NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
373773 | 1e0q | cing | 4-filtered-FRED | STAR | entry | full | 232 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1e0q # This FRED archive file contains, for PDB entry <1e0q>: # # - 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, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend, # JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with # curated sets of experimental NMR restraints for over 4,000 protein and nucleic # acid PDB entries. (in preparation) 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.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_1e0q _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1e0q _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 1934.30 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 $UBIQUITIN_1_17_THR9ASP A . 1 1 stop_ save_ save_UBIQUITIN_1_17_THR9ASP _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "UBIQUITIN 1 17 THR9ASP" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code MQIFVKTLDGKTITLEV _Entity.Number_of_monomers 17 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 MET . 1 1 2 GLN . 1 1 3 ILE . 1 1 4 PHE . 1 1 5 VAL . 1 1 6 LYS . 1 1 7 THR . 1 1 8 LEU . 1 1 9 ASP . 1 1 10 GLY . 1 1 11 LYS . 1 1 12 THR . 1 1 13 ILE . 1 1 14 THR . 1 1 15 LEU . 1 1 16 GLU . 1 1 17 VAL . 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 MET 1 1 1 1 GLN 2 2 1 1 ILE 3 3 1 1 PHE 4 4 1 1 VAL 5 5 1 1 LYS 6 6 1 1 THR 7 7 1 1 LEU 8 8 1 1 ASP 9 9 1 1 GLY 10 10 1 1 LYS 11 11 1 1 THR 12 12 1 1 ILE 13 13 1 1 THR 14 14 1 1 LEU 15 15 1 1 GLU 16 16 1 1 VAL 17 17 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 1 MET HA . 1 . HA 1 1 1 1 2 1 1 1 MET QB . 1 . HB# 1 1 2 1 1 1 1 1 MET HA . 1 . HA 1 1 2 1 2 1 1 1 MET QG . 1 . HG# 1 1 3 1 1 1 1 1 MET QB . 1 . HB# 1 1 3 1 2 1 1 1 MET QG . 1 . HG# 1 1 4 1 1 1 1 1 MET QB . 1 . HB# 1 1 4 1 2 1 1 1 MET ME . 1 . HE# 1 1 5 1 1 1 1 1 MET ME . 1 . HE# 1 1 5 1 2 1 1 1 MET QG . 1 . HG# 1 1 6 1 1 1 1 2 GLN H . 2 . HN 1 1 6 1 2 1 1 2 GLN QB . 2 . HB# 1 1 7 1 1 1 1 2 GLN H . 2 . HN 1 1 7 1 2 1 1 2 GLN QG . 2 . HG# 1 1 8 1 1 1 1 2 GLN HA . 2 . HA 1 1 8 1 2 1 1 2 GLN QB . 2 . HB# 1 1 9 1 1 1 1 2 GLN HA . 2 . HA 1 1 9 1 2 1 1 2 GLN QG . 2 . HG# 1 1 10 1 1 1 1 2 GLN QB . 2 . HB# 1 1 10 1 2 1 1 2 GLN QG . 2 . HG# 1 1 11 1 1 1 1 3 ILE HA . 3 . HA 1 1 11 1 2 1 1 3 ILE HB . 3 . HB 1 1 12 1 1 1 1 3 ILE HA . 3 . HA 1 1 12 1 2 1 1 3 ILE MG . 3 . HG2# 1 1 13 1 1 1 1 3 ILE HB . 3 . HB 1 1 13 1 2 1 1 3 ILE MG . 3 . HG2# 1 1 14 1 1 1 1 4 PHE H . 4 . HN 1 1 14 1 2 1 1 4 PHE QB . 4 . HB# 1 1 15 1 1 1 1 4 PHE H . 4 . HN 1 1 15 1 2 1 1 4 PHE QE . 4 . HE# 1 1 16 1 1 1 1 4 PHE HA . 4 . HA 1 1 16 1 2 1 1 4 PHE QB . 4 . HB# 1 1 17 1 1 1 1 4 PHE HA . 4 . HA 1 1 17 1 2 1 1 4 PHE QE . 4 . HE# 1 1 18 1 1 1 1 4 PHE QB . 4 . HB# 1 1 18 1 2 1 1 4 PHE QD . 4 . HD# 1 1 19 1 1 1 1 6 LYS H . 6 . HN 1 1 19 1 2 1 1 6 LYS QB . 6 . HB# 1 1 20 1 1 1 1 6 LYS H . 6 . HN 1 1 20 1 2 1 1 6 LYS QD . 6 . HD# 1 1 21 1 1 1 1 6 LYS QB . 6 . HB# 1 1 21 1 2 1 1 6 LYS QD . 6 . HD# 1 1 22 1 1 1 1 6 LYS QE . 6 . HE# 1 1 22 1 2 1 1 6 LYS QG . 6 . HG# 1 1 23 1 1 1 1 6 LYS QG . 6 . HG# 1 1 23 1 2 1 1 6 LYS QZ . 6 . HZ# 1 1 24 1 1 1 1 6 LYS QD . 6 . HD# 1 1 24 1 2 1 1 6 LYS QE . 6 . HE# 1 1 25 1 1 1 1 7 THR HA . 7 . HA 1 1 25 1 2 1 1 7 THR HB . 7 . HB 1 1 26 1 1 1 1 7 THR HA . 7 . HA 1 1 26 1 2 1 1 7 THR MG . 7 . HG2# 1 1 27 1 1 1 1 7 THR HB . 7 . HB 1 1 27 1 2 1 1 7 THR MG . 7 . HG2# 1 1 28 1 1 1 1 8 LEU H . 8 . HN 1 1 28 1 2 1 1 8 LEU QB . 8 . HB# 1 1 29 1 1 1 1 8 LEU H . 8 . HN 1 1 29 1 2 1 1 8 LEU QD . 8 . HD# 1 1 30 1 1 1 1 8 LEU HA . 8 . HA 1 1 30 1 2 1 1 8 LEU QB . 8 . HB# 1 1 31 1 1 1 1 8 LEU HA . 8 . HA 1 1 31 1 2 1 1 8 LEU QD . 8 . HD# 1 1 32 1 1 1 1 9 ASP HA . 9 . HA 1 1 32 1 2 1 1 9 ASP QB . 9 . HB# 1 1 33 1 1 1 1 10 GLY H . 10 . HN 1 1 33 1 2 1 1 10 GLY QA . 10 . HA# 1 1 34 1 1 1 1 11 LYS H . 11 . HN 1 1 34 1 2 1 1 11 LYS QB . 11 . HB# 1 1 35 1 1 1 1 11 LYS H . 11 . HN 1 1 35 1 2 1 1 11 LYS QG . 11 . HG# 1 1 36 1 1 1 1 11 LYS H . 11 . HN 1 1 36 1 2 1 1 11 LYS QD . 11 . HD# 1 1 37 1 1 1 1 11 LYS H . 11 . HN 1 1 37 1 2 1 1 11 LYS QE . 11 . HE# 1 1 38 1 1 1 1 11 LYS QB . 11 . HB# 1 1 38 1 2 1 1 11 LYS QD . 11 . HD# 1 1 39 1 1 1 1 11 LYS QB . 11 . HB# 1 1 39 1 2 1 1 11 LYS QE . 11 . HE# 1 1 40 1 1 1 1 11 LYS QE . 11 . HE# 1 1 40 1 2 1 1 11 LYS QG . 11 . HG# 1 1 41 1 1 1 1 11 LYS QG . 11 . HG# 1 1 41 1 2 1 1 11 LYS QZ . 11 . HZ# 1 1 42 1 1 1 1 12 THR H . 12 . HN 1 1 42 1 2 1 1 12 THR MG . 12 . HG2# 1 1 43 1 1 1 1 12 THR HA . 12 . HA 1 1 43 1 2 1 1 12 THR HB . 12 . HB 1 1 44 1 1 1 1 12 THR HA . 12 . HA 1 1 44 1 2 1 1 12 THR MG . 12 . HG2# 1 1 45 1 1 1 1 12 THR HB . 12 . HB 1 1 45 1 2 1 1 12 THR MG . 12 . HG2# 1 1 46 1 1 1 1 13 ILE HA . 13 . HA 1 1 46 1 2 1 1 13 ILE HB . 13 . HB 1 1 47 1 1 1 1 13 ILE HA . 13 . HA 1 1 47 1 2 1 1 13 ILE QG . 13 . HG1# 1 1 48 1 1 1 1 13 ILE HB . 13 . HB 1 1 48 1 2 1 1 13 ILE MG . 13 . HG2# 1 1 49 1 1 1 1 13 ILE HB . 13 . HB 1 1 49 1 2 1 1 13 ILE MD . 13 . HD1# 1 1 50 1 1 1 1 13 ILE MD . 13 . HD1# 1 1 50 1 2 1 1 13 ILE MG . 13 . HG2# 1 1 51 1 1 1 1 14 THR H . 14 . HN 1 1 51 1 2 1 1 14 THR MG . 14 . HG2# 1 1 52 1 1 1 1 14 THR HA . 14 . HA 1 1 52 1 2 1 1 14 THR HB . 14 . HB 1 1 53 1 1 1 1 14 THR HA . 14 . HA 1 1 53 1 2 1 1 14 THR MG . 14 . HG2# 1 1 54 1 1 1 1 14 THR HB . 14 . HB 1 1 54 1 2 1 1 14 THR MG . 14 . HG2# 1 1 55 1 1 1 1 15 LEU H . 15 . HN 1 1 55 1 2 1 1 15 LEU QB . 15 . HB# 1 1 56 1 1 1 1 15 LEU H . 15 . HN 1 1 56 1 2 1 1 15 LEU QD . 15 . HD# 1 1 57 1 1 1 1 15 LEU HA . 15 . HA 1 1 57 1 2 1 1 15 LEU QD . 15 . HD# 1 1 58 1 1 1 1 16 GLU H . 16 . HN 1 1 58 1 2 1 1 16 GLU QB . 16 . HB# 1 1 59 1 1 1 1 16 GLU H . 16 . HN 1 1 59 1 2 1 1 16 GLU QG . 16 . HG# 1 1 60 1 1 1 1 16 GLU HA . 16 . HA 1 1 60 1 2 1 1 16 GLU QB . 16 . HB# 1 1 61 1 1 1 1 16 GLU HA . 16 . HA 1 1 61 1 2 1 1 16 GLU QG . 16 . HG# 1 1 62 1 1 1 1 17 VAL HA . 17 . HA 1 1 62 1 2 1 1 17 VAL HB . 17 . HB 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.5 0.0 2.5 1 1 2 1 . . . . . 3.5 0.0 3.5 1 1 3 1 . . . . . 2.5 0.0 2.5 1 1 4 1 . . . . . 2.5 0.0 2.5 1 1 5 1 . . . . . 3.5 0.0 3.5 1 1 6 1 . . . . . 3.5 0.0 3.5 1 1 7 1 . . . . . 5.0 0.0 5.0 1 1 8 1 . . . . . 2.5 0.0 2.5 1 1 9 1 . . . . . 3.5 0.0 3.5 1 1 10 1 . . . . . 2.5 0.0 2.5 1 1 11 1 . . . . . 2.5 0.0 2.5 1 1 12 1 . . . . . 3.5 0.0 3.5 1 1 13 1 . . . . . 2.5 0.0 2.5 1 1 14 1 . . . . . 3.5 0.0 3.5 1 1 15 1 . . . . . 6.0 0.0 6.0 1 1 16 1 . . . . . 2.5 0.0 2.5 1 1 17 1 . . . . . 6.0 0.0 6.0 1 1 18 1 . . . . . 2.5 0.0 2.5 1 1 19 1 . . . . . 3.5 0.0 3.5 1 1 20 1 . . . . . 6.0 0.0 6.0 1 1 21 1 . . . . . 2.5 0.0 2.5 1 1 22 1 . . . . . 3.5 0.0 3.5 1 1 23 1 . . . . . 3.5 0.0 3.5 1 1 24 1 . . . . . 2.5 0.0 2.5 1 1 25 1 . . . . . 2.5 0.0 2.5 1 1 26 1 . . . . . 3.5 0.0 3.5 1 1 27 1 . . . . . 2.5 0.0 2.5 1 1 28 1 . . . . . 3.5 0.0 3.5 1 1 29 1 . . . . . 5.0 0.0 5.0 1 1 30 1 . . . . . 2.5 0.0 2.5 1 1 31 1 . . . . . 3.5 0.0 3.5 1 1 32 1 . . . . . 2.5 0.0 2.5 1 1 33 1 . . . . . 2.5 0.0 2.5 1 1 34 1 . . . . . 3.5 0.0 3.5 1 1 35 1 . . . . . 5.0 0.0 5.0 1 1 36 1 . . . . . 5.0 0.0 5.0 1 1 37 1 . . . . . 6.0 0.0 6.0 1 1 38 1 . . . . . 2.5 0.0 2.5 1 1 39 1 . . . . . 3.5 0.0 3.5 1 1 40 1 . . . . . 2.5 0.0 2.5 1 1 41 1 . . . . . 3.5 0.0 3.5 1 1 42 1 . . . . . 3.5 0.0 3.5 1 1 43 1 . . . . . 2.5 0.0 2.5 1 1 44 1 . . . . . 3.5 0.0 3.5 1 1 45 1 . . . . . 2.5 0.0 2.5 1 1 46 1 . . . . . 2.5 0.0 2.5 1 1 47 1 . . . . . 3.5 0.0 3.5 1 1 48 1 . . . . . 2.5 0.0 2.5 1 1 49 1 . . . . . 3.5 0.0 3.5 1 1 50 1 . . . . . 2.5 0.0 2.5 1 1 51 1 . . . . . 3.5 0.0 3.5 1 1 52 1 . . . . . 2.5 0.0 2.5 1 1 53 1 . . . . . 3.5 0.0 3.5 1 1 54 1 . . . . . 2.5 0.0 2.5 1 1 55 1 . . . . . 3.5 0.0 3.5 1 1 56 1 . . . . . 5.0 0.0 5.0 1 1 57 1 . . . . . 3.5 0.0 3.5 1 1 58 1 . . . . . 3.5 0.0 3.5 1 1 59 1 . . . . . 5.0 0.0 5.0 1 1 60 1 . . . . . 2.5 0.0 2.5 1 1 61 1 . . . . . 3.5 0.0 3.5 1 1 62 1 . . . . . 2.5 0.0 2.5 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_5_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _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 2 2 1 . . . 1 2 3 1 . . . 1 2 4 1 . . . 1 2 5 1 . . . 1 2 6 1 . . . 1 2 7 1 . . . 1 2 8 1 . . . 1 2 9 1 . . . 1 2 10 1 . . . 1 2 11 1 . . . 1 2 12 1 . . . 1 2 13 1 . . . 1 2 14 1 . . . 1 2 15 1 . . . 1 2 16 1 . . . 1 2 17 1 . . . 1 2 18 1 . . . 1 2 19 1 . . . 1 2 20 1 . . . 1 2 21 1 . . . 1 2 22 1 . . . 1 2 23 1 . . . 1 2 24 1 . . . 1 2 25 1 . . . 1 2 26 1 . . . 1 2 27 1 . . . 1 2 28 1 . . . 1 2 29 1 . . . 1 2 30 1 . . . 1 2 31 1 . . . 1 2 32 1 . . . 1 2 33 1 . . . 1 2 34 1 . . . 1 2 35 1 . . . 1 2 36 1 . . . 1 2 37 1 . . . 1 2 38 1 . . . 1 2 39 1 . . . 1 2 40 1 . . . 1 2 41 1 . . . 1 2 42 1 . . . 1 2 43 1 . . . 1 2 44 1 . . . 1 2 45 1 . . . 1 2 46 1 . . . 1 2 47 1 . . . 1 2 48 1 . . . 1 2 49 1 . . . 1 2 50 1 . . . 1 2 51 1 . . . 1 2 52 1 . . . 1 2 53 1 . . . 1 2 54 1 . . . 1 2 55 1 . . . 1 2 56 1 . . . 1 2 57 1 . . . 1 2 58 1 . . . 1 2 59 1 . . . 1 2 60 1 . . . 1 2 61 1 . . . 1 2 62 1 . . . 1 2 63 1 . . . 1 2 64 1 . . . 1 2 65 1 . . . 1 2 66 1 . . . 1 2 67 1 . . . 1 2 68 1 . . . 1 2 69 1 . . . 1 2 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 1 MET HA . 1 . HA 1 2 1 1 2 1 1 2 GLN H . 2 . HN 1 2 2 1 1 1 1 1 MET HA . 1 . HA 1 2 2 1 2 1 1 2 GLN QB . 2 . HB# 1 2 3 1 1 1 1 1 MET QB . 1 . HB# 1 2 3 1 2 1 1 2 GLN H . 2 . HN 1 2 4 1 1 1 1 1 MET QG . 1 . HG# 1 2 4 1 2 1 1 2 GLN H . 2 . HN 1 2 5 1 1 1 1 2 GLN H . 2 . HN 1 2 5 1 2 1 1 3 ILE MG . 3 . HG2# 1 2 6 1 1 1 1 2 GLN HA . 2 . HA 1 2 6 1 2 1 1 3 ILE H . 3 . HN 1 2 7 1 1 1 1 2 GLN QB . 2 . HB# 1 2 7 1 2 1 1 3 ILE H . 3 . HN 1 2 8 1 1 1 1 2 GLN QB . 2 . HB# 1 2 8 1 2 1 1 3 ILE HA . 3 . HA 1 2 9 1 1 1 1 2 GLN QG . 2 . HG# 1 2 9 1 2 1 1 3 ILE H . 3 . HN 1 2 10 1 1 1 1 2 GLN QG . 2 . HG# 1 2 10 1 2 1 1 3 ILE HA . 3 . HA 1 2 11 1 1 1 1 3 ILE H . 3 . HN 1 2 11 1 2 1 1 4 PHE QD . 4 . HD# 1 2 12 1 1 1 1 3 ILE HA . 3 . HA 1 2 12 1 2 1 1 4 PHE H . 4 . HN 1 2 13 1 1 1 1 3 ILE HB . 3 . HB 1 2 13 1 2 1 1 4 PHE H . 4 . HN 1 2 14 1 1 1 1 3 ILE MD . 3 . HD1# 1 2 14 1 2 1 1 4 PHE H . 4 . HN 1 2 15 1 1 1 1 4 PHE HA . 4 . HA 1 2 15 1 2 1 1 5 VAL H . 5 . HN 1 2 16 1 1 1 1 4 PHE QB . 4 . HB# 1 2 16 1 2 1 1 5 VAL H . 5 . HN 1 2 17 1 1 1 1 5 VAL HA . 5 . HA 1 2 17 1 2 1 1 6 LYS H . 6 . HN 1 2 18 1 1 1 1 5 VAL HB . 5 . HB 1 2 18 1 2 1 1 6 LYS H . 6 . HN 1 2 19 1 1 1 1 5 VAL QG . 5 . HG# 1 2 19 1 2 1 1 6 LYS H . 6 . HN 1 2 20 1 1 1 1 6 LYS HA . 6 . HA 1 2 20 1 2 1 1 7 THR H . 7 . HN 1 2 21 1 1 1 1 6 LYS HA . 6 . HA 1 2 21 1 2 1 1 7 THR MG . 7 . HG2# 1 2 22 1 1 1 1 6 LYS QB . 6 . HB# 1 2 22 1 2 1 1 7 THR H . 7 . HN 1 2 23 1 1 1 1 6 LYS QG . 6 . HG# 1 2 23 1 2 1 1 7 THR H . 7 . HN 1 2 24 1 1 1 1 6 LYS QD . 6 . HD# 1 2 24 1 2 1 1 7 THR H . 7 . HN 1 2 25 1 1 1 1 7 THR HA . 7 . HA 1 2 25 1 2 1 1 8 LEU H . 8 . HN 1 2 26 1 1 1 1 7 THR HA . 7 . HA 1 2 26 1 2 1 1 8 LEU QD . 8 . HD# 1 2 27 1 1 1 1 7 THR HB . 7 . HB 1 2 27 1 2 1 1 8 LEU H . 8 . HN 1 2 28 1 1 1 1 7 THR HB . 7 . HB 1 2 28 1 2 1 1 8 LEU QD . 8 . HD# 1 2 29 1 1 1 1 7 THR MG . 7 . HG2# 1 2 29 1 2 1 1 8 LEU QD . 8 . HD# 1 2 30 1 1 1 1 8 LEU H . 8 . HN 1 2 30 1 2 1 1 9 ASP H . 9 . HN 1 2 31 1 1 1 1 8 LEU HA . 8 . HA 1 2 31 1 2 1 1 9 ASP HA . 9 . HA 1 2 32 1 1 1 1 8 LEU QB . 8 . HB# 1 2 32 1 2 1 1 9 ASP H . 9 . HN 1 2 33 1 1 1 1 8 LEU QD . 8 . HD# 1 2 33 1 2 1 1 9 ASP QB . 9 . HB# 1 2 34 1 1 1 1 9 ASP H . 9 . HN 1 2 34 1 2 1 1 10 GLY H . 10 . HN 1 2 35 1 1 1 1 9 ASP H . 9 . HN 1 2 35 1 2 1 1 10 GLY QA . 10 . HA# 1 2 36 1 1 1 1 9 ASP HA . 9 . HA 1 2 36 1 2 1 1 10 GLY H . 10 . HN 1 2 37 1 1 1 1 9 ASP QB . 9 . HB# 1 2 37 1 2 1 1 10 GLY H . 10 . HN 1 2 38 1 1 1 1 10 GLY H . 10 . HN 1 2 38 1 2 1 1 11 LYS H . 11 . HN 1 2 39 1 1 1 1 10 GLY H . 10 . HN 1 2 39 1 2 1 1 11 LYS QB . 11 . HB# 1 2 40 1 1 1 1 10 GLY H . 10 . HN 1 2 40 1 2 1 1 11 LYS QD . 11 . HD# 1 2 41 1 1 1 1 10 GLY H . 10 . HN 1 2 41 1 2 1 1 11 LYS QE . 11 . HE# 1 2 42 1 1 1 1 10 GLY QA . 10 . HA# 1 2 42 1 2 1 1 11 LYS H . 11 . HN 1 2 43 1 1 1 1 10 GLY QA . 10 . HA# 1 2 43 1 2 1 1 11 LYS QB . 11 . HB# 1 2 44 1 1 1 1 11 LYS HA . 11 . HA 1 2 44 1 2 1 1 12 THR H . 12 . HN 1 2 45 1 1 1 1 11 LYS HA . 11 . HA 1 2 45 1 2 1 1 12 THR HB . 12 . HB 1 2 46 1 1 1 1 11 LYS QB . 11 . HB# 1 2 46 1 2 1 1 12 THR H . 12 . HN 1 2 47 1 1 1 1 12 THR HA . 12 . HA 1 2 47 1 2 1 1 13 ILE H . 13 . HN 1 2 48 1 1 1 1 12 THR HA . 12 . HA 1 2 48 1 2 1 1 13 ILE MG . 13 . HG2# 1 2 49 1 1 1 1 12 THR HA . 12 . HA 1 2 49 1 2 1 1 13 ILE MD . 13 . HD1# 1 2 50 1 1 1 1 12 THR HB . 12 . HB 1 2 50 1 2 1 1 13 ILE H . 13 . HN 1 2 51 1 1 1 1 12 THR MG . 12 . HG2# 1 2 51 1 2 1 1 13 ILE H . 13 . HN 1 2 52 1 1 1 1 13 ILE HA . 13 . HA 1 2 52 1 2 1 1 14 THR H . 14 . HN 1 2 53 1 1 1 1 13 ILE HB . 13 . HB 1 2 53 1 2 1 1 14 THR H . 14 . HN 1 2 54 1 1 1 1 13 ILE QG . 13 . HG1# 1 2 54 1 2 1 1 14 THR H . 14 . HN 1 2 55 1 1 1 1 14 THR HA . 14 . HA 1 2 55 1 2 1 1 15 LEU H . 15 . HN 1 2 56 1 1 1 1 14 THR HA . 14 . HA 1 2 56 1 2 1 1 15 LEU QB . 15 . HB# 1 2 57 1 1 1 1 14 THR HA . 14 . HA 1 2 57 1 2 1 1 15 LEU QD . 15 . HD# 1 2 58 1 1 1 1 14 THR HB . 14 . HB 1 2 58 1 2 1 1 15 LEU H . 15 . HN 1 2 59 1 1 1 1 14 THR MG . 14 . HG2# 1 2 59 1 2 1 1 15 LEU H . 15 . HN 1 2 60 1 1 1 1 14 THR MG . 14 . HG2# 1 2 60 1 2 1 1 15 LEU HA . 15 . HA 1 2 61 1 1 1 1 15 LEU HA . 15 . HA 1 2 61 1 2 1 1 16 GLU H . 16 . HN 1 2 62 1 1 1 1 15 LEU HA . 15 . HA 1 2 62 1 2 1 1 16 GLU QG . 16 . HG# 1 2 63 1 1 1 1 15 LEU QB . 15 . HB# 1 2 63 1 2 1 1 16 GLU H . 16 . HN 1 2 64 1 1 1 1 15 LEU QD . 15 . HD# 1 2 64 1 2 1 1 16 GLU H . 16 . HN 1 2 65 1 1 1 1 16 GLU HA . 16 . HA 1 2 65 1 2 1 1 17 VAL H . 17 . HN 1 2 66 1 1 1 1 16 GLU HA . 16 . HA 1 2 66 1 2 1 1 17 VAL QG . 17 . HG# 1 2 67 1 1 1 1 16 GLU QB . 16 . HB# 1 2 67 1 2 1 1 17 VAL H . 17 . HN 1 2 68 1 1 1 1 16 GLU QG . 16 . HG# 1 2 68 1 2 1 1 17 VAL H . 17 . HN 1 2 69 1 1 1 1 16 GLU QG . 16 . HG# 1 2 69 1 2 1 1 17 VAL HA . 17 . HA 1 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.5 0.0 2.5 1 2 2 1 . . . . . 6.0 0.0 6.0 1 2 3 1 . . . . . 5.0 0.0 5.0 1 2 4 1 . . . . . 6.0 0.0 6.0 1 2 5 1 . . . . . 6.0 0.0 6.0 1 2 6 1 . . . . . 2.5 0.0 2.5 1 2 7 1 . . . . . 6.0 0.0 6.0 1 2 8 1 . . . . . 6.0 0.0 6.0 1 2 9 1 . . . . . 6.0 0.0 6.0 1 2 10 1 . . . . . 6.0 0.0 6.0 1 2 11 1 . . . . . 6.0 0.0 6.0 1 2 12 1 . . . . . 2.5 0.0 2.5 1 2 13 1 . . . . . 6.0 0.0 6.0 1 2 14 1 . . . . . 6.0 0.0 6.0 1 2 15 1 . . . . . 2.5 0.0 2.5 1 2 16 1 . . . . . 6.0 0.0 6.0 1 2 17 1 . . . . . 2.5 0.0 2.5 1 2 18 1 . . . . . 5.0 0.0 5.0 1 2 19 1 . . . . . 6.0 0.0 6.0 1 2 20 1 . . . . . 2.5 0.0 2.5 1 2 21 1 . . . . . 6.0 0.0 6.0 1 2 22 1 . . . . . 5.0 0.0 5.0 1 2 23 1 . . . . . 6.0 0.0 6.0 1 2 24 1 . . . . . 6.0 0.0 6.0 1 2 25 1 . . . . . 5.0 0.0 5.0 1 2 26 1 . . . . . 6.0 0.0 6.0 1 2 27 1 . . . . . 3.5 0.0 3.5 1 2 28 1 . . . . . 6.0 0.0 6.0 1 2 29 1 . . . . . 6.0 0.0 6.0 1 2 30 1 . . . . . 3.5 0.0 3.5 1 2 31 1 . . . . . 6.0 0.0 6.0 1 2 32 1 . . . . . 6.0 0.0 6.0 1 2 33 1 . . . . . 6.0 0.0 6.0 1 2 34 1 . . . . . 2.5 0.0 2.5 1 2 35 1 . . . . . 6.0 0.0 6.0 1 2 36 1 . . . . . 5.0 0.0 5.0 1 2 37 1 . . . . . 6.0 0.0 6.0 1 2 38 1 . . . . . 2.5 0.0 2.5 1 2 39 1 . . . . . 6.0 0.0 6.0 1 2 40 1 . . . . . 5.0 0.0 5.0 1 2 41 1 . . . . . 6.0 0.0 6.0 1 2 42 1 . . . . . 5.0 0.0 5.0 1 2 43 1 . . . . . 5.0 0.0 5.0 1 2 44 1 . . . . . 2.5 0.0 2.5 1 2 45 1 . . . . . 6.0 0.0 6.0 1 2 46 1 . . . . . 6.0 0.0 6.0 1 2 47 1 . . . . . 2.5 0.0 2.5 1 2 48 1 . . . . . 6.0 0.0 6.0 1 2 49 1 . . . . . 6.0 0.0 6.0 1 2 50 1 . . . . . 6.0 0.0 6.0 1 2 51 1 . . . . . 6.0 0.0 6.0 1 2 52 1 . . . . . 2.5 0.0 2.5 1 2 53 1 . . . . . 6.0 0.0 6.0 1 2 54 1 . . . . . 6.0 0.0 6.0 1 2 55 1 . . . . . 2.5 0.0 2.5 1 2 56 1 . . . . . 6.0 0.0 6.0 1 2 57 1 . . . . . 6.0 0.0 6.0 1 2 58 1 . . . . . 5.0 0.0 5.0 1 2 59 1 . . . . . 6.0 0.0 6.0 1 2 60 1 . . . . . 6.0 0.0 6.0 1 2 61 1 . . . . . 2.5 0.0 2.5 1 2 62 1 . . . . . 6.0 0.0 6.0 1 2 63 1 . . . . . 5.0 0.0 5.0 1 2 64 1 . . . . . 6.0 0.0 6.0 1 2 65 1 . . . . . 2.5 0.0 2.5 1 2 66 1 . . . . . 6.0 0.0 6.0 1 2 67 1 . . . . . 5.0 0.0 5.0 1 2 68 1 . . . . . 3.5 0.0 3.5 1 2 69 1 . . . . . 6.0 0.0 6.0 1 2 stop_ save_ save_CNS/XPLOR_distance_constraints_7_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 3 _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 3 2 1 . . . 1 3 3 1 . . . 1 3 4 1 . . . 1 3 5 1 . . . 1 3 6 1 . . . 1 3 7 1 . . . 1 3 8 1 . . . 1 3 9 1 . . . 1 3 10 1 . . . 1 3 11 1 . . . 1 3 12 1 . . . 1 3 13 1 . . . 1 3 14 1 . . . 1 3 15 1 . . . 1 3 16 1 . . . 1 3 17 1 . . . 1 3 18 1 . . . 1 3 19 1 . . . 1 3 20 1 . . . 1 3 21 1 . . . 1 3 22 1 . . . 1 3 23 1 . . . 1 3 24 1 . . . 1 3 25 1 . . . 1 3 26 1 . . . 1 3 27 1 . . . 1 3 28 1 . . . 1 3 29 1 . . . 1 3 30 1 . . . 1 3 31 1 . . . 1 3 32 1 . . . 1 3 33 1 . . . 1 3 34 1 . . . 1 3 35 1 . . . 1 3 36 1 . . . 1 3 37 1 . . . 1 3 38 1 . . . 1 3 39 1 . . . 1 3 40 1 . . . 1 3 41 1 . . . 1 3 42 1 . . . 1 3 43 1 . . . 1 3 44 1 . . . 1 3 45 1 . . . 1 3 46 1 . . . 1 3 47 1 . . . 1 3 48 1 . . . 1 3 49 1 . . . 1 3 50 1 . . . 1 3 51 1 . . . 1 3 52 1 . . . 1 3 53 1 . . . 1 3 54 1 . . . 1 3 55 1 . . . 1 3 56 1 . . . 1 3 57 1 . . . 1 3 58 1 . . . 1 3 59 1 . . . 1 3 60 1 . . . 1 3 61 1 . . . 1 3 62 1 . . . 1 3 63 1 . . . 1 3 64 1 . . . 1 3 65 1 . . . 1 3 66 1 . . . 1 3 67 1 . . . 1 3 68 1 . . . 1 3 69 1 . . . 1 3 70 1 . . . 1 3 71 1 . . . 1 3 72 1 . . . 1 3 73 1 . . . 1 3 74 1 . . . 1 3 75 1 . . . 1 3 76 1 . . . 1 3 77 1 . . . 1 3 78 1 . . . 1 3 79 1 . . . 1 3 80 1 . . . 1 3 81 1 . . . 1 3 82 1 . . . 1 3 83 1 . . . 1 3 84 1 . . . 1 3 85 1 . . . 1 3 86 1 . . . 1 3 87 1 . . . 1 3 88 1 . . . 1 3 89 1 . . . 1 3 90 1 . . . 1 3 91 1 . . . 1 3 92 1 . . . 1 3 93 1 . . . 1 3 94 1 . . . 1 3 95 1 . . . 1 3 96 1 . . . 1 3 97 1 . . . 1 3 98 1 . . . 1 3 99 1 . . . 1 3 100 1 . . . 1 3 101 1 . . . 1 3 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 1 MET QB . 1 . HB# 1 3 1 1 2 1 1 3 ILE MG . 3 . HG2# 1 3 2 1 1 1 1 1 MET QB . 1 . HB# 1 3 2 1 2 1 1 3 ILE MD . 3 . HD1# 1 3 3 1 1 1 1 1 MET QB . 1 . HB# 1 3 3 1 2 1 1 17 VAL QG . 17 . HG# 1 3 4 1 1 1 1 1 MET QG . 1 . HG# 1 3 4 1 2 1 1 3 ILE MG . 3 . HG2# 1 3 5 1 1 1 1 1 MET QG . 1 . HG# 1 3 5 1 2 1 1 3 ILE MD . 3 . HD1# 1 3 6 1 1 1 1 1 MET QG . 1 . HG# 1 3 6 1 2 1 1 17 VAL QG . 17 . HG# 1 3 7 1 1 1 1 2 GLN HA . 2 . HA 1 3 7 1 2 1 1 16 GLU QG . 16 . HG# 1 3 8 1 1 1 1 2 GLN QB . 2 . HB# 1 3 8 1 2 1 1 4 PHE QD . 4 . HD# 1 3 9 1 1 1 1 2 GLN QB . 2 . HB# 1 3 9 1 2 1 1 4 PHE QE . 4 . HE# 1 3 10 1 1 1 1 2 GLN QB . 2 . HB# 1 3 10 1 2 1 1 14 THR HB . 14 . HB 1 3 11 1 1 1 1 2 GLN QB . 2 . HB# 1 3 11 1 2 1 1 14 THR MG . 14 . HG2# 1 3 12 1 1 1 1 2 GLN QB . 2 . HB# 1 3 12 1 2 1 1 16 GLU HA . 16 . HA 1 3 13 1 1 1 1 2 GLN QB . 2 . HB# 1 3 13 1 2 1 1 16 GLU QG . 16 . HG# 1 3 14 1 1 1 1 2 GLN QG . 2 . HG# 1 3 14 1 2 1 1 4 PHE QD . 4 . HD# 1 3 15 1 1 1 1 2 GLN QG . 2 . HG# 1 3 15 1 2 1 1 4 PHE QE . 4 . HE# 1 3 16 1 1 1 1 2 GLN QG . 2 . HG# 1 3 16 1 2 1 1 14 THR HB . 14 . HB 1 3 17 1 1 1 1 2 GLN QG . 2 . HG# 1 3 17 1 2 1 1 14 THR MG . 14 . HG2# 1 3 18 1 1 1 1 2 GLN QG . 2 . HG# 1 3 18 1 2 1 1 16 GLU QG . 16 . HG# 1 3 19 1 1 1 1 2 GLN QE . 2 . HE2# 1 3 19 1 2 1 1 4 PHE QD . 4 . HD# 1 3 20 1 1 1 1 2 GLN QE . 2 . HE2# 1 3 20 1 2 1 1 4 PHE QE . 4 . HE# 1 3 21 1 1 1 1 2 GLN QE . 2 . HE2# 1 3 21 1 2 1 1 4 PHE HZ . 4 . HZ 1 3 22 1 1 1 1 2 GLN QE . 2 . HE2# 1 3 22 1 2 1 1 14 THR MG . 14 . HG2# 1 3 23 1 1 1 1 2 GLN QE . 2 . HE2# 1 3 23 1 2 1 1 16 GLU QG . 16 . HG# 1 3 24 1 1 1 1 3 ILE H . 3 . HN 1 3 24 1 2 1 1 15 LEU H . 15 . HN 1 3 25 1 1 1 1 3 ILE H . 3 . HN 1 3 25 1 2 1 1 15 LEU QB . 15 . HB# 1 3 26 1 1 1 1 3 ILE HB . 3 . HB 1 3 26 1 2 1 1 15 LEU QB . 15 . HB# 1 3 27 1 1 1 1 4 PHE HA . 4 . HA 1 3 27 1 2 1 1 14 THR HA . 14 . HA 1 3 28 1 1 1 1 4 PHE HA . 4 . HA 1 3 28 1 2 1 1 14 THR HB . 14 . HB 1 3 29 1 1 1 1 4 PHE HA . 4 . HA 1 3 29 1 2 1 1 14 THR MG . 14 . HG2# 1 3 30 1 1 1 1 4 PHE HA . 4 . HA 1 3 30 1 2 1 1 15 LEU QB . 15 . HB# 1 3 31 1 1 1 1 4 PHE QB . 4 . HB# 1 3 31 1 2 1 1 12 THR MG . 12 . HG2# 1 3 32 1 1 1 1 4 PHE QB . 4 . HB# 1 3 32 1 2 1 1 14 THR HA . 14 . HA 1 3 33 1 1 1 1 4 PHE QB . 4 . HB# 1 3 33 1 2 1 1 14 THR HB . 14 . HB 1 3 34 1 1 1 1 4 PHE QB . 4 . HB# 1 3 34 1 2 1 1 14 THR MG . 14 . HG2# 1 3 35 1 1 1 1 4 PHE QD . 4 . HD# 1 3 35 1 2 1 1 6 LYS QD . 6 . HD# 1 3 36 1 1 1 1 4 PHE QD . 4 . HD# 1 3 36 1 2 1 1 12 THR MG . 12 . HG2# 1 3 37 1 1 1 1 4 PHE QD . 4 . HD# 1 3 37 1 2 1 1 14 THR H . 14 . HN 1 3 38 1 1 1 1 4 PHE QD . 4 . HD# 1 3 38 1 2 1 1 14 THR HA . 14 . HA 1 3 39 1 1 1 1 4 PHE QD . 4 . HD# 1 3 39 1 2 1 1 14 THR HB . 14 . HB 1 3 40 1 1 1 1 4 PHE QD . 4 . HD# 1 3 40 1 2 1 1 14 THR MG . 14 . HG2# 1 3 41 1 1 1 1 4 PHE QD . 4 . HD# 1 3 41 1 2 1 1 15 LEU H . 15 . HN 1 3 42 1 1 1 1 4 PHE QD . 4 . HD# 1 3 42 1 2 1 1 16 GLU QG . 16 . HG# 1 3 43 1 1 1 1 4 PHE QE . 4 . HE# 1 3 43 1 2 1 1 6 LYS QD . 6 . HD# 1 3 44 1 1 1 1 4 PHE QE . 4 . HE# 1 3 44 1 2 1 1 12 THR MG . 12 . HG2# 1 3 45 1 1 1 1 4 PHE QE . 4 . HE# 1 3 45 1 2 1 1 14 THR HA . 14 . HA 1 3 46 1 1 1 1 4 PHE QE . 4 . HE# 1 3 46 1 2 1 1 14 THR HB . 14 . HB 1 3 47 1 1 1 1 4 PHE QE . 4 . HE# 1 3 47 1 2 1 1 14 THR MG . 14 . HG2# 1 3 48 1 1 1 1 4 PHE QE . 4 . HE# 1 3 48 1 2 1 1 15 LEU H . 15 . HN 1 3 49 1 1 1 1 4 PHE QE . 4 . HE# 1 3 49 1 2 1 1 16 GLU QG . 16 . HG# 1 3 50 1 1 1 1 4 PHE HZ . 4 . HZ 1 3 50 1 2 1 1 14 THR HB . 14 . HB 1 3 51 1 1 1 1 4 PHE HZ . 4 . HZ 1 3 51 1 2 1 1 14 THR MG . 14 . HG2# 1 3 52 1 1 1 1 5 VAL H . 5 . HN 1 3 52 1 2 1 1 13 ILE H . 13 . HN 1 3 53 1 1 1 1 5 VAL H . 5 . HN 1 3 53 1 2 1 1 13 ILE QG . 13 . HG1# 1 3 54 1 1 1 1 5 VAL HB . 5 . HB 1 3 54 1 2 1 1 13 ILE QG . 13 . HG1# 1 3 55 1 1 1 1 5 VAL QG . 5 . HG# 1 3 55 1 2 1 1 7 THR MG . 7 . HG2# 1 3 56 1 1 1 1 6 LYS H . 6 . HN 1 3 56 1 2 1 1 12 THR MG . 12 . HG2# 1 3 57 1 1 1 1 6 LYS HA . 6 . HA 1 3 57 1 2 1 1 12 THR HA . 12 . HA 1 3 58 1 1 1 1 6 LYS HA . 6 . HA 1 3 58 1 2 1 1 12 THR MG . 12 . HG2# 1 3 59 1 1 1 1 6 LYS HA . 6 . HA 1 3 59 1 2 1 1 13 ILE H . 13 . HN 1 3 60 1 1 1 1 6 LYS QB . 6 . HB# 1 3 60 1 2 1 1 12 THR HA . 12 . HA 1 3 61 1 1 1 1 6 LYS QB . 6 . HB# 1 3 61 1 2 1 1 12 THR MG . 12 . HG2# 1 3 62 1 1 1 1 6 LYS QG . 6 . HG# 1 3 62 1 2 1 1 8 LEU HA . 8 . HA 1 3 63 1 1 1 1 6 LYS QG . 6 . HG# 1 3 63 1 2 1 1 12 THR HA . 12 . HA 1 3 64 1 1 1 1 6 LYS QG . 6 . HG# 1 3 64 1 2 1 1 12 THR HB . 12 . HB 1 3 65 1 1 1 1 6 LYS QG . 6 . HG# 1 3 65 1 2 1 1 12 THR MG . 12 . HG2# 1 3 66 1 1 1 1 6 LYS QD . 6 . HD# 1 3 66 1 2 1 1 12 THR HA . 12 . HA 1 3 67 1 1 1 1 6 LYS QD . 6 . HD# 1 3 67 1 2 1 1 12 THR HB . 12 . HB 1 3 68 1 1 1 1 6 LYS QD . 6 . HD# 1 3 68 1 2 1 1 12 THR MG . 12 . HG2# 1 3 69 1 1 1 1 6 LYS QE . 6 . HE# 1 3 69 1 2 1 1 8 LEU QD . 8 . HD# 1 3 70 1 1 1 1 6 LYS QE . 6 . HE# 1 3 70 1 2 1 1 12 THR MG . 12 . HG2# 1 3 71 1 1 1 1 7 THR H . 7 . HN 1 3 71 1 2 1 1 9 ASP H . 9 . HN 1 3 72 1 1 1 1 7 THR H . 7 . HN 1 3 72 1 2 1 1 11 LYS H . 11 . HN 1 3 73 1 1 1 1 7 THR H . 7 . HN 1 3 73 1 2 1 1 12 THR HA . 12 . HA 1 3 74 1 1 1 1 7 THR H . 7 . HN 1 3 74 1 2 1 1 13 ILE H . 13 . HN 1 3 75 1 1 1 1 7 THR HB . 7 . HB 1 3 75 1 2 1 1 11 LYS QB . 11 . HB# 1 3 76 1 1 1 1 7 THR HB . 7 . HB 1 3 76 1 2 1 1 11 LYS QD . 11 . HD# 1 3 77 1 1 1 1 7 THR HB . 7 . HB 1 3 77 1 2 1 1 11 LYS QE . 11 . HE# 1 3 78 1 1 1 1 7 THR MG . 7 . HG2# 1 3 78 1 2 1 1 10 GLY H . 10 . HN 1 3 79 1 1 1 1 7 THR MG . 7 . HG2# 1 3 79 1 2 1 1 11 LYS H . 11 . HN 1 3 80 1 1 1 1 7 THR MG . 7 . HG2# 1 3 80 1 2 1 1 11 LYS QB . 11 . HB# 1 3 81 1 1 1 1 7 THR MG . 7 . HG2# 1 3 81 1 2 1 1 11 LYS QG . 11 . HG# 1 3 82 1 1 1 1 7 THR MG . 7 . HG2# 1 3 82 1 2 1 1 11 LYS QD . 11 . HD# 1 3 83 1 1 1 1 7 THR MG . 7 . HG2# 1 3 83 1 2 1 1 11 LYS QE . 11 . HE# 1 3 84 1 1 1 1 7 THR MG . 7 . HG2# 1 3 84 1 2 1 1 12 THR HA . 12 . HA 1 3 85 1 1 1 1 8 LEU HA . 8 . HA 1 3 85 1 2 1 1 10 GLY H . 10 . HN 1 3 86 1 1 1 1 8 LEU QD . 8 . HD# 1 3 86 1 2 1 1 10 GLY H . 10 . HN 1 3 87 1 1 1 1 9 ASP H . 9 . HN 1 3 87 1 2 1 1 11 LYS H . 11 . HN 1 3 88 1 1 1 1 9 ASP HA . 9 . HA 1 3 88 1 2 1 1 11 LYS H . 11 . HN 1 3 89 1 1 1 1 9 ASP QB . 9 . HB# 1 3 89 1 2 1 1 11 LYS QB . 11 . HB# 1 3 90 1 1 1 1 9 ASP QB . 9 . HB# 1 3 90 1 2 1 1 11 LYS QG . 11 . HG# 1 3 91 1 1 1 1 9 ASP QB . 9 . HB# 1 3 91 1 2 1 1 11 LYS QD . 11 . HD# 1 3 92 1 1 1 1 9 ASP QB . 9 . HB# 1 3 92 1 2 1 1 11 LYS QE . 11 . HE# 1 3 93 1 1 1 1 11 LYS QE . 11 . HE# 1 3 93 1 2 1 1 13 ILE MG . 13 . HG2# 1 3 94 1 1 1 1 11 LYS QE . 11 . HE# 1 3 94 1 2 1 1 13 ILE MD . 13 . HD1# 1 3 95 1 1 1 1 11 LYS QZ . 11 . HZ# 1 3 95 1 2 1 1 13 ILE QG . 13 . HG1# 1 3 96 1 1 1 1 11 LYS QZ . 11 . HZ# 1 3 96 1 2 1 1 13 ILE MG . 13 . HG2# 1 3 97 1 1 1 1 13 ILE QG . 13 . HG1# 1 3 97 1 2 1 1 15 LEU QB . 15 . HB# 1 3 98 1 1 1 1 14 THR HB . 14 . HB 1 3 98 1 2 1 1 16 GLU QG . 16 . HG# 1 3 99 1 1 1 1 14 THR MG . 14 . HG2# 1 3 99 1 2 1 1 16 GLU HA . 16 . HA 1 3 100 1 1 1 1 14 THR MG . 14 . HG2# 1 3 100 1 2 1 1 16 GLU QB . 16 . HB# 1 3 101 1 1 1 1 14 THR MG . 14 . HG2# 1 3 101 1 2 1 1 16 GLU QG . 16 . HG# 1 3 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 . . . . . 5.0 0.0 5.0 1 3 2 1 . . . . . 5.0 0.0 5.0 1 3 3 1 . . . . . 5.0 0.0 5.0 1 3 4 1 . . . . . 5.0 0.0 5.0 1 3 5 1 . . . . . 5.0 0.0 5.0 1 3 6 1 . . . . . 5.0 0.0 5.0 1 3 7 1 . . . . . 5.0 0.0 5.0 1 3 8 1 . . . . . 5.0 0.0 5.0 1 3 9 1 . . . . . 5.0 0.0 5.0 1 3 10 1 . . . . . 5.0 0.0 5.0 1 3 11 1 . . . . . 5.0 0.0 5.0 1 3 12 1 . . . . . 6.0 0.0 6.0 1 3 13 1 . . . . . 6.0 0.0 6.0 1 3 14 1 . . . . . 5.0 0.0 5.0 1 3 15 1 . . . . . 6.0 0.0 6.0 1 3 16 1 . . . . . 5.0 0.0 5.0 1 3 17 1 . . . . . 3.5 0.0 3.5 1 3 18 1 . . . . . 5.0 0.0 5.0 1 3 19 1 . . . . . 6.0 0.0 6.0 1 3 20 1 . . . . . 6.0 0.0 6.0 1 3 21 1 . . . . . 6.0 0.0 6.0 1 3 22 1 . . . . . 3.5 0.0 3.5 1 3 23 1 . . . . . 6.0 0.0 6.0 1 3 24 1 . . . . . 5.0 0.0 5.0 1 3 25 1 . . . . . 6.0 0.0 6.0 1 3 26 1 . . . . . 5.0 0.0 5.0 1 3 27 1 . . . . . 3.5 0.0 3.5 1 3 28 1 . . . . . 5.0 0.0 5.0 1 3 29 1 . . . . . 6.0 0.0 6.0 1 3 30 1 . . . . . 6.0 0.0 6.0 1 3 31 1 . . . . . 6.0 0.0 6.0 1 3 32 1 . . . . . 6.0 0.0 6.0 1 3 33 1 . . . . . 6.0 0.0 6.0 1 3 34 1 . . . . . 5.0 0.0 5.0 1 3 35 1 . . . . . 6.0 0.0 6.0 1 3 36 1 . . . . . 5.0 0.0 5.0 1 3 37 1 . . . . . 6.0 0.0 6.0 1 3 38 1 . . . . . 5.0 0.0 5.0 1 3 39 1 . . . . . 5.0 0.0 5.0 1 3 40 1 . . . . . 3.5 0.0 3.5 1 3 41 1 . . . . . 6.0 0.0 6.0 1 3 42 1 . . . . . 6.0 0.0 6.0 1 3 43 1 . . . . . 6.0 0.0 6.0 1 3 44 1 . . . . . 5.0 0.0 5.0 1 3 45 1 . . . . . 6.0 0.0 6.0 1 3 46 1 . . . . . 5.0 0.0 5.0 1 3 47 1 . . . . . 3.5 0.0 3.5 1 3 48 1 . . . . . 6.0 0.0 6.0 1 3 49 1 . . . . . 6.0 0.0 6.0 1 3 50 1 . . . . . 6.0 0.0 6.0 1 3 51 1 . . . . . 3.5 0.0 3.5 1 3 52 1 . . . . . 5.0 0.0 5.0 1 3 53 1 . . . . . 6.0 0.0 6.0 1 3 54 1 . . . . . 6.0 0.0 6.0 1 3 55 1 . . . . . 6.0 0.0 6.0 1 3 56 1 . . . . . 6.0 0.0 6.0 1 3 57 1 . . . . . 3.5 0.0 3.5 1 3 58 1 . . . . . 3.5 0.0 3.5 1 3 59 1 . . . . . 5.0 0.0 5.0 1 3 60 1 . . . . . 5.0 0.0 5.0 1 3 61 1 . . . . . 6.0 0.0 6.0 1 3 62 1 . . . . . 6.0 0.0 6.0 1 3 63 1 . . . . . 5.0 0.0 5.0 1 3 64 1 . . . . . 6.0 0.0 6.0 1 3 65 1 . . . . . 3.5 0.0 3.5 1 3 66 1 . . . . . 5.0 0.0 5.0 1 3 67 1 . . . . . 5.0 0.0 5.0 1 3 68 1 . . . . . 5.0 0.0 5.0 1 3 69 1 . . . . . 6.0 0.0 6.0 1 3 70 1 . . . . . 3.5 0.0 3.5 1 3 71 1 . . . . . 6.0 0.0 6.0 1 3 72 1 . . . . . 6.0 0.0 6.0 1 3 73 1 . . . . . 6.0 0.0 6.0 1 3 74 1 . . . . . 6.0 0.0 6.0 1 3 75 1 . . . . . 6.0 0.0 6.0 1 3 76 1 . . . . . 5.0 0.0 5.0 1 3 77 1 . . . . . 6.0 0.0 6.0 1 3 78 1 . . . . . 6.0 0.0 6.0 1 3 79 1 . . . . . 6.0 0.0 6.0 1 3 80 1 . . . . . 5.0 0.0 5.0 1 3 81 1 . . . . . 5.0 0.0 5.0 1 3 82 1 . . . . . 5.0 0.0 5.0 1 3 83 1 . . . . . 5.0 0.0 5.0 1 3 84 1 . . . . . 6.0 0.0 6.0 1 3 85 1 . . . . . 6.0 0.0 6.0 1 3 86 1 . . . . . 6.0 0.0 6.0 1 3 87 1 . . . . . 5.0 0.0 5.0 1 3 88 1 . . . . . 6.0 0.0 6.0 1 3 89 1 . . . . . 6.0 0.0 6.0 1 3 90 1 . . . . . 6.0 0.0 6.0 1 3 91 1 . . . . . 5.0 0.0 5.0 1 3 92 1 . . . . . 6.0 0.0 6.0 1 3 93 1 . . . . . 6.0 0.0 6.0 1 3 94 1 . . . . . 6.0 0.0 6.0 1 3 95 1 . . . . . 6.0 0.0 6.0 1 3 96 1 . . . . . 6.0 0.0 6.0 1 3 97 1 . . . . . 6.0 0.0 6.0 1 3 98 1 . . . . . 6.0 0.0 6.0 1 3 99 1 . . . . . 6.0 0.0 6.0 1 3 100 1 . . . . . 5.0 0.0 5.0 1 3 101 1 . . . . . 5.0 0.0 5.0 1 3 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 MET C C -11.787 1.526 -1.118 1.00 . A A . 1 MET C 1 1 1 2 1 1 1 MET CA C -13.198 2.131 -0.872 1.00 . A A . 1 MET CA 1 1 1 3 1 1 1 MET CB C -13.269 2.907 0.521 1.00 . A A . 1 MET CB 1 1 1 4 1 1 1 MET CE C -15.421 3.174 3.488 1.00 . A A . 1 MET CE 1 1 1 5 1 1 1 MET CG C -13.452 2.095 1.844 1.00 . A A . 1 MET CG 1 1 1 6 1 1 1 MET H1 H -14.044 0.236 -0.523 1.00 . A A . 1 MET H1 1 1 1 7 1 1 1 MET H2 H -15.186 1.479 -0.639 1.00 . A A . 1 MET H2 1 1 1 8 1 1 1 MET H3 H -14.434 0.885 -2.035 1.00 . A A . 1 MET H3 1 1 1 9 1 1 1 MET HA H -13.359 2.861 -1.656 1.00 . A A . 1 MET HA 1 1 1 10 1 1 1 MET HB2 H -12.351 3.466 0.631 1.00 . A A . 1 MET HB2 1 1 1 11 1 1 1 MET HB3 H -14.085 3.617 0.462 1.00 . A A . 1 MET HB3 1 1 1 12 1 1 1 MET HE1 H -14.978 4.084 3.111 1.00 . A A . 1 MET HE1 1 1 1 13 1 1 1 MET HE2 H -16.478 3.328 3.652 1.00 . A A . 1 MET HE2 1 1 1 14 1 1 1 MET HE3 H -14.947 2.899 4.419 1.00 . A A . 1 MET HE3 1 1 1 15 1 1 1 MET HG2 H -12.996 1.125 1.719 1.00 . A A . 1 MET HG2 1 1 1 16 1 1 1 MET HG3 H -12.956 2.624 2.645 1.00 . A A . 1 MET HG3 1 1 1 17 1 1 1 MET N N -14.294 1.109 -1.029 1.00 . A A . 1 MET N 1 1 1 18 1 1 1 MET O O -11.496 0.406 -0.598 1.00 . A A . 1 MET O 1 1 1 19 1 1 1 MET SD S -15.188 1.861 2.287 1.00 . A A . 1 MET SD 1 1 1 20 1 1 2 GLN C C -8.592 3.140 -1.835 1.00 . A A . 2 GLN C 1 1 1 21 1 1 2 GLN CA C -9.540 1.987 -2.259 1.00 . A A . 2 GLN CA 1 1 1 22 1 1 2 GLN CB C -9.405 1.658 -3.770 1.00 . A A . 2 GLN CB 1 1 1 23 1 1 2 GLN CD C -9.998 -0.064 -5.566 1.00 . A A . 2 GLN CD 1 1 1 24 1 1 2 GLN CG C -9.595 0.179 -4.110 1.00 . A A . 2 GLN CG 1 1 1 25 1 1 2 GLN H H -11.297 3.174 -2.226 1.00 . A A . 2 GLN H 1 1 1 26 1 1 2 GLN HA H -9.266 1.110 -1.685 1.00 . A A . 2 GLN HA 1 1 1 27 1 1 2 GLN HB2 H -10.140 2.226 -4.317 1.00 . A A . 2 GLN HB2 1 1 1 28 1 1 2 GLN HB3 H -8.418 1.951 -4.098 1.00 . A A . 2 GLN HB3 1 1 1 29 1 1 2 GLN HE21 H -8.081 -0.258 -6.141 1.00 . A A . 2 GLN HE21 1 1 1 30 1 1 2 GLN HE22 H -9.265 -0.428 -7.388 1.00 . A A . 2 GLN HE22 1 1 1 31 1 1 2 GLN HG2 H -8.664 -0.339 -3.923 1.00 . A A . 2 GLN HG2 1 1 1 32 1 1 2 GLN HG3 H -10.364 -0.226 -3.468 1.00 . A A . 2 GLN HG3 1 1 1 33 1 1 2 GLN N N -10.946 2.316 -1.897 1.00 . A A . 2 GLN N 1 1 1 34 1 1 2 GLN NE2 N -9.013 -0.272 -6.454 1.00 . A A . 2 GLN NE2 1 1 1 35 1 1 2 GLN O O -8.869 4.347 -2.146 1.00 . A A . 2 GLN O 1 1 1 36 1 1 2 GLN OE1 O -11.188 -0.082 -5.896 1.00 . A A . 2 GLN OE1 1 1 1 37 1 1 3 ILE C C -5.049 2.871 -0.556 1.00 . A A . 3 ILE C 1 1 1 38 1 1 3 ILE CA C -6.408 3.621 -0.533 1.00 . A A . 3 ILE CA 1 1 1 39 1 1 3 ILE CB C -6.719 4.291 0.908 1.00 . A A . 3 ILE CB 1 1 1 40 1 1 3 ILE CD1 C -6.581 3.100 3.243 1.00 . A A . 3 ILE CD1 1 1 1 41 1 1 3 ILE CG1 C -7.391 3.318 1.977 1.00 . A A . 3 ILE CG1 1 1 1 42 1 1 3 ILE CG2 C -7.580 5.550 0.708 1.00 . A A . 3 ILE CG2 1 1 1 43 1 1 3 ILE H H -7.400 1.766 -0.903 1.00 . A A . 3 ILE H 1 1 1 44 1 1 3 ILE HA H -6.309 4.433 -1.248 1.00 . A A . 3 ILE HA 1 1 1 45 1 1 3 ILE HB H -5.768 4.631 1.298 1.00 . A A . 3 ILE HB 1 1 1 46 1 1 3 ILE HD11 H -6.054 4.008 3.494 1.00 . A A . 3 ILE HD11 1 1 1 47 1 1 3 ILE HD12 H -7.248 2.834 4.050 1.00 . A A . 3 ILE HD12 1 1 1 48 1 1 3 ILE HD13 H -5.872 2.302 3.083 1.00 . A A . 3 ILE HD13 1 1 1 49 1 1 3 ILE HG21 H -8.457 5.297 0.130 1.00 . A A . 3 ILE HG21 1 1 1 50 1 1 3 ILE HG22 H -7.883 5.936 1.670 1.00 . A A . 3 ILE HG22 1 1 1 51 1 1 3 ILE HG23 H -7.005 6.298 0.182 1.00 . A A . 3 ILE HG23 1 1 1 52 1 1 3 ILE N N -7.489 2.727 -1.094 1.00 . A A . 3 ILE N 1 1 1 53 1 1 3 ILE O O -4.942 1.757 0.034 1.00 . A A . 3 ILE O 1 1 1 54 1 1 4 PHE C C -1.649 3.467 -0.480 1.00 . A A . 4 PHE C 1 1 1 55 1 1 4 PHE CA C -2.671 2.984 -1.543 1.00 . A A . 4 PHE CA 1 1 1 56 1 1 4 PHE CB C -2.217 3.407 -2.982 1.00 . A A . 4 PHE CB 1 1 1 57 1 1 4 PHE CD1 C -3.765 2.211 -4.842 1.00 . A A . 4 PHE CD1 1 1 1 58 1 1 4 PHE CD2 C -1.221 1.574 -4.614 1.00 . A A . 4 PHE CD2 1 1 1 59 1 1 4 PHE CE1 C -3.905 1.246 -5.998 1.00 . A A . 4 PHE CE1 1 1 1 60 1 1 4 PHE CE2 C -1.367 0.601 -5.767 1.00 . A A . 4 PHE CE2 1 1 1 61 1 1 4 PHE CG C -2.410 2.392 -4.121 1.00 . A A . 4 PHE CG 1 1 1 62 1 1 4 PHE CZ C -2.707 0.440 -6.462 1.00 . A A . 4 PHE CZ 1 1 1 63 1 1 4 PHE H H -4.296 4.352 -1.743 1.00 . A A . 4 PHE H 1 1 1 64 1 1 4 PHE HA H -2.717 1.907 -1.504 1.00 . A A . 4 PHE HA 1 1 1 65 1 1 4 PHE HB2 H -2.762 4.292 -3.259 1.00 . A A . 4 PHE HB2 1 1 1 66 1 1 4 PHE HB3 H -1.165 3.651 -2.942 1.00 . A A . 4 PHE HB3 1 1 1 67 1 1 4 PHE HD1 H -4.623 2.774 -4.508 1.00 . A A . 4 PHE HD1 1 1 1 68 1 1 4 PHE HD2 H -0.265 1.683 -4.122 1.00 . A A . 4 PHE HD2 1 1 1 69 1 1 4 PHE HE1 H -4.861 1.124 -6.483 1.00 . A A . 4 PHE HE1 1 1 1 70 1 1 4 PHE HE2 H -0.517 0.026 -6.097 1.00 . A A . 4 PHE HE2 1 1 1 71 1 1 4 PHE HZ H -2.807 -0.248 -7.288 1.00 . A A . 4 PHE HZ 1 1 1 72 1 1 4 PHE N N -4.060 3.502 -1.303 1.00 . A A . 4 PHE N 1 1 1 73 1 1 4 PHE O O -1.756 4.632 0.009 1.00 . A A . 4 PHE O 1 1 1 74 1 1 5 VAL C C 1.786 2.100 0.316 1.00 . A A . 5 VAL C 1 1 1 75 1 1 5 VAL CA C 0.460 2.732 0.835 1.00 . A A . 5 VAL CA 1 1 1 76 1 1 5 VAL CB C 0.146 2.266 2.349 1.00 . A A . 5 VAL CB 1 1 1 77 1 1 5 VAL CG1 C -0.681 3.322 3.072 1.00 . A A . 5 VAL CG1 1 1 1 78 1 1 5 VAL CG2 C -0.543 0.872 2.520 1.00 . A A . 5 VAL CG2 1 1 1 79 1 1 5 VAL H H -0.694 1.661 -0.617 1.00 . A A . 5 VAL H 1 1 1 80 1 1 5 VAL HA H 0.627 3.806 0.863 1.00 . A A . 5 VAL HA 1 1 1 81 1 1 5 VAL HB H 1.100 2.217 2.861 1.00 . A A . 5 VAL HB 1 1 1 82 1 1 5 VAL HG11 H -0.135 4.253 3.096 1.00 . A A . 5 VAL HG11 1 1 1 83 1 1 5 VAL HG12 H -1.615 3.466 2.550 1.00 . A A . 5 VAL HG12 1 1 1 84 1 1 5 VAL HG13 H -0.879 2.994 4.083 1.00 . A A . 5 VAL HG13 1 1 1 85 1 1 5 VAL HG21 H -1.491 0.874 2.003 1.00 . A A . 5 VAL HG21 1 1 1 86 1 1 5 VAL HG22 H 0.092 0.103 2.104 1.00 . A A . 5 VAL HG22 1 1 1 87 1 1 5 VAL HG23 H -0.706 0.679 3.570 1.00 . A A . 5 VAL HG23 1 1 1 88 1 1 5 VAL N N -0.666 2.531 -0.159 1.00 . A A . 5 VAL N 1 1 1 89 1 1 5 VAL O O 1.766 0.919 -0.143 1.00 . A A . 5 VAL O 1 1 1 90 1 1 6 LYS C C 5.344 2.808 1.093 1.00 . A A . 6 LYS C 1 1 1 91 1 1 6 LYS CA C 4.293 2.569 -0.036 1.00 . A A . 6 LYS CA 1 1 1 92 1 1 6 LYS CB C 4.665 3.365 -1.316 1.00 . A A . 6 LYS CB 1 1 1 93 1 1 6 LYS CD C 5.464 3.297 -3.729 1.00 . A A . 6 LYS CD 1 1 1 94 1 1 6 LYS CE C 6.623 2.816 -4.593 1.00 . A A . 6 LYS CE 1 1 1 95 1 1 6 LYS CG C 5.395 2.552 -2.394 1.00 . A A . 6 LYS CG 1 1 1 96 1 1 6 LYS H H 2.779 3.831 0.771 1.00 . A A . 6 LYS H 1 1 1 97 1 1 6 LYS HA H 4.286 1.512 -0.272 1.00 . A A . 6 LYS HA 1 1 1 98 1 1 6 LYS HB2 H 3.758 3.757 -1.752 1.00 . A A . 6 LYS HB2 1 1 1 99 1 1 6 LYS HB3 H 5.299 4.193 -1.033 1.00 . A A . 6 LYS HB3 1 1 1 100 1 1 6 LYS HD2 H 4.541 3.132 -4.266 1.00 . A A . 6 LYS HD2 1 1 1 101 1 1 6 LYS HD3 H 5.587 4.356 -3.542 1.00 . A A . 6 LYS HD3 1 1 1 102 1 1 6 LYS HE2 H 7.547 3.173 -4.162 1.00 . A A . 6 LYS HE2 1 1 1 103 1 1 6 LYS HE3 H 6.624 1.736 -4.601 1.00 . A A . 6 LYS HE3 1 1 1 104 1 1 6 LYS HG2 H 6.399 2.348 -2.048 1.00 . A A . 6 LYS HG2 1 1 1 105 1 1 6 LYS HG3 H 4.870 1.618 -2.539 1.00 . A A . 6 LYS HG3 1 1 1 106 1 1 6 LYS HZ1 H 6.460 4.351 -5.999 1.00 . A A . 6 LYS HZ1 1 1 1 107 1 1 6 LYS HZ2 H 7.349 3.016 -6.541 1.00 . A A . 6 LYS HZ2 1 1 1 108 1 1 6 LYS HZ3 H 5.662 2.927 -6.445 1.00 . A A . 6 LYS HZ3 1 1 1 109 1 1 6 LYS N N 2.904 2.929 0.401 1.00 . A A . 6 LYS N 1 1 1 110 1 1 6 LYS NZ N 6.516 3.312 -5.992 1.00 . A A . 6 LYS NZ 1 1 1 111 1 1 6 LYS O O 5.218 3.802 1.872 1.00 . A A . 6 LYS O 1 1 1 112 1 1 7 THR C C 8.891 2.042 1.356 1.00 . A A . 7 THR C 1 1 1 113 1 1 7 THR CA C 7.533 1.852 2.096 1.00 . A A . 7 THR CA 1 1 1 114 1 1 7 THR CB C 7.605 0.537 2.957 1.00 . A A . 7 THR CB 1 1 1 115 1 1 7 THR CG2 C 6.598 0.530 4.110 1.00 . A A . 7 THR CG2 1 1 1 116 1 1 7 THR H H 6.355 1.149 0.456 1.00 . A A . 7 THR H 1 1 1 117 1 1 7 THR HA H 7.398 2.686 2.772 1.00 . A A . 7 THR HA 1 1 1 118 1 1 7 THR HB H 8.597 0.482 3.383 1.00 . A A . 7 THR HB 1 1 1 119 1 1 7 THR HG1 H 6.552 -0.568 1.708 1.00 . A A . 7 THR HG1 1 1 1 120 1 1 7 THR HG21 H 5.638 0.868 3.751 1.00 . A A . 7 THR HG21 1 1 1 121 1 1 7 THR HG22 H 6.504 -0.477 4.496 1.00 . A A . 7 THR HG22 1 1 1 122 1 1 7 THR HG23 H 6.943 1.186 4.894 1.00 . A A . 7 THR HG23 1 1 1 123 1 1 7 THR N N 6.373 1.868 1.126 1.00 . A A . 7 THR N 1 1 1 124 1 1 7 THR O O 9.047 1.550 0.196 1.00 . A A . 7 THR O 1 1 1 125 1 1 7 THR OG1 O 7.407 -0.621 2.142 1.00 . A A . 7 THR OG1 1 1 1 126 1 1 8 LEU C C 12.218 1.822 1.466 1.00 . A A . 8 LEU C 1 1 1 127 1 1 8 LEU CA C 11.270 3.085 1.582 1.00 . A A . 8 LEU CA 1 1 1 128 1 1 8 LEU CB C 11.893 4.170 2.505 1.00 . A A . 8 LEU CB 1 1 1 129 1 1 8 LEU CD1 C 10.811 6.388 3.206 1.00 . A A . 8 LEU CD1 1 1 1 130 1 1 8 LEU CD2 C 12.826 6.431 1.723 1.00 . A A . 8 LEU CD2 1 1 1 131 1 1 8 LEU CG C 11.565 5.649 2.102 1.00 . A A . 8 LEU CG 1 1 1 132 1 1 8 LEU H H 9.615 3.082 2.965 1.00 . A A . 8 LEU H 1 1 1 133 1 1 8 LEU HA H 11.166 3.506 0.594 1.00 . A A . 8 LEU HA 1 1 1 134 1 1 8 LEU HB2 H 11.540 3.985 3.513 1.00 . A A . 8 LEU HB2 1 1 1 135 1 1 8 LEU HB3 H 12.966 4.032 2.499 1.00 . A A . 8 LEU HB3 1 1 1 136 1 1 8 LEU HD11 H 9.955 5.804 3.510 1.00 . A A . 8 LEU HD11 1 1 1 137 1 1 8 LEU HD12 H 11.466 6.536 4.052 1.00 . A A . 8 LEU HD12 1 1 1 138 1 1 8 LEU HD13 H 10.479 7.346 2.836 1.00 . A A . 8 LEU HD13 1 1 1 139 1 1 8 LEU HD21 H 13.540 6.376 2.530 1.00 . A A . 8 LEU HD21 1 1 1 140 1 1 8 LEU HD22 H 13.258 6.003 0.830 1.00 . A A . 8 LEU HD22 1 1 1 141 1 1 8 LEU HD23 H 12.567 7.463 1.539 1.00 . A A . 8 LEU HD23 1 1 1 142 1 1 8 LEU HG H 10.920 5.638 1.232 1.00 . A A . 8 LEU HG 1 1 1 143 1 1 8 LEU N N 9.863 2.762 2.066 1.00 . A A . 8 LEU N 1 1 1 144 1 1 8 LEU O O 13.260 1.901 0.738 1.00 . A A . 8 LEU O 1 1 1 145 1 1 9 ASP C C 12.446 -1.442 0.836 1.00 . A A . 9 ASP C 1 1 1 146 1 1 9 ASP CA C 12.533 -0.665 2.186 1.00 . A A . 9 ASP CA 1 1 1 147 1 1 9 ASP CB C 12.014 -1.546 3.351 1.00 . A A . 9 ASP CB 1 1 1 148 1 1 9 ASP CG C 12.859 -1.432 4.615 1.00 . A A . 9 ASP CG 1 1 1 149 1 1 9 ASP H H 10.965 0.725 2.658 1.00 . A A . 9 ASP H 1 1 1 150 1 1 9 ASP HA H 13.575 -0.447 2.370 1.00 . A A . 9 ASP HA 1 1 1 151 1 1 9 ASP HB2 H 11.004 -1.251 3.593 1.00 . A A . 9 ASP HB2 1 1 1 152 1 1 9 ASP HB3 H 12.012 -2.580 3.034 1.00 . A A . 9 ASP HB3 1 1 1 153 1 1 9 ASP N N 11.808 0.667 2.159 1.00 . A A . 9 ASP N 1 1 1 154 1 1 9 ASP O O 13.481 -2.052 0.447 1.00 . A A . 9 ASP O 1 1 1 155 1 1 9 ASP OD1 O 13.819 -2.222 4.766 1.00 . A A . 9 ASP OD1 1 1 1 156 1 1 9 ASP OD2 O 12.553 -0.561 5.460 1.00 . A A . 9 ASP OD2 1 1 1 157 1 1 10 GLY C C 9.745 -2.977 -1.134 1.00 . A A . 10 GLY C 1 1 1 158 1 1 10 GLY CA C 10.943 -2.032 -1.156 1.00 . A A . 10 GLY CA 1 1 1 159 1 1 10 GLY H H 10.496 -0.855 0.566 1.00 . A A . 10 GLY H 1 1 1 160 1 1 10 GLY HA2 H 11.819 -2.591 -1.454 1.00 . A A . 10 GLY HA2 1 1 1 161 1 1 10 GLY HA3 H 10.760 -1.265 -1.892 1.00 . A A . 10 GLY HA3 1 1 1 162 1 1 10 GLY N N 11.219 -1.380 0.153 1.00 . A A . 10 GLY N 1 1 1 163 1 1 10 GLY O O 9.938 -4.184 -1.433 1.00 . A A . 10 GLY O 1 1 1 164 1 1 11 LYS C C 6.041 -2.246 -1.316 1.00 . A A . 11 LYS C 1 1 1 165 1 1 11 LYS CA C 7.191 -3.112 -0.720 1.00 . A A . 11 LYS CA 1 1 1 166 1 1 11 LYS CB C 6.831 -3.505 0.742 1.00 . A A . 11 LYS CB 1 1 1 167 1 1 11 LYS CD C 7.140 -5.022 2.711 1.00 . A A . 11 LYS CD 1 1 1 168 1 1 11 LYS CE C 8.004 -6.117 3.310 1.00 . A A . 11 LYS CE 1 1 1 169 1 1 11 LYS CG C 7.441 -4.808 1.232 1.00 . A A . 11 LYS CG 1 1 1 170 1 1 11 LYS H H 8.510 -1.433 -0.593 1.00 . A A . 11 LYS H 1 1 1 171 1 1 11 LYS HA H 7.278 -4.012 -1.310 1.00 . A A . 11 LYS HA 1 1 1 172 1 1 11 LYS HB2 H 7.163 -2.718 1.399 1.00 . A A . 11 LYS HB2 1 1 1 173 1 1 11 LYS HB3 H 5.756 -3.588 0.819 1.00 . A A . 11 LYS HB3 1 1 1 174 1 1 11 LYS HD2 H 7.329 -4.103 3.246 1.00 . A A . 11 LYS HD2 1 1 1 175 1 1 11 LYS HD3 H 6.100 -5.297 2.820 1.00 . A A . 11 LYS HD3 1 1 1 176 1 1 11 LYS HE2 H 8.016 -6.960 2.637 1.00 . A A . 11 LYS HE2 1 1 1 177 1 1 11 LYS HE3 H 9.006 -5.733 3.431 1.00 . A A . 11 LYS HE3 1 1 1 178 1 1 11 LYS HG2 H 7.025 -5.628 0.665 1.00 . A A . 11 LYS HG2 1 1 1 179 1 1 11 LYS HG3 H 8.511 -4.772 1.089 1.00 . A A . 11 LYS HG3 1 1 1 180 1 1 11 LYS HZ1 H 7.423 -5.753 5.284 1.00 . A A . 11 LYS HZ1 1 1 1 181 1 1 11 LYS HZ2 H 6.553 -6.993 4.531 1.00 . A A . 11 LYS HZ2 1 1 1 182 1 1 11 LYS HZ3 H 8.140 -7.267 5.049 1.00 . A A . 11 LYS HZ3 1 1 1 183 1 1 11 LYS N N 8.519 -2.396 -0.792 1.00 . A A . 11 LYS N 1 1 1 184 1 1 11 LYS NZ N 7.494 -6.564 4.636 1.00 . A A . 11 LYS NZ 1 1 1 185 1 1 11 LYS O O 6.028 -0.987 -1.111 1.00 . A A . 11 LYS O 1 1 1 186 1 1 12 THR C C 2.655 -3.353 -2.498 1.00 . A A . 12 THR C 1 1 1 187 1 1 12 THR CA C 3.855 -2.377 -2.686 1.00 . A A . 12 THR CA 1 1 1 188 1 1 12 THR CB C 4.053 -1.977 -4.207 1.00 . A A . 12 THR CB 1 1 1 189 1 1 12 THR CG2 C 4.777 -0.638 -4.352 1.00 . A A . 12 THR CG2 1 1 1 190 1 1 12 THR H H 5.196 -3.935 -2.111 1.00 . A A . 12 THR H 1 1 1 191 1 1 12 THR HA H 3.621 -1.471 -2.135 1.00 . A A . 12 THR HA 1 1 1 192 1 1 12 THR HB H 3.073 -1.876 -4.650 1.00 . A A . 12 THR HB 1 1 1 193 1 1 12 THR HG1 H 4.181 -3.436 -5.532 1.00 . A A . 12 THR HG1 1 1 1 194 1 1 12 THR HG21 H 4.396 0.060 -3.622 1.00 . A A . 12 THR HG21 1 1 1 195 1 1 12 THR HG22 H 5.836 -0.782 -4.194 1.00 . A A . 12 THR HG22 1 1 1 196 1 1 12 THR HG23 H 4.612 -0.245 -5.345 1.00 . A A . 12 THR HG23 1 1 1 197 1 1 12 THR N N 5.079 -2.962 -2.036 1.00 . A A . 12 THR N 1 1 1 198 1 1 12 THR O O 2.707 -4.534 -2.977 1.00 . A A . 12 THR O 1 1 1 199 1 1 12 THR OG1 O 4.773 -2.993 -4.918 1.00 . A A . 12 THR OG1 1 1 1 200 1 1 13 ILE C C -0.842 -2.555 -1.084 1.00 . A A . 13 ILE C 1 1 1 201 1 1 13 ILE CA C 0.318 -3.558 -1.350 1.00 . A A . 13 ILE CA 1 1 1 202 1 1 13 ILE CB C 0.427 -4.595 -0.109 1.00 . A A . 13 ILE CB 1 1 1 203 1 1 13 ILE CD1 C 0.586 -4.075 2.470 1.00 . A A . 13 ILE CD1 1 1 1 204 1 1 13 ILE CG1 C 1.313 -4.100 1.127 1.00 . A A . 13 ILE CG1 1 1 1 205 1 1 13 ILE CG2 C 0.921 -5.961 -0.617 1.00 . A A . 13 ILE CG2 1 1 1 206 1 1 13 ILE H H 1.707 -1.918 -1.389 1.00 . A A . 13 ILE H 1 1 1 207 1 1 13 ILE HA H 0.031 -4.132 -2.223 1.00 . A A . 13 ILE HA 1 1 1 208 1 1 13 ILE HB H -0.586 -4.752 0.237 1.00 . A A . 13 ILE HB 1 1 1 209 1 1 13 ILE HD11 H 0.063 -5.011 2.605 1.00 . A A . 13 ILE HD11 1 1 1 210 1 1 13 ILE HD12 H 1.307 -3.948 3.265 1.00 . A A . 13 ILE HD12 1 1 1 211 1 1 13 ILE HD13 H -0.119 -3.259 2.484 1.00 . A A . 13 ILE HD13 1 1 1 212 1 1 13 ILE HG12 H 2.177 -4.738 1.242 1.00 . A A . 13 ILE HG12 1 1 1 213 1 1 13 ILE HG13 H 1.652 -3.094 0.924 1.00 . A A . 13 ILE HG13 1 1 1 214 1 1 13 ILE HG21 H 1.881 -5.842 -1.096 1.00 . A A . 13 ILE HG21 1 1 1 215 1 1 13 ILE HG22 H 1.015 -6.637 0.221 1.00 . A A . 13 ILE HG22 1 1 1 216 1 1 13 ILE HG23 H 0.211 -6.361 -1.326 1.00 . A A . 13 ILE HG23 1 1 1 217 1 1 13 ILE N N 1.606 -2.834 -1.735 1.00 . A A . 13 ILE N 1 1 1 218 1 1 13 ILE O O -0.597 -1.486 -0.451 1.00 . A A . 13 ILE O 1 1 1 219 1 1 14 THR C C -4.060 -2.388 -0.067 1.00 . A A . 14 THR C 1 1 1 220 1 1 14 THR CA C -3.369 -2.155 -1.441 1.00 . A A . 14 THR CA 1 1 1 221 1 1 14 THR CB C -4.426 -2.450 -2.576 1.00 . A A . 14 THR CB 1 1 1 222 1 1 14 THR CG2 C -4.099 -1.771 -3.892 1.00 . A A . 14 THR CG2 1 1 1 223 1 1 14 THR H H -2.149 -3.808 -2.044 1.00 . A A . 14 THR H 1 1 1 224 1 1 14 THR HA H -3.102 -1.109 -1.505 1.00 . A A . 14 THR HA 1 1 1 225 1 1 14 THR HB H -5.375 -2.051 -2.240 1.00 . A A . 14 THR HB 1 1 1 226 1 1 14 THR HG1 H -5.411 -4.155 -2.430 1.00 . A A . 14 THR HG1 1 1 1 227 1 1 14 THR HG21 H -3.550 -0.858 -3.707 1.00 . A A . 14 THR HG21 1 1 1 228 1 1 14 THR HG22 H -3.505 -2.433 -4.503 1.00 . A A . 14 THR HG22 1 1 1 229 1 1 14 THR HG23 H -5.023 -1.536 -4.405 1.00 . A A . 14 THR HG23 1 1 1 230 1 1 14 THR N N -2.090 -2.947 -1.575 1.00 . A A . 14 THR N 1 1 1 231 1 1 14 THR O O -4.073 -3.559 0.439 1.00 . A A . 14 THR O 1 1 1 232 1 1 14 THR OG1 O -4.572 -3.861 -2.792 1.00 . A A . 14 THR OG1 1 1 1 233 1 1 15 LEU C C -6.921 -0.999 1.385 1.00 . A A . 15 LEU C 1 1 1 234 1 1 15 LEU CA C -5.419 -1.212 1.749 1.00 . A A . 15 LEU CA 1 1 1 235 1 1 15 LEU CB C -4.830 -0.151 2.735 1.00 . A A . 15 LEU CB 1 1 1 236 1 1 15 LEU CD1 C -3.194 -0.537 4.674 1.00 . A A . 15 LEU CD1 1 1 1 237 1 1 15 LEU CD2 C -5.550 0.126 5.185 1.00 . A A . 15 LEU CD2 1 1 1 238 1 1 15 LEU CG C -4.648 -0.640 4.213 1.00 . A A . 15 LEU CG 1 1 1 239 1 1 15 LEU H H -4.595 -0.415 -0.029 1.00 . A A . 15 LEU H 1 1 1 240 1 1 15 LEU HA H -5.328 -2.196 2.197 1.00 . A A . 15 LEU HA 1 1 1 241 1 1 15 LEU HB2 H -3.871 0.162 2.338 1.00 . A A . 15 LEU HB2 1 1 1 242 1 1 15 LEU HB3 H -5.488 0.707 2.724 1.00 . A A . 15 LEU HB3 1 1 1 243 1 1 15 LEU HD11 H -2.871 0.492 4.615 1.00 . A A . 15 LEU HD11 1 1 1 244 1 1 15 LEU HD12 H -3.114 -0.882 5.693 1.00 . A A . 15 LEU HD12 1 1 1 245 1 1 15 LEU HD13 H -2.570 -1.148 4.038 1.00 . A A . 15 LEU HD13 1 1 1 246 1 1 15 LEU HD21 H -5.350 1.186 5.101 1.00 . A A . 15 LEU HD21 1 1 1 247 1 1 15 LEU HD22 H -6.584 -0.064 4.943 1.00 . A A . 15 LEU HD22 1 1 1 248 1 1 15 LEU HD23 H -5.350 -0.199 6.195 1.00 . A A . 15 LEU HD23 1 1 1 249 1 1 15 LEU HG H -4.925 -1.685 4.271 1.00 . A A . 15 LEU HG 1 1 1 250 1 1 15 LEU N N -4.655 -1.252 0.481 1.00 . A A . 15 LEU N 1 1 1 251 1 1 15 LEU O O -7.333 0.123 0.922 1.00 . A A . 15 LEU O 1 1 1 252 1 1 16 GLU C C -9.990 -2.850 2.362 1.00 . A A . 16 GLU C 1 1 1 253 1 1 16 GLU CA C -9.158 -2.256 1.190 1.00 . A A . 16 GLU CA 1 1 1 254 1 1 16 GLU CB C -9.339 -3.105 -0.094 1.00 . A A . 16 GLU CB 1 1 1 255 1 1 16 GLU CD C -9.924 -3.008 -2.585 1.00 . A A . 16 GLU CD 1 1 1 256 1 1 16 GLU CG C -9.275 -2.299 -1.399 1.00 . A A . 16 GLU CG 1 1 1 257 1 1 16 GLU H H -7.258 -2.969 1.836 1.00 . A A . 16 GLU H 1 1 1 258 1 1 16 GLU HA H -9.513 -1.254 0.995 1.00 . A A . 16 GLU HA 1 1 1 259 1 1 16 GLU HB2 H -8.559 -3.853 -0.127 1.00 . A A . 16 GLU HB2 1 1 1 260 1 1 16 GLU HB3 H -10.297 -3.602 -0.050 1.00 . A A . 16 GLU HB3 1 1 1 261 1 1 16 GLU HG2 H -9.781 -1.358 -1.247 1.00 . A A . 16 GLU HG2 1 1 1 262 1 1 16 GLU HG3 H -8.236 -2.109 -1.639 1.00 . A A . 16 GLU HG3 1 1 1 263 1 1 16 GLU N N -7.701 -2.146 1.527 1.00 . A A . 16 GLU N 1 1 1 264 1 1 16 GLU O O -9.489 -3.764 3.089 1.00 . A A . 16 GLU O 1 1 1 265 1 1 16 GLU OE1 O -9.213 -3.753 -3.298 1.00 . A A . 16 GLU OE1 1 1 1 266 1 1 16 GLU OE2 O -11.140 -2.806 -2.810 1.00 . A A . 16 GLU OE2 1 1 1 267 1 1 17 VAL C C -13.685 -2.931 2.965 1.00 . A A . 17 VAL C 1 1 1 268 1 1 17 VAL CA C -12.276 -2.696 3.572 1.00 . A A . 17 VAL CA 1 1 1 269 1 1 17 VAL CB C -12.358 -1.719 4.853 1.00 . A A . 17 VAL CB 1 1 1 270 1 1 17 VAL CG1 C -11.219 -2.013 5.823 1.00 . A A . 17 VAL CG1 1 1 1 271 1 1 17 VAL CG2 C -12.393 -0.183 4.561 1.00 . A A . 17 VAL CG2 1 1 1 272 1 1 17 VAL H H -11.534 -1.593 1.884 1.00 . A A . 17 VAL H 1 1 1 273 1 1 17 VAL HA H -11.943 -3.661 3.936 1.00 . A A . 17 VAL HA 1 1 1 274 1 1 17 VAL HB H -13.275 -1.969 5.371 1.00 . A A . 17 VAL HB 1 1 1 275 1 1 17 VAL HG11 H -11.201 -3.069 6.048 1.00 . A A . 17 VAL HG11 1 1 1 276 1 1 17 VAL HG12 H -10.280 -1.724 5.375 1.00 . A A . 17 VAL HG12 1 1 1 277 1 1 17 VAL HG13 H -11.369 -1.454 6.735 1.00 . A A . 17 VAL HG13 1 1 1 278 1 1 17 VAL HG21 H -13.089 0.015 3.758 1.00 . A A . 17 VAL HG21 1 1 1 279 1 1 17 VAL HG22 H -12.707 0.345 5.449 1.00 . A A . 17 VAL HG22 1 1 1 280 1 1 17 VAL HG23 H -11.408 0.152 4.274 1.00 . A A . 17 VAL HG23 1 1 1 281 1 1 17 VAL N N -11.263 -2.299 2.512 1.00 . A A . 17 VAL N 1 1 1 282 1 1 17 VAL O O -14.320 -3.939 3.340 1.00 . A A . 17 VAL O 1 1 1 283 1 1 17 VAL OXT O -14.136 -2.108 2.130 1.00 . A A . 17 VAL OXT 1 1 2 284 1 1 1 MET C C -11.697 1.220 -1.200 1.00 . A A . 1 MET C 1 1 2 285 1 1 1 MET CA C -13.130 1.732 -0.872 1.00 . A A . 1 MET CA 1 1 2 286 1 1 1 MET CB C -13.184 2.340 0.554 1.00 . A A . 1 MET CB 1 1 2 287 1 1 1 MET CE C -12.569 4.876 3.142 1.00 . A A . 1 MET CE 1 1 2 288 1 1 1 MET CG C -13.126 3.871 0.610 1.00 . A A . 1 MET CG 1 1 2 289 1 1 1 MET H1 H -14.146 0.229 -1.913 1.00 . A A . 1 MET H1 1 1 2 290 1 1 1 MET H2 H -13.942 -0.098 -0.266 1.00 . A A . 1 MET H2 1 1 2 291 1 1 1 MET H3 H -15.098 1.032 -0.766 1.00 . A A . 1 MET H3 1 1 2 292 1 1 1 MET HA H -13.393 2.494 -1.592 1.00 . A A . 1 MET HA 1 1 2 293 1 1 1 MET HB2 H -14.100 2.026 1.028 1.00 . A A . 1 MET HB2 1 1 2 294 1 1 1 MET HB3 H -12.349 1.956 1.126 1.00 . A A . 1 MET HB3 1 1 2 295 1 1 1 MET HE1 H -11.834 4.092 3.021 1.00 . A A . 1 MET HE1 1 1 2 296 1 1 1 MET HE2 H -12.127 5.826 2.886 1.00 . A A . 1 MET HE2 1 1 2 297 1 1 1 MET HE3 H -12.908 4.899 4.168 1.00 . A A . 1 MET HE3 1 1 2 298 1 1 1 MET HG2 H -12.088 4.175 0.637 1.00 . A A . 1 MET HG2 1 1 2 299 1 1 1 MET HG3 H -13.593 4.268 -0.279 1.00 . A A . 1 MET HG3 1 1 2 300 1 1 1 MET N N -14.151 0.647 -0.960 1.00 . A A . 1 MET N 1 1 2 301 1 1 1 MET O O -11.338 0.057 -0.824 1.00 . A A . 1 MET O 1 1 2 302 1 1 1 MET SD S -13.962 4.551 2.059 1.00 . A A . 1 MET SD 1 1 2 303 1 1 2 GLN C C -8.609 3.125 -1.865 1.00 . A A . 2 GLN C 1 1 2 304 1 1 2 GLN CA C -9.487 1.922 -2.305 1.00 . A A . 2 GLN CA 1 1 2 305 1 1 2 GLN CB C -9.370 1.657 -3.831 1.00 . A A . 2 GLN CB 1 1 2 306 1 1 2 GLN CD C -9.827 -0.027 -5.702 1.00 . A A . 2 GLN CD 1 1 2 307 1 1 2 GLN CG C -9.486 0.183 -4.224 1.00 . A A . 2 GLN CG 1 1 2 308 1 1 2 GLN H H -11.297 3.012 -2.109 1.00 . A A . 2 GLN H 1 1 2 309 1 1 2 GLN HA H -9.134 1.048 -1.771 1.00 . A A . 2 GLN HA 1 1 2 310 1 1 2 GLN HB2 H -10.146 2.203 -4.341 1.00 . A A . 2 GLN HB2 1 1 2 311 1 1 2 GLN HB3 H -8.408 2.016 -4.168 1.00 . A A . 2 GLN HB3 1 1 2 312 1 1 2 GLN HE21 H -7.885 -0.134 -6.211 1.00 . A A . 2 GLN HE21 1 1 2 313 1 1 2 GLN HE22 H -9.015 -0.305 -7.505 1.00 . A A . 2 GLN HE22 1 1 2 314 1 1 2 GLN HG2 H -8.542 -0.303 -4.020 1.00 . A A . 2 GLN HG2 1 1 2 315 1 1 2 GLN HG3 H -10.259 -0.273 -3.624 1.00 . A A . 2 GLN HG3 1 1 2 316 1 1 2 GLN N N -10.903 2.138 -1.890 1.00 . A A . 2 GLN N 1 1 2 317 1 1 2 GLN NE2 N -8.804 -0.170 -6.558 1.00 . A A . 2 GLN NE2 1 1 2 318 1 1 2 GLN O O -8.972 4.318 -2.137 1.00 . A A . 2 GLN O 1 1 2 319 1 1 2 GLN OE1 O -11.003 -0.077 -6.076 1.00 . A A . 2 GLN OE1 1 1 2 320 1 1 3 ILE C C -5.043 3.016 -0.589 1.00 . A A . 3 ILE C 1 1 2 321 1 1 3 ILE CA C -6.430 3.713 -0.591 1.00 . A A . 3 ILE CA 1 1 2 322 1 1 3 ILE CB C -6.776 4.388 0.842 1.00 . A A . 3 ILE CB 1 1 2 323 1 1 3 ILE CD1 C -6.631 3.204 3.177 1.00 . A A . 3 ILE CD1 1 1 2 324 1 1 3 ILE CG1 C -7.440 3.410 1.908 1.00 . A A . 3 ILE CG1 1 1 2 325 1 1 3 ILE CG2 C -7.663 5.624 0.620 1.00 . A A . 3 ILE CG2 1 1 2 326 1 1 3 ILE H H -7.311 1.808 -0.994 1.00 . A A . 3 ILE H 1 1 2 327 1 1 3 ILE HA H -6.354 4.519 -1.315 1.00 . A A . 3 ILE HA 1 1 2 328 1 1 3 ILE HB H -5.839 4.753 1.240 1.00 . A A . 3 ILE HB 1 1 2 329 1 1 3 ILE HD11 H -6.137 4.125 3.444 1.00 . A A . 3 ILE HD11 1 1 2 330 1 1 3 ILE HD12 H -7.293 2.904 3.975 1.00 . A A . 3 ILE HD12 1 1 2 331 1 1 3 ILE HD13 H -5.894 2.433 3.012 1.00 . A A . 3 ILE HD13 1 1 2 332 1 1 3 ILE HG21 H -7.268 6.208 -0.199 1.00 . A A . 3 ILE HG21 1 1 2 333 1 1 3 ILE HG22 H -8.669 5.309 0.384 1.00 . A A . 3 ILE HG22 1 1 2 334 1 1 3 ILE HG23 H -7.674 6.226 1.517 1.00 . A A . 3 ILE HG23 1 1 2 335 1 1 3 ILE N N -7.467 2.767 -1.155 1.00 . A A . 3 ILE N 1 1 2 336 1 1 3 ILE O O -4.904 1.904 0.002 1.00 . A A . 3 ILE O 1 1 2 337 1 1 4 PHE C C -1.674 3.717 -0.443 1.00 . A A . 4 PHE C 1 1 2 338 1 1 4 PHE CA C -2.656 3.218 -1.533 1.00 . A A . 4 PHE CA 1 1 2 339 1 1 4 PHE CB C -2.181 3.668 -2.957 1.00 . A A . 4 PHE CB 1 1 2 340 1 1 4 PHE CD1 C -3.661 2.445 -4.857 1.00 . A A . 4 PHE CD1 1 1 2 341 1 1 4 PHE CD2 C -1.106 1.870 -4.579 1.00 . A A . 4 PHE CD2 1 1 2 342 1 1 4 PHE CE1 C -3.754 1.482 -6.019 1.00 . A A . 4 PHE CE1 1 1 2 343 1 1 4 PHE CE2 C -1.206 0.900 -5.741 1.00 . A A . 4 PHE CE2 1 1 2 344 1 1 4 PHE CG C -2.325 2.657 -4.108 1.00 . A A . 4 PHE CG 1 1 2 345 1 1 4 PHE CZ C -2.527 0.709 -6.462 1.00 . A A . 4 PHE CZ 1 1 2 346 1 1 4 PHE H H -4.325 4.526 -1.761 1.00 . A A . 4 PHE H 1 1 2 347 1 1 4 PHE HA H -2.669 2.139 -1.505 1.00 . A A . 4 PHE HA 1 1 2 348 1 1 4 PHE HB2 H -2.744 4.540 -3.238 1.00 . A A . 4 PHE HB2 1 1 2 349 1 1 4 PHE HB3 H -1.138 3.938 -2.893 1.00 . A A . 4 PHE HB3 1 1 2 350 1 1 4 PHE HD1 H -4.539 2.987 -4.538 1.00 . A A . 4 PHE HD1 1 1 2 351 1 1 4 PHE HD2 H -0.164 2.001 -4.070 1.00 . A A . 4 PHE HD2 1 1 2 352 1 1 4 PHE HE1 H -4.697 1.338 -6.522 1.00 . A A . 4 PHE HE1 1 1 2 353 1 1 4 PHE HE2 H -0.335 0.347 -6.055 1.00 . A A . 4 PHE HE2 1 1 2 354 1 1 4 PHE HZ H -2.594 0.022 -7.292 1.00 . A A . 4 PHE HZ 1 1 2 355 1 1 4 PHE N N -4.066 3.684 -1.318 1.00 . A A . 4 PHE N 1 1 2 356 1 1 4 PHE O O -1.810 4.881 0.042 1.00 . A A . 4 PHE O 1 1 2 357 1 1 5 VAL C C 1.711 2.252 0.522 1.00 . A A . 5 VAL C 1 1 2 358 1 1 5 VAL CA C 0.407 3.002 0.937 1.00 . A A . 5 VAL CA 1 1 2 359 1 1 5 VAL CB C 0.013 2.664 2.469 1.00 . A A . 5 VAL CB 1 1 2 360 1 1 5 VAL CG1 C -0.775 3.816 3.079 1.00 . A A . 5 VAL CG1 1 1 2 361 1 1 5 VAL CG2 C -0.769 1.331 2.709 1.00 . A A . 5 VAL CG2 1 1 2 362 1 1 5 VAL H H -0.697 1.921 -0.548 1.00 . A A . 5 VAL H 1 1 2 363 1 1 5 VAL HA H 0.642 4.062 0.895 1.00 . A A . 5 VAL HA 1 1 2 364 1 1 5 VAL HB H 0.942 2.597 3.021 1.00 . A A . 5 VAL HB 1 1 2 365 1 1 5 VAL HG11 H -0.310 4.753 2.806 1.00 . A A . 5 VAL HG11 1 1 2 366 1 1 5 VAL HG12 H -1.789 3.795 2.708 1.00 . A A . 5 VAL HG12 1 1 2 367 1 1 5 VAL HG13 H -0.782 3.719 4.154 1.00 . A A . 5 VAL HG13 1 1 2 368 1 1 5 VAL HG21 H -0.280 0.527 2.178 1.00 . A A . 5 VAL HG21 1 1 2 369 1 1 5 VAL HG22 H -0.784 1.109 3.766 1.00 . A A . 5 VAL HG22 1 1 2 370 1 1 5 VAL HG23 H -1.780 1.437 2.349 1.00 . A A . 5 VAL HG23 1 1 2 371 1 1 5 VAL N N -0.690 2.792 -0.091 1.00 . A A . 5 VAL N 1 1 2 372 1 1 5 VAL O O 1.629 1.047 0.136 1.00 . A A . 5 VAL O 1 1 2 373 1 1 6 LYS C C 5.208 2.560 1.507 1.00 . A A . 6 LYS C 1 1 2 374 1 1 6 LYS CA C 4.254 2.523 0.273 1.00 . A A . 6 LYS CA 1 1 2 375 1 1 6 LYS CB C 4.826 3.354 -0.900 1.00 . A A . 6 LYS CB 1 1 2 376 1 1 6 LYS CD C 5.617 3.297 -3.319 1.00 . A A . 6 LYS CD 1 1 2 377 1 1 6 LYS CE C 6.669 2.699 -4.244 1.00 . A A . 6 LYS CE 1 1 2 378 1 1 6 LYS CG C 5.511 2.528 -2.001 1.00 . A A . 6 LYS CG 1 1 2 379 1 1 6 LYS H H 2.801 3.935 0.928 1.00 . A A . 6 LYS H 1 1 2 380 1 1 6 LYS HA H 4.155 1.490 -0.042 1.00 . A A . 6 LYS HA 1 1 2 381 1 1 6 LYS HB2 H 4.014 3.908 -1.349 1.00 . A A . 6 LYS HB2 1 1 2 382 1 1 6 LYS HB3 H 5.547 4.055 -0.507 1.00 . A A . 6 LYS HB3 1 1 2 383 1 1 6 LYS HD2 H 4.660 3.266 -3.818 1.00 . A A . 6 LYS HD2 1 1 2 384 1 1 6 LYS HD3 H 5.882 4.325 -3.107 1.00 . A A . 6 LYS HD3 1 1 2 385 1 1 6 LYS HE2 H 7.648 2.930 -3.852 1.00 . A A . 6 LYS HE2 1 1 2 386 1 1 6 LYS HE3 H 6.537 1.627 -4.272 1.00 . A A . 6 LYS HE3 1 1 2 387 1 1 6 LYS HG2 H 6.504 2.265 -1.666 1.00 . A A . 6 LYS HG2 1 1 2 388 1 1 6 LYS HG3 H 4.938 1.627 -2.166 1.00 . A A . 6 LYS HG3 1 1 2 389 1 1 6 LYS HZ1 H 6.582 4.278 -5.609 1.00 . A A . 6 LYS HZ1 1 1 2 390 1 1 6 LYS HZ2 H 7.358 2.898 -6.205 1.00 . A A . 6 LYS HZ2 1 1 2 391 1 1 6 LYS HZ3 H 5.673 2.926 -6.066 1.00 . A A . 6 LYS HZ3 1 1 2 392 1 1 6 LYS N N 2.878 3.007 0.615 1.00 . A A . 6 LYS N 1 1 2 393 1 1 6 LYS NZ N 6.562 3.238 -5.628 1.00 . A A . 6 LYS NZ 1 1 2 394 1 1 6 LYS O O 5.128 3.513 2.340 1.00 . A A . 6 LYS O 1 1 2 395 1 1 7 THR C C 8.460 2.011 2.381 1.00 . A A . 7 THR C 1 1 2 396 1 1 7 THR CA C 7.129 1.248 2.654 1.00 . A A . 7 THR CA 1 1 2 397 1 1 7 THR CB C 7.467 -0.276 2.839 1.00 . A A . 7 THR CB 1 1 2 398 1 1 7 THR CG2 C 6.401 -1.015 3.658 1.00 . A A . 7 THR CG2 1 1 2 399 1 1 7 THR H H 6.044 0.813 0.860 1.00 . A A . 7 THR H 1 1 2 400 1 1 7 THR HA H 6.717 1.611 3.584 1.00 . A A . 7 THR HA 1 1 2 401 1 1 7 THR HB H 8.401 -0.339 3.373 1.00 . A A . 7 THR HB 1 1 2 402 1 1 7 THR HG1 H 8.580 -1.003 1.384 1.00 . A A . 7 THR HG1 1 1 2 403 1 1 7 THR HG21 H 6.257 -0.511 4.602 1.00 . A A . 7 THR HG21 1 1 2 404 1 1 7 THR HG22 H 5.470 -1.028 3.110 1.00 . A A . 7 THR HG22 1 1 2 405 1 1 7 THR HG23 H 6.726 -2.030 3.838 1.00 . A A . 7 THR HG23 1 1 2 406 1 1 7 THR N N 6.091 1.488 1.574 1.00 . A A . 7 THR N 1 1 2 407 1 1 7 THR O O 9.120 2.449 3.361 1.00 . A A . 7 THR O 1 1 2 408 1 1 7 THR OG1 O 7.643 -0.917 1.571 1.00 . A A . 7 THR OG1 1 1 2 409 1 1 8 LEU C C 11.387 1.907 0.510 1.00 . A A . 8 LEU C 1 1 2 410 1 1 8 LEU CA C 10.105 2.822 0.422 1.00 . A A . 8 LEU CA 1 1 2 411 1 1 8 LEU CB C 10.394 4.286 0.972 1.00 . A A . 8 LEU CB 1 1 2 412 1 1 8 LEU CD1 C 8.734 6.144 1.577 1.00 . A A . 8 LEU CD1 1 1 2 413 1 1 8 LEU CD2 C 10.154 6.400 -0.466 1.00 . A A . 8 LEU CD2 1 1 2 414 1 1 8 LEU CG C 9.429 5.399 0.438 1.00 . A A . 8 LEU CG 1 1 2 415 1 1 8 LEU H H 8.235 1.747 0.361 1.00 . A A . 8 LEU H 1 1 2 416 1 1 8 LEU HA H 9.889 2.920 -0.636 1.00 . A A . 8 LEU HA 1 1 2 417 1 1 8 LEU HB2 H 10.333 4.245 2.054 1.00 . A A . 8 LEU HB2 1 1 2 418 1 1 8 LEU HB3 H 11.411 4.542 0.707 1.00 . A A . 8 LEU HB3 1 1 2 419 1 1 8 LEU HD11 H 8.353 5.433 2.294 1.00 . A A . 8 LEU HD11 1 1 2 420 1 1 8 LEU HD12 H 9.443 6.799 2.064 1.00 . A A . 8 LEU HD12 1 1 2 421 1 1 8 LEU HD13 H 7.919 6.730 1.180 1.00 . A A . 8 LEU HD13 1 1 2 422 1 1 8 LEU HD21 H 10.972 6.850 0.078 1.00 . A A . 8 LEU HD21 1 1 2 423 1 1 8 LEU HD22 H 10.539 5.887 -1.335 1.00 . A A . 8 LEU HD22 1 1 2 424 1 1 8 LEU HD23 H 9.464 7.169 -0.778 1.00 . A A . 8 LEU HD23 1 1 2 425 1 1 8 LEU HG H 8.653 4.930 -0.154 1.00 . A A . 8 LEU HG 1 1 2 426 1 1 8 LEU N N 8.843 2.149 1.016 1.00 . A A . 8 LEU N 1 1 2 427 1 1 8 LEU O O 12.361 2.140 -0.277 1.00 . A A . 8 LEU O 1 1 2 428 1 1 9 ASP C C 12.548 -1.224 0.510 1.00 . A A . 9 ASP C 1 1 2 429 1 1 9 ASP CA C 12.434 -0.180 1.665 1.00 . A A . 9 ASP CA 1 1 2 430 1 1 9 ASP CB C 12.231 -0.896 3.024 1.00 . A A . 9 ASP CB 1 1 2 431 1 1 9 ASP CG C 13.505 -0.974 3.859 1.00 . A A . 9 ASP CG 1 1 2 432 1 1 9 ASP H H 10.521 0.739 1.951 1.00 . A A . 9 ASP H 1 1 2 433 1 1 9 ASP HA H 13.366 0.365 1.708 1.00 . A A . 9 ASP HA 1 1 2 434 1 1 9 ASP HB2 H 11.487 -0.361 3.595 1.00 . A A . 9 ASP HB2 1 1 2 435 1 1 9 ASP HB3 H 11.881 -1.902 2.842 1.00 . A A . 9 ASP HB3 1 1 2 436 1 1 9 ASP N N 11.342 0.843 1.431 1.00 . A A . 9 ASP N 1 1 2 437 1 1 9 ASP O O 13.706 -1.583 0.162 1.00 . A A . 9 ASP O 1 1 2 438 1 1 9 ASP OD1 O 13.753 -0.044 4.661 1.00 . A A . 9 ASP OD1 1 1 2 439 1 1 9 ASP OD2 O 14.248 -1.973 3.722 1.00 . A A . 9 ASP OD2 1 1 2 440 1 1 10 GLY C C 9.972 -3.505 -1.175 1.00 . A A . 10 GLY C 1 1 2 441 1 1 10 GLY CA C 11.238 -2.639 -1.190 1.00 . A A . 10 GLY CA 1 1 2 442 1 1 10 GLY H H 10.504 -1.290 0.297 1.00 . A A . 10 GLY H 1 1 2 443 1 1 10 GLY HA2 H 12.101 -3.288 -1.156 1.00 . A A . 10 GLY HA2 1 1 2 444 1 1 10 GLY HA3 H 11.261 -2.090 -2.118 1.00 . A A . 10 GLY HA3 1 1 2 445 1 1 10 GLY N N 11.341 -1.663 -0.063 1.00 . A A . 10 GLY N 1 1 2 446 1 1 10 GLY O O 10.093 -4.723 -1.463 1.00 . A A . 10 GLY O 1 1 2 447 1 1 11 LYS C C 6.286 -2.516 -1.284 1.00 . A A . 11 LYS C 1 1 2 448 1 1 11 LYS CA C 7.395 -3.492 -0.790 1.00 . A A . 11 LYS CA 1 1 2 449 1 1 11 LYS CB C 7.048 -3.978 0.649 1.00 . A A . 11 LYS CB 1 1 2 450 1 1 11 LYS CD C 7.350 -5.662 2.471 1.00 . A A . 11 LYS CD 1 1 2 451 1 1 11 LYS CE C 8.047 -6.941 2.891 1.00 . A A . 11 LYS CE 1 1 2 452 1 1 11 LYS CG C 7.572 -5.359 0.998 1.00 . A A . 11 LYS CG 1 1 2 453 1 1 11 LYS H H 8.814 -1.893 -0.657 1.00 . A A . 11 LYS H 1 1 2 454 1 1 11 LYS HA H 7.410 -4.348 -1.451 1.00 . A A . 11 LYS HA 1 1 2 455 1 1 11 LYS HB2 H 7.461 -3.275 1.357 1.00 . A A . 11 LYS HB2 1 1 2 456 1 1 11 LYS HB3 H 5.973 -3.988 0.757 1.00 . A A . 11 LYS HB3 1 1 2 457 1 1 11 LYS HD2 H 7.740 -4.844 3.057 1.00 . A A . 11 LYS HD2 1 1 2 458 1 1 11 LYS HD3 H 6.290 -5.763 2.652 1.00 . A A . 11 LYS HD3 1 1 2 459 1 1 11 LYS HE2 H 7.736 -7.735 2.231 1.00 . A A . 11 LYS HE2 1 1 2 460 1 1 11 LYS HE3 H 9.112 -6.795 2.806 1.00 . A A . 11 LYS HE3 1 1 2 461 1 1 11 LYS HG2 H 7.050 -6.096 0.404 1.00 . A A . 11 LYS HG2 1 1 2 462 1 1 11 LYS HG3 H 8.630 -5.401 0.785 1.00 . A A . 11 LYS HG3 1 1 2 463 1 1 11 LYS HZ1 H 6.689 -7.429 4.401 1.00 . A A . 11 LYS HZ1 1 1 2 464 1 1 11 LYS HZ2 H 8.178 -8.220 4.537 1.00 . A A . 11 LYS HZ2 1 1 2 465 1 1 11 LYS HZ3 H 8.050 -6.585 4.949 1.00 . A A . 11 LYS HZ3 1 1 2 466 1 1 11 LYS N N 8.768 -2.853 -0.852 1.00 . A A . 11 LYS N 1 1 2 467 1 1 11 LYS NZ N 7.718 -7.319 4.293 1.00 . A A . 11 LYS NZ 1 1 2 468 1 1 11 LYS O O 6.359 -1.279 -0.995 1.00 . A A . 11 LYS O 1 1 2 469 1 1 12 THR C C 2.810 -3.347 -2.445 1.00 . A A . 12 THR C 1 1 2 470 1 1 12 THR CA C 4.049 -2.418 -2.581 1.00 . A A . 12 THR CA 1 1 2 471 1 1 12 THR CB C 4.227 -1.912 -4.071 1.00 . A A . 12 THR CB 1 1 2 472 1 1 12 THR CG2 C 5.019 -0.605 -4.136 1.00 . A A . 12 THR CG2 1 1 2 473 1 1 12 THR H H 5.307 -4.089 -2.161 1.00 . A A . 12 THR H 1 1 2 474 1 1 12 THR HA H 3.874 -1.545 -1.954 1.00 . A A . 12 THR HA 1 1 2 475 1 1 12 THR HB H 3.243 -1.727 -4.476 1.00 . A A . 12 THR HB 1 1 2 476 1 1 12 THR HG1 H 4.326 -3.103 -5.645 1.00 . A A . 12 THR HG1 1 1 2 477 1 1 12 THR HG21 H 4.668 0.067 -3.367 1.00 . A A . 12 THR HG21 1 1 2 478 1 1 12 THR HG22 H 6.067 -0.814 -3.982 1.00 . A A . 12 THR HG22 1 1 2 479 1 1 12 THR HG23 H 4.880 -0.148 -5.105 1.00 . A A . 12 THR HG23 1 1 2 480 1 1 12 THR N N 5.256 -3.119 -2.015 1.00 . A A . 12 THR N 1 1 2 481 1 1 12 THR O O 2.828 -4.512 -2.963 1.00 . A A . 12 THR O 1 1 2 482 1 1 12 THR OG1 O 4.873 -2.908 -4.880 1.00 . A A . 12 THR OG1 1 1 2 483 1 1 13 ILE C C -0.687 -2.481 -1.064 1.00 . A A . 13 ILE C 1 1 2 484 1 1 13 ILE CA C 0.445 -3.509 -1.349 1.00 . A A . 13 ILE CA 1 1 2 485 1 1 13 ILE CB C 0.495 -4.598 -0.150 1.00 . A A . 13 ILE CB 1 1 2 486 1 1 13 ILE CD1 C 0.668 -4.218 2.454 1.00 . A A . 13 ILE CD1 1 1 2 487 1 1 13 ILE CG1 C 1.392 -4.191 1.110 1.00 . A A . 13 ILE CG1 1 1 2 488 1 1 13 ILE CG2 C 0.931 -5.965 -0.710 1.00 . A A . 13 ILE CG2 1 1 2 489 1 1 13 ILE H H 1.890 -1.917 -1.305 1.00 . A A . 13 ILE H 1 1 2 490 1 1 13 ILE HA H 0.154 -4.037 -2.250 1.00 . A A . 13 ILE HA 1 1 2 491 1 1 13 ILE HB H -0.528 -4.722 0.183 1.00 . A A . 13 ILE HB 1 1 2 492 1 1 13 ILE HD11 H 0.098 -5.132 2.530 1.00 . A A . 13 ILE HD11 1 1 2 493 1 1 13 ILE HD12 H 1.394 -4.179 3.254 1.00 . A A . 13 ILE HD12 1 1 2 494 1 1 13 ILE HD13 H 0.003 -3.370 2.524 1.00 . A A . 13 ILE HD13 1 1 2 495 1 1 13 ILE HG12 H 2.240 -4.856 1.190 1.00 . A A . 13 ILE HG12 1 1 2 496 1 1 13 ILE HG13 H 1.757 -3.185 0.959 1.00 . A A . 13 ILE HG13 1 1 2 497 1 1 13 ILE HG21 H 1.895 -5.869 -1.187 1.00 . A A . 13 ILE HG21 1 1 2 498 1 1 13 ILE HG22 H 0.997 -6.676 0.100 1.00 . A A . 13 ILE HG22 1 1 2 499 1 1 13 ILE HG23 H 0.203 -6.308 -1.431 1.00 . A A . 13 ILE HG23 1 1 2 500 1 1 13 ILE N N 1.764 -2.815 -1.685 1.00 . A A . 13 ILE N 1 1 2 501 1 1 13 ILE O O -0.420 -1.446 -0.386 1.00 . A A . 13 ILE O 1 1 2 502 1 1 14 THR C C -3.908 -2.238 -0.095 1.00 . A A . 14 THR C 1 1 2 503 1 1 14 THR CA C -3.197 -1.990 -1.456 1.00 . A A . 14 THR CA 1 1 2 504 1 1 14 THR CB C -4.249 -2.236 -2.606 1.00 . A A . 14 THR CB 1 1 2 505 1 1 14 THR CG2 C -3.897 -1.527 -3.898 1.00 . A A . 14 THR CG2 1 1 2 506 1 1 14 THR H H -2.011 -3.655 -2.099 1.00 . A A . 14 THR H 1 1 2 507 1 1 14 THR HA H -2.904 -0.951 -1.495 1.00 . A A . 14 THR HA 1 1 2 508 1 1 14 THR HB H -5.196 -1.832 -2.268 1.00 . A A . 14 THR HB 1 1 2 509 1 1 14 THR HG1 H -5.212 -3.951 -2.422 1.00 . A A . 14 THR HG1 1 1 2 510 1 1 14 THR HG21 H -3.395 -0.597 -3.676 1.00 . A A . 14 THR HG21 1 1 2 511 1 1 14 THR HG22 H -3.254 -2.156 -4.492 1.00 . A A . 14 THR HG22 1 1 2 512 1 1 14 THR HG23 H -4.809 -1.321 -4.445 1.00 . A A . 14 THR HG23 1 1 2 513 1 1 14 THR N N -1.936 -2.814 -1.596 1.00 . A A . 14 THR N 1 1 2 514 1 1 14 THR O O -3.957 -3.420 0.382 1.00 . A A . 14 THR O 1 1 2 515 1 1 14 THR OG1 O -4.418 -3.639 -2.863 1.00 . A A . 14 THR OG1 1 1 2 516 1 1 15 LEU C C -6.752 -0.841 1.354 1.00 . A A . 15 LEU C 1 1 2 517 1 1 15 LEU CA C -5.259 -1.076 1.733 1.00 . A A . 15 LEU CA 1 1 2 518 1 1 15 LEU CB C -4.672 -0.046 2.749 1.00 . A A . 15 LEU CB 1 1 2 519 1 1 15 LEU CD1 C -3.160 -0.622 4.742 1.00 . A A . 15 LEU CD1 1 1 2 520 1 1 15 LEU CD2 C -5.427 0.335 5.173 1.00 . A A . 15 LEU CD2 1 1 2 521 1 1 15 LEU CG C -4.599 -0.545 4.234 1.00 . A A . 15 LEU CG 1 1 2 522 1 1 15 LEU H H -4.395 -0.252 -0.014 1.00 . A A . 15 LEU H 1 1 2 523 1 1 15 LEU HA H -5.184 -2.070 2.162 1.00 . A A . 15 LEU HA 1 1 2 524 1 1 15 LEU HB2 H -3.676 0.218 2.409 1.00 . A A . 15 LEU HB2 1 1 2 525 1 1 15 LEU HB3 H -5.284 0.844 2.704 1.00 . A A . 15 LEU HB3 1 1 2 526 1 1 15 LEU HD11 H -2.683 0.340 4.624 1.00 . A A . 15 LEU HD11 1 1 2 527 1 1 15 LEU HD12 H -3.160 -0.898 5.787 1.00 . A A . 15 LEU HD12 1 1 2 528 1 1 15 LEU HD13 H -2.617 -1.364 4.174 1.00 . A A . 15 LEU HD13 1 1 2 529 1 1 15 LEU HD21 H -6.449 0.370 4.825 1.00 . A A . 15 LEU HD21 1 1 2 530 1 1 15 LEU HD22 H -5.400 -0.077 6.170 1.00 . A A . 15 LEU HD22 1 1 2 531 1 1 15 LEU HD23 H -5.016 1.334 5.185 1.00 . A A . 15 LEU HD23 1 1 2 532 1 1 15 LEU HG H -5.007 -1.546 4.286 1.00 . A A . 15 LEU HG 1 1 2 533 1 1 15 LEU N N -4.481 -1.102 0.474 1.00 . A A . 15 LEU N 1 1 2 534 1 1 15 LEU O O -7.141 0.288 0.891 1.00 . A A . 15 LEU O 1 1 2 535 1 1 16 GLU C C -9.867 -2.585 2.295 1.00 . A A . 16 GLU C 1 1 2 536 1 1 16 GLU CA C -8.995 -2.069 1.116 1.00 . A A . 16 GLU CA 1 1 2 537 1 1 16 GLU CB C -9.162 -2.974 -0.130 1.00 . A A . 16 GLU CB 1 1 2 538 1 1 16 GLU CD C -9.580 -3.049 -2.655 1.00 . A A . 16 GLU CD 1 1 2 539 1 1 16 GLU CG C -9.061 -2.235 -1.473 1.00 . A A . 16 GLU CG 1 1 2 540 1 1 16 GLU H H -7.118 -2.809 1.783 1.00 . A A . 16 GLU H 1 1 2 541 1 1 16 GLU HA H -9.323 -1.070 0.863 1.00 . A A . 16 GLU HA 1 1 2 542 1 1 16 GLU HB2 H -8.391 -3.730 -0.111 1.00 . A A . 16 GLU HB2 1 1 2 543 1 1 16 GLU HB3 H -10.126 -3.457 -0.082 1.00 . A A . 16 GLU HB3 1 1 2 544 1 1 16 GLU HG2 H -9.638 -1.324 -1.410 1.00 . A A . 16 GLU HG2 1 1 2 545 1 1 16 GLU HG3 H -8.024 -1.986 -1.656 1.00 . A A . 16 GLU HG3 1 1 2 546 1 1 16 GLU N N -7.547 -1.979 1.476 1.00 . A A . 16 GLU N 1 1 2 547 1 1 16 GLU O O -9.407 -3.475 3.076 1.00 . A A . 16 GLU O 1 1 2 548 1 1 16 GLU OE1 O -10.788 -2.945 -2.970 1.00 . A A . 16 GLU OE1 1 1 2 549 1 1 16 GLU OE2 O -8.773 -3.778 -3.279 1.00 . A A . 16 GLU OE2 1 1 2 550 1 1 17 VAL C C -13.461 -2.909 2.812 1.00 . A A . 17 VAL C 1 1 2 551 1 1 17 VAL CA C -12.175 -2.307 3.440 1.00 . A A . 17 VAL CA 1 1 2 552 1 1 17 VAL CB C -12.538 -1.096 4.442 1.00 . A A . 17 VAL CB 1 1 2 553 1 1 17 VAL CG1 C -11.477 -0.965 5.530 1.00 . A A . 17 VAL CG1 1 1 2 554 1 1 17 VAL CG2 C -12.772 0.306 3.789 1.00 . A A . 17 VAL CG2 1 1 2 555 1 1 17 VAL H H -11.365 -1.311 1.720 1.00 . A A . 17 VAL H 1 1 2 556 1 1 17 VAL HA H -11.742 -3.096 4.046 1.00 . A A . 17 VAL HA 1 1 2 557 1 1 17 VAL HB H -13.457 -1.376 4.941 1.00 . A A . 17 VAL HB 1 1 2 558 1 1 17 VAL HG11 H -11.240 -1.943 5.920 1.00 . A A . 17 VAL HG11 1 1 2 559 1 1 17 VAL HG12 H -10.586 -0.519 5.112 1.00 . A A . 17 VAL HG12 1 1 2 560 1 1 17 VAL HG13 H -11.852 -0.340 6.326 1.00 . A A . 17 VAL HG13 1 1 2 561 1 1 17 VAL HG21 H -13.423 0.200 2.933 1.00 . A A . 17 VAL HG21 1 1 2 562 1 1 17 VAL HG22 H -13.230 0.968 4.511 1.00 . A A . 17 VAL HG22 1 1 2 563 1 1 17 VAL HG23 H -11.826 0.719 3.472 1.00 . A A . 17 VAL HG23 1 1 2 564 1 1 17 VAL N N -11.127 -1.993 2.388 1.00 . A A . 17 VAL N 1 1 2 565 1 1 17 VAL O O -13.940 -2.382 1.777 1.00 . A A . 17 VAL O 1 1 2 566 1 1 17 VAL OXT O -13.971 -3.904 3.370 1.00 . A A . 17 VAL OXT 1 1 3 567 1 1 1 MET C C -11.482 1.615 -0.840 1.00 . A A . 1 MET C 1 1 3 568 1 1 1 MET CA C -12.884 2.245 -0.598 1.00 . A A . 1 MET CA 1 1 3 569 1 1 1 MET CB C -12.903 3.061 0.722 1.00 . A A . 1 MET CB 1 1 3 570 1 1 1 MET CE C -15.063 5.975 1.278 1.00 . A A . 1 MET CE 1 1 3 571 1 1 1 MET CG C -12.763 4.578 0.548 1.00 . A A . 1 MET CG 1 1 3 572 1 1 1 MET H1 H -14.000 0.675 -1.416 1.00 . A A . 1 MET H1 1 1 3 573 1 1 1 MET H2 H -13.775 0.555 0.255 1.00 . A A . 1 MET H2 1 1 3 574 1 1 1 MET H3 H -14.883 1.670 -0.372 1.00 . A A . 1 MET H3 1 1 3 575 1 1 1 MET HA H -13.111 2.903 -1.424 1.00 . A A . 1 MET HA 1 1 3 576 1 1 1 MET HB2 H -13.838 2.875 1.228 1.00 . A A . 1 MET HB2 1 1 3 577 1 1 1 MET HB3 H -12.090 2.720 1.350 1.00 . A A . 1 MET HB3 1 1 3 578 1 1 1 MET HE1 H -15.537 5.103 0.849 1.00 . A A . 1 MET HE1 1 1 3 579 1 1 1 MET HE2 H -15.678 6.364 2.075 1.00 . A A . 1 MET HE2 1 1 3 580 1 1 1 MET HE3 H -14.937 6.729 0.516 1.00 . A A . 1 MET HE3 1 1 3 581 1 1 1 MET HG2 H -11.712 4.819 0.466 1.00 . A A . 1 MET HG2 1 1 3 582 1 1 1 MET HG3 H -13.271 4.871 -0.358 1.00 . A A . 1 MET HG3 1 1 3 583 1 1 1 MET N N -13.961 1.213 -0.528 1.00 . A A . 1 MET N 1 1 3 584 1 1 1 MET O O -11.179 0.509 -0.286 1.00 . A A . 1 MET O 1 1 3 585 1 1 1 MET SD S -13.458 5.509 1.932 1.00 . A A . 1 MET SD 1 1 3 586 1 1 2 GLN C C -8.309 3.230 -1.780 1.00 . A A . 2 GLN C 1 1 3 587 1 1 2 GLN CA C -9.249 2.022 -2.037 1.00 . A A . 2 GLN CA 1 1 3 588 1 1 2 GLN CB C -9.149 1.521 -3.508 1.00 . A A . 2 GLN CB 1 1 3 589 1 1 2 GLN CD C -9.110 -0.503 -5.071 1.00 . A A . 2 GLN CD 1 1 3 590 1 1 2 GLN CG C -8.853 0.029 -3.659 1.00 . A A . 2 GLN CG 1 1 3 591 1 1 2 GLN H H -10.999 3.219 -2.019 1.00 . A A . 2 GLN H 1 1 3 592 1 1 2 GLN HA H -8.942 1.226 -1.372 1.00 . A A . 2 GLN HA 1 1 3 593 1 1 2 GLN HB2 H -10.080 1.730 -4.009 1.00 . A A . 2 GLN HB2 1 1 3 594 1 1 2 GLN HB3 H -8.357 2.067 -3.999 1.00 . A A . 2 GLN HB3 1 1 3 595 1 1 2 GLN HE21 H -7.210 -0.151 -5.629 1.00 . A A . 2 GLN HE21 1 1 3 596 1 1 2 GLN HE22 H -8.239 -0.833 -6.838 1.00 . A A . 2 GLN HE22 1 1 3 597 1 1 2 GLN HG2 H -7.813 -0.144 -3.416 1.00 . A A . 2 GLN HG2 1 1 3 598 1 1 2 GLN HG3 H -9.476 -0.519 -2.967 1.00 . A A . 2 GLN HG3 1 1 3 599 1 1 2 GLN N N -10.648 2.373 -1.664 1.00 . A A . 2 GLN N 1 1 3 600 1 1 2 GLN NE2 N -8.081 -0.494 -5.933 1.00 . A A . 2 GLN NE2 1 1 3 601 1 1 2 GLN O O -8.606 4.383 -2.239 1.00 . A A . 2 GLN O 1 1 3 602 1 1 2 GLN OE1 O -10.223 -0.933 -5.390 1.00 . A A . 2 GLN OE1 1 1 3 603 1 1 3 ILE C C -4.753 3.141 -0.499 1.00 . A A . 3 ILE C 1 1 3 604 1 1 3 ILE CA C -6.108 3.892 -0.593 1.00 . A A . 3 ILE CA 1 1 3 605 1 1 3 ILE CB C -6.415 4.788 0.724 1.00 . A A . 3 ILE CB 1 1 3 606 1 1 3 ILE CD1 C -6.311 4.073 3.256 1.00 . A A . 3 ILE CD1 1 1 3 607 1 1 3 ILE CG1 C -7.078 3.998 1.940 1.00 . A A . 3 ILE CG1 1 1 3 608 1 1 3 ILE CG2 C -7.285 5.995 0.318 1.00 . A A . 3 ILE CG2 1 1 3 609 1 1 3 ILE H H -7.087 1.998 -0.701 1.00 . A A . 3 ILE H 1 1 3 610 1 1 3 ILE HA H -6.003 4.580 -1.428 1.00 . A A . 3 ILE HA 1 1 3 611 1 1 3 ILE HB H -5.464 5.191 1.047 1.00 . A A . 3 ILE HB 1 1 3 612 1 1 3 ILE HD11 H -5.801 5.022 3.320 1.00 . A A . 3 ILE HD11 1 1 3 613 1 1 3 ILE HD12 H -7.007 3.980 4.077 1.00 . A A . 3 ILE HD12 1 1 3 614 1 1 3 ILE HD13 H -5.591 3.270 3.299 1.00 . A A . 3 ILE HD13 1 1 3 615 1 1 3 ILE HG21 H -6.860 6.467 -0.556 1.00 . A A . 3 ILE HG21 1 1 3 616 1 1 3 ILE HG22 H -8.287 5.658 0.095 1.00 . A A . 3 ILE HG22 1 1 3 617 1 1 3 ILE HG23 H -7.317 6.706 1.130 1.00 . A A . 3 ILE HG23 1 1 3 618 1 1 3 ILE N N -7.190 2.925 -1.011 1.00 . A A . 3 ILE N 1 1 3 619 1 1 3 ILE O O -4.645 2.138 0.269 1.00 . A A . 3 ILE O 1 1 3 620 1 1 4 PHE C C -1.395 3.618 -0.439 1.00 . A A . 4 PHE C 1 1 3 621 1 1 4 PHE CA C -2.382 3.080 -1.506 1.00 . A A . 4 PHE CA 1 1 3 622 1 1 4 PHE CB C -1.863 3.390 -2.950 1.00 . A A . 4 PHE CB 1 1 3 623 1 1 4 PHE CD1 C -3.361 2.090 -4.787 1.00 . A A . 