NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
539154 | 2ld0 | 17642 | cing | 4-filtered-FRED | STAR | entry | full | 109 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2ld0 # This FRED archive file contains, for PDB entry <2ld0>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396. save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.PDB_coordinate_file_version . _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_2ld0 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2ld0 _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 1975.42 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 $Huntingtin A . 1 1 stop_ save_ save_Huntingtin _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name Huntingtin _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code MATLEKLMKAFESLKSFX _Entity.Number_of_monomers 18 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 MET . 1 1 2 ALA . 1 1 3 THR . 1 1 4 LEU . 1 1 5 GLU . 1 1 6 LYS . 1 1 7 LEU . 1 1 8 MET . 1 1 9 LYS . 1 1 10 ALA . 1 1 11 PHE . 1 1 12 GLU . 1 1 13 SER . 1 1 14 LEU . 1 1 15 LYS . 1 1 16 SER . 1 1 17 PHE . 1 1 18 NH2 $NH2 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID MET 1 1 1 1 ALA 2 2 1 1 THR 3 3 1 1 LEU 4 4 1 1 GLU 5 5 1 1 LYS 6 6 1 1 LEU 7 7 1 1 MET 8 8 1 1 LYS 9 9 1 1 ALA 10 10 1 1 PHE 11 11 1 1 GLU 12 12 1 1 SER 13 13 1 1 LEU 14 14 1 1 LYS 15 15 1 1 SER 16 16 1 1 PHE 17 17 1 1 NH2 18 18 1 1 stop_ save_ save_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID NH2 _Chem_comp.Type non-polymer save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 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 3 THR H . 3 . HN 1 1 1 1 2 1 1 3 THR HG1 . 3 . HG1 1 1 2 1 1 1 1 3 THR H . 3 . HN 1 1 2 1 2 1 1 4 LEU H . 4 . HN 1 1 3 1 1 1 1 3 THR H . 3 . HN 1 1 3 1 2 1 1 4 LEU HG . 4 . HG 1 1 4 1 1 1 1 3 THR HA . 3 . HA 1 1 4 1 2 1 1 4 LEU H . 4 . HN 1 1 5 1 1 1 1 3 THR HA . 3 . HA 1 1 5 1 2 1 1 5 GLU H . 5 . HN 1 1 6 1 1 1 1 3 THR HA . 3 . HA 1 1 6 1 2 1 1 7 LEU H . 7 . HN 1 1 7 1 1 1 1 4 LEU H . 4 . HN 1 1 7 1 2 1 1 4 LEU HA . 4 . HA 1 1 8 1 1 1 1 4 LEU H . 4 . HN 1 1 8 1 2 1 1 4 LEU QB . 4 . HB+ 1 1 9 1 1 1 1 4 LEU H . 4 . HN 1 1 9 1 2 1 1 4 LEU MD1 . 4 . HD1+ 1 1 10 1 1 1 1 4 LEU H . 4 . HN 1 1 10 1 2 1 1 4 LEU HG . 4 . HG 1 1 11 1 1 1 1 4 LEU H . 4 . HN 1 1 11 1 2 1 1 5 GLU H . 5 . HN 1 1 12 1 1 1 1 4 LEU HA . 4 . HA 1 1 12 1 2 1 1 5 GLU H . 5 . HN 1 1 13 1 1 1 1 4 LEU HA . 4 . HA 1 1 13 1 2 1 1 6 LYS H . 6 . HN 1 1 14 1 1 1 1 4 LEU HA . 4 . HA 1 1 14 1 2 1 1 7 LEU H . 7 . HN 1 1 15 1 1 1 1 4 LEU HA . 4 . HA 1 1 15 1 2 1 1 7 LEU QB . 7 . HB+ 1 1 16 1 1 1 1 4 LEU QB . 4 . HB+ 1 1 16 1 2 1 1 5 GLU H . 5 . HN 1 1 17 1 1 1 1 5 GLU H . 5 . HN 1 1 17 1 2 1 1 5 GLU HA . 5 . HA 1 1 18 1 1 1 1 5 GLU H . 5 . HN 1 1 18 1 2 1 1 5 GLU HB2 . 5 . HB2 1 1 19 1 1 1 1 5 GLU H . 5 . HN 1 1 19 1 2 1 1 5 GLU HB3 . 5 . HB1 1 1 20 1 1 1 1 5 GLU H . 5 . HN 1 1 20 1 2 1 1 5 GLU QG . 5 . HG+ 1 1 21 1 1 1 1 5 GLU H . 5 . HN 1 1 21 1 2 1 1 6 LYS H . 6 . HN 1 1 22 1 1 1 1 5 GLU HA . 5 . HA 1 1 22 1 2 1 1 7 LEU H . 7 . HN 1 1 23 1 1 1 1 5 GLU HA . 5 . HA 1 1 23 1 2 1 1 8 MET QB . 8 . HB+ 1 1 24 1 1 1 1 5 GLU HA . 5 . HA 1 1 24 1 2 1 1 9 LYS H . 9 . HN 1 1 25 1 1 1 1 5 GLU HB2 . 5 . HB2 1 1 25 1 2 1 1 6 LYS H . 6 . HN 1 1 26 1 1 1 1 5 GLU HB3 . 5 . HB1 1 1 26 1 2 1 1 6 LYS H . 6 . HN 1 1 27 1 1 1 1 6 LYS H . 6 . HN 1 1 27 1 2 1 1 6 LYS HA . 6 . HA 1 1 28 1 1 1 1 6 LYS H . 6 . HN 1 1 28 1 2 1 1 6 LYS QB . 6 . HB+ 1 1 29 1 1 1 1 6 LYS H . 6 . HN 1 1 29 1 2 1 1 6 LYS QG . 6 . HG+ 1 1 30 1 1 1 1 6 LYS H . 6 . HN 1 1 30 1 2 1 1 7 LEU H . 7 . HN 1 1 31 1 1 1 1 6 LYS QB . 6 . HB+ 1 1 31 1 2 1 1 7 LEU H . 7 . HN 1 1 32 1 1 1 1 6 LYS QB . 6 . HB+ 1 1 32 1 2 1 1 7 LEU HA . 7 . HA 1 1 33 1 1 1 1 7 LEU H . 7 . HN 1 1 33 1 2 1 1 7 LEU HA . 7 . HA 1 1 34 1 1 1 1 7 LEU H . 7 . HN 1 1 34 1 2 1 1 7 LEU QB . 7 . HB+ 1 1 35 1 1 1 1 7 LEU H . 7 . HN 1 1 35 1 2 1 1 7 LEU MD1 . 7 . HD1+ 1 1 36 1 1 1 1 7 LEU H . 7 . HN 1 1 36 1 2 1 1 7 LEU HG . 7 . HG 1 1 37 1 1 1 1 7 LEU H . 7 . HN 1 1 37 1 2 1 1 8 MET H . 8 . HN 1 1 38 1 1 1 1 7 LEU HA . 7 . HA 1 1 38 1 2 1 1 8 MET H . 8 . HN 1 1 39 1 1 1 1 7 LEU HA . 7 . HA 1 1 39 1 2 1 1 10 ALA H . 10 . HN 1 1 40 1 1 1 1 7 LEU HA . 7 . HA 1 1 40 1 2 1 1 10 ALA MB . 10 . HB+ 1 1 41 1 1 1 1 7 LEU QB . 7 . HB+ 1 1 41 1 2 1 1 8 MET H . 8 . HN 1 1 42 1 1 1 1 7 LEU MD1 . 7 . HD1+ 1 1 42 1 2 1 1 11 PHE QE . 11 . HE+ 1 1 43 1 1 1 1 7 LEU HG . 7 . HG 1 1 43 1 2 1 1 8 MET H . 8 . HN 1 1 44 1 1 1 1 7 LEU HG . 7 . HG 1 1 44 1 2 1 1 11 PHE QE . 11 . HE+ 1 1 45 1 1 1 1 8 MET H . 8 . HN 1 1 45 1 2 1 1 8 MET HA . 8 . HA 1 1 46 1 1 1 1 8 MET H . 8 . HN 1 1 46 1 2 1 1 8 MET HG2 . 8 . HG2 1 1 47 1 1 1 1 8 MET H . 8 . HN 1 1 47 1 2 1 1 9 LYS H . 9 . HN 1 1 48 1 1 1 1 8 MET H . 8 . HN 1 1 48 1 2 1 1 9 LYS HD2 . 9 . HD2 1 1 49 1 1 1 1 8 MET HA . 8 . HA 1 1 49 1 2 1 1 9 LYS H . 9 . HN 1 1 50 1 1 1 1 8 MET HA . 8 . HA 1 1 50 1 2 1 1 11 PHE H . 11 . HN 1 1 51 1 1 1 1 8 MET HA . 8 . HA 1 1 51 1 2 1 1 11 PHE QB . 11 . HB+ 1 1 52 1 1 1 1 8 MET HA . 8 . HA 1 1 52 1 2 1 1 12 GLU H . 12 . HN 1 1 53 1 1 1 1 8 MET QB . 8 . HB+ 1 1 53 1 2 1 1 9 LYS H . 9 . HN 1 1 54 1 1 1 1 9 LYS H . 9 . HN 1 1 54 1 2 1 1 9 LYS HA . 9 . HA 1 1 55 1 1 1 1 9 LYS H . 9 . HN 1 1 55 1 2 1 1 9 LYS HB2 . 9 . HB2 1 1 56 1 1 1 1 9 LYS H . 9 . HN 1 1 56 1 2 1 1 9 LYS HB3 . 9 . HB1 1 1 57 1 1 1 1 9 LYS H . 9 . HN 1 1 57 1 2 1 1 9 LYS QD . 9 . HD+ 1 1 58 1 1 1 1 9 LYS H . 9 . HN 1 1 58 1 2 1 1 9 LYS QG . 9 . HG+ 1 1 59 1 1 1 1 9 LYS H . 9 . HN 1 1 59 1 2 1 1 10 ALA H . 10 . HN 1 1 60 1 1 1 1 9 LYS HA . 9 . HA 1 1 60 1 2 1 1 12 GLU HB2 . 12 . HB2 1 1 61 1 1 1 1 9 LYS HA . 9 . HA 1 1 61 1 2 1 1 12 GLU HB3 . 12 . HB1 1 1 62 1 1 1 1 9 LYS HA . 9 . HA 1 1 62 1 2 1 1 13 SER H . 13 . HN 1 1 63 1 1 1 1 9 LYS HB2 . 9 . HB2 1 1 63 1 2 1 1 10 ALA H . 10 . HN 1 1 64 1 1 1 1 9 LYS HB3 . 9 . HB1 1 1 64 1 2 1 1 10 ALA H . 10 . HN 1 1 65 1 1 1 1 10 ALA H . 10 . HN 1 1 65 1 2 1 1 10 ALA HA . 10 . HA 1 1 66 1 1 1 1 10 ALA H . 10 . HN 1 1 66 1 2 1 1 10 ALA MB . 10 . HB+ 1 1 67 1 1 1 1 10 ALA H . 10 . HN 1 1 67 1 2 1 1 11 PHE H . 11 . HN 1 1 68 1 1 1 1 10 ALA H . 10 . HN 1 1 68 1 2 1 1 12 GLU H . 12 . HN 1 1 69 1 1 1 1 10 ALA HA . 10 . HA 1 1 69 1 2 1 1 11 PHE H . 11 . HN 1 1 70 1 1 1 1 10 ALA HA . 10 . HA 1 1 70 1 2 1 1 12 GLU H . 12 . HN 1 1 71 1 1 1 1 10 ALA HA . 10 . HA 1 1 71 1 2 1 1 14 LEU H . 14 . HN 1 1 72 1 1 1 1 10 ALA MB . 10 . HB+ 1 1 72 1 2 1 1 11 PHE H . 11 . HN 1 1 73 1 1 1 1 10 ALA MB . 10 . HB+ 1 1 73 1 2 1 1 11 PHE QE . 11 . HE+ 1 1 74 1 1 1 1 10 ALA MB . 10 . HB+ 1 1 74 1 2 1 1 12 GLU H . 12 . HN 1 1 75 1 1 1 1 11 PHE H . 11 . HN 1 1 75 1 2 1 1 11 PHE QB . 11 . HB+ 1 1 76 1 1 1 1 11 PHE H . 11 . HN 1 1 76 1 2 1 1 12 GLU H . 12 . HN 1 1 77 1 1 1 1 11 PHE HA . 11 . HA 1 1 77 1 2 1 1 13 SER H . 13 . HN 1 1 78 1 1 1 1 12 GLU H . 12 . HN 1 1 78 1 2 1 1 12 GLU QB . 12 . HB+ 1 1 79 1 1 1 1 12 GLU H . 12 . HN 1 1 79 1 2 1 1 13 SER H . 13 . HN 1 1 80 1 1 1 1 12 GLU HA . 12 . HA 1 1 80 1 2 1 1 14 LEU H . 14 . HN 1 1 81 1 1 1 1 12 GLU HA . 12 . HA 1 1 81 1 2 1 1 15 LYS H . 15 . HN 1 1 82 1 1 1 1 12 GLU QB . 12 . HB+ 1 1 82 1 2 1 1 13 SER H . 13 . HN 1 1 83 1 1 1 1 12 GLU HB2 . 12 . HB2 1 1 83 1 2 1 1 14 LEU H . 14 . HN 1 1 84 1 1 1 1 12 GLU HB3 . 12 . HB1 1 1 84 1 2 1 1 14 LEU H . 14 . HN 1 1 85 1 1 1 1 12 GLU HG2 . 12 . HG2 1 1 85 1 2 1 1 13 SER H . 13 . HN 1 1 86 1 1 1 1 12 GLU HG3 . 12 . HG1 1 1 86 1 2 1 1 13 SER H . 13 . HN 1 1 87 1 1 1 1 13 SER H . 13 . HN 1 1 87 1 2 1 1 13 SER HA . 13 . HA 1 1 88 1 1 1 1 13 SER H . 13 . HN 1 1 88 1 2 1 1 14 LEU H . 14 . HN 1 1 89 1 1 1 1 13 SER HA . 13 . HA 1 1 89 1 2 1 1 14 LEU H . 14 . HN 1 1 90 1 1 1 1 13 SER HA . 13 . HA 1 1 90 1 2 1 1 15 LYS H . 15 . HN 1 1 91 1 1 1 1 13 SER HA . 13 . HA 1 1 91 1 2 1 1 17 PHE QD . 17 . HD+ 1 1 92 1 1 1 1 14 LEU H . 14 . HN 1 1 92 1 2 1 1 14 LEU HA . 14 . HA 1 1 93 1 1 1 1 14 LEU HA . 14 . HA 1 1 93 1 2 1 1 15 LYS H . 15 . HN 1 1 94 1 1 1 1 15 LYS H . 15 . HN 1 1 94 1 2 1 1 15 LYS QB . 15 . HB+ 1 1 95 1 1 1 1 15 LYS H . 15 . HN 1 1 95 1 2 1 1 15 LYS QD . 15 . HD+ 1 1 96 1 1 1 1 15 LYS H . 15 . HN 1 1 96 1 2 1 1 15 LYS QG . 15 . HG+ 1 1 97 1 1 1 1 15 LYS H . 15 . HN 1 1 97 1 2 1 1 16 SER H . 16 . HN 1 1 98 1 1 1 1 15 LYS HA . 15 . HA 1 1 98 1 2 1 1 17 PHE H . 17 . HN 1 1 99 1 1 1 1 15 LYS HA . 15 . HA 1 1 99 1 2 1 1 17 PHE QE . 17 . HE+ 1 1 100 1 1 1 1 15 LYS HB3 . 15 . HB1 1 1 100 1 2 1 1 16 SER H . 16 . HN 1 1 101 1 1 1 1 15 LYS HB3 . 15 . HB1 1 1 101 1 2 1 1 17 PHE H . 17 . HN 1 1 102 1 1 1 1 15 LYS QG . 15 . HG+ 1 1 102 1 2 1 1 17 PHE QE . 17 . HE+ 1 1 103 1 1 1 1 16 SER H . 16 . HN 1 1 103 1 2 1 1 16 SER HA . 16 . HA 1 1 104 1 1 1 1 16 SER H . 16 . HN 1 1 104 1 2 1 1 17 PHE H . 17 . HN 1 1 105 1 1 1 1 16 SER HA . 16 . HA 1 1 105 1 2 1 1 17 PHE H . 17 . HN 1 1 106 1 1 1 1 16 SER QB . 16 . HB+ 1 1 106 1 2 1 1 17 PHE H . 17 . HN 1 1 107 1 1 1 1 17 PHE H . 17 . HN 1 1 107 1 2 1 1 17 PHE HA . 17 . HA 1 1 108 1 1 1 1 17 PHE H . 17 . HN 1 1 108 1 2 1 1 17 PHE HB3 . 17 . HB1 1 1 109 1 1 1 1 17 PHE H . 17 . HN 1 1 109 1 2 1 1 17 PHE QD . 17 . HD+ 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 . . . . . 5.0 0.0 5.0 1 1 2 1 . . . . . 5.0 0.0 5.0 1 1 3 1 . . . . . 5.0 0.0 5.0 1 1 4 1 . . . . . 2.8 0.0 2.8 1 1 5 1 . . . . . 5.0 0.0 5.0 1 1 6 1 . . . . . 5.0 0.0 5.0 1 1 7 1 . . . . . 2.8 0.0 2.8 1 1 8 1 . . . . . 2.8 0.0 2.8 1 1 9 1 . . . . . 5.0 0.0 5.0 1 1 10 1 . . . . . 5.0 0.0 5.0 1 1 11 1 . . . . . 2.8 0.0 2.8 1 1 12 1 . . . . . 5.0 0.0 5.0 1 1 13 1 . . . . . 5.0 0.0 5.0 1 1 14 1 . . . . . 3.4 0.0 3.4 1 1 15 1 . . . . . 3.4 0.0 3.4 1 1 16 1 . . . . . 3.4 0.0 3.4 1 1 17 1 . . . . . 2.8 0.0 2.8 1 1 18 1 . . . . . 2.8 0.0 2.8 1 1 19 1 . . . . . 3.4 0.0 3.4 1 1 20 1 . . . . . 5.0 0.0 5.0 1 1 21 1 . . . . . 3.4 0.0 3.4 1 1 22 1 . . . . . 3.4 0.0 3.4 1 1 23 1 . . . . . 2.8 0.0 2.8 1 1 24 1 . . . . . 3.4 0.0 3.4 1 1 25 1 . . . . . 5.0 0.0 5.0 1 1 26 1 . . . . . 5.0 0.0 5.0 1 1 27 1 . . . . . 2.8 0.0 2.8 1 1 28 1 . . . . . 2.8 0.0 2.8 1 1 29 1 . . . . . 5.0 0.0 5.0 1 1 30 1 . . . . . 2.8 0.0 2.8 1 1 31 1 . . . . . 3.4 0.0 3.4 1 1 32 1 . . . . . 5.0 0.0 5.0 1 1 33 1 . . . . . 2.8 0.0 2.8 1 1 34 1 . . . . . 2.8 0.0 2.8 1 1 35 1 . . . . . 5.0 0.0 5.0 1 1 36 1 . . . . . 2.8 0.0 2.8 1 1 37 1 . . . . . 2.8 0.0 2.8 1 1 38 1 . . . . . 5.0 0.0 5.0 1 1 39 1 . . . . . 5.0 0.0 5.0 1 1 40 1 . . . . . 5.0 0.0 5.0 1 1 41 1 . . . . . 5.0 0.0 5.0 1 1 42 1 . . . . . 5.0 0.0 5.0 1 1 43 1 . . . . . 3.4 0.0 3.4 1 1 44 1 . . . . . 5.0 0.0 5.0 1 1 45 1 . . . . . 2.8 0.0 2.8 1 1 46 1 . . . . . 5.0 0.0 5.0 1 1 47 1 . . . . . 2.8 0.0 2.8 1 1 48 1 . . . . . 5.0 0.0 5.0 1 1 49 1 . . . . . 5.0 0.0 5.0 1 1 50 1 . . . . . 5.0 0.0 5.0 1 1 51 1 . . . . . 5.0 0.0 5.0 1 1 52 1 . . . . . 5.0 0.0 5.0 1 1 53 1 . . . . . 3.4 0.0 3.4 1 1 54 1 . . . . . 2.8 0.0 2.8 1 1 55 1 . . . . . 2.8 0.0 2.8 1 1 56 1 . . . . . 3.4 0.0 3.4 1 1 57 1 . . . . . 5.0 0.0 5.0 1 1 58 1 . . . . . 5.0 0.0 5.0 1 1 59 1 . . . . . 2.8 0.0 2.8 1 1 60 1 . . . . . 5.0 0.0 5.0 1 1 61 1 . . . . . 5.0 0.0 5.0 1 1 62 1 . . . . . 3.4 0.0 3.4 1 1 63 1 . . . . . 5.0 0.0 5.0 1 1 64 1 . . . . . 5.0 0.0 5.0 1 1 65 1 . . . . . 2.8 0.0 2.8 1 1 66 1 . . . . . 2.8 0.0 2.8 1 1 67 1 . . . . . 3.4 0.0 3.4 1 1 68 1 . . . . . 5.0 0.0 5.0 1 1 69 1 . . . . . 5.0 0.0 5.0 1 1 70 1 . . . . . 5.0 0.0 5.0 1 1 71 1 . . . . . 2.8 0.0 2.8 1 1 72 1 . . . . . 5.0 0.0 5.0 1 1 73 1 . . . . . 5.0 0.0 5.0 1 1 74 1 . . . . . 5.0 0.0 5.0 1 1 75 1 . . . . . 2.8 0.0 2.8 1 1 76 1 . . . . . 2.8 0.0 2.8 1 1 77 1 . . . . . 5.0 0.0 5.0 1 1 78 1 . . . . . 2.8 0.0 2.8 1 1 79 1 . . . . . 2.8 0.0 2.8 1 1 80 1 . . . . . 5.0 0.0 5.0 1 1 81 1 . . . . . 5.0 0.0 5.0 1 1 82 1 . . . . . 2.8 0.0 2.8 1 1 83 1 . . . . . 5.0 0.0 5.0 1 1 84 1 . . . . . 5.0 0.0 5.0 1 1 85 1 . . . . . 5.0 0.0 5.0 1 1 86 1 . . . . . 5.0 0.0 5.0 1 1 87 1 . . . . . 2.8 0.0 2.8 1 1 88 1 . . . . . 3.4 0.0 3.4 1 1 89 1 . . . . . 3.4 0.0 3.4 1 1 90 1 . . . . . 5.0 0.0 5.0 1 1 91 1 . . . . . 5.0 0.0 5.0 1 1 92 1 . . . . . 2.8 0.0 2.8 1 1 93 1 . . . . . 5.0 0.0 5.0 1 1 94 1 . . . . . 2.8 0.0 2.8 1 1 95 1 . . . . . 5.0 0.0 5.0 1 1 96 1 . . . . . 5.0 0.0 5.0 1 1 97 1 . . . . . 2.8 0.0 2.8 1 1 98 1 . . . . . 5.0 0.0 5.0 1 1 99 1 . . . . . 5.0 0.0 5.0 1 1 100 1 . . . . . 2.8 0.0 2.8 1 1 101 1 . . . . . 5.0 0.0 5.0 1 1 102 1 . . . . . 5.0 0.0 5.0 1 1 103 1 . . . . . 2.8 0.0 2.8 1 1 104 1 . . . . . 3.4 0.0 3.4 1 1 105 1 . . . . . 3.4 0.0 3.4 1 1 106 1 . . . . . 3.4 0.0 3.4 1 1 107 1 . . . . . 2.8 0.0 2.8 1 1 108 1 . . . . . 3.4 0.0 3.4 1 1 109 1 . . . . . 5.0 0.0 5.0 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 MET C C -13.098 -1.769 2.905 1.00 . A A . 1 MET C 1 1 1 2 1 1 1 MET CA C -13.565 -3.123 3.444 1.00 . A A . 1 MET CA 1 1 1 3 1 1 1 MET CB C -12.651 -4.248 2.950 1.00 . A A . 1 MET CB 1 1 1 4 1 1 1 MET CE C -14.588 -4.615 -0.503 1.00 . A A . 1 MET CE 1 1 1 5 1 1 1 MET CG C -12.695 -4.320 1.421 1.00 . A A . 1 MET CG 1 1 1 6 1 1 1 MET H1 H -14.940 -3.267 1.884 1.00 . A A . 1 MET H1 1 1 1 7 1 1 1 MET H2 H -15.632 -2.864 3.383 1.00 . A A . 1 MET H2 1 1 1 8 1 1 1 MET H3 H -15.125 -4.457 3.079 1.00 . A A . 1 MET H3 1 1 1 9 1 1 1 MET HA H -13.583 -3.112 4.522 1.00 . A A . 1 MET HA 1 1 1 10 1 1 1 MET HB2 H -11.638 -4.053 3.271 1.00 . A A . 1 MET HB2 1 1 1 11 1 1 1 MET HB3 H -12.983 -5.189 3.363 1.00 . A A . 1 MET HB3 1 1 1 12 1 1 1 MET HE1 H -14.740 -5.288 -1.334 1.00 . A A . 1 MET HE1 1 1 1 13 1 1 1 MET HE2 H -13.886 -3.841 -0.781 1.00 . A A . 1 MET HE2 1 1 1 14 1 1 1 MET HE3 H -15.528 -4.164 -0.231 1.00 . A A . 1 MET HE3 1 1 1 15 1 1 1 MET HG2 H -12.958 -3.353 1.020 1.00 . A A . 1 MET HG2 1 1 1 16 1 1 1 MET HG3 H -11.725 -4.613 1.046 1.00 . A A . 1 MET HG3 1 1 1 17 1 1 1 MET N N -14.918 -3.453 2.908 1.00 . A A . 1 MET N 1 1 1 18 1 1 1 MET O O -13.538 -1.320 1.864 1.00 . A A . 1 MET O 1 1 1 19 1 1 1 MET SD S -13.931 -5.541 0.907 1.00 . A A . 1 MET SD 1 1 1 20 1 1 2 ALA C C -10.258 0.413 3.566 1.00 . A A . 2 ALA C 1 1 1 21 1 1 2 ALA CA C -11.712 0.209 3.134 1.00 . A A . 2 ALA CA 1 1 1 22 1 1 2 ALA CB C -12.621 1.236 3.810 1.00 . A A . 2 ALA CB 1 1 1 23 1 1 2 ALA H H -11.868 -1.498 4.441 1.00 . A A . 2 ALA H 1 1 1 24 1 1 2 ALA HA H -11.802 0.287 2.062 1.00 . A A . 2 ALA HA 1 1 1 25 1 1 2 ALA HB1 H -12.709 2.108 3.179 1.00 . A A . 2 ALA HB1 1 1 1 26 1 1 2 ALA HB2 H -12.196 1.521 4.762 1.00 . A A . 2 ALA HB2 1 1 1 27 1 1 2 ALA HB3 H -13.598 0.804 3.966 1.00 . A A . 2 ALA HB3 1 1 1 28 1 1 2 ALA N N -12.209 -1.116 3.605 1.00 . A A . 2 ALA N 1 1 1 29 1 1 2 ALA O O -9.984 0.911 4.641 1.00 . A A . 2 ALA O 1 1 1 30 1 1 3 THR C C -7.008 -0.031 1.867 1.00 . A A . 3 THR C 1 1 1 31 1 1 3 THR CA C -7.886 0.202 3.094 1.00 . A A . 3 THR CA 1 1 1 32 1 1 3 THR CB C -7.616 -0.855 4.168 1.00 . A A . 3 THR CB 1 1 1 33 1 1 3 THR CG2 C -7.922 -2.247 3.613 1.00 . A A . 3 THR CG2 1 1 1 34 1 1 3 THR H H -9.571 -0.366 1.875 1.00 . A A . 3 THR H 1 1 1 35 1 1 3 THR HA H -7.713 1.187 3.492 1.00 . A A . 3 THR HA 1 1 1 36 1 1 3 THR HB H -8.247 -0.667 5.024 1.00 . A A . 3 THR HB 1 1 1 37 1 1 3 THR HG1 H -6.197 -0.232 5.343 1.00 . A A . 3 THR HG1 1 1 1 38 1 1 3 THR HG21 H -8.978 -2.328 3.403 1.00 . A A . 3 THR HG21 1 1 1 39 1 1 3 THR HG22 H -7.642 -2.994 4.342 1.00 . A A . 3 THR HG22 1 1 1 40 1 1 3 THR HG23 H -7.360 -2.404 2.703 1.00 . A A . 3 THR HG23 1 1 1 41 1 1 3 THR N N -9.326 0.032 2.735 1.00 . A A . 3 THR N 1 1 1 42 1 1 3 THR O O -5.963 -0.646 1.945 1.00 . A A . 3 THR O 1 1 1 43 1 1 3 THR OG1 O -6.253 -0.788 4.562 1.00 . A A . 3 THR OG1 1 1 1 44 1 1 4 LEU C C -5.285 0.987 -0.392 1.00 . A A . 4 LEU C 1 1 1 45 1 1 4 LEU CA C -6.629 0.269 -0.504 1.00 . A A . 4 LEU CA 1 1 1 46 1 1 4 LEU CB C -7.485 0.858 -1.630 1.00 . A A . 4 LEU CB 1 1 1 47 1 1 4 LEU CD1 C -6.901 3.254 -2.067 1.00 . A A . 4 LEU CD1 1 1 1 48 1 1 4 LEU CD2 C -9.288 2.579 -1.816 1.00 . A A . 4 LEU CD2 1 1 1 49 1 1 4 LEU CG C -7.860 2.315 -1.333 1.00 . A A . 4 LEU CG 1 1 1 50 1 1 4 LEU H H -8.274 0.944 0.696 1.00 . A A . 4 LEU H 1 1 1 51 1 1 4 LEU HA H -6.470 -0.781 -0.678 1.00 . A A . 4 LEU HA 1 1 1 52 1 1 4 LEU HB2 H -6.931 0.818 -2.551 1.00 . A A . 4 LEU HB2 1 1 1 53 1 1 4 LEU HB3 H -8.387 0.276 -1.725 1.00 . A A . 4 LEU HB3 1 1 1 54 1 1 4 LEU HD11 H -7.289 3.467 -3.052 1.00 . A A . 4 LEU HD11 1 1 1 55 1 1 4 LEU HD12 H -5.933 2.782 -2.157 1.00 . A A . 4 LEU HD12 1 1 1 56 1 1 4 LEU HD13 H -6.803 4.175 -1.511 1.00 . A A . 4 LEU HD13 1 1 1 57 1 1 4 LEU HD21 H -9.467 3.643 -1.849 1.00 . A A . 4 LEU HD21 1 1 1 58 1 1 4 LEU HD22 H -9.989 2.116 -1.137 1.00 . A A . 4 LEU HD22 1 1 1 59 1 1 4 LEU HD23 H -9.417 2.161 -2.804 1.00 . A A . 4 LEU HD23 1 1 1 60 1 1 4 LEU HG H -7.801 2.498 -0.271 1.00 . A A . 4 LEU HG 1 1 1 61 1 1 4 LEU N N -7.429 0.457 0.733 1.00 . A A . 4 LEU N 1 1 1 62 1 1 4 LEU O O -4.248 0.415 -0.659 1.00 . A A . 4 LEU O 1 1 1 63 1 1 5 GLU C C -3.117 2.245 1.162 1.00 . A A . 5 GLU C 1 1 1 64 1 1 5 GLU CA C -3.993 2.957 0.140 1.00 . A A . 5 GLU CA 1 1 1 65 1 1 5 GLU CB C -4.359 4.363 0.615 1.00 . A A . 5 GLU CB 1 1 1 66 1 1 5 GLU CD C -3.777 6.344 -0.802 1.00 . A A . 5 GLU CD 1 1 1 67 1 1 5 GLU CG C -3.246 5.343 0.227 1.00 . A A . 5 GLU CG 1 1 1 68 1 1 5 GLU H H -6.124 2.672 0.227 1.00 . A A . 5 GLU H 1 1 1 69 1 1 5 GLU HA H -3.492 2.996 -0.809 1.00 . A A . 5 GLU HA 1 1 1 70 1 1 5 GLU HB2 H -5.287 4.669 0.153 1.00 . A A . 5 GLU HB2 1 1 1 71 1 1 5 GLU HB3 H -4.475 4.362 1.688 1.00 . A A . 5 GLU HB3 1 1 1 72 1 1 5 GLU HG2 H -2.913 5.875 1.107 1.00 . A A . 5 GLU HG2 1 1 1 73 1 1 5 GLU HG3 H -2.417 4.799 -0.199 1.00 . A A . 5 GLU HG3 1 1 1 74 1 1 5 GLU N N -5.285 2.227 0.009 1.00 . A A . 5 GLU N 1 1 1 75 1 1 5 GLU O O -1.920 2.118 0.990 1.00 . A A . 5 GLU O 1 1 1 76 1 1 5 GLU OE1 O -4.327 7.352 -0.391 1.00 . A A . 5 GLU OE1 1 1 1 77 1 1 5 GLU OE2 O -3.625 6.085 -1.985 1.00 . A A . 5 GLU OE2 1 1 1 78 1 1 6 LYS C C -2.335 -0.251 2.578 1.00 . A A . 6 LYS C 1 1 1 79 1 1 6 LYS CA C -2.922 1.008 3.223 1.00 . A A . 6 LYS CA 1 1 1 80 1 1 6 LYS CB C -3.920 0.637 4.324 1.00 . A A . 6 LYS CB 1 1 1 81 1 1 6 LYS CD C -2.881 -0.196 6.448 1.00 . A A . 6 LYS CD 1 1 1 82 1 1 6 LYS CE C -3.504 -0.221 7.847 1.00 . A A . 6 LYS CE 1 1 1 83 1 1 6 LYS CG C -3.364 1.047 5.692 1.00 . A A . 6 LYS CG 1 1 1 84 1 1 6 LYS H H -4.680 1.840 2.313 1.00 . A A . 6 LYS H 1 1 1 85 1 1 6 LYS HA H -2.141 1.633 3.621 1.00 . A A . 6 LYS HA 1 1 1 86 1 1 6 LYS HB2 H -4.855 1.149 4.148 1.00 . A A . 6 LYS HB2 1 1 1 87 1 1 6 LYS HB3 H -4.088 -0.430 4.310 1.00 . A A . 6 LYS HB3 1 1 1 88 1 1 6 LYS HD2 H -3.173 -1.085 5.908 1.00 . A A . 6 LYS HD2 1 1 1 89 1 1 6 LYS HD3 H -1.805 -0.167 6.538 1.00 . A A . 6 LYS HD3 1 1 1 90 1 1 6 LYS HE2 H -3.067 0.552 8.465 1.00 . A A . 6 LYS HE2 1 1 1 91 1 1 6 LYS HE3 H -4.574 -0.097 7.785 1.00 . A A . 6 LYS HE3 1 1 1 92 1 1 6 LYS HG2 H -2.536 1.728 5.554 1.00 . A A . 6 LYS HG2 1 1 1 93 1 1 6 LYS HG3 H -4.139 1.535 6.263 1.00 . A A . 6 LYS HG3 1 1 1 94 1 1 6 LYS HZ1 H -3.690 -1.718 9.281 1.00 . A A . 6 LYS HZ1 1 1 1 95 1 1 6 LYS HZ2 H -2.155 -1.636 8.564 1.00 . A A . 6 LYS HZ2 1 1 1 96 1 1 6 LYS HZ3 H -3.460 -2.297 7.701 1.00 . A A . 6 LYS HZ3 1 1 1 97 1 1 6 LYS N N -3.712 1.748 2.209 1.00 . A A . 6 LYS N 1 1 1 98 1 1 6 LYS NZ N -3.178 -1.569 8.389 1.00 . A A . 6 LYS NZ 1 1 1 99 1 1 6 LYS O O -1.457 -0.890 3.126 1.00 . A A . 6 LYS O 1 1 1 100 1 1 7 LEU C C -1.273 -1.413 -0.346 1.00 . A A . 7 LEU C 1 1 1 101 1 1 7 LEU CA C -2.290 -1.822 0.730 1.00 . A A . 7 LEU CA 1 1 1 102 1 1 7 LEU CB C -3.538 -2.505 0.133 1.00 . A A . 7 LEU CB 1 1 1 103 1 1 7 LEU CD1 C -2.753 -3.296 -2.106 1.00 . A A . 7 LEU CD1 1 1 1 104 1 1 7 LEU CD2 C -5.084 -2.437 -1.835 1.00 . A A . 7 LEU CD2 1 1 1 105 1 1 7 LEU CG C -3.629 -2.274 -1.380 1.00 . A A . 7 LEU CG 1 1 1 106 1 1 7 LEU H H -3.522 -0.090 0.980 1.00 . A A . 7 LEU H 1 1 1 107 1 1 7 LEU HA H -1.830 -2.470 1.450 1.00 . A A . 7 LEU HA 1 1 1 108 1 1 7 LEU HB2 H -3.488 -3.565 0.327 1.00 . A A . 7 LEU HB2 1 1 1 109 1 1 7 LEU HB3 H -4.421 -2.100 0.606 1.00 . A A . 7 LEU HB3 1 1 1 110 1 1 7 LEU HD11 H -3.361 -4.130 -2.423 1.00 . A A . 7 LEU HD11 1 1 1 111 1 1 7 LEU HD12 H -1.979 -3.645 -1.441 1.00 . A A . 7 LEU HD12 1 1 1 112 1 1 7 LEU HD13 H -2.301 -2.831 -2.972 1.00 . A A . 7 LEU HD13 1 1 1 113 1 1 7 LEU HD21 H -5.156 -3.263 -2.529 1.00 . A A . 7 LEU HD21 1 1 1 114 1 1 7 LEU HD22 H -5.412 -1.530 -2.322 1.00 . A A . 7 LEU HD22 1 1 1 115 1 1 7 LEU HD23 H -5.712 -2.632 -0.978 1.00 . A A . 7 LEU HD23 1 1 1 116 1 1 7 LEU HG H -3.288 -1.278 -1.613 1.00 . A A . 7 LEU HG 1 1 1 117 1 1 7 LEU N N -2.815 -0.614 1.410 1.00 . A A . 7 LEU N 1 1 1 118 1 1 7 LEU O O -0.382 -2.163 -0.692 1.00 . A A . 7 LEU O 1 1 1 119 1 1 8 MET C C 0.759 0.900 -1.278 1.00 . A A . 8 MET C 1 1 1 120 1 1 8 MET CA C -0.464 0.248 -1.922 1.00 . A A . 8 MET CA 1 1 1 121 1 1 8 MET CB C -1.256 1.272 -2.736 1.00 . A A . 8 MET CB 1 1 1 122 1 1 8 MET CE C -2.357 0.819 -6.520 1.00 . A A . 8 MET CE 1 1 1 123 1 1 8 MET CG C -0.936 1.104 -4.222 1.00 . A A . 8 MET CG 1 1 1 124 1 1 8 MET H H -2.131 0.359 -0.582 1.00 . A A . 8 MET H 1 1 1 125 1 1 8 MET HA H -0.166 -0.570 -2.548 1.00 . A A . 8 MET HA 1 1 1 126 1 1 8 MET HB2 H -2.313 1.119 -2.574 1.00 . A A . 8 MET HB2 1 1 1 127 1 1 8 MET HB3 H -0.985 2.270 -2.422 1.00 . A A . 8 MET HB3 1 1 1 128 1 1 8 MET HE1 H -1.581 0.069 -6.448 1.00 . A A . 8 MET HE1 1 1 1 129 1 1 8 MET HE2 H -2.304 1.311 -7.481 1.00 . A A . 8 MET HE2 1 1 1 130 1 1 8 MET HE3 H -3.321 0.347 -6.412 1.00 . A A . 8 MET HE3 1 1 1 131 1 1 8 MET HG2 H 0.060 1.470 -4.420 1.00 . A A . 8 MET HG2 1 1 1 132 1 1 8 MET HG3 H -0.995 0.059 -4.487 1.00 . A A . 8 MET HG3 1 1 1 133 1 1 8 MET N N -1.408 -0.223 -0.874 1.00 . A A . 8 MET N 1 1 1 134 1 1 8 MET O O 1.882 0.656 -1.671 1.00 . A A . 8 MET O 1 1 1 135 1 1 8 MET SD S -2.131 2.043 -5.206 1.00 . A A . 8 MET SD 1 1 1 136 1 1 9 LYS C C 2.728 1.339 0.831 1.00 . A A . 9 LYS C 1 1 1 137 1 1 9 LYS CA C 1.707 2.391 0.387 1.00 . A A . 9 LYS CA 1 1 1 138 1 1 9 LYS CB C 1.110 3.110 1.602 1.00 . A A . 9 LYS CB 1 1 1 139 1 1 9 LYS CD C 0.648 5.296 0.472 1.00 . A A . 9 LYS CD 1 1 1 140 1 1 9 LYS CE C 1.565 6.136 -0.420 1.00 . A A . 9 LYS CE 1 1 1 141 1 1 9 LYS CG C 1.481 4.594 1.551 1.00 . A A . 9 LYS CG 1 1 1 142 1 1 9 LYS H H -0.365 1.908 0.017 1.00 . A A . 9 LYS H 1 1 1 143 1 1 9 LYS HA H 2.166 3.106 -0.276 1.00 . A A . 9 LYS HA 1 1 1 144 1 1 9 LYS HB2 H 0.035 3.006 1.591 1.00 . A A . 9 LYS HB2 1 1 1 145 1 1 9 LYS HB3 H 1.504 2.674 2.508 1.00 . A A . 9 LYS HB3 1 1 1 146 1 1 9 LYS HD2 H 0.139 4.556 -0.129 1.00 . A A . 9 LYS HD2 1 1 1 147 1 1 9 LYS HD3 H -0.080 5.940 0.943 1.00 . A A . 9 LYS HD3 1 1 1 148 1 1 9 LYS HE2 H 2.280 6.680 0.183 1.00 . A A . 9 LYS HE2 1 1 1 149 1 1 9 LYS HE3 H 2.075 5.508 -1.134 1.00 . A A . 9 LYS HE3 1 1 1 150 1 1 9 LYS HG2 H 1.283 5.047 2.511 1.00 . A A . 9 LYS HG2 1 1 1 151 1 1 9 LYS HG3 H 2.530 4.694 1.316 1.00 . A A . 9 LYS HG3 1 1 1 152 1 1 9 LYS HZ1 H -0.149 6.554 -1.525 1.00 . A A . 9 LYS HZ1 1 1 1 153 1 1 9 LYS HZ2 H 1.173 7.548 -1.898 1.00 . A A . 9 LYS HZ2 1 1 1 154 1 1 9 LYS HZ3 H 0.307 7.793 -0.456 1.00 . A A . 9 LYS HZ3 1 1 1 155 1 1 9 LYS N N 0.550 1.728 -0.285 1.00 . A A . 9 LYS N 1 1 1 156 1 1 9 LYS NZ N 0.655 7.079 -1.128 1.00 . A A . 9 LYS NZ 1 1 1 157 1 1 9 LYS O O 3.900 1.618 0.966 1.00 . A A . 9 LYS O 1 1 1 158 1 1 10 ALA C C 4.032 -1.448 0.288 1.00 . A A . 10 ALA C 1 1 1 159 1 1 10 ALA CA C 3.224 -0.941 1.483 1.00 . A A . 10 ALA CA 1 1 1 160 1 1 10 ALA CB C 2.332 -2.054 2.030 1.00 . A A . 10 ALA CB 1 1 1 161 1 1 10 ALA H H 1.339 -0.072 0.939 1.00 . A A . 10 ALA H 1 1 1 162 1 1 10 ALA HA H 3.876 -0.578 2.255 1.00 . A A . 10 ALA HA 1 1 1 163 1 1 10 ALA HB1 H 1.599 -1.630 2.700 1.00 . A A . 10 ALA HB1 1 1 1 164 1 1 10 ALA HB2 H 2.938 -2.770 2.563 1.00 . A A . 10 ALA HB2 1 1 1 165 1 1 10 ALA HB3 H 1.829 -2.545 1.211 1.00 . A A . 10 ALA HB3 1 1 1 166 1 1 10 ALA N N 2.287 0.131 1.053 1.00 . A A . 10 ALA N 1 1 1 167 1 1 10 ALA O O 5.140 -1.922 0.433 1.00 . A A . 10 ALA O 1 1 1 168 1 1 11 PHE C C 5.215 -0.771 -2.569 1.00 . A A . 11 PHE C 1 1 1 169 1 1 11 PHE CA C 4.231 -1.839 -2.089 1.00 . A A . 11 PHE CA 1 1 1 170 1 1 11 PHE CB C 3.154 -2.093 -3.146 1.00 . A A . 11 PHE CB 1 1 1 171 1 1 11 PHE CD1 C 2.350 -3.841 -1.480 1.00 . A A . 11 PHE CD1 1 1 1 172 1 1 11 PHE CD2 C 0.931 -3.256 -3.357 1.00 . A A . 11 PHE CD2 1 1 1 173 1 1 11 PHE CE1 C 1.385 -4.752 -1.036 1.00 . A A . 11 PHE CE1 1 1 1 174 1 1 11 PHE CE2 C -0.033 -4.167 -2.912 1.00 . A A . 11 PHE CE2 1 1 1 175 1 1 11 PHE CG C 2.123 -3.089 -2.645 1.00 . A A . 11 PHE CG 1 1 1 176 1 1 11 PHE CZ C 0.194 -4.915 -1.751 1.00 . A A . 11 PHE CZ 1 1 1 177 1 1 11 PHE H H 2.592 -0.976 -0.997 1.00 . A A . 11 PHE H 1 1 1 178 1 1 11 PHE HA H 4.751 -2.752 -1.862 1.00 . A A . 11 PHE HA 1 1 1 179 1 1 11 PHE HB2 H 2.660 -1.159 -3.376 1.00 . A A . 11 PHE HB2 1 1 1 180 1 1 11 PHE HB3 H 3.619 -2.479 -4.039 1.00 . A A . 11 PHE HB3 1 1 1 181 1 1 11 PHE HD1 H 3.268 -3.718 -0.926 1.00 . A A . 11 PHE HD1 1 1 1 182 1 1 11 PHE HD2 H 0.753 -2.679 -4.253 1.00 . A A . 11 PHE HD2 1 1 1 183 1 1 11 PHE HE1 H 1.559 -5.328 -0.138 1.00 . A A . 11 PHE HE1 1 1 1 184 1 1 11 PHE HE2 H -0.952 -4.293 -3.464 1.00 . A A . 11 PHE HE2 1 1 1 185 1 1 11 PHE HZ H -0.551 -5.619 -1.408 1.00 . A A . 11 PHE HZ 1 1 1 186 1 1 11 PHE N N 3.488 -1.357 -0.894 1.00 . A A . 11 PHE N 1 1 1 187 1 1 11 PHE O O 5.965 -0.981 -3.501 1.00 . A A . 11 PHE O 1 1 1 188 1 1 12 GLU C C 6.833 2.098 -1.171 1.00 . A A . 12 GLU C 1 1 1 189 1 1 12 GLU CA C 6.142 1.460 -2.379 1.00 . A A . 12 GLU CA 1 1 1 190 1 1 12 GLU CB C 5.244 2.486 -3.067 1.00 . A A . 12 GLU CB 1 1 1 191 1 1 12 GLU CD C 4.819 3.702 -5.209 1.00 . A A . 12 GLU CD 1 1 1 192 1 1 12 GLU CG C 5.560 2.529 -4.564 1.00 . A A . 12 GLU CG 1 1 1 193 1 1 12 GLU H H 4.589 0.529 -1.202 1.00 . A A . 12 GLU H 1 1 1 194 1 1 12 GLU HA H 6.870 1.079 -3.075 1.00 . A A . 12 GLU HA 1 1 1 195 1 1 12 GLU HB2 H 4.208 2.210 -2.923 1.00 . A A . 12 GLU HB2 1 1 1 196 1 1 12 GLU HB3 H 5.418 3.461 -2.636 1.00 . A A . 12 GLU HB3 1 1 1 197 1 1 12 GLU HG2 H 6.624 2.653 -4.704 1.00 . A A . 12 GLU HG2 1 1 1 198 1 1 12 GLU HG3 H 5.241 1.607 -5.026 1.00 . A A . 12 GLU HG3 1 1 1 199 1 1 12 GLU N N 5.210 0.377 -1.947 1.00 . A A . 12 GLU N 1 1 1 200 1 1 12 GLU O O 7.997 2.445 -1.221 1.00 . A A . 12 GLU O 1 1 1 201 1 1 12 GLU OE1 O 5.323 4.810 -5.131 1.00 . A A . 12 GLU OE1 1 1 1 202 1 1 12 GLU OE2 O 3.760 3.472 -5.770 1.00 . A A . 12 GLU OE2 1 1 1 203 1 1 13 SER C C 7.408 1.879 1.998 1.00 . A A . 13 SER C 1 1 1 204 1 1 13 SER CA C 6.718 2.914 1.108 1.00 . A A . 13 SER CA 1 1 1 205 1 1 13 SER CB C 5.545 3.558 1.845 1.00 . A A . 13 SER CB 1 1 1 206 1 1 13 SER H H 5.180 2.003 -0.087 1.00 . A A . 13 SER H 1 1 1 207 1 1 13 SER HA H 7.415 3.667 0.808 1.00 . A A . 13 SER HA 1 1 1 208 1 1 13 SER HB2 H 4.785 3.843 1.136 1.00 . A A . 13 SER HB2 1 1 1 209 1 1 13 SER HB3 H 5.130 2.848 2.548 1.00 . A A . 13 SER HB3 1 1 1 210 1 1 13 SER HG H 6.746 4.459 3.082 1.00 . A A . 13 SER HG 1 1 1 211 1 1 13 SER N N 6.117 2.275 -0.096 1.00 . A A . 13 SER N 1 1 1 212 1 1 13 SER O O 8.273 2.210 2.786 1.00 . A A . 13 SER O 1 1 1 213 1 1 13 SER OG O 6.001 4.715 2.533 1.00 . A A . 13 SER OG 1 1 1 214 1 1 14 LEU C C 9.194 -0.416 2.525 1.00 . A A . 14 LEU C 1 1 1 215 1 1 14 LEU CA C 7.676 -0.412 2.737 1.00 . A A . 14 LEU CA 1 1 1 216 1 1 14 LEU CB C 7.064 -1.736 2.279 1.00 . A A . 14 LEU CB 1 1 1 217 1 1 14 LEU CD1 C 7.087 -2.861 4.512 1.00 . A A . 14 LEU CD1 1 1 1 218 1 1 14 LEU CD2 C 7.303 -4.217 2.426 1.00 . A A . 14 LEU CD2 1 1 1 219 1 1 14 LEU CG C 7.659 -2.888 3.093 1.00 . A A . 14 LEU CG 1 1 1 220 1 1 14 LEU H H 6.333 0.394 1.247 1.00 . A A . 14 LEU H 1 1 1 221 1 1 14 LEU HA H 7.445 -0.240 3.775 1.00 . A A . 14 LEU HA 1 1 1 222 1 1 14 LEU HB2 H 5.995 -1.706 2.430 1.00 . A A . 14 LEU HB2 1 1 1 223 1 1 14 LEU HB3 H 7.277 -1.889 1.233 1.00 . A A . 14 LEU HB3 1 1 1 224 1 1 14 LEU HD11 H 7.832 -3.217 5.207 1.00 . A A . 14 LEU HD11 1 1 1 225 1 1 14 LEU HD12 H 6.216 -3.498 4.560 1.00 . A A . 14 LEU HD12 1 1 1 226 1 1 14 LEU HD13 H 6.809 -1.850 4.769 1.00 . A A . 14 LEU HD13 1 1 1 227 1 1 14 LEU HD21 H 8.025 -4.438 1.655 1.00 . A A . 14 LEU HD21 1 1 1 228 1 1 14 LEU HD22 H 6.318 -4.147 1.988 1.00 . A A . 14 LEU HD22 1 1 1 229 1 1 14 LEU HD23 H 7.313 -5.006 3.165 1.00 . A A . 14 LEU HD23 1 1 1 230 1 1 14 LEU HG H 8.733 -2.781 3.136 1.00 . A A . 