00 . A A . 12 ARG H 1 1 10 2987 1 1 12 ARG HA H 5.917 -4.056 7.461 1.00 . A A . 12 ARG HA 1 1 10 2988 1 1 12 ARG HB2 H 3.602 -3.284 7.589 1.00 . A A . 12 ARG HB2 1 1 10 2989 1 1 12 ARG HB3 H 4.509 -2.379 6.387 1.00 . A A . 12 ARG HB3 1 1 10 2990 1 1 12 ARG HD2 H 2.073 -1.778 5.814 1.00 . A A . 12 ARG HD2 1 1 10 2991 1 1 12 ARG HD3 H 1.105 -2.986 4.970 1.00 . A A . 12 ARG HD3 1 1 10 2992 1 1 12 ARG HE H 1.037 -4.106 7.282 1.00 . A A . 12 ARG HE 1 1 10 2993 1 1 12 ARG HG2 H 3.425 -3.465 4.600 1.00 . A A . 12 ARG HG2 1 1 10 2994 1 1 12 ARG HG3 H 2.758 -4.707 5.663 1.00 . A A . 12 ARG HG3 1 1 10 2995 1 1 12 ARG HH11 H 1.208 -0.633 6.820 1.00 . A A . 12 ARG HH11 1 1 10 2996 1 1 12 ARG HH12 H 0.261 -0.277 8.237 1.00 . A A . 12 ARG HH12 1 1 10 2997 1 1 12 ARG HH21 H -0.178 -3.640 9.151 1.00 . A A . 12 ARG HH21 1 1 10 2998 1 1 12 ARG HH22 H -0.489 -1.984 9.582 1.00 . A A . 12 ARG HH22 1 1 10 2999 1 1 12 ARG N N 5.953 -4.459 5.438 1.00 . A A . 12 ARG N 1 1 10 3000 1 1 12 ARG NE N 1.104 -3.147 7.046 1.00 . A A . 12 ARG NE 1 1 10 3001 1 1 12 ARG NH1 N 0.690 -0.951 7.624 1.00 . A A . 12 ARG NH1 1 1 10 3002 1 1 12 ARG NH2 N -0.089 -2.656 8.950 1.00 . A A . 12 ARG NH2 1 1 10 3003 1 1 12 ARG O O 4.321 -5.939 8.276 1.00 . A A . 12 ARG O 1 1 10 3004 1 1 13 ALA C C 2.669 -8.024 6.991 1.00 . A A . 13 ALA C 1 1 10 3005 1 1 13 ALA CA C 4.070 -7.996 6.382 1.00 . A A . 13 ALA CA 1 1 10 3006 1 1 13 ALA CB C 5.047 -8.767 7.261 1.00 . A A . 13 ALA CB 1 1 10 3007 1 1 13 ALA H H 4.817 -6.385 5.233 1.00 . A A . 13 ALA H 1 1 10 3008 1 1 13 ALA HA H 4.032 -8.493 5.425 1.00 . A A . 13 ALA HA 1 1 10 3009 1 1 13 ALA HB1 H 6.035 -8.722 6.827 1.00 . A A . 13 ALA HB1 1 1 10 3010 1 1 13 ALA HB2 H 4.732 -9.798 7.334 1.00 . A A . 13 ALA HB2 1 1 10 3011 1 1 13 ALA HB3 H 5.068 -8.327 8.249 1.00 . A A . 13 ALA HB3 1 1 10 3012 1 1 13 ALA N N 4.548 -6.637 6.143 1.00 . A A . 13 ALA N 1 1 10 3013 1 1 13 ALA O O 2.507 -8.074 8.210 1.00 . A A . 13 ALA O 1 1 10 3014 1 1 14 TRP C C -0.010 -9.582 6.869 1.00 . A A . 14 TRP C 1 1 10 3015 1 1 14 TRP CA C 0.275 -8.113 6.580 1.00 . A A . 14 TRP CA 1 1 10 3016 1 1 14 TRP CB C -0.704 -7.588 5.522 1.00 . A A . 14 TRP CB 1 1 10 3017 1 1 14 TRP CD1 C 0.190 -5.713 4.024 1.00 . A A . 