4 PHE CD1 1 1 3 624 1 1 4 PHE CD2 C -0.838 1.437 -4.416 1.00 . A A . 4 PHE CD2 1 1 3 625 1 1 4 PHE CE1 C -3.469 1.057 -5.885 1.00 . A A . 4 PHE CE1 1 1 3 626 1 1 4 PHE CE2 C -0.954 0.395 -5.513 1.00 . A A . 4 PHE CE2 1 1 3 627 1 1 4 PHE CG C -2.032 2.301 -4.024 1.00 . A A . 4 PHE CG 1 1 3 628 1 1 4 PHE CZ C -2.267 0.208 -6.251 1.00 . A A . 4 PHE CZ 1 1 3 629 1 1 4 PHE H H -4.006 4.403 -1.918 1.00 . A A . 4 PHE H 1 1 3 630 1 1 4 PHE HA H -2.451 2.009 -1.392 1.00 . A A . 4 PHE HA 1 1 3 631 1 1 4 PHE HB2 H -2.376 4.265 -3.311 1.00 . A A . 4 PHE HB2 1 1 3 632 1 1 4 PHE HB3 H -0.808 3.617 -2.885 1.00 . A A . 4 PHE HB3 1 1 3 633 1 1 4 PHE HD1 H -4.225 2.683 -4.522 1.00 . A A . 4 PHE HD1 1 1 3 634 1 1 4 PHE HD2 H 0.097 1.561 -3.891 1.00 . A A . 4 PHE HD2 1 1 3 635 1 1 4 PHE HE1 H -4.406 0.918 -6.400 1.00 . A A . 4 PHE HE1 1 1 3 636 1 1 4 PHE HE2 H -0.100 -0.210 -5.772 1.00 . A A . 4 PHE HE2 1 1 3 637 1 1 4 PHE HZ H -2.345 -0.529 -7.036 1.00 . A A . 4 PHE HZ 1 1 3 638 1 1 4 PHE N N -3.769 3.635 -1.347 1.00 . A A . 4 PHE N 1 1 3 639 1 1 4 PHE O O -1.477 4.826 -0.054 1.00 . A A . 4 PHE O 1 1 3 640 1 1 5 VAL C C 1.928 2.191 0.630 1.00 . A A . 5 VAL C 1 1 3 641 1 1 5 VAL CA C 0.615 2.923 1.036 1.00 . A A . 5 VAL CA 1 1 3 642 1 1 5 VAL CB C 0.211 2.603 2.568 1.00 . A A . 5 VAL CB 1 1 3 643 1 1 5 VAL CG1 C -0.584 3.761 3.160 1.00 . A A . 5 VAL CG1 1 1 3 644 1 1 5 VAL CG2 C -0.566 1.272 2.822 1.00 . A A . 5 VAL CG2 1 1 3 645 1 1 5 VAL H H -0.513 1.775 -0.374 1.00 . A A . 5 VAL H 1 1 3 646 1 1 5 VAL HA H 0.831 3.986 0.978 1.00 . A A . 5 VAL HA 1 1 3 647 1 1 5 VAL HB H 1.137 2.546 3.127 1.00 . A A . 5 VAL HB 1 1 3 648 1 1 5 VAL HG11 H 0.005 4.664 3.111 1.00 . A A . 5 VAL HG11 1 1 3 649 1 1 5 VAL HG12 H -1.496 3.895 2.598 1.00 . A A . 5 VAL HG12 1 1 3 650 1 1 5 VAL HG13 H -0.825 3.543 4.190 1.00 . A A . 5 VAL HG13 1 1 3 651 1 1 5 VAL HG21 H -0.092 0.470 2.274 1.00 . A A . 5 VAL HG21 1 1 3 652 1 1 5 VAL HG22 H -0.555 1.045 3.878 1.00 . A A . 5 VAL HG22 1 1 3 653 1 1 5 VAL HG23 H -1.586 1.382 2.488 1.00 . A A . 5 VAL HG23 1 1 3 654 1 1 5 VAL N N -0.469 2.680 0.009 1.00 . A A . 5 VAL N 1 1 3 655 1 1 5 VAL O O 1.875 0.965 0.305 1.00 . A A . 5 VAL O 1 1 3 656 1 1 6 LYS C C 5.487 2.804 1.400 1.00 . A A . 6 LYS C 1 1 3 657 1 1 6 LYS CA C 4.448 2.530 0.275 1.00 . A A . 6 LYS CA 1 1 3 658 1 1 6 LYS CB C 4.884 3.196 -1.056 1.00 . A A . 6 LYS CB 1 1 3 659 1 1 6 LYS CD C 5.438 2.803 -3.508 1.00 . A A . 6 LYS CD 1 1 3 660 1 1 6 LYS CE C 6.363 2.050 -4.468 1.00 . A A . 6 LYS CE 1 1 3 661 1 1 6 LYS CG C 5.465 2.224 -2.089 1.00 . A A . 6 LYS CG 1 1 3 662 1 1 6 LYS H H 2.972 3.932 0.899 1.00 . A A . 6 LYS H 1 1 3 663 1 1 6 LYS HA H 4.391 1.459 0.128 1.00 . A A . 6 LYS HA 1 1 3 664 1 1 6 LYS HB2 H 4.023 3.682 -1.492 1.00 . A A . 6 LYS HB2 1 1 3 665 1 1 6 LYS HB3 H 5.633 3.943 -0.838 1.00 . A A . 6 LYS HB3 1 1 3 666 1 1 6 LYS HD2 H 4.429 2.744 -3.886 1.00 . A A . 6 LYS HD2 1 1 3 667 1 1 6 LYS HD3 H 5.746 3.839 -3.467 1.00 . A A . 6 LYS HD3 1 1 3 668 1 1 6 LYS HE2 H 6.426 1.012 -4.169 1.00 . A A . 6 LYS HE2 1 1 3 669 1 1 6 LYS HE3 H 5.942 2.107 -5.462 1.00 . A A . 6 LYS HE3 1 1 3 670 1 1 6 LYS HG2 H 6.487 2.004 -1.824 1.00 . A A . 6 LYS HG2 1 1 3 671 1 1 6 LYS HG3 H 4.885 1.312 -2.073 1.00 . A A . 6 LYS HG3 1 1 3 672 1 1 6 LYS HZ1 H 7.689 3.655 -4.663 1.00 . A A . 6 LYS HZ1 1 1 3 673 1 1 6 LYS HZ2 H 8.214 2.460 -3.587 1.00 . A A . 6 LYS HZ2 1 1 3 674 1 1 6 LYS HZ3 H 8.295 2.192 -5.254 1.00 . A A . 6 LYS HZ3 1 1 3 675 1 1 6 LYS N N 3.071 2.988 0.641 1.00 . A A . 6 LYS N 1 1 3 676 1 1 6 LYS NZ N 7.737 2.629 -4.495 1.00 . A A . 6 LYS NZ 1 1 3 677 1 1 6 LYS O O 5.414 3.868 2.086 1.00 . A A . 6 LYS O 1 1 3 678 1 1 7 THR C C 8.890 2.422 1.968 1.00 . A A . 7 THR C 1 1 3 679 1 1 7 THR CA C 7.583 1.782 2.543 1.00 . A A . 7 THR CA 1 1 3 680 1 1 7 THR CB C 7.915 0.325 3.038 1.00 . A A . 7 THR CB 1 1 3 681 1 1 7 THR CG2 C 6.981 -0.129 4.164 1.00 . A A . 7 THR CG2 1 1 3 682 1 1 7 THR H H 6.382 1.027 0.941 1.00 . A A . 7 THR H 1 1 3 683 1 1 7 THR HA H 7.273 2.364 3.399 1.00 . A A . 7 THR HA 1 1 3 684 1 1 7 THR HB H 8.921 0.342 3.426 1.00 . A A . 7 THR HB 1 1 3 685 1 1 7 THR HG1 H 8.765 -0.855 1.698 1.00 . A A . 7 THR HG1 1 1 3 686 1 1 7 THR HG21 H 6.961 0.623 4.940 1.00 . A A . 7 THR HG21 1 1 3 687 1 1 7 THR HG22 H 5.984 -0.266 3.771 1.00 . A A . 7 THR HG22 1 1 3 688 1 1 7 THR HG23 H 7.338 -1.062 4.574 1.00 . A A . 7 THR HG23 1 1 3 689 1 1 7 THR N N 6.442 1.802 1.544 1.00 . A A . 7 THR N 1 1 3 690 1 1 7 THR O O 9.689 2.994 2.760 1.00 . A A . 7 THR O 1 1 3 691 1 1 7 THR OG1 O 7.870 -0.626 1.961 1.00 . A A . 7 THR OG1 1 1 3 692 1 1 8 LEU C C 11.638 2.135 0.134 1.00 . A A . 8 LEU C 1 1 3 693 1 1 8 LEU CA C 10.238 2.776 -0.298 1.00 . A A . 8 LEU CA 1 1 3 694 1 1 8 LEU CB C 10.208 4.363 -0.573 1.00 . A A . 8 LEU CB 1 1 3 695 1 1 8 LEU CD1 C 11.392 6.461 0.332 1.00 . A A . 8 LEU CD1 1 1 3 696 1 1 8 LEU CD2 C 9.062 5.959 1.097 1.00 . A A . 8 LEU CD2 1 1 3 697 1 1 8 LEU CG C 10.395 5.346 0.646 1.00 . A A . 8 LEU CG 1 1 3 698 1 1 8 LEU H H 8.374 1.805 0.089 1.00 . A A . 8 LEU H 1 1 3 699 1 1 8 LEU HA H 10.031 2.310 -1.260 1.00 . A A . 8 LEU HA 1 1 3 700 1 1 8 LEU HB2 H 10.986 4.566 -1.296 1.00 . A A . 8 LEU HB2 1 1 3 701 1 1 8 LEU HB3 H 9.261 4.585 -1.052 1.00 . A A . 8 LEU HB3 1 1 3 702 1 1 8 LEU HD11 H 12.283 6.034 -0.104 1.00 . A A . 8 LEU HD11 1 1 3 703 1 1 8 LEU HD12 H 10.947 7.155 -0.366 1.00 . A A . 8 LEU HD12 1 1 3 704 1 1 8 LEU HD13 H 11.649 6.980 1.243 1.00 . A A . 8 LEU HD13 1 1 3 705 1 1 8 LEU HD21 H 8.372 5.169 1.355 1.00 . A A . 8 LEU HD21 1 1 3 706 1 1 8 LEU HD22 H 9.229 6.589 1.958 1.00 . A A . 8 LEU HD22 1 1 3 707 1 1 8 LEU HD23 H 8.648 6.549 0.293 1.00 . A A . 8 LEU HD23 1 1 3 708 1 1 8 LEU HG H 10.793 4.783 1.479 1.00 . A A . 8 LEU HG 1 1 3 709 1 1 8 LEU N N 9.079 2.289 0.569 1.00 . A A . 8 LEU N 1 1 3 710 1 1 8 LEU O O 12.668 2.840 0.408 1.00 . A A . 8 LEU O 1 1 3 711 1 1 9 ASP C C 12.705 -1.448 -0.448 1.00 . A A . 9 ASP C 1 1 3 712 1 1 9 ASP CA C 12.726 -0.204 0.493 1.00 . A A . 9 ASP CA 1 1 3 713 1 1 9 ASP CB C 12.685 -0.640 1.989 1.00 . A A . 9 ASP CB 1 1 3 714 1 1 9 ASP CG C 14.034 -0.517 2.686 1.00 . A A . 9 ASP CG 1 1 3 715 1 1 9 ASP H H 10.745 0.304 -0.082 1.00 . A A . 9 ASP H 1 1 3 716 1 1 9 ASP HA H 13.647 0.334 0.315 1.00 . A A . 9 ASP HA 1 1 3 717 1 1 9 ASP HB2 H 11.975 -0.020 2.515 1.00 . A A . 9 ASP HB2 1 1 3 718 1 1 9 ASP HB3 H 12.365 -1.670 2.045 1.00 . A A . 9 ASP HB3 1 1 3 719 1 1 9 ASP N N 11.596 0.733 0.158 1.00 . A A . 9 ASP N 1 1 3 720 1 1 9 ASP O O 13.802 -1.849 -0.917 1.00 . A A . 9 ASP O 1 1 3 721 1 1 9 ASP OD1 O 14.316 0.561 3.258 1.00 . A A . 9 ASP OD1 1 1 3 722 1 1 9 ASP OD2 O 14.806 -1.503 2.671 1.00 . A A . 9 ASP OD2 1 1 3 723 1 1 10 GLY C C 9.856 -3.914 -1.234 1.00 . A A . 10 GLY C 1 1 3 724 1 1 10 GLY CA C 11.165 -3.187 -1.581 1.00 . A A . 10 GLY CA 1 1 3 725 1 1 10 GLY H H 10.662 -1.589 -0.272 1.00 . A A . 10 GLY H 1 1 3 726 1 1 10 GLY HA2 H 11.985 -3.885 -1.489 1.00 . A A . 10 GLY HA2 1 1 3 727 1 1 10 GLY HA3 H 11.111 -2.851 -2.605 1.00 . A A . 10 GLY HA3 1 1 3 728 1 1 10 GLY N N 11.438 -2.011 -0.704 1.00 . A A . 10 GLY N 1 1 3 729 1 1 10 GLY O O 9.844 -5.168 -1.304 1.00 . A A . 10 GLY O 1 1 3 730 1 1 11 LYS C C 6.269 -2.596 -0.914 1.00 . A A . 11 LYS C 1 1 3 731 1 1 11 LYS CA C 7.390 -3.573 -0.445 1.00 . A A . 11 LYS CA 1 1 3 732 1 1 11 LYS CB C 7.296 -3.752 1.103 1.00 . A A . 11 LYS CB 1 1 3 733 1 1 11 LYS CD C 8.685 -4.942 2.942 1.00 . A A . 11 LYS CD 1 1 3 734 1 1 11 LYS CE C 8.058 -5.639 4.155 1.00 . A A . 11 LYS CE 1 1 3 735 1 1 11 LYS CG C 7.851 -5.094 1.638 1.00 . A A . 11 LYS CG 1 1 3 736 1 1 11 LYS H H 8.922 -2.128 -0.827 1.00 . A A . 11 LYS H 1 1 3 737 1 1 11 LYS HA H 7.227 -4.532 -0.916 1.00 . A A . 11 LYS HA 1 1 3 738 1 1 11 LYS HB2 H 7.836 -2.941 1.570 1.00 . A A . 11 LYS HB2 1 1 3 739 1 1 11 LYS HB3 H 6.256 -3.682 1.392 1.00 . A A . 11 LYS HB3 1 1 3 740 1 1 11 LYS HD2 H 9.659 -5.375 2.774 1.00 . A A . 11 LYS HD2 1 1 3 741 1 1 11 LYS HD3 H 8.806 -3.890 3.172 1.00 . A A . 11 LYS HD3 1 1 3 742 1 1 11 LYS HE2 H 7.539 -6.522 3.820 1.00 . A A . 11 LYS HE2 1 1 3 743 1 1 11 LYS HE3 H 8.847 -5.920 4.833 1.00 . A A . 11 LYS HE3 1 1 3 744 1 1 11 LYS HG2 H 7.018 -5.757 1.821 1.00 . A A . 11 LYS HG2 1 1 3 745 1 1 11 LYS HG3 H 8.485 -5.535 0.877 1.00 . A A . 11 LYS HG3 1 1 3 746 1 1 11 LYS HZ1 H 7.569 -3.878 5.172 1.00 . A A . 11 LYS HZ1 1 1 3 747 1 1 11 LYS HZ2 H 6.300 -4.510 4.247 1.00 . A A . 11 LYS HZ2 1 1 3 748 1 1 11 LYS HZ3 H 6.722 -5.240 5.713 1.00 . A A . 11 LYS HZ3 1 1 3 749 1 1 11 LYS N N 8.770 -3.098 -0.848 1.00 . A A . 11 LYS N 1 1 3 750 1 1 11 LYS NZ N 7.094 -4.755 4.872 1.00 . A A . 11 LYS NZ 1 1 3 751 1 1 11 LYS O O 6.487 -1.343 -0.915 1.00 . A A . 11 LYS O 1 1 3 752 1 1 12 THR C C 2.567 -3.237 -1.158 1.00 . A A . 12 THR C 1 1 3 753 1 1 12 THR CA C 3.812 -2.509 -1.736 1.00 . A A . 12 THR CA 1 1 3 754 1 1 12 THR CB C 3.689 -2.343 -3.301 1.00 . A A . 12 THR CB 1 1 3 755 1 1 12 THR CG2 C 4.525 -1.167 -3.814 1.00 . A A . 12 THR CG2 1 1 3 756 1 1 12 THR H H 5.020 -4.193 -1.219 1.00 . A A . 12 THR H 1 1 3 757 1 1 12 THR HA H 3.838 -1.518 -1.299 1.00 . A A . 12 THR HA 1 1 3 758 1 1 12 THR HB H 2.653 -2.140 -3.530 1.00 . A A . 12 THR HB 1 1 3 759 1 1 12 THR HG1 H 4.982 -3.773 -3.746 1.00 . A A . 12 THR HG1 1 1 3 760 1 1 12 THR HG21 H 4.459 -0.345 -3.114 1.00 . A A . 12 THR HG21 1 1 3 761 1 1 12 THR HG22 H 5.556 -1.474 -3.910 1.00 . A A . 12 THR HG22 1 1 3 762 1 1 12 THR HG23 H 4.152 -0.852 -4.776 1.00 . A A . 12 THR HG23 1 1 3 763 1 1 12 THR N N 5.065 -3.213 -1.282 1.00 . A A . 12 THR N 1 1 3 764 1 1 12 THR O O 2.441 -4.498 -1.311 1.00 . A A . 12 THR O 1 1 3 765 1 1 12 THR OG1 O 4.079 -3.547 -3.983 1.00 . A A . 12 THR OG1 1 1 3 766 1 1 13 ILE C C -0.766 -1.851 -0.009 1.00 . A A . 13 ILE C 1 1 3 767 1 1 13 ILE CA C 0.426 -2.865 0.251 1.00 . A A . 13 ILE CA 1 1 3 768 1 1 13 ILE CB C 0.729 -3.232 1.824 1.00 . A A . 13 ILE CB 1 1 3 769 1 1 13 ILE CD1 C 0.050 -5.517 2.913 1.00 . A A . 13 ILE CD1 1 1 3 770 1 1 13 ILE CG1 C -0.404 -4.128 2.477 1.00 . A A . 13 ILE CG1 1 1 3 771 1 1 13 ILE CG2 C 1.105 -2.025 2.754 1.00 . A A . 13 ILE CG2 1 1 3 772 1 1 13 ILE H H 1.913 -1.460 -0.367 1.00 . A A . 13 ILE H 1 1 3 773 1 1 13 ILE HA H 0.146 -3.793 -0.237 1.00 . A A . 13 ILE HA 1 1 3 774 1 1 13 ILE HB H 1.629 -3.834 1.790 1.00 . A A . 13 ILE HB 1 1 3 775 1 1 13 ILE HD11 H 0.909 -5.422 3.560 1.00 . A A . 13 ILE HD11 1 1 3 776 1 1 13 ILE HD12 H -0.751 -6.007 3.445 1.00 . A A . 13 ILE HD12 1 1 3 777 1 1 13 ILE HD13 H 0.316 -6.098 2.043 1.00 . A A . 13 ILE HD13 1 1 3 778 1 1 13 ILE HG12 H -0.801 -3.631 3.351 1.00 . A A . 13 ILE HG12 1 1 3 779 1 1 13 ILE HG13 H -1.203 -4.256 1.761 1.00 . A A . 13 ILE HG13 1 1 3 780 1 1 13 ILE HG21 H 1.979 -1.526 2.361 1.00 . A A . 13 ILE HG21 1 1 3 781 1 1 13 ILE HG22 H 0.278 -1.331 2.797 1.00 . A A . 13 ILE HG22 1 1 3 782 1 1 13 ILE HG23 H 1.318 -2.396 3.746 1.00 . A A . 13 ILE HG23 1 1 3 783 1 1 13 ILE N N 1.686 -2.413 -0.446 1.00 . A A . 13 ILE N 1 1 3 784 1 1 13 ILE O O -0.553 -0.615 0.117 1.00 . A A . 13 ILE O 1 1 3 785 1 1 14 THR C C -4.316 -1.955 0.504 1.00 . A A . 14 THR C 1 1 3 786 1 1 14 THR CA C -3.275 -1.734 -0.629 1.00 . A A . 14 THR CA 1 1 3 787 1 1 14 THR CB C -3.948 -2.163 -1.991 1.00 . A A . 14 THR CB 1 1 3 788 1 1 14 THR CG2 C -3.337 -1.467 -3.187 1.00 . A A . 14 THR CG2 1 1 3 789 1 1 14 THR H H -1.997 -3.430 -0.398 1.00 . A A . 14 THR H 1 1 3 790 1 1 14 THR HA H -3.056 -0.678 -0.684 1.00 . A A . 14 THR HA 1 1 3 791 1 1 14 THR HB H -4.990 -1.865 -1.943 1.00 . A A . 14 THR HB 1 1 3 792 1 1 14 THR HG1 H -2.976 -3.877 -2.154 1.00 . A A . 14 THR HG1 1 1 3 793 1 1 14 THR HG21 H -3.025 -0.470 -2.910 1.00 . A A . 14 THR HG21 1 1 3 794 1 1 14 THR HG22 H -2.486 -2.029 -3.537 1.00 . A A . 14 THR HG22 1 1 3 795 1 1 14 THR HG23 H -4.079 -1.404 -3.972 1.00 . A A . 14 THR HG23 1 1 3 796 1 1 14 THR N N -1.976 -2.451 -0.346 1.00 . A A . 14 THR N 1 1 3 797 1 1 14 THR O O -4.373 -3.084 1.093 1.00 . A A . 14 THR O 1 1 3 798 1 1 14 THR OG1 O -3.891 -3.586 -2.181 1.00 . A A . 14 THR OG1 1 1 3 799 1 1 15 LEU C C -7.593 -1.035 0.939 1.00 . A A . 15 LEU C 1 1 3 800 1 1 15 LEU CA C -6.263 -0.845 1.732 1.00 . A A . 15 LEU CA 1 1 3 801 1 1 15 LEU CB C -6.210 0.437 2.620 1.00 . A A . 15 LEU CB 1 1 3 802 1 1 15 LEU CD1 C -4.374 1.097 4.286 1.00 . A A . 15 LEU CD1 1 1 3 803 1 1 15 LEU CD2 C -6.649 0.517 5.147 1.00 . A A . 15 LEU CD2 1 1 3 804 1 1 15 LEU CG C -5.614 0.233 4.055 1.00 . A A . 15 LEU CG 1 1 3 805 1 1 15 LEU H H -5.034 -0.056 0.194 1.00 . A A . 15 LEU H 1 1 3 806 1 1 15 LEU HA H -6.132 -1.717 2.363 1.00 . A A . 15 LEU HA 1 1 3 807 1 1 15 LEU HB2 H -5.622 1.177 2.088 1.00 . A A . 15 LEU HB2 1 1 3 808 1 1 15 LEU HB3 H -7.219 0.817 2.706 1.00 . A A . 15 LEU HB3 1 1 3 809 1 1 15 LEU HD11 H -4.625 2.135 4.128 1.00 . A A . 15 LEU HD11 1 1 3 810 1 1 15 LEU HD12 H -4.025 0.961 5.300 1.00 . A A . 15 LEU HD12 1 1 3 811 1 1 15 LEU HD13 H -3.598 0.804 3.595 1.00 . A A . 15 LEU HD13 1 1 3 812 1 1 15 LEU HD21 H -7.031 1.520 5.028 1.00 . A A . 15 LEU HD21 1 1 3 813 1 1 15 LEU HD22 H -7.462 -0.189 5.065 1.00 . A A . 15 LEU HD22 1 1 3 814 1 1 15 LEU HD23 H -6.184 0.421 6.118 1.00 . A A . 15 LEU HD23 1 1 3 815 1 1 15 LEU HG H -5.307 -0.799 4.162 1.00 . A A . 15 LEU HG 1 1 3 816 1 1 15 LEU N N -5.157 -0.863 0.747 1.00 . A A . 15 LEU N 1 1 3 817 1 1 15 LEU O O -8.043 -0.106 0.180 1.00 . A A . 15 LEU O 1 1 3 818 1 1 16 GLU C C -10.439 -3.355 1.354 1.00 . A A . 16 GLU C 1 1 3 819 1 1 16 GLU CA C -9.378 -2.793 0.368 1.00 . A A . 16 GLU CA 1 1 3 820 1 1 16 GLU CB C -8.984 -3.858 -0.685 1.00 . A A . 16 GLU CB 1 1 3 821 1 1 16 GLU CD C -8.460 -4.362 -3.140 1.00 . A A . 16 GLU CD 1 1 3 822 1 1 16 GLU CG C -8.648 -3.288 -2.071 1.00 . A A . 16 GLU CG 1 1 3 823 1 1 16 GLU H H -7.675 -2.960 1.633 1.00 . A A . 16 GLU H 1 1 3 824 1 1 16 GLU HA H -9.809 -1.943 -0.143 1.00 . A A . 16 GLU HA 1 1 3 825 1 1 16 GLU HB2 H -8.116 -4.390 -0.328 1.00 . A A . 16 GLU HB2 1 1 3 826 1 1 16 GLU HB3 H -9.800 -4.555 -0.796 1.00 . A A . 16 GLU HB3 1 1 3 827 1 1 16 GLU HG2 H -9.450 -2.636 -2.381 1.00 . A A . 16 GLU HG2 1 1 3 828 1 1 16 GLU HG3 H -7.733 -2.712 -1.997 1.00 . A A . 16 GLU HG3 1 1 3 829 1 1 16 GLU N N -8.147 -2.306 1.070 1.00 . A A . 16 GLU N 1 1 3 830 1 1 16 GLU O O -10.062 -4.006 2.380 1.00 . A A . 16 GLU O 1 1 3 831 1 1 16 GLU OE1 O -7.310 -4.829 -3.324 1.00 . A A . 16 GLU OE1 1 1 3 832 1 1 16 GLU OE2 O -9.457 -4.724 -3.806 1.00 . A A . 16 GLU OE2 1 1 3 833 1 1 17 VAL C C -13.524 -4.869 1.212 1.00 . A A . 17 VAL C 1 1 3 834 1 1 17 VAL CA C -12.975 -3.498 1.771 1.00 . A A . 17 VAL CA 1 1 3 835 1 1 17 VAL CB C -14.037 -2.263 1.876 1.00 . A A . 17 VAL CB 1 1 3 836 1 1 17 VAL CG1 C -14.799 -1.873 0.574 1.00 . A A . 17 VAL CG1 1 1 3 837 1 1 17 VAL CG2 C -15.032 -2.429 3.044 1.00 . A A . 17 VAL CG2 1 1 3 838 1 1 17 VAL H H -11.919 -2.561 0.181 1.00 . A A . 17 VAL H 1 1 3 839 1 1 17 VAL HA H -12.626 -3.698 2.779 1.00 . A A . 17 VAL HA 1 1 3 840 1 1 17 VAL HB H -13.439 -1.398 2.123 1.00 . A A . 17 VAL HB 1 1 3 841 1 1 17 VAL HG11 H -14.085 -1.647 -0.206 1.00 . A A . 17 VAL HG11 1 1 3 842 1 1 17 VAL HG12 H -15.424 -2.697 0.263 1.00 . A A . 17 VAL HG12 1 1 3 843 1 1 17 VAL HG13 H -15.413 -1.006 0.761 1.00 . A A . 17 VAL HG13 1 1 3 844 1 1 17 VAL HG21 H -14.515 -2.831 3.903 1.00 . A A . 17 VAL HG21 1 1 3 845 1 1 17 VAL HG22 H -15.454 -1.469 3.297 1.00 . A A . 17 VAL HG22 1 1 3 846 1 1 17 VAL HG23 H -15.822 -3.105 2.750 1.00 . A A . 17 VAL HG23 1 1 3 847 1 1 17 VAL N N -11.761 -3.078 1.003 1.00 . A A . 17 VAL N 1 1 3 848 1 1 17 VAL O O -13.681 -5.812 2.014 1.00 . A A . 17 VAL O 1 1 3 849 1 1 17 VAL OXT O -13.781 -4.954 -0.010 1.00 . A A . 17 VAL OXT 1 1 4 850 1 1 1 MET C C -11.605 1.005 -1.025 1.00 . A A . 1 MET C 1 1 4 851 1 1 1 MET CA C -13.052 1.529 -0.785 1.00 . A A . 1 MET CA 1 1 4 852 1 1 1 MET CB C -13.129 2.335 0.541 1.00 . A A . 1 MET CB 1 1 4 853 1 1 1 MET CE C -15.029 5.157 1.925 1.00 . A A . 1 MET CE 1 1 4 854 1 1 1 MET CG C -13.110 3.860 0.378 1.00 . A A . 1 MET CG 1 1 4 855 1 1 1 MET H1 H -14.039 -0.121 -1.610 1.00 . A A . 1 MET H1 1 1 4 856 1 1 1 MET H2 H -13.829 -0.217 0.066 1.00 . A A . 1 MET H2 1 1 4 857 1 1 1 MET H3 H -15.006 0.811 -0.580 1.00 . A A . 1 MET H3 1 1 4 858 1 1 1 MET HA H -13.322 2.175 -1.608 1.00 . A A . 1 MET HA 1 1 4 859 1 1 1 MET HB2 H -14.041 2.070 1.054 1.00 . A A . 1 MET HB2 1 1 4 860 1 1 1 MET HB3 H -12.288 2.056 1.162 1.00 . A A . 1 MET HB3 1 1 4 861 1 1 1 MET HE1 H -14.751 4.377 2.620 1.00 . A A . 1 MET HE1 1 1 4 862 1 1 1 MET HE2 H -14.421 6.032 2.104 1.00 . A A . 1 MET HE2 1 1 4 863 1 1 1 MET HE3 H -16.070 5.407 2.062 1.00 . A A . 1 MET HE3 1 1 4 864 1 1 1 MET HG2 H -12.614 4.291 1.235 1.00 . A A . 1 MET HG2 1 1 4 865 1 1 1 MET HG3 H -12.554 4.107 -0.516 1.00 . A A . 1 MET HG3 1 1 4 866 1 1 1 MET N N -14.052 0.422 -0.723 1.00 . A A . 1 MET N 1 1 4 867 1 1 1 MET O O -11.228 -0.083 -0.481 1.00 . A A . 1 MET O 1 1 4 868 1 1 1 MET SD S -14.765 4.576 0.249 1.00 . A A . 1 MET SD 1 1 4 869 1 1 2 GLN C C -8.546 2.857 -1.879 1.00 . A A . 2 GLN C 1 1 4 870 1 1 2 GLN CA C -9.396 1.589 -2.193 1.00 . A A . 2 GLN CA 1 1 4 871 1 1 2 GLN CB C -9.254 1.127 -3.678 1.00 . A A . 2 GLN CB 1 1 4 872 1 1 2 GLN CD C -7.796 -0.124 -5.390 1.00 . A A . 2 GLN CD 1 1 4 873 1 1 2 GLN CG C -8.168 0.060 -3.916 1.00 . A A . 2 GLN CG 1 1 4 874 1 1 2 GLN H H -11.229 2.657 -2.176 1.00 . A A . 2 GLN H 1 1 4 875 1 1 2 GLN HA H -9.045 0.793 -1.548 1.00 . A A . 2 GLN HA 1 1 4 876 1 1 2 GLN HB2 H -10.197 0.718 -4.003 1.00 . A A . 2 GLN HB2 1 1 4 877 1 1 2 GLN HB3 H -9.017 1.986 -4.285 1.00 . A A . 2 GLN HB3 1 1 4 878 1 1 2 GLN HE21 H -9.029 -1.697 -5.571 1.00 . A A . 2 GLN HE21 1 1 4 879 1 1 2 GLN HE22 H -8.152 -1.256 -6.990 1.00 . A A . 2 GLN HE22 1 1 4 880 1 1 2 GLN HG2 H -7.278 0.350 -3.376 1.00 . A A . 2 GLN HG2 1 1 4 881 1 1 2 GLN HG3 H -8.524 -0.885 -3.530 1.00 . A A . 2 GLN HG3 1 1 4 882 1 1 2 GLN N N -10.821 1.832 -1.829 1.00 . A A . 2 GLN N 1 1 4 883 1 1 2 GLN NE2 N -8.388 -1.127 -6.049 1.00 . A A . 2 GLN NE2 1 1 4 884 1 1 2 GLN O O -8.923 4.002 -2.291 1.00 . A A . 2 GLN O 1 1 4 885 1 1 2 GLN OE1 O -6.967 0.615 -5.934 1.00 . A A . 2 GLN OE1 1 1 4 886 1 1 3 ILE C C -4.989 2.939 -0.632 1.00 . A A . 3 ILE C 1 1 4 887 1 1 3 ILE CA C -6.392 3.605 -0.654 1.00 . A A . 3 ILE CA 1 1 4 888 1 1 3 ILE CB C -6.738 4.367 0.735 1.00 . A A . 3 ILE CB 1 1 4 889 1 1 3 ILE CD1 C -6.542 3.381 3.163 1.00 . A A . 3 ILE CD1 1 1 4 890 1 1 3 ILE CG1 C -7.353 3.444 1.879 1.00 . A A . 3 ILE CG1 1 1 4 891 1 1 3 ILE CG2 C -7.667 5.557 0.441 1.00 . A A . 3 ILE CG2 1 1 4 892 1 1 3 ILE H H -7.243 1.663 -0.862 1.00 . A A . 3 ILE H 1 1 4 893 1 1 3 ILE HA H -6.352 4.360 -1.435 1.00 . A A . 3 ILE HA 1 1 4 894 1 1 3 ILE HB H -5.806 4.787 1.090 1.00 . A A . 3 ILE HB 1 1 4 895 1 1 3 ILE HD11 H -6.023 4.317 3.306 1.00 . A A . 3 ILE HD11 1 1 4 896 1 1 3 ILE HD12 H -7.209 3.208 3.995 1.00 . A A . 3 ILE HD12 1 1 4 897 1 1 3 ILE HD13 H -5.827 2.576 3.099 1.00 . A A . 3 ILE HD13 1 1 4 898 1 1 3 ILE HG21 H -8.574 5.199 -0.027 1.00 . A A . 3 ILE HG21 1 1 4 899 1 1 3 ILE HG22 H -7.914 6.058 1.365 1.00 . A A . 3 ILE HG22 1 1 4 900 1 1 3 ILE HG23 H -7.169 6.247 -0.223 1.00 . A A . 3 ILE HG23 1 1 4 901 1 1 3 ILE N N -7.410 2.595 -1.124 1.00 . A A . 3 ILE N 1 1 4 902 1 1 3 ILE O O -4.810 1.885 0.047 1.00 . A A . 3 ILE O 1 1 4 903 1 1 4 PHE C C -1.642 3.675 -0.615 1.00 . A A . 4 PHE C 1 1 4 904 1 1 4 PHE CA C -2.636 3.097 -1.655 1.00 . A A . 4 PHE CA 1 1 4 905 1 1 4 PHE CB C -2.190 3.458 -3.113 1.00 . A A . 4 PHE CB 1 1 4 906 1 1 4 PHE CD1 C -3.628 2.077 -4.928 1.00 . A A . 4 PHE CD1 1 1 4 907 1 1 4 PHE CD2 C -1.068 1.560 -4.590 1.00 . A A . 4 PHE CD2 1 1 4 908 1 1 4 PHE CE1 C -3.699 1.026 -6.012 1.00 . A A . 4 PHE CE1 1 1 4 909 1 1 4 PHE CE2 C -1.141 0.514 -5.684 1.00 . A A . 4 PHE CE2 1 1 4 910 1 1 4 PHE CG C -2.303 2.363 -4.186 1.00 . A A . 4 PHE CG 1 1 4 911 1 1 4 PHE CZ C -2.455 0.245 -6.393 1.00 . A A . 4 PHE CZ 1 1 4 912 1 1 4 PHE H H -4.336 4.353 -1.950 1.00 . A A . 4 PHE H 1 1 4 913 1 1 4 PHE HA H -2.634 2.022 -1.558 1.00 . A A . 4 PHE HA 1 1 4 914 1 1 4 PHE HB2 H -2.790 4.285 -3.450 1.00 . A A . 4 PHE HB2 1 1 4 915 1 1 4 PHE HB3 H -1.159 3.774 -3.080 1.00 . A A . 4 PHE HB3 1 1 4 916 1 1 4 PHE HD1 H -4.518 2.625 -4.655 1.00 . A A . 4 PHE HD1 1 1 4 917 1 1 4 PHE HD2 H -0.132 1.742 -4.083 1.00 . A A . 4 PHE HD2 1 1 4 918 1 1 4 PHE HE1 H -4.636 0.829 -6.511 1.00 . A A . 4 PHE HE1 1 1 4 919 1 1 4 PHE HE2 H -0.259 -0.044 -5.956 1.00 . A A . 4 PHE HE2 1 1 4 920 1 1 4 PHE HZ H -2.505 -0.501 -7.172 1.00 . A A . 4 PHE HZ 1 1 4 921 1 1 4 PHE N N -4.047 3.559 -1.443 1.00 . A A . 4 PHE N 1 1 4 922 1 1 4 PHE O O -1.782 4.866 -0.203 1.00 . A A . 4 PHE O 1 1 4 923 1 1 5 VAL C C 1.784 2.343 0.345 1.00 . A A . 5 VAL C 1 1 4 924 1 1 5 VAL CA C 0.470 3.069 0.767 1.00 . A A . 5 VAL CA 1 1 4 925 1 1 5 VAL CB C 0.120 2.781 2.319 1.00 . A A . 5 VAL CB 1 1 4 926 1 1 5 VAL CG1 C -0.688 3.934 2.902 1.00 . A A . 5 VAL CG1 1 1 4 927 1 1 5 VAL CG2 C -0.614 1.437 2.631 1.00 . A A . 5 VAL CG2 1 1 4 928 1 1 5 VAL H H -0.647 1.886 -0.626 1.00 . A A . 5 VAL H 1 1 4 929 1 1 5 VAL HA H 0.670 4.132 0.677 1.00 . A A . 5 VAL HA 1 1 4 930 1 1 5 VAL HB H 1.064 2.766 2.852 1.00 . A A . 5 VAL HB 1 1 4 931 1 1 5 VAL HG11 H -0.252 4.872 2.595 1.00 . A A . 5 VAL HG11 1 1 4 932 1 1 5 VAL HG12 H -1.707 3.876 2.545 1.00 . A A . 5 VAL HG12 1 1 4 933 1 1 5 VAL HG13 H -0.681 3.869 3.981 1.00 . A A . 5 VAL HG13 1 1 4 934 1 1 5 VAL HG21 H -0.009 0.610 2.292 1.00 . A A . 5 VAL HG21 1 1 4 935 1 1 5 VAL HG22 H -0.773 1.353 3.697 1.00 . A A . 5 VAL HG22 1 1 4 936 1 1 5 VAL HG23 H -1.566 1.420 2.122 1.00 . A A . 5 VAL HG23 1 1 4 937 1 1 5 VAL N N -0.642 2.784 -0.223 1.00 . A A . 5 VAL N 1 1 4 938 1 1 5 VAL O O 1.731 1.117 0.019 1.00 . A A . 5 VAL O 1 1 4 939 1 1 6 LYS C C 5.318 2.815 1.154 1.00 . A A . 6 LYS C 1 1 4 940 1 1 6 LYS CA C 4.303 2.686 -0.025 1.00 . A A . 6 LYS CA 1 1 4 941 1 1 6 LYS CB C 4.788 3.472 -1.270 1.00 . A A . 6 LYS CB 1 1 4 942 1 1 6 LYS CD C 5.686 3.369 -3.659 1.00 . A A . 6 LYS CD 1 1 4 943 1 1 6 LYS CE C 6.962 2.965 -4.390 1.00 . A A . 6 LYS CE 1 1 4 944 1 1 6 LYS CG C 5.521 2.626 -2.324 1.00 . A A . 6 LYS CG 1 1 4 945 1 1 6 LYS H H 2.828 4.081 0.616 1.00 . A A . 6 LYS H 1 1 4 946 1 1 6 LYS HA H 4.227 1.638 -0.283 1.00 . A A . 6 LYS HA 1 1 4 947 1 1 6 LYS HB2 H 3.931 3.925 -1.745 1.00 . A A . 6 LYS HB2 1 1 4 948 1 1 6 LYS HB3 H 5.457 4.255 -0.944 1.00 . A A . 6 LYS HB3 1 1 4 949 1 1 6 LYS HD2 H 4.841 3.135 -4.289 1.00 . A A . 6 LYS HD2 1 1 4 950 1 1 6 LYS HD3 H 5.714 4.437 -3.478 1.00 . A A . 6 LYS HD3 1 1 4 951 1 1 6 LYS HE2 H 7.813 3.321 -3.823 1.00 . A A . 6 LYS HE2 1 1 4 952 1 1 6 LYS HE3 H 7.000 1.888 -4.454 1.00 . A A . 6 LYS HE3 1 1 4 953 1 1 6 LYS HG2 H 6.495 2.367 -1.934 1.00 . A A . 6 LYS HG2 1 1 4 954 1 1 6 LYS HG3 H 4.954 1.722 -2.496 1.00 . A A . 6 LYS HG3 1 1 4 955 1 1 6 LYS HZ1 H 6.171 3.272 -6.299 1.00 . A A . 6 LYS HZ1 1 1 4 956 1 1 6 LYS HZ2 H 7.081 4.574 -5.716 1.00 . A A . 6 LYS HZ2 1 1 4 957 1 1 6 LYS HZ3 H 7.860 3.176 -6.264 1.00 . A A . 6 LYS HZ3 1 1 4 958 1 1 6 LYS N N 2.926 3.139 0.352 1.00 . A A . 6 LYS N 1 1 4 959 1 1 6 LYS NZ N 7.023 3.536 -5.763 1.00 . A A . 6 LYS NZ 1 1 4 960 1 1 6 LYS O O 5.232 3.792 1.957 1.00 . A A . 6 LYS O 1 1 4 961 1 1 7 THR C C 8.779 1.890 1.548 1.00 . A A . 7 THR C 1 1 4 962 1 1 7 THR CA C 7.386 1.662 2.207 1.00 . A A . 7 THR CA 1 1 4 963 1 1 7 THR CB C 7.384 0.270 2.942 1.00 . A A . 7 THR CB 1 1 4 964 1 1 7 THR CG2 C 6.369 0.222 4.086 1.00 . A A . 7 THR CG2 1 1 4 965 1 1 7 THR H H 6.227 1.104 0.503 1.00 . A A . 7 THR H 1 1 4 966 1 1 7 THR HA H 7.240 2.432 2.952 1.00 . A A . 7 THR HA 1 1 4 967 1 1 7 THR HB H 8.368 0.120 3.363 1.00 . A A . 7 THR HB 1 1 4 968 1 1 7 THR HG1 H 7.877 -0.915 1.445 1.00 . A A . 7 THR HG1 1 1 4 969 1 1 7 THR HG21 H 5.475 0.755 3.798 1.00 . A A . 7 THR HG21 1 1 4 970 1 1 7 THR HG22 H 6.119 -0.808 4.301 1.00 . A A . 7 THR HG22 1 1 4 971 1 1 7 THR HG23 H 6.795 0.681 4.966 1.00 . A A . 7 THR HG23 1 1 4 972 1 1 7 THR N N 6.271 1.799 1.197 1.00 . A A . 7 THR N 1 1 4 973 1 1 7 THR O O 8.980 1.501 0.359 1.00 . A A . 7 THR O 1 1 4 974 1 1 7 THR OG1 O 7.123 -0.799 2.028 1.00 . A A . 7 THR OG1 1 1 4 975 1 1 8 LEU C C 12.092 1.632 1.713 1.00 . A A . 8 LEU C 1 1 4 976 1 1 8 LEU CA C 11.157 2.883 1.973 1.00 . A A . 8 LEU CA 1 1 4 977 1 1 8 LEU CB C 11.768 3.826 3.061 1.00 . A A . 8 LEU CB 1 1 4 978 1 1 8 LEU CD1 C 11.368 6.373 3.068 1.00 . A A . 8 LEU CD1 1 1 4 979 1 1 8 LEU CD2 C 13.711 5.498 2.927 1.00 . A A . 8 LEU CD2 1 1 4 980 1 1 8 LEU CG C 12.253 5.231 2.550 1.00 . A A . 8 LEU CG 1 1 4 981 1 1 8 LEU H H 9.436 2.780 3.270 1.00 . A A . 8 LEU H 1 1 4 982 1 1 8 LEU HA H 11.094 3.435 1.046 1.00 . A A . 8 LEU HA 1 1 4 983 1 1 8 LEU HB2 H 11.018 3.966 3.830 1.00 . A A . 8 LEU HB2 1 1 4 984 1 1 8 LEU HB3 H 12.605 3.305 3.505 1.00 . A A . 8 LEU HB3 1 1 4 985 1 1 8 LEU HD11 H 11.294 6.313 4.142 1.00 . A A . 8 LEU HD11 1 1 4 986 1 1 8 LEU HD12 H 11.803 7.321 2.789 1.00 . A A . 8 LEU HD12 1 1 4 987 1 1 8 LEU HD13 H 10.383 6.288 2.632 1.00 . A A . 8 LEU HD13 1 1 4 988 1 1 8 LEU HD21 H 13.831 5.395 3.996 1.00 . A A . 8 LEU HD21 1 1 4 989 1 1 8 LEU HD22 H 14.348 4.786 2.422 1.00 . A A . 8 LEU HD22 1 1 4 990 1 1 8 LEU HD23 H 13.982 6.499 2.628 1.00 . A A . 8 LEU HD23 1 1 4 991 1 1 8 LEU HG H 12.190 5.244 1.470 1.00 . A A . 8 LEU HG 1 1 4 992 1 1 8 LEU N N 9.725 2.532 2.362 1.00 . A A . 8 LEU N 1 1 4 993 1 1 8 LEU O O 13.166 1.796 1.050 1.00 . A A . 8 LEU O 1 1 4 994 1 1 9 ASP C C 12.332 -1.495 0.608 1.00 . A A . 9 ASP C 1 1 4 995 1 1 9 ASP CA C 12.342 -0.941 2.069 1.00 . A A . 9 ASP CA 1 1 4 996 1 1 9 ASP CB C 11.735 -1.981 3.044 1.00 . A A . 9 ASP CB 1 1 4 997 1 1 9 ASP CG C 12.788 -2.755 3.830 1.00 . A A . 9 ASP CG 1 1 4 998 1 1 9 ASP H H 10.772 0.398 2.676 1.00 . A A . 9 ASP H 1 1 4 999 1 1 9 ASP HA H 13.373 -0.778 2.350 1.00 . A A . 9 ASP HA 1 1 4 1000 1 1 9 ASP HB2 H 11.096 -1.472 3.749 1.00 . A A . 9 ASP HB2 1 1 4 1001 1 1 9 ASP HB3 H 11.145 -2.688 2.479 1.00 . A A . 9 ASP HB3 1 1 4 1002 1 1 9 ASP N N 11.637 0.398 2.210 1.00 . A A . 9 ASP N 1 1 4 1003 1 1 9 ASP O O 13.368 -2.088 0.197 1.00 . A A . 9 ASP O 1 1 4 1004 1 1 9 ASP OD1 O 13.229 -3.824 3.348 1.00 . A A . 9 ASP OD1 1 1 4 1005 1 1 9 ASP OD2 O 13.163 -2.300 4.935 1.00 . A A . 9 ASP OD2 1 1 4 1006 1 1 10 GLY C C 9.876 -2.756 -1.726 1.00 . A A . 10 GLY C 1 1 4 1007 1 1 10 GLY CA C 10.953 -1.686 -1.549 1.00 . A A . 10 GLY CA 1 1 4 1008 1 1 10 GLY H H 10.435 -0.772 0.307 1.00 . A A . 10 GLY H 1 1 4 1009 1 1 10 GLY HA2 H 11.888 -2.068 -1.936 1.00 . A A . 10 GLY HA2 1 1 4 1010 1 1 10 GLY HA3 H 10.672 -0.820 -2.128 1.00 . A A . 10 GLY HA3 1 1 4 1011 1 1 10 GLY N N 11.164 -1.264 -0.135 1.00 . A A . 10 GLY N 1 1 4 1012 1 1 10 GLY O O 10.167 -3.781 -2.394 1.00 . A A . 10 GLY O 1 1 4 1013 1 1 11 LYS C C 6.105 -2.531 -1.279 1.00 . A A . 11 LYS C 1 1 4 1014 1 1 11 LYS CA C 7.411 -3.376 -1.181 1.00 . A A . 11 LYS CA 1 1 4 1015 1 1 11 LYS CB C 7.340 -4.460 -0.006 1.00 . A A . 11 LYS CB 1 1 4 1016 1 1 11 LYS CD C 8.242 -5.058 2.331 1.00 . A A . 11 LYS CD 1 1 4 1017 1 1 11 LYS CE C 8.050 -4.794 3.818 1.00 . A A . 11 LYS CE 1 1 4 1018 1 1 11 LYS CG C 7.566 -3.991 1.470 1.00 . A A . 11 LYS CG 1 1 4 1019 1 1 11 LYS H H 8.544 -1.634 -0.645 1.00 . A A . 11 LYS H 1 1 4 1020 1 1 11 LYS HA H 7.491 -3.919 -2.116 1.00 . A A . 11 LYS HA 1 1 4 1021 1 1 11 LYS HB2 H 6.363 -4.914 -0.041 1.00 . A A . 11 LYS HB2 1 1 4 1022 1 1 11 LYS HB3 H 8.070 -5.226 -0.233 1.00 . A A . 11 LYS HB3 1 1 4 1023 1 1 11 LYS HD2 H 7.821 -6.021 2.091 1.00 . A A . 11 LYS HD2 1 1 4 1024 1 1 11 LYS HD3 H 9.300 -5.060 2.111 1.00 . A A . 11 LYS HD3 1 1 4 1025 1 1 11 LYS HE2 H 8.621 -3.919 4.093 1.00 . A A . 11 LYS HE2 1 1 4 1026 1 1 11 LYS HE3 H 7.002 -4.611 4.005 1.00 . A A . 11 LYS HE3 1 1 4 1027 1 1 11 LYS HG2 H 8.188 -3.110 1.462 1.00 . A A . 11 LYS HG2 1 1 4 1028 1 1 11 LYS HG3 H 6.604 -3.745 1.902 1.00 . A A . 11 LYS HG3 1 1 4 1029 1 1 11 LYS HZ1 H 9.476 -6.204 4.404 1.00 . A A . 11 LYS HZ1 1 1 4 1030 1 1 11 LYS HZ2 H 8.462 -5.693 5.659 1.00 . A A . 11 LYS HZ2 1 1 4 1031 1 1 11 LYS HZ3 H 7.882 -6.766 4.487 1.00 . A A . 11 LYS HZ3 1 1 4 1032 1 1 11 LYS N N 8.639 -2.483 -1.132 1.00 . A A . 11 LYS N 1 1 4 1033 1 1 11 LYS NZ N 8.499 -5.944 4.650 1.00 . A A . 11 LYS NZ 1 1 4 1034 1 1 11 LYS O O 5.956 -1.543 -0.502 1.00 . A A . 11 LYS O 1 1 4 1035 1 1 12 THR C C 2.690 -3.268 -2.231 1.00 . A A . 12 THR C 1 1 4 1036 1 1 12 THR CA C 3.867 -2.301 -2.536 1.00 . A A . 12 THR CA 1 1 4 1037 1 1 12 THR CB C 3.743 -1.744 -4.005 1.00 . A A . 12 THR CB 1 1 4 1038 1 1 12 THR CG2 C 4.447 -0.394 -4.171 1.00 . A A . 12 THR CG2 1 1 4 1039 1 1 12 THR H H 5.435 -3.737 -2.790 1.00 . A A . 12 THR H 1 1 4 1040 1 1 12 THR HA H 3.780 -1.459 -1.860 1.00 . A A . 12 THR HA 1 1 4 1041 1 1 12 THR HB H 2.693 -1.598 -4.212 1.00 . A A . 12 THR HB 1 1 4 1042 1 1 12 THR HG1 H 3.859 -2.523 -5.818 1.00 . A A . 12 THR HG1 1 1 4 1043 1 1 12 THR HG21 H 4.226 0.235 -3.321 1.00 . A A . 12 THR HG21 1 1 4 1044 1 1 12 THR HG22 H 5.514 -0.551 -4.236 1.00 . A A . 12 THR HG22 1 1 4 1045 1 1 12 THR HG23 H 4.098 0.085 -5.074 1.00 . A A . 12 THR HG23 1 1 4 1046 1 1 12 THR N N 5.196 -2.953 -2.247 1.00 . A A . 12 THR N 1 1 4 1047 1 1 12 THR O O 2.735 -4.469 -2.648 1.00 . A A . 12 THR O 1 1 4 1048 1 1 12 THR OG1 O 4.265 -2.680 -4.963 1.00 . A A . 12 THR OG1 1 1 4 1049 1 1 13 ILE C C -0.803 -2.415 -0.868 1.00 . A A . 13 ILE C 1 1 4 1050 1 1 13 ILE CA C 0.387 -3.412 -1.017 1.00 . A A . 13 ILE CA 1 1 4 1051 1 1 13 ILE CB C 0.523 -4.310 0.320 1.00 . A A . 13 ILE CB 1 1 4 1052 1 1 13 ILE CD1 C 0.513 -3.490 2.817 1.00 . A A . 13 ILE CD1 1 1 4 1053 1 1 13 ILE CG1 C 1.321 -3.636 1.532 1.00 . A A . 13 ILE CG1 1 1 4 1054 1 1 13 ILE CG2 C 1.135 -5.675 -0.034 1.00 . A A . 13 ILE CG2 1 1 4 1055 1 1 13 ILE H H 1.753 -1.765 -1.203 1.00 . A A . 13 ILE H 1 1 4 1056 1 1 13 ILE HA H 0.119 -4.083 -1.827 1.00 . A A . 13 ILE HA 1 1 4 1057 1 1 13 ILE HB H -0.490 -4.512 0.647 1.00 . A A . 13 ILE HB 1 1 4 1058 1 1 13 ILE HD11 H 0.112 -4.454 3.094 1.00 . A A . 13 ILE HD11 1 1 4 1059 1 1 13 ILE HD12 H 1.155 -3.125 3.605 1.00 . A A . 13 ILE HD12 1 1 4 1060 1 1 13 ILE HD13 H -0.296 -2.794 2.657 1.00 . A A . 13 ILE HD13 1 1 4 1061 1 1 13 ILE HG12 H 2.200 -4.219 1.768 1.00 . A A . 13 ILE HG12 1 1 4 1062 1 1 13 ILE HG13 H 1.633 -2.647 1.228 1.00 . A A . 13 ILE HG13 1 1 4 1063 1 1 13 ILE HG21 H 2.088 -5.527 -0.519 1.00 . A A . 13 ILE HG21 1 1 4 1064 1 1 13 ILE HG22 H 1.274 -6.246 0.873 1.00 . A A . 13 ILE HG22 1 1 4 1065 1 1 13 ILE HG23 H 0.469 -6.207 -0.698 1.00 . A A . 13 ILE HG23 1 1 4 1066 1 1 13 ILE N N 1.657 -2.705 -1.476 1.00 . A A . 13 ILE N 1 1 4 1067 1 1 13 ILE O O -0.591 -1.285 -0.337 1.00 . A A . 13 ILE O 1 1 4 1068 1 1 14 THR C C -4.062 -2.291 0.061 1.00 . A A . 14 THR C 1 1 4 1069 1 1 14 THR CA C -3.329 -2.109 -1.299 1.00 . A A . 14 THR CA 1 1 4 1070 1 1 14 THR CB C -4.335 -2.485 -2.457 1.00 . A A . 14 THR CB 1 1 4 1071 1 1 14 THR CG2 C -3.945 -1.899 -3.801 1.00 . A A . 14 THR CG2 1 1 4 1072 1 1 14 THR H H -2.062 -3.784 -1.724 1.00 . A A . 14 THR H 1 1 4 1073 1 1 14 THR HA H -3.079 -1.061 -1.406 1.00 . A A . 14 THR HA 1 1 4 1074 1 1 14 THR HB H -5.301 -2.065 -2.194 1.00 . A A . 14 THR HB 1 1 4 1075 1 1 14 THR HG1 H -5.334 -4.179 -2.268 1.00 . A A . 14 THR HG1 1 1 4 1076 1 1 14 THR HG21 H -3.500 -0.928 -3.656 1.00 . A A . 14 THR HG21 1 1 4 1077 1 1 14 THR HG22 H -3.239 -2.554 -4.289 1.00 . A A . 14 THR HG22 1 1 4 1078 1 1 14 THR HG23 H -4.832 -1.801 -4.416 1.00 . A A . 14 THR HG23 1 1 4 1079 1 1 14 THR N N -2.030 -2.881 -1.339 1.00 . A A . 14 THR N 1 1 4 1080 1 1 14 THR O O -4.073 -3.438 0.620 1.00 . A A . 14 THR O 1 1 4 1081 1 1 14 THR OG1 O -4.469 -3.909 -2.583 1.00 . A A . 14 THR OG1 1 1 4 1082 1 1 15 LEU C C -6.990 -0.873 1.356 1.00 . A A . 15 LEU C 1 1 4 1083 1 1 15 LEU CA C -5.501 -1.067 1.779 1.00 . A A . 15 LEU CA 1 1 4 1084 1 1 15 LEU CB C -4.948 0.024 2.752 1.00 . A A . 15 LEU CB 1 1 4 1085 1 1 15 LEU CD1 C -3.370 -0.305 4.748 1.00 . A A . 15 LEU CD1 1 1 4 1086 1 1 15 LEU CD2 C -5.738 0.378 5.169 1.00 . A A . 15 LEU CD2 1 1 4 1087 1 1 15 LEU CG C -4.811 -0.420 4.250 1.00 . A A . 15 LEU CG 1 1 4 1088 1 1 15 LEU H H -4.634 -0.328 -0.006 1.00 . A A . 15 LEU H 1 1 4 1089 1 1 15 LEU HA H -5.423 -2.037 2.259 1.00 . A A . 15 LEU HA 1 1 4 1090 1 1 15 LEU HB2 H -3.977 0.329 2.378 1.00 . A A . 15 LEU HB2 1 1 4 1091 1 1 15 LEU HB3 H -5.608 0.879 2.696 1.00 . A A . 15 LEU HB3 1 1 4 1092 1 1 15 LEU HD11 H -3.031 0.715 4.637 1.00 . A A . 15 LEU HD11 1 1 4 1093 1 1 15 LEU HD12 H -3.326 -0.587 5.790 1.00 . A A . 15 LEU HD12 1 1 4 1094 1 1 15 LEU HD13 H -2.735 -0.960 4.170 1.00 . A A . 15 LEU HD13 1 1 4 1095 1 1 15 LEU HD21 H -6.724 0.429 4.729 1.00 . A A . 15 LEU HD21 1 1 4 1096 1 1 15 LEU HD22 H -5.799 -0.110 6.130 1.00 . A A . 15 LEU HD22 1 1 4 1097 1 1 15 LEU HD23 H -5.347 1.377 5.296 1.00 . A A . 15 LEU HD23 1 1 4 1098 1 1 15 LEU HG H -5.092 -1.462 4.330 1.00 . A A . 15 LEU HG 1 1 4 1099 1 1 15 LEU N N -4.694 -1.145 0.538 1.00 . A A . 15 LEU N 1 1 4 1100 1 1 15 LEU O O -7.394 0.237 0.858 1.00 . A A . 15 LEU O 1 1 4 1101 1 1 16 GLU C C -10.102 -2.589 2.282 1.00 . A A . 16 GLU C 1 1 4 1102 1 1 16 GLU CA C -9.200 -2.151 1.094 1.00 . A A . 16 GLU CA 1 1 4 1103 1 1 16 GLU CB C -9.324 -3.142 -0.088 1.00 . A A . 16 GLU CB 1 1 4 1104 1 1 16 GLU CD C -9.931 -3.276 -2.571 1.00 . A A . 16 GLU CD 1 1 4 1105 1 1 16 GLU CG C -9.214 -2.493 -1.476 1.00 . A A . 16 GLU CG 1 1 4 1106 1 1 16 GLU H H -7.326 -2.837 1.824 1.00 . A A . 16 GLU H 1 1 4 1107 1 1 16 GLU HA H -9.525 -1.176 0.763 1.00 . A A . 16 GLU HA 1 1 4 1108 1 1 16 GLU HB2 H -8.537 -3.878 -0.005 1.00 . A A . 16 GLU HB2 1 1 4 1109 1 1 16 GLU HB3 H -10.278 -3.641 -0.024 1.00 . A A . 16 GLU HB3 1 1 4 1110 1 1 16 GLU HG2 H -9.642 -1.503 -1.430 1.00 . A A . 16 GLU HG2 1 1 4 1111 1 1 16 GLU HG3 H -8.166 -2.413 -1.741 1.00 . A A . 16 GLU HG3 1 1 4 1112 1 1 16 GLU N N -7.763 -2.024 1.487 1.00 . A A . 16 GLU N 1 1 4 1113 1 1 16 GLU O O -9.660 -3.421 3.135 1.00 . A A . 16 GLU O 1 1 4 1114 1 1 16 GLU OE1 O -11.132 -3.008 -2.811 1.00 . A A . 16 GLU OE1 1 1 4 1115 1 1 16 GLU OE2 O -9.289 -4.148 -3.203 1.00 . A A . 16 GLU OE2 1 1 4 1116 1 1 17 VAL C C -13.829 -2.477 2.691 1.00 . A A . 17 VAL C 1 1 4 1117 1 1 17 VAL CA C -12.439 -2.240 3.342 1.00 . A A . 17 VAL CA 1 1 4 1118 1 1 17 VAL CB C -12.534 -1.134 4.513 1.00 . A A . 17 VAL CB 1 1 4 1119 1 1 17 VAL CG1 C -11.454 -1.374 5.563 1.00 . A A . 17 VAL CG1 1 1 4 1120 1 1 17 VAL CG2 C -12.485 0.364 4.067 1.00 . A A . 17 VAL CG2 1 1 4 1121 1 1 17 VAL H H -11.584 -1.363 1.580 1.00 . A A . 17 VAL H 1 1 4 1122 1 1 17 VAL HA H -12.169 -3.177 3.817 1.00 . A A . 17 VAL HA 1 1 4 1123 1 1 17 VAL HB H -13.484 -1.292 5.008 1.00 . A A . 17 VAL HB 1 1 4 1124 1 1 17 VAL HG11 H -11.551 -2.375 5.957 1.00 . A A . 17 VAL HG11 1 1 4 1125 1 1 17 VAL HG12 H -10.480 -1.257 5.111 1.00 . A A . 17 VAL HG12 1 1 4 1126 1 1 17 VAL HG13 H -11.566 -0.659 6.365 1.00 . A A . 17 VAL HG13 1 1 4 1127 1 1 17 VAL HG21 H -13.127 0.505 3.209 1.00 . A A . 17 VAL HG21 1 1 4 1128 1 1 17 VAL HG22 H -12.822 0.992 4.878 1.00 . A A . 17 VAL HG22 1 1 4 1129 1 1 17 VAL HG23 H -11.472 0.630 3.804 1.00 . A A . 17 VAL HG23 1 1 4 1130 1 1 17 VAL N N -11.364 -1.995 2.299 1.00 . A A . 17 VAL N 1 1 4 1131 1 1 17 VAL O O -14.205 -1.721 1.761 1.00 . A A . 17 VAL O 1 1 4 1132 1 1 17 VAL OXT O -14.522 -3.421 3.124 1.00 . A A . 17 VAL OXT 1 1 5 1133 1 1 1 MET C C -11.595 1.806 -0.640 1.00 . A A . 1 MET C 1 1 5 1134 1 1 1 MET CA C -12.982 2.472 -0.406 1.00 . A A . 1 MET CA 1 1 5 1135 1 1 1 MET CB C -12.976 3.308 0.903 1.00 . A A . 1 MET CB 1 1 5 1136 1 1 1 MET CE C -14.574 6.342 2.226 1.00 . A A . 1 MET CE 1 1 5 1137 1 1 1 MET CG C -12.808 4.821 0.709 1.00 . A A . 1 MET CG 1 1 5 1138 1 1 1 MET H1 H -14.102 0.882 -1.176 1.00 . A A . 1 MET H1 1 1 5 1139 1 1 1 MET H2 H -13.942 0.854 0.507 1.00 . A A . 1 MET H2 1 1 5 1140 1 1 1 MET H3 H -15.000 1.953 -0.224 1.00 . A A . 1 MET H3 1 1 5 1141 1 1 1 MET HA H -13.193 3.124 -1.241 1.00 . A A . 1 MET HA 1 1 5 1142 1 1 1 MET HB2 H -13.906 3.145 1.424 1.00 . A A . 1 MET HB2 1 1 5 1143 1 1 1 MET HB3 H -12.162 2.961 1.528 1.00 . A A . 1 MET HB3 1 1 5 1144 1 1 1 MET HE1 H -14.360 5.560 2.942 1.00 . A A . 1 MET HE1 1 1 5 1145 1 1 1 MET HE2 H -13.887 7.163 2.372 1.00 . A A . 1 MET HE2 1 1 5 1146 1 1 1 MET HE3 H -15.587 6.691 2.363 1.00 . A A . 1 MET HE3 1 1 5 1147 1 1 1 MET HG2 H -12.270 5.218 1.558 1.00 . A A . 1 MET HG2 1 1 5 1148 1 1 1 MET HG3 H -12.233 4.994 -0.189 1.00 . A A . 1 MET HG3 1 1 5 1149 1 1 1 MET N N -14.084 1.470 -0.318 1.00 . A A . 1 MET N 1 1 5 1150 1 1 1 MET O O -11.324 0.695 -0.077 1.00 . A A . 1 MET O 1 1 5 1151 1 1 1 MET SD S -14.385 5.691 0.566 1.00 . A A . 1 MET SD 1 1 5 1152 1 1 2 GLN C C -8.376 3.328 -1.538 1.00 . A A . 2 GLN C 1 1 5 1153 1 1 2 GLN CA C -9.343 2.149 -1.817 1.00 . A A . 2 GLN CA 1 1 5 1154 1 1 2 GLN CB C -9.238 1.647 -3.286 1.00 . A A . 2 GLN CB 1 1 5 1155 1 1 2 GLN CD C -8.544 -0.226 -4.885 1.00 . A A . 2 GLN CD 1 1 5 1156 1 1 2 GLN CG C -8.503 0.316 -3.453 1.00 . A A . 2 GLN CG 1 1 5 1157 1 1 2 GLN H H -11.060 3.394 -1.819 1.00 . A A . 2 GLN H 1 1 5 1158 1 1 2 GLN HA H -9.072 1.343 -1.150 1.00 . A A . 2 GLN HA 1 1 5 1159 1 1 2 GLN HB2 H -10.230 1.533 -3.687 1.00 . A A . 2 GLN HB2 1 1 5 1160 1 1 2 GLN HB3 H -8.708 2.390 -3.864 1.00 . A A . 2 GLN HB3 1 1 5 1161 1 1 2 GLN HE21 H -6.827 0.701 -5.366 1.00 . A A . 2 GLN HE21 1 1 5 1162 1 1 2 GLN HE22 H -7.564 -0.224 -6.625 1.00 . A A . 2 GLN HE22 1 1 5 1163 1 1 2 GLN HG2 H -7.470 0.454 -3.170 1.00 . A A . 2 GLN HG2 1 1 5 1164 1 1 2 GLN HG3 H -8.957 -0.412 -2.797 1.00 . A A . 2 GLN HG3 1 1 5 1165 1 1 2 GLN N N -10.736 2.538 -1.460 1.00 . A A . 2 GLN N 1 1 5 1166 1 1 2 GLN NE2 N -7.542 0.121 -5.708 1.00 . A A . 2 GLN NE2 1 1 5 1167 1 1 2 GLN O O -8.633 4.492 -1.997 1.00 . A A . 2 GLN O 1 1 5 1168 1 1 2 GLN OE1 O -9.463 -0.965 -5.250 1.00 . A A . 2 GLN OE1 1 1 5 1169 1 1 3 ILE C C -4.836 3.177 -0.277 1.00 . A A . 3 ILE C 1 1 5 1170 1 1 3 ILE CA C -6.193 3.928 -0.298 1.00 . A A . 3 ILE CA 1 1 5 1171 1 1 3 ILE CB C -6.474 4.737 1.075 1.00 . A A . 3 ILE CB 1 1 5 1172 1 1 3 ILE CD1 C -6.329 3.843 3.546 1.00 . A A . 3 ILE CD1 1 1 5 1173 1 1 3 ILE CG1 C -7.126 3.876 2.249 1.00 . A A . 3 ILE CG1 1 1 5 1174 1 1 3 ILE CG2 C -7.338 5.975 0.764 1.00 . A A . 3 ILE CG2 1 1 5 1175 1 1 3 ILE H H -7.214 2.059 -0.437 1.00 . A A . 3 ILE H 1 1 5 1176 1 1 3 ILE HA H -6.107 4.665 -1.091 1.00 . A A . 3 ILE HA 1 1 5 1177 1 1 3 ILE HB H -5.514 5.109 1.409 1.00 . A A . 3 ILE HB 1 1 5 1178 1 1 3 ILE HD11 H -5.776 4.763 3.653 1.00 . A A . 3 ILE HD11 1 1 5 1179 1 1 3 ILE HD12 H -7.010 3.732 4.378 1.00 . A A . 3 ILE HD12 1 1 5 1180 1 1 3 ILE HD13 H -5.645 3.008 3.527 1.00 . A A . 3 ILE HD13 1 1 5 1181 1 1 3 ILE HG21 H -6.923 6.500 -0.084 1.00 . A A . 3 ILE HG21 1 1 5 1182 1 1 3 ILE HG22 H -8.346 5.663 0.537 1.00 . A A . 3 ILE HG22 1 1 5 1183 1 1 3 ILE HG23 H -7.349 6.632 1.622 1.00 . A A . 3 ILE HG23 1 1 5 1184 1 1 3 ILE N N -7.285 2.991 -0.748 1.00 . A A . 3 ILE N 1 1 5 1185 1 1 3 ILE O O -4.722 2.110 0.396 1.00 . A A . 3 ILE O 1 1 5 1186 1 1 4 PHE C C -1.474 3.687 -0.196 1.00 . A A . 4 PHE C 1 1 5 1187 1 1 4 PHE CA C -2.473 3.217 -1.283 1.00 . A A . 4 PHE CA 1 1 5 1188 1 1 4 PHE CB C -1.965 3.624 -2.710 1.00 . A A . 4 PHE CB 1 1 5 1189 1 1 4 PHE CD1 C -3.296 2.326 -4.657 1.00 . A A . 4 PHE CD1 1 1 5 1190 1 1 4 PHE CD2 C -0.768 1.763 -4.180 1.00 . A A . 4 PHE CD2 1 1 5 1191 1 1 4 PHE CE1 C -3.308 1.319 -5.786 1.00 . A A . 4 PHE CE1 1 1 5 1192 1 1 4 PHE CE2 C -0.780 0.765 -5.320 1.00 . A A . 4 PHE CE2 1 1 5 1193 1 1 4 PHE CG C -2.020 2.564 -3.822 1.00 . A A . 4 PHE CG 1 1 5 1194 1 1 4 PHE CZ C -2.049 0.541 -6.122 1.00 . A A . 4 PHE CZ 1 1 5 1195 1 1 4 PHE H H -4.096 4.568 -1.574 1.00 . A A . 4 PHE H 1 1 5 1196 1 1 4 PHE HA H -2.536 2.141 -1.240 1.00 . A A . 4 PHE HA 1 1 5 1197 1 1 4 PHE HB2 H -2.551 4.460 -3.051 1.00 . A A . 4 PHE HB2 1 1 5 1198 1 1 4 PHE HB3 H -0.937 3.943 -2.621 1.00 . A A . 4 PHE HB3 1 1 5 1199 1 1 4 PHE HD1 H -4.197 2.870 -4.415 1.00 . A A . 4 PHE HD1 1 1 5 1200 1 1 4 PHE HD2 H 0.133 1.909 -3.604 1.00 . A A . 4 PHE HD2 1 1 5 1201 1 1 4 PHE HE1 H -4.213 1.157 -6.349 1.00 . A A . 4 PHE HE1 1 1 5 1202 1 1 4 PHE HE2 H 0.114 0.208 -5.556 1.00 . A A . 4 PHE HE2 1 1 5 1203 1 1 4 PHE HZ H -2.055 -0.170 -6.934 1.00 . A A . 4 PHE HZ 1 1 5 1204 1 1 4 PHE N N -3.857 3.751 -1.076 1.00 . A A . 4 PHE N 1 1 5 1205 1 1 4 PHE O O -1.550 4.868 0.267 1.00 . A A . 4 PHE O 1 1 5 1206 1 1 5 VAL C C 1.843 2.170 0.658 1.00 . A A . 5 VAL C 1 1 5 1207 1 1 5 VAL CA C 0.569 2.897 1.178 1.00 . A A . 5 VAL CA 1 1 5 1208 1 1 5 VAL CB C 0.207 2.500 2.705 1.00 . A A . 5 VAL CB 1 1 5 1209 1 1 5 VAL CG1 C -0.551 3.635 3.380 1.00 . A A . 5 VAL CG1 1 1 5 1210 1 1 5 VAL CG2 C -0.586 1.172 2.906 1.00 . A A . 5 VAL CG2 1 1 5 1211 1 1 5 VAL H H -0.585 1.850 -0.278 1.00 . A A . 5 VAL H 1 1 5 1212 1 1 5 VAL HA H 0.802 3.958 1.169 1.00 . A A . 5 VAL HA 1 1 5 1213 1 1 5 VAL HB H 1.147 2.396 3.232 1.00 . A A . 5 VAL HB 1 1 5 1214 1 1 5 VAL HG11 H -0.025 4.565 3.218 1.00 . A A . 5 VAL HG11 1 1 5 1215 1 1 5 VAL HG12 H -1.544 3.706 2.960 1.00 . A A . 5 VAL HG12 1 1 5 1216 1 1 5 VAL HG13 H -0.621 3.441 4.439 1.00 . A A . 5 VAL HG13 1 1 5 1217 1 1 5 VAL HG21 H -0.144 0.394 2.299 1.00 . A A . 5 VAL HG21 1 1 5 1218 1 1 5 VAL HG22 H -0.547 0.885 3.947 1.00 . A A . 5 VAL HG22 1 1 5 1219 1 1 5 VAL HG23 H -1.614 1.318 2.610 1.00 . A A . 5 VAL HG23 1 1 5 1220 1 1 5 VAL N N -0.538 2.725 0.169 1.00 . A A . 5 VAL N 1 1 5 1221 1 1 5 VAL O O 1.786 0.929 0.391 1.00 . A A . 5 VAL O 1 1 5 1222 1 1 6 LYS C C 5.479 3.013 0.804 1.00 . A A . 6 LYS C 1 1 5 1223 1 1 6 LYS CA C 4.278 2.563 -0.077 1.00 . A A . 6 LYS CA 1 1 5 1224 1 1 6 LYS CB C 4.446 3.113 -1.526 1.00 . A A . 6 LYS CB 1 1 5 1225 1 1 6 LYS CD C 5.701 2.427 -3.700 1.00 . A A . 6 LYS CD 1 1 5 1226 1 1 6 LYS CE C 5.087 2.645 -5.092 1.00 . A A . 6 LYS CE 1 1 5 1227 1 1 6 LYS CG C 4.670 2.031 -2.611 1.00 . A A . 6 LYS CG 1 1 5 1228 1 1 6 LYS H H 2.849 3.955 0.669 1.00 . A A . 6 LYS H 1 1 5 1229 1 1 6 LYS HA H 4.271 1.481 -0.113 1.00 . A A . 6 LYS HA 1 1 5 1230 1 1 6 LYS HB2 H 3.553 3.663 -1.787 1.00 . A A . 6 LYS HB2 1 1 5 1231 1 1 6 LYS HB3 H 5.287 3.793 -1.540 1.00 . A A . 6 LYS HB3 1 1 5 1232 1 1 6 LYS HD2 H 6.204 3.335 -3.406 1.00 . A A . 6 LYS HD2 1 1 5 1233 1 1 6 LYS HD3 H 6.426 1.630 -3.772 1.00 . A A . 6 LYS HD3 1 1 5 1234 1 1 6 LYS HE2 H 5.848 2.457 -5.835 1.00 . A A . 6 LYS HE2 1 1 5 1235 1 1 6 LYS HE3 H 4.273 1.949 -5.227 1.00 . A A . 6 LYS HE3 1 1 5 1236 1 1 6 LYS HG2 H 5.032 1.133 -2.127 1.00 . A A . 6 LYS HG2 1 1 5 1237 1 1 6 LYS HG3 H 3.718 1.817 -3.078 1.00 . A A . 6 LYS HG3 1 1 5 1238 1 1 6 LYS HZ1 H 5.314 4.723 -5.024 1.00 . A A . 6 LYS HZ1 1 1 5 1239 1 1 6 LYS HZ2 H 4.296 4.186 -6.263 1.00 . A A . 6 LYS HZ2 1 1 5 1240 1 1 6 LYS HZ3 H 3.749 4.194 -4.662 1.00 . A A . 6 LYS HZ3 1 1 5 1241 1 1 6 LYS N N 2.950 2.999 0.466 1.00 . A A . 6 LYS N 1 1 5 1242 1 1 6 LYS NZ N 4.575 4.034 -5.273 1.00 . A A . 6 LYS NZ 1 1 5 1243 1 1 6 LYS O O 5.441 4.136 1.396 1.00 . A A . 6 LYS O 1 1 5 1244 1 1 7 THR C C 9.059 2.128 0.550 1.00 . A A . 7 THR C 1 1 5 1245 1 1 7 THR CA C 7.854 2.304 1.543 1.00 . A A . 7 THR CA 1 1 5 1246 1 1 7 THR CB C 7.999 1.455 2.909 1.00 . A A . 7 THR CB 1 1 5 1247 1 1 7 THR CG2 C 7.830 -0.087 2.798 1.00 . A A . 7 THR CG2 1 1 5 1248 1 1 7 THR H H 6.456 1.287 0.295 1.00 . A A . 7 THR H 1 1 5 1249 1 1 7 THR HA H 7.859 3.351 1.832 1.00 . A A . 7 THR HA 1 1 5 1250 1 1 7 THR HB H 7.230 1.813 3.572 1.00 . A A . 7 THR HB 1 1 5 1251 1 1 7 THR HG1 H 9.976 1.498 2.964 1.00 . A A . 7 THR HG1 1 1 5 1252 1 1 7 THR HG21 H 7.980 -0.393 1.773 1.00 . A A . 7 THR HG21 1 1 5 1253 1 1 7 THR HG22 H 8.558 -0.575 3.429 1.00 . A A . 7 THR HG22 1 1 5 1254 1 1 7 THR HG23 H 6.835 -0.363 3.114 1.00 . A A . 7 THR HG23 1 1 5 1255 1 1 7 THR N N 6.545 2.112 0.823 1.00 . A A . 7 THR N 1 1 5 1256 1 1 7 THR O O 8.981 1.283 -0.391 1.00 . A A . 7 THR O 1 1 5 1257 1 1 7 THR OG1 O 9.256 1.724 3.557 1.00 . A A . 7 THR OG1 1 1 5 1258 1 1 8 LEU C C 12.384 1.765 0.230 1.00 . A A . 8 LEU C 1 1 5 1259 1 1 8 LEU CA C 11.427 3.012 0.014 1.00 . A A . 8 LEU CA 1 1 5 1260 1 1 8 LEU CB C 12.145 4.374 0.310 1.00 . A A . 8 LEU CB 1 1 5 1261 1 1 8 LEU CD1 C 11.190 6.598 -0.602 1.00 . A A . 8 LEU CD1 1 1 5 1262 1 1 8 LEU CD2 C 13.540 5.945 -1.167 1.00 . A A . 8 LEU CD2 1 1 5 1263 1 1 8 LEU CG C 12.136 5.417 -0.868 1.00 . A A . 8 LEU CG 1 1 5 1264 1 1 8 LEU H H 10.059 3.563 1.589 1.00 . A A . 8 LEU H 1 1 5 1265 1 1 8 LEU HA H 11.130 3.007 -1.026 1.00 . A A . 8 LEU HA 1 1 5 1266 1 1 8 LEU HB2 H 11.669 4.817 1.176 1.00 . A A . 8 LEU HB2 1 1 5 1267 1 1 8 LEU HB3 H 13.170 4.149 0.571 1.00 . A A . 8 LEU HB3 1 1 5 1268 1 1 8 LEU HD11 H 11.442 7.058 0.342 1.00 . A A . 8 LEU HD11 1 1 5 1269 1 1 8 LEU HD12 H 11.288 7.325 -1.395 1.00 . A A . 8 LEU HD12 1 1 5 1270 1 1 8 LEU HD13 H 10.169 6.239 -0.567 1.00 . A A . 8 LEU HD13 1 1 5 1271 1 1 8 LEU HD21 H 14.216 5.114 -1.299 1.00 . A A . 8 LEU HD21 1 1 5 1272 1 1 8 LEU HD22 H 13.516 6.538 -2.070 1.00 . A A . 8 LEU HD22 1 1 5 1273 1 1 8 LEU HD23 H 13.877 6.557 -0.344 1.00 . A A . 8 LEU HD23 1 1 5 1274 1 1 8 LEU HG H 11.782 4.920 -1.762 1.00 . A A . 8 LEU HG 1 1 5 1275 1 1 8 LEU N N 10.139 2.956 0.814 1.00 . A A . 8 LEU N 1 1 5 1276 1 1 8 LEU O O 13.385 1.608 -0.545 1.00 . A A . 8 LEU O 1 1 5 1277 1 1 9 ASP C C 12.612 -1.537 0.562 1.00 . A A . 9 ASP C 1 1 5 1278 1 1 9 ASP CA C 12.756 -0.405 1.631 1.00 . A A . 9 ASP CA 1 1 5 1279 1 1 9 ASP CB C 12.284 -0.912 3.018 1.00 . A A . 9 ASP CB 1 1 5 1280 1 1 9 ASP CG C 13.436 -1.299 3.939 1.00 . A A . 9 ASP CG 1 1 5 1281 1 1 9 ASP H H 11.203 1.078 1.754 1.00 . A A . 9 ASP H 1 1 5 1282 1 1 9 ASP HA H 13.804 -0.151 1.702 1.00 . A A . 9 ASP HA 1 1 5 1283 1 1 9 ASP HB2 H 11.714 -0.134 3.500 1.00 . A A . 9 ASP HB2 1 1 5 1284 1 1 9 ASP HB3 H 11.654 -1.777 2.878 1.00 . A A . 9 ASP HB3 1 1 5 1285 1 1 9 ASP N N 12.022 0.871 1.254 1.00 . A A . 9 ASP N 1 1 5 1286 1 1 9 ASP O O 13.617 -2.273 0.346 1.00 . A A . 9 ASP O 1 1 5 1287 1 1 9 ASP OD1 O 13.849 -2.481 3.916 1.00 . A A . 9 ASP OD1 1 1 5 1288 1 1 9 ASP OD2 O 13.916 -0.424 4.696 1.00 . A A . 9 ASP OD2 1 1 5 1289 1 1 10 GLY C C 9.776 -3.435 -0.835 1.00 . A A . 10 GLY C 1 1 5 1290 1 1 10 GLY CA C 11.026 -2.615 -1.146 1.00 . A A . 10 GLY CA 1 1 5 1291 1 1 10 GLY H H 10.677 -0.975 0.172 1.00 . A A . 10 GLY H 1 1 5 1292 1 1 10 GLY HA2 H 11.862 -3.288 -1.272 1.00 . A A . 10 GLY HA2 1 1 5 1293 1 1 10 GLY HA3 H 10.868 -2.086 -2.074 1.00 . A A . 10 GLY HA3 1 1 5 1294 1 1 10 GLY N N 11.370 -1.625 -0.085 1.00 . A A . 10 GLY N 1 1 5 1295 1 1 10 GLY O O 9.864 -4.688 -0.883 1.00 . A A . 10 GLY O 1 1 5 1296 1 1 11 LYS C C 6.115 -2.415 -0.797 1.00 . A A . 11 LYS C 1 1 5 1297 1 1 11 LYS CA C 7.264 -3.276 -0.188 1.00 . A A . 11 LYS CA 1 1 5 1298 1 1 11 LYS CB C 7.045 -3.387 1.356 1.00 . A A . 11 LYS CB 1 1 5 1299 1 1 11 LYS CD C 8.656 -4.040 3.300 1.00 . A A . 11 LYS CD 1 1 5 1300 1 1 11 LYS CE C 8.084 -4.461 4.668 1.00 . A A . 11 LYS CE 1 1 5 1301 1 1 11 LYS CG C 7.813 -4.532 2.081 1.00 . A A . 11 LYS CG 1 1 5 1302 1 1 11 LYS H H 8.698 -1.719 -0.528 1.00 . A A . 11 LYS H 1 1 5 1303 1 1 11 LYS HA H 7.216 -4.265 -0.621 1.00 . A A . 11 LYS HA 1 1 5 1304 1 1 11 LYS HB2 H 7.330 -2.450 1.799 1.00 . A A . 11 LYS HB2 1 1 5 1305 1 1 11 LYS HB3 H 5.989 -3.535 1.533 1.00 . A A . 11 LYS HB3 1 1 5 1306 1 1 11 LYS HD2 H 9.648 -4.454 3.213 1.00 . A A . 11 LYS HD2 1 1 5 1307 1 1 11 LYS HD3 H 8.726 -2.960 3.273 1.00 . A A . 11 LYS HD3 1 1 5 1308 1 1 11 LYS HE2 H 7.660 -5.449 4.580 1.00 . A A . 11 LYS HE2 1 1 5 1309 1 1 11 LYS HE3 H 8.888 -4.476 5.387 1.00 . A A . 11 LYS HE3 1 1 5 1310 1 1 11 LYS HG2 H 7.095 -5.263 2.420 1.00 . A A . 11 LYS HG2 1 1 5 1311 1 1 11 LYS HG3 H 8.481 -5.001 1.371 1.00 . A A . 11 LYS HG3 1 1 5 1312 1 1 11 LYS HZ1 H 7.406 -2.561 5.227 1.00 . A A . 11 LYS HZ1 1 1 5 1313 1 1 11 LYS HZ2 H 6.223 -3.517 4.486 1.00 . A A . 11 LYS HZ2 1 1 5 1314 1 1 11 LYS HZ3 H 6.681 -3.824 6.085 1.00 . A A . 11 LYS HZ3 1 1 5 1315 1 1 11 LYS N N 8.625 -2.699 -0.525 1.00 . A A . 11 LYS N 1 1 5 1316 1 1 11 LYS NZ N 7.024 -3.525 5.151 1.00 . A A . 11 LYS NZ 1 1 5 1317 1 1 11 LYS O O 6.236 -1.147 -0.842 1.00 . A A . 11 LYS O 1 1 5 1318 1 1 12 THR C C 2.513 -3.286 -1.241 1.00 . A A . 12 THR C 1 1 5 1319 1 1 12 THR CA C 3.749 -2.545 -1.820 1.00 . A A . 12 THR CA 1 1 5 1320 1 1 12 THR CB C 3.725 -2.520 -3.400 1.00 . A A . 12 THR CB 1 1 5 1321 1 1 12 THR CG2 C 4.584 -1.388 -3.969 1.00 . A A . 12 THR CG2 1 1 5 1322 1 1 12 THR H H 5.018 -4.115 -1.125 1.00 . A A . 12 THR H 1 1 5 1323 1 1 12 THR HA H 3.702 -1.518 -1.474 1.00 . A A . 12 THR HA 1 1 5 1324 1 1 12 THR HB H 2.706 -2.350 -3.710 1.00 . A A . 12 THR HB 1 1 5 1325 1 1 12 THR HG1 H 3.421 -4.225 -4.348 1.00 . A A . 12 THR HG1 1 1 5 1326 1 1 12 THR HG21 H 4.498 -0.515 -3.335 1.00 . A A . 12 THR HG21 1 1 5 1327 1 1 12 THR HG22 H 5.616 -1.703 -4.008 1.00 . A A . 12 THR HG22 1 1 5 1328 1 1 12 THR HG23 H 4.244 -1.144 -4.965 1.00 . A A . 12 THR HG23 1 1 5 1329 1 1 12 THR N N 5.000 -3.138 -1.230 1.00 . A A . 12 THR N 1 1 5 1330 1 1 12 THR O O 2.420 -4.553 -1.356 1.00 . A A . 12 THR O 1 1 5 1331 1 1 12 THR OG1 O 4.164 -3.775 -3.940 1.00 . A A . 12 THR OG1 1 1 5 1332 1 1 13 ILE C C -0.838 -1.898 -0.085 1.00 . A A . 13 ILE C 1 1 5 1333 1 1 13 ILE CA C 0.347 -2.925 0.142 1.00 . A A . 13 ILE CA 1 1 5 1334 1 1 13 ILE CB C 0.659 -3.324 1.708 1.00 . A A . 13 ILE CB 1 1 5 1335 1 1 13 ILE CD1 C -0.005 -5.636 2.747 1.00 . A A . 13 ILE CD1 1 1 5 1336 1 1 13 ILE CG1 C -0.466 -4.237 2.347 1.00 . A A . 13 ILE CG1 1 1 5 1337 1 1 13 ILE CG2 C 1.033 -2.136 2.661 1.00 . A A . 13 ILE CG2 1 1 5 1338 1 1 13 ILE H H 1.812 -1.505 -0.496 1.00 . A A . 13 ILE H 1 1 5 1339 1 1 13 ILE HA H 0.057 -3.842 -0.361 1.00 . A A . 13 ILE HA 1 1 5 1340 1 1 13 ILE HB H 1.561 -3.921 1.658 1.00 . A A . 13 ILE HB 1 1 5 1341 1 1 13 ILE HD11 H 0.866 -5.554 3.381 1.00 . A A . 13 ILE HD11 1 1 5 1342 1 1 13 ILE HD12 H -0.796 -6.137 3.283 1.00 . A A . 13 ILE HD12 1 1 5 1343 1 1 13 ILE HD13 H 0.247 -6.199 1.860 1.00 . A A . 13 ILE HD13 1 1 5 1344 1 1 13 ILE HG12 H -0.859 -3.764 3.235 1.00 . A A . 13 ILE HG12 1 1 5 1345 1 1 13 ILE HG13 H -1.269 -4.352 1.633 1.00 . A A . 13 ILE HG13 1 1 5 1346 1 1 13 ILE HG21 H 0.227 -1.417 2.675 1.00 . A A . 13 ILE HG21 1 1 5 1347 1 1 13 ILE HG22 H 1.193 -2.517 3.658 1.00 . A A . 13 ILE HG22 1 1 5 1348 1 1 13 ILE HG23 H 1.937 -1.662 2.307 1.00 . A A . 13 ILE HG23 1 1 5 1349 1 1 13 ILE N N 1.604 -2.463 -0.556 1.00 . A A . 13 ILE N 1 1 5 1350 1 1 13 ILE O O -0.623 -0.671 0.103 1.00 . A A . 13 ILE O 1 1 5 1351 1 1 14 THR C C -4.393 -2.017 0.375 1.00 . A A . 14 THR C 1 1 5 1352 1 1 14 THR CA C -3.339 -1.738 -0.733 1.00 . A A . 14 THR CA 1 1 5 1353 1 1 14 THR CB C -3.995 -2.091 -2.124 1.00 . A A . 14 THR CB 1 1 5 1354 1 1 14 THR CG2 C -3.321 -1.378 -3.275 1.00 . A A . 14 THR CG2 1 1 5 1355 1 1 14 THR H H -2.069 -3.450 -0.568 1.00 . A A . 14 THR H 1 1 5 1356 1 1 14 THR HA H -3.116 -0.681 -0.728 1.00 . A A . 14 THR HA 1 1 5 1357 1 1 14 THR HB H -5.029 -1.756 -2.093 1.00 . A A . 14 THR HB 1 1 5 1358 1 1 14 THR HG1 H -4.877 -3.849 -2.319 1.00 . A A . 14 THR HG1 1 1 5 1359 1 1 14 THR HG21 H -2.254 -1.358 -3.116 1.00 . A A . 14 THR HG21 1 1 5 1360 1 1 14 THR HG22 H -3.541 -1.898 -4.195 1.00 . A A . 14 THR HG22 1 1 5 1361 1 1 14 THR HG23 H -3.698 -0.367 -3.336 1.00 . A A . 14 THR HG23 1 1 5 1362 1 1 14 THR N N -2.045 -2.475 -0.467 1.00 . A A . 14 THR N 1 1 5 1363 1 1 14 THR O O -4.469 -3.184 0.889 1.00 . A A . 14 THR O 1 1 5 1364 1 1 14 THR OG1 O -3.980 -3.508 -2.362 1.00 . A A . 14 THR OG1 1 1 5 1365 1 1 15 LEU C C -7.659 -1.151 0.861 1.00 . A A . 15 LEU C 1 1 5 1366 1 1 15 LEU CA C -6.333 -0.976 1.667 1.00 . A A . 15 LEU CA 1 1 5 1367 1 1 15 LEU CB C -6.300 0.265 2.617 1.00 . A A . 15 LEU CB 1 1 5 1368 1 1 15 LEU CD1 C -5.119 0.355 4.893 1.00 . A A . 15 LEU CD1 1 1 5 1369 1 1 15 LEU CD2 C -7.604 0.606 4.800 1.00 . A A . 15 LEU CD2 1 1 5 1370 1 1 15 LEU CG C -6.389 -0.057 4.148 1.00 . A A . 15 LEU CG 1 1 5 1371 1 1 15 LEU H H -5.084 -0.092 0.191 1.00 . A A . 15 LEU H 1 1 5 1372 1 1 15 LEU HA H -6.190 -1.874 2.258 1.00 . A A . 15 LEU HA 1 1 5 1373 1 1 15 LEU HB2 H -5.382 0.806 2.415 1.00 . A A . 15 LEU HB2 1 1 5 1374 1 1 15 LEU HB3 H -7.127 0.907 2.342 1.00 . A A . 15 LEU HB3 1 1 5 1375 1 1 15 LEU HD11 H -4.269 -0.158 4.467 1.00 . A A . 15 LEU HD11 1 1 5 1376 1 1 15 LEU HD12 H -4.978 1.422 4.802 1.00 . A A . 15 LEU HD12 1 1 5 1377 1 1 15 LEU HD13 H -5.212 0.092 5.936 1.00 . A A . 15 LEU HD13 1 1 5 1378 1 1 15 LEU HD21 H -7.557 1.675 4.646 1.00 . A A . 15 LEU HD21 1 1 5 1379 1 1 15 LEU HD22 H -8.508 0.218 4.354 1.00 . A A . 15 LEU HD22 1 1 5 1380 1 1 15 LEU HD23 H -7.605 0.395 5.858 1.00 . A A . 15 LEU HD23 1 1 5 1381 1 1 15 LEU HG H -6.498 -1.126 4.272 1.00 . A A . 15 LEU HG 1 1 5 1382 1 1 15 LEU N N -5.221 -0.935 0.686 1.00 . A A . 15 LEU N 1 1 5 1383 1 1 15 LEU O O -8.156 -0.182 0.189 1.00 . A A . 15 LEU O 1 1 5 1384 1 1 16 GLU C C -10.401 -3.613 1.096 1.00 . A A . 16 GLU C 1 1 5 1385 1 1 16 GLU CA C -9.374 -2.929 0.152 1.00 . A A . 16 GLU CA 1 1 5 1386 1 1 16 GLU CB C -8.950 -3.886 -0.989 1.00 . A A . 16 GLU CB 1 1 5 1387 1 1 16 GLU CD C -8.678 -4.138 -3.522 1.00 . A A . 16 GLU CD 1 1 5 1388 1 1 16 GLU CG C -8.657 -3.190 -2.326 1.00 . A A . 16 GLU CG 1 1 5 1389 1 1 16 GLU H H -7.656 -3.131 1.389 1.00 . A A . 16 GLU H 1 1 5 1390 1 1 16 GLU HA H -9.842 -2.057 -0.284 1.00 . A A . 16 GLU HA 1 1 5 1391 1 1 16 GLU HB2 H -8.055 -4.409 -0.685 1.00 . A A . 16 GLU HB2 1 1 5 1392 1 1 16 GLU HB3 H -9.737 -4.606 -1.149 1.00 . A A . 16 GLU HB3 1 1 5 1393 1 1 16 GLU HG2 H -9.399 -2.423 -2.487 1.00 . A A . 16 GLU HG2 1 1 5 1394 1 1 16 GLU HG3 H -7.678 -2.728 -2.271 1.00 . A A . 16 GLU HG3 1 1 5 1395 1 1 16 GLU N N -8.159 -2.452 0.885 1.00 . A A . 16 GLU N 1 1 5 1396 1 1 16 GLU O O -9.988 -4.329 2.062 1.00 . A A . 16 GLU O 1 1 5 1397 1 1 16 GLU OE1 O -9.761 -4.311 -4.131 1.00 . A A . 16 GLU OE1 1 1 5 1398 1 1 16 GLU OE2 O -7.610 -4.696 -3.863 1.00 . A A . 16 GLU OE2 1 1 5 1399 1 1 17 VAL C C -13.362 -5.305 1.019 1.00 . A A . 17 VAL C 1 1 5 1400 1 1 17 VAL CA C -12.938 -3.903 1.536 1.00 . A A . 17 VAL CA 1 1 5 1401 1 1 17 VAL CB C -14.209 -2.913 1.617 1.00 . A A . 17 VAL CB 1 1 5 1402 1 1 17 VAL CG1 C -13.995 -1.856 2.696 1.00 . A A . 17 VAL CG1 1 1 5 1403 1 1 17 VAL CG2 C -14.630 -2.204 0.288 1.00 . A A . 17 VAL CG2 1 1 5 1404 1 1 17 VAL H H -11.925 -2.789 0.007 1.00 . A A . 17 VAL H 1 1 5 1405 1 1 17 VAL HA H -12.592 -4.053 2.553 1.00 . A A . 17 VAL HA 1 1 5 1406 1 1 17 VAL HB H -15.047 -3.518 1.940 1.00 . A A . 17 VAL HB 1 1 5 1407 1 1 17 VAL HG11 H -13.769 -2.341 3.634 1.00 . A A . 17 VAL HG11 1 1 5 1408 1 1 17 VAL HG12 H -13.174 -1.215 2.414 1.00 . A A . 17 VAL HG12 1 1 5 1409 1 1 17 VAL HG13 H -14.893 -1.265 2.804 1.00 . A A . 17 VAL HG13 1 1 5 1410 1 1 17 VAL HG21 H -14.631 -2.923 -0.519 1.00 . A A . 17 VAL HG21 1 1 5 1411 1 1 17 VAL HG22 H -15.620 -1.788 0.401 1.00 . A A . 17 VAL HG22 1 1 5 1412 1 1 17 VAL HG23 H -13.931 -1.414 0.064 1.00 . A A . 17 VAL HG23 1 1 5 1413 1 1 17 VAL N N -11.736 -3.363 0.781 1.00 . A A . 17 VAL N 1 1 5 1414 1 1 17 VAL O O -13.631 -6.181 1.867 1.00 . A A . 17 VAL O 1 1 5 1415 1 1 17 VAL OXT O -13.420 -5.507 -0.220 1.00 . A A . 17 VAL OXT 1 1 6 1416 1 1 1 MET C C -11.548 1.680 -1.906 1.00 . A A . 1 MET C 1 1 6 1417 1 1 1 MET CA C -12.841 2.548 -1.958 1.00 . A A . 1 MET CA 1 1 6 1418 1 1 1 MET CB C -13.092 3.241 -0.594 1.00 . A A . 1 MET CB 1 1 6 1419 1 1 1 MET CE C -14.635 6.327 0.665 1.00 . A A . 1 MET CE 1 1 6 1420 1 1 1 MET CG C -12.702 4.722 -0.537 1.00 . A A . 1 MET CG 1 1 6 1421 1 1 1 MET H1 H -13.894 1.229 -3.196 1.00 . A A . 1 MET H1 1 1 6 1422 1 1 1 MET H2 H -14.254 1.058 -1.552 1.00 . A A . 1 MET H2 1 1 6 1423 1 1 1 MET H3 H -14.874 2.370 -2.420 1.00 . A A . 1 MET H3 1 1 6 1424 1 1 1 MET HA H -12.715 3.302 -2.720 1.00 . A A . 1 MET HA 1 1 6 1425 1 1 1 MET HB2 H -14.144 3.169 -0.356 1.00 . A A . 1 MET HB2 1 1 6 1426 1 1 1 MET HB3 H -12.528 2.719 0.166 1.00 . A A . 1 MET HB3 1 1 6 1427 1 1 1 MET HE1 H -14.751 5.449 1.285 1.00 . A A . 1 MET HE1 1 1 6 1428 1 1 1 MET HE2 H -13.911 6.991 1.113 1.00 . A A . 1 MET HE2 1 1 6 1429 1 1 1 MET HE3 H -15.584 6.834 0.576 1.00 . A A . 1 MET HE3 1 1 6 1430 1 1 1 MET HG2 H -12.373 4.953 0.466 1.00 . A A . 1 MET HG2 1 1 6 1431 1 1 1 MET HG3 H -11.888 4.894 -1.226 1.00 . A A . 1 MET HG3 1 1 6 1432 1 1 1 MET N N -14.051 1.745 -2.306 1.00 . A A . 1 MET N 1 1 6 1433 1 1 1 MET O O -11.609 0.481 -1.487 1.00 . A A . 1 MET O 1 1 6 1434 1 1 1 MET SD S -14.067 5.830 -0.962 1.00 . A A . 1 MET SD 1 1 6 1435 1 1 2 GLN C C -8.019 2.773 -1.722 1.00 . A A . 2 GLN C 1 1 6 1436 1 1 2 GLN CA C -9.013 1.767 -2.353 1.00 . A A . 2 GLN CA 1 1 6 1437 1 1 2 GLN CB C -8.587 1.367 -3.796 1.00 . A A . 2 GLN CB 1 1 6 1438 1 1 2 GLN CD C -9.042 -0.316 -5.670 1.00 . A A . 2 GLN CD 1 1 6 1439 1 1 2 GLN CG C -8.894 -0.086 -4.163 1.00 . A A . 2 GLN CG 1 1 6 1440 1 1 2 GLN H H -10.473 3.280 -2.602 1.00 . A A . 2 GLN H 1 1 6 1441 1 1 2 GLN HA H -9.026 0.880 -1.731 1.00 . A A . 2 GLN HA 1 1 6 1442 1 1 2 GLN HB2 H -9.099 2.006 -4.499 1.00 . A A . 2 GLN HB2 1 1 6 1443 1 1 2 GLN HB3 H -7.521 1.521 -3.896 1.00 . A A . 2 GLN HB3 1 1 6 1444 1 1 2 GLN HE21 H -7.090 -0.754 -5.871 1.00 . A A . 2 GLN HE21 1 1 6 1445 1 1 2 GLN HE22 H -8.030 -0.810 -7.319 1.00 . A A . 2 GLN HE22 1 1 6 1446 1 1 2 GLN HG2 H -8.089 -0.710 -3.801 1.00 . A A . 2 GLN HG2 1 1 6 1447 1 1 2 GLN HG3 H -9.815 -0.377 -3.679 1.00 . A A . 2 GLN HG3 1 1 6 1448 1 1 2 GLN N N -10.390 2.341 -2.323 1.00 . A A . 2 GLN N 1 1 6 1449 1 1 2 GLN NE2 N -7.941 -0.662 -6.355 1.00 . A A . 2 GLN NE2 1 1 6 1450 1 1 2 GLN O O -8.026 3.999 -2.097 1.00 . A A . 2 GLN O 1 1 6 1451 1 1 2 GLN OE1 O -10.142 -0.198 -6.218 1.00 . A A . 2 GLN OE1 1 1 6 1452 1 1 3 ILE C C -4.770 2.298 -0.115 1.00 . A A . 3 ILE C 1 1 6 1453 1 1 3 ILE CA C -6.181 2.988 0.033 1.00 . A A . 3 ILE CA 1 1 6 1454 1 1 3 ILE CB C -6.736 3.304 1.532 1.00 . A A . 3 ILE CB 1 1 6 1455 1 1 3 ILE CD1 C -6.979 5.771 2.361 1.00 . A A . 3 ILE CD1 1 1 6 1456 1 1 3 ILE CG1 C -6.048 4.578 2.151 1.00 . A A . 3 ILE CG1 1 1 6 1457 1 1 3 ILE CG2 C -6.763 2.105 2.542 1.00 . A A . 3 ILE CG2 1 1 6 1458 1 1 3 ILE H H -7.304 1.279 -0.520 1.00 . A A . 3 ILE H 1 1 6 1459 1 1 3 ILE HA H -6.099 3.946 -0.471 1.00 . A A . 3 ILE HA 1 1 6 1460 1 1 3 ILE HB H -7.778 3.549 1.384 1.00 . A A . 3 ILE HB 1 1 6 1461 1 1 3 ILE HD11 H -7.809 5.707 1.670 1.00 . A A . 3 ILE HD11 1 1 6 1462 1 1 3 ILE HD12 H -7.353 5.761 3.374 1.00 . A A . 3 ILE HD12 1 1 6 1463 1 1 3 ILE HD13 H -6.436 6.687 2.185 1.00 . A A . 3 ILE HD13 1 1 6 1464 1 1 3 ILE HG21 H -6.767 1.174 1.995 1.00 . A A . 3 ILE HG21 1 1 6 1465 1 1 3 ILE HG22 H -5.891 2.146 3.177 1.00 . A A . 3 ILE HG22 1 1 6 1466 1 1 3 ILE HG23 H -7.655 2.170 3.150 1.00 . A A . 3 ILE HG23 1 1 6 1467 1 1 3 ILE N N -7.199 2.231 -0.738 1.00 . A A . 3 ILE N 1 1 6 1468 1 1 3 ILE O O -4.616 1.116 0.296 1.00 . A A . 3 ILE O 1 1 6 1469 1 1 4 PHE C C -1.359 3.362 -0.145 1.00 . A A . 4 PHE C 1 1 6 1470 1 1 4 PHE CA C -2.405 2.659 -1.047 1.00 . A A . 4 PHE CA 1 1 6 1471 1 1 4 PHE CB C -2.102 2.919 -2.562 1.00 . A A . 4 PHE CB 1 1 6 1472 1 1 4 PHE CD1 C -3.580 1.366 -4.188 1.00 . A A . 4 PHE CD1 1 1 6 1473 1 1 4 PHE CD2 C -1.008 0.880 -3.891 1.00 . A A . 4 PHE CD2 1 1 6 1474 1 1 4 PHE CE1 C -3.684 0.215 -5.164 1.00 . A A . 4 PHE CE1 1 1 6 1475 1 1 4 PHE CE2 C -1.119 -0.277 -4.862 1.00 . A A . 4 PHE CE2 1 1 6 1476 1 1 4 PHE CG C -2.234 1.723 -3.525 1.00 . A A . 4 PHE CG 1 1 6 1477 1 1 4 PHE CZ C -2.456 -0.609 -5.499 1.00 . A A . 4 PHE CZ 1 1 6 1478 1 1 4 PHE H H -4.072 3.977 -1.044 1.00 . A A . 4 PHE H 1 1 6 1479 1 1 4 PHE HA H -2.344 1.596 -0.866 1.00 . A A . 4 PHE HA 1 1 6 1480 1 1 4 PHE HB2 H -2.774 3.683 -2.916 1.00 . A A . 4 PHE HB2 1 1 6 1481 1 1 4 PHE HB3 H -1.089 3.289 -2.645 1.00 . A A . 4 PHE HB3 1 1 6 1482 1 1 4 PHE HD1 H -4.462 1.938 -3.943 1.00 . A A . 4 PHE HD1 1 1 6 1483 1 1 4 PHE HD2 H -0.055 1.110 -3.440 1.00 . A A . 4 PHE HD2 1 1 6 1484 1 1 4 PHE HE1 H -4.635 -0.025 -5.611 1.00 . A A . 4 PHE HE1 1 1 6 1485 1 1 4 PHE HE2 H -0.246 -0.864 -5.102 1.00 . A A . 4 PHE HE2 1 1 6 1486 1 1 4 PHE HZ H -2.531 -1.430 -6.196 1.00 . A A . 4 PHE HZ 1 1 6 1487 1 1 4 PHE N N -3.808 3.079 -0.746 1.00 . A A . 4 PHE N 1 1 6 1488 1 1 4 PHE O O -1.524 4.577 0.183 1.00 . A A . 4 PHE O 1 1 6 1489 1 1 5 VAL C C 2.211 2.352 0.573 1.00 . A A . 5 VAL C 1 1 6 1490 1 1 5 VAL CA C 0.881 2.973 1.096 1.00 . A A . 5 VAL CA 1 1 6 1491 1 1 5 VAL CB C 0.702 2.717 2.681 1.00 . A A . 5 VAL CB 1 1 6 1492 1 1 5 VAL CG1 C -0.151 3.817 3.303 1.00 . A A . 5 VAL CG1 1 1 6 1493 1 1 5 VAL CG2 C 0.126 1.327 3.104 1.00 . A A . 5 VAL CG2 1 1 6 1494 1 1 5 VAL H H -0.280 1.625 -0.097 1.00 . A A . 5 VAL H 1 1 6 1495 1 1 5 VAL HA H 0.973 4.045 0.955 1.00 . A A . 5 VAL HA 1 1 6 1496 1 1 5 VAL HB H 1.688 2.805 3.123 1.00 . A A . 5 VAL HB 1 1 6 1497 1 1 5 VAL HG11 H 0.252 4.781 3.035 1.00 . A A . 5 VAL HG11 1 1 6 1498 1 1 5 VAL HG12 H -1.165 3.736 2.939 1.00 . A A . 5 VAL HG12 1 1 6 1499 1 1 5 VAL HG13 H -0.146 3.712 4.378 1.00 . A A . 5 VAL HG13 1 1 6 1500 1 1 5 VAL HG21 H 0.775 0.543 2.744 1.00 . A A . 5 VAL HG21 1 1 6 1501 1 1 5 VAL HG22 H 0.064 1.275 4.180 1.00 . A A . 5 VAL HG22 1 1 6 1502 1 1 5 VAL HG23 H -0.861 1.202 2.681 1.00 . A A . 5 VAL HG23 1 1 6 1503 1 1 5 VAL N N -0.288 2.553 0.229 1.00 . A A . 5 VAL N 1 1 6 1504 1 1 5 VAL O O 2.243 1.116 0.290 1.00 . A A . 5 VAL O 1 1 6 1505 1 1 6 LYS C C 5.733 3.094 1.050 1.00 . A A . 6 LYS C 1 1 6 1506 1 1 6 LYS CA C 4.640 2.909 -0.047 1.00 . A A . 6 LYS CA 1 1 6 1507 1 1 6 LYS CB C 4.961 3.750 -1.309 1.00 . A A . 6 LYS CB 1 1 6 1508 1 1 6 LYS CD C 5.476 3.622 -3.818 1.00 . A A . 6 LYS CD 1 1 6 1509 1 1 6 LYS CE C 6.687 3.414 -4.725 1.00 . A A . 6 LYS CE 1 1 6 1510 1 1 6 LYS CG C 5.665 2.971 -2.438 1.00 . A A . 6 LYS CG 1 1 6 1511 1 1 6 LYS H H 3.106 4.188 0.692 1.00 . A A . 6 LYS H 1 1 6 1512 1 1 6 LYS HA H 4.621 1.864 -0.321 1.00 . A A . 6 LYS HA 1 1 6 1513 1 1 6 LYS HB2 H 4.035 4.148 -1.698 1.00 . A A . 6 LYS HB2 1 1 6 1514 1 1 6 LYS HB3 H 5.599 4.574 -1.020 1.00 . A A . 6 LYS HB3 1 1 6 1515 1 1 6 LYS HD2 H 4.612 3.176 -4.291 1.00 . A A . 6 LYS HD2 1 1 6 1516 1 1 6 LYS HD3 H 5.311 4.684 -3.697 1.00 . A A . 6 LYS HD3 1 1 6 1517 1 1 6 LYS HE2 H 7.507 4.010 -4.349 1.00 . A A . 6 LYS HE2 1 1 6 1518 1 1 6 LYS HE3 H 6.963 2.370 -4.703 1.00 . A A . 6 LYS HE3 1 1 6 1519 1 1 6 LYS HG2 H 6.720 2.921 -2.207 1.00 . A A . 6 LYS HG2 1 1 6 1520 1 1 6 LYS HG3 H 5.261 1.968 -2.466 1.00 . A A . 6 LYS HG3 1 1 6 1521 1 1 6 LYS HZ1 H 5.551 3.327 -6.476 1.00 . A A . 6 LYS HZ1 1 1 6 1522 1 1 6 LYS HZ2 H 6.251 4.840 -6.187 1.00 . A A . 6 LYS HZ2 1 1 6 1523 1 1 6 LYS HZ3 H 7.205 3.559 -6.743 1.00 . A A . 6 LYS HZ3 1 1 6 1524 1 1 6 LYS N N 3.268 3.250 0.447 1.00 . A A . 6 LYS N 1 1 6 1525 1 1 6 LYS NZ N 6.404 3.813 -6.131 1.00 . A A . 6 LYS NZ 1 1 6 1526 1 1 6 LYS O O 5.639 4.047 1.881 1.00 . A A . 6 LYS O 1 1 6 1527 1 1 7 THR C C 9.287 2.186 1.116 1.00 . A A . 7 THR C 1 1 6 1528 1 1 7 THR CA C 7.954 2.073 1.912 1.00 . A A . 7 THR CA 1 1 6 1529 1 1 7 THR CB C 7.981 0.760 2.779 1.00 . A A . 7 THR CB 1 1 6 1530 1 1 7 THR CG2 C 7.072 0.859 4.006 1.00 . A A . 7 THR CG2 1 1 6 1531 1 1 7 THR H H 6.706 1.466 0.290 1.00 . A A . 7 THR H 1 1 6 1532 1 1 7 THR HA H 7.896 2.917 2.586 1.00 . A A . 7 THR HA 1 1 6 1533 1 1 7 THR HB H 8.993 0.611 3.124 1.00 . A A . 7 THR HB 1 1 6 1534 1 1 7 THR HG1 H 8.365 -0.696 1.507 1.00 . A A . 7 THR HG1 1 1 6 1535 1 1 7 THR HG21 H 6.161 1.372 3.738 1.00 . A A . 7 THR HG21 1 1 6 1536 1 1 7 THR HG22 H 6.836 -0.134 4.358 1.00 . A A . 7 THR HG22 1 1 6 1537 1 1 7 THR HG23 H 7.579 1.408 4.786 1.00 . A A . 7 THR HG23 1 1 6 1538 1 1 7 THR N N 6.757 2.150 0.994 1.00 . A A . 7 THR N 1 1 6 1539 1 1 7 THR O O 9.367 1.683 -0.046 1.00 . A A . 7 THR O 1 1 6 1540 1 1 7 THR OG1 O 7.605 -0.381 2.002 1.00 . A A . 7 THR OG1 1 1 6 1541 1 1 8 LEU C C 12.581 1.808 0.976 1.00 . A A . 8 LEU C 1 1 6 1542 1 1 8 LEU CA C 11.727 3.116 1.237 1.00 . A A . 8 LEU CA 1 1 6 1543 1 1 8 LEU CB C 12.476 4.091 2.190 1.00 . A A . 8 LEU CB 1 1 6 1544 1 1 8 LEU CD1 C 11.595 6.329 3.081 1.00 . A A . 8 LEU CD1 1 1 6 1545 1 1 8 LEU CD2 C 13.535 6.327 1.504 1.00 . A A . 8 LEU CD2 1 1 6 1546 1 1 8 LEU CG C 12.239 5.613 1.896 1.00 . A A . 8 LEU CG 1 1 6 1547 1 1 8 LEU H H 10.126 3.199 2.683 1.00 . A A . 8 LEU H 1 1 6 1548 1 1 8 LEU HA H 11.601 3.613 0.285 1.00 . A A . 8 LEU HA 1 1 6 1549 1 1 8 LEU HB2 H 12.161 3.865 3.202 1.00 . A A . 8 LEU HB2 1 1 6 1550 1 1 8 LEU HB3 H 13.534 3.877 2.115 1.00 . A A . 8 LEU HB3 1 1 6 1551 1 1 8 LEU HD11 H 10.707 5.792 3.386 1.00 . A A . 8 LEU HD11 1 1 6 1552 1 1 8 LEU HD12 H 12.293 6.365 3.905 1.00 . A A . 8 LEU HD12 1 1 6 1553 1 1 8 LEU HD13 H 11.326 7.333 2.792 1.00 . A A . 8 LEU HD13 1 1 6 1554 1 1 8 LEU HD21 H 13.954 5.856 0.627 1.00 . A A . 8 LEU HD21 1 1 6 1555 1 1 8 LEU HD22 H 13.323 7.364 1.288 1.00 . A A . 8 LEU HD22 1 1 6 1556 1 1 8 LEU HD23 H 14.241 6.265 2.318 1.00 . A A . 8 LEU HD23 1 1 6 1557 1 1 8 LEU HG H 11.555 5.706 1.063 1.00 . A A . 8 LEU HG 1 1 6 1558 1 1 8 LEU N N 10.324 2.860 1.779 1.00 . A A . 8 LEU N 1 1 6 1559 1 1 8 LEU O O 13.581 1.874 0.192 1.00 . A A . 8 LEU O 1 1 6 1560 1 1 9 ASP C C 12.562 -1.398 0.096 1.00 . A A . 9 ASP C 1 1 6 1561 1 1 9 ASP CA C 12.766 -0.741 1.498 1.00 . A A . 9 ASP CA 1 1 6 1562 1 1 9 ASP CB C 12.236 -1.677 2.615 1.00 . A A . 9 ASP CB 1 1 6 1563 1 1 9 ASP CG C 13.171 -1.768 3.816 1.00 . A A . 9 ASP CG 1 1 6 1564 1 1 9 ASP H H 11.325 0.711 2.165 1.00 . A A . 9 ASP H 1 1 6 1565 1 1 9 ASP HA H 13.829 -0.608 1.646 1.00 . A A . 9 ASP HA 1 1 6 1566 1 1 9 ASP HB2 H 11.282 -1.308 2.957 1.00 . A A . 9 ASP HB2 1 1 6 1567 1 1 9 ASP HB3 H 12.106 -2.669 2.207 1.00 . A A . 9 ASP HB3 1 1 6 1568 1 1 9 ASP N N 12.134 0.636 1.612 1.00 . A A . 9 ASP N 1 1 6 1569 1 1 9 ASP O O 13.519 -2.067 -0.384 1.00 . A A . 9 ASP O 1 1 6 1570 1 1 9 ASP OD1 O 13.016 -0.957 4.757 1.00 . A A . 9 ASP OD1 1 1 6 1571 1 1 9 ASP OD2 O 14.049 -2.662 3.823 1.00 . A A . 9 ASP OD2 1 1 6 1572 1 1 10 GLY C C 9.805 -2.701 -1.845 1.00 . A A . 10 GLY C 1 1 6 1573 1 1 10 GLY CA C 10.935 -1.674 -1.870 1.00 . A A . 10 GLY CA 1 1 6 1574 1 1 10 GLY H H 10.674 -0.605 -0.044 1.00 . A A . 10 GLY H 1 1 6 1575 1 1 10 GLY HA2 H 11.803 -2.125 -2.331 1.00 . A A . 10 GLY HA2 1 1 6 1576 1 1 10 GLY HA3 H 10.622 -0.838 -2.478 1.00 . A A . 10 GLY HA3 1 1 6 1577 1 1 10 GLY N N 11.325 -1.164 -0.526 1.00 . A A . 10 GLY N 1 1 6 1578 1 1 10 GLY O O 9.979 -3.782 -2.466 1.00 . A A . 10 GLY O 1 1 6 1579 1 1 11 LYS C C 6.117 -2.290 -1.001 1.00 . A A . 11 LYS C 1 1 6 1580 1 1 11 LYS CA C 7.401 -3.177 -0.985 1.00 . A A . 11 LYS CA 1 1 6 1581 1 1 11 LYS CB C 7.425 -4.175 0.265 1.00 . A A . 11 LYS CB 1 1 6 1582 1 1 11 LYS CD C 8.411 -4.695 2.592 1.00 . A A . 11 LYS CD 1 1 6 1583 1 1 11 LYS CE C 8.180 -4.405 4.076 1.00 . A A . 11 LYS CE 1 1 6 1584 1 1 11 LYS CG C 7.813 -3.619 1.672 1.00 . A A . 11 LYS CG 1 1 6 1585 1 1 11 LYS H H 8.649 -1.452 -0.704 1.00 . A A . 11 LYS H 1 1 6 1586 1 1 11 LYS HA H 7.357 -3.785 -1.882 1.00 . A A . 11 LYS HA 1 1 6 1587 1 1 11 LYS HB2 H 6.441 -4.603 0.362 1.00 . A A . 11 LYS HB2 1 1 6 1588 1 1 11 LYS HB3 H 8.112 -4.977 0.024 1.00 . A A . 11 LYS HB3 1 1 6 1589 1 1 11 LYS HD2 H 7.963 -5.650 2.358 1.00 . A A . 11 LYS HD2 1 1 6 1590 1 1 11 LYS HD3 H 9.474 -4.746 2.410 1.00 . A A . 11 LYS HD3 1 1 6 1591 1 1 11 LYS HE2 H 9.002 -4.819 4.639 1.00 . A A . 11 LYS HE2 1 1 6 1592 1 1 11 LYS HE3 H 8.147 -3.334 4.229 1.00 . A A . 11 LYS HE3 1 1 6 1593 1 1 11 LYS HG2 H 8.543 -2.834 1.543 1.00 . A A . 11 LYS HG2 1 1 6 1594 1 1 11 LYS HG3 H 6.925 -3.210 2.133 1.00 . A A . 11 LYS HG3 1 1 6 1595 1 1 11 LYS HZ1 H 6.850 -6.005 4.286 1.00 . A A . 11 LYS HZ1 1 1 6 1596 1 1 11 LYS HZ2 H 6.870 -4.952 5.610 1.00 . A A . 11 LYS HZ2 1 1 6 1597 1 1 11 LYS HZ3 H 6.094 -4.495 4.178 1.00 . A A . 11 LYS HZ3 1 1 6 1598 1 1 11 LYS N N 8.656 -2.335 -1.136 1.00 . A A . 11 LYS N 1 1 6 1599 1 1 11 LYS NZ N 6.909 -5.006 4.573 1.00 . A A . 11 LYS NZ 1 1 6 1600 1 1 11 LYS O O 6.088 -1.244 -0.291 1.00 . A A . 11 LYS O 1 1 6 1601 1 1 12 THR C C 2.595 -2.995 -1.532 1.00 . A A . 12 THR C 1 1 6 1602 1 1 12 THR CA C 3.753 -2.078 -2.012 1.00 . A A . 12 THR CA 1 1 6 1603 1 1 12 THR CB C 3.484 -1.615 -3.492 1.00 . A A . 12 THR CB 1 1 6 1604 1 1 12 THR CG2 C 4.190 -0.295 -3.820 1.00 . A A . 12 THR CG2 1 1 6 1605 1 1 12 THR H H 5.243 -3.582 -2.324 1.00 . A A . 12 THR H 1 1 6 1606 1 1 12 THR HA H 3.754 -1.193 -1.386 1.00 . A A . 12 THR HA 1 1 6 1607 1 1 12 THR HB H 2.420 -1.457 -3.597 1.00 . A A . 12 THR HB 1 1 6 1608 1 1 12 THR HG1 H 3.131 -2.878 -4.970 1.00 . A A . 12 THR HG1 1 1 6 1609 1 1 12 THR HG21 H 5.176 -0.295 -3.379 1.00 . A A . 12 THR HG21 1 1 6 1610 1 1 12 THR HG22 H 4.276 -0.190 -4.892 1.00 . A A . 12 THR HG22 1 1 6 1611 1 1 12 THR HG23 H 3.616 0.529 -3.423 1.00 . A A . 12 THR HG23 1 1 6 1612 1 1 12 THR N N 5.093 -2.750 -1.822 1.00 . A A . 12 THR N 1 1 6 1613 1 1 12 THR O O 2.605 -4.232 -1.832 1.00 . A A . 12 THR O 1 1 6 1614 1 1 12 THR OG1 O 3.885 -2.622 -4.435 1.00 . A A . 12 THR OG1 1 1 6 1615 1 1 13 ILE C C -0.839 -2.055 -0.113 1.00 . A A . 13 ILE C 1 1 6 1616 1 1 13 ILE CA C 0.384 -3.019 -0.165 1.00 . A A . 13 ILE CA 1 1 6 1617 1 1 13 ILE CB C 0.600 -3.717 1.277 1.00 . A A . 13 ILE CB 1 1 6 1618 1 1 13 ILE CD1 C 0.581 -2.612 3.666 1.00 . A A . 13 ILE CD1 1 1 6 1619 1 1 13 ILE CG1 C 1.361 -2.832 2.372 1.00 . A A . 13 ILE CG1 1 1 6 1620 1 1 13 ILE CG2 C 1.299 -5.080 1.095 1.00 . A A . 13 ILE CG2 1 1 6 1621 1 1 13 ILE H H 1.727 -1.393 -0.592 1.00 . A A . 13 ILE H 1 1 6 1622 1 1 13 ILE HA H 0.116 -3.808 -0.859 1.00 . A A . 13 ILE HA 1 1 6 1623 1 1 13 ILE HB H -0.393 -3.940 1.649 1.00 . A A . 13 ILE HB 1 1 6 1624 1 1 13 ILE HD11 H 0.271 -3.570 4.060 1.00 . A A . 13 ILE HD11 1 1 6 1625 1 1 13 ILE HD12 H 1.212 -2.112 4.386 1.00 . A A . 13 ILE HD12 1 1 6 1626 1 1 13 ILE HD13 H -0.289 -2.007 3.465 1.00 . A A . 13 ILE HD13 1 1 6 1627 1 1 13 ILE HG12 H 2.301 -3.294 2.635 1.00 . A A . 13 ILE HG12 1 1 6 1628 1 1 13 ILE HG13 H 1.560 -1.859 1.945 1.00 . A A . 13 ILE HG13 1 1 6 1629 1 1 13 ILE HG21 H 2.233 -4.939 0.573 1.00 . A A . 13 ILE HG21 1 1 6 1630 1 1 13 ILE HG22 H 1.491 -5.511 2.068 1.00 . A A . 13 ILE HG22 1 1 6 1631 1 1 13 ILE HG23 H 0.660 -5.740 0.528 1.00 . A A . 13 ILE HG23 1 1 6 1632 1 1 13 ILE N N 1.616 -2.355 -0.766 1.00 . A A . 13 ILE N 1 1 6 1633 1 1 13 ILE O O -0.656 -0.855 0.241 1.00 . A A . 13 ILE O 1 1 6 1634 1 1 14 THR C C -4.460 -2.707 0.406 1.00 . A A . 14 THR C 1 1 6 1635 1 1 14 THR CA C -3.389 -1.935 -0.449 1.00 . A A . 14 THR CA 1 1 6 1636 1 1 14 THR CB C -3.900 -1.532 -1.925 1.00 . A A . 14 THR CB 1 1 6 1637 1 1 14 THR CG2 C -4.122 -2.694 -2.941 1.00 . A A . 14 THR CG2 1 1 6 1638 1 1 14 THR H H -2.061 -3.591 -0.686 1.00 . A A . 14 THR H 1 1 6 1639 1 1 14 THR HA H -3.211 -1.001 0.075 1.00 . A A . 14 THR HA 1 1 6 1640 1 1 14 THR HB H -3.144 -0.881 -2.344 1.00 . A A . 14 THR HB 1 1 6 1641 1 1 14 THR HG1 H -4.909 0.169 -1.980 1.00 . A A . 14 THR HG1 1 1 6 1642 1 1 14 THR HG21 H -3.253 -3.333 -2.954 1.00 . A A . 