14 LEU HG 1 1 1 231 1 1 14 LEU N N 7.036 0.636 1.886 1.00 . A A . 14 LEU N 1 1 1 232 1 1 14 LEU O O 9.952 -0.074 3.410 1.00 . A A . 14 LEU O 1 1 1 233 1 1 15 LYS C C 11.452 0.018 -0.132 1.00 . A A . 15 LYS C 1 1 1 234 1 1 15 LYS CA C 11.108 -0.836 1.093 1.00 . A A . 15 LYS CA 1 1 1 235 1 1 15 LYS CB C 11.426 -2.307 0.829 1.00 . A A . 15 LYS CB 1 1 1 236 1 1 15 LYS CD C 13.338 -3.745 0.127 1.00 . A A . 15 LYS CD 1 1 1 237 1 1 15 LYS CE C 14.735 -4.214 0.545 1.00 . A A . 15 LYS CE 1 1 1 238 1 1 15 LYS CG C 12.930 -2.539 0.972 1.00 . A A . 15 LYS CG 1 1 1 239 1 1 15 LYS H H 9.011 -1.081 0.662 1.00 . A A . 15 LYS H 1 1 1 240 1 1 15 LYS HA H 11.655 -0.493 1.957 1.00 . A A . 15 LYS HA 1 1 1 241 1 1 15 LYS HB2 H 10.896 -2.922 1.541 1.00 . A A . 15 LYS HB2 1 1 1 242 1 1 15 LYS HB3 H 11.117 -2.567 -0.173 1.00 . A A . 15 LYS HB3 1 1 1 243 1 1 15 LYS HD2 H 12.628 -4.544 0.277 1.00 . A A . 15 LYS HD2 1 1 1 244 1 1 15 LYS HD3 H 13.351 -3.465 -0.916 1.00 . A A . 15 LYS HD3 1 1 1 245 1 1 15 LYS HE2 H 14.859 -4.113 1.615 1.00 . A A . 15 LYS HE2 1 1 1 246 1 1 15 LYS HE3 H 14.895 -5.237 0.241 1.00 . A A . 15 LYS HE3 1 1 1 247 1 1 15 LYS HG2 H 13.464 -1.663 0.635 1.00 . A A . 15 LYS HG2 1 1 1 248 1 1 15 LYS HG3 H 13.168 -2.730 2.008 1.00 . A A . 15 LYS HG3 1 1 1 249 1 1 15 LYS HZ1 H 15.447 -2.324 0.043 1.00 . A A . 15 LYS HZ1 1 1 1 250 1 1 15 LYS HZ2 H 15.587 -3.469 -1.201 1.00 . A A . 15 LYS HZ2 1 1 1 251 1 1 15 LYS HZ3 H 16.651 -3.521 0.123 1.00 . A A . 15 LYS HZ3 1 1 1 252 1 1 15 LYS N N 9.640 -0.805 1.359 1.00 . A A . 15 LYS N 1 1 1 253 1 1 15 LYS NZ N 15.676 -3.314 -0.177 1.00 . A A . 15 LYS NZ 1 1 1 254 1 1 15 LYS O O 12.540 0.550 -0.242 1.00 . A A . 15 LYS O 1 1 1 255 1 1 16 SER C C 11.028 2.433 -1.916 1.00 . A A . 16 SER C 1 1 1 256 1 1 16 SER CA C 10.811 0.959 -2.276 1.00 . A A . 16 SER CA 1 1 1 257 1 1 16 SER CB C 9.565 0.801 -3.146 1.00 . A A . 16 SER CB 1 1 1 258 1 1 16 SER H H 9.671 -0.295 -0.950 1.00 . A A . 16 SER H 1 1 1 259 1 1 16 SER HA H 11.668 0.570 -2.794 1.00 . A A . 16 SER HA 1 1 1 260 1 1 16 SER HB2 H 8.732 0.500 -2.534 1.00 . A A . 16 SER HB2 1 1 1 261 1 1 16 SER HB3 H 9.336 1.747 -3.620 1.00 . A A . 16 SER HB3 1 1 1 262 1 1 16 SER HG H 10.581 0.068 -4.636 1.00 . A A . 16 SER HG 1 1 1 263 1 1 16 SER N N 10.537 0.147 -1.055 1.00 . A A . 16 SER N 1 1 1 264 1 1 16 SER O O 11.507 3.210 -2.719 1.00 . A A . 16 SER O 1 1 1 265 1 1 16 SER OG O 9.804 -0.192 -4.134 1.00 . A A . 16 SER OG 1 1 1 266 1 1 17 PHE C C 12.315 4.694 -0.544 1.00 . A A . 17 PHE C 1 1 1 267 1 1 17 PHE CA C 10.862 4.256 -0.321 1.00 . A A . 17 PHE CA 1 1 1 268 1 1 17 PHE CB C 10.491 4.310 1.168 1.00 . A A . 17 PHE CB 1 1 1 269 1 1 17 PHE CD1 C 12.722 4.224 2.343 1.00 . A A . 17 PHE CD1 1 1 1 270 1 1 17 PHE CD2 C 11.290 2.268 2.421 1.00 . A A . 17 PHE CD2 1 1 1 271 1 1 17 PHE CE1 C 13.680 3.553 3.114 1.00 . A A . 17 PHE CE1 1 1 1 272 1 1 17 PHE CE2 C 12.249 1.598 3.191 1.00 . A A . 17 PHE CE2 1 1 1 273 1 1 17 PHE CG C 11.528 3.582 1.996 1.00 . A A . 17 PHE CG 1 1 1 274 1 1 17 PHE CZ C 13.443 2.240 3.537 1.00 . A A . 17 PHE CZ 1 1 1 275 1 1 17 PHE H H 10.288 2.190 -0.090 1.00 . A A . 17 PHE H 1 1 1 276 1 1 17 PHE HA H 10.193 4.887 -0.885 1.00 . A A . 17 PHE HA 1 1 1 277 1 1 17 PHE HB2 H 10.441 5.341 1.485 1.00 . A A . 17 PHE HB2 1 1 1 278 1 1 17 PHE HB3 H 9.526 3.846 1.313 1.00 . A A . 17 PHE HB3 1 1 1 279 1 1 17 PHE HD1 H 12.907 5.236 2.015 1.00 . A A . 17 PHE HD1 1 1 1 280 1 1 17 PHE HD2 H 10.369 1.773 2.153 1.00 . A A . 17 PHE HD2 1 1 1 281 1 1 17 PHE HE1 H 14.602 4.049 3.380 1.00 . A A . 17 PHE HE1 1 1 1 282 1 1 17 PHE HE2 H 12.066 0.586 3.519 1.00 . A A . 17 PHE HE2 1 1 1 283 1 1 17 PHE HZ H 14.181 1.723 4.132 1.00 . A A . 17 PHE HZ 1 1 1 284 1 1 17 PHE N N 10.677 2.828 -0.721 1.00 . A A . 17 PHE N 1 1 1 285 1 1 17 PHE O O 12.584 5.848 -0.811 1.00 . A A . 17 PHE O 1 1 1 286 1 1 18 NH2 HN1 H 14.202 4.078 -0.584 1.00 . A A . 18 NH2 HN1 1 1 1 287 1 1 18 NH2 HN2 H 13.054 2.878 -0.229 1.00 . A A . 18 NH2 HN2 1 1 1 288 1 1 18 NH2 N N 13.269 3.810 -0.445 1.00 . A A . 18 NH2 N 1 1 2 289 1 1 1 MET C C -12.941 1.454 5.293 1.00 . A A . 1 MET C 1 1 2 290 1 1 1 MET CA C -13.513 2.301 6.433 1.00 . A A . 1 MET CA 1 1 2 291 1 1 1 MET CB C -13.047 3.752 6.309 1.00 . A A . 1 MET CB 1 1 2 292 1 1 1 MET CE C -14.444 7.336 7.350 1.00 . A A . 1 MET CE 1 1 2 293 1 1 1 MET CG C -14.132 4.686 6.846 1.00 . A A . 1 MET CG 1 1 2 294 1 1 1 MET H1 H -11.975 2.097 7.824 1.00 . A A . 1 MET H1 1 1 2 295 1 1 1 MET H2 H -13.068 0.798 7.805 1.00 . A A . 1 MET H2 1 1 2 296 1 1 1 MET H3 H -13.513 2.275 8.517 1.00 . A A . 1 MET H3 1 1 2 297 1 1 1 MET HA H -14.591 2.259 6.430 1.00 . A A . 1 MET HA 1 1 2 298 1 1 1 MET HB2 H -12.139 3.888 6.879 1.00 . A A . 1 MET HB2 1 1 2 299 1 1 1 MET HB3 H -12.858 3.982 5.271 1.00 . A A . 1 MET HB3 1 1 2 300 1 1 1 MET HE1 H -13.524 7.771 7.715 1.00 . A A . 1 MET HE1 1 1 2 301 1 1 1 MET HE2 H -14.913 6.759 8.135 1.00 . A A . 1 MET HE2 1 1 2 302 1 1 1 MET HE3 H -15.111 8.123 7.037 1.00 . A A . 1 MET HE3 1 1 2 303 1 1 1 MET HG2 H -15.101 4.226 6.715 1.00 . A A . 1 MET HG2 1 1 2 304 1 1 1 MET HG3 H -13.961 4.869 7.897 1.00 . A A . 1 MET HG3 1 1 2 305 1 1 1 MET N N -12.977 1.832 7.743 1.00 . A A . 1 MET N 1 1 2 306 1 1 1 MET O O -13.646 0.697 4.655 1.00 . A A . 1 MET O 1 1 2 307 1 1 1 MET SD S -14.081 6.254 5.945 1.00 . A A . 1 MET SD 1 1 2 308 1 1 2 ALA C C -9.520 0.801 4.063 1.00 . A A . 2 ALA C 1 1 2 309 1 1 2 ALA CA C -11.045 0.780 3.935 1.00 . A A . 2 ALA CA 1 1 2 310 1 1 2 ALA CB C -11.484 1.477 2.646 1.00 . A A . 2 ALA CB 1 1 2 311 1 1 2 ALA H H -11.117 2.194 5.561 1.00 . A A . 2 ALA H 1 1 2 312 1 1 2 ALA HA H -11.412 -0.233 3.950 1.00 . A A . 2 ALA HA 1 1 2 313 1 1 2 ALA HB1 H -12.558 1.588 2.645 1.00 . A A . 2 ALA HB1 1 1 2 314 1 1 2 ALA HB2 H -11.183 0.883 1.796 1.00 . A A . 2 ALA HB2 1 1 2 315 1 1 2 ALA HB3 H -11.021 2.451 2.588 1.00 . A A . 2 ALA HB3 1 1 2 316 1 1 2 ALA N N -11.666 1.577 5.034 1.00 . A A . 2 ALA N 1 1 2 317 1 1 2 ALA O O -8.919 1.841 4.255 1.00 . A A . 2 ALA O 1 1 2 318 1 1 3 THR C C -6.774 -0.639 2.705 1.00 . A A . 3 THR C 1 1 2 319 1 1 3 THR CA C -7.403 -0.387 4.075 1.00 . A A . 3 THR CA 1 1 2 320 1 1 3 THR CB C -7.114 -1.551 5.025 1.00 . A A . 3 THR CB 1 1 2 321 1 1 3 THR CG2 C -5.634 -1.548 5.405 1.00 . A A . 3 THR CG2 1 1 2 322 1 1 3 THR H H -9.396 -1.164 3.805 1.00 . A A . 3 THR H 1 1 2 323 1 1 3 THR HA H -7.029 0.533 4.494 1.00 . A A . 3 THR HA 1 1 2 324 1 1 3 THR HB H -7.354 -2.483 4.535 1.00 . A A . 3 THR HB 1 1 2 325 1 1 3 THR HG1 H -7.740 -2.172 6.758 1.00 . A A . 3 THR HG1 1 1 2 326 1 1 3 THR HG21 H -5.321 -0.539 5.629 1.00 . A A . 3 THR HG21 1 1 2 327 1 1 3 THR HG22 H -5.048 -1.931 4.581 1.00 . A A . 3 THR HG22 1 1 2 328 1 1 3 THR HG23 H -5.483 -2.172 6.274 1.00 . A A . 3 THR HG23 1 1 2 329 1 1 3 THR N N -8.890 -0.340 3.960 1.00 . A A . 3 THR N 1 1 2 330 1 1 3 THR O O -5.856 -1.422 2.567 1.00 . A A . 3 THR O 1 1 2 331 1 1 3 THR OG1 O -7.907 -1.412 6.196 1.00 . A A . 3 THR OG1 1 1 2 332 1 1 4 LEU C C -5.399 0.630 0.191 1.00 . A A . 4 LEU C 1 1 2 333 1 1 4 LEU CA C -6.693 -0.169 0.333 1.00 . A A . 4 LEU CA 1 1 2 334 1 1 4 LEU CB C -7.762 0.351 -0.630 1.00 . A A . 4 LEU CB 1 1 2 335 1 1 4 LEU CD1 C -10.191 0.076 -1.145 1.00 . A A . 4 LEU CD1 1 1 2 336 1 1 4 LEU CD2 C -8.582 -1.755 -1.694 1.00 . A A . 4 LEU CD2 1 1 2 337 1 1 4 LEU CG C -8.920 -0.646 -0.695 1.00 . A A . 4 LEU CG 1 1 2 338 1 1 4 LEU H H -7.997 0.650 1.828 1.00 . A A . 4 LEU H 1 1 2 339 1 1 4 LEU HA H -6.507 -1.212 0.154 1.00 . A A . 4 LEU HA 1 1 2 340 1 1 4 LEU HB2 H -8.127 1.306 -0.280 1.00 . A A . 4 LEU HB2 1 1 2 341 1 1 4 LEU HB3 H -7.334 0.467 -1.615 1.00 . A A . 4 LEU HB3 1 1 2 342 1 1 4 LEU HD11 H -9.967 0.702 -1.996 1.00 . A A . 4 LEU HD11 1 1 2 343 1 1 4 LEU HD12 H -10.564 0.687 -0.336 1.00 . A A . 4 LEU HD12 1 1 2 344 1 1 4 LEU HD13 H -10.940 -0.652 -1.421 1.00 . A A . 4 LEU HD13 1 1 2 345 1 1 4 LEU HD21 H -7.555 -2.061 -1.559 1.00 . A A . 4 LEU HD21 1 1 2 346 1 1 4 LEU HD22 H -8.719 -1.386 -2.700 1.00 . A A . 4 LEU HD22 1 1 2 347 1 1 4 LEU HD23 H -9.235 -2.600 -1.529 1.00 . A A . 4 LEU HD23 1 1 2 348 1 1 4 LEU HG H -9.079 -1.076 0.284 1.00 . A A . 4 LEU HG 1 1 2 349 1 1 4 LEU N N -7.261 0.025 1.693 1.00 . A A . 4 LEU N 1 1 2 350 1 1 4 LEU O O -4.367 0.091 -0.153 1.00 . A A . 4 LEU O 1 1 2 351 1 1 5 GLU C C -3.114 2.118 1.241 1.00 . A A . 5 GLU C 1 1 2 352 1 1 5 GLU CA C -4.193 2.721 0.349 1.00 . A A . 5 GLU CA 1 1 2 353 1 1 5 GLU CB C -4.575 4.126 0.820 1.00 . A A . 5 GLU CB 1 1 2 354 1 1 5 GLU CD C -5.938 4.807 -1.160 1.00 . A A . 5 GLU CD 1 1 2 355 1 1 5 GLU CG C -4.647 5.069 -0.383 1.00 . A A . 5 GLU CG 1 1 2 356 1 1 5 GLU H H -6.275 2.328 0.746 1.00 . A A . 5 GLU H 1 1 2 357 1 1 5 GLU HA H -3.855 2.743 -0.672 1.00 . A A . 5 GLU HA 1 1 2 358 1 1 5 GLU HB2 H -5.537 4.092 1.310 1.00 . A A . 5 GLU HB2 1 1 2 359 1 1 5 GLU HB3 H -3.830 4.489 1.513 1.00 . A A . 5 GLU HB3 1 1 2 360 1 1 5 GLU HG2 H -4.634 6.094 -0.040 1.00 . A A . 5 GLU HG2 1 1 2 361 1 1 5 GLU HG3 H -3.800 4.896 -1.029 1.00 . A A . 5 GLU HG3 1 1 2 362 1 1 5 GLU N N -5.437 1.908 0.462 1.00 . A A . 5 GLU N 1 1 2 363 1 1 5 GLU O O -1.949 2.096 0.897 1.00 . A A . 5 GLU O 1 1 2 364 1 1 5 GLU OE1 O -6.104 3.698 -1.640 1.00 . A A . 5 GLU OE1 1 1 2 365 1 1 5 GLU OE2 O -6.740 5.722 -1.263 1.00 . A A . 5 GLU OE2 1 1 2 366 1 1 6 LYS C C -1.912 -0.270 2.559 1.00 . A A . 6 LYS C 1 1 2 367 1 1 6 LYS CA C -2.503 0.954 3.266 1.00 . A A . 6 LYS CA 1 1 2 368 1 1 6 LYS CB C -3.284 0.533 4.515 1.00 . A A . 6 LYS CB 1 1 2 369 1 1 6 LYS CD C -3.902 1.299 6.814 1.00 . A A . 6 LYS CD 1 1 2 370 1 1 6 LYS CE C -3.724 2.466 7.786 1.00 . A A . 6 LYS CE 1 1 2 371 1 1 6 LYS CG C -2.852 1.393 5.705 1.00 . A A . 6 LYS CG 1 1 2 372 1 1 6 LYS H H -4.447 1.599 2.616 1.00 . A A . 6 LYS H 1 1 2 373 1 1 6 LYS HA H -1.728 1.654 3.527 1.00 . A A . 6 LYS HA 1 1 2 374 1 1 6 LYS HB2 H -4.342 0.666 4.340 1.00 . A A . 6 LYS HB2 1 1 2 375 1 1 6 LYS HB3 H -3.084 -0.505 4.732 1.00 . A A . 6 LYS HB3 1 1 2 376 1 1 6 LYS HD2 H -4.891 1.340 6.377 1.00 . A A . 6 LYS HD2 1 1 2 377 1 1 6 LYS HD3 H -3.783 0.367 7.346 1.00 . A A . 6 LYS HD3 1 1 2 378 1 1 6 LYS HE2 H -2.673 2.649 7.964 1.00 . A A . 6 LYS HE2 1 1 2 379 1 1 6 LYS HE3 H -4.202 3.353 7.401 1.00 . A A . 6 LYS HE3 1 1 2 380 1 1 6 LYS HG2 H -1.901 1.038 6.077 1.00 . A A . 6 LYS HG2 1 1 2 381 1 1 6 LYS HG3 H -2.755 2.421 5.390 1.00 . A A . 6 LYS HG3 1 1 2 382 1 1 6 LYS HZ1 H -4.224 2.727 9.789 1.00 . A A . 6 LYS HZ1 1 1 2 383 1 1 6 LYS HZ2 H -4.017 1.106 9.335 1.00 . A A . 6 LYS HZ2 1 1 2 384 1 1 6 LYS HZ3 H -5.421 1.943 8.872 1.00 . A A . 6 LYS HZ3 1 1 2 385 1 1 6 LYS N N -3.501 1.593 2.371 1.00 . A A . 6 LYS N 1 1 2 386 1 1 6 LYS NZ N -4.397 2.028 9.041 1.00 . A A . 6 LYS NZ 1 1 2 387 1 1 6 LYS O O -0.906 -0.814 2.972 1.00 . A A . 6 LYS O 1 1 2 388 1 1 7 LEU C C -1.171 -1.418 -0.442 1.00 . A A . 7 LEU C 1 1 2 389 1 1 7 LEU CA C -2.021 -1.884 0.749 1.00 . A A . 7 LEU CA 1 1 2 390 1 1 7 LEU CB C -3.286 -2.648 0.307 1.00 . A A . 7 LEU CB 1 1 2 391 1 1 7 LEU CD1 C -2.802 -3.338 -2.051 1.00 . A A . 7 LEU CD1 1 1 2 392 1 1 7 LEU CD2 C -5.107 -2.613 -1.409 1.00 . A A . 7 LEU CD2 1 1 2 393 1 1 7 LEU CG C -3.611 -2.384 -1.169 1.00 . A A . 7 LEU CG 1 1 2 394 1 1 7 LEU H H -3.343 -0.255 1.170 1.00 . A A . 7 LEU H 1 1 2 395 1 1 7 LEU HA H -1.436 -2.497 1.406 1.00 . A A . 7 LEU HA 1 1 2 396 1 1 7 LEU HB2 H -3.128 -3.705 0.451 1.00 . A A . 7 LEU HB2 1 1 2 397 1 1 7 LEU HB3 H -4.121 -2.330 0.915 1.00 . A A . 7 LEU HB3 1 1 2 398 1 1 7 LEU HD11 H -2.490 -4.192 -1.467 1.00 . A A . 7 LEU HD11 1 1 2 399 1 1 7 LEU HD12 H -1.932 -2.825 -2.431 1.00 . A A . 7 LEU HD12 1 1 2 400 1 1 7 LEU HD13 H -3.413 -3.671 -2.877 1.00 . A A . 7 LEU HD13 1 1 2 401 1 1 7 LEU HD21 H -5.546 -3.079 -0.540 1.00 . A A . 7 LEU HD21 1 1 2 402 1 1 7 LEU HD22 H -5.243 -3.253 -2.268 1.00 . A A . 7 LEU HD22 1 1 2 403 1 1 7 LEU HD23 H -5.591 -1.664 -1.590 1.00 . A A . 7 LEU HD23 1 1 2 404 1 1 7 LEU HG H -3.358 -1.366 -1.419 1.00 . A A . 7 LEU HG 1 1 2 405 1 1 7 LEU N N -2.536 -0.706 1.489 1.00 . A A . 7 LEU N 1 1 2 406 1 1 7 LEU O O -0.282 -2.113 -0.894 1.00 . A A . 7 LEU O 1 1 2 407 1 1 8 MET C C 0.595 0.993 -1.604 1.00 . A A . 8 MET C 1 1 2 408 1 1 8 MET CA C -0.665 0.281 -2.100 1.00 . A A . 8 MET CA 1 1 2 409 1 1 8 MET CB C -1.604 1.270 -2.793 1.00 . A A . 8 MET CB 1 1 2 410 1 1 8 MET CE C -3.376 1.267 -5.976 1.00 . A A . 8 MET CE 1 1 2 411 1 1 8 MET CG C -1.256 1.348 -4.281 1.00 . A A . 8 MET CG 1 1 2 412 1 1 8 MET H H -2.161 0.294 -0.568 1.00 . A A . 8 MET H 1 1 2 413 1 1 8 MET HA H -0.411 -0.518 -2.771 1.00 . A A . 8 MET HA 1 1 2 414 1 1 8 MET HB2 H -2.625 0.938 -2.677 1.00 . A A . 8 MET HB2 1 1 2 415 1 1 8 MET HB3 H -1.490 2.247 -2.346 1.00 . A A . 8 MET HB3 1 1 2 416 1 1 8 MET HE1 H -2.821 2.040 -6.489 1.00 . A A . 8 MET HE1 1 1 2 417 1 1 8 MET HE2 H -4.007 1.711 -5.220 1.00 . A A . 8 MET HE2 1 1 2 418 1 1 8 MET HE3 H -3.988 0.735 -6.687 1.00 . A A . 8 MET HE3 1 1 2 419 1 1 8 MET HG2 H -1.490 2.335 -4.653 1.00 . A A . 8 MET HG2 1 1 2 420 1 1 8 MET HG3 H -0.202 1.154 -4.416 1.00 . A A . 8 MET HG3 1 1 2 421 1 1 8 MET N N -1.443 -0.243 -0.947 1.00 . A A . 8 MET N 1 1 2 422 1 1 8 MET O O 1.703 0.627 -1.946 1.00 . A A . 8 MET O 1 1 2 423 1 1 8 MET SD S -2.219 0.116 -5.192 1.00 . A A . 8 MET SD 1 1 2 424 1 1 9 LYS C C 2.576 1.779 0.441 1.00 . A A . 9 LYS C 1 1 2 425 1 1 9 LYS CA C 1.621 2.744 -0.267 1.00 . A A . 9 LYS CA 1 1 2 426 1 1 9 LYS CB C 1.054 3.764 0.724 1.00 . A A . 9 LYS CB 1 1 2 427 1 1 9 LYS CD C -0.182 5.558 -0.505 1.00 . A A . 9 LYS CD 1 1 2 428 1 1 9 LYS CE C -0.122 5.314 -2.015 1.00 . A A . 9 LYS CE 1 1 2 429 1 1 9 LYS CG C 1.155 5.172 0.130 1.00 . A A . 9 LYS CG 1 1 2 430 1 1 9 LYS H H -0.469 2.282 -0.531 1.00 . A A . 9 LYS H 1 1 2 431 1 1 9 LYS HA H 2.132 3.253 -1.067 1.00 . A A . 9 LYS HA 1 1 2 432 1 1 9 LYS HB2 H 0.018 3.531 0.926 1.00 . A A . 9 LYS HB2 1 1 2 433 1 1 9 LYS HB3 H 1.617 3.724 1.645 1.00 . A A . 9 LYS HB3 1 1 2 434 1 1 9 LYS HD2 H -0.971 4.961 -0.074 1.00 . A A . 9 LYS HD2 1 1 2 435 1 1 9 LYS HD3 H -0.380 6.604 -0.319 1.00 . A A . 9 LYS HD3 1 1 2 436 1 1 9 LYS HE2 H 0.485 4.445 -2.230 1.00 . A A . 9 LYS HE2 1 1 2 437 1 1 9 LYS HE3 H -1.116 5.191 -2.416 1.00 . A A . 9 LYS HE3 1 1 2 438 1 1 9 LYS HG2 H 1.400 5.876 0.913 1.00 . A A . 9 LYS HG2 1 1 2 439 1 1 9 LYS HG3 H 1.929 5.189 -0.624 1.00 . A A . 9 LYS HG3 1 1 2 440 1 1 9 LYS HZ1 H 0.032 7.383 -2.195 1.00 . A A . 9 LYS HZ1 1 1 2 441 1 1 9 LYS HZ2 H 0.413 6.536 -3.614 1.00 . A A . 9 LYS HZ2 1 1 2 442 1 1 9 LYS HZ3 H 1.515 6.564 -2.321 1.00 . A A . 9 LYS HZ3 1 1 2 443 1 1 9 LYS N N 0.434 2.007 -0.794 1.00 . A A . 9 LYS N 1 1 2 444 1 1 9 LYS NZ N 0.507 6.541 -2.579 1.00 . A A . 9 LYS NZ 1 1 2 445 1 1 9 LYS O O 3.743 2.063 0.610 1.00 . A A . 9 LYS O 1 1 2 446 1 1 10 ALA C C 3.926 -0.988 0.543 1.00 . A A . 10 ALA C 1 1 2 447 1 1 10 ALA CA C 2.970 -0.340 1.549 1.00 . A A . 10 ALA CA 1 1 2 448 1 1 10 ALA CB C 2.021 -1.387 2.132 1.00 . A A . 10 ALA CB 1 1 2 449 1 1 10 ALA H H 1.146 0.429 0.715 1.00 . A A . 10 ALA H 1 1 2 450 1 1 10 ALA HA H 3.518 0.142 2.337 1.00 . A A . 10 ALA HA 1 1 2 451 1 1 10 ALA HB1 H 2.545 -2.326 2.243 1.00 . A A . 10 ALA HB1 1 1 2 452 1 1 10 ALA HB2 H 1.181 -1.522 1.467 1.00 . A A . 10 ALA HB2 1 1 2 453 1 1 10 ALA HB3 H 1.667 -1.056 3.097 1.00 . A A . 10 ALA HB3 1 1 2 454 1 1 10 ALA N N 2.088 0.640 0.857 1.00 . A A . 10 ALA N 1 1 2 455 1 1 10 ALA O O 5.115 -1.077 0.769 1.00 . A A . 10 ALA O 1 1 2 456 1 1 11 PHE C C 5.324 -1.094 -2.113 1.00 . A A . 11 PHE C 1 1 2 457 1 1 11 PHE CA C 4.286 -2.088 -1.583 1.00 . A A . 11 PHE CA 1 1 2 458 1 1 11 PHE CB C 3.334 -2.516 -2.702 1.00 . A A . 11 PHE CB 1 1 2 459 1 1 11 PHE CD1 C 2.323 -3.996 -0.895 1.00 . A A . 11 PHE CD1 1 1 2 460 1 1 11 PHE CD2 C 1.056 -3.574 -2.920 1.00 . A A . 11 PHE CD2 1 1 2 461 1 1 11 PHE CE1 C 1.278 -4.790 -0.408 1.00 . A A . 11 PHE CE1 1 1 2 462 1 1 11 PHE CE2 C 0.013 -4.369 -2.432 1.00 . A A . 11 PHE CE2 1 1 2 463 1 1 11 PHE CG C 2.213 -3.385 -2.155 1.00 . A A . 11 PHE CG 1 1 2 464 1 1 11 PHE CZ C 0.123 -4.976 -1.176 1.00 . A A . 11 PHE CZ 1 1 2 465 1 1 11 PHE H H 2.451 -1.361 -0.733 1.00 . A A . 11 PHE H 1 1 2 466 1 1 11 PHE HA H 4.774 -2.952 -1.164 1.00 . A A . 11 PHE HA 1 1 2 467 1 1 11 PHE HB2 H 2.907 -1.635 -3.157 1.00 . A A . 11 PHE HB2 1 1 2 468 1 1 11 PHE HB3 H 3.884 -3.071 -3.444 1.00 . A A . 11 PHE HB3 1 1 2 469 1 1 11 PHE HD1 H 3.213 -3.854 -0.301 1.00 . A A . 11 PHE HD1 1 1 2 470 1 1 11 PHE HD2 H 0.968 -3.107 -3.889 1.00 . A A . 11 PHE HD2 1 1 2 471 1 1 11 PHE HE1 H 1.363 -5.256 0.563 1.00 . A A . 11 PHE HE1 1 1 2 472 1 1 11 PHE HE2 H -0.878 -4.513 -3.025 1.00 . A A . 11 PHE HE2 1 1 2 473 1 1 11 PHE HZ H -0.682 -5.589 -0.799 1.00 . A A . 11 PHE HZ 1 1 2 474 1 1 11 PHE N N 3.413 -1.441 -0.567 1.00 . A A . 11 PHE N 1 1 2 475 1 1 11 PHE O O 6.307 -1.475 -2.717 1.00 . A A . 11 PHE O 1 1 2 476 1 1 12 GLU C C 6.833 1.848 -1.232 1.00 . A A . 12 GLU C 1 1 2 477 1 1 12 GLU CA C 6.088 1.191 -2.398 1.00 . A A . 12 GLU CA 1 1 2 478 1 1 12 GLU CB C 5.233 2.226 -3.133 1.00 . A A . 12 GLU CB 1 1 2 479 1 1 12 GLU CD C 5.039 3.479 -5.286 1.00 . A A . 12 GLU CD 1 1 2 480 1 1 12 GLU CG C 5.560 2.201 -4.626 1.00 . A A . 12 GLU CG 1 1 2 481 1 1 12 GLU H H 4.312 0.469 -1.414 1.00 . A A . 12 GLU H 1 1 2 482 1 1 12 GLU HA H 6.785 0.736 -3.082 1.00 . A A . 12 GLU HA 1 1 2 483 1 1 12 GLU HB2 H 4.186 1.996 -2.988 1.00 . A A . 12 GLU HB2 1 1 2 484 1 1 12 GLU HB3 H 5.441 3.210 -2.738 1.00 . A A . 12 GLU HB3 1 1 2 485 1 1 12 GLU HG2 H 6.631 2.138 -4.759 1.00 . A A . 12 GLU HG2 1 1 2 486 1 1 12 GLU HG3 H 5.089 1.344 -5.084 1.00 . A A . 12 GLU HG3 1 1 2 487 1 1 12 GLU N N 5.113 0.178 -1.897 1.00 . A A . 12 GLU N 1 1 2 488 1 1 12 GLU O O 8.020 2.093 -1.307 1.00 . A A . 12 GLU O 1 1 2 489 1 1 12 GLU OE1 O 5.166 4.529 -4.679 1.00 . A A . 12 GLU OE1 1 1 2 490 1 1 12 GLU OE2 O 4.519 3.385 -6.386 1.00 . A A . 12 GLU OE2 1 1 2 491 1 1 13 SER C C 7.319 1.793 2.006 1.00 . A A . 13 SER C 1 1 2 492 1 1 13 SER CA C 6.802 2.818 0.991 1.00 . A A . 13 SER CA 1 1 2 493 1 1 13 SER CB C 5.717 3.691 1.618 1.00 . A A . 13 SER CB 1 1 2 494 1 1 13 SER H H 5.185 1.965 -0.139 1.00 . A A . 13 SER H 1 1 2 495 1 1 13 SER HA H 7.607 3.432 0.646 1.00 . A A . 13 SER HA 1 1 2 496 1 1 13 SER HB2 H 5.111 4.128 0.842 1.00 . A A . 13 SER HB2 1 1 2 497 1 1 13 SER HB3 H 5.093 3.082 2.259 1.00 . A A . 13 SER HB3 1 1 2 498 1 1 13 SER HG H 6.373 4.440 3.289 1.00 . A A . 13 SER HG 1 1 2 499 1 1 13 SER N N 6.141 2.154 -0.169 1.00 . A A . 13 SER N 1 1 2 500 1 1 13 SER O O 8.170 2.096 2.821 1.00 . A A . 13 SER O 1 1 2 501 1 1 13 SER OG O 6.328 4.727 2.374 1.00 . A A . 13 SER OG 1 1 2 502 1 1 14 LEU C C 8.457 -1.235 2.361 1.00 . A A . 14 LEU C 1 1 2 503 1 1 14 LEU CA C 7.291 -0.431 2.948 1.00 . A A . 14 LEU CA 1 1 2 504 1 1 14 LEU CB C 6.087 -1.338 3.205 1.00 . A A . 14 LEU CB 1 1 2 505 1 1 14 LEU CD1 C 4.615 -1.902 5.142 1.00 . A A . 14 LEU CD1 1 1 2 506 1 1 14 LEU CD2 C 6.791 -3.088 4.844 1.00 . A A . 14 LEU CD2 1 1 2 507 1 1 14 LEU CG C 6.063 -1.752 4.678 1.00 . A A . 14 LEU CG 1 1 2 508 1 1 14 LEU H H 6.134 0.364 1.321 1.00 . A A . 14 LEU H 1 1 2 509 1 1 14 LEU HA H 7.589 0.046 3.861 1.00 . A A . 14 LEU HA 1 1 2 510 1 1 14 LEU HB2 H 5.178 -0.805 2.966 1.00 . A A . 14 LEU HB2 1 1 2 511 1 1 14 LEU HB3 H 6.160 -2.220 2.587 1.00 . A A . 14 LEU HB3 1 1 2 512 1 1 14 LEU HD11 H 4.084 -0.977 4.970 1.00 . A A . 14 LEU HD11 1 1 2 513 1 1 14 LEU HD12 H 4.596 -2.137 6.196 1.00 . A A . 14 LEU HD12 1 1 2 514 1 1 14 LEU HD13 H 4.139 -2.698 4.588 1.00 . A A . 14 LEU HD13 1 1 2 515 1 1 14 LEU HD21 H 6.409 -3.798 4.126 1.00 . A A . 14 LEU HD21 1 1 2 516 1 1 14 LEU HD22 H 6.630 -3.463 5.843 1.00 . A A . 14 LEU HD22 1 1 2 517 1 1 14 LEU HD23 H 7.850 -2.944 4.681 1.00 . A A . 14 LEU HD23 1 1 2 518 1 1 14 LEU HG H 6.556 -0.995 5.272 1.00 . A A . 14 LEU HG 1 1 2 519 1 1 14 LEU N N 6.818 0.591 1.974 1.00 . A A . 14 LEU N 1 1 2 520 1 1 14 LEU O O 8.622 -2.403 2.651 1.00 . A A . 14 LEU O 1 1 2 521 1 1 15 LYS C C 11.400 -1.767 2.050 1.00 . A A . 15 LYS C 1 1 2 522 1 1 15 LYS CA C 10.426 -1.352 0.950 1.00 . A A . 15 LYS CA 1 1 2 523 1 1 15 LYS CB C 11.088 -0.358 -0.006 1.00 . A A . 15 LYS CB 1 1 2 524 1 1 15 LYS CD C 11.302 -0.131 -2.487 1.00 . A A . 15 LYS CD 1 1 2 525 1 1 15 LYS CE C 12.396 -0.398 -3.524 1.00 . A A . 15 LYS CE 1 1 2 526 1 1 15 LYS CG C 11.484 -1.077 -1.297 1.00 . A A . 15 LYS CG 1 1 2 527 1 1 15 LYS H H 9.124 0.325 1.323 1.00 . A A . 15 LYS H 1 1 2 528 1 1 15 LYS HA H 10.086 -2.208 0.406 1.00 . A A . 15 LYS HA 1 1 2 529 1 1 15 LYS HB2 H 10.396 0.439 -0.233 1.00 . A A . 15 LYS HB2 1 1 2 530 1 1 15 LYS HB3 H 11.971 0.053 0.459 1.00 . A A . 15 LYS HB3 1 1 2 531 1 1 15 LYS HD2 H 10.333 -0.298 -2.934 1.00 . A A . 15 LYS HD2 1 1 2 532 1 1 15 LYS HD3 H 11.371 0.891 -2.149 1.00 . A A . 15 LYS HD3 1 1 2 533 1 1 15 LYS HE2 H 12.643 -1.451 -3.547 1.00 . A A . 15 LYS HE2 1 1 2 534 1 1 15 LYS HE3 H 12.080 -0.063 -4.500 1.00 . A A . 15 LYS HE3 1 1 2 535 1 1 15 LYS HG2 H 12.518 -1.384 -1.235 1.00 . A A . 15 LYS HG2 1 1 2 536 1 1 15 LYS HG3 H 10.858 -1.946 -1.433 1.00 . A A . 15 LYS HG3 1 1 2 537 1 1 15 LYS HZ1 H 13.365 1.414 -3.188 1.00 . A A . 15 LYS HZ1 1 1 2 538 1 1 15 LYS HZ2 H 14.403 0.144 -3.620 1.00 . A A . 15 LYS HZ2 1 1 2 539 1 1 15 LYS HZ3 H 13.743 0.205 -2.056 1.00 . A A . 15 LYS HZ3 1 1 2 540 1 1 15 LYS N N 9.270 -0.619 1.543 1.00 . A A . 15 LYS N 1 1 2 541 1 1 15 LYS NZ N 13.564 0.402 -3.063 1.00 . A A . 15 LYS NZ 1 1 2 542 1 1 15 LYS O O 11.861 -2.890 2.103 1.00 . A A . 15 LYS O 1 1 2 543 1 1 16 SER C C 12.959 0.162 4.776 1.00 . A A . 16 SER C 1 1 2 544 1 1 16 SER CA C 12.650 -1.144 4.052 1.00 . A A . 16 SER CA 1 1 2 545 1 1 16 SER CB C 13.916 -1.709 3.403 1.00 . A A . 16 SER CB 1 1 2 546 1 1 16 SER H H 11.312 0.037 2.854 1.00 . A A . 16 SER H 1 1 2 547 1 1 16 SER HA H 12.222 -1.860 4.729 1.00 . A A . 16 SER HA 1 1 2 548 1 1 16 SER HB2 H 13.938 -1.444 2.359 1.00 . A A . 16 SER HB2 1 1 2 549 1 1 16 SER HB3 H 14.787 -1.295 3.895 1.00 . A A . 16 SER HB3 1 1 2 550 1 1 16 SER HG H 13.262 -3.476 2.917 1.00 . A A . 16 SER HG 1 1 2 551 1 1 16 SER N N 11.708 -0.856 2.930 1.00 . A A . 16 SER N 1 1 2 552 1 1 16 SER O O 13.148 0.204 5.975 1.00 . A A . 16 SER O 1 1 2 553 1 1 16 SER OG O 13.916 -3.125 3.526 1.00 . A A . 16 SER OG 1 1 2 554 1 1 17 PHE C C 12.083 3.041 5.456 1.00 . A A . 17 PHE C 1 1 2 555 1 1 17 PHE CA C 13.285 2.565 4.635 1.00 . A A . 17 PHE CA 1 1 2 556 1 1 17 PHE CB C 13.537 3.514 3.452 1.00 . A A . 17 PHE CB 1 1 2 557 1 1 17 PHE CD1 C 11.168 3.643 2.579 1.00 . A A . 17 PHE CD1 1 1 2 558 1 1 17 PHE CD2 C 12.890 2.706 1.152 1.00 . A A . 17 PHE CD2 1 1 2 559 1 1 17 PHE CE1 C 10.220 3.421 1.574 1.00 . A A . 17 PHE CE1 1 1 2 560 1 1 17 PHE CE2 C 11.942 2.485 0.149 1.00 . A A . 17 PHE CE2 1 1 2 561 1 1 17 PHE CG C 12.505 3.285 2.368 1.00 . A A . 17 PHE CG 1 1 2 562 1 1 17 PHE CZ C 10.607 2.843 0.361 1.00 . A A . 17 PHE CZ 1 1 2 563 1 1 17 PHE H H 12.839 1.149 3.074 1.00 . A A . 17 PHE H 1 1 2 564 1 1 17 PHE HA H 14.163 2.511 5.252 1.00 . A A . 17 PHE HA 1 1 2 565 1 1 17 PHE HB2 H 13.474 4.536 3.795 1.00 . A A . 17 PHE HB2 1 1 2 566 1 1 17 PHE HB3 H 14.522 3.330 3.051 1.00 . A A . 17 PHE HB3 1 1 2 567 1 1 17 PHE HD1 H 10.867 4.089 3.516 1.00 . A A . 17 PHE HD1 1 1 2 568 1 1 17 PHE HD2 H 13.921 2.430 0.989 1.00 . A A . 17 PHE HD2 1 1 2 569 1 1 17 PHE HE1 H 9.188 3.693 1.736 1.00 . A A . 17 PHE HE1 1 1 2 570 1 1 17 PHE HE2 H 12.240 2.035 -0.787 1.00 . A A . 17 PHE HE2 1 1 2 571 1 1 17 PHE HZ H 9.875 2.673 -0.413 1.00 . A A . 17 PHE HZ 1 1 2 572 1 1 17 PHE N N 13.001 1.229 4.034 1.00 . A A . 17 PHE N 1 1 2 573 1 1 17 PHE O O 11.092 2.347 5.571 1.00 . A A . 17 PHE O 1 1 2 574 1 1 18 NH2 HN1 H 11.365 4.523 6.564 1.00 . A A . 18 NH2 HN1 1 1 2 575 1 1 18 NH2 HN2 H 12.926 4.770 5.946 1.00 . A A . 18 NH2 HN2 1 1 2 576 1 1 18 NH2 N N 12.128 4.209 6.037 1.00 . A A . 18 NH2 N 1 1 3 577 1 1 1 MET C C -12.917 1.456 6.230 1.00 . A A . 1 MET C 1 1 3 578 1 1 1 MET CA C -13.497 2.625 7.033 1.00 . A A . 1 MET CA 1 1 3 579 1 1 1 MET CB C -13.977 2.148 8.404 1.00 . A A . 1 MET CB 1 1 3 580 1 1 1 MET CE C -13.767 4.584 11.664 1.00 . A A . 1 MET CE 1 1 3 581 1 1 1 MET CG C -14.267 3.359 9.293 1.00 . A A . 1 MET CG 1 1 3 582 1 1 1 MET H1 H -15.465 2.437 6.377 1.00 . A A . 1 MET H1 1 1 3 583 1 1 1 MET H2 H -14.489 3.399 5.373 1.00 . A A . 1 MET H2 1 1 3 584 1 1 1 MET H3 H -15.045 4.008 6.858 1.00 . A A . 1 MET H3 1 1 3 585 1 1 1 MET HA H -12.761 3.404 7.150 1.00 . A A . 1 MET HA 1 1 3 586 1 1 1 MET HB2 H -14.877 1.563 8.287 1.00 . A A . 1 MET HB2 1 1 3 587 1 1 1 MET HB3 H -13.210 1.542 8.863 1.00 . A A . 1 MET HB3 1 1 3 588 1 1 1 MET HE1 H -13.322 4.534 12.649 1.00 . A A . 1 MET HE1 1 1 3 589 1 1 1 MET HE2 H -14.721 5.090 11.719 1.00 . A A . 1 MET HE2 1 1 3 590 1 1 1 MET HE3 H -13.111 5.129 11.004 1.00 . A A . 1 MET HE3 1 1 3 591 1 1 1 MET HG2 H -13.601 4.167 9.030 1.00 . A A . 1 MET HG2 1 1 3 592 1 1 1 MET HG3 H -15.290 3.674 9.149 1.00 . A A . 1 MET HG3 1 1 3 593 1 1 1 MET N N -14.716 3.158 6.360 1.00 . A A . 1 MET N 1 1 3 594 1 1 1 MET O O -13.576 0.462 6.001 1.00 . A A . 1 MET O 1 1 3 595 1 1 1 MET SD S -14.012 2.908 11.028 1.00 . A A . 1 MET SD 1 1 3 596 1 1 2 ALA C C -9.538 0.545 5.121 1.00 . A A . 2 ALA C 1 1 3 597 1 1 2 ALA CA C -11.062 0.470 5.014 1.00 . A A . 2 ALA CA 1 1 3 598 1 1 2 ALA CB C -11.512 0.709 3.573 1.00 . A A . 2 ALA CB 1 1 3 599 1 1 2 ALA H H -11.176 2.384 5.999 1.00 . A A . 2 ALA H 1 1 3 600 1 1 2 ALA HA H -11.419 -0.489 5.357 1.00 . A A . 2 ALA HA 1 1 3 601 1 1 2 ALA HB1 H -11.020 1.588 3.183 1.00 . A A . 2 ALA HB1 1 1 3 602 1 1 2 ALA HB2 H -12.582 0.854 3.549 1.00 . A A . 2 ALA HB2 1 1 3 603 1 1 2 ALA HB3 H -11.252 -0.147 2.968 1.00 . A A . 2 ALA HB3 1 1 3 604 1 1 2 ALA N N -11.688 1.571 5.802 1.00 . A A . 2 ALA N 1 1 3 605 1 1 2 ALA O O -8.999 1.157 6.022 1.00 . A A . 2 ALA O 1 1 3 606 1 1 3 THR C C -6.760 -0.382 2.883 1.00 . A A . 3 THR C 1 1 3 607 1 1 3 THR CA C -7.346 -0.037 4.255 1.00 . A A . 3 THR CA 1 1 3 608 1 1 3 THR CB C -6.954 -1.095 5.291 1.00 . A A . 3 THR CB 1 1 3 609 1 1 3 THR CG2 C -7.482 -2.466 4.861 1.00 . A A . 3 THR CG2 1 1 3 610 1 1 3 THR H H -9.292 -0.560 3.488 1.00 . A A . 3 THR H 1 1 3 611 1 1 3 THR HA H -7.005 0.934 4.572 1.00 . A A . 3 THR HA 1 1 3 612 1 1 3 THR HB H -7.380 -0.835 6.249 1.00 . A A . 3 THR HB 1 1 3 613 1 1 3 THR HG1 H -5.188 -1.460 4.565 1.00 . A A . 3 THR HG1 1 1 3 614 1 1 3 THR HG21 H -6.680 -3.035 4.413 1.00 . A A . 3 THR HG21 1 1 3 615 1 1 3 THR HG22 H -8.278 -2.337 4.142 1.00 . A A . 3 THR HG22 1 1 3 616 1 1 3 THR HG23 H -7.859 -2.993 5.724 1.00 . A A . 3 THR HG23 1 1 3 617 1 1 3 THR N N -8.837 -0.073 4.207 1.00 . A A . 3 THR N 1 1 3 618 1 1 3 THR O O -5.823 -1.148 2.773 1.00 . A A . 3 THR O 1 1 3 619 1 1 3 THR OG1 O -5.538 -1.145 5.401 1.00 . A A . 3 THR OG1 1 1 3 620 1 1 4 LEU C C -5.474 0.640 0.245 1.00 . A A . 4 LEU C 1 1 3 621 1 1 4 LEU CA C -6.784 -0.112 0.477 1.00 . A A . 4 LEU CA 1 1 3 622 1 1 4 LEU CB C -7.869 0.376 -0.485 1.00 . A A . 4 LEU CB 1 1 3 623 1 1 4 LEU CD1 C -9.653 -0.969 0.634 1.00 . A A . 4 LEU CD1 1 1 3 624 1 1 4 LEU CD2 C -9.910 -0.298 -1.758 1.00 . A A . 4 LEU CD2 1 1 3 625 1 1 4 LEU CG C -8.911 -0.727 -0.681 1.00 . A A . 4 LEU CG 1 1 3 626 1 1 4 LEU H H -8.058 0.791 1.952 1.00 . A A . 4 LEU H 1 1 3 627 1 1 4 LEU HA H -6.631 -1.169 0.358 1.00 . A A . 4 LEU HA 1 1 3 628 1 1 4 LEU HB2 H -8.345 1.254 -0.073 1.00 . A A . 4 LEU HB2 1 1 3 629 1 1 4 LEU HB3 H -7.423 0.621 -1.437 1.00 . A A . 4 LEU HB3 1 1 3 630 1 1 4 LEU HD11 H -10.637 -1.362 0.425 1.00 . A A . 4 LEU HD11 1 1 3 631 1 1 4 LEU HD12 H -9.746 -0.036 1.172 1.00 . A A . 4 LEU HD12 1 1 3 632 1 1 4 LEU HD13 H -9.102 -1.677 1.235 1.00 . A A . 4 LEU HD13 1 1 3 633 1 1 4 LEU HD21 H -10.323 -1.175 -2.236 1.00 . A A . 4 LEU HD21 1 1 3 634 1 1 4 LEU HD22 H -9.406 0.310 -2.495 1.00 . A A . 4 LEU HD22 1 1 3 635 1 1 4 LEU HD23 H -10.705 0.273 -1.304 1.00 . A A . 4 LEU HD23 1 1 3 636 1 1 4 LEU HG H -8.417 -1.637 -0.987 1.00 . A A . 4 LEU HG 1 1 3 637 1 1 4 LEU N N -7.307 0.180 1.839 1.00 . A A . 4 LEU N 1 1 3 638 1 1 4 LEU O O -4.462 0.046 -0.066 1.00 . A A . 4 LEU O 1 1 3 639 1 1 5 GLU C C -3.136 2.151 1.124 1.00 . A A . 5 GLU C 1 1 3 640 1 1 5 GLU CA C -4.212 2.703 0.197 1.00 . A A . 