14 TRP CD1 1 1 10 3018 1 1 14 TRP CD2 C 0.527 -7.771 3.215 1.00 . A A . 14 TRP CD2 1 1 10 3019 1 1 14 TRP CE2 C 1.061 -6.840 2.308 1.00 . A A . 14 TRP CE2 1 1 10 3020 1 1 14 TRP CE3 C 0.624 -9.131 2.917 1.00 . A A . 14 TRP CE3 1 1 10 3021 1 1 14 TRP CG C -0.029 -7.029 4.306 1.00 . A A . 14 TRP CG 1 1 10 3022 1 1 14 TRP CH2 C 1.762 -8.567 0.861 1.00 . A A . 14 TRP CH2 1 1 10 3023 1 1 14 TRP CZ2 C 1.682 -7.227 1.125 1.00 . A A . 14 TRP CZ2 1 1 10 3024 1 1 14 TRP CZ3 C 1.240 -9.515 1.744 1.00 . A A . 14 TRP CZ3 1 1 10 3025 1 1 14 TRP H H 1.844 -7.797 5.189 1.00 . A A . 14 TRP H 1 1 10 3026 1 1 14 TRP HA H 0.154 -7.546 7.491 1.00 . A A . 14 TRP HA 1 1 10 3027 1 1 14 TRP HB2 H -1.347 -8.398 5.206 1.00 . A A . 14 TRP HB2 1 1 10 3028 1 1 14 TRP HB3 H -1.308 -6.806 5.959 1.00 . A A . 14 TRP HB3 1 1 10 3029 1 1 14 TRP HD1 H -0.114 -4.897 4.660 1.00 . A A . 14 TRP HD1 1 1 10 3030 1 1 14 TRP HE1 H 1.115 -4.749 2.407 1.00 . A A . 14 TRP HE1 1 1 10 3031 1 1 14 TRP HE3 H 0.227 -9.880 3.587 1.00 . A A . 14 TRP HE3 1 1 10 3032 1 1 14 TRP HH2 H 2.236 -8.914 -0.045 1.00 . A A . 14 TRP HH2 1 1 10 3033 1 1 14 TRP HZ2 H 2.091 -6.508 0.433 1.00 . A A . 14 TRP HZ2 1 1 10 3034 1 1 14 TRP HZ3 H 1.323 -10.564 1.500 1.00 . A A . 14 TRP HZ3 1 1 10 3035 1 1 14 TRP N N 1.659 -7.962 6.136 1.00 . A A . 14 TRP N 1 1 10 3036 1 1 14 TRP NE1 N 0.845 -5.593 2.825 1.00 . A A . 14 TRP NE1 1 1 10 3037 1 1 14 TRP O O -0.156 -9.981 8.022 1.00 . A A . 14 TRP O 1 1 10 3038 1 1 15 LYS C C 1.105 -12.494 5.423 1.00 . A A . 15 LYS C 1 1 10 3039 1 1 15 LYS CA C -0.166 -11.832 5.958 1.00 . A A . 15 LYS CA 1 1 10 3040 1 1 15 LYS CB C -1.436 -12.396 5.286 1.00 . A A . 15 LYS CB 1 1 10 3041 1 1 15 LYS CD C -0.770 -12.375 2.840 1.00 . A A . 15 LYS CD 1 1 10 3042 1 1 15 LYS CE C -1.333 -12.224 1.436 1.00 . A A . 15 LYS CE 1 1 10 3043 1 1 15 LYS CG C -1.748 -11.869 3.886 1.00 . A A . 15 LYS CG 1 1 10 3044 1 1 15 LYS H H -0.077 -9.995 4.914 1.00 . A A . 15 LYS H 1 1 10 3045 1 1 15 LYS HA H -0.224 -12.037 7.019 1.00 . A A . 15 LYS HA 1 1 10 3046 1 1 15 LYS HB2 H -1.333 -13.468 5.215 1.00 . A A . 15 LYS HB2 1 1 10 3047 1 1 15 LYS HB3 H -2.283 -12.177 5.920 1.00 . A A . 15 LYS HB3 1 1 10 3048 1 1 15 LYS HD2 H 0.147 -11.809 2.914 1.00 . A A . 15 LYS HD2 1 1 10 3049 1 1 15 LYS HD3 H -0.568 -13.419 3.027 1.00 . A A . 