14 THR HG21 1 1 6 1643 1 1 14 THR HG22 H -4.992 -3.266 -2.650 1.00 . A A . 14 THR HG22 1 1 6 1644 1 1 14 THR HG23 H -4.279 -2.277 -3.926 1.00 . A A . 14 THR HG23 1 1 6 1645 1 1 14 THR N N -2.058 -2.638 -0.447 1.00 . A A . 14 THR N 1 1 6 1646 1 1 14 THR O O -4.441 -3.972 0.433 1.00 . A A . 14 THR O 1 1 6 1647 1 1 14 THR OG1 O -5.114 -0.761 -1.854 1.00 . A A . 14 THR OG1 1 1 6 1648 1 1 15 LEU C C -7.853 -1.806 1.411 1.00 . A A . 15 LEU C 1 1 6 1649 1 1 15 LEU CA C -6.489 -2.342 1.928 1.00 . A A . 15 LEU CA 1 1 6 1650 1 1 15 LEU CB C -6.225 -1.929 3.398 1.00 . A A . 15 LEU CB 1 1 6 1651 1 1 15 LEU CD1 C -5.342 -3.426 5.288 1.00 . A A . 15 LEU CD1 1 1 6 1652 1 1 15 LEU CD2 C -7.678 -2.544 5.424 1.00 . A A . 15 LEU CD2 1 1 6 1653 1 1 15 LEU CG C -6.570 -3.014 4.477 1.00 . A A . 15 LEU CG 1 1 6 1654 1 1 15 LEU H H -5.272 -0.914 0.936 1.00 . A A . 15 LEU H 1 1 6 1655 1 1 15 LEU HA H -6.512 -3.422 1.871 1.00 . A A . 15 LEU HA 1 1 6 1656 1 1 15 LEU HB2 H -5.172 -1.668 3.475 1.00 . A A . 15 LEU HB2 1 1 6 1657 1 1 15 LEU HB3 H -6.801 -1.036 3.596 1.00 . A A . 15 LEU HB3 1 1 6 1658 1 1 15 LEU HD11 H -4.540 -3.691 4.616 1.00 . A A . 15 LEU HD11 1 1 6 1659 1 1 15 LEU HD12 H -5.031 -2.602 5.913 1.00 . A A . 15 LEU HD12 1 1 6 1660 1 1 15 LEU HD13 H -5.588 -4.275 5.909 1.00 . A A . 15 LEU HD13 1 1 6 1661 1 1 15 LEU HD21 H -8.497 -2.140 4.846 1.00 . A A . 15 LEU HD21 1 1 6 1662 1 1 15 LEU HD22 H -8.028 -3.379 6.011 1.00 . A A . 15 LEU HD22 1 1 6 1663 1 1 15 LEU HD23 H -7.289 -1.780 6.080 1.00 . A A . 15 LEU HD23 1 1 6 1664 1 1 15 LEU HG H -6.931 -3.903 3.975 1.00 . A A . 15 LEU HG 1 1 6 1665 1 1 15 LEU N N -5.366 -1.884 1.060 1.00 . A A . 15 LEU N 1 1 6 1666 1 1 15 LEU O O -7.951 -0.596 1.019 1.00 . A A . 15 LEU O 1 1 6 1667 1 1 16 GLU C C -11.334 -2.902 2.012 1.00 . A A . 16 GLU C 1 1 6 1668 1 1 16 GLU CA C -10.282 -2.506 0.938 1.00 . A A . 16 GLU CA 1 1 6 1669 1 1 16 GLU CB C -10.543 -3.262 -0.385 1.00 . A A . 16 GLU CB 1 1 6 1670 1 1 16 GLU CD C -10.834 -2.996 -2.915 1.00 . A A . 16 GLU CD 1 1 6 1671 1 1 16 GLU CG C -10.162 -2.476 -1.648 1.00 . A A . 16 GLU CG 1 1 6 1672 1 1 16 GLU H H -8.669 -3.658 1.718 1.00 . A A . 16 GLU H 1 1 6 1673 1 1 16 GLU HA H -10.375 -1.445 0.755 1.00 . A A . 16 GLU HA 1 1 6 1674 1 1 16 GLU HB2 H -9.973 -4.180 -0.378 1.00 . A A . 16 GLU HB2 1 1 6 1675 1 1 16 GLU HB3 H -11.594 -3.505 -0.445 1.00 . A A . 16 GLU HB3 1 1 6 1676 1 1 16 GLU HG2 H -10.448 -1.444 -1.510 1.00 . A A . 16 GLU HG2 1 1 6 1677 1 1 16 GLU HG3 H -9.090 -2.532 -1.779 1.00 . A A . 16 GLU HG3 1 1 6 1678 1 1 16 GLU N N -8.878 -2.750 1.404 1.00 . A A . 16 GLU N 1 1 6 1679 1 1 16 GLU O O -11.135 -3.926 2.740 1.00 . A A . 16 GLU O 1 1 6 1680 1 1 16 GLU OE1 O -11.942 -2.513 -3.247 1.00 . A A . 16 GLU OE1 1 1 6 1681 1 1 16 GLU OE2 O -10.246 -3.876 -3.587 1.00 . A A . 16 GLU OE2 1 1 6 1682 1 1 17 VAL C C -14.691 -3.179 2.476 1.00 . A A . 17 VAL C 1 1 6 1683 1 1 17 VAL CA C -13.612 -2.213 3.037 1.00 . A A . 17 VAL CA 1 1 6 1684 1 1 17 VAL CB C -14.283 -0.835 3.543 1.00 . A A . 17 VAL CB 1 1 6 1685 1 1 17 VAL CG1 C -13.449 -0.213 4.658 1.00 . A A . 17 VAL CG1 1 1 6 1686 1 1 17 VAL CG2 C -14.562 0.251 2.452 1.00 . A A . 17 VAL CG2 1 1 6 1687 1 1 17 VAL H H -12.477 -1.295 1.462 1.00 . A A . 17 VAL H 1 1 6 1688 1 1 17 VAL HA H -13.202 -2.701 3.913 1.00 . A A . 17 VAL HA 1 1 6 1689 1 1 17 VAL HB H -15.235 -1.102 3.982 1.00 . A A . 17 VAL HB 1 1 6 1690 1 1 17 VAL HG11 H -13.278 -0.948 5.431 1.00 . A A . 17 VAL HG11 1 1 6 1691 1 1 17 VAL HG12 H -12.503 0.118 4.259 1.00 . A A . 17 VAL HG12 1 1 6 1692 1 1 17 VAL HG13 H -13.980 0.631 5.075 1.00 . A A . 17 VAL HG13 1 1 6 1693 1 1 17 VAL HG21 H -15.179 -0.172 1.673 1.00 . A A . 17 VAL HG21 1 1 6 1694 1 1 17 VAL HG22 H -15.072 1.090 2.901 1.00 . A A . 17 VAL HG22 1 1 6 1695 1 1 17 VAL HG23 H -13.627 0.584 2.028 1.00 . A A . 17 VAL HG23 1 1 6 1696 1 1 17 VAL N N -12.443 -2.058 2.081 1.00 . A A . 17 VAL N 1 1 6 1697 1 1 17 VAL O O -15.169 -4.032 3.252 1.00 . A A . 17 VAL O 1 1 6 1698 1 1 17 VAL OXT O -15.044 -3.071 1.275 1.00 . A A . 17 VAL OXT 1 1 7 1699 1 1 1 MET C C -11.554 1.627 -1.065 1.00 . A A . 1 MET C 1 1 7 1700 1 1 1 MET CA C -13.007 2.136 -0.830 1.00 . A A . 1 MET CA 1 1 7 1701 1 1 1 MET CB C -13.071 3.231 0.332 1.00 . A A . 1 MET CB 1 1 7 1702 1 1 1 MET CE C -10.908 4.063 3.190 1.00 . A A . 1 MET CE 1 1 7 1703 1 1 1 MET CG C -12.966 2.781 1.827 1.00 . A A . 1 MET CG 1 1 7 1704 1 1 1 MET H1 H -13.708 0.181 -1.169 1.00 . A A . 1 MET H1 1 1 7 1705 1 1 1 MET H2 H -13.992 0.743 0.402 1.00 . A A . 1 MET H2 1 1 7 1706 1 1 1 MET H3 H -14.939 1.304 -0.882 1.00 . A A . 1 MET H3 1 1 7 1707 1 1 1 MET HA H -13.316 2.619 -1.747 1.00 . A A . 1 MET HA 1 1 7 1708 1 1 1 MET HB2 H -12.262 3.926 0.168 1.00 . A A . 1 MET HB2 1 1 7 1709 1 1 1 MET HB3 H -14.000 3.772 0.219 1.00 . A A . 1 MET HB3 1 1 7 1710 1 1 1 MET HE1 H -11.216 4.885 2.559 1.00 . A A . 1 MET HE1 1 1 7 1711 1 1 1 MET HE2 H -11.451 4.102 4.123 1.00 . A A . 1 MET HE2 1 1 7 1712 1 1 1 MET HE3 H -9.848 4.135 3.384 1.00 . A A . 1 MET HE3 1 1 7 1713 1 1 1 MET HG2 H -13.402 3.546 2.450 1.00 . A A . 1 MET HG2 1 1 7 1714 1 1 1 MET HG3 H -13.516 1.861 1.951 1.00 . A A . 1 MET HG3 1 1 7 1715 1 1 1 MET N N -13.982 1.010 -0.603 1.00 . A A . 1 MET N 1 1 7 1716 1 1 1 MET O O -11.104 0.697 -0.330 1.00 . A A . 1 MET O 1 1 7 1717 1 1 1 MET SD S -11.260 2.514 2.357 1.00 . A A . 1 MET SD 1 1 7 1718 1 1 2 GLN C C -8.543 3.197 -2.032 1.00 . A A . 2 GLN C 1 1 7 1719 1 1 2 GLN CA C -9.449 2.014 -2.467 1.00 . A A . 2 GLN CA 1 1 7 1720 1 1 2 GLN CB C -9.322 1.708 -3.984 1.00 . A A . 2 GLN CB 1 1 7 1721 1 1 2 GLN CD C -9.757 -0.026 -5.813 1.00 . A A . 2 GLN CD 1 1 7 1722 1 1 2 GLN CG C -9.428 0.225 -4.340 1.00 . A A . 2 GLN CG 1 1 7 1723 1 1 2 GLN H H -11.321 3.011 -2.557 1.00 . A A . 2 GLN H 1 1 7 1724 1 1 2 GLN HA H -9.135 1.141 -1.907 1.00 . A A . 2 GLN HA 1 1 7 1725 1 1 2 GLN HB2 H -10.098 2.237 -4.513 1.00 . A A . 2 GLN HB2 1 1 7 1726 1 1 2 GLN HB3 H -8.360 2.064 -4.325 1.00 . A A . 2 GLN HB3 1 1 7 1727 1 1 2 GLN HE21 H -7.811 -0.128 -6.307 1.00 . A A . 2 GLN HE21 1 1 7 1728 1 1 2 GLN HE22 H -8.931 -0.342 -7.605 1.00 . A A . 2 GLN HE22 1 1 7 1729 1 1 2 GLN HG2 H -8.482 -0.251 -4.117 1.00 . A A . 2 GLN HG2 1 1 7 1730 1 1 2 GLN HG3 H -10.203 -0.221 -3.732 1.00 . A A . 2 GLN HG3 1 1 7 1731 1 1 2 GLN N N -10.859 2.289 -2.075 1.00 . A A . 2 GLN N 1 1 7 1732 1 1 2 GLN NE2 N -8.727 -0.181 -6.660 1.00 . A A . 2 GLN NE2 1 1 7 1733 1 1 2 GLN O O -8.844 4.393 -2.363 1.00 . A A . 2 GLN O 1 1 7 1734 1 1 2 GLN OE1 O -10.930 -0.095 -6.194 1.00 . A A . 2 GLN OE1 1 1 7 1735 1 1 3 ILE C C -5.042 3.028 -0.629 1.00 . A A . 3 ILE C 1 1 7 1736 1 1 3 ILE CA C -6.416 3.749 -0.668 1.00 . A A . 3 ILE CA 1 1 7 1737 1 1 3 ILE CB C -6.794 4.436 0.751 1.00 . A A . 3 ILE CB 1 1 7 1738 1 1 3 ILE CD1 C -6.774 3.323 3.132 1.00 . A A . 3 ILE CD1 1 1 7 1739 1 1 3 ILE CG1 C -7.499 3.470 1.804 1.00 . A A . 3 ILE CG1 1 1 7 1740 1 1 3 ILE CG2 C -7.661 5.683 0.491 1.00 . A A . 3 ILE CG2 1 1 7 1741 1 1 3 ILE H H -7.349 1.865 -1.044 1.00 . A A . 3 ILE H 1 1 7 1742 1 1 3 ILE HA H -6.308 4.551 -1.393 1.00 . A A . 3 ILE HA 1 1 7 1743 1 1 3 ILE HB H -5.863 4.793 1.173 1.00 . A A . 3 ILE HB 1 1 7 1744 1 1 3 ILE HD11 H -6.191 4.210 3.325 1.00 . A A . 3 ILE HD11 1 1 7 1745 1 1 3 ILE HD12 H -7.502 3.191 3.920 1.00 . A A . 3 ILE HD12 1 1 7 1746 1 1 3 ILE HD13 H -6.123 2.463 3.094 1.00 . A A . 3 ILE HD13 1 1 7 1747 1 1 3 ILE HG21 H -7.164 6.326 -0.221 1.00 . A A . 3 ILE HG21 1 1 7 1748 1 1 3 ILE HG22 H -8.618 5.380 0.094 1.00 . A A . 3 ILE HG22 1 1 7 1749 1 1 3 ILE HG23 H -7.807 6.219 1.418 1.00 . A A . 3 ILE HG23 1 1 7 1750 1 1 3 ILE N N -7.454 2.822 -1.252 1.00 . A A . 3 ILE N 1 1 7 1751 1 1 3 ILE O O -4.933 1.924 -0.019 1.00 . A A . 3 ILE O 1 1 7 1752 1 1 4 PHE C C -1.668 3.668 -0.430 1.00 . A A . 4 PHE C 1 1 7 1753 1 1 4 PHE CA C -2.637 3.178 -1.537 1.00 . A A . 4 PHE CA 1 1 7 1754 1 1 4 PHE CB C -2.129 3.616 -2.954 1.00 . A A . 4 PHE CB 1 1 7 1755 1 1 4 PHE CD1 C -3.605 2.416 -4.873 1.00 . A A . 4 PHE CD1 1 1 7 1756 1 1 4 PHE CD2 C -1.063 1.802 -4.562 1.00 . A A . 4 PHE CD2 1 1 7 1757 1 1 4 PHE CE1 C -3.697 1.456 -6.036 1.00 . A A . 4 PHE CE1 1 1 7 1758 1 1 4 PHE CE2 C -1.162 0.834 -5.725 1.00 . A A . 4 PHE CE2 1 1 7 1759 1 1 4 PHE CG C -2.275 2.607 -4.107 1.00 . A A . 4 PHE CG 1 1 7 1760 1 1 4 PHE CZ C -2.476 0.664 -6.464 1.00 . A A . 4 PHE CZ 1 1 7 1761 1 1 4 PHE H H -4.282 4.508 -1.812 1.00 . A A . 4 PHE H 1 1 7 1762 1 1 4 PHE HA H -2.667 2.101 -1.506 1.00 . A A . 4 PHE HA 1 1 7 1763 1 1 4 PHE HB2 H -2.668 4.500 -3.245 1.00 . A A . 4 PHE HB2 1 1 7 1764 1 1 4 PHE HB3 H -1.081 3.865 -2.873 1.00 . A A . 4 PHE HB3 1 1 7 1765 1 1 4 PHE HD1 H -4.478 2.971 -4.565 1.00 . A A . 4 PHE HD1 1 1 7 1766 1 1 4 PHE HD2 H -0.125 1.918 -4.039 1.00 . A A . 4 PHE HD2 1 1 7 1767 1 1 4 PHE HE1 H -4.637 1.326 -6.552 1.00 . A A . 4 PHE HE1 1 1 7 1768 1 1 4 PHE HE2 H -0.297 0.268 -6.030 1.00 . A A . 4 PHE HE2 1 1 7 1769 1 1 4 PHE HZ H -2.543 -0.023 -7.295 1.00 . A A . 4 PHE HZ 1 1 7 1770 1 1 4 PHE N N -4.043 3.670 -1.352 1.00 . A A . 4 PHE N 1 1 7 1771 1 1 4 PHE O O -1.800 4.833 0.053 1.00 . A A . 4 PHE O 1 1 7 1772 1 1 5 VAL C C 1.703 2.215 0.551 1.00 . A A . 5 VAL C 1 1 7 1773 1 1 5 VAL CA C 0.387 2.935 0.976 1.00 . A A . 5 VAL CA 1 1 7 1774 1 1 5 VAL CB C -0.019 2.557 2.495 1.00 . A A . 5 VAL CB 1 1 7 1775 1 1 5 VAL CG1 C -0.831 3.683 3.123 1.00 . A A . 5 VAL CG1 1 1 7 1776 1 1 5 VAL CG2 C -0.781 1.207 2.696 1.00 . A A . 5 VAL CG2 1 1 7 1777 1 1 5 VAL H H -0.703 1.866 -0.525 1.00 . A A . 5 VAL H 1 1 7 1778 1 1 5 VAL HA H 0.607 3.999 0.961 1.00 . A A . 5 VAL HA 1 1 7 1779 1 1 5 VAL HB H 0.906 2.493 3.056 1.00 . A A . 5 VAL HB 1 1 7 1780 1 1 5 VAL HG11 H -0.278 4.608 3.053 1.00 . A A . 5 VAL HG11 1 1 7 1781 1 1 5 VAL HG12 H -1.771 3.785 2.600 1.00 . A A . 5 VAL HG12 1 1 7 1782 1 1 5 VAL HG13 H -1.021 3.455 4.162 1.00 . A A . 5 VAL HG13 1 1 7 1783 1 1 5 VAL HG21 H -0.209 0.403 2.258 1.00 . A A . 5 VAL HG21 1 1 7 1784 1 1 5 VAL HG22 H -0.911 1.022 3.752 1.00 . A A . 5 VAL HG22 1 1 7 1785 1 1 5 VAL HG23 H -1.748 1.266 2.219 1.00 . A A . 5 VAL HG23 1 1 7 1786 1 1 5 VAL N N -0.697 2.735 -0.065 1.00 . A A . 5 VAL N 1 1 7 1787 1 1 5 VAL O O 1.643 1.013 0.149 1.00 . A A . 5 VAL O 1 1 7 1788 1 1 6 LYS C C 5.213 2.612 1.508 1.00 . A A . 6 LYS C 1 1 7 1789 1 1 6 LYS CA C 4.239 2.537 0.293 1.00 . A A . 6 LYS CA 1 1 7 1790 1 1 6 LYS CB C 4.770 3.367 -0.901 1.00 . A A . 6 LYS CB 1 1 7 1791 1 1 6 LYS CD C 5.493 3.296 -3.338 1.00 . A A . 6 LYS CD 1 1 7 1792 1 1 6 LYS CE C 6.510 2.689 -4.297 1.00 . A A . 6 LYS CE 1 1 7 1793 1 1 6 LYS CG C 5.442 2.541 -2.009 1.00 . A A . 6 LYS CG 1 1 7 1794 1 1 6 LYS H H 2.763 3.914 0.970 1.00 . A A . 6 LYS H 1 1 7 1795 1 1 6 LYS HA H 4.162 1.498 -0.008 1.00 . A A . 6 LYS HA 1 1 7 1796 1 1 6 LYS HB2 H 3.940 3.904 -1.334 1.00 . A A . 6 LYS HB2 1 1 7 1797 1 1 6 LYS HB3 H 5.491 4.081 -0.529 1.00 . A A . 6 LYS HB3 1 1 7 1798 1 1 6 LYS HD2 H 4.517 3.256 -3.798 1.00 . A A . 6 LYS HD2 1 1 7 1799 1 1 6 LYS HD3 H 5.762 4.325 -3.148 1.00 . A A . 6 LYS HD3 1 1 7 1800 1 1 6 LYS HE2 H 7.502 2.935 -3.952 1.00 . A A . 6 LYS HE2 1 1 7 1801 1 1 6 LYS HE3 H 6.386 1.615 -4.300 1.00 . A A . 6 LYS HE3 1 1 7 1802 1 1 6 LYS HG2 H 6.449 2.304 -1.700 1.00 . A A . 6 LYS HG2 1 1 7 1803 1 1 6 LYS HG3 H 4.883 1.626 -2.146 1.00 . A A . 6 LYS HG3 1 1 7 1804 1 1 6 LYS HZ1 H 6.314 4.240 -5.682 1.00 . A A . 6 LYS HZ1 1 1 7 1805 1 1 6 LYS HZ2 H 7.129 2.885 -6.281 1.00 . A A . 6 LYS HZ2 1 1 7 1806 1 1 6 LYS HZ3 H 5.449 2.845 -6.089 1.00 . A A . 6 LYS HZ3 1 1 7 1807 1 1 6 LYS N N 2.856 2.990 0.648 1.00 . A A . 6 LYS N 1 1 7 1808 1 1 6 LYS NZ N 6.338 3.200 -5.684 1.00 . A A . 6 LYS NZ 1 1 7 1809 1 1 6 LYS O O 5.119 3.568 2.336 1.00 . A A . 6 LYS O 1 1 7 1810 1 1 7 THR C C 8.522 2.109 2.288 1.00 . A A . 7 THR C 1 1 7 1811 1 1 7 THR CA C 7.195 1.365 2.627 1.00 . A A . 7 THR CA 1 1 7 1812 1 1 7 THR CB C 7.531 -0.152 2.863 1.00 . A A . 7 THR CB 1 1 7 1813 1 1 7 THR CG2 C 6.486 -0.853 3.739 1.00 . A A . 7 THR CG2 1 1 7 1814 1 1 7 THR H H 6.091 0.886 0.858 1.00 . A A . 7 THR H 1 1 7 1815 1 1 7 THR HA H 6.810 1.767 3.553 1.00 . A A . 7 THR HA 1 1 7 1816 1 1 7 THR HB H 8.481 -0.199 3.375 1.00 . A A . 7 THR HB 1 1 7 1817 1 1 7 THR HG1 H 8.557 -1.203 1.548 1.00 . A A . 7 THR HG1 1 1 7 1818 1 1 7 THR HG21 H 5.510 -0.750 3.287 1.00 . A A . 7 THR HG21 1 1 7 1819 1 1 7 THR HG22 H 6.733 -1.902 3.824 1.00 . A A . 7 THR HG22 1 1 7 1820 1 1 7 THR HG23 H 6.479 -0.404 4.721 1.00 . A A . 7 THR HG23 1 1 7 1821 1 1 7 THR N N 6.130 1.567 1.566 1.00 . A A . 7 THR N 1 1 7 1822 1 1 7 THR O O 9.209 2.586 3.231 1.00 . A A . 7 THR O 1 1 7 1823 1 1 7 THR OG1 O 7.671 -0.842 1.618 1.00 . A A . 7 THR OG1 1 1 7 1824 1 1 8 LEU C C 11.400 1.911 0.354 1.00 . A A . 8 LEU C 1 1 7 1825 1 1 8 LEU CA C 10.119 2.826 0.256 1.00 . A A . 8 LEU CA 1 1 7 1826 1 1 8 LEU CB C 10.425 4.313 0.730 1.00 . A A . 8 LEU CB 1 1 7 1827 1 1 8 LEU CD1 C 8.584 6.044 1.190 1.00 . A A . 8 LEU CD1 1 1 7 1828 1 1 8 LEU CD2 C 10.275 6.502 -0.595 1.00 . A A . 8 LEU CD2 1 1 7 1829 1 1 8 LEU CG C 9.483 5.410 0.126 1.00 . A A . 8 LEU CG 1 1 7 1830 1 1 8 LEU H H 8.246 1.759 0.287 1.00 . A A . 8 LEU H 1 1 7 1831 1 1 8 LEU HA H 9.878 2.876 -0.801 1.00 . A A . 8 LEU HA 1 1 7 1832 1 1 8 LEU HB2 H 10.354 4.334 1.812 1.00 . A A . 8 LEU HB2 1 1 7 1833 1 1 8 LEU HB3 H 11.448 4.536 0.460 1.00 . A A . 8 LEU HB3 1 1 7 1834 1 1 8 LEU HD11 H 7.973 5.280 1.647 1.00 . A A . 8 LEU HD11 1 1 7 1835 1 1 8 LEU HD12 H 9.196 6.514 1.945 1.00 . A A . 8 LEU HD12 1 1 7 1836 1 1 8 LEU HD13 H 7.949 6.787 0.728 1.00 . A A . 8 LEU HD13 1 1 7 1837 1 1 8 LEU HD21 H 10.964 6.964 0.097 1.00 . A A . 8 LEU HD21 1 1 7 1838 1 1 8 LEU HD22 H 10.827 6.066 -1.414 1.00 . A A . 8 LEU HD22 1 1 7 1839 1 1 8 LEU HD23 H 9.594 7.248 -0.977 1.00 . A A . 8 LEU HD23 1 1 7 1840 1 1 8 LEU HG H 8.834 4.944 -0.604 1.00 . A A . 8 LEU HG 1 1 7 1841 1 1 8 LEU N N 8.871 2.185 0.909 1.00 . A A . 8 LEU N 1 1 7 1842 1 1 8 LEU O O 12.357 2.106 -0.465 1.00 . A A . 8 LEU O 1 1 7 1843 1 1 9 ASP C C 12.557 -1.220 0.472 1.00 . A A . 9 ASP C 1 1 7 1844 1 1 9 ASP CA C 12.472 -0.124 1.579 1.00 . A A . 9 ASP CA 1 1 7 1845 1 1 9 ASP CB C 12.304 -0.773 2.975 1.00 . A A . 9 ASP CB 1 1 7 1846 1 1 9 ASP CG C 13.606 -0.850 3.764 1.00 . A A . 9 ASP CG 1 1 7 1847 1 1 9 ASP H H 10.568 0.813 1.868 1.00 . A A . 9 ASP H 1 1 7 1848 1 1 9 ASP HA H 13.406 0.421 1.571 1.00 . A A . 9 ASP HA 1 1 7 1849 1 1 9 ASP HB2 H 11.596 -0.195 3.548 1.00 . A A . 9 ASP HB2 1 1 7 1850 1 1 9 ASP HB3 H 11.921 -1.777 2.851 1.00 . A A . 9 ASP HB3 1 1 7 1851 1 1 9 ASP N N 11.377 0.891 1.324 1.00 . A A . 9 ASP N 1 1 7 1852 1 1 9 ASP O O 13.707 -1.597 0.113 1.00 . A A . 9 ASP O 1 1 7 1853 1 1 9 ASP OD1 O 13.908 0.107 4.514 1.00 . A A . 9 ASP OD1 1 1 7 1854 1 1 9 ASP OD2 O 14.319 -1.873 3.644 1.00 . A A . 9 ASP OD2 1 1 7 1855 1 1 10 GLY C C 9.930 -3.562 -1.057 1.00 . A A . 10 GLY C 1 1 7 1856 1 1 10 GLY CA C 11.207 -2.715 -1.123 1.00 . A A . 10 GLY CA 1 1 7 1857 1 1 10 GLY H H 10.509 -1.297 0.315 1.00 . A A . 10 GLY H 1 1 7 1858 1 1 10 GLY HA2 H 12.061 -3.376 -1.066 1.00 . A A . 10 GLY HA2 1 1 7 1859 1 1 10 GLY HA3 H 11.231 -2.215 -2.079 1.00 . A A . 10 GLY HA3 1 1 7 1860 1 1 10 GLY N N 11.336 -1.686 -0.047 1.00 . A A . 10 GLY N 1 1 7 1861 1 1 10 GLY O O 10.032 -4.794 -1.292 1.00 . A A . 10 GLY O 1 1 7 1862 1 1 11 LYS C C 6.258 -2.527 -1.167 1.00 . A A . 11 LYS C 1 1 7 1863 1 1 11 LYS CA C 7.359 -3.497 -0.646 1.00 . A A . 11 LYS CA 1 1 7 1864 1 1 11 LYS CB C 7.020 -3.922 0.814 1.00 . A A . 11 LYS CB 1 1 7 1865 1 1 11 LYS CD C 7.340 -5.527 2.705 1.00 . A A . 11 LYS CD 1 1 7 1866 1 1 11 LYS CE C 8.038 -6.789 3.167 1.00 . A A . 11 LYS CE 1 1 7 1867 1 1 11 LYS CG C 7.538 -5.291 1.216 1.00 . A A . 11 LYS CG 1 1 7 1868 1 1 11 LYS H H 8.800 -1.912 -0.598 1.00 . A A . 11 LYS H 1 1 7 1869 1 1 11 LYS HA H 7.355 -4.378 -1.273 1.00 . A A . 11 LYS HA 1 1 7 1870 1 1 11 LYS HB2 H 7.443 -3.193 1.489 1.00 . A A . 11 LYS HB2 1 1 7 1871 1 1 11 LYS HB3 H 5.945 -3.920 0.932 1.00 . A A . 11 LYS HB3 1 1 7 1872 1 1 11 LYS HD2 H 7.744 -4.685 3.248 1.00 . A A . 11 LYS HD2 1 1 7 1873 1 1 11 LYS HD3 H 6.283 -5.615 2.908 1.00 . A A . 11 LYS HD3 1 1 7 1874 1 1 11 LYS HE2 H 7.628 -7.627 2.627 1.00 . A A . 11 LYS HE2 1 1 7 1875 1 1 11 LYS HE3 H 9.091 -6.697 2.950 1.00 . A A . 11 LYS HE3 1 1 7 1876 1 1 11 LYS HG2 H 7.001 -6.048 0.664 1.00 . A A . 11 LYS HG2 1 1 7 1877 1 1 11 LYS HG3 H 8.592 -5.352 0.986 1.00 . A A . 11 LYS HG3 1 1 7 1878 1 1 11 LYS HZ1 H 6.851 -7.019 4.870 1.00 . A A . 11 LYS HZ1 1 1 7 1879 1 1 11 LYS HZ2 H 8.269 -7.939 4.895 1.00 . A A . 11 LYS HZ2 1 1 7 1880 1 1 11 LYS HZ3 H 8.340 -6.272 5.168 1.00 . A A . 11 LYS HZ3 1 1 7 1881 1 1 11 LYS N N 8.739 -2.881 -0.750 1.00 . A A . 11 LYS N 1 1 7 1882 1 1 11 LYS NZ N 7.862 -7.021 4.627 1.00 . A A . 11 LYS NZ 1 1 7 1883 1 1 11 LYS O O 6.346 -1.281 -0.920 1.00 . A A . 11 LYS O 1 1 7 1884 1 1 12 THR C C 2.773 -3.372 -2.314 1.00 . A A . 12 THR C 1 1 7 1885 1 1 12 THR CA C 4.016 -2.448 -2.460 1.00 . A A . 12 THR CA 1 1 7 1886 1 1 12 THR CB C 4.200 -1.973 -3.959 1.00 . A A . 12 THR CB 1 1 7 1887 1 1 12 THR CG2 C 5.006 -0.677 -4.048 1.00 . A A . 12 THR CG2 1 1 7 1888 1 1 12 THR H H 5.260 -4.118 -1.987 1.00 . A A . 12 THR H 1 1 7 1889 1 1 12 THR HA H 3.839 -1.564 -1.851 1.00 . A A . 12 THR HA 1 1 7 1890 1 1 12 THR HB H 3.219 -1.786 -4.369 1.00 . A A . 12 THR HB 1 1 7 1891 1 1 12 THR HG1 H 4.642 -2.846 -5.675 1.00 . A A . 12 THR HG1 1 1 7 1892 1 1 12 THR HG21 H 4.673 0.008 -3.283 1.00 . A A . 12 THR HG21 1 1 7 1893 1 1 12 THR HG22 H 6.054 -0.895 -3.903 1.00 . A A . 12 THR HG22 1 1 7 1894 1 1 12 THR HG23 H 4.862 -0.230 -5.020 1.00 . A A . 12 THR HG23 1 1 7 1895 1 1 12 THR N N 5.218 -3.142 -1.873 1.00 . A A . 12 THR N 1 1 7 1896 1 1 12 THR O O 2.796 -4.550 -2.800 1.00 . A A . 12 THR O 1 1 7 1897 1 1 12 THR OG1 O 4.837 -2.990 -4.746 1.00 . A A . 12 THR OG1 1 1 7 1898 1 1 13 ILE C C -0.743 -2.468 -1.001 1.00 . A A . 13 ILE C 1 1 7 1899 1 1 13 ILE CA C 0.392 -3.503 -1.245 1.00 . A A . 13 ILE CA 1 1 7 1900 1 1 13 ILE CB C 0.426 -4.562 -0.019 1.00 . A A . 13 ILE CB 1 1 7 1901 1 1 13 ILE CD1 C 0.568 -4.132 2.580 1.00 . A A . 13 ILE CD1 1 1 7 1902 1 1 13 ILE CG1 C 1.305 -4.125 1.243 1.00 . A A . 13 ILE CG1 1 1 7 1903 1 1 13 ILE CG2 C 0.867 -5.944 -0.541 1.00 . A A . 13 ILE CG2 1 1 7 1904 1 1 13 ILE H H 1.839 -1.911 -1.225 1.00 . A A . 13 ILE H 1 1 7 1905 1 1 13 ILE HA H 0.112 -4.054 -2.137 1.00 . A A . 13 ILE HA 1 1 7 1906 1 1 13 ILE HB H -0.601 -4.677 0.303 1.00 . A A . 13 ILE HB 1 1 7 1907 1 1 13 ILE HD11 H 0.010 -5.052 2.673 1.00 . A A . 13 ILE HD11 1 1 7 1908 1 1 13 ILE HD12 H 1.285 -4.062 3.386 1.00 . A A . 13 ILE HD12 1 1 7 1909 1 1 13 ILE HD13 H -0.110 -3.292 2.624 1.00 . A A . 13 ILE HD13 1 1 7 1910 1 1 13 ILE HG12 H 2.158 -4.780 1.344 1.00 . A A . 13 ILE HG12 1 1 7 1911 1 1 13 ILE HG13 H 1.663 -3.118 1.076 1.00 . A A . 13 ILE HG13 1 1 7 1912 1 1 13 ILE HG21 H 1.839 -5.860 -1.005 1.00 . A A . 13 ILE HG21 1 1 7 1913 1 1 13 ILE HG22 H 0.923 -6.635 0.289 1.00 . A A . 13 ILE HG22 1 1 7 1914 1 1 13 ILE HG23 H 0.149 -6.304 -1.263 1.00 . A A . 13 ILE HG23 1 1 7 1915 1 1 13 ILE N N 1.717 -2.819 -1.581 1.00 . A A . 13 ILE N 1 1 7 1916 1 1 13 ILE O O -0.485 -1.418 -0.342 1.00 . A A . 13 ILE O 1 1 7 1917 1 1 14 THR C C -3.989 -2.225 -0.090 1.00 . A A . 14 THR C 1 1 7 1918 1 1 14 THR CA C -3.247 -1.986 -1.436 1.00 . A A . 14 THR CA 1 1 7 1919 1 1 14 THR CB C -4.273 -2.238 -2.609 1.00 . A A . 14 THR CB 1 1 7 1920 1 1 14 THR CG2 C -3.886 -1.539 -3.897 1.00 . A A . 14 THR CG2 1 1 7 1921 1 1 14 THR H H -2.054 -3.665 -2.025 1.00 . A A . 14 THR H 1 1 7 1922 1 1 14 THR HA H -2.951 -0.947 -1.474 1.00 . A A . 14 THR HA 1 1 7 1923 1 1 14 THR HB H -5.226 -1.826 -2.297 1.00 . A A . 14 THR HB 1 1 7 1924 1 1 14 THR HG1 H -5.332 -3.805 -3.176 1.00 . A A . 14 THR HG1 1 1 7 1925 1 1 14 THR HG21 H -3.369 -0.619 -3.672 1.00 . A A . 14 THR HG21 1 1 7 1926 1 1 14 THR HG22 H -3.246 -2.184 -4.479 1.00 . A A . 14 THR HG22 1 1 7 1927 1 1 14 THR HG23 H -4.785 -1.316 -4.459 1.00 . A A . 14 THR HG23 1 1 7 1928 1 1 14 THR N N -1.985 -2.813 -1.539 1.00 . A A . 14 THR N 1 1 7 1929 1 1 14 THR O O -4.043 -3.403 0.396 1.00 . A A . 14 THR O 1 1 7 1930 1 1 14 THR OG1 O -4.441 -3.640 -2.858 1.00 . A A . 14 THR OG1 1 1 7 1931 1 1 15 LEU C C -6.876 -0.860 1.300 1.00 . A A . 15 LEU C 1 1 7 1932 1 1 15 LEU CA C -5.380 -1.054 1.703 1.00 . A A . 15 LEU CA 1 1 7 1933 1 1 15 LEU CB C -4.829 0.005 2.709 1.00 . A A . 15 LEU CB 1 1 7 1934 1 1 15 LEU CD1 C -3.347 -0.496 4.742 1.00 . A A . 15 LEU CD1 1 1 7 1935 1 1 15 LEU CD2 C -5.645 0.411 5.108 1.00 . A A . 15 LEU CD2 1 1 7 1936 1 1 15 LEU CG C -4.776 -0.464 4.204 1.00 . A A . 15 LEU CG 1 1 7 1937 1 1 15 LEU H H -4.482 -0.240 -0.033 1.00 . A A . 15 LEU H 1 1 7 1938 1 1 15 LEU HA H -5.289 -2.039 2.150 1.00 . A A . 15 LEU HA 1 1 7 1939 1 1 15 LEU HB2 H -3.832 0.278 2.381 1.00 . A A . 15 LEU HB2 1 1 7 1940 1 1 15 LEU HB3 H -5.455 0.883 2.636 1.00 . A A . 15 LEU HB3 1 1 7 1941 1 1 15 LEU HD11 H -2.717 -1.052 4.062 1.00 . A A . 15 LEU HD11 1 1 7 1942 1 1 15 LEU HD12 H -2.973 0.514 4.834 1.00 . A A . 15 LEU HD12 1 1 7 1943 1 1 15 LEU HD13 H -3.336 -0.973 5.711 1.00 . A A . 15 LEU HD13 1 1 7 1944 1 1 15 LEU HD21 H -6.670 0.373 4.770 1.00 . A A . 15 LEU HD21 1 1 7 1945 1 1 15 LEU HD22 H -5.588 0.048 6.124 1.00 . A A . 15 LEU HD22 1 1 7 1946 1 1 15 LEU HD23 H -5.291 1.430 5.071 1.00 . A A . 15 LEU HD23 1 1 7 1947 1 1 15 LEU HG H -5.161 -1.474 4.267 1.00 . A A . 15 LEU HG 1 1 7 1948 1 1 15 LEU N N -4.577 -1.085 0.459 1.00 . A A . 15 LEU N 1 1 7 1949 1 1 15 LEU O O -7.300 0.264 0.856 1.00 . A A . 15 LEU O 1 1 7 1950 1 1 16 GLU C C -9.925 -2.782 2.164 1.00 . A A . 16 GLU C 1 1 7 1951 1 1 16 GLU CA C -9.074 -2.167 1.016 1.00 . A A . 16 GLU CA 1 1 7 1952 1 1 16 GLU CB C -9.195 -3.020 -0.271 1.00 . A A . 16 GLU CB 1 1 7 1953 1 1 16 GLU CD C -9.808 -2.921 -2.753 1.00 . A A . 16 GLU CD 1 1 7 1954 1 1 16 GLU CG C -9.140 -2.214 -1.577 1.00 . A A . 16 GLU CG 1 1 7 1955 1 1 16 GLU H H -7.179 -2.848 1.694 1.00 . A A . 16 GLU H 1 1 7 1956 1 1 16 GLU HA H -9.446 -1.173 0.809 1.00 . A A . 16 GLU HA 1 1 7 1957 1 1 16 GLU HB2 H -8.385 -3.734 -0.288 1.00 . A A . 16 GLU HB2 1 1 7 1958 1 1 16 GLU HB3 H -10.132 -3.556 -0.244 1.00 . A A . 16 GLU HB3 1 1 7 1959 1 1 16 GLU HG2 H -9.637 -1.268 -1.421 1.00 . A A . 16 GLU HG2 1 1 7 1960 1 1 16 GLU HG3 H -8.103 -2.032 -1.830 1.00 . A A . 16 GLU HG3 1 1 7 1961 1 1 16 GLU N N -7.632 -2.028 1.392 1.00 . A A . 16 GLU N 1 1 7 1962 1 1 16 GLU O O -9.416 -3.675 2.913 1.00 . A A . 16 GLU O 1 1 7 1963 1 1 16 GLU OE1 O -11.026 -2.714 -2.963 1.00 . A A . 16 GLU OE1 1 1 7 1964 1 1 16 GLU OE2 O -9.110 -3.671 -3.475 1.00 . A A . 16 GLU OE2 1 1 7 1965 1 1 17 VAL C C -13.014 -3.988 2.864 1.00 . A A . 17 VAL C 1 1 7 1966 1 1 17 VAL CA C -12.255 -2.703 3.299 1.00 . A A . 17 VAL CA 1 1 7 1967 1 1 17 VAL CB C -13.291 -1.556 3.761 1.00 . A A . 17 VAL CB 1 1 7 1968 1 1 17 VAL CG1 C -12.639 -0.624 4.777 1.00 . A A . 17 VAL CG1 1 1 7 1969 1 1 17 VAL CG2 C -13.935 -0.697 2.624 1.00 . A A . 17 VAL CG2 1 1 7 1970 1 1 17 VAL H H -11.498 -1.586 1.628 1.00 . A A . 17 VAL H 1 1 7 1971 1 1 17 VAL HA H -11.684 -2.980 4.179 1.00 . A A . 17 VAL HA 1 1 7 1972 1 1 17 VAL HB H -14.096 -2.060 4.280 1.00 . A A . 17 VAL HB 1 1 7 1973 1 1 17 VAL HG11 H -12.304 -1.196 5.629 1.00 . A A . 17 VAL HG11 1 1 7 1974 1 1 17 VAL HG12 H -11.794 -0.128 4.322 1.00 . A A . 17 VAL HG12 1 1 7 1975 1 1 17 VAL HG13 H -13.357 0.114 5.101 1.00 . A A . 17 VAL HG13 1 1 7 1976 1 1 17 VAL HG21 H -14.472 -1.342 1.946 1.00 . A A . 17 VAL HG21 1 1 7 1977 1 1 17 VAL HG22 H -14.619 0.019 3.057 1.00 . A A . 17 VAL HG22 1 1 7 1978 1 1 17 VAL HG23 H -13.158 -0.175 2.084 1.00 . A A . 17 VAL HG23 1 1 7 1979 1 1 17 VAL N N -11.222 -2.277 2.270 1.00 . A A . 17 VAL N 1 1 7 1980 1 1 17 VAL O O -13.183 -4.884 3.717 1.00 . A A . 17 VAL O 1 1 7 1981 1 1 17 VAL OXT O -13.426 -4.082 1.680 1.00 . A A . 17 VAL OXT 1 1 8 1982 1 1 1 MET C C -11.584 1.748 -1.824 1.00 . A A . 1 MET C 1 1 8 1983 1 1 1 MET CA C -12.870 2.628 -1.840 1.00 . A A . 1 MET CA 1 1 8 1984 1 1 1 MET CB C -13.102 3.292 -0.459 1.00 . A A . 1 MET CB 1 1 8 1985 1 1 1 MET CE C -14.824 6.479 0.132 1.00 . A A . 1 MET CE 1 1 8 1986 1 1 1 MET CG C -12.688 4.764 -0.375 1.00 . A A . 1 MET CG 1 1 8 1987 1 1 1 MET H1 H -13.974 1.402 -3.127 1.00 . A A . 1 MET H1 1 1 8 1988 1 1 1 MET H2 H -14.252 1.096 -1.488 1.00 . A A . 1 MET H2 1 1 8 1989 1 1 1 MET H3 H -14.922 2.468 -2.218 1.00 . A A . 1 MET H3 1 1 8 1990 1 1 1 MET HA H -12.746 3.398 -2.586 1.00 . A A . 1 MET HA 1 1 8 1991 1 1 1 MET HB2 H -14.154 3.232 -0.219 1.00 . A A . 1 MET HB2 1 1 8 1992 1 1 1 MET HB3 H -12.543 2.745 0.287 1.00 . A A . 1 MET HB3 1 1 8 1993 1 1 1 MET HE1 H -15.395 5.754 -0.430 1.00 . A A . 1 MET HE1 1 1 8 1994 1 1 1 MET HE2 H -15.465 6.964 0.853 1.00 . A A . 1 MET HE2 1 1 8 1995 1 1 1 MET HE3 H -14.415 7.217 -0.542 1.00 . A A . 1 MET HE3 1 1 8 1996 1 1 1 MET HG2 H -11.617 4.813 -0.234 1.00 . A A . 1 MET HG2 1 1 8 1997 1 1 1 MET HG3 H -12.950 5.251 -1.303 1.00 . A A . 1 MET HG3 1 1 8 1998 1 1 1 MET N N -14.091 1.843 -2.193 1.00 . A A . 1 MET N 1 1 8 1999 1 1 1 MET O O -11.650 0.540 -1.435 1.00 . A A . 1 MET O 1 1 8 2000 1 1 1 MET SD S -13.487 5.642 0.987 1.00 . A A . 1 MET SD 1 1 8 2001 1 1 2 GLN C C -8.044 2.817 -1.653 1.00 . A A . 2 GLN C 1 1 8 2002 1 1 2 GLN CA C -9.051 1.831 -2.295 1.00 . A A . 2 GLN CA 1 1 8 2003 1 1 2 GLN CB C -8.644 1.464 -3.752 1.00 . A A . 2 GLN CB 1 1 8 2004 1 1 2 GLN CD C -9.165 -0.158 -5.661 1.00 . A A . 2 GLN CD 1 1 8 2005 1 1 2 GLN CG C -8.967 0.023 -4.153 1.00 . A A . 2 GLN CG 1 1 8 2006 1 1 2 GLN H H -10.504 3.359 -2.490 1.00 . A A . 2 GLN H 1 1 8 2007 1 1 2 GLN HA H -9.062 0.931 -1.695 1.00 . A A . 2 GLN HA 1 1 8 2008 1 1 2 GLN HB2 H -9.156 2.125 -4.433 1.00 . A A . 2 GLN HB2 1 1 8 2009 1 1 2 GLN HB3 H -7.577 1.610 -3.858 1.00 . A A . 2 GLN HB3 1 1 8 2010 1 1 2 GLN HE21 H -7.223 -0.595 -5.939 1.00 . A A . 2 GLN HE21 1 1 8 2011 1 1 2 GLN HE22 H -8.208 -0.601 -7.357 1.00 . A A . 2 GLN HE22 1 1 8 2012 1 1 2 GLN HG2 H -8.153 -0.613 -3.838 1.00 . A A . 2 GLN HG2 1 1 8 2013 1 1 2 GLN HG3 H -9.873 -0.282 -3.649 1.00 . A A . 2 GLN HG3 1 1 8 2014 1 1 2 GLN N N -10.424 2.412 -2.236 1.00 . A A . 2 GLN N 1 1 8 2015 1 1 2 GLN NE2 N -8.088 -0.485 -6.392 1.00 . A A . 2 GLN NE2 1 1 8 2016 1 1 2 GLN O O -8.047 4.051 -2.001 1.00 . A A . 2 GLN O 1 1 8 2017 1 1 2 GLN OE1 O -10.281 -0.018 -6.170 1.00 . A A . 2 GLN OE1 1 1 8 2018 1 1 3 ILE C C -4.788 2.269 -0.076 1.00 . A A . 3 ILE C 1 1 8 2019 1 1 3 ILE CA C -6.188 2.979 0.090 1.00 . A A . 3 ILE CA 1 1 8 2020 1 1 3 ILE CB C -6.731 3.278 1.596 1.00 . A A . 3 ILE CB 1 1 8 2021 1 1 3 ILE CD1 C -6.940 5.732 2.465 1.00 . A A . 3 ILE CD1 1 1 8 2022 1 1 3 ILE CG1 C -6.024 4.532 2.232 1.00 . A A . 3 ILE CG1 1 1 8 2023 1 1 3 ILE CG2 C -6.772 2.063 2.586 1.00 . A A . 3 ILE CG2 1 1 8 2024 1 1 3 ILE H H -7.330 1.291 -0.490 1.00 . A A . 3 ILE H 1 1 8 2025 1 1 3 ILE HA H -6.094 3.943 -0.401 1.00 . A A . 3 ILE HA 1 1 8 2026 1 1 3 ILE HB H -7.772 3.539 1.456 1.00 . A A . 3 ILE HB 1 1 8 2027 1 1 3 ILE HD11 H -7.748 5.714 1.746 1.00 . A A . 3 ILE HD11 1 1 8 2028 1 1 3 ILE HD12 H -7.348 5.684 3.464 1.00 . A A . 3 ILE HD12 1 1 8 2029 1 1 3 ILE HD13 H -6.375 6.644 2.349 1.00 . A A . 3 ILE HD13 1 1 8 2030 1 1 3 ILE HG21 H -5.863 1.487 2.487 1.00 . A A . 3 ILE HG21 1 1 8 2031 1 1 3 ILE HG22 H -6.861 2.428 3.600 1.00 . A A . 3 ILE HG22 1 1 8 2032 1 1 3 ILE HG23 H -7.621 1.439 2.353 1.00 . A A . 3 ILE HG23 1 1 8 2033 1 1 3 ILE N N -7.220 2.249 -0.689 1.00 . A A . 3 ILE N 1 1 8 2034 1 1 3 ILE O O -4.657 1.077 0.309 1.00 . A A . 3 ILE O 1 1 8 2035 1 1 4 PHE C C -1.358 3.242 -0.089 1.00 . A A . 4 PHE C 1 1 8 2036 1 1 4 PHE CA C -2.423 2.598 -1.012 1.00 . A A . 4 PHE CA 1 1 8 2037 1 1 4 PHE CB C -2.112 2.901 -2.519 1.00 . A A . 4 PHE CB 1 1 8 2038 1 1 4 PHE CD1 C -3.621 1.421 -4.186 1.00 . A A . 4 PHE CD1 1 1 8 2039 1 1 4 PHE CD2 C -1.056 0.886 -3.913 1.00 . A A . 4 PHE CD2 1 1 8 2040 1 1 4 PHE CE1 C -3.745 0.300 -5.194 1.00 . A A . 4 PHE CE1 1 1 8 2041 1 1 4 PHE CE2 C -1.189 -0.239 -4.917 1.00 . A A . 4 PHE CE2 1 1 8 2042 1 1 4 PHE CG C -2.268 1.738 -3.518 1.00 . A A . 4 PHE CG 1 1 8 2043 1 1 4 PHE CZ C -2.531 -0.531 -5.559 1.00 . A A . 4 PHE CZ 1 1 8 2044 1 1 4 PHE H H -4.063 3.951 -0.979 1.00 . A A . 4 PHE H 1 1 8 2045 1 1 4 PHE HA H -2.389 1.530 -0.869 1.00 . A A . 4 PHE HA 1 1 8 2046 1 1 4 PHE HB2 H -2.770 3.689 -2.849 1.00 . A A . 4 PHE HB2 1 1 8 2047 1 1 4 PHE HB3 H -1.093 3.255 -2.590 1.00 . A A . 4 PHE HB3 1 1 8 2048 1 1 4 PHE HD1 H -4.493 1.999 -3.922 1.00 . A A . 4 PHE HD1 1 1 8 2049 1 1 4 PHE HD2 H -0.097 1.089 -3.458 1.00 . A A . 4 PHE HD2 1 1 8 2050 1 1 4 PHE HE1 H -4.702 0.089 -5.646 1.00 . A A . 4 PHE HE1 1 1 8 2051 1 1 4 PHE HE2 H -0.327 -0.834 -5.177 1.00 . A A . 4 PHE HE2 1 1 8 2052 1 1 4 PHE HZ H -2.622 -1.332 -6.278 1.00 . A A . 4 PHE HZ 1 1 8 2053 1 1 4 PHE N N -3.815 3.043 -0.697 1.00 . A A . 4 PHE N 1 1 8 2054 1 1 4 PHE O O -1.490 4.448 0.282 1.00 . A A . 4 PHE O 1 1 8 2055 1 1 5 VAL C C 2.197 2.179 0.544 1.00 . A A . 5 VAL C 1 1 8 2056 1 1 5 VAL CA C 0.870 2.744 1.136 1.00 . A A . 5 VAL CA 1 1 8 2057 1 1 5 VAL CB C 0.719 2.356 2.696 1.00 . A A . 5 VAL CB 1 1 8 2058 1 1 5 VAL CG1 C -0.132 3.392 3.422 1.00 . A A . 5 VAL CG1 1 1 8 2059 1 1 5 VAL CG2 C 0.160 0.930 3.011 1.00 . A A . 5 VAL CG2 1 1 8 2060 1 1 5 VAL H H -0.327 1.475 -0.104 1.00 . A A . 5 VAL H 1 1 8 2061 1 1 5 VAL HA H 0.954 3.826 1.083 1.00 . A A . 5 VAL HA 1 1 8 2062 1 1 5 VAL HB H 1.711 2.415 3.128 1.00 . A A . 5 VAL HB 1 1 8 2063 1 1 5 VAL HG11 H 0.253 4.380 3.218 1.00 . A A . 5 VAL HG11 1 1 8 2064 1 1 5 VAL HG12 H -1.153 3.325 3.077 1.00 . A A . 5 VAL HG12 1 1 8 2065 1 1 5 VAL HG13 H -0.098 3.205 4.485 1.00 . A A . 5 VAL HG13 1 1 8 2066 1 1 5 VAL HG21 H -0.804 0.808 2.540 1.00 . A A . 5 VAL HG21 1 1 8 2067 1 1 5 VAL HG22 H 0.843 0.184 2.630 1.00 . A A . 5 VAL HG22 1 1 8 2068 1 1 5 VAL HG23 H 0.055 0.811 4.080 1.00 . A A . 5 VAL HG23 1 1 8 2069 1 1 5 VAL N N -0.310 2.389 0.256 1.00 . A A . 5 VAL N 1 1 8 2070 1 1 5 VAL O O 2.230 0.972 0.155 1.00 . A A . 5 VAL O 1 1 8 2071 1 1 6 LYS C C 5.728 2.981 1.030 1.00 . A A . 6 LYS C 1 1 8 2072 1 1 6 LYS CA C 4.617 2.797 -0.050 1.00 . A A . 6 LYS CA 1 1 8 2073 1 1 6 LYS CB C 4.890 3.684 -1.292 1.00 . A A . 6 LYS CB 1 1 8 2074 1 1 6 LYS CD C 5.345 3.644 -3.811 1.00 . A A . 6 LYS CD 1 1 8 2075 1 1 6 LYS CE C 6.496 3.412 -4.786 1.00 . A A . 6 LYS CE 1 1 8 2076 1 1 6 LYS CG C 5.586 2.957 -2.459 1.00 . A A . 6 LYS CG 1 1 8 2077 1 1 6 LYS H H 3.087 4.000 0.813 1.00 . A A . 6 LYS H 1 1 8 2078 1 1 6 LYS HA H 4.619 1.760 -0.355 1.00 . A A . 6 LYS HA 1 1 8 2079 1 1 6 LYS HB2 H 3.947 4.072 -1.647 1.00 . A A . 6 LYS HB2 1 1 8 2080 1 1 6 LYS HB3 H 5.516 4.512 -0.991 1.00 . A A . 6 LYS HB3 1 1 8 2081 1 1 6 LYS HD2 H 4.441 3.243 -4.244 1.00 . A A . 6 LYS HD2 1 1 8 2082 1 1 6 LYS HD3 H 5.228 4.708 -3.657 1.00 . A A . 6 LYS HD3 1 1 8 2083 1 1 6 LYS HE2 H 7.354 3.977 -4.449 1.00 . A A . 6 LYS HE2 1 1 8 2084 1 1 6 LYS HE3 H 6.738 2.360 -4.793 1.00 . A A . 6 LYS HE3 1 1 8 2085 1 1 6 LYS HG2 H 6.647 2.929 -2.257 1.00 . A A . 6 LYS HG2 1 1 8 2086 1 1 6 LYS HG3 H 5.207 1.946 -2.509 1.00 . A A . 6 LYS HG3 1 1 8 2087 1 1 6 LYS HZ1 H 5.892 4.849 -6.177 1.00 . A A . 6 LYS HZ1 1 1 8 2088 1 1 6 LYS HZ2 H 6.958 3.694 -6.803 1.00 . A A . 6 LYS HZ2 1 1 8 2089 1 1 6 LYS HZ3 H 5.341 3.286 -6.522 1.00 . A A . 6 LYS HZ3 1 1 8 2090 1 1 6 LYS N N 3.249 3.088 0.485 1.00 . A A . 6 LYS N 1 1 8 2091 1 1 6 LYS NZ N 6.148 3.840 -6.169 1.00 . A A . 6 LYS NZ 1 1 8 2092 1 1 6 LYS O O 5.630 3.910 1.886 1.00 . A A . 6 LYS O 1 1 8 2093 1 1 7 THR C C 9.299 2.190 1.011 1.00 . A A . 7 THR C 1 1 8 2094 1 1 7 THR CA C 7.986 1.994 1.825 1.00 . A A . 7 THR CA 1 1 8 2095 1 1 7 THR CB C 8.082 0.650 2.637 1.00 . A A . 7 THR CB 1 1 8 2096 1 1 7 THR CG2 C 7.163 0.642 3.862 1.00 . A A . 7 THR CG2 1 1 8 2097 1 1 7 THR H H 6.722 1.392 0.212 1.00 . A A . 7 THR H 1 1 8 2098 1 1 7 THR HA H 7.907 2.806 2.535 1.00 . A A . 7 THR HA 1 1 8 2099 1 1 7 THR HB H 9.099 0.551 2.985 1.00 . A A . 7 THR HB 1 1 8 2100 1 1 7 THR HG1 H 8.583 -0.779 1.373 1.00 . A A . 7 THR HG1 1 1 8 2101 1 1 7 THR HG21 H 6.238 1.146 3.624 1.00 . A A . 7 THR HG21 1 1 8 2102 1 1 7 THR HG22 H 6.953 -0.380 4.147 1.00 . A A . 7 THR HG22 1 1 8 2103 1 1 7 THR HG23 H 7.650 1.152 4.681 1.00 . A A . 7 THR HG23 1 1 8 2104 1 1 7 THR N N 6.770 2.061 0.931 1.00 . A A . 7 THR N 1 1 8 2105 1 1 7 THR O O 9.379 1.729 -0.169 1.00 . A A . 7 THR O 1 1 8 2106 1 1 7 THR OG1 O 7.782 -0.478 1.807 1.00 . A A . 7 THR OG1 1 1 8 2107 1 1 8 LEU C C 12.615 1.944 0.876 1.00 . A A . 8 LEU C 1 1 8 2108 1 1 8 LEU CA C 11.699 3.208 1.123 1.00 . A A . 8 LEU CA 1 1 8 2109 1 1 8 LEU CB C 12.405 4.235 2.061 1.00 . A A . 8 LEU CB 1 1 8 2110 1 1 8 LEU CD1 C 11.474 6.586 2.548 1.00 . A A . 8 LEU CD1 1 1 8 2111 1 1 8 LEU CD2 C 13.714 6.357 1.453 1.00 . A A . 8 LEU CD2 1 1 8 2112 1 1 8 LEU CG C 12.325 5.734 1.600 1.00 . A A . 8 LEU CG 1 1 8 2113 1 1 8 LEU H H 10.127 3.180 2.600 1.00 . A A . 8 LEU H 1 1 8 2114 1 1 8 LEU HA H 11.539 3.682 0.165 1.00 . A A . 8 LEU HA 1 1 8 2115 1 1 8 LEU HB2 H 11.962 4.139 3.045 1.00 . A A . 8 LEU HB2 1 1 8 2116 1 1 8 LEU HB3 H 13.444 3.944 2.135 1.00 . A A . 8 LEU HB3 1 1 8 2117 1 1 8 LEU HD11 H 11.849 6.486 3.556 1.00 . A A . 8 LEU HD11 1 1 8 2118 1 1 8 LEU HD12 H 11.526 7.622 2.245 1.00 . A A . 8 LEU HD12 1 1 8 2119 1 1 8 LEU HD13 H 10.448 6.250 2.510 1.00 . A A . 8 LEU HD13 1 1 8 2120 1 1 8 LEU HD21 H 14.307 5.759 0.779 1.00 . A A . 8 LEU HD21 1 1 8 2121 1 1 8 LEU HD22 H 13.619 7.358 1.058 1.00 . A A . 8 LEU HD22 1 1 8 2122 1 1 8 LEU HD23 H 14.195 6.395 2.420 1.00 . A A . 8 LEU HD23 1 1 8 2123 1 1 8 LEU HG H 11.850 5.772 0.628 1.00 . A A . 8 LEU HG 1 1 8 2124 1 1 8 LEU N N 10.320 2.881 1.681 1.00 . A A . 8 LEU N 1 1 8 2125 1 1 8 LEU O O 13.582 2.041 0.057 1.00 . A A . 8 LEU O 1 1 8 2126 1 1 9 ASP C C 12.725 -1.301 0.124 1.00 . A A . 9 ASP C 1 1 8 2127 1 1 9 ASP CA C 12.967 -0.567 1.480 1.00 . A A . 9 ASP CA 1 1 8 2128 1 1 9 ASP CB C 12.561 -1.478 2.667 1.00 . A A . 9 ASP CB 1 1 8 2129 1 1 9 ASP CG C 13.444 -1.294 3.896 1.00 . A A . 9 ASP CG 1 1 8 2130 1 1 9 ASP H H 11.468 0.820 2.148 1.00 . A A . 9 ASP H 1 1 8 2131 1 1 9 ASP HA H 14.026 -0.364 1.558 1.00 . A A . 9 ASP HA 1 1 8 2132 1 1 9 ASP HB2 H 11.543 -1.255 2.948 1.00 . A A . 9 ASP HB2 1 1 8 2133 1 1 9 ASP HB3 H 12.622 -2.510 2.354 1.00 . A A . 9 ASP HB3 1 1 8 2134 1 1 9 ASP N N 12.260 0.773 1.568 1.00 . A A . 9 ASP N 1 1 8 2135 1 1 9 ASP O O 13.697 -1.924 -0.387 1.00 . A A . 9 ASP O 1 1 8 2136 1 1 9 ASP OD1 O 13.110 -0.441 4.751 1.00 . A A . 9 ASP OD1 1 1 8 2137 1 1 9 ASP OD2 O 14.464 -2.012 4.012 1.00 . A A . 9 ASP OD2 1 1 8 2138 1 1 10 GLY C C 9.820 -2.742 -1.594 1.00 . A A . 10 GLY C 1 1 8 2139 1 1 10 GLY CA C 11.006 -1.789 -1.721 1.00 . A A . 10 GLY CA 1 1 8 2140 1 1 10 GLY H H 10.777 -0.655 0.071 1.00 . A A . 10 GLY H 1 1 8 2141 1 1 10 GLY HA2 H 11.842 -2.330 -2.142 1.00 . A A . 10 GLY HA2 1 1 8 2142 1 1 10 GLY HA3 H 10.735 -0.995 -2.398 1.00 . A A . 10 GLY HA3 1 1 8 2143 1 1 10 GLY N N 11.437 -1.186 -0.428 1.00 . A A . 10 GLY N 1 1 8 2144 1 1 10 GLY O O 9.935 -3.895 -2.084 1.00 . A A . 10 GLY O 1 1 8 2145 1 1 11 LYS C C 6.160 -2.063 -0.982 1.00 . A A . 11 LYS C 1 1 8 2146 1 1 11 LYS CA C 7.397 -2.968 -0.708 1.00 . A A . 11 LYS CA 1 1 8 2147 1 1 11 LYS CB C 7.331 -3.539 0.740 1.00 . A A . 11 LYS CB 1 1 8 2148 1 1 11 LYS CD C 8.877 -5.388 1.717 1.00 . A A . 11 LYS CD 1 1 8 2149 1 1 11 LYS CE C 8.553 -6.187 2.988 1.00 . A A . 11 LYS CE 1 1 8 2150 1 1 11 LYS CG C 7.622 -5.056 0.861 1.00 . A A . 11 LYS CG 1 1 8 2151 1 1 11 LYS H H 8.734 -1.305 -0.614 1.00 . A A . 11 LYS H 1 1 8 2152 1 1 11 LYS HA H 7.369 -3.790 -1.411 1.00 . A A . 11 LYS HA 1 1 8 2153 1 1 11 LYS HB2 H 8.039 -2.998 1.350 1.00 . A A . 11 LYS HB2 1 1 8 2154 1 1 11 LYS HB3 H 6.339 -3.361 1.131 1.00 . A A . 11 LYS HB3 1 1 8 2155 1 1 11 LYS HD2 H 9.553 -5.974 1.115 1.00 . A A . 11 LYS HD2 1 1 8 2156 1 1 11 LYS HD3 H 9.371 -4.468 2.004 1.00 . A A . 11 LYS HD3 1 1 8 2157 1 1 11 LYS HE2 H 9.292 -5.953 3.739 1.00 . A A . 11 LYS HE2 1 1 8 2158 1 1 11 LYS HE3 H 7.574 -5.896 3.346 1.00 . A A . 11 LYS HE3 1 1 8 2159 1 1 11 LYS HG2 H 6.756 -5.528 1.303 1.00 . A A . 11 LYS HG2 1 1 8 2160 1 1 11 LYS HG3 H 7.768 -5.465 -0.132 1.00 . A A . 11 LYS HG3 1 1 8 2161 1 1 11 LYS HZ1 H 9.468 -7.938 2.306 1.00 . A A . 11 LYS HZ1 1 1 8 2162 1 1 11 LYS HZ2 H 8.451 -8.170 3.639 1.00 . A A . 11 LYS HZ2 1 1 8 2163 1 1 11 LYS HZ3 H 7.788 -7.918 2.103 1.00 . A A . 11 LYS HZ3 1 1 8 2164 1 1 11 LYS N N 8.691 -2.230 -0.942 1.00 . A A . 11 LYS N 1 1 8 2165 1 1 11 LYS NZ N 8.566 -7.656 2.742 1.00 . A A . 11 LYS NZ 1 1 8 2166 1 1 11 LYS O O 6.190 -0.837 -0.645 1.00 . A A . 11 LYS O 1 1 8 2167 1 1 12 THR C C 2.595 -3.038 -1.592 1.00 . A A . 12 THR C 1 1 8 2168 1 1 12 THR CA C 3.767 -2.083 -1.955 1.00 . A A . 12 THR CA 1 1 8 2169 1 1 12 THR CB C 3.668 -1.641 -3.467 1.00 . A A . 12 THR CB 1 1 8 2170 1 1 12 THR CG2 C 4.363 -0.300 -3.717 1.00 . A A . 12 THR CG2 1 1 8 2171 1 1 12 THR H H 5.187 -3.671 -1.797 1.00 . A A . 12 THR H 1 1 8 2172 1 1 12 THR HA H 3.666 -1.194 -1.344 1.00 . A A . 12 THR HA 1 1 8 2173 1 1 12 THR HB H 2.621 -1.524 -3.705 1.00 . A A . 12 THR HB 1 1 8 2174 1 1 12 THR HG1 H 3.593 -3.357 -4.445 1.00 . A A . 12 THR HG1 1 1 8 2175 1 1 12 THR HG21 H 3.912 0.461 -3.098 1.00 . A A . 12 THR HG21 1 1 8 2176 1 1 12 THR HG22 H 5.412 -0.386 -3.474 1.00 . A A . 12 THR HG22 1 1 8 2177 1 1 12 THR HG23 H 4.256 -0.028 -4.757 1.00 . A A . 12 THR HG23 1 1 8 2178 1 1 12 THR N N 5.086 -2.714 -1.592 1.00 . A A . 12 THR N 1 1 8 2179 1 1 12 THR O O 2.630 -4.255 -1.970 1.00 . A A . 12 THR O 1 1 8 2180 1 1 12 THR OG1 O 4.221 -2.639 -4.340 1.00 . A A . 12 THR OG1 1 1 8 2181 1 1 13 ILE C C -0.877 -2.189 -0.178 1.00 . A A . 13 ILE C 1 1 8 2182 1 1 13 ILE CA C 0.331 -3.162 -0.309 1.00 . A A . 13 ILE CA 1 1 8 2183 1 1 13 ILE CB C 0.511 -4.001 1.063 1.00 . A A . 13 ILE CB 1 1 8 2184 1 1 13 ILE CD1 C 0.546 -3.155 3.560 1.00 . A A . 13 ILE CD1 1 1 8 2185 1 1 13 ILE CG1 C 1.301 -3.249 2.235 1.00 . A A . 13 ILE CG1 1 1 8 2186 1 1 13 ILE CG2 C 1.160 -5.364 0.755 1.00 . A A . 13 ILE CG2 1 1 8 2187 1 1 13 ILE H H 1.684 -1.510 -0.576 1.00 . A A . 13 ILE H 1 1 8 2188 1 1 13 ILE HA H 0.063 -3.874 -1.081 1.00 . A A . 13 ILE HA 1 1 8 2189 1 1 13 ILE HB H -0.490 -4.219 1.412 1.00 . A A . 13 ILE HB 1 1 8 2190 1 1 13 ILE HD11 H 0.154 -4.128 3.814 1.00 . A A . 13 ILE HD11 1 1 8 2191 1 1 13 ILE HD12 H 1.221 -2.824 4.336 1.00 . A A . 13 ILE HD12 1 1 8 2192 1 1 13 ILE HD13 H -0.267 -2.450 3.464 1.00 . A A . 13 ILE HD13 1 1 8 2193 1 1 13 ILE HG12 H 2.236 -3.751 2.432 1.00 . A A . 13 ILE HG12 1 1 8 2194 1 1 13 ILE HG13 H 1.511 -2.240 1.911 1.00 . A A . 13 ILE HG13 1 1 8 2195 1 1 13 ILE HG21 H 2.115 -5.209 0.275 1.00 . A A . 13 ILE HG21 1 1 8 2196 1 1 13 ILE HG22 H 1.305 -5.906 1.678 1.00 . A A . 13 ILE HG22 1 1 8 2197 1 1 13 ILE HG23 H 0.515 -5.931 0.101 1.00 . A A . 13 ILE HG23 1 1 8 2198 1 1 13 ILE N N 1.582 -2.456 -0.822 1.00 . A A . 13 ILE N 1 1 8 2199 1 1 13 ILE O O -0.683 -1.033 0.297 1.00 . A A . 13 ILE O 1 1 8 2200 1 1 14 THR C C -4.492 -2.767 0.307 1.00 . A A . 14 THR C 1 1 8 2201 1 1 14 THR CA C -3.421 -1.988 -0.545 1.00 . A A . 14 THR CA 1 1 8 2202 1 1 14 THR CB C -3.951 -1.534 -2.000 1.00 . A A . 14 THR CB 1 1 8 2203 1 1 14 THR CG2 C -4.206 -2.662 -3.046 1.00 . A A . 14 THR CG2 1 1 8 2204 1 1 14 THR H H -2.114 -3.637 -0.926 1.00 . A A . 14 THR H 1 1 8 2205 1 1 14 THR HA H -3.216 -1.074 0.003 1.00 . A A . 14 THR HA 1 1 8 2206 1 1 14 THR HB H -3.194 -0.878 -2.413 1.00 . A A . 14 THR HB 1 1 8 2207 1 1 14 THR HG1 H -5.195 -0.119 -2.607 1.00 . A A . 14 THR HG1 1 1 8 2208 1 1 14 THR HG21 H -3.349 -3.316 -3.086 1.00 . A A . 14 THR HG21 1 1 8 2209 1 1 14 THR HG22 H -5.081 -3.227 -2.762 1.00 . A A . 14 THR HG22 1 1 8 2210 1 1 14 THR HG23 H -4.367 -2.213 -4.018 1.00 . A A . 14 THR HG23 1 1 8 2211 1 1 14 THR N N -2.100 -2.713 -0.590 1.00 . A A . 14 THR N 1 1 8 2212 1 1 14 THR O O -4.489 -4.032 0.306 1.00 . A A . 14 THR O 1 1 8 2213 1 1 14 THR OG1 O -5.153 -0.750 -1.885 1.00 . A A . 14 THR OG1 1 1 8 2214 1 1 15 LEU C C -7.862 -1.841 1.363 1.00 . A A . 15 LEU C 1 1 8 2215 1 1 15 LEU CA C -6.502 -2.405 1.859 1.00 . A A . 15 LEU CA 1 1 8 2216 1 1 15 LEU CB C -6.220 -2.019 3.333 1.00 . A A . 15 LEU CB 1 1 8 2217 1 1 15 LEU CD1 C -5.344 -3.556 5.193 1.00 . A A . 15 LEU CD1 1 1 8 2218 1 1 15 LEU CD2 C -7.665 -2.640 5.361 1.00 . A A . 15 LEU CD2 1 1 8 2219 1 1 15 LEU CG C -6.573 -3.115 4.398 1.00 . A A . 15 LEU CG 1 1 8 2220 1 1 15 LEU H H -5.275 -0.976 0.884 1.00 . A A . 15 LEU H 1 1 8 2221 1 1 15 LEU HA H -6.540 -3.483 1.785 1.00 . A A . 15 LEU HA 1 1 8 2222 1 1 15 LEU HB2 H -5.163 -1.776 3.405 1.00 . A A . 15 LEU HB2 1 1 8 2223 1 1 15 LEU HB3 H -6.781 -1.121 3.549 1.00 . A A . 15 LEU HB3 1 1 8 2224 1 1 15 LEU HD11 H -4.907 -2.699 5.685 1.00 . A A . 15 LEU HD11 1 1 8 2225 1 1 15 LEU HD12 H -5.636 -4.285 5.933 1.00 . A A . 15 LEU HD12 1 1 8 2226 1 1 15 LEU HD13 H -4.620 -3.993 4.522 1.00 . A A . 15 LEU HD13 1 1 8 2227 1 1 15 LEU HD21 H -8.492 -2.236 4.796 1.00 . A A . 15 LEU HD21 1 1 8 2228 1 1 15 LEU HD22 H -8.008 -3.474 5.956 1.00 . A A . 15 LEU HD22 1 1 8 2229 1 1 15 LEU HD23 H -7.265 -1.876 6.010 1.00 . A A . 15 LEU HD23 1 1 8 2230 1 1 15 LEU HG H -6.951 -3.990 3.887 1.00 . A A . 15 LEU HG 1 1 8 2231 1 1 15 LEU N N -5.380 -1.947 0.989 1.00 . A A . 15 LEU N 1 1 8 2232 1 1 15 LEU O O -7.945 -0.623 0.990 1.00 . A A . 15 LEU O 1 1 8 2233 1 1 16 GLU C C -11.356 -2.882 1.981 1.00 . A A . 16 GLU C 1 1 8 2234 1 1 16 GLU CA C -10.307 -2.491 0.901 1.00 . A A . 16 GLU CA 1 1 8 2235 1 1 16 GLU CB C -10.593 -3.225 -0.430 1.00 . A A . 16 GLU CB 1 1 8 2236 1 1 16 GLU CD C -10.908 -2.925 -2.953 1.00 . A A . 16 GLU CD 1 1 8 2237 1 1 16 GLU CG C -10.221 -2.424 -1.685 1.00 . A A . 16 GLU CG 1 1 8 2238 1 1 16 GLU H H -8.707 -3.683 1.648 1.00 . A A . 16 GLU H 1 1 8 2239 1 1 16 GLU HA H -10.383 -1.425 0.733 1.00 . A A . 16 GLU HA 1 1 8 2240 1 1 16 GLU HB2 H -10.033 -4.148 -0.442 1.00 . A A . 16 GLU HB2 1 1 8 2241 1 1 16 GLU HB3 H -11.647 -3.456 -0.478 1.00 . A A . 16 GLU HB3 1 1 8 2242 1 1 16 GLU HG2 H -10.501 -1.393 -1.532 1.00 . A A . 16 GLU HG2 1 1 8 2243 1 1 16 GLU HG3 H -9.151 -2.483 -1.829 1.00 . A A . 16 GLU HG3 1 1 8 2244 1 1 16 GLU N N -8.904 -2.767 1.350 1.00 . A A . 16 GLU N 1 1 8 2245 1 1 16 GLU O O -11.170 -3.918 2.693 1.00 . A A . 16 GLU O 1 1 8 2246 1 1 16 GLU OE1 O -12.017 -2.432 -3.268 1.00 . A A . 16 GLU OE1 1 1 8 2247 1 1 16 GLU OE2 O -10.331 -3.799 -3.641 1.00 . A A . 16 GLU OE2 1 1 8 2248 1 1 17 VAL C C -14.892 -2.670 2.318 1.00 . A A . 17 VAL C 1 1 8 2249 1 1 17 VAL CA C -13.611 -2.161 3.033 1.00 . A A . 17 VAL CA 1 1 8 2250 1 1 17 VAL CB C -13.934 -0.858 3.930 1.00 . A A . 17 VAL CB 1 1 8 2251 1 1 17 VAL CG1 C -12.966 -0.765 5.105 1.00 . A A . 17 VAL CG1 1 1 8 2252 1 1 17 VAL CG2 C -13.962 0.516 3.184 1.00 . A A . 17 VAL CG2 1 1 8 2253 1 1 17 VAL H H -12.473 -1.246 1.461 1.00 . A A . 17 VAL H 1 1 8 2254 1 1 17 VAL HA H -13.320 -2.948 3.718 1.00 . A A . 17 VAL HA 1 1 8 2255 1 1 17 VAL HB H -14.917 -1.014 4.354 1.00 . A A . 17 VAL HB 1 1 8 2256 1 1 17 VAL HG11 H -11.954 -0.702 4.734 1.00 . A A . 17 VAL HG11 1 1 8 2257 1 1 17 VAL HG12 H -13.192 0.115 5.687 1.00 . A A . 17 VAL HG12 1 1 8 2258 1 1 17 VAL HG13 H -13.068 -1.643 5.725 1.00 . A A . 17 VAL HG13 1 1 8 2259 1 1 17 VAL HG21 H -14.583 0.436 2.304 1.00 . A A . 17 VAL HG21 1 1 8 2260 1 1 17 VAL HG22 H -14.362 1.275 3.841 1.00 . A A . 17 VAL HG22 1 1 8 2261 1 1 17 VAL HG23 H -12.958 0.787 2.892 1.00 . A A . 17 VAL HG23 1 1 8 2262 1 1 17 VAL N N -12.447 -2.017 2.070 1.00 . A A . 17 VAL N 1 1 8 2263 1 1 17 VAL O O -15.222 -2.160 1.217 1.00 . A A . 17 VAL O 1 1 8 2264 1 1 17 VAL OXT O -15.548 -3.577 2.873 1.00 . A A . 17 VAL OXT 1 1 9 2265 1 1 1 MET C C -11.541 1.632 -1.622 1.00 . A A . 1 MET C 1 1 9 2266 1 1 1 MET CA C -12.842 2.486 -1.577 1.00 . A A . 1 MET CA 1 1 9 2267 1 1 1 MET CB C -13.050 3.102 -0.169 1.00 . A A . 1 MET CB 1 1 9 2268 1 1 1 MET CE C -12.354 5.446 2.572 1.00 . A A . 1 MET CE 1 1 9 2269 1 1 1 MET CG C -12.670 4.581 -0.053 1.00 . A A . 1 MET CG 1 1 9 2270 1 1 1 MET H1 H -13.939 1.250 -2.860 1.00 . A A . 1 MET H1 1 1 9 2271 1 1 1 MET H2 H -14.209 0.944 -1.218 1.00 . A A . 1 MET H2 1 1 9 2272 1 1 1 MET H3 H -14.893 2.307 -1.948 1.00 . A A . 1 MET H3 1 1 9 2273 1 1 1 MET HA H -12.752 3.282 -2.302 1.00 . A A . 1 MET HA 1 1 9 2274 1 1 1 MET HB2 H -14.088 3.005 0.101 1.00 . A A . 1 MET HB2 1 1 9 2275 1 1 1 MET HB3 H -12.450 2.550 0.542 1.00 . A A . 1 MET HB3 1 1 9 2276 1 1 1 MET HE1 H -11.872 4.479 2.618 1.00 . A A . 1 MET HE1 1 1 9 2277 1 1 1 MET HE2 H -11.616 6.208 2.373 1.00 . A A . 1 MET HE2 1 1 9 2278 1 1 1 MET HE3 H -12.841 5.653 3.514 1.00 . A A . 1 MET HE3 1 1 9 2279 1 1 1 MET HG2 H -11.612 4.649 0.158 1.00 . A A . 1 MET HG2 1 1 9 2280 1 1 1 MET HG3 H -12.879 5.068 -0.994 1.00 . A A . 1 MET HG3 1 1 9 2281 1 1 1 MET N N -14.057 1.691 -1.926 1.00 . A A . 1 MET N 1 1 9 2282 1 1 1 MET O O -11.573 0.411 -1.267 1.00 . A A . 1 MET O 1 1 9 2283 1 1 1 MET SD S -13.574 5.435 1.257 1.00 . A A . 1 MET SD 1 1 9 2284 1 1 2 GLN C C -8.021 2.768 -1.520 1.00 . A A . 2 GLN C 1 1 9 2285 1 1 2 GLN CA C -9.026 1.780 -2.163 1.00 . A A . 2 GLN CA 1 1 9 2286 1 1 2 GLN CB C -8.652 1.464 -3.640 1.00 . A A . 2 GLN CB 1 1 9 2287 1 1 2 GLN CD C -9.148 -0.126 -5.581 1.00 . A A . 2 GLN CD 1 1 9 2288 1 1 2 GLN CG C -8.950 0.027 -4.071 1.00 . A A . 2 GLN CG 1 1 9 2289 1 1 2 GLN H H -10.513 3.282 -2.272 1.00 . A A . 2 GLN H 1 1 9 2290 1 1 2 GLN HA H -9.001 0.862 -1.588 1.00 . A A . 2 GLN HA 1 1 9 2291 1 1 2 GLN HB2 H -9.203 2.129 -4.287 1.00 . A A . 2 GLN HB2 1 1 9 2292 1 1 2 GLN HB3 H -7.594 1.642 -3.773 1.00 . A A . 2 GLN HB3 1 1 9 2293 1 1 2 GLN HE21 H -7.197 -0.516 -5.874 1.00 . A A . 2 GLN HE21 1 1 9 2294 1 1 2 GLN HE22 H -8.188 -0.514 -7.289 1.00 . A A . 2 GLN HE22 1 1 9 2295 1 1 2 GLN HG2 H -8.123 -0.600 -3.771 1.00 . A A . 2 GLN HG2 1 1 9 2296 1 1 2 GLN HG3 H -9.848 -0.304 -3.571 1.00 . A A . 2 GLN HG3 1 1 9 2297 1 1 2 GLN N N -10.407 2.331 -2.047 1.00 . A A . 2 GLN N 1 1 9 2298 1 1 2 GLN NE2 N -8.067 -0.415 -6.322 1.00 . A A . 2 GLN NE2 1 1 9 2299 1 1 2 GLN O O -8.058 4.012 -1.833 1.00 . A A . 2 GLN O 1 1 9 2300 1 1 2 GLN OE1 O -10.269 -0.001 -6.084 1.00 . A A . 2 GLN OE1 1 1 9 2301 1 1 3 ILE C C -4.710 2.254 -0.057 1.00 . A A . 3 ILE C 1 1 9 2302 1 1 3 ILE CA C -6.122 2.922 0.171 1.00 . A A . 3 ILE CA 1 1 9 2303 1 1 3 ILE CB C -6.623 3.165 1.702 1.00 . A A . 3 ILE CB 1 1 9 2304 1 1 3 ILE CD1 C -6.861 5.587 2.656 1.00 . A A . 3 ILE CD1 1 1 9 2305 1 1 3 ILE CG1 C -5.925 4.419 2.351 1.00 . A A . 3 ILE CG1 1 1 9 2306 1 1 3 ILE CG2 C -6.600 1.923 2.659 1.00 . A A . 3 ILE CG2 1 1 9 2307 1 1 3 ILE H H -7.243 1.226 -0.422 1.00 . A A . 3 ILE H 1 1 9 2308 1 1 3 ILE HA H -6.065 3.902 -0.292 1.00 . A A . 3 ILE HA 1 1 9 2309 1 1 3 ILE HB H -7.673 3.404 1.603 1.00 . A A . 3 ILE HB 1 1 9 2310 1 1 3 ILE HD11 H -7.715 5.550 1.993 1.00 . A A . 3 ILE HD11 1 1 9 2311 1 1 3 ILE HD12 H -7.198 5.518 3.680 1.00 . A A . 3 ILE HD12 1 1 9 2312 1 1 3 ILE HD13 H -6.334 6.518 2.511 1.00 . A A . 3 ILE HD13 1 1 9 2313 1 1 3 ILE HG21 H -5.682 1.373 2.513 1.00 . A A . 3 ILE HG21 1 1 9 2314 1 1 3 ILE HG22 H -6.665 2.256 3.684 1.00 . A A . 3 ILE HG22 1 1 9 2315 1 1 3 ILE HG23 H -7.441 1.283 2.435 1.00 . A A . 3 ILE HG23 1 1 9 2316 1 1 3 ILE N N -7.159 2.191 -0.597 1.00 . A A . 3 ILE N 1 1 9 2317 1 1 3 ILE O O -4.533 1.055 0.293 1.00 . A A . 3 ILE O 1 1 9 2318 1 1 4 PHE C C -1.316 3.363 -0.161 1.00 . A A . 4 PHE C 1 1 9 2319 1 1 4 PHE CA C -2.383 2.676 -1.052 1.00 . A A . 4 PHE CA 1 1 9 2320 1 1 4 PHE CB C -2.140 2.989 -2.569 1.00 . A A . 4 PHE CB 1 1 9 2321 1 1 4 PHE CD1 C -3.714 1.491 -4.163 1.00 . A A . 4 PHE CD1 1 1 9 2322 1 1 4 PHE CD2 C -1.125 1.012 -4.041 1.00 . A A . 4 PHE CD2 1 1 9 2323 1 1 4 PHE CE1 C -3.871 0.379 -5.176 1.00 . A A . 4 PHE CE1 1 1 9 2324 1 1 4 PHE CE2 C -1.291 -0.105 -5.050 1.00 . A A . 4 PHE CE2 1 1 9 2325 1 1 4 PHE CG C -2.330 1.830 -3.569 1.00 . A A . 4 PHE CG 1 1 9 2326 1 1 4 PHE CZ C -2.661 -0.421 -5.619 1.00 . A A . 4 PHE CZ 1 1 9 2327 1 1 4 PHE H H -4.058 3.979 -0.933 1.00 . A A . 4 PHE H 1 1 9 2328 1 1 4 PHE HA H -2.304 1.609 -0.908 1.00 . A A . 4 PHE HA 1 1 9 2329 1 1 4 PHE HB2 H -2.816 3.773 -2.866 1.00 . A A . 4 PHE HB2 1 1 9 2330 1 1 4 PHE HB3 H -1.127 3.350 -2.681 1.00 . A A . 4 PHE HB3 1 1 9 2331 1 1 4 PHE HD1 H -4.582 2.046 -3.843 1.00 . A A . 4 PHE HD1 1 1 9 2332 1 1 4 PHE HD2 H -0.148 1.232 -3.640 1.00 . A A . 4 PHE HD2 1 1 9 2333 1 1 4 PHE HE1 H -4.846 0.150 -5.576 1.00 . A A . 4 PHE HE1 1 1 9 2334 1 1 4 PHE HE2 H -0.431 -0.675 -5.366 1.00 . A A . 4 PHE HE2 1 1 9 2335 1 1 4 PHE HZ H -2.775 -1.215 -6.342 1.00 . A A . 4 PHE HZ 1 1 9 2336 1 1 4 PHE N N -3.777 3.070 -0.685 1.00 . A A . 4 PHE N 1 1 9 2337 1 1 4 PHE O O -1.470 4.575 0.188 1.00 . A A . 4 PHE O 1 1 9 2338 1 1 5 VAL C C 2.255 2.301 0.503 1.00 . A A . 5 VAL C 1 1 9 2339 1 1 5 VAL CA C 0.940 2.943 1.039 1.00 . A A . 5 VAL CA 1 1 9 2340 1 1 5 VAL CB C 0.775 2.690 2.626 1.00 . A A . 5 VAL CB 1 1 9 2341 1 1 5 VAL CG1 C -0.050 3.804 3.258 1.00 . A A . 5 VAL CG1 1 1 9 2342 1 1 5 VAL CG2 C 0.178 1.310 3.055 1.00 . A A . 5 VAL CG2 1 1 9 2343 1 1 5 VAL H H -0.248 1.618 -0.153 1.00 . A A . 5 VAL H 1 1 9 2344 1 1 5 VAL HA H 1.048 4.014 0.897 1.00 . A A . 5 VAL HA 1 1 9 2345 1 1 5 VAL HB H 1.767 2.759 3.056 1.00 . A A . 5 VAL HB 1 1 9 2346 1 1 5 VAL HG11 H 0.358 4.762 2.973 1.00 . A A . 5 VAL HG11 1 1 9 2347 1 1 5 VAL HG12 H -1.073 3.733 2.917 1.00 . A A . 5 VAL HG12 1 1 9 2348 1 1 5 VAL HG13 H -0.023 3.707 4.333 1.00 . A A . 5 VAL HG13 1 1 9 2349 1 1 5 VAL HG21 H 0.726 0.514 2.568 1.00 . A A . 5 VAL HG21 1 1 9 2350 1 1 5 VAL HG22 H 0.260 1.199 4.126 1.00 . A A . 5 VAL HG22 1 1 9 2351 1 1 5 VAL HG23 H -0.862 1.262 2.767 1.00 . A A . 5 VAL HG23 1 1 9 2352 1 1 5 VAL N N -0.245 2.542 0.185 1.00 . A A . 5 VAL N 1 1 9 2353 1 1 5 VAL O O 2.264 1.065 0.220 1.00 . A A . 5 VAL O 1 1 9 2354 1 1 6 LYS C C 5.797 3.042 0.934 1.00 . A A . 6 LYS C 1 1 9 2355 1 1 6 LYS CA C 4.686 2.820 -0.137 1.00 . A A . 6 LYS CA 1 1 9 2356 1 1 6 LYS CB C 4.989 3.618 -1.432 1.00 . A A . 6 LYS CB 1 1 9 2357 1 1 6 LYS CD C 5.499 3.448 -3.932 1.00 . A A . 6 LYS CD 1 1 9 2358 1 1 6 LYS CE C 6.656 3.105 -4.866 1.00 . A A . 6 LYS CE 1 1 9 2359 1 1 6 LYS CG C 5.659 2.798 -2.551 1.00 . A A . 6 LYS CG 1 1 9 2360 1 1 6 LYS H H 3.179 4.123 0.615 1.00 . A A . 6 LYS H 1 1 9 2361 1 1 6 LYS HA H 4.661 1.766 -0.376 1.00 . A A . 6 LYS HA 1 1 9 2362 1 1 6 LYS HB2 H 4.060 4.015 -1.813 1.00 . A A . 6 LYS HB2 1 1 9 2363 1 1 6 LYS HB3 H 5.642 4.442 -1.183 1.00 . A A . 6 LYS HB3 1 1 9 2364 1 1 6 LYS HD2 H 4.581 3.092 -4.377 1.00 . A A . 6 LYS HD2 1 1 9 2365 1 1 6 LYS HD3 H 5.450 4.523 -3.821 1.00 . A A . 6 LYS HD3 1 1 9 2366 1 1 6 LYS HE2 H 7.537 3.638 -4.535 1.00 . A A . 6 LYS HE2 1 1 9 2367 1 1 6 LYS HE3 H 6.840 2.042 -4.815 1.00 . A A . 6 LYS HE3 1 1 9 2368 1 1 6 LYS HG2 H 6.710 2.703 -2.319 1.00 . A A . 6 LYS HG2 1 1 9 2369 1 1 6 LYS HG3 H 5.209 1.815 -2.572 1.00 . A A . 6 LYS HG3 1 1 9 2370 1 1 6 LYS HZ1 H 5.499 3.004 -6.601 1.00 . A A . 6 LYS HZ1 1 1 9 2371 1 1 6 LYS HZ2 H 6.227 4.510 -6.350 1.00 . A A . 6 LYS HZ2 1 1 9 2372 1 1 6 LYS HZ3 H 7.153 3.203 -6.892 1.00 . A A . 6 LYS HZ3 1 1 9 2373 1 1 6 LYS N N 3.325 3.182 0.368 1.00 . A A . 6 LYS N 1 1 9 2374 1 1 6 LYS NZ N 6.363 3.482 -6.275 1.00 . A A . 6 LYS NZ 1 1 9 2375 1 1 6 LYS O O 5.724 4.030 1.726 1.00 . A A . 6 LYS O 1 1 9 2376 1 1 7 THR C C 9.340 2.198 0.991 1.00 . A A . 7 THR C 1 1 9 2377 1 1 7 THR CA C 8.022 2.044 1.807 1.00 . A A . 7 THR CA 1 1 9 2378 1 1 7 THR CB C 8.105 0.731 2.670 1.00 . A A . 7 THR CB 1 1 9 2379 1 1 7 THR CG2 C 7.179 0.775 3.889 1.00 . A A . 7 THR CG2 1 1 9 2380 1 1 7 THR H H 6.746 1.375 0.230 1.00 . A A . 7 THR H 1 1 9 2381 1 1 7 THR HA H 7.948 2.884 2.484 1.00 . A A . 7 THR HA 1 1 9 2382 1 1 7 THR HB H 9.120 0.638 3.026 1.00 . A A . 7 THR HB 1 1 9 2383 1 1 7 THR HG1 H 8.448 -0.511 1.179 1.00 . A A . 7 THR HG1 1 1 9 2384 1 1 7 THR HG21 H 6.257 1.269 3.624 1.00 . A A . 7 THR HG21 1 1 9 2385 1 1 7 THR HG22 H 6.967 -0.233 4.215 1.00 . A A . 7 THR HG22 1 1 9 2386 1 1 7 THR HG23 H 7.662 1.318 4.688 1.00 . A A . 7 THR HG23 1 1 9 2387 1 1 7 THR N N 6.811 2.087 0.904 1.00 . A A . 7 THR N 1 1 9 2388 1 1 7 THR O O 9.419 1.693 -0.171 1.00 . A A . 7 THR O 1 1 9 2389 1 1 7 THR OG1 O 7.800 -0.423 1.882 1.00 . A A . 7 THR OG1 1 1 9 2390 1 1 8 LEU C C 12.652 1.922 0.857 1.00 . A A . 8 LEU C 1 1 9 2391 1 1 8 LEU CA C 11.746 3.200 1.069 1.00 . A A . 8 LEU CA 1 1 9 2392 1 1 8 LEU CB C 12.459 4.252 1.969 1.00 . A A . 8 LEU CB 1 1 9 2393 1 1 8 LEU CD1 C 11.481 6.484 2.768 1.00 . A A . 8 LEU CD1 1 1 9 2394 1 1 8 LEU CD2 C 13.403 6.502 1.169 1.00 . A A . 8 LEU CD2 1 1 9 2395 1 1 8 LEU CG C 12.147 5.746 1.610 1.00 . A A . 8 LEU CG 1 1 9 2396 1 1 8 LEU H H 10.171 3.241 2.543 1.00 . A A . 8 LEU H 1 1 9 2397 1 1 8 LEU HA H 11.588 3.648 0.098 1.00 . A A . 8 LEU HA 1 1 9 2398 1 1 8 LEU HB2 H 12.164 4.058 2.994 1.00 . A A . 8 LEU HB2 1 1 9 2399 1 1 8 LEU HB3 H 13.524 4.083 1.890 1.00 . A A . 8 LEU HB3 1 1 9 2400 1 1 8 LEU HD11 H 10.594 5.948 3.073 1.00 . A A . 8 LEU HD11 1 1 9 2401 1 1 8 LEU HD12 H 12.167 6.547 3.599 1.00 . A A . 8 LEU HD12 1 1 9 2402 1 1 8 LEU HD13 H 11.207 7.480 2.451 1.00 . A A . 8 LEU HD13 1 1 9 2403 1 1 8 LEU HD21 H 13.827 6.017 0.302 1.00 . A A . 8 LEU HD21 1 1 9 2404 1 1 8 LEU HD22 H 13.143 7.519 0.920 1.00 . A A . 8 LEU HD22 1 1 9 2405 1 1 8 LEU HD23 H 14.125 6.499 1.972 1.00 . A A . 8 LEU HD23 1 1 9 2406 1 1 8 LEU HG H 11.452 5.768 0.780 1.00 . A A . 8 LEU HG 1 1 9 2407 1 1 8 LEU N N 10.363 2.905 1.636 1.00 . A A . 8 LEU N 1 1 9 2408 1 1 8 LEU O O 13.631 1.993 0.048 1.00 . A A . 8 LEU O 1 1 9 2409 1 1 9 ASP C C 12.718 -1.339 0.160 1.00 . A A . 9 ASP C 1 1 9 2410 1 1 9 ASP CA C 12.967 -0.582 1.502 1.00 . A A . 9 ASP CA 1 1 9 2411 1 1 9 ASP CB C 12.554 -1.465 2.707 1.00 . A A . 9 ASP CB 1 1 9 2412 1 1 9 ASP CG C 13.459 -1.286 3.922 1.00 . A A . 9 ASP CG 1 1 9 2413 1 1 9 ASP H H 11.475 0.830 2.128 1.00 . A A . 9 ASP H 1 1 9 2414 1 1 9 ASP HA H 14.027 -0.388 1.575 1.00 . A A . 9 ASP HA 1 1 9 2415 1 1 9 ASP HB2 H 11.546 -1.214 2.998 1.00 . A A . 9 ASP HB2 1 1 9 2416 1 1 9 ASP HB3 H 12.586 -2.503 2.409 1.00 . A A . 9 ASP HB3 1 1 9 2417 1 1 9 ASP N N 12.273 0.764 1.561 1.00 . A A . 9 ASP N 1 1 9 2418 1 1 9 ASP O O 13.691 -1.958 -0.349 1.00 . A A . 9 ASP O 1 1 9 2419 1 1 9 ASP OD1 O 13.160 -0.411 4.767 1.00 . A A . 9 ASP OD1 1 1 9 2420 1 1 9 ASP OD2 O 14.461 -2.030 4.035 1.00 . A A . 9 ASP OD2 1 1 9 2421 1 1 10 GLY C C 9.790 -2.811 -1.503 1.00 . A A . 10 GLY C 1 1 9 2422 1 1 10 GLY CA C 10.986 -1.877 -1.658 1.00 . A A . 10 GLY CA 1 1 9 2423 1 1 10 GLY H H 10.758 -0.722 0.120 1.00 . A A . 10 GLY H 1 1 9 2424 1 1 10 GLY HA2 H 11.814 -2.439 -2.066 1.00 . A A . 10 GLY HA2 1 1 9 2425 1 1 10 GLY HA3 H 10.724 -1.096 -2.355 1.00 . A A . 10 GLY HA3 1 1 9 2426 1 1 10 GLY N N 11.422 -1.249 -0.379 1.00 . A A . 10 GLY N 1 1 9 2427 1 1 10 GLY O O 9.904 -3.992 -1.922 1.00 . A A . 10 GLY O 1 1 9 2428 1 1 11 LYS C C 6.122 -2.067 -0.985 1.00 . A A . 11 LYS C 1 1 9 2429 1 1 11 LYS CA C 7.347 -2.966 -0.652 1.00 . A A . 11 LYS CA 1 1 9 2430 1 1 11 LYS CB C 7.251 -3.460 0.822 1.00 . A A . 11 LYS CB 1 1 9 2431 1 1 11 LYS CD C 8.956 -4.720 2.330 1.00 . A A . 11 LYS CD 1 1 9 2432 1 1 11 LYS CE C 8.524 -5.595 3.513 1.00 . A A . 11 LYS CE 1 1 9 2433 1 1 11 LYS CG C 7.983 -4.796 1.118 1.00 . A A . 11 LYS CG 1 1 9 2434 1 1 11 LYS H H 8.701 -1.309 -0.630 1.00 . A A . 11 LYS H 1 1 9 2435 1 1 11 LYS HA H 7.322 -3.826 -1.307 1.00 . A A . 11 LYS HA 1 1 9 2436 1 1 11 LYS HB2 H 7.658 -2.691 1.463 1.00 . A A . 11 LYS HB2 1 1 9 2437 1 1 11 LYS HB3 H 6.206 -3.591 1.068 1.00 . A A . 11 LYS HB3 1 1 9 2438 1 1 11 LYS HD2 H 9.929 -5.051 2.004 1.00 . A A . 11 LYS HD2 1 1 9 2439 1 1 11 LYS HD3 H 9.031 -3.694 2.668 1.00 . A A . 11 LYS HD3 1 1 9 2440 1 1 11 LYS HE2 H 7.447 -5.581 3.579 1.00 . A A . 11 LYS HE2 1 1 9 2441 1 1 11 LYS HE3 H 8.861 -6.605 3.338 1.00 . A A . 11 LYS HE3 1 1 9 2442 1 1 11 LYS HG2 H 7.236 -5.551 1.310 1.00 . A A . 11 LYS HG2 1 1 9 2443 1 1 11 LYS HG3 H 8.550 -5.084 0.243 1.00 . A A . 11 LYS HG3 1 1 9 2444 1 1 11 LYS HZ1 H 10.116 -4.968 4.711 1.00 . A A . 11 LYS HZ1 1 1 9 2445 1 1 11 LYS HZ2 H 8.649 -4.203 5.063 1.00 . A A . 11 LYS HZ2 1 1 9 2446 1 1 11 LYS HZ3 H 8.909 -5.800 5.554 1.00 . A A . 11 LYS HZ3 1 1 9 2447 1 1 11 LYS N N 8.654 -2.251 -0.906 1.00 . A A . 11 LYS N 1 1 9 2448 1 1 11 LYS NZ N 9.090 -5.108 4.800 1.00 . A A . 11 LYS NZ 1 1 9 2449 1 1 11 LYS O O 6.164 -0.822 -0.719 1.00 . A A . 11 LYS O 1 1 9 2450 1 1 12 THR C C 2.551 -3.038 -1.536 1.00 . A A . 12 THR C 1 1 9 2451 1 1 12 THR CA C 3.729 -2.115 -1.954 1.00 . A A . 12 THR CA 1 1 9 2452 1 1 12 THR CB C 3.632 -1.751 -3.487 1.00 . A A . 12 THR CB 1 1 9 2453 1 1 12 THR CG2 C 4.351 -0.438 -3.810 1.00 . A A . 12 THR CG2 1 1 9 2454 1 1 12 THR H H 5.129 -3.707 -1.703 1.00 . A A . 12 THR H 1 1 9 2455 1 1 12 THR HA H 3.638 -1.194 -1.391 1.00 . A A . 12 THR HA 1 1 9 2456 1 1 12 THR HB H 2.586 -1.627 -3.729 1.00 . A A . 12 THR HB 1 1 9 2457 1 1 12 THR HG1 H 3.593 -2.941 -5.064 1.00 . A A . 12 THR HG1 1 1 9 2458 1 1 12 THR HG21 H 5.330 -0.443 -3.354 1.00 . A A . 12 THR HG21 1 1 9 2459 1 1 12 THR HG22 H 4.452 -0.338 -4.881 1.00 . A A . 12 THR HG22 1 1 9 2460 1 1 12 THR HG23 H 3.778 0.391 -3.423 1.00 . A A . 12 THR HG23 1 1 9 2461 1 1 12 THR N N 5.040 -2.739 -1.556 1.00 . A A . 12 THR N 1 1 9 2462 1 1 12 THR O O 2.572 -4.273 -1.852 1.00 . A A . 12 THR O 1 1 9 2463 1 1 12 THR OG1 O 4.164 -2.805 -4.305 1.00 . A A . 12 THR OG1 1 1 9 2464 1 1 13 ILE C C -0.909 -2.106 -0.164 1.00 . A A . 13 ILE C 1 1 9 2465 1 1 13 ILE CA C 0.303 -3.081 -0.227 1.00 . A A . 13 ILE CA 1 1 9 2466 1 1 13 ILE CB C 0.491 -3.824 1.199 1.00 . A A . 13 ILE CB 1 1 9 2467 1 1 13 ILE CD1 C 0.481 -2.818 3.637 1.00 . A A . 13 ILE CD1 1 1 9 2468 1 1 13 ILE CG1 C 1.251 -2.979 2.327 1.00 . A A . 13 ILE CG1 1 1 9 2469 1 1 13 ILE CG2 C 1.176 -5.191 0.988 1.00 . A A . 13 ILE CG2 1 1 9 2470 1 1 13 ILE H H 1.664 -1.453 -0.584 1.00 . A A . 13 ILE H 1 1 9 2471 1 1 13 ILE HA H 0.040 -3.847 -0.949 1.00 . A A . 13 ILE HA 1 1 9 2472 1 1 13 ILE HB H -0.509 -4.044 1.553 1.00 . A A . 13 ILE HB 1 1 9 2473 1 1 13 ILE HD11 H 0.135 -3.788 3.964 1.00 . A A . 13 ILE HD11 1 1 9 2474 1 1 13 ILE HD12 H 1.132 -2.395 4.387 1.00 . A A . 13 ILE HD12 1 1 9 2475 1 1 13 ILE HD13 H -0.365 -2.166 3.481 1.00 . A A . 13 ILE HD13 1 1 9 2476 1 1 13 ILE HG12 H 2.196 -3.442 2.562 1.00 . A A . 13 ILE HG12 1 1 9 2477 1 1 13 ILE HG13 H 1.437 -1.987 1.939 1.00 . A A . 13 ILE HG13 1 1 9 2478 1 1 13 ILE HG21 H 2.111 -5.048 0.466 1.00 . A A . 13 ILE HG21 1 1 9 2479 1 1 13 ILE HG22 H 1.367 -5.644 1.950 1.00 . A A . 13 ILE HG22 1 1 9 2480 1 1 13 ILE HG23 H 0.532 -5.832 0.406 1.00 . A A . 13 ILE HG23 1 1 9 2481 1 1 13 ILE N N 1.552 -2.409 -0.787 1.00 . A A . 13 ILE N 1 1 9 2482 1 1 13 ILE O O -0.721 -0.919 0.228 1.00 . A A . 13 ILE O 1 1 9 2483 1 1 14 THR C C -4.545 -2.730 0.285 1.00 . A A . 14 THR C 1 1 9 2484 1 1 14 THR CA C -3.454 -1.948 -0.531 1.00 . A A . 14 THR CA 1 1 9 2485 1 1 14 THR CB C -3.940 -1.493 -1.999 1.00 . A A . 14 THR CB 1 1 9 2486 1 1 14 THR CG2 C -4.161 -2.620 -3.054 1.00 . A A . 14 THR CG2 1 1 9 2487 1 1 14 THR H H -2.141 -3.611 -0.799 1.00 . A A . 14 THR H 1 1 9 2488 1 1 14 THR HA H -3.272 -1.032 0.025 1.00 . A A . 14 THR HA 1 1 9 2489 1 1 14 THR HB H -3.170 -0.837 -2.389 1.00 . A A . 14 THR HB 1 1 9 2490 1 1 14 THR HG1 H -5.848 -1.241 -1.539 1.00 . A A . 14 THR HG1 1 1 9 2491 1 1 14 THR HG21 H -3.270 -3.225 -3.128 1.00 . A A . 14 THR HG21 1 1 9 2492 1 1 14 THR HG22 H -4.996 -3.237 -2.752 1.00 . A A . 14 THR HG22 1 1 9 2493 1 1 14 THR HG23 H -4.373 -2.171 -4.013 1.00 . A A . 14 THR HG23 1 1 9 2494 1 1 14 THR N N -2.130 -2.665 -0.532 1.00 . A A . 14 THR N 1 1 9 2495 1 1 14 THR O O -4.549 -3.997 0.265 1.00 . A A . 14 THR O 1 1 9 2496 1 1 14 THR OG1 O -5.146 -0.710 -1.922 1.00 . A A . 14 THR OG1 1 1 9 2497 1 1 15 LEU C C -7.940 -1.864 1.259 1.00 . A A . 15 LEU C 1 1 9 2498 1 1 15 LEU CA C -6.581 -2.387 1.805 1.00 . A A . 15 LEU CA 1 1 9 2499 1 1 15 LEU CB C -6.353 -1.973 3.279 1.00 . A A . 15 LEU CB 1 1 9 2500 1 1 15 LEU CD1 C -5.515 -3.493 5.170 1.00 . A A . 15 LEU CD1 1 1 9 2501 1 1 15 LEU CD2 C -7.834 -2.569 5.290 1.00 . A A . 15 LEU CD2 1 1 9 2502 1 1 15 LEU CG C -6.728 -3.057 4.351 1.00 . A A . 15 LEU CG 1 1 9 2503 1 1 15 LEU H H -5.330 -0.944 0.877 1.00 . A A . 15 LEU H 1 1 9 2504 1 1 15 LEU HA H -6.592 -3.467 1.746 1.00 . A A . 15 LEU HA 1 1 9 2505 1 1 15 LEU HB2 H -5.303 -1.715 3.383 1.00 . A A . 15 LEU HB2 1 1 9 2506 1 1 15 LEU HB3 H -6.933 -1.080 3.461 1.00 . A A . 15 LEU HB3 1 1 9 2507 1 1 15 LEU HD11 H -4.723 -3.805 4.504 1.00 . A A . 15 LEU HD11 1 1 9 2508 1 1 15 LEU HD12 H -5.171 -2.666 5.774 1.00 . A A . 15 LEU HD12 1 1 9 2509 1 1 15 LEU HD13 H -5.790 -4.317 5.812 1.00 . A A . 15 LEU HD13 1 1 9 2510 1 1 15 LEU HD21 H -8.674 -2.222 4.707 1.00 . A A . 15 LEU HD21 1 1 9 2511 1 1 15 LEU HD22 H -8.149 -3.381 5.927 1.00 . A A . 15 LEU HD22 1 1 9 2512 1 1 15 LEU HD23 H -7.457 -1.759 5.898 1.00 . A A . 15 LEU HD23 1 1 9 2513 1 1 15 LEU HG H -7.101 -3.936 3.842 1.00 . A A . 15 LEU HG 1 1 9 2514 1 1 15 LEU N N -5.442 -1.917 0.963 1.00 . A A . 15 LEU N 1 1 9 2515 1 1 15 LEU O O -8.037 -0.659 0.855 1.00 . A A . 15 LEU O 1 1 9 2516 1 1 16 GLU C C -11.417 -2.958 1.835 1.00 . A A . 16 GLU C 1 1 9 2517 1 1 16 GLU CA C -10.357 -2.583 0.761 1.00 . A A . 16 GLU CA 1 1 9 2518 1 1 16 GLU CB C -10.601 -3.372 -0.546 1.00 . A A . 16 GLU CB 1 1 9 2519 1 1 16 GLU CD C -10.726 -3.277 -3.102 1.00 . A A . 16 GLU CD 1 1 9 2520 1 1 16 GLU CG C -10.226 -2.608 -1.824 1.00 . A A . 16 GLU CG 1 1 9 2521 1 1 16 GLU H H -8.750 -3.716 1.575 1.00 . A A . 16 GLU H 1 1 9 2522 1 1 16 GLU HA H -10.452 -1.527 0.553 1.00 . A A . 16 GLU HA 1 1 9 2523 1 1 16 GLU HB2 H -10.018 -4.279 -0.516 1.00 . A A . 16 GLU HB2 1 1 9 2524 1 1 16 GLU HB3 H -11.647 -3.631 -0.604 1.00 . A A . 16 GLU HB3 1 1 9 2525 1 1 16 GLU HG2 H -10.650 -1.618 -1.770 1.00 . A A . 16 GLU HG2 1 1 9 2526 1 1 16 GLU HG3 H -9.147 -2.530 -1.876 1.00 . A A . 16 GLU HG3 1 1 9 2527 1 1 16 GLU N N -8.959 -2.813 1.247 1.00 . A A . 16 GLU N 1 1 9 2528 1 1 16 GLU O O -11.226 -3.968 2.585 1.00 . A A . 16 GLU O 1 1 9 2529 1 1 16 GLU OE1 O -11.856 -2.963 -3.539 1.00 . A A . 16 GLU OE1 1 1 9 2530 1 1 16 GLU OE2 O -9.979 -4.104 -3.676 1.00 . A A . 16 GLU OE2 1 1 9 2531 1 1 17 VAL C C -15.028 -2.512 2.068 1.00 . A A . 17 VAL C 1 1 9 2532 1 1 17 VAL CA C -13.700 -2.245 2.828 1.00 . A A . 17 VAL CA 1 1 9 2533 1 1 17 VAL CB C -13.875 -1.043 3.890 1.00 . A A . 17 VAL CB 1 1 9 2534 1 1 17 VAL CG1 C -12.901 -1.209 5.053 1.00 . A A . 17 VAL CG1 1 1 9 2535 1 1 17 VAL CG2 C -13.750 0.412 3.325 1.00 . A A . 17 VAL CG2 1 1 9 2536 1 1 17 VAL H H -12.554 -1.360 1.245 1.00 . A A . 17 VAL H 1 1 9 2537 1 1 17 VAL HA H -13.502 -3.143 3.403 1.00 . A A . 17 VAL HA 1 1 9 2538 1 1 17 VAL HB H -14.870 -1.142 4.304 1.00 . A A . 17 VAL HB 1 1 9 2539 1 1 17 VAL HG11 H -12.953 -2.221 5.424 1.00 . A A . 17 VAL HG11 1 1 9 2540 1 1 17 VAL HG12 H -11.897 -1.000 4.713 1.00 . A A . 17 VAL HG12 1 1 9 2541 1 1 17 VAL HG13 H -13.164 -0.521 5.843 1.00 . A A . 17 VAL HG13 1 1 9 2542 1 1 17 VAL HG21 H -14.439 0.540 2.504 1.00 . A A . 17 VAL HG21 1 1 9 2543 1 1 17 VAL HG22 H -13.984 1.121 4.106 1.00 . A A . 17 VAL HG22 1 1 9 2544 1 1 17 VAL HG23 H -12.741 0.576 2.977 1.00 . A A . 17 VAL HG23 1 1 9 2545 1 1 17 VAL N N -12.525 -2.112 1.879 1.00 . A A . 17 VAL N 1 1 9 2546 1 1 17 VAL O O -15.785 -3.402 2.510 1.00 . A A . 17 VAL O 1 1 9 2547 1 1 17 VAL OXT O -15.293 -1.831 1.046 1.00 . A A . 17 VAL OXT 1 1 10 2548 1 1 1 MET C C -11.470 1.536 -0.530 1.00 . A A . 1 MET C 1 1 10 2549 1 1 1 MET CA C -12.838 2.194 -0.190 1.00 . A A . 1 MET CA 1 1 10 2550 1 1 1 MET CB C -12.742 3.020 1.120 1.00 . A A . 1 MET CB 1 1 10 2551 1 1 1 MET CE C -11.989 5.897 3.273 1.00 . A A . 1 MET CE 1 1 10 2552 1 1 1 MET CG C -12.607 4.535 0.927 1.00 . A A . 1 MET CG 1 1 10 2553 1 1 1 MET H1 H -13.687 0.520 0.732 1.00 . A A . 1 MET H1 1 1 10 2554 1 1 1 MET H2 H -14.822 1.660 0.205 1.00 . A A . 1 MET H2 1 1 10 2555 1 1 1 MET H3 H -14.052 0.653 -0.913 1.00 . A A . 1 MET H3 1 1 10 2556 1 1 1 MET HA H -13.112 2.851 -1.002 1.00 . A A . 1 MET HA 1 1 10 2557 1 1 1 MET HB2 H -13.628 2.840 1.707 1.00 . A A . 1 MET HB2 1 1 10 2558 1 1 1 MET HB3 H -11.881 2.680 1.681 1.00 . A A . 1 MET HB3 1 1 10 2559 1 1 1 MET HE1 H -11.287 5.074 3.261 1.00 . A A . 1 MET HE1 1 1 10 2560 1 1 1 MET HE2 H -11.510 6.784 2.887 1.00 . A A . 1 MET HE2 1 1 10 2561 1 1 1 MET HE3 H -12.319 6.075 4.285 1.00 . A A . 1 MET HE3 1 1 10 2562 1 1 1 MET HG2 H -11.555 4.787 0.907 1.00 . A A . 1 MET HG2 1 1 10 2563 1 1 1 MET HG3 H -13.058 4.810 -0.016 1.00 . A A . 1 MET HG3 1 1 10 2564 1 1 1 MET N N -13.926 1.185 -0.030 1.00 . A A . 1 MET N 1 1 10 2565 1 1 1 MET O O -11.150 0.424 0.005 1.00 . A A . 1 MET O 1 1 10 2566 1 1 1 MET SD S -13.399 5.482 2.246 1.00 . A A . 1 MET SD 1 1 10 2567 1 1 2 GLN C C -8.336 3.068 -1.710 1.00 . A A . 2 GLN C 1 1 10 2568 1 1 2 GLN CA C -9.326 1.884 -1.899 1.00 . A A . 2 GLN CA 1 1 10 2569 1 1 2 GLN CB C -9.368 1.383 -3.376 1.00 . A A . 2 GLN CB 1 1 10 2570 1 1 2 GLN CD C -7.184 0.432 -4.319 1.00 . A A . 2 GLN CD 1 1 10 2571 1 1 2 GLN CG C -8.530 0.128 -3.664 1.00 . A A . 2 GLN CG 1 1 10 2572 1 1 2 GLN H H -11.044 3.121 -1.755 1.00 . A A . 2 GLN H 1 1 10 2573 1 1 2 GLN HA H -8.993 1.073 -1.266 1.00 . A A . 2 GLN HA 1 1 10 2574 1 1 2 GLN HB2 H -10.390 1.164 -3.636 1.00 . A A . 2 GLN HB2 1 1 10 2575 1 1 2 GLN HB3 H -9.009 2.175 -4.015 1.00 . A A . 2 GLN HB3 1 1 10 2576 1 1 2 GLN HE21 H -7.963 0.277 -6.167 1.00 . A A . 2 GLN HE21 1 1 10 2577 1 1 2 GLN HE22 H -6.279 0.650 -6.085 1.00 . A A . 2 GLN HE22 1 1 10 2578 1 1 2 GLN HG2 H -8.345 -0.393 -2.736 1.00 . A A . 2 GLN HG2 1 1 10 2579 1 1 2 GLN HG3 H -9.093 -0.516 -4.324 1.00 . A A . 2 GLN HG3 1 1 10 2580 1 1 2 GLN N N -10.684 2.269 -1.421 1.00 . A A . 2 GLN N 1 1 10 2581 1 1 2 GLN NE2 N -7.138 0.455 -5.660 1.00 . A A . 2 GLN NE2 1 1 10 2582 1 1 2 GLN O O -8.632 4.227 -2.154 1.00 . A A . 2 GLN O 1 1 10 2583 1 1 2 GLN OE1 O -6.185 0.632 -3.626 1.00 . A A . 2 GLN OE1 1 1 10 2584 1 1 3 ILE C C -4.696 2.906 -0.645 1.00 . A A . 3 ILE C 1 1 10 2585 1 1 3 ILE CA C -6.043 3.680 -0.668 1.00 . A A . 3 ILE CA 1 1 10 2586 1 1 3 ILE CB C -6.246 4.589 0.659 1.00 . A A . 3 ILE CB 1 1 10 2587 1 1 3 ILE CD1 C -5.980 3.871 3.176 1.00 . A A . 3 ILE CD1 1 1 10 2588 1 1 3 ILE CG1 C -6.845 3.822 1.923 1.00 . A A . 3 ILE CG1 1 1 10 2589 1 1 3 ILE CG2 C -7.113 5.814 0.305 1.00 . A A . 3 ILE CG2 1 1 10 2590 1 1 3 ILE H H -7.077 1.808 -0.704 1.00 . A A . 3 ILE H 1 1 10 2591 1 1 3 ILE HA H -5.975 4.362 -1.511 1.00 . A A . 3 ILE HA 1 1 10 2592 1 1 3 ILE HB H -5.268 4.972 0.916 1.00 . A A . 3 ILE HB 1 1 10 2593 1 1 3 ILE HD11 H -5.542 4.852 3.273 1.00 . A A . 3 ILE HD11 1 1 10 2594 1 1 3 ILE HD12 H -6.593 3.662 4.040 1.00 . A A . 3 ILE HD12 1 1 10 2595 1 1 3 ILE HD13 H -5.197 3.131 3.102 1.00 . A A . 3 ILE HD13 1 1 10 2596 1 1 3 ILE HG21 H -6.755 6.254 -0.614 1.00 . A A . 3 ILE HG21 1 1 10 2597 1 1 3 ILE HG22 H -8.140 5.504 0.178 1.00 . A A . 3 ILE HG22 1 1 10 2598 1 1 3 ILE HG23 H -7.052 6.540 1.102 1.00 . A A . 3 ILE HG23 1 1 10 2599 1 1 3 ILE N N -7.176 2.737 -1.012 1.00 . A A . 3 ILE N 1 1 10 2600 1 1 3 ILE O O -4.582 1.878 0.085 1.00 . A A . 3 ILE O 1 1 10 2601 1 1 4 PHE C C -1.316 3.392 -0.682 1.00 . A A . 4 PHE C 1 1 10 2602 1 1 4 PHE CA C -2.349 2.856 -1.709 1.00 . A A . 4 PHE CA 1 1 10 2603 1 1 4 PHE CB C -1.889 3.169 -3.172 1.00 . A A . 4 PHE CB 1 1 10 2604 1 1 4 PHE CD1 C -3.471 1.911 -4.960 1.00 . A A . 4 PHE CD1 1 1 10 2605 1 1 4 PHE CD2 C -0.954 1.193 -4.672 1.00 . A A . 4 PHE CD2 1 1 10 2606 1 1 4 PHE CE1 C -3.647 0.872 -6.042 1.00 . A A . 4 PHE CE1 1 1 10 2607 1 1 4 PHE CE2 C -1.132 0.159 -5.767 1.00 . A A . 4 PHE CE2 1 1 10 2608 1 1 4 PHE CG C -2.113 2.088 -4.243 1.00 . A A . 4 PHE CG 1 1 10 2609 1 1 4 PHE CZ C -2.477 -0.002 -6.450 1.00 . A A . 4 PHE CZ 1 1 10 2610 1 1 4 PHE H H -3.965 4.215 -2.028 1.00 . A A . 4 PHE H 1 1 10 2611 1 1 4 PHE HA H -2.418 1.784 -1.594 1.00 . A A . 4 PHE HA 1 1 10 2612 1 1 4 PHE HB2 H -2.414 4.047 -3.507 1.00 . A A . 4 PHE HB2 1 1 10 2613 1 1 4 PHE HB3 H -0.832 3.389 -3.152 1.00 . A A . 4 PHE HB3 1 1 10 2614 1 1 4 PHE HD1 H -4.311 2.523 -4.665 1.00 . A A . 4 PHE HD1 1 1 10 2615 1 1 4 PHE HD2 H 0.002 1.297 -4.184 1.00 . A A . 4 PHE HD2 1 1 10 2616 1 1 4 PHE HE1 H -4.607 0.752 -6.520 1.00 . A A . 4 PHE HE1 1 1 10 2617 1 1 4 PHE HE2 H -0.302 -0.467 -6.057 1.00 . A A . 4 PHE HE2 1 1 10 2618 1 1 4 PHE HZ H -2.602 -0.739 -7.230 1.00 . A A . 4 PHE HZ 1 1 10 2619 1 1 4 PHE N N -3.726 3.419 -1.497 1.00 . A A . 4 PHE N 1 1 10 2620 1 1 4 PHE O O -1.398 4.593 -0.280 1.00 . A A . 4 PHE O 1 1 10 2621 1 1 5 VAL C C 2.087 2.015 0.240 1.00 . A A . 5 VAL C 1 1 10 2622 1 1 5 VAL CA C 0.772 2.719 0.693 1.00 . A A . 5 VAL CA 1 1 10 2623 1 1 5 VAL CB C 0.437 2.391 2.240 1.00 . A A . 5 VAL CB 1 1 10 2624 1 1 5 VAL CG1 C -0.368 3.525 2.864 1.00 . A A . 5 VAL CG1 1 1 10 2625 1 1 5 VAL CG2 C -0.289 1.036 2.523 1.00 . A A . 5 VAL CG2 1 1 10 2626 1 1 5 VAL H H -0.398 1.561 -0.678 1.00 . A A . 5 VAL H 1 1 10 2627 1 1 5 VAL HA H 0.967 3.786 0.632 1.00 . A A . 5 VAL HA 1 1 10 2628 1 1 5 VAL HB H 1.386 2.363 2.763 1.00 . A A . 5 VAL HB 1 1 10 2629 1 1 5 VAL HG11 H 0.133 4.464 2.683 1.00 . A A . 5 VAL HG11 1 1 10 2630 1 1 5 VAL HG12 H -1.353 3.552 2.422 1.00 . A A . 5 VAL HG12 1 1 10 2631 1 1 5 VAL HG13 H -0.456 3.362 3.928 1.00 . A A . 5 VAL HG13 1 1 10 2632 1 1 5 VAL HG21 H 0.195 0.245 1.970 1.00 . A A . 5 VAL HG21 1 1 10 2633 1 1 5 VAL HG22 H -0.242 0.816 3.580 1.00 . A A . 5 VAL HG22 1 1 10 2634 1 1 5 VAL HG23 H -1.321 1.110 2.214 1.00 . A A . 5 VAL HG23 1 1 10 2635 1 1 5 VAL N N -0.353 2.463 -0.288 1.00 . A A . 5 VAL N 1 1 10 2636 1 1 5 VAL O O 2.049 0.796 -0.099 1.00 . A A . 5 VAL O 1 1 10 2637 1 1 6 LYS C C 5.676 2.874 0.883 1.00 . A A . 6 LYS C 1 1 10 2638 1 1 6 LYS CA C 4.610 2.415 -0.158 1.00 . A A . 6 LYS CA 1 1 10 2639 1 1 6 LYS CB C 4.952 2.976 -1.566 1.00 . A A . 6 LYS CB 1 1 10 2640 1 1 6 LYS CD C 5.969 2.578 -3.896 1.00 . A A . 6 LYS CD 1 1 10 2641 1 1 6 LYS CE C 7.461 2.467 -4.220 1.00 . A A . 6 LYS CE 1 1 10 2642 1 1 6 LYS CG C 5.600 1.962 -2.522 1.00 . A A . 6 LYS CG 1 1 10 2643 1 1 6 LYS H H 3.108 3.769 0.519 1.00 . A A . 6 LYS H 1 1 10 2644 1 1 6 LYS HA H 4.618 1.333 -0.197 1.00 . A A . 6 LYS HA 1 1 10 2645 1 1 6 LYS HB2 H 4.044 3.333 -2.025 1.00 . A A . 6 LYS HB2 1 1 10 2646 1 1 6 LYS HB3 H 5.631 3.808 -1.449 1.00 . A A . 6 LYS HB3 1 1 10 2647 1 1 6 LYS HD2 H 5.418 2.053 -4.661 1.00 . A A . 6 LYS HD2 1 1 10 2648 1 1 6 LYS HD3 H 5.688 3.624 -3.917 1.00 . A A . 6 LYS HD3 1 1 10 2649 1 1 6 LYS HE2 H 8.013 3.094 -3.534 1.00 . A A . 6 LYS HE2 1 1 10 2650 1 1 6 LYS HE3 H 7.768 1.439 -4.093 1.00 . A A . 6 LYS HE3 1 1 10 2651 1 1 6 LYS HG2 H 6.489 1.567 -2.050 1.00 . A A . 6 LYS HG2 1 1 10 2652 1 1 6 LYS HG3 H 4.900 1.153 -2.684 1.00 . A A . 6 LYS HG3 1 1 10 2653 1 1 6 LYS HZ1 H 7.436 3.872 -5.765 1.00 . A A . 