5 GLU CA 1 1 3 641 1 1 5 GLU CB C -4.548 4.155 0.545 1.00 . A A . 5 GLU CB 1 1 3 642 1 1 5 GLU CD C -3.373 5.366 -1.298 1.00 . A A . 5 GLU CD 1 1 3 643 1 1 5 GLU CG C -4.740 4.958 -0.743 1.00 . A A . 5 GLU CG 1 1 3 644 1 1 5 GLU H H -6.297 2.403 0.660 1.00 . A A . 5 GLU H 1 1 3 645 1 1 5 GLU HA H -3.891 2.623 -0.826 1.00 . A A . 5 GLU HA 1 1 3 646 1 1 5 GLU HB2 H -5.458 4.183 1.127 1.00 . A A . 5 GLU HB2 1 1 3 647 1 1 5 GLU HB3 H -3.740 4.584 1.118 1.00 . A A . 5 GLU HB3 1 1 3 648 1 1 5 GLU HG2 H -5.258 4.352 -1.471 1.00 . A A . 5 GLU HG2 1 1 3 649 1 1 5 GLU HG3 H -5.319 5.844 -0.532 1.00 . A A . 5 GLU HG3 1 1 3 650 1 1 5 GLU N N -5.476 1.938 0.402 1.00 . A A . 5 GLU N 1 1 3 651 1 1 5 GLU O O -1.975 2.075 0.770 1.00 . A A . 5 GLU O 1 1 3 652 1 1 5 GLU OE1 O -2.512 5.711 -0.505 1.00 . A A . 5 GLU OE1 1 1 3 653 1 1 5 GLU OE2 O -3.211 5.329 -2.507 1.00 . A A . 5 GLU OE2 1 1 3 654 1 1 6 LYS C C -1.955 -0.133 2.603 1.00 . A A . 6 LYS C 1 1 3 655 1 1 6 LYS CA C -2.528 1.142 3.230 1.00 . A A . 6 LYS CA 1 1 3 656 1 1 6 LYS CB C -3.314 0.815 4.500 1.00 . A A . 6 LYS CB 1 1 3 657 1 1 6 LYS CD C -2.342 2.116 6.404 1.00 . A A . 6 LYS CD 1 1 3 658 1 1 6 LYS CE C -2.910 1.723 7.770 1.00 . A A . 6 LYS CE 1 1 3 659 1 1 6 LYS CG C -3.455 2.078 5.354 1.00 . A A . 6 LYS CG 1 1 3 660 1 1 6 LYS H H -4.463 1.776 2.549 1.00 . A A . 6 LYS H 1 1 3 661 1 1 6 LYS HA H -1.745 1.849 3.444 1.00 . A A . 6 LYS HA 1 1 3 662 1 1 6 LYS HB2 H -4.295 0.449 4.231 1.00 . A A . 6 LYS HB2 1 1 3 663 1 1 6 LYS HB3 H -2.789 0.058 5.063 1.00 . A A . 6 LYS HB3 1 1 3 664 1 1 6 LYS HD2 H -1.560 1.425 6.126 1.00 . A A . 6 LYS HD2 1 1 3 665 1 1 6 LYS HD3 H -1.935 3.114 6.460 1.00 . A A . 6 LYS HD3 1 1 3 666 1 1 6 LYS HE2 H -3.724 1.020 7.649 1.00 . A A . 6 LYS HE2 1 1 3 667 1 1 6 LYS HE3 H -2.137 1.302 8.393 1.00 . A A . 6 LYS HE3 1 1 3 668 1 1 6 LYS HG2 H -3.382 2.949 4.719 1.00 . A A . 6 LYS HG2 1 1 3 669 1 1 6 LYS HG3 H -4.415 2.072 5.847 1.00 . A A . 6 LYS HG3 1 1 3 670 1 1 6 LYS HZ1 H -2.597 3.601 8.611 1.00 . A A . 6 LYS HZ1 1 1 3 671 1 1 6 LYS HZ2 H -3.958 2.792 9.216 1.00 . A A . 6 LYS HZ2 1 1 3 672 1 1 6 LYS HZ3 H -4.007 3.490 7.669 1.00 . A A . 6 LYS HZ3 1 1 3 673 1 1 6 LYS N N -3.521 1.730 2.296 1.00 . A A . 6 LYS N 1 1 3 674 1 1 6 LYS NZ N -3.406 2.998 8.361 1.00 . A A . 6 LYS NZ 1 1 3 675 1 1 6 LYS O O -0.936 -0.643 3.026 1.00 . A A . 6 LYS O 1 1 3 676 1 1 7 LEU C C -1.228 -1.491 -0.274 1.00 . A A . 7 LEU C 1 1 3 677 1 1 7 LEU CA C -2.113 -1.876 0.920 1.00 . A A . 7 LEU CA 1 1 3 678 1 1 7 LEU CB C -3.388 -2.630 0.490 1.00 . A A . 7 LEU CB 1 1 3 679 1 1 7 LEU CD1 C -2.882 -3.438 -1.825 1.00 . A A . 7 LEU CD1 1 1 3 680 1 1 7 LEU CD2 C -5.179 -2.632 -1.257 1.00 . A A . 7 LEU CD2 1 1 3 681 1 1 7 LEU CG C -3.682 -2.427 -1.003 1.00 . A A . 7 LEU CG 1 1 3 682 1 1 7 LEU H H -3.424 -0.219 1.258 1.00 . A A . 7 LEU H 1 1 3 683 1 1 7 LEU HA H -1.557 -2.469 1.621 1.00 . A A . 7 LEU HA 1 1 3 684 1 1 7 LEU HB2 H -3.260 -3.685 0.684 1.00 . A A . 7 LEU HB2 1 1 3 685 1 1 7 LEU HB3 H -4.226 -2.265 1.067 1.00 . A A . 7 LEU HB3 1 1 3 686 1 1 7 LEU HD11 H -2.057 -3.810 -1.237 1.00 . A A . 7 LEU HD11 1 1 3 687 1 1 7 LEU HD12 H -2.501 -2.958 -2.715 1.00 . A A . 7 LEU HD12 1 1 3 688 1 1 7 LEU HD13 H -3.522 -4.261 -2.108 1.00 . A A . 7 LEU HD13 1 1 3 689 1 1 7 LEU HD21 H -5.607 -3.208 -0.451 1.00 . A A . 7 LEU HD21 1 1 3 690 1 1 7 LEU HD22 H -5.316 -3.161 -2.190 1.00 . A A . 7 LEU HD22 1 1 3 691 1 1 7 LEU HD23 H -5.670 -1.672 -1.314 1.00 . A A . 7 LEU HD23 1 1 3 692 1 1 7 LEU HG H -3.402 -1.426 -1.292 1.00 . A A . 7 LEU HG 1 1 3 693 1 1 7 LEU N N -2.609 -0.647 1.587 1.00 . A A . 7 LEU N 1 1 3 694 1 1 7 LEU O O -0.329 -2.214 -0.654 1.00 . A A . 7 LEU O 1 1 3 695 1 1 8 MET C C 0.566 0.857 -1.525 1.00 . A A . 8 MET C 1 1 3 696 1 1 8 MET CA C -0.669 0.104 -2.017 1.00 . A A . 8 MET CA 1 1 3 697 1 1 8 MET CB C -1.590 1.037 -2.805 1.00 . A A . 8 MET CB 1 1 3 698 1 1 8 MET CE C -2.283 -0.172 -6.231 1.00 . A A . 8 MET CE 1 1 3 699 1 1 8 MET CG C -1.058 1.196 -4.231 1.00 . A A . 8 MET CG 1 1 3 700 1 1 8 MET H H -2.208 0.213 -0.532 1.00 . A A . 8 MET H 1 1 3 701 1 1 8 MET HA H -0.386 -0.735 -2.623 1.00 . A A . 8 MET HA 1 1 3 702 1 1 8 MET HB2 H -2.586 0.619 -2.834 1.00 . A A . 8 MET HB2 1 1 3 703 1 1 8 MET HB3 H -1.620 2.004 -2.325 1.00 . A A . 8 MET HB3 1 1 3 704 1 1 8 MET HE1 H -1.394 -0.158 -6.846 1.00 . A A . 8 MET HE1 1 1 3 705 1 1 8 MET HE2 H -3.155 -0.335 -6.851 1.00 . A A . 8 MET HE2 1 1 3 706 1 1 8 MET HE3 H -2.205 -0.968 -5.508 1.00 . A A . 8 MET HE3 1 1 3 707 1 1 8 MET HG2 H -0.412 2.060 -4.280 1.00 . A A . 8 MET HG2 1 1 3 708 1 1 8 MET HG3 H -0.499 0.314 -4.507 1.00 . A A . 8 MET HG3 1 1 3 709 1 1 8 MET N N -1.482 -0.348 -0.858 1.00 . A A . 8 MET N 1 1 3 710 1 1 8 MET O O 1.683 0.544 -1.889 1.00 . A A . 8 MET O 1 1 3 711 1 1 8 MET SD S -2.445 1.414 -5.374 1.00 . A A . 8 MET SD 1 1 3 712 1 1 9 LYS C C 2.559 1.675 0.466 1.00 . A A . 9 LYS C 1 1 3 713 1 1 9 LYS CA C 1.536 2.622 -0.165 1.00 . A A . 9 LYS CA 1 1 3 714 1 1 9 LYS CB C 0.948 3.563 0.893 1.00 . A A . 9 LYS CB 1 1 3 715 1 1 9 LYS CD C 0.451 5.503 -0.606 1.00 . A A . 9 LYS CD 1 1 3 716 1 1 9 LYS CE C 1.319 6.275 -1.602 1.00 . A A . 9 LYS CE 1 1 3 717 1 1 9 LYS CG C 1.319 5.009 0.556 1.00 . A A . 9 LYS CG 1 1 3 718 1 1 9 LYS H H -0.537 2.077 -0.410 1.00 . A A . 9 LYS H 1 1 3 719 1 1 9 LYS HA H 1.997 3.194 -0.954 1.00 . A A . 9 LYS HA 1 1 3 720 1 1 9 LYS HB2 H -0.127 3.461 0.908 1.00 . A A . 9 LYS HB2 1 1 3 721 1 1 9 LYS HB3 H 1.348 3.309 1.863 1.00 . A A . 9 LYS HB3 1 1 3 722 1 1 9 LYS HD2 H -0.002 4.657 -1.102 1.00 . A A . 9 LYS HD2 1 1 3 723 1 1 9 LYS HD3 H -0.322 6.154 -0.226 1.00 . A A . 9 LYS HD3 1 1 3 724 1 1 9 LYS HE2 H 1.188 7.340 -1.467 1.00 . A A . 9 LYS HE2 1 1 3 725 1 1 9 LYS HE3 H 2.356 6.004 -1.488 1.00 . A A . 9 LYS HE3 1 1 3 726 1 1 9 LYS HG2 H 1.152 5.634 1.422 1.00 . A A . 9 LYS HG2 1 1 3 727 1 1 9 LYS HG3 H 2.359 5.057 0.272 1.00 . A A . 9 LYS HG3 1 1 3 728 1 1 9 LYS HZ1 H 1.435 6.265 -3.680 1.00 . A A . 9 LYS HZ1 1 1 3 729 1 1 9 LYS HZ2 H -0.148 6.193 -3.078 1.00 . A A . 9 LYS HZ2 1 1 3 730 1 1 9 LYS HZ3 H 0.848 4.818 -3.013 1.00 . A A . 9 LYS HZ3 1 1 3 731 1 1 9 LYS N N 0.373 1.847 -0.691 1.00 . A A . 9 LYS N 1 1 3 732 1 1 9 LYS NZ N 0.827 5.856 -2.944 1.00 . A A . 9 LYS NZ 1 1 3 733 1 1 9 LYS O O 3.725 1.991 0.567 1.00 . A A . 9 LYS O 1 1 3 734 1 1 10 ALA C C 4.027 -1.013 0.440 1.00 . A A . 10 ALA C 1 1 3 735 1 1 10 ALA CA C 3.087 -0.446 1.505 1.00 . A A . 10 ALA CA 1 1 3 736 1 1 10 ALA CB C 2.211 -1.555 2.090 1.00 . A A . 10 ALA CB 1 1 3 737 1 1 10 ALA H H 1.191 0.278 0.798 1.00 . A A . 10 ALA H 1 1 3 738 1 1 10 ALA HA H 3.650 0.033 2.287 1.00 . A A . 10 ALA HA 1 1 3 739 1 1 10 ALA HB1 H 2.833 -2.390 2.381 1.00 . A A . 10 ALA HB1 1 1 3 740 1 1 10 ALA HB2 H 1.498 -1.880 1.347 1.00 . A A . 10 ALA HB2 1 1 3 741 1 1 10 ALA HB3 H 1.684 -1.180 2.955 1.00 . A A . 10 ALA HB3 1 1 3 742 1 1 10 ALA N N 2.134 0.516 0.887 1.00 . A A . 10 ALA N 1 1 3 743 1 1 10 ALA O O 5.224 -1.060 0.620 1.00 . A A . 10 ALA O 1 1 3 744 1 1 11 PHE C C 5.374 -0.980 -2.220 1.00 . A A . 11 PHE C 1 1 3 745 1 1 11 PHE CA C 4.358 -2.018 -1.736 1.00 . A A . 11 PHE CA 1 1 3 746 1 1 11 PHE CB C 3.393 -2.392 -2.864 1.00 . A A . 11 PHE CB 1 1 3 747 1 1 11 PHE CD1 C 2.453 -4.038 -1.173 1.00 . A A . 11 PHE CD1 1 1 3 748 1 1 11 PHE CD2 C 1.061 -3.338 -3.032 1.00 . A A . 11 PHE CD2 1 1 3 749 1 1 11 PHE CE1 C 1.414 -4.847 -0.701 1.00 . A A . 11 PHE CE1 1 1 3 750 1 1 11 PHE CE2 C 0.024 -4.149 -2.560 1.00 . A A . 11 PHE CE2 1 1 3 751 1 1 11 PHE CG C 2.278 -3.280 -2.342 1.00 . A A . 11 PHE CG 1 1 3 752 1 1 11 PHE CZ C 0.199 -4.904 -1.394 1.00 . A A . 11 PHE CZ 1 1 3 753 1 1 11 PHE H H 2.524 -1.402 -0.798 1.00 . A A . 11 PHE H 1 1 3 754 1 1 11 PHE HA H 4.864 -2.896 -1.378 1.00 . A A . 11 PHE HA 1 1 3 755 1 1 11 PHE HB2 H 2.963 -1.491 -3.274 1.00 . A A . 11 PHE HB2 1 1 3 756 1 1 11 PHE HB3 H 3.932 -2.914 -3.637 1.00 . A A . 11 PHE HB3 1 1 3 757 1 1 11 PHE HD1 H 3.389 -3.996 -0.637 1.00 . A A . 11 PHE HD1 1 1 3 758 1 1 11 PHE HD2 H 0.925 -2.756 -3.932 1.00 . A A . 11 PHE HD2 1 1 3 759 1 1 11 PHE HE1 H 1.549 -5.429 0.199 1.00 . A A . 11 PHE HE1 1 1 3 760 1 1 11 PHE HE2 H -0.913 -4.191 -3.095 1.00 . A A . 11 PHE HE2 1 1 3 761 1 1 11 PHE HZ H -0.602 -5.528 -1.030 1.00 . A A . 11 PHE HZ 1 1 3 762 1 1 11 PHE N N 3.493 -1.447 -0.667 1.00 . A A . 11 PHE N 1 1 3 763 1 1 11 PHE O O 6.364 -1.315 -2.843 1.00 . A A . 11 PHE O 1 1 3 764 1 1 12 GLU C C 6.826 1.937 -1.197 1.00 . A A . 12 GLU C 1 1 3 765 1 1 12 GLU CA C 6.092 1.329 -2.394 1.00 . A A . 12 GLU CA 1 1 3 766 1 1 12 GLU CB C 5.212 2.385 -3.060 1.00 . A A . 12 GLU CB 1 1 3 767 1 1 12 GLU CD C 6.508 3.480 -4.895 1.00 . A A . 12 GLU CD 1 1 3 768 1 1 12 GLU CG C 5.474 2.402 -4.566 1.00 . A A . 12 GLU CG 1 1 3 769 1 1 12 GLU H H 4.333 0.523 -1.447 1.00 . A A . 12 GLU H 1 1 3 770 1 1 12 GLU HA H 6.794 0.928 -3.108 1.00 . A A . 12 GLU HA 1 1 3 771 1 1 12 GLU HB2 H 4.173 2.152 -2.876 1.00 . A A . 12 GLU HB2 1 1 3 772 1 1 12 GLU HB3 H 5.440 3.355 -2.645 1.00 . A A . 12 GLU HB3 1 1 3 773 1 1 12 GLU HG2 H 5.847 1.437 -4.877 1.00 . A A . 12 GLU HG2 1 1 3 774 1 1 12 GLU HG3 H 4.554 2.618 -5.088 1.00 . A A . 12 GLU HG3 1 1 3 775 1 1 12 GLU N N 5.139 0.273 -1.944 1.00 . A A . 12 GLU N 1 1 3 776 1 1 12 GLU O O 8.016 2.176 -1.241 1.00 . A A . 12 GLU O 1 1 3 777 1 1 12 GLU OE1 O 7.425 3.651 -4.109 1.00 . A A . 12 GLU OE1 1 1 3 778 1 1 12 GLU OE2 O 6.364 4.118 -5.924 1.00 . A A . 12 GLU OE2 1 1 3 779 1 1 13 SER C C 7.526 1.789 1.873 1.00 . A A . 13 SER C 1 1 3 780 1 1 13 SER CA C 6.756 2.827 1.057 1.00 . A A . 13 SER CA 1 1 3 781 1 1 13 SER CB C 5.605 3.406 1.876 1.00 . A A . 13 SER CB 1 1 3 782 1 1 13 SER H H 5.155 2.022 -0.137 1.00 . A A . 13 SER H 1 1 3 783 1 1 13 SER HA H 7.413 3.613 0.748 1.00 . A A . 13 SER HA 1 1 3 784 1 1 13 SER HB2 H 4.953 3.974 1.233 1.00 . A A . 13 SER HB2 1 1 3 785 1 1 13 SER HB3 H 5.046 2.598 2.329 1.00 . A A . 13 SER HB3 1 1 3 786 1 1 13 SER HG H 6.244 3.742 3.683 1.00 . A A . 13 SER HG 1 1 3 787 1 1 13 SER N N 6.115 2.208 -0.139 1.00 . A A . 13 SER N 1 1 3 788 1 1 13 SER O O 8.493 2.106 2.538 1.00 . A A . 13 SER O 1 1 3 789 1 1 13 SER OG O 6.129 4.262 2.884 1.00 . A A . 13 SER OG 1 1 3 790 1 1 14 LEU C C 9.316 -0.499 2.289 1.00 . A A . 14 LEU C 1 1 3 791 1 1 14 LEU CA C 7.820 -0.496 2.626 1.00 . A A . 14 LEU CA 1 1 3 792 1 1 14 LEU CB C 7.176 -1.823 2.218 1.00 . A A . 14 LEU CB 1 1 3 793 1 1 14 LEU CD1 C 7.020 -3.247 4.266 1.00 . A A . 14 LEU CD1 1 1 3 794 1 1 14 LEU CD2 C 7.841 -4.229 2.121 1.00 . A A . 14 LEU CD2 1 1 3 795 1 1 14 LEU CG C 7.824 -2.972 2.994 1.00 . A A . 14 LEU CG 1 1 3 796 1 1 14 LEU H H 6.319 0.328 1.297 1.00 . A A . 14 LEU H 1 1 3 797 1 1 14 LEU HA H 7.677 -0.331 3.681 1.00 . A A . 14 LEU HA 1 1 3 798 1 1 14 LEU HB2 H 6.120 -1.792 2.442 1.00 . A A . 14 LEU HB2 1 1 3 799 1 1 14 LEU HB3 H 7.316 -1.982 1.160 1.00 . A A . 14 LEU HB3 1 1 3 800 1 1 14 LEU HD11 H 6.230 -3.950 4.046 1.00 . A A . 14 LEU HD11 1 1 3 801 1 1 14 LEU HD12 H 6.589 -2.324 4.625 1.00 . A A . 14 LEU HD12 1 1 3 802 1 1 14 LEU HD13 H 7.671 -3.660 5.021 1.00 . A A . 14 LEU HD13 1 1 3 803 1 1 14 LEU HD21 H 7.016 -4.195 1.426 1.00 . A A . 14 LEU HD21 1 1 3 804 1 1 14 LEU HD22 H 7.747 -5.103 2.749 1.00 . A A . 14 LEU HD22 1 1 3 805 1 1 14 LEU HD23 H 8.771 -4.276 1.576 1.00 . A A . 14 LEU HD23 1 1 3 806 1 1 14 LEU HG H 8.836 -2.704 3.260 1.00 . A A . 14 LEU HG 1 1 3 807 1 1 14 LEU N N 7.106 0.557 1.837 1.00 . A A . 14 LEU N 1 1 3 808 1 1 14 LEU O O 10.147 -0.172 3.115 1.00 . A A . 14 LEU O 1 1 3 809 1 1 15 LYS C C 11.314 -0.379 -0.721 1.00 . A A . 15 LYS C 1 1 3 810 1 1 15 LYS CA C 11.111 -0.901 0.705 1.00 . A A . 15 LYS CA 1 1 3 811 1 1 15 LYS CB C 11.512 -2.374 0.796 1.00 . A A . 15 LYS CB 1 1 3 812 1 1 15 LYS CD C 13.587 -3.131 -0.383 1.00 . A A . 15 LYS CD 1 1 3 813 1 1 15 LYS CE C 15.057 -3.503 -0.174 1.00 . A A . 15 LYS CE 1 1 3 814 1 1 15 LYS CG C 13.038 -2.485 0.891 1.00 . A A . 15 LYS CG 1 1 3 815 1 1 15 LYS H H 8.981 -1.137 0.439 1.00 . A A . 15 LYS H 1 1 3 816 1 1 15 LYS HA H 11.693 -0.323 1.403 1.00 . A A . 15 LYS HA 1 1 3 817 1 1 15 LYS HB2 H 11.063 -2.816 1.673 1.00 . A A . 15 LYS HB2 1 1 3 818 1 1 15 LYS HB3 H 11.169 -2.895 -0.086 1.00 . A A . 15 LYS HB3 1 1 3 819 1 1 15 LYS HD2 H 13.019 -4.022 -0.608 1.00 . A A . 15 LYS HD2 1 1 3 820 1 1 15 LYS HD3 H 13.507 -2.435 -1.204 1.00 . A A . 15 LYS HD3 1 1 3 821 1 1 15 LYS HE2 H 15.477 -2.926 0.638 1.00 . A A . 15 LYS HE2 1 1 3 822 1 1 15 LYS HE3 H 15.155 -4.559 0.023 1.00 . A A . 15 LYS HE3 1 1 3 823 1 1 15 LYS HG2 H 13.465 -1.499 1.008 1.00 . A A . 15 LYS HG2 1 1 3 824 1 1 15 LYS HG3 H 13.301 -3.094 1.743 1.00 . A A . 15 LYS HG3 1 1 3 825 1 1 15 LYS HZ1 H 15.773 -2.125 -1.561 1.00 . A A . 15 LYS HZ1 1 1 3 826 1 1 15 LYS HZ2 H 15.184 -3.559 -2.251 1.00 . A A . 15 LYS HZ2 1 1 3 827 1 1 15 LYS HZ3 H 16.690 -3.552 -1.464 1.00 . A A . 15 LYS HZ3 1 1 3 828 1 1 15 LYS N N 9.666 -0.872 1.086 1.00 . A A . 15 LYS N 1 1 3 829 1 1 15 LYS NZ N 15.727 -3.159 -1.459 1.00 . A A . 15 LYS NZ 1 1 3 830 1 1 15 LYS O O 12.353 0.160 -1.050 1.00 . A A . 15 LYS O 1 1 3 831 1 1 16 SER C C 10.741 1.451 -3.024 1.00 . A A . 16 SER C 1 1 3 832 1 1 16 SER CA C 10.478 -0.060 -2.979 1.00 . A A . 16 SER CA 1 1 3 833 1 1 16 SER CB C 9.143 -0.386 -3.645 1.00 . A A . 16 SER CB 1 1 3 834 1 1 16 SER H H 9.512 -0.983 -1.291 1.00 . A A . 16 SER H 1 1 3 835 1 1 16 SER HA H 11.271 -0.590 -3.473 1.00 . A A . 16 SER HA 1 1 3 836 1 1 16 SER HB2 H 8.348 -0.303 -2.923 1.00 . A A . 16 SER HB2 1 1 3 837 1 1 16 SER HB3 H 8.965 0.310 -4.454 1.00 . A A . 16 SER HB3 1 1 3 838 1 1 16 SER HG H 9.814 -1.744 -4.867 1.00 . A A . 16 SER HG 1 1 3 839 1 1 16 SER N N 10.336 -0.539 -1.573 1.00 . A A . 16 SER N 1 1 3 840 1 1 16 SER O O 11.156 1.982 -4.035 1.00 . A A . 16 SER O 1 1 3 841 1 1 16 SER OG O 9.181 -1.717 -4.147 1.00 . A A . 16 SER OG 1 1 3 842 1 1 17 PHE C C 12.153 3.947 -2.413 1.00 . A A . 17 PHE C 1 1 3 843 1 1 17 PHE CA C 10.731 3.624 -1.939 1.00 . A A . 17 PHE CA 1 1 3 844 1 1 17 PHE CB C 10.520 4.062 -0.482 1.00 . A A . 17 PHE CB 1 1 3 845 1 1 17 PHE CD1 C 12.871 4.236 0.425 1.00 . A A . 17 PHE CD1 1 1 3 846 1 1 17 PHE CD2 C 11.467 2.406 1.174 1.00 . A A . 17 PHE CD2 1 1 3 847 1 1 17 PHE CE1 C 13.911 3.771 1.238 1.00 . A A . 17 PHE CE1 1 1 3 848 1 1 17 PHE CE2 C 12.509 1.941 1.986 1.00 . A A . 17 PHE CE2 1 1 3 849 1 1 17 PHE CG C 11.647 3.554 0.393 1.00 . A A . 17 PHE CG 1 1 3 850 1 1 17 PHE CZ C 13.731 2.623 2.017 1.00 . A A . 17 PHE CZ 1 1 3 851 1 1 17 PHE H H 10.157 1.703 -1.144 1.00 . A A . 17 PHE H 1 1 3 852 1 1 17 PHE HA H 10.008 4.114 -2.573 1.00 . A A . 17 PHE HA 1 1 3 853 1 1 17 PHE HB2 H 10.492 5.141 -0.434 1.00 . A A . 17 PHE HB2 1 1 3 854 1 1 17 PHE HB3 H 9.583 3.666 -0.121 1.00 . A A . 17 PHE HB3 1 1 3 855 1 1 17 PHE HD1 H 13.011 5.121 -0.177 1.00 . A A . 17 PHE HD1 1 1 3 856 1 1 17 PHE HD2 H 10.524 1.879 1.149 1.00 . A A . 17 PHE HD2 1 1 3 857 1 1 17 PHE HE1 H 14.855 4.297 1.262 1.00 . A A . 17 PHE HE1 1 1 3 858 1 1 17 PHE HE2 H 12.370 1.056 2.588 1.00 . A A . 17 PHE HE2 1 1 3 859 1 1 17 PHE HZ H 14.534 2.264 2.644 1.00 . A A . 17 PHE HZ 1 1 3 860 1 1 17 PHE N N 10.498 2.147 -1.945 1.00 . A A . 17 PHE N 1 1 3 861 1 1 17 PHE O O 12.989 3.072 -2.521 1.00 . A A . 17 PHE O 1 1 3 862 1 1 18 NH2 HN1 H 13.369 5.400 -3.007 1.00 . A A . 18 NH2 HN1 1 1 3 863 1 1 18 NH2 HN2 H 11.791 5.889 -2.616 1.00 . A A . 18 NH2 HN2 1 1 3 864 1 1 18 NH2 N N 12.464 5.182 -2.702 1.00 . A A . 18 NH2 N 1 1 4 865 1 1 1 MET C C -12.982 0.635 5.758 1.00 . A A . 1 MET C 1 1 4 866 1 1 1 MET CA C -13.665 1.382 6.909 1.00 . A A . 1 MET CA 1 1 4 867 1 1 1 MET CB C -14.887 0.606 7.404 1.00 . A A . 1 MET CB 1 1 4 868 1 1 1 MET CE C -15.214 -1.372 10.983 1.00 . A A . 1 MET CE 1 1 4 869 1 1 1 MET CG C -14.501 -0.230 8.625 1.00 . A A . 1 MET CG 1 1 4 870 1 1 1 MET H1 H -14.921 2.515 5.692 1.00 . A A . 1 MET H1 1 1 4 871 1 1 1 MET H2 H -13.431 3.258 6.035 1.00 . A A . 1 MET H2 1 1 4 872 1 1 1 MET H3 H -14.645 3.193 7.222 1.00 . A A . 1 MET H3 1 1 4 873 1 1 1 MET HA H -12.973 1.537 7.722 1.00 . A A . 1 MET HA 1 1 4 874 1 1 1 MET HB2 H -15.669 1.300 7.675 1.00 . A A . 1 MET HB2 1 1 4 875 1 1 1 MET HB3 H -15.241 -0.047 6.621 1.00 . A A . 1 MET HB3 1 1 4 876 1 1 1 MET HE1 H -14.550 -2.198 10.774 1.00 . A A . 1 MET HE1 1 1 4 877 1 1 1 MET HE2 H -15.976 -1.683 11.685 1.00 . A A . 1 MET HE2 1 1 4 878 1 1 1 MET HE3 H -14.649 -0.558 11.407 1.00 . A A . 1 MET HE3 1 1 4 879 1 1 1 MET HG2 H -13.902 -1.072 8.310 1.00 . A A . 1 MET HG2 1 1 4 880 1 1 1 MET HG3 H -13.932 0.378 9.313 1.00 . A A . 1 MET HG3 1 1 4 881 1 1 1 MET N N -14.206 2.685 6.428 1.00 . A A . 1 MET N 1 1 4 882 1 1 1 MET O O -13.431 -0.411 5.332 1.00 . A A . 1 MET O 1 1 4 883 1 1 1 MET SD S -15.999 -0.829 9.445 1.00 . A A . 1 MET SD 1 1 4 884 1 1 2 ALA C C -9.676 0.672 4.271 1.00 . A A . 2 ALA C 1 1 4 885 1 1 2 ALA CA C -11.191 0.492 4.127 1.00 . A A . 2 ALA CA 1 1 4 886 1 1 2 ALA CB C -11.696 1.189 2.863 1.00 . A A . 2 ALA CB 1 1 4 887 1 1 2 ALA H H -11.559 2.013 5.609 1.00 . A A . 2 ALA H 1 1 4 888 1 1 2 ALA HA H -11.445 -0.556 4.096 1.00 . A A . 2 ALA HA 1 1 4 889 1 1 2 ALA HB1 H -10.976 1.928 2.547 1.00 . A A . 2 ALA HB1 1 1 4 890 1 1 2 ALA HB2 H -12.639 1.672 3.072 1.00 . A A . 2 ALA HB2 1 1 4 891 1 1 2 ALA HB3 H -11.832 0.459 2.079 1.00 . A A . 2 ALA HB3 1 1 4 892 1 1 2 ALA N N -11.902 1.169 5.251 1.00 . A A . 2 ALA N 1 1 4 893 1 1 2 ALA O O -9.205 1.690 4.739 1.00 . A A . 2 ALA O 1 1 4 894 1 1 3 THR C C -6.775 -0.439 2.623 1.00 . A A . 3 THR C 1 1 4 895 1 1 3 THR CA C -7.428 -0.202 3.985 1.00 . A A . 3 THR CA 1 1 4 896 1 1 3 THR CB C -7.019 -1.294 4.978 1.00 . A A . 3 THR CB 1 1 4 897 1 1 3 THR CG2 C -7.487 -2.659 4.468 1.00 . A A . 3 THR CG2 1 1 4 898 1 1 3 THR H H -9.315 -1.123 3.500 1.00 . A A . 3 THR H 1 1 4 899 1 1 3 THR HA H -7.149 0.766 4.367 1.00 . A A . 3 THR HA 1 1 4 900 1 1 3 THR HB H -7.474 -1.099 5.936 1.00 . A A . 3 THR HB 1 1 4 901 1 1 3 THR HG1 H -5.226 -1.622 4.297 1.00 . A A . 3 THR HG1 1 1 4 902 1 1 3 THR HG21 H -8.562 -2.728 4.554 1.00 . A A . 3 THR HG21 1 1 4 903 1 1 3 THR HG22 H -7.027 -3.441 5.057 1.00 . A A . 3 THR HG22 1 1 4 904 1 1 3 THR HG23 H -7.200 -2.775 3.433 1.00 . A A . 3 THR HG23 1 1 4 905 1 1 3 THR N N -8.912 -0.312 3.873 1.00 . A A . 3 THR N 1 1 4 906 1 1 3 THR O O -5.791 -1.145 2.509 1.00 . A A . 3 THR O 1 1 4 907 1 1 3 THR OG1 O -5.604 -1.298 5.117 1.00 . A A . 3 THR OG1 1 1 4 908 1 1 4 LEU C C -5.410 0.726 0.127 1.00 . A A . 4 LEU C 1 1 4 909 1 1 4 LEU CA C -6.727 -0.040 0.235 1.00 . A A . 4 LEU CA 1 1 4 910 1 1 4 LEU CB C -7.765 0.521 -0.739 1.00 . A A . 4 LEU CB 1 1 4 911 1 1 4 LEU CD1 C -9.969 -0.279 -1.612 1.00 . A A . 4 LEU CD1 1 1 4 912 1 1 4 LEU CD2 C -7.859 -0.872 -2.813 1.00 . A A . 4 LEU CD2 1 1 4 913 1 1 4 LEU CG C -8.490 -0.633 -1.438 1.00 . A A . 4 LEU CG 1 1 4 914 1 1 4 LEU H H -8.103 0.711 1.706 1.00 . A A . 4 LEU H 1 1 4 915 1 1 4 LEU HA H -6.565 -1.086 0.045 1.00 . A A . 4 LEU HA 1 1 4 916 1 1 4 LEU HB2 H -8.482 1.120 -0.195 1.00 . A A . 4 LEU HB2 1 1 4 917 1 1 4 LEU HB3 H -7.272 1.135 -1.478 1.00 . A A . 4 LEU HB3 1 1 4 918 1 1 4 LEU HD11 H -10.260 0.431 -0.853 1.00 . A A . 4 LEU HD11 1 1 4 919 1 1 4 LEU HD12 H -10.566 -1.175 -1.515 1.00 . A A . 4 LEU HD12 1 1 4 920 1 1 4 LEU HD13 H -10.123 0.153 -2.589 1.00 . A A . 4 LEU HD13 1 1 4 921 1 1 4 LEU HD21 H -8.428 -0.349 -3.567 1.00 . A A . 4 LEU HD21 1 1 4 922 1 1 4 LEU HD22 H -7.860 -1.930 -3.030 1.00 . A A . 4 LEU HD22 1 1 4 923 1 1 4 LEU HD23 H -6.843 -0.505 -2.812 1.00 . A A . 4 LEU HD23 1 1 4 924 1 1 4 LEU HG H -8.402 -1.528 -0.839 1.00 . A A . 4 LEU HG 1 1 4 925 1 1 4 LEU N N -7.314 0.147 1.590 1.00 . A A . 4 LEU N 1 1 4 926 1 1 4 LEU O O -4.385 0.161 -0.199 1.00 . A A . 4 LEU O 1 1 4 927 1 1 5 GLU C C -3.105 2.140 1.227 1.00 . A A . 5 GLU C 1 1 4 928 1 1 5 GLU CA C -4.150 2.782 0.322 1.00 . A A . 5 GLU CA 1 1 4 929 1 1 5 GLU CB C -4.499 4.193 0.801 1.00 . A A . 5 GLU CB 1 1 4 930 1 1 5 GLU CD C -4.549 5.883 -1.042 1.00 . A A . 5 GLU CD 1 1 4 931 1 1 5 GLU CG C -3.672 5.220 0.021 1.00 . A A . 5 GLU CG 1 1 4 932 1 1 5 GLU H H -6.250 2.444 0.674 1.00 . A A . 5 GLU H 1 1 4 933 1 1 5 GLU HA H -3.794 2.804 -0.692 1.00 . A A . 5 GLU HA 1 1 4 934 1 1 5 GLU HB2 H -5.550 4.378 0.640 1.00 . A A . 5 GLU HB2 1 1 4 935 1 1 5 GLU HB3 H -4.275 4.282 1.854 1.00 . A A . 5 GLU HB3 1 1 4 936 1 1 5 GLU HG2 H -3.298 5.971 0.701 1.00 . A A . 5 GLU HG2 1 1 4 937 1 1 5 GLU HG3 H -2.841 4.724 -0.460 1.00 . A A . 5 GLU HG3 1 1 4 938 1 1 5 GLU N N -5.418 2.003 0.405 1.00 . A A . 5 GLU N 1 1 4 939 1 1 5 GLU O O -1.936 2.077 0.899 1.00 . A A . 5 GLU O 1 1 4 940 1 1 5 GLU OE1 O -5.662 6.262 -0.712 1.00 . A A . 5 GLU OE1 1 1 4 941 1 1 5 GLU OE2 O -4.095 6.004 -2.168 1.00 . A A . 5 GLU OE2 1 1 4 942 1 1 6 LYS C C -1.986 -0.274 2.547 1.00 . A A . 6 LYS C 1 1 4 943 1 1 6 LYS CA C -2.565 0.953 3.258 1.00 . A A . 6 LYS CA 1 1 4 944 1 1 6 LYS CB C -3.390 0.532 4.475 1.00 . A A . 6 LYS CB 1 1 4 945 1 1 6 LYS CD C -4.554 1.484 6.471 1.00 . A A . 6 LYS CD 1 1 4 946 1 1 6 LYS CE C -4.328 2.331 7.725 1.00 . A A . 6 LYS CE 1 1 4 947 1 1 6 LYS CG C -3.364 1.647 5.523 1.00 . A A . 6 LYS CG 1 1 4 948 1 1 6 LYS H H -4.475 1.668 2.584 1.00 . A A . 6 LYS H 1 1 4 949 1 1 6 LYS HA H -1.783 1.631 3.553 1.00 . A A . 6 LYS HA 1 1 4 950 1 1 6 LYS HB2 H -4.409 0.344 4.171 1.00 . A A . 6 LYS HB2 1 1 4 951 1 1 6 LYS HB3 H -2.970 -0.368 4.900 1.00 . A A . 6 LYS HB3 1 1 4 952 1 1 6 LYS HD2 H -5.457 1.808 5.973 1.00 . A A . 6 LYS HD2 1 1 4 953 1 1 6 LYS HD3 H -4.650 0.447 6.753 1.00 . A A . 6 LYS HD3 1 1 4 954 1 1 6 LYS HE2 H -3.274 2.534 7.856 1.00 . A A . 6 LYS HE2 1 1 4 955 1 1 6 LYS HE3 H -4.885 3.254 7.662 1.00 . A A . 6 LYS HE3 1 1 4 956 1 1 6 LYS HG2 H -2.443 1.591 6.085 1.00 . A A . 6 LYS HG2 1 1 4 957 1 1 6 LYS HG3 H -3.428 2.606 5.030 1.00 . A A . 6 LYS HG3 1 1 4 958 1 1 6 LYS HZ1 H -4.209 0.689 8.998 1.00 . A A . 6 LYS HZ1 1 1 4 959 1 1 6 LYS HZ2 H -5.795 1.153 8.615 1.00 . A A . 6 LYS HZ2 1 1 4 960 1 1 6 LYS HZ3 H -4.885 2.075 9.714 1.00 . A A . 6 LYS HZ3 1 1 4 961 1 1 6 LYS N N -3.526 1.629 2.351 1.00 . A A . 6 LYS N 1 1 4 962 1 1 6 LYS NZ N -4.843 1.500 8.848 1.00 . A A . 6 LYS NZ 1 1 4 963 1 1 6 LYS O O -0.992 -0.836 2.965 1.00 . A A . 6 LYS O 1 1 4 964 1 1 7 LEU C C -1.203 -1.408 -0.437 1.00 . A A . 7 LEU C 1 1 4 965 1 1 7 LEU CA C -2.099 -1.869 0.721 1.00 . A A . 7 LEU CA 1 1 4 966 1 1 7 LEU CB C -3.368 -2.594 0.231 1.00 . A A . 7 LEU CB 1 1 4 967 1 1 7 LEU CD1 C -2.835 -3.260 -2.123 1.00 . A A . 7 LEU CD1 1 1 4 968 1 1 7 LEU CD2 C -5.137 -2.482 -1.536 1.00 . A A . 7 LEU CD2 1 1 4 969 1 1 7 LEU CG C -3.643 -2.298 -1.250 1.00 . A A . 7 LEU CG 1 1 4 970 1 1 7 LEU H H -3.402 -0.224 1.144 1.00 . A A . 7 LEU H 1 1 4 971 1 1 7 LEU HA H -1.549 -2.508 1.385 1.00 . A A . 7 LEU HA 1 1 4 972 1 1 7 LEU HB2 H -3.243 -3.657 0.362 1.00 . A A . 7 LEU HB2 1 1 4 973 1 1 7 LEU HB3 H -4.213 -2.263 0.819 1.00 . A A . 7 LEU HB3 1 1 4 974 1 1 7 LEU HD11 H -2.540 -4.118 -1.537 1.00 . A A . 7 LEU HD11 1 1 4 975 1 1 7 LEU HD12 H -1.955 -2.757 -2.493 1.00 . A A . 7 LEU HD12 1 1 4 976 1 1 7 LEU HD13 H -3.440 -3.585 -2.957 1.00 . A A . 7 LEU HD13 1 1 4 977 1 1 7 LEU HD21 H -5.263 -3.030 -2.458 1.00 . A A . 7 LEU HD21 1 1 4 978 1 1 7 LEU HD22 H -5.606 -1.514 -1.625 1.00 . A A . 7 LEU HD22 1 1 4 979 1 1 7 LEU HD23 H -5.595 -3.030 -0.726 1.00 . A A . 7 LEU HD23 1 1 4 980 1 1 7 LEU HG H -3.355 -1.284 -1.474 1.00 . A A . 7 LEU HG 1 1 4 981 1 1 7 LEU N N -2.604 -0.690 1.466 1.00 . A A . 7 LEU N 1 1 4 982 1 1 7 LEU O O -0.314 -2.114 -0.870 1.00 . A A . 7 LEU O 1 1 4 983 1 1 8 MET C C 0.638 0.988 -1.518 1.00 . A A . 8 MET C 1 1 4 984 1 1 8 MET CA C -0.616 0.301 -2.060 1.00 . A A . 8 MET CA 1 1 4 985 1 1 8 MET CB C -1.516 1.312 -2.772 1.00 . A A . 8 MET CB 1 1 4 986 1 1 8 MET CE C -0.960 1.005 -6.841 1.00 . A A . 8 MET CE 1 1 4 987 1 1 8 MET CG C -0.986 1.565 -4.185 1.00 . A A . 8 MET CG 1 1 4 988 1 1 8 MET H H -2.158 0.325 -0.573 1.00 . A A . 8 MET H 1 1 4 989 1 1 8 MET HA H -0.353 -0.495 -2.730 1.00 . A A . 8 MET HA 1 1 4 990 1 1 8 MET HB2 H -2.522 0.922 -2.827 1.00 . A A . 8 MET HB2 1 1 4 991 1 1 8 MET HB3 H -1.522 2.241 -2.220 1.00 . A A . 8 MET HB3 1 1 4 992 1 1 8 MET HE1 H -1.696 1.567 -7.400 1.00 . A A . 8 MET HE1 1 1 4 993 1 1 8 MET HE2 H -0.600 0.180 -7.439 1.00 . A A . 8 MET HE2 1 1 4 994 1 1 8 MET HE3 H -0.134 1.649 -6.588 1.00 . A A . 8 MET HE3 1 1 4 995 1 1 8 MET HG2 H -1.250 2.564 -4.495 1.00 . A A . 8 MET HG2 1 1 4 996 1 1 8 MET HG3 H 0.089 1.458 -4.190 1.00 . A A . 8 MET HG3 1 1 4 997 1 1 8 MET N N -1.438 -0.221 -0.937 1.00 . A A . 8 MET N 1 1 4 998 1 1 8 MET O O 1.750 0.620 -1.845 1.00 . A A . 8 MET O 1 1 4 999 1 1 8 MET SD S -1.716 0.365 -5.327 1.00 . A A . 8 MET SD 1 1 4 1000 1 1 9 LYS C C 2.608 1.691 0.536 1.00 . A A . 9 LYS C 1 1 4 1001 1 1 9 LYS CA C 1.650 2.694 -0.116 1.00 . A A . 9 LYS CA 1 1 4 1002 1 1 9 LYS CB C 1.078 3.649 0.936 1.00 . A A . 9 LYS CB 1 1 4 1003 1 1 9 LYS CD C -0.059 5.555 -0.216 1.00 . A A . 9 LYS CD 1 1 4 1004 1 1 9 LYS CE C 0.277 6.415 -1.436 1.00 . A A . 9 LYS CE 1 1 4 1005 1 1 9 LYS CG C 1.236 5.094 0.458 1.00 . A A . 9 LYS CG 1 1 4 1006 1 1 9 LYS H H -0.438 2.260 -0.434 1.00 . A A . 9 LYS H 1 1 4 1007 1 1 9 LYS HA H 2.158 3.254 -0.885 1.00 . A A . 9 LYS HA 1 1 4 1008 1 1 9 LYS HB2 H 0.031 3.432 1.088 1.00 . A A . 9 LYS HB2 1 1 4 1009 1 1 9 LYS HB3 H 1.610 3.520 1.867 1.00 . A A . 9 LYS HB3 1 1 4 1010 1 1 9 LYS HD2 H -0.630 4.693 -0.528 1.00 . A A . 9 LYS HD2 1 1 4 1011 1 1 9 LYS HD3 H -0.640 6.138 0.484 1.00 . A A . 9 LYS HD3 1 1 4 1012 1 1 9 LYS HE2 H 0.930 5.874 -2.107 1.00 . A A . 9 LYS HE2 1 1 4 1013 1 1 9 LYS HE3 H -0.626 6.714 -1.946 1.00 . A A . 9 LYS HE3 1 1 4 1014 1 1 9 LYS HG2 H 1.450 5.731 1.304 1.00 . A A . 9 LYS HG2 1 1 4 1015 1 1 9 LYS HG3 H 2.048 5.152 -0.251 1.00 . A A . 9 LYS HG3 1 1 4 1016 1 1 9 LYS HZ1 H 0.388 8.036 -0.136 1.00 . A A . 9 LYS HZ1 1 1 4 1017 1 1 9 LYS HZ2 H 1.118 8.307 -1.642 1.00 . A A . 9 LYS HZ2 1 1 4 1018 1 1 9 LYS HZ3 H 1.890 7.327 -0.490 1.00 . A A . 9 LYS HZ3 1 1 4 1019 1 1 9 LYS N N 0.467 1.982 -0.686 1.00 . A A . 9 LYS N 1 1 4 1020 1 1 9 LYS NZ N 0.971 7.612 -0.884 1.00 . A A . 9 LYS NZ 1 1 4 1021 1 1 9 LYS O O 3.788 1.943 0.668 1.00 . A A . 9 LYS O 1 1 4 1022 1 1 10 ALA C C 3.886 -1.117 0.541 1.00 . A A . 10 ALA C 1 1 4 1023 1 1 10 ALA CA C 2.980 -0.461 1.586 1.00 . A A . 10 ALA CA 1 1 4 1024 1 1 10 ALA CB C 2.020 -1.491 2.184 1.00 . A A . 10 ALA CB 1 1 4 1025 1 1 10 ALA H H 1.152 0.376 0.831 1.00 . A A . 10 ALA H 1 1 4 1026 1 1 10 ALA HA H 3.568 -0.010 2.365 1.00 . A A . 10 ALA HA 1 1 4 1027 1 1 10 ALA HB1 H 2.539 -2.427 2.330 1.00 . A A . 10 ALA HB1 1 1 4 1028 1 1 10 ALA HB2 H 1.189 -1.643 1.511 1.00 . A A . 10 ALA HB2 1 1 4 1029 1 1 10 ALA HB3 H 1.652 -1.133 3.134 1.00 . A A . 10 ALA HB3 1 1 4 1030 1 1 10 ALA N N 2.104 0.557 0.944 1.00 . A A . 10 ALA N 1 1 4 1031 1 1 10 ALA O O 5.042 -1.388 0.792 1.00 . A A . 10 ALA O 1 1 4 1032 1 1 11 PHE C C 5.231 -1.032 -2.231 1.00 . A A . 11 PHE C 1 1 4 1033 1 1 11 PHE CA C 4.200 -2.023 -1.682 1.00 . A A . 11 PHE CA 1 1 4 1034 1 1 11 PHE CB C 3.206 -2.428 -2.774 1.00 . A A . 11 PHE CB 1 1 4 1035 1 1 11 PHE CD1 C 2.247 -3.912 -0.943 1.00 . A A . 11 PHE CD1 1 1 4 1036 1 1 11 PHE CD2 C 0.956 -3.546 -2.964 1.00 . A A . 11 PHE CD2 1 1 4 1037 1 1 11 PHE CE1 C 1.226 -4.728 -0.439 1.00 . A A . 11 PHE CE1 1 1 4 1038 1 1 11 PHE CE2 C -0.064 -4.363 -2.459 1.00 . A A . 11 PHE CE2 1 1 4 1039 1 1 11 PHE CG C 2.112 -3.319 -2.209 1.00 . A A . 11 PHE CG 1 1 4 1040 1 1 11 PHE CZ C 0.072 -4.952 -1.197 1.00 . A A . 11 PHE CZ 1 1 4 1041 1 1 11 PHE H H 2.433 -1.159 -0.814 1.00 . A A . 11 PHE H 1 1 4 1042 1 1 11 PHE HA H 4.693 -2.897 -1.289 1.00 . A A . 11 PHE HA 1 1 4 1043 1 1 11 PHE HB2 H 2.758 -1.537 -3.189 1.00 . A A . 11 PHE HB2 1 1 4 1044 1 1 11 PHE HB3 H 3.731 -2.958 -3.552 1.00 . A A . 11 PHE HB3 1 1 4 1045 1 1 11 PHE HD1 H 3.137 -3.741 -0.357 1.00 . A A . 11 PHE HD1 1 1 4 1046 1 1 11 PHE HD2 H 0.848 -3.092 -3.937 1.00 . A A . 11 PHE HD2 1 1 4 1047 1 1 11 PHE HE1 H 1.329 -5.181 0.535 1.00 . A A . 11 PHE HE1 1 1 4 1048 1 1 11 PHE HE2 H -0.954 -4.536 -3.043 1.00 . A A . 11 PHE HE2 1 1 4 1049 1 1 11 PHE HZ H -0.716 -5.581 -0.808 1.00 . A A . 11 PHE HZ 1 1 4 1050 1 1 11 PHE N N 3.369 -1.380 -0.628 1.00 . A A . 11 PHE N 1 1 4 1051 1 1 11 PHE O O 6.134 -1.402 -2.956 1.00 . A A . 