15 LYS HD3 1 1 10 3050 1 1 15 LYS HE2 H -1.730 -11.225 1.326 1.00 . A A . 15 LYS HE2 1 1 10 3051 1 1 15 LYS HE3 H -0.536 -12.375 0.724 1.00 . A A . 15 LYS HE3 1 1 10 3052 1 1 15 LYS HG2 H -2.741 -12.189 3.610 1.00 . A A . 15 LYS HG2 1 1 10 3053 1 1 15 LYS HG3 H -1.713 -10.788 3.904 1.00 . A A . 15 LYS HG3 1 1 10 3054 1 1 15 LYS HZ1 H -2.020 -14.178 1.160 1.00 . A A . 15 LYS HZ1 1 1 10 3055 1 1 15 LYS HZ2 H -2.860 -13.020 0.244 1.00 . A A . 15 LYS HZ2 1 1 10 3056 1 1 15 LYS HZ3 H -3.147 -13.155 1.911 1.00 . A A . 15 LYS HZ3 1 1 10 3057 1 1 15 LYS N N -0.075 -10.385 5.812 1.00 . A A . 15 LYS N 1 1 10 3058 1 1 15 LYS NZ N -2.415 -13.209 1.169 1.00 . A A . 15 LYS NZ 1 1 10 3059 1 1 15 LYS O O 1.133 -13.693 5.146 1.00 . A A . 15 LYS O 1 1 10 3060 1 1 16 LYS C C 3.487 -12.971 3.645 1.00 . A A . 16 LYS C 1 1 10 3061 1 1 16 LYS CA C 3.492 -12.144 4.931 1.00 . A A . 16 LYS CA 1 1 10 3062 1 1 16 LYS CB C 4.073 -12.956 6.095 1.00 . A A . 16 LYS CB 1 1 10 3063 1 1 16 LYS CD C 6.327 -11.842 6.032 1.00 . A A . 16 LYS CD 1 1 10 3064 1 1 16 LYS CE C 7.814 -12.043 6.279 1.00 . A A . 16 LYS CE 1 1 10 3065 1 1 16 LYS CG C 5.578 -13.164 6.021 1.00 . A A . 16 LYS CG 1 1 10 3066 1 1 16 LYS H H 2.009 -10.717 5.410 1.00 . A A . 16 LYS H 1 1 10 3067 1 1 16 LYS HA H 4.111 -11.274 4.774 1.00 . A A . 16 LYS HA 1 1 10 3068 1 1 16 LYS HB2 H 3.850 -12.444 7.019 1.00 . A A . 16 LYS HB2 1 1 10 3069 1 1 16 LYS HB3 H 3.598 -13.926 6.109 1.00 . A A . 16 LYS HB3 1 1 10 3070 1 1 16 LYS HD2 H 6.193 -11.355 5.077 1.00 . A A . 16 LYS HD2 1 1 10 3071 1 1 16 LYS HD3 H 5.923 -11.218 6.816 1.00 . A A . 16 LYS HD3 1 1 10 3072 1 1 16 LYS HE2 H 8.213 -12.680 5.503 1.00 . A A . 16 LYS HE2 1 1 10 3073 1 1 16 LYS HE3 H 8.307 -11.083 6.247 1.00 . A A . 16 LYS HE3 1 1 10 3074 1 1 16 LYS HG2 H 5.893 -13.752 6.869 1.00 . A A . 16 LYS HG2 1 1 10 3075 1 1 16 LYS HG3 H 5.813 -13.692 5.108 1.00 . A A . 16 LYS HG3 1 1 10 3076 1 1 16 LYS HZ1 H 7.581 -12.143 8.353 1.00 . A A . 16 LYS HZ1 1 1 10 3077 1 1 16 LYS HZ2 H 9.092 -12.681 7.807 1.00 . A A . 16 LYS HZ2 1 1 10 3078 1 1 16 LYS HZ3 H 7.722 -13.659 7.603 1.00 . A A . 16 LYS HZ3 1 1 10 3079 1 1 16 LYS N N 2.149 -11.675 5.275 1.00 . A A . 16 LYS N 1 1 10 3080 1 1 16 LYS NZ N 8.070 -12.676 7.600 1.00 . A A . 