6 LYS HZ1 1 1 10 2654 1 1 6 LYS HZ2 H 8.784 2.850 -5.790 1.00 . A A . 6 LYS HZ2 1 1 10 2655 1 1 6 LYS HZ3 H 7.275 2.272 -6.292 1.00 . A A . 6 LYS HZ3 1 1 10 2656 1 1 6 LYS N N 3.221 2.833 0.240 1.00 . A A . 6 LYS N 1 1 10 2657 1 1 6 LYS NZ N 7.760 2.896 -5.614 1.00 . A A . 6 LYS NZ 1 1 10 2658 1 1 6 LYS O O 5.548 4.001 1.460 1.00 . A A . 6 LYS O 1 1 10 2659 1 1 7 THR C C 9.274 2.296 1.254 1.00 . A A . 7 THR C 1 1 10 2660 1 1 7 THR CA C 7.887 2.172 2.027 1.00 . A A . 7 THR CA 1 1 10 2661 1 1 7 THR CB C 7.896 1.104 3.249 1.00 . A A . 7 THR CB 1 1 10 2662 1 1 7 THR CG2 C 8.044 -0.396 2.866 1.00 . A A . 7 THR CG2 1 1 10 2663 1 1 7 THR H H 6.706 1.131 0.573 1.00 . A A . 7 THR H 1 1 10 2664 1 1 7 THR HA H 7.714 3.145 2.477 1.00 . A A . 7 THR HA 1 1 10 2665 1 1 7 THR HB H 6.957 1.216 3.764 1.00 . A A . 7 THR HB 1 1 10 2666 1 1 7 THR HG1 H 9.782 1.416 3.748 1.00 . A A . 7 THR HG1 1 1 10 2667 1 1 7 THR HG21 H 8.786 -0.497 2.088 1.00 . A A . 7 THR HG21 1 1 10 2668 1 1 7 THR HG22 H 8.355 -0.959 3.734 1.00 . A A . 7 THR HG22 1 1 10 2669 1 1 7 THR HG23 H 7.096 -0.773 2.513 1.00 . A A . 7 THR HG23 1 1 10 2670 1 1 7 THR N N 6.720 1.970 1.086 1.00 . A A . 7 THR N 1 1 10 2671 1 1 7 THR O O 9.370 1.876 0.066 1.00 . A A . 7 THR O 1 1 10 2672 1 1 7 THR OG1 O 8.930 1.431 4.190 1.00 . A A . 7 THR OG1 1 1 10 2673 1 1 8 LEU C C 12.566 1.801 1.258 1.00 . A A . 8 LEU C 1 1 10 2674 1 1 8 LEU CA C 11.740 3.118 1.524 1.00 . A A . 8 LEU CA 1 1 10 2675 1 1 8 LEU CB C 12.477 4.023 2.546 1.00 . A A . 8 LEU CB 1 1 10 2676 1 1 8 LEU CD1 C 11.602 6.228 3.522 1.00 . A A . 8 LEU CD1 1 1 10 2677 1 1 8 LEU CD2 C 13.614 6.266 2.038 1.00 . A A . 8 LEU CD2 1 1 10 2678 1 1 8 LEU CG C 12.286 5.563 2.327 1.00 . A A . 8 LEU CG 1 1 10 2679 1 1 8 LEU H H 10.094 3.146 2.920 1.00 . A A . 8 LEU H 1 1 10 2680 1 1 8 LEU HA H 11.670 3.655 0.588 1.00 . A A . 8 LEU HA 1 1 10 2681 1 1 8 LEU HB2 H 12.124 3.753 3.536 1.00 . A A . 8 LEU HB2 1 1 10 2682 1 1 8 LEU HB3 H 13.531 3.787 2.493 1.00 . A A . 8 LEU HB3 1 1 10 2683 1 1 8 LEU HD11 H 10.633 5.776 3.679 1.00 . A A . 8 LEU HD11 1 1 10 2684 1 1 8 LEU HD12 H 12.209 6.094 4.405 1.00 . A A . 8 LEU HD12 1 1 10 2685 1 1 8 LEU HD13 H 11.480 7.283 3.325 1.00 . A A . 8 LEU HD13 1 1 10 2686 1 1 8 LEU HD21 H 14.130 5.747 1.244 1.00 . A A . 8 LEU HD21 1 1 10 2687 1 1 8 LEU HD22 H 13.424 7.285 1.738 1.00 . A A . 8 LEU HD22 1 1 10 2688 1 1 8 LEU HD23 H 14.226 6.260 2.928 1.00 . A A . 8 LEU HD23 1 1 10 2689 1 1 8 LEU HG H 11.645 5.717 1.469 1.00 . A A . 8 LEU HG 1 1 10 2690 1 1 8 LEU N N 10.313 2.876 1.997 1.00 . A A . 8 LEU N 1 1 10 2691 1 1 8 LEU O O 13.539 1.848 0.443 1.00 . A A . 8 LEU O 1 1 10 2692 1 1 9 ASP C C 12.477 -1.441 0.476 1.00 . A A . 9 ASP C 1 1 10 2693 1 1 9 ASP CA C 12.760 -0.732 1.837 1.00 . A A . 9 ASP CA 1 1 10 2694 1 1 9 ASP CB C 12.303 -1.626 3.019 1.00 . A A . 9 ASP CB 1 1 10 2695 1 1 9 ASP CG C 13.003 -1.292 4.331 1.00 . A A . 9 ASP CG 1 1 10 2696 1 1 9 ASP H H 11.353 0.740 2.521 1.00 . A A . 9 ASP H 1 1 10 2697 1 1 9 ASP HA H 13.829 -0.593 1.915 1.00 . A A . 9 ASP HA 1 1 10 2698 1 1 9 ASP HB2 H 11.240 -1.502 3.162 1.00 . A A . 9 ASP HB2 1 1 10 2699 1 1 9 ASP HB3 H 12.508 -2.659 2.776 1.00 . A A . 9 ASP HB3 1 1 10 2700 1 1 9 ASP N N 12.137 0.647 1.937 1.00 . A A . 9 ASP N 1 1 10 2701 1 1 9 ASP O O 13.417 -2.106 -0.041 1.00 . A A . 9 ASP O 1 1 10 2702 1 1 9 ASP OD1 O 14.068 -1.889 4.609 1.00 . A A . 9 ASP OD1 1 1 10 2703 1 1 9 ASP OD2 O 12.479 -0.444 5.089 1.00 . A A . 9 ASP OD2 1 1 10 2704 1 1 10 GLY C C 9.574 -2.813 -1.209 1.00 . A A . 10 GLY C 1 1 10 2705 1 1 10 GLY CA C 10.735 -1.836 -1.361 1.00 . A A . 10 GLY CA 1 1 10 2706 1 1 10 GLY H H 10.561 -0.706 0.438 1.00 . A A . 10 GLY H 1 1 10 2707 1 1 10 GLY HA2 H 11.563 -2.351 -1.826 1.00 . A A . 10 GLY HA2 1 1 10 2708 1 1 10 GLY HA3 H 10.423 -1.030 -2.007 1.00 . A A . 10 GLY HA3 1 1 10 2709 1 1 10 GLY N N 11.196 -1.261 -0.068 1.00 . A A . 10 GLY N 1 1 10 2710 1 1 10 GLY O O 9.774 -4.021 -1.501 1.00 . A A . 10 GLY O 1 1 10 2711 1 1 11 LYS C C 5.863 -2.210 -1.088 1.00 . A A . 11 LYS C 1 1 10 2712 1 1 11 LYS CA C 7.082 -3.008 -0.539 1.00 . A A . 11 LYS CA 1 1 10 2713 1 1 11 LYS CB C 6.851 -3.319 0.968 1.00 . A A . 11 LYS CB 1 1 10 2714 1 1 11 LYS CD C 7.422 -4.638 3.037 1.00 . A A . 11 LYS CD 1 1 10 2715 1 1 11 LYS CE C 8.519 -5.458 3.701 1.00 . A A . 11 LYS CE 1 1 10 2716 1 1 11 LYS CG C 7.622 -4.513 1.524 1.00 . A A . 11 LYS CG 1 1 10 2717 1 1 11 LYS H H 8.361 -1.292 -0.574 1.00 . A A . 11 LYS H 1 1 10 2718 1 1 11 LYS HA H 7.152 -3.941 -1.081 1.00 . A A . 11 LYS HA 1 1 10 2719 1 1 11 LYS HB2 H 7.130 -2.454 1.540 1.00 . A A . 11 LYS HB2 1 1 10 2720 1 1 11 LYS HB3 H 5.797 -3.504 1.118 1.00 . A A . 11 LYS HB3 1 1 10 2721 1 1 11 LYS HD2 H 7.423 -3.652 3.478 1.00 . A A . 11 LYS HD2 1 1 10 2722 1 1 11 LYS HD3 H 6.470 -5.114 3.223 1.00 . A A . 11 LYS HD3 1 1 10 2723 1 1 11 LYS HE2 H 8.779 -6.288 3.061 1.00 . A A . 11 LYS HE2 1 1 10 2724 1 1 11 LYS HE3 H 9.383 -4.824 3.840 1.00 . A A . 11 LYS HE3 1 1 10 2725 1 1 11 LYS HG2 H 7.267 -5.415 1.045 1.00 . A A . 11 LYS HG2 1 1 10 2726 1 1 11 LYS HG3 H 8.673 -4.378 1.314 1.00 . A A . 11 LYS HG3 1 1 10 2727 1 1 11 LYS HZ1 H 7.168 -6.462 4.938 1.00 . A A . 11 LYS HZ1 1 1 10 2728 1 1 11 LYS HZ2 H 8.787 -6.667 5.384 1.00 . A A . 11 LYS HZ2 1 1 10 2729 1 1 11 LYS HZ3 H 7.997 -5.205 5.708 1.00 . A A . 11 LYS HZ3 1 1 10 2730 1 1 11 LYS N N 8.375 -2.258 -0.760 1.00 . A A . 11 LYS N 1 1 10 2731 1 1 11 LYS NZ N 8.088 -5.985 5.025 1.00 . A A . 11 LYS NZ 1 1 10 2732 1 1 11 LYS O O 5.844 -0.940 -0.981 1.00 . A A . 11 LYS O 1 1 10 2733 1 1 12 THR C C 2.381 -3.340 -1.737 1.00 . A A . 12 THR C 1 1 10 2734 1 1 12 THR CA C 3.568 -2.465 -2.219 1.00 . A A . 12 THR CA 1 1 10 2735 1 1 12 THR CB C 3.573 -2.317 -3.793 1.00 . A A . 12 THR CB 1 1 10 2736 1 1 12 THR CG2 C 4.292 -1.040 -4.244 1.00 . A A . 12 THR CG2 1 1 10 2737 1 1 12 THR H H 4.975 -3.966 -1.662 1.00 . A A . 12 THR H 1 1 10 2738 1 1 12 THR HA H 3.428 -1.478 -1.798 1.00 . A A . 12 THR HA 1 1 10 2739 1 1 12 THR HB H 2.547 -2.254 -4.119 1.00 . A A . 12 THR HB 1 1 10 2740 1 1 12 THR HG1 H 5.078 -3.564 -4.096 1.00 . A A . 12 THR HG1 1 1 10 2741 1 1 12 THR HG21 H 4.089 -0.242 -3.542 1.00 . A A . 12 THR HG21 1 1 10 2742 1 1 12 THR HG22 H 5.355 -1.221 -4.284 1.00 . A A . 12 THR HG22 1 1 10 2743 1 1 12 THR HG23 H 3.938 -0.755 -5.223 1.00 . A A . 12 THR HG23 1 1 10 2744 1 1 12 THR N N 4.851 -2.992 -1.651 1.00 . A A . 12 THR N 1 1 10 2745 1 1 12 THR O O 2.395 -4.599 -1.934 1.00 . A A . 12 THR O 1 1 10 2746 1 1 12 THR OG1 O 4.180 -3.458 -4.420 1.00 . A A . 12 THR OG1 1 1 10 2747 1 1 13 ILE C C -1.061 -2.228 -0.504 1.00 . A A . 13 ILE C 1 1 10 2748 1 1 13 ILE CA C 0.132 -3.225 -0.450 1.00 . A A . 13 ILE CA 1 1 10 2749 1 1 13 ILE CB C 0.317 -3.809 1.053 1.00 . A A . 13 ILE CB 1 1 10 2750 1 1 13 ILE CD1 C 2.447 -2.233 2.040 1.00 . A A . 13 ILE CD1 1 1 10 2751 1 1 13 ILE CG1 C 0.998 -2.839 2.194 1.00 . A A . 13 ILE CG1 1 1 10 2752 1 1 13 ILE CG2 C 0.948 -5.226 1.008 1.00 . A A . 13 ILE CG2 1 1 10 2753 1 1 13 ILE H H 1.511 -1.663 -0.938 1.00 . A A . 13 ILE H 1 1 10 2754 1 1 13 ILE HA H -0.135 -4.059 -1.081 1.00 . A A . 13 ILE HA 1 1 10 2755 1 1 13 ILE HB H -0.702 -3.992 1.383 1.00 . A A . 13 ILE HB 1 1 10 2756 1 1 13 ILE HD11 H 3.054 -2.898 1.444 1.00 . A A . 13 ILE HD11 1 1 10 2757 1 1 13 ILE HD12 H 2.383 -1.270 1.554 1.00 . A A . 13 ILE HD12 1 1 10 2758 1 1 13 ILE HD13 H 2.894 -2.118 3.017 1.00 . A A . 13 ILE HD13 1 1 10 2759 1 1 13 ILE HG12 H 0.347 -1.995 2.317 1.00 . A A . 13 ILE HG12 1 1 10 2760 1 1 13 ILE HG13 H 0.990 -3.394 3.125 1.00 . A A . 13 ILE HG13 1 1 10 2761 1 1 13 ILE HG21 H 0.562 -5.764 0.154 1.00 . A A . 13 ILE HG21 1 1 10 2762 1 1 13 ILE HG22 H 2.022 -5.139 0.926 1.00 . A A . 13 ILE HG22 1 1 10 2763 1 1 13 ILE HG23 H 0.697 -5.760 1.911 1.00 . A A . 13 ILE HG23 1 1 10 2764 1 1 13 ILE N N 1.384 -2.634 -1.055 1.00 . A A . 13 ILE N 1 1 10 2765 1 1 13 ILE O O -0.863 -1.015 -0.191 1.00 . A A . 13 ILE O 1 1 10 2766 1 1 14 THR C C -4.475 -2.211 0.223 1.00 . A A . 14 THR C 1 1 10 2767 1 1 14 THR CA C -3.578 -2.032 -1.032 1.00 . A A . 14 THR CA 1 1 10 2768 1 1 14 THR CB C -4.422 -2.437 -2.303 1.00 . A A . 14 THR CB 1 1 10 2769 1 1 14 THR CG2 C -3.874 -1.850 -3.591 1.00 . A A . 14 THR CG2 1 1 10 2770 1 1 14 THR H H -2.293 -3.742 -1.116 1.00 . A A . 14 THR H 1 1 10 2771 1 1 14 THR HA H -3.334 -0.982 -1.120 1.00 . A A . 14 THR HA 1 1 10 2772 1 1 14 THR HB H -5.423 -2.037 -2.169 1.00 . A A . 14 THR HB 1 1 10 2773 1 1 14 THR HG1 H -5.387 -4.157 -2.173 1.00 . A A . 14 THR HG1 1 1 10 2774 1 1 14 THR HG21 H -3.446 -0.878 -3.393 1.00 . A A . 14 THR HG21 1 1 10 2775 1 1 14 THR HG22 H -3.118 -2.505 -3.994 1.00 . A A . 14 THR HG22 1 1 10 2776 1 1 14 THR HG23 H -4.681 -1.749 -4.303 1.00 . A A . 14 THR HG23 1 1 10 2777 1 1 14 THR N N -2.274 -2.783 -0.902 1.00 . A A . 14 THR N 1 1 10 2778 1 1 14 THR O O -4.515 -3.344 0.809 1.00 . A A . 14 THR O 1 1 10 2779 1 1 14 THR OG1 O -4.510 -3.865 -2.434 1.00 . A A . 14 THR OG1 1 1 10 2780 1 1 15 LEU C C -7.616 -1.070 1.078 1.00 . A A . 15 LEU C 1 1 10 2781 1 1 15 LEU CA C -6.184 -1.015 1.697 1.00 . A A . 15 LEU CA 1 1 10 2782 1 1 15 LEU CB C -5.907 0.223 2.609 1.00 . A A . 15 LEU CB 1 1 10 2783 1 1 15 LEU CD1 C -3.753 0.603 3.955 1.00 . A A . 15 LEU CD1 1 1 10 2784 1 1 15 LEU CD2 C -5.919 0.326 5.173 1.00 . A A . 15 LEU CD2 1 1 10 2785 1 1 15 LEU CG C -5.121 -0.081 3.932 1.00 . A A . 15 LEU CG 1 1 10 2786 1 1 15 LEU H H -5.122 -0.278 0.018 1.00 . A A . 15 LEU H 1 1 10 2787 1 1 15 LEU HA H -6.045 -1.920 2.281 1.00 . A A . 15 LEU HA 1 1 10 2788 1 1 15 LEU HB2 H -5.354 0.944 2.021 1.00 . A A . 15 LEU HB2 1 1 10 2789 1 1 15 LEU HB3 H -6.863 0.662 2.860 1.00 . A A . 15 LEU HB3 1 1 10 2790 1 1 15 LEU HD11 H -3.879 1.665 3.806 1.00 . A A . 15 LEU HD11 1 1 10 2791 1 1 15 LEU HD12 H -3.277 0.427 4.909 1.00 . A A . 15 LEU HD12 1 1 10 2792 1 1 15 LEU HD13 H -3.136 0.200 3.165 1.00 . A A . 15 LEU HD13 1 1 10 2793 1 1 15 LEU HD21 H -6.897 -0.131 5.138 1.00 . A A . 15 LEU HD21 1 1 10 2794 1 1 15 LEU HD22 H -5.400 -0.006 6.060 1.00 . A A . 15 LEU HD22 1 1 10 2795 1 1 15 LEU HD23 H -6.025 1.400 5.197 1.00 . A A . 15 LEU HD23 1 1 10 2796 1 1 15 LEU HG H -4.945 -1.146 3.995 1.00 . A A . 15 LEU HG 1 1 10 2797 1 1 15 LEU N N -5.217 -1.083 0.577 1.00 . A A . 15 LEU N 1 1 10 2798 1 1 15 LEU O O -8.108 -0.062 0.460 1.00 . A A . 15 LEU O 1 1 10 2799 1 1 16 GLU C C -10.518 -3.258 1.707 1.00 . A A . 16 GLU C 1 1 10 2800 1 1 16 GLU CA C -9.560 -2.686 0.626 1.00 . A A . 16 GLU CA 1 1 10 2801 1 1 16 GLU CB C -9.376 -3.692 -0.536 1.00 . A A . 16 GLU CB 1 1 10 2802 1 1 16 GLU CD C -9.599 -3.933 -3.077 1.00 . A A . 16 GLU CD 1 1 10 2803 1 1 16 GLU CG C -9.171 -3.042 -1.914 1.00 . A A . 16 GLU CG 1 1 10 2804 1 1 16 GLU H H -7.719 -3.040 1.630 1.00 . A A . 16 GLU H 1 1 10 2805 1 1 16 GLU HA H -9.996 -1.779 0.232 1.00 . A A . 16 GLU HA 1 1 10 2806 1 1 16 GLU HB2 H -8.513 -4.306 -0.328 1.00 . A A . 16 GLU HB2 1 1 10 2807 1 1 16 GLU HB3 H -10.250 -4.324 -0.590 1.00 . A A . 16 GLU HB3 1 1 10 2808 1 1 16 GLU HG2 H -9.745 -2.129 -1.955 1.00 . A A . 16 GLU HG2 1 1 10 2809 1 1 16 GLU HG3 H -8.119 -2.802 -2.033 1.00 . A A . 16 GLU HG3 1 1 10 2810 1 1 16 GLU N N -8.222 -2.320 1.187 1.00 . A A . 16 GLU N 1 1 10 2811 1 1 16 GLU O O -10.055 -3.999 2.631 1.00 . A A . 16 GLU O 1 1 10 2812 1 1 16 GLU OE1 O -8.751 -4.701 -3.587 1.00 . A A . 16 GLU OE1 1 1 10 2813 1 1 16 GLU OE2 O -10.779 -3.851 -3.490 1.00 . A A . 16 GLU OE2 1 1 10 2814 1 1 17 VAL C C -14.223 -3.799 1.661 1.00 . A A . 17 VAL C 1 1 10 2815 1 1 17 VAL CA C -12.994 -3.297 2.467 1.00 . A A . 17 VAL CA 1 1 10 2816 1 1 17 VAL CB C -13.436 -2.203 3.567 1.00 . A A . 17 VAL CB 1 1 10 2817 1 1 17 VAL CG1 C -12.476 -2.218 4.753 1.00 . A A . 17 VAL CG1 1 1 10 2818 1 1 17 VAL CG2 C -13.599 -0.731 3.064 1.00 . A A . 17 VAL CG2 1 1 10 2819 1 1 17 VAL H H -12.084 -2.303 0.798 1.00 . A A . 17 VAL H 1 1 10 2820 1 1 17 VAL HA H -12.625 -4.158 3.014 1.00 . A A . 17 VAL HA 1 1 10 2821 1 1 17 VAL HB H -14.398 -2.521 3.948 1.00 . A A . 17 VAL HB 1 1 10 2822 1 1 17 VAL HG11 H -12.277 -3.239 5.042 1.00 . A A . 17 VAL HG11 1 1 10 2823 1 1 17 VAL HG12 H -11.551 -1.736 4.473 1.00 . A A . 17 VAL HG12 1 1 10 2824 1 1 17 VAL HG13 H -12.921 -1.688 5.582 1.00 . A A . 17 VAL HG13 1 1 10 2825 1 1 17 VAL HG21 H -14.178 -0.725 2.153 1.00 . A A . 17 VAL HG21 1 1 10 2826 1 1 17 VAL HG22 H -14.104 -0.146 3.819 1.00 . A A . 17 VAL HG22 1 1 10 2827 1 1 17 VAL HG23 H -12.625 -0.305 2.873 1.00 . A A . 17 VAL HG23 1 1 10 2828 1 1 17 VAL N N -11.853 -2.884 1.556 1.00 . A A . 17 VAL N 1 1 10 2829 1 1 17 VAL O O -14.604 -3.145 0.658 1.00 . A A . 17 VAL O 1 1 10 2830 1 1 17 VAL OXT O -14.788 -4.843 2.050 1.00 . A A . 17 VAL OXT 1 1 11 2831 1 1 1 MET C C -11.419 1.726 -0.644 1.00 . A A . 1 MET C 1 1 11 2832 1 1 1 MET CA C -12.765 2.432 -0.313 1.00 . A A . 1 MET CA 1 1 11 2833 1 1 1 MET CB C -12.697 3.109 1.084 1.00 . A A . 1 MET CB 1 1 11 2834 1 1 1 MET CE C -14.171 6.015 2.783 1.00 . A A . 1 MET CE 1 1 11 2835 1 1 1 MET CG C -12.480 4.627 1.060 1.00 . A A . 1 MET CG 1 1 11 2836 1 1 1 MET H1 H -13.991 1.018 -1.248 1.00 . A A . 1 MET H1 1 1 11 2837 1 1 1 MET H2 H -13.797 0.762 0.413 1.00 . A A . 1 MET H2 1 1 11 2838 1 1 1 MET H3 H -14.807 2.001 -0.141 1.00 . A A . 1 MET H3 1 1 11 2839 1 1 1 MET HA H -12.950 3.187 -1.063 1.00 . A A . 1 MET HA 1 1 11 2840 1 1 1 MET HB2 H -13.621 2.917 1.609 1.00 . A A . 1 MET HB2 1 1 11 2841 1 1 1 MET HB3 H -11.883 2.665 1.642 1.00 . A A . 1 MET HB3 1 1 11 2842 1 1 1 MET HE1 H -13.991 5.141 3.395 1.00 . A A . 1 MET HE1 1 1 11 2843 1 1 1 MET HE2 H -13.443 6.776 3.020 1.00 . A A . 1 MET HE2 1 1 11 2844 1 1 1 MET HE3 H -15.164 6.391 2.977 1.00 . A A . 1 MET HE3 1 1 11 2845 1 1 1 MET HG2 H -11.912 4.906 1.936 1.00 . A A . 1 MET HG2 1 1 11 2846 1 1 1 MET HG3 H -11.916 4.883 0.174 1.00 . A A . 1 MET HG3 1 1 11 2847 1 1 1 MET N N -13.922 1.487 -0.323 1.00 . A A . 1 MET N 1 1 11 2848 1 1 1 MET O O -11.210 0.542 -0.229 1.00 . A A . 1 MET O 1 1 11 2849 1 1 1 MET SD S -14.027 5.563 1.054 1.00 . A A . 1 MET SD 1 1 11 2850 1 1 2 GLN C C -8.129 3.210 -1.469 1.00 . A A . 2 GLN C 1 1 11 2851 1 1 2 GLN CA C -9.152 2.093 -1.805 1.00 . A A . 2 GLN CA 1 1 11 2852 1 1 2 GLN CB C -9.103 1.712 -3.313 1.00 . A A . 2 GLN CB 1 1 11 2853 1 1 2 GLN CD C -9.155 -0.159 -5.059 1.00 . A A . 2 GLN CD 1 1 11 2854 1 1 2 GLN CG C -8.962 0.213 -3.587 1.00 . A A . 2 GLN CG 1 1 11 2855 1 1 2 GLN H H -10.804 3.417 -1.624 1.00 . A A . 2 GLN H 1 1 11 2856 1 1 2 GLN HA H -8.892 1.227 -1.213 1.00 . A A . 2 GLN HA 1 1 11 2857 1 1 2 GLN HB2 H -10.007 2.056 -3.788 1.00 . A A . 2 GLN HB2 1 1 11 2858 1 1 2 GLN HB3 H -8.258 2.212 -3.764 1.00 . A A . 2 GLN HB3 1 1 11 2859 1 1 2 GLN HE21 H -7.188 0.015 -5.436 1.00 . A A . 2 GLN HE21 1 1 11 2860 1 1 2 GLN HE22 H -8.178 -0.432 -6.780 1.00 . A A . 2 GLN HE22 1 1 11 2861 1 1 2 GLN HG2 H -7.971 -0.100 -3.283 1.00 . A A . 2 GLN HG2 1 1 11 2862 1 1 2 GLN HG3 H -9.698 -0.315 -2.999 1.00 . A A . 2 GLN HG3 1 1 11 2863 1 1 2 GLN N N -10.523 2.507 -1.378 1.00 . A A . 2 GLN N 1 1 11 2864 1 1 2 GLN NE2 N -8.061 -0.195 -5.836 1.00 . A A . 2 GLN NE2 1 1 11 2865 1 1 2 GLN O O -8.370 4.420 -1.793 1.00 . A A . 2 GLN O 1 1 11 2866 1 1 2 GLN OE1 O -10.277 -0.426 -5.499 1.00 . A A . 2 GLN OE1 1 1 11 2867 1 1 3 ILE C C -4.520 2.828 -0.375 1.00 . A A . 3 ILE C 1 1 11 2868 1 1 3 ILE CA C -5.851 3.622 -0.311 1.00 . A A . 3 ILE CA 1 1 11 2869 1 1 3 ILE CB C -6.051 4.348 1.122 1.00 . A A . 3 ILE CB 1 1 11 2870 1 1 3 ILE CD1 C -5.890 3.272 3.517 1.00 . A A . 3 ILE CD1 1 1 11 2871 1 1 3 ILE CG1 C -6.719 3.444 2.253 1.00 . A A . 3 ILE CG1 1 1 11 2872 1 1 3 ILE CG2 C -6.856 5.648 0.920 1.00 . A A . 3 ILE CG2 1 1 11 2873 1 1 3 ILE H H -6.944 1.803 -0.573 1.00 . A A . 3 ILE H 1 1 11 2874 1 1 3 ILE HA H -5.759 4.408 -1.056 1.00 . A A . 3 ILE HA 1 1 11 2875 1 1 3 ILE HB H -5.065 4.647 1.452 1.00 . A A . 3 ILE HB 1 1 11 2876 1 1 3 ILE HD11 H -5.296 4.157 3.682 1.00 . A A . 3 ILE HD11 1 1 11 2877 1 1 3 ILE HD12 H -6.553 3.120 4.356 1.00 . A A . 3 ILE HD12 1 1 11 2878 1 1 3 ILE HD13 H -5.243 2.415 3.409 1.00 . A A . 3 ILE HD13 1 1 11 2879 1 1 3 ILE HG21 H -6.344 6.283 0.212 1.00 . A A . 3 ILE HG21 1 1 11 2880 1 1 3 ILE HG22 H -7.839 5.408 0.544 1.00 . A A . 3 ILE HG22 1 1 11 2881 1 1 3 ILE HG23 H -6.947 6.165 1.865 1.00 . A A . 3 ILE HG23 1 1 11 2882 1 1 3 ILE N N -7.002 2.762 -0.784 1.00 . A A . 3 ILE N 1 1 11 2883 1 1 3 ILE O O -4.442 1.693 0.184 1.00 . A A . 3 ILE O 1 1 11 2884 1 1 4 PHE C C -1.076 3.510 -0.420 1.00 . A A . 4 PHE C 1 1 11 2885 1 1 4 PHE CA C -2.147 2.912 -1.372 1.00 . A A . 4 PHE CA 1 1 11 2886 1 1 4 PHE CB C -1.776 3.197 -2.867 1.00 . A A . 4 PHE CB 1 1 11 2887 1 1 4 PHE CD1 C -3.644 2.117 -4.499 1.00 . A A . 4 PHE CD1 1 1 11 2888 1 1 4 PHE CD2 C -1.186 1.173 -4.472 1.00 . A A . 4 PHE CD2 1 1 11 2889 1 1 4 PHE CE1 C -4.019 1.120 -5.572 1.00 . A A . 4 PHE CE1 1 1 11 2890 1 1 4 PHE CE2 C -1.567 0.170 -5.546 1.00 . A A . 4 PHE CE2 1 1 11 2891 1 1 4 PHE CG C -2.209 2.160 -3.921 1.00 . A A . 4 PHE CG 1 1 11 2892 1 1 4 PHE CZ C -2.982 0.145 -6.097 1.00 . A A . 4 PHE CZ 1 1 11 2893 1 1 4 PHE H H -3.728 4.326 -1.514 1.00 . A A . 4 PHE H 1 1 11 2894 1 1 4 PHE HA H -2.183 1.844 -1.223 1.00 . A A . 4 PHE HA 1 1 11 2895 1 1 4 PHE HB2 H -2.221 4.135 -3.152 1.00 . A A . 4 PHE HB2 1 1 11 2896 1 1 4 PHE HB3 H -0.701 3.295 -2.933 1.00 . A A . 4 PHE HB3 1 1 11 2897 1 1 4 PHE HD1 H -4.389 2.800 -4.120 1.00 . A A . 4 PHE HD1 1 1 11 2898 1 1 4 PHE HD2 H -0.180 1.182 -4.081 1.00 . A A . 4 PHE HD2 1 1 11 2899 1 1 4 PHE HE1 H -5.026 1.098 -5.955 1.00 . A A . 4 PHE HE1 1 1 11 2900 1 1 4 PHE HE2 H -0.832 -0.526 -5.919 1.00 . A A . 4 PHE HE2 1 1 11 2901 1 1 4 PHE HZ H -3.250 -0.566 -6.864 1.00 . A A . 4 PHE HZ 1 1 11 2902 1 1 4 PHE N N -3.517 3.454 -1.108 1.00 . A A . 4 PHE N 1 1 11 2903 1 1 4 PHE O O -1.163 4.725 -0.056 1.00 . A A . 4 PHE O 1 1 11 2904 1 1 5 VAL C C 2.382 2.258 0.301 1.00 . A A . 5 VAL C 1 1 11 2905 1 1 5 VAL CA C 1.098 2.935 0.871 1.00 . A A . 5 VAL CA 1 1 11 2906 1 1 5 VAL CB C 0.945 2.554 2.450 1.00 . A A . 5 VAL CB 1 1 11 2907 1 1 5 VAL CG1 C 1.483 3.677 3.349 1.00 . A A . 5 VAL CG1 1 1 11 2908 1 1 5 VAL CG2 C -0.482 2.199 2.942 1.00 . A A . 5 VAL CG2 1 1 11 2909 1 1 5 VAL H H -0.119 1.702 -0.398 1.00 . A A . 5 VAL H 1 1 11 2910 1 1 5 VAL HA H 1.246 4.009 0.797 1.00 . A A . 5 VAL HA 1 1 11 2911 1 1 5 VAL HB H 1.572 1.688 2.624 1.00 . A A . 5 VAL HB 1 1 11 2912 1 1 5 VAL HG11 H 2.470 3.961 3.016 1.00 . A A . 5 VAL HG11 1 1 11 2913 1 1 5 VAL HG12 H 0.823 4.530 3.293 1.00 . A A . 5 VAL HG12 1 1 11 2914 1 1 5 VAL HG13 H 1.534 3.328 4.369 1.00 . A A . 5 VAL HG13 1 1 11 2915 1 1 5 VAL HG21 H -0.938 1.502 2.256 1.00 . A A . 5 VAL HG21 1 1 11 2916 1 1 5 VAL HG22 H -0.422 1.752 3.923 1.00 . A A . 5 VAL HG22 1 1 11 2917 1 1 5 VAL HG23 H -1.080 3.099 2.991 1.00 . A A . 5 VAL HG23 1 1 11 2918 1 1 5 VAL N N -0.075 2.618 -0.043 1.00 . A A . 5 VAL N 1 1 11 2919 1 1 5 VAL O O 2.345 1.033 -0.042 1.00 . A A . 5 VAL O 1 1 11 2920 1 1 6 LYS C C 5.995 3.112 0.644 1.00 . A A . 6 LYS C 1 1 11 2921 1 1 6 LYS CA C 4.840 2.707 -0.325 1.00 . A A . 6 LYS CA 1 1 11 2922 1 1 6 LYS CB C 5.060 3.323 -1.736 1.00 . A A . 6 LYS CB 1 1 11 2923 1 1 6 LYS CD C 5.498 2.846 -4.205 1.00 . A A . 6 LYS CD 1 1 11 2924 1 1 6 LYS CE C 6.591 2.327 -5.133 1.00 . A A . 6 LYS CE 1 1 11 2925 1 1 6 LYS CG C 5.696 2.369 -2.761 1.00 . A A . 6 LYS CG 1 1 11 2926 1 1 6 LYS H H 3.385 4.035 0.490 1.00 . A A . 6 LYS H 1 1 11 2927 1 1 6 LYS HA H 4.841 1.630 -0.411 1.00 . A A . 6 LYS HA 1 1 11 2928 1 1 6 LYS HB2 H 4.103 3.642 -2.122 1.00 . A A . 6 LYS HB2 1 1 11 2929 1 1 6 LYS HB3 H 5.700 4.188 -1.638 1.00 . A A . 6 LYS HB3 1 1 11 2930 1 1 6 LYS HD2 H 4.544 2.485 -4.559 1.00 . A A . 6 LYS HD2 1 1 11 2931 1 1 6 LYS HD3 H 5.504 3.927 -4.229 1.00 . A A . 6 LYS HD3 1 1 11 2932 1 1 6 LYS HE2 H 7.510 2.852 -4.914 1.00 . A A . 6 LYS HE2 1 1 11 2933 1 1 6 LYS HE3 H 6.730 1.271 -4.951 1.00 . A A . 6 LYS HE3 1 1 11 2934 1 1 6 LYS HG2 H 6.753 2.299 -2.551 1.00 . A A . 6 LYS HG2 1 1 11 2935 1 1 6 LYS HG3 H 5.245 1.392 -2.650 1.00 . A A . 6 LYS HG3 1 1 11 2936 1 1 6 LYS HZ1 H 5.964 3.521 -6.730 1.00 . A A . 6 LYS HZ1 1 1 11 2937 1 1 6 LYS HZ2 H 7.070 2.317 -7.167 1.00 . A A . 6 LYS HZ2 1 1 11 2938 1 1 6 LYS HZ3 H 5.461 1.909 -6.839 1.00 . A A . 6 LYS HZ3 1 1 11 2939 1 1 6 LYS N N 3.491 3.101 0.201 1.00 . A A . 6 LYS N 1 1 11 2940 1 1 6 LYS NZ N 6.248 2.533 -6.567 1.00 . A A . 6 LYS NZ 1 1 11 2941 1 1 6 LYS O O 5.924 4.200 1.291 1.00 . A A . 6 LYS O 1 1 11 2942 1 1 7 THR C C 9.574 2.175 0.636 1.00 . A A . 7 THR C 1 1 11 2943 1 1 7 THR CA C 8.300 2.322 1.522 1.00 . A A . 7 THR CA 1 1 11 2944 1 1 7 THR CB C 8.372 1.287 2.703 1.00 . A A . 7 THR CB 1 1 11 2945 1 1 7 THR CG2 C 7.523 1.715 3.903 1.00 . A A . 7 THR CG2 1 1 11 2946 1 1 7 THR H H 6.975 1.394 0.128 1.00 . A A . 7 THR H 1 1 11 2947 1 1 7 THR HA H 8.304 3.316 1.948 1.00 . A A . 7 THR HA 1 1 11 2948 1 1 7 THR HB H 9.400 1.227 3.027 1.00 . A A . 7 THR HB 1 1 11 2949 1 1 7 THR HG1 H 8.710 -0.615 2.336 1.00 . A A . 7 THR HG1 1 1 11 2950 1 1 7 THR HG21 H 6.610 2.174 3.553 1.00 . A A . 7 THR HG21 1 1 11 2951 1 1 7 THR HG22 H 7.283 0.846 4.499 1.00 . A A . 7 THR HG22 1 1 11 2952 1 1 7 THR HG23 H 8.075 2.423 4.503 1.00 . A A . 7 THR HG23 1 1 11 2953 1 1 7 THR N N 7.045 2.197 0.691 1.00 . A A . 7 THR N 1 1 11 2954 1 1 7 THR O O 9.560 1.385 -0.355 1.00 . A A . 7 THR O 1 1 11 2955 1 1 7 THR OG1 O 7.966 -0.011 2.275 1.00 . A A . 7 THR OG1 1 1 11 2956 1 1 8 LEU C C 12.808 1.651 0.259 1.00 . A A . 8 LEU C 1 1 11 2957 1 1 8 LEU CA C 12.033 3.030 0.336 1.00 . A A . 8 LEU CA 1 1 11 2958 1 1 8 LEU CB C 12.908 4.124 1.031 1.00 . A A . 8 LEU CB 1 1 11 2959 1 1 8 LEU CD1 C 12.652 6.636 0.507 1.00 . A A . 8 LEU CD1 1 1 11 2960 1 1 8 LEU CD2 C 14.864 5.524 0.135 1.00 . A A . 8 LEU CD2 1 1 11 2961 1 1 8 LEU CG C 13.347 5.325 0.118 1.00 . A A . 8 LEU CG 1 1 11 2962 1 1 8 LEU H H 10.543 3.539 1.816 1.00 . A A . 8 LEU H 1 1 11 2963 1 1 8 LEU HA H 11.844 3.346 -0.680 1.00 . A A . 8 LEU HA 1 1 11 2964 1 1 8 LEU HB2 H 12.344 4.506 1.874 1.00 . A A . 8 LEU HB2 1 1 11 2965 1 1 8 LEU HB3 H 13.790 3.634 1.418 1.00 . A A . 8 LEU HB3 1 1 11 2966 1 1 8 LEU HD11 H 12.825 6.840 1.553 1.00 . A A . 8 LEU HD11 1 1 11 2967 1 1 8 LEU HD12 H 13.051 7.444 -0.088 1.00 . A A . 8 LEU HD12 1 1 11 2968 1 1 8 LEU HD13 H 11.591 6.547 0.327 1.00 . A A . 8 LEU HD13 1 1 11 2969 1 1 8 LEU HD21 H 15.351 4.608 -0.166 1.00 . A A . 8 LEU HD21 1 1 11 2970 1 1 8 LEU HD22 H 15.130 6.315 -0.551 1.00 . A A . 8 LEU HD22 1 1 11 2971 1 1 8 LEU HD23 H 15.181 5.791 1.133 1.00 . A A . 8 LEU HD23 1 1 11 2972 1 1 8 LEU HG H 13.062 5.104 -0.902 1.00 . A A . 8 LEU HG 1 1 11 2973 1 1 8 LEU N N 10.668 2.965 1.024 1.00 . A A . 8 LEU N 1 1 11 2974 1 1 8 LEU O O 13.731 1.514 -0.606 1.00 . A A . 8 LEU O 1 1 11 2975 1 1 9 ASP C C 12.531 -1.670 0.050 1.00 . A A . 9 ASP C 1 1 11 2976 1 1 9 ASP CA C 12.955 -0.755 1.240 1.00 . A A . 9 ASP CA 1 1 11 2977 1 1 9 ASP CB C 12.581 -1.410 2.593 1.00 . A A . 9 ASP CB 1 1 11 2978 1 1 9 ASP CG C 13.779 -2.010 3.322 1.00 . A A . 9 ASP CG 1 1 11 2979 1 1 9 ASP H H 11.636 0.863 1.742 1.00 . A A . 9 ASP H 1 1 11 2980 1 1 9 ASP HA H 14.030 -0.651 1.204 1.00 . A A . 9 ASP HA 1 1 11 2981 1 1 9 ASP HB2 H 12.136 -0.664 3.234 1.00 . A A . 9 ASP HB2 1 1 11 2982 1 1 9 ASP HB3 H 11.863 -2.197 2.415 1.00 . A A . 9 ASP HB3 1 1 11 2983 1 1 9 ASP N N 12.383 0.646 1.144 1.00 . A A . 9 ASP N 1 1 11 2984 1 1 9 ASP O O 13.407 -2.434 -0.437 1.00 . A A . 9 ASP O 1 1 11 2985 1 1 9 ASP OD1 O 14.075 -3.206 3.101 1.00 . A A . 9 ASP OD1 1 1 11 2986 1 1 9 ASP OD2 O 14.412 -1.287 4.126 1.00 . A A . 9 ASP OD2 1 1 11 2987 1 1 10 GLY C C 9.365 -3.109 -1.116 1.00 . A A . 10 GLY C 1 1 11 2988 1 1 10 GLY CA C 10.604 -2.321 -1.519 1.00 . A A . 10 GLY CA 1 1 11 2989 1 1 10 GLY H H 10.623 -0.908 0.080 1.00 . A A . 10 GLY H 1 1 11 2990 1 1 10 GLY HA2 H 11.346 -3.007 -1.901 1.00 . A A . 10 GLY HA2 1 1 11 2991 1 1 10 GLY HA3 H 10.335 -1.631 -2.304 1.00 . A A . 10 GLY HA3 1 1 11 2992 1 1 10 GLY N N 11.202 -1.551 -0.390 1.00 . A A . 10 GLY N 1 1 11 2993 1 1 10 GLY O O 9.363 -4.353 -1.308 1.00 . A A . 10 GLY O 1 1 11 2994 1 1 11 LYS C C 5.814 -1.996 -0.524 1.00 . A A . 11 LYS C 1 1 11 2995 1 1 11 LYS CA C 7.007 -2.891 -0.071 1.00 . A A . 11 LYS CA 1 1 11 2996 1 1 11 LYS CB C 7.020 -3.011 1.480 1.00 . A A . 11 LYS CB 1 1 11 2997 1 1 11 LYS CD C 7.883 -4.769 3.198 1.00 . A A . 11 LYS CD 1 1 11 2998 1 1 11 LYS CE C 7.218 -4.870 4.586 1.00 . A A . 11 LYS CE 1 1 11 2999 1 1 11 LYS CG C 6.885 -4.449 2.042 1.00 . A A . 11 LYS CG 1 1 11 3000 1 1 11 LYS H H 8.468 -1.386 -0.461 1.00 . A A . 11 LYS H 1 1 11 3001 1 1 11 LYS HA H 6.878 -3.872 -0.503 1.00 . A A . 11 LYS HA 1 1 11 3002 1 1 11 LYS HB2 H 7.948 -2.589 1.839 1.00 . A A . 11 LYS HB2 1 1 11 3003 1 1 11 LYS HB3 H 6.204 -2.423 1.877 1.00 . A A . 11 LYS HB3 1 1 11 3004 1 1 11 LYS HD2 H 8.359 -5.714 2.985 1.00 . A A . 11 LYS HD2 1 1 11 3005 1 1 11 LYS HD3 H 8.643 -3.995 3.234 1.00 . A A . 11 LYS HD3 1 1 11 3006 1 1 11 LYS HE2 H 7.965 -4.670 5.339 1.00 . A A . 11 LYS HE2 1 1 11 3007 1 1 11 LYS HE3 H 6.442 -4.121 4.648 1.00 . A A . 11 LYS HE3 1 1 11 3008 1 1 11 LYS HG2 H 5.876 -4.576 2.404 1.00 . A A . 11 LYS HG2 1 1 11 3009 1 1 11 LYS HG3 H 7.057 -5.152 1.237 1.00 . A A . 11 LYS HG3 1 1 11 3010 1 1 11 LYS HZ1 H 7.337 -6.956 4.705 1.00 . A A . 11 LYS HZ1 1 1 11 3011 1 1 11 LYS HZ2 H 6.265 -6.267 5.818 1.00 . A A . 11 LYS HZ2 1 1 11 3012 1 1 11 LYS HZ3 H 5.830 -6.384 4.187 1.00 . A A . 11 LYS HZ3 1 1 11 3013 1 1 11 LYS N N 8.328 -2.355 -0.555 1.00 . A A . 11 LYS N 1 1 11 3014 1 1 11 LYS NZ N 6.621 -6.214 4.843 1.00 . A A . 11 LYS NZ 1 1 11 3015 1 1 11 LYS O O 5.956 -0.731 -0.570 1.00 . A A . 11 LYS O 1 1 11 3016 1 1 12 THR C C 2.162 -2.820 -0.564 1.00 . A A . 12 THR C 1 1 11 3017 1 1 12 THR CA C 3.338 -2.081 -1.257 1.00 . A A . 12 THR CA 1 1 11 3018 1 1 12 THR CB C 3.131 -2.037 -2.823 1.00 . A A . 12 THR CB 1 1 11 3019 1 1 12 THR CG2 C 3.894 -0.876 -3.467 1.00 . A A . 12 THR CG2 1 1 11 3020 1 1 12 THR H H 4.659 -3.674 -0.735 1.00 . A A . 12 THR H 1 1 11 3021 1 1 12 THR HA H 3.339 -1.060 -0.894 1.00 . A A . 12 THR HA 1 1 11 3022 1 1 12 THR HB H 2.078 -1.887 -3.011 1.00 . A A . 12 THR HB 1 1 11 3023 1 1 12 THR HG1 H 2.813 -3.908 -3.374 1.00 . A A . 12 THR HG1 1 1 11 3024 1 1 12 THR HG21 H 4.885 -0.816 -3.040 1.00 . A A . 12 THR HG21 1 1 11 3025 1 1 12 THR HG22 H 3.970 -1.043 -4.531 1.00 . A A . 12 THR HG22 1 1 11 3026 1 1 12 THR HG23 H 3.366 0.048 -3.284 1.00 . A A . 12 THR HG23 1 1 11 3027 1 1 12 THR N N 4.643 -2.694 -0.826 1.00 . A A . 12 THR N 1 1 11 3028 1 1 12 THR O O 2.087 -4.094 -0.628 1.00 . A A . 12 THR O 1 1 11 3029 1 1 12 THR OG1 O 3.531 -3.273 -3.433 1.00 . A A . 12 THR OG1 1 1 11 3030 1 1 13 ILE C C -1.175 -1.555 0.592 1.00 . A A . 13 ILE C 1 1 11 3031 1 1 13 ILE CA C 0.086 -2.449 0.923 1.00 . A A . 13 ILE CA 1 1 11 3032 1 1 13 ILE CB C 0.465 -2.615 2.508 1.00 . A A . 13 ILE CB 1 1 11 3033 1 1 13 ILE CD1 C 0.096 -4.847 3.832 1.00 . A A . 13 ILE CD1 1 1 11 3034 1 1 13 ILE CG1 C -0.536 -3.575 3.274 1.00 . A A . 13 ILE CG1 1 1 11 3035 1 1 13 ILE CG2 C 0.706 -1.285 3.307 1.00 . A A . 13 ILE CG2 1 1 11 3036 1 1 13 ILE H H 1.465 -1.024 0.141 1.00 . A A . 13 ILE H 1 1 11 3037 1 1 13 ILE HA H -0.139 -3.443 0.551 1.00 . A A . 13 ILE HA 1 1 11 3038 1 1 13 ILE HB H 1.430 -3.104 2.503 1.00 . A A . 13 ILE HB 1 1 11 3039 1 1 13 ILE HD11 H 0.942 -4.581 4.447 1.00 . A A . 13 ILE HD11 1 1 11 3040 1 1 13 ILE HD12 H -0.631 -5.380 4.425 1.00 . A A . 13 ILE HD12 1 1 11 3041 1 1 13 ILE HD13 H 0.425 -5.473 3.016 1.00 . A A . 13 ILE HD13 1 1 11 3042 1 1 13 ILE HG12 H -0.980 -3.049 4.105 1.00 . A A . 13 ILE HG12 1 1 11 3043 1 1 13 ILE HG13 H -1.323 -3.874 2.597 1.00 . A A . 13 ILE HG13 1 1 11 3044 1 1 13 ILE HG21 H 1.518 -0.735 2.854 1.00 . A A . 13 ILE HG21 1 1 11 3045 1 1 13 ILE HG22 H -0.190 -0.685 3.290 1.00 . A A . 13 ILE HG22 1 1 11 3046 1 1 13 ILE HG23 H 0.959 -1.528 4.330 1.00 . A A . 13 ILE HG23 1 1 11 3047 1 1 13 ILE N N 1.280 -1.989 0.138 1.00 . A A . 13 ILE N 1 1 11 3048 1 1 13 ILE O O -1.075 -0.306 0.709 1.00 . A A . 13 ILE O 1 1 11 3049 1 1 14 THR C C -4.768 -2.100 0.805 1.00 . A A . 14 THR C 1 1 11 3050 1 1 14 THR CA C -3.640 -1.661 -0.167 1.00 . A A . 14 THR CA 1 1 11 3051 1 1 14 THR CB C -4.102 -2.006 -1.635 1.00 . A A . 14 THR CB 1 1 11 3052 1 1 14 THR CG2 C -3.484 -1.086 -2.663 1.00 . A A . 14 THR CG2 1 1 11 3053 1 1 14 THR H H -2.237 -3.239 0.153 1.00 . A A . 14 THR H 1 1 11 3054 1 1 14 THR HA H -3.538 -0.587 -0.093 1.00 . A A . 14 THR HA 1 1 11 3055 1 1 14 THR HB H -5.175 -1.861 -1.677 1.00 . A A . 14 THR HB 1 1 11 3056 1 1 14 THR HG1 H -2.877 -3.539 -1.873 1.00 . A A . 14 THR HG1 1 1 11 3057 1 1 14 THR HG21 H -3.379 -0.093 -2.248 1.00 . A A . 14 THR HG21 1 1 11 3058 1 1 14 THR HG22 H -2.517 -1.464 -2.953 1.00 . A A . 14 THR HG22 1 1 11 3059 1 1 14 THR HG23 H -4.131 -1.044 -3.529 1.00 . A A . 14 THR HG23 1 1 11 3060 1 1 14 THR N N -2.306 -2.262 0.199 1.00 . A A . 14 THR N 1 1 11 3061 1 1 14 THR O O -4.761 -3.282 1.281 1.00 . A A . 14 THR O 1 1 11 3062 1 1 14 THR OG1 O -3.817 -3.372 -1.976 1.00 . A A . 14 THR OG1 1 1 11 3063 1 1 15 LEU C C -8.168 -1.460 0.910 1.00 . A A . 15 LEU C 1 1 11 3064 1 1 15 LEU CA C -6.954 -1.316 1.873 1.00 . A A . 15 LEU CA 1 1 11 3065 1 1 15 LEU CB C -7.099 -0.171 2.924 1.00 . A A . 15 LEU CB 1 1 11 3066 1 1 15 LEU CD1 C -6.112 -0.210 5.295 1.00 . A A . 15 LEU CD1 1 1 11 3067 1 1 15 LEU CD2 C -8.595 -0.128 5.008 1.00 . A A . 15 LEU CD2 1 1 11 3068 1 1 15 LEU CG C -7.283 -0.639 4.410 1.00 . A A . 15 LEU CG 1 1 11 3069 1 1 15 LEU H H -5.655 -0.261 0.570 1.00 . A A . 15 LEU H 1 1 11 3070 1 1 15 LEU HA H -6.830 -2.261 2.392 1.00 . A A . 15 LEU HA 1 1 11 3071 1 1 15 LEU HB2 H -6.214 0.451 2.851 1.00 . A A . 15 LEU HB2 1 1 11 3072 1 1 15 LEU HB3 H -7.950 0.430 2.636 1.00 . A A . 15 LEU HB3 1 1 11 3073 1 1 15 LEU HD11 H -5.193 -0.616 4.899 1.00 . A A . 15 LEU HD11 1 1 11 3074 1 1 15 LEU HD12 H -6.050 0.868 5.312 1.00 . A A . 15 LEU HD12 1 1 11 3075 1 1 15 LEU HD13 H -6.265 -0.577 6.299 1.00 . A A . 15 LEU HD13 1 1 11 3076 1 1 15 LEU HD21 H -8.631 0.949 4.930 1.00 . A A . 15 LEU HD21 1 1 11 3077 1 1 15 LEU HD22 H -9.428 -0.556 4.470 1.00 . A A . 15 LEU HD22 1 1 11 3078 1 1 15 LEU HD23 H -8.653 -0.415 6.048 1.00 . A A . 15 LEU HD23 1 1 11 3079 1 1 15 LEU HG H -7.317 -1.721 4.431 1.00 . A A . 15 LEU HG 1 1 11 3080 1 1 15 LEU N N -5.748 -1.128 1.035 1.00 . A A . 15 LEU N 1 1 11 3081 1 1 15 LEU O O -8.539 -0.475 0.184 1.00 . A A . 15 LEU O 1 1 11 3082 1 1 16 GLU C C -10.950 -3.925 0.758 1.00 . A A . 16 GLU C 1 1 11 3083 1 1 16 GLU CA C -9.835 -3.182 -0.027 1.00 . A A . 16 GLU CA 1 1 11 3084 1 1 16 GLU CB C -9.286 -4.068 -1.176 1.00 . A A . 16 GLU CB 1 1 11 3085 1 1 16 GLU CD C -8.571 -4.180 -3.631 1.00 . A A . 16 GLU CD 1 1 11 3086 1 1 16 GLU CG C -8.873 -3.288 -2.431 1.00 . A A . 16 GLU CG 1 1 11 3087 1 1 16 GLU H H -8.295 -3.440 1.422 1.00 . A A . 16 GLU H 1 1 11 3088 1 1 16 GLU HA H -10.263 -2.287 -0.455 1.00 . A A . 16 GLU HA 1 1 11 3089 1 1 16 GLU HB2 H -8.416 -4.599 -0.816 1.00 . A A . 16 GLU HB2 1 1 11 3090 1 1 16 GLU HB3 H -10.043 -4.783 -1.457 1.00 . A A . 16 GLU HB3 1 1 11 3091 1 1 16 GLU HG2 H -9.674 -2.616 -2.698 1.00 . A A . 16 GLU HG2 1 1 11 3092 1 1 16 GLU HG3 H -7.986 -2.709 -2.201 1.00 . A A . 16 GLU HG3 1 1 11 3093 1 1 16 GLU N N -8.708 -2.746 0.861 1.00 . A A . 16 GLU N 1 1 11 3094 1 1 16 GLU O O -10.637 -4.701 1.715 1.00 . A A . 16 GLU O 1 1 11 3095 1 1 16 GLU OE1 O -9.506 -4.462 -4.416 1.00 . A A . 16 GLU OE1 1 1 11 3096 1 1 16 GLU OE2 O -7.397 -4.582 -3.797 1.00 . A A . 16 GLU OE2 1 1 11 3097 1 1 17 VAL C C -13.997 -5.486 0.110 1.00 . A A . 17 VAL C 1 1 11 3098 1 1 17 VAL CA C -13.517 -4.241 0.905 1.00 . A A . 17 VAL CA 1 1 11 3099 1 1 17 VAL CB C -14.728 -3.195 1.121 1.00 . A A . 17 VAL CB 1 1 11 3100 1 1 17 VAL CG1 C -14.511 -2.385 2.395 1.00 . A A . 17 VAL CG1 1 1 11 3101 1 1 17 VAL CG2 C -15.027 -2.215 -0.061 1.00 . A A . 17 VAL CG2 1 1 11 3102 1 1 17 VAL H H -12.356 -3.032 -0.433 1.00 . A A . 17 VAL H 1 1 11 3103 1 1 17 VAL HA H -13.238 -4.605 1.888 1.00 . A A . 17 VAL HA 1 1 11 3104 1 1 17 VAL HB H -15.619 -3.788 1.283 1.00 . A A . 17 VAL HB 1 1 11 3105 1 1 17 VAL HG11 H -14.205 -3.043 3.193 1.00 . A A . 17 VAL HG11 1 1 11 3106 1 1 17 VAL HG12 H -13.743 -1.645 2.224 1.00 . A A . 17 VAL HG12 1 1 11 3107 1 1 17 VAL HG13 H -15.432 -1.891 2.667 1.00 . A A . 17 VAL HG13 1 1 11 3108 1 1 17 VAL HG21 H -15.010 -2.759 -0.993 1.00 . A A . 17 VAL HG21 1 1 11 3109 1 1 17 VAL HG22 H -16.001 -1.771 0.078 1.00 . A A . 17 VAL HG22 1 1 11 3110 1 1 17 VAL HG23 H -14.275 -1.440 -0.084 1.00 . A A . 17 VAL HG23 1 1 11 3111 1 1 17 VAL N N -12.246 -3.655 0.319 1.00 . A A . 17 VAL N 1 1 11 3112 1 1 17 VAL O O -14.359 -6.489 0.760 1.00 . A A . 17 VAL O 1 1 11 3113 1 1 17 VAL OXT O -14.005 -5.443 -1.146 1.00 . A A . 17 VAL OXT 1 1 12 3114 1 1 1 MET C C -11.254 1.353 -0.773 1.00 . A A . 1 MET C 1 1 12 3115 1 1 1 MET CA C -12.681 1.953 -0.628 1.00 . A A . 1 MET CA 1 1 12 3116 1 1 1 MET CB C -12.769 2.963 0.607 1.00 . A A . 1 MET CB 1 1 12 3117 1 1 1 MET CE C -15.070 3.472 3.429 1.00 . A A . 1 MET CE 1 1 12 3118 1 1 1 MET CG C -12.898 2.397 2.060 1.00 . A A . 1 MET CG 1 1 12 3119 1 1 1 MET H1 H -13.462 0.125 0.065 1.00 . A A . 1 MET H1 1 1 12 3120 1 1 1 MET H2 H -14.644 1.294 -0.243 1.00 . A A . 1 MET H2 1 1 12 3121 1 1 1 MET H3 H -13.897 0.490 -1.530 1.00 . A A . 1 MET H3 1 1 12 3122 1 1 1 MET HA H -12.869 2.524 -1.529 1.00 . A A . 1 MET HA 1 1 12 3123 1 1 1 MET HB2 H -11.875 3.571 0.595 1.00 . A A . 1 MET HB2 1 1 12 3124 1 1 1 MET HB3 H -13.616 3.617 0.437 1.00 . A A . 1 MET HB3 1 1 12 3125 1 1 1 MET HE1 H -15.513 3.445 2.444 1.00 . A A . 1 MET HE1 1 1 12 3126 1 1 1 MET HE2 H -15.284 2.549 3.946 1.00 . A A . 1 MET HE2 1 1 12 3127 1 1 1 MET HE3 H -15.480 4.302 3.986 1.00 . A A . 1 MET HE3 1 1 12 3128 1 1 1 MET HG2 H -13.681 1.655 2.075 1.00 . A A . 1 MET HG2 1 1 12 3129 1 1 1 MET HG3 H -11.961 1.936 2.336 1.00 . A A . 1 MET HG3 1 1 12 3130 1 1 1 MET N N -13.748 0.889 -0.580 1.00 . A A . 1 MET N 1 1 12 3131 1 1 1 MET O O -10.932 0.349 -0.068 1.00 . A A . 1 MET O 1 1 12 3132 1 1 1 MET SD S -13.295 3.675 3.275 1.00 . A A . 1 MET SD 1 1 12 3133 1 1 2 GLN C C -8.102 2.906 -1.758 1.00 . A A . 2 GLN C 1 1 12 3134 1 1 2 GLN CA C -9.014 1.674 -1.975 1.00 . A A . 2 GLN CA 1 1 12 3135 1 1 2 GLN CB C -8.845 1.078 -3.397 1.00 . A A . 2 GLN CB 1 1 12 3136 1 1 2 GLN CD C -9.323 -0.952 -4.879 1.00 . A A . 2 GLN CD 1 1 12 3137 1 1 2 GLN CG C -9.041 -0.437 -3.465 1.00 . A A . 2 GLN CG 1 1 12 3138 1 1 2 GLN H H -10.802 2.804 -2.146 1.00 . A A . 2 GLN H 1 1 12 3139 1 1 2 GLN HA H -8.722 0.926 -1.250 1.00 . A A . 2 GLN HA 1 1 12 3140 1 1 2 GLN HB2 H -9.558 1.543 -4.058 1.00 . A A . 2 GLN HB2 1 1 12 3141 1 1 2 GLN HB3 H -7.843 1.301 -3.745 1.00 . A A . 2 GLN HB3 1 1 12 3142 1 1 2 GLN HE21 H -7.370 -1.277 -5.228 1.00 . A A . 2 GLN HE21 1 1 12 3143 1 1 2 GLN HE22 H -8.444 -1.669 -6.523 1.00 . A A . 2 GLN HE22 1 1 12 3144 1 1 2 GLN HG2 H -8.143 -0.917 -3.101 1.00 . A A . 2 GLN HG2 1 1 12 3145 1 1 2 GLN HG3 H -9.871 -0.706 -2.829 1.00 . A A . 2 GLN HG3 1 1 12 3146 1 1 2 GLN N N -10.432 2.022 -1.677 1.00 . A A . 2 GLN N 1 1 12 3147 1 1 2 GLN NE2 N -8.271 -1.338 -5.617 1.00 . A A . 2 GLN NE2 1 1 12 3148 1 1 2 GLN O O -8.409 4.033 -2.273 1.00 . A A . 2 GLN O 1 1 12 3149 1 1 2 GLN OE1 O -10.480 -1.016 -5.307 1.00 . A A . 2 GLN OE1 1 1 12 3150 1 1 3 ILE C C -4.561 2.953 -0.500 1.00 . A A . 3 ILE C 1 1 12 3151 1 1 3 ILE CA C -5.942 3.654 -0.557 1.00 . A A . 3 ILE CA 1 1 12 3152 1 1 3 ILE CB C -6.252 4.510 0.780 1.00 . A A . 3 ILE CB 1 1 12 3153 1 1 3 ILE CD1 C -6.100 3.635 3.250 1.00 . A A . 3 ILE CD1 1 1 12 3154 1 1 3 ILE CG1 C -6.916 3.687 1.972 1.00 . A A . 3 ILE CG1 1 1 12 3155 1 1 3 ILE CG2 C -7.120 5.727 0.416 1.00 . A A . 3 ILE CG2 1 1 12 3156 1 1 3 ILE H H -6.885 1.741 -0.605 1.00 . A A . 3 ILE H 1 1 12 3157 1 1 3 ILE HA H -5.884 4.356 -1.384 1.00 . A A . 3 ILE HA 1 1 12 3158 1 1 3 ILE HB H -5.302 4.903 1.116 1.00 . A A . 3 ILE HB 1 1 12 3159 1 1 3 ILE HD11 H -5.613 4.585 3.406 1.00 . A A . 3 ILE HD11 1 1 12 3160 1 1 3 ILE HD12 H -6.758 3.426 4.082 1.00 . A A . 3 ILE HD12 1 1 12 3161 1 1 3 ILE HD13 H -5.359 2.854 3.173 1.00 . A A . 3 ILE HD13 1 1 12 3162 1 1 3 ILE HG21 H -6.742 6.180 -0.488 1.00 . A A . 3 ILE HG21 1 1 12 3163 1 1 3 ILE HG22 H -8.140 5.407 0.261 1.00 . A A . 3 ILE HG22 1 1 12 3164 1 1 3 ILE HG23 H -7.088 6.446 1.221 1.00 . A A . 3 ILE HG23 1 1 12 3165 1 1 3 ILE N N -6.995 2.654 -0.958 1.00 . A A . 3 ILE N 1 1 12 3166 1 1 3 ILE O O -4.410 1.925 0.232 1.00 . A A . 3 ILE O 1 1 12 3167 1 1 4 PHE C C -1.161 3.821 -0.715 1.00 . A A . 4 PHE C 1 1 12 3168 1 1 4 PHE CA C -2.209 3.014 -1.523 1.00 . A A . 4 PHE CA 1 1 12 3169 1 1 4 PHE CB C -1.863 3.014 -3.051 1.00 . A A . 4 PHE CB 1 1 12 3170 1 1 4 PHE CD1 C -3.382 1.238 -4.403 1.00 . A A . 4 PHE CD1 1 1 12 3171 1 1 4 PHE CD2 C -0.812 0.779 -4.047 1.00 . A A . 4 PHE CD2 1 1 12 3172 1 1 4 PHE CE1 C -3.507 -0.056 -5.175 1.00 . A A . 4 PHE CE1 1 1 12 3173 1 1 4 PHE CE2 C -0.942 -0.513 -4.830 1.00 . A A . 4 PHE CE2 1 1 12 3174 1 1 4 PHE CG C -2.025 1.683 -3.813 1.00 . A A . 4 PHE CG 1 1 12 3175 1 1 4 PHE CZ C -2.287 -0.930 -5.392 1.00 . A A . 4 PHE CZ 1 1 12 3176 1 1 4 PHE H H -3.865 4.288 -1.884 1.00 . A A . 4 PHE H 1 1 12 3177 1 1 4 PHE HA H -2.187 1.993 -1.173 1.00 . A A . 4 PHE HA 1 1 12 3178 1 1 4 PHE HB2 H -2.495 3.737 -3.542 1.00 . A A . 4 PHE HB2 1 1 12 3179 1 1 4 PHE HB3 H -0.834 3.329 -3.164 1.00 . A A . 4 PHE HB3 1 1 12 3180 1 1 4 PHE HD1 H -4.257 1.849 -4.245 1.00 . A A . 4 PHE HD1 1 1 12 3181 1 1 4 PHE HD2 H 0.146 1.066 -3.645 1.00 . A A . 4 PHE HD2 1 1 12 3182 1 1 4 PHE HE1 H -4.465 -0.356 -5.569 1.00 . A A . 4 PHE HE1 1 1 12 3183 1 1 4 PHE HE2 H -0.076 -1.138 -4.985 1.00 . A A . 4 PHE HE2 1 1 12 3184 1 1 4 PHE HZ H -2.376 -1.851 -5.949 1.00 . A A . 4 PHE HZ 1 1 12 3185 1 1 4 PHE N N -3.601 3.513 -1.338 1.00 . A A . 4 PHE N 1 1 12 3186 1 1 4 PHE O O -1.281 5.078 -0.600 1.00 . A A . 4 PHE O 1 1 12 3187 1 1 5 VAL C C 2.293 2.680 0.348 1.00 . A A . 5 VAL C 1 1 12 3188 1 1 5 VAL CA C 1.026 3.534 0.652 1.00 . A A . 5 VAL CA 1 1 12 3189 1 1 5 VAL CB C 0.764 3.655 2.243 1.00 . A A . 5 VAL CB 1 1 12 3190 1 1 5 VAL CG1 C 0.059 4.965 2.563 1.00 . A A . 5 VAL CG1 1 1 12 3191 1 1 5 VAL CG2 C -0.021 2.485 2.911 1.00 . A A . 5 VAL CG2 1 1 12 3192 1 1 5 VAL H H -0.169 2.075 -0.347 1.00 . A A . 5 VAL H 1 1 12 3193 1 1 5 VAL HA H 1.239 4.534 0.283 1.00 . A A . 5 VAL HA 1 1 12 3194 1 1 5 VAL HB H 1.738 3.699 2.718 1.00 . A A . 5 VAL HB 1 1 12 3195 1 1 5 VAL HG11 H 0.640 5.789 2.177 1.00 . A A . 5 VAL HG11 1 1 12 3196 1 1 5 VAL HG12 H -0.919 4.969 2.107 1.00 . A A . 5 VAL HG12 1 1 12 3197 1 1 5 VAL HG13 H -0.043 5.067 3.634 1.00 . A A . 5 VAL HG13 1 1 12 3198 1 1 5 VAL HG21 H 0.414 1.542 2.610 1.00 . A A . 5 VAL HG21 1 1 12 3199 1 1 5 VAL HG22 H 0.034 2.580 3.984 1.00 . A A . 5 VAL HG22 1 1 12 3200 1 1 5 VAL HG23 H -1.055 2.521 2.600 1.00 . A A . 5 VAL HG23 1 1 12 3201 1 1 5 VAL N N -0.141 3.042 -0.174 1.00 . A A . 5 VAL N 1 1 12 3202 1 1 5 VAL O O 2.210 1.413 0.397 1.00 . A A . 5 VAL O 1 1 12 3203 1 1 6 LYS C C 5.842 3.064 0.731 1.00 . A A . 6 LYS C 1 1 12 3204 1 1 6 LYS CA C 4.756 2.830 -0.361 1.00 . A A . 6 LYS CA 1 1 12 3205 1 1 6 LYS CB C 5.215 3.397 -1.729 1.00 . A A . 6 LYS CB 1 1 12 3206 1 1 6 LYS CD C 5.777 2.844 -4.178 1.00 . A A . 6 LYS CD 1 1 12 3207 1 1 6 LYS CE C 7.178 2.779 -4.791 1.00 . A A . 6 LYS CE 1 1 12 3208 1 1 6 LYS CG C 5.737 2.339 -2.716 1.00 . A A . 6 LYS CG 1 1 12 3209 1 1 6 LYS H H 3.352 4.393 -0.019 1.00 . A A . 6 LYS H 1 1 12 3210 1 1 6 LYS HA H 4.611 1.762 -0.457 1.00 . A A . 6 LYS HA 1 1 12 3211 1 1 6 LYS HB2 H 4.380 3.901 -2.190 1.00 . A A . 6 LYS HB2 1 1 12 3212 1 1 6 LYS HB3 H 6.003 4.115 -1.556 1.00 . A A . 6 LYS HB3 1 1 12 3213 1 1 6 LYS HD2 H 5.121 2.224 -4.769 1.00 . A A . 6 LYS HD2 1 1 12 3214 1 1 6 LYS HD3 H 5.427 3.869 -4.222 1.00 . A A . 6 LYS HD3 1 1 12 3215 1 1 6 LYS HE2 H 7.817 3.482 -4.276 1.00 . A A . 6 LYS HE2 1 1 12 3216 1 1 6 LYS HE3 H 7.567 1.779 -4.661 1.00 . A A . 6 LYS HE3 1 1 12 3217 1 1 6 LYS HG2 H 6.730 2.044 -2.403 1.00 . A A . 6 LYS HG2 1 1 12 3218 1 1 6 LYS HG3 H 5.085 1.478 -2.666 1.00 . A A . 6 LYS HG3 1 1 12 3219 1 1 6 LYS HZ1 H 6.764 4.059 -6.389 1.00 . A A . 6 LYS HZ1 1 1 12 3220 1 1 6 LYS HZ2 H 8.132 3.093 -6.623 1.00 . A A . 6 LYS HZ2 1 1 12 3221 1 1 6 LYS HZ3 H 6.588 2.418 -6.762 1.00 . A A . 6 LYS HZ3 1 1 12 3222 1 1 6 LYS N N 3.428 3.414 0.005 1.00 . A A . 6 LYS N 1 1 12 3223 1 1 6 LYS NZ N 7.165 3.110 -6.243 1.00 . A A . 6 LYS NZ 1 1 12 3224 1 1 6 LYS O O 5.855 4.149 1.386 1.00 . A A . 6 LYS O 1 1 12 3225 1 1 7 THR C C 9.267 1.965 1.084 1.00 . A A . 7 THR C 1 1 12 3226 1 1 7 THR CA C 7.903 1.945 1.837 1.00 . A A . 7 THR CA 1 1 12 3227 1 1 7 THR CB C 7.854 0.683 2.777 1.00 . A A . 7 THR CB 1 1 12 3228 1 1 7 THR CG2 C 6.912 0.884 3.968 1.00 . A A . 7 THR CG2 1 1 12 3229 1 1 7 THR H H 6.618 1.222 0.293 1.00 . A A . 7 THR H 1 1 12 3230 1 1 7 THR HA H 7.851 2.828 2.460 1.00 . A A . 7 THR HA 1 1 12 3231 1 1 7 THR HB H 8.849 0.525 3.165 1.00 . A A . 7 THR HB 1 1 12 3232 1 1 7 THR HG1 H 6.601 -0.355 1.660 1.00 . A A . 7 THR HG1 1 1 12 3233 1 1 7 THR HG21 H 6.042 1.439 3.649 1.00 . A A . 7 THR HG21 1 1 12 3234 1 1 7 THR HG22 H 6.605 -0.080 4.348 1.00 . A A . 7 THR HG22 1 1 12 3235 1 1 7 THR HG23 H 7.424 1.431 4.745 1.00 . A A . 7 THR HG23 1 1 12 3236 1 1 7 THR N N 6.740 2.007 0.875 1.00 . A A . 7 THR N 1 1 12 3237 1 1 7 THR O O 9.366 1.402 -0.047 1.00 . A A . 7 THR O 1 1 12 3238 1 1 7 THR OG1 O 7.465 -0.491 2.054 1.00 . A A . 7 THR OG1 1 1 12 3239 1 1 8 LEU C C 12.527 1.448 1.005 1.00 . A A . 8 LEU C 1 1 12 3240 1 1 8 LEU CA C 11.743 2.804 1.246 1.00 . A A . 8 LEU CA 1 1 12 3241 1 1 8 LEU CB C 12.527 3.731 2.230 1.00 . A A . 8 LEU CB 1 1 12 3242 1 1 8 LEU CD1 C 12.177 6.276 2.380 1.00 . A A . 8 LEU CD1 1 1 12 3243 1 1 8 LEU CD2 C 14.427 5.386 1.739 1.00 . A A . 8 LEU CD2 1 1 12 3244 1 1 8 LEU CG C 12.918 5.143 1.665 1.00 . A A . 8 LEU CG 1 1 12 3245 1 1 8 LEU H H 10.097 3.022 2.628 1.00 . A A . 8 LEU H 1 1 12 3246 1 1 8 LEU HA H 11.673 3.307 0.293 1.00 . A A . 8 LEU HA 1 1 12 3247 1 1 8 LEU HB2 H 11.916 3.857 3.115 1.00 . A A . 8 LEU HB2 1 1 12 3248 1 1 8 LEU HB3 H 13.427 3.207 2.523 1.00 . A A . 8 LEU HB3 1 1 12 3249 1 1 8 LEU HD11 H 11.111 6.127 2.279 1.00 . A A . 8 LEU HD11 1 1 12 3250 1 1 8 LEU HD12 H 12.443 6.277 3.426 1.00 . A A . 8 LEU HD12 1 1 12 3251 1 1 8 LEU HD13 H 12.452 7.221 1.937 1.00 . A A . 8 LEU HD13 1 1 12 3252 1 1 8 LEU HD21 H 14.752 5.321 2.767 1.00 . A A . 8 LEU HD21 1 1 12 3253 1 1 8 LEU HD22 H 14.940 4.642 1.150 1.00 . A A . 8 LEU HD22 1 1 12 3254 1 1 8 LEU HD23 H 14.651 6.370 1.352 1.00 . A A . 8 LEU HD23 1 1 12 3255 1 1 8 LEU HG H 12.635 5.187 0.621 1.00 . A A . 8 LEU HG 1 1 12 3256 1 1 8 LEU N N 10.310 2.629 1.750 1.00 . A A . 8 LEU N 1 1 12 3257 1 1 8 LEU O O 13.541 1.455 0.236 1.00 . A A . 8 LEU O 1 1 12 3258 1 1 9 ASP C C 12.327 -1.767 0.156 1.00 . A A . 9 ASP C 1 1 12 3259 1 1 9 ASP CA C 12.567 -1.101 1.549 1.00 . A A . 9 ASP CA 1 1 12 3260 1 1 9 ASP CB C 11.990 -1.992 2.678 1.00 . A A . 9 ASP CB 1 1 12 3261 1 1 9 ASP CG C 12.625 -1.722 4.039 1.00 . A A . 9 ASP CG 1 1 12 3262 1 1 9 ASP H H 11.199 0.431 2.183 1.00 . A A . 9 ASP H 1 1 12 3263 1 1 9 ASP HA H 13.635 -1.022 1.693 1.00 . A A . 9 ASP HA 1 1 12 3264 1 1 9 ASP HB2 H 10.929 -1.812 2.760 1.00 . A A . 9 ASP HB2 1 1 12 3265 1 1 9 ASP HB3 H 12.155 -3.029 2.425 1.00 . A A . 9 ASP HB3 1 1 12 3266 1 1 9 ASP N N 12.009 0.308 1.642 1.00 . A A . 9 ASP N 1 1 12 3267 1 1 9 ASP O O 13.250 -2.487 -0.317 1.00 . A A . 9 ASP O 1 1 12 3268 1 1 9 ASP OD1 O 12.101 -0.860 4.782 1.00 . A A . 9 ASP OD1 1 1 12 3269 1 1 9 ASP OD2 O 13.637 -2.381 4.368 1.00 . A A . 9 ASP OD2 1 1 12 3270 1 1 10 GLY C C 9.513 -2.981 -1.752 1.00 . A A . 10 GLY C 1 1 12 3271 1 1 10 GLY CA C 10.681 -1.997 -1.802 1.00 . A A . 10 GLY CA 1 1 12 3272 1 1 10 GLY H H 10.476 -0.891 0.011 1.00 . A A . 10 GLY H 1 1 12 3273 1 1 10 GLY HA2 H 11.528 -2.486 -2.262 1.00 . A A . 10 GLY HA2 1 1 12 3274 1 1 10 GLY HA3 H 10.394 -1.159 -2.417 1.00 . A A . 10 GLY HA3 1 1 12 3275 1 1 10 GLY N N 11.100 -1.485 -0.466 1.00 . A A . 10 GLY N 1 1 12 3276 1 1 10 GLY O O 9.644 -4.081 -2.350 1.00 . A A . 10 GLY O 1 1 12 3277 1 1 11 LYS C C 5.850 -2.406 -0.891 1.00 . A A . 11 LYS C 1 1 12 3278 1 1 11 LYS CA C 7.095 -3.344 -0.870 1.00 . A A . 11 LYS CA 1 1 12 3279 1 1 11 LYS CB C 7.087 -4.317 0.400 1.00 . A A . 11 LYS CB 1 1 12 3280 1 1 11 LYS CD C 8.352 -4.767 2.608 1.00 . A A . 11 LYS CD 1 1 12 3281 1 1 11 LYS CE C 8.296 -4.495 4.111 1.00 . A A . 11 LYS CE 1 1 12 3282 1 1 11 LYS CG C 7.538 -3.754 1.789 1.00 . A A . 11 LYS CG 1 1 12 3283 1 1 11 LYS H H 8.411 -1.665 -0.633 1.00 . A A . 11 LYS H 1 1 12 3284 1 1 11 LYS HA H 7.018 -3.967 -1.754 1.00 . A A . 11 LYS HA 1 1 12 3285 1 1 11 LYS HB2 H 6.079 -4.677 0.527 1.00 . A A . 11 LYS HB2 1 1 12 3286 1 1 11 LYS HB3 H 7.715 -5.165 0.159 1.00 . A A . 11 LYS HB3 1 1 12 3287 1 1 11 LYS HD2 H 7.964 -5.757 2.424 1.00 . A A . 11 LYS HD2 1 1 12 3288 1 1 11 LYS HD3 H 9.382 -4.721 2.285 1.00 . A A . 11 LYS HD3 1 1 12 3289 1 1 11 LYS HE2 H 9.223 -4.827 4.554 1.00 . A A . 11 LYS HE2 1 1 12 3290 1 1 11 LYS HE3 H 8.183 -3.432 4.278 1.00 . A A . 11 LYS HE3 1 1 12 3291 1 1 11 LYS HG2 H 8.147 -2.877 1.624 1.00 . A A . 11 LYS HG2 1 1 12 3292 1 1 11 LYS HG3 H 6.655 -3.474 2.347 1.00 . A A . 11 LYS HG3 1 1 12 3293 1 1 11 LYS HZ1 H 6.268 -4.960 4.311 1.00 . A A . 11 LYS HZ1 1 1 12 3294 1 1 11 LYS HZ2 H 7.305 -6.241 4.692 1.00 . A A . 11 LYS HZ2 1 1 12 3295 1 1 11 LYS HZ3 H 7.117 -4.954 5.775 1.00 . A A . 11 LYS HZ3 1 1 12 3296 1 1 11 LYS N N 8.382 -2.557 -1.046 1.00 . A A . 11 LYS N 1 1 12 3297 1 1 11 LYS NZ N 7.167 -5.213 4.768 1.00 . A A . 11 LYS NZ 1 1 12 3298 1 1 11 LYS O O 5.873 -1.342 -0.207 1.00 . A A . 11 LYS O 1 1 12 3299 1 1 12 THR C C 2.358 -2.757 -1.023 1.00 . A A . 12 THR C 1 1 12 3300 1 1 12 THR CA C 3.483 -2.112 -1.876 1.00 . A A . 12 THR CA 1 1 12 3301 1 1 12 THR CB C 3.026 -2.006 -3.377 1.00 . A A . 12 THR CB 1 1 12 3302 1 1 12 THR CG2 C 3.767 -0.894 -4.128 1.00 . A A . 12 THR CG2 1 1 12 3303 1 1 12 THR H H 4.903 -3.689 -2.174 1.00 . A A . 12 THR H 1 1 12 3304 1 1 12 THR HA H 3.632 -1.105 -1.507 1.00 . A A . 12 THR HA 1 1 12 3305 1 1 12 THR HB H 1.974 -1.764 -3.382 1.00 . A A . 12 THR HB 1 1 12 3306 1 1 12 THR HG1 H 2.364 -3.555 -4.413 1.00 . A A . 12 THR HG1 1 1 12 3307 1 1 12 THR HG21 H 3.793 -0.003 -3.518 1.00 . A A . 12 THR HG21 1 1 12 3308 1 1 12 THR HG22 H 4.778 -1.213 -4.340 1.00 . A A . 12 THR HG22 1 1 12 3309 1 1 12 THR HG23 H 3.256 -0.682 -5.054 1.00 . A A . 12 THR HG23 1 1 12 3310 1 1 12 THR N N 4.794 -2.840 -1.690 1.00 . A A . 12 THR N 1 1 12 3311 1 1 12 THR O O 2.245 -4.025 -0.982 1.00 . A A . 12 THR O 1 1 12 3312 1 1 12 THR OG1 O 3.208 -3.254 -4.066 1.00 . A A . 12 THR OG1 1 1 12 3313 1 1 13 ILE C C -0.831 -1.251 0.317 1.00 . A A . 13 ILE C 1 1 12 3314 1 1 13 ILE CA C 0.416 -2.192 0.593 1.00 . A A . 13 ILE CA 1 1 12 3315 1 1 13 ILE CB C 0.924 -2.274 2.153 1.00 . A A . 13 ILE CB 1 1 12 3316 1 1 13 ILE CD1 C 0.433 -4.324 3.709 1.00 . A A . 13 ILE CD1 1 1 12 3317 1 1 13 ILE CG1 C -0.097 -3.032 3.097 1.00 . A A . 13 ILE CG1 1 1 12 3318 1 1 13 ILE CG2 C 1.387 -0.920 2.799 1.00 . A A . 13 ILE CG2 1 1 12 3319 1 1 13 ILE H H 1.765 -0.888 -0.426 1.00 . A A . 13 ILE H 1 1 12 3320 1 1 13 ILE HA H 0.111 -3.194 0.310 1.00 . A A . 13 ILE HA 1 1 12 3321 1 1 13 ILE HB H 1.824 -2.874 2.112 1.00 . A A . 13 ILE HB 1 1 12 3322 1 1 13 ILE HD11 H 1.356 -4.117 4.232 1.00 . A A . 13 ILE HD11 1 1 12 3323 1 1 13 ILE HD12 H -0.294 -4.721 4.402 1.00 . A A . 13 ILE HD12 1 1 12 3324 1 1 13 ILE HD13 H 0.616 -5.046 2.927 1.00 . A A . 13 ILE HD13 1 1 12 3325 1 1 13 ILE HG12 H -0.387 -2.385 3.915 1.00 . A A . 13 ILE HG12 1 1 12 3326 1 1 13 ILE HG13 H -0.982 -3.280 2.527 1.00 . A A . 13 ILE HG13 1 1 12 3327 1 1 13 ILE HG21 H 2.191 -0.498 2.213 1.00 . A A . 13 ILE HG21 1 1 12 3328 1 1 13 ILE HG22 H 0.556 -0.231 2.827 1.00 . A A . 13 ILE HG22 1 1 12 3329 1 1 13 ILE HG23 H 1.734 -1.107 3.804 1.00 . A A . 13 ILE HG23 1 1 12 3330 1 1 13 ILE N N 1.559 -1.844 -0.326 1.00 . A A . 13 ILE N 1 1 12 3331 1 1 13 ILE O O -0.651 -0.008 0.269 1.00 . A A . 13 ILE O 1 1 12 3332 1 1 14 THR C C -4.526 -1.908 0.807 1.00 . A A . 14 THR C 1 1 12 3333 1 1 14 THR CA C -3.390 -1.266 -0.079 1.00 . A A . 14 THR CA 1 1 12 3334 1 1 14 THR CB C -3.782 -1.174 -1.650 1.00 . A A . 14 THR CB 1 1 12 3335 1 1 14 THR CG2 C -3.828 -2.518 -2.443 1.00 . A A . 14 THR CG2 1 1 12 3336 1 1 14 THR H H -2.040 -2.895 0.248 1.00 . A A . 14 THR H 1 1 12 3337 1 1 14 THR HA H -3.280 -0.244 0.271 1.00 . A A . 14 THR HA 1 1 12 3338 1 1 14 THR HB H -3.036 -0.549 -2.120 1.00 . A A . 14 THR HB 1 1 12 3339 1 1 14 THR HG1 H -4.958 0.162 -2.517 1.00 . A A . 14 THR HG1 1 1 12 3340 1 1 14 THR HG21 H -3.523 -3.329 -1.800 1.00 . A A . 14 THR HG21 1 1 12 3341 1 1 14 THR HG22 H -4.835 -2.693 -2.793 1.00 . A A . 14 THR HG22 1 1 12 3342 1 1 14 THR HG23 H -3.157 -2.454 -3.288 1.00 . A A . 14 THR HG23 1 1 12 3343 1 1 14 THR N N -2.046 -1.915 0.171 1.00 . A A . 14 THR N 1 1 12 3344 1 1 14 THR O O -4.462 -3.140 1.099 1.00 . A A . 14 THR O 1 1 12 3345 1 1 14 THR OG1 O -5.044 -0.504 -1.831 1.00 . A A . 14 THR OG1 1 1 12 3346 1 1 15 LEU C C -7.976 -1.605 1.055 1.00 . A A . 15 LEU C 1 1 12 3347 1 1 15 LEU CA C -6.746 -1.386 1.979 1.00 . A A . 15 LEU CA 1 1 12 3348 1 1 15 LEU CB C -7.013 -0.307 3.061 1.00 . A A . 15 LEU CB 1 1 12 3349 1 1 15 LEU CD1 C -5.471 0.319 5.014 1.00 . A A . 15 LEU CD1 1 1 12 3350 1 1 15 LEU CD2 C -7.684 -0.737 5.500 1.00 . A A . 15 LEU CD2 1 1 12 3351 1 1 15 LEU CG C -6.523 -0.667 4.507 1.00 . A A . 15 LEU CG 1 1 12 3352 1 1 15 LEU H H -5.481 -0.101 0.851 1.00 . A A . 15 LEU H 1 1 12 3353 1 1 15 LEU HA H -6.529 -2.326 2.469 1.00 . A A . 15 LEU HA 1 1 12 3354 1 1 15 LEU HB2 H -6.531 0.608 2.736 1.00 . A A . 15 LEU HB2 1 1 12 3355 1 1 15 LEU HB3 H -8.080 -0.127 3.086 1.00 . A A . 15 LEU HB3 1 1 12 3356 1 1 15 LEU HD11 H -5.862 1.324 4.959 1.00 . A A . 15 LEU HD11 1 1 12 3357 1 1 15 LEU HD12 H -5.223 0.084 6.039 1.00 . A A . 15 LEU HD12 1 1 12 3358 1 1 15 LEU HD13 H -4.583 0.243 4.403 1.00 . A A . 15 LEU HD13 1 1 12 3359 1 1 15 LEU HD21 H -8.400 -1.474 5.165 1.00 . A A . 15 LEU HD21 1 1 12 3360 1 1 15 LEU HD22 H -7.310 -1.015 6.474 1.00 . A A . 15 LEU HD22 1 1 12 3361 1 1 15 LEU HD23 H -8.165 0.228 5.560 1.00 . A A . 15 LEU HD23 1 1 12 3362 1 1 15 LEU HG H -6.058 -1.644 4.483 1.00 . A A . 15 LEU HG 1 1 12 3363 1 1 15 LEU N N -5.544 -1.030 1.169 1.00 . A A . 15 LEU N 1 1 12 3364 1 1 15 LEU O O -8.258 -0.745 0.157 1.00 . A A . 15 LEU O 1 1 12 3365 1 1 16 GLU C C -10.987 -3.815 1.457 1.00 . A A . 16 GLU C 1 1 12 3366 1 1 16 GLU CA C -9.878 -3.271 0.515 1.00 . A A . 16 GLU CA 1 1 12 3367 1 1 16 GLU CB C -9.479 -4.348 -0.533 1.00 . A A . 16 GLU CB 1 1 12 3368 1 1 16 GLU CD C -8.898 -4.819 -2.982 1.00 . A A . 16 GLU CD 1 1 12 3369 1 1 16 GLU CG C -9.012 -3.772 -1.878 1.00 . A A . 16 GLU CG 1 1 12 3370 1 1 16 GLU H H -8.335 -3.395 1.989 1.00 . A A . 16 GLU H 1 1 12 3371 1 1 16 GLU HA H -10.277 -2.413 -0.007 1.00 . A A . 16 GLU HA 1 1 12 3372 1 1 16 GLU HB2 H -8.678 -4.948 -0.127 1.00 . A A . 16 GLU HB2 1 1 12 3373 1 1 16 GLU HB3 H -10.333 -4.983 -0.717 1.00 . A A . 16 GLU HB3 1 1 12 3374 1 1 16 GLU HG2 H -9.718 -3.019 -2.195 1.00 . A A . 16 GLU HG2 1 1 12 3375 1 1 16 GLU HG3 H -8.041 -3.310 -1.738 1.00 . A A . 16 GLU HG3 1 1 12 3376 1 1 16 GLU N N -8.669 -2.798 1.281 1.00 . A A . 16 GLU N 1 1 12 3377 1 1 16 GLU O O -10.665 -4.480 2.492 1.00 . A A . 16 GLU O 1 1 12 3378 1 1 16 GLU OE1 O -7.803 -5.411 -3.134 1.00 . A A . 16 GLU OE1 1 1 12 3379 1 1 16 GLU OE2 O -9.896 -5.036 -3.706 1.00 . A A . 16 GLU OE2 1 1 12 3380 1 1 17 VAL C C -14.608 -4.523 0.832 1.00 . A A . 17 VAL C 1 1 12 3381 1 1 17 VAL CA C -13.554 -3.911 1.795 1.00 . A A . 17 VAL CA 1 1 12 3382 1 1 17 VAL CB C -14.216 -2.768 2.720 1.00 . A A . 17 VAL CB 1 1 12 3383 1 1 17 VAL CG1 C -13.474 -2.660 4.049 1.00 . A A . 17 VAL CG1 1 1 12 3384 1 1 17 VAL CG2 C -14.342 -1.342 2.091 1.00 . A A . 17 VAL CG2 1 1 12 3385 1 1 17 VAL H H -12.406 -2.983 0.237 1.00 . A A . 17 VAL H 1 1 12 3386 1 1 17 VAL HA H -13.255 -4.717 2.457 1.00 . A A . 17 VAL HA 1 1 12 3387 1 1 17 VAL HB H -15.217 -3.106 2.955 1.00 . A A . 17 VAL HB 1 1 12 3388 1 1 17 VAL HG11 H -13.276 -3.650 4.433 1.00 . A A . 17 VAL HG11 1 1 12 3389 1 1 17 VAL HG12 H -12.541 -2.138 3.898 1.00 . A A . 17 VAL HG12 1 1 12 3390 1 1 17 VAL HG13 H -14.081 -2.114 4.756 1.00 . A A . 17 VAL HG13 1 1 12 3391 1 1 17 VAL HG21 H -14.714 -1.427 1.081 1.00 . A A . 17 VAL HG21 1 1 12 3392 1 1 17 VAL HG22 H -15.024 -0.748 2.680 1.00 . A A . 17 VAL HG22 1 1 12 3393 1 1 17 VAL HG23 H -13.372 -0.868 2.078 1.00 . A A . 17 VAL HG23 1 1 12 3394 1 1 17 VAL N N -12.289 -3.508 1.061 1.00 . A A . 17 VAL N 1 1 12 3395 1 1 17 VAL O O -14.834 -3.956 -0.267 1.00 . A A . 17 VAL O 1 1 12 3396 1 1 17 VAL OXT O -15.194 -5.566 1.195 1.00 . A A . 17 VAL OXT 1 1 13 3397 1 1 1 MET C C -11.288 1.376 -0.987 1.00 . A A . 1 MET C 1 1 13 3398 1 1 1 MET CA C -12.678 2.009 -0.688 1.00 . A A . 1 MET CA 1 1 13 3399 1 1 1 MET CB C -12.725 2.578 0.756 1.00 . A A . 1 MET CB 1 1 13 3400 1 1 1 MET CE C -14.827 5.436 1.685 1.00 . A A . 1 MET CE 1 1 13 3401 1 1 1 MET CG C -12.527 4.094 0.861 1.00 . A A . 1 MET CG 1 1 13 3402 1 1 1 MET H1 H -13.651 0.224 -0.197 1.00 . A A . 1 MET H1 1 1 13 3403 1 1 1 MET H2 H -14.701 1.481 -0.625 1.00 . A A . 1 MET H2 1 1 13 3404 1 1 1 MET H3 H -13.819 0.672 -1.821 1.00 . A A . 1 MET H3 1 1 13 3405 1 1 1 MET HA H -12.845 2.813 -1.391 1.00 . A A . 1 MET HA 1 1 13 3406 1 1 1 MET HB2 H -13.686 2.342 1.188 1.00 . A A . 1 MET HB2 1 1 13 3407 1 1 1 MET HB3 H -11.950 2.098 1.341 1.00 . A A . 1 MET HB3 1 1 13 3408 1 1 1 MET HE1 H -15.331 4.651 1.138 1.00 . A A . 1 MET HE1 1 1 13 3409 1 1 1 MET HE2 H -15.455 5.771 2.497 1.00 . A A . 1 MET HE2 1 1 13 3410 1 1 1 MET HE3 H -14.622 6.264 1.022 1.00 . A A . 1 MET HE3 1 1 13 3411 1 1 1 MET HG2 H -11.466 4.303 0.888 1.00 . A A . 1 MET HG2 1 1 13 3412 1 1 1 MET HG3 H -12.963 4.563 -0.008 1.00 . A A . 1 MET HG3 1 1 13 3413 1 1 1 MET N N -13.791 1.027 -0.843 1.00 . A A . 1 MET N 1 1 13 3414 1 1 1 MET O O -11.048 0.178 -0.629 1.00 . A A . 1 MET O 1 1 13 3415 1 1 1 MET SD S -13.286 4.799 2.343 1.00 . A A . 1 MET SD 1 1 13 3416 1 1 2 GLN C C -8.033 3.031 -1.553 1.00 . A A . 2 GLN C 1 1 13 3417 1 1 2 GLN CA C -8.987 1.897 -2.008 1.00 . A A . 2 GLN CA 1 1 13 3418 1 1 2 GLN CB C -8.840 1.598 -3.527 1.00 . A A . 2 GLN CB 1 1 13 3419 1 1 2 GLN CD C -9.233 -0.080 -5.418 1.00 . A A . 2 GLN CD 1 1 13 3420 1 1 2 GLN CG C -9.129 0.145 -3.907 1.00 . A A . 2 GLN CG 1 1 13 3421 1 1 2 GLN H H -10.701 3.144 -1.841 1.00 . A A . 2 GLN H 1 1 13 3422 1 1 2 GLN HA H -8.723 1.006 -1.453 1.00 . A A . 2 GLN HA 1 1 13 3423 1 1 2 GLN HB2 H -9.516 2.233 -4.076 1.00 . A A . 2 GLN HB2 1 1 13 3424 1 1 2 GLN HB3 H -7.823 1.825 -3.823 1.00 . A A . 2 GLN HB3 1 1 13 3425 1 1 2 GLN HE21 H -7.277 -0.519 -5.563 1.00 . A A . 2 GLN HE21 1 1 13 3426 1 1 2 GLN HE22 H -8.173 -0.570 -7.038 1.00 . A A . 2 GLN HE22 1 1 13 3427 1 1 2 GLN HG2 H -8.331 -0.476 -3.524 1.00 . A A . 2 GLN HG2 1 1 13 3428 1 1 2 GLN HG3 H -10.062 -0.152 -3.450 1.00 . A A . 2 GLN HG3 1 1 13 3429 1 1 2 GLN N N -10.394 2.233 -1.631 1.00 . A A . 2 GLN N 1 1 13 3430 1 1 2 GLN NE2 N -8.113 -0.425 -6.070 1.00 . A A . 2 GLN NE2 1 1 13 3431 1 1 2 GLN O O -8.294 4.247 -1.843 1.00 . A A . 2 GLN O 1 1 13 3432 1 1 2 GLN OE1 O -10.317 0.040 -5.998 1.00 . A A . 2 GLN OE1 1 1 13 3433 1 1 3 ILE C C -4.517 2.683 -0.235 1.00 . A A . 3 ILE C 1 1 13 3434 1 1 3 ILE CA C -5.860 3.458 -0.218 1.00 . A A . 3 ILE CA 1 1 13 3435 1 1 3 ILE CB C -6.180 4.105 1.233 1.00 . A A . 3 ILE CB 1 1 13 3436 1 1 3 ILE CD1 C -6.141 2.845 3.536 1.00 . A A . 3 ILE CD1 1 1 13 3437 1 1 3 ILE CG1 C -6.914 3.134 2.261 1.00 . A A . 3 ILE CG1 1 1 13 3438 1 1 3 ILE CG2 C -6.989 5.400 1.046 1.00 . A A . 3 ILE CG2 1 1 13 3439 1 1 3 ILE H H -6.871 1.625 -0.636 1.00 . A A . 3 ILE H 1 1 13 3440 1 1 3 ILE HA H -5.737 4.280 -0.916 1.00 . A A . 3 ILE HA 1 1 13 3441 1 1 3 ILE HB H -5.226 4.399 1.652 1.00 . A A . 3 ILE HB 1 1 13 3442 1 1 3 ILE HD11 H -5.603 3.729 3.839 1.00 . A A . 3 ILE HD11 1 1 13 3443 1 1 3 ILE HD12 H -6.835 2.559 4.314 1.00 . A A . 3 ILE HD12 1 1 13 3444 1 1 3 ILE HD13 H -5.445 2.039 3.360 1.00 . A A . 3 ILE HD13 1 1 13 3445 1 1 3 ILE HG21 H -6.524 6.006 0.282 1.00 . A A . 3 ILE HG21 1 1 13 3446 1 1 3 ILE HG22 H -7.997 5.155 0.748 1.00 . A A . 3 ILE HG22 1 1 13 3447 1 1 3 ILE HG23 H -7.010 5.948 1.977 1.00 . A A . 3 ILE HG23 1 1 13 3448 1 1 3 ILE N N -6.945 2.590 -0.809 1.00 . A A . 3 ILE N 1 1 13 3449 1 1 3 ILE O O -4.439 1.557 0.346 1.00 . A A . 3 ILE O 1 1 13 3450 1 1 4 PHE C C -1.058 3.446 -0.320 1.00 . A A . 4 PHE C 1 1 13 3451 1 1 4 PHE CA C -2.137 2.759 -1.197 1.00 . A A . 4 PHE CA 1 1 13 3452 1 1 4 PHE CB C -1.787 2.897 -2.719 1.00 . A A . 4 PHE CB 1 1 13 3453 1 1 4 PHE CD1 C -3.414 1.395 -4.259 1.00 . A A . 4 PHE CD1 1 1 13 3454 1 1 4 PHE CD2 C -0.891 0.706 -3.939 1.00 . A A . 4 PHE CD2 1 1 13 3455 1 1 4 PHE CE1 C -3.622 0.203 -5.167 1.00 . A A . 4 PHE CE1 1 1 13 3456 1 1 4 PHE CE2 C -1.104 -0.481 -4.856 1.00 . A A . 4 PHE CE2 1 1 13 3457 1 1 4 PHE CG C -2.036 1.668 -3.617 1.00 . A A . 4 PHE CG 1 1 13 3458 1 1 4 PHE CZ C -2.469 -0.734 -5.467 1.00 . A A . 4 PHE CZ 1 1 13 3459 1 1 4 PHE H H -3.720 4.158 -1.405 1.00 . A A . 4 PHE H 1 1 13 3460 1 1 4 PHE HA H -2.159 1.710 -0.947 1.00 . A A . 4 PHE HA 1 1 13 3461 1 1 4 PHE HB2 H -2.370 3.707 -3.127 1.00 . A A . 4 PHE HB2 1 1 13 3462 1 1 4 PHE HB3 H -0.740 3.153 -2.802 1.00 . A A . 4 PHE HB3 1 1 13 3463 1 1 4 PHE HD1 H -4.242 2.050 -4.043 1.00 . A A . 4 PHE HD1 1 1 13 3464 1 1 4 PHE HD2 H 0.080 0.875 -3.500 1.00 . A A . 4 PHE HD2 1 1 13 3465 1 1 4 PHE HE1 H -4.594 0.020 -5.597 1.00 . A A . 4 PHE HE1 1 1 13 3466 1 1 4 PHE HE2 H -0.285 -1.149 -5.071 1.00 . A A . 4 PHE HE2 1 1 13 3467 1 1 4 PHE HZ H -2.618 -1.581 -6.121 1.00 . A A . 4 PHE HZ 1 1 13 3468 1 1 4 PHE N N -3.509 3.302 -0.967 1.00 . A A . 4 PHE N 1 1 13 3469 1 1 4 PHE O O -1.143 4.688 -0.072 1.00 . A A . 4 PHE O 1 1 13 3470 1 1 5 VAL C C 2.430 2.273 0.483 1.00 . A A . 5 VAL C 1 1 13 3471 1 1 5 VAL CA C 1.135 2.983 0.978 1.00 . A A . 5 VAL CA 1 1 13 3472 1 1 5 VAL CB C 0.938 2.802 2.571 1.00 . A A . 5 VAL CB 1 1 13 3473 1 1 5 VAL CG1 C 0.144 3.969 3.145 1.00 . A A . 5 VAL CG1 1 1 13 3474 1 1 5 VAL CG2 C 0.288 1.461 3.045 1.00 . A A . 5 VAL CG2 1 1 13 3475 1 1 5 VAL H H -0.099 1.647 -0.150 1.00 . A A . 5 VAL H 1 1 13 3476 1 1 5 VAL HA H 1.284 4.044 0.794 1.00 . A A . 5 VAL HA 1 1 13 3477 1 1 5 VAL HB H 1.926 2.854 3.014 1.00 . A A . 5 VAL HB 1 1 13 3478 1 1 5 VAL HG11 H 0.501 4.893 2.716 1.00 . A A . 5 VAL HG11 1 1 13 3479 1 1 5 VAL HG12 H -0.903 3.843 2.908 1.00 . A A . 5 VAL HG12 1 1 13 3480 1 1 5 VAL HG13 H 0.269 3.997 4.217 1.00 . A A . 5 VAL HG13 1 1 13 3481 1 1 5 VAL HG21 H -0.684 1.352 2.589 1.00 . A A . 5 VAL HG21 1 1 13 3482 1 1 5 VAL HG22 H 0.918 0.633 2.753 1.00 . A A . 5 VAL HG22 1 1 13 3483 1 1 5 VAL HG23 H 0.181 1.474 4.120 1.00 . A A . 5 VAL HG23 1 1 13 3484 1 1 5 VAL N N -0.050 2.591 0.121 1.00 . A A . 5 VAL N 1 1 13 3485 1 1 5 VAL O O 2.401 1.023 0.265 1.00 . A A . 5 VAL O 1 1 13 3486 1 1 6 LYS C C 6.018 3.063 0.806 1.00 . A A . 6 LYS C 1 1 13 3487 1 1 6 LYS CA C 4.876 2.680 -0.185 1.00 . A A . 6 LYS CA 1 1 13 3488 1 1 6 LYS CB C 5.137 3.279 -1.593 1.00 . A A . 6 LYS CB 1 1 13 3489 1 1 6 LYS CD C 5.753 2.863 -4.032 1.00 . A A . 6 LYS CD 1 1 13 3490 1 1 6 LYS CE C 6.919 2.341 -4.868 1.00 . A A . 6 LYS CE 1 1 13 3491 1 1 6 LYS CG C 5.776 2.309 -2.600 1.00 . A A . 6 LYS CG 1 1 13 3492 1 1 6 LYS H H 3.411 4.069 0.492 1.00 . A A . 6 LYS H 1 1 13 3493 1 1 6 LYS HA H 4.851 1.601 -0.264 1.00 . A A . 6 LYS HA 1 1 13 3494 1 1 6 LYS HB2 H 4.196 3.613 -2.004 1.00 . A A . 6 LYS HB2 1 1 13 3495 1 1 6 LYS HB3 H 5.792 4.131 -1.487 1.00 . A A . 6 LYS HB3 1 1 13 3496 1 1 6 LYS HD2 H 4.830 2.562 -4.504 1.00 . A A . 6 LYS HD2 1 1 13 3497 1 1 6 LYS HD3 H 5.805 3.944 -4.002 1.00 . A A . 6 LYS HD3 1 1 13 3498 1 1 6 LYS HE2 H 7.831 2.801 -4.515 1.00 . A A . 6 LYS HE2 1 1 13 3499 1 1 6 LYS HE3 H 6.985 1.270 -4.742 1.00 . A A . 6 LYS HE3 1 1 13 3500 1 1 6 LYS HG2 H 6.798 2.131 -2.300 1.00 . A A . 6 LYS HG2 1 1 13 3501 1 1 6 LYS HG3 H 5.228 1.377 -2.577 1.00 . A A . 6 LYS HG3 1 1 13 3502 1 1 6 LYS HZ1 H 5.822 2.313 -6.645 1.00 . A A . 6 LYS HZ1 1 1 13 3503 1 1 6 LYS HZ2 H 6.808 3.677 -6.469 1.00 . A A . 6 LYS HZ2 1 1 13 3504 1 1 6 LYS HZ3 H 7.493 2.183 -6.869 1.00 . A A . 6 LYS HZ3 1 1 13 3505 1 1 6 LYS N N 3.528 3.112 0.300 1.00 . A A . 6 LYS N 1 1 13 3506 1 1 6 LYS NZ N 6.748 2.651 -6.314 1.00 . A A . 6 LYS NZ 1 1 13 3507 1 1 6 LYS O O 5.966 4.161 1.437 1.00 . A A . 6 LYS O 1 1 13 3508 1 1 7 THR C C 9.568 2.207 0.865 1.00 . A A . 7 THR C 1 1 13 3509 1 1 7 THR CA C 8.280 2.216 1.744 1.00 . A A . 7 THR CA 1 1 13 3510 1 1 7 THR CB C 8.392 1.073 2.819 1.00 . A A . 7 THR CB 1 1 13 3511 1 1 7 THR CG2 C 7.492 1.319 4.034 1.00 . A A . 7 THR CG2 1 1 13 3512 1 1 7 THR H H 6.956 1.308 0.333 1.00 . A A . 7 THR H 1 1 13 3513 1 1 7 THR HA H 8.236 3.162 2.267 1.00 . A A . 7 THR HA 1 1 13 3514 1 1 7 THR HB H 9.414 1.049 3.164 1.00 . A A . 7 THR HB 1 1 13 3515 1 1 7 THR HG1 H 8.792 -0.818 2.444 1.00 . A A . 7 THR HG1 1 1 13 3516 1 1 7 THR HG21 H 6.561 1.757 3.709 1.00 . A A . 7 THR HG21 1 1 13 3517 1 1 7 THR HG22 H 7.296 0.377 4.529 1.00 . A A . 7 THR HG22 1 1 13 3518 1 1 7 THR HG23 H 7.988 1.991 4.719 1.00 . A A . 7 THR HG23 1 1 13 3519 1 1 7 THR N N 7.038 2.116 0.888 1.00 . A A . 7 THR N 1 1 13 3520 1 1 7 THR O O 9.591 1.519 -0.201 1.00 . A A . 7 THR O 1 1 13 3521 1 1 7 THR OG1 O 8.084 -0.200 2.250 1.00 . A A . 7 THR OG1 1 1 13 3522 1 1 8 LEU C C 12.823 1.804 0.526 1.00 . A A . 8 LEU C 1 1 13 3523 1 1 8 LEU CA C 12.004 3.149 0.689 1.00 . A A . 8 LEU CA 1 1 13 3524 1 1 8 LEU CB C 12.833 4.212 1.478 1.00 . A A . 8 LEU CB 1 1 13 3525 1 1 8 LEU CD1 C 12.961 6.683 0.757 1.00 . A A . 8 LEU CD1 1 1 13 3526 1 1 8 LEU CD2 C 15.066 5.339 0.904 1.00 . A A . 8 LEU CD2 1 1 13 3527 1 1 8 LEU CG C 13.569 5.283 0.597 1.00 . A A . 8 LEU CG 1 1 13 3528 1 1 8 LEU H H 10.486 3.464 2.195 1.00 . A A . 8 LEU H 1 1 13 3529 1 1 8 LEU HA H 11.819 3.536 -0.302 1.00 . A A . 8 LEU HA 1 1 13 3530 1 1 8 LEU HB2 H 12.157 4.714 2.160 1.00 . A A . 8 LEU HB2 1 1 13 3531 1 1 8 LEU HB3 H 13.564 3.678 2.069 1.00 . A A . 8 LEU HB3 1 1 13 3532 1 1 8 LEU HD11 H 12.963 6.960 1.801 1.00 . A A . 8 LEU HD11 1 1 13 3533 1 1 8 LEU HD12 H 13.545 7.396 0.195 1.00 . A A . 8 LEU HD12 1 1 13 3534 1 1 8 LEU HD13 H 11.946 6.678 0.388 1.00 . A A . 8 LEU HD13 1 1 13 3535 1 1 8 LEU HD21 H 15.465 4.335 0.932 1.00 . A A . 8 LEU HD21 1 1 13 3536 1 1 8 LEU HD22 H 15.570 5.905 0.136 1.00 . A A . 8 LEU HD22 1 1 13 3537 1 1 8 LEU HD23 H 15.221 5.812 1.862 1.00 . A A . 8 LEU HD23 1 1 13 3538 1 1 8 LEU HG H 13.462 5.008 -0.444 1.00 . A A . 8 LEU HG 1 1 13 3539 1 1 8 LEU N N 10.635 2.982 1.348 1.00 . A A . 8 LEU N 1 1 13 3540 1 1 8 LEU O O 13.752 1.754 -0.341 1.00 . A A . 8 LEU O 1 1 13 3541 1 1 9 ASP C C 12.647 -1.506 0.106 1.00 . A A . 9 ASP C 1 1 13 3542 1 1 9 ASP CA C 13.036 -0.655 1.353 1.00 . A A . 9 ASP CA 1 1 13 3543 1 1 9 ASP CB C 12.664 -1.405 2.658 1.00 . A A . 9 ASP CB 1 1 13 3544 1 1 9 ASP CG C 13.559 -1.041 3.837 1.00 . A A . 9 ASP CG 1 1 13 3545 1 1 9 ASP H H 11.669 0.890 1.949 1.00 . A A . 9 ASP H 1 1 13 3546 1 1 9 ASP HA H 14.109 -0.521 1.337 1.00 . A A . 9 ASP HA 1 1 13 3547 1 1 9 ASP HB2 H 11.645 -1.166 2.923 1.00 . A A . 9 ASP HB2 1 1 13 3548 1 1 9 ASP HB3 H 12.743 -2.469 2.486 1.00 . A A . 9 ASP HB3 1 1 13 3549 1 1 9 ASP N N 12.426 0.732 1.342 1.00 . A A . 9 ASP N 1 1 13 3550 1 1 9 ASP O O 13.541 -2.236 -0.404 1.00 . A A . 9 ASP O 1 1 13 3551 1 1 9 ASP OD1 O 13.219 -0.088 4.575 1.00 . A A . 9 ASP OD1 1 1 13 3552 1 1 9 ASP OD2 O 14.595 -1.719 4.033 1.00 . A A . 9 ASP OD2 1 1 13 3553 1 1 10 GLY C C 9.548 -2.941 -1.225 1.00 . A A . 10 GLY C 1 1 13 3554 1 1 10 GLY CA C 10.766 -2.079 -1.545 1.00 . A A . 10 GLY CA 1 1 13 3555 1 1 10 GLY H H 10.735 -0.755 0.126 1.00 . A A . 10 GLY H 1 1 13 3556 1 1 10 GLY HA2 H 11.537 -2.709 -1.965 1.00 . A A . 10 GLY HA2 1 1 13 3557 1 1 10 GLY HA3 H 10.482 -1.344 -2.283 1.00 . A A . 10 GLY HA3 1 1 13 3558 1 1 10 GLY N N 11.327 -1.371 -0.360 1.00 . A A . 10 GLY N 1 1 13 3559 1 1 10 GLY O O 9.621 -4.177 -1.455 1.00 . A A . 10 GLY O 1 1 13 3560 1 1 11 LYS C C 5.915 -2.018 -0.809 1.00 . A A . 11 LYS C 1 1 13 3561 1 1 11 LYS CA C 7.118 -2.883 -0.329 1.00 . A A . 11 LYS CA 1 1 13 3562 1 1 11 LYS CB C 7.022 -3.104 1.204 1.00 . A A . 11 LYS CB 1 1 13 3563 1 1 11 LYS CD C 7.596 -4.468 3.226 1.00 . A A . 11 LYS CD 1 1 13 3564 1 1 11 LYS CE C 8.416 -5.628 3.786 1.00 . A A . 11 LYS CE 1 1 13 3565 1 1 11 LYS CG C 7.612 -4.412 1.700 1.00 . A A . 11 LYS CG 1 1 13 3566 1 1 11 LYS H H 8.519 -1.288 -0.588 1.00 . A A . 11 LYS H 1 1 13 3567 1 1 11 LYS HA H 7.063 -3.843 -0.823 1.00 . A A . 11 LYS HA 1 1 13 3568 1 1 11 LYS HB2 H 7.539 -2.299 1.701 1.00 . A A . 11 LYS HB2 1 1 13 3569 1 1 11 LYS HB3 H 5.981 -3.075 1.490 1.00 . A A . 11 LYS HB3 1 1 13 3570 1 1 11 LYS HD2 H 8.003 -3.545 3.611 1.00 . A A . 11 LYS HD2 1 1 13 3571 1 1 11 LYS HD3 H 6.573 -4.572 3.558 1.00 . A A . 11 LYS HD3 1 1 13 3572 1 1 11 LYS HE2 H 9.236 -5.846 3.116 1.00 . A A . 11 LYS HE2 1 1 13 3573 1 1 11 LYS HE3 H 8.812 -5.330 4.745 1.00 . A A . 11 LYS HE3 1 1 13 3574 1 1 11 LYS HG2 H 7.028 -5.233 1.311 1.00 . A A . 11 LYS HG2 1 1 13 3575 1 1 11 LYS HG3 H 8.631 -4.492 1.355 1.00 . A A . 11 LYS HG3 1 1 13 3576 1 1 11 LYS HZ1 H 6.714 -6.632 4.473 1.00 . A A . 11 LYS HZ1 1 1 13 3577 1 1 11 LYS HZ2 H 7.352 -7.267 3.041 1.00 . A A . 11 LYS HZ2 1 1 13 3578 1 1 11 LYS HZ3 H 8.125 -7.566 4.515 1.00 . A A . 11 LYS HZ3 1 1 13 3579 1 1 11 LYS N N 8.441 -2.261 -0.709 1.00 . A A . 11 LYS N 1 1 13 3580 1 1 11 LYS NZ N 7.595 -6.860 3.966 1.00 . A A . 11 LYS NZ 1 1 13 3581 1 1 11 LYS O O 5.999 -0.747 -0.769 1.00 . A A . 11 LYS O 1 1 13 3582 1 1 12 THR C C 2.311 -2.962 -1.161 1.00 . A A . 12 THR C 1 1 13 3583 1 1 12 THR CA C 3.509 -2.159 -1.735 1.00 . A A . 12 THR CA 1 1 13 3584 1 1 12 THR CB C 3.409 -2.051 -3.307 1.00 . A A . 12 THR CB 1 1 13 3585 1 1 12 THR CG2 C 4.163 -0.833 -3.847 1.00 . A A . 12 THR CG2 1 1 13 3586 1 1 12 THR H H 4.862 -3.727 -1.215 1.00 . A A . 12 THR H 1 1 13 3587 1 1 12 THR HA H 3.450 -1.156 -1.331 1.00 . A A . 12 THR HA 1 1 13 3588 1 1 12 THR HB H 2.365 -1.936 -3.561 1.00 . A A . 12 THR HB 1 1 13 3589 1 1 12 THR HG1 H 3.186 -3.672 -4.415 1.00 . A A . 12 THR HG1 1 1 13 3590 1 1 12 THR HG21 H 3.837 0.053 -3.323 1.00 . A A . 12 THR HG21 1 1 13 3591 1 1 12 THR HG22 H 5.223 -0.971 -3.696 1.00 . A A . 12 THR HG22 1 1 13 3592 1 1 12 THR HG23 H 3.960 -0.722 -4.902 1.00 . A A . 12 THR HG23 1 1 13 3593 1 1 12 THR N N 4.806 -2.746 -1.243 1.00 . A A . 12 THR N 1 1 13 3594 1 1 12 THR O O 2.284 -4.232 -1.276 1.00 . A A . 12 THR O 1 1 13 3595 1 1 12 THR OG1 O 3.902 -3.242 -3.941 1.00 . A A . 12 THR OG1 1 1 13 3596 1 1 13 ILE C C -1.088 -1.717 0.089 1.00 . A A . 13 ILE C 1 1 13 3597 1 1 13 ILE CA C 0.103 -2.714 0.177 1.00 . A A . 13 ILE CA 1 1 13 3598 1 1 13 ILE CB C 0.319 -3.189 1.712 1.00 . A A . 13 ILE CB 1 1 13 3599 1 1 13 ILE CD1 C 2.499 -1.587 2.533 1.00 . A A . 13 ILE CD1 1 1 13 3600 1 1 13 ILE CG1 C 1.043 -2.150 2.763 1.00 . A A . 13 ILE CG1 1 1 13 3601 1 1 13 ILE CG2 C 0.926 -4.616 1.756 1.00 . A A . 13 ILE CG2 1 1 13 3602 1 1 13 ILE H H 1.502 -1.216 -0.449 1.00 . A A . 13 ILE H 1 1 13 3603 1 1 13 ILE HA H -0.187 -3.589 -0.383 1.00 . A A . 13 ILE HA 1 1 13 3604 1 1 13 ILE HB H -0.694 -3.330 2.081 1.00 . A A . 13 ILE HB 1 1 13 3605 1 1 13 ILE HD11 H 3.151 -2.393 2.225 1.00 . A A . 13 ILE HD11 1 1 13 3606 1 1 13 ILE HD12 H 2.477 -0.830 1.764 1.00 . A A . 13 ILE HD12 1 1 13 3607 1 1 13 ILE HD13 H 2.867 -1.156 3.452 1.00 . A A . 13 ILE HD13 1 1 13 3608 1 1 13 ILE HG12 H 0.411 -1.285 2.834 1.00 . A A . 13 ILE HG12 1 1 13 3609 1 1 13 ILE HG13 H 1.043 -2.631 3.733 1.00 . A A . 13 ILE HG13 1 1 13 3610 1 1 13 ILE HG21 H 0.505 -5.212 0.959 1.00 . A A . 13 ILE HG21 1 1 13 3611 1 1 13 ILE HG22 H 1.997 -4.557 1.632 1.00 . A A . 13 ILE HG22 1 1 13 3612 1 1 13 ILE HG23 H 0.700 -5.075 2.707 1.00 . A A . 13 ILE HG23 1 1 13 3613 1 1 13 ILE N N 1.351 -2.186 -0.499 1.00 . A A . 13 ILE N 1 1 13 3614 1 1 13 ILE O O -0.872 -0.484 0.267 1.00 . A A . 13 ILE O 1 1 13 3615 1 1 14 THR C C -4.776 -2.259 0.568 1.00 . A A . 14 THR C 1 1 13 3616 1 1 14 THR CA C -3.642 -1.574 -0.287 1.00 . A A . 14 THR CA 1 1 13 3617 1 1 14 THR CB C -4.081 -1.280 -1.817 1.00 . A A . 14 THR CB 1 1 13 3618 1 1 14 THR CG2 C -4.231 -2.517 -2.756 1.00 . A A . 14 THR CG2 1 1 13 3619 1 1 14 THR H H -2.354 -3.282 -0.274 1.00 . A A . 14 THR H 1 1 13 3620 1 1 14 THR HA H -3.469 -0.606 0.172 1.00 . A A . 14 THR HA 1 1 13 3621 1 1 14 THR HB H -3.315 -0.646 -2.243 1.00 . A A . 14 THR HB 1 1 13 3622 1 1 14 THR HG1 H -6.008 -1.023 -1.439 1.00 . A A . 14 THR HG1 1 1 13 3623 1 1 14 THR HG21 H -3.877 -3.402 -2.251 1.00 . A A . 14 THR HG21 1 1 13 3624 1 1 14 THR HG22 H -5.272 -2.642 -3.020 1.00 . A A . 14 THR HG22 1 1 13 3625 1 1 14 THR HG23 H -3.648 -2.354 -3.653 1.00 . A A . 14 THR HG23 1 1 13 3626 1 1 14 THR N N -2.325 -2.305 -0.168 1.00 . A A . 14 THR N 1 1 13 3627 1 1 14 THR O O -4.769 -3.516 0.715 1.00 . A A . 14 THR O 1 1 13 3628 1 1 14 THR OG1 O -5.307 -0.526 -1.869 1.00 . A A . 14 THR OG1 1 1 13 3629 1 1 15 LEU C C -8.219 -1.632 1.056 1.00 . A A . 15 LEU C 1 1 13 3630 1 1 15 LEU CA C -6.915 -1.760 1.891 1.00 . A A . 15 LEU CA 1 1 13 3631 1 1 15 LEU CB C -6.975 -0.920 3.194 1.00 . A A . 15 LEU CB 1 1 13 3632 1 1 15 LEU CD1 C -6.217 -1.680 5.524 1.00 . A A . 15 LEU CD1 1 1 13 3633 1 1 15 LEU CD2 C -8.641 -1.211 5.124 1.00 . A A . 15 LEU CD2 1 1 13 3634 1 1 15 LEU CG C -7.343 -1.719 4.492 1.00 . A A . 15 LEU CG 1 1 13 3635 1 1 15 LEU H H -5.624 -0.421 0.859 1.00 . A A . 15 LEU H 1 1 13 3636 1 1 15 LEU HA H -6.791 -2.801 2.155 1.00 . A A . 15 LEU HA 1 1 13 3637 1 1 15 LEU HB2 H -6.006 -0.451 3.323 1.00 . A A . 15 LEU HB2 1 1 13 3638 1 1 15 LEU HB3 H -7.705 -0.136 3.043 1.00 . A A . 15 LEU HB3 1 1 13 3639 1 1 15 LEU HD11 H -5.276 -1.888 5.039 1.00 . A A . 15 LEU HD11 1 1 13 3640 1 1 15 LEU HD12 H -6.179 -0.699 5.977 1.00 . A A . 15 LEU HD12 1 1 13 3641 1 1 15 LEU HD13 H -6.403 -2.421 6.287 1.00 . A A . 15 LEU HD13 1 1 13 3642 1 1 15 LEU HD21 H -8.556 -0.152 5.317 1.00 . A A . 15 LEU HD21 1 1 13 3643 1 1 15 LEU HD22 H -9.465 -1.388 4.448 1.00 . A A . 15 LEU HD22 1 1 13 3644 1 1 15 LEU HD23 H -8.818 -1.733 6.052 1.00 . A A . 15 LEU HD23 1 1 13 3645 1 1 15 LEU HG H -7.497 -2.758 4.230 1.00 . A A . 15 LEU HG 1 1 13 3646 1 1 15 LEU N N -5.727 -1.377 1.073 1.00 . A A . 15 LEU N 1 1 13 3647 1 1 15 LEU O O -8.435 -0.578 0.369 1.00 . A A . 15 LEU O 1 1 13 3648 1 1 16 GLU C C -11.475 -3.480 1.310 1.00 . A A . 16 GLU C 1 1 13 3649 1 1 16 GLU CA C -10.364 -2.908 0.386 1.00 . A A . 16 GLU CA 1 1 13 3650 1 1 16 GLU CB C -10.192 -3.799 -0.874 1.00 . A A . 16 GLU CB 1 1 13 3651 1 1 16 GLU CD C -10.059 -3.764 -3.430 1.00 . A A . 