11 PHE O 1 1 4 1052 1 1 12 GLU C C 6.856 1.857 -1.247 1.00 . A A . 12 GLU C 1 1 4 1053 1 1 12 GLU CA C 6.071 1.238 -2.406 1.00 . A A . 12 GLU CA 1 1 4 1054 1 1 12 GLU CB C 5.200 2.302 -3.077 1.00 . A A . 12 GLU CB 1 1 4 1055 1 1 12 GLU CD C 6.880 2.752 -4.871 1.00 . A A . 12 GLU CD 1 1 4 1056 1 1 12 GLU CG C 5.448 2.297 -4.586 1.00 . A A . 12 GLU CG 1 1 4 1057 1 1 12 GLU H H 4.364 0.503 -1.316 1.00 . A A . 12 GLU H 1 1 4 1058 1 1 12 GLU HA H 6.740 0.797 -3.127 1.00 . A A . 12 GLU HA 1 1 4 1059 1 1 12 GLU HB2 H 4.159 2.089 -2.883 1.00 . A A . 12 GLU HB2 1 1 4 1060 1 1 12 GLU HB3 H 5.449 3.272 -2.676 1.00 . A A . 12 GLU HB3 1 1 4 1061 1 1 12 GLU HG2 H 5.302 1.298 -4.972 1.00 . A A . 12 GLU HG2 1 1 4 1062 1 1 12 GLU HG3 H 4.756 2.973 -5.062 1.00 . A A . 12 GLU HG3 1 1 4 1063 1 1 12 GLU N N 5.101 0.223 -1.897 1.00 . A A . 12 GLU N 1 1 4 1064 1 1 12 GLU O O 8.048 2.067 -1.332 1.00 . A A . 12 GLU O 1 1 4 1065 1 1 12 GLU OE1 O 7.153 3.929 -4.697 1.00 . A A . 12 GLU OE1 1 1 4 1066 1 1 12 GLU OE2 O 7.680 1.916 -5.258 1.00 . A A . 12 GLU OE2 1 1 4 1067 1 1 13 SER C C 7.520 1.729 1.882 1.00 . A A . 13 SER C 1 1 4 1068 1 1 13 SER CA C 6.878 2.790 0.989 1.00 . A A . 13 SER CA 1 1 4 1069 1 1 13 SER CB C 5.780 3.535 1.748 1.00 . A A . 13 SER CB 1 1 4 1070 1 1 13 SER H H 5.226 1.998 -0.135 1.00 . A A . 13 SER H 1 1 4 1071 1 1 13 SER HA H 7.615 3.482 0.644 1.00 . A A . 13 SER HA 1 1 4 1072 1 1 13 SER HB2 H 5.142 2.827 2.249 1.00 . A A . 13 SER HB2 1 1 4 1073 1 1 13 SER HB3 H 6.232 4.190 2.481 1.00 . A A . 13 SER HB3 1 1 4 1074 1 1 13 SER HG H 5.504 5.084 0.602 1.00 . A A . 13 SER HG 1 1 4 1075 1 1 13 SER N N 6.186 2.165 -0.172 1.00 . A A . 13 SER N 1 1 4 1076 1 1 13 SER O O 8.503 1.981 2.551 1.00 . A A . 13 SER O 1 1 4 1077 1 1 13 SER OG O 5.007 4.295 0.829 1.00 . A A . 13 SER OG 1 1 4 1078 1 1 14 LEU C C 8.629 -1.298 2.024 1.00 . A A . 14 LEU C 1 1 4 1079 1 1 14 LEU CA C 7.536 -0.521 2.767 1.00 . A A . 14 LEU CA 1 1 4 1080 1 1 14 LEU CB C 6.358 -1.437 3.098 1.00 . A A . 14 LEU CB 1 1 4 1081 1 1 14 LEU CD1 C 6.279 -0.805 5.515 1.00 . A A . 14 LEU CD1 1 1 4 1082 1 1 14 LEU CD2 C 5.456 -3.046 4.781 1.00 . A A . 14 LEU CD2 1 1 4 1083 1 1 14 LEU CG C 6.500 -1.955 4.530 1.00 . A A . 14 LEU CG 1 1 4 1084 1 1 14 LEU H H 6.173 0.378 1.369 1.00 . A A . 14 LEU H 1 1 4 1085 1 1 14 LEU HA H 7.928 -0.095 3.670 1.00 . A A . 14 LEU HA 1 1 4 1086 1 1 14 LEU HB2 H 5.435 -0.883 3.005 1.00 . A A . 14 LEU HB2 1 1 4 1087 1 1 14 LEU HB3 H 6.347 -2.272 2.415 1.00 . A A . 14 LEU HB3 1 1 4 1088 1 1 14 LEU HD11 H 7.233 -0.368 5.776 1.00 . A A . 14 LEU HD11 1 1 4 1089 1 1 14 LEU HD12 H 5.799 -1.180 6.406 1.00 . A A . 14 LEU HD12 1 1 4 1090 1 1 14 LEU HD13 H 5.653 -0.055 5.056 1.00 . A A . 14 LEU HD13 1 1 4 1091 1 1 14 LEU HD21 H 5.859 -3.780 5.463 1.00 . A A . 14 LEU HD21 1 1 4 1092 1 1 14 LEU HD22 H 5.203 -3.523 3.847 1.00 . A A . 14 LEU HD22 1 1 4 1093 1 1 14 LEU HD23 H 4.570 -2.603 5.212 1.00 . A A . 14 LEU HD23 1 1 4 1094 1 1 14 LEU HG H 7.490 -2.363 4.669 1.00 . A A . 14 LEU HG 1 1 4 1095 1 1 14 LEU N N 6.967 0.552 1.907 1.00 . A A . 14 LEU N 1 1 4 1096 1 1 14 LEU O O 9.473 -1.925 2.635 1.00 . A A . 14 LEU O 1 1 4 1097 1 1 15 LYS C C 10.518 -1.061 -0.884 1.00 . A A . 15 LYS C 1 1 4 1098 1 1 15 LYS CA C 9.665 -2.017 -0.045 1.00 . A A . 15 LYS CA 1 1 4 1099 1 1 15 LYS CB C 8.890 -2.974 -0.950 1.00 . A A . 15 LYS CB 1 1 4 1100 1 1 15 LYS CD C 9.111 -4.715 -2.726 1.00 . A A . 15 LYS CD 1 1 4 1101 1 1 15 LYS CE C 9.985 -5.907 -3.125 1.00 . A A . 15 LYS CE 1 1 4 1102 1 1 15 LYS CG C 9.879 -3.823 -1.751 1.00 . A A . 15 LYS CG 1 1 4 1103 1 1 15 LYS H H 7.932 -0.765 0.238 1.00 . A A . 15 LYS H 1 1 4 1104 1 1 15 LYS HA H 10.290 -2.580 0.630 1.00 . A A . 15 LYS HA 1 1 4 1105 1 1 15 LYS HB2 H 8.267 -3.616 -0.345 1.00 . A A . 15 LYS HB2 1 1 4 1106 1 1 15 LYS HB3 H 8.273 -2.406 -1.630 1.00 . A A . 15 LYS HB3 1 1 4 1107 1 1 15 LYS HD2 H 8.208 -5.073 -2.251 1.00 . A A . 15 LYS HD2 1 1 4 1108 1 1 15 LYS HD3 H 8.854 -4.147 -3.607 1.00 . A A . 15 LYS HD3 1 1 4 1109 1 1 15 LYS HE2 H 9.600 -6.369 -4.026 1.00 . A A . 15 LYS HE2 1 1 4 1110 1 1 15 LYS HE3 H 11.007 -5.593 -3.269 1.00 . A A . 15 LYS HE3 1 1 4 1111 1 1 15 LYS HG2 H 10.546 -3.174 -2.300 1.00 . A A . 15 LYS HG2 1 1 4 1112 1 1 15 LYS HG3 H 10.453 -4.439 -1.074 1.00 . A A . 15 LYS HG3 1 1 4 1113 1 1 15 LYS HZ1 H 10.321 -7.762 -2.243 1.00 . A A . 15 LYS HZ1 1 1 4 1114 1 1 15 LYS HZ2 H 8.900 -6.996 -1.722 1.00 . A A . 15 LYS HZ2 1 1 4 1115 1 1 15 LYS HZ3 H 10.411 -6.453 -1.163 1.00 . A A . 15 LYS HZ3 1 1 4 1116 1 1 15 LYS N N 8.622 -1.270 0.717 1.00 . A A . 15 LYS N 1 1 4 1117 1 1 15 LYS NZ N 9.897 -6.850 -1.977 1.00 . A A . 15 LYS NZ 1 1 4 1118 1 1 15 LYS O O 11.684 -1.309 -1.124 1.00 . A A . 15 LYS O 1 1 4 1119 1 1 16 SER C C 11.174 2.174 -1.311 1.00 . A A . 16 SER C 1 1 4 1120 1 1 16 SER CA C 10.738 0.981 -2.161 1.00 . A A . 16 SER CA 1 1 4 1121 1 1 16 SER CB C 9.793 1.424 -3.279 1.00 . A A . 16 SER CB 1 1 4 1122 1 1 16 SER H H 9.016 0.206 -1.144 1.00 . A A . 16 SER H 1 1 4 1123 1 1 16 SER HA H 11.589 0.488 -2.575 1.00 . A A . 16 SER HA 1 1 4 1124 1 1 16 SER HB2 H 8.958 0.747 -3.336 1.00 . A A . 16 SER HB2 1 1 4 1125 1 1 16 SER HB3 H 9.432 2.422 -3.067 1.00 . A A . 16 SER HB3 1 1 4 1126 1 1 16 SER HG H 11.291 1.934 -4.410 1.00 . A A . 16 SER HG 1 1 4 1127 1 1 16 SER N N 9.951 0.024 -1.339 1.00 . A A . 16 SER N 1 1 4 1128 1 1 16 SER O O 12.211 2.763 -1.545 1.00 . A A . 16 SER O 1 1 4 1129 1 1 16 SER OG O 10.492 1.411 -4.516 1.00 . A A . 16 SER OG 1 1 4 1130 1 1 17 PHE C C 11.639 4.693 -0.109 1.00 . A A . 17 PHE C 1 1 4 1131 1 1 17 PHE CA C 10.713 3.680 0.579 1.00 . A A . 17 PHE CA 1 1 4 1132 1 1 17 PHE CB C 11.401 3.075 1.817 1.00 . A A . 17 PHE CB 1 1 4 1133 1 1 17 PHE CD1 C 13.303 1.794 0.759 1.00 . A A . 17 PHE CD1 1 1 4 1134 1 1 17 PHE CD2 C 11.538 0.557 1.869 1.00 . A A . 17 PHE CD2 1 1 4 1135 1 1 17 PHE CE1 C 13.946 0.591 0.444 1.00 . A A . 17 PHE CE1 1 1 4 1136 1 1 17 PHE CE2 C 12.182 -0.646 1.555 1.00 . A A . 17 PHE CE2 1 1 4 1137 1 1 17 PHE CG C 12.098 1.777 1.471 1.00 . A A . 17 PHE CG 1 1 4 1138 1 1 17 PHE CZ C 13.386 -0.628 0.842 1.00 . A A . 17 PHE CZ 1 1 4 1139 1 1 17 PHE H H 9.563 2.013 -0.176 1.00 . A A . 17 PHE H 1 1 4 1140 1 1 17 PHE HA H 9.803 4.170 0.883 1.00 . A A . 17 PHE HA 1 1 4 1141 1 1 17 PHE HB2 H 12.127 3.777 2.197 1.00 . A A . 17 PHE HB2 1 1 4 1142 1 1 17 PHE HB3 H 10.658 2.888 2.578 1.00 . A A . 17 PHE HB3 1 1 4 1143 1 1 17 PHE HD1 H 13.736 2.734 0.451 1.00 . A A . 17 PHE HD1 1 1 4 1144 1 1 17 PHE HD2 H 10.608 0.544 2.418 1.00 . A A . 17 PHE HD2 1 1 4 1145 1 1 17 PHE HE1 H 14.875 0.603 -0.108 1.00 . A A . 17 PHE HE1 1 1 4 1146 1 1 17 PHE HE2 H 11.748 -1.588 1.860 1.00 . A A . 17 PHE HE2 1 1 4 1147 1 1 17 PHE HZ H 13.884 -1.556 0.598 1.00 . A A . 17 PHE HZ 1 1 4 1148 1 1 17 PHE N N 10.384 2.522 -0.326 1.00 . A A . 17 PHE N 1 1 4 1149 1 1 17 PHE O O 12.740 4.940 0.344 1.00 . A A . 17 PHE O 1 1 4 1150 1 1 18 NH2 HN1 H 11.813 5.944 -1.640 1.00 . A A . 18 NH2 HN1 1 1 4 1151 1 1 18 NH2 HN2 H 10.345 5.097 -1.558 1.00 . A A . 18 NH2 HN2 1 1 4 1152 1 1 18 NH2 N N 11.233 5.294 -1.192 1.00 . A A . 18 NH2 N 1 1 5 1153 1 1 1 MET C C -12.306 2.201 2.352 1.00 . A A . 1 MET C 1 1 5 1154 1 1 1 MET CA C -13.083 1.474 1.251 1.00 . A A . 1 MET CA 1 1 5 1155 1 1 1 MET CB C -14.512 2.012 1.159 1.00 . A A . 1 MET CB 1 1 5 1156 1 1 1 MET CE C -16.052 5.618 0.166 1.00 . A A . 1 MET CE 1 1 5 1157 1 1 1 MET CG C -14.484 3.454 0.651 1.00 . A A . 1 MET CG 1 1 5 1158 1 1 1 MET H1 H -13.573 -0.060 2.572 1.00 . A A . 1 MET H1 1 1 5 1159 1 1 1 MET H2 H -12.315 -0.446 1.497 1.00 . A A . 1 MET H2 1 1 5 1160 1 1 1 MET H3 H -13.923 -0.408 0.950 1.00 . A A . 1 MET H3 1 1 5 1161 1 1 1 MET HA H -12.586 1.587 0.300 1.00 . A A . 1 MET HA 1 1 5 1162 1 1 1 MET HB2 H -15.084 1.399 0.476 1.00 . A A . 1 MET HB2 1 1 5 1163 1 1 1 MET HB3 H -14.971 1.986 2.136 1.00 . A A . 1 MET HB3 1 1 5 1164 1 1 1 MET HE1 H -16.823 5.851 0.887 1.00 . A A . 1 MET HE1 1 1 5 1165 1 1 1 MET HE2 H -16.238 6.154 -0.755 1.00 . A A . 1 MET HE2 1 1 5 1166 1 1 1 MET HE3 H -15.092 5.911 0.562 1.00 . A A . 1 MET HE3 1 1 5 1167 1 1 1 MET HG2 H -14.337 4.127 1.484 1.00 . A A . 1 MET HG2 1 1 5 1168 1 1 1 MET HG3 H -13.675 3.572 -0.054 1.00 . A A . 1 MET HG3 1 1 5 1169 1 1 1 MET N N -13.235 0.031 1.593 1.00 . A A . 1 MET N 1 1 5 1170 1 1 1 MET O O -12.622 3.317 2.715 1.00 . A A . 1 MET O 1 1 5 1171 1 1 1 MET SD S -16.055 3.838 -0.162 1.00 . A A . 1 MET SD 1 1 5 1172 1 1 2 ALA C C -9.115 1.565 4.074 1.00 . A A . 2 ALA C 1 1 5 1173 1 1 2 ALA CA C -10.492 2.226 3.963 1.00 . A A . 2 ALA CA 1 1 5 1174 1 1 2 ALA CB C -11.298 2.005 5.243 1.00 . A A . 2 ALA CB 1 1 5 1175 1 1 2 ALA H H -11.055 0.674 2.577 1.00 . A A . 2 ALA H 1 1 5 1176 1 1 2 ALA HA H -10.390 3.282 3.770 1.00 . A A . 2 ALA HA 1 1 5 1177 1 1 2 ALA HB1 H -10.624 1.838 6.069 1.00 . A A . 2 ALA HB1 1 1 5 1178 1 1 2 ALA HB2 H -11.938 1.142 5.121 1.00 . A A . 2 ALA HB2 1 1 5 1179 1 1 2 ALA HB3 H -11.904 2.877 5.442 1.00 . A A . 2 ALA HB3 1 1 5 1180 1 1 2 ALA N N -11.292 1.574 2.886 1.00 . A A . 2 ALA N 1 1 5 1181 1 1 2 ALA O O -8.107 2.232 4.205 1.00 . A A . 2 ALA O 1 1 5 1182 1 1 3 THR C C -7.212 -0.763 2.736 1.00 . A A . 3 THR C 1 1 5 1183 1 1 3 THR CA C -7.754 -0.443 4.129 1.00 . A A . 3 THR CA 1 1 5 1184 1 1 3 THR CB C -8.052 -1.729 4.902 1.00 . A A . 3 THR CB 1 1 5 1185 1 1 3 THR CG2 C -6.740 -2.379 5.342 1.00 . A A . 3 THR CG2 1 1 5 1186 1 1 3 THR H H -9.892 -0.256 3.921 1.00 . A A . 3 THR H 1 1 5 1187 1 1 3 THR HA H -7.047 0.161 4.675 1.00 . A A . 3 THR HA 1 1 5 1188 1 1 3 THR HB H -8.593 -2.413 4.266 1.00 . A A . 3 THR HB 1 1 5 1189 1 1 3 THR HG1 H -8.367 -0.761 6.560 1.00 . A A . 3 THR HG1 1 1 5 1190 1 1 3 THR HG21 H -6.055 -1.615 5.678 1.00 . A A . 3 THR HG21 1 1 5 1191 1 1 3 THR HG22 H -6.305 -2.912 4.509 1.00 . A A . 3 THR HG22 1 1 5 1192 1 1 3 THR HG23 H -6.933 -3.070 6.149 1.00 . A A . 3 THR HG23 1 1 5 1193 1 1 3 THR N N -9.066 0.261 4.025 1.00 . A A . 3 THR N 1 1 5 1194 1 1 3 THR O O -6.720 -1.846 2.484 1.00 . A A . 3 THR O 1 1 5 1195 1 1 3 THR OG1 O -8.838 -1.421 6.045 1.00 . A A . 3 THR OG1 1 1 5 1196 1 1 4 LEU C C -5.468 0.681 0.252 1.00 . A A . 4 LEU C 1 1 5 1197 1 1 4 LEU CA C -6.784 -0.065 0.458 1.00 . A A . 4 LEU CA 1 1 5 1198 1 1 4 LEU CB C -7.868 0.475 -0.476 1.00 . A A . 4 LEU CB 1 1 5 1199 1 1 4 LEU CD1 C -10.291 0.108 -0.957 1.00 . A A . 4 LEU CD1 1 1 5 1200 1 1 4 LEU CD2 C -8.587 -1.495 -1.831 1.00 . A A . 4 LEU CD2 1 1 5 1201 1 1 4 LEU CG C -8.957 -0.581 -0.662 1.00 . A A . 4 LEU CG 1 1 5 1202 1 1 4 LEU H H -7.689 1.033 2.057 1.00 . A A . 4 LEU H 1 1 5 1203 1 1 4 LEU HA H -6.644 -1.116 0.297 1.00 . A A . 4 LEU HA 1 1 5 1204 1 1 4 LEU HB2 H -8.298 1.368 -0.047 1.00 . A A . 4 LEU HB2 1 1 5 1205 1 1 4 LEU HB3 H -7.430 0.711 -1.435 1.00 . A A . 4 LEU HB3 1 1 5 1206 1 1 4 LEU HD11 H -10.431 0.930 -0.270 1.00 . A A . 4 LEU HD11 1 1 5 1207 1 1 4 LEU HD12 H -11.097 -0.601 -0.841 1.00 . A A . 4 LEU HD12 1 1 5 1208 1 1 4 LEU HD13 H -10.285 0.484 -1.969 1.00 . A A . 4 LEU HD13 1 1 5 1209 1 1 4 LEU HD21 H -8.410 -0.897 -2.713 1.00 . A A . 4 LEU HD21 1 1 5 1210 1 1 4 LEU HD22 H -9.397 -2.184 -2.021 1.00 . A A . 4 LEU HD22 1 1 5 1211 1 1 4 LEU HD23 H -7.694 -2.048 -1.587 1.00 . A A . 4 LEU HD23 1 1 5 1212 1 1 4 LEU HG H -9.049 -1.167 0.242 1.00 . A A . 4 LEU HG 1 1 5 1213 1 1 4 LEU N N -7.295 0.173 1.831 1.00 . A A . 4 LEU N 1 1 5 1214 1 1 4 LEU O O -4.460 0.088 -0.076 1.00 . A A . 4 LEU O 1 1 5 1215 1 1 5 GLU C C -3.118 2.141 1.179 1.00 . A A . 5 GLU C 1 1 5 1216 1 1 5 GLU CA C -4.189 2.733 0.271 1.00 . A A . 5 GLU CA 1 1 5 1217 1 1 5 GLU CB C -4.513 4.176 0.669 1.00 . A A . 5 GLU CB 1 1 5 1218 1 1 5 GLU CD C -5.972 5.765 -0.603 1.00 . A A . 5 GLU CD 1 1 5 1219 1 1 5 GLU CG C -4.622 5.045 -0.590 1.00 . A A . 5 GLU CG 1 1 5 1220 1 1 5 GLU H H -6.276 2.436 0.721 1.00 . A A . 5 GLU H 1 1 5 1221 1 1 5 GLU HA H -3.869 2.686 -0.754 1.00 . A A . 5 GLU HA 1 1 5 1222 1 1 5 GLU HB2 H -5.449 4.198 1.207 1.00 . A A . 5 GLU HB2 1 1 5 1223 1 1 5 GLU HB3 H -3.727 4.559 1.301 1.00 . A A . 5 GLU HB3 1 1 5 1224 1 1 5 GLU HG2 H -3.825 5.775 -0.592 1.00 . A A . 5 GLU HG2 1 1 5 1225 1 1 5 GLU HG3 H -4.541 4.422 -1.467 1.00 . A A . 5 GLU HG3 1 1 5 1226 1 1 5 GLU N N -5.458 1.973 0.450 1.00 . A A . 5 GLU N 1 1 5 1227 1 1 5 GLU O O -1.958 2.068 0.824 1.00 . A A . 5 GLU O 1 1 5 1228 1 1 5 GLU OE1 O -6.441 6.122 0.465 1.00 . A A . 5 GLU OE1 1 1 5 1229 1 1 5 GLU OE2 O -6.514 5.946 -1.680 1.00 . A A . 5 GLU OE2 1 1 5 1230 1 1 6 LYS C C -1.958 -0.207 2.574 1.00 . A A . 6 LYS C 1 1 5 1231 1 1 6 LYS CA C -2.522 1.047 3.247 1.00 . A A . 6 LYS CA 1 1 5 1232 1 1 6 LYS CB C -3.313 0.677 4.501 1.00 . A A . 6 LYS CB 1 1 5 1233 1 1 6 LYS CD C -3.158 1.103 6.960 1.00 . A A . 6 LYS CD 1 1 5 1234 1 1 6 LYS CE C -2.670 0.303 8.169 1.00 . A A . 6 LYS CE 1 1 5 1235 1 1 6 LYS CG C -2.380 0.674 5.714 1.00 . A A . 6 LYS CG 1 1 5 1236 1 1 6 LYS H H -4.451 1.722 2.587 1.00 . A A . 6 LYS H 1 1 5 1237 1 1 6 LYS HA H -1.735 1.740 3.491 1.00 . A A . 6 LYS HA 1 1 5 1238 1 1 6 LYS HB2 H -4.103 1.399 4.655 1.00 . A A . 6 LYS HB2 1 1 5 1239 1 1 6 LYS HB3 H -3.743 -0.305 4.378 1.00 . A A . 6 LYS HB3 1 1 5 1240 1 1 6 LYS HD2 H -3.000 2.157 7.137 1.00 . A A . 6 LYS HD2 1 1 5 1241 1 1 6 LYS HD3 H -4.211 0.918 6.810 1.00 . A A . 6 LYS HD3 1 1 5 1242 1 1 6 LYS HE2 H -3.197 -0.640 8.231 1.00 . A A . 6 LYS HE2 1 1 5 1243 1 1 6 LYS HE3 H -1.606 0.137 8.107 1.00 . A A . 6 LYS HE3 1 1 5 1244 1 1 6 LYS HG2 H -1.985 -0.321 5.860 1.00 . A A . 6 LYS HG2 1 1 5 1245 1 1 6 LYS HG3 H -1.568 1.363 5.544 1.00 . A A . 6 LYS HG3 1 1 5 1246 1 1 6 LYS HZ1 H -2.515 2.078 9.245 1.00 . A A . 6 LYS HZ1 1 1 5 1247 1 1 6 LYS HZ2 H -2.646 0.692 10.214 1.00 . A A . 6 LYS HZ2 1 1 5 1248 1 1 6 LYS HZ3 H -4.015 1.297 9.409 1.00 . A A . 6 LYS HZ3 1 1 5 1249 1 1 6 LYS N N -3.508 1.678 2.334 1.00 . A A . 6 LYS N 1 1 5 1250 1 1 6 LYS NZ N -2.985 1.156 9.348 1.00 . A A . 6 LYS NZ 1 1 5 1251 1 1 6 LYS O O -0.943 -0.740 2.979 1.00 . A A . 6 LYS O 1 1 5 1252 1 1 7 LEU C C -1.242 -1.463 -0.353 1.00 . A A . 7 LEU C 1 1 5 1253 1 1 7 LEU CA C -2.127 -1.884 0.829 1.00 . A A . 7 LEU CA 1 1 5 1254 1 1 7 LEU CB C -3.409 -2.614 0.375 1.00 . A A . 7 LEU CB 1 1 5 1255 1 1 7 LEU CD1 C -2.915 -3.339 -1.972 1.00 . A A . 7 LEU CD1 1 1 5 1256 1 1 7 LEU CD2 C -5.205 -2.540 -1.364 1.00 . A A . 7 LEU CD2 1 1 5 1257 1 1 7 LEU CG C -3.707 -2.353 -1.107 1.00 . A A . 7 LEU CG 1 1 5 1258 1 1 7 LEU H H -3.426 -0.231 1.226 1.00 . A A . 7 LEU H 1 1 5 1259 1 1 7 LEU HA H -1.574 -2.505 1.506 1.00 . A A . 7 LEU HA 1 1 5 1260 1 1 7 LEU HB2 H -3.286 -3.675 0.530 1.00 . A A . 7 LEU HB2 1 1 5 1261 1 1 7 LEU HB3 H -4.242 -2.265 0.968 1.00 . A A . 7 LEU HB3 1 1 5 1262 1 1 7 LEU HD11 H -2.525 -4.132 -1.351 1.00 . A A . 7 LEU HD11 1 1 5 1263 1 1 7 LEU HD12 H -2.097 -2.819 -2.449 1.00 . A A . 7 LEU HD12 1 1 5 1264 1 1 7 LEU HD13 H -3.564 -3.758 -2.727 1.00 . A A . 7 LEU HD13 1 1 5 1265 1 1 7 LEU HD21 H -5.634 -3.146 -0.578 1.00 . A A . 7 LEU HD21 1 1 5 1266 1 1 7 LEU HD22 H -5.350 -3.031 -2.316 1.00 . A A . 7 LEU HD22 1 1 5 1267 1 1 7 LEU HD23 H -5.691 -1.575 -1.379 1.00 . A A . 7 LEU HD23 1 1 5 1268 1 1 7 LEU HG H -3.421 -1.346 -1.362 1.00 . A A . 7 LEU HG 1 1 5 1269 1 1 7 LEU N N -2.614 -0.677 1.539 1.00 . A A . 7 LEU N 1 1 5 1270 1 1 7 LEU O O -0.356 -2.183 -0.768 1.00 . A A . 7 LEU O 1 1 5 1271 1 1 8 MET C C 0.578 0.913 -1.532 1.00 . A A . 8 MET C 1 1 5 1272 1 1 8 MET CA C -0.670 0.190 -2.038 1.00 . A A . 8 MET CA 1 1 5 1273 1 1 8 MET CB C -1.587 1.159 -2.785 1.00 . A A . 8 MET CB 1 1 5 1274 1 1 8 MET CE C -1.367 2.181 -6.761 1.00 . A A . 8 MET CE 1 1 5 1275 1 1 8 MET CG C -1.010 1.442 -4.174 1.00 . A A . 8 MET CG 1 1 5 1276 1 1 8 MET H H -2.199 0.263 -0.541 1.00 . A A . 8 MET H 1 1 5 1277 1 1 8 MET HA H -0.401 -0.629 -2.676 1.00 . A A . 8 MET HA 1 1 5 1278 1 1 8 MET HB2 H -2.570 0.722 -2.885 1.00 . A A . 8 MET HB2 1 1 5 1279 1 1 8 MET HB3 H -1.659 2.084 -2.233 1.00 . A A . 8 MET HB3 1 1 5 1280 1 1 8 MET HE1 H -1.295 3.173 -7.185 1.00 . A A . 8 MET HE1 1 1 5 1281 1 1 8 MET HE2 H -1.897 1.529 -7.442 1.00 . A A . 8 MET HE2 1 1 5 1282 1 1 8 MET HE3 H -0.376 1.792 -6.592 1.00 . A A . 8 MET HE3 1 1 5 1283 1 1 8 MET HG2 H -0.146 2.083 -4.080 1.00 . A A . 8 MET HG2 1 1 5 1284 1 1 8 MET HG3 H -0.720 0.513 -4.640 1.00 . A A . 8 MET HG3 1 1 5 1285 1 1 8 MET N N -1.482 -0.296 -0.891 1.00 . A A . 8 MET N 1 1 5 1286 1 1 8 MET O O 1.691 0.567 -1.877 1.00 . A A . 8 MET O 1 1 5 1287 1 1 8 MET SD S -2.262 2.263 -5.190 1.00 . A A . 8 MET SD 1 1 5 1288 1 1 9 LYS C C 2.578 1.698 0.458 1.00 . A A . 9 LYS C 1 1 5 1289 1 1 9 LYS CA C 1.576 2.665 -0.176 1.00 . A A . 9 LYS CA 1 1 5 1290 1 1 9 LYS CB C 0.999 3.610 0.881 1.00 . A A . 9 LYS CB 1 1 5 1291 1 1 9 LYS CD C -0.461 5.611 0.522 1.00 . A A . 9 LYS CD 1 1 5 1292 1 1 9 LYS CE C -0.809 6.528 -0.652 1.00 . A A . 9 LYS CE 1 1 5 1293 1 1 9 LYS CG C 0.944 5.037 0.323 1.00 . A A . 9 LYS CG 1 1 5 1294 1 1 9 LYS H H -0.507 2.174 -0.446 1.00 . A A . 9 LYS H 1 1 5 1295 1 1 9 LYS HA H 2.050 3.232 -0.960 1.00 . A A . 9 LYS HA 1 1 5 1296 1 1 9 LYS HB2 H 0.003 3.287 1.147 1.00 . A A . 9 LYS HB2 1 1 5 1297 1 1 9 LYS HB3 H 1.629 3.594 1.759 1.00 . A A . 9 LYS HB3 1 1 5 1298 1 1 9 LYS HD2 H -1.176 4.803 0.573 1.00 . A A . 9 LYS HD2 1 1 5 1299 1 1 9 LYS HD3 H -0.491 6.178 1.440 1.00 . A A . 9 LYS HD3 1 1 5 1300 1 1 9 LYS HE2 H 0.094 6.880 -1.134 1.00 . A A . 9 LYS HE2 1 1 5 1301 1 1 9 LYS HE3 H -1.438 6.012 -1.361 1.00 . A A . 9 LYS HE3 1 1 5 1302 1 1 9 LYS HG2 H 1.663 5.653 0.844 1.00 . A A . 9 LYS HG2 1 1 5 1303 1 1 9 LYS HG3 H 1.178 5.023 -0.731 1.00 . A A . 9 LYS HG3 1 1 5 1304 1 1 9 LYS HZ1 H -0.963 8.118 0.684 1.00 . A A . 9 LYS HZ1 1 1 5 1305 1 1 9 LYS HZ2 H -2.429 7.314 0.393 1.00 . A A . 9 LYS HZ2 1 1 5 1306 1 1 9 LYS HZ3 H -1.787 8.361 -0.782 1.00 . A A . 9 LYS HZ3 1 1 5 1307 1 1 9 LYS N N 0.400 1.915 -0.711 1.00 . A A . 9 LYS N 1 1 5 1308 1 1 9 LYS NZ N -1.552 7.666 -0.044 1.00 . A A . 9 LYS NZ 1 1 5 1309 1 1 9 LYS O O 3.750 1.988 0.555 1.00 . A A . 9 LYS O 1 1 5 1310 1 1 10 ALA C C 3.990 -1.019 0.456 1.00 . A A . 10 ALA C 1 1 5 1311 1 1 10 ALA CA C 3.058 -0.427 1.513 1.00 . A A . 10 ALA CA 1 1 5 1312 1 1 10 ALA CB C 2.157 -1.517 2.098 1.00 . A A . 10 ALA CB 1 1 5 1313 1 1 10 ALA H H 1.178 0.337 0.805 1.00 . A A . 10 ALA H 1 1 5 1314 1 1 10 ALA HA H 3.627 0.043 2.295 1.00 . A A . 10 ALA HA 1 1 5 1315 1 1 10 ALA HB1 H 1.198 -1.499 1.598 1.00 . A A . 10 ALA HB1 1 1 5 1316 1 1 10 ALA HB2 H 2.015 -1.340 3.153 1.00 . A A . 10 ALA HB2 1 1 5 1317 1 1 10 ALA HB3 H 2.618 -2.482 1.953 1.00 . A A . 10 ALA HB3 1 1 5 1318 1 1 10 ALA N N 2.126 0.552 0.889 1.00 . A A . 10 ALA N 1 1 5 1319 1 1 10 ALA O O 5.185 -1.097 0.645 1.00 . A A . 10 ALA O 1 1 5 1320 1 1 11 PHE C C 5.346 -1.015 -2.206 1.00 . A A . 11 PHE C 1 1 5 1321 1 1 11 PHE CA C 4.312 -2.032 -1.716 1.00 . A A . 11 PHE CA 1 1 5 1322 1 1 11 PHE CB C 3.342 -2.405 -2.842 1.00 . A A . 11 PHE CB 1 1 5 1323 1 1 11 PHE CD1 C 2.363 -3.987 -1.108 1.00 . A A . 11 PHE CD1 1 1 5 1324 1 1 11 PHE CD2 C 1.029 -3.387 -3.044 1.00 . A A . 11 PHE CD2 1 1 5 1325 1 1 11 PHE CE1 C 1.316 -4.787 -0.635 1.00 . A A . 11 PHE CE1 1 1 5 1326 1 1 11 PHE CE2 C -0.016 -4.187 -2.570 1.00 . A A . 11 PHE CE2 1 1 5 1327 1 1 11 PHE CG C 2.220 -3.284 -2.316 1.00 . A A . 11 PHE CG 1 1 5 1328 1 1 11 PHE CZ C 0.127 -4.888 -1.367 1.00 . A A . 11 PHE CZ 1 1 5 1329 1 1 11 PHE H H 2.488 -1.370 -0.793 1.00 . A A . 11 PHE H 1 1 5 1330 1 1 11 PHE HA H 4.804 -2.914 -1.348 1.00 . A A . 11 PHE HA 1 1 5 1331 1 1 11 PHE HB2 H 2.919 -1.502 -3.255 1.00 . A A . 11 PHE HB2 1 1 5 1332 1 1 11 PHE HB3 H 3.879 -2.934 -3.612 1.00 . A A . 11 PHE HB3 1 1 5 1333 1 1 11 PHE HD1 H 3.280 -3.911 -0.544 1.00 . A A . 11 PHE HD1 1 1 5 1334 1 1 11 PHE HD2 H 0.916 -2.847 -3.973 1.00 . A A . 11 PHE HD2 1 1 5 1335 1 1 11 PHE HE1 H 1.426 -5.325 0.294 1.00 . A A . 11 PHE HE1 1 1 5 1336 1 1 11 PHE HE2 H -0.934 -4.265 -3.134 1.00 . A A . 11 PHE HE2 1 1 5 1337 1 1 11 PHE HZ H -0.680 -5.505 -1.002 1.00 . A A . 11 PHE HZ 1 1 5 1338 1 1 11 PHE N N 3.454 -1.439 -0.655 1.00 . A A . 11 PHE N 1 1 5 1339 1 1 11 PHE O O 6.324 -1.368 -2.836 1.00 . A A . 11 PHE O 1 1 5 1340 1 1 12 GLU C C 6.841 1.896 -1.192 1.00 . A A . 12 GLU C 1 1 5 1341 1 1 12 GLU CA C 6.107 1.278 -2.386 1.00 . A A . 12 GLU CA 1 1 5 1342 1 1 12 GLU CB C 5.245 2.337 -3.071 1.00 . A A . 12 GLU CB 1 1 5 1343 1 1 12 GLU CD C 6.895 2.864 -4.871 1.00 . A A . 12 GLU CD 1 1 5 1344 1 1 12 GLU CG C 5.498 2.313 -4.579 1.00 . A A . 12 GLU CG 1 1 5 1345 1 1 12 GLU H H 4.339 0.508 -1.425 1.00 . A A . 12 GLU H 1 1 5 1346 1 1 12 GLU HA H 6.808 0.860 -3.088 1.00 . A A . 12 GLU HA 1 1 5 1347 1 1 12 GLU HB2 H 4.202 2.129 -2.877 1.00 . A A . 12 GLU HB2 1 1 5 1348 1 1 12 GLU HB3 H 5.495 3.311 -2.680 1.00 . A A . 12 GLU HB3 1 1 5 1349 1 1 12 GLU HG2 H 5.428 1.297 -4.940 1.00 . A A . 12 GLU HG2 1 1 5 1350 1 1 12 GLU HG3 H 4.761 2.924 -5.075 1.00 . A A . 12 GLU HG3 1 1 5 1351 1 1 12 GLU N N 5.137 0.243 -1.928 1.00 . A A . 12 GLU N 1 1 5 1352 1 1 12 GLU O O 8.034 2.126 -1.235 1.00 . A A . 12 GLU O 1 1 5 1353 1 1 12 GLU OE1 O 7.183 3.962 -4.424 1.00 . A A . 12 GLU OE1 1 1 5 1354 1 1 12 GLU OE2 O 7.652 2.180 -5.538 1.00 . A A . 12 GLU OE2 1 1 5 1355 1 1 13 SER C C 7.517 1.782 1.894 1.00 . A A . 13 SER C 1 1 5 1356 1 1 13 SER CA C 6.770 2.816 1.051 1.00 . A A . 13 SER CA 1 1 5 1357 1 1 13 SER CB C 5.620 3.433 1.848 1.00 . A A . 13 SER CB 1 1 5 1358 1 1 13 SER H H 5.168 2.007 -0.140 1.00 . A A . 13 SER H 1 1 5 1359 1 1 13 SER HA H 7.443 3.584 0.734 1.00 . A A . 13 SER HA 1 1 5 1360 1 1 13 SER HB2 H 6.000 4.210 2.490 1.00 . A A . 13 SER HB2 1 1 5 1361 1 1 13 SER HB3 H 4.897 3.857 1.163 1.00 . A A . 13 SER HB3 1 1 5 1362 1 1 13 SER HG H 4.777 2.820 3.491 1.00 . A A . 13 SER HG 1 1 5 1363 1 1 13 SER N N 6.130 2.186 -0.140 1.00 . A A . 13 SER N 1 1 5 1364 1 1 13 SER O O 8.469 2.103 2.579 1.00 . A A . 13 SER O 1 1 5 1365 1 1 13 SER OG O 5.003 2.429 2.644 1.00 . A A . 13 SER OG 1 1 5 1366 1 1 14 LEU C C 9.297 -0.472 2.411 1.00 . A A . 14 LEU C 1 1 5 1367 1 1 14 LEU CA C 7.786 -0.500 2.675 1.00 . A A . 14 LEU CA 1 1 5 1368 1 1 14 LEU CB C 7.187 -1.835 2.223 1.00 . A A . 14 LEU CB 1 1 5 1369 1 1 14 LEU CD1 C 6.883 -3.588 3.983 1.00 . A A . 14 LEU CD1 1 1 5 1370 1 1 14 LEU CD2 C 8.291 -4.068 1.976 1.00 . A A . 14 LEU CD2 1 1 5 1371 1 1 14 LEU CG C 7.864 -2.988 2.974 1.00 . A A . 14 LEU CG 1 1 5 1372 1 1 14 LEU H H 6.317 0.317 1.305 1.00 . A A . 14 LEU H 1 1 5 1373 1 1 14 LEU HA H 7.588 -0.347 3.723 1.00 . A A . 14 LEU HA 1 1 5 1374 1 1 14 LEU HB2 H 6.127 -1.840 2.435 1.00 . A A . 14 LEU HB2 1 1 5 1375 1 1 14 LEU HB3 H 7.342 -1.957 1.161 1.00 . A A . 14 LEU HB3 1 1 5 1376 1 1 14 LEU HD11 H 6.013 -3.962 3.461 1.00 . A A . 14 LEU HD11 1 1 5 1377 1 1 14 LEU HD12 H 6.581 -2.829 4.688 1.00 . A A . 14 LEU HD12 1 1 5 1378 1 1 14 LEU HD13 H 7.361 -4.401 4.511 1.00 . A A . 14 LEU HD13 1 1 5 1379 1 1 14 LEU HD21 H 7.509 -4.808 1.892 1.00 . A A . 14 LEU HD21 1 1 5 1380 1 1 14 LEU HD22 H 9.198 -4.540 2.324 1.00 . A A . 14 LEU HD22 1 1 5 1381 1 1 14 LEU HD23 H 8.466 -3.617 1.011 1.00 . A A . 14 LEU HD23 1 1 5 1382 1 1 14 LEU HG H 8.733 -2.617 3.499 1.00 . A A . 14 LEU HG 1 1 5 1383 1 1 14 LEU N N 7.092 0.550 1.860 1.00 . A A . 14 LEU N 1 1 5 1384 1 1 14 LEU O O 10.077 -0.103 3.267 1.00 . A A . 14 LEU O 1 1 5 1385 1 1 15 LYS C C 11.451 -0.085 -0.370 1.00 . A A . 15 LYS C 1 1 5 1386 1 1 15 LYS CA C 11.176 -0.858 0.924 1.00 . A A . 15 LYS CA 1 1 5 1387 1 1 15 LYS CB C 11.547 -2.331 0.756 1.00 . A A . 15 LYS CB 1 1 5 1388 1 1 15 LYS CD C 13.542 -3.482 -0.217 1.00 . A A . 15 LYS CD 1 1 5 1389 1 1 15 LYS CE C 15.070 -3.578 -0.185 1.00 . A A . 15 LYS CE 1 1 5 1390 1 1 15 LYS CG C 13.068 -2.486 0.842 1.00 . A A . 15 LYS CG 1 1 5 1391 1 1 15 LYS H H 9.070 -1.157 0.561 1.00 . A A . 15 LYS H 1 1 5 1392 1 1 15 LYS HA H 11.732 -0.432 1.741 1.00 . A A . 15 LYS HA 1 1 5 1393 1 1 15 LYS HB2 H 11.080 -2.911 1.538 1.00 . A A . 15 LYS HB2 1 1 5 1394 1 1 15 LYS HB3 H 11.205 -2.680 -0.207 1.00 . A A . 15 LYS HB3 1 1 5 1395 1 1 15 LYS HD2 H 13.115 -4.453 -0.014 1.00 . A A . 15 LYS HD2 1 1 5 1396 1 1 15 LYS HD3 H 13.225 -3.147 -1.194 1.00 . A A . 15 LYS HD3 1 1 5 1397 1 1 15 LYS HE2 H 15.417 -3.680 0.834 1.00 . A A . 15 LYS HE2 1 1 5 1398 1 1 15 LYS HE3 H 15.408 -4.407 -0.785 1.00 . A A . 15 LYS HE3 1 1 5 1399 1 1 15 LYS HG2 H 13.538 -1.528 0.672 1.00 . A A . 15 LYS HG2 1 1 5 1400 1 1 15 LYS HG3 H 13.338 -2.850 1.822 1.00 . A A . 15 LYS HG3 1 1 5 1401 1 1 15 LYS HZ1 H 15.035 -2.105 -1.657 1.00 . A A . 15 LYS HZ1 1 1 5 1402 1 1 15 LYS HZ2 H 16.566 -2.362 -0.971 1.00 . A A . 15 LYS HZ2 1 1 5 1403 1 1 15 LYS HZ3 H 15.376 -1.520 -0.098 1.00 . A A . 15 LYS HZ3 1 1 5 1404 1 1 15 LYS N N 9.715 -0.861 1.235 1.00 . A A . 15 LYS N 1 1 5 1405 1 1 15 LYS NZ N 15.548 -2.294 -0.772 1.00 . A A . 15 LYS NZ 1 1 5 1406 1 1 15 LYS O O 12.515 0.476 -0.551 1.00 . A A . 15 LYS O 1 1 5 1407 1 1 16 SER C C 10.926 2.173 -2.306 1.00 . A A . 16 SER C 1 1 5 1408 1 1 16 SER CA C 10.718 0.674 -2.556 1.00 . A A . 16 SER CA 1 1 5 1409 1 1 16 SER CB C 9.441 0.439 -3.361 1.00 . A A . 16 SER CB 1 1 5 1410 1 1 16 SER H H 9.662 -0.519 -1.110 1.00 . A A . 16 SER H 1 1 5 1411 1 1 16 SER HA H 11.562 0.263 -3.081 1.00 . A A . 16 SER HA 1 1 5 1412 1 1 16 SER HB2 H 8.638 0.173 -2.695 1.00 . A A . 16 SER HB2 1 1 5 1413 1 1 16 SER HB3 H 9.180 1.345 -3.892 1.00 . A A . 16 SER HB3 1 1 5 1414 1 1 16 SER HG H 10.452 -0.425 -4.781 1.00 . A A . 16 SER HG 1 1 5 1415 1 1 16 SER N N 10.508 -0.056 -1.272 1.00 . A A . 16 SER N 1 1 5 1416 1 1 16 SER O O 11.364 2.897 -3.178 1.00 . A A . 16 SER O 1 1 5 1417 1 1 16 SER OG O 9.656 -0.622 -4.283 1.00 . A A . 16 SER OG 1 1 5 1418 1 1 17 PHE C C 12.223 4.541 -1.149 1.00 . A A . 17 PHE C 1 1 5 1419 1 1 17 PHE CA C 10.788 4.099 -0.834 1.00 . A A . 17 PHE CA 1 1 5 1420 1 1 17 PHE CB C 10.481 4.250 0.663 1.00 . A A . 17 PHE CB 1 1 5 1421 1 1 17 PHE CD1 C 12.749 4.340 1.765 1.00 . A A . 17 PHE CD1 1 1 5 1422 1 1 17 PHE CD2 C 11.428 2.320 1.988 1.00 . A A . 17 PHE CD2 1 1 5 1423 1 1 17 PHE CE1 C 13.765 3.761 2.535 1.00 . A A . 17 PHE CE1 1 1 5 1424 1 1 17 PHE CE2 C 12.445 1.741 2.758 1.00 . A A . 17 PHE CE2 1 1 5 1425 1 1 17 PHE CG C 11.580 3.620 1.491 1.00 . A A . 17 PHE CG 1 1 5 1426 1 1 17 PHE CZ C 13.612 2.462 3.031 1.00 . A A . 17 PHE CZ 1 1 5 1427 1 1 17 PHE H H 10.255 2.047 -0.441 1.00 . A A . 17 PHE H 1 1 5 1428 1 1 17 PHE HA H 10.086 4.681 -1.409 1.00 . A A . 17 PHE HA 1 1 5 1429 1 1 17 PHE HB2 H 10.405 5.298 0.908 1.00 . A A . 17 PHE HB2 1 1 5 1430 1 1 17 PHE HB3 H 9.543 3.763 0.885 1.00 . A A . 17 PHE HB3 1 1 5 1431 1 1 17 PHE HD1 H 12.868 5.344 1.382 1.00 . A A . 17 PHE HD1 1 1 5 1432 1 1 17 PHE HD2 H 10.526 1.764 1.778 1.00 . A A . 17 PHE HD2 1 1 5 1433 1 1 17 PHE HE1 H 14.667 4.317 2.746 1.00 . A A . 17 PHE HE1 1 1 5 1434 1 1 17 PHE HE2 H 12.327 0.739 3.143 1.00 . A A . 17 PHE HE2 1 1 5 1435 1 1 17 PHE HZ H 14.396 2.015 3.625 1.00 . A A . 17 PHE HZ 1 1 5 1436 1 1 17 PHE N N 10.611 2.645 -1.128 1.00 . A A . 17 PHE N 1 1 5 1437 1 1 17 PHE O O 12.460 5.675 -1.517 1.00 . A A . 17 PHE O 1 1 5 1438 1 1 18 NH2 HN1 H 14.120 3.955 -1.213 1.00 . A A . 18 NH2 HN1 1 1 5 1439 1 1 18 NH2 HN2 H 13.010 2.770 -0.719 1.00 . A A . 18 NH2 HN2 1 1 5 1440 1 1 18 NH2 N N 13.199 3.685 -1.016 1.00 . A A . 18 NH2 N 1 1 6 1441 1 1 1 MET C C -12.490 1.025 4.668 1.00 . A A . 1 MET C 1 1 6 1442 1 1 1 MET CA C -13.297 0.608 5.900 1.00 . A A . 1 MET CA 1 1 6 1443 1 1 1 MET CB C -12.998 1.534 7.080 1.00 . A A . 1 MET CB 1 1 6 1444 1 1 1 MET CE C -15.780 1.494 8.891 1.00 . A A . 1 MET CE 1 1 6 1445 1 1 1 MET CG C -14.052 2.644 7.141 1.00 . A A . 1 MET CG 1 1 6 1446 1 1 1 MET H1 H -13.097 -1.446 5.618 1.00 . A A . 1 MET H1 1 1 6 1447 1 1 1 MET H2 H -13.389 -0.993 7.229 1.00 . A A . 1 MET H2 1 1 6 1448 1 1 1 MET H3 H -11.854 -0.751 6.540 1.00 . A A . 1 MET H3 1 1 6 1449 1 1 1 MET HA H -14.353 0.622 5.682 1.00 . A A . 1 MET HA 1 1 6 1450 1 1 1 MET HB2 H -13.016 0.964 7.997 1.00 . A A . 1 MET HB2 1 1 6 1451 1 1 1 MET HB3 H -12.020 1.976 6.950 1.00 . A A . 1 MET HB3 1 1 6 1452 1 1 1 MET HE1 H -15.260 0.568 8.686 1.00 . A A . 1 MET HE1 1 1 6 1453 1 1 1 MET HE2 H -16.546 1.655 8.144 1.00 . A A . 1 MET HE2 1 1 6 1454 1 1 1 MET HE3 H -16.238 1.438 9.864 1.00 . A A . 