16 LYS NZ 1 1 10 3081 1 1 16 LYS O O 3.912 -14.124 3.641 1.00 . A A . 16 LYS O 1 1 10 3082 1 1 17 TYR C C 2.444 -14.413 1.226 1.00 . A A . 17 TYR C 1 1 10 3083 1 1 17 TYR CA C 2.925 -12.956 1.220 1.00 . A A . 17 TYR CA 1 1 10 3084 1 1 17 TYR CB C 4.277 -12.821 0.478 1.00 . A A . 17 TYR CB 1 1 10 3085 1 1 17 TYR CD1 C 6.332 -12.696 1.949 1.00 . A A . 17 TYR CD1 1 1 10 3086 1 1 17 TYR CD2 C 5.754 -14.809 1.005 1.00 . A A . 17 TYR CD2 1 1 10 3087 1 1 17 TYR CE1 C 7.430 -13.267 2.563 1.00 . A A . 17 TYR CE1 1 1 10 3088 1 1 17 TYR CE2 C 6.847 -15.387 1.618 1.00 . A A . 17 TYR CE2 1 1 10 3089 1 1 17 TYR CG C 5.474 -13.456 1.160 1.00 . A A . 17 TYR CG 1 1 10 3090 1 1 17 TYR CZ C 7.682 -14.613 2.395 1.00 . A A . 17 TYR CZ 1 1 10 3091 1 1 17 TYR H H 2.628 -11.453 2.682 1.00 . A A . 17 TYR H 1 1 10 3092 1 1 17 TYR HA H 2.194 -12.383 0.668 1.00 . A A . 17 TYR HA 1 1 10 3093 1 1 17 TYR HB2 H 4.183 -13.280 -0.494 1.00 . A A . 17 TYR HB2 1 1 10 3094 1 1 17 TYR HB3 H 4.495 -11.771 0.345 1.00 . A A . 17 TYR HB3 1 1 10 3095 1 1 17 TYR HD1 H 6.131 -11.643 2.081 1.00 . A A . 17 TYR HD1 1 1 10 3096 1 1 17 TYR HD2 H 5.099 -15.414 0.395 1.00 . A A . 17 TYR HD2 1 1 10 3097 1 1 17 TYR HE1 H 8.084 -12.660 3.172 1.00 . A A . 17 TYR HE1 1 1 10 3098 1 1 17 TYR HE2 H 7.044 -16.441 1.486 1.00 . A A . 17 TYR HE2 1 1 10 3099 1 1 17 TYR HH H 8.816 -14.913 3.925 1.00 . A A . 17 TYR HH 1 1 10 3100 1 1 17 TYR N N 2.983 -12.356 2.568 1.00 . A A . 17 TYR N 1 1 10 3101 1 1 17 TYR O O 2.776 -15.190 0.330 1.00 . A A . 17 TYR O 1 1 10 3102 1 1 17 TYR OH O 8.776 -15.188 3.000 1.00 . A A . 17 TYR OH 1 1 10 3103 1 1 18 GLY C C -0.371 -16.155 1.978 1.00 . A A . 18 GLY C 1 1 10 3104 1 1 18 GLY CA C 1.104 -16.105 2.303 1.00 . A A . 18 GLY CA 1 1 10 3105 1 1 18 GLY H H 1.388 -14.101 2.891 1.00 . A A . 18 GLY H 1 1 10 3106 1 1 18 GLY HA2 H 1.639 -16.740 1.612 1.00 . A A . 18 GLY HA2 1 1 10 3107 1 1 18 GLY HA3 H 1.253 -16.474 3.307 1.00 . A A . 18 GLY HA3 1 1 10 3108 1 1 18 GLY N N 1.631 -14.762 2.213 1.00 . A A . 18 GLY N 1 1 10 3109 1 1 18 GLY O O -1.083 -16.998 2.554 1.00 . A A . 18 GLY O 1 1 10 3110 1 1 18 GLY OXT O -0.827 -15.350 1.142 1.00 . A A . 18 GLY OXT 1 1 stop_ save_
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