16 GLU CD 1 1 13 3652 1 1 16 GLU CG C -9.751 -3.032 -2.128 1.00 . A A . 16 GLU CG 1 1 13 3653 1 1 16 GLU H H -8.763 -3.514 1.661 1.00 . A A . 16 GLU H 1 1 13 3654 1 1 16 GLU HA H -10.671 -1.920 0.072 1.00 . A A . 16 GLU HA 1 1 13 3655 1 1 16 GLU HB2 H -9.451 -4.555 -0.664 1.00 . A A . 16 GLU HB2 1 1 13 3656 1 1 16 GLU HB3 H -11.134 -4.282 -1.087 1.00 . A A . 16 GLU HB3 1 1 13 3657 1 1 16 GLU HG2 H -10.257 -2.079 -2.145 1.00 . A A . 16 GLU HG2 1 1 13 3658 1 1 16 GLU HG3 H -8.682 -2.862 -2.073 1.00 . A A . 16 GLU HG3 1 1 13 3659 1 1 16 GLU N N -9.054 -2.751 1.113 1.00 . A A . 16 GLU N 1 1 13 3660 1 1 16 GLU O O -11.182 -4.372 2.169 1.00 . A A . 16 GLU O 1 1 13 3661 1 1 16 GLU OE1 O -9.195 -4.538 -3.902 1.00 . A A . 16 GLU OE1 1 1 13 3662 1 1 16 GLU OE2 O -11.160 -3.550 -3.990 1.00 . A A . 16 GLU OE2 1 1 13 3663 1 1 17 VAL C C -15.038 -4.015 0.951 1.00 . A A . 17 VAL C 1 1 13 3664 1 1 17 VAL CA C -13.999 -3.310 1.865 1.00 . A A . 17 VAL CA 1 1 13 3665 1 1 17 VAL CB C -14.687 -2.113 2.700 1.00 . A A . 17 VAL CB 1 1 13 3666 1 1 17 VAL CG1 C -13.950 -1.887 4.017 1.00 . A A . 17 VAL CG1 1 1 13 3667 1 1 17 VAL CG2 C -14.842 -0.743 1.962 1.00 . A A . 17 VAL CG2 1 1 13 3668 1 1 17 VAL H H -12.836 -2.246 0.406 1.00 . A A . 17 VAL H 1 1 13 3669 1 1 17 VAL HA H -13.684 -4.054 2.588 1.00 . A A . 17 VAL HA 1 1 13 3670 1 1 17 VAL HB H -15.682 -2.453 2.960 1.00 . A A . 17 VAL HB 1 1 13 3671 1 1 17 VAL HG11 H -13.957 -2.799 4.595 1.00 . A A . 17 VAL HG11 1 1 13 3672 1 1 17 VAL HG12 H -12.931 -1.596 3.813 1.00 . A A . 17 VAL HG12 1 1 13 3673 1 1 17 VAL HG13 H -14.443 -1.104 4.575 1.00 . A A . 17 VAL HG13 1 1 13 3674 1 1 17 VAL HG21 H -15.282 -0.906 0.989 1.00 . A A . 17 VAL HG21 1 1 13 3675 1 1 17 VAL HG22 H -15.480 -0.092 2.541 1.00 . A A . 17 VAL HG22 1 1 13 3676 1 1 17 VAL HG23 H -13.870 -0.285 1.848 1.00 . A A . 17 VAL HG23 1 1 13 3677 1 1 17 VAL N N -12.741 -2.934 1.103 1.00 . A A . 17 VAL N 1 1 13 3678 1 1 17 VAL O O -15.602 -5.039 1.392 1.00 . A A . 17 VAL O 1 1 13 3679 1 1 17 VAL OXT O -15.274 -3.538 -0.187 1.00 . A A . 17 VAL OXT 1 1 14 3680 1 1 1 MET C C -11.728 1.145 -1.313 1.00 . A A . 1 MET C 1 1 14 3681 1 1 1 MET CA C -13.169 1.683 -1.084 1.00 . A A . 1 MET CA 1 1 14 3682 1 1 1 MET CB C -13.275 2.405 0.287 1.00 . A A . 1 MET CB 1 1 14 3683 1 1 1 MET CE C -13.697 5.143 2.693 1.00 . A A . 1 MET CE 1 1 14 3684 1 1 1 MET CG C -13.210 3.940 0.232 1.00 . A A . 1 MET CG 1 1 14 3685 1 1 1 MET H1 H -14.139 0.088 -2.029 1.00 . A A . 1 MET H1 1 1 14 3686 1 1 1 MET H2 H -14.027 -0.078 -0.348 1.00 . A A . 1 MET H2 1 1 14 3687 1 1 1 MET H3 H -15.145 0.999 -1.020 1.00 . A A . 1 MET H3 1 1 14 3688 1 1 1 MET HA H -13.402 2.386 -1.870 1.00 . A A . 1 MET HA 1 1 14 3689 1 1 1 MET HB2 H -14.209 2.132 0.749 1.00 . A A . 1 MET HB2 1 1 14 3690 1 1 1 MET HB3 H -12.465 2.064 0.920 1.00 . A A . 1 MET HB3 1 1 14 3691 1 1 1 MET HE1 H -12.986 4.362 2.929 1.00 . A A . 1 MET HE1 1 1 14 3692 1 1 1 MET HE2 H -13.176 6.082 2.575 1.00 . A A . 1 MET HE2 1 1 14 3693 1 1 1 MET HE3 H -14.418 5.227 3.493 1.00 . A A . 1 MET HE3 1 1 14 3694 1 1 1 MET HG2 H -12.265 4.259 0.648 1.00 . A A . 1 MET HG2 1 1 14 3695 1 1 1 MET HG3 H -13.273 4.264 -0.798 1.00 . A A . 1 MET HG3 1 1 14 3696 1 1 1 MET N N -14.192 0.597 -1.123 1.00 . A A . 1 MET N 1 1 14 3697 1 1 1 MET O O -11.388 0.016 -0.831 1.00 . A A . 1 MET O 1 1 14 3698 1 1 1 MET SD S -14.541 4.728 1.166 1.00 . A A . 1 MET SD 1 1 14 3699 1 1 2 GLN C C -8.602 2.966 -1.966 1.00 . A A . 2 GLN C 1 1 14 3700 1 1 2 GLN CA C -9.476 1.752 -2.382 1.00 . A A . 2 GLN CA 1 1 14 3701 1 1 2 GLN CB C -9.295 1.405 -3.885 1.00 . A A . 2 GLN CB 1 1 14 3702 1 1 2 GLN CD C -9.659 -0.382 -5.678 1.00 . A A . 2 GLN CD 1 1 14 3703 1 1 2 GLN CG C -9.383 -0.088 -4.202 1.00 . A A . 2 GLN CG 1 1 14 3704 1 1 2 GLN H H -11.286 2.857 -2.347 1.00 . A A . 2 GLN H 1 1 14 3705 1 1 2 GLN HA H -9.160 0.904 -1.788 1.00 . A A . 2 GLN HA 1 1 14 3706 1 1 2 GLN HB2 H -10.054 1.916 -4.455 1.00 . A A . 2 GLN HB2 1 1 14 3707 1 1 2 GLN HB3 H -8.323 1.756 -4.201 1.00 . A A . 2 GLN HB3 1 1 14 3708 1 1 2 GLN HE21 H -7.695 -0.494 -6.098 1.00 . A A . 2 GLN HE21 1 1 14 3709 1 1 2 GLN HE22 H -8.768 -0.747 -7.428 1.00 . A A . 2 GLN HE22 1 1 14 3710 1 1 2 GLN HG2 H -8.443 -0.552 -3.932 1.00 . A A . 2 GLN HG2 1 1 14 3711 1 1 2 GLN HG3 H -10.177 -0.520 -3.610 1.00 . A A . 2 GLN HG3 1 1 14 3712 1 1 2 GLN N N -10.904 2.004 -2.043 1.00 . A A . 2 GLN N 1 1 14 3713 1 1 2 GLN NE2 N -8.599 -0.558 -6.482 1.00 . A A . 2 GLN NE2 1 1 14 3714 1 1 2 GLN O O -8.940 4.148 -2.305 1.00 . A A . 2 GLN O 1 1 14 3715 1 1 2 GLN OE1 O -10.817 -0.464 -6.099 1.00 . A A . 2 GLN OE1 1 1 14 3716 1 1 3 ILE C C -5.081 2.881 -0.605 1.00 . A A . 3 ILE C 1 1 14 3717 1 1 3 ILE CA C -6.464 3.586 -0.644 1.00 . A A . 3 ILE CA 1 1 14 3718 1 1 3 ILE CB C -6.837 4.295 0.764 1.00 . A A . 3 ILE CB 1 1 14 3719 1 1 3 ILE CD1 C -6.749 3.177 3.137 1.00 . A A . 3 ILE CD1 1 1 14 3720 1 1 3 ILE CG1 C -7.523 3.343 1.840 1.00 . A A . 3 ILE CG1 1 1 14 3721 1 1 3 ILE CG2 C -7.716 5.529 0.495 1.00 . A A . 3 ILE CG2 1 1 14 3722 1 1 3 ILE H H -7.352 1.676 -0.994 1.00 . A A . 3 ILE H 1 1 14 3723 1 1 3 ILE HA H -6.372 4.373 -1.387 1.00 . A A . 3 ILE HA 1 1 14 3724 1 1 3 ILE HB H -5.906 4.668 1.173 1.00 . A A . 3 ILE HB 1 1 14 3725 1 1 3 ILE HD11 H -6.237 4.097 3.371 1.00 . A A . 3 ILE HD11 1 1 14 3726 1 1 3 ILE HD12 H -7.439 2.935 3.933 1.00 . A A . 3 ILE HD12 1 1 14 3727 1 1 3 ILE HD13 H -6.030 2.380 3.027 1.00 . A A . 3 ILE HD13 1 1 14 3728 1 1 3 ILE HG21 H -7.253 6.141 -0.264 1.00 . A A . 3 ILE HG21 1 1 14 3729 1 1 3 ILE HG22 H -8.691 5.209 0.157 1.00 . A A . 3 ILE HG22 1 1 14 3730 1 1 3 ILE HG23 H -7.821 6.101 1.405 1.00 . A A . 3 ILE HG23 1 1 14 3731 1 1 3 ILE N N -7.489 2.628 -1.202 1.00 . A A . 3 ILE N 1 1 14 3732 1 1 3 ILE O O -4.949 1.801 0.042 1.00 . A A . 3 ILE O 1 1 14 3733 1 1 4 PHE C C -1.700 3.570 -0.509 1.00 . A A . 4 PHE C 1 1 14 3734 1 1 4 PHE CA C -2.694 3.015 -1.564 1.00 . A A . 4 PHE CA 1 1 14 3735 1 1 4 PHE CB C -2.226 3.384 -3.013 1.00 . A A . 4 PHE CB 1 1 14 3736 1 1 4 PHE CD1 C -3.660 2.031 -4.853 1.00 . A A . 4 PHE CD1 1 1 14 3737 1 1 4 PHE CD2 C -1.104 1.501 -4.506 1.00 . A A . 4 PHE CD2 1 1 14 3738 1 1 4 PHE CE1 C -3.726 0.999 -5.958 1.00 . A A . 4 PHE CE1 1 1 14 3739 1 1 4 PHE CE2 C -1.176 0.463 -5.608 1.00 . A A . 4 PHE CE2 1 1 14 3740 1 1 4 PHE CG C -2.338 2.301 -4.100 1.00 . A A . 4 PHE CG 1 1 14 3741 1 1 4 PHE CZ C -2.484 0.214 -6.335 1.00 . A A . 4 PHE CZ 1 1 14 3742 1 1 4 PHE H H -4.355 4.321 -1.858 1.00 . A A . 4 PHE H 1 1 14 3743 1 1 4 PHE HA H -2.712 1.940 -1.477 1.00 . A A . 4 PHE HA 1 1 14 3744 1 1 4 PHE HB2 H -2.809 4.223 -3.350 1.00 . A A . 4 PHE HB2 1 1 14 3745 1 1 4 PHE HB3 H -1.190 3.685 -2.964 1.00 . A A . 4 PHE HB3 1 1 14 3746 1 1 4 PHE HD1 H -4.549 2.579 -4.579 1.00 . A A . 4 PHE HD1 1 1 14 3747 1 1 4 PHE HD2 H -0.171 1.674 -3.991 1.00 . A A . 4 PHE HD2 1 1 14 3748 1 1 4 PHE HE1 H -4.660 0.816 -6.466 1.00 . A A . 4 PHE HE1 1 1 14 3749 1 1 4 PHE HE2 H -0.296 -0.099 -5.877 1.00 . A A . 4 PHE HE2 1 1 14 3750 1 1 4 PHE HZ H -2.531 -0.522 -7.124 1.00 . A A . 4 PHE HZ 1 1 14 3751 1 1 4 PHE N N -4.101 3.503 -1.370 1.00 . A A . 4 PHE N 1 1 14 3752 1 1 4 PHE O O -1.839 4.754 -0.075 1.00 . A A . 4 PHE O 1 1 14 3753 1 1 5 VAL C C 1.732 2.245 0.415 1.00 . A A . 5 VAL C 1 1 14 3754 1 1 5 VAL CA C 0.409 2.939 0.864 1.00 . A A . 5 VAL CA 1 1 14 3755 1 1 5 VAL CB C 0.066 2.598 2.405 1.00 . A A . 5 VAL CB 1 1 14 3756 1 1 5 VAL CG1 C -0.758 3.720 3.027 1.00 . A A . 5 VAL CG1 1 1 14 3757 1 1 5 VAL CG2 C -0.647 1.234 2.676 1.00 . A A . 5 VAL CG2 1 1 14 3758 1 1 5 VAL H H -0.705 1.782 -0.553 1.00 . A A . 5 VAL H 1 1 14 3759 1 1 5 VAL HA H 0.595 4.008 0.808 1.00 . A A . 5 VAL HA 1 1 14 3760 1 1 5 VAL HB H 1.011 2.579 2.937 1.00 . A A . 5 VAL HB 1 1 14 3761 1 1 5 VAL HG11 H -0.294 4.670 2.809 1.00 . A A . 5 VAL HG11 1 1 14 3762 1 1 5 VAL HG12 H -1.757 3.704 2.615 1.00 . A A . 5 VAL HG12 1 1 14 3763 1 1 5 VAL HG13 H -0.807 3.580 4.096 1.00 . A A . 5 VAL HG13 1 1 14 3764 1 1 5 VAL HG21 H -0.165 0.456 2.102 1.00 . A A . 5 VAL HG21 1 1 14 3765 1 1 5 VAL HG22 H -0.583 0.996 3.728 1.00 . A A . 5 VAL HG22 1 1 14 3766 1 1 5 VAL HG23 H -1.685 1.307 2.387 1.00 . A A . 5 VAL HG23 1 1 14 3767 1 1 5 VAL N N -0.702 2.672 -0.133 1.00 . A A . 5 VAL N 1 1 14 3768 1 1 5 VAL O O 1.696 1.029 0.055 1.00 . A A . 5 VAL O 1 1 14 3769 1 1 6 LYS C C 5.266 2.756 1.211 1.00 . A A . 6 LYS C 1 1 14 3770 1 1 6 LYS CA C 4.244 2.638 0.039 1.00 . A A . 6 LYS CA 1 1 14 3771 1 1 6 LYS CB C 4.705 3.464 -1.191 1.00 . A A . 6 LYS CB 1 1 14 3772 1 1 6 LYS CD C 5.559 3.431 -3.595 1.00 . A A . 6 LYS CD 1 1 14 3773 1 1 6 LYS CE C 6.809 3.040 -4.377 1.00 . A A . 6 LYS CE 1 1 14 3774 1 1 6 LYS CG C 5.433 2.655 -2.277 1.00 . A A . 6 LYS CG 1 1 14 3775 1 1 6 LYS H H 2.750 3.992 0.727 1.00 . A A . 6 LYS H 1 1 14 3776 1 1 6 LYS HA H 4.183 1.596 -0.246 1.00 . A A . 6 LYS HA 1 1 14 3777 1 1 6 LYS HB2 H 3.838 3.922 -1.642 1.00 . A A . 6 LYS HB2 1 1 14 3778 1 1 6 LYS HB3 H 5.371 4.245 -0.850 1.00 . A A . 6 LYS HB3 1 1 14 3779 1 1 6 LYS HD2 H 4.693 3.218 -4.205 1.00 . A A . 6 LYS HD2 1 1 14 3780 1 1 6 LYS HD3 H 5.598 4.493 -3.388 1.00 . A A . 6 LYS HD3 1 1 14 3781 1 1 6 LYS HE2 H 7.671 3.479 -3.895 1.00 . A A . 6 LYS HE2 1 1 14 3782 1 1 6 LYS HE3 H 6.902 1.963 -4.366 1.00 . A A . 6 LYS HE3 1 1 14 3783 1 1 6 LYS HG2 H 6.419 2.406 -1.911 1.00 . A A . 6 LYS HG2 1 1 14 3784 1 1 6 LYS HG3 H 4.878 1.745 -2.458 1.00 . A A . 6 LYS HG3 1 1 14 3785 1 1 6 LYS HZ1 H 5.863 3.204 -6.232 1.00 . A A . 6 LYS HZ1 1 1 14 3786 1 1 6 LYS HZ2 H 6.805 4.548 -5.823 1.00 . A A . 6 LYS HZ2 1 1 14 3787 1 1 6 LYS HZ3 H 7.549 3.114 -6.329 1.00 . A A . 6 LYS HZ3 1 1 14 3788 1 1 6 LYS N N 2.862 3.060 0.437 1.00 . A A . 6 LYS N 1 1 14 3789 1 1 6 LYS NZ N 6.753 3.509 -5.789 1.00 . A A . 6 LYS NZ 1 1 14 3790 1 1 6 LYS O O 5.173 3.713 2.037 1.00 . A A . 6 LYS O 1 1 14 3791 1 1 7 THR C C 8.745 1.866 1.552 1.00 . A A . 7 THR C 1 1 14 3792 1 1 7 THR CA C 7.360 1.611 2.220 1.00 . A A . 7 THR CA 1 1 14 3793 1 1 7 THR CB C 7.382 0.208 2.933 1.00 . A A . 7 THR CB 1 1 14 3794 1 1 7 THR CG2 C 6.376 0.129 4.084 1.00 . A A . 7 THR CG2 1 1 14 3795 1 1 7 THR H H 6.196 1.074 0.513 1.00 . A A . 7 THR H 1 1 14 3796 1 1 7 THR HA H 7.213 2.368 2.979 1.00 . A A . 7 THR HA 1 1 14 3797 1 1 7 THR HB H 8.369 0.062 3.344 1.00 . A A . 7 THR HB 1 1 14 3798 1 1 7 THR HG1 H 7.929 -1.352 1.861 1.00 . A A . 7 THR HG1 1 1 14 3799 1 1 7 THR HG21 H 5.475 0.659 3.813 1.00 . A A . 7 THR HG21 1 1 14 3800 1 1 7 THR HG22 H 6.138 -0.906 4.282 1.00 . A A . 7 THR HG22 1 1 14 3801 1 1 7 THR HG23 H 6.806 0.575 4.969 1.00 . A A . 7 THR HG23 1 1 14 3802 1 1 7 THR N N 6.235 1.754 1.223 1.00 . A A . 7 THR N 1 1 14 3803 1 1 7 THR O O 8.941 1.496 0.355 1.00 . A A . 7 THR O 1 1 14 3804 1 1 7 THR OG1 O 7.124 -0.849 2.005 1.00 . A A . 7 THR OG1 1 1 14 3805 1 1 8 LEU C C 12.066 1.651 1.701 1.00 . A A . 8 LEU C 1 1 14 3806 1 1 8 LEU CA C 11.111 2.886 1.967 1.00 . A A . 8 LEU CA 1 1 14 3807 1 1 8 LEU CB C 11.711 3.842 3.049 1.00 . A A . 8 LEU CB 1 1 14 3808 1 1 8 LEU CD1 C 11.694 6.407 2.782 1.00 . A A . 8 LEU CD1 1 1 14 3809 1 1 8 LEU CD2 C 13.879 5.214 3.048 1.00 . A A . 8 LEU CD2 1 1 14 3810 1 1 8 LEU CG C 12.457 5.107 2.493 1.00 . A A . 8 LEU CG 1 1 14 3811 1 1 8 LEU H H 9.404 2.743 3.280 1.00 . A A . 8 LEU H 1 1 14 3812 1 1 8 LEU HA H 11.032 3.437 1.042 1.00 . A A . 8 LEU HA 1 1 14 3813 1 1 8 LEU HB2 H 10.898 4.161 3.691 1.00 . A A . 8 LEU HB2 1 1 14 3814 1 1 8 LEU HB3 H 12.399 3.261 3.649 1.00 . A A . 8 LEU HB3 1 1 14 3815 1 1 8 LEU HD11 H 11.498 6.481 3.842 1.00 . A A . 8 LEU HD11 1 1 14 3816 1 1 8 LEU HD12 H 12.287 7.251 2.465 1.00 . A A . 8 LEU HD12 1 1 14 3817 1 1 8 LEU HD13 H 10.758 6.401 2.242 1.00 . A A . 8 LEU HD13 1 1 14 3818 1 1 8 LEU HD21 H 14.375 4.260 2.955 1.00 . A A . 8 LEU HD21 1 1 14 3819 1 1 8 LEU HD22 H 14.426 5.961 2.491 1.00 . A A . 8 LEU HD22 1 1 14 3820 1 1 8 LEU HD23 H 13.839 5.500 4.089 1.00 . A A . 8 LEU HD23 1 1 14 3821 1 1 8 LEU HG H 12.537 5.017 1.418 1.00 . A A . 8 LEU HG 1 1 14 3822 1 1 8 LEU N N 9.688 2.509 2.365 1.00 . A A . 8 LEU N 1 1 14 3823 1 1 8 LEU O O 13.138 1.836 1.039 1.00 . A A . 8 LEU O 1 1 14 3824 1 1 9 ASP C C 12.367 -1.460 0.574 1.00 . A A . 9 ASP C 1 1 14 3825 1 1 9 ASP CA C 12.359 -0.920 2.040 1.00 . A A . 9 ASP CA 1 1 14 3826 1 1 9 ASP CB C 11.759 -1.981 2.999 1.00 . A A . 9 ASP CB 1 1 14 3827 1 1 9 ASP CG C 12.275 -1.860 4.429 1.00 . A A . 9 ASP CG 1 1 14 3828 1 1 9 ASP H H 10.767 0.390 2.655 1.00 . A A . 9 ASP H 1 1 14 3829 1 1 9 ASP HA H 13.385 -0.745 2.332 1.00 . A A . 9 ASP HA 1 1 14 3830 1 1 9 ASP HB2 H 10.685 -1.871 3.018 1.00 . A A . 9 ASP HB2 1 1 14 3831 1 1 9 ASP HB3 H 12.006 -2.966 2.629 1.00 . A A . 9 ASP HB3 1 1 14 3832 1 1 9 ASP N N 11.631 0.407 2.190 1.00 . A A . 9 ASP N 1 1 14 3833 1 1 9 ASP O O 13.414 -2.036 0.165 1.00 . A A . 9 ASP O 1 1 14 3834 1 1 9 ASP OD1 O 13.300 -2.503 4.750 1.00 . A A . 9 ASP OD1 1 1 14 3835 1 1 9 ASP OD2 O 11.644 -1.136 5.232 1.00 . A A . 9 ASP OD2 1 1 14 3836 1 1 10 GLY C C 9.936 -2.716 -1.794 1.00 . A A . 10 GLY C 1 1 14 3837 1 1 10 GLY CA C 11.008 -1.644 -1.597 1.00 . A A . 10 GLY CA 1 1 14 3838 1 1 10 GLY H H 10.465 -0.754 0.264 1.00 . A A . 10 GLY H 1 1 14 3839 1 1 10 GLY HA2 H 11.948 -2.019 -1.978 1.00 . A A . 10 GLY HA2 1 1 14 3840 1 1 10 GLY HA3 H 10.729 -0.774 -2.171 1.00 . A A . 10 GLY HA3 1 1 14 3841 1 1 10 GLY N N 11.203 -1.234 -0.177 1.00 . A A . 10 GLY N 1 1 14 3842 1 1 10 GLY O O 10.235 -3.729 -2.476 1.00 . A A . 10 GLY O 1 1 14 3843 1 1 11 LYS C C 6.162 -2.523 -1.344 1.00 . A A . 11 LYS C 1 1 14 3844 1 1 11 LYS CA C 7.474 -3.360 -1.262 1.00 . A A . 11 LYS CA 1 1 14 3845 1 1 11 LYS CB C 7.408 -4.463 -0.105 1.00 . A A . 11 LYS CB 1 1 14 3846 1 1 11 LYS CD C 8.327 -5.095 2.218 1.00 . A A . 11 LYS CD 1 1 14 3847 1 1 11 LYS CE C 8.147 -4.854 3.710 1.00 . A A . 11 LYS CE 1 1 14 3848 1 1 11 LYS CG C 7.641 -4.018 1.379 1.00 . A A . 11 LYS CG 1 1 14 3849 1 1 11 LYS H H 8.597 -1.620 -0.698 1.00 . A A . 11 LYS H 1 1 14 3850 1 1 11 LYS HA H 7.557 -3.887 -2.206 1.00 . A A . 11 LYS HA 1 1 14 3851 1 1 11 LYS HB2 H 6.432 -4.916 -0.143 1.00 . A A . 11 LYS HB2 1 1 14 3852 1 1 11 LYS HB3 H 8.139 -5.224 -0.346 1.00 . A A . 11 LYS HB3 1 1 14 3853 1 1 11 LYS HD2 H 7.907 -6.055 1.966 1.00 . A A . 11 LYS HD2 1 1 14 3854 1 1 11 LYS HD3 H 9.383 -5.090 1.988 1.00 . A A . 11 LYS HD3 1 1 14 3855 1 1 11 LYS HE2 H 8.710 -3.976 3.991 1.00 . A A . 11 LYS HE2 1 1 14 3856 1 1 11 LYS HE3 H 7.099 -4.687 3.910 1.00 . A A . 11 LYS HE3 1 1 14 3857 1 1 11 LYS HG2 H 8.259 -3.133 1.383 1.00 . A A . 11 LYS HG2 1 1 14 3858 1 1 11 LYS HG3 H 6.680 -3.784 1.820 1.00 . A A . 11 LYS HG3 1 1 14 3859 1 1 11 LYS HZ1 H 9.626 -6.191 4.335 1.00 . A A . 11 LYS HZ1 1 1 14 3860 1 1 11 LYS HZ2 H 8.493 -5.812 5.534 1.00 . A A . 11 LYS HZ2 1 1 14 3861 1 1 11 LYS HZ3 H 8.075 -6.863 4.276 1.00 . A A . 11 LYS HZ3 1 1 14 3862 1 1 11 LYS N N 8.697 -2.461 -1.197 1.00 . A A . 11 LYS N 1 1 14 3863 1 1 11 LYS NZ N 8.618 -6.011 4.521 1.00 . A A . 11 LYS NZ 1 1 14 3864 1 1 11 LYS O O 6.013 -1.540 -0.560 1.00 . A A . 11 LYS O 1 1 14 3865 1 1 12 THR C C 2.744 -3.271 -2.250 1.00 . A A . 12 THR C 1 1 14 3866 1 1 12 THR CA C 3.911 -2.300 -2.576 1.00 . A A . 12 THR CA 1 1 14 3867 1 1 12 THR CB C 3.761 -1.745 -4.043 1.00 . A A . 12 THR CB 1 1 14 3868 1 1 12 THR CG2 C 4.460 -0.393 -4.220 1.00 . A A . 12 THR CG2 1 1 14 3869 1 1 12 THR H H 5.484 -3.725 -2.854 1.00 . A A . 12 THR H 1 1 14 3870 1 1 12 THR HA H 3.830 -1.458 -1.898 1.00 . A A . 12 THR HA 1 1 14 3871 1 1 12 THR HB H 2.708 -1.602 -4.233 1.00 . A A . 12 THR HB 1 1 14 3872 1 1 12 THR HG1 H 3.549 -3.197 -5.366 1.00 . A A . 12 THR HG1 1 1 14 3873 1 1 12 THR HG21 H 5.430 -0.424 -3.746 1.00 . A A . 12 THR HG21 1 1 14 3874 1 1 12 THR HG22 H 4.581 -0.186 -5.273 1.00 . A A . 12 THR HG22 1 1 14 3875 1 1 12 THR HG23 H 3.862 0.383 -3.767 1.00 . A A . 12 THR HG23 1 1 14 3876 1 1 12 THR N N 5.247 -2.946 -2.304 1.00 . A A . 12 THR N 1 1 14 3877 1 1 12 THR O O 2.787 -4.474 -2.663 1.00 . A A . 12 THR O 1 1 14 3878 1 1 12 THR OG1 O 4.272 -2.680 -5.007 1.00 . A A . 12 THR OG1 1 1 14 3879 1 1 13 ILE C C -0.731 -2.434 -0.837 1.00 . A A . 13 ILE C 1 1 14 3880 1 1 13 ILE CA C 0.463 -3.424 -0.997 1.00 . A A . 13 ILE CA 1 1 14 3881 1 1 13 ILE CB C 0.626 -4.312 0.344 1.00 . A A . 13 ILE CB 1 1 14 3882 1 1 13 ILE CD1 C 0.638 -3.462 2.829 1.00 . A A . 13 ILE CD1 1 1 14 3883 1 1 13 ILE CG1 C 1.434 -3.623 1.540 1.00 . A A . 13 ILE CG1 1 1 14 3884 1 1 13 ILE CG2 C 1.246 -5.673 -0.009 1.00 . A A . 13 ILE CG2 1 1 14 3885 1 1 13 ILE H H 1.817 -1.770 -1.209 1.00 . A A . 13 ILE H 1 1 14 3886 1 1 13 ILE HA H 0.189 -4.102 -1.797 1.00 . A A . 13 ILE HA 1 1 14 3887 1 1 13 ILE HB H -0.380 -4.522 0.686 1.00 . A A . 13 ILE HB 1 1 14 3888 1 1 13 ILE HD11 H 0.228 -4.420 3.112 1.00 . A A . 13 ILE HD11 1 1 14 3889 1 1 13 ILE HD12 H 1.289 -3.102 3.612 1.00 . A A . 13 ILE HD12 1 1 14 3890 1 1 13 ILE HD13 H -0.164 -2.757 2.672 1.00 . A A . 13 ILE HD13 1 1 14 3891 1 1 13 ILE HG12 H 2.317 -4.202 1.775 1.00 . A A . 13 ILE HG12 1 1 14 3892 1 1 13 ILE HG13 H 1.743 -2.636 1.222 1.00 . A A . 13 ILE HG13 1 1 14 3893 1 1 13 ILE HG21 H 2.198 -5.520 -0.495 1.00 . A A . 13 ILE HG21 1 1 14 3894 1 1 13 ILE HG22 H 1.390 -6.242 0.899 1.00 . A A . 13 ILE HG22 1 1 14 3895 1 1 13 ILE HG23 H 0.584 -6.210 -0.672 1.00 . A A . 13 ILE HG23 1 1 14 3896 1 1 13 ILE N N 1.721 -2.711 -1.477 1.00 . A A . 13 ILE N 1 1 14 3897 1 1 13 ILE O O -0.521 -1.302 -0.310 1.00 . A A . 13 ILE O 1 1 14 3898 1 1 14 THR C C -3.982 -2.328 0.124 1.00 . A A . 14 THR C 1 1 14 3899 1 1 14 THR CA C -3.262 -2.150 -1.241 1.00 . A A . 14 THR CA 1 1 14 3900 1 1 14 THR CB C -4.277 -2.540 -2.386 1.00 . A A . 14 THR CB 1 1 14 3901 1 1 14 THR CG2 C -3.936 -1.925 -3.731 1.00 . A A . 14 THR CG2 1 1 14 3902 1 1 14 THR H H -1.989 -3.815 -1.676 1.00 . A A . 14 THR H 1 1 14 3903 1 1 14 THR HA H -3.023 -1.101 -1.357 1.00 . A A . 14 THR HA 1 1 14 3904 1 1 14 THR HB H -5.247 -2.152 -2.098 1.00 . A A . 14 THR HB 1 1 14 3905 1 1 14 THR HG1 H -5.041 -4.301 -1.919 1.00 . A A . 14 THR HG1 1 1 14 3906 1 1 14 THR HG21 H -2.880 -1.703 -3.782 1.00 . A A . 14 THR HG21 1 1 14 3907 1 1 14 THR HG22 H -4.198 -2.618 -4.515 1.00 . A A . 14 THR HG22 1 1 14 3908 1 1 14 THR HG23 H -4.507 -1.015 -3.856 1.00 . A A . 14 THR HG23 1 1 14 3909 1 1 14 THR N N -1.960 -2.910 -1.294 1.00 . A A . 14 THR N 1 1 14 3910 1 1 14 THR O O -3.980 -3.470 0.694 1.00 . A A . 14 THR O 1 1 14 3911 1 1 14 THR OG1 O -4.377 -3.965 -2.527 1.00 . A A . 14 THR OG1 1 1 14 3912 1 1 15 LEU C C -6.911 -0.892 1.419 1.00 . A A . 15 LEU C 1 1 14 3913 1 1 15 LEU CA C -5.424 -1.096 1.837 1.00 . A A . 15 LEU CA 1 1 14 3914 1 1 15 LEU CB C -4.866 0.000 2.802 1.00 . A A . 15 LEU CB 1 1 14 3915 1 1 15 LEU CD1 C -3.267 -0.300 4.787 1.00 . A A . 15 LEU CD1 1 1 14 3916 1 1 15 LEU CD2 C -5.645 0.335 5.229 1.00 . A A . 15 LEU CD2 1 1 14 3917 1 1 15 LEU CG C -4.708 -0.444 4.299 1.00 . A A . 15 LEU CG 1 1 14 3918 1 1 15 LEU H H -4.573 -0.373 0.042 1.00 . A A . 15 LEU H 1 1 14 3919 1 1 15 LEU HA H -5.351 -2.063 2.322 1.00 . A A . 15 LEU HA 1 1 14 3920 1 1 15 LEU HB2 H -3.901 0.311 2.416 1.00 . A A . 15 LEU HB2 1 1 14 3921 1 1 15 LEU HB3 H -5.531 0.850 2.753 1.00 . A A . 15 LEU HB3 1 1 14 3922 1 1 15 LEU HD11 H -2.605 -0.817 4.108 1.00 . A A . 15 LEU HD11 1 1 14 3923 1 1 15 LEU HD12 H -3.002 0.746 4.823 1.00 . A A . 15 LEU HD12 1 1 14 3924 1 1 15 LEU HD13 H -3.178 -0.728 5.774 1.00 . A A . 15 LEU HD13 1 1 14 3925 1 1 15 LEU HD21 H -6.658 0.265 4.860 1.00 . A A . 15 LEU HD21 1 1 14 3926 1 1 15 LEU HD22 H -5.594 -0.083 6.223 1.00 . A A . 15 LEU HD22 1 1 14 3927 1 1 15 LEU HD23 H -5.344 1.371 5.259 1.00 . A A . 15 LEU HD23 1 1 14 3928 1 1 15 LEU HG H -4.969 -1.491 4.380 1.00 . A A . 15 LEU HG 1 1 14 3929 1 1 15 LEU N N -4.623 -1.182 0.594 1.00 . A A . 15 LEU N 1 1 14 3930 1 1 15 LEU O O -7.294 0.201 0.870 1.00 . A A . 15 LEU O 1 1 14 3931 1 1 16 GLU C C -10.039 -2.599 2.429 1.00 . A A . 16 GLU C 1 1 14 3932 1 1 16 GLU CA C -9.155 -2.132 1.238 1.00 . A A . 16 GLU CA 1 1 14 3933 1 1 16 GLU CB C -9.307 -3.092 0.031 1.00 . A A . 16 GLU CB 1 1 14 3934 1 1 16 GLU CD C -9.933 -3.164 -2.451 1.00 . A A . 16 GLU CD 1 1 14 3935 1 1 16 GLU CG C -9.208 -2.407 -1.340 1.00 . A A . 16 GLU CG 1 1 14 3936 1 1 16 GLU H H -7.288 -2.825 1.985 1.00 . A A . 16 GLU H 1 1 14 3937 1 1 16 GLU HA H -9.482 -1.147 0.938 1.00 . A A . 16 GLU HA 1 1 14 3938 1 1 16 GLU HB2 H -8.527 -3.839 0.084 1.00 . A A . 16 GLU HB2 1 1 14 3939 1 1 16 GLU HB3 H -10.265 -3.584 0.095 1.00 . A A . 16 GLU HB3 1 1 14 3940 1 1 16 GLU HG2 H -9.638 -1.419 -1.265 1.00 . A A . 16 GLU HG2 1 1 14 3941 1 1 16 GLU HG3 H -8.163 -2.319 -1.610 1.00 . A A . 16 GLU HG3 1 1 14 3942 1 1 16 GLU N N -7.710 -2.019 1.612 1.00 . A A . 16 GLU N 1 1 14 3943 1 1 16 GLU O O -9.584 -3.455 3.251 1.00 . A A . 16 GLU O 1 1 14 3944 1 1 16 GLU OE1 O -11.136 -2.890 -2.675 1.00 . A A . 16 GLU OE1 1 1 14 3945 1 1 16 GLU OE2 O -9.295 -4.017 -3.109 1.00 . A A . 16 GLU OE2 1 1 14 3946 1 1 17 VAL C C -13.785 -2.312 2.926 1.00 . A A . 17 VAL C 1 1 14 3947 1 1 17 VAL CA C -12.358 -2.279 3.537 1.00 . A A . 17 VAL CA 1 1 14 3948 1 1 17 VAL CB C -12.311 -1.320 4.834 1.00 . A A . 17 VAL CB 1 1 14 3949 1 1 17 VAL CG1 C -11.224 -1.781 5.800 1.00 . A A . 17 VAL CG1 1 1 14 3950 1 1 17 VAL CG2 C -12.139 0.211 4.567 1.00 . A A . 17 VAL CG2 1 1 14 3951 1 1 17 VAL H H -11.532 -1.355 1.785 1.00 . A A . 17 VAL H 1 1 14 3952 1 1 17 VAL HA H -12.161 -3.287 3.886 1.00 . A A . 17 VAL HA 1 1 14 3953 1 1 17 VAL HB H -13.254 -1.453 5.349 1.00 . A A . 17 VAL HB 1 1 14 3954 1 1 17 VAL HG11 H -11.372 -2.823 6.039 1.00 . A A . 17 VAL HG11 1 1 14 3955 1 1 17 VAL HG12 H -10.256 -1.650 5.340 1.00 . A A . 17 VAL HG12 1 1 14 3956 1 1 17 VAL HG13 H -11.274 -1.193 6.705 1.00 . A A . 17 VAL HG13 1 1 14 3957 1 1 17 VAL HG21 H -11.223 0.380 4.021 1.00 . A A . 17 VAL HG21 1 1 14 3958 1 1 17 VAL HG22 H -12.975 0.572 3.988 1.00 . A A . 17 VAL HG22 1 1 14 3959 1 1 17 VAL HG23 H -12.101 0.738 5.509 1.00 . A A . 17 VAL HG23 1 1 14 3960 1 1 17 VAL N N -11.300 -2.006 2.484 1.00 . A A . 17 VAL N 1 1 14 3961 1 1 17 VAL O O -14.121 -1.419 2.110 1.00 . A A . 17 VAL O 1 1 14 3962 1 1 17 VAL OXT O -14.547 -3.237 3.277 1.00 . A A . 17 VAL OXT 1 1 15 3963 1 1 1 MET C C -11.560 1.910 -1.814 1.00 . A A . 1 MET C 1 1 15 3964 1 1 1 MET CA C -12.841 2.799 -1.867 1.00 . A A . 1 MET CA 1 1 15 3965 1 1 1 MET CB C -13.029 3.653 -0.537 1.00 . A A . 1 MET CB 1 1 15 3966 1 1 1 MET CE C -15.651 4.311 1.955 1.00 . A A . 1 MET CE 1 1 15 3967 1 1 1 MET CG C -13.532 2.955 0.769 1.00 . A A . 1 MET CG 1 1 15 3968 1 1 1 MET H1 H -14.221 1.245 -1.531 1.00 . A A . 1 MET H1 1 1 15 3969 1 1 1 MET H2 H -14.914 2.639 -2.196 1.00 . A A . 1 MET H2 1 1 15 3970 1 1 1 MET H3 H -13.991 1.605 -3.166 1.00 . A A . 1 MET H3 1 1 15 3971 1 1 1 MET HA H -12.693 3.497 -2.679 1.00 . A A . 1 MET HA 1 1 15 3972 1 1 1 MET HB2 H -12.076 4.099 -0.300 1.00 . A A . 1 MET HB2 1 1 15 3973 1 1 1 MET HB3 H -13.720 4.457 -0.761 1.00 . A A . 1 MET HB3 1 1 15 3974 1 1 1 MET HE1 H -15.086 5.162 1.602 1.00 . A A . 1 MET HE1 1 1 15 3975 1 1 1 MET HE2 H -16.705 4.545 1.940 1.00 . A A . 1 MET HE2 1 1 15 3976 1 1 1 MET HE3 H -15.350 4.072 2.965 1.00 . A A . 1 MET HE3 1 1 15 3977 1 1 1 MET HG2 H -13.159 1.944 0.784 1.00 . A A . 1 MET HG2 1 1 15 3978 1 1 1 MET HG3 H -13.141 3.494 1.620 1.00 . A A . 1 MET HG3 1 1 15 3979 1 1 1 MET N N -14.081 2.015 -2.215 1.00 . A A . 1 MET N 1 1 15 3980 1 1 1 MET O O -11.642 0.739 -1.343 1.00 . A A . 1 MET O 1 1 15 3981 1 1 1 MET SD S -15.334 2.907 0.887 1.00 . A A . 1 MET SD 1 1 15 3982 1 1 2 GLN C C -8.015 2.912 -1.699 1.00 . A A . 2 GLN C 1 1 15 3983 1 1 2 GLN CA C -9.039 1.927 -2.315 1.00 . A A . 2 GLN CA 1 1 15 3984 1 1 2 GLN CB C -8.635 1.511 -3.758 1.00 . A A . 2 GLN CB 1 1 15 3985 1 1 2 GLN CD C -9.193 -0.154 -5.620 1.00 . A A . 2 GLN CD 1 1 15 3986 1 1 2 GLN CG C -8.982 0.065 -4.119 1.00 . A A . 2 GLN CG 1 1 15 3987 1 1 2 GLN H H -10.472 3.460 -2.591 1.00 . A A . 2 GLN H 1 1 15 3988 1 1 2 GLN HA H -9.066 1.044 -1.689 1.00 . A A . 2 GLN HA 1 1 15 3989 1 1 2 GLN HB2 H -9.135 2.161 -4.459 1.00 . A A . 2 GLN HB2 1 1 15 3990 1 1 2 GLN HB3 H -7.566 1.636 -3.867 1.00 . A A . 2 GLN HB3 1 1 15 3991 1 1 2 GLN HE21 H -7.259 -0.624 -5.900 1.00 . A A . 2 GLN HE21 1 1 15 3992 1 1 2 GLN HE22 H -8.255 -0.654 -7.311 1.00 . A A . 2 GLN HE22 1 1 15 3993 1 1 2 GLN HG2 H -8.174 -0.575 -3.793 1.00 . A A . 2 GLN HG2 1 1 15 3994 1 1 2 GLN HG3 H -9.889 -0.215 -3.601 1.00 . A A . 2 GLN HG3 1 1 15 3995 1 1 2 GLN N N -10.401 2.531 -2.280 1.00 . A A . 2 GLN N 1 1 15 3996 1 1 2 GLN NE2 N -8.125 -0.514 -6.350 1.00 . A A . 2 GLN NE2 1 1 15 3997 1 1 2 GLN O O -8.001 4.138 -2.073 1.00 . A A . 2 GLN O 1 1 15 3998 1 1 2 GLN OE1 O -10.311 -0.012 -6.125 1.00 . A A . 2 GLN OE1 1 1 15 3999 1 1 3 ILE C C -4.762 2.333 -0.119 1.00 . A A . 3 ILE C 1 1 15 4000 1 1 3 ILE CA C -6.145 3.079 0.029 1.00 . A A . 3 ILE CA 1 1 15 4001 1 1 3 ILE CB C -6.674 3.431 1.531 1.00 . A A . 3 ILE CB 1 1 15 4002 1 1 3 ILE CD1 C -6.797 5.906 2.362 1.00 . A A . 3 ILE CD1 1 1 15 4003 1 1 3 ILE CG1 C -5.922 4.674 2.138 1.00 . A A . 3 ILE CG1 1 1 15 4004 1 1 3 ILE CG2 C -6.750 2.239 2.548 1.00 . A A . 3 ILE CG2 1 1 15 4005 1 1 3 ILE H H -7.316 1.399 -0.511 1.00 . A A . 3 ILE H 1 1 15 4006 1 1 3 ILE HA H -6.029 4.028 -0.487 1.00 . A A . 3 ILE HA 1 1 15 4007 1 1 3 ILE HB H -7.706 3.724 1.388 1.00 . A A . 3 ILE HB 1 1 15 4008 1 1 3 ILE HD11 H -7.821 5.598 2.519 1.00 . A A . 3 ILE HD11 1 1 15 4009 1 1 3 ILE HD12 H -6.445 6.445 3.230 1.00 . A A . 3 ILE HD12 1 1 15 4010 1 1 3 ILE HD13 H -6.743 6.548 1.494 1.00 . A A . 3 ILE HD13 1 1 15 4011 1 1 3 ILE HG21 H -5.861 1.632 2.460 1.00 . A A . 3 ILE HG21 1 1 15 4012 1 1 3 ILE HG22 H -6.825 2.628 3.553 1.00 . A A . 3 ILE HG22 1 1 15 4013 1 1 3 ILE HG23 H -7.620 1.637 2.330 1.00 . A A . 3 ILE HG23 1 1 15 4014 1 1 3 ILE N N -7.193 2.351 -0.728 1.00 . A A . 3 ILE N 1 1 15 4015 1 1 3 ILE O O -4.662 1.144 0.290 1.00 . A A . 3 ILE O 1 1 15 4016 1 1 4 PHE C C -1.314 3.233 -0.125 1.00 . A A . 4 PHE C 1 1 15 4017 1 1 4 PHE CA C -2.384 2.592 -1.044 1.00 . A A . 4 PHE CA 1 1 15 4018 1 1 4 PHE CB C -2.057 2.858 -2.553 1.00 . A A . 4 PHE CB 1 1 15 4019 1 1 4 PHE CD1 C -3.586 1.374 -4.199 1.00 . A A . 4 PHE CD1 1 1 15 4020 1 1 4 PHE CD2 C -1.033 0.795 -3.900 1.00 . A A . 4 PHE CD2 1 1 15 4021 1 1 4 PHE CE1 C -3.727 0.236 -5.185 1.00 . A A . 4 PHE CE1 1 1 15 4022 1 1 4 PHE CE2 C -1.183 -0.348 -4.883 1.00 . A A . 4 PHE CE2 1 1 15 4023 1 1 4 PHE CG C -2.230 1.678 -3.530 1.00 . A A . 4 PHE CG 1 1 15 4024 1 1 4 PHE CZ C -2.527 -0.626 -5.526 1.00 . A A . 4 PHE CZ 1 1 15 4025 1 1 4 PHE H H -3.991 3.982 -1.043 1.00 . A A . 4 PHE H 1 1 15 4026 1 1 4 PHE HA H -2.374 1.526 -0.878 1.00 . A A . 4 PHE HA 1 1 15 4027 1 1 4 PHE HB2 H -2.695 3.652 -2.904 1.00 . A A . 4 PHE HB2 1 1 15 4028 1 1 4 PHE HB3 H -1.029 3.188 -2.624 1.00 . A A . 4 PHE HB3 1 1 15 4029 1 1 4 PHE HD1 H -4.448 1.974 -3.952 1.00 . A A . 4 PHE HD1 1 1 15 4030 1 1 4 PHE HD2 H -0.074 0.987 -3.445 1.00 . A A . 4 PHE HD2 1 1 15 4031 1 1 4 PHE HE1 H -4.685 0.034 -5.638 1.00 . A A . 4 PHE HE1 1 1 15 4032 1 1 4 PHE HE2 H -0.331 -0.964 -5.127 1.00 . A A . 4 PHE HE2 1 1 15 4033 1 1 4 PHE HZ H -2.631 -1.439 -6.230 1.00 . A A . 4 PHE HZ 1 1 15 4034 1 1 4 PHE N N -3.767 3.073 -0.746 1.00 . A A . 4 PHE N 1 1 15 4035 1 1 4 PHE O O -1.421 4.451 0.215 1.00 . A A . 4 PHE O 1 1 15 4036 1 1 5 VAL C C 2.218 2.177 0.528 1.00 . A A . 5 VAL C 1 1 15 4037 1 1 5 VAL CA C 0.888 2.715 1.135 1.00 . A A . 5 VAL CA 1 1 15 4038 1 1 5 VAL CB C 0.744 2.296 2.689 1.00 . A A . 5 VAL CB 1 1 15 4039 1 1 5 VAL CG1 C -0.115 3.308 3.436 1.00 . A A . 5 VAL CG1 1 1 15 4040 1 1 5 VAL CG2 C 0.202 0.857 2.976 1.00 . A A . 5 VAL CG2 1 1 15 4041 1 1 5 VAL H H -0.325 1.442 -0.085 1.00 . A A . 5 VAL H 1 1 15 4042 1 1 5 VAL HA H 0.960 3.798 1.104 1.00 . A A . 5 VAL HA 1 1 15 4043 1 1 5 VAL HB H 1.738 2.357 3.119 1.00 . A A . 5 VAL HB 1 1 15 4044 1 1 5 VAL HG11 H 0.298 4.297 3.307 1.00 . A A . 5 VAL HG11 1 1 15 4045 1 1 5 VAL HG12 H -1.122 3.285 3.045 1.00 . A A . 5 VAL HG12 1 1 15 4046 1 1 5 VAL HG13 H -0.133 3.060 4.487 1.00 . A A . 5 VAL HG13 1 1 15 4047 1 1 5 VAL HG21 H -0.771 0.742 2.519 1.00 . A A . 5 VAL HG21 1 1 15 4048 1 1 5 VAL HG22 H 0.881 0.126 2.564 1.00 . A A . 5 VAL HG22 1 1 15 4049 1 1 5 VAL HG23 H 0.120 0.710 4.044 1.00 . A A . 5 VAL HG23 1 1 15 4050 1 1 5 VAL N N -0.290 2.366 0.252 1.00 . A A . 5 VAL N 1 1 15 4051 1 1 5 VAL O O 2.265 0.977 0.119 1.00 . A A . 5 VAL O 1 1 15 4052 1 1 6 LYS C C 5.738 3.021 1.009 1.00 . A A . 6 LYS C 1 1 15 4053 1 1 6 LYS CA C 4.626 2.840 -0.067 1.00 . A A . 6 LYS CA 1 1 15 4054 1 1 6 LYS CB C 4.879 3.750 -1.295 1.00 . A A . 6 LYS CB 1 1 15 4055 1 1 6 LYS CD C 5.230 3.704 -3.834 1.00 . A A . 6 LYS CD 1 1 15 4056 1 1 6 LYS CE C 6.340 3.501 -4.860 1.00 . A A . 6 LYS CE 1 1 15 4057 1 1 6 LYS CG C 5.563 3.048 -2.486 1.00 . A A . 6 LYS CG 1 1 15 4058 1 1 6 LYS H H 3.084 4.007 0.823 1.00 . A A . 6 LYS H 1 1 15 4059 1 1 6 LYS HA H 4.641 1.808 -0.389 1.00 . A A . 6 LYS HA 1 1 15 4060 1 1 6 LYS HB2 H 3.929 4.143 -1.628 1.00 . A A . 6 LYS HB2 1 1 15 4061 1 1 6 LYS HB3 H 5.506 4.575 -0.987 1.00 . A A . 6 LYS HB3 1 1 15 4062 1 1 6 LYS HD2 H 4.322 3.264 -4.217 1.00 . A A . 6 LYS HD2 1 1 15 4063 1 1 6 LYS HD3 H 5.082 4.767 -3.687 1.00 . A A . 6 LYS HD3 1 1 15 4064 1 1 6 LYS HE2 H 7.211 4.056 -4.542 1.00 . A A . 6 LYS HE2 1 1 15 4065 1 1 6 LYS HE3 H 6.581 2.450 -4.906 1.00 . A A . 6 LYS HE3 1 1 15 4066 1 1 6 LYS HG2 H 6.632 3.077 -2.330 1.00 . A A . 6 LYS HG2 1 1 15 4067 1 1 6 LYS HG3 H 5.236 2.017 -2.510 1.00 . A A . 6 LYS HG3 1 1 15 4068 1 1 6 LYS HZ1 H 5.075 3.471 -6.523 1.00 . A A . 6 LYS HZ1 1 1 15 4069 1 1 6 LYS HZ2 H 5.747 4.990 -6.200 1.00 . A A . 6 LYS HZ2 1 1 15 4070 1 1 6 LYS HZ3 H 6.695 3.777 -6.900 1.00 . A A . 6 LYS HZ3 1 1 15 4071 1 1 6 LYS N N 3.258 3.102 0.479 1.00 . A A . 6 LYS N 1 1 15 4072 1 1 6 LYS NZ N 5.936 3.968 -6.215 1.00 . A A . 6 LYS NZ 1 1 15 4073 1 1 6 LYS O O 5.635 3.939 1.878 1.00 . A A . 6 LYS O 1 1 15 4074 1 1 7 THR C C 9.321 2.211 0.963 1.00 . A A . 7 THR C 1 1 15 4075 1 1 7 THR CA C 8.008 2.049 1.786 1.00 . A A . 7 THR CA 1 1 15 4076 1 1 7 THR CB C 8.090 0.719 2.624 1.00 . A A . 7 THR CB 1 1 15 4077 1 1 7 THR CG2 C 7.178 0.748 3.856 1.00 . A A . 7 THR CG2 1 1 15 4078 1 1 7 THR H H 6.746 1.453 0.169 1.00 . A A . 7 THR H 1 1 15 4079 1 1 7 THR HA H 7.943 2.875 2.479 1.00 . A A . 7 THR HA 1 1 15 4080 1 1 7 THR HB H 9.108 0.613 2.967 1.00 . A A . 7 THR HB 1 1 15 4081 1 1 7 THR HG1 H 6.885 -0.324 1.458 1.00 . A A . 7 THR HG1 1 1 15 4082 1 1 7 THR HG21 H 6.273 1.289 3.624 1.00 . A A . 7 THR HG21 1 1 15 4083 1 1 7 THR HG22 H 6.930 -0.265 4.140 1.00 . A A . 7 THR HG22 1 1 15 4084 1 1 7 THR HG23 H 7.690 1.235 4.672 1.00 . A A . 7 THR HG23 1 1 15 4085 1 1 7 THR N N 6.790 2.114 0.896 1.00 . A A . 7 THR N 1 1 15 4086 1 1 7 THR O O 9.388 1.732 -0.210 1.00 . A A . 7 THR O 1 1 15 4087 1 1 7 THR OG1 O 7.770 -0.420 1.818 1.00 . A A . 7 THR OG1 1 1 15 4088 1 1 8 LEU C C 12.636 1.921 0.827 1.00 . A A . 8 LEU C 1 1 15 4089 1 1 8 LEU CA C 11.733 3.198 1.048 1.00 . A A . 8 LEU CA 1 1 15 4090 1 1 8 LEU CB C 12.452 4.244 1.961 1.00 . A A . 8 LEU CB 1 1 15 4091 1 1 8 LEU CD1 C 12.036 6.780 1.718 1.00 . A A . 8 LEU CD1 1 1 15 4092 1 1 8 LEU CD2 C 14.363 5.890 1.478 1.00 . A A . 8 LEU CD2 1 1 15 4093 1 1 8 LEU CG C 12.880 5.583 1.258 1.00 . A A . 8 LEU CG 1 1 15 4094 1 1 8 LEU H H 10.169 3.215 2.532 1.00 . A A . 8 LEU H 1 1 15 4095 1 1 8 LEU HA H 11.572 3.650 0.080 1.00 . A A . 8 LEU HA 1 1 15 4096 1 1 8 LEU HB2 H 11.786 4.473 2.784 1.00 . A A . 8 LEU HB2 1 1 15 4097 1 1 8 LEU HB3 H 13.331 3.765 2.369 1.00 . A A . 8 LEU HB3 1 1 15 4098 1 1 8 LEU HD11 H 12.069 6.852 2.795 1.00 . A A . 8 LEU HD11 1 1 15 4099 1 1 8 LEU HD12 H 12.428 7.688 1.282 1.00 . A A . 8 LEU HD12 1 1 15 4100 1 1 8 LEU HD13 H 11.012 6.642 1.397 1.00 . A A . 8 LEU HD13 1 1 15 4101 1 1 8 LEU HD21 H 14.955 5.043 1.163 1.00 . A A . 8 LEU HD21 1 1 15 4102 1 1 8 LEU HD22 H 14.640 6.759 0.900 1.00 . A A . 8 LEU HD22 1 1 15 4103 1 1 8 LEU HD23 H 14.539 6.083 2.525 1.00 . A A . 8 LEU HD23 1 1 15 4104 1 1 8 LEU HG H 12.727 5.476 0.192 1.00 . A A . 8 LEU HG 1 1 15 4105 1 1 8 LEU N N 10.353 2.898 1.617 1.00 . A A . 8 LEU N 1 1 15 4106 1 1 8 LEU O O 13.608 1.995 0.009 1.00 . A A . 8 LEU O 1 1 15 4107 1 1 9 ASP C C 12.717 -1.339 0.133 1.00 . A A . 9 ASP C 1 1 15 4108 1 1 9 ASP CA C 12.969 -0.581 1.474 1.00 . A A . 9 ASP CA 1 1 15 4109 1 1 9 ASP CB C 12.568 -1.467 2.681 1.00 . A A . 9 ASP CB 1 1 15 4110 1 1 9 ASP CG C 13.439 -1.236 3.911 1.00 . A A . 9 ASP CG 1 1 15 4111 1 1 9 ASP H H 11.478 0.827 2.114 1.00 . A A . 9 ASP H 1 1 15 4112 1 1 9 ASP HA H 14.029 -0.381 1.541 1.00 . A A . 9 ASP HA 1 1 15 4113 1 1 9 ASP HB2 H 11.544 -1.256 2.948 1.00 . A A . 9 ASP HB2 1 1 15 4114 1 1 9 ASP HB3 H 12.650 -2.506 2.396 1.00 . A A . 9 ASP HB3 1 1 15 4115 1 1 9 ASP N N 12.269 0.763 1.538 1.00 . A A . 9 ASP N 1 1 15 4116 1 1 9 ASP O O 13.692 -1.953 -0.380 1.00 . A A . 9 ASP O 1 1 15 4117 1 1 9 ASP OD1 O 14.471 -1.931 4.052 1.00 . A A . 9 ASP OD1 1 1 15 4118 1 1 9 ASP OD2 O 13.082 -0.369 4.742 1.00 . A A . 9 ASP OD2 1 1 15 4119 1 1 10 GLY C C 9.784 -2.816 -1.522 1.00 . A A . 10 GLY C 1 1 15 4120 1 1 10 GLY CA C 10.983 -1.886 -1.678 1.00 . A A . 10 GLY CA 1 1 15 4121 1 1 10 GLY H H 10.755 -0.730 0.101 1.00 . A A . 10 GLY H 1 1 15 4122 1 1 10 GLY HA2 H 11.810 -2.451 -2.083 1.00 . A A . 10 GLY HA2 1 1 15 4123 1 1 10 GLY HA3 H 10.722 -1.107 -2.377 1.00 . A A . 10 GLY HA3 1 1 15 4124 1 1 10 GLY N N 11.420 -1.254 -0.401 1.00 . A A . 10 GLY N 1 1 15 4125 1 1 10 GLY O O 9.896 -3.998 -1.939 1.00 . A A . 10 GLY O 1 1 15 4126 1 1 11 LYS C C 6.118 -2.058 -0.992 1.00 . A A . 11 LYS C 1 1 15 4127 1 1 11 LYS CA C 7.341 -2.967 -0.672 1.00 . A A . 11 LYS CA 1 1 15 4128 1 1 11 LYS CB C 7.247 -3.476 0.797 1.00 . A A . 11 LYS CB 1 1 15 4129 1 1 11 LYS CD C 8.975 -4.740 2.277 1.00 . A A . 11 LYS CD 1 1 15 4130 1 1 11 LYS CE C 8.551 -5.600 3.477 1.00 . A A . 11 LYS CE 1 1 15 4131 1 1 11 LYS CG C 7.981 -4.814 1.081 1.00 . A A . 11 LYS CG 1 1 15 4132 1 1 11 LYS H H 8.697 -1.311 -0.651 1.00 . A A . 11 LYS H 1 1 15 4133 1 1 11 LYS HA H 7.307 -3.819 -1.336 1.00 . A A . 11 LYS HA 1 1 15 4134 1 1 11 LYS HB2 H 7.651 -2.711 1.445 1.00 . A A . 11 LYS HB2 1 1 15 4135 1 1 11 LYS HB3 H 6.202 -3.611 1.041 1.00 . A A . 11 LYS HB3 1 1 15 4136 1 1 11 LYS HD2 H 9.938 -5.086 1.938 1.00 . A A . 11 LYS HD2 1 1 15 4137 1 1 11 LYS HD3 H 9.067 -3.711 2.605 1.00 . A A . 11 LYS HD3 1 1 15 4138 1 1 11 LYS HE2 H 7.473 -5.615 3.532 1.00 . A A . 11 LYS HE2 1 1 15 4139 1 1 11 LYS HE3 H 8.918 -6.604 3.328 1.00 . A A . 11 LYS HE3 1 1 15 4140 1 1 11 LYS HG2 H 7.237 -5.569 1.283 1.00 . A A . 11 LYS HG2 1 1 15 4141 1 1 11 LYS HG3 H 8.534 -5.100 0.196 1.00 . A A . 11 LYS HG3 1 1 15 4142 1 1 11 LYS HZ1 H 8.749 -4.098 4.912 1.00 . A A . 11 LYS HZ1 1 1 15 4143 1 1 11 LYS HZ2 H 8.781 -5.664 5.550 1.00 . A A . 11 LYS HZ2 1 1 15 4144 1 1 11 LYS HZ3 H 10.131 -5.059 4.730 1.00 . A A . 11 LYS HZ3 1 1 15 4145 1 1 11 LYS N N 8.649 -2.254 -0.926 1.00 . A A . 11 LYS N 1 1 15 4146 1 1 11 LYS NZ N 9.091 -5.069 4.757 1.00 . A A . 11 LYS NZ 1 1 15 4147 1 1 11 LYS O O 6.166 -0.817 -0.711 1.00 . A A . 11 LYS O 1 1 15 4148 1 1 12 THR C C 2.545 -3.012 -1.547 1.00 . A A . 12 THR C 1 1 15 4149 1 1 12 THR CA C 3.723 -2.087 -1.957 1.00 . A A . 12 THR CA 1 1 15 4150 1 1 12 THR CB C 3.624 -1.704 -3.485 1.00 . A A . 12 THR CB 1 1 15 4151 1 1 12 THR CG2 C 4.347 -0.390 -3.792 1.00 . A A . 12 THR CG2 1 1 15 4152 1 1 12 THR H H 5.118 -3.687 -1.727 1.00 . A A . 12 THR H 1 1 15 4153 1 1 12 THR HA H 3.635 -1.172 -1.381 1.00 . A A . 12 THR HA 1 1 15 4154 1 1 12 THR HB H 2.579 -1.575 -3.724 1.00 . A A . 12 THR HB 1 1 15 4155 1 1 12 THR HG1 H 3.897 -2.593 -5.229 1.00 . A A . 12 THR HG1 1 1 15 4156 1 1 12 THR HG21 H 4.125 0.333 -3.020 1.00 . A A . 12 THR HG21 1 1 15 4157 1 1 12 THR HG22 H 5.412 -0.564 -3.827 1.00 . A A . 12 THR HG22 1 1 15 4158 1 1 12 THR HG23 H 4.014 -0.010 -4.747 1.00 . A A . 12 THR HG23 1 1 15 4159 1 1 12 THR N N 5.032 -2.720 -1.569 1.00 . A A . 12 THR N 1 1 15 4160 1 1 12 THR O O 2.558 -4.242 -1.884 1.00 . A A . 12 THR O 1 1 15 4161 1 1 12 THR OG1 O 4.153 -2.749 -4.317 1.00 . A A . 12 THR OG1 1 1 15 4162 1 1 13 ILE C C -0.902 -2.100 -0.130 1.00 . A A . 13 ILE C 1 1 15 4163 1 1 13 ILE CA C 0.310 -3.073 -0.218 1.00 . A A . 13 ILE CA 1 1 15 4164 1 1 13 ILE CB C 0.508 -3.839 1.195 1.00 . A A . 13 ILE CB 1 1 15 4165 1 1 13 ILE CD1 C 0.505 -2.857 3.640 1.00 . A A . 13 ILE CD1 1 1 15 4166 1 1 13 ILE CG1 C 1.275 -3.013 2.330 1.00 . A A . 13 ILE CG1 1 1 15 4167 1 1 13 ILE CG2 C 1.192 -5.201 0.957 1.00 . A A . 13 ILE CG2 1 1 15 4168 1 1 13 ILE H H 1.673 -1.444 -0.556 1.00 . A A . 13 ILE H 1 1 15 4169 1 1 13 ILE HA H 0.040 -3.827 -0.950 1.00 . A A . 13 ILE HA 1 1 15 4170 1 1 13 ILE HB H -0.490 -4.065 1.552 1.00 . A A . 13 ILE HB 1 1 15 4171 1 1 13 ILE HD11 H 0.171 -3.830 3.971 1.00 . A A . 13 ILE HD11 1 1 15 4172 1 1 13 ILE HD12 H 1.152 -2.423 4.389 1.00 . A A . 13 ILE HD12 1 1 15 4173 1 1 13 ILE HD13 H -0.349 -2.216 3.484 1.00 . A A . 13 ILE HD13 1 1 15 4174 1 1 13 ILE HG12 H 2.216 -3.488 2.563 1.00 . A A . 13 ILE HG12 1 1 15 4175 1 1 13 ILE HG13 H 1.474 -2.019 1.953 1.00 . A A . 13 ILE HG13 1 1 15 4176 1 1 13 ILE HG21 H 2.154 -5.045 0.491 1.00 . A A . 13 ILE HG21 1 1 15 4177 1 1 13 ILE HG22 H 1.329 -5.699 1.906 1.00 . A A . 13 ILE HG22 1 1 15 4178 1 1 13 ILE HG23 H 0.572 -5.810 0.315 1.00 . A A . 13 ILE HG23 1 1 15 4179 1 1 13 ILE N N 1.554 -2.394 -0.776 1.00 . A A . 13 ILE N 1 1 15 4180 1 1 13 ILE O O -0.710 -0.920 0.284 1.00 . A A . 13 ILE O 1 1 15 4181 1 1 14 THR C C -4.514 -2.695 0.385 1.00 . A A . 14 THR C 1 1 15 4182 1 1 14 THR CA C -3.449 -1.932 -0.483 1.00 . A A . 14 THR CA 1 1 15 4183 1 1 14 THR CB C -3.977 -1.518 -1.949 1.00 . A A . 14 THR CB 1 1 15 4184 1 1 14 THR CG2 C -4.229 -2.673 -2.967 1.00 . A A . 14 THR CG2 1 1 15 4185 1 1 14 THR H H -2.137 -3.591 -0.789 1.00 . A A . 14 THR H 1 1 15 4186 1 1 14 THR HA H -3.251 -1.003 0.042 1.00 . A A . 14 THR HA 1 1 15 4187 1 1 14 THR HB H -3.219 -0.875 -2.379 1.00 . A A . 14 THR HB 1 1 15 4188 1 1 14 THR HG1 H -5.224 -0.128 -2.602 1.00 . A A . 14 THR HG1 1 1 15 4189 1 1 14 THR HG21 H -3.328 -3.257 -3.081 1.00 . A A . 14 THR HG21 1 1 15 4190 1 1 14 THR HG22 H -5.027 -3.306 -2.604 1.00 . A A . 14 THR HG22 1 1 15 4191 1 1 14 THR HG23 H -4.512 -2.249 -3.920 1.00 . A A . 14 THR HG23 1 1 15 4192 1 1 14 THR N N -2.124 -2.651 -0.504 1.00 . A A . 14 THR N 1 1 15 4193 1 1 14 THR O O -4.505 -3.962 0.413 1.00 . A A . 14 THR O 1 1 15 4194 1 1 14 THR OG1 O -5.179 -0.732 -1.857 1.00 . A A . 14 THR OG1 1 1 15 4195 1 1 15 LEU C C -7.892 -1.824 1.408 1.00 . A A . 15 LEU C 1 1 15 4196 1 1 15 LEU CA C -6.517 -2.317 1.936 1.00 . A A . 15 LEU CA 1 1 15 4197 1 1 15 LEU CB C -6.254 -1.857 3.393 1.00 . A A . 15 LEU CB 1 1 15 4198 1 1 15 LEU CD1 C -5.307 -3.302 5.290 1.00 . A A . 15 LEU CD1 1 1 15 4199 1 1 15 LEU CD2 C -7.648 -2.440 5.466 1.00 . A A . 15 LEU CD2 1 1 15 4200 1 1 15 LEU CG C -6.561 -2.922 4.502 1.00 . A A . 15 LEU CG 1 1 15 4201 1 1 15 LEU H H -5.304 -0.895 0.929 1.00 . A A . 15 LEU H 1 1 15 4202 1 1 15 LEU HA H -6.519 -3.398 1.911 1.00 . A A . 15 LEU HA 1 1 15 4203 1 1 15 LEU HB2 H -5.210 -1.564 3.455 1.00 . A A . 15 LEU HB2 1 1 15 4204 1 1 15 LEU HB3 H -6.855 -0.976 3.570 1.00 . A A . 15 LEU HB3 1 1 15 4205 1 1 15 LEU HD11 H -4.868 -2.413 5.719 1.00 . A A . 15 LEU HD11 1 1 15 4206 1 1 15 LEU HD12 H -5.573 -3.989 6.080 1.00 . A A . 15 LEU HD12 1 1 15 4207 1 1 15 LEU HD13 H -4.595 -3.771 4.628 1.00 . A A . 15 LEU HD13 1 1 15 4208 1 1 15 LEU HD21 H -8.510 -2.116 4.904 1.00 . A A . 15 LEU HD21 1 1 15 4209 1 1 15 LEU HD22 H -7.930 -3.249 6.124 1.00 . A A . 15 LEU HD22 1 1 15 4210 1 1 15 LEU HD23 H -7.269 -1.616 6.052 1.00 . A A . 15 LEU HD23 1 1 15 4211 1 1 15 LEU HG H -6.925 -3.825 4.029 1.00 . A A . 15 LEU HG 1 1 15 4212 1 1 15 LEU N N -5.404 -1.866 1.053 1.00 . A A . 15 LEU N 1 1 15 4213 1 1 15 LEU O O -8.022 -0.621 1.006 1.00 . A A . 15 LEU O 1 1 15 4214 1 1 16 GLU C C -11.342 -3.115 1.961 1.00 . A A . 16 GLU C 1 1 15 4215 1 1 16 GLU CA C -10.302 -2.603 0.924 1.00 . A A . 16 GLU CA 1 1 15 4216 1 1 16 GLU CB C -10.512 -3.297 -0.445 1.00 . A A . 16 GLU CB 1 1 15 4217 1 1 16 GLU CD C -10.607 -3.019 -2.987 1.00 . A A . 16 GLU CD 1 1 15 4218 1 1 16 GLU CG C -10.162 -2.423 -1.655 1.00 . A A . 16 GLU CG 1 1 15 4219 1 1 16 GLU H H -8.655 -3.700 1.720 1.00 . A A . 16 GLU H 1 1 15 4220 1 1 16 GLU HA H -10.449 -1.540 0.800 1.00 . A A . 16 GLU HA 1 1 15 4221 1 1 16 GLU HB2 H -9.897 -4.184 -0.481 1.00 . A A . 16 GLU HB2 1 1 15 4222 1 1 16 GLU HB3 H -11.549 -3.589 -0.528 1.00 . A A . 16 GLU HB3 1 1 15 4223 1 1 16 GLU HG2 H -10.639 -1.462 -1.536 1.00 . A A . 16 GLU HG2 1 1 15 4224 1 1 16 GLU HG3 H -9.088 -2.284 -1.683 1.00 . A A . 16 GLU HG3 1 1 15 4225 1 1 16 GLU N N -8.890 -2.800 1.399 1.00 . A A . 16 GLU N 1 1 15 4226 1 1 16 GLU O O -11.096 -4.168 2.631 1.00 . A A . 16 GLU O 1 1 15 4227 1 1 16 GLU OE1 O -11.748 -2.732 -3.420 1.00 . A A . 16 GLU OE1 1 1 15 4228 1 1 16 GLU OE2 O -9.811 -3.762 -3.608 1.00 . A A . 16 GLU OE2 1 1 15 4229 1 1 17 VAL C C -14.850 -3.277 2.248 1.00 . A A . 17 VAL C 1 1 15 4230 1 1 17 VAL CA C -13.662 -2.608 2.994 1.00 . A A . 17 VAL CA 1 1 15 4231 1 1 17 VAL CB C -14.168 -1.346 3.863 1.00 . A A . 17 VAL CB 1 1 15 4232 1 1 17 VAL CG1 C -13.258 -1.129 5.067 1.00 . A A . 17 VAL CG1 1 1 15 4233 1 1 17 VAL CG2 C -14.333 0.009 3.098 1.00 . A A . 17 VAL CG2 1 1 15 4234 1 1 17 VAL H H -12.564 -1.542 1.490 1.00 . A A . 17 VAL H 1 1 15 4235 1 1 17 VAL HA H -13.300 -3.348 3.699 1.00 . A A . 17 VAL HA 1 1 15 4236 1 1 17 VAL HB H -15.140 -1.614 4.256 1.00 . A A . 17 VAL HB 1 1 15 4237 1 1 17 VAL HG11 H -13.070 -2.076 5.551 1.00 . A A . 17 VAL HG11 1 1 15 4238 1 1 17 VAL HG12 H -12.324 -0.699 4.740 1.00 . A A . 17 VAL HG12 1 1 15 4239 1 1 17 VAL HG13 H -13.739 -0.458 5.765 1.00 . A A . 17 VAL HG13 1 1 15 4240 1 1 17 VAL HG21 H -15.010 -0.127 2.268 1.00 . A A . 17 VAL HG21 1 1 15 4241 1 1 17 VAL HG22 H -14.732 0.754 3.769 1.00 . A A . 17 VAL HG22 1 1 15 4242 1 1 17 VAL HG23 H -13.369 0.333 2.731 1.00 . A A . 17 VAL HG23 1 1 15 4243 1 1 17 VAL N N -12.494 -2.337 2.064 1.00 . A A . 17 VAL N 1 1 15 4244 1 1 17 VAL O O -15.407 -4.251 2.795 1.00 . A A . 17 VAL O 1 1 15 4245 1 1 17 VAL OXT O -15.205 -2.820 1.132 1.00 . A A . 17 VAL OXT 1 1 16 4246 1 1 1 MET C C -11.443 1.419 -1.180 1.00 . A A . 1 MET C 1 1 16 4247 1 1 1 MET CA C -12.827 2.078 -0.912 1.00 . A A . 1 MET CA 1 1 16 4248 1 1 1 MET CB C -12.885 2.682 0.519 1.00 . A A . 1 MET CB 1 1 16 4249 1 1 1 MET CE C -12.422 5.137 3.209 1.00 . A A . 1 MET CE 1 1 16 4250 1 1 1 MET CG C -12.659 4.197 0.600 1.00 . A A . 1 MET CG 1 1 16 4251 1 1 1 MET H1 H -13.909 0.652 -1.995 1.00 . A A . 1 MET H1 1 1 16 4252 1 1 1 MET H2 H -13.891 0.377 -0.325 1.00 . A A . 1 MET H2 1 1 16 4253 1 1 1 MET H3 H -14.862 1.601 -0.970 1.00 . A A . 1 MET H3 1 1 16 4254 1 1 1 MET HA H -12.974 2.869 -1.634 1.00 . A A . 1 MET HA 1 1 16 4255 1 1 1 MET HB2 H -13.854 2.470 0.943 1.00 . A A . 1 MET HB2 1 1 16 4256 1 1 1 MET HB3 H -12.128 2.202 1.127 1.00 . A A . 1 MET HB3 1 1 16 4257 1 1 1 MET HE1 H -11.758 4.284 3.180 1.00 . A A . 1 MET HE1 1 1 16 4258 1 1 1 MET HE2 H -11.851 6.043 3.066 1.00 . A A . 1 MET HE2 1 1 16 4259 1 1 1 MET HE3 H -12.922 5.172 4.164 1.00 . A A . 1 MET HE3 1 1 16 4260 1 1 1 MET HG2 H -11.612 4.378 0.803 1.00 . A A . 1 MET HG2 1 1 16 4261 1 1 1 MET HG3 H -12.921 4.644 -0.348 1.00 . A A . 1 MET HG3 1 1 16 4262 1 1 1 MET N N -13.951 1.109 -1.061 1.00 . A A . 1 MET N 1 1 16 4263 1 1 1 MET O O -11.218 0.233 -0.772 1.00 . A A . 1 MET O 1 1 16 4264 1 1 1 MET SD S -13.638 4.982 1.900 1.00 . A A . 1 MET SD 1 1 16 4265 1 1 2 GLN C C -8.157 2.974 -1.735 1.00 . A A . 2 GLN C 1 1 16 4266 1 1 2 GLN CA C -9.135 1.868 -2.210 1.00 . A A . 2 GLN CA 1 1 16 4267 1 1 2 GLN CB C -8.978 1.575 -3.727 1.00 . A A . 2 GLN CB 1 1 16 4268 1 1 2 GLN CD C -9.498 -0.063 -5.622 1.00 . A A . 2 GLN CD 1 1 16 4269 1 1 2 GLN CG C -9.278 0.128 -4.120 1.00 . A A . 2 GLN CG 1 1 16 4270 1 1 2 GLN H H -10.830 3.141 -2.102 1.00 . A A . 2 GLN H 1 1 16 4271 1 1 2 GLN HA H -8.901 0.967 -1.656 1.00 . A A . 2 GLN HA 1 1 16 4272 1 1 2 GLN HB2 H -9.643 2.221 -4.278 1.00 . A A . 2 GLN HB2 1 1 16 4273 1 1 2 GLN HB3 H -7.956 1.794 -4.013 1.00 . A A . 2 GLN HB3 1 1 16 4274 1 1 2 GLN HE21 H -7.554 -0.472 -5.930 1.00 . A A . 2 GLN HE21 1 1 16 4275 1 1 2 GLN HE22 H -8.563 -0.500 -7.332 1.00 . A A . 2 GLN HE22 1 1 16 4276 1 1 2 GLN HG2 H -8.445 -0.491 -3.816 1.00 . A A . 2 GLN HG2 1 1 16 4277 1 1 2 GLN HG3 H -10.168 -0.193 -3.598 1.00 . A A . 2 GLN HG3 1 1 16 4278 1 1 2 GLN N N -10.536 2.237 -1.853 1.00 . A A . 2 GLN N 1 1 16 4279 1 1 2 GLN NE2 N -8.428 -0.377 -6.369 1.00 . A A . 2 GLN NE2 1 1 16 4280 1 1 2 GLN O O -8.383 4.198 -2.020 1.00 . A A . 2 GLN O 1 1 16 4281 1 1 2 GLN OE1 O -10.626 0.057 -6.114 1.00 . A A . 2 GLN OE1 1 1 16 4282 1 1 3 ILE C C -4.665 2.537 -0.375 1.00 . A A . 3 ILE C 1 1 16 4283 1 1 3 ILE CA C -5.993 3.337 -0.369 1.00 . A A . 3 ILE CA 1 1 16 4284 1 1 3 ILE CB C -6.315 3.979 1.083 1.00 . A A . 3 ILE CB 1 1 16 4285 1 1 3 ILE CD1 C -6.316 2.715 3.386 1.00 . A A . 3 ILE CD1 1 1 16 4286 1 1 3 ILE CG1 C -7.069 3.011 2.100 1.00 . A A . 3 ILE CG1 1 1 16 4287 1 1 3 ILE CG2 C -7.105 5.285 0.896 1.00 . A A . 3 ILE CG2 1 1 16 4288 1 1 3 ILE H H -7.044 1.532 -0.812 1.00 . A A . 3 ILE H 1 1 16 4289 1 1 3 ILE HA H -5.844 4.163 -1.059 1.00 . A A . 3 ILE HA 1 1 16 4290 1 1 3 ILE HB H -5.361 4.258 1.511 1.00 . A A . 3 ILE HB 1 1 16 4291 1 1 3 ILE HD11 H -5.932 3.637 3.796 1.00 . A A . 3 ILE HD11 1 1 16 4292 1 1 3 ILE HD12 H -6.991 2.259 4.095 1.00 . A A . 3 ILE HD12 1 1 16 4293 1 1 3 ILE HD13 H -5.499 2.042 3.179 1.00 . A A . 3 ILE HD13 1 1 16 4294 1 1 3 ILE HG21 H -6.565 5.940 0.228 1.00 . A A . 3 ILE HG21 1 1 16 4295 1 1 3 ILE HG22 H -8.076 5.063 0.477 1.00 . A A . 3 ILE HG22 1 1 16 4296 1 1 3 ILE HG23 H -7.230 5.772 1.852 1.00 . A A . 3 ILE HG23 1 1 16 4297 1 1 3 ILE N N -7.091 2.501 -0.980 1.00 . A A . 3 ILE N 1 1 16 4298 1 1 3 ILE O O -4.622 1.393 0.176 1.00 . A A . 3 ILE O 1 1 16 4299 1 1 4 PHE C C -1.209 3.192 -0.292 1.00 . A A . 4 PHE C 1 1 16 4300 1 1 4 PHE CA C -2.258 2.593 -1.262 1.00 . A A . 4 PHE CA 1 1 16 4301 1 1 4 PHE CB C -1.829 2.813 -2.754 1.00 . A A . 4 PHE CB 1 1 16 4302 1 1 4 PHE CD1 C -3.340 1.373 -4.459 1.00 . A A . 4 PHE CD1 1 1 16 4303 1 1 4 PHE CD2 C -0.836 0.684 -4.011 1.00 . A A . 4 PHE CD2 1 1 16 4304 1 1 4 PHE CE1 C -3.483 0.221 -5.427 1.00 . A A . 4 PHE CE1 1 1 16 4305 1 1 4 PHE CE2 C -0.983 -0.463 -4.988 1.00 . A A . 4 PHE CE2 1 1 16 4306 1 1 4 PHE CG C -2.008 1.626 -3.720 1.00 . A A . 4 PHE CG 1 1 16 4307 1 1 4 PHE CZ C -2.306 -0.697 -5.694 1.00 . A A . 4 PHE CZ 1 1 16 4308 1 1 4 PHE H H -3.805 4.030 -1.474 1.00 . A A . 4 PHE H 1 1 16 4309 1 1 4 PHE HA H -2.319 1.532 -1.079 1.00 . A A . 4 PHE HA 1 1 16 4310 1 1 4 PHE HB2 H -2.403 3.632 -3.154 1.00 . A A . 4 PHE HB2 1 1 16 4311 1 1 4 PHE HB3 H -0.785 3.088 -2.768 1.00 . A A . 4 PHE HB3 1 1 16 4312 1 1 4 PHE HD1 H -4.187 2.014 -4.266 1.00 . A A . 4 PHE HD1 1 1 16 4313 1 1 4 PHE HD2 H 0.104 0.840 -3.506 1.00 . A A . 4 PHE HD2 1 1 16 4314 1 1 4 PHE HE1 H -4.425 0.050 -5.922 1.00 . A A . 4 PHE HE1 1 1 16 4315 1 1 4 PHE HE2 H -0.147 -1.117 -5.180 1.00 . A A . 4 PHE HE2 1 1 16 4316 1 1 4 PHE HZ H -2.408 -1.516 -6.391 1.00 . A A . 4 PHE HZ 1 1 16 4317 1 1 4 PHE N N -3.626 3.156 -1.059 1.00 . A A . 4 PHE N 1 1 16 4318 1 1 4 PHE O O -1.269 4.421 0.023 1.00 . A A . 4 PHE O 1 1 16 4319 1 1 5 VAL C C 2.220 1.989 0.552 1.00 . A A . 5 VAL C 1 1 16 4320 1 1 5 VAL CA C 0.887 2.585 1.096 1.00 . A A . 5 VAL CA 1 1 16 4321 1 1 5 VAL CB C 0.648 2.184 2.644 1.00 . A A . 5 VAL CB 1 1 16 4322 1 1 5 VAL CG1 C -0.210 3.236 3.340 1.00 . A A . 5 VAL CG1 1 1 16 4323 1 1 5 VAL CG2 C 0.036 0.771 2.912 1.00 . A A . 5 VAL CG2 1 1 16 4324 1 1 5 VAL H H -0.320 1.353 -0.169 1.00 . A A . 5 VAL H 1 1 16 4325 1 1 5 VAL HA H 1.004 3.663 1.062 1.00 . A A . 5 VAL HA 1 1 16 4326 1 1 5 VAL HB H 1.619 2.211 3.126 1.00 . A A . 5 VAL HB 1 1 16 4327 1 1 5 VAL HG11 H 0.240 4.209 3.212 1.00 . A A . 5 VAL HG11 1 1 16 4328 1 1 5 VAL HG12 H -1.199 3.237 2.907 1.00 . A A . 5 VAL HG12 1 1 16 4329 1 1 5 VAL HG13 H -0.278 3.006 4.393 1.00 . A A . 5 VAL HG13 1 1 16 4330 1 1 5 VAL HG21 H 0.563 0.033 2.326 1.00 . A A . 5 VAL HG21 1 1 16 4331 1 1 5 VAL HG22 H 0.129 0.530 3.961 1.00 . A A . 5 VAL HG22 1 1 16 4332 1 1 5 VAL HG23 H -1.008 0.772 2.632 1.00 . A A . 5 VAL HG23 1 1 16 4333 1 1 5 VAL N N -0.256 2.278 0.155 1.00 . A A . 5 VAL N 1 1 16 4334 1 1 5 VAL O O 2.254 0.770 0.203 1.00 . A A . 5 VAL O 1 1 16 4335 1 1 6 LYS C C 5.760 3.048 0.977 1.00 . A A . 6 LYS C 1 1 16 4336 1 1 6 LYS CA C 4.657 2.587 -0.024 1.00 . A A . 6 LYS CA 1 1 16 4337 1 1 6 LYS CB C 4.868 3.245 -1.416 1.00 . A A . 6 LYS CB 1 1 16 4338 1 1 6 LYS CD C 5.704 3.054 -3.814 1.00 . A A . 6 LYS CD 1 1 16 4339 1 1 6 LYS CE C 6.911 2.555 -4.605 1.00 . A A . 6 LYS CE 1 1 16 4340 1 1 6 LYS CG C 5.582 2.363 -2.449 1.00 . A A . 6 LYS CG 1 1 16 4341 1 1 6 LYS H H 3.111 3.818 0.767 1.00 . A A . 6 LYS H 1 1 16 4342 1 1 6 LYS HA H 4.724 1.512 -0.131 1.00 . A A . 6 LYS HA 1 1 16 4343 1 1 6 LYS HB2 H 3.903 3.514 -1.819 1.00 . A A . 6 LYS HB2 1 1 16 4344 1 1 6 LYS HB3 H 5.451 4.146 -1.285 1.00 . A A . 6 LYS HB3 1 1 16 4345 1 1 6 LYS HD2 H 4.811 2.851 -4.387 1.00 . A A . 6 LYS HD2 1 1 16 4346 1 1 6 LYS HD3 H 5.803 4.122 -3.668 1.00 . A A . 6 LYS HD3 1 1 16 4347 1 1 6 LYS HE2 H 7.806 2.987 -4.179 1.00 . A A . 6 LYS HE2 1 1 16 4348 1 1 6 LYS HE3 H 6.959 1.479 -4.527 1.00 . A A . 6 LYS HE3 1 1 16 4349 1 1 6 LYS HG2 H 6.570 2.130 -2.076 1.00 . A A . 6 LYS HG2 1 1 16 4350 1 1 6 LYS HG3 H 5.020 1.447 -2.570 1.00 . A A . 6 LYS HG3 1 1 16 4351 1 1 6 LYS HZ1 H 6.648 3.956 -6.133 1.00 . A A . 6 LYS HZ1 1 1 16 4352 1 1 6 LYS HZ2 H 7.723 2.708 -6.523 1.00 . A A . 6 LYS HZ2 1 1 16 4353 1 1 6 LYS HZ3 H 6.058 2.415 -6.506 1.00 . A A . 6 LYS HZ3 1 1 16 4354 1 1 6 LYS N N 3.278 2.894 0.478 1.00 . A A . 6 LYS N 1 1 16 4355 1 1 6 LYS NZ N 6.829 2.935 -6.042 1.00 . A A . 6 LYS NZ 1 1 16 4356 1 1 6 LYS O O 5.616 4.134 1.621 1.00 . A A . 6 LYS O 1 1 16 4357 1 1 7 THR C C 9.416 2.384 1.076 1.00 . A A . 7 THR C 1 1 16 4358 1 1 7 THR CA C 8.075 2.397 1.925 1.00 . A A . 7 THR CA 1 1 16 4359 1 1 7 THR CB C 8.103 1.434 3.227 1.00 . A A . 7 THR CB 1 1 16 4360 1 1 7 THR CG2 C 8.126 -0.099 2.965 1.00 . A A . 7 THR CG2 1 1 16 4361 1 1 7 THR H H 6.846 1.380 0.495 1.00 . A A . 7 THR H 1 1 16 4362 1 1 7 THR HA H 7.977 3.412 2.300 1.00 . A A . 7 THR HA 1 1 16 4363 1 1 7 THR HB H 7.211 1.652 3.789 1.00 . A A . 7 THR HB 1 1 16 4364 1 1 7 THR HG1 H 8.990 1.576 4.988 1.00 . A A . 7 THR HG1 1 1 16 4365 1 1 7 THR HG21 H 8.508 -0.289 1.974 1.00 . A A . 7 THR HG21 1 1 16 4366 1 1 7 THR HG22 H 8.761 -0.579 3.695 1.00 . A A . 7 THR HG22 1 1 16 4367 1 1 7 THR HG23 H 7.122 -0.493 3.046 1.00 . A A . 7 THR HG23 1 1 16 4368 1 1 7 THR N N 6.855 2.189 1.058 1.00 . A A . 7 THR N 1 1 16 4369 1 1 7 THR O O 9.445 1.797 -0.044 1.00 . A A . 7 THR O 1 1 16 4370 1 1 7 THR OG1 O 9.217 1.761 4.074 1.00 . A A . 7 THR OG1 1 1 16 4371 1 1 8 LEU C C 12.696 1.843 0.967 1.00 . A A . 8 LEU C 1 1 16 4372 1 1 8 LEU CA C 11.895 3.200 1.095 1.00 . A A . 8 LEU CA 1 1 16 4373 1 1 8 LEU CB C 12.693 4.243 1.941 1.00 . A A . 8 LEU CB 1 1 16 4374 1 1 8 LEU CD1 C 12.431 6.788 1.619 1.00 . A A . 8 LEU CD1 1 1 16 4375 1 1 8 LEU CD2 C 14.681 5.737 1.303 1.00 . A A . 8 LEU CD2 1 1 16 4376 1 1 8 LEU CG C 13.172 5.523 1.166 1.00 . A A . 8 LEU CG 1 1 16 4377 1 1 8 LEU H H 10.325 3.455 2.556 1.00 . A A . 8 LEU H 1 1 16 4378 1 1 8 LEU HA H 11.773 3.596 0.097 1.00 . A A . 8 LEU HA 1 1 16 4379 1 1 8 LEU HB2 H 12.062 4.544 2.769 1.00 . A A . 8 LEU HB2 1 1 16 4380 1 1 8 LEU HB3 H 13.556 3.736 2.350 1.00 . A A . 8 LEU HB3 1 1 16 4381 1 1 8 LEU HD11 H 12.530 6.900 2.688 1.00 . A A . 8 LEU HD11 1 1 16 4382 1 1 8 LEU HD12 H 12.854 7.650 1.125 1.00 . A A . 8 LEU HD12 1 1 16 4383 1 1 8 LEU HD13 H 11.385 6.702 1.361 1.00 . A A . 8 LEU HD13 1 1 16 4384 1 1 8 LEU HD21 H 15.197 4.822 1.054 1.00 . A A . 8 LEU HD21 1 1 16 4385 1 1 8 LEU HD22 H 14.995 6.521 0.631 1.00 . A A . 8 LEU HD22 1 1 16 4386 1 1 8 LEU HD23 H 14.914 6.018 2.319 1.00 . A A . 8 LEU HD23 1 1 16 4387 1 1 8 LEU HG H 12.958 5.390 0.115 1.00 . A A . 8 LEU HG 1 1 16 4388 1 1 8 LEU N N 10.494 3.049 1.673 1.00 . A A . 8 LEU N 1 1 16 4389 1 1 8 LEU O O 13.676 1.785 0.157 1.00 . A A . 8 LEU O 1 1 16 4390 1 1 9 ASP C C 12.532 -1.447 0.478 1.00 . A A . 9 ASP C 1 1 16 4391 1 1 9 ASP CA C 12.819 -0.631 1.777 1.00 . A A . 9 ASP CA 1 1 16 4392 1 1 9 ASP CB C 12.318 -1.404 3.023 1.00 . A A . 9 ASP CB 1 1 16 4393 1 1 9 ASP CG C 13.072 -1.043 4.299 1.00 . A A . 9 ASP CG 1 1 16 4394 1 1 9 ASP H H 11.443 0.933 2.306 1.00 . A A . 9 ASP H 1 1 16 4395 1 1 9 ASP HA H 13.890 -0.515 1.860 1.00 . A A . 9 ASP HA 1 1 16 4396 1 1 9 ASP HB2 H 11.272 -1.185 3.176 1.00 . A A . 9 ASP HB2 1 1 16 4397 1 1 9 ASP HB3 H 12.434 -2.465 2.847 1.00 . A A . 9 ASP HB3 1 1 16 4398 1 1 9 ASP N N 12.232 0.768 1.745 1.00 . A A . 9 ASP N 1 1 16 4399 1 1 9 ASP O O 13.453 -2.192 0.040 1.00 . A A . 9 ASP O 1 1 16 4400 1 1 9 ASP OD1 O 14.091 -1.704 4.599 1.00 . A A . 9 ASP OD1 1 1 16 4401 1 1 9 ASP OD2 O 12.632 -0.107 5.007 1.00 . A A . 9 ASP OD2 1 1 16 4402 1 1 10 GLY C C 9.569 -2.801 -1.150 1.00 . A A . 10 GLY C 1 1 16 4403 1 1 10 GLY CA C 10.804 -1.933 -1.354 1.00 . A A . 10 GLY CA 1 1 16 4404 1 1 10 GLY H H 10.648 -0.643 0.336 1.00 . A A . 10 GLY H 1 1 16 4405 1 1 10 GLY HA2 H 11.605 -2.550 -1.734 1.00 . A A . 10 GLY HA2 1 1 16 4406 1 1 10 GLY HA3 H 10.575 -1.175 -2.086 1.00 . A A . 10 GLY HA3 1 1 16 4407 1 1 10 GLY N N 11.268 -1.266 -0.107 1.00 . A A . 10 GLY N 1 1 16 4408 1 1 10 GLY O O 9.682 -4.042 -1.328 1.00 . A A . 10 GLY O 1 1 16 4409 1 1 11 LYS C C 5.910 -1.932 -1.188 1.00 . A A . 11 LYS C 1 1 16 4410 1 1 11 LYS CA C 7.059 -2.751 -0.532 1.00 . A A . 11 LYS CA 1 1 16 4411 1 1 11 LYS CB C 6.774 -2.900 0.988 1.00 . A A . 11 LYS CB 1 1 16 4412 1 1 11 LYS CD C 7.138 -4.112 3.162 1.00 . A A . 11 LYS CD 1 1 16 4413 1 1 11 LYS CE C 8.082 -5.037 3.912 1.00 . A A . 11 LYS CE 1 1 16 4414 1 1 11 LYS CG C 7.402 -4.118 1.656 1.00 . A A . 11 LYS CG 1 1 16 4415 1 1 11 LYS H H 8.460 -1.143 -0.682 1.00 . A A . 11 LYS H 1 1 16 4416 1 1 11 LYS HA H 7.075 -3.733 -0.981 1.00 . A A . 11 LYS HA 1 1 16 4417 1 1 11 LYS HB2 H 7.142 -2.024 1.490 1.00 . A A . 11 LYS HB2 1 1 16 4418 1 1 11 LYS HB3 H 5.704 -2.955 1.131 1.00 . A A . 11 LYS HB3 1 1 16 4419 1 1 11 LYS HD2 H 7.271 -3.108 3.541 1.00 . A A . 11 LYS HD2 1 1 16 4420 1 1 11 LYS HD3 H 6.121 -4.433 3.338 1.00 . A A . 11 LYS HD3 1 1 16 4421 1 1 11 LYS HE2 H 8.165 -5.967 3.370 1.00 . A A . 11 LYS HE2 1 1 16 4422 1 1 11 LYS HE3 H 9.051 -4.563 3.970 1.00 . A A . 11 LYS HE3 1 1 16 4423 1 1 11 LYS HG2 H 6.976 -5.014 1.228 1.00 . A A . 11 LYS HG2 1 1 16 4424 1 1 11 LYS HG3 H 8.468 -4.102 1.483 1.00 . A A . 11 LYS HG3 1 1 16 4425 1 1 11 LYS HZ1 H 7.461 -4.436 5.813 1.00 . A A . 11 LYS HZ1 1 1 16 4426 1 1 11 LYS HZ2 H 6.696 -5.837 5.254 1.00 . A A . 11 LYS HZ2 1 1 16 4427 1 1 11 LYS HZ3 H 8.295 -5.908 5.799 1.00 . A A . 11 LYS HZ3 1 1 16 4428 1 1 11 LYS N N 8.406 -2.120 -0.782 1.00 . A A . 11 LYS N 1 1 16 4429 1 1 11 LYS NZ N 7.600 -5.325 5.291 1.00 . A A . 11 LYS NZ 1 1 16 4430 1 1 11 LYS O O 5.954 -0.657 -1.175 1.00 . A A . 11 LYS O 1 1 16 4431 1 1 12 THR C C 2.432 -3.091 -2.035 1.00 . A A . 12 THR C 1 1 16 4432 1 1 12 THR CA C 3.637 -2.172 -2.395 1.00 . A A . 12 THR CA 1 1 16 4433 1 1 12 THR CB C 3.767 -1.954 -3.963 1.00 . A A . 12 THR CB 1 1 16 4434 1 1 12 THR CG2 C 4.507 -0.655 -4.294 1.00 . A A . 12 THR CG2 1 1 16 4435 1 1 12 THR H H 4.955 -3.681 -1.669 1.00 . A A . 12 THR H 1 1 16 4436 1 1 12 THR HA H 3.444 -1.204 -1.945 1.00 . A A . 12 THR HA 1 1 16 4437 1 1 12 THR HB H 2.770 -1.887 -4.371 1.00 . A A . 12 THR HB 1 1 16 4438 1 1 12 THR HG1 H 5.308 -3.174 -4.186 1.00 . A A . 12 THR HG1 1 1 16 4439 1 1 12 THR HG21 H 4.237 0.108 -3.577 1.00 . A A . 12 THR HG21 1 1 16 4440 1 1 12 THR HG22 H 5.571 -0.827 -4.252 1.00 . A A . 12 THR HG22 1 1 16 4441 1 1 12 THR HG23 H 4.234 -0.328 -5.287 1.00 . A A . 12 THR HG23 1 1 16 4442 1 1 12 THR N N 4.878 -2.704 -1.735 1.00 . A A . 12 THR N 1 1 16 4443 1 1 12 THR O O 2.405 -4.307 -2.428 1.00 . A A . 12 THR O 1 1 16 4444 1 1 12 THR OG1 O 4.440 -3.062 -4.582 1.00 . A A . 12 THR OG1 1 1 16 4445 1 1 13 ILE C C -0.953 -2.128 -0.489 1.00 . A A . 13 ILE C 1 1 16 4446 1 1 13 ILE CA C 0.209 -3.146 -0.679 1.00 . A A . 13 ILE CA 1 1 16 4447 1 1 13 ILE CB C 0.399 -4.019 0.671 1.00 . A A . 13 ILE CB 1 1 16 4448 1 1 13 ILE CD1 C 0.603 -3.262 3.195 1.00 . A A . 13 ILE CD1 1 1 16 4449 1 1 13 ILE CG1 C 1.273 -3.329 1.822 1.00 . A A . 13 ILE CG1 1 1 16 4450 1 1 13 ILE CG2 C 0.965 -5.408 0.310 1.00 . A A . 13 ILE CG2 1 1 16 4451 1 1 13 ILE H H 1.628 -1.549 -0.947 1.00 . A A . 13 ILE H 1 1 16 4452 1 1 13 ILE HA H -0.114 -3.830 -1.456 1.00 . A A . 13 ILE HA 1 1 16 4453 1 1 13 ILE HB H -0.597 -4.193 1.058 1.00 . A A . 13 ILE HB 1 1 16 4454 1 1 13 ILE HD11 H 0.157 -4.220 3.418 1.00 . A A . 13 ILE HD11 1 1 16 4455 1 1 13 ILE HD12 H 1.343 -3.026 3.945 1.00 . A A . 13 ILE HD12 1 1 16 4456 1 1 13 ILE HD13 H -0.162 -2.500 3.187 1.00 . A A . 13 ILE HD13 1 1 16 4457 1 1 13 ILE HG12 H 2.205 -3.859 1.945 1.00 . A A . 13 ILE HG12 1 1 16 4458 1 1 13 ILE HG13 H 1.490 -2.313 1.520 1.00 . A A . 13 ILE HG13 1 1 16 4459 1 1 13 ILE HG21 H 1.908 -5.292 -0.203 1.00 . A A . 13 ILE HG21 1 1 16 4460 1 1 13 ILE HG22 H 1.117 -5.976 1.217 1.00 . A A . 13 ILE HG22 1 1 16 4461 1 1 13 ILE HG23 H 0.268 -5.928 -0.329 1.00 . A A . 13 ILE HG23 1 1 16 4462 1 1 13 ILE N N 1.470 -2.483 -1.221 1.00 . A A . 13 ILE N 1 1 16 4463 1 1 13 ILE O O -0.698 -0.992 0.007 1.00 . A A . 13 ILE O 1 1 16 4464 1 1 14 THR C C -4.519 -2.528 0.189 1.00 . A A . 14 THR C 1 1 16 4465 1 1 14 THR CA C -3.496 -1.821 -0.768 1.00 . A A . 14 THR CA 1 1 16 4466 1 1 14 THR CB C -4.134 -1.407 -2.193 1.00 . A A . 14 THR CB 1 1 16 4467 1 1 14 THR CG2 C -4.437 -2.560 -3.198 1.00 . A A . 14 THR CG2 1 1 16 4468 1 1 14 THR H H -2.268 -3.509 -1.229 1.00 . A A . 14 THR H 1 1 16 4469 1 1 14 THR HA H -3.223 -0.893 -0.275 1.00 . A A . 14 THR HA 1 1 16 4470 1 1 14 THR HB H -3.418 -0.751 -2.672 1.00 . A A . 14 THR HB 1 1 16 4471 1 1 14 THR HG1 H -5.110 0.279 -1.837 1.00 . A A . 14 THR HG1 1 1 16 4472 1 1 14 THR HG21 H -3.617 -3.262 -3.201 1.00 . A A . 14 THR HG21 1 1 16 4473 1 1 14 THR HG22 H -5.345 -3.065 -2.906 1.00 . A A . 14 THR HG22 1 1 16 4474 1 1 14 THR HG23 H -4.559 -2.142 -4.188 1.00 . A A . 14 THR HG23 1 1 16 4475 1 1 14 THR N N -2.207 -2.595 -0.874 1.00 . A A . 14 THR N 1 1 16 4476 1 1 14 THR O O -4.589 -3.792 0.205 1.00 . A A . 14 THR O 1 1 16 4477 1 1 14 THR OG1 O -5.339 -0.634 -2.022 1.00 . A A . 14 THR OG1 1 1 16 4478 1 1 15 LEU C C -7.755 -1.639 1.340 1.00 . A A . 15 LEU C 1 1 16 4479 1 1 15 LEU CA C -6.357 -2.033 1.896 1.00 . A A . 15 LEU CA 1 1 16 4480 1 1 15 LEU CB C -6.068 -1.407 3.286 1.00 . A A . 15 LEU CB 1 1 16 4481 1 1 15 LEU CD1 C -5.095 -2.598 5.340 1.00 . A A . 15 LEU CD1 1 1 16 4482 1 1 15 LEU CD2 C -7.451 -1.765 5.418 1.00 . A A . 15 LEU CD2 1 1 16 4483 1 1 15 LEU CG C -6.356 -2.338 4.516 1.00 . A A . 15 LEU CG 1 1 16 4484 1 1 15 LEU H H -5.146 -0.686 0.793 1.00 . A A . 15 LEU H 1 1 16 4485 1 1 15 LEU HA H -6.328 -3.111 1.987 1.00 . A A . 15 LEU HA 1 1 16 4486 1 1 15 LEU HB2 H -5.022 -1.114 3.296 1.00 . A A . 15 LEU HB2 1 1 16 4487 1 1 15 LEU HB3 H -6.664 -0.509 3.372 1.00 . A A . 15 LEU HB3 1 1 16 4488 1 1 15 LEU HD11 H -4.687 -1.658 5.680 1.00 . A A . 15 LEU HD11 1 1 16 4489 1 1 15 LEU HD12 H -5.344 -3.213 6.193 1.00 . A A . 15 LEU HD12 1 1 16 4490 1 1 15 LEU HD13 H -4.366 -3.108 4.729 1.00 . A A . 15 LEU HD13 1 1 16 4491 1 1 15 LEU HD21 H -8.297 -1.469 4.815 1.00 . A A . 15 LEU HD21 1 1 16 4492 1 1 15 LEU HD22 H -7.761 -2.516 6.129 1.00 . A A . 15 LEU HD22 1 1 16 4493 1 1 15 LEU HD23 H -7.068 -0.904 5.948 1.00 . A A . 15 LEU HD23 1 1 16 4494 1 1 15 LEU HG H -6.704 -3.296 4.154 1.00 . A A . 15 LEU HG 1 1 16 4495 1 1 15 LEU N N -5.295 -1.649 0.929 1.00 . A A . 15 LEU N 1 1 16 4496 1 1 15 LEU O O -7.945 -0.465 0.874 1.00 . A A . 15 LEU O 1 1 16 4497 1 1 16 GLU C C -11.144 -3.020 1.914 1.00 . A A . 16 GLU C 1 1 16 4498 1 1 16 GLU CA C -10.105 -2.566 0.855 1.00 . A A . 16 GLU CA 1 1 16 4499 1 1 16 GLU CB C -10.259 -3.385 -0.452 1.00 . A A . 16 GLU CB 1 1 16 4500 1 1 16 GLU CD C -10.428 -3.249 -3.005 1.00 . A A . 16 GLU CD 1 1 16 4501 1 1 16 GLU CG C -9.877 -2.618 -1.729 1.00 . A A . 16 GLU CG 1 1 16 4502 1 1 16 GLU H H -8.416 -3.539 1.721 1.00 . A A . 16 GLU H 1 1 16 4503 1 1 16 GLU HA H -10.289 -1.524 0.632 1.00 . A A . 16 GLU HA 1 1 16 4504 1 1 16 GLU HB2 H -9.633 -4.261 -0.387 1.00 . A A . 16 GLU HB2 1 1 16 4505 1 1 16 GLU HB3 H -11.289 -3.697 -0.544 1.00 . A A . 16 GLU HB3 1 1 16 4506 1 1 16 GLU HG2 H -10.260 -1.611 -1.655 1.00 . A A . 16 GLU HG2 1 1 16 4507 1 1 16 GLU HG3 H -8.796 -2.581 -1.802 1.00 . A A . 16 GLU HG3 1 1 16 4508 1 1 16 GLU N N -8.695 -2.666 1.363 1.00 . A A . 16 GLU N 1 1 16 4509 1 1 16 GLU O O -10.877 -3.999 2.681 1.00 . A A . 16 GLU O 1 1 16 4510 1 1 16 GLU OE1 O -11.552 -2.882 -3.416 1.00 . A A . 16 GLU OE1 1 1 16 4511 1 1 16 GLU OE2 O -9.727 -4.100 -3.602 1.00 . A A . 16 GLU OE2 1 1 16 4512 1 1 17 VAL C C -14.842 -2.595 2.080 1.00 . A A . 17 VAL C 1 1 16 4513 1 1 17 VAL CA C -13.501 -2.501 2.857 1.00 . A A . 17 VAL CA 1 1 16 4514 1 1 17 VAL CB C -13.622 -1.462 4.087 1.00 . A A . 17 VAL CB 1 1 16 4515 1 1 17 VAL CG1 C -12.655 -1.843 5.204 1.00 . A A . 17 VAL CG1 1 1 16 4516 1 1 17 VAL CG2 C -13.434 0.052 3.746 1.00 . A A . 17 VAL CG2 1 1 16 4517 1 1 17 VAL H H -12.407 -1.538 1.280 1.00 . A A . 17 VAL H 1 1 16 4518 1 1 17 VAL HA H -13.338 -3.481 3.290 1.00 . A A . 17 VAL HA 1 1 16 4519 1 1 17 VAL HB H -14.619 -1.581 4.491 1.00 . A A . 17 VAL HB 1 1 16 4520 1 1 17 VAL HG11 H -12.752 -2.896 5.421 1.00 . A A . 17 VAL HG11 1 1 16 4521 1 1 17 VAL HG12 H -11.644 -1.631 4.893 1.00 . A A . 17 VAL HG12 1 1 16 4522 1 1 17 VAL HG13 H -12.887 -1.270 6.090 1.00 . A A . 17 VAL HG13 1 1 16 4523 1 1 17 VAL HG21 H -12.455 0.206 3.317 1.00 . A A . 17 VAL HG21 1 1 16 4524 1 1 17 VAL HG22 H -14.189 0.358 3.036 1.00 . A A . 17 VAL HG22 1 1 16 4525 1 1 17 VAL HG23 H -13.531 0.639 4.648 1.00 . A A . 17 VAL HG23 1 1 16 4526 1 1 17 VAL N N -12.324 -2.275 1.927 1.00 . A A . 17 VAL N 1 1 16 4527 1 1 17 VAL O O -15.634 -3.508 2.394 1.00 . A A . 17 VAL O 1 1 16 4528 1 1 17 VAL OXT O -15.082 -1.760 1.172 1.00 . A A . 17 VAL OXT 1 1 17 4529 1 1 1 MET C C -12.148 2.048 -1.707 1.00 . A A . 1 MET C 1 1 17 4530 1 1 1 MET CA C -13.480 2.832 -1.913 1.00 . A A . 1 MET CA 1 1 17 4531 1 1 1 MET CB C -13.838 3.769 -0.675 1.00 . A A . 1 MET CB 1 1 17 4532 1 1 1 MET CE C -16.779 4.255 1.478 1.00 . A A . 1 MET CE 1 1 17 4533 1 1 1 MET CG C -14.375 3.128 0.647 1.00 . A A . 1 MET CG 1 1 17 4534 1 1 1 MET H1 H -14.290 1.161 -2.900 1.00 . A A . 1 MET H1 1 1 17 4535 1 1 1 MET H2 H -15.038 1.506 -1.424 1.00 . A A . 1 MET H2 1 1 17 4536 1 1 1 MET H3 H -15.360 2.465 -2.781 1.00 . A A . 1 MET H3 1 1 17 4537 1 1 1 MET HA H -13.324 3.476 -2.768 1.00 . A A . 1 MET HA 1 1 17 4538 1 1 1 MET HB2 H -12.949 4.317 -0.413 1.00 . A A . 1 MET HB2 1 1 17 4539 1 1 1 MET HB3 H -14.580 4.484 -1.011 1.00 . A A . 1 MET HB3 1 1 17 4540 1 1 1 MET HE1 H -16.287 5.142 1.106 1.00 . A A . 1 MET HE1 1 1 17 4541 1 1 1 MET HE2 H -17.844 4.339 1.320 1.00 . A A . 1 MET HE2 1 1 17 4542 1 1 1 MET HE3 H -16.579 4.147 2.534 1.00 . A A . 1 MET HE3 1 1 17 4543 1 1 1 MET HG2 H -13.869 2.189 0.805 1.00 . A A . 1 MET HG2 1 1 17 4544 1 1 1 MET HG3 H -14.158 3.795 1.468 1.00 . A A . 1 MET HG3 1 1 17 4545 1 1 1 MET N N -14.624 1.926 -2.281 1.00 . A A . 1 MET N 1 1 17 4546 1 1 1 MET O O -12.168 0.967 -1.051 1.00 . A A . 1 MET O 1 1 17 4547 1 1 1 MET SD S -16.155 2.820 0.602 1.00 . A A . 1 MET SD 1 1 17 4548 1 1 2 GLN C C -8.607 3.206 -1.816 1.00 . A A . 2 GLN C 1 1 17 4549 1 1 2 GLN CA C -9.624 2.107 -2.229 1.00 . A A . 2 GLN CA 1 1 17 4550 1 1 2 GLN CB C -9.217 1.484 -3.594 1.00 . A A . 2 GLN CB 1 1 17 4551 1 1 2 GLN CD C -9.830 -0.534 -5.045 1.00 . A A . 2 GLN CD 1 1 17 4552 1 1 2 GLN CG C -9.349 -0.042 -3.677 1.00 . A A . 2 GLN CG 1 1 17 4553 1 1 2 GLN H H -11.148 3.490 -2.756 1.00 . A A . 2 GLN H 1 1 17 4554 1 1 2 GLN HA H -9.607 1.335 -1.472 1.00 . A A . 2 GLN HA 1 1 17 4555 1 1 2 GLN HB2 H -9.833 1.914 -4.367 1.00 . A A . 2 GLN HB2 1 1 17 4556 1 1 2 GLN HB3 H -8.185 1.739 -3.790 1.00 . A A . 2 GLN HB3 1 1 17 4557 1 1 2 GLN HE21 H -7.946 -0.738 -5.716 1.00 . A A . 2 GLN HE21 1 1 17 4558 1 1 2 GLN HE22 H -9.197 -1.155 -6.834 1.00 . A A . 2 GLN HE22 1 1 17 4559 1 1 2 GLN HG2 H -8.380 -0.482 -3.480 1.00 . A A . 2 GLN HG2 1 1 17 4560 1 1 2 GLN HG3 H -10.050 -0.376 -2.925 1.00 . A A . 2 GLN HG3 1 1 17 4561 1 1 2 GLN N N -11.023 2.642 -2.281 1.00 . A A . 2 GLN N 1 1 17 4562 1 1 2 GLN NE2 N -8.895 -0.840 -5.957 1.00 . A A . 2 GLN NE2 1 1 17 4563 1 1 2 GLN O O -8.738 4.393 -2.261 1.00 . A A . 2 GLN O 1 1 17 4564 1 1 2 GLN OE1 O -11.036 -0.653 -5.281 1.00 . A A . 2 GLN OE1 1 1 17 4565 1 1 3 ILE C C -5.150 2.797 -0.487 1.00 . A A . 3 ILE C 1 1 17 4566 1 1 3 ILE CA C -6.481 3.594 -0.423 1.00 . A A . 3 ILE CA 1 1 17 4567 1 1 3 ILE CB C -6.736 4.228 1.044 1.00 . A A . 3 ILE CB 1 1 17 4568 1 1 3 ILE CD1 C -8.752 2.574 2.126 1.00 . A A . 3 ILE CD1 1 1 17 4569 1 1 3 ILE CG1 C -7.323 3.238 2.219 1.00 . A A . 3 ILE CG1 1 1 17 4570 1 1 3 ILE CG2 C -7.489 5.582 0.931 1.00 . A A . 3 ILE CG2 1 1 17 4571 1 1 3 ILE H H -7.611 1.814 -0.700 1.00 . A A . 3 ILE H 1 1 17 4572 1 1 3 ILE HA H -6.371 4.422 -1.115 1.00 . A A . 3 ILE HA 1 1 17 4573 1 1 3 ILE HB H -5.741 4.519 1.369 1.00 . A A . 3 ILE HB 1 1 17 4574 1 1 3 ILE HD11 H -9.370 3.140 1.447 1.00 . A A . 3 ILE HD11 1 1 17 4575 1 1 3 ILE HD12 H -8.654 1.561 1.764 1.00 . A A . 3 ILE HD12 1 1 17 4576 1 1 3 ILE HD13 H -9.209 2.565 3.105 1.00 . A A . 3 ILE HD13 1 1 17 4577 1 1 3 ILE HG21 H -7.122 6.127 0.074 1.00 . A A . 3 ILE HG21 1 1 17 4578 1 1 3 ILE HG22 H -8.548 5.396 0.814 1.00 . A A . 3 ILE HG22 1 1 17 4579 1 1 3 ILE HG23 H -7.324 6.163 1.826 1.00 . A A . 3 ILE HG23 1 1 17 4580 1 1 3 ILE N N -7.601 2.762 -0.965 1.00 . A A . 3 ILE N 1 1 17 4581 1 1 3 ILE O O -5.088 1.642 0.032 1.00 . A A . 3 ILE O 1 1 17 4582 1 1 4 PHE C C -1.705 3.376 -0.408 1.00 . A A . 4 PHE C 1 1 17 4583 1 1 4 PHE CA C -2.759 2.888 -1.439 1.00 . A A . 4 PHE CA 1 1 17 4584 1 1 4 PHE CB C -2.330 3.275 -2.894 1.00 . A A . 4 PHE CB 1 1 17 4585 1 1 4 PHE CD1 C -3.758 1.899 -4.721 1.00 . A A . 4 PHE CD1 1 1 17 4586 1 1 4 PHE CD2 C -1.185 1.427 -4.415 1.00 . A A . 4 PHE CD2 1 1 17 4587 1 1 4 PHE CE1 C -3.819 0.867 -5.825 1.00 . A A . 4 PHE CE1 1 1 17 4588 1 1 4 PHE CE2 C -1.248 0.400 -5.530 1.00 . A A . 4 PHE CE2 1 1 17 4589 1 1 4 PHE CG C -2.432 2.196 -3.985 1.00 . A A . 4 PHE CG 1 1 17 4590 1 1 4 PHE CZ C -2.563 0.120 -6.233 1.00 . A A . 4 PHE CZ 1 1 17 4591 1 1 4 PHE H H -4.327 4.324 -1.564 1.00 . A A . 4 PHE H 1 1 17 4592 1 1 4 PHE HA H -2.824 1.812 -1.377 1.00 . A A . 4 PHE HA 1 1 17 4593 1 1 4 PHE HB2 H -2.942 4.098 -3.215 1.00 . A A . 4 PHE HB2 1 1 17 4594 1 1 4 PHE HB3 H -1.302 3.605 -2.863 1.00 . A A . 4 PHE HB3 1 1 17 4595 1 1 4 PHE HD1 H -4.655 2.424 -4.428 1.00 . A A . 4 PHE HD1 1 1 17 4596 1 1 4 PHE HD2 H -0.249 1.617 -3.915 1.00 . A A . 4 PHE HD2 1 1 17 4597 1 1 4 PHE HE1 H -4.757 0.661 -6.318 1.00 . A A . 4 PHE HE1 1 1 17 4598 1 1 4 PHE HE2 H -0.358 -0.135 -5.820 1.00 . A A . 4 PHE HE2 1 1 17 4599 1 1 4 PHE HZ H -2.605 -0.612 -7.026 1.00 . A A . 4 PHE HZ 1 1 17 4600 1 1 4 PHE N N -4.130 3.438 -1.181 1.00 . A A . 4 PHE N 1 1 17 4601 1 1 4 PHE O O -1.783 4.552 0.061 1.00 . A A . 4 PHE O 1 1 17 4602 1 1 5 VAL C C 1.732 1.988 0.349 1.00 . A A . 5 VAL C 1 1 17 4603 1 1 5 VAL CA C 0.419 2.638 0.883 1.00 . A A . 5 VAL CA 1 1 17 4604 1 1 5 VAL CB C 0.133 2.192 2.409 1.00 . A A . 5 VAL CB 1 1 17 4605 1 1 5 VAL CG1 C -0.669 3.266 3.135 1.00 . A A . 5 VAL CG1 1 1 17 4606 1 1 5 VAL CG2 C -0.567 0.809 2.614 1.00 . A A . 5 VAL CG2 1 1 17 4607 1 1 5 VAL H H -0.781 1.552 -0.523 1.00 . A A . 5 VAL H 1 1 17 4608 1 1 5 VAL HA H 0.596 3.709 0.893 1.00 . A A . 5 VAL HA 1 1 17 4609 1 1 5 VAL HB H 1.097 2.141 2.902 1.00 . A A . 5 VAL HB 1 1 17 4610 1 1 5 VAL HG11 H -0.131 4.202 3.101 1.00 . A A . 5 VAL HG11 1 1 17 4611 1 1 5 VAL HG12 H -1.629 3.385 2.655 1.00 . A A . 5 VAL HG12 1 1 17 4612 1 1 5 VAL HG13 H -0.815 2.971 4.163 1.00 . A A . 5 VAL HG13 1 1 17 4613 1 1 5 VAL HG21 H -0.005 0.042 2.102 1.00 . A A . 5 VAL HG21 1 1 17 4614 1 1 5 VAL HG22 H -0.612 0.580 3.667 1.00 . A A . 5 VAL HG22 1 1 17 4615 1 1 5 VAL HG23 H -1.569 0.851 2.212 1.00 . A A . 5 VAL HG23 1 1 17 4616 1 1 5 VAL N N -0.730 2.432 -0.086 1.00 . A A . 5 VAL N 1 1 17 4617 1 1 5 VAL O O 1.687 0.810 -0.117 1.00 . A A . 5 VAL O 1 1 17 4618 1 1 6 LYS C C 5.300 2.566 1.112 1.00 . A A . 6 LYS C 1 1 17 4619 1 1 6 LYS CA C 4.241 2.412 -0.020 1.00 . A A . 6 LYS CA 1 1 17 4620 1 1 6 LYS CB C 4.634 3.249 -1.264 1.00 . A A . 6 LYS CB 1 1 17 4621 1 1 6 LYS CD C 5.173 3.167 -3.747 1.00 . A A . 6 LYS CD 1 1 17 4622 1 1 6 LYS CE C 6.139 2.586 -4.770 1.00 . A A . 6 LYS CE 1 1 17 4623 1 1 6 LYS CG C 5.259 2.438 -2.407 1.00 . A A . 6 LYS CG 1 1 17 4624 1 1 6 LYS H H 2.759 3.697 0.811 1.00 . A A . 6 LYS H 1 1 17 4625 1 1 6 LYS HA H 4.200 1.368 -0.298 1.00 . A A . 6 LYS HA 1 1 17 4626 1 1 6 LYS HB2 H 3.746 3.739 -1.638 1.00 . A A . 6 LYS HB2 1 1 17 4627 1 1 6 LYS HB3 H 5.344 4.004 -0.959 1.00 . A A . 6 LYS HB3 1 1 17 4628 1 1 6 LYS HD2 H 4.167 3.074 -4.129 1.00 . A A . 6 LYS HD2 1 1 17 4629 1 1 6 LYS HD3 H 5.408 4.211 -3.596 1.00 . A A . 6 LYS HD3 1 1 17 4630 1 1 6 LYS HE2 H 7.145 2.868 -4.496 1.00 . A A . 6 LYS HE2 1 1 17 4631 1 1 6 LYS HE3 H 6.052 1.510 -4.758 1.00 . A A . 6 LYS HE3 1 1 17 4632 1 1 6 LYS HG2 H 6.298 2.257 -2.173 1.00 . A A . 6 LYS HG2 1 1 17 4633 1 1 6 LYS HG3 H 4.739 1.494 -2.488 1.00 . A A . 6 LYS HG3 1 1 17 4634 1 1 6 LYS HZ1 H 5.892 4.120 -6.166 1.00 . A A . 6 LYS HZ1 1 1 17 4635 1 1 6 LYS HZ2 H 6.562 2.706 -6.812 1.00 . A A . 6 LYS HZ2 1 1 17 4636 1 1 6 LYS HZ3 H 4.911 2.772 -6.449 1.00 . A A . 6 LYS HZ3 1 1 17 4637 1 1 6 LYS N N 2.864 2.795 0.432 1.00 . A A . 6 LYS N 1 1 17 4638 1 1 6 LYS NZ N 5.857 3.081 -6.146 1.00 . A A . 6 LYS NZ 1 1 17 4639 1 1 6 LYS O O 5.206 3.525 1.938 1.00 . A A . 6 LYS O 1 1 17 4640 1 1 7 THR C C 8.801 1.882 1.418 1.00 . A A . 7 THR C 1 1 17 4641 1 1 7 THR CA C 7.447 1.486 2.081 1.00 . A A . 7 THR CA 1 1 17 4642 1 1 7 THR CB C 7.589 0.055 2.722 1.00 . A A . 7 THR CB 1 1 17 4643 1 1 7 THR CG2 C 6.587 -0.176 3.858 1.00 . A A . 7 THR CG2 1 1 17 4644 1 1 7 THR H H 6.251 0.897 0.407 1.00 . A A . 7 THR H 1 1 17 4645 1 1 7 THR HA H 7.251 2.188 2.880 1.00 . A A . 7 THR HA 1 1 17 4646 1 1 7 THR HB H 8.584 -0.017 3.137 1.00 . A A . 7 THR HB 1 1 17 4647 1 1 7 THR HG1 H 8.084 -1.666 1.896 1.00 . A A . 7 THR HG1 1 1 17 4648 1 1 7 THR HG21 H 5.650 0.305 3.617 1.00 . A A . 7 THR HG21 1 1 17 4649 1 1 7 THR HG22 H 6.424 -1.237 3.981 1.00 . A A . 