1 MET HE3 1 1 6 1455 1 1 1 MET HG2 H -13.625 3.566 6.779 1.00 . A A . 1 MET HG2 1 1 6 1456 1 1 1 MET HG3 H -14.896 2.373 6.524 1.00 . A A . 1 MET HG3 1 1 6 1457 1 1 1 MET N N -12.877 -0.748 6.356 1.00 . A A . 1 MET N 1 1 6 1458 1 1 1 MET O O -11.921 2.099 4.621 1.00 . A A . 1 MET O 1 1 6 1459 1 1 1 MET SD S -14.603 2.867 8.852 1.00 . A A . 1 MET SD 1 1 6 1460 1 1 2 ALA C C -10.237 0.924 2.777 1.00 . A A . 2 ALA C 1 1 6 1461 1 1 2 ALA CA C -11.674 0.521 2.430 1.00 . A A . 2 ALA CA 1 1 6 1462 1 1 2 ALA CB C -12.424 1.696 1.799 1.00 . A A . 2 ALA CB 1 1 6 1463 1 1 2 ALA H H -12.909 -0.675 3.732 1.00 . A A . 2 ALA H 1 1 6 1464 1 1 2 ALA HA H -11.672 -0.318 1.752 1.00 . A A . 2 ALA HA 1 1 6 1465 1 1 2 ALA HB1 H -13.079 2.141 2.535 1.00 . A A . 2 ALA HB1 1 1 6 1466 1 1 2 ALA HB2 H -13.009 1.343 0.964 1.00 . A A . 2 ALA HB2 1 1 6 1467 1 1 2 ALA HB3 H -11.715 2.435 1.457 1.00 . A A . 2 ALA HB3 1 1 6 1468 1 1 2 ALA N N -12.440 0.183 3.669 1.00 . A A . 2 ALA N 1 1 6 1469 1 1 2 ALA O O -9.949 2.078 3.027 1.00 . A A . 2 ALA O 1 1 6 1470 1 1 3 THR C C -7.011 -0.055 1.930 1.00 . A A . 3 THR C 1 1 6 1471 1 1 3 THR CA C -7.912 0.306 3.112 1.00 . A A . 3 THR CA 1 1 6 1472 1 1 3 THR CB C -7.571 -0.552 4.332 1.00 . A A . 3 THR CB 1 1 6 1473 1 1 3 THR CG2 C -8.494 -0.186 5.494 1.00 . A A . 3 THR CG2 1 1 6 1474 1 1 3 THR H H -9.587 -0.943 2.578 1.00 . A A . 3 THR H 1 1 6 1475 1 1 3 THR HA H -7.811 1.351 3.354 1.00 . A A . 3 THR HA 1 1 6 1476 1 1 3 THR HB H -6.547 -0.374 4.621 1.00 . A A . 3 THR HB 1 1 6 1477 1 1 3 THR HG1 H -8.677 -2.097 3.910 1.00 . A A . 3 THR HG1 1 1 6 1478 1 1 3 THR HG21 H -9.439 -0.697 5.379 1.00 . A A . 3 THR HG21 1 1 6 1479 1 1 3 THR HG22 H -8.662 0.881 5.499 1.00 . A A . 3 THR HG22 1 1 6 1480 1 1 3 THR HG23 H -8.036 -0.482 6.426 1.00 . A A . 3 THR HG23 1 1 6 1481 1 1 3 THR N N -9.332 -0.019 2.788 1.00 . A A . 3 THR N 1 1 6 1482 1 1 3 THR O O -5.964 -0.648 2.095 1.00 . A A . 3 THR O 1 1 6 1483 1 1 3 THR OG1 O -7.737 -1.926 4.005 1.00 . A A . 3 THR OG1 1 1 6 1484 1 1 4 LEU C C -5.265 0.745 -0.390 1.00 . A A . 4 LEU C 1 1 6 1485 1 1 4 LEU CA C -6.584 -0.018 -0.454 1.00 . A A . 4 LEU CA 1 1 6 1486 1 1 4 LEU CB C -7.415 0.434 -1.657 1.00 . A A . 4 LEU CB 1 1 6 1487 1 1 4 LEU CD1 C -9.584 -0.807 -1.736 1.00 . A A . 4 LEU CD1 1 1 6 1488 1 1 4 LEU CD2 C -8.162 -0.646 -3.783 1.00 . A A . 4 LEU CD2 1 1 6 1489 1 1 4 LEU CG C -8.147 -0.769 -2.257 1.00 . A A . 4 LEU CG 1 1 6 1490 1 1 4 LEU H H -8.260 0.777 0.633 1.00 . A A . 4 LEU H 1 1 6 1491 1 1 4 LEU HA H -6.400 -1.078 -0.507 1.00 . A A . 4 LEU HA 1 1 6 1492 1 1 4 LEU HB2 H -8.136 1.173 -1.338 1.00 . A A . 4 LEU HB2 1 1 6 1493 1 1 4 LEU HB3 H -6.763 0.865 -2.402 1.00 . A A . 4 LEU HB3 1 1 6 1494 1 1 4 LEU HD11 H -9.623 -0.356 -0.755 1.00 . A A . 4 LEU HD11 1 1 6 1495 1 1 4 LEU HD12 H -9.917 -1.833 -1.674 1.00 . A A . 4 LEU HD12 1 1 6 1496 1 1 4 LEU HD13 H -10.226 -0.260 -2.410 1.00 . A A . 4 LEU HD13 1 1 6 1497 1 1 4 LEU HD21 H -8.952 0.027 -4.081 1.00 . A A . 4 LEU HD21 1 1 6 1498 1 1 4 LEU HD22 H -8.333 -1.618 -4.221 1.00 . A A . 4 LEU HD22 1 1 6 1499 1 1 4 LEU HD23 H -7.212 -0.260 -4.123 1.00 . A A . 4 LEU HD23 1 1 6 1500 1 1 4 LEU HG H -7.637 -1.679 -1.972 1.00 . A A . 4 LEU HG 1 1 6 1501 1 1 4 LEU N N -7.414 0.300 0.740 1.00 . A A . 4 LEU N 1 1 6 1502 1 1 4 LEU O O -4.200 0.164 -0.467 1.00 . A A . 4 LEU O 1 1 6 1503 1 1 5 GLU C C -3.201 2.285 0.990 1.00 . A A . 5 GLU C 1 1 6 1504 1 1 5 GLU CA C -4.050 2.823 -0.155 1.00 . A A . 5 GLU CA 1 1 6 1505 1 1 5 GLU CB C -4.472 4.269 0.104 1.00 . A A . 5 GLU CB 1 1 6 1506 1 1 5 GLU CD C -5.539 6.110 -1.209 1.00 . A A . 5 GLU CD 1 1 6 1507 1 1 5 GLU CG C -4.427 5.059 -1.206 1.00 . A A . 5 GLU CG 1 1 6 1508 1 1 5 GLU H H -6.181 2.496 -0.166 1.00 . A A . 5 GLU H 1 1 6 1509 1 1 5 GLU HA H -3.508 2.747 -1.081 1.00 . A A . 5 GLU HA 1 1 6 1510 1 1 5 GLU HB2 H -5.477 4.285 0.501 1.00 . A A . 5 GLU HB2 1 1 6 1511 1 1 5 GLU HB3 H -3.797 4.719 0.816 1.00 . A A . 5 GLU HB3 1 1 6 1512 1 1 5 GLU HG2 H -3.469 5.548 -1.299 1.00 . A A . 5 GLU HG2 1 1 6 1513 1 1 5 GLU HG3 H -4.570 4.385 -2.037 1.00 . A A . 5 GLU HG3 1 1 6 1514 1 1 5 GLU N N -5.317 2.042 -0.236 1.00 . A A . 5 GLU N 1 1 6 1515 1 1 5 GLU O O -1.995 2.181 0.888 1.00 . A A . 5 GLU O 1 1 6 1516 1 1 5 GLU OE1 O -6.673 5.744 -1.470 1.00 . A A . 5 GLU OE1 1 1 6 1517 1 1 5 GLU OE2 O -5.238 7.264 -0.949 1.00 . A A . 5 GLU OE2 1 1 6 1518 1 1 6 LYS C C -2.422 0.016 2.762 1.00 . A A . 6 LYS C 1 1 6 1519 1 1 6 LYS CA C -3.064 1.336 3.204 1.00 . A A . 6 LYS CA 1 1 6 1520 1 1 6 LYS CB C -4.099 1.093 4.306 1.00 . A A . 6 LYS CB 1 1 6 1521 1 1 6 LYS CD C -3.305 1.480 6.649 1.00 . A A . 6 LYS CD 1 1 6 1522 1 1 6 LYS CE C -2.610 2.544 7.502 1.00 . A A . 6 LYS CE 1 1 6 1523 1 1 6 LYS CG C -3.926 2.137 5.415 1.00 . A A . 6 LYS CG 1 1 6 1524 1 1 6 LYS H H -4.802 1.976 2.118 1.00 . A A . 6 LYS H 1 1 6 1525 1 1 6 LYS HA H -2.315 2.032 3.541 1.00 . A A . 6 LYS HA 1 1 6 1526 1 1 6 LYS HB2 H -5.092 1.171 3.889 1.00 . A A . 6 LYS HB2 1 1 6 1527 1 1 6 LYS HB3 H -3.958 0.105 4.718 1.00 . A A . 6 LYS HB3 1 1 6 1528 1 1 6 LYS HD2 H -4.082 1.001 7.230 1.00 . A A . 6 LYS HD2 1 1 6 1529 1 1 6 LYS HD3 H -2.581 0.741 6.338 1.00 . A A . 6 LYS HD3 1 1 6 1530 1 1 6 LYS HE2 H -1.541 2.510 7.343 1.00 . A A . 6 LYS HE2 1 1 6 1531 1 1 6 LYS HE3 H -2.997 3.524 7.269 1.00 . A A . 6 LYS HE3 1 1 6 1532 1 1 6 LYS HG2 H -3.279 2.930 5.066 1.00 . A A . 6 LYS HG2 1 1 6 1533 1 1 6 LYS HG3 H -4.889 2.548 5.675 1.00 . A A . 6 LYS HG3 1 1 6 1534 1 1 6 LYS HZ1 H -2.471 2.848 9.557 1.00 . A A . 6 LYS HZ1 1 1 6 1535 1 1 6 LYS HZ2 H -2.614 1.219 9.107 1.00 . A A . 6 LYS HZ2 1 1 6 1536 1 1 6 LYS HZ3 H -3.973 2.238 9.046 1.00 . A A . 6 LYS HZ3 1 1 6 1537 1 1 6 LYS N N -3.829 1.907 2.067 1.00 . A A . 6 LYS N 1 1 6 1538 1 1 6 LYS NZ N -2.942 2.185 8.909 1.00 . A A . 6 LYS NZ 1 1 6 1539 1 1 6 LYS O O -1.557 -0.518 3.428 1.00 . A A . 6 LYS O 1 1 6 1540 1 1 7 LEU C C -1.252 -1.492 0.023 1.00 . A A . 7 LEU C 1 1 6 1541 1 1 7 LEU CA C -2.262 -1.782 1.143 1.00 . A A . 7 LEU CA 1 1 6 1542 1 1 7 LEU CB C -3.478 -2.595 0.651 1.00 . A A . 7 LEU CB 1 1 6 1543 1 1 7 LEU CD1 C -2.592 -3.657 -1.437 1.00 . A A . 7 LEU CD1 1 1 6 1544 1 1 7 LEU CD2 C -4.989 -2.964 -1.310 1.00 . A A . 7 LEU CD2 1 1 6 1545 1 1 7 LEU CG C -3.560 -2.612 -0.880 1.00 . A A . 7 LEU CG 1 1 6 1546 1 1 7 LEU H H -3.535 -0.067 1.110 1.00 . A A . 7 LEU H 1 1 6 1547 1 1 7 LEU HA H -1.783 -2.297 1.952 1.00 . A A . 7 LEU HA 1 1 6 1548 1 1 7 LEU HB2 H -3.396 -3.609 1.011 1.00 . A A . 7 LEU HB2 1 1 6 1549 1 1 7 LEU HB3 H -4.382 -2.152 1.047 1.00 . A A . 7 LEU HB3 1 1 6 1550 1 1 7 LEU HD11 H -2.349 -4.372 -0.664 1.00 . A A . 7 LEU HD11 1 1 6 1551 1 1 7 LEU HD12 H -1.691 -3.164 -1.767 1.00 . A A . 7 LEU HD12 1 1 6 1552 1 1 7 LEU HD13 H -3.051 -4.168 -2.270 1.00 . A A . 7 LEU HD13 1 1 6 1553 1 1 7 LEU HD21 H -5.322 -2.262 -2.061 1.00 . A A . 7 LEU HD21 1 1 6 1554 1 1 7 LEU HD22 H -5.647 -2.913 -0.454 1.00 . A A . 7 LEU HD22 1 1 6 1555 1 1 7 LEU HD23 H -5.008 -3.963 -1.719 1.00 . A A . 7 LEU HD23 1 1 6 1556 1 1 7 LEU HG H -3.298 -1.638 -1.265 1.00 . A A . 7 LEU HG 1 1 6 1557 1 1 7 LEU N N -2.840 -0.510 1.634 1.00 . A A . 7 LEU N 1 1 6 1558 1 1 7 LEU O O -0.301 -2.221 -0.174 1.00 . A A . 7 LEU O 1 1 6 1559 1 1 8 MET C C 0.682 0.683 -1.247 1.00 . A A . 8 MET C 1 1 6 1560 1 1 8 MET CA C -0.521 -0.073 -1.807 1.00 . A A . 8 MET CA 1 1 6 1561 1 1 8 MET CB C -1.330 0.822 -2.746 1.00 . A A . 8 MET CB 1 1 6 1562 1 1 8 MET CE C -0.012 2.678 -6.180 1.00 . A A . 8 MET CE 1 1 6 1563 1 1 8 MET CG C -0.498 1.145 -3.990 1.00 . A A . 8 MET CG 1 1 6 1564 1 1 8 MET H H -2.228 0.145 -0.528 1.00 . A A . 8 MET H 1 1 6 1565 1 1 8 MET HA H -0.200 -0.957 -2.323 1.00 . A A . 8 MET HA 1 1 6 1566 1 1 8 MET HB2 H -2.235 0.310 -3.040 1.00 . A A . 8 MET HB2 1 1 6 1567 1 1 8 MET HB3 H -1.585 1.741 -2.238 1.00 . A A . 8 MET HB3 1 1 6 1568 1 1 8 MET HE1 H 0.947 3.113 -5.939 1.00 . A A . 8 MET HE1 1 1 6 1569 1 1 8 MET HE2 H -0.483 3.244 -6.971 1.00 . A A . 8 MET HE2 1 1 6 1570 1 1 8 MET HE3 H 0.129 1.659 -6.505 1.00 . A A . 8 MET HE3 1 1 6 1571 1 1 8 MET HG2 H 0.542 1.237 -3.713 1.00 . A A . 8 MET HG2 1 1 6 1572 1 1 8 MET HG3 H -0.609 0.351 -4.714 1.00 . A A . 8 MET HG3 1 1 6 1573 1 1 8 MET N N -1.457 -0.425 -0.706 1.00 . A A . 8 MET N 1 1 6 1574 1 1 8 MET O O 1.803 0.487 -1.675 1.00 . A A . 8 MET O 1 1 6 1575 1 1 8 MET SD S -1.071 2.704 -4.712 1.00 . A A . 8 MET SD 1 1 6 1576 1 1 9 LYS C C 2.703 1.350 0.741 1.00 . A A . 9 LYS C 1 1 6 1577 1 1 9 LYS CA C 1.593 2.312 0.306 1.00 . A A . 9 LYS CA 1 1 6 1578 1 1 9 LYS CB C 1.000 3.034 1.518 1.00 . A A . 9 LYS CB 1 1 6 1579 1 1 9 LYS CD C -0.240 4.825 0.280 1.00 . A A . 9 LYS CD 1 1 6 1580 1 1 9 LYS CE C 0.306 5.201 -1.098 1.00 . A A . 9 LYS CE 1 1 6 1581 1 1 9 LYS CG C 0.924 4.537 1.235 1.00 . A A . 9 LYS CG 1 1 6 1582 1 1 9 LYS H H -0.454 1.685 0.040 1.00 . A A . 9 LYS H 1 1 6 1583 1 1 9 LYS HA H 1.974 3.029 -0.403 1.00 . A A . 9 LYS HA 1 1 6 1584 1 1 9 LYS HB2 H 0.008 2.653 1.714 1.00 . A A . 9 LYS HB2 1 1 6 1585 1 1 9 LYS HB3 H 1.626 2.864 2.381 1.00 . A A . 9 LYS HB3 1 1 6 1586 1 1 9 LYS HD2 H -0.861 3.946 0.194 1.00 . A A . 9 LYS HD2 1 1 6 1587 1 1 9 LYS HD3 H -0.828 5.643 0.667 1.00 . A A . 9 LYS HD3 1 1 6 1588 1 1 9 LYS HE2 H 0.776 6.175 -1.063 1.00 . A A . 9 LYS HE2 1 1 6 1589 1 1 9 LYS HE3 H 1.007 4.456 -1.443 1.00 . A A . 9 LYS HE3 1 1 6 1590 1 1 9 LYS HG2 H 0.769 5.069 2.163 1.00 . A A . 9 LYS HG2 1 1 6 1591 1 1 9 LYS HG3 H 1.847 4.864 0.783 1.00 . A A . 9 LYS HG3 1 1 6 1592 1 1 9 LYS HZ1 H -0.581 5.328 -2.977 1.00 . A A . 9 LYS HZ1 1 1 6 1593 1 1 9 LYS HZ2 H -1.492 6.034 -1.734 1.00 . A A . 9 LYS HZ2 1 1 6 1594 1 1 9 LYS HZ3 H -1.422 4.343 -1.878 1.00 . A A . 9 LYS HZ3 1 1 6 1595 1 1 9 LYS N N 0.459 1.545 -0.290 1.00 . A A . 9 LYS N 1 1 6 1596 1 1 9 LYS NZ N -0.887 5.229 -1.989 1.00 . A A . 9 LYS NZ 1 1 6 1597 1 1 9 LYS O O 3.859 1.708 0.791 1.00 . A A . 9 LYS O 1 1 6 1598 1 1 10 ALA C C 4.182 -1.347 0.271 1.00 . A A . 10 ALA C 1 1 6 1599 1 1 10 ALA CA C 3.389 -0.855 1.479 1.00 . A A . 10 ALA CA 1 1 6 1600 1 1 10 ALA CB C 2.607 -2.008 2.111 1.00 . A A . 10 ALA CB 1 1 6 1601 1 1 10 ALA H H 1.421 -0.140 1.004 1.00 . A A . 10 ALA H 1 1 6 1602 1 1 10 ALA HA H 4.051 -0.412 2.203 1.00 . A A . 10 ALA HA 1 1 6 1603 1 1 10 ALA HB1 H 3.082 -2.304 3.033 1.00 . A A . 10 ALA HB1 1 1 6 1604 1 1 10 ALA HB2 H 2.590 -2.848 1.430 1.00 . A A . 10 ALA HB2 1 1 6 1605 1 1 10 ALA HB3 H 1.595 -1.689 2.312 1.00 . A A . 10 ALA HB3 1 1 6 1606 1 1 10 ALA N N 2.357 0.129 1.052 1.00 . A A . 10 ALA N 1 1 6 1607 1 1 10 ALA O O 5.327 -1.728 0.388 1.00 . A A . 10 ALA O 1 1 6 1608 1 1 11 PHE C C 5.253 -0.696 -2.589 1.00 . A A . 11 PHE C 1 1 6 1609 1 1 11 PHE CA C 4.326 -1.807 -2.093 1.00 . A A . 11 PHE CA 1 1 6 1610 1 1 11 PHE CB C 3.239 -2.119 -3.122 1.00 . A A . 11 PHE CB 1 1 6 1611 1 1 11 PHE CD1 C 2.541 -3.849 -1.389 1.00 . A A . 11 PHE CD1 1 1 6 1612 1 1 11 PHE CD2 C 1.057 -3.378 -3.249 1.00 . A A . 11 PHE CD2 1 1 6 1613 1 1 11 PHE CE1 C 1.625 -4.783 -0.894 1.00 . A A . 11 PHE CE1 1 1 6 1614 1 1 11 PHE CE2 C 0.142 -4.313 -2.752 1.00 . A A . 11 PHE CE2 1 1 6 1615 1 1 11 PHE CG C 2.259 -3.143 -2.572 1.00 . A A . 11 PHE CG 1 1 6 1616 1 1 11 PHE CZ C 0.425 -5.015 -1.575 1.00 . A A . 11 PHE CZ 1 1 6 1617 1 1 11 PHE H H 2.664 -1.031 -0.971 1.00 . A A . 11 PHE H 1 1 6 1618 1 1 11 PHE HA H 4.891 -2.696 -1.867 1.00 . A A . 11 PHE HA 1 1 6 1619 1 1 11 PHE HB2 H 2.705 -1.211 -3.360 1.00 . A A . 11 PHE HB2 1 1 6 1620 1 1 11 PHE HB3 H 3.697 -2.509 -4.017 1.00 . A A . 11 PHE HB3 1 1 6 1621 1 1 11 PHE HD1 H 3.466 -3.674 -0.861 1.00 . A A . 11 PHE HD1 1 1 6 1622 1 1 11 PHE HD2 H 0.836 -2.839 -4.159 1.00 . A A . 11 PHE HD2 1 1 6 1623 1 1 11 PHE HE1 H 1.842 -5.321 0.016 1.00 . A A . 11 PHE HE1 1 1 6 1624 1 1 11 PHE HE2 H -0.785 -4.490 -3.275 1.00 . A A . 11 PHE HE2 1 1 6 1625 1 1 11 PHE HZ H -0.282 -5.735 -1.193 1.00 . A A . 11 PHE HZ 1 1 6 1626 1 1 11 PHE N N 3.589 -1.342 -0.888 1.00 . A A . 11 PHE N 1 1 6 1627 1 1 11 PHE O O 6.042 -0.887 -3.495 1.00 . A A . 11 PHE O 1 1 6 1628 1 1 12 GLU C C 6.795 2.164 -1.218 1.00 . A A . 12 GLU C 1 1 6 1629 1 1 12 GLU CA C 6.032 1.599 -2.421 1.00 . A A . 12 GLU CA 1 1 6 1630 1 1 12 GLU CB C 5.064 2.647 -2.967 1.00 . A A . 12 GLU CB 1 1 6 1631 1 1 12 GLU CD C 4.400 3.933 -5.004 1.00 . A A . 12 GLU CD 1 1 6 1632 1 1 12 GLU CG C 5.214 2.746 -4.487 1.00 . A A . 12 GLU CG 1 1 6 1633 1 1 12 GLU H H 4.515 0.593 -1.271 1.00 . A A . 12 GLU H 1 1 6 1634 1 1 12 GLU HA H 6.716 1.286 -3.194 1.00 . A A . 12 GLU HA 1 1 6 1635 1 1 12 GLU HB2 H 4.052 2.361 -2.720 1.00 . A A . 12 GLU HB2 1 1 6 1636 1 1 12 GLU HB3 H 5.286 3.604 -2.520 1.00 . A A . 12 GLU HB3 1 1 6 1637 1 1 12 GLU HG2 H 6.255 2.886 -4.738 1.00 . A A . 12 GLU HG2 1 1 6 1638 1 1 12 GLU HG3 H 4.851 1.838 -4.944 1.00 . A A . 12 GLU HG3 1 1 6 1639 1 1 12 GLU N N 5.162 0.466 -1.997 1.00 . A A . 12 GLU N 1 1 6 1640 1 1 12 GLU O O 7.958 2.505 -1.312 1.00 . A A . 12 GLU O 1 1 6 1641 1 1 12 GLU OE1 O 3.183 3.841 -4.995 1.00 . A A . 12 GLU OE1 1 1 6 1642 1 1 12 GLU OE2 O 5.007 4.915 -5.399 1.00 . A A . 12 GLU OE2 1 1 6 1643 1 1 13 SER C C 7.770 1.807 1.718 1.00 . A A . 13 SER C 1 1 6 1644 1 1 13 SER CA C 6.816 2.834 1.113 1.00 . A A . 13 SER CA 1 1 6 1645 1 1 13 SER CB C 5.690 3.168 2.093 1.00 . A A . 13 SER CB 1 1 6 1646 1 1 13 SER H H 5.204 2.006 -0.045 1.00 . A A . 13 SER H 1 1 6 1647 1 1 13 SER HA H 7.349 3.726 0.854 1.00 . A A . 13 SER HA 1 1 6 1648 1 1 13 SER HB2 H 6.036 3.895 2.808 1.00 . A A . 13 SER HB2 1 1 6 1649 1 1 13 SER HB3 H 4.849 3.576 1.547 1.00 . A A . 13 SER HB3 1 1 6 1650 1 1 13 SER HG H 5.943 1.816 3.470 1.00 . A A . 13 SER HG 1 1 6 1651 1 1 13 SER N N 6.141 2.278 -0.093 1.00 . A A . 13 SER N 1 1 6 1652 1 1 13 SER O O 8.757 2.154 2.335 1.00 . A A . 13 SER O 1 1 6 1653 1 1 13 SER OG O 5.296 1.988 2.782 1.00 . A A . 13 SER OG 1 1 6 1654 1 1 14 LEU C C 9.845 -0.212 1.809 1.00 . A A . 14 LEU C 1 1 6 1655 1 1 14 LEU CA C 8.373 -0.516 2.119 1.00 . A A . 14 LEU CA 1 1 6 1656 1 1 14 LEU CB C 7.950 -1.815 1.428 1.00 . A A . 14 LEU CB 1 1 6 1657 1 1 14 LEU CD1 C 8.143 -3.129 3.548 1.00 . A A . 14 LEU CD1 1 1 6 1658 1 1 14 LEU CD2 C 6.001 -1.955 3.007 1.00 . A A . 14 LEU CD2 1 1 6 1659 1 1 14 LEU CG C 7.198 -2.713 2.418 1.00 . A A . 14 LEU CG 1 1 6 1660 1 1 14 LEU H H 6.667 0.299 1.051 1.00 . A A . 14 LEU H 1 1 6 1661 1 1 14 LEU HA H 8.224 -0.600 3.183 1.00 . A A . 14 LEU HA 1 1 6 1662 1 1 14 LEU HB2 H 7.313 -1.583 0.591 1.00 . A A . 14 LEU HB2 1 1 6 1663 1 1 14 LEU HB3 H 8.828 -2.335 1.074 1.00 . A A . 14 LEU HB3 1 1 6 1664 1 1 14 LEU HD11 H 7.698 -3.938 4.110 1.00 . A A . 14 LEU HD11 1 1 6 1665 1 1 14 LEU HD12 H 8.315 -2.288 4.203 1.00 . A A . 14 LEU HD12 1 1 6 1666 1 1 14 LEU HD13 H 9.082 -3.457 3.129 1.00 . A A . 14 LEU HD13 1 1 6 1667 1 1 14 LEU HD21 H 5.921 -0.986 2.537 1.00 . A A . 14 LEU HD21 1 1 6 1668 1 1 14 LEU HD22 H 6.140 -1.829 4.070 1.00 . A A . 14 LEU HD22 1 1 6 1669 1 1 14 LEU HD23 H 5.097 -2.516 2.827 1.00 . A A . 14 LEU HD23 1 1 6 1670 1 1 14 LEU HG H 6.848 -3.596 1.903 1.00 . A A . 14 LEU HG 1 1 6 1671 1 1 14 LEU N N 7.479 0.546 1.548 1.00 . A A . 14 LEU N 1 1 6 1672 1 1 14 LEU O O 10.615 0.125 2.687 1.00 . A A . 14 LEU O 1 1 6 1673 1 1 15 LYS C C 11.740 1.056 -0.849 1.00 . A A . 15 LYS C 1 1 6 1674 1 1 15 LYS CA C 11.659 -0.054 0.205 1.00 . A A . 15 LYS CA 1 1 6 1675 1 1 15 LYS CB C 12.188 -1.370 -0.364 1.00 . A A . 15 LYS CB 1 1 6 1676 1 1 15 LYS CD C 14.042 -1.847 -1.977 1.00 . A A . 15 LYS CD 1 1 6 1677 1 1 15 LYS CE C 15.101 -0.978 -2.661 1.00 . A A . 15 LYS CE 1 1 6 1678 1 1 15 LYS CG C 13.696 -1.254 -0.609 1.00 . A A . 15 LYS CG 1 1 6 1679 1 1 15 LYS H H 9.601 -0.608 -0.122 1.00 . A A . 15 LYS H 1 1 6 1680 1 1 15 LYS HA H 12.224 0.219 1.080 1.00 . A A . 15 LYS HA 1 1 6 1681 1 1 15 LYS HB2 H 11.997 -2.168 0.340 1.00 . A A . 15 LYS HB2 1 1 6 1682 1 1 15 LYS HB3 H 11.688 -1.585 -1.296 1.00 . A A . 15 LYS HB3 1 1 6 1683 1 1 15 LYS HD2 H 14.427 -2.849 -1.849 1.00 . A A . 15 LYS HD2 1 1 6 1684 1 1 15 LYS HD3 H 13.155 -1.879 -2.592 1.00 . A A . 15 LYS HD3 1 1 6 1685 1 1 15 LYS HE2 H 15.865 -0.692 -1.951 1.00 . A A . 15 LYS HE2 1 1 6 1686 1 1 15 LYS HE3 H 15.537 -1.502 -3.496 1.00 . A A . 15 LYS HE3 1 1 6 1687 1 1 15 LYS HG2 H 13.986 -0.213 -0.582 1.00 . A A . 15 LYS HG2 1 1 6 1688 1 1 15 LYS HG3 H 14.227 -1.795 0.160 1.00 . A A . 15 LYS HG3 1 1 6 1689 1 1 15 LYS HZ1 H 13.635 -0.069 -3.826 1.00 . A A . 15 LYS HZ1 1 1 6 1690 1 1 15 LYS HZ2 H 15.023 0.878 -3.599 1.00 . A A . 15 LYS HZ2 1 1 6 1691 1 1 15 LYS HZ3 H 13.905 0.695 -2.333 1.00 . A A . 15 LYS HZ3 1 1 6 1692 1 1 15 LYS N N 10.239 -0.332 0.569 1.00 . A A . 15 LYS N 1 1 6 1693 1 1 15 LYS NZ N 14.360 0.223 -3.141 1.00 . A A . 15 LYS NZ 1 1 6 1694 1 1 15 LYS O O 12.707 1.789 -0.918 1.00 . A A . 15 LYS O 1 1 6 1695 1 1 16 SER C C 10.742 3.637 -2.100 1.00 . A A . 16 SER C 1 1 6 1696 1 1 16 SER CA C 10.755 2.238 -2.727 1.00 . A A . 16 SER CA 1 1 6 1697 1 1 16 SER CB C 9.484 2.009 -3.546 1.00 . A A . 16 SER CB 1 1 6 1698 1 1 16 SER H H 9.969 0.578 -1.605 1.00 . A A . 16 SER H 1 1 6 1699 1 1 16 SER HA H 11.619 2.118 -3.355 1.00 . A A . 16 SER HA 1 1 6 1700 1 1 16 SER HB2 H 8.820 1.355 -3.007 1.00 . A A . 16 SER HB2 1 1 6 1701 1 1 16 SER HB3 H 8.991 2.958 -3.716 1.00 . A A . 16 SER HB3 1 1 6 1702 1 1 16 SER HG H 10.320 0.607 -4.602 1.00 . A A . 16 SER HG 1 1 6 1703 1 1 16 SER N N 10.734 1.181 -1.674 1.00 . A A . 16 SER N 1 1 6 1704 1 1 16 SER O O 10.981 4.624 -2.768 1.00 . A A . 16 SER O 1 1 6 1705 1 1 16 SER OG O 9.828 1.409 -4.787 1.00 . A A . 16 SER OG 1 1 6 1706 1 1 17 PHE C C 11.696 5.869 -0.477 1.00 . A A . 17 PHE C 1 1 6 1707 1 1 17 PHE CA C 10.425 5.070 -0.157 1.00 . A A . 17 PHE CA 1 1 6 1708 1 1 17 PHE CB C 10.334 4.767 1.344 1.00 . A A . 17 PHE CB 1 1 6 1709 1 1 17 PHE CD1 C 12.721 4.967 2.142 1.00 . A A . 17 PHE CD1 1 1 6 1710 1 1 17 PHE CD2 C 11.727 2.761 1.989 1.00 . A A . 17 PHE CD2 1 1 6 1711 1 1 17 PHE CE1 C 13.914 4.397 2.600 1.00 . A A . 17 PHE CE1 1 1 6 1712 1 1 17 PHE CE2 C 12.922 2.191 2.448 1.00 . A A . 17 PHE CE2 1 1 6 1713 1 1 17 PHE CG C 11.626 4.148 1.835 1.00 . A A . 17 PHE CG 1 1 6 1714 1 1 17 PHE CZ C 14.014 3.010 2.753 1.00 . A A . 17 PHE CZ 1 1 6 1715 1 1 17 PHE H H 10.264 2.924 -0.309 1.00 . A A . 17 PHE H 1 1 6 1716 1 1 17 PHE HA H 9.552 5.619 -0.472 1.00 . A A . 17 PHE HA 1 1 6 1717 1 1 17 PHE HB2 H 10.150 5.685 1.883 1.00 . A A . 17 PHE HB2 1 1 6 1718 1 1 17 PHE HB3 H 9.519 4.081 1.521 1.00 . A A . 17 PHE HB3 1 1 6 1719 1 1 17 PHE HD1 H 12.643 6.038 2.024 1.00 . A A . 17 PHE HD1 1 1 6 1720 1 1 17 PHE HD2 H 10.885 2.128 1.752 1.00 . A A . 17 PHE HD2 1 1 6 1721 1 1 17 PHE HE1 H 14.758 5.029 2.835 1.00 . A A . 17 PHE HE1 1 1 6 1722 1 1 17 PHE HE2 H 13.000 1.121 2.568 1.00 . A A . 17 PHE HE2 1 1 6 1723 1 1 17 PHE HZ H 14.936 2.572 3.108 1.00 . A A . 17 PHE HZ 1 1 6 1724 1 1 17 PHE N N 10.459 3.731 -0.825 1.00 . A A . 17 PHE N 1 1 6 1725 1 1 17 PHE O O 12.744 5.305 -0.721 1.00 . A A . 17 PHE O 1 1 6 1726 1 1 18 NH2 HN1 H 12.449 7.695 -0.685 1.00 . A A . 18 NH2 HN1 1 1 6 1727 1 1 18 NH2 HN2 H 10.800 7.631 -0.287 1.00 . A A . 18 NH2 HN2 1 1 6 1728 1 1 18 NH2 N N 11.643 7.173 -0.483 1.00 . A A . 18 NH2 N 1 1 7 1729 1 1 1 MET C C -12.608 -0.507 6.589 1.00 . A A . 1 MET C 1 1 7 1730 1 1 1 MET CA C -13.096 -0.817 8.007 1.00 . A A . 1 MET CA 1 1 7 1731 1 1 1 MET CB C -13.015 -2.319 8.286 1.00 . A A . 1 MET CB 1 1 7 1732 1 1 1 MET CE C -10.198 -4.719 9.881 1.00 . A A . 1 MET CE 1 1 7 1733 1 1 1 MET CG C -11.701 -2.636 9.002 1.00 . A A . 1 MET CG 1 1 7 1734 1 1 1 MET H1 H -15.068 -0.877 7.339 1.00 . A A . 1 MET H1 1 1 7 1735 1 1 1 MET H2 H -14.654 0.558 8.149 1.00 . A A . 1 MET H2 1 1 7 1736 1 1 1 MET H3 H -14.911 -0.873 9.028 1.00 . A A . 1 MET H3 1 1 7 1737 1 1 1 MET HA H -12.512 -0.276 8.735 1.00 . A A . 1 MET HA 1 1 7 1738 1 1 1 MET HB2 H -13.847 -2.615 8.909 1.00 . A A . 1 MET HB2 1 1 7 1739 1 1 1 MET HB3 H -13.053 -2.861 7.353 1.00 . A A . 1 MET HB3 1 1 7 1740 1 1 1 MET HE1 H -10.177 -5.647 9.326 1.00 . A A . 1 MET HE1 1 1 7 1741 1 1 1 MET HE2 H -9.801 -4.878 10.874 1.00 . A A . 1 MET HE2 1 1 7 1742 1 1 1 MET HE3 H -9.598 -3.985 9.369 1.00 . A A . 1 MET HE3 1 1 7 1743 1 1 1 MET HG2 H -10.921 -2.794 8.272 1.00 . A A . 1 MET HG2 1 1 7 1744 1 1 1 MET HG3 H -11.432 -1.808 9.643 1.00 . A A . 1 MET HG3 1 1 7 1745 1 1 1 MET N N -14.541 -0.476 8.141 1.00 . A A . 1 MET N 1 1 7 1746 1 1 1 MET O O -13.263 -0.822 5.615 1.00 . A A . 1 MET O 1 1 7 1747 1 1 1 MET SD S -11.905 -4.131 10.002 1.00 . A A . 1 MET SD 1 1 7 1748 1 1 2 ALA C C -9.408 0.606 5.173 1.00 . A A . 2 ALA C 1 1 7 1749 1 1 2 ALA CA C -10.929 0.439 5.115 1.00 . A A . 2 ALA CA 1 1 7 1750 1 1 2 ALA CB C -11.598 1.761 4.738 1.00 . A A . 2 ALA CB 1 1 7 1751 1 1 2 ALA H H -10.951 0.351 7.269 1.00 . A A . 2 ALA H 1 1 7 1752 1 1 2 ALA HA H -11.198 -0.327 4.405 1.00 . A A . 2 ALA HA 1 1 7 1753 1 1 2 ALA HB1 H -10.973 2.294 4.037 1.00 . A A . 2 ALA HB1 1 1 7 1754 1 1 2 ALA HB2 H -11.735 2.361 5.625 1.00 . A A . 2 ALA HB2 1 1 7 1755 1 1 2 ALA HB3 H -12.558 1.562 4.285 1.00 . A A . 2 ALA HB3 1 1 7 1756 1 1 2 ALA N N -11.462 0.107 6.469 1.00 . A A . 2 ALA N 1 1 7 1757 1 1 2 ALA O O -8.888 1.361 5.970 1.00 . A A . 2 ALA O 1 1 7 1758 1 1 3 THR C C -6.636 -0.332 2.965 1.00 . A A . 3 THR C 1 1 7 1759 1 1 3 THR CA C -7.204 0.022 4.340 1.00 . A A . 3 THR CA 1 1 7 1760 1 1 3 THR CB C -6.730 -0.980 5.398 1.00 . A A . 3 THR CB 1 1 7 1761 1 1 3 THR CG2 C -7.187 -2.391 5.020 1.00 . A A . 3 THR CG2 1 1 7 1762 1 1 3 THR H H -9.133 -0.699 3.700 1.00 . A A . 3 THR H 1 1 7 1763 1 1 3 THR HA H -6.909 1.020 4.620 1.00 . A A . 3 THR HA 1 1 7 1764 1 1 3 THR HB H -7.149 -0.716 6.356 1.00 . A A . 3 THR HB 1 1 7 1765 1 1 3 THR HG1 H -4.960 -1.275 4.646 1.00 . A A . 3 THR HG1 1 1 7 1766 1 1 3 THR HG21 H -7.521 -2.910 5.906 1.00 . A A . 3 THR HG21 1 1 7 1767 1 1 3 THR HG22 H -6.363 -2.929 4.576 1.00 . A A . 3 THR HG22 1 1 7 1768 1 1 3 THR HG23 H -7.999 -2.330 4.311 1.00 . A A . 3 THR HG23 1 1 7 1769 1 1 3 THR N N -8.692 -0.095 4.333 1.00 . A A . 3 THR N 1 1 7 1770 1 1 3 THR O O -5.661 -1.050 2.852 1.00 . A A . 3 THR O 1 1 7 1771 1 1 3 THR OG1 O -5.311 -0.945 5.476 1.00 . A A . 3 THR OG1 1 1 7 1772 1 1 4 LEU C C -5.436 0.627 0.292 1.00 . A A . 4 LEU C 1 1 7 1773 1 1 4 LEU CA C -6.733 -0.136 0.552 1.00 . A A . 4 LEU CA 1 1 7 1774 1 1 4 LEU CB C -7.838 0.327 -0.398 1.00 . A A . 4 LEU CB 1 1 7 1775 1 1 4 LEU CD1 C -10.301 0.089 -0.748 1.00 . A A . 4 LEU CD1 1 1 7 1776 1 1 4 LEU CD2 C -8.779 -1.836 -1.219 1.00 . A A . 4 LEU CD2 1 1 7 1777 1 1 4 LEU CG C -9.026 -0.632 -0.306 1.00 . A A . 4 LEU CG 1 1 7 1778 1 1 4 LEU H H -8.018 0.741 2.034 1.00 . A A . 4 LEU H 1 1 7 1779 1 1 4 LEU HA H -6.571 -1.193 0.444 1.00 . A A . 4 LEU HA 1 1 7 1780 1 1 4 LEU HB2 H -8.155 1.323 -0.121 1.00 . A A . 4 LEU HB2 1 1 7 1781 1 1 4 LEU HB3 H -7.463 0.338 -1.409 1.00 . A A . 4 LEU HB3 1 1 7 1782 1 1 4 LEU HD11 H -11.163 -0.494 -0.458 1.00 . A A . 4 LEU HD11 1 1 7 1783 1 1 4 LEU HD12 H -10.292 0.211 -1.822 1.00 . A A . 4 LEU HD12 1 1 7 1784 1 1 4 LEU HD13 H -10.347 1.060 -0.277 1.00 . A A . 4 LEU HD13 1 1 7 1785 1 1 4 LEU HD21 H -9.695 -2.398 -1.327 1.00 . A A . 4 LEU HD21 1 1 7 1786 1 1 4 LEU HD22 H -8.019 -2.466 -0.784 1.00 . A A . 4 LEU HD22 1 1 7 1787 1 1 4 LEU HD23 H -8.452 -1.491 -2.188 1.00 . A A . 4 LEU HD23 1 1 7 1788 1 1 4 LEU HG H -9.139 -0.968 0.715 1.00 . A A . 4 LEU HG 1 1 7 1789 1 1 4 LEU N N -7.237 0.167 1.919 1.00 . A A . 4 LEU N 1 1 7 1790 1 1 4 LEU O O -4.420 0.040 -0.022 1.00 . A A . 4 LEU O 1 1 7 1791 1 1 5 GLU C C -3.108 2.178 1.124 1.00 . A A . 5 GLU C 1 1 7 1792 1 1 5 GLU CA C -4.200 2.704 0.201 1.00 . A A . 5 GLU CA 1 1 7 1793 1 1 5 GLU CB C -4.549 4.158 0.530 1.00 . A A . 5 GLU CB 1 1 7 1794 1 1 5 GLU CD C -5.556 6.115 -0.653 1.00 . A A . 5 GLU CD 1 1 7 1795 1 1 5 GLU CG C -4.519 4.995 -0.751 1.00 . A A . 5 GLU CG 1 1 7 1796 1 1 5 GLU H H -6.275 2.385 0.694 1.00 . A A . 5 GLU H 1 1 7 1797 1 1 5 GLU HA H -3.889 2.612 -0.824 1.00 . A A . 5 GLU HA 1 1 7 1798 1 1 5 GLU HB2 H -5.536 4.201 0.967 1.00 . A A . 5 GLU HB2 1 1 7 1799 1 1 5 GLU HB3 H -3.828 4.552 1.231 1.00 . A A . 5 GLU HB3 1 1 7 1800 1 1 5 GLU HG2 H -3.535 5.424 -0.877 1.00 . A A . 5 GLU HG2 1 1 7 1801 1 1 5 GLU HG3 H -4.750 4.367 -1.597 1.00 . A A . 5 GLU HG3 1 1 7 1802 1 1 5 GLU N N -5.451 1.926 0.431 1.00 . A A . 5 GLU N 1 1 7 1803 1 1 5 GLU O O -1.949 2.119 0.764 1.00 . A A . 5 GLU O 1 1 7 1804 1 1 5 GLU OE1 O -5.392 6.975 0.197 1.00 . A A . 5 GLU OE1 1 1 7 1805 1 1 5 GLU OE2 O -6.498 6.093 -1.429 1.00 . A A . 5 GLU OE2 1 1 7 1806 1 1 6 LYS C C -1.898 -0.088 2.626 1.00 . A A . 6 LYS C 1 1 7 1807 1 1 6 LYS CA C -2.472 1.194 3.235 1.00 . A A . 6 LYS CA 1 1 7 1808 1 1 6 LYS CB C -3.243 0.886 4.519 1.00 . A A . 6 LYS CB 1 1 7 1809 1 1 6 LYS CD C -2.140 1.992 6.472 1.00 . A A . 6 LYS CD 1 1 7 1810 1 1 6 LYS CE C -2.608 2.618 7.789 1.00 . A A . 6 LYS CE 1 1 7 1811 1 1 6 LYS CG C -3.248 2.121 5.424 1.00 . A A . 6 LYS CG 1 1 7 1812 1 1 6 LYS H H -4.422 1.791 2.560 1.00 . A A . 6 LYS H 1 1 7 1813 1 1 6 LYS HA H -1.693 1.911 3.429 1.00 . A A . 6 LYS HA 1 1 7 1814 1 1 6 LYS HB2 H -4.260 0.616 4.271 1.00 . A A . 6 LYS HB2 1 1 7 1815 1 1 6 LYS HB3 H -2.769 0.065 5.035 1.00 . A A . 6 LYS HB3 1 1 7 1816 1 1 6 LYS HD2 H -1.914 0.947 6.630 1.00 . A A . 6 LYS HD2 1 1 7 1817 1 1 6 LYS HD3 H -1.256 2.505 6.127 1.00 . A A . 6 LYS HD3 1 1 7 1818 1 1 6 LYS HE2 H -1.761 2.997 8.344 1.00 . A A . 6 LYS HE2 1 1 7 1819 1 1 6 LYS HE3 H -3.320 3.406 7.600 1.00 . A A . 6 LYS HE3 1 1 7 1820 1 1 6 LYS HG2 H -3.079 3.005 4.826 1.00 . A A . 6 LYS HG2 1 1 7 1821 1 1 6 LYS HG3 H -4.204 2.199 5.920 1.00 . A A . 6 LYS HG3 1 1 7 1822 1 1 6 LYS HZ1 H -3.947 1.028 7.910 1.00 . A A . 6 LYS HZ1 1 1 7 1823 1 1 6 LYS HZ2 H -3.761 1.887 9.360 1.00 . A A . 6 LYS HZ2 1 1 7 1824 1 1 6 LYS HZ3 H -2.542 0.824 8.842 1.00 . A A . 6 LYS HZ3 1 1 7 1825 1 1 6 LYS N N -3.480 1.759 2.302 1.00 . A A . 6 LYS N 1 1 7 1826 1 1 6 LYS NZ N -3.263 1.506 8.531 1.00 . A A . 6 LYS NZ 1 1 7 1827 1 1 6 LYS O O -0.877 -0.590 3.057 1.00 . A A . 6 LYS O 1 1 7 1828 1 1 7 LEU C C -1.197 -1.490 -0.249 1.00 . A A . 7 LEU C 1 1 7 1829 1 1 7 LEU CA C -2.054 -1.857 0.972 1.00 . A A . 7 LEU CA 1 1 7 1830 1 1 7 LEU CB C -3.328 -2.638 0.588 1.00 . A A . 7 LEU CB 1 1 7 1831 1 1 7 LEU CD1 C -2.832 -3.503 -1.711 1.00 . A A . 7 LEU CD1 1 1 7 1832 1 1 7 LEU CD2 C -5.143 -2.739 -1.135 1.00 . A A . 7 LEU CD2 1 1 7 1833 1 1 7 LEU CG C -3.647 -2.487 -0.906 1.00 . A A . 7 LEU CG 1 1 7 1834 1 1 7 LEU H H -3.367 -0.198 1.284 1.00 . A A . 7 LEU H 1 1 7 1835 1 1 7 LEU HA H -1.476 -2.426 1.674 1.00 . A A . 7 LEU HA 1 1 7 1836 1 1 7 LEU HB2 H -3.186 -3.683 0.815 1.00 . A A . 7 LEU HB2 1 1 7 1837 1 1 7 LEU HB3 H -4.161 -2.260 1.165 1.00 . A A . 7 LEU HB3 1 1 7 1838 1 1 7 LEU HD11 H -2.020 -3.874 -1.103 1.00 . A A . 7 LEU HD11 1 1 7 1839 1 1 7 LEU HD12 H -2.431 -3.025 -2.593 1.00 . A A . 7 LEU HD12 1 1 7 1840 1 1 7 LEU HD13 H -3.467 -4.326 -2.004 1.00 . A A . 7 LEU HD13 1 1 7 1841 1 1 7 LEU HD21 H -5.643 -2.836 -0.182 1.00 . A A . 7 LEU HD21 1 1 7 1842 1 1 7 LEU HD22 H -5.274 -3.648 -1.704 1.00 . A A . 7 LEU HD22 1 1 7 1843 1 1 7 LEU HD23 H -5.567 -1.910 -1.680 1.00 . A A . 7 LEU HD23 1 1 7 1844 1 1 7 LEU HG H -3.398 -1.490 -1.230 1.00 . A A . 7 LEU HG 1 1 7 1845 1 1 7 LEU N N -2.551 -0.619 1.618 1.00 . A A . 7 LEU N 1 1 7 1846 1 1 7 LEU O O -0.284 -2.201 -0.617 1.00 . A A . 7 LEU O 1 1 7 1847 1 1 8 MET C C 0.559 0.789 -1.598 1.00 . A A . 8 MET C 1 1 7 1848 1 1 8 MET CA C -0.704 0.057 -2.054 1.00 . A A . 8 MET CA 1 1 7 1849 1 1 8 MET CB C -1.629 1.003 -2.821 1.00 . A A . 8 MET CB 1 1 7 1850 1 1 8 MET CE C -3.441 2.511 -4.945 1.00 . A A . 8 MET CE 1 1 7 1851 1 1 8 MET CG C -1.388 0.845 -4.324 1.00 . A A . 8 MET CG 1 1 7 1852 1 1 8 MET H H -2.225 0.179 -0.550 1.00 . A A . 8 MET H 1 1 7 1853 1 1 8 MET HA H -0.453 -0.791 -2.663 1.00 . A A . 8 MET HA 1 1 7 1854 1 1 8 MET HB2 H -2.658 0.763 -2.593 1.00 . A A . 8 MET HB2 1 1 7 1855 1 1 8 MET HB3 H -1.423 2.022 -2.530 1.00 . A A . 8 MET HB3 1 1 7 1856 1 1 8 MET HE1 H -3.738 1.854 -4.140 1.00 . A A . 8 MET HE1 1 1 7 1857 1 1 8 MET HE2 H -3.919 2.201 -5.865 1.00 . A A . 8 MET HE2 1 1 7 1858 1 1 8 MET HE3 H -3.737 3.521 -4.711 1.00 . A A . 8 MET HE3 1 1 7 1859 1 1 8 MET HG2 H -0.375 0.512 -4.493 1.00 . A A . 