7 THR HG22 1 1 17 4650 1 1 7 THR HG23 H 6.980 0.237 4.775 1.00 . A A . 7 THR HG23 1 1 17 4651 1 1 7 THR N N 6.295 1.587 1.106 1.00 . A A . 7 THR N 1 1 17 4652 1 1 7 THR O O 9.005 1.606 0.199 1.00 . A A . 7 THR O 1 1 17 4653 1 1 7 THR OG1 O 7.440 -0.972 1.734 1.00 . A A . 7 THR OG1 1 1 17 4654 1 1 8 LEU C C 12.131 1.885 1.551 1.00 . A A . 8 LEU C 1 1 17 4655 1 1 8 LEU CA C 11.100 3.028 1.889 1.00 . A A . 8 LEU CA 1 1 17 4656 1 1 8 LEU CB C 11.670 3.969 3.069 1.00 . A A . 8 LEU CB 1 1 17 4657 1 1 8 LEU CD1 C 11.839 6.439 2.040 1.00 . A A . 8 LEU CD1 1 1 17 4658 1 1 8 LEU CD2 C 9.839 5.865 3.504 1.00 . A A . 8 LEU CD2 1 1 17 4659 1 1 8 LEU CG C 11.329 5.548 3.201 1.00 . A A . 8 LEU CG 1 1 17 4660 1 1 8 LEU H H 9.427 2.682 3.197 1.00 . A A . 8 LEU H 1 1 17 4661 1 1 8 LEU HA H 10.985 3.638 1.006 1.00 . A A . 8 LEU HA 1 1 17 4662 1 1 8 LEU HB2 H 11.356 3.519 3.995 1.00 . A A . 8 LEU HB2 1 1 17 4663 1 1 8 LEU HB3 H 12.749 3.884 3.030 1.00 . A A . 8 LEU HB3 1 1 17 4664 1 1 8 LEU HD11 H 11.418 6.092 1.107 1.00 . A A . 8 LEU HD11 1 1 17 4665 1 1 8 LEU HD12 H 11.538 7.462 2.210 1.00 . A A . 8 LEU HD12 1 1 17 4666 1 1 8 LEU HD13 H 12.917 6.383 1.989 1.00 . A A . 8 LEU HD13 1 1 17 4667 1 1 8 LEU HD21 H 9.219 5.465 2.714 1.00 . A A . 8 LEU HD21 1 1 17 4668 1 1 8 LEU HD22 H 9.560 5.417 4.445 1.00 . A A . 8 LEU HD22 1 1 17 4669 1 1 8 LEU HD23 H 9.702 6.935 3.561 1.00 . A A . 8 LEU HD23 1 1 17 4670 1 1 8 LEU HG H 11.879 5.892 4.068 1.00 . A A . 8 LEU HG 1 1 17 4671 1 1 8 LEU N N 9.713 2.532 2.265 1.00 . A A . 8 LEU N 1 1 17 4672 1 1 8 LEU O O 13.140 2.173 0.838 1.00 . A A . 8 LEU O 1 1 17 4673 1 1 9 ASP C C 12.593 -1.218 0.408 1.00 . A A . 9 ASP C 1 1 17 4674 1 1 9 ASP CA C 12.674 -0.644 1.857 1.00 . A A . 9 ASP CA 1 1 17 4675 1 1 9 ASP CB C 12.283 -1.731 2.891 1.00 . A A . 9 ASP CB 1 1 17 4676 1 1 9 ASP CG C 13.483 -2.326 3.620 1.00 . A A . 9 ASP CG 1 1 17 4677 1 1 9 ASP H H 11.011 0.512 2.577 1.00 . A A . 9 ASP H 1 1 17 4678 1 1 9 ASP HA H 13.700 -0.363 2.040 1.00 . A A . 9 ASP HA 1 1 17 4679 1 1 9 ASP HB2 H 11.625 -1.295 3.627 1.00 . A A . 9 ASP HB2 1 1 17 4680 1 1 9 ASP HB3 H 11.763 -2.529 2.381 1.00 . A A . 9 ASP HB3 1 1 17 4681 1 1 9 ASP N N 11.838 0.606 2.057 1.00 . A A . 9 ASP N 1 1 17 4682 1 1 9 ASP O O 13.653 -1.681 -0.097 1.00 . A A . 9 ASP O 1 1 17 4683 1 1 9 ASP OD1 O 13.860 -1.792 4.687 1.00 . A A . 9 ASP OD1 1 1 17 4684 1 1 9 ASP OD2 O 14.038 -3.338 3.131 1.00 . A A . 9 ASP OD2 1 1 17 4685 1 1 10 GLY C C 9.958 -2.692 -1.680 1.00 . A A . 10 GLY C 1 1 17 4686 1 1 10 GLY CA C 11.056 -1.631 -1.604 1.00 . A A . 10 GLY CA 1 1 17 4687 1 1 10 GLY H H 10.597 -0.756 0.287 1.00 . A A . 10 GLY H 1 1 17 4688 1 1 10 GLY HA2 H 11.964 -2.042 -2.020 1.00 . A A . 10 GLY HA2 1 1 17 4689 1 1 10 GLY HA3 H 10.754 -0.785 -2.204 1.00 . A A . 10 GLY HA3 1 1 17 4690 1 1 10 GLY N N 11.340 -1.155 -0.220 1.00 . A A . 10 GLY N 1 1 17 4691 1 1 10 GLY O O 10.211 -3.760 -2.295 1.00 . A A . 10 GLY O 1 1 17 4692 1 1 11 LYS C C 6.228 -2.403 -1.281 1.00 . A A . 11 LYS C 1 1 17 4693 1 1 11 LYS CA C 7.517 -3.230 -1.003 1.00 . A A . 11 LYS CA 1 1 17 4694 1 1 11 LYS CB C 7.404 -3.953 0.372 1.00 . A A . 11 LYS CB 1 1 17 4695 1 1 11 LYS CD C 9.020 -5.786 1.266 1.00 . A A . 11 LYS CD 1 1 17 4696 1 1 11 LYS CE C 8.676 -6.729 2.429 1.00 . A A . 11 LYS CE 1 1 17 4697 1 1 11 LYS CG C 7.801 -5.452 0.361 1.00 . A A . 11 LYS CG 1 1 17 4698 1 1 11 LYS H H 8.688 -1.487 -0.617 1.00 . A A . 11 LYS H 1 1 17 4699 1 1 11 LYS HA H 7.614 -3.971 -1.784 1.00 . A A . 11 LYS HA 1 1 17 4700 1 1 11 LYS HB2 H 8.031 -3.432 1.081 1.00 . A A . 11 LYS HB2 1 1 17 4701 1 1 11 LYS HB3 H 6.380 -3.883 0.710 1.00 . A A . 11 LYS HB3 1 1 17 4702 1 1 11 LYS HD2 H 9.773 -6.263 0.660 1.00 . A A . 11 LYS HD2 1 1 17 4703 1 1 11 LYS HD3 H 9.427 -4.869 1.674 1.00 . A A . 11 LYS HD3 1 1 17 4704 1 1 11 LYS HE2 H 9.353 -6.529 3.247 1.00 . A A . 11 LYS HE2 1 1 17 4705 1 1 11 LYS HE3 H 7.661 -6.535 2.750 1.00 . A A . 11 LYS HE3 1 1 17 4706 1 1 11 LYS HG2 H 6.946 -6.025 0.690 1.00 . A A . 11 LYS HG2 1 1 17 4707 1 1 11 LYS HG3 H 8.040 -5.742 -0.655 1.00 . A A . 11 LYS HG3 1 1 17 4708 1 1 11 LYS HZ1 H 8.210 -8.358 1.207 1.00 . A A . 11 LYS HZ1 1 1 17 4709 1 1 11 LYS HZ2 H 9.789 -8.387 1.815 1.00 . A A . 11 LYS HZ2 1 1 17 4710 1 1 11 LYS HZ3 H 8.487 -8.772 2.823 1.00 . A A . 11 LYS HZ3 1 1 17 4711 1 1 11 LYS N N 8.750 -2.364 -1.056 1.00 . A A . 11 LYS N 1 1 17 4712 1 1 11 LYS NZ N 8.800 -8.162 2.042 1.00 . A A . 11 LYS NZ 1 1 17 4713 1 1 11 LYS O O 6.138 -1.214 -0.836 1.00 . A A . 11 LYS O 1 1 17 4714 1 1 12 THR C C 2.766 -3.471 -2.045 1.00 . A A . 12 THR C 1 1 17 4715 1 1 12 THR CA C 3.916 -2.493 -2.408 1.00 . A A . 12 THR CA 1 1 17 4716 1 1 12 THR CB C 3.824 -2.067 -3.925 1.00 . A A . 12 THR CB 1 1 17 4717 1 1 12 THR CG2 C 4.496 -0.715 -4.184 1.00 . A A . 12 THR CG2 1 1 17 4718 1 1 12 THR H H 5.436 -3.992 -2.304 1.00 . A A . 12 THR H 1 1 17 4719 1 1 12 THR HA H 3.779 -1.601 -1.809 1.00 . A A . 12 THR HA 1 1 17 4720 1 1 12 THR HB H 2.778 -1.971 -4.175 1.00 . A A . 12 THR HB 1 1 17 4721 1 1 12 THR HG1 H 5.323 -3.204 -4.534 1.00 . A A . 12 THR HG1 1 1 17 4722 1 1 12 THR HG21 H 4.158 0.001 -3.448 1.00 . A A . 12 THR HG21 1 1 17 4723 1 1 12 THR HG22 H 5.568 -0.825 -4.114 1.00 . A A . 12 THR HG22 1 1 17 4724 1 1 12 THR HG23 H 4.233 -0.366 -5.171 1.00 . A A . 12 THR HG23 1 1 17 4725 1 1 12 THR N N 5.249 -3.071 -2.017 1.00 . A A . 12 THR N 1 1 17 4726 1 1 12 THR O O 2.830 -4.689 -2.408 1.00 . A A . 12 THR O 1 1 17 4727 1 1 12 THR OG1 O 4.405 -3.064 -4.781 1.00 . A A . 12 THR OG1 1 1 17 4728 1 1 13 ILE C C -0.699 -2.607 -0.628 1.00 . A A . 13 ILE C 1 1 17 4729 1 1 13 ILE CA C 0.490 -3.603 -0.777 1.00 . A A . 13 ILE CA 1 1 17 4730 1 1 13 ILE CB C 0.673 -4.459 0.584 1.00 . A A . 13 ILE CB 1 1 17 4731 1 1 13 ILE CD1 C 0.764 -3.579 3.060 1.00 . A A . 13 ILE CD1 1 1 17 4732 1 1 13 ILE CG1 C 1.514 -3.748 1.743 1.00 . A A . 13 ILE CG1 1 1 17 4733 1 1 13 ILE CG2 C 1.272 -5.836 0.249 1.00 . A A . 13 ILE CG2 1 1 17 4734 1 1 13 ILE H H 1.822 -1.945 -1.060 1.00 . A A . 13 ILE H 1 1 17 4735 1 1 13 ILE HA H 0.206 -4.300 -1.557 1.00 . A A . 13 ILE HA 1 1 17 4736 1 1 13 ILE HB H -0.328 -4.650 0.953 1.00 . A A . 13 ILE HB 1 1 17 4737 1 1 13 ILE HD11 H 0.362 -4.535 3.363 1.00 . A A . 13 ILE HD11 1 1 17 4738 1 1 13 ILE HD12 H 1.443 -3.217 3.818 1.00 . A A . 13 ILE HD12 1 1 17 4739 1 1 13 ILE HD13 H -0.042 -2.873 2.929 1.00 . A A . 13 ILE HD13 1 1 17 4740 1 1 13 ILE HG12 H 2.410 -4.316 1.954 1.00 . A A . 13 ILE HG12 1 1 17 4741 1 1 13 ILE HG13 H 1.802 -2.763 1.403 1.00 . A A . 13 ILE HG13 1 1 17 4742 1 1 13 ILE HG21 H 2.219 -5.705 -0.251 1.00 . A A . 13 ILE HG21 1 1 17 4743 1 1 13 ILE HG22 H 1.420 -6.388 1.166 1.00 . A A . 13 ILE HG22 1 1 17 4744 1 1 13 ILE HG23 H 0.595 -6.377 -0.394 1.00 . A A . 13 ILE HG23 1 1 17 4745 1 1 13 ILE N N 1.737 -2.897 -1.292 1.00 . A A . 13 ILE N 1 1 17 4746 1 1 13 ILE O O -0.489 -1.475 -0.098 1.00 . A A . 13 ILE O 1 1 17 4747 1 1 14 THR C C -3.969 -2.468 0.270 1.00 . A A . 14 THR C 1 1 17 4748 1 1 14 THR CA C -3.219 -2.300 -1.079 1.00 . A A . 14 THR CA 1 1 17 4749 1 1 14 THR CB C -4.216 -2.682 -2.241 1.00 . A A . 14 THR CB 1 1 17 4750 1 1 14 THR CG2 C -3.855 -2.052 -3.572 1.00 . A A . 14 THR CG2 1 1 17 4751 1 1 14 THR H H -1.952 -3.973 -1.497 1.00 . A A . 14 THR H 1 1 17 4752 1 1 14 THR HA H -2.968 -1.254 -1.193 1.00 . A A . 14 THR HA 1 1 17 4753 1 1 14 THR HB H -5.192 -2.301 -1.962 1.00 . A A . 14 THR HB 1 1 17 4754 1 1 14 THR HG1 H -5.162 -4.408 -2.069 1.00 . A A . 14 THR HG1 1 1 17 4755 1 1 14 THR HG21 H -3.342 -1.117 -3.408 1.00 . A A . 14 THR HG21 1 1 17 4756 1 1 14 THR HG22 H -3.221 -2.723 -4.129 1.00 . A A . 14 THR HG22 1 1 17 4757 1 1 14 THR HG23 H -4.766 -1.868 -4.128 1.00 . A A . 14 THR HG23 1 1 17 4758 1 1 14 THR N N -1.922 -3.072 -1.107 1.00 . A A . 14 THR N 1 1 17 4759 1 1 14 THR O O -3.988 -3.607 0.844 1.00 . A A . 14 THR O 1 1 17 4760 1 1 14 THR OG1 O -4.311 -4.106 -2.395 1.00 . A A . 14 THR OG1 1 1 17 4761 1 1 15 LEU C C -6.930 -1.100 1.461 1.00 . A A . 15 LEU C 1 1 17 4762 1 1 15 LEU CA C -5.451 -1.216 1.933 1.00 . A A . 15 LEU CA 1 1 17 4763 1 1 15 LEU CB C -4.976 -0.052 2.857 1.00 . A A . 15 LEU CB 1 1 17 4764 1 1 15 LEU CD1 C -3.720 -0.243 5.084 1.00 . A A . 15 LEU CD1 1 1 17 4765 1 1 15 LEU CD2 C -6.071 0.609 5.083 1.00 . A A . 15 LEU CD2 1 1 17 4766 1 1 15 LEU CG C -5.080 -0.336 4.395 1.00 . A A . 15 LEU CG 1 1 17 4767 1 1 15 LEU H H -4.551 -0.508 0.159 1.00 . A A . 15 LEU H 1 1 17 4768 1 1 15 LEU HA H -5.345 -2.155 2.465 1.00 . A A . 15 LEU HA 1 1 17 4769 1 1 15 LEU HB2 H -3.946 0.167 2.600 1.00 . A A . 15 LEU HB2 1 1 17 4770 1 1 15 LEU HB3 H -5.570 0.820 2.616 1.00 . A A . 15 LEU HB3 1 1 17 4771 1 1 15 LEU HD11 H -3.280 0.723 4.884 1.00 . A A . 15 LEU HD11 1 1 17 4772 1 1 15 LEU HD12 H -3.847 -0.366 6.150 1.00 . A A . 15 LEU HD12 1 1 17 4773 1 1 15 LEU HD13 H -3.071 -1.020 4.707 1.00 . A A . 15 LEU HD13 1 1 17 4774 1 1 15 LEU HD21 H -7.034 0.535 4.600 1.00 . A A . 15 LEU HD21 1 1 17 4775 1 1 15 LEU HD22 H -6.166 0.333 6.124 1.00 . A A . 15 LEU HD22 1 1 17 4776 1 1 15 LEU HD23 H -5.710 1.623 5.012 1.00 . A A . 15 LEU HD23 1 1 17 4777 1 1 15 LEU HG H -5.442 -1.345 4.540 1.00 . A A . 15 LEU HG 1 1 17 4778 1 1 15 LEU N N -4.617 -1.314 0.716 1.00 . A A . 15 LEU N 1 1 17 4779 1 1 15 LEU O O -7.321 -0.075 0.804 1.00 . A A . 15 LEU O 1 1 17 4780 1 1 16 GLU C C -10.033 -2.860 2.515 1.00 . A A . 16 GLU C 1 1 17 4781 1 1 16 GLU CA C -9.137 -2.414 1.328 1.00 . A A . 16 GLU CA 1 1 17 4782 1 1 16 GLU CB C -9.226 -3.431 0.160 1.00 . A A . 16 GLU CB 1 1 17 4783 1 1 16 GLU CD C -9.787 -3.632 -2.331 1.00 . A A . 16 GLU CD 1 1 17 4784 1 1 16 GLU CG C -9.123 -2.800 -1.236 1.00 . A A . 16 GLU CG 1 1 17 4785 1 1 16 GLU H H -7.274 -2.985 2.187 1.00 . A A . 16 GLU H 1 1 17 4786 1 1 16 GLU HA H -9.493 -1.455 0.978 1.00 . A A . 16 GLU HA 1 1 17 4787 1 1 16 GLU HB2 H -8.420 -4.143 0.260 1.00 . A A . 16 GLU HB2 1 1 17 4788 1 1 16 GLU HB3 H -10.168 -3.956 0.225 1.00 . A A . 16 GLU HB3 1 1 17 4789 1 1 16 GLU HG2 H -9.597 -1.830 -1.213 1.00 . A A . 16 GLU HG2 1 1 17 4790 1 1 16 GLU HG3 H -8.077 -2.676 -1.485 1.00 . A A . 16 GLU HG3 1 1 17 4791 1 1 16 GLU N N -7.706 -2.228 1.731 1.00 . A A . 16 GLU N 1 1 17 4792 1 1 16 GLU O O -9.570 -3.661 3.387 1.00 . A A . 16 GLU O 1 1 17 4793 1 1 16 GLU OE1 O -10.993 -3.421 -2.595 1.00 . A A . 16 GLU OE1 1 1 17 4794 1 1 16 GLU OE2 O -9.095 -4.484 -2.936 1.00 . A A . 16 GLU OE2 1 1 17 4795 1 1 17 VAL C C -13.424 -3.622 3.061 1.00 . A A . 17 VAL C 1 1 17 4796 1 1 17 VAL CA C -12.390 -2.574 3.553 1.00 . A A . 17 VAL CA 1 1 17 4797 1 1 17 VAL CB C -13.132 -1.263 4.132 1.00 . A A . 17 VAL CB 1 1 17 4798 1 1 17 VAL CG1 C -12.268 -0.582 5.189 1.00 . A A . 17 VAL CG1 1 1 17 4799 1 1 17 VAL CG2 C -13.587 -0.196 3.083 1.00 . A A . 17 VAL CG2 1 1 17 4800 1 1 17 VAL H H -11.552 -1.699 1.782 1.00 . A A . 17 VAL H 1 1 17 4801 1 1 17 VAL HA H -11.873 -3.035 4.389 1.00 . A A . 17 VAL HA 1 1 17 4802 1 1 17 VAL HB H -14.021 -1.613 4.642 1.00 . A A . 17 VAL HB 1 1 17 4803 1 1 17 VAL HG11 H -12.020 -1.293 5.963 1.00 . A A . 17 VAL HG11 1 1 17 4804 1 1 17 VAL HG12 H -11.360 -0.215 4.732 1.00 . A A . 17 VAL HG12 1 1 17 4805 1 1 17 VAL HG13 H -12.812 0.245 5.621 1.00 . A A . 17 VAL HG13 1 1 17 4806 1 1 17 VAL HG21 H -14.151 -0.680 2.299 1.00 . A A . 17 VAL HG21 1 1 17 4807 1 1 17 VAL HG22 H -14.205 0.545 3.569 1.00 . A A . 17 VAL HG22 1 1 17 4808 1 1 17 VAL HG23 H -12.718 0.284 2.657 1.00 . A A . 17 VAL HG23 1 1 17 4809 1 1 17 VAL N N -11.315 -2.310 2.515 1.00 . A A . 17 VAL N 1 1 17 4810 1 1 17 VAL O O -13.766 -4.521 3.857 1.00 . A A . 17 VAL O 1 1 17 4811 1 1 17 VAL OXT O -13.877 -3.531 1.892 1.00 . A A . 17 VAL OXT 1 1 18 4812 1 1 1 MET C C -11.725 1.197 -1.295 1.00 . A A . 1 MET C 1 1 18 4813 1 1 1 MET CA C -13.159 1.749 -1.046 1.00 . A A . 1 MET CA 1 1 18 4814 1 1 1 MET CB C -13.257 2.435 0.343 1.00 . A A . 1 MET CB 1 1 18 4815 1 1 1 MET CE C -15.578 5.222 0.884 1.00 . A A . 1 MET CE 1 1 18 4816 1 1 1 MET CG C -13.154 3.965 0.320 1.00 . A A . 1 MET CG 1 1 18 4817 1 1 1 MET H1 H -14.143 0.185 -2.029 1.00 . A A . 1 MET H1 1 1 18 4818 1 1 1 MET H2 H -14.043 -0.016 -0.352 1.00 . A A . 1 MET H2 1 1 18 4819 1 1 1 MET H3 H -15.144 1.087 -1.008 1.00 . A A . 1 MET H3 1 1 18 4820 1 1 1 MET HA H -13.384 2.474 -1.815 1.00 . A A . 1 MET HA 1 1 18 4821 1 1 1 MET HB2 H -14.207 2.178 0.787 1.00 . A A . 1 MET HB2 1 1 18 4822 1 1 1 MET HB3 H -12.463 2.055 0.972 1.00 . A A . 1 MET HB3 1 1 18 4823 1 1 1 MET HE1 H -15.981 4.366 0.359 1.00 . A A . 1 MET HE1 1 1 18 4824 1 1 1 MET HE2 H -16.286 5.556 1.627 1.00 . A A . 1 MET HE2 1 1 18 4825 1 1 1 MET HE3 H -15.388 6.020 0.180 1.00 . A A . 1 MET HE3 1 1 18 4826 1 1 1 MET HG2 H -12.110 4.241 0.388 1.00 . A A . 1 MET HG2 1 1 18 4827 1 1 1 MET HG3 H -13.559 4.328 -0.614 1.00 . A A . 1 MET HG3 1 1 18 4828 1 1 1 MET N N -14.195 0.676 -1.114 1.00 . A A . 1 MET N 1 1 18 4829 1 1 1 MET O O -11.397 0.056 -0.833 1.00 . A A . 1 MET O 1 1 18 4830 1 1 1 MET SD S -14.043 4.751 1.684 1.00 . A A . 1 MET SD 1 1 18 4831 1 1 2 GLN C C -8.587 3.003 -1.951 1.00 . A A . 2 GLN C 1 1 18 4832 1 1 2 GLN CA C -9.471 1.798 -2.364 1.00 . A A . 2 GLN CA 1 1 18 4833 1 1 2 GLN CB C -9.301 1.454 -3.869 1.00 . A A . 2 GLN CB 1 1 18 4834 1 1 2 GLN CD C -9.669 -0.327 -5.668 1.00 . A A . 2 GLN CD 1 1 18 4835 1 1 2 GLN CG C -9.397 -0.038 -4.189 1.00 . A A . 2 GLN CG 1 1 18 4836 1 1 2 GLN H H -11.268 2.923 -2.300 1.00 . A A . 2 GLN H 1 1 18 4837 1 1 2 GLN HA H -9.156 0.945 -1.775 1.00 . A A . 2 GLN HA 1 1 18 4838 1 1 2 GLN HB2 H -10.062 1.969 -4.433 1.00 . A A . 2 GLN HB2 1 1 18 4839 1 1 2 GLN HB3 H -8.330 1.801 -4.192 1.00 . A A . 2 GLN HB3 1 1 18 4840 1 1 2 GLN HE21 H -7.705 -0.449 -6.081 1.00 . A A . 2 GLN HE21 1 1 18 4841 1 1 2 GLN HE22 H -8.775 -0.694 -7.416 1.00 . A A . 2 GLN HE22 1 1 18 4842 1 1 2 GLN HG2 H -8.462 -0.509 -3.918 1.00 . A A . 2 GLN HG2 1 1 18 4843 1 1 2 GLN HG3 H -10.196 -0.466 -3.602 1.00 . A A . 2 GLN HG3 1 1 18 4844 1 1 2 GLN N N -10.896 2.058 -2.013 1.00 . A A . 2 GLN N 1 1 18 4845 1 1 2 GLN NE2 N -8.607 -0.508 -6.468 1.00 . A A . 2 GLN NE2 1 1 18 4846 1 1 2 GLN O O -8.919 4.190 -2.285 1.00 . A A . 2 GLN O 1 1 18 4847 1 1 2 GLN OE1 O -10.827 -0.403 -6.092 1.00 . A A . 2 GLN OE1 1 1 18 4848 1 1 3 ILE C C -5.059 2.900 -0.612 1.00 . A A . 3 ILE C 1 1 18 4849 1 1 3 ILE CA C -6.440 3.607 -0.638 1.00 . A A . 3 ILE CA 1 1 18 4850 1 1 3 ILE CB C -6.803 4.309 0.778 1.00 . A A . 3 ILE CB 1 1 18 4851 1 1 3 ILE CD1 C -6.725 3.203 3.160 1.00 . A A . 3 ILE CD1 1 1 18 4852 1 1 3 ILE CG1 C -7.486 3.352 1.853 1.00 . A A . 3 ILE CG1 1 1 18 4853 1 1 3 ILE CG2 C -7.681 5.546 0.518 1.00 . A A . 3 ILE CG2 1 1 18 4854 1 1 3 ILE H H -7.341 1.704 -0.987 1.00 . A A . 3 ILE H 1 1 18 4855 1 1 3 ILE HA H -6.353 4.399 -1.376 1.00 . A A . 3 ILE HA 1 1 18 4856 1 1 3 ILE HB H -5.869 4.678 1.182 1.00 . A A . 3 ILE HB 1 1 18 4857 1 1 3 ILE HD11 H -6.378 4.172 3.486 1.00 . A A . 3 ILE HD11 1 1 18 4858 1 1 3 ILE HD12 H -7.385 2.787 3.907 1.00 . A A . 3 ILE HD12 1 1 18 4859 1 1 3 ILE HD13 H -5.882 2.546 3.014 1.00 . A A . 3 ILE HD13 1 1 18 4860 1 1 3 ILE HG21 H -7.275 6.110 -0.309 1.00 . A A . 3 ILE HG21 1 1 18 4861 1 1 3 ILE HG22 H -8.686 5.230 0.279 1.00 . A A . 3 ILE HG22 1 1 18 4862 1 1 3 ILE HG23 H -7.700 6.166 1.403 1.00 . A A . 3 ILE HG23 1 1 18 4863 1 1 3 ILE N N -7.473 2.656 -1.193 1.00 . A A . 3 ILE N 1 1 18 4864 1 1 3 ILE O O -4.926 1.813 0.022 1.00 . A A . 3 ILE O 1 1 18 4865 1 1 4 PHE C C -1.677 3.608 -0.535 1.00 . A A . 4 PHE C 1 1 18 4866 1 1 4 PHE CA C -2.676 3.041 -1.578 1.00 . A A . 4 PHE CA 1 1 18 4867 1 1 4 PHE CB C -2.222 3.401 -3.032 1.00 . A A . 4 PHE CB 1 1 18 4868 1 1 4 PHE CD1 C -3.677 2.047 -4.855 1.00 . A A . 4 PHE CD1 1 1 18 4869 1 1 4 PHE CD2 C -1.119 1.510 -4.530 1.00 . A A . 4 PHE CD2 1 1 18 4870 1 1 4 PHE CE1 C -3.758 1.007 -5.949 1.00 . A A . 4 PHE CE1 1 1 18 4871 1 1 4 PHE CE2 C -1.203 0.476 -5.636 1.00 . A A . 4 PHE CE2 1 1 18 4872 1 1 4 PHE CG C -2.348 2.315 -4.114 1.00 . A A . 4 PHE CG 1 1 18 4873 1 1 4 PHE CZ C -2.521 0.223 -6.343 1.00 . A A . 4 PHE CZ 1 1 18 4874 1 1 4 PHE H H -4.336 4.352 -1.852 1.00 . A A . 4 PHE H 1 1 18 4875 1 1 4 PHE HA H -2.691 1.965 -1.483 1.00 . A A . 4 PHE HA 1 1 18 4876 1 1 4 PHE HB2 H -2.808 4.238 -3.367 1.00 . A A . 4 PHE HB2 1 1 18 4877 1 1 4 PHE HB3 H -1.186 3.701 -2.995 1.00 . A A . 4 PHE HB3 1 1 18 4878 1 1 4 PHE HD1 H -4.562 2.597 -4.572 1.00 . A A . 4 PHE HD1 1 1 18 4879 1 1 4 PHE HD2 H -0.181 1.681 -4.025 1.00 . A A . 4 PHE HD2 1 1 18 4880 1 1 4 PHE HE1 H -4.698 0.821 -6.447 1.00 . A A . 4 PHE HE1 1 1 18 4881 1 1 4 PHE HE2 H -0.324 -0.085 -5.916 1.00 . A A . 4 PHE HE2 1 1 18 4882 1 1 4 PHE HZ H -2.577 -0.514 -7.131 1.00 . A A . 4 PHE HZ 1 1 18 4883 1 1 4 PHE N N -4.081 3.528 -1.374 1.00 . A A . 4 PHE N 1 1 18 4884 1 1 4 PHE O O -1.813 4.796 -0.114 1.00 . A A . 4 PHE O 1 1 18 4885 1 1 5 VAL C C 1.760 2.288 0.392 1.00 . A A . 5 VAL C 1 1 18 4886 1 1 5 VAL CA C 0.441 2.993 0.834 1.00 . A A . 5 VAL CA 1 1 18 4887 1 1 5 VAL CB C 0.102 2.678 2.382 1.00 . A A . 5 VAL CB 1 1 18 4888 1 1 5 VAL CG1 C -0.714 3.813 2.990 1.00 . A A . 5 VAL CG1 1 1 18 4889 1 1 5 VAL CG2 C -0.617 1.321 2.677 1.00 . A A . 5 VAL CG2 1 1 18 4890 1 1 5 VAL H H -0.681 1.819 -0.563 1.00 . A A . 5 VAL H 1 1 18 4891 1 1 5 VAL HA H 0.629 4.060 0.760 1.00 . A A . 5 VAL HA 1 1 18 4892 1 1 5 VAL HB H 1.049 2.662 2.911 1.00 . A A . 5 VAL HB 1 1 18 4893 1 1 5 VAL HG11 H -0.181 4.744 2.869 1.00 . A A . 5 VAL HG11 1 1 18 4894 1 1 5 VAL HG12 H -1.668 3.877 2.488 1.00 . A A . 5 VAL HG12 1 1 18 4895 1 1 5 VAL HG13 H -0.872 3.621 4.041 1.00 . A A . 5 VAL HG13 1 1 18 4896 1 1 5 VAL HG21 H -0.031 0.509 2.272 1.00 . A A . 5 VAL HG21 1 1 18 4897 1 1 5 VAL HG22 H -0.722 1.194 3.745 1.00 . A A . 5 VAL HG22 1 1 18 4898 1 1 5 VAL HG23 H -1.593 1.324 2.217 1.00 . A A . 5 VAL HG23 1 1 18 4899 1 1 5 VAL N N -0.675 2.714 -0.154 1.00 . A A . 5 VAL N 1 1 18 4900 1 1 5 VAL O O 1.719 1.067 0.051 1.00 . A A . 5 VAL O 1 1 18 4901 1 1 6 LYS C C 5.294 2.789 1.181 1.00 . A A . 6 LYS C 1 1 18 4902 1 1 6 LYS CA C 4.272 2.667 0.007 1.00 . A A . 6 LYS CA 1 1 18 4903 1 1 6 LYS CB C 4.741 3.480 -1.229 1.00 . A A . 6 LYS CB 1 1 18 4904 1 1 6 LYS CD C 5.611 3.417 -3.629 1.00 . A A . 6 LYS CD 1 1 18 4905 1 1 6 LYS CE C 6.886 3.046 -4.382 1.00 . A A . 6 LYS CE 1 1 18 4906 1 1 6 LYS CG C 5.482 2.660 -2.299 1.00 . A A . 6 LYS CG 1 1 18 4907 1 1 6 LYS H H 2.785 4.035 0.679 1.00 . A A . 6 LYS H 1 1 18 4908 1 1 6 LYS HA H 4.207 1.622 -0.269 1.00 . A A . 6 LYS HA 1 1 18 4909 1 1 6 LYS HB2 H 3.875 3.926 -1.694 1.00 . A A . 6 LYS HB2 1 1 18 4910 1 1 6 LYS HB3 H 5.399 4.267 -0.893 1.00 . A A . 6 LYS HB3 1 1 18 4911 1 1 6 LYS HD2 H 4.763 3.169 -4.249 1.00 . A A . 6 LYS HD2 1 1 18 4912 1 1 6 LYS HD3 H 5.617 4.483 -3.441 1.00 . A A . 6 LYS HD3 1 1 18 4913 1 1 6 LYS HE2 H 7.730 3.491 -3.874 1.00 . A A . 6 LYS HE2 1 1 18 4914 1 1 6 LYS HE3 H 6.991 1.971 -4.377 1.00 . A A . 6 LYS HE3 1 1 18 4915 1 1 6 LYS HG2 H 6.468 2.425 -1.923 1.00 . A A . 6 LYS HG2 1 1 18 4916 1 1 6 LYS HG3 H 4.937 1.742 -2.470 1.00 . A A . 6 LYS HG3 1 1 18 4917 1 1 6 LYS HZ1 H 6.014 3.167 -6.276 1.00 . A A . 6 LYS HZ1 1 1 18 4918 1 1 6 LYS HZ2 H 6.843 4.566 -5.813 1.00 . A A . 6 LYS HZ2 1 1 18 4919 1 1 6 LYS HZ3 H 7.707 3.195 -6.297 1.00 . A A . 6 LYS HZ3 1 1 18 4920 1 1 6 LYS N N 2.893 3.099 0.401 1.00 . A A . 6 LYS N 1 1 18 4921 1 1 6 LYS NZ N 6.861 3.527 -5.790 1.00 . A A . 6 LYS NZ 1 1 18 4922 1 1 6 LYS O O 5.200 3.751 2.001 1.00 . A A . 6 LYS O 1 1 18 4923 1 1 7 THR C C 8.769 1.879 1.537 1.00 . A A . 7 THR C 1 1 18 4924 1 1 7 THR CA C 7.381 1.643 2.204 1.00 . A A . 7 THR CA 1 1 18 4925 1 1 7 THR CB C 7.389 0.246 2.929 1.00 . A A . 7 THR CB 1 1 18 4926 1 1 7 THR CG2 C 6.381 0.189 4.080 1.00 . A A . 7 THR CG2 1 1 18 4927 1 1 7 THR H H 6.219 1.100 0.497 1.00 . A A . 7 THR H 1 1 18 4928 1 1 7 THR HA H 7.238 2.407 2.954 1.00 . A A . 7 THR HA 1 1 18 4929 1 1 7 THR HB H 8.375 0.093 3.340 1.00 . A A . 7 THR HB 1 1 18 4930 1 1 7 THR HG1 H 7.948 -1.190 1.700 1.00 . A A . 7 THR HG1 1 1 18 4931 1 1 7 THR HG21 H 5.479 0.707 3.794 1.00 . A A . 7 THR HG21 1 1 18 4932 1 1 7 THR HG22 H 6.149 -0.844 4.301 1.00 . A A . 7 THR HG22 1 1 18 4933 1 1 7 THR HG23 H 6.806 0.657 4.954 1.00 . A A . 7 THR HG23 1 1 18 4934 1 1 7 THR N N 6.259 1.784 1.201 1.00 . A A . 7 THR N 1 1 18 4935 1 1 7 THR O O 8.965 1.496 0.344 1.00 . A A . 7 THR O 1 1 18 4936 1 1 7 THR OG1 O 7.120 -0.817 2.010 1.00 . A A . 7 THR OG1 1 1 18 4937 1 1 8 LEU C C 12.085 1.633 1.692 1.00 . A A . 8 LEU C 1 1 18 4938 1 1 8 LEU CA C 11.145 2.880 1.953 1.00 . A A . 8 LEU CA 1 1 18 4939 1 1 8 LEU CB C 11.753 3.823 3.030 1.00 . A A . 8 LEU CB 1 1 18 4940 1 1 8 LEU CD1 C 10.674 5.945 3.985 1.00 . A A . 8 LEU CD1 1 1 18 4941 1 1 8 LEU CD2 C 12.736 6.152 2.586 1.00 . A A . 8 LEU CD2 1 1 18 4942 1 1 8 LEU CG C 11.455 5.347 2.816 1.00 . A A . 8 LEU CG 1 1 18 4943 1 1 8 LEU H H 9.432 2.764 3.260 1.00 . A A . 8 LEU H 1 1 18 4944 1 1 8 LEU HA H 11.078 3.432 1.027 1.00 . A A . 8 LEU HA 1 1 18 4945 1 1 8 LEU HB2 H 11.366 3.512 3.994 1.00 . A A . 8 LEU HB2 1 1 18 4946 1 1 8 LEU HB3 H 12.824 3.670 3.036 1.00 . A A . 8 LEU HB3 1 1 18 4947 1 1 8 LEU HD11 H 9.823 5.318 4.206 1.00 . A A . 8 LEU HD11 1 1 18 4948 1 1 8 LEU HD12 H 11.313 6.004 4.853 1.00 . A A . 8 LEU HD12 1 1 18 4949 1 1 8 LEU HD13 H 10.333 6.935 3.720 1.00 . A A . 8 LEU HD13 1 1 18 4950 1 1 8 LEU HD21 H 13.421 5.981 3.403 1.00 . A A . 8 LEU HD21 1 1 18 4951 1 1 8 LEU HD22 H 13.194 5.840 1.659 1.00 . A A . 8 LEU HD22 1 1 18 4952 1 1 8 LEU HD23 H 12.495 7.204 2.531 1.00 . A A . 8 LEU HD23 1 1 18 4953 1 1 8 LEU HG H 10.839 5.462 1.933 1.00 . A A . 8 LEU HG 1 1 18 4954 1 1 8 LEU N N 9.717 2.521 2.348 1.00 . A A . 8 LEU N 1 1 18 4955 1 1 8 LEU O O 13.154 1.798 1.020 1.00 . A A . 8 LEU O 1 1 18 4956 1 1 9 ASP C C 12.346 -1.491 0.596 1.00 . A A . 9 ASP C 1 1 18 4957 1 1 9 ASP CA C 12.349 -0.939 2.058 1.00 . A A . 9 ASP CA 1 1 18 4958 1 1 9 ASP CB C 11.738 -1.984 3.028 1.00 . A A . 9 ASP CB 1 1 18 4959 1 1 9 ASP CG C 12.783 -2.889 3.672 1.00 . A A . 9 ASP CG 1 1 18 4960 1 1 9 ASP H H 10.778 0.397 2.670 1.00 . A A . 9 ASP H 1 1 18 4961 1 1 9 ASP HA H 13.378 -0.776 2.345 1.00 . A A . 9 ASP HA 1 1 18 4962 1 1 9 ASP HB2 H 11.210 -1.467 3.814 1.00 . A A . 9 ASP HB2 1 1 18 4963 1 1 9 ASP HB3 H 11.040 -2.603 2.482 1.00 . A A . 9 ASP HB3 1 1 18 4964 1 1 9 ASP N N 11.639 0.398 2.198 1.00 . A A . 9 ASP N 1 1 18 4965 1 1 9 ASP O O 13.385 -2.084 0.188 1.00 . A A . 9 ASP O 1 1 18 4966 1 1 9 ASP OD1 O 13.083 -3.959 3.094 1.00 . A A . 9 ASP OD1 1 1 18 4967 1 1 9 ASP OD2 O 13.291 -2.536 4.761 1.00 . A A . 9 ASP OD2 1 1 18 4968 1 1 10 GLY C C 9.902 -2.747 -1.752 1.00 . A A . 10 GLY C 1 1 18 4969 1 1 10 GLY CA C 10.979 -1.678 -1.569 1.00 . A A . 10 GLY CA 1 1 18 4970 1 1 10 GLY H H 10.452 -0.766 0.286 1.00 . A A . 10 GLY H 1 1 18 4971 1 1 10 GLY HA2 H 11.915 -2.059 -1.951 1.00 . A A . 10 GLY HA2 1 1 18 4972 1 1 10 GLY HA3 H 10.701 -0.811 -2.147 1.00 . A A . 10 GLY HA3 1 1 18 4973 1 1 10 GLY N N 11.182 -1.258 -0.153 1.00 . A A . 10 GLY N 1 1 18 4974 1 1 10 GLY O O 10.198 -3.771 -2.420 1.00 . A A . 10 GLY O 1 1 18 4975 1 1 11 LYS C C 6.129 -2.529 -1.311 1.00 . A A . 11 LYS C 1 1 18 4976 1 1 11 LYS CA C 7.437 -3.372 -1.215 1.00 . A A . 11 LYS CA 1 1 18 4977 1 1 11 LYS CB C 7.366 -4.460 -0.044 1.00 . A A . 11 LYS CB 1 1 18 4978 1 1 11 LYS CD C 8.132 -5.120 2.327 1.00 . A A . 11 LYS CD 1 1 18 4979 1 1 11 LYS CE C 7.810 -4.908 3.807 1.00 . A A . 11 LYS CE 1 1 18 4980 1 1 11 LYS CG C 7.587 -3.999 1.433 1.00 . A A . 11 LYS CG 1 1 18 4981 1 1 11 LYS H H 8.567 -1.630 -0.673 1.00 . A A . 11 LYS H 1 1 18 4982 1 1 11 LYS HA H 7.519 -3.912 -2.153 1.00 . A A . 11 LYS HA 1 1 18 4983 1 1 11 LYS HB2 H 6.393 -4.919 -0.081 1.00 . A A . 11 LYS HB2 1 1 18 4984 1 1 11 LYS HB3 H 8.101 -5.223 -0.266 1.00 . A A . 11 LYS HB3 1 1 18 4985 1 1 11 LYS HD2 H 7.703 -6.060 2.015 1.00 . A A . 11 LYS HD2 1 1 18 4986 1 1 11 LYS HD3 H 9.205 -5.161 2.209 1.00 . A A . 11 LYS HD3 1 1 18 4987 1 1 11 LYS HE2 H 8.598 -5.351 4.395 1.00 . A A . 11 LYS HE2 1 1 18 4988 1 1 11 LYS HE3 H 7.765 -3.847 4.014 1.00 . A A . 11 LYS HE3 1 1 18 4989 1 1 11 LYS HG2 H 8.292 -3.182 1.437 1.00 . A A . 11 LYS HG2 1 1 18 4990 1 1 11 LYS HG3 H 6.640 -3.657 1.829 1.00 . A A . 11 LYS HG3 1 1 18 4991 1 1 11 LYS HZ1 H 5.763 -5.236 3.537 1.00 . A A . 11 LYS HZ1 1 1 18 4992 1 1 11 LYS HZ2 H 6.593 -6.571 4.163 1.00 . A A . 11 LYS HZ2 1 1 18 4993 1 1 11 LYS HZ3 H 6.251 -5.246 5.158 1.00 . A A . 11 LYS HZ3 1 1 18 4994 1 1 11 LYS N N 8.663 -2.478 -1.161 1.00 . A A . 11 LYS N 1 1 18 4995 1 1 11 LYS NZ N 6.514 -5.534 4.194 1.00 . A A . 11 LYS NZ 1 1 18 4996 1 1 11 LYS O O 5.980 -1.541 -0.535 1.00 . A A . 11 LYS O 1 1 18 4997 1 1 12 THR C C 2.715 -3.274 -2.239 1.00 . A A . 12 THR C 1 1 18 4998 1 1 12 THR CA C 3.886 -2.306 -2.559 1.00 . A A . 12 THR CA 1 1 18 4999 1 1 12 THR CB C 3.750 -1.757 -4.030 1.00 . A A . 12 THR CB 1 1 18 5000 1 1 12 THR CG2 C 4.449 -0.406 -4.207 1.00 . A A . 12 THR CG2 1 1 18 5001 1 1 12 THR H H 5.455 -3.739 -2.818 1.00 . A A . 12 THR H 1 1 18 5002 1 1 12 THR HA H 3.802 -1.461 -1.886 1.00 . A A . 12 THR HA 1 1 18 5003 1 1 12 THR HB H 2.698 -1.615 -4.230 1.00 . A A . 12 THR HB 1 1 18 5004 1 1 12 THR HG1 H 3.631 -2.817 -5.694 1.00 . A A . 12 THR HG1 1 1 18 5005 1 1 12 THR HG21 H 4.106 0.280 -3.447 1.00 . A A . 12 THR HG21 1 1 18 5006 1 1 12 THR HG22 H 5.517 -0.539 -4.116 1.00 . A A . 12 THR HG22 1 1 18 5007 1 1 12 THR HG23 H 4.218 -0.006 -5.184 1.00 . A A . 12 THR HG23 1 1 18 5008 1 1 12 THR N N 5.218 -2.955 -2.276 1.00 . A A . 12 THR N 1 1 18 5009 1 1 12 THR O O 2.758 -4.478 -2.651 1.00 . A A . 12 THR O 1 1 18 5010 1 1 12 THR OG1 O 4.268 -2.696 -4.986 1.00 . A A . 12 THR OG1 1 1 18 5011 1 1 13 ILE C C -0.764 -2.435 -0.842 1.00 . A A . 13 ILE C 1 1 18 5012 1 1 13 ILE CA C 0.430 -3.424 -0.994 1.00 . A A . 13 ILE CA 1 1 18 5013 1 1 13 ILE CB C 0.587 -4.309 0.350 1.00 . A A . 13 ILE CB 1 1 18 5014 1 1 13 ILE CD1 C 0.592 -3.465 2.838 1.00 . A A . 13 ILE CD1 1 1 18 5015 1 1 13 ILE CG1 C 1.390 -3.616 1.548 1.00 . A A . 13 ILE CG1 1 1 18 5016 1 1 13 ILE CG2 C 1.210 -5.671 0.002 1.00 . A A . 13 ILE CG2 1 1 18 5017 1 1 13 ILE H H 1.788 -1.772 -1.200 1.00 . A A . 13 ILE H 1 1 18 5018 1 1 13 ILE HA H 0.159 -4.105 -1.793 1.00 . A A . 13 ILE HA 1 1 18 5019 1 1 13 ILE HB H -0.420 -4.519 0.688 1.00 . A A . 13 ILE HB 1 1 18 5020 1 1 13 ILE HD11 H 0.235 -4.436 3.149 1.00 . A A . 13 ILE HD11 1 1 18 5021 1 1 13 ILE HD12 H 1.226 -3.050 3.607 1.00 . A A . 13 ILE HD12 1 1 18 5022 1 1 13 ILE HD13 H -0.248 -2.809 2.668 1.00 . A A . 13 ILE HD13 1 1 18 5023 1 1 13 ILE HG12 H 2.277 -4.189 1.783 1.00 . A A . 13 ILE HG12 1 1 18 5024 1 1 13 ILE HG13 H 1.690 -2.628 1.233 1.00 . A A . 13 ILE HG13 1 1 18 5025 1 1 13 ILE HG21 H 2.176 -5.520 -0.457 1.00 . A A . 13 ILE HG21 1 1 18 5026 1 1 13 ILE HG22 H 1.327 -6.248 0.908 1.00 . A A . 13 ILE HG22 1 1 18 5027 1 1 13 ILE HG23 H 0.564 -6.200 -0.682 1.00 . A A . 13 ILE HG23 1 1 18 5028 1 1 13 ILE N N 1.691 -2.713 -1.470 1.00 . A A . 13 ILE N 1 1 18 5029 1 1 13 ILE O O -0.556 -1.301 -0.319 1.00 . A A . 13 ILE O 1 1 18 5030 1 1 14 THR C C -4.017 -2.325 0.111 1.00 . A A . 14 THR C 1 1 18 5031 1 1 14 THR CA C -3.294 -2.150 -1.254 1.00 . A A . 14 THR CA 1 1 18 5032 1 1 14 THR CB C -4.307 -2.544 -2.400 1.00 . A A . 14 THR CB 1 1 18 5033 1 1 14 THR CG2 C -3.960 -1.938 -3.748 1.00 . A A . 14 THR CG2 1 1 18 5034 1 1 14 THR H H -2.022 -3.818 -1.679 1.00 . A A . 14 THR H 1 1 18 5035 1 1 14 THR HA H -3.054 -1.103 -1.374 1.00 . A A . 14 THR HA 1 1 18 5036 1 1 14 THR HB H -5.276 -2.150 -2.116 1.00 . A A . 14 THR HB 1 1 18 5037 1 1 14 THR HG1 H -3.547 -4.340 -2.718 1.00 . A A . 14 THR HG1 1 1 18 5038 1 1 14 THR HG21 H -2.906 -1.707 -3.793 1.00 . A A . 14 THR HG21 1 1 18 5039 1 1 14 THR HG22 H -4.210 -2.641 -4.528 1.00 . A A . 14 THR HG22 1 1 18 5040 1 1 14 THR HG23 H -4.536 -1.032 -3.884 1.00 . A A . 14 THR HG23 1 1 18 5041 1 1 14 THR N N -1.992 -2.912 -1.300 1.00 . A A . 14 THR N 1 1 18 5042 1 1 14 THR O O -4.016 -3.465 0.684 1.00 . A A . 14 THR O 1 1 18 5043 1 1 14 THR OG1 O -4.413 -3.970 -2.532 1.00 . A A . 14 THR OG1 1 1 18 5044 1 1 15 LEU C C -6.944 -0.873 1.395 1.00 . A A . 15 LEU C 1 1 18 5045 1 1 15 LEU CA C -5.459 -1.083 1.817 1.00 . A A . 15 LEU CA 1 1 18 5046 1 1 15 LEU CB C -4.893 0.012 2.777 1.00 . A A . 15 LEU CB 1 1 18 5047 1 1 15 LEU CD1 C -3.237 -0.316 4.710 1.00 . A A . 15 LEU CD1 1 1 18 5048 1 1 15 LEU CD2 C -5.594 0.347 5.222 1.00 . A A . 15 LEU CD2 1 1 18 5049 1 1 15 LEU CG C -4.695 -0.439 4.265 1.00 . A A . 15 LEU CG 1 1 18 5050 1 1 15 LEU H H -4.604 -0.369 0.021 1.00 . A A . 15 LEU H 1 1 18 5051 1 1 15 LEU HA H -5.390 -2.050 2.305 1.00 . A A . 15 LEU HA 1 1 18 5052 1 1 15 LEU HB2 H -3.943 0.339 2.371 1.00 . A A . 15 LEU HB2 1 1 18 5053 1 1 15 LEU HB3 H -5.572 0.853 2.749 1.00 . A A . 15 LEU HB3 1 1 18 5054 1 1 15 LEU HD11 H -2.593 -0.721 3.945 1.00 . A A . 15 LEU HD11 1 1 18 5055 1 1 15 LEU HD12 H -2.997 0.724 4.870 1.00 . A A . 15 LEU HD12 1 1 18 5056 1 1 15 LEU HD13 H -3.095 -0.865 5.629 1.00 . A A . 15 LEU HD13 1 1 18 5057 1 1 15 LEU HD21 H -5.418 1.405 5.094 1.00 . A A . 15 LEU HD21 1 1 18 5058 1 1 15 LEU HD22 H -6.629 0.126 5.009 1.00 . A A . 15 LEU HD22 1 1 18 5059 1 1 15 LEU HD23 H -5.369 0.065 6.241 1.00 . A A . 15 LEU HD23 1 1 18 5060 1 1 15 LEU HG H -4.966 -1.483 4.351 1.00 . A A . 15 LEU HG 1 1 18 5061 1 1 15 LEU N N -4.656 -1.176 0.576 1.00 . A A . 15 LEU N 1 1 18 5062 1 1 15 LEU O O -7.316 0.218 0.836 1.00 . A A . 15 LEU O 1 1 18 5063 1 1 16 GLU C C -10.089 -2.543 2.414 1.00 . A A . 16 GLU C 1 1 18 5064 1 1 16 GLU CA C -9.197 -2.095 1.222 1.00 . A A . 16 GLU CA 1 1 18 5065 1 1 16 GLU CB C -9.353 -3.064 0.022 1.00 . A A . 16 GLU CB 1 1 18 5066 1 1 16 GLU CD C -9.984 -3.147 -2.457 1.00 . A A . 16 GLU CD 1 1 18 5067 1 1 16 GLU CG C -9.251 -2.390 -1.353 1.00 . A A . 16 GLU CG 1 1 18 5068 1 1 16 GLU H H -7.337 -2.797 1.978 1.00 . A A . 16 GLU H 1 1 18 5069 1 1 16 GLU HA H -9.516 -1.110 0.913 1.00 . A A . 16 GLU HA 1 1 18 5070 1 1 16 GLU HB2 H -8.576 -3.813 0.082 1.00 . A A . 16 GLU HB2 1 1 18 5071 1 1 16 GLU HB3 H -10.314 -3.550 0.090 1.00 . A A . 16 GLU HB3 1 1 18 5072 1 1 16 GLU HG2 H -9.672 -1.398 -1.285 1.00 . A A . 16 GLU HG2 1 1 18 5073 1 1 16 GLU HG3 H -8.205 -2.313 -1.624 1.00 . A A . 16 GLU HG3 1 1 18 5074 1 1 16 GLU N N -7.752 -1.991 1.598 1.00 . A A . 16 GLU N 1 1 18 5075 1 1 16 GLU O O -9.644 -3.396 3.246 1.00 . A A . 16 GLU O 1 1 18 5076 1 1 16 GLU OE1 O -11.185 -2.868 -2.680 1.00 . A A . 16 GLU OE1 1 1 18 5077 1 1 16 GLU OE2 O -9.352 -4.009 -3.112 1.00 . A A . 16 GLU OE2 1 1 18 5078 1 1 17 VAL C C -13.332 -3.380 3.042 1.00 . A A . 17 VAL C 1 1 18 5079 1 1 17 VAL CA C -12.399 -2.188 3.492 1.00 . A A . 17 VAL CA 1 1 18 5080 1 1 17 VAL CB C -13.132 -0.790 3.904 1.00 . A A . 17 VAL CB 1 1 18 5081 1 1 17 VAL CG1 C -14.089 -0.155 2.850 1.00 . A A . 17 VAL CG1 1 1 18 5082 1 1 17 VAL CG2 C -13.830 -0.863 5.279 1.00 . A A . 17 VAL CG2 1 1 18 5083 1 1 17 VAL H H -11.569 -1.293 1.750 1.00 . A A . 17 VAL H 1 1 18 5084 1 1 17 VAL HA H -11.865 -2.532 4.371 1.00 . A A . 17 VAL HA 1 1 18 5085 1 1 17 VAL HB H -12.330 -0.074 4.022 1.00 . A A . 17 VAL HB 1 1 18 5086 1 1 17 VAL HG11 H -13.554 -0.004 1.924 1.00 . A A . 17 VAL HG11 1 1 18 5087 1 1 17 VAL HG12 H -14.927 -0.815 2.681 1.00 . A A . 17 VAL HG12 1 1 18 5088 1 1 17 VAL HG13 H -14.449 0.795 3.216 1.00 . A A . 17 VAL HG13 1 1 18 5089 1 1 17 VAL HG21 H -13.115 -1.166 6.029 1.00 . A A . 17 VAL HG21 1 1 18 5090 1 1 17 VAL HG22 H -14.231 0.107 5.531 1.00 . A A . 17 VAL HG22 1 1 18 5091 1 1 17 VAL HG23 H -14.633 -1.585 5.236 1.00 . A A . 17 VAL HG23 1 1 18 5092 1 1 17 VAL N N -11.347 -1.939 2.456 1.00 . A A . 17 VAL N 1 1 18 5093 1 1 17 VAL O O -13.888 -3.313 1.924 1.00 . A A . 17 VAL O 1 1 18 5094 1 1 17 VAL OXT O -13.475 -4.342 3.824 1.00 . A A . 17 VAL OXT 1 1 19 5095 1 1 1 MET C C -11.495 1.712 -0.395 1.00 . A A . 1 MET C 1 1 19 5096 1 1 1 MET CA C -12.882 2.342 -0.083 1.00 . A A . 1 MET CA 1 1 19 5097 1 1 1 MET CB C -12.821 3.309 1.188 1.00 . A A . 1 MET CB 1 1 19 5098 1 1 1 MET CE C -11.281 4.177 4.414 1.00 . A A . 1 MET CE 1 1 19 5099 1 1 1 MET CG C -12.805 2.694 2.626 1.00 . A A . 1 MET CG 1 1 19 5100 1 1 1 MET H1 H -13.817 0.546 -0.659 1.00 . A A . 1 MET H1 1 1 19 5101 1 1 1 MET H2 H -13.963 0.889 0.991 1.00 . A A . 1 MET H2 1 1 19 5102 1 1 1 MET H3 H -14.898 1.738 -0.136 1.00 . A A . 1 MET H3 1 1 19 5103 1 1 1 MET HA H -13.144 2.950 -0.940 1.00 . A A . 1 MET HA 1 1 19 5104 1 1 1 MET HB2 H -11.922 3.903 1.104 1.00 . A A . 1 MET HB2 1 1 19 5105 1 1 1 MET HB3 H -13.668 3.980 1.130 1.00 . A A . 1 MET HB3 1 1 19 5106 1 1 1 MET HE1 H -10.643 4.103 3.545 1.00 . A A . 1 MET HE1 1 1 19 5107 1 1 1 MET HE2 H -11.167 5.154 4.861 1.00 . A A . 1 MET HE2 1 1 19 5108 1 1 1 MET HE3 H -11.003 3.418 5.130 1.00 . A A . 1 MET HE3 1 1 19 5109 1 1 1 MET HG2 H -13.618 1.988 2.711 1.00 . A A . 1 MET HG2 1 1 19 5110 1 1 1 MET HG3 H -11.867 2.177 2.770 1.00 . A A . 1 MET HG3 1 1 19 5111 1 1 1 MET N N -13.969 1.304 0.037 1.00 . A A . 1 MET N 1 1 19 5112 1 1 1 MET O O -11.129 0.680 0.245 1.00 . A A . 1 MET O 1 1 19 5113 1 1 1 MET SD S -12.988 3.939 3.920 1.00 . A A . 1 MET SD 1 1 19 5114 1 1 2 GLN C C -8.407 3.183 -1.632 1.00 . A A . 2 GLN C 1 1 19 5115 1 1 2 GLN CA C -9.394 1.998 -1.835 1.00 . A A . 2 GLN CA 1 1 19 5116 1 1 2 GLN CB C -9.419 1.498 -3.308 1.00 . A A . 2 GLN CB 1 1 19 5117 1 1 2 GLN CD C -8.639 -0.231 -5.029 1.00 . A A . 2 GLN CD 1 1 19 5118 1 1 2 GLN CG C -8.565 0.254 -3.578 1.00 . A A . 2 GLN CG 1 1 19 5119 1 1 2 GLN H H -11.156 3.181 -1.781 1.00 . A A . 2 GLN H 1 1 19 5120 1 1 2 GLN HA H -9.068 1.188 -1.197 1.00 . A A . 2 GLN HA 1 1 19 5121 1 1 2 GLN HB2 H -10.435 1.267 -3.577 1.00 . A A . 2 GLN HB2 1 1 19 5122 1 1 2 GLN HB3 H -9.059 2.291 -3.946 1.00 . A A . 2 GLN HB3 1 1 19 5123 1 1 2 GLN HE21 H -7.053 0.884 -5.561 1.00 . A A . 2 GLN HE21 1 1 19 5124 1 1 2 GLN HE22 H -7.770 -0.058 -6.818 1.00 . A A . 2 GLN HE22 1 1 19 5125 1 1 2 GLN HG2 H -7.535 0.486 -3.348 1.00 . A A . 2 GLN HG2 1 1 19 5126 1 1 2 GLN HG3 H -8.904 -0.543 -2.932 1.00 . A A . 2 GLN HG3 1 1 19 5127 1 1 2 GLN N N -10.758 2.380 -1.371 1.00 . A A . 2 GLN N 1 1 19 5128 1 1 2 GLN NE2 N -7.727 0.248 -5.889 1.00 . A A . 2 GLN NE2 1 1 19 5129 1 1 2 GLN O O -8.705 4.346 -2.060 1.00 . A A . 2 GLN O 1 1 19 5130 1 1 2 GLN OE1 O -9.503 -1.041 -5.377 1.00 . A A . 2 GLN OE1 1 1 19 5131 1 1 3 ILE C C -4.763 3.008 -0.612 1.00 . A A . 3 ILE C 1 1 19 5132 1 1 3 ILE CA C -6.112 3.779 -0.594 1.00 . A A . 3 ILE CA 1 1 19 5133 1 1 3 ILE CB C -6.300 4.650 0.760 1.00 . A A . 3 ILE CB 1 1 19 5134 1 1 3 ILE CD1 C -5.994 3.850 3.246 1.00 . A A . 3 ILE CD1 1 1 19 5135 1 1 3 ILE CG1 C -6.882 3.848 2.009 1.00 . A A . 3 ILE CG1 1 1 19 5136 1 1 3 ILE CG2 C -7.174 5.881 0.450 1.00 . A A . 3 ILE CG2 1 1 19 5137 1 1 3 ILE H H -7.143 1.909 -0.652 1.00 . A A . 3 ILE H 1 1 19 5138 1 1 3 ILE HA H -6.059 4.483 -1.420 1.00 . A A . 3 ILE HA 1 1 19 5139 1 1 3 ILE HB H -5.318 5.030 1.016 1.00 . A A . 3 ILE HB 1 1 19 5140 1 1 3 ILE HD11 H -5.386 4.742 3.252 1.00 . A A . 3 ILE HD11 1 1 19 5141 1 1 3 ILE HD12 H -6.615 3.829 4.130 1.00 . A A . 3 ILE HD12 1 1 19 5142 1 1 3 ILE HD13 H -5.357 2.978 3.233 1.00 . A A . 3 ILE HD13 1 1 19 5143 1 1 3 ILE HG21 H -6.796 6.379 -0.430 1.00 . A A . 3 ILE HG21 1 1 19 5144 1 1 3 ILE HG22 H -8.192 5.566 0.276 1.00 . A A . 3 ILE HG22 1 1 19 5145 1 1 3 ILE HG23 H -7.146 6.562 1.289 1.00 . A A . 3 ILE HG23 1 1 19 5146 1 1 3 ILE N N -7.244 2.842 -0.945 1.00 . A A . 3 ILE N 1 1 19 5147 1 1 3 ILE O O -4.631 1.965 0.097 1.00 . A A . 3 ILE O 1 1 19 5148 1 1 4 PHE C C -1.389 3.529 -0.723 1.00 . A A . 4 PHE C 1 1 19 5149 1 1 4 PHE CA C -2.441 2.987 -1.728 1.00 . A A . 4 PHE CA 1 1 19 5150 1 1 4 PHE CB C -2.018 3.318 -3.198 1.00 . A A . 4 PHE CB 1 1 19 5151 1 1 4 PHE CD1 C -3.655 2.087 -4.959 1.00 . A A . 4 PHE CD1 1 1 19 5152 1 1 4 PHE CD2 C -1.126 1.378 -4.767 1.00 . A A . 4 PHE CD2 1 1 19 5153 1 1 4 PHE CE1 C -3.858 1.071 -6.062 1.00 . A A . 4 PHE CE1 1 1 19 5154 1 1 4 PHE CE2 C -1.331 0.371 -5.882 1.00 . A A . 4 PHE CE2 1 1 19 5155 1 1 4 PHE CG C -2.275 2.255 -4.281 1.00 . A A . 4 PHE CG 1 1 19 5156 1 1 4 PHE CZ C -2.695 0.217 -6.528 1.00 . A A . 4 PHE CZ 1 1 19 5157 1 1 4 PHE H H -4.068 4.344 -1.988 1.00 . A A . 4 PHE H 1 1 19 5158 1 1 4 PHE HA H -2.497 1.915 -1.619 1.00 . A A . 4 PHE HA 1 1 19 5159 1 1 4 PHE HB2 H -2.544 4.205 -3.507 1.00 . A A . 4 PHE HB2 1 1 19 5160 1 1 4 PHE HB3 H -0.960 3.530 -3.202 1.00 . A A . 4 PHE HB3 1 1 19 5161 1 1 4 PHE HD1 H -4.488 2.686 -4.624 1.00 . A A . 4 PHE HD1 1 1 19 5162 1 1 4 PHE HD2 H -0.156 1.477 -4.305 1.00 . A A . 4 PHE HD2 1 1 19 5163 1 1 4 PHE HE1 H -4.829 0.959 -6.515 1.00 . A A . 4 PHE HE1 1 1 19 5164 1 1 4 PHE HE2 H -0.507 -0.243 -6.211 1.00 . A A . 4 PHE HE2 1 1 19 5165 1 1 4 PHE HZ H -2.838 -0.501 -7.322 1.00 . A A . 4 PHE HZ 1 1 19 5166 1 1 4 PHE N N -3.814 3.541 -1.476 1.00 . A A . 4 PHE N 1 1 19 5167 1 1 4 PHE O O -1.470 4.730 -0.314 1.00 . A A . 4 PHE O 1 1 19 5168 1 1 5 VAL C C 2.048 2.202 0.113 1.00 . A A . 5 VAL C 1 1 19 5169 1 1 5 VAL CA C 0.731 2.869 0.610 1.00 . A A . 5 VAL CA 1 1 19 5170 1 1 5 VAL CB C 0.444 2.506 2.156 1.00 . A A . 5 VAL CB 1 1 19 5171 1 1 5 VAL CG1 C -0.367 3.613 2.821 1.00 . A A . 5 VAL CG1 1 1 19 5172 1 1 5 VAL CG2 C -0.249 1.133 2.435 1.00 . A A . 5 VAL CG2 1 1 19 5173 1 1 5 VAL H H -0.461 1.705 -0.740 1.00 . A A . 5 VAL H 1 1 19 5174 1 1 5 VAL HA H 0.902 3.941 0.562 1.00 . A A . 5 VAL HA 1 1 19 5175 1 1 5 VAL HB H 1.406 2.488 2.654 1.00 . A A . 5 VAL HB 1 1 19 5176 1 1 5 VAL HG11 H 0.030 4.575 2.529 1.00 . A A . 5 VAL HG11 1 1 19 5177 1 1 5 VAL HG12 H -1.399 3.541 2.510 1.00 . A A . 5 VAL HG12 1 1 19 5178 1 1 5 VAL HG13 H -0.306 3.510 3.894 1.00 . A A . 5 VAL HG13 1 1 19 5179 1 1 5 VAL HG21 H 0.349 0.337 2.017 1.00 . A A . 5 VAL HG21 1 1 19 5180 1 1 5 VAL HG22 H -0.346 0.989 3.501 1.00 . A A . 5 VAL HG22 1 1 19 5181 1 1 5 VAL HG23 H -1.228 1.124 1.977 1.00 . A A . 5 VAL HG23 1 1 19 5182 1 1 5 VAL N N -0.414 2.606 -0.349 1.00 . A A . 5 VAL N 1 1 19 5183 1 1 5 VAL O O 2.018 0.997 -0.277 1.00 . A A . 5 VAL O 1 1 19 5184 1 1 6 LYS C C 5.620 2.922 0.808 1.00 . A A . 6 LYS C 1 1 19 5185 1 1 6 LYS CA C 4.552 2.639 -0.295 1.00 . A A . 6 LYS CA 1 1 19 5186 1 1 6 LYS CB C 4.913 3.367 -1.617 1.00 . A A . 6 LYS CB 1 1 19 5187 1 1 6 LYS CD C 5.585 3.111 -4.067 1.00 . A A . 6 LYS CD 1 1 19 5188 1 1 6 LYS CE C 6.778 2.683 -4.915 1.00 . A A . 6 LYS CE 1 1 19 5189 1 1 6 LYS CG C 5.621 2.490 -2.663 1.00 . A A . 6 LYS CG 1 1 19 5190 1 1 6 LYS H H 3.053 3.951 0.458 1.00 . A A . 6 LYS H 1 1 19 5191 1 1 6 LYS HA H 4.534 1.573 -0.476 1.00 . A A . 6 LYS HA 1 1 19 5192 1 1 6 LYS HB2 H 4.003 3.746 -2.057 1.00 . A A . 6 LYS HB2 1 1 19 5193 1 1 6 LYS HB3 H 5.559 4.201 -1.385 1.00 . A A . 6 LYS HB3 1 1 19 5194 1 1 6 LYS HD2 H 4.679 2.791 -4.560 1.00 . A A . 6 LYS HD2 1 1 19 5195 1 1 6 LYS HD3 H 5.586 4.189 -3.982 1.00 . A A . 6 LYS HD3 1 1 19 5196 1 1 6 LYS HE2 H 7.656 3.210 -4.567 1.00 . A A . 6 LYS HE2 1 1 19 5197 1 1 6 LYS HE3 H 6.926 1.620 -4.796 1.00 . A A . 6 LYS HE3 1 1 19 5198 1 1 6 LYS HG2 H 6.649 2.358 -2.356 1.00 . A A . 6 LYS HG2 1 1 19 5199 1 1 6 LYS HG3 H 5.132 1.526 -2.694 1.00 . A A . 6 LYS HG3 1 1 19 5200 1 1 6 LYS HZ1 H 5.715 2.510 -6.705 1.00 . A A . 6 LYS HZ1 1 1 19 5201 1 1 6 LYS HZ2 H 6.461 4.013 -6.494 1.00 . A A . 6 LYS HZ2 1 1 19 5202 1 1 6 LYS HZ3 H 7.387 2.660 -6.913 1.00 . A A . 6 LYS HZ3 1 1 19 5203 1 1 6 LYS N N 3.171 3.029 0.138 1.00 . A A . 6 LYS N 1 1 19 5204 1 1 6 LYS NZ N 6.570 2.988 -6.357 1.00 . A A . 6 LYS NZ 1 1 19 5205 1 1 6 LYS O O 5.508 3.947 1.545 1.00 . A A . 6 LYS O 1 1 19 5206 1 1 7 THR C C 9.173 2.080 1.049 1.00 . A A . 7 THR C 1 1 19 5207 1 1 7 THR CA C 7.820 1.996 1.818 1.00 . A A . 7 THR CA 1 1 19 5208 1 1 7 THR CB C 7.855 0.753 2.780 1.00 . A A . 7 THR CB 1 1 19 5209 1 1 7 THR CG2 C 6.876 0.891 3.950 1.00 . A A . 7 THR CG2 1 1 19 5210 1 1 7 THR H H 6.615 1.233 0.226 1.00 . A A . 7 THR H 1 1 19 5211 1 1 7 THR HA H 7.724 2.885 2.427 1.00 . A A . 7 THR HA 1 1 19 5212 1 1 7 THR HB H 8.852 0.684 3.188 1.00 . A A . 7 THR HB 1 1 19 5213 1 1 7 THR HG1 H 7.825 -1.209 2.610 1.00 . A A . 7 THR HG1 1 1 19 5214 1 1 7 THR HG21 H 5.977 1.386 3.613 1.00 . A A . 7 THR HG21 1 1 19 5215 1 1 7 THR HG22 H 6.628 -0.090 4.327 1.00 . A A . 7 THR HG22 1 1 19 5216 1 1 7 THR HG23 H 7.334 1.474 4.736 1.00 . A A . 7 THR HG23 1 1 19 5217 1 1 7 THR N N 6.645 1.979 0.865 1.00 . A A . 7 THR N 1 1 19 5218 1 1 7 THR O O 9.292 1.498 -0.071 1.00 . A A . 7 THR O 1 1 19 5219 1 1 7 THR OG1 O 7.579 -0.456 2.069 1.00 . A A . 7 THR OG1 1 1 19 5220 1 1 8 LEU C C 12.483 1.758 1.065 1.00 . A A . 8 LEU C 1 1 19 5221 1 1 8 LEU CA C 11.591 3.058 1.165 1.00 . A A . 8 LEU CA 1 1 19 5222 1 1 8 LEU CB C 12.286 4.143 2.037 1.00 . A A . 8 LEU CB 1 1 19 5223 1 1 8 LEU CD1 C 11.313 6.429 2.673 1.00 . A A . 8 LEU CD1 1 1 19 5224 1 1 8 LEU CD2 C 13.310 6.331 1.171 1.00 . A A . 8 LEU CD2 1 1 19 5225 1 1 8 LEU CG C 12.020 5.622 1.587 1.00 . A A . 8 LEU CG 1 1 19 5226 1 1 8 LEU H H 9.955 3.213 2.564 1.00 . A A . 8 LEU H 1 1 19 5227 1 1 8 LEU HA H 11.483 3.454 0.165 1.00 . A A . 8 LEU HA 1 1 19 5228 1 1 8 LEU HB2 H 11.947 4.010 3.058 1.00 . A A . 8 LEU HB2 1 1 19 5229 1 1 8 LEU HB3 H 13.350 3.951 2.013 1.00 . A A . 8 LEU HB3 1 1 19 5230 1 1 8 LEU HD11 H 10.436 5.895 3.007 1.00 . A A . 8 LEU HD11 1 1 19 5231 1 1 8 LEU HD12 H 11.984 6.576 3.507 1.00 . A A . 8 LEU HD12 1 1 19 5232 1 1 8 LEU HD13 H 11.020 7.390 2.274 1.00 . A A . 8 LEU HD13 1 1 19 5233 1 1 8 LEU HD21 H 13.803 5.756 0.401 1.00 . A A . 8 LEU HD21 1 1 19 5234 1 1 8 LEU HD22 H 13.073 7.313 0.790 1.00 . A A . 8 LEU HD22 1 1 19 5235 1 1 8 LEU HD23 H 13.963 6.423 2.026 1.00 . A A . 8 LEU HD23 1 1 19 5236 1 1 8 LEU HG H 11.365 5.611 0.725 1.00 . A A . 8 LEU HG 1 1 19 5237 1 1 8 LEU N N 10.180 2.816 1.690 1.00 . A A . 8 LEU N 1 1 19 5238 1 1 8 LEU O O 13.487 1.763 0.285 1.00 . A A . 8 LEU O 1 1 19 5239 1 1 9 ASP C C 12.555 -1.537 0.586 1.00 . A A . 9 ASP C 1 1 19 5240 1 1 9 ASP CA C 12.749 -0.701 1.889 1.00 . A A . 9 ASP CA 1 1 19 5241 1 1 9 ASP CB C 12.272 -1.506 3.125 1.00 . A A . 9 ASP CB 1 1 19 5242 1 1 9 ASP CG C 13.389 -2.299 3.794 1.00 . A A . 9 ASP CG 1 1 19 5243 1 1 9 ASP H H 11.256 0.767 2.374 1.00 . A A . 9 ASP H 1 1 19 5244 1 1 9 ASP HA H 13.808 -0.511 2.000 1.00 . A A . 9 ASP HA 1 1 19 5245 1 1 9 ASP HB2 H 11.862 -0.822 3.852 1.00 . A A . 9 ASP HB2 1 1 19 5246 1 1 9 ASP HB3 H 11.501 -2.197 2.817 1.00 . A A . 9 ASP HB3 1 1 19 5247 1 1 9 ASP N N 12.069 0.655 1.835 1.00 . A A . 9 ASP N 1 1 19 5248 1 1 9 ASP O O 13.546 -2.194 0.162 1.00 . A A . 9 ASP O 1 1 19 5249 1 1 9 ASP OD1 O 14.047 -1.751 4.708 1.00 . A A . 9 ASP OD1 1 1 19 5250 1 1 9 ASP OD2 O 13.597 -3.474 3.414 1.00 . A A . 9 ASP OD2 1 1 19 5251 1 1 10 GLY C C 9.687 -3.076 -1.122 1.00 . A A . 10 GLY C 1 1 19 5252 1 1 10 GLY CA C 10.907 -2.175 -1.274 1.00 . A A . 10 GLY CA 1 1 19 5253 1 1 10 GLY H H 10.608 -0.908 0.416 1.00 . A A . 10 GLY H 1 1 19 5254 1 1 10 GLY HA2 H 11.744 -2.775 -1.601 1.00 . A A . 10 GLY HA2 1 1 19 5255 1 1 10 GLY HA3 H 10.696 -1.437 -2.033 1.00 . A A . 10 GLY HA3 1 1 19 5256 1 1 10 GLY N N 11.289 -1.471 -0.018 1.00 . A A . 10 GLY N 1 1 19 5257 1 1 10 GLY O O 9.798 -4.284 -1.457 1.00 . A A . 10 GLY O 1 1 19 5258 1 1 11 LYS C C 6.015 -2.237 -0.847 1.00 . A A . 11 LYS C 1 1 19 5259 1 1 11 LYS CA C 7.203 -3.134 -0.388 1.00 . A A . 11 LYS CA 1 1 19 5260 1 1 11 LYS CB C 7.021 -3.520 1.109 1.00 . A A . 11 LYS CB 1 1 19 5261 1 1 11 LYS CD C 8.593 -4.721 2.799 1.00 . A A . 11 LYS CD 1 1 19 5262 1 1 11 LYS CE C 8.053 -5.500 4.006 1.00 . A A . 11 LYS CE 1 1 19 5263 1 1 11 LYS CG C 7.697 -4.851 1.533 1.00 . A A . 11 LYS CG 1 1 19 5264 1 1 11 LYS H H 8.586 -1.503 -0.403 1.00 . A A . 11 LYS H 1 1 19 5265 1 1 11 LYS HA H 7.193 -4.037 -0.983 1.00 . A A . 11 LYS HA 1 1 19 5266 1 1 11 LYS HB2 H 7.420 -2.719 1.714 1.00 . A A . 11 LYS HB2 1 1 19 5267 1 1 11 LYS HB3 H 5.963 -3.606 1.310 1.00 . A A . 11 LYS HB3 1 1 19 5268 1 1 11 LYS HD2 H 9.572 -5.105 2.563 1.00 . A A . 11 LYS HD2 1 1 19 5269 1 1 11 LYS HD3 H 8.681 -3.678 3.073 1.00 . A A . 11 LYS HD3 1 1 19 5270 1 1 11 LYS HE2 H 6.976 -5.433 4.007 1.00 . A A . 11 LYS HE2 1 1 19 5271 1 1 11 LYS HE3 H 8.350 -6.533 3.912 1.00 . A A . 11 LYS HE3 1 1 19 5272 1 1 11 LYS HG2 H 6.921 -5.577 1.718 1.00 . A A . 11 LYS HG2 1 1 19 5273 1 1 11 LYS HG3 H 8.313 -5.203 0.716 1.00 . A A . 11 LYS HG3 1 1 19 5274 1 1 11 LYS HZ1 H 8.375 -3.939 5.355 1.00 . A A . 11 LYS HZ1 1 1 19 5275 1 1 11 LYS HZ2 H 8.108 -5.439 6.093 1.00 . A A . 11 LYS HZ2 1 1 19 5276 1 1 11 LYS HZ3 H 9.596 -5.110 5.358 1.00 . A A . 11 LYS HZ3 1 1 19 5277 1 1 11 LYS N N 8.534 -2.460 -0.621 1.00 . A A . 11 LYS N 1 1 19 5278 1 1 11 LYS NZ N 8.570 -4.959 5.293 1.00 . A A . 11 LYS NZ 1 1 19 5279 1 1 11 LYS O O 6.071 -0.978 -0.667 1.00 . A A . 11 LYS O 1 1 19 5280 1 1 12 THR C C 2.456 -3.173 -1.504 1.00 . A A . 12 THR C 1 1 19 5281 1 1 12 THR CA C 3.674 -2.310 -1.933 1.00 . A A . 12 THR CA 1 1 19 5282 1 1 12 THR CB C 3.659 -2.063 -3.491 1.00 . A A . 12 THR CB 1 1 19 5283 1 1 12 THR CG2 C 4.428 -0.796 -3.878 1.00 . A A . 12 THR CG2 1 1 19 5284 1 1 12 THR H H 5.025 -3.906 -1.499 1.00 . A A . 12 THR H 1 1 19 5285 1 1 12 THR HA H 3.579 -1.347 -1.445 1.00 . A A . 12 THR HA 1 1 19 5286 1 1 12 THR HB H 2.630 -1.933 -3.793 1.00 . A A . 12 THR HB 1 1 19 5287 1 1 12 THR HG1 H 3.525 -3.866 -4.289 1.00 . A A . 12 THR HG1 1 1 19 5288 1 1 12 THR HG21 H 5.341 -0.740 -3.303 1.00 . A A . 12 THR HG21 1 1 19 5289 1 1 12 THR HG22 H 4.667 -0.828 -4.930 1.00 . A A . 12 THR HG22 1 1 19 5290 1 1 12 THR HG23 H 3.818 0.072 -3.672 1.00 . A A . 12 THR HG23 1 1 19 5291 1 1 12 THR N N 4.950 -2.929 -1.425 1.00 . A A . 12 THR N 1 1 19 5292 1 1 12 THR O O 2.468 -4.431 -1.709 1.00 . A A . 12 THR O 1 1 19 5293 1 1 12 THR OG1 O 4.199 -3.189 -4.201 1.00 . A A . 12 THR OG1 1 1 19 5294 1 1 13 ILE C C -1.056 -2.078 -0.427 1.00 . A A . 13 ILE C 1 1 19 5295 1 1 13 ILE CA C 0.141 -3.068 -0.325 1.00 . A A . 13 ILE CA 1 1 19 5296 1 1 13 ILE CB C 0.236 -3.678 1.170 1.00 . A A . 13 ILE CB 1 1 19 5297 1 1 13 ILE CD1 C 0.126 -2.433 3.490 1.00 . A A . 13 ILE CD1 1 1 19 5298 1 1 13 ILE CG1 C 0.963 -2.749 2.253 1.00 . A A . 13 ILE CG1 1 1 19 5299 1 1 13 ILE CG2 C 0.897 -5.071 1.121 1.00 . A A . 13 ILE CG2 1 1 19 5300 1 1 13 ILE H H 1.551 -1.498 -0.745 1.00 . A A . 13 ILE H 1 1 19 5301 1 1 13 ILE HA H -0.094 -3.894 -0.988 1.00 . A A . 13 ILE HA 1 1 19 5302 1 1 13 ILE HB H -0.785 -3.843 1.491 1.00 . A A . 13 ILE HB 1 1 19 5303 1 1 13 ILE HD11 H -0.240 -3.358 3.914 1.00 . A A . 13 ILE HD11 1 1 19 5304 1 1 13 ILE HD12 H 0.738 -1.920 4.217 1.00 . A A . 13 ILE HD12 1 1 19 5305 1 1 13 ILE HD13 H -0.708 -1.807 3.212 1.00 . A A . 13 ILE HD13 1 1 19 5306 1 1 13 ILE HG12 H 1.876 -3.218 2.591 1.00 . A A . 13 ILE HG12 1 1 19 5307 1 1 13 ILE HG13 H 1.211 -1.808 1.782 1.00 . A A . 13 ILE HG13 1 1 19 5308 1 1 13 ILE HG21 H 1.874 -4.992 0.667 1.00 . A A . 13 ILE HG21 1 1 19 5309 1 1 13 ILE HG22 H 0.998 -5.452 2.127 1.00 . A A . 13 ILE HG22 1 1 19 5310 1 1 13 ILE HG23 H 0.280 -5.742 0.540 1.00 . A A . 13 ILE HG23 1 1 19 5311 1 1 13 ILE N N 1.430 -2.465 -0.870 1.00 . A A . 13 ILE N 1 1 19 5312 1 1 13 ILE O O -0.877 -0.867 -0.112 1.00 . A A . 13 ILE O 1 1 19 5313 1 1 14 THR C C -4.499 -2.140 0.196 1.00 . A A . 14 THR C 1 1 19 5314 1 1 14 THR CA C -3.562 -1.914 -1.021 1.00 . A A . 14 THR CA 1 1 19 5315 1 1 14 THR CB C -4.349 -2.300 -2.331 1.00 . A A . 14 THR CB 1 1 19 5316 1 1 14 THR CG2 C -3.769 -1.649 -3.570 1.00 . A A . 14 THR CG2 1 1 19 5317 1 1 14 THR H H -2.257 -3.608 -1.057 1.00 . A A . 14 THR H 1 1 19 5318 1 1 14 THR HA H -3.332 -0.858 -1.073 1.00 . A A . 14 THR HA 1 1 19 5319 1 1 14 THR HB H -5.367 -1.936 -2.219 1.00 . A A . 14 THR HB 1 1 19 5320 1 1 14 THR HG1 H -5.247 -4.059 -2.239 1.00 . A A . 14 THR HG1 1 1 19 5321 1 1 14 THR HG21 H -3.459 -0.642 -3.335 1.00 . A A . 14 THR HG21 1 1 19 5322 1 1 14 THR HG22 H -2.921 -2.219 -3.913 1.00 . A A . 14 THR HG22 1 1 19 5323 1 1 14 THR HG23 H -4.525 -1.621 -4.341 1.00 . A A . 14 THR HG23 1 1 19 5324 1 1 14 THR N N -2.253 -2.648 -0.854 1.00 . A A . 14 THR N 1 1 19 5325 1 1 14 THR O O -4.544 -3.291 0.747 1.00 . A A . 14 THR O 1 1 19 5326 1 1 14 THR OG1 O -4.389 -3.725 -2.512 1.00 . A A . 14 THR OG1 1 1 19 5327 1 1 15 LEU C C -7.676 -1.100 1.006 1.00 . A A . 15 LEU C 1 1 19 5328 1 1 15 LEU CA C -6.259 -1.011 1.654 1.00 . A A . 15 LEU CA 1 1 19 5329 1 1 15 LEU CB C -6.034 0.212 2.598 1.00 . A A . 15 LEU CB 1 1 19 5330 1 1 15 LEU CD1 C -5.070 0.209 4.975 1.00 . A A . 15 LEU CD1 1 1 19 5331 1 1 15 LEU CD2 C -7.486 0.767 4.643 1.00 . A A . 15 LEU CD2 1 1 19 5332 1 1 15 LEU CG C -6.307 -0.058 4.117 1.00 . A A . 15 LEU CG 1 1 19 5333 1 1 15 LEU H H -5.156 -0.204 0.032 1.00 . A A . 15 LEU H 1 1 19 5334 1 1 15 LEU HA H -6.105 -1.921 2.226 1.00 . A A . 15 LEU HA 1 1 19 5335 1 1 15 LEU HB2 H -5.007 0.537 2.468 1.00 . A A . 15 LEU HB2 1 1 19 5336 1 1 15 LEU HB3 H -6.679 1.012 2.258 1.00 . A A . 15 LEU HB3 1 1 19 5337 1 1 15 LEU HD11 H -4.205 -0.236 4.508 1.00 . A A . 15 LEU HD11 1 1 19 5338 1 1 15 LEU HD12 H -4.920 1.274 5.068 1.00 . A A . 15 LEU HD12 1 1 19 5339 1 1 15 LEU HD13 H -5.211 -0.222 5.956 1.00 . A A . 15 LEU HD13 1 1 19 5340 1 1 15 LEU HD21 H -8.369 0.541 4.065 1.00 . A A . 15 LEU HD21 1 1 19 5341 1 1 15 LEU HD22 H -7.663 0.522 5.681 1.00 . A A . 15 LEU HD22 1 1 19 5342 1 1 15 LEU HD23 H -7.258 1.819 4.556 1.00 . A A . 15 LEU HD23 1 1 19 5343 1 1 15 LEU HG H -6.560 -1.103 4.245 1.00 . A A . 15 LEU HG 1 1 19 5344 1 1 15 LEU N N -5.261 -1.031 0.561 1.00 . A A . 15 LEU N 1 1 19 5345 1 1 15 LEU O O -8.195 -0.091 0.413 1.00 . A A . 15 LEU O 1 1 19 5346 1 1 16 GLU C C -10.503 -3.410 1.523 1.00 . A A . 16 GLU C 1 1 19 5347 1 1 16 GLU CA C -9.549 -2.775 0.473 1.00 . A A . 16 GLU CA 1 1 19 5348 1 1 16 GLU CB C -9.305 -3.746 -0.707 1.00 . A A . 16 GLU CB 1 1 19 5349 1 1 16 GLU CD C -9.241 -4.016 -3.253 1.00 . A A . 16 GLU CD 1 1 19 5350 1 1 16 GLU CG C -9.125 -3.060 -2.068 1.00 . A A . 16 GLU CG 1 1 19 5351 1 1 16 GLU H H -7.713 -3.087 1.497 1.00 . A A . 16 GLU H 1 1 19 5352 1 1 16 GLU HA H -10.012 -1.876 0.091 1.00 . A A . 16 GLU HA 1 1 19 5353 1 1 16 GLU HB2 H -8.412 -4.318 -0.504 1.00 . A A . 16 GLU HB2 1 1 19 5354 1 1 16 GLU HB3 H -10.144 -4.422 -0.779 1.00 . A A . 16 GLU HB3 1 1 19 5355 1 1 16 GLU HG2 H -9.881 -2.296 -2.173 1.00 . A A . 16 GLU HG2 1 1 19 5356 1 1 16 GLU HG3 H -8.147 -2.595 -2.096 1.00 . A A . 16 GLU HG3 1 1 19 5357 1 1 16 GLU N N -8.236 -2.374 1.066 1.00 . A A . 16 GLU N 1 1 19 5358 1 1 16 GLU O O -10.024 -4.145 2.445 1.00 . A A . 16 GLU O 1 1 19 5359 1 1 16 GLU OE1 O -10.369 -4.197 -3.769 1.00 . A A . 16 GLU OE1 1 1 19 5360 1 1 16 GLU OE2 O -8.202 -4.572 -3.676 1.00 . A A . 16 GLU OE2 1 1 19 5361 1 1 17 VAL C C -13.516 -4.967 1.691 1.00 . A A . 17 VAL C 1 1 19 5362 1 1 17 VAL CA C -12.979 -3.575 2.212 1.00 . A A . 17 VAL CA 1 1 19 5363 1 1 17 VAL CB C -14.079 -2.388 2.416 1.00 . A A . 17 VAL CB 1 1 19 5364 1 1 17 VAL CG1 C -14.967 -2.027 1.188 1.00 . A A . 17 VAL CG1 1 1 19 5365 1 1 17 VAL CG2 C -14.960 -2.601 3.665 1.00 . A A . 17 VAL CG2 1 1 19 5366 1 1 17 VAL H H -12.095 -2.518 0.592 1.00 . A A . 17 VAL H 1 1 19 5367 1 1 17 VAL HA H -12.537 -3.764 3.185 1.00 . A A . 17 VAL HA 1 1 19 5368 1 1 17 VAL HB H -13.498 -1.498 2.615 1.00 . A A . 17 VAL HB 1 1 19 5369 1 1 17 VAL HG11 H -14.336 -1.838 0.331 1.00 . A A . 17 VAL HG11 1 1 19 5370 1 1 17 VAL HG12 H -15.633 -2.850 0.970 1.00 . A A . 17 VAL HG12 1 1 19 5371 1 1 17 VAL HG13 H -15.546 -1.145 1.409 1.00 . A A . 17 VAL HG13 1 1 19 5372 1 1 17 VAL HG21 H -14.369 -3.048 4.451 1.00 . A A . 17 VAL HG21 1 1 19 5373 1 1 17 VAL HG22 H -15.344 -1.649 4.001 1.00 . A A . 17 VAL HG22 1 1 19 5374 1 1 17 VAL HG23 H -15.782 -3.255 3.419 1.00 . A A . 17 VAL HG23 1 1 19 5375 1 1 17 VAL N N -11.853 -3.099 1.347 1.00 . A A . 17 VAL N 1 1 19 5376 1 1 17 VAL O O -13.565 -5.918 2.498 1.00 . A A . 17 VAL O 1 1 19 5377 1 1 17 VAL OXT O -13.871 -5.059 0.495 1.00 . A A . 17 VAL OXT 1 1 20 5378 1 1 1 MET C C -11.521 1.146 -1.130 1.00 . A A . 1 MET C 1 1 20 5379 1 1 1 MET CA C -12.956 1.702 -0.900 1.00 . A A . 1 MET CA 1 1 20 5380 1 1 1 MET CB C -13.047 2.455 0.454 1.00 . A A . 1 MET CB 1 1 20 5381 1 1 1 MET CE C -15.373 5.236 1.002 1.00 . A A . 1 MET CE 1 1 20 5382 1 1 1 MET CG C -12.968 3.984 0.353 1.00 . A A . 1 MET CG 1 1 20 5383 1 1 1 MET H1 H -13.980 0.129 -1.823 1.00 . A A . 1 MET H1 1 1 20 5384 1 1 1 MET H2 H -13.791 -0.064 -0.154 1.00 . A A . 1 MET H2 1 1 20 5385 1 1 1 MET H3 H -14.932 1.031 -0.754 1.00 . A A . 1 MET H3 1 1 20 5386 1 1 1 MET HA H -13.189 2.388 -1.702 1.00 . A A . 1 MET HA 1 1 20 5387 1 1 1 MET HB2 H -13.987 2.206 0.923 1.00 . A A . 1 MET HB2 1 1 20 5388 1 1 1 MET HB3 H -12.239 2.120 1.091 1.00 . A A . 1 MET HB3 1 1 20 5389 1 1 1 MET HE1 H -15.808 4.347 0.566 1.00 . A A . 1 MET HE1 1 1 20 5390 1 1 1 MET HE2 H -16.032 5.622 1.766 1.00 . A A . 1 MET HE2 1 1 20 5391 1 1 1 MET HE3 H -15.235 5.983 0.234 1.00 . A A . 1 MET HE3 1 1 20 5392 1 1 1 MET HG2 H -11.926 4.274 0.344 1.00 . A A . 1 MET HG2 1 1 20 5393 1 1 1 MET HG3 H -13.434 4.294 -0.571 1.00 . A A . 1 MET HG3 1 1 20 5394 1 1 1 MET N N -13.987 0.624 -0.908 1.00 . A A . 1 MET N 1 1 20 5395 1 1 1 MET O O -11.183 0.032 -0.614 1.00 . A A . 1 MET O 1 1 20 5396 1 1 1 MET SD S -13.786 4.822 1.729 1.00 . A A . 1 MET SD 1 1 20 5397 1 1 2 GLN C C -8.408 2.961 -1.928 1.00 . A A . 2 GLN C 1 1 20 5398 1 1 2 GLN CA C -9.275 1.705 -2.246 1.00 . A A . 2 GLN CA 1 1 20 5399 1 1 2 GLN CB C -9.125 1.234 -3.729 1.00 . A A . 2 GLN CB 1 1 20 5400 1 1 2 GLN CD C -7.634 -0.016 -5.417 1.00 . A A . 2 GLN CD 1 1 20 5401 1 1 2 GLN CG C -8.051 0.150 -3.953 1.00 . A A . 2 GLN CG 1 1 20 5402 1 1 2 GLN H H -11.081 2.820 -2.226 1.00 . A A . 2 GLN H 1 1 20 5403 1 1 2 GLN HA H -8.944 0.906 -1.595 1.00 . A A . 2 GLN HA 1 1 20 5404 1 1 2 GLN HB2 H -10.070 0.839 -4.063 1.00 . A A . 2 GLN HB2 1 1 20 5405 1 1 2 GLN HB3 H -8.869 2.088 -4.337 1.00 . A A . 2 GLN HB3 1 1 20 5406 1 1 2 GLN HE21 H -8.869 -1.580 -5.658 1.00 . A A . 2 GLN HE21 1 1 20 5407 1 1 2 GLN HE22 H -7.945 -1.123 -7.044 1.00 . A A . 2 GLN HE22 1 1 20 5408 1 1 2 GLN HG2 H -7.176 0.412 -3.379 1.00 . A A . 2 GLN HG2 1 1 20 5409 1 1 2 GLN HG3 H -8.439 -0.794 -3.597 1.00 . A A . 2 GLN HG3 1 1 20 5410 1 1 2 GLN N N -10.701 1.974 -1.898 1.00 . A A . 2 GLN N 1 1 20 5411 1 1 2 GLN NE2 N -8.210 -1.006 -6.108 1.00 . A A . 2 GLN NE2 1 1 20 5412 1 1 2 GLN O O -8.755 4.106 -2.361 1.00 . A A . 2 GLN O 1 1 20 5413 1 1 2 GLN OE1 O -6.784 0.725 -5.925 1.00 . A A . 2 GLN OE1 1 1 20 5414 1 1 3 ILE C C -4.883 2.987 -0.587 1.00 . A A . 3 ILE C 1 1 20 5415 1 1 3 ILE CA C -6.268 3.686 -0.666 1.00 . A A . 3 ILE CA 1 1 20 5416 1 1 3 ILE CB C -6.636 4.488 0.694 1.00 . A A . 3 ILE CB 1 1 20 5417 1 1 3 ILE CD1 C -6.522 3.551 3.144 1.00 . A A . 3 ILE CD1 1 1 20 5418 1 1 3 ILE CG1 C -7.303 3.606 1.841 1.00 . A A . 3 ILE CG1 1 1 20 5419 1 1 3 ILE CG2 C -7.531 5.690 0.347 1.00 . A A . 3 ILE CG2 1 1 20 5420 1 1 3 ILE H H -7.151 1.755 -0.866 1.00 . A A . 3 ILE H 1 1 20 5421 1 1 3 ILE HA H -6.187 4.420 -1.461 1.00 . A A . 3 ILE HA 1 1 20 5422 1 1 3 ILE HB H -5.705 4.898 1.065 1.00 . A A . 3 ILE HB 1 1 20 5423 1 1 3 ILE HD11 H -6.204 4.546 3.415 1.00 . A A . 3 ILE HD11 1 1 20 5424 1 1 3 ILE HD12 H -7.159 3.152 3.922 1.00 . A A . 3 ILE HD12 1 1 20 5425 1 1 3 ILE HD13 H -5.660 2.914 3.022 1.00 . A A . 3 ILE HD13 1 1 20 5426 1 1 3 ILE HG21 H -8.384 5.350 -0.223 1.00 . A A . 3 ILE HG21 1 1 20 5427 1 1 3 ILE HG22 H -7.872 6.160 1.257 1.00 . A A . 3 ILE HG22 1 1 20 5428 1 1 3 ILE HG23 H -6.967 6.402 -0.237 1.00 . A A . 3 ILE HG23 1 1 20 5429 1 1 3 ILE N N -7.293 2.688 -1.145 1.00 . A A . 3 ILE N 1 1 20 5430 1 1 3 ILE O O -4.746 1.949 0.126 1.00 . A A . 3 ILE O 1 1 20 5431 1 1 4 PHE C C -1.532 3.613 -0.479 1.00 . A A . 4 PHE C 1 1 20 5432 1 1 4 PHE CA C -2.502 3.057 -1.552 1.00 . A A . 4 PHE CA 1 1 20 5433 1 1 4 PHE CB C -1.996 3.392 -2.998 1.00 . A A . 4 PHE CB 1 1 20 5434 1 1 4 PHE CD1 C -3.426 2.052 -4.850 1.00 . A A . 4 PHE CD1 1 1 20 5435 1 1 4 PHE CD2 C -0.895 1.450 -4.433 1.00 . A A . 4 PHE CD2 1 1 20 5436 1 1 4 PHE CE1 C -3.500 0.998 -5.931 1.00 . A A . 4 PHE CE1 1 1 20 5437 1 1 4 PHE CE2 C -0.972 0.401 -5.526 1.00 . A A . 4 PHE CE2 1 1 20 5438 1 1 4 PHE CG C -2.115 2.294 -4.069 1.00 . A A . 4 PHE CG 1 1 20 5439 1 1 4 PHE CZ C -2.273 0.175 -6.273 1.00 . A A . 4 PHE CZ 1 1 20 5440 1 1 4 PHE H H -4.160 4.346 -1.930 1.00 . A A . 4 PHE H 1 1 20 5441 1 1 4 PHE HA H -2.536 1.982 -1.447 1.00 . A A . 4 PHE HA 1 1 20 5442 1 1 4 PHE HB2 H -2.553 4.237 -3.359 1.00 . A A . 4 PHE HB2 1 1 20 5443 1 1 4 PHE HB3 H -0.955 3.669 -2.933 1.00 . A A . 4 PHE HB3 1 1 20 5444 1 1 4 PHE HD1 H -4.305 2.628 -4.603 1.00 . A A . 4 PHE HD1 1 1 20 5445 1 1 4 PHE HD2 H 0.030 1.603 -3.900 1.00 . A A . 4 PHE HD2 1 1 20 5446 1 1 4 PHE HE1 H -4.428 0.830 -6.456 1.00 . A A . 4 PHE HE1 1 1 20 5447 1 1 4 PHE HE2 H -0.101 -0.187 -5.769 1.00 . A A . 4 PHE HE2 1 1 20 5448 1 1 4 PHE HZ H -2.323 -0.572 -7.051 1.00 . A A . 4 PHE HZ 1 1 20 5449 1 1 4 PHE N N -3.906 3.560 -1.392 1.00 . A A . 4 PHE N 1 1 20 5450 1 1 4 PHE O O -1.621 4.826 -0.115 1.00 . A A . 4 PHE O 1 1 20 5451 1 1 5 VAL C C 1.795 2.236 0.559 1.00 . A A . 5 VAL C 1 1 20 5452 1 1 5 VAL CA C 0.447 2.920 1.037 1.00 . A A . 5 VAL CA 1 1 20 5453 1 1 5 VAL CB C -0.084 2.533 2.537 1.00 . A A . 5 VAL CB 1 1 20 5454 1 1 5 VAL CG1 C -0.303 1.022 2.842 1.00 . A A . 5 VAL CG1 1 1 20 5455 1 1 5 VAL CG2 C 0.757 3.183 3.657 1.00 . A A . 5 VAL CG2 1 1 20 5456 1 1 5 VAL H H -0.657 1.764 -0.365 1.00 . A A . 5 VAL H 1 1 20 5457 1 1 5 VAL HA H 0.624 3.991 1.027 1.00 . A A . 5 VAL HA 1 1 20 5458 1 1 5 VAL HB H -1.066 2.980 2.612 1.00 . A A . 5 VAL HB 1 1 20 5459 1 1 5 VAL HG11 H -1.029 0.617 2.152 1.00 . A A . 5 VAL HG11 1 1 20 5460 1 1 5 VAL HG12 H 0.633 0.494 2.728 1.00 . A A . 5 VAL HG12 1 1 20 5461 1 1 5 VAL HG13 H -0.664 0.907 3.852 1.00 . A A . 5 VAL HG13 1 1 20 5462 1 1 5 VAL HG21 H 0.791 4.252 3.507 1.00 . A A . 5 VAL HG21 1 1 20 5463 1 1 5 VAL HG22 H 0.307 2.969 4.615 1.00 . A A . 5 VAL HG22 1 1 20 5464 1 1 5 VAL HG23 H 1.760 2.785 3.631 1.00 . A A . 5 VAL HG23 1 1 20 5465 1 1 5 VAL N N -0.614 2.674 0.005 1.00 . A A . 5 VAL N 1 1 20 5466 1 1 5 VAL O O 1.785 1.000 0.300 1.00 . A A . 5 VAL O 1 1 20 5467 1 1 6 LYS C C 5.323 2.851 1.150 1.00 . A A . 6 LYS C 1 1 20 5468 1 1 6 LYS CA C 4.265 2.688 0.016 1.00 . A A . 6 LYS CA 1 1 20 5469 1 1 6 LYS CB C 4.666 3.497 -1.245 1.00 . A A . 6 LYS CB 1 1 20 5470 1 1 6 LYS CD C 5.400 3.402 -3.690 1.00 . A A . 6 LYS CD 1 1 20 5471 1 1 6 LYS CE C 6.607 3.007 -4.535 1.00 . A A . 6 LYS CE 1 1 20 5472 1 1 6 LYS CG C 5.379 2.679 -2.336 1.00 . A A . 6 LYS CG 1 1 20 5473 1 1 6 LYS H H 2.753 4.035 0.682 1.00 . A A . 6 LYS H 1 1 20 5474 1 1 6 LYS HA H 4.216 1.640 -0.245 1.00 . A A . 6 LYS HA 1 1 20 5475 1 1 6 LYS HB2 H 3.773 3.923 -1.677 1.00 . A A . 6 LYS HB2 1 1 20 5476 1 1 6 LYS HB3 H 5.323 4.300 -0.945 1.00 . A A . 6 LYS HB3 1 1 20 5477 1 1 6 LYS HD2 H 4.503 3.145 -4.232 1.00 . A A . 6 LYS HD2 1 1 20 5478 1 1 6 LYS HD3 H 5.426 4.472 -3.526 1.00 . A A . 6 LYS HD3 1 1 20 5479 1 1 6 LYS HE2 H 7.487 3.485 -4.127 1.00 . A A . 6 LYS HE2 1 1 20 5480 1 1 6 LYS HE3 H 6.728 1.935 -4.489 1.00 . A A . 6 LYS HE3 1 1 20 5481 1 1 6 LYS HG2 H 6.394 2.493 -2.015 1.00 . A A . 6 LYS HG2 1 1 20 5482 1 1 6 LYS HG3 H 4.864 1.736 -2.452 1.00 . A A . 6 LYS HG3 1 1 20 5483 1 1 6 LYS HZ1 H 5.575 3.015 -6.351 1.00 . A A . 6 LYS HZ1 1 1 20 5484 1 1 6 LYS HZ2 H 6.401 4.455 -6.026 1.00 . A A . 6 LYS HZ2 1 1 20 5485 1 1 6 LYS HZ3 H 7.258 3.082 -6.518 1.00 . A A . 6 LYS HZ3 1 1 20 5486 1 1 6 LYS N N 2.890 3.088 0.457 1.00 . A A . 6 LYS N 1 1 20 5487 1 1 6 LYS NZ N 6.449 3.419 -5.957 1.00 . A A . 6 LYS NZ 1 1 20 5488 1 1 6 LYS O O 5.239 3.823 1.959 1.00 . A A . 6 LYS O 1 1 20 5489 1 1 7 THR C C 8.832 1.956 1.387 1.00 . A A . 7 THR C 1 1 20 5490 1 1 7 THR CA C 7.468 1.763 2.114 1.00 . A A . 7 THR CA 1 1 20 5491 1 1 7 THR CB C 7.493 0.402 2.906 1.00 . A A . 7 THR CB 1 1 20 5492 1 1 7 THR CG2 C 6.531 0.407 4.098 1.00 . A A . 7 THR CG2 1 1 20 5493 1 1 7 THR H H 6.259 1.169 0.457 1.00 . A A . 7 THR H 1 1 20 5494 1 1 7 THR HA H 7.358 2.564 2.833 1.00 . A A . 7 THR HA 1 1 20 5495 1 1 7 THR HB H 8.493 0.260 3.286 1.00 . A A . 7 THR HB 1 1 20 5496 1 1 7 THR HG1 H 7.971 -1.225 1.903 1.00 . A A . 7 THR HG1 1 1 20 5497 1 1 7 THR HG21 H 5.647 0.977 3.850 1.00 . A A . 7 THR HG21 1 1 20 5498 1 1 7 THR HG22 H 6.248 -0.609 4.333 1.00 . A A . 7 THR HG22 1 1 20 5499 1 1 7 THR HG23 H 7.018 0.852 4.952 1.00 . A A . 7 THR HG23 1 1 20 5500 1 1 7 THR N N 6.310 1.866 1.150 1.00 . A A . 7 THR N 1 1 20 5501 1 1 7 THR O O 8.980 1.516 0.206 1.00 . A A . 7 THR O 1 1 20 5502 1 1 7 THR OG1 O 7.181 -0.702 2.050 1.00 . A A . 7 THR OG1 1 1 20 5503 1 1 8 LEU C C 12.151 1.693 1.429 1.00 . A A . 8 LEU C 1 1 20 5504 1 1 8 LEU CA C 11.227 2.957 1.666 1.00 . A A . 8 LEU CA 1 1 20 5505 1 1 8 LEU CB C 11.883 3.949 2.683 1.00 . A A . 8 LEU CB 1 1 20 5506 1 1 8 LEU CD1 C 11.377 6.477 2.679 1.00 . A A . 8 LEU CD1 1 1 20 5507 1 1 8 LEU CD2 C 13.734 5.697 2.350 1.00 . A A . 8 LEU CD2 1 1 20 5508 1 1 8 LEU CG C 12.261 5.361 2.107 1.00 . A A . 8 LEU CG 1 1 20 5509 1 1 8 LEU H H 9.564 2.916 3.039 1.00 . A A . 8 LEU H 1 1 20 5510 1 1 8 LEU HA H 11.128 3.464 0.718 1.00 . A A . 8 LEU HA 1 1 20 5511 1 1 8 LEU HB2 H 11.192 4.075 3.508 1.00 . A A . 8 LEU HB2 1 1 20 5512 1 1 8 LEU HB3 H 12.776 3.474 3.067 1.00 . A A . 8 LEU HB3 1 1 20 5513 1 1 8 LEU HD11 H 11.413 6.449 3.758 1.00 . A A . 8 LEU HD11 1 1 20 5514 1 1 8 LEU HD12 H 11.736 7.435 2.331 1.00 . A A . 8 LEU HD12 1 1 20 5515 1 1 8 LEU HD13 H 10.359 6.332 2.348 1.00 . A A . 8 LEU HD13 1 1 20 5516 1 1 8 LEU HD21 H 13.952 5.616 3.404 1.00 . A A . 8 LEU HD21 1 1 20 5517 1 1 8 LEU HD22 H 14.355 5.006 1.799 1.00 . A A . 8 LEU HD22 1 1 20 5518 1 1 8 LEU HD23 H 13.933 6.705 2.017 1.00 . A A . 8 LEU HD23 1 1 20 5519 1 1 8 LEU HG H 12.105 5.349 1.036 1.00 . A A . 8 LEU HG 1 1 20 5520 1 1 8 LEU N N 9.813 2.627 2.130 1.00 . A A . 8 LEU N 1 1 20 5521 1 1 8 LEU O O 13.197 1.822 0.716 1.00 . A A . 8 LEU O 1 1 20 5522 1 1 9 ASP C C 12.361 -1.479 0.466 1.00 . A A . 9 ASP C 1 1 20 5523 1 1 9 ASP CA C 12.418 -0.860 1.901 1.00 . A A . 9 ASP CA 1 1 20 5524 1 1 9 ASP CB C 11.839 -1.856 2.938 1.00 . A A . 9 ASP CB 1 1 20 5525 1 1 9 ASP CG C 12.907 -2.704 3.619 1.00 . A A . 9 ASP CG 1 1 20 5526 1 1 9 ASP H H 10.873 0.510 2.506 1.00 . A A . 9 ASP H 1 1 20 5527 1 1 9 ASP HA H 13.457 -0.689 2.143 1.00 . A A . 9 ASP HA 1 1 20 5528 1 1 9 ASP HB2 H 11.311 -1.302 3.700 1.00 . A A . 9 ASP HB2 1 1 20 5529 1 1 9 ASP HB3 H 11.146 -2.518 2.439 1.00 . A A . 9 ASP HB3 1 1 20 5530 1 1 9 ASP N N 11.718 0.485 2.005 1.00 . A A . 9 ASP N 1 1 20 5531 1 1 9 ASP O O 13.384 -2.092 0.050 1.00 . A A . 9 ASP O 1 1 20 5532 1 1 9 ASP OD1 O 13.222 -3.800 3.100 1.00 . A A . 9 ASP OD1 1 1 20 5533 1 1 9 ASP OD2 O 13.419 -2.280 4.682 1.00 . A A . 9 ASP OD2 1 1 20 5534 1 1 10 GLY C C 9.823 -2.823 -1.735 1.00 . A A . 10 GLY C 1 1 20 5535 1 1 10 GLY CA C 10.916 -1.759 -1.637 1.00 . A A . 10 GLY CA 1 1 20 5536 1 1 10 GLY H H 10.459 -0.762 0.192 1.00 . A A . 10 GLY H 1 1 20 5537 1 1 10 GLY HA2 H 11.836 -2.170 -2.032 1.00 . A A . 10 GLY HA2 1 1 20 5538 1 1 10 GLY HA3 H 10.629 -0.917 -2.247 1.00 . A A . 10 GLY HA3 1 1 20 5539 1 1 10 GLY N N 11.172 -1.276 -0.250 1.00 . A A . 10 GLY N 1 1 20 5540 1 1 10 GLY O O 10.081 -3.878 -2.370 1.00 . A A . 10 GLY O 1 1 20 5541 1 1 11 LYS C C 6.073 -2.538 -1.168 1.00 . A A . 11 LYS C 1 1 20 5542 1 1 11 LYS CA C 7.373 -3.395 -1.081 1.00 . A A . 11 LYS CA 1 1 20 5543 1 1 11 LYS CB C 7.330 -4.429 0.138 1.00 . A A . 11 LYS CB 1 1 20 5544 1 1 11 LYS CD C 8.274 -4.964 2.473 1.00 . A A . 11 LYS CD 1 1 20 5545 1 1 11 LYS CE C 8.128 -4.636 3.952 1.00 . A A . 11 LYS CE 1 1 20 5546 1 1 11 LYS CG C 7.619 -3.907 1.585 1.00 . A A . 11 LYS CG 1 1 20 5547 1 1 11 LYS H H 8.541 -1.646 -0.654 1.00 . A A . 11 LYS H 1 1 20 5548 1 1 11 LYS HA H 7.415 -3.975 -1.997 1.00 . A A . 11 LYS HA 1 1 20 5549 1 1 11 LYS HB2 H 6.347 -4.870 0.157 1.00 . A A . 11 LYS HB2 1 1 20 5550 1 1 11 LYS HB3 H 8.041 -5.215 -0.084 1.00 . A A . 11 LYS HB3 1 1 20 5551 1 1 11 LYS HD2 H 7.810 -5.919 2.280 1.00 . A A . 11 LYS HD2 1 1 20 5552 1 1 11 LYS HD3 H 9.325 -5.016 2.228 1.00 . A A . 11 LYS HD3 1 1 20 5553 1 1 11 LYS HE2 H 8.793 -3.820 4.195 1.00 . A A . 11 LYS HE2 1 1 20 5554 1 1 11 LYS HE3 H 7.108 -4.337 4.144 1.00 . A A . 11 LYS HE3 1 1 20 5555 1 1 11 LYS HG2 H 8.277 -3.055 1.520 1.00 . A A . 11 LYS HG2 1 1 20 5556 1 1 11 LYS HG3 H 6.681 -3.601 2.031 1.00 . A A . 11 LYS HG3 1 1 20 5557 1 1 11 LYS HZ1 H 9.437 -6.115 4.633 1.00 . A A . 11 LYS HZ1 1 1 20 5558 1 1 11 LYS HZ2 H 8.376 -5.542 5.819 1.00 . A A . 11 LYS HZ2 1 1 20 5559 1 1 11 LYS HZ3 H 7.814 -6.592 4.616 1.00 . A A . 11 LYS HZ3 1 1 20 5560 1 1 11 LYS N N 8.610 -2.514 -1.111 1.00 . A A . 11 LYS N 1 1 20 5561 1 1 11 LYS NZ N 8.462 -5.803 4.815 1.00 . A A . 11 LYS NZ 1 1 20 5562 1 1 11 LYS O O 5.960 -1.518 -0.427 1.00 . A A . 11 LYS O 1 1 20 5563 1 1 12 THR C C 2.620 -3.272 -1.983 1.00 . A A . 12 THR C 1 1 20 5564 1 1 12 THR CA C 3.797 -2.331 -2.361 1.00 . A A . 12 THR CA 1 1 20 5565 1 1 12 THR CB C 3.629 -1.831 -3.845 1.00 . A A . 12 THR CB 1 1 20 5566 1 1 12 THR CG2 C 4.339 -0.496 -4.086 1.00 . A A . 12 THR CG2 1 1 20 5567 1 1 12 THR H H 5.341 -3.793 -2.609 1.00 . A A . 12 THR H 1 1 20 5568 1 1 12 THR HA H 3.740 -1.462 -1.714 1.00 . A A . 12 THR HA 1 1 20 5569 1 1 12 THR HB H 2.574 -1.682 -4.022 1.00 . A A . 12 THR HB 1 1 20 5570 1 1 12 THR HG1 H 3.559 -3.592 -4.740 1.00 . A A . 12 THR HG1 1 1 20 5571 1 1 12 THR HG21 H 3.932 0.254 -3.423 1.00 . A A . 12 THR HG21 1 1 20 5572 1 1 12 THR HG22 H 5.395 -0.610 -3.894 1.00 . A A . 12 THR HG22 1 1 20 5573 1 1 12 THR HG23 H 4.191 -0.189 -5.111 1.00 . A A . 12 THR HG23 1 1 20 5574 1 1 12 THR N N 5.129 -2.986 -2.089 1.00 . A A . 12 THR N 1 1 20 5575 1 1 12 THR O O 2.652 -4.495 -2.331 1.00 . A A . 12 THR O 1 1 20 5576 1 1 12 THR OG1 O 4.112 -2.808 -4.781 1.00 . A A . 12 THR OG1 1 1 20 5577 1 1 13 ILE C C -0.855 -2.336 -0.651 1.00 . A A . 13 ILE C 1 1 20 5578 1 1 13 ILE CA C 0.336 -3.337 -0.733 1.00 . A A . 13 ILE CA 1 1 20 5579 1 1 13 ILE CB C 0.484 -4.143 0.660 1.00 . A A . 13 ILE CB 1 1 20 5580 1 1 13 ILE CD1 C 0.474 -3.156 3.095 1.00 . A A . 13 ILE CD1 1 1 20 5581 1 1 13 ILE CG1 C 1.279 -3.383 1.820 1.00 . A A . 13 ILE CG1 1 1 20 5582 1 1 13 ILE CG2 C 1.108 -5.524 0.396 1.00 . A A . 13 ILE CG2 1 1 20 5583 1 1 13 ILE H H 1.703 -1.707 -1.030 1.00 . A A . 13 ILE H 1 1 20 5584 1 1 13 ILE HA H 0.067 -4.063 -1.493 1.00 . A A . 13 ILE HA 1 1 20 5585 1 1 13 ILE HB H -0.526 -4.333 1.003 1.00 . A A . 13 ILE HB 1 1 20 5586 1 1 13 ILE HD11 H 0.041 -4.096 3.411 1.00 . A A . 13 ILE HD11 1 1 20 5587 1 1 13 ILE HD12 H 1.124 -2.780 3.870 1.00 . A A . 13 ILE HD12 1 1 20 5588 1 1 13 ILE HD13 H -0.313 -2.442 2.903 1.00 . A A . 13 ILE HD13 1 1 20 5589 1 1 13 ILE HG12 H 2.165 -3.940 2.092 1.00 . A A . 13 ILE HG12 1 1 20 5590 1 1 13 ILE HG13 H 1.581 -2.413 1.450 1.00 . A A . 13 ILE HG13 1 1 20 5591 1 1 13 ILE HG21 H 2.059 -5.402 -0.100 1.00 . A A . 13 ILE HG21 1 1 20 5592 1 1 13 ILE HG22 H 1.255 -6.032 1.338 1.00 . A A . 13 ILE HG22 1 1 20 5593 1 1 13 ILE HG23 H 0.446 -6.105 -0.229 1.00 . A A . 13 ILE HG23 1 1 20 5594 1 1 13 ILE N N 1.601 -2.660 -1.247 1.00 . A A . 13 ILE N 1 1 20 5595 1 1 13 ILE O O -0.651 -1.181 -0.175 1.00 . A A . 13 ILE O 1 1 20 5596 1 1 14 THR C C -4.161 -2.229 0.187 1.00 . A A . 14 THR C 1 1 20 5597 1 1 14 THR CA C -3.372 -2.055 -1.141 1.00 . A A . 14 THR CA 1 1 20 5598 1 1 14 THR CB C -4.326 -2.443 -2.340 1.00 . A A . 14 THR CB 1 1 20 5599 1 1 14 THR CG2 C -3.876 -1.869 -3.670 1.00 . A A . 14 THR CG2 1 1 20 5600 1 1 14 THR H H -2.097 -3.747 -1.462 1.00 . A A . 14 THR H 1 1 20 5601 1 1 14 THR HA H -3.118 -1.009 -1.245 1.00 . A A . 14 THR HA 1 1 20 5602 1 1 14 THR HB H -5.302 -2.022 -2.123 1.00 . A A . 14 THR HB 1 1 20 5603 1 1 14 THR HG1 H -5.358 -4.126 -2.267 1.00 . A A . 14 THR HG1 1 1 20 5604 1 1 14 THR HG21 H -3.444 -0.893 -3.514 1.00 . A A . 14 THR HG21 1 1 20 5605 1 1 14 THR HG22 H -3.145 -2.524 -4.117 1.00 . A A . 14 THR HG22 1 1 20 5606 1 1 14 THR HG23 H -4.734 -1.781 -4.324 1.00 . A A . 14 THR HG23 1 1 20 5607 1 1 14 THR N N -2.072 -2.825 -1.120 1.00 . A A . 14 THR N 1 1 20 5608 1 1 14 THR O O -4.188 -3.370 0.757 1.00 . A A . 14 THR O 1 1 20 5609 1 1 14 THR OG1 O -4.453 -3.868 -2.458 1.00 . A A . 14 THR OG1 1 1 20 5610 1 1 15 LEU C C -7.164 -0.847 1.330 1.00 . A A . 15 LEU C 1 1 20 5611 1 1 15 LEU CA C -5.693 -1.005 1.824 1.00 . A A . 15 LEU CA 1 1 20 5612 1 1 15 LEU CB C -5.208 0.109 2.808 1.00 . A A . 15 LEU CB 1 1 20 5613 1 1 15 LEU CD1 C -3.735 -0.159 4.892 1.00 . A A . 15 LEU CD1 1 1 20 5614 1 1 15 LEU CD2 C -6.134 0.482 5.174 1.00 . A A . 15 LEU CD2 1 1 20 5615 1 1 15 LEU CG C -5.143 -0.311 4.317 1.00 . A A . 15 LEU CG 1 1 20 5616 1 1 15 LEU H H -4.754 -0.272 0.071 1.00 . A A . 15 LEU H 1 1 20 5617 1 1 15 LEU HA H -5.618 -1.966 2.321 1.00 . A A . 15 LEU HA 1 1 20 5618 1 1 15 LEU HB2 H -4.223 0.425 2.480 1.00 . A A . 15 LEU HB2 1 1 20 5619 1 1 15 LEU HB3 H -5.877 0.953 2.703 1.00 . A A . 15 LEU HB3 1 1 20 5620 1 1 15 LEU HD11 H -3.022 -0.625 4.228 1.00 . A A . 15 LEU HD11 1 1 20 5621 1 1 15 LEU HD12 H -3.499 0.890 4.993 1.00 . A A . 15 LEU HD12 1 1 20 5622 1 1 15 LEU HD13 H -3.688 -0.635 5.860 1.00 . A A . 15 LEU HD13 1 1 20 5623 1 1 15 LEU HD21 H -5.930 1.537 5.078 1.00 . A A . 15 LEU HD21 1 1 20 5624 1 1 15 LEU HD22 H -7.142 0.278 4.839 1.00 . A A . 15 LEU HD22 1 1 20 5625 1 1 15 LEU HD23 H -6.033 0.186 6.208 1.00 . A A . 15 LEU HD23 1 1 20 5626 1 1 15 LEU HG H -5.408 -1.357 4.399 1.00 . A A . 15 LEU HG 1 1 20 5627 1 1 15 LEU N N -4.829 -1.084 0.622 1.00 . A A . 15 LEU N 1 1 20 5628 1 1 15 LEU O O -7.568 0.250 0.802 1.00 . A A . 15 LEU O 1 1 20 5629 1 1 16 GLU C C -10.264 -2.688 2.113 1.00 . A A . 16 GLU C 1 1 20 5630 1 1 16 GLU CA C -9.331 -2.178 0.979 1.00 . A A . 16 GLU CA 1 1 20 5631 1 1 16 GLU CB C -9.374 -3.131 -0.239 1.00 . A A . 16 GLU CB 1 1 20 5632 1 1 16 GLU CD C -9.857 -3.201 -2.753 1.00 . A A . 16 GLU CD 1 1 20 5633 1 1 16 GLU CG C -9.222 -2.431 -1.599 1.00 . A A . 16 GLU CG 1 1 20 5634 1 1 16 GLU H H -7.478 -2.814 1.803 1.00 . A A . 16 GLU H 1 1 20 5635 1 1 16 GLU HA H -9.677 -1.203 0.668 1.00 . A A . 16 GLU HA 1 1 20 5636 1 1 16 GLU HB2 H -8.571 -3.848 -0.145 1.00 . A A . 16 GLU HB2 1 1 20 5637 1 1 16 GLU HB3 H -10.316 -3.658 -0.236 1.00 . A A . 16 GLU HB3 1 1 20 5638 1 1 16 GLU HG2 H -9.688 -1.458 -1.542 1.00 . A A . 16 GLU HG2 1 1 20 5639 1 1 16 GLU HG3 H -8.166 -2.305 -1.809 1.00 . A A . 16 GLU HG3 1 1 20 5640 1 1 16 GLU N N -7.917 -2.015 1.437 1.00 . A A . 16 GLU N 1 1 20 5641 1 1 16 GLU O O -9.827 -3.535 2.955 1.00 . A A . 16 GLU O 1 1 20 5642 1 1 16 GLU OE1 O -9.155 -4.029 -3.378 1.00 . A A . 16 GLU OE1 1 1 20 5643 1 1 16 GLU OE2 O -11.053 -2.962 -3.045 1.00 . A A . 16 GLU OE2 1 1 20 5644 1 1 17 VAL C C -13.510 -3.667 2.534 1.00 . A A . 17 VAL C 1 1 20 5645 1 1 17 VAL CA C -12.644 -2.459 3.066 1.00 . A A . 17 VAL CA 1 1 20 5646 1 1 17 VAL CB C -13.446 -1.099 3.480 1.00 . A A . 17 VAL CB 1 1 20 5647 1 1 17 VAL CG1 C -14.374 -0.468 2.399 1.00 . A A . 17 VAL CG1 1 1 20 5648 1 1 17 VAL CG2 C -14.203 -1.239 4.817 1.00 . A A . 17 VAL CG2 1 1 20 5649 1 1 17 VAL H H -11.763 -1.494 1.388 1.00 . A A . 17 VAL H 1 1 20 5650 1 1 17 VAL HA H -12.144 -2.812 3.962 1.00 . A A . 17 VAL HA 1 1 20 5651 1 1 17 VAL HB H -12.676 -0.361 3.656 1.00 . A A . 17 VAL HB 1 1 20 5652 1 1 17 VAL HG11 H -15.101 -1.199 2.076 1.00 . A A . 17 VAL HG11 1 1 20 5653 1 1 17 VAL HG12 H -14.885 0.387 2.818 1.00 . A A . 17 VAL HG12 1 1 20 5654 1 1 17 VAL HG13 H -13.780 -0.154 1.553 1.00 . A A . 17 VAL HG13 1 1 20 5655 1 1 17 VAL HG21 H -13.627 -1.850 5.496 1.00 . A A . 17 VAL HG21 1 1 20 5656 1 1 17 VAL HG22 H -14.350 -0.261 5.252 1.00 . A A . 17 VAL HG22 1 1 20 5657 1 1 17 VAL HG23 H -15.162 -1.703 4.641 1.00 . A A . 17 VAL HG23 1 1 20 5658 1 1 17 VAL N N -11.550 -2.143 2.096 1.00 . A A . 17 VAL N 1 1 20 5659 1 1 17 VAL O O -13.660 -4.656 3.280 1.00 . A A . 17 VAL O 1 1 20 5660 1 1 17 VAL OXT O -14.009 -3.585 1.390 1.00 . A A . 17 VAL OXT 1 1 21 5661 1 1 1 MET C C -11.597 1.198 -1.582 1.00 . A A . 1 MET C 1 1 21 5662 1 1 1 MET CA C -13.056 1.702 -1.382 1.00 . A A . 1 MET CA 1 1 21 5663 1 1 1 MET CB C -13.246 2.303 0.036 1.00 . A A . 1 MET CB 1 1 21 5664 1 1 1 MET CE C -15.659 4.974 0.747 1.00 . A A . 1 MET CE 1 1 21 5665 1 1 1 MET CG C -13.197 3.834 0.103 1.00 . A A . 1 MET CG 1 1 21 5666 1 1 1 MET H1 H -13.946 0.177 -2.506 1.00 . A A . 1 MET H1 1 1 21 5667 1 1 1 MET H2 H -13.929 -0.121 -0.840 1.00 . A A . 1 MET H2 1 1 21 5668 1 1 1 MET H3 H -15.023 0.994 -1.488 1.00 . A A . 1 MET H3 1 1 21 5669 1 1 1 MET HA H -13.259 2.464 -2.119 1.00 . A A . 1 MET HA 1 1 21 5670 1 1 1 MET HB2 H -14.207 1.990 0.418 1.00 . A A . 1 MET HB2 1 1 21 5671 1 1 1 MET HB3 H -12.470 1.915 0.683 1.00 . A A . 1 MET HB3 1 1 21 5672 1 1 1 MET HE1 H -16.050 4.129 0.196 1.00 . A A . 1 MET HE1 1 1 21 5673 1 1 1 MET HE2 H -16.364 5.264 1.510 1.00 . A A . 1 MET HE2 1 1 21 5674 1 1 1 MET HE3 H -15.493 5.800 0.073 1.00 . A A . 1 MET HE3 1 1 21 5675 1 1 1 MET HG2 H -12.163 4.142 0.184 1.00 . A A . 1 MET HG2 1 1 21 5676 1 1 1 MET HG3 H -13.621 4.235 -0.806 1.00 . A A . 1 MET HG3 1 1 21 5677 1 1 1 MET N N -14.059 0.611 -1.567 1.00 . A A . 1 MET N 1 1 21 5678 1 1 1 MET O O -11.264 0.041 -1.165 1.00 . A A . 1 MET O 1 1 21 5679 1 1 1 MET SD S -14.106 4.504 1.514 1.00 . A A . 1 MET SD 1 1 21 5680 1 1 2 GLN C C -8.478 3.119 -1.997 1.00 . A A . 2 GLN C 1 1 21 5681 1 1 2 GLN CA C -9.306 1.907 -2.498 1.00 . A A . 2 GLN CA 1 1 21 5682 1 1 2 GLN CB C -9.051 1.626 -4.006 1.00 . A A . 2 GLN CB 1 1 21 5683 1 1 2 GLN CD C -9.171 -0.111 -5.880 1.00 . A A . 2 GLN CD 1 1 21 5684 1 1 2 GLN CG C -9.021 0.143 -4.377 1.00 . A A . 2 GLN CG 1 1 21 5685 1 1 2 GLN H H -11.134 2.985 -2.470 1.00 . A A . 2 GLN H 1 1 21 5686 1 1 2 GLN HA H -8.996 1.042 -1.925 1.00 . A A . 2 GLN HA 1 1 21 5687 1 1 2 GLN HB2 H -9.825 2.103 -4.586 1.00 . A A . 2 GLN HB2 1 1 21 5688 1 1 2 GLN HB3 H -8.096 2.055 -4.275 1.00 . A A . 2 GLN HB3 1 1 21 5689 1 1 2 GLN HE21 H -7.179 -0.092 -6.155 1.00 . A A . 2 GLN HE21 1 1 21 5690 1 1 2 GLN HE22 H -8.136 -0.358 -7.569 1.00 . A A . 2 GLN HE22 1 1 21 5691 1 1 2 GLN HG2 H -8.075 -0.273 -4.055 1.00 . A A . 2 GLN HG2 1 1 21 5692 1 1 2 GLN HG3 H -9.825 -0.359 -3.861 1.00 . A A . 2 GLN HG3 1 1 21 5693 1 1 2 GLN N N -10.754 2.116 -2.209 1.00 . A A . 2 GLN N 1 1 21 5694 1 1 2 GLN NE2 N -8.046 -0.195 -6.608 1.00 . A A . 2 GLN NE2 1 1 21 5695 1 1 2 GLN O O -8.824 4.308 -2.306 1.00 . A A . 2 GLN O 1 1 21 5696 1 1 2 GLN OE1 O -10.289 -0.247 -6.387 1.00 . A A . 2 GLN OE1 1 1 21 5697 1 1 3 ILE C C -5.027 3.031 -0.460 1.00 . A A . 3 ILE C 1 1 21 5698 1 1 3 ILE CA C -6.410 3.726 -0.558 1.00 . A A . 3 ILE CA 1 1 21 5699 1 1 3 ILE CB C -6.868 4.400 0.844 1.00 . A A . 3 ILE CB 1 1 21 5700 1 1 3 ILE CD1 C -6.918 3.242 3.198 1.00 . A A . 3 ILE CD1 1 1 21 5701 1 1 3 ILE CG1 C -7.607 3.417 1.855 1.00 . A A . 3 ILE CG1 1 1 21 5702 1 1 3 ILE CG2 C -7.740 5.634 0.551 1.00 . A A . 3 ILE CG2 1 1 21 5703 1 1 3 ILE H H -7.246 1.817 -1.020 1.00 . A A . 3 ILE H 1 1 21 5704 1 1 3 ILE HA H -6.284 4.532 -1.276 1.00 . A A . 3 ILE HA 1 1 21 5705 1 1 3 ILE HB H -5.965 4.769 1.313 1.00 . A A . 3 ILE HB 1 1 21 5706 1 1 3 ILE HD11 H -6.548 4.195 3.540 1.00 . A A . 3 ILE HD11 1 1 21 5707 1 1 3 ILE HD12 H -7.629 2.852 3.913 1.00 . A A . 3 ILE HD12 1 1 21 5708 1 1 3 ILE HD13 H -6.096 2.550 3.093 1.00 . A A . 3 ILE HD13 1 1 21 5709 1 1 3 ILE HG21 H -7.194 6.319 -0.078 1.00 . A A . 3 ILE HG21 1 1 21 5710 1 1 3 ILE HG22 H -8.644 5.324 0.049 1.00 . A A . 3 ILE HG22 1 1 21 5711 1 1 3 ILE HG23 H -7.994 6.123 1.481 1.00 . A A . 3 ILE HG23 1 1 21 5712 1 1 3 ILE N N -7.393 2.774 -1.197 1.00 . A A . 3 ILE N 1 1 21 5713 1 1 3 ILE O O -4.921 1.935 0.170 1.00 . A A . 3 ILE O 1 1 21 5714 1 1 4 PHE C C -1.672 3.680 -0.151 1.00 . A A . 4 PHE C 1 1 21 5715 1 1 4 PHE CA C -2.599 3.196 -1.293 1.00 . A A . 4 PHE CA 1 1 21 5716 1 1 4 PHE CB C -2.038 3.636 -2.689 1.00 . A A . 4 PHE CB 1 1 21 5717 1 1 4 PHE CD1 C -3.354 2.374 -4.677 1.00 . A A . 4 PHE CD1 1 1 21 5718 1 1 4 PHE CD2 C -0.827 1.816 -4.194 1.00 . A A . 4 PHE CD2 1 1 21 5719 1 1 4 PHE CE1 C -3.357 1.385 -5.820 1.00 . A A . 4 PHE CE1 1 1 21 5720 1 1 4 PHE CE2 C -0.830 0.834 -5.349 1.00 . A A . 4 PHE CE2 1 1 21 5721 1 1 4 PHE CG C -2.082 2.605 -3.831 1.00 . A A . 4 PHE CG 1 1 21 5722 1 1 4 PHE CZ C -2.093 0.617 -6.161 1.00 . A A . 4 PHE CZ 1 1 21 5723 1 1 4 PHE H H -4.249 4.500 -1.644 1.00 . A A . 4 PHE H 1 1 21 5724 1 1 4 PHE HA H -2.625 2.117 -1.266 1.00 . A A . 4 PHE HA 1 1 21 5725 1 1 4 PHE HB2 H -2.596 4.494 -3.022 1.00 . A A . 4 PHE HB2 1 1 21 5726 1 1 4 PHE HB3 H -1.006 3.930 -2.560 1.00 . A A . 4 PHE HB3 1 1 21 5727 1 1 4 PHE HD1 H -4.257 2.914 -4.434 1.00 . A A . 4 PHE HD1 1 1 21 5728 1 1 4 PHE HD2 H 0.073 1.960 -3.615 1.00 . A A . 4 PHE HD2 1 1 21 5729 1 1 4 PHE HE1 H -4.258 1.224 -6.390 1.00 . A A . 4 PHE HE1 1 1 21 5730 1 1 4 PHE HE2 H 0.066 0.283 -5.590 1.00 . A A . 4 PHE HE2 1 1 21 5731 1 1 4 PHE HZ H -2.093 -0.083 -6.983 1.00 . A A . 4 PHE HZ 1 1 21 5732 1 1 4 PHE N N -4.014 3.674 -1.160 1.00 . A A . 4 PHE N 1 1 21 5733 1 1 4 PHE O O -1.816 4.845 0.328 1.00 . A A . 4 PHE O 1 1 21 5734 1 1 5 VAL C C 1.643 2.184 0.902 1.00 . A A . 5 VAL C 1 1 21 5735 1 1 5 VAL CA C 0.335 2.927 1.312 1.00 . A A . 5 VAL CA 1 1 21 5736 1 1 5 VAL CB C -0.114 2.552 2.821 1.00 . A A . 5 VAL CB 1 1 21 5737 1 1 5 VAL CG1 C -0.927 3.688 3.428 1.00 . A A . 5 VAL CG1 1 1 21 5738 1 1 5 VAL CG2 C -0.897 1.212 3.000 1.00 . A A . 5 VAL CG2 1 1 21 5739 1 1 5 VAL H H -0.714 1.875 -0.223 1.00 . A A . 5 VAL H 1 1 21 5740 1 1 5 VAL HA H 0.573 3.987 1.303 1.00 . A A . 5 VAL HA 1 1 21 5741 1 1 5 VAL HB H 0.796 2.475 3.405 1.00 . A A . 5 VAL HB 1 1 21 5742 1 1 5 VAL HG11 H -0.342 4.597 3.413 1.00 . A A . 5 VAL HG11 1 1 21 5743 1 1 5 VAL HG12 H -1.830 3.831 2.855 1.00 . A A . 5 VAL HG12 1 1 21 5744 1 1 5 VAL HG13 H -1.183 3.442 4.448 1.00 . A A . 5 VAL HG13 1 1 21 5745 1 1 5 VAL HG21 H -0.395 0.427 2.455 1.00 . A A . 5 VAL HG21 1 1 21 5746 1 1 5 VAL HG22 H -0.937 0.957 4.048 1.00 . A A . 5 VAL HG22 1 1 21 5747 1 1 5 VAL HG23 H -1.901 1.329 2.620 1.00 . A A . 5 VAL HG23 1 1 21 5748 1 1 5 VAL N N -0.718 2.742 0.242 1.00 . A A . 5 VAL N 1 1 21 5749 1 1 5 VAL O O 1.574 0.964 0.550 1.00 . A A . 5 VAL O 1 1 21 5750 1 1 6 LYS C C 5.197 2.651 1.705 1.00 . A A . 6 LYS C 1 1 21 5751 1 1 6 LYS CA C 4.168 2.486 0.552 1.00 . A A . 6 LYS CA 1 1 21 5752 1 1 6 LYS CB C 4.655 3.225 -0.720 1.00 . A A . 6 LYS CB 1 1 21 5753 1 1 6 LYS CD C 5.005 3.125 -3.222 1.00 . A A . 6 LYS CD 1 1 21 5754 1 1 6 LYS CE C 4.353 2.748 -4.544 1.00 . A A . 6 LYS CE 1 1 21 5755 1 1 6 LYS CG C 4.231 2.568 -2.034 1.00 . A A . 6 LYS CG 1 1 21 5756 1 1 6 LYS H H 2.711 3.902 1.201 1.00 . A A . 6 LYS H 1 1 21 5757 1 1 6 LYS HA H 4.088 1.428 0.326 1.00 . A A . 6 LYS HA 1 1 21 5758 1 1 6 LYS HB2 H 4.263 4.231 -0.706 1.00 . A A . 6 LYS HB2 1 1 21 5759 1 1 6 LYS HB3 H 5.734 3.271 -0.698 1.00 . A A . 6 LYS HB3 1 1 21 5760 1 1 6 LYS HD2 H 5.040 4.201 -3.145 1.00 . A A . 6 LYS HD2 1 1 21 5761 1 1 6 LYS HD3 H 6.008 2.727 -3.200 1.00 . A A . 6 LYS HD3 1 1 21 5762 1 1 6 LYS HE2 H 4.410 1.677 -4.667 1.00 . A A . 6 LYS HE2 1 1 21 5763 1 1 6 LYS HE3 H 3.317 3.054 -4.520 1.00 . A A . 6 LYS HE3 1 1 21 5764 1 1 6 LYS HG2 H 4.411 1.506 -1.968 1.00 . A A . 6 LYS HG2 1 1 21 5765 1 1 6 LYS HG3 H 3.175 2.745 -2.186 1.00 . A A . 6 LYS HG3 1 1 21 5766 1 1 6 LYS HZ1 H 6.024 3.119 -5.741 1.00 . A A . 6 LYS HZ1 1 1 21 5767 1 1 6 LYS HZ2 H 4.559 3.126 -6.589 1.00 . A A . 6 LYS HZ2 1 1 21 5768 1 1 6 LYS HZ3 H 4.974 4.437 -5.605 1.00 . A A . 6 LYS HZ3 1 1 21 5769 1 1 6 LYS N N 2.797 2.961 0.930 1.00 . A A . 6 LYS N 1 1 21 5770 1 1 6 LYS NZ N 5.024 3.403 -5.700 1.00 . A A . 6 LYS NZ 1 1 21 5771 1 1 6 LYS O O 5.139 3.669 2.463 1.00 . A A . 6 LYS O 1 1 21 5772 1 1 7 THR C C 8.568 2.201 2.290 1.00 . A A . 7 THR C 1 1 21 5773 1 1 7 THR CA C 7.258 1.519 2.798 1.00 . A A . 7 THR CA 1 1 21 5774 1 1 7 THR CB C 7.579 0.032 3.200 1.00 . A A . 7 THR CB 1 1 21 5775 1 1 7 THR CG2 C 6.638 -0.484 4.290 1.00 . A A . 7 THR CG2 1 1 21 5776 1 1 7 THR H H 6.069 0.891 1.134 1.00 . A A . 7 THR H 1 1 21 5777 1 1 7 THR HA H 6.937 2.043 3.688 1.00 . A A . 7 THR HA 1 1 21 5778 1 1 7 THR HB H 8.582 0.017 3.590 1.00 . A A . 7 THR HB 1 1 21 5779 1 1 7 THR HG1 H 8.428 -1.072 1.800 1.00 . A A . 7 THR HG1 1 1 21 5780 1 1 7 THR HG21 H 6.561 0.251 5.077 1.00 . A A . 7 THR HG21 1 1 21 5781 1 1 7 THR HG22 H 5.660 -0.663 3.867 1.00 . A A . 7 THR HG22 1 1 21 5782 1 1 7 THR HG23 H 7.026 -1.406 4.696 1.00 . A A . 7 THR HG23 1 1 21 5783 1 1 7 THR N N 6.132 1.621 1.792 1.00 . A A . 7 THR N 1 1 21 5784 1 1 7 THR O O 9.364 2.706 3.131 1.00 . A A . 7 THR O 1 1 21 5785 1 1 7 THR OG1 O 7.533 -0.848 2.069 1.00 . A A . 7 THR OG1 1 1 21 5786 1 1 8 LEU C C 11.259 1.907 0.145 1.00 . A A . 8 LEU C 1 1 21 5787 1 1 8 LEU CA C 9.955 2.805 0.079 1.00 . A A . 8 LEU CA 1 1 21 5788 1 1 8 LEU CB C 10.259 4.332 0.416 1.00 . A A . 8 LEU CB 1 1 21 5789 1 1 8 LEU CD1 C 8.422 6.124 0.542 1.00 . A A . 8 LEU CD1 1 1 21 5790 1 1 8 LEU CD2 C 10.263 6.376 -1.132 1.00 . A A . 8 LEU CD2 1 1 21 5791 1 1 8 LEU CG C 9.393 5.373 -0.372 1.00 . A A . 8 LEU CG 1 1 21 5792 1 1 8 LEU H H 8.068 1.792 0.346 1.00 . A A . 8 LEU H 1 1 21 5793 1 1 8 LEU HA H 9.630 2.770 -0.955 1.00 . A A . 8 LEU HA 1 1 21 5794 1 1 8 LEU HB2 H 10.106 4.471 1.481 1.00 . A A . 8 LEU HB2 1 1 21 5795 1 1 8 LEU HB3 H 11.305 4.509 0.206 1.00 . A A . 8 LEU HB3 1 1 21 5796 1 1 8 LEU HD11 H 7.891 5.417 1.161 1.00 . A A . 8 LEU HD11 1 1 21 5797 1 1 8 LEU HD12 H 8.976 6.807 1.169 1.00 . A A . 8 LEU HD12 1 1 21 5798 1 1 8 LEU HD13 H 7.717 6.678 -0.059 1.00 . A A . 8 LEU HD13 1 1 21 5799 1 1 8 LEU HD21 H 10.894 5.848 -1.832 1.00 . A A . 8 LEU HD21 1 1 21 5800 1 1 8 LEU HD22 H 9.630 7.067 -1.669 1.00 . A A . 8 LEU HD22 1 1 21 5801 1 1 8 LEU HD23 H 10.879 6.921 -0.432 1.00 . A A . 8 LEU HD23 1 1 21 5802 1 1 8 LEU HG H 8.797 4.843 -1.103 1.00 . A A . 8 LEU HG 1 1 21 5803 1 1 8 LEU N N 8.770 2.216 0.881 1.00 . A A . 8 LEU N 1 1 21 5804 1 1 8 LEU O O 12.228 2.150 -0.653 1.00 . A A . 8 LEU O 1 1 21 5805 1 1 9 ASP C C 12.473 -1.200 0.110 1.00 . A A . 9 ASP C 1 1 21 5806 1 1 9 ASP CA C 12.342 -0.173 1.280 1.00 . A A . 9 ASP CA 1 1 21 5807 1 1 9 ASP CB C 12.140 -0.913 2.627 1.00 . A A . 9 ASP CB 1 1 21 5808 1 1 9 ASP CG C 13.364 -0.854 3.534 1.00 . A A . 9 ASP CG 1 1 21 5809 1 1 9 ASP H H 10.418 0.722 1.586 1.00 . A A . 9 ASP H 1 1 21 5810 1 1 9 ASP HA H 13.266 0.381 1.335 1.00 . A A . 9 ASP HA 1 1 21 5811 1 1 9 ASP HB2 H 11.310 -0.466 3.151 1.00 . A A . 9 ASP HB2 1 1 21 5812 1 1 9 ASP HB3 H 11.914 -1.950 2.427 1.00 . A A . 9 ASP HB3 1 1 21 5813 1 1 9 ASP N N 11.237 0.839 1.060 1.00 . A A . 9 ASP N 1 1 21 5814 1 1 9 ASP O O 13.637 -1.567 -0.219 1.00 . A A . 9 ASP O 1 1 21 5815 1 1 9 ASP OD1 O 14.222 -1.762 3.442 1.00 . A A . 9 ASP OD1 1 1 21 5816 1 1 9 ASP OD2 O 13.459 0.093 4.348 1.00 . A A . 9 ASP OD2 1 1 21 5817 1 1 10 GLY C C 9.771 -3.087 -1.914 1.00 . A A . 10 GLY C 1 1 21 5818 1 1 10 GLY CA C 11.188 -2.587 -1.626 1.00 . A A . 10 GLY CA 1 1 21 5819 1 1 10 GLY H H 10.433 -1.250 -0.141 1.00 . A A . 10 GLY H 1 1 21 5820 1 1 10 GLY HA2 H 11.817 -3.437 -1.401 1.00 . A A . 10 GLY HA2 1 1 21 5821 1 1 10 GLY HA3 H 11.568 -2.106 -2.514 1.00 . A A . 10 GLY HA3 1 1 21 5822 1 1 10 GLY N N 11.275 -1.623 -0.491 1.00 . A A . 10 GLY N 1 1 21 5823 1 1 10 GLY O O 9.356 -3.035 -3.100 1.00 . A A . 10 GLY O 1 1 21 5824 1 1 11 LYS C C 6.537 -3.073 -0.988 1.00 . A A . 11 LYS C 1 1 21 5825 1 1 11 LYS CA C 7.657 -4.159 -0.841 1.00 . A A . 11 LYS CA 1 1 21 5826 1 1 11 LYS CB C 7.371 -5.126 0.394 1.00 . A A . 11 LYS CB 1 1 21 5827 1 1 11 LYS CD C 6.474 -4.191 2.640 1.00 . A A . 11 LYS CD 1 1 21 5828 1 1 11 LYS CE C 6.732 -4.177 4.140 1.00 . A A . 11 LYS CE 1 1 21 5829 1 1 11 LYS CG C 7.712 -4.636 1.851 1.00 . A A . 11 LYS CG 1 1 21 5830 1 1 11 LYS H H 9.520 -3.578 0.054 1.00 . A A . 11 LYS H 1 1 21 5831 1 1 11 LYS HA H 7.610 -4.764 -1.737 1.00 . A A . 11 LYS HA 1 1 21 5832 1 1 11 LYS HB2 H 6.323 -5.382 0.371 1.00 . A A . 11 LYS HB2 1 1 21 5833 1 1 11 LYS HB3 H 7.930 -6.036 0.223 1.00 . A A . 11 LYS HB3 1 1 21 5834 1 1 11 LYS HD2 H 6.201 -3.195 2.325 1.00 . A A . 11 LYS HD2 1 1 21 5835 1 1 11 LYS HD3 H 5.661 -4.871 2.429 1.00 . A A . 11 LYS HD3 1 1 21 5836 1 1 11 LYS HE2 H 6.981 -5.178 4.458 1.00 . A A . 11 LYS HE2 1 1 21 5837 1 1 11 LYS HE3 H 7.564 -3.518 4.343 1.00 . A A . 11 LYS HE3 1 1 21 5838 1 1 11 LYS HG2 H 8.188 -5.448 2.380 1.00 . A A . 11 LYS HG2 1 1 21 5839 1 1 11 LYS HG3 H 8.400 -3.805 1.781 1.00 . A A . 11 LYS HG3 1 1 21 5840 1 1 11 LYS HZ1 H 5.204 -2.804 4.519 1.00 . A A . 11 LYS HZ1 1 1 21 5841 1 1 11 LYS HZ2 H 4.778 -4.408 4.841 1.00 . A A . 11 LYS HZ2 1 1 21 5842 1 1 11 LYS HZ3 H 5.793 -3.572 5.905 1.00 . A A . 11 LYS HZ3 1 1 21 5843 1 1 11 LYS N N 9.065 -3.584 -0.817 1.00 . A A . 11 LYS N 1 1 21 5844 1 1 11 LYS NZ N 5.543 -3.708 4.905 1.00 . A A . 11 LYS NZ 1 1 21 5845 1 1 11 LYS O O 6.694 -1.952 -0.440 1.00 . A A . 11 LYS O 1 1 21 5846 1 1 12 THR C C 2.905 -3.488 -1.827 1.00 . A A . 12 THR C 1 1 21 5847 1 1 12 THR CA C 4.196 -2.638 -2.010 1.00 . A A . 12 THR CA 1 1 21 5848 1 1 12 THR CB C 4.200 -1.973 -3.439 1.00 . A A . 12 THR CB 1 1 21 5849 1 1 12 THR CG2 C 5.079 -0.720 -3.487 1.00 . A A . 12 THR CG2 1 1 21 5850 1 1 12 THR H H 5.423 -4.386 -2.095 1.00 . A A . 12 THR H 1 1 21 5851 1 1 12 THR HA H 4.178 -1.840 -1.274 1.00 . A A . 12 THR HA 1 1 21 5852 1 1 12 THR HB H 3.186 -1.678 -3.666 1.00 . A A . 12 THR HB 1 1 21 5853 1 1 12 THR HG1 H 4.403 -2.568 -5.313 1.00 . A A . 12 THR HG1 1 1 21 5854 1 1 12 THR HG21 H 4.812 -0.063 -2.673 1.00 . A A . 12 THR HG21 1 1 21 5855 1 1 12 THR HG22 H 6.117 -1.005 -3.395 1.00 . A A . 12 THR HG22 1 1 21 5856 1 1 12 THR HG23 H 4.926 -0.209 -4.426 1.00 . A A . 12 THR HG23 1 1 21 5857 1 1 12 THR N N 5.422 -3.474 -1.728 1.00 . A A . 12 THR N 1 1 21 5858 1 1 12 THR O O 2.844 -4.658 -2.330 1.00 . A A . 12 THR O 1 1 21 5859 1 1 12 THR OG1 O 4.636 -2.904 -4.443 1.00 . A A . 12 THR OG1 1 1 21 5860 1 1 13 ILE C C -0.585 -2.438 -0.593 1.00 . A A . 13 ILE C 1 1 21 5861 1 1 13 ILE CA C 0.545 -3.503 -0.725 1.00 . A A . 13 ILE CA 1 1 21 5862 1 1 13 ILE CB C 0.537 -4.474 0.568 1.00 . A A . 13 ILE CB 1 1 21 5863 1 1 13 ILE CD1 C 0.430 -3.784 3.102 1.00 . A A . 13 ILE CD1 1 1 21 5864 1 1 13 ILE CG1 C 1.302 -3.918 1.858 1.00 . A A . 13 ILE CG1 1 1 21 5865 1 1 13 ILE CG2 C 1.074 -5.861 0.178 1.00 . A A . 13 ILE CG2 1 1 21 5866 1 1 13 ILE H H 2.070 -1.980 -0.718 1.00 . A A . 13 ILE H 1 1 21 5867 1 1 13 ILE HA H 0.283 -4.115 -1.581 1.00 . A A . 13 ILE HA 1 1 21 5868 1 1 13 ILE HB H -0.506 -4.619 0.823 1.00 . A A . 13 ILE HB 1 1 21 5869 1 1 13 ILE HD11 H -0.064 -4.726 3.290 1.00 . A A . 13 ILE HD11 1 1 21 5870 1 1 13 ILE HD12 H 1.048 -3.525 3.949 1.00 . A A . 13 ILE HD12 1 1 21 5871 1 1 13 ILE HD13 H -0.309 -3.013 2.944 1.00 . A A . 13 ILE HD13 1 1 21 5872 1 1 13 ILE HG12 H 2.127 -4.570 2.111 1.00 . A A . 13 ILE HG12 1 1 21 5873 1 1 13 ILE HG13 H 1.695 -2.937 1.629 1.00 . A A . 13 ILE HG13 1 1 21 5874 1 1 13 ILE HG21 H 2.059 -5.759 -0.254 1.00 . A A . 13 ILE HG21 1 1 21 5875 1 1 13 ILE HG22 H 1.131 -6.480 1.062 1.00 . A A . 13 ILE HG22 1 1 21 5876 1 1 13 ILE HG23 H 0.409 -6.317 -0.539 1.00 . A A . 13 ILE HG23 1 1 21 5877 1 1 13 ILE N N 1.896 -2.880 -1.071 1.00 . A A . 13 ILE N 1 1 21 5878 1 1 13 ILE O O -0.333 -1.348 -0.006 1.00 . A A . 13 ILE O 1 1 21 5879 1 1 14 THR C C -3.894 -2.205 0.180 1.00 . A A . 14 THR C 1 1 21 5880 1 1 14 THR CA C -3.074 -1.983 -1.123 1.00 . A A . 14 THR CA 1 1 21 5881 1 1 14 THR CB C -4.031 -2.258 -2.351 1.00 . A A . 14 THR CB 1 1 21 5882 1 1 14 THR CG2 C -3.581 -1.568 -3.623 1.00 . A A . 14 THR CG2 1 1 21 5883 1 1 14 THR H H -1.877 -3.703 -1.553 1.00 . A A . 14 THR H 1 1 21 5884 1 1 14 THR HA H -2.775 -0.945 -1.161 1.00 . A A . 14 THR HA 1 1 21 5885 1 1 14 THR HB H -5.004 -1.852 -2.095 1.00 . A A . 14 THR HB 1 1 21 5886 1 1 14 THR HG1 H -4.617 -4.076 -1.848 1.00 . A A . 14 THR HG1 1 1 21 5887 1 1 14 THR HG21 H -2.508 -1.450 -3.621 1.00 . A A . 14 THR HG21 1 1 21 5888 1 1 14 THR HG22 H -3.878 -2.163 -4.473 1.00 . A A . 14 THR HG22 1 1 21 5889 1 1 14 THR HG23 H -4.055 -0.598 -3.684 1.00 . A A . 14 THR HG23 1 1 21 5890 1 1 14 THR N N -1.815 -2.816 -1.135 1.00 . A A . 14 THR N 1 1 21 5891 1 1 14 THR O O -3.978 -3.377 0.678 1.00 . A A . 14 THR O 1 1 21 5892 1 1 14 THR OG1 O -4.174 -3.665 -2.594 1.00 . A A . 14 THR OG1 1 1 21 5893 1 1 15 LEU C C -6.863 -0.808 1.361 1.00 . A A . 15 LEU C 1 1 21 5894 1 1 15 LEU CA C -5.404 -1.021 1.866 1.00 . A A . 15 LEU CA 1 1 21 5895 1 1 15 LEU CB C -4.916 0.034 2.909 1.00 . A A . 15 LEU CB 1 1 21 5896 1 1 15 LEU CD1 C -3.536 -0.385 5.033 1.00 . A A . 15 LEU CD1 1 1 21 5897 1 1 15 LEU CD2 C -5.916 0.342 5.258 1.00 . A A . 15 LEU CD2 1 1 21 5898 1 1 15 LEU CG C -4.925 -0.452 4.402 1.00 . A A . 15 LEU CG 1 1 21 5899 1 1 15 LEU H H -4.403 -0.222 0.177 1.00 . A A . 15 LEU H 1 1 21 5900 1 1 15 LEU HA H -5.356 -2.006 2.317 1.00 . A A . 15 LEU HA 1 1 21 5901 1 1 15 LEU HB2 H -3.909 0.326 2.633 1.00 . A A . 15 LEU HB2 1 1 21 5902 1 1 15 LEU HB3 H -5.551 0.905 2.818 1.00 . A A . 15 LEU HB3 1 1 21 5903 1 1 15 LEU HD11 H -3.154 0.622 4.957 1.00 . A A . 15 LEU HD11 1 1 21 5904 1 1 15 LEU HD12 H -3.599 -0.667 6.074 1.00 . A A . 15 LEU HD12 1 1 21 5905 1 1 15 LEU HD13 H -2.873 -1.063 4.517 1.00 . A A . 15 LEU HD13 1 1 21 5906 1 1 15 LEU HD21 H -6.911 0.233 4.852 1.00 . A A . 15 LEU HD21 1 1 21 5907 1 1 15 LEU HD22 H -5.897 -0.032 6.271 1.00 . A A . 15 LEU HD22 1 1 21 5908 1 1 15 LEU HD23 H -5.639 1.385 5.255 1.00 . A A . 15 LEU HD23 1 1 21 5909 1 1 15 LEU HG H -5.235 -1.488 4.428 1.00 . A A . 15 LEU HG 1 1 21 5910 1 1 15 LEU N N -4.521 -1.062 0.675 1.00 . A A . 15 LEU N 1 1 21 5911 1 1 15 LEU O O -7.219 0.304 0.836 1.00 . A A . 15 LEU O 1 1 21 5912 1 1 16 GLU C C -10.037 -2.552 2.102 1.00 . A A . 16 GLU C 1 1 21 5913 1 1 16 GLU CA C -9.078 -2.056 0.985 1.00 . A A . 16 GLU CA 1 1 21 5914 1 1 16 GLU CB C -9.141 -2.987 -0.250 1.00 . A A . 16 GLU CB 1 1 21 5915 1 1 16 GLU CD C -9.576 -3.016 -2.773 1.00 . A A . 16 GLU CD 1 1 21 5916 1 1 16 GLU CG C -8.953 -2.271 -1.595 1.00 . A A . 16 GLU CG 1 1 21 5917 1 1 16 GLU H H -7.255 -2.765 1.822 1.00 . A A . 16 GLU H 1 1 21 5918 1 1 16 GLU HA H -9.389 -1.065 0.687 1.00 . A A . 16 GLU HA 1 1 21 5919 1 1 16 GLU HB2 H -8.363 -3.731 -0.161 1.00 . A A . 16 GLU HB2 1 1 21 5920 1 1 16 GLU HB3 H -10.099 -3.484 -0.262 1.00 . A A . 16 GLU HB3 1 1 21 5921 1 1 16 GLU HG2 H -9.406 -1.294 -1.532 1.00 . A A . 16 GLU HG2 1 1 21 5922 1 1 16 GLU HG3 H -7.893 -2.158 -1.782 1.00 . A A . 16 GLU HG3 1 1 21 5923 1 1 16 GLU N N -7.662 -1.947 1.456 1.00 . A A . 16 GLU N 1 1 21 5924 1 1 16 GLU O O -9.634 -3.423 2.938 1.00 . A A . 16 GLU O 1 1 21 5925 1 1 16 GLU OE1 O -10.763 -2.759 -3.083 1.00 . A A . 16 GLU OE1 1 1 21 5926 1 1 16 GLU OE2 O -8.872 -3.843 -3.397 1.00 . A A . 16 GLU OE2 1 1 21 5927 1 1 17 VAL C C -13.694 -2.761 2.249 1.00 . A A . 17 VAL C 1 1 21 5928 1 1 17 VAL CA C -12.419 -2.264 3.036 1.00 . A A . 17 VAL CA 1 1 21 5929 1 1 17 VAL CB C -12.626 -1.017 4.068 1.00 . A A . 17 VAL CB 1 1 21 5930 1 1 17 VAL CG1 C -13.257 0.284 3.489 1.00 . A A . 17 VAL CG1 1 1 21 5931 1 1 17 VAL CG2 C -13.357 -1.431 5.363 1.00 . A A . 17 VAL CG2 1 1 21 5932 1 1 17 VAL H H -11.493 -1.305 1.380 1.00 . A A . 17 VAL H 1 1 21 5933 1 1 17 VAL HA H -12.077 -3.108 3.628 1.00 . A A . 17 VAL HA 1 1 21 5934 1 1 17 VAL HB H -11.628 -0.736 4.374 1.00 . A A . 17 VAL HB 1 1 21 5935 1 1 17 VAL HG11 H -12.656 0.637 2.663 1.00 . A A . 17 VAL HG11 1 1 21 5936 1 1 17 VAL HG12 H -14.258 0.077 3.143 1.00 . A A . 17 VAL HG12 1 1 21 5937 1 1 17 VAL HG13 H -13.292 1.040 4.259 1.00 . A A . 17 VAL HG13 1 1 21 5938 1 1 17 VAL HG21 H -12.811 -2.228 5.846 1.00 . A A . 17 VAL HG21 1 1 21 5939 1 1 17 VAL HG22 H -13.419 -0.582 6.029 1.00 . A A . 17 VAL HG22 1 1 21 5940 1 1 17 VAL HG23 H -14.352 -1.773 5.122 1.00 . A A . 17 VAL HG23 1 1 21 5941 1 1 17 VAL N N -11.306 -1.969 2.080 1.00 . A A . 17 VAL N 1 1 21 5942 1 1 17 VAL O O -14.145 -2.043 1.330 1.00 . A A . 17 VAL O 1 1 21 5943 1 1 17 VAL OXT O -14.200 -3.854 2.578 1.00 . A A . 17 VAL OXT 1 1 22 5944 1 1 1 MET C C -11.534 1.664 -1.886 1.00 . A A . 1 MET C 1 1 22 5945 1 1 1 MET CA C -12.808 2.546 -2.051 1.00 . A A . 1 MET CA 1 1 22 5946 1 1 1 MET CB C -13.066 3.387 -0.774 1.00 . A A . 1 MET CB 1 1 22 5947 1 1 1 MET CE C -14.742 6.647 -0.622 1.00 . A A . 1 MET CE 1 1 22 5948 1 1 1 MET CG C -12.626 4.852 -0.867 1.00 . A A . 1 MET CG 1 1 22 5949 1 1 1 MET H1 H -13.885 1.154 -3.182 1.00 . A A . 1 MET H1 1 1 22 5950 1 1 1 MET H2 H -14.231 1.105 -1.526 1.00 . A A . 1 MET H2 1 1 22 5951 1 1 1 MET H3 H -14.846 2.356 -2.483 1.00 . A A . 1 MET H3 1 1 22 5952 1 1 1 MET HA H -12.655 3.211 -2.888 1.00 . A A . 1 MET HA 1 1 22 5953 1 1 1 MET HB2 H -14.125 3.376 -0.562 1.00 . A A . 1 MET HB2 1 1 22 5954 1 1 1 MET HB3 H -12.540 2.932 0.053 1.00 . A A . 1 MET HB3 1 1 22 5955 1 1 1 MET HE1 H -15.310 5.865 -1.107 1.00 . A A . 1 MET HE1 1 1 22 5956 1 1 1 MET HE2 H -15.394 7.221 0.020 1.00 . A A . 1 MET HE2 1 1 22 5957 1 1 1 MET HE3 H -14.311 7.295 -1.371 1.00 . A A . 1 MET HE3 1 1 22 5958 1 1 1 MET HG2 H -11.556 4.899 -0.710 1.00 . A A . 1 MET HG2 1 1 22 5959 1 1 1 MET HG3 H -12.860 5.221 -1.855 1.00 . A A . 1 MET HG3 1 1 22 5960 1 1 1 MET N N -14.028 1.733 -2.330 1.00 . A A . 1 MET N 1 1 22 5961 1 1 1 MET O O -11.624 0.522 -1.335 1.00 . A A . 1 MET O 1 1 22 5962 1 1 1 MET SD S -13.433 5.908 0.357 1.00 . A A . 1 MET SD 1 1 22 5963 1 1 2 GLN C C -7.986 2.722 -1.797 1.00 . A A . 2 GLN C 1 1 22 5964 1 1 2 GLN CA C -8.991 1.656 -2.308 1.00 . A A . 2 GLN CA 1 1 22 5965 1 1 2 GLN CB C -8.563 1.072 -3.691 1.00 . A A . 2 GLN CB 1 1 22 5966 1 1 2 GLN CD C -7.751 -0.985 -4.983 1.00 . A A . 2 GLN CD 1 1 22 5967 1 1 2 GLN CG C -7.911 -0.312 -3.619 1.00 . A A . 2 GLN CG 1 1 22 5968 1 1 2 GLN H H -10.421 3.157 -2.744 1.00 . A A . 2 GLN H 1 1 22 5969 1 1 2 GLN HA H -9.027 0.856 -1.579 1.00 . A A . 2 GLN HA 1 1 22 5970 1 1 2 GLN HB2 H -9.433 1.000 -4.323 1.00 . A A . 2 GLN HB2 1 1 22 5971 1 1 2 GLN HB3 H -7.854 1.749 -4.145 1.00 . A A . 2 GLN HB3 1 1 22 5972 1 1 2 GLN HE21 H -9.497 -1.955 -4.788 1.00 . A A . 2 GLN HE21 1 1 22 5973 1 1 2 GLN HE22 H -8.626 -2.250 -6.250 1.00 . A A . 2 GLN HE22 1 1 22 5974 1 1 2 GLN HG2 H -6.934 -0.209 -3.174 1.00 . A A . 2 GLN HG2 1 1 22 5975 1 1 2 GLN HG3 H -8.520 -0.945 -2.994 1.00 . A A . 2 GLN HG3 1 1 22 5976 1 1 2 GLN N N -10.358 2.254 -2.360 1.00 . A A . 2 GLN N 1 1 22 5977 1 1 2 GLN NE2 N -8.724 -1.812 -5.379 1.00 . A A . 2 GLN NE2 1 1 22 5978 1 1 2 GLN O O -7.971 3.890 -2.325 1.00 . A A . 2 GLN O 1 1 22 5979 1 1 2 GLN OE1 O -6.748 -0.780 -5.676 1.00 . A A . 2 GLN OE1 1 1 22 5980 1 1 3 ILE C C -4.752 2.431 -0.140 1.00 . A A . 3 ILE C 1 1 22 5981 1 1 3 ILE CA C -6.165 3.131 -0.065 1.00 . A A . 3 ILE CA 1 1 22 5982 1 1 3 ILE CB C -6.716 3.608 1.391 1.00 . A A . 3 ILE CB 1 1 22 5983 1 1 3 ILE CD1 C -6.963 6.153 1.916 1.00 . A A . 3 ILE CD1 1 1 22 5984 1 1 3 ILE CG1 C -6.032 4.945 1.863 1.00 . A A . 3 ILE CG1 1 1 22 5985 1 1 3 ILE CG2 C -6.739 2.529 2.527 1.00 . A A . 3 ILE CG2 1 1 22 5986 1 1 3 ILE H H -7.306 1.381 -0.409 1.00 . A A . 3 ILE H 1 1 22 5987 1 1 3 ILE HA H -6.084 4.029 -0.671 1.00 . A A . 3 ILE HA 1 1 22 5988 1 1 3 ILE HB H -7.760 3.831 1.220 1.00 . A A . 3 ILE HB 1 1 22 5989 1 1 3 ILE HD11 H -7.980 5.820 2.075 1.00 . A A . 3 ILE HD11 1 1 22 5990 1 1 3 ILE HD12 H -6.666 6.802 2.727 1.00 . A A . 3 ILE HD12 1 1 22 5991 1 1 3 ILE HD13 H -6.905 6.695 0.983 1.00 . A A . 3 ILE HD13 1 1 22 5992 1 1 3 ILE HG21 H -5.838 1.936 2.480 1.00 . A A . 3 ILE HG21 1 1 22 5993 1 1 3 ILE HG22 H -6.800 3.017 3.490 1.00 . A A . 3 ILE HG22 1 1 22 5994 1 1 3 ILE HG23 H -7.599 1.888 2.392 1.00 . A A . 3 ILE HG23 1 1 22 5995 1 1 3 ILE N N -7.185 2.297 -0.746 1.00 . A A . 3 ILE N 1 1 22 5996 1 1 3 ILE O O -4.596 1.302 0.399 1.00 . A A . 3 ILE O 1 1 22 5997 1 1 4 PHE C C -1.367 3.343 -0.162 1.00 . A A . 4 PHE C 1 1 22 5998 1 1 4 PHE CA C -2.394 2.682 -1.118 1.00 . A A . 4 PHE CA 1 1 22 5999 1 1 4 PHE CB C -2.031 2.952 -2.621 1.00 . A A . 4 PHE CB 1 1 22 6000 1 1 4 PHE CD1 C -3.547 1.504 -4.312 1.00 . A A . 4 PHE CD1 1 1 22 6001 1 1 4 PHE CD2 C -1.009 0.883 -3.959 1.00 . A A . 4 PHE CD2 1 1 22 6002 1 1 4 PHE CE1 C -3.683 0.372 -5.304 1.00 . A A . 4 PHE CE1 1 1 22 6003 1 1 4 PHE CE2 C -1.152 -0.245 -4.959 1.00 . A A . 4 PHE CE2 1 1 22 6004 1 1 4 PHE CG C -2.201 1.782 -3.609 1.00 . A A . 4 PHE CG 1 1 22 6005 1 1 4 PHE CZ C -2.488 -0.502 -5.630 1.00 . A A . 4 PHE CZ 1 1 22 6006 1 1 4 PHE H H -4.059 3.993 -1.257 1.00 . A A . 4 PHE H 1 1 22 6007 1 1 4 PHE HA H -2.368 1.616 -0.950 1.00 . A A . 4 PHE HA 1 1 22 6008 1 1 4 PHE HB2 H -2.651 3.756 -2.980 1.00 . A A . 4 PHE HB2 1 1 22 6009 1 1 4 PHE HB3 H -0.998 3.268 -2.667 1.00 . A A . 4 PHE HB3 1 1 22 6010 1 1 4 PHE HD1 H -4.405 2.115 -4.078 1.00 . A A . 4 PHE HD1 1 1 22 6011 1 1 4 PHE HD2 H -0.059 1.056 -3.478 1.00 . A A . 4 PHE HD2 1 1 22 6012 1 1 4 PHE HE1 H -4.635 0.185 -5.775 1.00 . A A . 4 PHE HE1 1 1 22 6013 1 1 4 PHE HE2 H -0.303 -0.868 -5.191 1.00 . A A . 4 PHE HE2 1 1 22 6014 1 1 4 PHE HZ H -2.588 -1.307 -6.343 1.00 . A A . 4 PHE HZ 1 1 22 6015 1 1 4 PHE N N -3.793 3.135 -0.860 1.00 . A A . 4 PHE N 1 1 22 6016 1 1 4 PHE O O -1.474 4.577 0.123 1.00 . A A . 4 PHE O 1 1 22 6017 1 1 5 VAL C C 2.087 2.208 0.705 1.00 . A A . 5 VAL C 1 1 22 6018 1 1 5 VAL CA C 0.735 2.829 1.248 1.00 . A A . 5 VAL CA 1 1 22 6019 1 1 5 VAL CB C 0.338 2.484 2.797 1.00 . A A . 5 VAL CB 1 1 22 6020 1 1 5 VAL CG1 C 0.254 0.978 3.186 1.00 . A A . 5 VAL CG1 1 1 22 6021 1 1 5 VAL CG2 C 1.202 3.250 3.820 1.00 . A A . 5 VAL CG2 1 1 22 6022 1 1 5 VAL H H -0.419 1.535 0.016 1.00 . A A . 5 VAL H 1 1 22 6023 1 1 5 VAL HA H 0.841 3.907 1.179 1.00 . A A . 5 VAL HA 1 1 22 6024 1 1 5 VAL HB H -0.668 2.863 2.922 1.00 . A A . 5 VAL HB 1 1 22 6025 1 1 5 VAL HG11 H -0.281 0.438 2.420 1.00 . A A . 5 VAL HG11 1 1 22 6026 1 1 5 VAL HG12 H 1.252 0.575 3.280 1.00 . A A . 5 VAL HG12 1 1 22 6027 1 1 5 VAL HG13 H -0.266 0.878 4.128 1.00 . A A . 5 VAL HG13 1 1 22 6028 1 1 5 VAL HG21 H 1.423 4.235 3.439 1.00 . A A . 5 VAL HG21 1 1 22 6029 1 1 5 VAL HG22 H 0.663 3.337 4.752 1.00 . A A . 5 VAL HG22 1 1 22 6030 1 1 5 VAL HG23 H 2.124 2.713 3.986 1.00 . A A . 5 VAL HG23 1 1 22 6031 1 1 5 VAL N N -0.383 2.471 0.315 1.00 . A A . 5 VAL N 1 1 22 6032 1 1 5 VAL O O 2.133 0.967 0.483 1.00 . A A . 5 VAL O 1 1 22 6033 1 1 6 LYS C C 5.589 3.002 1.088 1.00 . A A . 6 LYS C 1 1 22 6034 1 1 6 LYS CA C 4.488 2.786 0.004 1.00 . A A . 6 LYS CA 1 1 22 6035 1 1 6 LYS CB C 4.789 3.618 -1.270 1.00 . A A . 6 LYS CB 1 1 22 6036 1 1 6 LYS CD C 5.375 3.559 -3.755 1.00 . A A . 6 LYS CD 1 1 22 6037 1 1 6 LYS CE C 6.546 3.220 -4.672 1.00 . A A . 6 LYS CE 1 1 22 6038 1 1 6 LYS CG C 5.469 2.833 -2.405 1.00 . A A . 6 LYS CG 1 1 22 6039 1 1 6 LYS H H 2.943 4.062 0.723 1.00 . A A . 6 LYS H 1 1 22 6040 1 1 6 LYS HA H 4.480 1.737 -0.258 1.00 . A A . 6 LYS HA 1 1 22 6041 1 1 6 LYS HB2 H 3.857 4.013 -1.648 1.00 . A A . 6 LYS HB2 1 1 22 6042 1 1 6 LYS HB3 H 5.431 4.443 -1.000 1.00 . A A . 6 LYS HB3 1 1 22 6043 1 1 6 LYS HD2 H 4.458 3.262 -4.244 1.00 . A A . 6 LYS HD2 1 1 22 6044 1 1 6 LYS HD3 H 5.363 4.629 -3.589 1.00 . A A . 6 LYS HD3 1 1 22 6045 1 1 6 LYS HE2 H 7.450 3.633 -4.246 1.00 . A A . 6 LYS HE2 1 1 22 6046 1 1 6 LYS HE3 H 6.637 2.146 -4.735 1.00 . A A . 6 LYS HE3 1 1 22 6047 1 1 6 LYS HG2 H 6.509 2.694 -2.146 1.00 . A A . 6 LYS HG2 1 1 22 6048 1 1 6 LYS HG3 H 4.990 1.869 -2.493 1.00 . A A . 6 LYS HG3 1 1 22 6049 1 1 6 LYS HZ1 H 6.144 4.790 -5.989 1.00 . A A . 6 LYS HZ1 1 1 22 6050 1 1 6 LYS HZ2 H 7.225 3.642 -6.602 1.00 . A A . 6 LYS HZ2 1 1 22 6051 1 1 6 LYS HZ3 H 5.574 3.289 -6.520 1.00 . A A . 6 LYS HZ3 1 1 22 6052 1 1 6 LYS N N 3.120 3.119 0.513 1.00 . A A . 6 LYS N 1 1 22 6053 1 1 6 LYS NZ N 6.359 3.774 -6.041 1.00 . A A . 6 LYS NZ 1 1 22 6054 1 1 6 LYS O O 5.497 3.975 1.897 1.00 . A A . 6 LYS O 1 1 22 6055 1 1 7 THR C C 9.147 2.172 1.171 1.00 . A A . 7 THR C 1 1 22 6056 1 1 7 THR CA C 7.817 2.020 1.969 1.00 . A A . 7 THR CA 1 1 22 6057 1 1 7 THR CB C 7.892 0.710 2.837 1.00 . A A . 7 THR CB 1 1 22 6058 1 1 7 THR CG2 C 6.951 0.753 4.043 1.00 . A A . 7 THR CG2 1 1 22 6059 1 1 7 THR H H 6.568 1.358 0.367 1.00 . A A . 7 THR H 1 1 22 6060 1 1 7 THR HA H 7.734 2.861 2.644 1.00 . A A . 7 THR HA 1 1 22 6061 1 1 7 THR HB H 8.903 0.623 3.207 1.00 . A A . 7 THR HB 1 1 22 6062 1 1 7 THR HG1 H 8.423 -0.898 1.832 1.00 . A A . 7 THR HG1 1 1 22 6063 1 1 7 THR HG21 H 6.010 1.196 3.752 1.00 . A A . 7 THR HG21 1 1 22 6064 1 1 7 THR HG22 H 6.780 -0.254 4.400 1.00 . A A . 7 THR HG22 1 1 22 6065 1 1 7 THR HG23 H 7.399 1.342 4.829 1.00 . A A . 7 THR HG23 1 1 22 6066 1 1 7 THR N N 6.617 2.062 1.052 1.00 . A A . 7 THR N 1 1 22 6067 1 1 7 THR O O 9.241 1.670 0.009 1.00 . A A . 7 THR O 1 1 22 6068 1 1 7 THR OG1 O 7.604 -0.446 2.050 1.00 . A A . 7 THR OG1 1 1 22 6069 1 1 8 LEU C C 12.460 1.876 1.090 1.00 . A A . 8 LEU C 1 1 22 6070 1 1 8 LEU CA C 11.559 3.162 1.292 1.00 . A A . 8 LEU CA 1 1 22 6071 1 1 8 LEU CB C 12.263 4.197 2.221 1.00 . A A . 8 LEU CB 1 1 22 6072 1 1 8 LEU CD1 C 11.244 6.463 2.889 1.00 . A A . 8 LEU CD1 1 1 22 6073 1 1 8 LEU CD2 C 13.372 6.417 1.570 1.00 . A A . 8 LEU CD2 1 1 22 6074 1 1 8 LEU CG C 12.045 5.701 1.829 1.00 . A A . 8 LEU CG 1 1 22 6075 1 1 8 LEU H H 9.961 3.203 2.740 1.00 . A A . 8 LEU H 1 1 22 6076 1 1 8 LEU HA H 11.423 3.618 0.323 1.00 . A A . 8 LEU HA 1 1 22 6077 1 1 8 LEU HB2 H 11.902 4.033 3.230 1.00 . A A . 8 LEU HB2 1 1 22 6078 1 1 8 LEU HB3 H 13.323 3.979 2.208 1.00 . A A . 8 LEU HB3 1 1 22 6079 1 1 8 LEU HD11 H 11.720 6.348 3.851 1.00 . A A . 8 LEU HD11 1 1 22 6080 1 1 8 LEU HD12 H 11.206 7.511 2.627 1.00 . A A . 8 LEU HD12 1 1 22 6081 1 1 8 LEU HD13 H 10.240 6.067 2.933 1.00 . A A . 8 LEU HD13 1 1 22 6082 1 1 8 LEU HD21 H 13.903 5.914 0.775 1.00 . A A . 8 LEU HD21 1 1 22 6083 1 1 8 LEU HD22 H 13.178 7.440 1.281 1.00 . A A . 8 LEU HD22 1 1 22 6084 1 1 8 LEU HD23 H 13.970 6.403 2.468 1.00 . A A . 8 LEU HD23 1 1 22 6085 1 1 8 LEU HG H 11.472 5.741 0.910 1.00 . A A . 8 LEU HG 1 1 22 6086 1 1 8 LEU N N 10.166 2.872 1.835 1.00 . A A . 8 LEU N 1 1 22 6087 1 1 8 LEU O O 13.467 1.948 0.316 1.00 . A A . 8 LEU O 1 1 22 6088 1 1 9 ASP C C 12.546 -1.371 0.348 1.00 . A A . 9 ASP C 1 1 22 6089 1 1 9 ASP CA C 12.731 -0.641 1.714 1.00 . A A . 9 ASP CA 1 1 22 6090 1 1 9 ASP CB C 12.249 -1.543 2.879 1.00 . A A . 9 ASP CB 1 1 22 6091 1 1 9 ASP CG C 13.381 -2.307 3.556 1.00 . A A . 9 ASP CG 1 1 22 6092 1 1 9 ASP H H 11.232 0.778 2.307 1.00 . A A . 9 ASP H 1 1 22 6093 1 1 9 ASP HA H 13.789 -0.459 1.846 1.00 . A A . 9 ASP HA 1 1 22 6094 1 1 9 ASP HB2 H 11.767 -0.927 3.623 1.00 . A A . 9 ASP HB2 1 1 22 6095 1 1 9 ASP HB3 H 11.536 -2.258 2.497 1.00 . A A . 9 ASP HB3 1 1 22 6096 1 1 9 ASP N N 12.048 0.712 1.765 1.00 . A A . 9 ASP N 1 1 22 6097 1 1 9 ASP O O 13.539 -1.995 -0.119 1.00 . A A . 9 ASP O 1 1 22 6098 1 1 9 ASP OD1 O 13.679 -3.444 3.121 1.00 . A A . 9 ASP OD1 1 1 22 6099 1 1 9 ASP OD2 O 13.962 -1.778 4.531 1.00 . A A . 9 ASP OD2 1 1 22 6100 1 1 10 GLY C C 9.708 -2.791 -1.487 1.00 . A A . 10 GLY C 1 1 22 6101 1 1 10 GLY CA C 10.912 -1.861 -1.569 1.00 . A A . 10 GLY CA 1 1 22 6102 1 1 10 GLY H H 10.599 -0.730 0.213 1.00 . A A . 10 GLY H 1 1 22 6103 1 1 10 GLY HA2 H 11.759 -2.419 -1.944 1.00 . A A . 10 GLY HA2 1 1 22 6104 1 1 10 GLY HA3 H 10.688 -1.066 -2.264 1.00 . A A . 10 GLY HA3 1 1 22 6105 1 1 10 GLY N N 11.285 -1.257 -0.259 1.00 . A A . 10 GLY N 1 1 22 6106 1 1 10 GLY O O 9.851 -3.979 -1.876 1.00 . A A . 10 GLY O 1 1 22 6107 1 1 11 LYS C C 6.024 -2.044 -1.303 1.00 . A A . 11 LYS C 1 1 22 6108 1 1 11 LYS CA C 7.214 -2.924 -0.818 1.00 . A A . 11 LYS CA 1 1 22 6109 1 1 11 LYS CB C 6.984 -3.331 0.661 1.00 . A A . 11 LYS CB 1 1 22 6110 1 1 11 LYS CD C 7.339 -4.939 2.546 1.00 . A A . 11 LYS CD 1 1 22 6111 1 1 11 LYS CE C 8.155 -6.113 3.080 1.00 . A A . 11 LYS CE 1 1 22 6112 1 1 11 LYS CG C 7.586 -4.665 1.064 1.00 . A A . 11 LYS CG 1 1 22 6113 1 1 11 LYS H H 8.565 -1.272 -0.724 1.00 . A A . 11 LYS H 1 1 22 6114 1 1 11 LYS HA H 7.244 -3.818 -1.424 1.00 . A A . 11 LYS HA 1 1 22 6115 1 1 11 LYS HB2 H 7.412 -2.571 1.298 1.00 . A A . 11 LYS HB2 1 1 22 6116 1 1 11 LYS HB3 H 5.919 -3.374 0.843 1.00 . A A . 11 LYS HB3 1 1 22 6117 1 1 11 LYS HD2 H 7.604 -4.057 3.110 1.00 . A A . 11 LYS HD2 1 1 22 6118 1 1 11 LYS HD3 H 6.289 -5.151 2.688 1.00 . A A . 11 LYS HD3 1 1 22 6119 1 1 11 LYS HE2 H 9.098 -6.162 2.553 1.00 . A A . 11 LYS HE2 1 1 22 6120 1 1 11 LYS HE3 H 8.344 -5.941 4.129 1.00 . A A . 11 LYS HE3 1 1 22 6121 1 1 11 LYS HG2 H 7.131 -5.450 0.476 1.00 . A A . 11 LYS HG2 1 1 22 6122 1 1 11 LYS HG3 H 8.650 -4.641 0.882 1.00 . A A . 11 LYS HG3 1 1 22 6123 1 1 11 LYS HZ1 H 6.530 -7.383 3.421 1.00 . A A . 11 LYS HZ1 1 1 22 6124 1 1 11 LYS HZ2 H 7.276 -7.616 1.921 1.00 . A A . 11 LYS HZ2 1 1 22 6125 1 1 11 LYS HZ3 H 8.017 -8.185 3.330 1.00 . A A . 11 LYS HZ3 1 1 22 6126 1 1 11 LYS N N 8.536 -2.220 -0.986 1.00 . A A . 11 LYS N 1 1 22 6127 1 1 11 LYS NZ N 7.445 -7.416 2.927 1.00 . A A . 11 LYS NZ 1 1 22 6128 1 1 11 LYS O O 6.043 -0.787 -1.096 1.00 . A A . 11 LYS O 1 1 22 6129 1 1 12 THR C C 2.533 -3.111 -2.155 1.00 . A A . 12 THR C 1 1 22 6130 1 1 12 THR CA C 3.720 -2.151 -2.463 1.00 . A A . 12 THR CA 1 1 22 6131 1 1 12 THR CB C 3.776 -1.763 -4.000 1.00 . A A . 12 THR CB 1 1 22 6132 1 1 12 THR CG2 C 4.500 -0.432 -4.224 1.00 . A A . 12 THR CG2 1 1 22 6133 1 1 12 THR H H 5.091 -3.723 -2.018 1.00 . A A . 12 THR H 1 1 22 6134 1 1 12 THR HA H 3.550 -1.240 -1.900 1.00 . A A . 12 THR HA 1 1 22 6135 1 1 12 THR HB H 2.761 -1.654 -4.349 1.00 . A A . 12 THR HB 1 1 22 6136 1 1 12 THR HG1 H 5.301 -2.946 -4.432 1.00 . A A . 12 THR HG1 1 1 22 6137 1 1 12 THR HG21 H 4.158 0.290 -3.497 1.00 . A A . 12 THR HG21 1 1 22 6138 1 1 12 THR HG22 H 5.564 -0.578 -4.114 1.00 . A A . 12 THR HG22 1 1 22 6139 1 1 12 THR HG23 H 4.287 -0.071 -5.219 1.00 . A A . 12 THR HG23 1 1 22 6140 1 1 12 THR N N 4.992 -2.748 -1.931 1.00 . A A . 12 THR N 1 1 22 6141 1 1 12 THR O O 2.522 -4.294 -2.634 1.00 . A A . 12 THR O 1 1 22 6142 1 1 12 THR OG1 O 4.415 -2.793 -4.770 1.00 . A A . 12 THR OG1 1 1 22 6143 1 1 13 ILE C C -0.829 -2.284 -0.488 1.00 . A A . 13 ILE C 1 1 22 6144 1 1 13 ILE CA C 0.323 -3.289 -0.782 1.00 . A A . 13 ILE CA 1 1 22 6145 1 1 13 ILE CB C 0.542 -4.266 0.493 1.00 . A A . 13 ILE CB 1 1 22 6146 1 1 13 ILE CD1 C 0.780 -3.699 3.062 1.00 . A A . 13 ILE CD1 1 1 22 6147 1 1 13 ILE CG1 C 1.433 -3.662 1.680 1.00 . A A . 13 ILE CG1 1 1 22 6148 1 1 13 ILE CG2 C 1.112 -5.617 0.015 1.00 . A A . 13 ILE CG2 1 1 22 6149 1 1 13 ILE H H 1.716 -1.664 -0.959 1.00 . A A . 13 ILE H 1 1 22 6150 1 1 13 ILE HA H -0.016 -3.910 -1.604 1.00 . A A . 13 ILE HA 1 1 22 6151 1 1 13 ILE HB H -0.446 -4.477 0.881 1.00 . A A . 13 ILE HB 1 1 22 6152 1 1 13 ILE HD11 H 0.405 -4.694 3.250 1.00 . A A . 13 ILE HD11 1 1 22 6153 1 1 13 ILE HD12 H 1.515 -3.443 3.812 1.00 . A A . 13 ILE HD12 1 1 22 6154 1 1 13 ILE HD13 H -0.035 -2.992 3.095 1.00 . A A . 13 ILE HD13 1 1 22 6155 1 1 13 ILE HG12 H 2.367 -4.199 1.750 1.00 . A A . 13 ILE HG12 1 1 22 6156 1 1 13 ILE HG13 H 1.646 -2.627 1.451 1.00 . A A . 13 ILE HG13 1 1 22 6157 1 1 13 ILE HG21 H 2.050 -5.453 -0.495 1.00 . A A . 13 ILE HG21 1 1 22 6158 1 1 13 ILE HG22 H 1.275 -6.256 0.872 1.00 . A A . 13 ILE HG22 1 1 22 6159 1 1 13 ILE HG23 H 0.412 -6.087 -0.658 1.00 . A A . 13 ILE HG23 1 1 22 6160 1 1 13 ILE N N 1.571 -2.577 -1.291 1.00 . A A . 13 ILE N 1 1 22 6161 1 1 13 ILE O O -0.555 -1.197 0.103 1.00 . A A . 13 ILE O 1 1 22 6162 1 1 14 THR C C -4.382 -2.640 0.237 1.00 . A A . 14 THR C 1 1 22 6163 1 1 14 THR CA C -3.363 -1.912 -0.714 1.00 . A A . 14 THR CA 1 1 22 6164 1 1 14 THR CB C -4.015 -1.410 -2.103 1.00 . A A . 14 THR CB 1 1 22 6165 1 1 14 THR CG2 C -4.433 -2.508 -3.130 1.00 . A A . 14 THR CG2 1 1 22 6166 1 1 14 THR H H -2.170 -3.573 -1.339 1.00 . A A . 14 THR H 1 1 22 6167 1 1 14 THR HA H -3.057 -1.016 -0.184 1.00 . A A . 14 THR HA 1 1 22 6168 1 1 14 THR HB H -3.273 -0.787 -2.586 1.00 . A A . 14 THR HB 1 1 22 6169 1 1 14 THR HG1 H -5.323 -0.023 -2.625 1.00 . A A . 14 THR HG1 1 1 22 6170 1 1 14 THR HG21 H -4.928 -3.317 -2.615 1.00 . A A . 14 THR HG21 1 1 22 6171 1 1 14 THR HG22 H -5.106 -2.075 -3.859 1.00 . A A . 14 THR HG22 1 1 22 6172 1 1 14 THR HG23 H -3.554 -2.882 -3.632 1.00 . A A . 14 THR HG23 1 1 22 6173 1 1 14 THR N N -2.092 -2.697 -0.901 1.00 . A A . 14 THR N 1 1 22 6174 1 1 14 THR O O -4.448 -3.905 0.231 1.00 . A A . 14 THR O 1 1 22 6175 1 1 14 THR OG1 O -5.152 -0.567 -1.854 1.00 . A A . 14 THR OG1 1 1 22 6176 1 1 15 LEU C C -7.603 -1.676 1.517 1.00 . A A . 15 LEU C 1 1 22 6177 1 1 15 LEU CA C -6.205 -2.177 1.982 1.00 . A A . 15 LEU CA 1 1 22 6178 1 1 15 LEU CB C -5.841 -1.655 3.396 1.00 . A A . 15 LEU CB 1 1 22 6179 1 1 15 LEU CD1 C -4.861 -2.997 5.352 1.00 . A A . 15 LEU CD1 1 1 22 6180 1 1 15 LEU CD2 C -7.182 -2.086 5.544 1.00 . A A . 15 LEU CD2 1 1 22 6181 1 1 15 LEU CG C -6.132 -2.644 4.580 1.00 . A A . 15 LEU CG 1 1 22 6182 1 1 15 LEU H H -5.002 -0.815 0.892 1.00 . A A . 15 LEU H 1 1 22 6183 1 1 15 LEU HA H -6.226 -3.258 2.005 1.00 . A A . 15 LEU HA 1 1 22 6184 1 1 15 LEU HB2 H -4.782 -1.409 3.386 1.00 . A A . 15 LEU HB2 1 1 22 6185 1 1 15 LEU HB3 H -6.392 -0.737 3.558 1.00 . A A . 15 LEU HB3 1 1 22 6186 1 1 15 LEU HD11 H -4.101 -3.331 4.662 1.00 . A A . 15 LEU HD11 1 1 22 6187 1 1 15 LEU HD12 H -4.508 -2.125 5.882 1.00 . A A . 15 LEU HD12 1 1 22 6188 1 1 15 LEU HD13 H -5.076 -3.784 6.059 1.00 . A A . 15 LEU HD13 1 1 22 6189 1 1 15 LEU HD21 H -8.076 -1.831 4.994 1.00 . A A . 15 LEU HD21 1 1 22 6190 1 1 15 LEU HD22 H -7.418 -2.831 6.289 1.00 . A A . 15 LEU HD22 1 1 22 6191 1 1 15 LEU HD23 H -6.793 -1.202 6.028 1.00 . A A . 15 LEU HD23 1 1 22 6192 1 1 15 LEU HG H -6.523 -3.568 4.173 1.00 . A A . 15 LEU HG 1 1 22 6193 1 1 15 LEU N N -5.151 -1.777 1.008 1.00 . A A . 15 LEU N 1 1 22 6194 1 1 15 LEU O O -7.737 -0.485 1.080 1.00 . A A . 15 LEU O 1 1 22 6195 1 1 16 GLU C C -11.041 -2.849 2.317 1.00 . A A . 16 GLU C 1 1 22 6196 1 1 16 GLU CA C -10.050 -2.418 1.199 1.00 . A A . 16 GLU CA 1 1 22 6197 1 1 16 GLU CB C -10.354 -3.170 -0.121 1.00 . A A . 16 GLU CB 1 1 22 6198 1 1 16 GLU CD C -10.729 -2.908 -2.641 1.00 . A A . 16 GLU CD 1 1 22 6199 1 1 16 GLU CG C -10.040 -2.366 -1.391 1.00 . A A . 16 GLU CG 1 1 22 6200 1 1 16 GLU H H -8.382 -3.522 1.940 1.00 . A A . 16 GLU H 1 1 22 6201 1 1 16 GLU HA H -10.179 -1.357 1.032 1.00 . A A . 16 GLU HA 1 1 22 6202 1 1 16 GLU HB2 H -9.769 -4.077 -0.145 1.00 . A A . 16 GLU HB2 1 1 22 6203 1 1 16 GLU HB3 H -11.402 -3.429 -0.137 1.00 . A A . 16 GLU HB3 1 1 22 6204 1 1 16 GLU HG2 H -10.360 -1.346 -1.242 1.00 . A A . 16 GLU HG2 1 1 22 6205 1 1 16 GLU HG3 H -8.970 -2.380 -1.556 1.00 . A A . 16 GLU HG3 1 1 22 6206 1 1 16 GLU N N -8.617 -2.629 1.602 1.00 . A A . 16 GLU N 1 1 22 6207 1 1 16 GLU O O -10.787 -3.875 3.023 1.00 . A A . 16 GLU O 1 1 22 6208 1 1 16 GLU OE1 O -11.863 -2.466 -2.938 1.00 . A A . 16 GLU OE1 1 1 22 6209 1 1 16 GLU OE2 O -10.128 -3.763 -3.332 1.00 . A A . 16 GLU OE2 1 1 22 6210 1 1 17 VAL C C -14.511 -2.928 2.823 1.00 . A A . 17 VAL C 1 1 22 6211 1 1 17 VAL CA C -13.283 -2.216 3.452 1.00 . A A . 17 VAL CA 1 1 22 6212 1 1 17 VAL CB C -13.735 -0.884 4.243 1.00 . A A . 17 VAL CB 1 1 22 6213 1 1 17 VAL CG1 C -12.763 -0.580 5.378 1.00 . A A . 17 VAL CG1 1 1 22 6214 1 1 17 VAL CG2 C -13.933 0.407 3.383 1.00 . A A . 17 VAL CG2 1 1 22 6215 1 1 17 VAL H H -12.240 -1.261 1.837 1.00 . A A . 17 VAL H 1 1 22 6216 1 1 17 VAL HA H -12.888 -2.901 4.194 1.00 . A A . 17 VAL HA 1 1 22 6217 1 1 17 VAL HB H -14.687 -1.113 4.706 1.00 . A A . 17 VAL HB 1 1 22 6218 1 1 17 VAL HG11 H -12.548 -1.489 5.922 1.00 . A A . 17 VAL HG11 1 1 22 6219 1 1 17 VAL HG12 H -11.848 -0.179 4.971 1.00 . A A . 17 VAL HG12 1 1 22 6220 1 1 17 VAL HG13 H -13.206 0.142 6.047 1.00 . A A . 17 VAL HG13 1 1 22 6221 1 1 17 VAL HG21 H -14.491 0.164 2.491 1.00 . A A . 17 VAL HG21 1 1 22 6222 1 1 17 VAL HG22 H -14.477 1.142 3.959 1.00 . A A . 17 VAL HG22 1 1 22 6223 1 1 17 VAL HG23 H -12.969 0.806 3.106 1.00 . A A . 17 VAL HG23 1 1 22 6224 1 1 17 VAL N N -12.162 -2.028 2.446 1.00 . A A . 17 VAL N 1 1 22 6225 1 1 17 VAL O O -15.051 -3.843 3.478 1.00 . A A . 17 VAL O 1 1 22 6226 1 1 17 VAL OXT O -14.915 -2.563 1.691 1.00 . A A . 17 VAL OXT 1 1 23 6227 1 1 1 MET C C -11.685 1.323 -1.377 1.00 . A A . 1 MET C 1 1 23 6228 1 1 1 MET CA C -13.104 1.918 -1.138 1.00 . A A . 1 MET CA 1 1 23 6229 1 1 1 MET CB C -13.204 2.562 0.271 1.00 . A A . 1 MET CB 1 1 23 6230 1 1 1 MET CE C -15.453 5.392 0.874 1.00 . A A . 1 MET CE 1 1 23 6231 1 1 1 MET CG C -13.057 4.088 0.299 1.00 . A A . 1 MET CG 1 1 23 6232 1 1 1 MET H1 H -14.124 0.424 -2.191 1.00 . A A . 1 MET H1 1 1 23 6233 1 1 1 MET H2 H -14.064 0.164 -0.521 1.00 . A A . 1 MET H2 1 1 23 6234 1 1 1 MET H3 H -15.112 1.330 -1.158 1.00 . A A . 1 MET H3 1 1 23 6235 1 1 1 MET HA H -13.287 2.675 -1.887 1.00 . A A . 1 MET HA 1 1 23 6236 1 1 1 MET HB2 H -14.169 2.320 0.692 1.00 . A A . 1 MET HB2 1 1 23 6237 1 1 1 MET HB3 H -12.432 2.139 0.900 1.00 . A A . 1 MET HB3 1 1 23 6238 1 1 1 MET HE1 H -15.866 4.569 0.309 1.00 . A A . 1 MET HE1 1 1 23 6239 1 1 1 MET HE2 H -16.164 5.712 1.621 1.00 . A A . 1 MET HE2 1 1 23 6240 1 1 1 MET HE3 H -15.236 6.214 0.208 1.00 . A A . 1 MET HE3 1 1 23 6241 1 1 1 MET HG2 H -12.007 4.331 0.388 1.00 . A A . 1 MET HG2 1 1 23 6242 1 1 1 MET HG3 H -13.440 4.492 -0.627 1.00 . A A . 1 MET HG3 1 1 23 6243 1 1 1 MET N N -14.177 0.886 -1.261 1.00 . A A . 1 MET N 1 1 23 6244 1 1 1 MET O O -11.409 0.155 -0.952 1.00 . A A . 1 MET O 1 1 23 6245 1 1 1 MET SD S -13.941 4.855 1.676 1.00 . A A . 1 MET SD 1 1 23 6246 1 1 2 GLN C C -8.471 3.042 -1.923 1.00 . A A . 2 GLN C 1 1 23 6247 1 1 2 GLN CA C -9.388 1.876 -2.382 1.00 . A A . 2 GLN CA 1 1 23 6248 1 1 2 GLN CB C -9.204 1.563 -3.893 1.00 . A A . 2 GLN CB 1 1 23 6249 1 1 2 GLN CD C -9.730 -0.130 -5.739 1.00 . A A . 2 GLN CD 1 1 23 6250 1 1 2 GLN CG C -9.410 0.092 -4.258 1.00 . A A . 2 GLN CG 1 1 23 6251 1 1 2 GLN H H -11.146 3.065 -2.312 1.00 . A A . 2 GLN H 1 1 23 6252 1 1 2 GLN HA H -9.113 1.000 -1.810 1.00 . A A . 2 GLN HA 1 1 23 6253 1 1 2 GLN HB2 H -9.906 2.153 -4.461 1.00 . A A . 2 GLN HB2 1 1 23 6254 1 1 2 GLN HB3 H -8.199 1.839 -4.181 1.00 . A A . 2 GLN HB3 1 1 23 6255 1 1 2 GLN HE21 H -7.787 -0.377 -6.195 1.00 . A A . 2 GLN HE21 1 1 23 6256 1 1 2 GLN HE22 H -8.895 -0.500 -7.514 1.00 . A A . 2 GLN HE22 1 1 23 6257 1 1 2 GLN HG2 H -8.506 -0.452 -4.020 1.00 . A A . 2 GLN HG2 1 1 23 6258 1 1 2 GLN HG3 H -10.227 -0.299 -3.667 1.00 . A A . 2 GLN HG3 1 1 23 6259 1 1 2 GLN N N -10.810 2.179 -2.048 1.00 . A A . 2 GLN N 1 1 23 6260 1 1 2 GLN NE2 N -8.698 -0.359 -6.565 1.00 . A A . 2 GLN NE2 1 1 23 6261 1 1 2 GLN O O -8.753 4.245 -2.241 1.00 . A A . 2 GLN O 1 1 23 6262 1 1 2 GLN OE1 O -10.897 -0.109 -6.141 1.00 . A A . 2 GLN OE1 1 1 23 6263 1 1 3 ILE C C -4.987 2.779 -0.488 1.00 . A A . 3 ILE C 1 1 23 6264 1 1 3 ILE CA C -6.338 3.543 -0.543 1.00 . A A . 3 ILE CA 1 1 23 6265 1 1 3 ILE CB C -6.716 4.234 0.875 1.00 . A A . 3 ILE CB 1 1 23 6266 1 1 3 ILE CD1 C -6.731 3.059 3.222 1.00 . A A . 3 ILE CD1 1 1 23 6267 1 1 3 ILE CG1 C -7.467 3.286 1.911 1.00 . A A . 3 ILE CG1 1 1 23 6268 1 1 3 ILE CG2 C -7.538 5.508 0.615 1.00 . A A . 3 ILE CG2 1 1 23 6269 1 1 3 ILE H H -7.298 1.680 -0.954 1.00 . A A . 3 ILE H 1 1 23 6270 1 1 3 ILE HA H -6.198 4.343 -1.264 1.00 . A A . 3 ILE HA 1 1 23 6271 1 1 3 ILE HB H -5.781 4.559 1.313 1.00 . A A . 3 ILE HB 1 1 23 6272 1 1 3 ILE HD11 H -6.198 3.956 3.495 1.00 . A A . 3 ILE HD11 1 1 23 6273 1 1 3 ILE HD12 H -7.449 2.816 3.992 1.00 . A A . 3 ILE HD12 1 1 23 6274 1 1 3 ILE HD13 H -6.034 2.243 3.107 1.00 . A A . 3 ILE HD13 1 1 23 6275 1 1 3 ILE HG21 H -8.432 5.254 0.067 1.00 . A A . 3 ILE HG21 1 1 23 6276 1 1 3 ILE HG22 H -7.810 5.959 1.558 1.00 . A A . 3 ILE HG22 1 1 23 6277 1 1 3 ILE HG23 H -6.948 6.206 0.038 1.00 . A A . 3 ILE HG23 1 1 23 6278 1 1 3 ILE N N -7.391 2.641 -1.144 1.00 . A A . 3 ILE N 1 1 23 6279 1 1 3 ILE O O -4.916 1.686 0.146 1.00 . A A . 3 ILE O 1 1 23 6280 1 1 4 PHE C C -1.596 3.297 -0.288 1.00 . A A . 4 PHE C 1 1 23 6281 1 1 4 PHE CA C -2.577 2.820 -1.391 1.00 . A A . 4 PHE CA 1 1 23 6282 1 1 4 PHE CB C -2.045 3.207 -2.811 1.00 . A A . 4 PHE CB 1 1 23 6283 1 1 4 PHE CD1 C -3.520 1.999 -4.723 1.00 . A A . 4 PHE CD1 1 1 23 6284 1 1 4 PHE CD2 C -1.001 1.327 -4.357 1.00 . A A . 4 PHE CD2 1 1 23 6285 1 1 4 PHE CE1 C -3.619 1.015 -5.868 1.00 . A A . 4 PHE CE1 1 1 23 6286 1 1 4 PHE CE2 C -1.106 0.336 -5.500 1.00 . A A . 4 PHE CE2 1 1 23 6287 1 1 4 PHE CG C -2.199 2.174 -3.940 1.00 . A A . 4 PHE CG 1 1 23 6288 1 1 4 PHE CZ C -2.412 0.182 -6.257 1.00 . A A . 4 PHE CZ 1 1 23 6289 1 1 4 PHE H H -4.172 4.203 -1.701 1.00 . A A . 4 PHE H 1 1 23 6290 1 1 4 PHE HA H -2.647 1.745 -1.335 1.00 . A A . 4 PHE HA 1 1 23 6291 1 1 4 PHE HB2 H -2.562 4.094 -3.132 1.00 . A A . 4 PHE HB2 1 1 23 6292 1 1 4 PHE HB3 H -0.993 3.435 -2.725 1.00 . A A . 4 PHE HB3 1 1 23 6293 1 1 4 PHE HD1 H -4.384 2.581 -4.442 1.00 . A A . 4 PHE HD1 1 1 23 6294 1 1 4 PHE HD2 H -0.070 1.431 -3.822 1.00 . A A . 4 PHE HD2 1 1 23 6295 1 1 4 PHE HE1 H -4.552 0.898 -6.397 1.00 . A A . 4 PHE HE1 1 1 23 6296 1 1 4 PHE HE2 H -0.250 -0.259 -5.777 1.00 . A A . 4 PHE HE2 1 1 23 6297 1 1 4 PHE HZ H -2.483 -0.521 -7.074 1.00 . A A . 4 PHE HZ 1 1 23 6298 1 1 4 PHE N N -3.964 3.368 -1.221 1.00 . A A . 4 PHE N 1 1 23 6299 1 1 4 PHE O O -1.680 4.481 0.161 1.00 . A A . 4 PHE O 1 1 23 6300 1 1 5 VAL C C 1.765 1.930 0.587 1.00 . A A . 5 VAL C 1 1 23 6301 1 1 5 VAL CA C 0.400 2.505 1.148 1.00 . A A . 5 VAL CA 1 1 23 6302 1 1 5 VAL CB C -0.095 1.948 2.604 1.00 . A A . 5 VAL CB 1 1 23 6303 1 1 5 VAL CG1 C -0.239 0.405 2.758 1.00 . A A . 5 VAL CG1 1 1 23 6304 1 1 5 VAL CG2 C 0.728 2.524 3.775 1.00 . A A . 5 VAL CG2 1 1 23 6305 1 1 5 VAL H H -0.714 1.448 -0.321 1.00 . A A . 5 VAL H 1 1 23 6306 1 1 5 VAL HA H 0.536 3.578 1.248 1.00 . A A . 5 VAL HA 1 1 23 6307 1 1 5 VAL HB H -1.096 2.337 2.731 1.00 . A A . 5 VAL HB 1 1 23 6308 1 1 5 VAL HG11 H -0.767 0.005 1.905 1.00 . A A . 5 VAL HG11 1 1 23 6309 1 1 5 VAL HG12 H 0.742 -0.044 2.817 1.00 . A A . 5 VAL HG12 1 1 23 6310 1 1 5 VAL HG13 H -0.792 0.183 3.658 1.00 . A A . 5 VAL HG13 1 1 23 6311 1 1 5 VAL HG21 H 0.862 3.587 3.632 1.00 . A A . 5 VAL HG21 1 1 23 6312 1 1 5 VAL HG22 H 0.206 2.348 4.703 1.00 . A A . 5 VAL HG22 1 1 23 6313 1 1 5 VAL HG23 H 1.693 2.042 3.808 1.00 . A A . 5 VAL HG23 1 1 23 6314 1 1 5 VAL N N -0.670 2.329 0.114 1.00 . A A . 5 VAL N 1 1 23 6315 1 1 5 VAL O O 1.796 0.731 0.195 1.00 . A A . 5 VAL O 1 1 23 6316 1 1 6 LYS C C 5.280 2.668 1.200 1.00 . A A . 6 LYS C 1 1 23 6317 1 1 6 LYS CA C 4.208 2.536 0.076 1.00 . A A . 6 LYS CA 1 1 23 6318 1 1 6 LYS CB C 4.541 3.458 -1.125 1.00 . A A . 6 LYS CB 1 1 23 6319 1 1 6 LYS CD C 5.154 3.558 -3.611 1.00 . A A . 6 LYS CD 1 1 23 6320 1 1 6 LYS CE C 6.382 3.375 -4.511 1.00 . A A . 6 LYS CE 1 1 23 6321 1 1 6 LYS CG C 5.248 2.757 -2.299 1.00 . A A . 6 LYS CG 1 1 23 6322 1 1 6 LYS H H 2.655 3.741 0.898 1.00 . A A . 6 LYS H 1 1 23 6323 1 1 6 LYS HA H 4.207 1.508 -0.264 1.00 . A A . 6 LYS HA 1 1 23 6324 1 1 6 LYS HB2 H 3.621 3.886 -1.494 1.00 . A A . 6 LYS HB2 1 1 23 6325 1 1 6 LYS HB3 H 5.180 4.257 -0.777 1.00 . A A . 6 LYS HB3 1 1 23 6326 1 1 6 LYS HD2 H 4.282 3.225 -4.153 1.00 . A A . 6 LYS HD2 1 1 23 6327 1 1 6 LYS HD3 H 5.049 4.612 -3.382 1.00 . A A . 6 LYS HD3 1 1 23 6328 1 1 6 LYS HE2 H 6.515 4.272 -5.096 1.00 . A A . 6 LYS HE2 1 1 23 6329 1 1 6 LYS HE3 H 7.257 3.220 -3.893 1.00 . A A . 6 LYS HE3 1 1 23 6330 1 1 6 LYS HG2 H 6.287 2.620 -2.038 1.00 . A A . 6 LYS HG2 1 1 23 6331 1 1 6 LYS HG3 H 4.788 1.790 -2.447 1.00 . A A . 6 LYS HG3 1 1 23 6332 1 1 6 LYS HZ1 H 5.335 2.292 -5.962 1.00 . A A . 6 LYS HZ1 1 1 23 6333 1 1 6 LYS HZ2 H 7.016 2.200 -6.121 1.00 . A A . 6 LYS HZ2 1 1 23 6334 1 1 6 LYS HZ3 H 6.235 1.326 -4.902 1.00 . A A . 6 LYS HZ3 1 1 23 6335 1 1 6 LYS N N 2.825 2.830 0.569 1.00 . A A . 6 LYS N 1 1 23 6336 1 1 6 LYS NZ N 6.231 2.216 -5.439 1.00 . A A . 6 LYS NZ 1 1 23 6337 1 1 6 LYS O O 5.162 3.571 2.082 1.00 . A A . 6 LYS O 1 1 23 6338 1 1 7 THR C C 8.833 1.966 1.326 1.00 . A A . 7 THR C 1 1 23 6339 1 1 7 THR CA C 7.495 1.630 2.051 1.00 . A A . 7 THR CA 1 1 23 6340 1 1 7 THR CB C 7.620 0.214 2.727 1.00 . A A . 7 THR CB 1 1 23 6341 1 1 7 THR CG2 C 6.655 0.046 3.905 1.00 . A A . 7 THR CG2 1 1 23 6342 1 1 7 THR H H 6.289 1.093 0.371 1.00 . A A . 7 THR H 1 1 23 6343 1 1 7 THR HA H 7.348 2.360 2.835 1.00 . A A . 7 THR HA 1 1 23 6344 1 1 7 THR HB H 8.627 0.121 3.106 1.00 . A A . 7 THR HB 1 1 23 6345 1 1 7 THR HG1 H 8.136 -0.866 1.160 1.00 . A A . 7 THR HG1 1 1 23 6346 1 1 7 THR HG21 H 5.718 0.531 3.676 1.00 . A A . 7 THR HG21 1 1 23 6347 1 1 7 THR HG22 H 6.483 -1.006 4.080 1.00 . A A . 7 THR HG22 1 1 23 6348 1 1 7 THR HG23 H 7.085 0.493 4.790 1.00 . A A . 7 THR HG23 1 1 23 6349 1 1 7 THR N N 6.317 1.739 1.113 1.00 . A A . 7 THR N 1 1 23 6350 1 1 7 THR O O 8.988 1.634 0.112 1.00 . A A . 7 THR O 1 1 23 6351 1 1 7 THR OG1 O 7.401 -0.835 1.777 1.00 . A A . 7 THR OG1 1 1 23 6352 1 1 8 LEU C C 12.172 1.893 1.383 1.00 . A A . 8 LEU C 1 1 23 6353 1 1 8 LEU CA C 11.167 3.079 1.660 1.00 . A A . 8 LEU CA 1 1 23 6354 1 1 8 LEU CB C 11.757 4.075 2.710 1.00 . A A . 8 LEU CB 1 1 23 6355 1 1 8 LEU CD1 C 11.328 6.614 2.624 1.00 . A A . 8 LEU CD1 1 1 23 6356 1 1 8 LEU CD2 C 13.679 5.763 2.498 1.00 . A A . 8 LEU CD2 1 1 23 6357 1 1 8 LEU CG C 12.221 5.464 2.143 1.00 . A A . 8 LEU CG 1 1 23 6358 1 1 8 LEU H H 9.535 2.828 3.045 1.00 . A A . 8 LEU H 1 1 23 6359 1 1 8 LEU HA H 11.029 3.611 0.730 1.00 . A A . 8 LEU HA 1 1 23 6360 1 1 8 LEU HB2 H 11.001 4.234 3.469 1.00 . A A . 8 LEU HB2 1 1 23 6361 1 1 8 LEU HB3 H 12.600 3.586 3.179 1.00 . A A . 8 LEU HB3 1 1 23 6362 1 1 8 LEU HD11 H 11.275 6.601 3.703 1.00 . A A . 8 LEU HD11 1 1 23 6363 1 1 8 LEU HD12 H 11.743 7.555 2.294 1.00 . A A . 8 LEU HD12 1 1 23 6364 1 1 8 LEU HD13 H 10.336 6.494 2.213 1.00 . A A . 8 LEU HD13 1 1 23 6365 1 1 8 LEU HD21 H 14.313 4.986 2.097 1.00 . A A . 8 LEU HD21 1 1 23 6366 1 1 8 LEU HD22 H 13.965 6.714 2.074 1.00 . A A . 8 LEU HD22 1 1 23 6367 1 1 8 LEU HD23 H 13.788 5.800 3.572 1.00 . A A . 8 LEU HD23 1 1 23 6368 1 1 8 LEU HG H 12.150 5.437 1.063 1.00 . A A . 8 LEU HG 1 1 23 6369 1 1 8 LEU N N 9.784 2.632 2.112 1.00 . A A . 8 LEU N 1 1 23 6370 1 1 8 LEU O O 13.173 2.105 0.629 1.00 . A A . 8 LEU O 1 1 23 6371 1 1 9 ASP C C 12.565 -1.272 0.426 1.00 . A A . 9 ASP C 1 1 23 6372 1 1 9 ASP CA C 12.659 -0.627 1.845 1.00 . A A . 9 ASP CA 1 1 23 6373 1 1 9 ASP CB C 12.231 -1.650 2.930 1.00 . A A . 9 ASP CB 1 1 23 6374 1 1 9 ASP CG C 13.400 -2.440 3.506 1.00 . A A . 9 ASP CG 1 1 23 6375 1 1 9 ASP H H 11.039 0.617 2.514 1.00 . A A . 9 ASP H 1 1 23 6376 1 1 9 ASP HA H 13.694 -0.368 2.019 1.00 . A A . 9 ASP HA 1 1 23 6377 1 1 9 ASP HB2 H 11.750 -1.122 3.738 1.00 . A A . 9 ASP HB2 1 1 23 6378 1 1 9 ASP HB3 H 11.529 -2.347 2.496 1.00 . A A . 9 ASP HB3 1 1 23 6379 1 1 9 ASP N N 11.860 0.657 1.977 1.00 . A A . 9 ASP N 1 1 23 6380 1 1 9 ASP O O 13.611 -1.800 -0.048 1.00 . A A . 9 ASP O 1 1 23 6381 1 1 9 ASP OD1 O 13.991 -1.986 4.513 1.00 . A A . 9 ASP OD1 1 1 23 6382 1 1 9 ASP OD2 O 13.717 -3.523 2.961 1.00 . A A . 9 ASP OD2 1 1 23 6383 1 1 10 GLY C C 9.888 -2.740 -1.614 1.00 . A A . 10 GLY C 1 1 23 6384 1 1 10 GLY CA C 11.025 -1.720 -1.578 1.00 . A A . 10 GLY CA 1 1 23 6385 1 1 10 GLY H H 10.591 -0.735 0.264 1.00 . A A . 10 GLY H 1 1 23 6386 1 1 10 GLY HA2 H 11.920 -2.185 -1.966 1.00 . A A . 10 GLY HA2 1 1 23 6387 1 1 10 GLY HA3 H 10.763 -0.894 -2.220 1.00 . A A . 10 GLY HA3 1 1 23 6388 1 1 10 GLY N N 11.319 -1.189 -0.216 1.00 . A A . 10 GLY N 1 1 23 6389 1 1 10 GLY O O 10.100 -3.841 -2.184 1.00 . A A . 10 GLY O 1 1 23 6390 1 1 11 LYS C C 6.167 -2.292 -1.228 1.00 . A A . 11 LYS C 1 1 23 6391 1 1 11 LYS CA C 7.425 -3.156 -0.927 1.00 . A A . 11 LYS CA 1 1 23 6392 1 1 11 LYS CB C 7.288 -3.837 0.468 1.00 . A A . 11 LYS CB 1 1 23 6393 1 1 11 LYS CD C 8.867 -5.698 1.363 1.00 . A A . 11 LYS CD 1 1 23 6394 1 1 11 LYS CE C 8.540 -6.595 2.566 1.00 . A A . 11 LYS CE 1 1 23 6395 1 1 11 LYS CG C 7.624 -5.349 0.498 1.00 . A A . 11 LYS CG 1 1 23 6396 1 1 11 LYS H H 8.660 -1.444 -0.606 1.00 . A A . 11 LYS H 1 1 23 6397 1 1 11 LYS HA H 7.492 -3.923 -1.687 1.00 . A A . 11 LYS HA 1 1 23 6398 1 1 11 LYS HB2 H 7.936 -3.322 1.163 1.00 . A A . 11 LYS HB2 1 1 23 6399 1 1 11 LYS HB3 H 6.267 -3.718 0.806 1.00 . A A . 11 LYS HB3 1 1 23 6400 1 1 11 LYS HD2 H 9.579 -6.218 0.742 1.00 . A A . 11 LYS HD2 1 1 23 6401 1 1 11 LYS HD3 H 9.321 -4.784 1.728 1.00 . A A . 11 LYS HD3 1 1 23 6402 1 1 11 LYS HE2 H 9.253 -6.393 3.352 1.00 . A A . 11 LYS HE2 1 1 23 6403 1 1 11 LYS HE3 H 7.545 -6.362 2.919 1.00 . A A . 11 LYS HE3 1 1 23 6404 1 1 11 LYS HG2 H 6.762 -5.874 0.885 1.00 . A A . 11 LYS HG2 1 1 23 6405 1 1 11 LYS HG3 H 7.806 -5.686 -0.515 1.00 . A A . 11 LYS HG3 1 1 23 6406 1 1 11 LYS HZ1 H 8.058 -8.226 1.354 1.00 . A A . 11 LYS HZ1 1 1 23 6407 1 1 11 LYS HZ2 H 9.593 -8.326 2.055 1.00 . A A . 11 LYS HZ2 1 1 23 6408 1 1 11 LYS HZ3 H 8.217 -8.614 2.993 1.00 . A A . 11 LYS HZ3 1 1 23 6409 1 1 11 LYS N N 8.690 -2.341 -1.008 1.00 . A A . 11 LYS N 1 1 23 6410 1 1 11 LYS NZ N 8.607 -8.042 2.218 1.00 . A A . 11 LYS NZ 1 1 23 6411 1 1 11 LYS O O 6.114 -1.090 -0.806 1.00 . A A . 11 LYS O 1 1 23 6412 1 1 12 THR C C 2.688 -3.325 -2.087 1.00 . A A . 12 THR C 1 1 23 6413 1 1 12 THR CA C 3.854 -2.335 -2.362 1.00 . A A . 12 THR CA 1 1 23 6414 1 1 12 THR CB C 3.818 -1.841 -3.861 1.00 . A A . 12 THR CB 1 1 23 6415 1 1 12 THR CG2 C 4.500 -0.481 -4.033 1.00 . A A . 12 THR CG2 1 1 23 6416 1 1 12 THR H H 5.327 -3.876 -2.218 1.00 . A A . 12 THR H 1 1 23 6417 1 1 12 THR HA H 3.701 -1.469 -1.729 1.00 . A A . 12 THR HA 1 1 23 6418 1 1 12 THR HB H 2.782 -1.732 -4.145 1.00 . A A . 12 THR HB 1 1 23 6419 1 1 12 THR HG1 H 3.758 -3.195 -5.300 1.00 . A A . 12 THR HG1 1 1 23 6420 1 1 12 THR HG21 H 5.436 -0.476 -3.496 1.00 . A A . 12 THR HG21 1 1 23 6421 1 1 12 THR HG22 H 4.684 -0.301 -5.082 1.00 . A A . 12 THR HG22 1 1 23 6422 1 1 12 THR HG23 H 3.857 0.295 -3.643 1.00 . A A . 12 THR HG23 1 1 23 6423 1 1 12 THR N N 5.169 -2.942 -1.954 1.00 . A A . 12 THR N 1 1 23 6424 1 1 12 THR O O 2.762 -4.525 -2.505 1.00 . A A . 12 THR O 1 1 23 6425 1 1 12 THR OG1 O 4.429 -2.800 -4.739 1.00 . A A . 12 THR OG1 1 1 23 6426 1 1 13 ILE C C -0.829 -2.534 -0.748 1.00 . A A . 13 ILE C 1 1 23 6427 1 1 13 ILE CA C 0.369 -3.516 -0.905 1.00 . A A . 13 ILE CA 1 1 23 6428 1 1 13 ILE CB C 0.508 -4.434 0.420 1.00 . A A . 13 ILE CB 1 1 23 6429 1 1 13 ILE CD1 C 0.521 -3.676 2.940 1.00 . A A . 13 ILE CD1 1 1 23 6430 1 1 13 ILE CG1 C 1.310 -3.777 1.638 1.00 . A A . 13 ILE CG1 1 1 23 6431 1 1 13 ILE CG2 C 1.117 -5.794 0.043 1.00 . A A . 13 ILE CG2 1 1 23 6432 1 1 13 ILE H H 1.712 -1.847 -1.060 1.00 . A A . 13 ILE H 1 1 23 6433 1 1 13 ILE HA H 0.115 -4.176 -1.726 1.00 . A A . 13 ILE HA 1 1 23 6434 1 1 13 ILE HB H -0.505 -4.639 0.747 1.00 . A A . 13 ILE HB 1 1 23 6435 1 1 13 ILE HD11 H 0.074 -4.636 3.157 1.00 . A A . 13 ILE HD11 1 1 23 6436 1 1 13 ILE HD12 H 1.186 -3.398 3.744 1.00 . A A . 13 ILE HD12 1 1 23 6437 1 1 13 ILE HD13 H -0.254 -2.932 2.837 1.00 . A A . 13 ILE HD13 1 1 23 6438 1 1 13 ILE HG12 H 2.202 -4.349 1.847 1.00 . A A . 13 ILE HG12 1 1 23 6439 1 1 13 ILE HG13 H 1.601 -2.775 1.356 1.00 . A A . 13 ILE HG13 1 1 23 6440 1 1 13 ILE HG21 H 2.070 -5.641 -0.439 1.00 . A A . 13 ILE HG21 1 1 23 6441 1 1 13 ILE HG22 H 1.256 -6.379 0.941 1.00 . A A . 13 ILE HG22 1 1 23 6442 1 1 13 ILE HG23 H 0.451 -6.314 -0.629 1.00 . A A . 13 ILE HG23 1 1 23 6443 1 1 13 ILE N N 1.634 -2.785 -1.343 1.00 . A A . 13 ILE N 1 1 23 6444 1 1 13 ILE O O -0.635 -1.417 -0.185 1.00 . A A . 13 ILE O 1 1 23 6445 1 1 14 THR C C -4.102 -2.443 0.134 1.00 . A A . 14 THR C 1 1 23 6446 1 1 14 THR CA C -3.349 -2.236 -1.211 1.00 . A A . 14 THR CA 1 1 23 6447 1 1 14 THR CB C -4.339 -2.594 -2.387 1.00 . A A . 14 THR CB 1 1 23 6448 1 1 14 THR CG2 C -3.961 -1.949 -3.708 1.00 . A A . 14 THR CG2 1 1 23 6449 1 1 14 THR H H -2.065 -3.891 -1.660 1.00 . A A . 14 THR H 1 1 23 6450 1 1 14 THR HA H -3.105 -1.185 -1.296 1.00 . A A . 14 THR HA 1 1 23 6451 1 1 14 THR HB H -5.313 -2.205 -2.113 1.00 . A A . 14 THR HB 1 1 23 6452 1 1 14 THR HG1 H -3.575 -4.382 -2.742 1.00 . A A . 14 THR HG1 1 1 23 6453 1 1 14 THR HG21 H -3.448 -1.016 -3.525 1.00 . A A . 14 THR HG21 1 1 23 6454 1 1 14 THR HG22 H -3.318 -2.614 -4.263 1.00 . A A . 14 THR HG22 1 1 23 6455 1 1 14 THR HG23 H -4.863 -1.759 -4.275 1.00 . A A . 14 THR HG23 1 1 23 6456 1 1 14 THR N N -2.046 -2.998 -1.250 1.00 . A A . 14 THR N 1 1 23 6457 1 1 14 THR O O -4.108 -3.594 0.682 1.00 . A A . 14 THR O 1 1 23 6458 1 1 14 THR OG1 O -4.445 -4.015 -2.562 1.00 . A A . 14 THR OG1 1 1 23 6459 1 1 15 LEU C C -7.055 -0.970 1.382 1.00 . A A . 15 LEU C 1 1 23 6460 1 1 15 LEU CA C -5.588 -1.239 1.830 1.00 . A A . 15 LEU CA 1 1 23 6461 1 1 15 LEU CB C -5.018 -0.198 2.846 1.00 . A A . 15 LEU CB 1 1 23 6462 1 1 15 LEU CD1 C -3.402 -0.615 4.794 1.00 . A A . 15 LEU CD1 1 1 23 6463 1 1 15 LEU CD2 C -5.764 0.033 5.292 1.00 . A A . 15 LEU CD2 1 1 23 6464 1 1 15 LEU CG C -4.849 -0.714 4.317 1.00 . A A . 15 LEU CG 1 1 23 6465 1 1 15 LEU H H -4.695 -0.489 0.069 1.00 . A A . 15 LEU H 1 1 23 6466 1 1 15 LEU HA H -5.559 -2.225 2.282 1.00 . A A . 15 LEU HA 1 1 23 6467 1 1 15 LEU HB2 H -4.055 0.129 2.468 1.00 . A A . 15 LEU HB2 1 1 23 6468 1 1 15 LEU HB3 H -5.681 0.657 2.845 1.00 . A A . 15 LEU HB3 1 1 23 6469 1 1 15 LEU HD11 H -3.070 0.411 4.729 1.00 . A A . 15 LEU HD11 1 1 23 6470 1 1 15 LEU HD12 H -3.337 -0.951 5.819 1.00 . A A . 15 LEU HD12 1 1 23 6471 1 1 15 LEU HD13 H -2.774 -1.236 4.172 1.00 . A A . 15 LEU HD13 1 1 23 6472 1 1 15 LEU HD21 H -6.785 -0.025 4.945 1.00 . A A . 15 LEU HD21 1 1 23 6473 1 1 15 LEU HD22 H -5.692 -0.418 6.271 1.00 . A A . 15 LEU HD22 1 1 23 6474 1 1 15 LEU HD23 H -5.461 1.068 5.348 1.00 . A A . 15 LEU HD23 1 1 23 6475 1 1 15 LEU HG H -5.125 -1.760 4.351 1.00 . A A . 15 LEU HG 1 1 23 6476 1 1 15 LEU N N -4.758 -1.308 0.607 1.00 . A A . 15 LEU N 1 1 23 6477 1 1 15 LEU O O -7.387 0.156 0.867 1.00 . A A . 15 LEU O 1 1 23 6478 1 1 16 GLU C C -10.267 -2.584 2.251 1.00 . A A . 16 GLU C 1 1 23 6479 1 1 16 GLU CA C -9.332 -2.125 1.096 1.00 . A A . 16 GLU CA 1 1 23 6480 1 1 16 GLU CB C -9.484 -3.050 -0.137 1.00 . A A . 16 GLU CB 1 1 23 6481 1 1 16 GLU CD C -10.047 -3.035 -2.634 1.00 . A A . 16 GLU CD 1 1 23 6482 1 1 16 GLU CG C -9.317 -2.339 -1.487 1.00 . A A . 16 GLU CG 1 1 23 6483 1 1 16 GLU H H -7.511 -2.908 1.866 1.00 . A A . 16 GLU H 1 1 23 6484 1 1 16 GLU HA H -9.614 -1.122 0.811 1.00 . A A . 16 GLU HA 1 1 23 6485 1 1 16 GLU HB2 H -8.735 -3.828 -0.078 1.00 . A A . 16 GLU HB2 1 1 23 6486 1 1 16 GLU HB3 H -10.462 -3.505 -0.112 1.00 . A A . 16 GLU HB3 1 1 23 6487 1 1 16 GLU HG2 H -9.703 -1.335 -1.400 1.00 . A A . 16 GLU HG2 1 1 23 6488 1 1 16 GLU HG3 H -8.263 -2.294 -1.728 1.00 . A A . 16 GLU HG3 1 1 23 6489 1 1 16 GLU N N -7.895 -2.074 1.512 1.00 . A A . 16 GLU N 1 1 23 6490 1 1 16 GLU O O -9.868 -3.472 3.068 1.00 . A A . 16 GLU O 1 1 23 6491 1 1 16 GLU OE1 O -11.228 -2.699 -2.883 1.00 . A A . 16 GLU OE1 1 1 23 6492 1 1 16 GLU OE2 O -9.432 -3.903 -3.296 1.00 . A A . 16 GLU OE2 1 1 23 6493 1 1 17 VAL C C -14.013 -2.184 2.639 1.00 . A A . 17 VAL C 1 1 23 6494 1 1 17 VAL CA C -12.606 -2.202 3.295 1.00 . A A . 17 VAL CA 1 1 23 6495 1 1 17 VAL CB C -12.571 -1.263 4.607 1.00 . A A . 17 VAL CB 1 1 23 6496 1 1 17 VAL CG1 C -11.532 -1.771 5.600 1.00 . A A . 17 VAL CG1 1 1 23 6497 1 1 17 VAL CG2 C -12.342 0.265 4.367 1.00 . A A . 17 VAL CG2 1 1 23 6498 1 1 17 VAL H H -11.695 -1.274 1.588 1.00 . A A . 17 VAL H 1 1 23 6499 1 1 17 VAL HA H -12.450 -3.221 3.635 1.00 . A A . 17 VAL HA 1 1 23 6500 1 1 17 VAL HB H -13.535 -1.373 5.088 1.00 . A A . 17 VAL HB 1 1 23 6501 1 1 17 VAL HG11 H -11.666 -2.833 5.749 1.00 . A A . 17 VAL HG11 1 1 23 6502 1 1 17 VAL HG12 H -10.542 -1.584 5.213 1.00 . A A . 17 VAL HG12 1 1 23 6503 1 1 17 VAL HG13 H -11.654 -1.258 6.543 1.00 . A A . 17 VAL HG13 1 1 23 6504 1 1 17 VAL HG21 H -13.092 0.639 3.686 1.00 . A A . 17 VAL HG21 1 1 23 6505 1 1 17 VAL HG22 H -12.414 0.791 5.309 1.00 . A A . 17 VAL HG22 1 1 23 6506 1 1 17 VAL HG23 H -11.361 0.420 3.944 1.00 . A A . 17 VAL HG23 1 1 23 6507 1 1 17 VAL N N -11.507 -1.948 2.280 1.00 . A A . 17 VAL N 1 1 23 6508 1 1 17 VAL O O -14.814 -3.088 2.953 1.00 . A A . 17 VAL O 1 1 23 6509 1 1 17 VAL OXT O -14.295 -1.270 1.824 1.00 . A A . 17 VAL OXT 1 1 24 6510 1 1 1 MET C C -11.378 1.605 -1.561 1.00 . A A . 1 MET C 1 1 24 6511 1 1 1 MET CA C -12.805 2.217 -1.504 1.00 . A A . 1 MET CA 1 1 24 6512 1 1 1 MET CB C -13.012 3.089 -0.183 1.00 . A A . 1 MET CB 1 1 24 6513 1 1 1 MET CE C -13.032 4.044 3.370 1.00 . A A . 1 MET CE 1 1 24 6514 1 1 1 MET CG C -13.345 2.377 1.168 1.00 . A A . 1 MET CG 1 1 24 6515 1 1 1 MET H1 H -13.630 0.543 -2.478 1.00 . A A . 1 MET H1 1 1 24 6516 1 1 1 MET H2 H -13.989 0.613 -0.827 1.00 . A A . 1 MET H2 1 1 24 6517 1 1 1 MET H3 H -14.788 1.638 -1.912 1.00 . A A . 1 MET H3 1 1 24 6518 1 1 1 MET HA H -12.885 2.888 -2.351 1.00 . A A . 1 MET HA 1 1 24 6519 1 1 1 MET HB2 H -12.099 3.644 -0.010 1.00 . A A . 1 MET HB2 1 1 24 6520 1 1 1 MET HB3 H -13.799 3.802 -0.378 1.00 . A A . 1 MET HB3 1 1 24 6521 1 1 1 MET HE1 H -12.145 4.250 2.790 1.00 . A A . 1 MET HE1 1 1 24 6522 1 1 1 MET HE2 H -13.374 4.953 3.842 1.00 . A A . 1 MET HE2 1 1 24 6523 1 1 1 MET HE3 H -12.805 3.306 4.126 1.00 . A A . 1 MET HE3 1 1 24 6524 1 1 1 MET HG2 H -13.908 1.480 0.957 1.00 . A A . 1 MET HG2 1 1 24 6525 1 1 1 MET HG3 H -12.418 2.111 1.656 1.00 . A A . 1 MET HG3 1 1 24 6526 1 1 1 MET N N -13.881 1.178 -1.694 1.00 . A A . 1 MET N 1 1 24 6527 1 1 1 MET O O -11.143 0.525 -0.937 1.00 . A A . 1 MET O 1 1 24 6528 1 1 1 MET SD S -14.314 3.414 2.286 1.00 . A A . 1 MET SD 1 1 24 6529 1 1 2 GLN C C -8.126 3.138 -1.931 1.00 . A A . 2 GLN C 1 1 24 6530 1 1 2 GLN CA C -9.021 2.001 -2.484 1.00 . A A . 2 GLN CA 1 1 24 6531 1 1 2 GLN CB C -8.686 1.678 -3.965 1.00 . A A . 2 GLN CB 1 1 24 6532 1 1 2 GLN CD C -8.920 -0.016 -5.867 1.00 . A A . 2 GLN CD 1 1 24 6533 1 1 2 GLN CG C -8.909 0.216 -4.354 1.00 . A A . 2 GLN CG 1 1 24 6534 1 1 2 GLN H H -10.771 3.179 -2.720 1.00 . A A . 2 GLN H 1 1 24 6535 1 1 2 GLN HA H -8.834 1.118 -1.886 1.00 . A A . 2 GLN HA 1 1 24 6536 1 1 2 GLN HB2 H -9.298 2.296 -4.604 1.00 . A A . 2 GLN HB2 1 1 24 6537 1 1 2 GLN HB3 H -7.644 1.915 -4.139 1.00 . A A . 2 GLN HB3 1 1 24 6538 1 1 2 GLN HE21 H -6.945 -0.391 -5.898 1.00 . A A . 2 GLN HE21 1 1 24 6539 1 1 2 GLN HE22 H -7.754 -0.476 -7.422 1.00 . A A . 2 GLN HE22 1 1 24 6540 1 1 2 GLN HG2 H -8.116 -0.379 -3.923 1.00 . A A . 2 GLN HG2 1 1 24 6541 1 1 2 GLN HG3 H -9.857 -0.108 -3.949 1.00 . A A . 2 GLN HG3 1 1 24 6542 1 1 2 GLN N N -10.459 2.346 -2.299 1.00 . A A . 2 GLN N 1 1 24 6543 1 1 2 GLN NE2 N -7.754 -0.325 -6.453 1.00 . A A . 2 GLN NE2 1 1 24 6544 1 1 2 GLN O O -8.353 4.353 -2.256 1.00 . A A . 2 GLN O 1 1 24 6545 1 1 2 GLN OE1 O -9.971 0.067 -6.509 1.00 . A A . 2 GLN OE1 1 1 24 6546 1 1 3 ILE C C -4.759 2.846 -0.305 1.00 . A A . 3 ILE C 1 1 24 6547 1 1 3 ILE CA C -6.123 3.576 -0.365 1.00 . A A . 3 ILE CA 1 1 24 6548 1 1 3 ILE CB C -6.581 4.157 1.075 1.00 . A A . 3 ILE CB 1 1 24 6549 1 1 3 ILE CD1 C -6.687 2.851 3.354 1.00 . A A . 3 ILE CD1 1 1 24 6550 1 1 3 ILE CG1 C -7.348 3.120 2.011 1.00 . A A . 3 ILE CG1 1 1 24 6551 1 1 3 ILE CG2 C -7.430 5.425 0.863 1.00 . A A . 3 ILE CG2 1 1 24 6552 1 1 3 ILE H H -7.073 1.739 -0.883 1.00 . A A . 3 ILE H 1 1 24 6553 1 1 3 ILE HA H -5.974 4.428 -1.023 1.00 . A A . 3 ILE HA 1 1 24 6554 1 1 3 ILE HB H -5.676 4.476 1.575 1.00 . A A . 3 ILE HB 1 1 24 6555 1 1 3 ILE HD11 H -6.096 3.707 3.640 1.00 . A A . 3 ILE HD11 1 1 24 6556 1 1 3 ILE HD12 H -7.453 2.676 4.096 1.00 . A A . 3 ILE HD12 1 1 24 6557 1 1 3 ILE HD13 H -6.054 1.982 3.275 1.00 . A A . 3 ILE HD13 1 1 24 6558 1 1 3 ILE HG21 H -6.848 6.163 0.329 1.00 . A A . 3 ILE HG21 1 1 24 6559 1 1 3 ILE HG22 H -8.311 5.177 0.291 1.00 . A A . 3 ILE HG22 1 1 24 6560 1 1 3 ILE HG23 H -7.723 5.826 1.822 1.00 . A A . 3 ILE HG23 1 1 24 6561 1 1 3 ILE N N -7.130 2.703 -1.068 1.00 . A A . 3 ILE N 1 1 24 6562 1 1 3 ILE O O -4.688 1.694 0.227 1.00 . A A . 3 ILE O 1 1 24 6563 1 1 4 PHE C C -1.333 3.707 -0.067 1.00 . A A . 4 PHE C 1 1 24 6564 1 1 4 PHE CA C -2.316 3.039 -1.063 1.00 . A A . 4 PHE CA 1 1 24 6565 1 1 4 PHE CB C -1.843 3.260 -2.542 1.00 . A A . 4 PHE CB 1 1 24 6566 1 1 4 PHE CD1 C -3.084 1.631 -4.286 1.00 . A A . 4 PHE CD1 1 1 24 6567 1 1 4 PHE CD2 C -0.561 1.205 -3.658 1.00 . A A . 4 PHE CD2 1 1 24 6568 1 1 4 PHE CE1 C -3.048 0.449 -5.229 1.00 . A A . 4 PHE CE1 1 1 24 6569 1 1 4 PHE CE2 C -0.532 0.017 -4.597 1.00 . A A . 4 PHE CE2 1 1 24 6570 1 1 4 PHE CG C -1.837 2.034 -3.474 1.00 . A A . 4 PHE CG 1 1 24 6571 1 1 4 PHE CZ C -1.774 -0.360 -5.383 1.00 . A A . 4 PHE CZ 1 1 24 6572 1 1 4 PHE H H -3.920 4.399 -1.337 1.00 . A A . 4 PHE H 1 1 24 6573 1 1 4 PHE HA H -2.327 1.979 -0.865 1.00 . A A . 4 PHE HA 1 1 24 6574 1 1 4 PHE HB2 H -2.487 3.994 -2.998 1.00 . A A . 4 PHE HB2 1 1 24 6575 1 1 4 PHE HB3 H -0.837 3.654 -2.520 1.00 . A A . 4 PHE HB3 1 1 24 6576 1 1 4 PHE HD1 H -3.998 2.192 -4.170 1.00 . A A . 4 PHE HD1 1 1 24 6577 1 1 4 PHE HD2 H 0.326 1.468 -3.100 1.00 . A A . 4 PHE HD2 1 1 24 6578 1 1 4 PHE HE1 H -3.933 0.176 -5.781 1.00 . A A . 4 PHE HE1 1 1 24 6579 1 1 4 PHE HE2 H 0.373 -0.560 -4.706 1.00 . A A . 4 PHE HE2 1 1 24 6580 1 1 4 PHE HZ H -1.750 -1.204 -6.056 1.00 . A A . 4 PHE HZ 1 1 24 6581 1 1 4 PHE N N -3.717 3.530 -0.924 1.00 . A A . 4 PHE N 1 1 24 6582 1 1 4 PHE O O -1.465 4.935 0.225 1.00 . A A . 4 PHE O 1 1 24 6583 1 1 5 VAL C C 2.069 2.484 0.971 1.00 . A A . 5 VAL C 1 1 24 6584 1 1 5 VAL CA C 0.757 3.217 1.380 1.00 . A A . 5 VAL CA 1 1 24 6585 1 1 5 VAL CB C 0.419 3.024 2.950 1.00 . A A . 5 VAL CB 1 1 24 6586 1 1 5 VAL CG1 C -0.414 4.194 3.461 1.00 . A A . 5 VAL CG1 1 1 24 6587 1 1 5 VAL CG2 C -0.282 1.687 3.351 1.00 . A A . 5 VAL CG2 1 1 24 6588 1 1 5 VAL H H -0.355 1.921 0.099 1.00 . A A . 5 VAL H 1 1 24 6589 1 1 5 VAL HA H 0.940 4.276 1.219 1.00 . A A . 5 VAL HA 1 1 24 6590 1 1 5 VAL HB H 1.365 3.065 3.478 1.00 . A A . 5 VAL HB 1 1 24 6591 1 1 5 VAL HG11 H 0.130 5.115 3.314 1.00 . A A . 5 VAL HG11 1 1 24 6592 1 1 5 VAL HG12 H -1.346 4.237 2.917 1.00 . A A . 5 VAL HG12 1 1 24 6593 1 1 5 VAL HG13 H -0.616 4.058 4.513 1.00 . A A . 5 VAL HG13 1 1 24 6594 1 1 5 VAL HG21 H 0.241 0.857 2.898 1.00 . A A . 5 VAL HG21 1 1 24 6595 1 1 5 VAL HG22 H -0.263 1.578 4.426 1.00 . A A . 5 VAL HG22 1 1 24 6596 1 1 5 VAL HG23 H -1.306 1.700 3.009 1.00 . A A . 5 VAL HG23 1 1 24 6597 1 1 5 VAL N N -0.347 2.851 0.417 1.00 . A A . 5 VAL N 1 1 24 6598 1 1 5 VAL O O 2.045 1.223 0.808 1.00 . A A . 5 VAL O 1 1 24 6599 1 1 6 LYS C C 5.611 3.036 1.444 1.00 . A A . 6 LYS C 1 1 24 6600 1 1 6 LYS CA C 4.533 2.844 0.341 1.00 . A A . 6 LYS CA 1 1 24 6601 1 1 6 LYS CB C 4.957 3.546 -0.974 1.00 . A A . 6 LYS CB 1 1 24 6602 1 1 6 LYS CD C 5.221 3.245 -3.487 1.00 . A A . 6 LYS CD 1 1 24 6603 1 1 6 LYS CE C 4.456 2.946 -4.769 1.00 . A A . 6 LYS CE 1 1 24 6604 1 1 6 LYS CG C 4.412 2.880 -2.245 1.00 . A A . 6 LYS CG 1 1 24 6605 1 1 6 LYS H H 3.053 4.277 0.904 1.00 . A A . 6 LYS H 1 1 24 6606 1 1 6 LYS HA H 4.450 1.781 0.147 1.00 . A A . 6 LYS HA 1 1 24 6607 1 1 6 LYS HB2 H 4.605 4.566 -0.950 1.00 . A A . 6 LYS HB2 1 1 24 6608 1 1 6 LYS HB3 H 6.036 3.549 -1.025 1.00 . A A . 6 LYS HB3 1 1 24 6609 1 1 6 LYS HD2 H 5.454 4.298 -3.459 1.00 . A A . 6 LYS HD2 1 1 24 6610 1 1 6 LYS HD3 H 6.136 2.672 -3.485 1.00 . A A . 6 LYS HD3 1 1 24 6611 1 1 6 LYS HE2 H 4.055 1.944 -4.708 1.00 . A A . 6 LYS HE2 1 1 24 6612 1 1 6 LYS HE3 H 3.645 3.653 -4.862 1.00 . A A . 6 LYS HE3 1 1 24 6613 1 1 6 LYS HG2 H 4.442 1.809 -2.116 1.00 . A A . 6 LYS HG2 1 1 24 6614 1 1 6 LYS HG3 H 3.387 3.196 -2.386 1.00 . A A . 6 LYS HG3 1 1 24 6615 1 1 6 LYS HZ1 H 5.825 3.958 -5.978 1.00 . A A . 6 LYS HZ1 1 1 24 6616 1 1 6 LYS HZ2 H 6.031 2.278 -5.968 1.00 . A A . 6 LYS HZ2 1 1 24 6617 1 1 6 LYS HZ3 H 4.754 2.969 -6.836 1.00 . A A . 6 LYS HZ3 1 1 24 6618 1 1 6 LYS N N 3.172 3.310 0.775 1.00 . A A . 6 LYS N 1 1 24 6619 1 1 6 LYS NZ N 5.327 3.045 -5.972 1.00 . A A . 6 LYS NZ 1 1 24 6620 1 1 6 LYS O O 5.586 4.068 2.180 1.00 . A A . 6 LYS O 1 1 24 6621 1 1 7 THR C C 9.019 2.486 1.897 1.00 . A A . 7 THR C 1 1 24 6622 1 1 7 THR CA C 7.701 1.898 2.485 1.00 . A A . 7 THR CA 1 1 24 6623 1 1 7 THR CB C 7.980 0.418 2.932 1.00 . A A . 7 THR CB 1 1 24 6624 1 1 7 THR CG2 C 7.019 -0.052 4.029 1.00 . A A . 7 THR CG2 1 1 24 6625 1 1 7 THR H H 6.437 1.254 0.885 1.00 . A A . 7 THR H 1 1 24 6626 1 1 7 THR HA H 7.440 2.468 3.365 1.00 . A A . 7 THR HA 1 1 24 6627 1 1 7 THR HB H 8.982 0.383 3.329 1.00 . A A . 7 THR HB 1 1 24 6628 1 1 7 THR HG1 H 8.647 -0.289 1.216 1.00 . A A . 7 THR HG1 1 1 24 6629 1 1 7 THR HG21 H 6.959 0.700 4.802 1.00 . A A . 7 THR HG21 1 1 24 6630 1 1 7 THR HG22 H 6.038 -0.210 3.606 1.00 . A A . 7 THR HG22 1 1 24 6631 1 1 7 THR HG23 H 7.382 -0.976 4.454 1.00 . A A . 7 THR HG23 1 1 24 6632 1 1 7 THR N N 6.538 2.000 1.517 1.00 . A A . 7 THR N 1 1 24 6633 1 1 7 THR O O 9.847 3.032 2.678 1.00 . A A . 7 THR O 1 1 24 6634 1 1 7 THR OG1 O 7.920 -0.475 1.816 1.00 . A A . 7 THR OG1 1 1 24 6635 1 1 8 LEU C C 11.641 1.838 -0.268 1.00 . A A . 8 LEU C 1 1 24 6636 1 1 8 LEU CA C 10.394 2.809 -0.380 1.00 . A A . 8 LEU CA 1 1 24 6637 1 1 8 LEU CB C 10.802 4.337 -0.176 1.00 . A A . 8 LEU CB 1 1 24 6638 1 1 8 LEU CD1 C 9.312 6.414 0.022 1.00 . A A . 8 LEU CD1 1 1 24 6639 1 1 8 LEU CD2 C 10.659 6.078 -2.059 1.00 . A A . 8 LEU CD2 1 1 24 6640 1 1 8 LEU CG C 9.899 5.372 -0.929 1.00 . A A . 8 LEU CG 1 1 24 6641 1 1 8 LEU H H 8.476 1.900 0.010 1.00 . A A . 8 LEU H 1 1 24 6642 1 1 8 LEU HA H 10.040 2.712 -1.400 1.00 . A A . 8 LEU HA 1 1 24 6643 1 1 8 LEU HB2 H 10.772 4.541 0.888 1.00 . A A . 8 LEU HB2 1 1 24 6644 1 1 8 LEU HB3 H 11.826 4.451 -0.505 1.00 . A A . 8 LEU HB3 1 1 24 6645 1 1 8 LEU HD11 H 8.727 5.919 0.782 1.00 . A A . 8 LEU HD11 1 1 24 6646 1 1 8 LEU HD12 H 10.114 6.969 0.488 1.00 . A A . 8 LEU HD12 1 1 24 6647 1 1 8 LEU HD13 H 8.681 7.093 -0.533 1.00 . A A . 