8 MET HG2 1 1 7 1860 1 1 8 MET HG3 H -2.078 0.117 -4.725 1.00 . A A . 8 MET HG3 1 1 7 1861 1 1 8 MET N N -1.490 -0.375 -0.869 1.00 . A A . 8 MET N 1 1 7 1862 1 1 8 MET O O 1.665 0.401 -1.922 1.00 . A A . 8 MET O 1 1 7 1863 1 1 8 MET SD S -1.645 2.436 -5.150 1.00 . A A . 8 MET SD 1 1 7 1864 1 1 9 LYS C C 2.554 1.656 0.371 1.00 . A A . 9 LYS C 1 1 7 1865 1 1 9 LYS CA C 1.592 2.602 -0.353 1.00 . A A . 9 LYS CA 1 1 7 1866 1 1 9 LYS CB C 1.035 3.650 0.615 1.00 . A A . 9 LYS CB 1 1 7 1867 1 1 9 LYS CD C 0.661 5.342 -1.192 1.00 . A A . 9 LYS CD 1 1 7 1868 1 1 9 LYS CE C 1.677 5.600 -2.308 1.00 . A A . 9 LYS CE 1 1 7 1869 1 1 9 LYS CG C 1.397 5.052 0.119 1.00 . A A . 9 LYS CG 1 1 7 1870 1 1 9 LYS H H -0.501 2.134 -0.590 1.00 . A A . 9 LYS H 1 1 7 1871 1 1 9 LYS HA H 2.094 3.086 -1.175 1.00 . A A . 9 LYS HA 1 1 7 1872 1 1 9 LYS HB2 H -0.041 3.555 0.669 1.00 . A A . 9 LYS HB2 1 1 7 1873 1 1 9 LYS HB3 H 1.459 3.498 1.596 1.00 . A A . 9 LYS HB3 1 1 7 1874 1 1 9 LYS HD2 H 0.044 4.494 -1.456 1.00 . A A . 9 LYS HD2 1 1 7 1875 1 1 9 LYS HD3 H 0.037 6.215 -1.069 1.00 . A A . 9 LYS HD3 1 1 7 1876 1 1 9 LYS HE2 H 2.126 6.576 -2.188 1.00 . A A . 9 LYS HE2 1 1 7 1877 1 1 9 LYS HE3 H 2.436 4.832 -2.311 1.00 . A A . 9 LYS HE3 1 1 7 1878 1 1 9 LYS HG2 H 1.110 5.782 0.863 1.00 . A A . 9 LYS HG2 1 1 7 1879 1 1 9 LYS HG3 H 2.463 5.109 -0.047 1.00 . A A . 9 LYS HG3 1 1 7 1880 1 1 9 LYS HZ1 H 0.054 6.156 -3.487 1.00 . A A . 9 LYS HZ1 1 1 7 1881 1 1 9 LYS HZ2 H 0.577 4.562 -3.740 1.00 . A A . 9 LYS HZ2 1 1 7 1882 1 1 9 LYS HZ3 H 1.479 5.860 -4.364 1.00 . A A . 9 LYS HZ3 1 1 7 1883 1 1 9 LYS N N 0.402 1.844 -0.842 1.00 . A A . 9 LYS N 1 1 7 1884 1 1 9 LYS NZ N 0.887 5.540 -3.570 1.00 . A A . 9 LYS NZ 1 1 7 1885 1 1 9 LYS O O 3.735 1.915 0.469 1.00 . A A . 9 LYS O 1 1 7 1886 1 1 10 ALA C C 3.920 -1.038 0.594 1.00 . A A . 10 ALA C 1 1 7 1887 1 1 10 ALA CA C 2.939 -0.405 1.583 1.00 . A A . 10 ALA CA 1 1 7 1888 1 1 10 ALA CB C 1.997 -1.463 2.154 1.00 . A A . 10 ALA CB 1 1 7 1889 1 1 10 ALA H H 1.101 0.368 0.783 1.00 . A A . 10 ALA H 1 1 7 1890 1 1 10 ALA HA H 3.467 0.089 2.380 1.00 . A A . 10 ALA HA 1 1 7 1891 1 1 10 ALA HB1 H 1.645 -1.146 3.124 1.00 . A A . 10 ALA HB1 1 1 7 1892 1 1 10 ALA HB2 H 2.525 -2.401 2.250 1.00 . A A . 10 ALA HB2 1 1 7 1893 1 1 10 ALA HB3 H 1.155 -1.591 1.490 1.00 . A A . 10 ALA HB3 1 1 7 1894 1 1 10 ALA N N 2.055 0.559 0.873 1.00 . A A . 10 ALA N 1 1 7 1895 1 1 10 ALA O O 5.089 -1.202 0.881 1.00 . A A . 10 ALA O 1 1 7 1896 1 1 11 PHE C C 5.355 -0.984 -2.106 1.00 . A A . 11 PHE C 1 1 7 1897 1 1 11 PHE CA C 4.354 -2.016 -1.580 1.00 . A A . 11 PHE CA 1 1 7 1898 1 1 11 PHE CB C 3.425 -2.479 -2.706 1.00 . A A . 11 PHE CB 1 1 7 1899 1 1 11 PHE CD1 C 2.462 -4.035 -0.947 1.00 . A A . 11 PHE CD1 1 1 7 1900 1 1 11 PHE CD2 C 1.111 -3.462 -2.879 1.00 . A A . 11 PHE CD2 1 1 7 1901 1 1 11 PHE CE1 C 1.420 -4.832 -0.457 1.00 . A A . 11 PHE CE1 1 1 7 1902 1 1 11 PHE CE2 C 0.071 -4.259 -2.388 1.00 . A A . 11 PHE CE2 1 1 7 1903 1 1 11 PHE CG C 2.308 -3.348 -2.161 1.00 . A A . 11 PHE CG 1 1 7 1904 1 1 11 PHE CZ C 0.226 -4.944 -1.178 1.00 . A A . 11 PHE CZ 1 1 7 1905 1 1 11 PHE H H 2.508 -1.253 -0.788 1.00 . A A . 11 PHE H 1 1 7 1906 1 1 11 PHE HA H 4.870 -2.859 -1.154 1.00 . A A . 11 PHE HA 1 1 7 1907 1 1 11 PHE HB2 H 2.996 -1.613 -3.186 1.00 . A A . 11 PHE HB2 1 1 7 1908 1 1 11 PHE HB3 H 3.996 -3.042 -3.427 1.00 . A A . 11 PHE HB3 1 1 7 1909 1 1 11 PHE HD1 H 3.383 -3.951 -0.390 1.00 . A A . 11 PHE HD1 1 1 7 1910 1 1 11 PHE HD2 H 0.992 -2.934 -3.813 1.00 . A A . 11 PHE HD2 1 1 7 1911 1 1 11 PHE HE1 H 1.537 -5.361 0.477 1.00 . A A . 11 PHE HE1 1 1 7 1912 1 1 11 PHE HE2 H -0.851 -4.345 -2.944 1.00 . A A . 11 PHE HE2 1 1 7 1913 1 1 11 PHE HZ H -0.578 -5.559 -0.800 1.00 . A A . 11 PHE HZ 1 1 7 1914 1 1 11 PHE N N 3.452 -1.394 -0.572 1.00 . A A . 11 PHE N 1 1 7 1915 1 1 11 PHE O O 6.375 -1.328 -2.671 1.00 . A A . 11 PHE O 1 1 7 1916 1 1 12 GLU C C 6.818 1.915 -1.274 1.00 . A A . 12 GLU C 1 1 7 1917 1 1 12 GLU CA C 6.001 1.332 -2.429 1.00 . A A . 12 GLU CA 1 1 7 1918 1 1 12 GLU CB C 5.094 2.405 -3.036 1.00 . A A . 12 GLU CB 1 1 7 1919 1 1 12 GLU CD C 6.282 3.453 -4.969 1.00 . A A . 12 GLU CD 1 1 7 1920 1 1 12 GLU CG C 5.246 2.406 -4.558 1.00 . A A . 12 GLU CG 1 1 7 1921 1 1 12 GLU H H 4.237 0.535 -1.477 1.00 . A A . 12 GLU H 1 1 7 1922 1 1 12 GLU HA H 6.654 0.929 -3.187 1.00 . A A . 12 GLU HA 1 1 7 1923 1 1 12 GLU HB2 H 4.066 2.197 -2.775 1.00 . A A . 12 GLU HB2 1 1 7 1924 1 1 12 GLU HB3 H 5.373 3.373 -2.647 1.00 . A A . 12 GLU HB3 1 1 7 1925 1 1 12 GLU HG2 H 5.567 1.429 -4.888 1.00 . A A . 12 GLU HG2 1 1 7 1926 1 1 12 GLU HG3 H 4.296 2.646 -5.012 1.00 . A A . 12 GLU HG3 1 1 7 1927 1 1 12 GLU N N 5.069 0.279 -1.931 1.00 . A A . 12 GLU N 1 1 7 1928 1 1 12 GLU O O 8.014 2.101 -1.380 1.00 . A A . 12 GLU O 1 1 7 1929 1 1 12 GLU OE1 O 7.463 3.166 -4.853 1.00 . A A . 12 GLU OE1 1 1 7 1930 1 1 12 GLU OE2 O 5.879 4.524 -5.393 1.00 . A A . 12 GLU OE2 1 1 7 1931 1 1 13 SER C C 7.478 1.701 1.881 1.00 . A A . 13 SER C 1 1 7 1932 1 1 13 SER CA C 6.912 2.800 0.981 1.00 . A A . 13 SER CA 1 1 7 1933 1 1 13 SER CB C 5.870 3.627 1.734 1.00 . A A . 13 SER CB 1 1 7 1934 1 1 13 SER H H 5.216 2.068 -0.119 1.00 . A A . 13 SER H 1 1 7 1935 1 1 13 SER HA H 7.698 3.435 0.631 1.00 . A A . 13 SER HA 1 1 7 1936 1 1 13 SER HB2 H 5.030 3.822 1.090 1.00 . A A . 13 SER HB2 1 1 7 1937 1 1 13 SER HB3 H 5.534 3.077 2.603 1.00 . A A . 13 SER HB3 1 1 7 1938 1 1 13 SER HG H 5.819 5.560 1.948 1.00 . A A . 13 SER HG 1 1 7 1939 1 1 13 SER N N 6.179 2.215 -0.177 1.00 . A A . 13 SER N 1 1 7 1940 1 1 13 SER O O 8.475 1.888 2.551 1.00 . A A . 13 SER O 1 1 7 1941 1 1 13 SER OG O 6.450 4.862 2.134 1.00 . A A . 13 SER OG 1 1 7 1942 1 1 14 LEU C C 8.136 -1.559 1.923 1.00 . A A . 14 LEU C 1 1 7 1943 1 1 14 LEU CA C 7.348 -0.547 2.761 1.00 . A A . 14 LEU CA 1 1 7 1944 1 1 14 LEU CB C 6.095 -1.192 3.356 1.00 . A A . 14 LEU CB 1 1 7 1945 1 1 14 LEU CD1 C 4.875 -1.585 5.502 1.00 . A A . 14 LEU CD1 1 1 7 1946 1 1 14 LEU CD2 C 7.214 -2.417 5.223 1.00 . A A . 14 LEU CD2 1 1 7 1947 1 1 14 LEU CG C 6.240 -1.290 4.876 1.00 . A A . 14 LEU CG 1 1 7 1948 1 1 14 LEU H H 6.054 0.437 1.361 1.00 . A A . 14 LEU H 1 1 7 1949 1 1 14 LEU HA H 7.964 -0.152 3.545 1.00 . A A . 14 LEU HA 1 1 7 1950 1 1 14 LEU HB2 H 5.230 -0.590 3.114 1.00 . A A . 14 LEU HB2 1 1 7 1951 1 1 14 LEU HB3 H 5.969 -2.183 2.945 1.00 . A A . 14 LEU HB3 1 1 7 1952 1 1 14 LEU HD11 H 4.438 -2.448 5.022 1.00 . A A . 14 LEU HD11 1 1 7 1953 1 1 14 LEU HD12 H 4.226 -0.732 5.370 1.00 . A A . 14 LEU HD12 1 1 7 1954 1 1 14 LEU HD13 H 4.998 -1.784 6.557 1.00 . A A . 14 LEU HD13 1 1 7 1955 1 1 14 LEU HD21 H 7.161 -2.625 6.282 1.00 . A A . 14 LEU HD21 1 1 7 1956 1 1 14 LEU HD22 H 8.218 -2.118 4.964 1.00 . A A . 14 LEU HD22 1 1 7 1957 1 1 14 LEU HD23 H 6.948 -3.306 4.670 1.00 . A A . 14 LEU HD23 1 1 7 1958 1 1 14 LEU HG H 6.617 -0.353 5.263 1.00 . A A . 14 LEU HG 1 1 7 1959 1 1 14 LEU N N 6.851 0.561 1.903 1.00 . A A . 14 LEU N 1 1 7 1960 1 1 14 LEU O O 8.118 -2.745 2.188 1.00 . A A . 14 LEU O 1 1 7 1961 1 1 15 LYS C C 10.817 -2.570 0.854 1.00 . A A . 15 LYS C 1 1 7 1962 1 1 15 LYS CA C 9.624 -2.031 0.065 1.00 . A A . 15 LYS CA 1 1 7 1963 1 1 15 LYS CB C 10.100 -1.184 -1.117 1.00 . A A . 15 LYS CB 1 1 7 1964 1 1 15 LYS CD C 9.717 -1.192 -3.588 1.00 . A A . 15 LYS CD 1 1 7 1965 1 1 15 LYS CE C 9.452 -2.102 -4.789 1.00 . A A . 15 LYS CE 1 1 7 1966 1 1 15 LYS CG C 10.127 -2.043 -2.383 1.00 . A A . 15 LYS CG 1 1 7 1967 1 1 15 LYS H H 8.833 -0.136 0.725 1.00 . A A . 15 LYS H 1 1 7 1968 1 1 15 LYS HA H 9.009 -2.838 -0.285 1.00 . A A . 15 LYS HA 1 1 7 1969 1 1 15 LYS HB2 H 9.424 -0.353 -1.260 1.00 . A A . 15 LYS HB2 1 1 7 1970 1 1 15 LYS HB3 H 11.093 -0.811 -0.918 1.00 . A A . 15 LYS HB3 1 1 7 1971 1 1 15 LYS HD2 H 8.821 -0.638 -3.348 1.00 . A A . 15 LYS HD2 1 1 7 1972 1 1 15 LYS HD3 H 10.513 -0.503 -3.830 1.00 . A A . 15 LYS HD3 1 1 7 1973 1 1 15 LYS HE2 H 9.030 -3.043 -4.462 1.00 . A A . 15 LYS HE2 1 1 7 1974 1 1 15 LYS HE3 H 8.791 -1.616 -5.491 1.00 . A A . 15 LYS HE3 1 1 7 1975 1 1 15 LYS HG2 H 11.124 -2.428 -2.536 1.00 . A A . 15 LYS HG2 1 1 7 1976 1 1 15 LYS HG3 H 9.436 -2.866 -2.276 1.00 . A A . 15 LYS HG3 1 1 7 1977 1 1 15 LYS HZ1 H 11.197 -1.400 -5.679 1.00 . A A . 15 LYS HZ1 1 1 7 1978 1 1 15 LYS HZ2 H 10.685 -2.909 -6.259 1.00 . A A . 15 LYS HZ2 1 1 7 1979 1 1 15 LYS HZ3 H 11.414 -2.791 -4.729 1.00 . A A . 15 LYS HZ3 1 1 7 1980 1 1 15 LYS N N 8.830 -1.097 0.917 1.00 . A A . 15 LYS N 1 1 7 1981 1 1 15 LYS NZ N 10.788 -2.317 -5.411 1.00 . A A . 15 LYS NZ 1 1 7 1982 1 1 15 LYS O O 11.236 -3.698 0.682 1.00 . A A . 15 LYS O 1 1 7 1983 1 1 16 SER C C 13.095 -0.948 3.267 1.00 . A A . 16 SER C 1 1 7 1984 1 1 16 SER CA C 12.534 -2.175 2.550 1.00 . A A . 16 SER CA 1 1 7 1985 1 1 16 SER CB C 13.568 -2.734 1.569 1.00 . A A . 16 SER CB 1 1 7 1986 1 1 16 SER H H 10.990 -0.860 1.830 1.00 . A A . 16 SER H 1 1 7 1987 1 1 16 SER HA H 12.245 -2.929 3.261 1.00 . A A . 16 SER HA 1 1 7 1988 1 1 16 SER HB2 H 13.351 -2.384 0.574 1.00 . A A . 16 SER HB2 1 1 7 1989 1 1 16 SER HB3 H 14.556 -2.397 1.858 1.00 . A A . 16 SER HB3 1 1 7 1990 1 1 16 SER HG H 12.635 -4.422 1.309 1.00 . A A . 16 SER HG 1 1 7 1991 1 1 16 SER N N 11.361 -1.759 1.720 1.00 . A A . 16 SER N 1 1 7 1992 1 1 16 SER O O 13.668 -1.036 4.335 1.00 . A A . 16 SER O 1 1 7 1993 1 1 16 SER OG O 13.514 -4.154 1.587 1.00 . A A . 16 SER OG 1 1 7 1994 1 1 17 PHE C C 12.366 2.049 4.227 1.00 . A A . 17 PHE C 1 1 7 1995 1 1 17 PHE CA C 13.421 1.462 3.285 1.00 . A A . 17 PHE CA 1 1 7 1996 1 1 17 PHE CB C 13.690 2.425 2.114 1.00 . A A . 17 PHE CB 1 1 7 1997 1 1 17 PHE CD1 C 11.319 2.426 1.237 1.00 . A A . 17 PHE CD1 1 1 7 1998 1 1 17 PHE CD2 C 13.115 1.762 -0.251 1.00 . A A . 17 PHE CD2 1 1 7 1999 1 1 17 PHE CE1 C 10.391 2.205 0.212 1.00 . A A . 17 PHE CE1 1 1 7 2000 1 1 17 PHE CE2 C 12.187 1.543 -1.275 1.00 . A A . 17 PHE CE2 1 1 7 2001 1 1 17 PHE CG C 12.682 2.204 1.005 1.00 . A A . 17 PHE CG 1 1 7 2002 1 1 17 PHE CZ C 10.826 1.764 -1.044 1.00 . A A . 17 PHE CZ 1 1 7 2003 1 1 17 PHE H H 12.453 0.224 1.822 1.00 . A A . 17 PHE H 1 1 7 2004 1 1 17 PHE HA H 14.333 1.271 3.817 1.00 . A A . 17 PHE HA 1 1 7 2005 1 1 17 PHE HB2 H 13.615 3.444 2.467 1.00 . A A . 17 PHE HB2 1 1 7 2006 1 1 17 PHE HB3 H 14.686 2.253 1.732 1.00 . A A . 17 PHE HB3 1 1 7 2007 1 1 17 PHE HD1 H 10.983 2.767 2.206 1.00 . A A . 17 PHE HD1 1 1 7 2008 1 1 17 PHE HD2 H 14.165 1.591 -0.431 1.00 . A A . 17 PHE HD2 1 1 7 2009 1 1 17 PHE HE1 H 9.340 2.373 0.391 1.00 . A A . 17 PHE HE1 1 1 7 2010 1 1 17 PHE HE2 H 12.522 1.201 -2.243 1.00 . A A . 17 PHE HE2 1 1 7 2011 1 1 17 PHE HZ H 10.110 1.593 -1.834 1.00 . A A . 17 PHE HZ 1 1 7 2012 1 1 17 PHE N N 12.919 0.197 2.673 1.00 . A A . 17 PHE N 1 1 7 2013 1 1 17 PHE O O 12.101 3.234 4.203 1.00 . A A . 17 PHE O 1 1 7 2014 1 1 18 NH2 HN1 H 11.069 1.627 5.670 1.00 . A A . 18 NH2 HN1 1 1 7 2015 1 1 18 NH2 HN2 H 11.959 0.305 5.085 1.00 . A A . 18 NH2 HN2 1 1 7 2016 1 1 18 NH2 N N 11.746 1.261 5.063 1.00 . A A . 18 NH2 N 1 1 8 2017 1 1 1 MET C C -13.398 0.512 2.464 1.00 . A A . 1 MET C 1 1 8 2018 1 1 1 MET CA C -14.553 1.249 3.152 1.00 . A A . 1 MET CA 1 1 8 2019 1 1 1 MET CB C -15.885 0.523 2.918 1.00 . A A . 1 MET CB 1 1 8 2020 1 1 1 MET CE C -16.982 1.934 -0.555 1.00 . A A . 1 MET CE 1 1 8 2021 1 1 1 MET CG C -16.105 0.286 1.418 1.00 . A A . 1 MET CG 1 1 8 2022 1 1 1 MET H1 H -15.116 2.517 1.594 1.00 . A A . 1 MET H1 1 1 8 2023 1 1 1 MET H2 H -13.820 3.096 2.525 1.00 . A A . 1 MET H2 1 1 8 2024 1 1 1 MET H3 H -15.402 3.152 3.139 1.00 . A A . 1 MET H3 1 1 8 2025 1 1 1 MET HA H -14.364 1.331 4.211 1.00 . A A . 1 MET HA 1 1 8 2026 1 1 1 MET HB2 H -15.866 -0.428 3.432 1.00 . A A . 1 MET HB2 1 1 8 2027 1 1 1 MET HB3 H -16.692 1.124 3.310 1.00 . A A . 1 MET HB3 1 1 8 2028 1 1 1 MET HE1 H -16.606 1.207 -1.262 1.00 . A A . 1 MET HE1 1 1 8 2029 1 1 1 MET HE2 H -16.181 2.591 -0.245 1.00 . A A . 1 MET HE2 1 1 8 2030 1 1 1 MET HE3 H -17.762 2.516 -1.020 1.00 . A A . 1 MET HE3 1 1 8 2031 1 1 1 MET HG2 H -15.280 0.705 0.860 1.00 . A A . 1 MET HG2 1 1 8 2032 1 1 1 MET HG3 H -16.162 -0.776 1.228 1.00 . A A . 1 MET HG3 1 1 8 2033 1 1 1 MET N N -14.737 2.605 2.557 1.00 . A A . 1 MET N 1 1 8 2034 1 1 1 MET O O -12.876 -0.458 2.979 1.00 . A A . 1 MET O 1 1 8 2035 1 1 1 MET SD S -17.648 1.075 0.892 1.00 . A A . 1 MET SD 1 1 8 2036 1 1 2 ALA C C -10.545 0.572 1.299 1.00 . A A . 2 ALA C 1 1 8 2037 1 1 2 ALA CA C -11.872 0.288 0.589 1.00 . A A . 2 ALA CA 1 1 8 2038 1 1 2 ALA CB C -11.871 0.896 -0.814 1.00 . A A . 2 ALA CB 1 1 8 2039 1 1 2 ALA H H -13.426 1.746 0.905 1.00 . A A . 2 ALA H 1 1 8 2040 1 1 2 ALA HA H -12.048 -0.775 0.530 1.00 . A A . 2 ALA HA 1 1 8 2041 1 1 2 ALA HB1 H -11.516 1.916 -0.763 1.00 . A A . 2 ALA HB1 1 1 8 2042 1 1 2 ALA HB2 H -12.874 0.884 -1.214 1.00 . A A . 2 ALA HB2 1 1 8 2043 1 1 2 ALA HB3 H -11.220 0.322 -1.456 1.00 . A A . 2 ALA HB3 1 1 8 2044 1 1 2 ALA N N -12.994 0.963 1.305 1.00 . A A . 2 ALA N 1 1 8 2045 1 1 2 ALA O O -10.321 1.657 1.800 1.00 . A A . 2 ALA O 1 1 8 2046 1 1 3 THR C C -7.206 -0.517 1.074 1.00 . A A . 3 THR C 1 1 8 2047 1 1 3 THR CA C -8.356 -0.179 2.024 1.00 . A A . 3 THR CA 1 1 8 2048 1 1 3 THR CB C -8.366 -1.132 3.220 1.00 . A A . 3 THR CB 1 1 8 2049 1 1 3 THR CG2 C -9.410 -0.667 4.237 1.00 . A A . 3 THR CG2 1 1 8 2050 1 1 3 THR H H -9.870 -1.260 0.936 1.00 . A A . 3 THR H 1 1 8 2051 1 1 3 THR HA H -8.271 0.840 2.366 1.00 . A A . 3 THR HA 1 1 8 2052 1 1 3 THR HB H -7.393 -1.136 3.687 1.00 . A A . 3 THR HB 1 1 8 2053 1 1 3 THR HG1 H -9.607 -2.453 2.512 1.00 . A A . 3 THR HG1 1 1 8 2054 1 1 3 THR HG21 H -9.850 -1.527 4.721 1.00 . A A . 3 THR HG21 1 1 8 2055 1 1 3 THR HG22 H -10.181 -0.105 3.731 1.00 . A A . 3 THR HG22 1 1 8 2056 1 1 3 THR HG23 H -8.936 -0.039 4.978 1.00 . A A . 3 THR HG23 1 1 8 2057 1 1 3 THR N N -9.667 -0.393 1.346 1.00 . A A . 3 THR N 1 1 8 2058 1 1 3 THR O O -6.258 -1.184 1.443 1.00 . A A . 3 THR O 1 1 8 2059 1 1 3 THR OG1 O -8.685 -2.444 2.776 1.00 . A A . 3 THR OG1 1 1 8 2060 1 1 4 LEU C C -4.983 0.525 -0.833 1.00 . A A . 4 LEU C 1 1 8 2061 1 1 4 LEU CA C -6.198 -0.354 -1.122 1.00 . A A . 4 LEU CA 1 1 8 2062 1 1 4 LEU CB C -6.790 -0.029 -2.495 1.00 . A A . 4 LEU CB 1 1 8 2063 1 1 4 LEU CD1 C -8.966 -0.450 -3.652 1.00 . A A . 4 LEU CD1 1 1 8 2064 1 1 4 LEU CD2 C -7.148 -2.157 -3.754 1.00 . A A . 4 LEU CD2 1 1 8 2065 1 1 4 LEU CG C -7.817 -1.097 -2.877 1.00 . A A . 4 LEU CG 1 1 8 2066 1 1 4 LEU H H -8.053 0.470 -0.422 1.00 . A A . 4 LEU H 1 1 8 2067 1 1 4 LEU HA H -5.925 -1.394 -1.072 1.00 . A A . 4 LEU HA 1 1 8 2068 1 1 4 LEU HB2 H -7.272 0.937 -2.459 1.00 . A A . 4 LEU HB2 1 1 8 2069 1 1 4 LEU HB3 H -6.001 -0.010 -3.232 1.00 . A A . 4 LEU HB3 1 1 8 2070 1 1 4 LEU HD11 H -8.583 -0.006 -4.560 1.00 . A A . 4 LEU HD11 1 1 8 2071 1 1 4 LEU HD12 H -9.424 0.316 -3.044 1.00 . A A . 4 LEU HD12 1 1 8 2072 1 1 4 LEU HD13 H -9.701 -1.200 -3.900 1.00 . A A . 4 LEU HD13 1 1 8 2073 1 1 4 LEU HD21 H -6.888 -1.723 -4.709 1.00 . A A . 4 LEU HD21 1 1 8 2074 1 1 4 LEU HD22 H -7.830 -2.980 -3.908 1.00 . A A . 4 LEU HD22 1 1 8 2075 1 1 4 LEU HD23 H -6.254 -2.517 -3.267 1.00 . A A . 4 LEU HD23 1 1 8 2076 1 1 4 LEU HG H -8.204 -1.561 -1.981 1.00 . A A . 4 LEU HG 1 1 8 2077 1 1 4 LEU N N -7.283 -0.063 -0.147 1.00 . A A . 4 LEU N 1 1 8 2078 1 1 4 LEU O O -3.882 0.036 -0.688 1.00 . A A . 4 LEU O 1 1 8 2079 1 1 5 GLU C C -3.353 2.262 0.866 1.00 . A A . 5 GLU C 1 1 8 2080 1 1 5 GLU CA C -4.005 2.706 -0.437 1.00 . A A . 5 GLU CA 1 1 8 2081 1 1 5 GLU CB C -4.586 4.115 -0.311 1.00 . A A . 5 GLU CB 1 1 8 2082 1 1 5 GLU CD C -5.117 6.191 -1.595 1.00 . A A . 5 GLU CD 1 1 8 2083 1 1 5 GLU CG C -4.287 4.907 -1.585 1.00 . A A . 5 GLU CG 1 1 8 2084 1 1 5 GLU H H -6.061 2.197 -0.845 1.00 . A A . 5 GLU H 1 1 8 2085 1 1 5 GLU HA H -3.288 2.661 -1.236 1.00 . A A . 5 GLU HA 1 1 8 2086 1 1 5 GLU HB2 H -5.655 4.051 -0.168 1.00 . A A . 5 GLU HB2 1 1 8 2087 1 1 5 GLU HB3 H -4.137 4.614 0.535 1.00 . A A . 5 GLU HB3 1 1 8 2088 1 1 5 GLU HG2 H -3.236 5.155 -1.616 1.00 . A A . 5 GLU HG2 1 1 8 2089 1 1 5 GLU HG3 H -4.541 4.309 -2.448 1.00 . A A . 5 GLU HG3 1 1 8 2090 1 1 5 GLU N N -5.166 1.817 -0.733 1.00 . A A . 5 GLU N 1 1 8 2091 1 1 5 GLU O O -2.144 2.236 0.990 1.00 . A A . 5 GLU O 1 1 8 2092 1 1 5 GLU OE1 O -5.316 6.753 -0.532 1.00 . A A . 5 GLU OE1 1 1 8 2093 1 1 5 GLU OE2 O -5.541 6.591 -2.668 1.00 . A A . 5 GLU OE2 1 1 8 2094 1 1 6 LYS C C -2.731 0.131 2.815 1.00 . A A . 6 LYS C 1 1 8 2095 1 1 6 LYS CA C -3.563 1.385 3.102 1.00 . A A . 6 LYS CA 1 1 8 2096 1 1 6 LYS CB C -4.763 1.050 3.991 1.00 . A A . 6 LYS CB 1 1 8 2097 1 1 6 LYS CD C -5.409 0.769 6.389 1.00 . A A . 6 LYS CD 1 1 8 2098 1 1 6 LYS CE C -6.653 1.620 6.655 1.00 . A A . 6 LYS CE 1 1 8 2099 1 1 6 LYS CG C -4.482 1.509 5.423 1.00 . A A . 6 LYS CG 1 1 8 2100 1 1 6 LYS H H -5.114 1.873 1.697 1.00 . A A . 6 LYS H 1 1 8 2101 1 1 6 LYS HA H -2.960 2.150 3.559 1.00 . A A . 6 LYS HA 1 1 8 2102 1 1 6 LYS HB2 H -5.640 1.555 3.614 1.00 . A A . 6 LYS HB2 1 1 8 2103 1 1 6 LYS HB3 H -4.929 -0.017 3.982 1.00 . A A . 6 LYS HB3 1 1 8 2104 1 1 6 LYS HD2 H -5.704 -0.175 5.954 1.00 . A A . 6 LYS HD2 1 1 8 2105 1 1 6 LYS HD3 H -4.892 0.590 7.320 1.00 . A A . 6 LYS HD3 1 1 8 2106 1 1 6 LYS HE2 H -6.832 2.292 5.827 1.00 . A A . 6 LYS HE2 1 1 8 2107 1 1 6 LYS HE3 H -7.513 0.990 6.821 1.00 . A A . 6 LYS HE3 1 1 8 2108 1 1 6 LYS HG2 H -3.453 1.293 5.674 1.00 . A A . 6 LYS HG2 1 1 8 2109 1 1 6 LYS HG3 H -4.656 2.571 5.502 1.00 . A A . 6 LYS HG3 1 1 8 2110 1 1 6 LYS HZ1 H -5.490 2.970 7.732 1.00 . A A . 6 LYS HZ1 1 1 8 2111 1 1 6 LYS HZ2 H -6.158 1.728 8.674 1.00 . A A . 6 LYS HZ2 1 1 8 2112 1 1 6 LYS HZ3 H -7.141 3.003 8.133 1.00 . A A . 6 LYS HZ3 1 1 8 2113 1 1 6 LYS N N -4.144 1.872 1.827 1.00 . A A . 6 LYS N 1 1 8 2114 1 1 6 LYS NZ N -6.336 2.388 7.892 1.00 . A A . 6 LYS NZ 1 1 8 2115 1 1 6 LYS O O -1.950 -0.312 3.635 1.00 . A A . 6 LYS O 1 1 8 2116 1 1 7 LEU C C -1.061 -1.284 0.243 1.00 . A A . 7 LEU C 1 1 8 2117 1 1 7 LEU CA C -2.128 -1.651 1.285 1.00 . A A . 7 LEU CA 1 1 8 2118 1 1 7 LEU CB C -3.190 -2.624 0.730 1.00 . A A . 7 LEU CB 1 1 8 2119 1 1 7 LEU CD1 C -1.906 -3.767 -1.097 1.00 . A A . 7 LEU CD1 1 1 8 2120 1 1 7 LEU CD2 C -4.358 -3.359 -1.355 1.00 . A A . 7 LEU CD2 1 1 8 2121 1 1 7 LEU CG C -3.051 -2.799 -0.788 1.00 . A A . 7 LEU CG 1 1 8 2122 1 1 7 LEU H H -3.524 -0.073 0.996 1.00 . A A . 7 LEU H 1 1 8 2123 1 1 7 LEU HA H -1.670 -2.067 2.161 1.00 . A A . 7 LEU HA 1 1 8 2124 1 1 7 LEU HB2 H -3.080 -3.583 1.207 1.00 . A A . 7 LEU HB2 1 1 8 2125 1 1 7 LEU HB3 H -4.175 -2.232 0.947 1.00 . A A . 7 LEU HB3 1 1 8 2126 1 1 7 LEU HD11 H -2.214 -4.453 -1.872 1.00 . A A . 7 LEU HD11 1 1 8 2127 1 1 7 LEU HD12 H -1.652 -4.322 -0.206 1.00 . A A . 7 LEU HD12 1 1 8 2128 1 1 7 LEU HD13 H -1.045 -3.210 -1.432 1.00 . A A . 7 LEU HD13 1 1 8 2129 1 1 7 LEU HD21 H -4.575 -2.879 -2.298 1.00 . A A . 7 LEU HD21 1 1 8 2130 1 1 7 LEU HD22 H -5.163 -3.169 -0.661 1.00 . A A . 7 LEU HD22 1 1 8 2131 1 1 7 LEU HD23 H -4.259 -4.423 -1.508 1.00 . A A . 7 LEU HD23 1 1 8 2132 1 1 7 LEU HG H -2.844 -1.842 -1.239 1.00 . A A . 7 LEU HG 1 1 8 2133 1 1 7 LEU N N -2.895 -0.442 1.644 1.00 . A A . 7 LEU N 1 1 8 2134 1 1 7 LEU O O 0.011 -1.848 0.217 1.00 . A A . 7 LEU O 1 1 8 2135 1 1 8 MET C C 0.831 0.751 -1.024 1.00 . A A . 8 MET C 1 1 8 2136 1 1 8 MET CA C -0.380 0.073 -1.662 1.00 . A A . 8 MET CA 1 1 8 2137 1 1 8 MET CB C -1.140 1.057 -2.552 1.00 . A A . 8 MET CB 1 1 8 2138 1 1 8 MET CE C -1.769 1.416 -6.032 1.00 . A A . 8 MET CE 1 1 8 2139 1 1 8 MET CG C -0.277 1.422 -3.762 1.00 . A A . 8 MET CG 1 1 8 2140 1 1 8 MET H H -2.232 0.097 -0.569 1.00 . A A . 8 MET H 1 1 8 2141 1 1 8 MET HA H -0.070 -0.780 -2.239 1.00 . A A . 8 MET HA 1 1 8 2142 1 1 8 MET HB2 H -2.060 0.602 -2.888 1.00 . A A . 8 MET HB2 1 1 8 2143 1 1 8 MET HB3 H -1.363 1.951 -1.990 1.00 . A A . 8 MET HB3 1 1 8 2144 1 1 8 MET HE1 H -2.745 0.959 -6.112 1.00 . A A . 8 MET HE1 1 1 8 2145 1 1 8 MET HE2 H -1.370 1.602 -7.020 1.00 . A A . 8 MET HE2 1 1 8 2146 1 1 8 MET HE3 H -1.855 2.349 -5.500 1.00 . A A . 8 MET HE3 1 1 8 2147 1 1 8 MET HG2 H -0.484 2.440 -4.057 1.00 . A A . 8 MET HG2 1 1 8 2148 1 1 8 MET HG3 H 0.767 1.329 -3.500 1.00 . A A . 8 MET HG3 1 1 8 2149 1 1 8 MET N N -1.359 -0.339 -0.614 1.00 . A A . 8 MET N 1 1 8 2150 1 1 8 MET O O 1.955 0.538 -1.434 1.00 . A A . 8 MET O 1 1 8 2151 1 1 8 MET SD S -0.657 0.305 -5.135 1.00 . A A . 8 MET SD 1 1 8 2152 1 1 9 LYS C C 2.851 1.235 0.998 1.00 . A A . 9 LYS C 1 1 8 2153 1 1 9 LYS CA C 1.761 2.255 0.643 1.00 . A A . 9 LYS CA 1 1 8 2154 1 1 9 LYS CB C 1.172 2.877 1.913 1.00 . A A . 9 LYS CB 1 1 8 2155 1 1 9 LYS CD C 0.528 4.986 0.734 1.00 . A A . 9 LYS CD 1 1 8 2156 1 1 9 LYS CE C 1.260 6.193 0.141 1.00 . A A . 9 LYS CE 1 1 8 2157 1 1 9 LYS CG C 1.359 4.396 1.876 1.00 . A A . 9 LYS CG 1 1 8 2158 1 1 9 LYS H H -0.306 1.723 0.285 1.00 . A A . 9 LYS H 1 1 8 2159 1 1 9 LYS HA H 2.161 3.027 0.003 1.00 . A A . 9 LYS HA 1 1 8 2160 1 1 9 LYS HB2 H 0.118 2.646 1.972 1.00 . A A . 9 LYS HB2 1 1 8 2161 1 1 9 LYS HB3 H 1.676 2.477 2.778 1.00 . A A . 9 LYS HB3 1 1 8 2162 1 1 9 LYS HD2 H 0.387 4.238 -0.032 1.00 . A A . 9 LYS HD2 1 1 8 2163 1 1 9 LYS HD3 H -0.432 5.301 1.112 1.00 . A A . 9 LYS HD3 1 1 8 2164 1 1 9 LYS HE2 H 1.293 7.001 0.860 1.00 . A A . 9 LYS HE2 1 1 8 2165 1 1 9 LYS HE3 H 2.257 5.917 -0.163 1.00 . A A . 9 LYS HE3 1 1 8 2166 1 1 9 LYS HG2 H 1.036 4.821 2.814 1.00 . A A . 9 LYS HG2 1 1 8 2167 1 1 9 LYS HG3 H 2.402 4.625 1.716 1.00 . A A . 9 LYS HG3 1 1 8 2168 1 1 9 LYS HZ1 H -0.519 6.799 -0.753 1.00 . A A . 9 LYS HZ1 1 1 8 2169 1 1 9 LYS HZ2 H 0.441 5.800 -1.731 1.00 . A A . 9 LYS HZ2 1 1 8 2170 1 1 9 LYS HZ3 H 0.877 7.425 -1.492 1.00 . A A . 9 LYS HZ3 1 1 8 2171 1 1 9 LYS N N 0.613 1.565 -0.025 1.00 . A A . 9 LYS N 1 1 8 2172 1 1 9 LYS NZ N 0.453 6.583 -1.049 1.00 . A A . 9 LYS NZ 1 1 8 2173 1 1 9 LYS O O 4.020 1.558 1.074 1.00 . A A . 9 LYS O 1 1 8 2174 1 1 10 ALA C C 4.165 -1.563 0.297 1.00 . A A . 10 ALA C 1 1 8 2175 1 1 10 ALA CA C 3.461 -1.052 1.555 1.00 . A A . 10 ALA CA 1 1 8 2176 1 1 10 ALA CB C 2.634 -2.177 2.168 1.00 . A A . 10 ALA CB 1 1 8 2177 1 1 10 ALA H H 1.524 -0.229 1.140 1.00 . A A . 10 ALA H 1 1 8 2178 1 1 10 ALA HA H 4.172 -0.682 2.269 1.00 . A A . 10 ALA HA 1 1 8 2179 1 1 10 ALA HB1 H 1.772 -1.761 2.665 1.00 . A A . 10 ALA HB1 1 1 8 2180 1 1 10 ALA HB2 H 3.236 -2.720 2.878 1.00 . A A . 10 ALA HB2 1 1 8 2181 1 1 10 ALA HB3 H 2.309 -2.848 1.383 1.00 . A A . 10 ALA HB3 1 1 8 2182 1 1 10 ALA N N 2.469 0.003 1.209 1.00 . A A . 10 ALA N 1 1 8 2183 1 1 10 ALA O O 5.206 -2.186 0.365 1.00 . A A . 10 ALA O 1 1 8 2184 1 1 11 PHE C C 5.098 -0.702 -2.698 1.00 . A A . 11 PHE C 1 1 8 2185 1 1 11 PHE CA C 4.218 -1.803 -2.105 1.00 . A A . 11 PHE CA 1 1 8 2186 1 1 11 PHE CB C 3.035 -2.113 -3.027 1.00 . A A . 11 PHE CB 1 1 8 2187 1 1 11 PHE CD1 C 1.742 -3.274 -1.180 1.00 . A A . 11 PHE CD1 1 1 8 2188 1 1 11 PHE CD2 C 1.996 -4.398 -3.311 1.00 . A A . 11 PHE CD2 1 1 8 2189 1 1 11 PHE CE1 C 1.005 -4.356 -0.692 1.00 . A A . 11 PHE CE1 1 1 8 2190 1 1 11 PHE CE2 C 1.256 -5.482 -2.821 1.00 . A A . 11 PHE CE2 1 1 8 2191 1 1 11 PHE CG C 2.242 -3.291 -2.491 1.00 . A A . 11 PHE CG 1 1 8 2192 1 1 11 PHE CZ C 0.760 -5.461 -1.512 1.00 . A A . 11 PHE CZ 1 1 8 2193 1 1 11 PHE H H 2.751 -0.826 -0.882 1.00 . A A . 11 PHE H 1 1 8 2194 1 1 11 PHE HA H 4.794 -2.692 -1.924 1.00 . A A . 11 PHE HA 1 1 8 2195 1 1 11 PHE HB2 H 2.392 -1.247 -3.085 1.00 . A A . 11 PHE HB2 1 1 8 2196 1 1 11 PHE HB3 H 3.404 -2.351 -4.013 1.00 . A A . 11 PHE HB3 1 1 8 2197 1 1 11 PHE HD1 H 1.924 -2.427 -0.544 1.00 . A A . 11 PHE HD1 1 1 8 2198 1 1 11 PHE HD2 H 2.378 -4.417 -4.321 1.00 . A A . 11 PHE HD2 1 1 8 2199 1 1 11 PHE HE1 H 0.622 -4.334 0.320 1.00 . A A . 11 PHE HE1 1 1 8 2200 1 1 11 PHE HE2 H 1.064 -6.332 -3.453 1.00 . A A . 11 PHE HE2 1 1 8 2201 1 1 11 PHE HZ H 0.189 -6.298 -1.137 1.00 . A A . 11 PHE HZ 1 1 8 2202 1 1 11 PHE N N 3.597 -1.321 -0.847 1.00 . A A . 11 PHE N 1 1 8 2203 1 1 11 PHE O O 5.688 -0.861 -3.748 1.00 . A A . 11 PHE O 1 1 8 2204 1 1 12 GLU C C 6.813 2.183 -1.402 1.00 . A A . 12 GLU C 1 1 8 2205 1 1 12 GLU CA C 6.021 1.537 -2.543 1.00 . A A . 12 GLU CA 1 1 8 2206 1 1 12 GLU CB C 5.016 2.534 -3.120 1.00 . A A . 12 GLU CB 1 1 8 2207 1 1 12 GLU CD C 3.885 2.873 -5.324 1.00 . A A . 12 GLU CD 1 1 8 2208 1 1 12 GLU CG C 5.233 2.672 -4.629 1.00 . A A . 12 GLU CG 1 1 8 2209 1 1 12 GLU H H 4.692 0.518 -1.183 1.00 . A A . 12 GLU H 1 1 8 2210 1 1 12 GLU HA H 6.686 1.189 -3.317 1.00 . A A . 12 GLU HA 1 1 8 2211 1 1 12 GLU HB2 H 4.012 2.180 -2.930 1.00 . A A . 12 GLU HB2 1 1 8 2212 1 1 12 GLU HB3 H 5.153 3.496 -2.649 1.00 . A A . 12 GLU HB3 1 1 8 2213 1 1 12 GLU HG2 H 5.870 3.523 -4.825 1.00 . A A . 12 GLU HG2 1 1 8 2214 1 1 12 GLU HG3 H 5.702 1.776 -5.009 1.00 . A A . 12 GLU HG3 1 1 8 2215 1 1 12 GLU N N 5.185 0.415 -2.027 1.00 . A A . 12 GLU N 1 1 8 2216 1 1 12 GLU O O 7.958 2.559 -1.564 1.00 . A A . 12 GLU O 1 1 8 2217 1 1 12 GLU OE1 O 3.278 3.910 -5.110 1.00 . A A . 12 GLU OE1 1 1 8 2218 1 1 12 GLU OE2 O 3.482 1.987 -6.060 1.00 . A A . 12 GLU OE2 1 1 8 2219 1 1 13 SER C C 7.620 1.920 1.757 1.00 . A A . 13 SER C 1 1 8 2220 1 1 13 SER CA C 6.909 2.965 0.892 1.00 . A A . 13 SER CA 1 1 8 2221 1 1 13 SER CB C 5.813 3.667 1.691 1.00 . A A . 13 SER CB 1 1 8 2222 1 1 13 SER H H 5.283 2.029 -0.154 1.00 . A A . 13 SER H 1 1 8 2223 1 1 13 SER HA H 7.611 3.687 0.530 1.00 . A A . 13 SER HA 1 1 8 2224 1 1 13 SER HB2 H 5.282 2.946 2.288 1.00 . A A . 13 SER HB2 1 1 8 2225 1 1 13 SER HB3 H 6.261 4.408 2.341 1.00 . A A . 13 SER HB3 1 1 8 2226 1 1 13 SER HG H 4.268 3.634 0.509 1.00 . A A . 13 SER HG 1 1 8 2227 1 1 13 SER N N 6.205 2.327 -0.255 1.00 . A A . 13 SER N 1 1 8 2228 1 1 13 SER O O 8.529 2.236 2.501 1.00 . A A . 13 SER O 1 1 8 2229 1 1 13 SER OG O 4.904 4.292 0.795 1.00 . A A . 13 SER OG 1 1 8 2230 1 1 14 LEU C C 9.332 -0.558 2.101 1.00 . A A . 14 LEU C 1 1 8 2231 1 1 14 LEU CA C 7.862 -0.374 2.501 1.00 . A A . 14 LEU CA 1 1 8 2232 1 1 14 LEU CB C 7.070 -1.648 2.211 1.00 . A A . 14 LEU CB 1 1 8 2233 1 1 14 LEU CD1 C 7.053 -2.360 4.607 1.00 . A A . 14 LEU CD1 1 1 8 2234 1 1 14 LEU CD2 C 6.817 -4.063 2.795 1.00 . A A . 14 LEU CD2 1 1 8 2235 1 1 14 LEU CG C 7.487 -2.745 3.192 1.00 . A A . 14 LEU CG 1 1 8 2236 1 1 14 LEU H H 6.474 0.456 1.076 1.00 . A A . 14 LEU H 1 1 8 2237 1 1 14 LEU HA H 7.785 -0.129 3.545 1.00 . A A . 14 LEU HA 1 1 8 2238 1 1 14 LEU HB2 H 6.014 -1.449 2.322 1.00 . A A . 14 LEU HB2 1 1 8 2239 1 1 14 LEU HB3 H 7.270 -1.976 1.202 1.00 . A A . 14 LEU HB3 1 1 8 2240 1 1 14 LEU HD11 H 6.816 -3.253 5.167 1.00 . A A . 14 LEU HD11 1 1 8 2241 1 1 14 LEU HD12 H 6.180 -1.725 4.555 1.00 . A A . 14 LEU HD12 1 1 8 2242 1 1 14 LEU HD13 H 7.855 -1.828 5.098 1.00 . A A . 14 LEU HD13 1 1 8 2243 1 1 14 LEU HD21 H 7.457 -4.600 2.109 1.00 . A A . 14 LEU HD21 1 1 8 2244 1 1 14 LEU HD22 H 5.871 -3.857 2.318 1.00 . A A . 14 LEU HD22 1 1 8 2245 1 1 14 LEU HD23 H 6.652 -4.663 3.677 1.00 . A A . 14 LEU HD23 1 1 8 2246 1 1 14 LEU HG H 8.561 -2.862 3.165 1.00 . A A . 14 LEU HG 1 1 8 2247 1 1 14 LEU N N 7.211 0.686 1.674 1.00 . A A . 14 LEU N 1 1 8 2248 1 1 14 LEU O O 10.089 -1.212 2.792 1.00 . A A . 14 LEU O 1 1 8 2249 1 1 15 LYS C C 12.074 0.690 1.479 1.00 . A A . 15 LYS C 1 1 8 2250 1 1 15 LYS CA C 11.167 -0.140 0.572 1.00 . A A . 15 LYS CA 1 1 8 2251 1 1 15 LYS CB C 11.213 0.390 -0.865 1.00 . A A . 15 LYS CB 1 1 8 2252 1 1 15 LYS CD C 10.791 -1.098 -2.834 1.00 . A A . 15 LYS CD 1 1 8 2253 1 1 15 LYS CE C 11.507 -1.524 -4.117 1.00 . A A . 15 LYS CE 1 1 8 2254 1 1 15 LYS CG C 11.823 -0.669 -1.790 1.00 . A A . 15 LYS CG 1 1 8 2255 1 1 15 LYS H H 9.126 0.536 0.454 1.00 . A A . 15 LYS H 1 1 8 2256 1 1 15 LYS HA H 11.460 -1.176 0.590 1.00 . A A . 15 LYS HA 1 1 8 2257 1 1 15 LYS HB2 H 10.209 0.622 -1.194 1.00 . A A . 15 LYS HB2 1 1 8 2258 1 1 15 LYS HB3 H 11.816 1.284 -0.899 1.00 . A A . 15 LYS HB3 1 1 8 2259 1 1 15 LYS HD2 H 10.214 -1.927 -2.450 1.00 . A A . 15 LYS HD2 1 1 8 2260 1 1 15 LYS HD3 H 10.131 -0.271 -3.049 1.00 . A A . 15 LYS HD3 1 1 8 2261 1 1 15 LYS HE2 H 11.614 -0.678 -4.785 1.00 . A A . 15 LYS HE2 1 1 8 2262 1 1 15 LYS HE3 H 12.472 -1.947 -3.888 1.00 . A A . 15 LYS HE3 1 1 8 2263 1 1 15 LYS HG2 H 12.688 -0.255 -2.287 1.00 . A A . 15 LYS HG2 1 1 8 2264 1 1 15 LYS HG3 H 12.122 -1.529 -1.208 1.00 . A A . 