8 LEU HD13 1 1 24 6648 1 1 8 LEU HD21 H 11.172 5.342 -2.661 1.00 . A A . 8 LEU HD21 1 1 24 6649 1 1 8 LEU HD22 H 9.962 6.624 -2.676 1.00 . A A . 8 LEU HD22 1 1 24 6650 1 1 8 LEU HD23 H 11.378 6.763 -1.636 1.00 . A A . 8 LEU HD23 1 1 24 6651 1 1 8 LEU HG H 9.069 4.845 -1.377 1.00 . A A . 8 LEU HG 1 1 24 6652 1 1 8 LEU N N 9.199 2.354 0.492 1.00 . A A . 8 LEU N 1 1 24 6653 1 1 8 LEU O O 12.591 1.942 -1.116 1.00 . A A . 8 LEU O 1 1 24 6654 1 1 9 ASP C C 12.649 -1.337 -0.048 1.00 . A A . 9 ASP C 1 1 24 6655 1 1 9 ASP CA C 12.632 -0.200 1.022 1.00 . A A . 9 ASP CA 1 1 24 6656 1 1 9 ASP CB C 12.441 -0.797 2.439 1.00 . A A . 9 ASP CB 1 1 24 6657 1 1 9 ASP CG C 13.756 -1.037 3.173 1.00 . A A . 9 ASP CG 1 1 24 6658 1 1 9 ASP H H 10.781 0.846 1.303 1.00 . A A . 9 ASP H 1 1 24 6659 1 1 9 ASP HA H 13.593 0.295 0.991 1.00 . A A . 9 ASP HA 1 1 24 6660 1 1 9 ASP HB2 H 11.846 -0.115 3.029 1.00 . A A . 9 ASP HB2 1 1 24 6661 1 1 9 ASP HB3 H 11.919 -1.739 2.356 1.00 . A A . 9 ASP HB3 1 1 24 6662 1 1 9 ASP N N 11.586 0.861 0.743 1.00 . A A . 9 ASP N 1 1 24 6663 1 1 9 ASP O O 13.773 -1.795 -0.397 1.00 . A A . 9 ASP O 1 1 24 6664 1 1 9 ASP OD1 O 14.317 -2.150 3.044 1.00 . A A . 9 ASP OD1 1 1 24 6665 1 1 9 ASP OD2 O 14.218 -0.120 3.889 1.00 . A A . 9 ASP OD2 1 1 24 6666 1 1 10 GLY C C 9.945 -3.658 -1.420 1.00 . A A . 10 GLY C 1 1 24 6667 1 1 10 GLY CA C 11.202 -2.792 -1.599 1.00 . A A . 10 GLY CA 1 1 24 6668 1 1 10 GLY H H 10.601 -1.287 -0.206 1.00 . A A . 10 GLY H 1 1 24 6669 1 1 10 GLY HA2 H 12.068 -3.440 -1.596 1.00 . A A . 10 GLY HA2 1 1 24 6670 1 1 10 GLY HA3 H 11.144 -2.310 -2.561 1.00 . A A . 10 GLY HA3 1 1 24 6671 1 1 10 GLY N N 11.401 -1.740 -0.554 1.00 . A A . 10 GLY N 1 1 24 6672 1 1 10 GLY O O 10.027 -4.875 -1.726 1.00 . A A . 10 GLY O 1 1 24 6673 1 1 11 LYS C C 6.271 -2.631 -0.890 1.00 . A A . 11 LYS C 1 1 24 6674 1 1 11 LYS CA C 7.431 -3.656 -0.699 1.00 . A A . 11 LYS CA 1 1 24 6675 1 1 11 LYS CB C 7.295 -4.434 0.694 1.00 . A A . 11 LYS CB 1 1 24 6676 1 1 11 LYS CD C 8.049 -4.717 3.127 1.00 . A A . 11 LYS CD 1 1 24 6677 1 1 11 LYS CE C 8.094 -4.032 4.485 1.00 . A A . 11 LYS CE 1 1 24 6678 1 1 11 LYS CG C 7.773 -3.727 2.001 1.00 . A A . 11 LYS CG 1 1 24 6679 1 1 11 LYS H H 8.864 -2.050 -0.749 1.00 . A A . 11 LYS H 1 1 24 6680 1 1 11 LYS HA H 7.320 -4.390 -1.491 1.00 . A A . 11 LYS HA 1 1 24 6681 1 1 11 LYS HB2 H 6.254 -4.678 0.833 1.00 . A A . 11 LYS HB2 1 1 24 6682 1 1 11 LYS HB3 H 7.844 -5.362 0.600 1.00 . A A . 11 LYS HB3 1 1 24 6683 1 1 11 LYS HD2 H 7.270 -5.463 3.136 1.00 . A A . 11 LYS HD2 1 1 24 6684 1 1 11 LYS HD3 H 9.001 -5.191 2.943 1.00 . A A . 11 LYS HD3 1 1 24 6685 1 1 11 LYS HE2 H 8.999 -3.448 4.551 1.00 . A A . 11 LYS HE2 1 1 24 6686 1 1 11 LYS HE3 H 7.237 -3.379 4.573 1.00 . A A . 11 LYS HE3 1 1 24 6687 1 1 11 LYS HG2 H 8.680 -3.183 1.790 1.00 . A A . 11 LYS HG2 1 1 24 6688 1 1 11 LYS HG3 H 7.005 -3.035 2.318 1.00 . A A . 11 LYS HG3 1 1 24 6689 1 1 11 LYS HZ1 H 8.855 -5.689 5.505 1.00 . A A . 11 LYS HZ1 1 1 24 6690 1 1 11 LYS HZ2 H 8.165 -4.521 6.516 1.00 . A A . 11 LYS HZ2 1 1 24 6691 1 1 11 LYS HZ3 H 7.173 -5.541 5.600 1.00 . A A . 11 LYS HZ3 1 1 24 6692 1 1 11 LYS N N 8.794 -3.011 -0.939 1.00 . A A . 11 LYS N 1 1 24 6693 1 1 11 LYS NZ N 8.070 -5.015 5.604 1.00 . A A . 11 LYS NZ 1 1 24 6694 1 1 11 LYS O O 6.397 -1.469 -0.410 1.00 . A A . 11 LYS O 1 1 24 6695 1 1 12 THR C C 2.642 -3.153 -1.575 1.00 . A A . 12 THR C 1 1 24 6696 1 1 12 THR CA C 3.914 -2.317 -1.894 1.00 . A A . 12 THR CA 1 1 24 6697 1 1 12 THR CB C 3.854 -1.782 -3.375 1.00 . A A . 12 THR CB 1 1 24 6698 1 1 12 THR CG2 C 4.734 -0.546 -3.581 1.00 . A A . 12 THR CG2 1 1 24 6699 1 1 12 THR H H 5.189 -4.037 -1.905 1.00 . A A . 12 THR H 1 1 24 6700 1 1 12 THR HA H 3.918 -1.456 -1.234 1.00 . A A . 12 THR HA 1 1 24 6701 1 1 12 THR HB H 2.832 -1.500 -3.582 1.00 . A A . 12 THR HB 1 1 24 6702 1 1 12 THR HG1 H 3.534 -2.935 -4.949 1.00 . A A . 12 THR HG1 1 1 24 6703 1 1 12 THR HG21 H 5.666 -0.676 -3.049 1.00 . A A . 12 THR HG21 1 1 24 6704 1 1 12 THR HG22 H 4.935 -0.418 -4.634 1.00 . A A . 12 THR HG22 1 1 24 6705 1 1 12 THR HG23 H 4.224 0.326 -3.203 1.00 . A A . 12 THR HG23 1 1 24 6706 1 1 12 THR N N 5.164 -3.108 -1.588 1.00 . A A . 12 THR N 1 1 24 6707 1 1 12 THR O O 2.564 -4.357 -1.983 1.00 . A A . 12 THR O 1 1 24 6708 1 1 12 THR OG1 O 4.238 -2.804 -4.309 1.00 . A A . 12 THR OG1 1 1 24 6709 1 1 13 ILE C C -0.778 -2.008 -0.227 1.00 . A A . 13 ILE C 1 1 24 6710 1 1 13 ILE CA C 0.348 -3.082 -0.344 1.00 . A A . 13 ILE CA 1 1 24 6711 1 1 13 ILE CB C 0.417 -3.950 1.022 1.00 . A A . 13 ILE CB 1 1 24 6712 1 1 13 ILE CD1 C 0.388 -3.109 3.518 1.00 . A A . 13 ILE CD1 1 1 24 6713 1 1 13 ILE CG1 C 1.206 -3.271 2.238 1.00 . A A . 13 ILE CG1 1 1 24 6714 1 1 13 ILE CG2 C 0.979 -5.352 0.722 1.00 . A A . 13 ILE CG2 1 1 24 6715 1 1 13 ILE H H 1.862 -1.563 -0.539 1.00 . A A . 13 ILE H 1 1 24 6716 1 1 13 ILE HA H 0.041 -3.760 -1.132 1.00 . A A . 13 ILE HA 1 1 24 6717 1 1 13 ILE HB H -0.612 -4.103 1.327 1.00 . A A . 13 ILE HB 1 1 24 6718 1 1 13 ILE HD11 H -0.044 -4.063 3.783 1.00 . A A . 13 ILE HD11 1 1 24 6719 1 1 13 ILE HD12 H 1.029 -2.768 4.316 1.00 . A A . 13 ILE HD12 1 1 24 6720 1 1 13 ILE HD13 H -0.401 -2.390 3.352 1.00 . A A . 13 ILE HD13 1 1 24 6721 1 1 13 ILE HG12 H 2.080 -3.854 2.485 1.00 . A A . 13 ILE HG12 1 1 24 6722 1 1 13 ILE HG13 H 1.521 -2.284 1.930 1.00 . A A . 13 ILE HG13 1 1 24 6723 1 1 13 ILE HG21 H 1.971 -5.262 0.304 1.00 . A A . 13 ILE HG21 1 1 24 6724 1 1 13 ILE HG22 H 1.027 -5.919 1.641 1.00 . A A . 13 ILE HG22 1 1 24 6725 1 1 13 ILE HG23 H 0.335 -5.858 0.018 1.00 . A A . 13 ILE HG23 1 1 24 6726 1 1 13 ILE N N 1.673 -2.488 -0.812 1.00 . A A . 13 ILE N 1 1 24 6727 1 1 13 ILE O O -0.495 -0.877 0.259 1.00 . A A . 13 ILE O 1 1 24 6728 1 1 14 THR C C -4.381 -2.280 0.323 1.00 . A A . 14 THR C 1 1 24 6729 1 1 14 THR CA C -3.303 -1.609 -0.598 1.00 . A A . 14 THR CA 1 1 24 6730 1 1 14 THR CB C -3.879 -1.181 -2.046 1.00 . A A . 14 THR CB 1 1 24 6731 1 1 14 THR CG2 C -4.159 -2.326 -3.064 1.00 . A A . 14 THR CG2 1 1 24 6732 1 1 14 THR H H -2.125 -3.353 -0.978 1.00 . A A . 14 THR H 1 1 24 6733 1 1 14 THR HA H -3.018 -0.688 -0.097 1.00 . A A . 14 THR HA 1 1 24 6734 1 1 14 THR HB H -3.134 -0.535 -2.494 1.00 . A A . 14 THR HB 1 1 24 6735 1 1 14 THR HG1 H -4.840 0.539 -1.842 1.00 . A A . 14 THR HG1 1 1 24 6736 1 1 14 THR HG21 H -3.336 -3.025 -3.056 1.00 . A A . 14 THR HG21 1 1 24 6737 1 1 14 THR HG22 H -5.070 -2.836 -2.791 1.00 . A A . 14 THR HG22 1 1 24 6738 1 1 14 THR HG23 H -4.262 -1.901 -4.053 1.00 . A A . 14 THR HG23 1 1 24 6739 1 1 14 THR N N -2.039 -2.432 -0.646 1.00 . A A . 14 THR N 1 1 24 6740 1 1 14 THR O O -4.491 -3.543 0.335 1.00 . A A . 14 THR O 1 1 24 6741 1 1 14 THR OG1 O -5.077 -0.388 -1.922 1.00 . A A . 14 THR OG1 1 1 24 6742 1 1 15 LEU C C -7.632 -1.440 1.351 1.00 . A A . 15 LEU C 1 1 24 6743 1 1 15 LEU CA C -6.245 -1.744 1.985 1.00 . A A . 15 LEU CA 1 1 24 6744 1 1 15 LEU CB C -6.036 -1.035 3.351 1.00 . A A . 15 LEU CB 1 1 24 6745 1 1 15 LEU CD1 C -5.109 -2.076 5.505 1.00 . A A . 15 LEU CD1 1 1 24 6746 1 1 15 LEU CD2 C -7.497 -1.337 5.440 1.00 . A A . 15 LEU CD2 1 1 24 6747 1 1 15 LEU CG C -6.341 -1.910 4.617 1.00 . A A . 15 LEU CG 1 1 24 6748 1 1 15 LEU H H -4.964 -0.421 0.924 1.00 . A A . 15 LEU H 1 1 24 6749 1 1 15 LEU HA H -6.181 -2.813 2.139 1.00 . A A . 15 LEU HA 1 1 24 6750 1 1 15 LEU HB2 H -5.003 -0.702 3.386 1.00 . A A . 15 LEU HB2 1 1 24 6751 1 1 15 LEU HB3 H -6.668 -0.159 3.365 1.00 . A A . 15 LEU HB3 1 1 24 6752 1 1 15 LEU HD11 H -4.316 -2.541 4.938 1.00 . A A . 15 LEU HD11 1 1 24 6753 1 1 15 LEU HD12 H -4.783 -1.106 5.852 1.00 . A A . 15 LEU HD12 1 1 24 6754 1 1 15 LEU HD13 H -5.357 -2.696 6.354 1.00 . A A . 15 LEU HD13 1 1 24 6755 1 1 15 LEU HD21 H -7.244 -0.340 5.769 1.00 . A A . 15 LEU HD21 1 1 24 6756 1 1 15 LEU HD22 H -8.388 -1.300 4.832 1.00 . A A . 15 LEU HD22 1 1 24 6757 1 1 15 LEU HD23 H -7.673 -1.967 6.300 1.00 . A A . 15 LEU HD23 1 1 24 6758 1 1 15 LEU HG H -6.634 -2.900 4.293 1.00 . A A . 15 LEU HG 1 1 24 6759 1 1 15 LEU N N -5.148 -1.381 1.046 1.00 . A A . 15 LEU N 1 1 24 6760 1 1 15 LEU O O -7.860 -0.297 0.837 1.00 . A A . 15 LEU O 1 1 24 6761 1 1 16 GLU C C -10.936 -3.194 1.778 1.00 . A A . 16 GLU C 1 1 24 6762 1 1 16 GLU CA C -9.920 -2.524 0.807 1.00 . A A . 16 GLU CA 1 1 24 6763 1 1 16 GLU CB C -9.945 -3.239 -0.572 1.00 . A A . 16 GLU CB 1 1 24 6764 1 1 16 GLU CD C -10.180 -2.842 -3.089 1.00 . A A . 16 GLU CD 1 1 24 6765 1 1 16 GLU CG C -9.639 -2.319 -1.762 1.00 . A A . 16 GLU CG 1 1 24 6766 1 1 16 GLU H H -8.212 -3.360 1.775 1.00 . A A . 16 GLU H 1 1 24 6767 1 1 16 GLU HA H -10.215 -1.493 0.671 1.00 . A A . 16 GLU HA 1 1 24 6768 1 1 16 GLU HB2 H -9.212 -4.032 -0.564 1.00 . A A . 16 GLU HB2 1 1 24 6769 1 1 16 GLU HB3 H -10.924 -3.669 -0.721 1.00 . A A . 16 GLU HB3 1 1 24 6770 1 1 16 GLU HG2 H -10.079 -1.351 -1.571 1.00 . A A . 16 GLU HG2 1 1 24 6771 1 1 16 GLU HG3 H -8.564 -2.208 -1.849 1.00 . A A . 16 GLU HG3 1 1 24 6772 1 1 16 GLU N N -8.523 -2.519 1.373 1.00 . A A . 16 GLU N 1 1 24 6773 1 1 16 GLU O O -10.572 -4.190 2.480 1.00 . A A . 16 GLU O 1 1 24 6774 1 1 16 GLU OE1 O -11.335 -2.503 -3.440 1.00 . A A . 16 GLU OE1 1 1 24 6775 1 1 16 GLU OE2 O -9.446 -3.579 -3.788 1.00 . A A . 16 GLU OE2 1 1 24 6776 1 1 17 VAL C C -14.158 -4.245 1.969 1.00 . A A . 17 VAL C 1 1 24 6777 1 1 17 VAL CA C -13.380 -3.077 2.638 1.00 . A A . 17 VAL CA 1 1 24 6778 1 1 17 VAL CB C -14.392 -1.915 3.117 1.00 . A A . 17 VAL CB 1 1 24 6779 1 1 17 VAL CG1 C -13.809 -1.155 4.304 1.00 . A A . 17 VAL CG1 1 1 24 6780 1 1 17 VAL CG2 C -14.845 -0.889 2.028 1.00 . A A . 17 VAL CG2 1 1 24 6781 1 1 17 VAL H H -12.367 -1.848 1.195 1.00 . A A . 17 VAL H 1 1 24 6782 1 1 17 VAL HA H -12.935 -3.493 3.535 1.00 . A A . 17 VAL HA 1 1 24 6783 1 1 17 VAL HB H -15.282 -2.415 3.479 1.00 . A A . 17 VAL HB 1 1 24 6784 1 1 17 VAL HG11 H -13.542 -1.852 5.083 1.00 . A A . 17 VAL HG11 1 1 24 6785 1 1 17 VAL HG12 H -12.929 -0.613 3.987 1.00 . A A . 17 VAL HG12 1 1 24 6786 1 1 17 VAL HG13 H -14.543 -0.458 4.680 1.00 . A A . 17 VAL HG13 1 1 24 6787 1 1 17 VAL HG21 H -15.349 -1.412 1.228 1.00 . A A . 17 VAL HG21 1 1 24 6788 1 1 17 VAL HG22 H -15.517 -0.168 2.470 1.00 . A A . 17 VAL HG22 1 1 24 6789 1 1 17 VAL HG23 H -13.980 -0.378 1.634 1.00 . A A . 17 VAL HG23 1 1 24 6790 1 1 17 VAL N N -12.209 -2.617 1.787 1.00 . A A . 17 VAL N 1 1 24 6791 1 1 17 VAL O O -14.434 -4.172 0.745 1.00 . A A . 17 VAL O 1 1 24 6792 1 1 17 VAL OXT O -14.478 -5.217 2.683 1.00 . A A . 17 VAL OXT 1 1 25 6793 1 1 1 MET C C -11.576 1.108 -0.747 1.00 . A A . 1 MET C 1 1 25 6794 1 1 1 MET CA C -13.005 1.615 -0.394 1.00 . A A . 1 MET CA 1 1 25 6795 1 1 1 MET CB C -12.993 2.394 0.948 1.00 . A A . 1 MET CB 1 1 25 6796 1 1 1 MET CE C -14.825 5.154 2.537 1.00 . A A . 1 MET CE 1 1 25 6797 1 1 1 MET CG C -13.019 3.921 0.813 1.00 . A A . 1 MET CG 1 1 25 6798 1 1 1 MET H1 H -14.025 -0.038 -1.171 1.00 . A A . 1 MET H1 1 1 25 6799 1 1 1 MET H2 H -13.718 -0.144 0.489 1.00 . A A . 1 MET H2 1 1 25 6800 1 1 1 MET H3 H -14.938 0.879 -0.080 1.00 . A A . 1 MET H3 1 1 25 6801 1 1 1 MET HA H -13.339 2.273 -1.182 1.00 . A A . 1 MET HA 1 1 25 6802 1 1 1 MET HB2 H -13.857 2.101 1.527 1.00 . A A . 1 MET HB2 1 1 25 6803 1 1 1 MET HB3 H -12.101 2.123 1.496 1.00 . A A . 1 MET HB3 1 1 25 6804 1 1 1 MET HE1 H -14.462 4.374 3.192 1.00 . A A . 1 MET HE1 1 1 25 6805 1 1 1 MET HE2 H -14.232 6.046 2.674 1.00 . A A . 1 MET HE2 1 1 25 6806 1 1 1 MET HE3 H -15.858 5.368 2.768 1.00 . A A . 1 MET HE3 1 1 25 6807 1 1 1 MET HG2 H -12.463 4.349 1.635 1.00 . A A . 1 MET HG2 1 1 25 6808 1 1 1 MET HG3 H -12.545 4.197 -0.118 1.00 . A A . 1 MET HG3 1 1 25 6809 1 1 1 MET N N -13.991 0.500 -0.281 1.00 . A A . 1 MET N 1 1 25 6810 1 1 1 MET O O -11.156 0.009 -0.259 1.00 . A A . 1 MET O 1 1 25 6811 1 1 1 MET SD S -14.693 4.603 0.835 1.00 . A A . 1 MET SD 1 1 25 6812 1 1 2 GLN C C -8.593 2.990 -1.781 1.00 . A A . 2 GLN C 1 1 25 6813 1 1 2 GLN CA C -9.462 1.728 -2.063 1.00 . A A . 2 GLN CA 1 1 25 6814 1 1 2 GLN CB C -9.438 1.320 -3.568 1.00 . A A . 2 GLN CB 1 1 25 6815 1 1 2 GLN CD C -8.259 0.012 -5.429 1.00 . A A . 2 GLN CD 1 1 25 6816 1 1 2 GLN CG C -8.435 0.212 -3.921 1.00 . A A . 2 GLN CG 1 1 25 6817 1 1 2 GLN H H -11.293 2.785 -1.887 1.00 . A A . 2 GLN H 1 1 25 6818 1 1 2 GLN HA H -9.062 0.914 -1.474 1.00 . A A . 2 GLN HA 1 1 25 6819 1 1 2 GLN HB2 H -10.420 0.975 -3.846 1.00 . A A . 2 GLN HB2 1 1 25 6820 1 1 2 GLN HB3 H -9.194 2.189 -4.156 1.00 . A A . 2 GLN HB3 1 1 25 6821 1 1 2 GLN HE21 H -6.732 1.319 -5.499 1.00 . A A . 2 GLN HE21 1 1 25 6822 1 1 2 GLN HE22 H -7.171 0.589 -7.002 1.00 . A A . 2 GLN HE22 1 1 25 6823 1 1 2 GLN HG2 H -7.477 0.467 -3.497 1.00 . A A . 2 GLN HG2 1 1 25 6824 1 1 2 GLN HG3 H -8.780 -0.716 -3.490 1.00 . A A . 2 GLN HG3 1 1 25 6825 1 1 2 GLN N N -10.857 1.956 -1.589 1.00 . A A . 2 GLN N 1 1 25 6826 1 1 2 GLN NE2 N -7.288 0.711 -6.037 1.00 . A A . 2 GLN NE2 1 1 25 6827 1 1 2 GLN O O -8.994 4.141 -2.152 1.00 . A A . 2 GLN O 1 1 25 6828 1 1 2 GLN OE1 O -8.981 -0.774 -6.047 1.00 . A A . 2 GLN OE1 1 1 25 6829 1 1 3 ILE C C -4.969 3.069 -0.703 1.00 . A A . 3 ILE C 1 1 25 6830 1 1 3 ILE CA C -6.373 3.735 -0.673 1.00 . A A . 3 ILE CA 1 1 25 6831 1 1 3 ILE CB C -6.659 4.516 0.718 1.00 . A A . 3 ILE CB 1 1 25 6832 1 1 3 ILE CD1 C -6.324 3.606 3.161 1.00 . A A . 3 ILE CD1 1 1 25 6833 1 1 3 ILE CG1 C -7.194 3.604 1.912 1.00 . A A . 3 ILE CG1 1 1 25 6834 1 1 3 ILE CG2 C -7.628 5.683 0.451 1.00 . A A . 3 ILE CG2 1 1 25 6835 1 1 3 ILE H H -7.229 1.787 -0.851 1.00 . A A . 3 ILE H 1 1 25 6836 1 1 3 ILE HA H -6.363 4.480 -1.464 1.00 . A A . 3 ILE HA 1 1 25 6837 1 1 3 ILE HB H -5.719 4.962 1.015 1.00 . A A . 3 ILE HB 1 1 25 6838 1 1 3 ILE HD11 H -5.793 4.543 3.228 1.00 . A A . 3 ILE HD11 1 1 25 6839 1 1 3 ILE HD12 H -6.953 3.484 4.032 1.00 . A A . 3 ILE HD12 1 1 25 6840 1 1 3 ILE HD13 H -5.618 2.791 3.110 1.00 . A A . 3 ILE HD13 1 1 25 6841 1 1 3 ILE HG21 H -8.489 5.319 -0.091 1.00 . A A . 3 ILE HG21 1 1 25 6842 1 1 3 ILE HG22 H -7.946 6.108 1.390 1.00 . A A . 3 ILE HG22 1 1 25 6843 1 1 3 ILE HG23 H -7.126 6.439 -0.136 1.00 . A A . 3 ILE HG23 1 1 25 6844 1 1 3 ILE N N -7.412 2.722 -1.094 1.00 . A A . 3 ILE N 1 1 25 6845 1 1 3 ILE O O -4.764 2.021 -0.023 1.00 . A A . 3 ILE O 1 1 25 6846 1 1 4 PHE C C -1.633 3.789 -0.796 1.00 . A A . 4 PHE C 1 1 25 6847 1 1 4 PHE CA C -2.656 3.224 -1.814 1.00 . A A . 4 PHE CA 1 1 25 6848 1 1 4 PHE CB C -2.256 3.599 -3.280 1.00 . A A . 4 PHE CB 1 1 25 6849 1 1 4 PHE CD1 C -3.808 2.264 -5.043 1.00 . A A . 4 PHE CD1 1 1 25 6850 1 1 4 PHE CD2 C -1.237 1.726 -4.854 1.00 . A A . 4 PHE CD2 1 1 25 6851 1 1 4 PHE CE1 C -3.942 1.243 -6.150 1.00 . A A . 4 PHE CE1 1 1 25 6852 1 1 4 PHE CE2 C -1.378 0.696 -5.958 1.00 . A A . 4 PHE CE2 1 1 25 6853 1 1 4 PHE CG C -2.441 2.526 -4.367 1.00 . A A . 4 PHE CG 1 1 25 6854 1 1 4 PHE CZ C -2.728 0.458 -6.608 1.00 . A A . 4 PHE CZ 1 1 25 6855 1 1 4 PHE H H -4.367 4.477 -2.052 1.00 . A A . 4 PHE H 1 1 25 6856 1 1 4 PHE HA H -2.653 2.148 -1.727 1.00 . A A . 4 PHE HA 1 1 25 6857 1 1 4 PHE HB2 H -2.843 4.449 -3.581 1.00 . A A . 4 PHE HB2 1 1 25 6858 1 1 4 PHE HB3 H -1.215 3.884 -3.283 1.00 . A A . 4 PHE HB3 1 1 25 6859 1 1 4 PHE HD1 H -4.677 2.812 -4.712 1.00 . A A . 4 PHE HD1 1 1 25 6860 1 1 4 PHE HD2 H -0.275 1.888 -4.393 1.00 . A A . 4 PHE HD2 1 1 25 6861 1 1 4 PHE HE1 H -4.905 1.066 -6.603 1.00 . A A . 4 PHE HE1 1 1 25 6862 1 1 4 PHE HE2 H -0.517 0.136 -6.284 1.00 . A A . 4 PHE HE2 1 1 25 6863 1 1 4 PHE HZ H -2.825 -0.271 -7.399 1.00 . A A . 4 PHE HZ 1 1 25 6864 1 1 4 PHE N N -4.059 3.686 -1.552 1.00 . A A . 4 PHE N 1 1 25 6865 1 1 4 PHE O O -1.745 4.984 -0.384 1.00 . A A . 4 PHE O 1 1 25 6866 1 1 5 VAL C C 1.778 2.371 0.123 1.00 . A A . 5 VAL C 1 1 25 6867 1 1 5 VAL CA C 0.496 3.149 0.549 1.00 . A A . 5 VAL CA 1 1 25 6868 1 1 5 VAL CB C 0.163 2.905 2.113 1.00 . A A . 5 VAL CB 1 1 25 6869 1 1 5 VAL CG1 C -0.595 4.097 2.683 1.00 . A A . 5 VAL CG1 1 1 25 6870 1 1 5 VAL CG2 C -0.614 1.594 2.462 1.00 . A A . 5 VAL CG2 1 1 25 6871 1 1 5 VAL H H -0.669 1.983 -0.818 1.00 . A A . 5 VAL H 1 1 25 6872 1 1 5 VAL HA H 0.730 4.203 0.433 1.00 . A A . 5 VAL HA 1 1 25 6873 1 1 5 VAL HB H 1.114 2.865 2.631 1.00 . A A . 5 VAL HB 1 1 25 6874 1 1 5 VAL HG11 H -0.051 5.005 2.472 1.00 . A A . 5 VAL HG11 1 1 25 6875 1 1 5 VAL HG12 H -1.575 4.151 2.232 1.00 . A A . 5 VAL HG12 1 1 25 6876 1 1 5 VAL HG13 H -0.698 3.979 3.752 1.00 . A A . 5 VAL HG13 1 1 25 6877 1 1 5 VAL HG21 H -0.076 0.742 2.077 1.00 . A A . 5 VAL HG21 1 1 25 6878 1 1 5 VAL HG22 H -0.705 1.505 3.535 1.00 . A A . 5 VAL HG22 1 1 25 6879 1 1 5 VAL HG23 H -1.597 1.629 2.017 1.00 . A A . 5 VAL HG23 1 1 25 6880 1 1 5 VAL N N -0.640 2.882 -0.420 1.00 . A A . 5 VAL N 1 1 25 6881 1 1 5 VAL O O 1.680 1.142 -0.178 1.00 . A A . 5 VAL O 1 1 25 6882 1 1 6 LYS C C 5.299 2.613 0.908 1.00 . A A . 6 LYS C 1 1 25 6883 1 1 6 LYS CA C 4.301 2.620 -0.288 1.00 . A A . 6 LYS CA 1 1 25 6884 1 1 6 LYS CB C 4.856 3.458 -1.468 1.00 . A A . 6 LYS CB 1 1 25 6885 1 1 6 LYS CD C 5.609 3.422 -3.930 1.00 . A A . 6 LYS CD 1 1 25 6886 1 1 6 LYS CE C 7.055 3.523 -4.424 1.00 . A A . 6 LYS CE 1 1 25 6887 1 1 6 LYS CG C 5.477 2.629 -2.606 1.00 . A A . 6 LYS CG 1 1 25 6888 1 1 6 LYS H H 2.884 4.078 0.346 1.00 . A A . 6 LYS H 1 1 25 6889 1 1 6 LYS HA H 4.169 1.598 -0.616 1.00 . A A . 6 LYS HA 1 1 25 6890 1 1 6 LYS HB2 H 4.050 4.042 -1.883 1.00 . A A . 6 LYS HB2 1 1 25 6891 1 1 6 LYS HB3 H 5.613 4.128 -1.088 1.00 . A A . 6 LYS HB3 1 1 25 6892 1 1 6 LYS HD2 H 5.029 2.916 -4.687 1.00 . A A . 6 LYS HD2 1 1 25 6893 1 1 6 LYS HD3 H 5.217 4.424 -3.799 1.00 . A A . 6 LYS HD3 1 1 25 6894 1 1 6 LYS HE2 H 7.640 4.048 -3.681 1.00 . A A . 6 LYS HE2 1 1 25 6895 1 1 6 LYS HE3 H 7.450 2.527 -4.552 1.00 . A A . 6 LYS HE3 1 1 25 6896 1 1 6 LYS HG2 H 6.452 2.289 -2.287 1.00 . A A . 6 LYS HG2 1 1 25 6897 1 1 6 LYS HG3 H 4.846 1.768 -2.782 1.00 . A A . 6 LYS HG3 1 1 25 6898 1 1 6 LYS HZ1 H 6.485 3.851 -6.407 1.00 . A A . 6 LYS HZ1 1 1 25 6899 1 1 6 LYS HZ2 H 6.921 5.260 -5.578 1.00 . A A . 6 LYS HZ2 1 1 25 6900 1 1 6 LYS HZ3 H 8.116 4.180 -6.100 1.00 . A A . 6 LYS HZ3 1 1 25 6901 1 1 6 LYS N N 2.947 3.129 0.099 1.00 . A A . 6 LYS N 1 1 25 6902 1 1 6 LYS NZ N 7.151 4.255 -5.718 1.00 . A A . 6 LYS NZ 1 1 25 6903 1 1 6 LYS O O 5.258 3.542 1.771 1.00 . A A . 6 LYS O 1 1 25 6904 1 1 7 THR C C 8.661 1.703 1.394 1.00 . A A . 7 THR C 1 1 25 6905 1 1 7 THR CA C 7.260 1.267 1.929 1.00 . A A . 7 THR CA 1 1 25 6906 1 1 7 THR CB C 7.321 -0.248 2.402 1.00 . A A . 7 THR CB 1 1 25 6907 1 1 7 THR CG2 C 7.437 -0.381 3.926 1.00 . A A . 7 THR CG2 1 1 25 6908 1 1 7 THR H H 6.110 0.885 0.173 1.00 . A A . 7 THR H 1 1 25 6909 1 1 7 THR HA H 7.034 1.877 2.786 1.00 . A A . 7 THR HA 1 1 25 6910 1 1 7 THR HB H 8.200 -0.682 1.966 1.00 . A A . 7 THR HB 1 1 25 6911 1 1 7 THR HG1 H 5.372 -0.580 2.276 1.00 . A A . 7 THR HG1 1 1 25 6912 1 1 7 THR HG21 H 8.199 0.292 4.289 1.00 . A A . 7 THR HG21 1 1 25 6913 1 1 7 THR HG22 H 6.490 -0.135 4.381 1.00 . A A . 7 THR HG22 1 1 25 6914 1 1 7 THR HG23 H 7.705 -1.398 4.178 1.00 . A A . 7 THR HG23 1 1 25 6915 1 1 7 THR N N 6.184 1.534 0.907 1.00 . A A . 7 THR N 1 1 25 6916 1 1 7 THR O O 8.944 1.541 0.170 1.00 . A A . 7 THR O 1 1 25 6917 1 1 7 THR OG1 O 6.174 -1.013 1.977 1.00 . A A . 7 THR OG1 1 1 25 6918 1 1 8 LEU C C 11.978 1.632 1.826 1.00 . A A . 8 LEU C 1 1 25 6919 1 1 8 LEU CA C 10.928 2.763 2.125 1.00 . A A . 8 LEU CA 1 1 25 6920 1 1 8 LEU CB C 11.383 3.620 3.344 1.00 . A A . 8 LEU CB 1 1 25 6921 1 1 8 LEU CD1 C 10.377 5.908 3.959 1.00 . A A . 8 LEU CD1 1 1 25 6922 1 1 8 LEU CD2 C 12.805 5.757 3.371 1.00 . A A . 8 LEU CD2 1 1 25 6923 1 1 8 LEU CG C 11.416 5.172 3.107 1.00 . A A . 8 LEU CG 1 1 25 6924 1 1 8 LEU H H 9.166 2.315 3.279 1.00 . A A . 8 LEU H 1 1 25 6925 1 1 8 LEU HA H 10.884 3.403 1.256 1.00 . A A . 8 LEU HA 1 1 25 6926 1 1 8 LEU HB2 H 10.711 3.399 4.165 1.00 . A A . 8 LEU HB2 1 1 25 6927 1 1 8 LEU HB3 H 12.372 3.287 3.629 1.00 . A A . 8 LEU HB3 1 1 25 6928 1 1 8 LEU HD11 H 9.404 5.470 3.797 1.00 . A A . 8 LEU HD11 1 1 25 6929 1 1 8 LEU HD12 H 10.642 5.824 5.002 1.00 . A A . 8 LEU HD12 1 1 25 6930 1 1 8 LEU HD13 H 10.355 6.951 3.676 1.00 . A A . 8 LEU HD13 1 1 25 6931 1 1 8 LEU HD21 H 13.533 5.246 2.758 1.00 . A A . 8 LEU HD21 1 1 25 6932 1 1 8 LEU HD22 H 12.804 6.809 3.129 1.00 . A A . 8 LEU HD22 1 1 25 6933 1 1 8 LEU HD23 H 13.057 5.628 4.413 1.00 . A A . 8 LEU HD23 1 1 25 6934 1 1 8 LEU HG H 11.175 5.369 2.071 1.00 . A A . 8 LEU HG 1 1 25 6935 1 1 8 LEU N N 9.514 2.252 2.360 1.00 . A A . 8 LEU N 1 1 25 6936 1 1 8 LEU O O 12.991 1.923 1.122 1.00 . A A . 8 LEU O 1 1 25 6937 1 1 9 ASP C C 12.520 -1.472 0.742 1.00 . A A . 9 ASP C 1 1 25 6938 1 1 9 ASP CA C 12.553 -0.882 2.189 1.00 . A A . 9 ASP CA 1 1 25 6939 1 1 9 ASP CB C 12.144 -1.964 3.220 1.00 . A A . 9 ASP CB 1 1 25 6940 1 1 9 ASP CG C 13.336 -2.617 3.912 1.00 . A A . 9 ASP CG 1 1 25 6941 1 1 9 ASP H H 10.863 0.263 2.863 1.00 . A A . 9 ASP H 1 1 25 6942 1 1 9 ASP HA H 13.571 -0.587 2.397 1.00 . A A . 9 ASP HA 1 1 25 6943 1 1 9 ASP HB2 H 11.523 -1.509 3.977 1.00 . A A . 9 ASP HB2 1 1 25 6944 1 1 9 ASP HB3 H 11.579 -2.734 2.716 1.00 . A A . 9 ASP HB3 1 1 25 6945 1 1 9 ASP N N 11.697 0.360 2.351 1.00 . A A . 9 ASP N 1 1 25 6946 1 1 9 ASP O O 13.595 -1.942 0.275 1.00 . A A . 9 ASP O 1 1 25 6947 1 1 9 ASP OD1 O 13.838 -3.642 3.397 1.00 . A A . 9 ASP OD1 1 1 25 6948 1 1 9 ASP OD2 O 13.761 -2.111 4.976 1.00 . A A . 9 ASP OD2 1 1 25 6949 1 1 10 GLY C C 9.874 -2.878 -1.411 1.00 . A A . 10 GLY C 1 1 25 6950 1 1 10 GLY CA C 11.041 -1.900 -1.312 1.00 . A A . 10 GLY CA 1 1 25 6951 1 1 10 GLY H H 10.531 -1.005 0.555 1.00 . A A . 10 GLY H 1 1 25 6952 1 1 10 GLY HA2 H 11.936 -2.388 -1.670 1.00 . A A . 10 GLY HA2 1 1 25 6953 1 1 10 GLY HA3 H 10.835 -1.052 -1.947 1.00 . A A . 10 GLY HA3 1 1 25 6954 1 1 10 GLY N N 11.287 -1.411 0.075 1.00 . A A . 10 GLY N 1 1 25 6955 1 1 10 GLY O O 10.080 -3.993 -1.957 1.00 . A A . 10 GLY O 1 1 25 6956 1 1 11 LYS C C 6.155 -2.309 -1.262 1.00 . A A . 11 LYS C 1 1 25 6957 1 1 11 LYS CA C 7.366 -3.201 -0.855 1.00 . A A . 11 LYS CA 1 1 25 6958 1 1 11 LYS CB C 7.119 -3.818 0.549 1.00 . A A . 11 LYS CB 1 1 25 6959 1 1 11 LYS CD C 7.572 -5.667 2.187 1.00 . A A . 11 LYS CD 1 1 25 6960 1 1 11 LYS CE C 8.422 -6.894 2.479 1.00 . A A . 11 LYS CE 1 1 25 6961 1 1 11 LYS CG C 7.740 -5.194 0.751 1.00 . A A . 11 LYS CG 1 1 25 6962 1 1 11 LYS H H 8.642 -1.531 -0.480 1.00 . A A . 11 LYS H 1 1 25 6963 1 1 11 LYS HA H 7.454 -4.000 -1.578 1.00 . A A . 11 LYS HA 1 1 25 6964 1 1 11 LYS HB2 H 7.529 -3.154 1.295 1.00 . A A . 11 LYS HB2 1 1 25 6965 1 1 11 LYS HB3 H 6.054 -3.903 0.707 1.00 . A A . 11 LYS HB3 1 1 25 6966 1 1 11 LYS HD2 H 7.870 -4.872 2.854 1.00 . A A . 11 LYS HD2 1 1 25 6967 1 1 11 LYS HD3 H 6.534 -5.910 2.356 1.00 . A A . 11 LYS HD3 1 1 25 6968 1 1 11 LYS HE2 H 8.315 -7.597 1.665 1.00 . A A . 11 LYS HE2 1 1 25 6969 1 1 11 LYS HE3 H 9.455 -6.589 2.559 1.00 . A A . 11 LYS HE3 1 1 25 6970 1 1 11 LYS HG2 H 7.256 -5.898 0.090 1.00 . A A . 11 LYS HG2 1 1 25 6971 1 1 11 LYS HG3 H 8.793 -5.142 0.517 1.00 . A A . 11 LYS HG3 1 1 25 6972 1 1 11 LYS HZ1 H 8.049 -6.880 4.534 1.00 . A A . 11 LYS HZ1 1 1 25 6973 1 1 11 LYS HZ2 H 7.043 -7.923 3.663 1.00 . A A . 11 LYS HZ2 1 1 25 6974 1 1 11 LYS HZ3 H 8.653 -8.350 3.958 1.00 . A A . 11 LYS HZ3 1 1 25 6975 1 1 11 LYS N N 8.660 -2.430 -0.876 1.00 . A A . 11 LYS N 1 1 25 6976 1 1 11 LYS NZ N 8.013 -7.559 3.748 1.00 . A A . 11 LYS NZ 1 1 25 6977 1 1 11 LYS O O 6.131 -1.085 -0.911 1.00 . A A . 11 LYS O 1 1 25 6978 1 1 12 THR C C 2.682 -3.269 -2.207 1.00 . A A . 12 THR C 1 1 25 6979 1 1 12 THR CA C 3.890 -2.332 -2.491 1.00 . A A . 12 THR CA 1 1 25 6980 1 1 12 THR CB C 3.933 -1.921 -4.015 1.00 . A A . 12 THR CB 1 1 25 6981 1 1 12 THR CG2 C 4.664 -0.594 -4.230 1.00 . A A . 12 THR CG2 1 1 25 6982 1 1 12 THR H H 5.293 -3.915 -2.198 1.00 . A A . 12 THR H 1 1 25 6983 1 1 12 THR HA H 3.745 -1.428 -1.909 1.00 . A A . 12 THR HA 1 1 25 6984 1 1 12 THR HB H 2.913 -1.798 -4.349 1.00 . A A . 12 THR HB 1 1 25 6985 1 1 12 THR HG1 H 5.439 -3.112 -4.493 1.00 . A A . 12 THR HG1 1 1 25 6986 1 1 12 THR HG21 H 5.641 -0.642 -3.771 1.00 . A A . 12 THR HG21 1 1 25 6987 1 1 12 THR HG22 H 4.773 -0.410 -5.289 1.00 . A A . 12 THR HG22 1 1 25 6988 1 1 12 THR HG23 H 4.095 0.207 -3.783 1.00 . A A . 12 THR HG23 1 1 25 6989 1 1 12 THR N N 5.162 -2.962 -1.995 1.00 . A A . 12 THR N 1 1 25 6990 1 1 12 THR O O 2.720 -4.485 -2.582 1.00 . A A . 12 THR O 1 1 25 6991 1 1 12 THR OG1 O 4.548 -2.945 -4.814 1.00 . A A . 12 THR OG1 1 1 25 6992 1 1 13 ILE C C -0.818 -2.318 -0.906 1.00 . A A . 13 ILE C 1 1 25 6993 1 1 13 ILE CA C 0.344 -3.341 -1.058 1.00 . A A . 13 ILE CA 1 1 25 6994 1 1 13 ILE CB C 0.454 -4.245 0.285 1.00 . A A . 13 ILE CB 1 1 25 6995 1 1 13 ILE CD1 C 2.687 -3.114 1.596 1.00 . A A . 13 ILE CD1 1 1 25 6996 1 1 13 ILE CG1 C 1.183 -3.594 1.607 1.00 . A A . 13 ILE CG1 1 1 25 6997 1 1 13 ILE CG2 C 0.966 -5.668 -0.058 1.00 . A A . 13 ILE CG2 1 1 25 6998 1 1 13 ILE H H 1.740 -1.726 -1.239 1.00 . A A . 13 ILE H 1 1 25 6999 1 1 13 ILE HA H 0.069 -4.004 -1.865 1.00 . A A . 13 ILE HA 1 1 25 7000 1 1 13 ILE HB H -0.584 -4.408 0.566 1.00 . A A . 13 ILE HB 1 1 25 7001 1 1 13 ILE HD11 H 3.325 -3.932 1.295 1.00 . A A . 13 ILE HD11 1 1 25 7002 1 1 13 ILE HD12 H 2.799 -2.296 0.898 1.00 . A A . 13 ILE HD12 1 1 25 7003 1 1 13 ILE HD13 H 2.967 -2.785 2.586 1.00 . A A . 13 ILE HD13 1 1 25 7004 1 1 13 ILE HG12 H 0.611 -2.730 1.888 1.00 . A A . 13 ILE HG12 1 1 25 7005 1 1 13 ILE HG13 H 1.093 -4.316 2.409 1.00 . A A . 13 ILE HG13 1 1 25 7006 1 1 13 ILE HG21 H 0.336 -6.102 -0.821 1.00 . A A . 13 ILE HG21 1 1 25 7007 1 1 13 ILE HG22 H 1.981 -5.607 -0.421 1.00 . A A . 13 ILE HG22 1 1 25 7008 1 1 13 ILE HG23 H 0.937 -6.284 0.829 1.00 . A A . 13 ILE HG23 1 1 25 7009 1 1 13 ILE N N 1.633 -2.669 -1.496 1.00 . A A . 13 ILE N 1 1 25 7010 1 1 13 ILE O O -0.583 -1.199 -0.359 1.00 . A A . 13 ILE O 1 1 25 7011 1 1 14 THR C C -4.091 -2.163 -0.008 1.00 . A A . 14 THR C 1 1 25 7012 1 1 14 THR CA C -3.334 -1.954 -1.347 1.00 . A A . 14 THR CA 1 1 25 7013 1 1 14 THR CB C -4.327 -2.273 -2.531 1.00 . A A . 14 THR CB 1 1 25 7014 1 1 14 THR CG2 C -3.908 -1.624 -3.833 1.00 . A A . 14 THR CG2 1 1 25 7015 1 1 14 THR H H -2.101 -3.649 -1.784 1.00 . A A . 14 THR H 1 1 25 7016 1 1 14 THR HA H -3.063 -0.909 -1.417 1.00 . A A . 14 THR HA 1 1 25 7017 1 1 14 THR HB H -5.297 -1.862 -2.264 1.00 . A A . 14 THR HB 1 1 25 7018 1 1 14 THR HG1 H -5.330 -3.880 -3.093 1.00 . A A . 14 THR HG1 1 1 25 7019 1 1 14 THR HG21 H -3.776 -0.564 -3.676 1.00 . A A . 14 THR HG21 1 1 25 7020 1 1 14 THR HG22 H -2.980 -2.060 -4.172 1.00 . A A . 14 THR HG22 1 1 25 7021 1 1 14 THR HG23 H -4.677 -1.786 -4.573 1.00 . A A . 14 THR HG23 1 1 25 7022 1 1 14 THR N N -2.051 -2.751 -1.389 1.00 . A A . 14 THR N 1 1 25 7023 1 1 14 THR O O -4.127 -3.325 0.520 1.00 . A A . 14 THR O 1 1 25 7024 1 1 14 THR OG1 O -4.464 -3.689 -2.725 1.00 . A A . 14 THR OG1 1 1 25 7025 1 1 15 LEU C C -7.034 -0.867 1.285 1.00 . A A . 15 LEU C 1 1 25 7026 1 1 15 LEU CA C -5.539 -0.969 1.721 1.00 . A A . 15 LEU CA 1 1 25 7027 1 1 15 LEU CB C -5.058 0.168 2.678 1.00 . A A . 15 LEU CB 1 1 25 7028 1 1 15 LEU CD1 C -3.438 -0.006 4.660 1.00 . A A . 15 LEU CD1 1 1 25 7029 1 1 15 LEU CD2 C -5.851 0.478 5.101 1.00 . A A . 15 LEU CD2 1 1 25 7030 1 1 15 LEU CG C -4.868 -0.248 4.178 1.00 . A A . 15 LEU CG 1 1 25 7031 1 1 15 LEU H H -4.635 -0.190 -0.030 1.00 . A A . 15 LEU H 1 1 25 7032 1 1 15 LEU HA H -5.410 -1.924 2.220 1.00 . A A . 15 LEU HA 1 1 25 7033 1 1 15 LEU HB2 H -4.118 0.543 2.288 1.00 . A A . 15 LEU HB2 1 1 25 7034 1 1 15 LEU HB3 H -5.780 0.971 2.623 1.00 . A A . 15 LEU HB3 1 1 25 7035 1 1 15 LEU HD11 H -3.193 1.040 4.549 1.00 . A A . 15 LEU HD11 1 1 25 7036 1 1 15 LEU HD12 H -3.355 -0.287 5.700 1.00 . A A . 15 LEU HD12 1 1 25 7037 1 1 15 LEU HD13 H -2.755 -0.601 4.072 1.00 . A A . 15 LEU HD13 1 1 25 7038 1 1 15 LEU HD21 H -5.758 1.545 4.960 1.00 . A A . 15 LEU HD21 1 1 25 7039 1 1 15 LEU HD22 H -6.860 0.170 4.866 1.00 . A A . 15 LEU HD22 1 1 25 7040 1 1 15 LEU HD23 H -5.631 0.230 6.129 1.00 . A A . 15 LEU HD23 1 1 25 7041 1 1 15 LEU HG H -5.060 -1.309 4.270 1.00 . A A . 15 LEU HG 1 1 25 7042 1 1 15 LEU N N -4.716 -1.021 0.491 1.00 . A A . 15 LEU N 1 1 25 7043 1 1 15 LEU O O -7.498 0.210 0.766 1.00 . A A . 15 LEU O 1 1 25 7044 1 1 16 GLU C C -10.023 -2.838 2.208 1.00 . A A . 16 GLU C 1 1 25 7045 1 1 16 GLU CA C -9.167 -2.279 1.038 1.00 . A A . 16 GLU CA 1 1 25 7046 1 1 16 GLU CB C -9.229 -3.220 -0.189 1.00 . A A . 16 GLU CB 1 1 25 7047 1 1 16 GLU CD C -9.812 -3.300 -2.680 1.00 . A A . 16 GLU CD 1 1 25 7048 1 1 16 GLU CG C -9.185 -2.499 -1.542 1.00 . A A . 16 GLU CG 1 1 25 7049 1 1 16 GLU H H -7.260 -2.840 1.788 1.00 . A A . 16 GLU H 1 1 25 7050 1 1 16 GLU HA H -9.567 -1.315 0.755 1.00 . A A . 16 GLU HA 1 1 25 7051 1 1 16 GLU HB2 H -8.387 -3.897 -0.148 1.00 . A A . 16 GLU HB2 1 1 25 7052 1 1 16 GLU HB3 H -10.142 -3.794 -0.142 1.00 . A A . 16 GLU HB3 1 1 25 7053 1 1 16 GLU HG2 H -9.716 -1.564 -1.453 1.00 . A A . 16 GLU HG2 1 1 25 7054 1 1 16 GLU HG3 H -8.151 -2.296 -1.795 1.00 . A A . 16 GLU HG3 1 1 25 7055 1 1 16 GLU N N -7.741 -2.060 1.432 1.00 . A A . 16 GLU N 1 1 25 7056 1 1 16 GLU O O -9.511 -3.673 3.019 1.00 . A A . 16 GLU O 1 1 25 7057 1 1 16 GLU OE1 O -11.034 -3.149 -2.917 1.00 . A A . 16 GLU OE1 1 1 25 7058 1 1 16 GLU OE2 O -9.079 -4.066 -3.348 1.00 . A A . 16 GLU OE2 1 1 25 7059 1 1 17 VAL C C -13.787 -2.856 2.665 1.00 . A A . 17 VAL C 1 1 25 7060 1 1 17 VAL CA C -12.373 -2.728 3.294 1.00 . A A . 17 VAL CA 1 1 25 7061 1 1 17 VAL CB C -12.414 -1.799 4.613 1.00 . A A . 17 VAL CB 1 1 25 7062 1 1 17 VAL CG1 C -11.306 -2.200 5.583 1.00 . A A . 17 VAL CG1 1 1 25 7063 1 1 17 VAL CG2 C -12.353 -0.253 4.383 1.00 . A A . 17 VAL CG2 1 1 25 7064 1 1 17 VAL H H -11.604 -1.704 1.571 1.00 . A A . 17 VAL H 1 1 25 7065 1 1 17 VAL HA H -12.102 -3.725 3.622 1.00 . A A . 17 VAL HA 1 1 25 7066 1 1 17 VAL HB H -13.350 -2.014 5.110 1.00 . A A . 17 VAL HB 1 1 25 7067 1 1 17 VAL HG11 H -11.329 -3.269 5.733 1.00 . A A . 17 VAL HG11 1 1 25 7068 1 1 17 VAL HG12 H -10.348 -1.914 5.174 1.00 . A A . 17 VAL HG12 1 1 25 7069 1 1 17 VAL HG13 H -11.458 -1.699 6.528 1.00 . A A . 17 VAL HG13 1 1 25 7070 1 1 17 VAL HG21 H -11.484 -0.012 3.787 1.00 . A A . 17 VAL HG21 1 1 25 7071 1 1 17 VAL HG22 H -13.243 0.070 3.866 1.00 . A A . 17 VAL HG22 1 1 25 7072 1 1 17 VAL HG23 H -12.288 0.250 5.336 1.00 . A A . 17 VAL HG23 1 1 25 7073 1 1 17 VAL N N -11.328 -2.349 2.259 1.00 . A A . 17 VAL N 1 1 25 7074 1 1 17 VAL O O -14.181 -1.972 1.864 1.00 . A A . 17 VAL O 1 1 25 7075 1 1 17 VAL OXT O -14.480 -3.844 2.986 1.00 . A A . 17 VAL OXT 1 1 26 7076 1 1 1 MET C C -11.407 1.348 -1.255 1.00 . A A . 1 MET C 1 1 26 7077 1 1 1 MET CA C -12.798 2.001 -1.011 1.00 . A A . 1 MET CA 1 1 26 7078 1 1 1 MET CB C -12.884 2.595 0.422 1.00 . A A . 1 MET CB 1 1 26 7079 1 1 1 MET CE C -12.591 5.044 3.140 1.00 . A A . 1 MET CE 1 1 26 7080 1 1 1 MET CG C -12.657 4.110 0.520 1.00 . A A . 1 MET CG 1 1 26 7081 1 1 1 MET H1 H -13.891 0.626 -2.146 1.00 . A A . 1 MET H1 1 1 26 7082 1 1 1 MET H2 H -13.833 0.258 -0.495 1.00 . A A . 1 MET H2 1 1 26 7083 1 1 1 MET H3 H -14.830 1.507 -1.049 1.00 . A A . 1 MET H3 1 1 26 7084 1 1 1 MET HA H -12.933 2.795 -1.730 1.00 . A A . 1 MET HA 1 1 26 7085 1 1 1 MET HB2 H -13.862 2.381 0.825 1.00 . A A . 1 MET HB2 1 1 26 7086 1 1 1 MET HB3 H -12.141 2.108 1.042 1.00 . A A . 1 MET HB3 1 1 26 7087 1 1 1 MET HE1 H -11.955 4.170 3.173 1.00 . A A . 1 MET HE1 1 1 26 7088 1 1 1 MET HE2 H -11.983 5.928 3.020 1.00 . A A . 1 MET HE2 1 1 26 7089 1 1 1 MET HE3 H -13.156 5.114 4.057 1.00 . A A . 1 MET HE3 1 1 26 7090 1 1 1 MET HG2 H -11.624 4.285 0.794 1.00 . A A . 1 MET HG2 1 1 26 7091 1 1 1 MET HG3 H -12.853 4.559 -0.444 1.00 . A A . 1 MET HG3 1 1 26 7092 1 1 1 MET N N -13.917 1.030 -1.188 1.00 . A A . 1 MET N 1 1 26 7093 1 1 1 MET O O -11.190 0.155 -0.864 1.00 . A A . 1 MET O 1 1 26 7094 1 1 1 MET SD S -13.718 4.898 1.751 1.00 . A A . 1 MET SD 1 1 26 7095 1 1 2 GLN C C -8.112 2.920 -1.688 1.00 . A A . 2 GLN C 1 1 26 7096 1 1 2 GLN CA C -9.074 1.823 -2.212 1.00 . A A . 2 GLN CA 1 1 26 7097 1 1 2 GLN CB C -8.874 1.562 -3.729 1.00 . A A . 2 GLN CB 1 1 26 7098 1 1 2 GLN CD C -9.171 -0.071 -5.676 1.00 . A A . 2 GLN CD 1 1 26 7099 1 1 2 GLN CG C -9.148 0.121 -4.157 1.00 . A A . 2 GLN CG 1 1 26 7100 1 1 2 GLN H H -10.773 3.090 -2.124 1.00 . A A . 2 GLN H 1 1 26 7101 1 1 2 GLN HA H -8.851 0.911 -1.671 1.00 . A A . 2 GLN HA 1 1 26 7102 1 1 2 GLN HB2 H -9.533 2.211 -4.284 1.00 . A A . 2 GLN HB2 1 1 26 7103 1 1 2 GLN HB3 H -7.848 1.798 -3.985 1.00 . A A . 2 GLN HB3 1 1 26 7104 1 1 2 GLN HE21 H -7.210 -0.510 -5.724 1.00 . A A . 2 GLN HE21 1 1 26 7105 1 1 2 GLN HE22 H -8.026 -0.525 -7.247 1.00 . A A . 2 GLN HE22 1 1 26 7106 1 1 2 GLN HG2 H -8.375 -0.514 -3.746 1.00 . A A . 2 GLN HG2 1 1 26 7107 1 1 2 GLN HG3 H -10.106 -0.182 -3.758 1.00 . A A . 2 GLN HG3 1 1 26 7108 1 1 2 GLN N N -10.485 2.181 -1.887 1.00 . A A . 2 GLN N 1 1 26 7109 1 1 2 GLN NE2 N -8.018 -0.403 -6.275 1.00 . A A . 2 GLN NE2 1 1 26 7110 1 1 2 GLN O O -8.337 4.150 -1.948 1.00 . A A . 2 GLN O 1 1 26 7111 1 1 2 GLN OE1 O -10.221 0.067 -6.311 1.00 . A A . 2 GLN OE1 1 1 26 7112 1 1 3 ILE C C -4.647 2.479 -0.286 1.00 . A A . 3 ILE C 1 1 26 7113 1 1 3 ILE CA C -5.986 3.258 -0.262 1.00 . A A . 3 ILE CA 1 1 26 7114 1 1 3 ILE CB C -6.336 3.835 1.212 1.00 . A A . 3 ILE CB 1 1 26 7115 1 1 3 ILE CD1 C -6.378 2.485 3.467 1.00 . A A . 3 ILE CD1 1 1 26 7116 1 1 3 ILE CG1 C -7.100 2.818 2.172 1.00 . A A . 3 ILE CG1 1 1 26 7117 1 1 3 ILE CG2 C -7.131 5.145 1.068 1.00 . A A . 3 ILE CG2 1 1 26 7118 1 1 3 ILE H H -7.017 1.460 -0.772 1.00 . A A . 3 ILE H 1 1 26 7119 1 1 3 ILE HA H -5.842 4.114 -0.915 1.00 . A A . 3 ILE HA 1 1 26 7120 1 1 3 ILE HB H -5.390 4.098 1.666 1.00 . A A . 3 ILE HB 1 1 26 7121 1 1 3 ILE HD11 H -5.848 3.359 3.816 1.00 . A A . 3 ILE HD11 1 1 26 7122 1 1 3 ILE HD12 H -7.103 2.183 4.208 1.00 . A A . 3 ILE HD12 1 1 26 7123 1 1 3 ILE HD13 H -5.679 1.682 3.294 1.00 . A A . 3 ILE HD13 1 1 26 7124 1 1 3 ILE HG21 H -6.595 5.822 0.419 1.00 . A A . 3 ILE HG21 1 1 26 7125 1 1 3 ILE HG22 H -8.102 4.932 0.645 1.00 . A A . 3 ILE HG22 1 1 26 7126 1 1 3 ILE HG23 H -7.253 5.600 2.039 1.00 . A A . 3 ILE HG23 1 1 26 7127 1 1 3 ILE N N -7.064 2.433 -0.918 1.00 . A A . 3 ILE N 1 1 26 7128 1 1 3 ILE O O -4.590 1.317 0.222 1.00 . A A . 3 ILE O 1 1 26 7129 1 1 4 PHE C C -1.184 3.251 -0.218 1.00 . A A . 4 PHE C 1 1 26 7130 1 1 4 PHE CA C -2.236 2.609 -1.158 1.00 . A A . 4 PHE CA 1 1 26 7131 1 1 4 PHE CB C -1.842 2.820 -2.659 1.00 . A A . 4 PHE CB 1 1 26 7132 1 1 4 PHE CD1 C -3.398 1.384 -4.327 1.00 . A A . 4 PHE CD1 1 1 26 7133 1 1 4 PHE CD2 C -0.887 0.687 -3.938 1.00 . A A . 4 PHE CD2 1 1 26 7134 1 1 4 PHE CE1 C -3.566 0.233 -5.293 1.00 . A A . 4 PHE CE1 1 1 26 7135 1 1 4 PHE CE2 C -1.059 -0.460 -4.912 1.00 . A A . 4 PHE CE2 1 1 26 7136 1 1 4 PHE CG C -2.048 1.632 -3.619 1.00 . A A . 4 PHE CG 1 1 26 7137 1 1 4 PHE CZ C -2.398 -0.689 -5.588 1.00 . A A . 4 PHE CZ 1 1 26 7138 1 1 4 PHE H H -3.806 4.026 -1.326 1.00 . A A . 4 PHE H 1 1 26 7139 1 1 4 PHE HA H -2.266 1.548 -0.960 1.00 . A A . 4 PHE HA 1 1 26 7140 1 1 4 PHE HB2 H -2.420 3.642 -3.050 1.00 . A A . 4 PHE HB2 1 1 26 7141 1 1 4 PHE HB3 H -0.796 3.090 -2.699 1.00 . A A . 4 PHE HB3 1 1 26 7142 1 1 4 PHE HD1 H -4.237 2.028 -4.115 1.00 . A A . 4 PHE HD1 1 1 26 7143 1 1 4 PHE HD2 H 0.065 0.839 -3.454 1.00 . A A . 4 PHE HD2 1 1 26 7144 1 1 4 PHE HE1 H -4.520 0.065 -5.768 1.00 . A A . 4 PHE HE1 1 1 26 7145 1 1 4 PHE HE2 H -0.229 -1.116 -5.123 1.00 . A A . 4 PHE HE2 1 1 26 7146 1 1 4 PHE HZ H -2.518 -1.506 -6.282 1.00 . A A . 4 PHE HZ 1 1 26 7147 1 1 4 PHE N N -3.614 3.141 -0.940 1.00 . A A . 4 PHE N 1 1 26 7148 1 1 4 PHE O O -1.274 4.481 0.086 1.00 . A A . 4 PHE O 1 1 26 7149 1 1 5 VAL C C 2.305 2.183 0.535 1.00 . A A . 5 VAL C 1 1 26 7150 1 1 5 VAL CA C 0.966 2.722 1.123 1.00 . A A . 5 VAL CA 1 1 26 7151 1 1 5 VAL CB C 0.791 2.301 2.674 1.00 . A A . 5 VAL CB 1 1 26 7152 1 1 5 VAL CG1 C -0.087 3.311 3.404 1.00 . A A . 5 VAL CG1 1 1 26 7153 1 1 5 VAL CG2 C 0.246 0.863 2.949 1.00 . A A . 5 VAL CG2 1 1 26 7154 1 1 5 VAL H H -0.234 1.442 -0.102 1.00 . A A . 5 VAL H 1 1 26 7155 1 1 5 VAL HA H 1.038 3.806 1.094 1.00 . A A . 5 VAL HA 1 1 26 7156 1 1 5 VAL HB H 1.774 2.364 3.125 1.00 . A A . 5 VAL HB 1 1 26 7157 1 1 5 VAL HG11 H 0.211 4.312 3.128 1.00 . A A . 5 VAL HG11 1 1 26 7158 1 1 5 VAL HG12 H -1.120 3.154 3.131 1.00 . A A . 5 VAL HG12 1 1 26 7159 1 1 5 VAL HG13 H 0.027 3.183 4.470 1.00 . A A . 5 VAL HG13 1 1 26 7160 1 1 5 VAL HG21 H 0.783 0.151 2.338 1.00 . A A . 5 VAL HG21 1 1 26 7161 1 1 5 VAL HG22 H 0.384 0.619 3.993 1.00 . A A . 5 VAL HG22 1 1 26 7162 1 1 5 VAL HG23 H -0.805 0.824 2.707 1.00 . A A . 5 VAL HG23 1 1 26 7163 1 1 5 VAL N N -0.191 2.373 0.214 1.00 . A A . 5 VAL N 1 1 26 7164 1 1 5 VAL O O 2.367 0.974 0.154 1.00 . A A . 5 VAL O 1 1 26 7165 1 1 6 LYS C C 5.814 3.043 0.997 1.00 . A A . 6 LYS C 1 1 26 7166 1 1 6 LYS CA C 4.704 2.860 -0.081 1.00 . A A . 6 LYS CA 1 1 26 7167 1 1 6 LYS CB C 4.959 3.767 -1.313 1.00 . A A . 6 LYS CB 1 1 26 7168 1 1 6 LYS CD C 5.314 3.684 -3.853 1.00 . A A . 6 LYS CD 1 1 26 7169 1 1 6 LYS CE C 6.436 3.507 -4.871 1.00 . A A . 6 LYS CE 1 1 26 7170 1 1 6 LYS CG C 5.669 3.067 -2.492 1.00 . A A . 6 LYS CG 1 1 26 7171 1 1 6 LYS H H 3.148 4.032 0.777 1.00 . A A . 6 LYS H 1 1 26 7172 1 1 6 LYS HA H 4.721 1.827 -0.401 1.00 . A A . 6 LYS HA 1 1 26 7173 1 1 6 LYS HB2 H 4.007 4.144 -1.659 1.00 . A A . 6 LYS HB2 1 1 26 7174 1 1 6 LYS HB3 H 5.570 4.603 -1.002 1.00 . A A . 6 LYS HB3 1 1 26 7175 1 1 6 LYS HD2 H 4.425 3.198 -4.231 1.00 . A A . 6 LYS HD2 1 1 26 7176 1 1 6 LYS HD3 H 5.121 4.741 -3.727 1.00 . A A . 6 LYS HD3 1 1 26 7177 1 1 6 LYS HE2 H 7.257 4.154 -4.598 1.00 . A A . 6 LYS HE2 1 1 26 7178 1 1 6 LYS HE3 H 6.768 2.479 -4.846 1.00 . A A . 6 LYS HE3 1 1 26 7179 1 1 6 LYS HG2 H 6.736 3.141 -2.336 1.00 . A A . 6 LYS HG2 1 1 26 7180 1 1 6 LYS HG3 H 5.381 2.024 -2.496 1.00 . A A . 6 LYS HG3 1 1 26 7181 1 1 6 LYS HZ1 H 5.540 4.776 -6.266 1.00 . A A . 6 LYS HZ1 1 1 26 7182 1 1 6 LYS HZ2 H 6.813 3.858 -6.895 1.00 . A A . 6 LYS HZ2 1 1 26 7183 1 1 6 LYS HZ3 H 5.314 3.133 -6.593 1.00 . A A . 6 LYS HZ3 1 1 26 7184 1 1 6 LYS N N 3.333 3.120 0.461 1.00 . A A . 6 LYS N 1 1 26 7185 1 1 6 LYS NZ N 5.995 3.842 -6.253 1.00 . A A . 6 LYS NZ 1 1 26 7186 1 1 6 LYS O O 5.709 3.961 1.864 1.00 . A A . 6 LYS O 1 1 26 7187 1 1 7 THR C C 9.398 2.200 0.940 1.00 . A A . 7 THR C 1 1 26 7188 1 1 7 THR CA C 8.087 2.073 1.772 1.00 . A A . 7 THR CA 1 1 26 7189 1 1 7 THR CB C 8.156 0.760 2.636 1.00 . A A . 7 THR CB 1 1 26 7190 1 1 7 THR CG2 C 7.234 0.814 3.858 1.00 . A A . 7 THR CG2 1 1 26 7191 1 1 7 THR H H 6.825 1.477 0.156 1.00 . A A . 7 THR H 1 1 26 7192 1 1 7 THR HA H 8.036 2.915 2.449 1.00 . A A . 7 THR HA 1 1 26 7193 1 1 7 THR HB H 9.171 0.655 2.990 1.00 . A A . 7 THR HB 1 1 26 7194 1 1 7 THR HG1 H 8.596 -0.633 1.313 1.00 . A A . 7 THR HG1 1 1 26 7195 1 1 7 THR HG21 H 6.323 1.337 3.602 1.00 . A A . 7 THR HG21 1 1 26 7196 1 1 7 THR HG22 H 6.995 -0.192 4.173 1.00 . A A . 7 THR HG22 1 1 26 7197 1 1 7 THR HG23 H 7.732 1.334 4.663 1.00 . A A . 7 THR HG23 1 1 26 7198 1 1 7 THR N N 6.867 2.137 0.884 1.00 . A A . 7 THR N 1 1 26 7199 1 1 7 THR O O 9.452 1.694 -0.223 1.00 . A A . 7 THR O 1 1 26 7200 1 1 7 THR OG1 O 7.837 -0.391 1.847 1.00 . A A . 7 THR OG1 1 1 26 7201 1 1 8 LEU C C 12.702 1.853 0.778 1.00 . A A . 8 LEU C 1 1 26 7202 1 1 8 LEU CA C 11.826 3.151 0.990 1.00 . A A . 8 LEU CA 1 1 26 7203 1 1 8 LEU CB C 12.571 4.190 1.876 1.00 . A A . 8 LEU CB 1 1 26 7204 1 1 8 LEU CD1 C 11.656 6.454 2.661 1.00 . A A . 8 LEU CD1 1 1 26 7205 1 1 8 LEU CD2 C 13.573 6.407 1.056 1.00 . A A . 8 LEU CD2 1 1 26 7206 1 1 8 LEU CG C 12.299 5.689 1.506 1.00 . A A . 8 LEU CG 1 1 26 7207 1 1 8 LEU H H 10.271 3.225 2.483 1.00 . A A . 8 LEU H 1 1 26 7208 1 1 8 LEU HA H 11.667 3.596 0.017 1.00 . A A . 8 LEU HA 1 1 26 7209 1 1 8 LEU HB2 H 12.277 4.013 2.905 1.00 . A A . 8 LEU HB2 1 1 26 7210 1 1 8 LEU HB3 H 13.631 3.992 1.793 1.00 . A A . 8 LEU HB3 1 1 26 7211 1 1 8 LEU HD11 H 10.788 5.914 3.011 1.00 . A A . 8 LEU HD11 1 1 26 7212 1 1 8 LEU HD12 H 12.368 6.555 3.466 1.00 . A A . 8 LEU HD12 1 1 26 7213 1 1 8 LEU HD13 H 11.356 7.434 2.320 1.00 . A A . 8 LEU HD13 1 1 26 7214 1 1 8 LEU HD21 H 14.330 6.308 1.820 1.00 . A A . 8 LEU HD21 1 1 26 7215 1 1 8 LEU HD22 H 13.929 5.965 0.137 1.00 . A A . 8 LEU HD22 1 1 26 7216 1 1 8 LEU HD23 H 13.359 7.452 0.893 1.00 . A A . 8 LEU HD23 1 1 26 7217 1 1 8 LEU HG H 11.601 5.723 0.679 1.00 . A A . 8 LEU HG 1 1 26 7218 1 1 8 LEU N N 10.445 2.886 1.574 1.00 . A A . 8 LEU N 1 1 26 7219 1 1 8 LEU O O 13.664 1.893 -0.053 1.00 . A A . 8 LEU O 1 1 26 7220 1 1 9 ASP C C 12.693 -1.421 0.138 1.00 . A A . 9 ASP C 1 1 26 7221 1 1 9 ASP CA C 12.985 -0.645 1.461 1.00 . A A . 9 ASP CA 1 1 26 7222 1 1 9 ASP CB C 12.582 -1.498 2.690 1.00 . A A . 9 ASP CB 1 1 26 7223 1 1 9 ASP CG C 13.531 -1.334 3.872 1.00 . A A . 9 ASP CG 1 1 26 7224 1 1 9 ASP H H 11.534 0.806 2.095 1.00 . A A . 9 ASP H 1 1 26 7225 1 1 9 ASP HA H 14.051 -0.470 1.508 1.00 . A A . 9 ASP HA 1 1 26 7226 1 1 9 ASP HB2 H 11.592 -1.207 3.010 1.00 . A A . 9 ASP HB2 1 1 26 7227 1 1 9 ASP HB3 H 12.568 -2.540 2.405 1.00 . A A . 9 ASP HB3 1 1 26 7228 1 1 9 ASP N N 12.319 0.715 1.510 1.00 . A A . 9 ASP N 1 1 26 7229 1 1 9 ASP O O 13.642 -2.075 -0.375 1.00 . A A . 9 ASP O 1 1 26 7230 1 1 9 ASP OD1 O 13.287 -0.442 4.716 1.00 . A A . 9 ASP OD1 1 1 26 7231 1 1 9 ASP OD2 O 14.511 -2.109 3.963 1.00 . A A . 9 ASP OD2 1 1 26 7232 1 1 10 GLY C C 9.702 -2.849 -1.460 1.00 . A A . 10 GLY C 1 1 26 7233 1 1 10 GLY CA C 10.921 -1.946 -1.642 1.00 . A A . 10 GLY CA 1 1 26 7234 1 1 10 GLY H H 10.753 -0.749 0.116 1.00 . A A . 10 GLY H 1 1 26 7235 1 1 10 GLY HA2 H 11.729 -2.535 -2.051 1.00 . A A . 10 GLY HA2 1 1 26 7236 1 1 10 GLY HA3 H 10.668 -1.171 -2.349 1.00 . A A . 10 GLY HA3 1 1 26 7237 1 1 10 GLY N N 11.393 -1.306 -0.382 1.00 . A A . 10 GLY N 1 1 26 7238 1 1 10 GLY O O 9.770 -4.026 -1.899 1.00 . A A . 10 GLY O 1 1 26 7239 1 1 11 LYS C C 6.075 -2.008 -0.835 1.00 . A A . 11 LYS C 1 1 26 7240 1 1 11 LYS CA C 7.281 -2.947 -0.545 1.00 . A A . 11 LYS CA 1 1 26 7241 1 1 11 LYS CB C 7.213 -3.464 0.923 1.00 . A A . 11 LYS CB 1 1 26 7242 1 1 11 LYS CD C 8.709 -5.247 2.088 1.00 . A A . 11 LYS CD 1 1 26 7243 1 1 11 LYS CE C 8.278 -5.987 3.365 1.00 . A A . 11 LYS CE 1 1 26 7244 1 1 11 LYS CG C 7.534 -4.970 1.105 1.00 . A A . 11 LYS CG 1 1 26 7245 1 1 11 LYS H H 8.678 -1.329 -0.537 1.00 . A A . 11 LYS H 1 1 26 7246 1 1 11 LYS HA H 7.213 -3.793 -1.215 1.00 . A A . 11 LYS HA 1 1 26 7247 1 1 11 LYS HB2 H 7.905 -2.885 1.518 1.00 . A A . 11 LYS HB2 1 1 26 7248 1 1 11 LYS HB3 H 6.214 -3.289 1.298 1.00 . A A . 11 LYS HB3 1 1 26 7249 1 1 11 LYS HD2 H 9.440 -5.856 1.581 1.00 . A A . 11 LYS HD2 1 1 26 7250 1 1 11 LYS HD3 H 9.170 -4.310 2.372 1.00 . A A . 11 LYS HD3 1 1 26 7251 1 1 11 LYS HE2 H 8.952 -5.718 4.164 1.00 . A A . 11 LYS HE2 1 1 26 7252 1 1 11 LYS HE3 H 7.273 -5.679 3.625 1.00 . A A . 11 LYS HE3 1 1 26 7253 1 1 11 LYS HG2 H 6.644 -5.459 1.470 1.00 . A A . 11 LYS HG2 1 1 26 7254 1 1 11 LYS HG3 H 7.790 -5.391 0.142 1.00 . A A . 11 LYS HG3 1 1 26 7255 1 1 11 LYS HZ1 H 7.676 -7.745 2.409 1.00 . A A . 11 LYS HZ1 1 1 26 7256 1 1 11 LYS HZ2 H 9.270 -7.784 2.974 1.00 . A A . 11 LYS HZ2 1 1 26 7257 1 1 11 LYS HZ3 H 7.984 -7.935 4.062 1.00 . A A . 11 LYS HZ3 1 1 26 7258 1 1 11 LYS N N 8.598 -2.267 -0.822 1.00 . A A . 11 LYS N 1 1 26 7259 1 1 11 LYS NZ N 8.303 -7.466 3.190 1.00 . A A . 11 LYS NZ 1 1 26 7260 1 1 11 LYS O O 6.149 -0.774 -0.535 1.00 . A A . 11 LYS O 1 1 26 7261 1 1 12 THR C C 2.474 -2.905 -1.437 1.00 . A A . 12 THR C 1 1 26 7262 1 1 12 THR CA C 3.670 -1.977 -1.789 1.00 . A A . 12 THR CA 1 1 26 7263 1 1 12 THR CB C 3.588 -1.531 -3.301 1.00 . A A . 12 THR CB 1 1 26 7264 1 1 12 THR CG2 C 4.320 -0.210 -3.548 1.00 . A A . 12 THR CG2 1 1 26 7265 1 1 12 THR H H 5.041 -3.604 -1.594 1.00 . A A . 12 THR H 1 1 26 7266 1 1 12 THR HA H 3.585 -1.085 -1.177 1.00 . A A . 12 THR HA 1 1 26 7267 1 1 12 THR HB H 2.545 -1.386 -3.543 1.00 . A A . 12 THR HB 1 1 26 7268 1 1 12 THR HG1 H 5.028 -2.730 -3.933 1.00 . A A . 12 THR HG1 1 1 26 7269 1 1 12 THR HG21 H 5.277 -0.229 -3.050 1.00 . A A . 12 THR HG21 1 1 26 7270 1 1 12 THR HG22 H 4.468 -0.073 -4.609 1.00 . A A . 12 THR HG22 1 1 26 7271 1 1 12 THR HG23 H 3.728 0.607 -3.159 1.00 . A A . 12 THR HG23 1 1 26 7272 1 1 12 THR N N 4.974 -2.639 -1.416 1.00 . A A . 12 THR N 1 1 26 7273 1 1 12 THR O O 2.495 -4.126 -1.799 1.00 . A A . 12 THR O 1 1 26 7274 1 1 12 THR OG1 O 4.117 -2.545 -4.171 1.00 . A A . 12 THR OG1 1 1 26 7275 1 1 13 ILE C C -1.019 -1.990 -0.128 1.00 . A A . 13 ILE C 1 1 26 7276 1 1 13 ILE CA C 0.185 -2.976 -0.202 1.00 . A A . 13 ILE CA 1 1 26 7277 1 1 13 ILE CB C 0.320 -3.786 1.193 1.00 . A A . 13 ILE CB 1 1 26 7278 1 1 13 ILE CD1 C 0.278 -2.889 3.672 1.00 . A A . 13 ILE CD1 1 1 26 7279 1 1 13 ILE CG1 C 1.074 -3.011 2.373 1.00 . A A . 13 ILE CG1 1 1 26 7280 1 1 13 ILE CG2 C 0.976 -5.157 0.932 1.00 . A A . 13 ILE CG2 1 1 26 7281 1 1 13 ILE H H 1.568 -1.347 -0.458 1.00 . A A . 13 ILE H 1 1 26 7282 1 1 13 ILE HA H -0.068 -3.703 -0.966 1.00 . A A . 13 ILE HA 1 1 26 7283 1 1 13 ILE HB H -0.693 -3.996 1.514 1.00 . A A . 13 ILE HB 1 1 26 7284 1 1 13 ILE HD11 H -0.064 -3.870 3.970 1.00 . A A . 13 ILE HD11 1 1 26 7285 1 1 13 ILE HD12 H 0.910 -2.477 4.444 1.00 . A A . 13 ILE HD12 1 1 26 7286 1 1 13 ILE HD13 H -0.571 -2.243 3.516 1.00 . A A . 13 ILE HD13 1 1 26 7287 1 1 13 ILE HG12 H 2.003 -3.509 2.609 1.00 . A A . 13 ILE HG12 1 1 26 7288 1 1 13 ILE HG13 H 1.295 -2.008 2.035 1.00 . A A . 13 ILE HG13 1 1 26 7289 1 1 13 ILE HG21 H 1.950 -5.013 0.489 1.00 . A A . 13 ILE HG21 1 1 26 7290 1 1 13 ILE HG22 H 1.080 -5.685 1.871 1.00 . A A . 13 ILE HG22 1 1 26 7291 1 1 13 ILE HG23 H 0.356 -5.733 0.261 1.00 . A A . 13 ILE HG23 1 1 26 7292 1 1 13 ILE N N 1.456 -2.294 -0.696 1.00 . A A . 13 ILE N 1 1 26 7293 1 1 13 ILE O O -0.829 -0.826 0.327 1.00 . A A . 13 ILE O 1 1 26 7294 1 1 14 THR C C -4.620 -2.510 0.326 1.00 . A A . 14 THR C 1 1 26 7295 1 1 14 THR CA C -3.551 -1.785 -0.567 1.00 . A A . 14 THR CA 1 1 26 7296 1 1 14 THR CB C -4.093 -1.420 -2.047 1.00 . A A . 14 THR CB 1 1 26 7297 1 1 14 THR CG2 C -4.275 -2.605 -3.045 1.00 . A A . 14 THR CG2 1 1 26 7298 1 1 14 THR H H -2.243 -3.448 -0.874 1.00 . A A . 14 THR H 1 1 26 7299 1 1 14 THR HA H -3.348 -0.838 -0.075 1.00 . A A . 14 THR HA 1 1 26 7300 1 1 14 THR HB H -3.366 -0.746 -2.483 1.00 . A A . 14 THR HB 1 1 26 7301 1 1 14 THR HG1 H -5.984 -1.205 -1.501 1.00 . A A . 14 THR HG1 1 1 26 7302 1 1 14 THR HG21 H -3.854 -3.504 -2.620 1.00 . A A . 14 THR HG21 1 1 26 7303 1 1 14 THR HG22 H -5.326 -2.753 -3.237 1.00 . A A . 14 THR HG22 1 1 26 7304 1 1 14 THR HG23 H -3.766 -2.369 -3.969 1.00 . A A . 14 THR HG23 1 1 26 7305 1 1 14 THR N N -2.232 -2.516 -0.560 1.00 . A A . 14 THR N 1 1 26 7306 1 1 14 THR O O -4.637 -3.775 0.376 1.00 . A A . 14 THR O 1 1 26 7307 1 1 14 THR OG1 O -5.334 -0.691 -1.985 1.00 . A A . 14 THR OG1 1 1 26 7308 1 1 15 LEU C C -7.977 -1.682 1.237 1.00 . A A . 15 LEU C 1 1 26 7309 1 1 15 LEU CA C -6.609 -2.058 1.872 1.00 . A A . 15 LEU CA 1 1 26 7310 1 1 15 LEU CB C -6.418 -1.442 3.283 1.00 . A A . 15 LEU CB 1 1 26 7311 1 1 15 LEU CD1 C -5.548 -2.644 5.376 1.00 . A A . 15 LEU CD1 1 1 26 7312 1 1 15 LEU CD2 C -7.916 -1.845 5.328 1.00 . A A . 15 LEU CD2 1 1 26 7313 1 1 15 LEU CG C -6.762 -2.391 4.484 1.00 . A A . 15 LEU CG 1 1 26 7314 1 1 15 LEU H H -5.373 -0.684 0.829 1.00 . A A . 15 LEU H 1 1 26 7315 1 1 15 LEU HA H -6.567 -3.136 1.957 1.00 . A A . 15 LEU HA 1 1 26 7316 1 1 15 LEU HB2 H -5.381 -1.127 3.360 1.00 . A A . 15 LEU HB2 1 1 26 7317 1 1 15 LEU HB3 H -7.037 -0.558 3.341 1.00 . A A . 15 LEU HB3 1 1 26 7318 1 1 15 LEU HD11 H -4.757 -3.089 4.791 1.00 . A A . 15 LEU HD11 1 1 26 7319 1 1 15 LEU HD12 H -5.205 -1.708 5.792 1.00 . A A . 15 LEU HD12 1 1 26 7320 1 1 15 LEU HD13 H -5.822 -3.315 6.177 1.00 . A A . 15 LEU HD13 1 1 26 7321 1 1 15 LEU HD21 H -8.733 -1.564 4.681 1.00 . A A . 15 LEU HD21 1 1 26 7322 1 1 15 LEU HD22 H -8.248 -2.605 6.018 1.00 . A A . 15 LEU HD22 1 1 26 7323 1 1 15 LEU HD23 H -7.580 -0.979 5.880 1.00 . A A . 15 LEU HD23 1 1 26 7324 1 1 15 LEU HG H -7.074 -3.350 4.092 1.00 . A A . 15 LEU HG 1 1 26 7325 1 1 15 LEU N N -5.491 -1.648 0.979 1.00 . A A . 15 LEU N 1 1 26 7326 1 1 15 LEU O O -8.153 -0.515 0.751 1.00 . A A . 15 LEU O 1 1 26 7327 1 1 16 GLU C C -11.383 -3.089 1.657 1.00 . A A . 16 GLU C 1 1 26 7328 1 1 16 GLU CA C -10.294 -2.636 0.647 1.00 . A A . 16 GLU CA 1 1 26 7329 1 1 16 GLU CB C -10.374 -3.470 -0.657 1.00 . A A . 16 GLU CB 1 1 26 7330 1 1 16 GLU CD C -10.393 -3.387 -3.216 1.00 . A A . 16 GLU CD 1 1 26 7331 1 1 16 GLU CG C -9.953 -2.708 -1.923 1.00 . A A . 16 GLU CG 1 1 26 7332 1 1 16 GLU H H -8.644 -3.582 1.609 1.00 . A A . 16 GLU H 1 1 26 7333 1 1 16 GLU HA H -10.475 -1.598 0.405 1.00 . A A . 16 GLU HA 1 1 26 7334 1 1 16 GLU HB2 H -9.730 -4.332 -0.555 1.00 . A A . 16 GLU HB2 1 1 26 7335 1 1 16 GLU HB3 H -11.391 -3.808 -0.789 1.00 . A A . 16 GLU HB3 1 1 26 7336 1 1 16 GLU HG2 H -10.389 -1.720 -1.892 1.00 . A A . 16 GLU HG2 1 1 26 7337 1 1 16 GLU HG3 H -8.873 -2.618 -1.931 1.00 . A A . 16 GLU HG3 1 1 26 7338 1 1 16 GLU N N -8.911 -2.717 1.226 1.00 . A A . 16 GLU N 1 1 26 7339 1 1 16 GLU O O -11.147 -4.057 2.447 1.00 . A A . 16 GLU O 1 1 26 7340 1 1 16 GLU OE1 O -11.508 -3.084 -3.702 1.00 . A A . 16 GLU OE1 1 1 26 7341 1 1 16 GLU OE2 O -9.617 -4.211 -3.754 1.00 . A A . 16 GLU OE2 1 1 26 7342 1 1 17 VAL C C -15.105 -2.498 1.653 1.00 . A A . 17 VAL C 1 1 26 7343 1 1 17 VAL CA C -13.789 -2.579 2.474 1.00 . A A . 17 VAL CA 1 1 26 7344 1 1 17 VAL CB C -13.879 -1.655 3.795 1.00 . A A . 17 VAL CB 1 1 26 7345 1 1 17 VAL CG1 C -12.983 -2.211 4.897 1.00 . A A . 17 VAL CG1 1 1 26 7346 1 1 17 VAL CG2 C -13.569 -0.133 3.607 1.00 . A A . 17 VAL CG2 1 1 26 7347 1 1 17 VAL H H -12.623 -1.624 0.946 1.00 . A A . 17 VAL H 1 1 26 7348 1 1 17 VAL HA H -13.712 -3.605 2.814 1.00 . A A . 17 VAL HA 1 1 26 7349 1 1 17 VAL HB H -14.896 -1.735 4.155 1.00 . A A . 17 VAL HB 1 1 26 7350 1 1 17 VAL HG11 H -11.960 -2.236 4.552 1.00 . A A . 17 VAL HG11 1 1 26 7351 1 1 17 VAL HG12 H -13.053 -1.578 5.770 1.00 . A A . 17 VAL HG12 1 1 26 7352 1 1 17 VAL HG13 H -13.302 -3.211 5.150 1.00 . A A . 17 VAL HG13 1 1 26 7353 1 1 17 VAL HG21 H -14.243 0.283 2.872 1.00 . A A . 17 VAL HG21 1 1 26 7354 1 1 17 VAL HG22 H -13.701 0.380 4.548 1.00 . A A . 17 VAL HG22 1 1 26 7355 1 1 17 VAL HG23 H -12.549 -0.013 3.272 1.00 . A A . 17 VAL HG23 1 1 26 7356 1 1 17 VAL N N -12.567 -2.354 1.602 1.00 . A A . 17 VAL N 1 1 26 7357 1 1 17 VAL O O -15.251 -1.565 0.824 1.00 . A A . 17 VAL O 1 1 26 7358 1 1 17 VAL OXT O -15.972 -3.374 1.854 1.00 . A A . 17 VAL OXT 1 1 27 7359 1 1 1 MET C C -11.651 1.353 -1.146 1.00 . A A . 1 MET C 1 1 27 7360 1 1 1 MET CA C -13.077 1.906 -0.855 1.00 . A A . 1 MET CA 1 1 27 7361 1 1 1 MET CB C -13.146 2.536 0.562 1.00 . A A . 1 MET CB 1 1 27 7362 1 1 1 MET CE C -12.560 5.088 3.137 1.00 . A A . 1 MET CE 1 1 27 7363 1 1 1 MET CG C -13.047 4.065 0.598 1.00 . A A . 1 MET CG 1 1 27 7364 1 1 1 MET H1 H -14.093 0.395 -1.886 1.00 . A A . 1 MET H1 1 1 27 7365 1 1 1 MET H2 H -13.964 0.119 -0.222 1.00 . A A . 1 MET H2 1 1 27 7366 1 1 1 MET H3 H -15.067 1.262 -0.808 1.00 . A A . 1 MET H3 1 1 27 7367 1 1 1 MET HA H -13.306 2.663 -1.589 1.00 . A A . 1 MET HA 1 1 27 7368 1 1 1 MET HB2 H -14.081 2.254 1.019 1.00 . A A . 1 MET HB2 1 1 27 7369 1 1 1 MET HB3 H -12.334 2.138 1.158 1.00 . A A . 1 MET HB3 1 1 27 7370 1 1 1 MET HE1 H -11.847 4.279 3.060 1.00 . A A . 1 MET HE1 1 1 27 7371 1 1 1 MET HE2 H -12.076 6.019 2.884 1.00 . A A . 1 MET HE2 1 1 27 7372 1 1 1 MET HE3 H -12.937 5.139 4.149 1.00 . A A . 1 MET HE3 1 1 27 7373 1 1 1 MET HG2 H -12.003 4.341 0.661 1.00 . A A . 1 MET HG2 1 1 27 7374 1 1 1 MET HG3 H -13.469 4.463 -0.313 1.00 . A A . 1 MET HG3 1 1 27 7375 1 1 1 MET N N -14.124 0.846 -0.949 1.00 . A A . 1 MET N 1 1 27 7376 1 1 1 MET O O -11.330 0.188 -0.744 1.00 . A A . 1 MET O 1 1 27 7377 1 1 1 MET SD S -13.918 4.790 2.005 1.00 . A A . 1 MET SD 1 1 27 7378 1 1 2 GLN C C -8.498 3.149 -1.748 1.00 . A A . 2 GLN C 1 1 27 7379 1 1 2 GLN CA C -9.404 1.978 -2.214 1.00 . A A . 2 GLN CA 1 1 27 7380 1 1 2 GLN CB C -9.258 1.713 -3.738 1.00 . A A . 2 GLN CB 1 1 27 7381 1 1 2 GLN CD C -9.717 0.046 -5.622 1.00 . A A . 2 GLN CD 1 1 27 7382 1 1 2 GLN CG C -9.399 0.244 -4.138 1.00 . A A . 2 GLN CG 1 1 27 7383 1 1 2 GLN H H -11.187 3.119 -2.076 1.00 . A A . 2 GLN H 1 1 27 7384 1 1 2 GLN HA H -9.094 1.091 -1.676 1.00 . A A . 2 GLN HA 1 1 27 7385 1 1 2 GLN HB2 H -10.011 2.279 -4.265 1.00 . A A . 2 GLN HB2 1 1 27 7386 1 1 2 GLN HB3 H -8.281 2.051 -4.053 1.00 . A A . 2 GLN HB3 1 1 27 7387 1 1 2 GLN HE21 H -7.768 -0.102 -6.095 1.00 . A A . 2 GLN HE21 1 1 27 7388 1 1 2 GLN HE22 H -8.879 -0.245 -7.412 1.00 . A A . 2 GLN HE22 1 1 27 7389 1 1 2 GLN HG2 H -8.468 -0.263 -3.920 1.00 . A A . 2 GLN HG2 1 1 27 7390 1 1 2 GLN HG3 H -10.192 -0.198 -3.553 1.00 . A A . 2 GLN HG3 1 1 27 7391 1 1 2 GLN N N -10.821 2.239 -1.833 1.00 . A A . 2 GLN N 1 1 27 7392 1 1 2 GLN NE2 N -8.682 -0.117 -6.460 1.00 . A A . 2 GLN NE2 1 1 27 7393 1 1 2 GLN O O -8.811 4.354 -2.027 1.00 . A A . 2 GLN O 1 1 27 7394 1 1 2 GLN OE1 O -10.888 0.022 -6.018 1.00 . A A . 2 GLN OE1 1 1 27 7395 1 1 3 ILE C C -4.968 2.912 -0.420 1.00 . A A . 3 ILE C 1 1 27 7396 1 1 3 ILE CA C -6.332 3.654 -0.421 1.00 . A A . 3 ILE CA 1 1 27 7397 1 1 3 ILE CB C -6.686 4.328 1.013 1.00 . A A . 3 ILE CB 1 1 27 7398 1 1 3 ILE CD1 C -6.642 3.233 3.407 1.00 . A A . 3 ILE CD1 1 1 27 7399 1 1 3 ILE CG1 C -7.364 3.346 2.069 1.00 . A A . 3 ILE CG1 1 1 27 7400 1 1 3 ILE CG2 C -7.567 5.572 0.778 1.00 . A A . 3 ILE CG2 1 1 27 7401 1 1 3 ILE H H -7.269 1.785 -0.852 1.00 . A A . 3 ILE H 1 1 27 7402 1 1 3 ILE HA H -6.223 4.466 -1.136 1.00 . A A . 3 ILE HA 1 1 27 7403 1 1 3 ILE HB H -5.750 4.686 1.421 1.00 . A A . 3 ILE HB 1 1 27 7404 1 1 3 ILE HD11 H -6.130 4.160 3.618 1.00 . A A . 3 ILE HD11 1 1 27 7405 1 1 3 ILE HD12 H -7.366 3.035 4.184 1.00 . A A . 3 ILE HD12 1 1 27 7406 1 1 3 ILE HD13 H -5.927 2.426 3.364 1.00 . A A . 3 ILE HD13 1 1 27 7407 1 1 3 ILE HG21 H -7.170 6.143 -0.048 1.00 . A A . 3 ILE HG21 1 1 27 7408 1 1 3 ILE HG22 H -8.576 5.261 0.551 1.00 . A A . 3 ILE HG22 1 1 27 7409 1 1 3 ILE HG23 H -7.571 6.183 1.669 1.00 . A A . 3 ILE HG23 1 1 27 7410 1 1 3 ILE N N -7.387 2.749 -1.012 1.00 . A A . 3 ILE N 1 1 27 7411 1 1 3 ILE O O -4.846 1.823 0.218 1.00 . A A . 3 ILE O 1 1 27 7412 1 1 4 PHE C C -1.582 3.461 -0.385 1.00 . A A . 4 PHE C 1 1 27 7413 1 1 4 PHE CA C -2.606 2.987 -1.449 1.00 . A A . 4 PHE CA 1 1 27 7414 1 1 4 PHE CB C -2.146 3.408 -2.887 1.00 . A A . 4 PHE CB 1 1 27 7415 1 1 4 PHE CD1 C -3.668 2.186 -4.754 1.00 . A A . 4 PHE CD1 1 1 27 7416 1 1 4 PHE CD2 C -1.119 1.577 -4.500 1.00 . A A . 4 PHE CD2 1 1 27 7417 1 1 4 PHE CE1 C -3.789 1.215 -5.906 1.00 . A A . 4 PHE CE1 1 1 27 7418 1 1 4 PHE CE2 C -1.247 0.597 -5.651 1.00 . A A . 4 PHE CE2 1 1 27 7419 1 1 4 PHE CG C -2.320 2.386 -4.022 1.00 . A A . 4 PHE CG 1 1 27 7420 1 1 4 PHE CZ C -2.578 0.419 -6.356 1.00 . A A . 4 PHE CZ 1 1 27 7421 1 1 4 PHE H H -4.244 4.337 -1.688 1.00 . A A . 4 PHE H 1 1 27 7422 1 1 4 PHE HA H -2.658 1.910 -1.411 1.00 . A A . 4 PHE HA 1 1 27 7423 1 1 4 PHE HB2 H -2.700 4.284 -3.173 1.00 . A A . 4 PHE HB2 1 1 27 7424 1 1 4 PHE HB3 H -1.099 3.664 -2.842 1.00 . A A . 4 PHE HB3 1 1 27 7425 1 1 4 PHE HD1 H -4.536 2.743 -4.429 1.00 . A A . 4 PHE HD1 1 1 27 7426 1 1 4 PHE HD2 H -0.169 1.698 -4.003 1.00 . A A . 4 PHE HD2 1 1 27 7427 1 1 4 PHE HE1 H -4.739 1.081 -6.400 1.00 . A A . 4 PHE HE1 1 1 27 7428 1 1 4 PHE HE2 H -0.387 0.028 -5.971 1.00 . A A . 4 PHE HE2 1 1 27 7429 1 1 4 PHE HZ H -2.664 -0.275 -7.179 1.00 . A A . 4 PHE HZ 1 1 27 7430 1 1 4 PHE N N -3.995 3.510 -1.211 1.00 . A A . 4 PHE N 1 1 27 7431 1 1 4 PHE O O -1.677 4.627 0.105 1.00 . A A . 4 PHE O 1 1 27 7432 1 1 5 VAL C C 1.852 2.108 0.361 1.00 . A A . 5 VAL C 1 1 27 7433 1 1 5 VAL CA C 0.524 2.703 0.922 1.00 . A A . 5 VAL CA 1 1 27 7434 1 1 5 VAL CB C 0.236 2.180 2.422 1.00 . A A . 5 VAL CB 1 1 27 7435 1 1 5 VAL CG1 C -0.598 3.200 3.189 1.00 . A A . 5 VAL CG1 1 1 27 7436 1 1 5 VAL CG2 C -0.432 0.773 2.556 1.00 . A A . 5 VAL CG2 1 1 27 7437 1 1 5 VAL H H -0.643 1.648 -0.529 1.00 . A A . 5 VAL H 1 1 27 7438 1 1 5 VAL HA H 0.677 3.777 0.982 1.00 . A A . 5 VAL HA 1 1 27 7439 1 1 5 VAL HB H 1.197 2.129 2.922 1.00 . A A . 5 VAL HB 1 1 27 7440 1 1 5 VAL HG11 H -0.151 4.178 3.091 1.00 . A A . 5 VAL HG11 1 1 27 7441 1 1 5 VAL HG12 H -1.600 3.220 2.787 1.00 . A A . 5 VAL HG12 1 1 27 7442 1 1 5 VAL HG13 H -0.634 2.923 4.233 1.00 . A A . 5 VAL HG13 1 1 27 7443 1 1 5 VAL HG21 H 0.044 0.083 1.874 1.00 . A A . 5 VAL HG21 1 1 27 7444 1 1 5 VAL HG22 H -0.318 0.416 3.569 1.00 . A A . 5 VAL HG22 1 1 27 7445 1 1 5 VAL HG23 H -1.482 0.849 2.317 1.00 . A A . 5 VAL HG23 1 1 27 7446 1 1 5 VAL N N -0.607 2.516 -0.067 1.00 . A A . 5 VAL N 1 1 27 7447 1 1 5 VAL O O 1.842 0.938 -0.130 1.00 . A A . 5 VAL O 1 1 27 7448 1 1 6 LYS C C 5.413 2.796 1.069 1.00 . A A . 6 LYS C 1 1 27 7449 1 1 6 LYS CA C 4.335 2.629 -0.045 1.00 . A A . 6 LYS CA 1 1 27 7450 1 1 6 LYS CB C 4.670 3.502 -1.282 1.00 . A A . 6 LYS CB 1 1 27 7451 1 1 6 LYS CD C 5.256 3.481 -3.768 1.00 . A A . 6 LYS CD 1 1 27 7452 1 1 6 LYS CE C 6.407 3.145 -4.711 1.00 . A A . 6 LYS CE 1 1 27 7453 1 1 6 LYS CG C 5.379 2.753 -2.425 1.00 . A A . 6 LYS CG 1 1 27 7454 1 1 6 LYS H H 2.823 3.846 0.832 1.00 . A A . 6 LYS H 1 1 27 7455 1 1 6 LYS HA H 4.324 1.590 -0.345 1.00 . A A . 6 LYS HA 1 1 27 7456 1 1 6 LYS HB2 H 3.750 3.915 -1.669 1.00 . A A . 6 LYS HB2 1 1 27 7457 1 1 6 LYS HB3 H 5.308 4.315 -0.966 1.00 . A A . 6 LYS HB3 1 1 27 7458 1 1 6 LYS HD2 H 4.329 3.185 -4.235 1.00 . A A . 6 LYS HD2 1 1 27 7459 1 1 6 LYS HD3 H 5.248 4.549 -3.597 1.00 . A A . 6 LYS HD3 1 1 27 7460 1 1 6 LYS HE2 H 7.295 3.655 -4.368 1.00 . A A . 6 LYS HE2 1 1 27 7461 1 1 6 LYS HE3 H 6.574 2.078 -4.688 1.00 . A A . 6 LYS HE3 1 1 27 7462 1 1 6 LYS HG2 H 6.425 2.653 -2.169 1.00 . A A . 6 LYS HG2 1 1 27 7463 1 1 6 LYS HG3 H 4.940 1.770 -2.518 1.00 . A A . 6 LYS HG3 1 1 27 7464 1 1 6 LYS HZ1 H 5.893 4.577 -6.142 1.00 . A A . 6 LYS HZ1 1 1 27 7465 1 1 6 LYS HZ2 H 6.946 3.382 -6.715 1.00 . A A . 6 LYS HZ2 1 1 27 7466 1 1 6 LYS HZ3 H 5.309 3.027 -6.484 1.00 . A A . 6 LYS HZ3 1 1 27 7467 1 1 6 LYS N N 2.955 2.955 0.438 1.00 . A A . 6 LYS N 1 1 27 7468 1 1 6 LYS NZ N 6.119 3.562 -6.111 1.00 . A A . 6 LYS NZ 1 1 27 7469 1 1 6 LYS O O 5.303 3.731 1.919 1.00 . A A . 6 LYS O 1 1 27 7470 1 1 7 THR C C 8.969 2.009 1.177 1.00 . A A . 7 THR C 1 1 27 7471 1 1 7 THR CA C 7.631 1.781 1.941 1.00 . A A . 7 THR CA 1 1 27 7472 1 1 7 THR CB C 7.712 0.418 2.723 1.00 . A A . 7 THR CB 1 1 27 7473 1 1 7 THR CG2 C 6.752 0.373 3.916 1.00 . A A . 7 THR CG2 1 1 27 7474 1 1 7 THR H H 6.412 1.191 0.288 1.00 . A A . 7 THR H 1 1 27 7475 1 1 7 THR HA H 7.520 2.575 2.667 1.00 . A A . 7 THR HA 1 1 27 7476 1 1 7 THR HB H 8.718 0.322 3.103 1.00 . A A . 7 THR HB 1 1 27 7477 1 1 7 THR HG1 H 8.160 -1.335 1.938 1.00 . A A . 7 THR HG1 1 1 27 7478 1 1 7 THR HG21 H 5.833 0.880 3.658 1.00 . A A . 7 THR HG21 1 1 27 7479 1 1 7 THR HG22 H 6.537 -0.656 4.164 1.00 . A A . 7 THR HG22 1 1 27 7480 1 1 7 THR HG23 H 7.208 0.861 4.764 1.00 . A A . 7 THR HG23 1 1 27 7481 1 1 7 THR N N 6.446 1.861 1.007 1.00 . A A . 7 THR N 1 1 27 7482 1 1 7 THR O O 9.099 1.570 -0.007 1.00 . A A . 7 THR O 1 1 27 7483 1 1 7 THR OG1 O 7.452 -0.692 1.857 1.00 . A A . 7 THR OG1 1 1 27 7484 1 1 8 LEU C C 12.305 1.825 1.216 1.00 . A A . 8 LEU C 1 1 27 7485 1 1 8 LEU CA C 11.342 3.065 1.394 1.00 . A A . 8 LEU CA 1 1 27 7486 1 1 8 LEU CB C 11.973 4.130 2.341 1.00 . A A . 8 LEU CB 1 1 27 7487 1 1 8 LEU CD1 C 10.921 6.416 2.867 1.00 . A A . 8 LEU CD1 1 1 27 7488 1 1 8 LEU CD2 C 13.131 6.327 1.697 1.00 . A A . 8 LEU CD2 1 1 27 7489 1 1 8 LEU CG C 11.787 5.621 1.888 1.00 . A A . 8 LEU CG 1 1 27 7490 1 1 8 LEU H H 9.720 2.987 2.810 1.00 . A A . 8 LEU H 1 1 27 7491 1 1 8 LEU HA H 11.213 3.515 0.420 1.00 . A A . 8 LEU HA 1 1 27 7492 1 1 8 LEU HB2 H 11.534 3.995 3.322 1.00 . A A . 8 LEU HB2 1 1 27 7493 1 1 8 LEU HB3 H 13.029 3.913 2.417 1.00 . A A . 8 LEU HB3 1 1 27 7494 1 1 8 LEU HD11 H 9.978 5.909 3.007 1.00 . A A . 8 LEU HD11 1 1 27 7495 1 1 8 LEU HD12 H 11.430 6.497 3.816 1.00 . A A . 8 LEU HD12 1 1 27 7496 1 1 8 LEU HD13 H 10.743 7.405 2.470 1.00 . A A . 8 LEU HD13 1 1 27 7497 1 1 8 LEU HD21 H 13.739 5.762 1.007 1.00 . A A . 8 LEU HD21 1 1 27 7498 1 1 8 LEU HD22 H 12.963 7.318 1.300 1.00 . A A . 8 LEU HD22 1 1 27 7499 1 1 8 LEU HD23 H 13.638 6.401 2.648 1.00 . A A . 8 LEU HD23 1 1 27 7500 1 1 8 LEU HG H 11.278 5.634 0.934 1.00 . A A . 8 LEU HG 1 1 27 7501 1 1 8 LEU N N 9.951 2.705 1.895 1.00 . A A . 8 LEU N 1 1 27 7502 1 1 8 LEU O O 13.307 1.937 0.442 1.00 . A A . 8 LEU O 1 1 27 7503 1 1 9 ASP C C 12.588 -1.418 0.527 1.00 . A A . 9 ASP C 1 1 27 7504 1 1 9 ASP CA C 12.707 -0.662 1.889 1.00 . A A . 9 ASP CA 1 1 27 7505 1 1 9 ASP CB C 12.244 -1.576 3.052 1.00 . A A . 9 ASP CB 1 1 27 7506 1 1 9 ASP CG C 13.165 -1.517 4.266 1.00 . A A . 9 ASP CG 1 1 27 7507 1 1 9 ASP H H 11.135 0.691 2.455 1.00 . A A . 9 ASP H 1 1 27 7508 1 1 9 ASP HA H 13.750 -0.427 2.042 1.00 . A A . 9 ASP HA 1 1 27 7509 1 1 9 ASP HB2 H 11.255 -1.275 3.363 1.00 . A A . 9 ASP HB2 1 1 27 7510 1 1 9 ASP HB3 H 12.208 -2.598 2.701 1.00 . A A . 9 ASP HB3 1 1 27 7511 1 1 9 ASP N N 11.954 0.656 1.914 1.00 . A A . 9 ASP N 1 1 27 7512 1 1 9 ASP O O 13.614 -2.018 0.098 1.00 . A A . 9 ASP O 1 1 27 7513 1 1 9 ASP OD1 O 14.120 -2.325 4.333 1.00 . A A . 9 ASP OD1 1 1 27 7514 1 1 9 ASP OD2 O 12.922 -0.673 5.159 1.00 . A A . 9 ASP OD2 1 1 27 7515 1 1 10 GLY C C 9.846 -2.940 -1.391 1.00 . A A . 10 GLY C 1 1 27 7516 1 1 10 GLY CA C 11.028 -1.973 -1.434 1.00 . A A . 10 GLY CA 1 1 27 7517 1 1 10 GLY H H 10.634 -0.828 0.322 1.00 . A A . 10 GLY H 1 1 27 7518 1 1 10 GLY HA2 H 11.902 -2.510 -1.776 1.00 . A A . 10 GLY HA2 1 1 27 7519 1 1 10 GLY HA3 H 10.805 -1.192 -2.145 1.00 . A A . 10 GLY HA3 1 1 27 7520 1 1 10 GLY N N 11.344 -1.344 -0.119 1.00 . A A . 10 GLY N 1 1 27 7521 1 1 10 GLY O O 10.009 -4.092 -1.870 1.00 . A A . 10 GLY O 1 1 27 7522 1 1 11 LYS C C 6.147 -2.294 -1.050 1.00 . A A . 11 LYS C 1 1 27 7523 1 1 11 LYS CA C 7.366 -3.190 -0.687 1.00 . A A . 11 LYS CA 1 1 27 7524 1 1 11 LYS CB C 7.199 -3.766 0.751 1.00 . A A . 11 LYS CB 1 1 27 7525 1 1 11 LYS CD C 8.737 -5.549 1.852 1.00 . A A . 11 LYS CD 1 1 27 7526 1 1 11 LYS CE C 8.351 -6.374 3.087 1.00 . A A . 11 LYS CE 1 1 27 7527 1 1 11 LYS CG C 7.540 -5.270 0.898 1.00 . A A . 11 LYS CG 1 1 27 7528 1 1 11 LYS H H 8.676 -1.513 -0.499 1.00 . A A . 11 LYS H 1 1 27 7529 1 1 11 LYS HA H 7.397 -4.011 -1.391 1.00 . A A . 11 LYS HA 1 1 27 7530 1 1 11 LYS HB2 H 7.828 -3.197 1.420 1.00 . A A . 11 LYS HB2 1 1 27 7531 1 1 11 LYS HB3 H 6.170 -3.628 1.053 1.00 . A A . 11 LYS HB3 1 1 27 7532 1 1 11 LYS HD2 H 9.487 -6.097 1.303 1.00 . A A . 11 LYS HD2 1 1 27 7533 1 1 11 LYS HD3 H 9.162 -4.610 2.183 1.00 . A A . 11 LYS HD3 1 1 27 7534 1 1 11 LYS HE2 H 9.011 -6.110 3.898 1.00 . A A . 11 LYS HE2 1 1 27 7535 1 1 11 LYS HE3 H 7.331 -6.139 3.364 1.00 . A A . 11 LYS HE3 1 1 27 7536 1 1 11 LYS HG2 H 6.662 -5.775 1.272 1.00 . A A . 11 LYS HG2 1 1 27 7537 1 1 11 LYS HG3 H 7.780 -5.671 -0.078 1.00 . A A . 11 LYS HG3 1 1 27 7538 1 1 11 LYS HZ1 H 7.954 -8.089 1.962 1.00 . A A . 11 LYS HZ1 1 1 27 7539 1 1 11 LYS HZ2 H 9.459 -8.109 2.732 1.00 . A A . 11 LYS HZ2 1 1 27 7540 1 1 11 LYS HZ3 H 8.048 -8.369 3.627 1.00 . A A . 11 LYS HZ3 1 1 27 7541 1 1 11 LYS N N 8.665 -2.440 -0.826 1.00 . A A . 11 LYS N 1 1 27 7542 1 1 11 LYS NZ N 8.461 -7.838 2.834 1.00 . A A . 11 LYS NZ 1 1 27 7543 1 1 11 LYS O O 6.140 -1.069 -0.705 1.00 . A A . 11 LYS O 1 1 27 7544 1 1 12 THR C C 2.643 -3.276 -1.925 1.00 . A A . 12 THR C 1 1 27 7545 1 1 12 THR CA C 3.838 -2.320 -2.202 1.00 . A A . 12 THR CA 1 1 27 7546 1 1 12 THR CB C 3.850 -1.873 -3.716 1.00 . A A . 12 THR CB 1 1 27 7547 1 1 12 THR CG2 C 4.567 -0.535 -3.912 1.00 . A A . 12 THR CG2 1 1 27 7548 1 1 12 THR H H 5.250 -3.903 -1.947 1.00 . A A . 12 THR H 1 1 27 7549 1 1 12 THR HA H 3.692 -1.432 -1.598 1.00 . A A . 12 THR HA 1 1 27 7550 1 1 12 THR HB H 2.823 -1.750 -4.029 1.00 . A A . 12 THR HB 1 1 27 7551 1 1 12 THR HG1 H 5.355 -3.039 -4.250 1.00 . A A . 12 THR HG1 1 1 27 7552 1 1 12 THR HG21 H 5.500 -0.544 -3.368 1.00 . A A . 12 THR HG21 1 1 27 7553 1 1 12 THR HG22 H 4.765 -0.383 -4.964 1.00 . A A . 12 THR HG22 1 1 27 7554 1 1 12 THR HG23 H 3.943 0.265 -3.544 1.00 . A A . 12 THR HG23 1 1 27 7555 1 1 12 THR N N 5.128 -2.949 -1.743 1.00 . A A . 12 THR N 1 1 27 7556 1 1 12 THR O O 2.699 -4.488 -2.313 1.00 . A A . 12 THR O 1 1 27 7557 1 1 12 THR OG1 O 4.458 -2.873 -4.550 1.00 . A A . 12 THR OG1 1 1 27 7558 1 1 13 ILE C C -0.892 -2.395 -0.686 1.00 . A A . 13 ILE C 1 1 27 7559 1 1 13 ILE CA C 0.299 -3.393 -0.788 1.00 . A A . 13 ILE CA 1 1 27 7560 1 1 13 ILE CB C 0.392 -4.274 0.568 1.00 . A A . 13 ILE CB 1 1 27 7561 1 1 13 ILE CD1 C 0.329 -3.439 3.061 1.00 . A A . 13 ILE CD1 1 1 27 7562 1 1 13 ILE CG1 C 1.161 -3.586 1.791 1.00 . A A . 13 ILE CG1 1 1 27 7563 1 1 13 ILE CG2 C 1.002 -5.649 0.251 1.00 . A A . 13 ILE CG2 1 1 27 7564 1 1 13 ILE H H 1.677 -1.753 -0.954 1.00 . A A . 13 ILE H 1 1 27 7565 1 1 13 ILE HA H 0.056 -4.076 -1.594 1.00 . A A . 13 ILE HA 1 1 27 7566 1 1 13 ILE HB H -0.631 -4.464 0.869 1.00 . A A . 13 ILE HB 1 1 27 7567 1 1 13 ILE HD11 H -0.105 -4.396 3.311 1.00 . A A . 13 ILE HD11 1 1 27 7568 1 1 13 ILE HD12 H 0.962 -3.107 3.870 1.00 . A A . 13 ILE HD12 1 1 27 7569 1 1 13 ILE HD13 H -0.456 -2.717 2.897 1.00 . A A . 13 ILE HD13 1 1 27 7570 1 1 13 ILE HG12 H 2.041 -4.159 2.046 1.00 . A A . 13 ILE HG12 1 1 27 7571 1 1 13 ILE HG13 H 1.469 -2.595 1.488 1.00 . A A . 13 ILE HG13 1 1 27 7572 1 1 13 ILE HG21 H 1.984 -5.518 -0.179 1.00 . A A . 13 ILE HG21 1 1 27 7573 1 1 13 ILE HG22 H 1.081 -6.221 1.164 1.00 . A A . 13 ILE HG22 1 1 27 7574 1 1 13 ILE HG23 H 0.368 -6.172 -0.449 1.00 . A A . 13 ILE HG23 1 1 27 7575 1 1 13 ILE N N 1.585 -2.697 -1.216 1.00 . A A . 13 ILE N 1 1 27 7576 1 1 13 ILE O O -0.698 -1.263 -0.154 1.00 . A A . 13 ILE O 1 1 27 7577 1 1 14 THR C C -4.210 -2.347 0.110 1.00 . A A . 14 THR C 1 1 27 7578 1 1 14 THR CA C -3.402 -2.101 -1.193 1.00 . A A . 14 THR CA 1 1 27 7579 1 1 14 THR CB C -4.340 -2.424 -2.419 1.00 . A A . 14 THR CB 1 1 27 7580 1 1 14 THR CG2 C -3.911 -1.729 -3.697 1.00 . A A . 14 THR CG2 1 1 27 7581 1 1 14 THR H H -2.122 -3.774 -1.569 1.00 . A A . 14 THR H 1 1 27 7582 1 1 14 THR HA H -3.152 -1.049 -1.237 1.00 . A A . 14 THR HA 1 1 27 7583 1 1 14 THR HB H -5.327 -2.053 -2.172 1.00 . A A . 14 THR HB 1 1 27 7584 1 1 14 THR HG1 H -5.273 -4.047 -3.048 1.00 . A A . 14 THR HG1 1 1 27 7585 1 1 14 THR HG21 H -3.420 -0.798 -3.461 1.00 . A A . 14 THR HG21 1 1 27 7586 1 1 14 THR HG22 H -3.238 -2.368 -4.247 1.00 . A A . 14 THR HG22 1 1 27 7587 1 1 14 THR HG23 H -4.790 -1.528 -4.296 1.00 . A A . 14 THR HG23 1 1 27 7588 1 1 14 THR N N -2.102 -2.867 -1.192 1.00 . A A . 14 THR N 1 1 27 7589 1 1 14 THR O O -4.237 -3.516 0.623 1.00 . A A . 14 THR O 1 1 27 7590 1 1 14 THR OG1 O -4.425 -3.838 -2.648 1.00 . A A . 14 THR OG1 1 1 27 7591 1 1 15 LEU C C -7.231 -1.016 1.287 1.00 . A A . 15 LEU C 1 1 27 7592 1 1 15 LEU CA C -5.767 -1.210 1.784 1.00 . A A . 15 LEU CA 1 1 27 7593 1 1 15 LEU CB C -5.285 -0.147 2.823 1.00 . A A . 15 LEU CB 1 1 27 7594 1 1 15 LEU CD1 C -3.574 -0.435 4.714 1.00 . A A . 15 LEU CD1 1 1 27 7595 1 1 15 LEU CD2 C -5.983 -0.098 5.296 1.00 . A A . 15 LEU CD2 1 1 27 7596 1 1 15 LEU CG C -5.013 -0.693 4.269 1.00 . A A . 15 LEU CG 1 1 27 7597 1 1 15 LEU H H -4.808 -0.390 0.083 1.00 . A A . 15 LEU H 1 1 27 7598 1 1 15 LEU HA H -5.701 -2.195 2.231 1.00 . A A . 15 LEU HA 1 1 27 7599 1 1 15 LEU HB2 H -4.378 0.299 2.433 1.00 . A A . 15 LEU HB2 1 1 27 7600 1 1 15 LEU HB3 H -6.040 0.626 2.874 1.00 . A A . 15 LEU HB3 1 1 27 7601 1 1 15 LEU HD11 H -2.896 -0.728 3.926 1.00 . A A . 15 LEU HD11 1 1 27 7602 1 1 15 LEU HD12 H -3.446 0.616 4.926 1.00 . A A . 15 LEU HD12 1 1 27 7603 1 1 15 LEU HD13 H -3.364 -1.011 5.603 1.00 . A A . 15 LEU HD13 1 1 27 7604 1 1 15 LEU HD21 H -6.997 -0.217 4.944 1.00 . A A . 15 LEU HD21 1 1 27 7605 1 1 15 LEU HD22 H -5.867 -0.610 6.239 1.00 . A A . 15 LEU HD22 1 1 27 7606 1 1 15 LEU HD23 H -5.768 0.952 5.428 1.00 . A A . 15 LEU HD23 1 1 27 7607 1 1 15 LEU HG H -5.159 -1.764 4.270 1.00 . A A . 15 LEU HG 1 1 27 7608 1 1 15 LEU N N -4.888 -1.228 0.592 1.00 . A A . 15 LEU N 1 1 27 7609 1 1 15 LEU O O -7.603 0.093 0.763 1.00 . A A . 15 LEU O 1 1 27 7610 1 1 16 GLU C C -10.374 -2.821 2.041 1.00 . A A . 16 GLU C 1 1 27 7611 1 1 16 GLU CA C -9.432 -2.294 0.922 1.00 . A A . 16 GLU CA 1 1 27 7612 1 1 16 GLU CB C -9.486 -3.216 -0.322 1.00 . A A . 16 GLU CB 1 1 27 7613 1 1 16 GLU CD C -9.965 -3.228 -2.835 1.00 . A A . 16 GLU CD 1 1 27 7614 1 1 16 GLU CG C -9.340 -2.482 -1.660 1.00 . A A . 16 GLU CG 1 1 27 7615 1 1 16 GLU H H -7.596 -2.978 1.749 1.00 . A A . 16 GLU H 1 1 27 7616 1 1 16 GLU HA H -9.762 -1.306 0.636 1.00 . A A . 16 GLU HA 1 1 27 7617 1 1 16 GLU HB2 H -8.686 -3.938 -0.251 1.00 . A A . 16 GLU HB2 1 1 27 7618 1 1 16 GLU HB3 H -10.430 -3.740 -0.324 1.00 . A A . 16 GLU HB3 1 1 27 7619 1 1 16 GLU HG2 H -9.815 -1.516 -1.579 1.00 . A A . 16 GLU HG2 1 1 27 7620 1 1 16 GLU HG3 H -8.285 -2.341 -1.865 1.00 . A A . 16 GLU HG3 1 1 27 7621 1 1 16 GLU N N -8.013 -2.165 1.385 1.00 . A A . 16 GLU N 1 1 27 7622 1 1 16 GLU O O -9.947 -3.690 2.867 1.00 . A A . 16 GLU O 1 1 27 7623 1 1 16 GLU OE1 O -9.255 -4.034 -3.481 1.00 . A A . 16 GLU OE1 1 1 27 7624 1 1 16 GLU OE2 O -11.163 -2.995 -3.123 1.00 . A A . 16 GLU OE2 1 1 27 7625 1 1 17 VAL C C -13.953 -3.282 2.226 1.00 . A A . 17 VAL C 1 1 27 7626 1 1 17 VAL CA C -12.756 -2.592 2.991 1.00 . A A . 17 VAL CA 1 1 27 7627 1 1 17 VAL CB C -13.116 -1.293 3.910 1.00 . A A . 17 VAL CB 1 1 27 7628 1 1 17 VAL CG1 C -13.855 -0.114 3.209 1.00 . A A . 17 VAL CG1 1 1 27 7629 1 1 17 VAL CG2 C -13.838 -1.670 5.220 1.00 . A A . 17 VAL CG2 1 1 27 7630 1 1 17 VAL H H -11.860 -1.599 1.337 1.00 . A A . 17 VAL H 1 1 27 7631 1 1 17 VAL HA H -12.345 -3.345 3.658 1.00 . A A . 17 VAL HA 1 1 27 7632 1 1 17 VAL HB H -12.158 -0.887 4.210 1.00 . A A . 17 VAL HB 1 1 27 7633 1 1 17 VAL HG11 H -13.286 0.208 2.349 1.00 . A A . 17 VAL HG11 1 1 27 7634 1 1 17 VAL HG12 H -14.835 -0.442 2.893 1.00 . A A . 17 VAL HG12 1 1 27 7635 1 1 17 VAL HG13 H -13.957 0.709 3.901 1.00 . A A . 17 VAL HG13 1 1 27 7636 1 1 17 VAL HG21 H -13.258 -2.409 5.753 1.00 . A A . 17 VAL HG21 1 1 27 7637 1 1 17 VAL HG22 H -13.949 -0.789 5.836 1.00 . A A . 17 VAL HG22 1 1 27 7638 1 1 17 VAL HG23 H -14.812 -2.075 4.990 1.00 . A A . 17 VAL HG23 1 1 27 7639 1 1 17 VAL N N -11.655 -2.264 2.032 1.00 . A A . 17 VAL N 1 1 27 7640 1 1 17 VAL O O -14.451 -2.692 1.241 1.00 . A A . 17 VAL O 1 1 27 7641 1 1 17 VAL OXT O -14.353 -4.391 2.638 1.00 . A A . 17 VAL OXT 1 1 stop_ save_
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