15 LYS HG3 1 1 8 2265 1 1 15 LYS HZ1 H 10.403 -3.285 -4.015 1.00 . A A . 15 LYS HZ1 1 1 8 2266 1 1 15 LYS HZ2 H 11.112 -3.001 -5.530 1.00 . A A . 15 LYS HZ2 1 1 8 2267 1 1 15 LYS HZ3 H 9.744 -2.113 -5.053 1.00 . A A . 15 LYS HZ3 1 1 8 2268 1 1 15 LYS N N 9.745 0.011 0.999 1.00 . A A . 15 LYS N 1 1 8 2269 1 1 15 LYS NZ N 10.625 -2.559 -4.725 1.00 . A A . 15 LYS NZ 1 1 8 2270 1 1 15 LYS O O 12.872 0.161 2.229 1.00 . A A . 15 LYS O 1 1 8 2271 1 1 16 SER C C 12.689 4.342 1.771 1.00 . A A . 16 SER C 1 1 8 2272 1 1 16 SER CA C 12.790 2.895 2.268 1.00 . A A . 16 SER CA 1 1 8 2273 1 1 16 SER CB C 14.231 2.395 2.116 1.00 . A A . 16 SER CB 1 1 8 2274 1 1 16 SER H H 11.286 2.377 0.804 1.00 . A A . 16 SER H 1 1 8 2275 1 1 16 SER HA H 12.484 2.831 3.297 1.00 . A A . 16 SER HA 1 1 8 2276 1 1 16 SER HB2 H 14.308 1.767 1.244 1.00 . A A . 16 SER HB2 1 1 8 2277 1 1 16 SER HB3 H 14.896 3.241 2.006 1.00 . A A . 16 SER HB3 1 1 8 2278 1 1 16 SER HG H 13.918 0.969 3.402 1.00 . A A . 16 SER HG 1 1 8 2279 1 1 16 SER N N 11.948 1.991 1.416 1.00 . A A . 16 SER N 1 1 8 2280 1 1 16 SER O O 13.042 5.274 2.466 1.00 . A A . 16 SER O 1 1 8 2281 1 1 16 SER OG O 14.589 1.641 3.268 1.00 . A A . 16 SER OG 1 1 8 2282 1 1 17 PHE C C 11.326 6.816 0.978 1.00 . A A . 17 PHE C 1 1 8 2283 1 1 17 PHE CA C 12.097 5.915 0.008 1.00 . A A . 17 PHE CA 1 1 8 2284 1 1 17 PHE CB C 11.321 5.772 -1.313 1.00 . A A . 17 PHE CB 1 1 8 2285 1 1 17 PHE CD1 C 12.991 4.088 -2.186 1.00 . A A . 17 PHE CD1 1 1 8 2286 1 1 17 PHE CD2 C 10.623 3.616 -2.421 1.00 . A A . 17 PHE CD2 1 1 8 2287 1 1 17 PHE CE1 C 13.294 2.869 -2.806 1.00 . A A . 17 PHE CE1 1 1 8 2288 1 1 17 PHE CE2 C 10.927 2.398 -3.042 1.00 . A A . 17 PHE CE2 1 1 8 2289 1 1 17 PHE CG C 11.655 4.461 -1.994 1.00 . A A . 17 PHE CG 1 1 8 2290 1 1 17 PHE CZ C 12.262 2.025 -3.233 1.00 . A A . 17 PHE CZ 1 1 8 2291 1 1 17 PHE H H 11.947 3.768 0.029 1.00 . A A . 17 PHE H 1 1 8 2292 1 1 17 PHE HA H 13.075 6.325 -0.186 1.00 . A A . 17 PHE HA 1 1 8 2293 1 1 17 PHE HB2 H 10.260 5.806 -1.109 1.00 . A A . 17 PHE HB2 1 1 8 2294 1 1 17 PHE HB3 H 11.583 6.588 -1.966 1.00 . A A . 17 PHE HB3 1 1 8 2295 1 1 17 PHE HD1 H 13.786 4.740 -1.857 1.00 . A A . 17 PHE HD1 1 1 8 2296 1 1 17 PHE HD2 H 9.593 3.904 -2.272 1.00 . A A . 17 PHE HD2 1 1 8 2297 1 1 17 PHE HE1 H 14.324 2.579 -2.951 1.00 . A A . 17 PHE HE1 1 1 8 2298 1 1 17 PHE HE2 H 10.131 1.745 -3.368 1.00 . A A . 17 PHE HE2 1 1 8 2299 1 1 17 PHE HZ H 12.496 1.086 -3.712 1.00 . A A . 17 PHE HZ 1 1 8 2300 1 1 17 PHE N N 12.217 4.533 0.568 1.00 . A A . 17 PHE N 1 1 8 2301 1 1 17 PHE O O 10.245 6.478 1.418 1.00 . A A . 17 PHE O 1 1 8 2302 1 1 18 NH2 HN1 H 11.358 8.546 1.952 1.00 . A A . 18 NH2 HN1 1 1 8 2303 1 1 18 NH2 HN2 H 12.714 8.236 0.979 1.00 . A A . 18 NH2 HN2 1 1 8 2304 1 1 18 NH2 N N 11.842 7.961 1.332 1.00 . A A . 18 NH2 N 1 1 9 2305 1 1 1 MET C C -11.432 -4.511 2.558 1.00 . A A . 1 MET C 1 1 9 2306 1 1 1 MET CA C -11.415 -6.021 2.313 1.00 . A A . 1 MET CA 1 1 9 2307 1 1 1 MET CB C -11.784 -6.776 3.592 1.00 . A A . 1 MET CB 1 1 9 2308 1 1 1 MET CE C -14.480 -6.523 2.172 1.00 . A A . 1 MET CE 1 1 9 2309 1 1 1 MET CG C -12.515 -8.073 3.230 1.00 . A A . 1 MET CG 1 1 9 2310 1 1 1 MET H1 H -9.628 -5.852 1.254 1.00 . A A . 1 MET H1 1 1 9 2311 1 1 1 MET H2 H -10.066 -7.452 1.624 1.00 . A A . 1 MET H2 1 1 9 2312 1 1 1 MET H3 H -9.440 -6.437 2.835 1.00 . A A . 1 MET H3 1 1 9 2313 1 1 1 MET HA H -12.098 -6.284 1.521 1.00 . A A . 1 MET HA 1 1 9 2314 1 1 1 MET HB2 H -10.884 -7.011 4.141 1.00 . A A . 1 MET HB2 1 1 9 2315 1 1 1 MET HB3 H -12.427 -6.159 4.201 1.00 . A A . 1 MET HB3 1 1 9 2316 1 1 1 MET HE1 H -14.092 -6.868 1.224 1.00 . A A . 1 MET HE1 1 1 9 2317 1 1 1 MET HE2 H -13.930 -5.650 2.495 1.00 . A A . 1 MET HE2 1 1 9 2318 1 1 1 MET HE3 H -15.522 -6.271 2.062 1.00 . A A . 1 MET HE3 1 1 9 2319 1 1 1 MET HG2 H -12.287 -8.342 2.210 1.00 . A A . 1 MET HG2 1 1 9 2320 1 1 1 MET HG3 H -12.190 -8.864 3.891 1.00 . A A . 1 MET HG3 1 1 9 2321 1 1 1 MET N N -10.034 -6.475 1.981 1.00 . A A . 1 MET N 1 1 9 2322 1 1 1 MET O O -12.371 -3.825 2.198 1.00 . A A . 1 MET O 1 1 9 2323 1 1 1 MET SD S -14.301 -7.836 3.407 1.00 . A A . 1 MET SD 1 1 9 2324 1 1 2 ALA C C -8.908 -2.025 3.395 1.00 . A A . 2 ALA C 1 1 9 2325 1 1 2 ALA CA C -10.356 -2.522 3.437 1.00 . A A . 2 ALA CA 1 1 9 2326 1 1 2 ALA CB C -10.938 -2.359 4.841 1.00 . A A . 2 ALA CB 1 1 9 2327 1 1 2 ALA H H -9.659 -4.561 3.448 1.00 . A A . 2 ALA H 1 1 9 2328 1 1 2 ALA HA H -10.961 -1.986 2.723 1.00 . A A . 2 ALA HA 1 1 9 2329 1 1 2 ALA HB1 H -11.753 -3.055 4.976 1.00 . A A . 2 ALA HB1 1 1 9 2330 1 1 2 ALA HB2 H -11.302 -1.350 4.966 1.00 . A A . 2 ALA HB2 1 1 9 2331 1 1 2 ALA HB3 H -10.169 -2.558 5.574 1.00 . A A . 2 ALA HB3 1 1 9 2332 1 1 2 ALA N N -10.403 -3.988 3.167 1.00 . A A . 2 ALA N 1 1 9 2333 1 1 2 ALA O O -8.031 -2.696 2.890 1.00 . A A . 2 ALA O 1 1 9 2334 1 1 3 THR C C -6.590 -0.500 2.569 1.00 . A A . 3 THR C 1 1 9 2335 1 1 3 THR CA C -7.271 -0.287 3.925 1.00 . A A . 3 THR CA 1 1 9 2336 1 1 3 THR CB C -6.528 -1.047 5.027 1.00 . A A . 3 THR CB 1 1 9 2337 1 1 3 THR CG2 C -7.246 -0.847 6.364 1.00 . A A . 3 THR CG2 1 1 9 2338 1 1 3 THR H H -9.391 -0.334 4.320 1.00 . A A . 3 THR H 1 1 9 2339 1 1 3 THR HA H -7.297 0.764 4.163 1.00 . A A . 3 THR HA 1 1 9 2340 1 1 3 THR HB H -5.520 -0.670 5.107 1.00 . A A . 3 THR HB 1 1 9 2341 1 1 3 THR HG1 H -5.926 -2.544 3.942 1.00 . A A . 3 THR HG1 1 1 9 2342 1 1 3 THR HG21 H -6.530 -0.906 7.170 1.00 . A A . 3 THR HG21 1 1 9 2343 1 1 3 THR HG22 H -7.993 -1.617 6.489 1.00 . A A . 3 THR HG22 1 1 9 2344 1 1 3 THR HG23 H -7.722 0.123 6.374 1.00 . A A . 3 THR HG23 1 1 9 2345 1 1 3 THR N N -8.660 -0.850 3.922 1.00 . A A . 3 THR N 1 1 9 2346 1 1 3 THR O O -5.491 -1.015 2.490 1.00 . A A . 3 THR O 1 1 9 2347 1 1 3 THR OG1 O -6.490 -2.431 4.712 1.00 . A A . 3 THR OG1 1 1 9 2348 1 1 4 LEU C C -5.350 0.562 0.052 1.00 . A A . 4 LEU C 1 1 9 2349 1 1 4 LEU CA C -6.617 -0.283 0.156 1.00 . A A . 4 LEU CA 1 1 9 2350 1 1 4 LEU CB C -7.674 0.197 -0.840 1.00 . A A . 4 LEU CB 1 1 9 2351 1 1 4 LEU CD1 C -9.912 -0.311 -1.831 1.00 . A A . 4 LEU CD1 1 1 9 2352 1 1 4 LEU CD2 C -8.198 -2.116 -1.619 1.00 . A A . 4 LEU CD2 1 1 9 2353 1 1 4 LEU CG C -8.774 -0.858 -0.966 1.00 . A A . 4 LEU CG 1 1 9 2354 1 1 4 LEU H H -8.112 0.310 1.584 1.00 . A A . 4 LEU H 1 1 9 2355 1 1 4 LEU HA H -6.388 -1.321 -0.013 1.00 . A A . 4 LEU HA 1 1 9 2356 1 1 4 LEU HB2 H -8.102 1.126 -0.490 1.00 . A A . 4 LEU HB2 1 1 9 2357 1 1 4 LEU HB3 H -7.216 0.352 -1.804 1.00 . A A . 4 LEU HB3 1 1 9 2358 1 1 4 LEU HD11 H -9.918 0.768 -1.777 1.00 . A A . 4 LEU HD11 1 1 9 2359 1 1 4 LEU HD12 H -10.854 -0.694 -1.469 1.00 . A A . 4 LEU HD12 1 1 9 2360 1 1 4 LEU HD13 H -9.767 -0.620 -2.855 1.00 . A A . 4 LEU HD13 1 1 9 2361 1 1 4 LEU HD21 H -7.725 -2.729 -0.866 1.00 . A A . 4 LEU HD21 1 1 9 2362 1 1 4 LEU HD22 H -7.469 -1.834 -2.363 1.00 . A A . 4 LEU HD22 1 1 9 2363 1 1 4 LEU HD23 H -8.994 -2.673 -2.090 1.00 . A A . 4 LEU HD23 1 1 9 2364 1 1 4 LEU HG H -9.154 -1.102 0.017 1.00 . A A . 4 LEU HG 1 1 9 2365 1 1 4 LEU N N -7.232 -0.105 1.501 1.00 . A A . 4 LEU N 1 1 9 2366 1 1 4 LEU O O -4.285 0.058 -0.244 1.00 . A A . 4 LEU O 1 1 9 2367 1 1 5 GLU C C -3.187 2.163 1.206 1.00 . A A . 5 GLU C 1 1 9 2368 1 1 5 GLU CA C -4.231 2.696 0.234 1.00 . A A . 5 GLU CA 1 1 9 2369 1 1 5 GLU CB C -4.690 4.100 0.633 1.00 . A A . 5 GLU CB 1 1 9 2370 1 1 5 GLU CD C -3.263 5.844 1.724 1.00 . A A . 5 GLU CD 1 1 9 2371 1 1 5 GLU CG C -3.545 5.096 0.419 1.00 . A A . 5 GLU CG 1 1 9 2372 1 1 5 GLU H H -6.310 2.227 0.557 1.00 . A A . 5 GLU H 1 1 9 2373 1 1 5 GLU HA H -3.837 2.696 -0.766 1.00 . A A . 5 GLU HA 1 1 9 2374 1 1 5 GLU HB2 H -5.536 4.387 0.024 1.00 . A A . 5 GLU HB2 1 1 9 2375 1 1 5 GLU HB3 H -4.978 4.102 1.673 1.00 . A A . 5 GLU HB3 1 1 9 2376 1 1 5 GLU HG2 H -2.656 4.564 0.109 1.00 . A A . 5 GLU HG2 1 1 9 2377 1 1 5 GLU HG3 H -3.824 5.805 -0.346 1.00 . A A . 5 GLU HG3 1 1 9 2378 1 1 5 GLU N N -5.447 1.839 0.308 1.00 . A A . 5 GLU N 1 1 9 2379 1 1 5 GLU O O -2.002 2.176 0.934 1.00 . A A . 5 GLU O 1 1 9 2380 1 1 5 GLU OE1 O -4.190 6.427 2.261 1.00 . A A . 5 GLU OE1 1 1 9 2381 1 1 5 GLU OE2 O -2.125 5.821 2.162 1.00 . A A . 5 GLU OE2 1 1 9 2382 1 1 6 LYS C C -2.012 -0.156 2.681 1.00 . A A . 6 LYS C 1 1 9 2383 1 1 6 LYS CA C -2.666 1.082 3.301 1.00 . A A . 6 LYS CA 1 1 9 2384 1 1 6 LYS CB C -3.511 0.697 4.518 1.00 . A A . 6 LYS CB 1 1 9 2385 1 1 6 LYS CD C -3.610 0.700 7.015 1.00 . A A . 6 LYS CD 1 1 9 2386 1 1 6 LYS CE C -3.151 1.463 8.261 1.00 . A A . 6 LYS CE 1 1 9 2387 1 1 6 LYS CG C -2.828 1.190 5.795 1.00 . A A . 6 LYS CG 1 1 9 2388 1 1 6 LYS H H -4.583 1.635 2.511 1.00 . A A . 6 LYS H 1 1 9 2389 1 1 6 LYS HA H -1.924 1.812 3.575 1.00 . A A . 6 LYS HA 1 1 9 2390 1 1 6 LYS HB2 H -4.489 1.149 4.435 1.00 . A A . 6 LYS HB2 1 1 9 2391 1 1 6 LYS HB3 H -3.614 -0.377 4.559 1.00 . A A . 6 LYS HB3 1 1 9 2392 1 1 6 LYS HD2 H -4.665 0.868 6.856 1.00 . A A . 6 LYS HD2 1 1 9 2393 1 1 6 LYS HD3 H -3.431 -0.356 7.156 1.00 . A A . 6 LYS HD3 1 1 9 2394 1 1 6 LYS HE2 H -2.899 0.770 9.053 1.00 . A A . 6 LYS HE2 1 1 9 2395 1 1 6 LYS HE3 H -2.306 2.093 8.029 1.00 . A A . 6 LYS HE3 1 1 9 2396 1 1 6 LYS HG2 H -1.818 0.806 5.834 1.00 . A A . 6 LYS HG2 1 1 9 2397 1 1 6 LYS HG3 H -2.802 2.270 5.796 1.00 . A A . 6 LYS HG3 1 1 9 2398 1 1 6 LYS HZ1 H -5.157 1.695 8.764 1.00 . A A . 6 LYS HZ1 1 1 9 2399 1 1 6 LYS HZ2 H -4.501 3.009 7.916 1.00 . A A . 6 LYS HZ2 1 1 9 2400 1 1 6 LYS HZ3 H -4.115 2.779 9.555 1.00 . A A . 6 LYS HZ3 1 1 9 2401 1 1 6 LYS N N -3.624 1.658 2.326 1.00 . A A . 6 LYS N 1 1 9 2402 1 1 6 LYS NZ N -4.319 2.300 8.653 1.00 . A A . 6 LYS NZ 1 1 9 2403 1 1 6 LYS O O -1.024 -0.663 3.175 1.00 . A A . 6 LYS O 1 1 9 2404 1 1 7 LEU C C -1.154 -1.409 -0.283 1.00 . A A . 7 LEU C 1 1 9 2405 1 1 7 LEU CA C -1.983 -1.841 0.935 1.00 . A A . 7 LEU CA 1 1 9 2406 1 1 7 LEU CB C -3.208 -2.694 0.544 1.00 . A A . 7 LEU CB 1 1 9 2407 1 1 7 LEU CD1 C -2.595 -3.563 -1.725 1.00 . A A . 7 LEU CD1 1 1 9 2408 1 1 7 LEU CD2 C -4.969 -2.960 -1.215 1.00 . A A . 7 LEU CD2 1 1 9 2409 1 1 7 LEU CG C -3.502 -2.596 -0.959 1.00 . A A . 7 LEU CG 1 1 9 2410 1 1 7 LEU H H -3.354 -0.224 1.209 1.00 . A A . 7 LEU H 1 1 9 2411 1 1 7 LEU HA H -1.371 -2.378 1.632 1.00 . A A . 7 LEU HA 1 1 9 2412 1 1 7 LEU HB2 H -3.020 -3.725 0.801 1.00 . A A . 7 LEU HB2 1 1 9 2413 1 1 7 LEU HB3 H -4.071 -2.345 1.095 1.00 . A A . 7 LEU HB3 1 1 9 2414 1 1 7 LEU HD11 H -1.870 -3.000 -2.294 1.00 . A A . 7 LEU HD11 1 1 9 2415 1 1 7 LEU HD12 H -3.192 -4.162 -2.398 1.00 . A A . 7 LEU HD12 1 1 9 2416 1 1 7 LEU HD13 H -2.082 -4.208 -1.028 1.00 . A A . 7 LEU HD13 1 1 9 2417 1 1 7 LEU HD21 H -5.021 -3.891 -1.760 1.00 . A A . 7 LEU HD21 1 1 9 2418 1 1 7 LEU HD22 H -5.438 -2.178 -1.793 1.00 . A A . 7 LEU HD22 1 1 9 2419 1 1 7 LEU HD23 H -5.485 -3.069 -0.271 1.00 . A A . 7 LEU HD23 1 1 9 2420 1 1 7 LEU HG H -3.318 -1.588 -1.295 1.00 . A A . 7 LEU HG 1 1 9 2421 1 1 7 LEU N N -2.561 -0.645 1.593 1.00 . A A . 7 LEU N 1 1 9 2422 1 1 7 LEU O O -0.220 -2.078 -0.682 1.00 . A A . 7 LEU O 1 1 9 2423 1 1 8 MET C C 0.557 0.879 -1.608 1.00 . A A . 8 MET C 1 1 9 2424 1 1 8 MET CA C -0.738 0.198 -2.056 1.00 . A A . 8 MET CA 1 1 9 2425 1 1 8 MET CB C -1.672 1.207 -2.734 1.00 . A A . 8 MET CB 1 1 9 2426 1 1 8 MET CE C -3.698 1.113 -6.254 1.00 . A A . 8 MET CE 1 1 9 2427 1 1 8 MET CG C -2.171 0.633 -4.062 1.00 . A A . 8 MET CG 1 1 9 2428 1 1 8 MET H H -2.247 0.228 -0.531 1.00 . A A . 8 MET H 1 1 9 2429 1 1 8 MET HA H -0.527 -0.615 -2.722 1.00 . A A . 8 MET HA 1 1 9 2430 1 1 8 MET HB2 H -2.514 1.409 -2.088 1.00 . A A . 8 MET HB2 1 1 9 2431 1 1 8 MET HB3 H -1.135 2.126 -2.921 1.00 . A A . 8 MET HB3 1 1 9 2432 1 1 8 MET HE1 H -2.780 0.601 -6.505 1.00 . A A . 8 MET HE1 1 1 9 2433 1 1 8 MET HE2 H -3.726 2.076 -6.746 1.00 . A A . 8 MET HE2 1 1 9 2434 1 1 8 MET HE3 H -4.539 0.522 -6.580 1.00 . A A . 8 MET HE3 1 1 9 2435 1 1 8 MET HG2 H -1.466 0.870 -4.844 1.00 . A A . 8 MET HG2 1 1 9 2436 1 1 8 MET HG3 H -2.266 -0.439 -3.976 1.00 . A A . 8 MET HG3 1 1 9 2437 1 1 8 MET N N -1.494 -0.291 -0.871 1.00 . A A . 8 MET N 1 1 9 2438 1 1 8 MET O O 1.643 0.433 -1.921 1.00 . A A . 8 MET O 1 1 9 2439 1 1 8 MET SD S -3.783 1.353 -4.462 1.00 . A A . 8 MET SD 1 1 9 2440 1 1 9 LYS C C 2.597 1.689 0.346 1.00 . A A . 9 LYS C 1 1 9 2441 1 1 9 LYS CA C 1.676 2.663 -0.393 1.00 . A A . 9 LYS CA 1 1 9 2442 1 1 9 LYS CB C 1.167 3.748 0.559 1.00 . A A . 9 LYS CB 1 1 9 2443 1 1 9 LYS CD C -0.031 5.436 -0.841 1.00 . A A . 9 LYS CD 1 1 9 2444 1 1 9 LYS CE C 0.134 6.724 -1.650 1.00 . A A . 9 LYS CE 1 1 9 2445 1 1 9 LYS CG C 1.277 5.117 -0.116 1.00 . A A . 9 LYS CG 1 1 9 2446 1 1 9 LYS H H -0.437 2.293 -0.627 1.00 . A A . 9 LYS H 1 1 9 2447 1 1 9 LYS HA H 2.196 3.114 -1.223 1.00 . A A . 9 LYS HA 1 1 9 2448 1 1 9 LYS HB2 H 0.134 3.552 0.809 1.00 . A A . 9 LYS HB2 1 1 9 2449 1 1 9 LYS HB3 H 1.762 3.744 1.460 1.00 . A A . 9 LYS HB3 1 1 9 2450 1 1 9 LYS HD2 H -0.283 4.622 -1.504 1.00 . A A . 9 LYS HD2 1 1 9 2451 1 1 9 LYS HD3 H -0.821 5.569 -0.116 1.00 . A A . 9 LYS HD3 1 1 9 2452 1 1 9 LYS HE2 H 0.906 7.344 -1.214 1.00 . A A . 9 LYS HE2 1 1 9 2453 1 1 9 LYS HE3 H 0.369 6.495 -2.678 1.00 . A A . 9 LYS HE3 1 1 9 2454 1 1 9 LYS HG2 H 1.469 5.872 0.633 1.00 . A A . 9 LYS HG2 1 1 9 2455 1 1 9 LYS HG3 H 2.088 5.102 -0.830 1.00 . A A . 9 LYS HG3 1 1 9 2456 1 1 9 LYS HZ1 H -1.911 6.810 -2.023 1.00 . A A . 9 LYS HZ1 1 1 9 2457 1 1 9 LYS HZ2 H -1.140 8.319 -2.053 1.00 . A A . 9 LYS HZ2 1 1 9 2458 1 1 9 LYS HZ3 H -1.440 7.551 -0.568 1.00 . A A . 9 LYS HZ3 1 1 9 2459 1 1 9 LYS N N 0.450 1.954 -0.870 1.00 . A A . 9 LYS N 1 1 9 2460 1 1 9 LYS NZ N -1.189 7.402 -1.567 1.00 . A A . 9 LYS NZ 1 1 9 2461 1 1 9 LYS O O 3.789 1.902 0.442 1.00 . A A . 9 LYS O 1 1 9 2462 1 1 10 ALA C C 3.906 -1.008 0.634 1.00 . A A . 10 ALA C 1 1 9 2463 1 1 10 ALA CA C 2.901 -0.366 1.592 1.00 . A A . 10 ALA CA 1 1 9 2464 1 1 10 ALA CB C 1.923 -1.415 2.121 1.00 . A A . 10 ALA CB 1 1 9 2465 1 1 10 ALA H H 1.095 0.467 0.777 1.00 . A A . 10 ALA H 1 1 9 2466 1 1 10 ALA HA H 3.410 0.110 2.413 1.00 . A A . 10 ALA HA 1 1 9 2467 1 1 10 ALA HB1 H 1.044 -1.437 1.492 1.00 . A A . 10 ALA HB1 1 1 9 2468 1 1 10 ALA HB2 H 1.637 -1.163 3.131 1.00 . A A . 10 ALA HB2 1 1 9 2469 1 1 10 ALA HB3 H 2.397 -2.386 2.111 1.00 . A A . 10 ALA HB3 1 1 9 2470 1 1 10 ALA N N 2.056 0.620 0.865 1.00 . A A . 10 ALA N 1 1 9 2471 1 1 10 ALA O O 5.072 -1.149 0.944 1.00 . A A . 10 ALA O 1 1 9 2472 1 1 11 PHE C C 5.387 -1.006 -2.040 1.00 . A A . 11 PHE C 1 1 9 2473 1 1 11 PHE CA C 4.386 -2.035 -1.509 1.00 . A A . 11 PHE CA 1 1 9 2474 1 1 11 PHE CB C 3.482 -2.528 -2.643 1.00 . A A . 11 PHE CB 1 1 9 2475 1 1 11 PHE CD1 C 2.503 -4.054 -0.863 1.00 . A A . 11 PHE CD1 1 1 9 2476 1 1 11 PHE CD2 C 1.213 -3.599 -2.866 1.00 . A A . 11 PHE CD2 1 1 9 2477 1 1 11 PHE CE1 C 1.471 -4.869 -0.384 1.00 . A A . 11 PHE CE1 1 1 9 2478 1 1 11 PHE CE2 C 0.183 -4.416 -2.387 1.00 . A A . 11 PHE CE2 1 1 9 2479 1 1 11 PHE CG C 2.376 -3.417 -2.107 1.00 . A A . 11 PHE CG 1 1 9 2480 1 1 11 PHE CZ C 0.311 -5.050 -1.146 1.00 . A A . 11 PHE CZ 1 1 9 2481 1 1 11 PHE H H 2.518 -1.280 -0.762 1.00 . A A . 11 PHE H 1 1 9 2482 1 1 11 PHE HA H 4.902 -2.867 -1.058 1.00 . A A . 11 PHE HA 1 1 9 2483 1 1 11 PHE HB2 H 3.041 -1.675 -3.137 1.00 . A A . 11 PHE HB2 1 1 9 2484 1 1 11 PHE HB3 H 4.074 -3.084 -3.352 1.00 . A A . 11 PHE HB3 1 1 9 2485 1 1 11 PHE HD1 H 3.398 -3.916 -0.273 1.00 . A A . 11 PHE HD1 1 1 9 2486 1 1 11 PHE HD2 H 1.112 -3.112 -3.824 1.00 . A A . 11 PHE HD2 1 1 9 2487 1 1 11 PHE HE1 H 1.569 -5.359 0.573 1.00 . A A . 11 PHE HE1 1 1 9 2488 1 1 11 PHE HE2 H -0.713 -4.555 -2.974 1.00 . A A . 11 PHE HE2 1 1 9 2489 1 1 11 PHE HZ H -0.485 -5.679 -0.777 1.00 . A A . 11 PHE HZ 1 1 9 2490 1 1 11 PHE N N 3.461 -1.401 -0.530 1.00 . A A . 11 PHE N 1 1 9 2491 1 1 11 PHE O O 6.438 -1.353 -2.545 1.00 . A A . 11 PHE O 1 1 9 2492 1 1 12 GLU C C 6.854 1.863 -1.306 1.00 . A A . 12 GLU C 1 1 9 2493 1 1 12 GLU CA C 5.997 1.306 -2.446 1.00 . A A . 12 GLU CA 1 1 9 2494 1 1 12 GLU CB C 5.086 2.399 -3.013 1.00 . A A . 12 GLU CB 1 1 9 2495 1 1 12 GLU CD C 6.594 3.270 -4.807 1.00 . A A . 12 GLU CD 1 1 9 2496 1 1 12 GLU CG C 5.296 2.511 -4.525 1.00 . A A . 12 GLU CG 1 1 9 2497 1 1 12 GLU H H 4.211 0.513 -1.533 1.00 . A A . 12 GLU H 1 1 9 2498 1 1 12 GLU HA H 6.625 0.907 -3.226 1.00 . A A . 12 GLU HA 1 1 9 2499 1 1 12 GLU HB2 H 4.056 2.148 -2.810 1.00 . A A . 12 GLU HB2 1 1 9 2500 1 1 12 GLU HB3 H 5.325 3.344 -2.549 1.00 . A A . 12 GLU HB3 1 1 9 2501 1 1 12 GLU HG2 H 5.356 1.521 -4.954 1.00 . A A . 12 GLU HG2 1 1 9 2502 1 1 12 GLU HG3 H 4.467 3.044 -4.964 1.00 . A A . 12 GLU HG3 1 1 9 2503 1 1 12 GLU N N 5.067 0.256 -1.938 1.00 . A A . 12 GLU N 1 1 9 2504 1 1 12 GLU O O 8.052 2.016 -1.437 1.00 . A A . 12 GLU O 1 1 9 2505 1 1 12 GLU OE1 O 7.609 2.898 -4.242 1.00 . A A . 12 GLU OE1 1 1 9 2506 1 1 12 GLU OE2 O 6.550 4.209 -5.583 1.00 . A A . 12 GLU OE2 1 1 9 2507 1 1 13 SER C C 7.574 1.622 1.834 1.00 . A A . 13 SER C 1 1 9 2508 1 1 13 SER CA C 7.016 2.739 0.950 1.00 . A A . 13 SER CA 1 1 9 2509 1 1 13 SER CB C 6.011 3.586 1.727 1.00 . A A . 13 SER CB 1 1 9 2510 1 1 13 SER H H 5.281 2.059 -0.118 1.00 . A A . 13 SER H 1 1 9 2511 1 1 13 SER HA H 7.811 3.355 0.588 1.00 . A A . 13 SER HA 1 1 9 2512 1 1 13 SER HB2 H 5.270 2.947 2.177 1.00 . A A . 13 SER HB2 1 1 9 2513 1 1 13 SER HB3 H 6.528 4.135 2.502 1.00 . A A . 13 SER HB3 1 1 9 2514 1 1 13 SER HG H 4.485 4.159 0.664 1.00 . A A . 13 SER HG 1 1 9 2515 1 1 13 SER N N 6.246 2.178 -0.195 1.00 . A A . 13 SER N 1 1 9 2516 1 1 13 SER O O 8.633 1.749 2.415 1.00 . A A . 13 SER O 1 1 9 2517 1 1 13 SER OG O 5.370 4.490 0.836 1.00 . A A . 13 SER OG 1 1 9 2518 1 1 14 LEU C C 8.047 -1.643 1.932 1.00 . A A . 14 LEU C 1 1 9 2519 1 1 14 LEU CA C 7.349 -0.586 2.793 1.00 . A A . 14 LEU CA 1 1 9 2520 1 1 14 LEU CB C 6.090 -1.162 3.452 1.00 . A A . 14 LEU CB 1 1 9 2521 1 1 14 LEU CD1 C 7.435 -1.786 5.475 1.00 . A A . 14 LEU CD1 1 1 9 2522 1 1 14 LEU CD2 C 6.295 0.438 5.371 1.00 . A A . 14 LEU CD2 1 1 9 2523 1 1 14 LEU CG C 6.194 -1.040 4.978 1.00 . A A . 14 LEU CG 1 1 9 2524 1 1 14 LEU H H 6.022 0.461 1.473 1.00 . A A . 14 LEU H 1 1 9 2525 1 1 14 LEU HA H 8.018 -0.213 3.544 1.00 . A A . 14 LEU HA 1 1 9 2526 1 1 14 LEU HB2 H 5.224 -0.616 3.108 1.00 . A A . 14 LEU HB2 1 1 9 2527 1 1 14 LEU HB3 H 5.988 -2.203 3.185 1.00 . A A . 14 LEU HB3 1 1 9 2528 1 1 14 LEU HD11 H 7.542 -2.711 4.928 1.00 . A A . 14 LEU HD11 1 1 9 2529 1 1 14 LEU HD12 H 7.329 -2.000 6.528 1.00 . A A . 14 LEU HD12 1 1 9 2530 1 1 14 LEU HD13 H 8.310 -1.172 5.319 1.00 . A A . 14 LEU HD13 1 1 9 2531 1 1 14 LEU HD21 H 5.321 0.799 5.667 1.00 . A A . 14 LEU HD21 1 1 9 2532 1 1 14 LEU HD22 H 6.650 1.013 4.529 1.00 . A A . 14 LEU HD22 1 1 9 2533 1 1 14 LEU HD23 H 6.983 0.546 6.196 1.00 . A A . 14 LEU HD23 1 1 9 2534 1 1 14 LEU HG H 5.314 -1.473 5.431 1.00 . A A . 14 LEU HG 1 1 9 2535 1 1 14 LEU N N 6.867 0.537 1.944 1.00 . A A . 14 LEU N 1 1 9 2536 1 1 14 LEU O O 7.803 -2.826 2.063 1.00 . A A . 14 LEU O 1 1 9 2537 1 1 15 LYS C C 10.782 -2.856 0.948 1.00 . A A . 15 LYS C 1 1 9 2538 1 1 15 LYS CA C 9.635 -2.199 0.181 1.00 . A A . 15 LYS CA 1 1 9 2539 1 1 15 LYS CB C 10.180 -1.370 -0.983 1.00 . A A . 15 LYS CB 1 1 9 2540 1 1 15 LYS CD C 11.557 -1.892 -3.005 1.00 . A A . 15 LYS CD 1 1 9 2541 1 1 15 LYS CE C 11.663 -2.772 -4.252 1.00 . A A . 15 LYS CE 1 1 9 2542 1 1 15 LYS CG C 10.285 -2.249 -2.232 1.00 . A A . 15 LYS CG 1 1 9 2543 1 1 15 LYS H H 9.100 -0.263 0.965 1.00 . A A . 15 LYS H 1 1 9 2544 1 1 15 LYS HA H 8.955 -2.942 -0.188 1.00 . A A . 15 LYS HA 1 1 9 2545 1 1 15 LYS HB2 H 9.512 -0.542 -1.179 1.00 . A A . 15 LYS HB2 1 1 9 2546 1 1 15 LYS HB3 H 11.158 -0.990 -0.728 1.00 . A A . 15 LYS HB3 1 1 9 2547 1 1 15 LYS HD2 H 11.520 -0.853 -3.299 1.00 . A A . 15 LYS HD2 1 1 9 2548 1 1 15 LYS HD3 H 12.419 -2.057 -2.376 1.00 . A A . 15 LYS HD3 1 1 9 2549 1 1 15 LYS HE2 H 12.181 -3.693 -4.018 1.00 . A A . 15 LYS HE2 1 1 9 2550 1 1 15 LYS HE3 H 10.681 -2.982 -4.648 1.00 . A A . 15 LYS HE3 1 1 9 2551 1 1 15 LYS HG2 H 10.322 -3.288 -1.939 1.00 . A A . 15 LYS HG2 1 1 9 2552 1 1 15 LYS HG3 H 9.426 -2.082 -2.864 1.00 . A A . 15 LYS HG3 1 1 9 2553 1 1 15 LYS HZ1 H 12.704 -2.559 -6.041 1.00 . A A . 15 LYS HZ1 1 1 9 2554 1 1 15 LYS HZ2 H 13.311 -1.613 -4.771 1.00 . A A . 15 LYS HZ2 1 1 9 2555 1 1 15 LYS HZ3 H 11.871 -1.161 -5.553 1.00 . A A . 15 LYS HZ3 1 1 9 2556 1 1 15 LYS N N 8.918 -1.223 1.052 1.00 . A A . 15 LYS N 1 1 9 2557 1 1 15 LYS NZ N 12.446 -1.965 -5.228 1.00 . A A . 15 LYS NZ 1 1 9 2558 1 1 15 LYS O O 10.916 -4.063 0.976 1.00 . A A . 15 LYS O 1 1 9 2559 1 1 16 SER C C 13.666 -1.477 2.847 1.00 . A A . 16 SER C 1 1 9 2560 1 1 16 SER CA C 12.768 -2.614 2.344 1.00 . A A . 16 SER CA 1 1 9 2561 1 1 16 SER CB C 13.538 -3.492 1.356 1.00 . A A . 16 SER CB 1 1 9 2562 1 1 16 SER H H 11.473 -1.097 1.528 1.00 . A A . 16 SER H 1 1 9 2563 1 1 16 SER HA H 12.416 -3.208 3.169 1.00 . A A . 16 SER HA 1 1 9 2564 1 1 16 SER HB2 H 13.233 -3.257 0.350 1.00 . A A . 16 SER HB2 1 1 9 2565 1 1 16 SER HB3 H 14.599 -3.304 1.461 1.00 . A A . 16 SER HB3 1 1 9 2566 1 1 16 SER HG H 12.799 -5.222 0.862 1.00 . A A . 16 SER HG 1 1 9 2567 1 1 16 SER N N 11.611 -2.062 1.570 1.00 . A A . 16 SER N 1 1 9 2568 1 1 16 SER O O 14.542 -1.684 3.663 1.00 . A A . 16 SER O 1 1 9 2569 1 1 16 SER OG O 13.256 -4.859 1.623 1.00 . A A . 16 SER OG 1 1 9 2570 1 1 17 PHE C C 14.512 0.869 4.302 1.00 . A A . 17 PHE C 1 1 9 2571 1 1 17 PHE CA C 14.299 0.886 2.783 1.00 . A A . 17 PHE CA 1 1 9 2572 1 1 17 PHE CB C 13.516 2.151 2.385 1.00 . A A . 17 PHE CB 1 1 9 2573 1 1 17 PHE CD1 C 13.311 1.773 -0.106 1.00 . A A . 17 PHE CD1 1 1 9 2574 1 1 17 PHE CD2 C 11.295 1.818 1.241 1.00 . A A . 17 PHE CD2 1 1 9 2575 1 1 17 PHE CE1 C 12.538 1.545 -1.252 1.00 . A A . 17 PHE CE1 1 1 9 2576 1 1 17 PHE CE2 C 10.524 1.591 0.096 1.00 . A A . 17 PHE CE2 1 1 9 2577 1 1 17 PHE CG C 12.688 1.910 1.141 1.00 . A A . 17 PHE CG 1 1 9 2578 1 1 17 PHE CZ C 11.145 1.454 -1.151 1.00 . A A . 17 PHE CZ 1 1 9 2579 1 1 17 PHE H H 12.755 -0.151 1.691 1.00 . A A . 17 PHE H 1 1 9 2580 1 1 17 PHE HA H 15.249 0.870 2.274 1.00 . A A . 17 PHE HA 1 1 9 2581 1 1 17 PHE HB2 H 12.864 2.434 3.195 1.00 . A A . 17 PHE HB2 1 1 9 2582 1 1 17 PHE HB3 H 14.214 2.950 2.196 1.00 . A A . 17 PHE HB3 1 1 9 2583 1 1 17 PHE HD1 H 14.384 1.844 -0.184 1.00 . A A . 17 PHE HD1 1 1 9 2584 1 1 17 PHE HD2 H 10.816 1.923 2.203 1.00 . A A . 17 PHE HD2 1 1 9 2585 1 1 17 PHE HE1 H 13.017 1.439 -2.214 1.00 . A A . 17 PHE HE1 1 1 9 2586 1 1 17 PHE HE2 H 9.449 1.519 0.175 1.00 . A A . 17 PHE HE2 1 1 9 2587 1 1 17 PHE HZ H 10.550 1.278 -2.034 1.00 . A A . 17 PHE HZ 1 1 9 2588 1 1 17 PHE N N 13.459 -0.281 2.353 1.00 . A A . 17 PHE N 1 1 9 2589 1 1 17 PHE O O 13.637 1.239 5.059 1.00 . A A . 17 PHE O 1 1 9 2590 1 1 18 NH2 HN1 H 15.800 0.438 5.750 1.00 . A A . 18 NH2 HN1 1 1 9 2591 1 1 18 NH2 HN2 H 16.359 0.153 4.174 1.00 . A A . 18 NH2 HN2 1 1 9 2592 1 1 18 NH2 N N 15.652 0.452 4.782 1.00 . A A . 18 NH2 N 1 1 10 2593 1 1 1 MET C C -12.429 1.542 5.190 1.00 . A A . 1 MET C 1 1 10 2594 1 1 1 MET CA C -13.373 1.931 6.333 1.00 . A A . 1 MET CA 1 1 10 2595 1 1 1 MET CB C -12.627 2.744 7.391 1.00 . A A . 1 MET CB 1 1 10 2596 1 1 1 MET CE C -10.547 6.051 7.199 1.00 . A A . 1 MET CE 1 1 10 2597 1 1 1 MET CG C -12.513 4.199 6.931 1.00 . A A . 1 MET CG 1 1 10 2598 1 1 1 MET H1 H -14.539 0.209 6.456 1.00 . A A . 1 MET H1 1 1 10 2599 1 1 1 MET H2 H -14.303 0.991 7.945 1.00 . A A . 1 MET H2 1 1 10 2600 1 1 1 MET H3 H -13.044 0.087 7.246 1.00 . A A . 1 MET H3 1 1 10 2601 1 1 1 MET HA H -14.210 2.498 5.956 1.00 . A A . 1 MET HA 1 1 10 2602 1 1 1 MET HB2 H -13.168 2.702 8.325 1.00 . A A . 1 MET HB2 1 1 10 2603 1 1 1 MET HB3 H -11.638 2.334 7.530 1.00 . A A . 1 MET HB3 1 1 10 2604 1 1 1 MET HE1 H -9.903 5.328 6.716 1.00 . A A . 1 MET HE1 1 1 10 2605 1 1 1 MET HE2 H -9.955 6.717 7.810 1.00 . A A . 1 MET HE2 1 1 10 2606 1 1 1 MET HE3 H -11.067 6.624 6.448 1.00 . A A . 1 MET HE3 1 1 10 2607 1 1 1 MET HG2 H -11.904 4.248 6.041 1.00 . A A . 1 MET HG2 1 1 10 2608 1 1 1 MET HG3 H -13.498 4.587 6.717 1.00 . A A . 1 MET HG3 1 1 10 2609 1 1 1 MET N N -13.851 0.712 7.049 1.00 . A A . 1 MET N 1 1 10 2610 1 1 1 MET O O -11.635 2.340 4.733 1.00 . A A . 1 MET O 1 1 10 2611 1 1 1 MET SD S -11.747 5.186 8.240 1.00 . A A . 1 MET SD 1 1 10 2612 1 1 2 ALA C C -10.149 0.128 3.966 1.00 . A A . 2 ALA C 1 1 10 2613 1 1 2 ALA CA C -11.618 -0.125 3.611 1.00 . A A . 2 ALA CA 1 1 10 2614 1 1 2 ALA CB C -12.031 0.716 2.402 1.00 . A A . 2 ALA CB 1 1 10 2615 1 1 2 ALA H H -13.159 -0.305 5.109 1.00 . A A . 2 ALA H 1 1 10 2616 1 1 2 ALA HA H -11.777 -1.171 3.400 1.00 . A A . 2 ALA HA 1 1 10 2617 1 1 2 ALA HB1 H -11.439 1.620 2.374 1.00 . A A . 2 ALA HB1 1 1 10 2618 1 1 2 ALA HB2 H -13.077 0.974 2.483 1.00 . A A . 2 ALA HB2 1 1 10 2619 1 1 2 ALA HB3 H -11.868 0.151 1.496 1.00 . A A . 2 ALA HB3 1 1 10 2620 1 1 2 ALA N N -12.511 0.321 4.726 1.00 . A A . 2 ALA N 1 1 10 2621 1 1 2 ALA O O -9.837 0.657 5.016 1.00 . A A . 2 ALA O 1 1 10 2622 1 1 3 THR C C -6.965 -0.313 2.131 1.00 . A A . 3 THR C 1 1 10 2623 1 1 3 THR CA C -7.798 -0.027 3.382 1.00 . A A . 3 THR CA 1 1 10 2624 1 1 3 THR CB C -7.452 -1.019 4.497 1.00 . A A . 3 THR CB 1 1 10 2625 1 1 3 THR CG2 C -7.782 -2.443 4.047 1.00 . A A . 3 THR CG2 1 1 10 2626 1 1 3 THR H H -9.523 -0.670 2.259 1.00 . A A . 3 THR H 1 1 10 2627 1 1 3 THR HA H -7.628 0.981 3.719 1.00 . A A . 3 THR HA 1 1 10 2628 1 1 3 THR HB H -8.027 -0.782 5.379 1.00 . A A . 3 THR HB 1 1 10 2629 1 1 3 THR HG1 H -5.907 -1.394 5.619 1.00 . A A . 3 THR HG1 1 1 10 2630 1 1 3 THR HG21 H -7.288 -2.647 3.108 1.00 . A A . 3 THR HG21 1 1 10 2631 1 1 3 THR HG22 H -8.850 -2.542 3.921 1.00 . A A . 3 THR HG22 1 1 10 2632 1 1 3 THR HG23 H -7.441 -3.145 4.794 1.00 . A A . 3 THR HG23 1 1 10 2633 1 1 3 THR N N -9.247 -0.246 3.098 1.00 . A A . 3 THR N 1 1 10 2634 1 1 3 THR O O -5.935 -0.956 2.191 1.00 . A A . 3 THR O 1 1 10 2635 1 1 3 THR OG1 O -6.066 -0.924 4.797 1.00 . A A . 3 THR OG1 1 1 10 2636 1 1 4 LEU C C -5.336 0.714 -0.234 1.00 . A A . 4 LEU C 1 1 10 2637 1 1 4 LEU CA C -6.642 -0.077 -0.258 1.00 . A A . 4 LEU CA 1 1 10 2638 1 1 4 LEU CB C -7.554 0.414 -1.385 1.00 . A A . 4 LEU CB 1 1 10 2639 1 1 4 LEU CD1 C -10.035 0.122 -1.548 1.00 . A A . 4 LEU CD1 1 1 10 2640 1 1 4 LEU CD2 C -8.522 -1.246 -2.989 1.00 . A A . 4 LEU CD2 1 1 10 2641 1 1 4 LEU CG C -8.684 -0.595 -1.612 1.00 . A A . 4 LEU CG 1 1 10 2642 1 1 4 LEU H H -8.235 0.676 0.973 1.00 . A A . 4 LEU H 1 1 10 2643 1 1 4 LEU HA H -6.441 -1.127 -0.375 1.00 . A A . 4 LEU HA 1 1 10 2644 1 1 4 LEU HB2 H -7.974 1.372 -1.114 1.00 . A A . 4 LEU HB2 1 1 10 2645 1 1 4 LEU HB3 H -6.978 0.519 -2.293 1.00 . A A . 4 LEU HB3 1 1 10 2646 1 1 4 LEU HD11 H -10.779 -0.465 -2.066 1.00 . A A . 4 LEU HD11 1 1 10 2647 1 1 4 LEU HD12 H -9.950 1.091 -2.016 1.00 . A A . 4 LEU HD12 1 1 10 2648 1 1 4 LEU HD13 H -10.328 0.245 -0.516 1.00 . A A . 4 LEU HD13 1 1 10 2649 1 1 4 LEU HD21 H -9.239 -2.046 -3.097 1.00 . A A . 4 LEU HD21 1 1 10 2650 1 1 4 LEU HD22 H -7.523 -1.643 -3.083 1.00 . A A . 4 LEU HD22 1 1 10 2651 1 1 4 LEU HD23 H -8.689 -0.506 -3.758 1.00 . A A . 4 LEU HD23 1 1 10 2652 1 1 4 LEU HG H -8.647 -1.358 -0.847 1.00 . A A . 4 LEU HG 1 1 10 2653 1 1 4 LEU N N -7.405 0.162 0.997 1.00 . A A . 4 LEU N 1 1 10 2654 1 1 4 LEU O O -4.267 0.161 -0.401 1.00 . A A . 4 LEU O 1 1 10 2655 1 1 5 GLU C C -3.227 2.245 1.098 1.00 . A A . 5 GLU C 1 1 10 2656 1 1 5 GLU CA C -4.154 2.809 0.027 1.00 . A A . 5 GLU CA 1 1 10 2657 1 1 5 GLU CB C -4.597 4.230 0.374 1.00 . A A . 5 GLU CB 1 1 10 2658 1 1 5 GLU CD C -5.097 6.495 -0.555 1.00 . A A . 5 GLU CD 1 1 10 2659 1 1 5 GLU CG C -4.710 5.058 -0.907 1.00 . A A . 5 GLU CG 1 1 10 2660 1 1 5 GLU H H -6.273 2.431 0.124 1.00 . A A . 5 GLU H 1 1 10 2661 1 1 5 GLU HA H -3.665 2.788 -0.929 1.00 . A A . 5 GLU HA 1 1 10 2662 1 1 5 GLU HB2 H -5.557 4.196 0.869 1.00 . A A . 5 GLU HB2 1 1 10 2663 1 1 5 GLU HB3 H -3.870 4.683 1.030 1.00 . A A . 5 GLU HB3 1 1 10 2664 1 1 5 GLU HG2 H -3.761 5.055 -1.422 1.00 . A A . 5 GLU HG2 1 1 10 2665 1 1 5 GLU HG3 H -5.469 4.630 -1.546 1.00 . A A . 5 GLU HG3 1 1 10 2666 1 1 5 GLU N N -5.405 2.001 -0.017 1.00 . A A . 5 GLU N 1 1 10 2667 1 1 5 GLU O O -2.024 2.208 0.938 1.00 . A A . 5 GLU O 1 1 10 2668 1 1 5 GLU OE1 O -6.253 6.713 -0.229 1.00 . A A . 5 GLU OE1 1 1 10 2669 1 1 5 GLU OE2 O -4.232 7.353 -0.617 1.00 . A A . 5 GLU OE2 1 1 10 2670 1 1 6 LYS C C -2.296 -0.103 2.702 1.00 . A A . 6 LYS C 1 1 10 2671 1 1 6 LYS CA C -2.946 1.175 3.242 1.00 . A A . 6 LYS CA 1 1 10 2672 1 1 6 LYS CB C -3.911 0.851 4.386 1.00 . A A . 6 LYS CB 1 1 10 2673 1 1 6 LYS CD C -4.114 2.876 5.836 1.00 . A A . 6 LYS CD 1 1 10 2674 1 1 6 LYS CE C -3.640 3.536 7.133 1.00 . A A . 6 LYS CE 1 1 10 2675 1 1 6 LYS CG C -3.425 1.520 5.674 1.00 . A A . 6 LYS CG 1 1 10 2676 1 1 6 LYS H H -4.759 1.793 2.273 1.00 . A A . 6 LYS H 1 1 10 2677 1 1 6 LYS HA H -2.199 1.876 3.569 1.00 . A A . 6 LYS HA 1 1 10 2678 1 1 6 LYS HB2 H -4.898 1.216 4.140 1.00 . A A . 6 LYS HB2 1 1 10 2679 1 1 6 LYS HB3 H -3.950 -0.219 4.531 1.00 . A A . 6 LYS HB3 1 1 10 2680 1 1 6 LYS HD2 H -3.864 3.509 4.997 1.00 . A A . 6 LYS HD2 1 1 10 2681 1 1 6 LYS HD3 H -5.182 2.735 5.876 1.00 . A A . 6 LYS HD3 1 1 10 2682 1 1 6 LYS HE2 H -4.439 4.121 7.568 1.00 . A A . 6 LYS HE2 1 1 10 2683 1 1 6 LYS HE3 H -3.294 2.791 7.831 1.00 . A A . 6 LYS HE3 1 1 10 2684 1 1 6 LYS HG2 H -3.663 0.889 6.518 1.00 . A A . 6 LYS HG2 1 1 10 2685 1 1 6 LYS HG3 H -2.356 1.665 5.622 1.00 . A A . 6 LYS HG3 1 1 10 2686 1 1 6 LYS HZ1 H -1.759 3.842 6.296 1.00 . A A . 6 LYS HZ1 1 1 10 2687 1 1 6 LYS HZ2 H -2.133 4.906 7.562 1.00 . A A . 6 LYS HZ2 1 1 10 2688 1 1 6 LYS HZ3 H -2.849 5.119 6.037 1.00 . A A . 6 LYS HZ3 1 1 10 2689 1 1 6 LYS N N -3.787 1.774 2.176 1.00 . A A . 6 LYS N 1 1 10 2690 1 1 6 LYS NZ N -2.510 4.417 6.726 1.00 . A A . 6 LYS NZ 1 1 10 2691 1 1 6 LYS O O -1.390 -0.651 3.300 1.00 . A A . 6 LYS O 1 1 10 2692 1 1 7 LEU C C -1.215 -1.448 -0.152 1.00 . A A . 7 LEU C 1 1 10 2693 1 1 7 LEU CA C -2.177 -1.815 0.988 1.00 . A A . 7 LEU CA 1 1 10 2694 1 1 7 LEU CB C -3.397 -2.620 0.498 1.00 . A A . 7 LEU CB 1 1 10 2695 1 1 7 LEU CD1 C -2.617 -3.560 -1.686 1.00 . A A . 7 LEU CD1 1 1 10 2696 1 1 7 LEU CD2 C -4.995 -2.845 -1.416 1.00 . A A . 7 LEU CD2 1 1 10 2697 1 1 7 LEU CG C -3.545 -2.539 -1.027 1.00 . A A . 7 LEU CG 1 1 10 2698 1 1 7 LEU H H -3.486 -0.129 1.103 1.00 . A A . 7 LEU H 1 1 10 2699 1 1 7 LEU HA H -1.659 -2.365 1.749 1.00 . A A . 7 LEU HA 1 1 10 2700 1 1 7 LEU HB2 H -3.280 -3.652 0.787 1.00 . A A . 7 LEU HB2 1 1 10 2701 1 1 7 LEU HB3 H -4.290 -2.222 0.960 1.00 . A A . 7 LEU HB3 1 1 10 2702 1 1 7 LEU HD11 H -1.786 -3.769 -1.028 1.00 . A A . 7 LEU HD11 1 1 10 2703 1 1 7 LEU HD12 H -2.245 -3.160 -2.617 1.00 . A A . 7 LEU HD12 1 1 10 2704 1 1 7 LEU HD13 H -3.162 -4.472 -1.877 1.00 . A A . 7 LEU HD13 1 1 10 2705 1 1 7 LEU HD21 H -5.033 -3.770 -1.972 1.00 . A A . 7 LEU HD21 1 1 10 2706 1 1 7 LEU HD22 H -5.381 -2.042 -2.027 1.00 . A A . 7 LEU HD22 1 1 10 2707 1 1 7 LEU HD23 H -5.598 -2.937 -0.524 1.00 . A A . 7 LEU HD23 1 1 10 2708 1 1 7 LEU HG H -3.283 -1.546 -1.361 1.00 . A A . 7 LEU HG 1 1 10 2709 1 1 7 LEU N N -2.757 -0.582 1.571 1.00 . A A . 7 LEU N 1 1 10 2710 1 1 7 LEU O O -0.280 -2.168 -0.446 1.00 . A A . 7 LEU O 1 1 10 2711 1 1 8 MET C C 0.682 0.807 -1.353 1.00 . A A . 8 MET C 1 1 10 2712 1 1 8 MET CA C -0.554 0.096 -1.906 1.00 . A A . 8 MET CA 1 1 10 2713 1 1 8 MET CB C -1.399 1.058 -2.742 1.00 . A A . 8 MET CB 1 1 10 2714 1 1 8 MET CE C -1.031 1.277 -6.768 1.00 . A A . 8 MET CE 1 1 10 2715 1 1 8 MET CG C -0.698 1.328 -4.075 1.00 . A A . 8 MET CG 1 1 10 2716 1 1 8 MET H H -2.198 0.231 -0.536 1.00 . A A . 8 MET H 1 1 10 2717 1 1 8 MET HA H -0.268 -0.753 -2.497 1.00 . A A . 8 MET HA 1 1 10 2718 1 1 8 MET HB2 H -2.368 0.617 -2.926 1.00 . A A . 8 MET HB2 1 1 10 2719 1 1 8 MET HB3 H -1.521 1.987 -2.208 1.00 . A A . 8 MET HB3 1 1 10 2720 1 1 8 MET HE1 H -1.336 0.265 -6.999 1.00 . A A . 8 MET HE1 1 1 10 2721 1 1 8 MET HE2 H 0.033 1.302 -6.575 1.00 . A A . 8 MET HE2 1 1 10 2722 1 1 8 MET HE3 H -1.258 1.918 -7.604 1.00 . A A . 8 MET HE3 1 1 10 2723 1 1 8 MET HG2 H 0.039 2.106 -3.943 1.00 . A A . 8 MET HG2 1 1 10 2724 1 1 8 MET HG3 H -0.212 0.425 -4.415 1.00 . A A . 8 MET HG3 1 1 10 2725 1 1 8 MET N N -1.442 -0.329 -0.791 1.00 . A A . 8 MET N 1 1 10 2726 1 1 8 MET O O 1.800 0.505 -1.724 1.00 . A A . 8 MET O 1 1 10 2727 1 1 8 MET SD S -1.920 1.853 -5.302 1.00 . A A . 8 MET SD 1 1 10 2728 1 1 9 LYS C C 2.689 1.481 0.656 1.00 . A A . 9 LYS C 1 1 10 2729 1 1 9 LYS CA C 1.657 2.478 0.121 1.00 . A A . 9 LYS CA 1 1 10 2730 1 1 9 LYS CB C 1.073 3.313 1.263 1.00 . A A . 9 LYS CB 1 1 10 2731 1 1 9 LYS CD C -0.307 5.391 1.421 1.00 . A A . 9 LYS CD 1 1 10 2732 1 1 9 LYS CE C -0.733 6.597 0.580 1.00 . A A . 9 LYS CE 1 1 10 2733 1 1 9 LYS CG C 0.960 4.775 0.826 1.00 . A A . 9 LYS CG 1 1 10 2734 1 1 9 LYS H H -0.421 1.972 -0.179 1.00 . A A . 9 LYS H 1 1 10 2735 1 1 9 LYS HA H 2.105 3.123 -0.617 1.00 . A A . 9 LYS HA 1 1 10 2736 1 1 9 LYS HB2 H 0.093 2.936 1.519 1.00 . A A . 9 LYS HB2 1 1 10 2737 1 1 9 LYS HB3 H 1.721 3.246 2.124 1.00 . A A . 9 LYS HB3 1 1 10 2738 1 1 9 LYS HD2 H -1.098 4.655 1.422 1.00 . A A . 9 LYS HD2 1 1 10 2739 1 1 9 LYS HD3 H -0.111 5.712 2.433 1.00 . A A . 9 LYS HD3 1 1 10 2740 1 1 9 LYS HE2 H -1.416 7.222 1.140 1.00 . A A . 9 LYS HE2 1 1 10 2741 1 1 9 LYS HE3 H 0.130 7.164 0.270 1.00 . A A . 9 LYS HE3 1 1 10 2742 1 1 9 LYS HG2 H 1.825 5.322 1.173 1.00 . A A . 9 LYS HG2 1 1 10 2743 1 1 9 LYS HG3 H 0.911 4.827 -0.252 1.00 . A A . 9 LYS HG3 1 1 10 2744 1 1 9 LYS HZ1 H -2.124 5.321 -0.298 1.00 . A A . 9 LYS HZ1 1 1 10 2745 1 1 9 LYS HZ2 H -0.714 5.542 -1.215 1.00 . A A . 9 LYS HZ2 1 1 10 2746 1 1 9 LYS HZ3 H -1.883 6.773 -1.147 1.00 . A A . 9 LYS HZ3 1 1 10 2747 1 1 9 LYS N N 0.490 1.747 -0.464 1.00 . A A . 9 LYS N 1 1 10 2748 1 1 9 LYS NZ N -1.415 6.014 -0.610 1.00 . A A . 9 LYS NZ 1 1 10 2749 1 1 9 LYS O O 3.865 1.775 0.735 1.00 . A A . 9 LYS O 1 1 10 2750 1 1 10 ALA C C 4.077 -1.253 0.402 1.00 . A A . 10 ALA C 1 1 10 2751 1 1 10 ALA CA C 3.206 -0.716 1.539 1.00 . A A . 10 ALA CA 1 1 10 2752 1 1 10 ALA CB C 2.324 -1.826 2.110 1.00 . A A . 10 ALA CB 1 1 10 2753 1 1 10 ALA H H 1.306 0.089 0.942 1.00 . A A . 10 ALA H 1 1 10 2754 1 1 10 ALA HA H 3.816 -0.292 2.316 1.00 . A A . 10 ALA HA 1 1 10 2755 1 1 10 ALA HB1 H 2.157 -1.649 3.161 1.00 . A A . 10 ALA HB1 1 1 10 2756 1 1 10 ALA HB2 H 2.817 -2.779 1.979 1.00 . A A . 10 ALA HB2 1 1 10 2757 1 1 10 ALA HB3 H 1.378 -1.837 1.590 1.00 . A A . 10 ALA HB3 1 1 10 2758 1 1 10 ALA N N 2.256 0.304 1.017 1.00 . A A . 10 ALA N 1 1 10 2759 1 1 10 ALA O O 5.240 -1.548 0.584 1.00 . A A . 10 ALA O 1 1 10 2760 1 1 11 PHE C C 5.276 -0.828 -2.435 1.00 . A A . 11 PHE C 1 1 10 2761 1 1 11 PHE CA C 4.320 -1.905 -1.916 1.00 . A A . 11 PHE CA 1 1 10 2762 1 1 11 PHE CB C 3.286 -2.260 -2.989 1.00 . A A . 11 PHE CB 1 1 10 2763 1 1 11 PHE CD1 C 2.498 -3.960 -1.269 1.00 . A A . 11 PHE CD1 1 1 10 2764 1 1 11 PHE CD2 C 1.050 -3.412 -3.137 1.00 . A A . 11 PHE CD2 1 1 10 2765 1 1 11 PHE CE1 C 1.533 -4.853 -0.788 1.00 . A A . 11 PHE CE1 1 1 10 2766 1 1 11 PHE CE2 C 0.089 -4.306 -2.655 1.00 . A A . 11 PHE CE2 1 1 10 2767 1 1 11 PHE CG C 2.256 -3.235 -2.448 1.00 . A A . 11 PHE CG 1 1 10 2768 1 1 11 PHE CZ C 0.330 -5.027 -1.480 1.00 . A A . 11 PHE CZ 1 1 10 2769 1 1 11 PHE H H 2.583 -1.144 -0.904 1.00 . A A . 11 PHE H 1 1 10 2770 1 1 11 PHE HA H 4.866 -2.785 -1.625 1.00 . A A . 11 PHE HA 1 1 10 2771 1 1 11 PHE HB2 H 2.784 -1.357 -3.305 1.00 . A A . 11 PHE HB2 1 1 10 2772 1 1 11 PHE HB3 H 3.788 -2.702 -3.833 1.00 . A A . 11 PHE HB3 1 1 10 2773 1 1 11 PHE HD1 H 3.425 -3.828 -0.733 1.00 . A A . 11 PHE HD1 1 1 10 2774 1 1 11 PHE HD2 H 0.862 -2.857 -4.045 1.00 . A A . 11 PHE HD2 1 1 10 2775 1 1 11 PHE HE1 H 1.719 -5.409 0.120 1.00 . A A . 11 PHE HE1 1 1 10 2776 1 1 11 PHE HE2 H -0.841 -4.440 -3.188 1.00 . A A . 11 PHE HE2 1 1 10 2777 1 1 11 PHE HZ H -0.412 -5.717 -1.107 1.00 . A A . 11 PHE HZ 1 1 10 2778 1 1 11 PHE N N 3.522 -1.385 -0.772 1.00 . A A . 11 PHE N 1 1 10 2779 1 1 11 PHE O O 6.131 -1.091 -3.258 1.00 . A A . 11 PHE O 1 1 10 2780 1 1 12 GLU C C 6.845 2.057 -1.286 1.00 . A A . 12 GLU C 1 1 10 2781 1 1 12 GLU CA C 6.032 1.476 -2.446 1.00 . A A . 12 GLU CA 1 1 10 2782 1 1 12 GLU CB C 5.086 2.537 -3.011 1.00 . A A . 12 GLU CB 1 1 10 2783 1 1 12 GLU CD C 4.033 3.249 -5.163 1.00 . A A . 12 GLU CD 1 1 10 2784 1 1 12 GLU CG C 5.292 2.660 -4.523 1.00 . A A . 12 GLU CG 1 1 10 2785 1 1 12 GLU H H 4.434 0.580 -1.311 1.00 . A A . 12 GLU H 1 1 10 2786 1 1 12 GLU HA H 6.686 1.114 -3.223 1.00 . A A . 12 GLU HA 1 1 10 2787 1 1 12 GLU HB2 H 4.063 2.252 -2.807 1.00 . A A . 12 GLU HB2 1 1 10 2788 1 1 12 GLU HB3 H 5.292 3.488 -2.542 1.00 . A A . 12 GLU HB3 1 1 10 2789 1 1 12 GLU HG2 H 6.133 3.308 -4.719 1.00 . A A . 12 GLU HG2 1 1 10 2790 1 1 12 GLU HG3 H 5.482 1.683 -4.941 1.00 . A A . 12 GLU HG3 1 1 10 2791 1 1 12 GLU N N 5.134 0.385 -1.968 1.00 . A A . 12 GLU N 1 1 10 2792 1 1 12 GLU O O 8.012 2.360 -1.429 1.00 . A A . 12 GLU O 1 1 10 2793 1 1 12 GLU OE1 O 2.964 2.711 -4.926 1.00 . A A . 12 GLU OE1 1 1 10 2794 1 1 12 GLU OE2 O 4.160 4.228 -5.880 1.00 . A A . 12 GLU OE2 1 1 10 2795 1 1 13 SER C C 7.610 1.727 1.868 1.00 . A A . 13 SER C 1 1 10 2796 1 1 13 SER CA C 6.964 2.817 1.011 1.00 . A A . 13 SER CA 1 1 10 2797 1 1 13 SER CB C 5.902 3.568 1.812 1.00 . A A . 13 SER CB 1 1 10 2798 1 1 13 SER H H 5.290 1.998 -0.061 1.00 . A A . 13 SER H 1 1 10 2799 1 1 13 SER HA H 7.708 3.501 0.662 1.00 . A A . 13 SER HA 1 1 10 2800 1 1 13 SER HB2 H 5.107 3.881 1.156 1.00 . A A . 13 SER HB2 1 1 10 2801 1 1 13 SER HB3 H 5.499 2.914 2.575 1.00 . A A . 13 SER HB3 1 1 10 2802 1 1 13 SER HG H 6.232 5.483 1.902 1.00 . A A . 13 SER HG 1 1 10 2803 1 1 13 SER N N 6.233 2.233 -0.148 1.00 . A A . 13 SER N 1 1 10 2804 1 1 13 SER O O 8.560 1.975 2.584 1.00 . A A . 13 SER O 1 1 10 2805 1 1 13 SER OG O 6.491 4.713 2.413 1.00 . A A . 13 SER OG 1 1 10 2806 1 1 14 LEU C C 8.835 -1.263 1.869 1.00 . A A . 14 LEU C 1 1 10 2807 1 1 14 LEU CA C 7.696 -0.568 2.626 1.00 . A A . 14 LEU CA 1 1 10 2808 1 1 14 LEU CB C 6.549 -1.543 2.887 1.00 . A A . 14 LEU CB 1 1 10 2809 1 1 14 LEU CD1 C 6.332 -1.013 5.320 1.00 . A A . 14 LEU CD1 1 1 10 2810 1 1 14 LEU CD2 C 5.698 -3.276 4.473 1.00 . A A . 14 LEU CD2 1 1 10 2811 1 1 14 LEU CG C 6.670 -2.106 4.304 1.00 . A A . 14 LEU CG 1 1 10 2812 1 1 14 LEU H H 6.341 0.349 1.230 1.00 . A A . 14 LEU H 1 1 10 2813 1 1 14 LEU HA H 8.054 -0.172 3.557 1.00 . A A . 14 LEU HA 1 1 10 2814 1 1 14 LEU HB2 H 5.606 -1.025 2.784 1.00 . A A . 14 LEU HB2 1 1 10 2815 1 1 14 LEU HB3 H 6.595 -2.354 2.175 1.00 . A A . 14 LEU HB3 1 1 10 2816 1 1 14 LEU HD11 H 5.897 -1.462 6.200 1.00 . A A . 14 LEU HD11 1 1 10 2817 1 1 14 LEU HD12 H 5.627 -0.322 4.882 1.00 . A A . 14 LEU HD12 1 1 10 2818 1 1 14 LEU HD13 H 7.233 -0.484 5.593 1.00 . A A . 14 LEU HD13 1 1 10 2819 1 1 14 LEU HD21 H 4.819 -3.104 3.869 1.00 . A A . 14 LEU HD21 1 1 10 2820 1 1 14 LEU HD22 H 5.412 -3.359 5.511 1.00 . A A . 14 LEU HD22 1 1 10 2821 1 1 14 LEU HD23 H 6.178 -4.191 4.157 1.00 . A A . 14 LEU HD23 1 1 10 2822 1 1 14 LEU HG H 7.682 -2.449 4.469 1.00 . A A . 14 LEU HG 1 1 10 2823 1 1 14 LEU N N 7.105 0.527 1.806 1.00 . A A . 14 LEU N 1 1 10 2824 1 1 14 LEU O O 9.236 -2.358 2.212 1.00 . A A . 14 LEU O 1 1 10 2825 1 1 15 LYS C C 11.689 -1.463 0.994 1.00 . A A . 15 LYS C 1 1 10 2826 1 1 15 LYS CA C 10.480 -1.263 0.084 1.00 . A A . 15 LYS CA 1 1 10 2827 1 1 15 LYS CB C 10.810 -0.267 -1.025 1.00 . A A . 15 LYS CB 1 1 10 2828 1 1 15 LYS CD C 10.057 -1.391 -3.126 1.00 . A A . 15 LYS CD 1 1 10 2829 1 1 15 LYS CE C 10.315 -2.720 -3.838 1.00 . A A . 15 LYS CE 1 1 10 2830 1 1 15 LYS CG C 11.272 -1.022 -2.272 1.00 . A A . 15 LYS CG 1 1 10 2831 1 1 15 LYS H H 9.030 0.247 0.592 1.00 . A A . 15 LYS H 1 1 10 2832 1 1 15 LYS HA H 10.172 -2.195 -0.343 1.00 . A A . 15 LYS HA 1 1 10 2833 1 1 15 LYS HB2 H 9.931 0.316 -1.259 1.00 . A A . 15 LYS HB2 1 1 10 2834 1 1 15 LYS HB3 H 11.600 0.390 -0.692 1.00 . A A . 15 LYS HB3 1 1 10 2835 1 1 15 LYS HD2 H 9.187 -1.484 -2.491 1.00 . A A . 15 LYS HD2 1 1 10 2836 1 1 15 LYS HD3 H 9.886 -0.619 -3.860 1.00 . A A . 15 LYS HD3 1 1 10 2837 1 1 15 LYS HE2 H 11.164 -2.630 -4.502 1.00 . A A . 15 LYS HE2 1 1 10 2838 1 1 15 LYS HE3 H 10.481 -3.506 -3.118 1.00 . A A . 15 LYS HE3 1 1 10 2839 1 1 15 LYS HG2 H 11.939 -0.395 -2.846 1.00 . A A . 15 LYS HG2 1 1 10 2840 1 1 15 LYS HG3 H 11.788 -1.923 -1.978 1.00 . A A . 15 LYS HG3 1 1 10 2841 1 1 15 LYS HZ1 H 8.985 -2.296 -5.381 1.00 . A A . 15 LYS HZ1 1 1 10 2842 1 1 15 LYS HZ2 H 8.248 -2.910 -3.983 1.00 . A A . 15 LYS HZ2 1 1 10 2843 1 1 15 LYS HZ3 H 9.114 -3.949 -5.012 1.00 . A A . 15 LYS HZ3 1 1 10 2844 1 1 15 LYS N N 9.363 -0.637 0.850 1.00 . A A . 15 LYS N 1 1 10 2845 1 1 15 LYS NZ N 9.072 -2.989 -4.612 1.00 . A A . 15 LYS NZ 1 1 10 2846 1 1 15 LYS O O 12.212 -2.551 1.133 1.00 . A A . 15 LYS O 1 1 10 2847 1 1 16 SER C C 13.665 0.936 2.952 1.00 . A A . 16 SER C 1 1 10 2848 1 1 16 SER CA C 13.310 -0.477 2.523 1.00 . A A . 16 SER CA 1 1 10 2849 1 1 16 SER CB C 14.447 -1.077 1.691 1.00 . A A . 16 SER CB 1 1 10 2850 1 1 16 SER H H 11.685 0.454 1.472 1.00 . A A . 16 SER H 1 1 10 2851 1 1 16 SER HA H 13.096 -1.093 3.374 1.00 . A A . 16 SER HA 1 1 10 2852 1 1 16 SER HB2 H 15.386 -0.658 2.012 1.00 . A A . 16 SER HB2 1 1 10 2853 1 1 16 SER HB3 H 14.466 -2.148 1.832 1.00 . A A . 16 SER HB3 1 1 10 2854 1 1 16 SER HG H 14.816 -0.031 0.092 1.00 . A A . 16 SER HG 1 1 10 2855 1 1 16 SER N N 12.132 -0.405 1.611 1.00 . A A . 16 SER N 1 1 10 2856 1 1 16 SER O O 13.998 1.202 4.091 1.00 . A A . 16 SER O 1 1 10 2857 1 1 16 SER OG O 14.246 -0.769 0.317 1.00 . A A . 16 SER OG 1 1 10 2858 1 1 17 PHE C C 12.791 3.878 3.198 1.00 . A A . 17 PHE C 1 1 10 2859 1 1 17 PHE CA C 13.892 3.268 2.325 1.00 . A A . 17 PHE CA 1 1 10 2860 1 1 17 PHE CB C 13.960 3.987 0.967 1.00 . A A . 17 PHE CB 1 1 10 2861 1 1 17 PHE CD1 C 11.505 3.760 0.392 1.00 . A A . 17 PHE CD1 1 1 10 2862 1 1 17 PHE CD2 C 13.155 2.835 -1.126 1.00 . A A . 17 PHE CD2 1 1 10 2863 1 1 17 PHE CE1 C 10.481 3.319 -0.456 1.00 . A A . 17 PHE CE1 1 1 10 2864 1 1 17 PHE CE2 C 12.132 2.395 -1.972 1.00 . A A . 17 PHE CE2 1 1 10 2865 1 1 17 PHE CG C 12.844 3.518 0.056 1.00 . A A . 17 PHE CG 1 1 10 2866 1 1 17 PHE CZ C 10.795 2.637 -1.638 1.00 . A A . 17 PHE CZ 1 1 10 2867 1 1 17 PHE H H 13.302 1.572 1.130 1.00 . A A . 17 PHE H 1 1 10 2868 1 1 17 PHE HA H 14.842 3.338 2.822 1.00 . A A . 17 PHE HA 1 1 10 2869 1 1 17 PHE HB2 H 13.869 5.051 1.122 1.00 . A A . 17 PHE HB2 1 1 10 2870 1 1 17 PHE HB3 H 14.912 3.775 0.501 1.00 . A A . 17 PHE HB3 1 1 10 2871 1 1 17 PHE HD1 H 11.260 4.287 1.302 1.00 . A A . 17 PHE HD1 1 1 10 2872 1 1 17 PHE HD2 H 14.184 2.646 -1.384 1.00 . A A . 17 PHE HD2 1 1 10 2873 1 1 17 PHE HE1 H 9.451 3.504 -0.198 1.00 . A A . 17 PHE HE1 1 1 10 2874 1 1 17 PHE HE2 H 12.373 1.865 -2.883 1.00 . A A . 17 PHE HE2 1 1 10 2875 1 1 17 PHE HZ H 10.007 2.298 -2.292 1.00 . A A . 17 PHE HZ 1 1 10 2876 1 1 17 PHE N N 13.579 1.840 2.027 1.00 . A A . 17 PHE N 1 1 10 2877 1 1 17 PHE O O 11.778 3.256 3.448 1.00 . A A . 17 PHE O 1 1 10 2878 1 1 18 NH2 HN1 H 12.254 5.482 4.238 1.00 . A A . 18 NH2 HN1 1 1 10 2879 1 1 18 NH2 HN2 H 13.767 5.584 3.476 1.00 . A A . 18 NH2 HN2 1 1 10 2880 1 1 18 NH2 N N 12.951 5.081 3.677 1.00 . A A . 18 NH2 N 1 1 11 2881 1 1 1 MET C C -13.501 -1.868 2.537 1.00 . A A . 1 MET C 1 1 11 2882 1 1 1 MET CA C -14.386 -1.886 3.785 1.00 . A A . 1 MET CA 1 1 11 2883 1 1 1 MET CB C -15.170 -3.197 3.867 1.00 . A A . 1 MET CB 1 1 11 2884 1 1 1 MET CE C -16.979 -5.539 4.329 1.00 . A A . 1 MET CE 1 1 11 2885 1 1 1 MET CG C -15.434 -3.544 5.333 1.00 . A A . 1 MET CG 1 1 11 2886 1 1 1 MET H1 H -16.043 -1.004 2.881 1.00 . A A . 1 MET H1 1 1 11 2887 1 1 1 MET H2 H -14.963 0.105 3.579 1.00 . A A . 1 MET H2 1 1 11 2888 1 1 1 MET H3 H -15.994 -0.815 4.565 1.00 . A A . 1 MET H3 1 1 11 2889 1 1 1 MET HA H -13.789 -1.757 4.674 1.00 . A A . 1 MET HA 1 1 11 2890 1 1 1 MET HB2 H -16.110 -3.086 3.346 1.00 . A A . 1 MET HB2 1 1 11 2891 1 1 1 MET HB3 H -14.595 -3.988 3.409 1.00 . A A . 1 MET HB3 1 1 11 2892 1 1 1 MET HE1 H -16.579 -5.640 3.330 1.00 . A A . 1 MET HE1 1 1 11 2893 1 1 1 MET HE2 H -17.626 -4.673 4.377 1.00 . A A . 1 MET HE2 1 1 11 2894 1 1 1 MET HE3 H -17.545 -6.421 4.579 1.00 . A A . 1 MET HE3 1 1 11 2895 1 1 1 MET HG2 H -14.605 -3.208 5.937 1.00 . A A . 1 MET HG2 1 1 11 2896 1 1 1 MET HG3 H -16.340 -3.056 5.661 1.00 . A A . 1 MET HG3 1 1 11 2897 1 1 1 MET N N -15.426 -0.819 3.697 1.00 . A A . 1 MET N 1 1 11 2898 1 1 1 MET O O -13.822 -2.466 1.528 1.00 . A A . 1 MET O 1 1 11 2899 1 1 1 MET SD S -15.619 -5.336 5.504 1.00 . A A . 1 MET SD 1 1 11 2900 1 1 2 ALA C C -10.020 -1.218 1.864 1.00 . A A . 2 ALA C 1 1 11 2901 1 1 2 ALA CA C -11.482 -1.126 1.415 1.00 . A A . 2 ALA CA 1 1 11 2902 1 1 2 ALA CB C -11.760 0.232 0.767 1.00 . A A . 2 ALA CB 1 1 11 2903 1 1 2 ALA H H -12.151 -0.709 3.421 1.00 . A A . 2 ALA H 1 1 11 2904 1 1 2 ALA HA H -11.714 -1.918 0.722 1.00 . A A . 2 ALA HA 1 1 11 2905 1 1 2 ALA HB1 H -11.935 0.097 -0.290 1.00 . A A . 2 ALA HB1 1 1 11 2906 1 1 2 ALA HB2 H -10.909 0.883 0.911 1.00 . A A . 2 ALA HB2 1 1 11 2907 1 1 2 ALA HB3 H -12.634 0.676 1.222 1.00 . A A . 2 ALA HB3 1 1 11 2908 1 1 2 ALA N N -12.389 -1.184 2.597 1.00 . A A . 2 ALA N 1 1 11 2909 1 1 2 ALA O O -9.345 -2.196 1.609 1.00 . A A . 2 ALA O 1 1 11 2910 1 1 3 THR C C -7.166 -0.541 1.836 1.00 . A A . 3 THR C 1 1 11 2911 1 1 3 THR CA C -8.109 -0.225 3.000 1.00 . A A . 3 THR CA 1 1 11 2912 1 1 3 THR CB C -8.049 -1.330 4.056 1.00 . A A . 3 THR CB 1 1 11 2913 1 1 3 THR CG2 C -6.746 -1.212 4.847 1.00 . A A . 3 THR CG2 1 1 11 2914 1 1 3 THR H H -10.094 0.573 2.721 1.00 . A A . 3 THR H 1 1 11 2915 1 1 3 THR HA H -7.847 0.721 3.442 1.00 . A A . 3 THR HA 1 1 11 2916 1 1 3 THR HB H -8.085 -2.294 3.573 1.00 . A A . 3 THR HB 1 1 11 2917 1 1 3 THR HG1 H -9.713 -1.975 4.833 1.00 . A A . 3 THR HG1 1 1 11 2918 1 1 3 THR HG21 H -5.991 -0.749 4.231 1.00 . A A . 3 THR HG21 1 1 11 2919 1 1 3 THR HG22 H -6.415 -2.197 5.144 1.00 . A A . 3 THR HG22 1 1 11 2920 1 1 3 THR HG23 H -6.913 -0.609 5.727 1.00 . A A . 3 THR HG23 1 1 11 2921 1 1 3 THR N N -9.529 -0.205 2.530 1.00 . A A . 3 THR N 1 1 11 2922 1 1 3 THR O O -6.239 -1.315 1.968 1.00 . A A . 3 THR O 1 1 11 2923 1 1 3 THR OG1 O -9.156 -1.200 4.938 1.00 . A A . 3 THR OG1 1 1 11 2924 1 1 4 LEU C C -5.250 0.636 -0.370 1.00 . A A . 4 LEU C 1 1 11 2925 1 1 4 LEU CA C -6.524 -0.201 -0.472 1.00 . A A . 4 LEU CA 1 1 11 2926 1 1 4 LEU CB C -7.351 0.211 -1.690 1.00 . A A . 4 LEU CB 1 1 11 2927 1 1 4 LEU CD1 C -9.551 -0.490 -2.645 1.00 . A A . 4 LEU CD1 1 1 11 2928 1 1 4 LEU CD2 C -7.459 -1.673 -3.329 1.00 . A A . 4 LEU CD2 1 1 11 2929 1 1 4 LEU CG C -8.182 -0.980 -2.170 1.00 . A A . 4 LEU CG 1 1 11 2930 1 1 4 LEU H H -8.150 0.674 0.621 1.00 . A A . 4 LEU H 1 1 11 2931 1 1 4 LEU HA H -6.280 -1.246 -0.526 1.00 . A A . 4 LEU HA 1 1 11 2932 1 1 4 LEU HB2 H -8.008 1.025 -1.418 1.00 . A A . 4 LEU HB2 1 1 11 2933 1 1 4 LEU HB3 H -6.690 0.530 -2.482 1.00 . A A . 4 LEU HB3 1 1 11 2934 1 1 4 LEU HD11 H -9.450 0.489 -3.086 1.00 . A A . 4 LEU HD11 1 1 11 2935 1 1 4 LEU HD12 H -10.227 -0.439 -1.803 1.00 . A A . 4 LEU HD12 1 1 11 2936 1 1 4 LEU HD13 H -9.944 -1.177 -3.379 1.00 . A A . 4 LEU HD13 1 1 11 2937 1 1 4 LEU HD21 H -7.873 -1.334 -4.267 1.00 . A A . 4 LEU HD21 1 1 11 2938 1 1 4 LEU HD22 H -7.587 -2.743 -3.245 1.00 . A A . 4 LEU HD22 1 1 11 2939 1 1 4 LEU HD23 H -6.406 -1.434 -3.291 1.00 . A A . 4 LEU HD23 1 1 11 2940 1 1 4 LEU HG H -8.312 -1.679 -1.356 1.00 . A A . 4 LEU HG 1 1 11 2941 1 1 4 LEU N N -7.400 0.057 0.701 1.00 . A A . 4 LEU N 1 1 11 2942 1 1 4 LEU O O -4.154 0.120 -0.456 1.00 . A A . 4 LEU O 1 1 11 2943 1 1 5 GLU C C -3.282 2.251 1.065 1.00 . A A . 5 GLU C 1 1 11 2944 1 1 5 GLU CA C -4.160 2.775 -0.065 1.00 . A A . 5 GLU CA 1 1 11 2945 1 1 5 GLU CB C -4.672 4.183 0.246 1.00 . A A . 5 GLU CB 1 1 11 2946 1 1 5 GLU CD C -5.455 6.316 -0.791 1.00 . A A . 5 GLU CD 1 1 11 2947 1 1 5 GLU CG C -4.678 5.021 -1.033 1.00 . A A . 5 GLU CG 1 1 11 2948 1 1 5 GLU H H -6.268 2.324 -0.107 1.00 . A A . 5 GLU H 1 1 11 2949 1 1 5 GLU HA H -3.614 2.768 -0.989 1.00 . A A . 5 GLU HA 1 1 11 2950 1 1 5 GLU HB2 H -5.675 4.120 0.643 1.00 . A A . 5 GLU HB2 1 1 11 2951 1 1 5 GLU HB3 H -4.025 4.648 0.975 1.00 . A A . 5 GLU HB3 1 1 11 2952 1 1 5 GLU HG2 H -3.662 5.255 -1.315 1.00 . A A . 5 GLU HG2 1 1 11 2953 1 1 5 GLU HG3 H -5.152 4.463 -1.826 1.00 . A A . 5 GLU HG3 1 1 11 2954 1 1 5 GLU N N -5.379 1.924 -0.180 1.00 . A A . 5 GLU N 1 1 11 2955 1 1 5 GLU O O -2.070 2.217 0.960 1.00 . A A . 5 GLU O 1 1 11 2956 1 1 5 GLU OE1 O -5.341 6.856 0.297 1.00 . A A . 5 GLU OE1 1 1 11 2957 1 1 5 GLU OE2 O -6.148 6.747 -1.697 1.00 . A A . 5 GLU OE2 1 1 11 2958 1 1 6 LYS C C -2.386 -0.025 2.780 1.00 . A A . 6 LYS C 1 1 11 2959 1 1 6 LYS CA C -3.092 1.251 3.253 1.00 . A A . 6 LYS CA 1 1 11 2960 1 1 6 LYS CB C -4.112 0.929 4.349 1.00 . A A . 6 LYS CB 1 1 11 2961 1 1 6 LYS CD C -4.886 1.524 6.650 1.00 . A A . 6 LYS CD 1 1 11 2962 1 1 6 LYS CE C -4.483 0.397 7.604 1.00 . A A . 6 LYS CE 1 1 11 2963 1 1 6 LYS CG C -3.783 1.732 5.610 1.00 . A A . 6 LYS CG 1 1 11 2964 1 1 6 LYS H H -4.862 1.827 2.181 1.00 . A A . 6 LYS H 1 1 11 2965 1 1 6 LYS HA H -2.378 1.975 3.607 1.00 . A A . 6 LYS HA 1 1 11 2966 1 1 6 LYS HB2 H -5.103 1.187 4.006 1.00 . A A . 6 LYS HB2 1 1 11 2967 1 1 6 LYS HB3 H -4.074 -0.126 4.577 1.00 . A A . 6 LYS HB3 1 1 11 2968 1 1 6 LYS HD2 H -5.029 2.436 7.210 1.00 . A A . 6 LYS HD2 1 1 11 2969 1 1 6 LYS HD3 H -5.806 1.258 6.152 1.00 . A A . 6 LYS HD3 1 1 11 2970 1 1 6 LYS HE2 H -5.009 -0.514 7.353 1.00 . A A . 6 LYS HE2 1 1 11 2971 1 1 6 LYS HE3 H -3.416 0.239 7.571 1.00 . A A . 6 LYS HE3 1 1 11 2972 1 1 6 LYS HG2 H -2.838 1.397 6.012 1.00 . A A . 6 LYS HG2 1 1 11 2973 1 1 6 LYS HG3 H -3.718 2.781 5.362 1.00 . A A . 6 LYS HG3 1 1 11 2974 1 1 6 LYS HZ1 H -4.821 0.091 9.635 1.00 . A A . 6 LYS HZ1 1 1 11 2975 1 1 6 LYS HZ2 H -5.865 1.222 8.925 1.00 . A A . 6 LYS HZ2 1 1 11 2976 1 1 6 LYS HZ3 H -4.254 1.647 9.254 1.00 . A A . 6 LYS HZ3 1 1 11 2977 1 1 6 LYS N N -3.887 1.810 2.130 1.00 . A A . 6 LYS N 1 1 11 2978 1 1 6 LYS NZ N -4.886 0.875 8.957 1.00 . A A . 6 LYS NZ 1 1 11 2979 1 1 6 LYS O O -1.508 -0.542 3.444 1.00 . A A . 6 LYS O 1 1 11 2980 1 1 7 LEU C C -1.171 -1.417 -0.032 1.00 . A A . 7 LEU C 1 1 11 2981 1 1 7 LEU CA C -2.131 -1.770 1.115 1.00 . A A . 7 LEU CA 1 1 11 2982 1 1 7 LEU CB C -3.314 -2.644 0.652 1.00 . A A . 7 LEU CB 1 1 11 2983 1 1 7 LEU CD1 C -2.416 -3.682 -1.441 1.00 . A A . 7 LEU CD1 1 1 11 2984 1 1 7 LEU CD2 C -4.839 -3.098 -1.279 1.00 . A A . 7 LEU CD2 1 1 11 2985 1 1 7 LEU CG C -3.421 -2.676 -0.877 1.00 . A A . 7 LEU CG 1 1 11 2986 1 1 7 LEU H H -3.476 -0.111 1.113 1.00 . A A . 7 LEU H 1 1 11 2987 1 1 7 LEU HA H -1.601 -2.262 1.906 1.00 . A A . 7 LEU HA 1 1 11 2988 1 1 7 LEU HB2 H -3.177 -3.648 1.018 1.00 . A A . 7 LEU HB2 1 1 11 2989 1 1 7 LEU HB3 H -4.231 -2.241 1.060 1.00 . A A . 7 LEU HB3 1 1 11 2990 1 1 7 LEU HD11 H -2.048 -3.327 -2.393 1.00 . A A . 7 LEU HD11 1 1 11 2991 1 1 7 LEU HD12 H -2.900 -4.638 -1.577 1.00 . A A . 7 LEU HD12 1 1 11 2992 1 1 7 LEU HD13 H -1.590 -3.791 -0.753 1.00 . A A . 7 LEU HD13 1 1 11 2993 1 1 7 LEU HD21 H -4.822 -4.111 -1.652 1.00 . A A . 7 LEU HD21 1 1 11 2994 1 1 7 LEU HD22 H -5.206 -2.437 -2.049 1.00 . A A . 7 LEU HD22 1 1 11 2995 1 1 7 LEU HD23 H -5.489 -3.043 -0.418 1.00 . A A . 7 LEU HD23 1 1 11 2996 1 1 7 LEU HG H -3.211 -1.695 -1.273 1.00 . A A . 7 LEU HG 1 1 11 2997 1 1 7 LEU N N -2.768 -0.537 1.633 1.00 . A A . 7 LEU N 1 1 11 2998 1 1 7 LEU O O -0.195 -2.100 -0.270 1.00 . A A . 7 LEU O 1 1 11 2999 1 1 8 MET C C 0.683 0.754 -1.339 1.00 . A A . 8 MET C 1 1 11 3000 1 1 8 MET CA C -0.567 0.050 -1.872 1.00 . A A . 8 MET CA 1 1 11 3001 1 1 8 MET CB C -1.410 1.011 -2.717 1.00 . A A . 8 MET CB 1 1 11 3002 1 1 8 MET CE C -2.037 0.865 -6.787 1.00 . A A . 8 MET CE 1 1 11 3003 1 1 8 MET CG C -1.509 0.484 -4.151 1.00 . A A . 8 MET CG 1 1 11 3004 1 1 8 MET H H -2.241 0.177 -0.534 1.00 . A A . 8 MET H 1 1 11 3005 1 1 8 MET HA H -0.294 -0.811 -2.454 1.00 . A A . 8 MET HA 1 1 11 3006 1 1 8 MET HB2 H -2.400 1.089 -2.293 1.00 . A A . 8 MET HB2 1 1 11 3007 1 1 8 MET HB3 H -0.944 1.985 -2.727 1.00 . A A . 8 MET HB3 1 1 11 3008 1 1 8 MET HE1 H -1.078 1.010 -7.265 1.00 . A A . 8 MET HE1 1 1 11 3009 1 1 8 MET HE2 H -2.827 1.206 -7.440 1.00 . A A . 8 MET HE2 1 1 11 3010 1 1 8 MET HE3 H -2.174 -0.184 -6.575 1.00 . A A . 8 MET HE3 1 1 11 3011 1 1 8 MET HG2 H -0.536 0.145 -4.477 1.00 . A A . 8 MET HG2 1 1 11 3012 1 1 8 MET HG3 H -2.207 -0.340 -4.184 1.00 . A A . 8 MET HG3 1 1 11 3013 1 1 8 MET N N -1.450 -0.354 -0.743 1.00 . A A . 8 MET N 1 1 11 3014 1 1 8 MET O O 1.794 0.426 -1.709 1.00 . A A . 8 MET O 1 1 11 3015 1 1 8 MET SD S -2.085 1.807 -5.242 1.00 . A A . 8 MET SD 1 1 11 3016 1 1 9 LYS C C 2.718 1.440 0.628 1.00 . A A . 9 LYS C 1 1 11 3017 1 1 9 LYS CA C 1.692 2.442 0.093 1.00 . A A . 9 LYS CA 1 1 11 3018 1 1 9 LYS CB C 1.129 3.295 1.232 1.00 . A A . 9 LYS CB 1 1 11 3019 1 1 9 LYS CD C -0.466 5.037 0.413 1.00 . A A . 9 LYS CD 1 1 11 3020 1 1 9 LYS CE C -0.553 6.353 -0.365 1.00 . A A . 9 LYS CE 1 1 11 3021 1 1 9 LYS CG C 0.993 4.748 0.769 1.00 . A A . 9 LYS CG 1 1 11 3022 1 1 9 LYS H H -0.395 1.961 -0.185 1.00 . A A . 9 LYS H 1 1 11 3023 1 1 9 LYS HA H 2.140 3.074 -0.656 1.00 . A A . 9 LYS HA 1 1 11 3024 1 1 9 LYS HB2 H 0.160 2.915 1.521 1.00 . A A . 9 LYS HB2 1 1 11 3025 1 1 9 LYS HB3 H 1.799 3.251 2.079 1.00 . A A . 9 LYS HB3 1 1 11 3026 1 1 9 LYS HD2 H -0.854 4.233 -0.195 1.00 . A A . 9 LYS HD2 1 1 11 3027 1 1 9 LYS HD3 H -1.049 5.119 1.318 1.00 . A A . 9 LYS HD3 1 1 11 3028 1 1 9 LYS HE2 H 0.113 6.327 -1.217 1.00 . A A . 9 LYS HE2 1 1 11 3029 1 1 9 LYS HE3 H -1.566 6.537 -0.684 1.00 . A A . 9 LYS HE3 1 1 11 3030 1 1 9 LYS HG2 H 1.308 5.409 1.564 1.00 . A A . 9 LYS HG2 1 1 11 3031 1 1 9 LYS HG3 H 1.613 4.910 -0.100 1.00 . A A . 9 LYS HG3 1 1 11 3032 1 1 9 LYS HZ1 H -0.334 8.341 0.211 1.00 . A A . 9 LYS HZ1 1 1 11 3033 1 1 9 LYS HZ2 H 0.901 7.320 0.768 1.00 . A A . 9 LYS HZ2 1 1 11 3034 1 1 9 LYS HZ3 H -0.633 7.274 1.499 1.00 . A A . 9 LYS HZ3 1 1 11 3035 1 1 9 LYS N N 0.511 1.717 -0.469 1.00 . A A . 9 LYS N 1 1 11 3036 1 1 9 LYS NZ N -0.123 7.401 0.601 1.00 . A A . 9 LYS NZ 1 1 11 3037 1 1 9 LYS O O 3.901 1.709 0.664 1.00 . A A . 9 LYS O 1 1 11 3038 1 1 10 ALA C C 4.094 -1.266 0.428 1.00 . A A . 10 ALA C 1 1 11 3039 1 1 10 ALA CA C 3.216 -0.735 1.564 1.00 . A A . 10 ALA CA 1 1 11 3040 1 1 10 ALA CB C 2.331 -1.849 2.124 1.00 . A A . 10 ALA CB 1 1 11 3041 1 1 10 ALA H H 1.314 0.089 0.999 1.00 . A A . 10 ALA H 1 1 11 3042 1 1 10 ALA HA H 3.821 -0.314 2.346 1.00 . A A . 10 ALA HA 1 1 11 3043 1 1 10 ALA HB1 H 2.229 -2.632 1.387 1.00 . A A . 10 ALA HB1 1 1 11 3044 1 1 10 ALA HB2 H 1.356 -1.449 2.361 1.00 . A A . 10 ALA HB2 1 1 11 3045 1 1 10 ALA HB3 H 2.783 -2.252 3.018 1.00 . A A . 10 ALA HB3 1 1 11 3046 1 1 10 ALA N N 2.270 0.285 1.039 1.00 . A A . 10 ALA N 1 1 11 3047 1 1 10 ALA O O 5.258 -1.555 0.613 1.00 . A A . 10 ALA O 1 1 11 3048 1 1 11 PHE C C 5.267 -0.798 -2.429 1.00 . A A . 11 PHE C 1 1 11 3049 1 1 11 PHE CA C 4.346 -1.898 -1.895 1.00 . A A . 11 PHE CA 1 1 11 3050 1 1 11 PHE CB C 3.315 -2.286 -2.958 1.00 . A A . 11 PHE CB 1 1 11 3051 1 1 11 PHE CD1 C 2.587 -4.004 -1.229 1.00 . A A . 11 PHE CD1 1 1 11 3052 1 1 11 PHE CD2 C 1.120 -3.514 -3.098 1.00 . A A . 11 PHE CD2 1 1 11 3053 1 1 11 PHE CE1 C 1.654 -4.929 -0.743 1.00 . A A . 11 PHE CE1 1 1 11 3054 1 1 11 PHE CE2 C 0.190 -4.438 -2.610 1.00 . A A . 11 PHE CE2 1 1 11 3055 1 1 11 PHE CG C 2.321 -3.294 -2.410 1.00 . A A . 11 PHE CG 1 1 11 3056 1 1 11 PHE CZ C 0.456 -5.145 -1.433 1.00 . A A . 11 PHE CZ 1 1 11 3057 1 1 11 PHE H H 2.603 -1.150 -0.882 1.00 . A A . 11 PHE H 1 1 11 3058 1 1 11 PHE HA H 4.919 -2.762 -1.601 1.00 . A A . 11 PHE HA 1 1 11 3059 1 1 11 PHE HB2 H 2.782 -1.400 -3.271 1.00 . A A . 11 PHE HB2 1 1 11 3060 1 1 11 PHE HB3 H 3.824 -2.713 -3.806 1.00 . A A . 11 PHE HB3 1 1 11 3061 1 1 11 PHE HD1 H 3.511 -3.840 -0.695 1.00 . A A . 11 PHE HD1 1 1 11 3062 1 1 11 PHE HD2 H 0.912 -2.969 -4.007 1.00 . A A . 11 PHE HD2 1 1 11 3063 1 1 11 PHE HE1 H 1.859 -5.474 0.166 1.00 . A A . 11 PHE HE1 1 1 11 3064 1 1 11 PHE HE2 H -0.735 -4.604 -3.142 1.00 . A A . 11 PHE HE2 1 1 11 3065 1 1 11 PHE HZ H -0.262 -5.858 -1.056 1.00 . A A . 11 PHE HZ 1 1 11 3066 1 1 11 PHE N N 3.543 -1.390 -0.749 1.00 . A A . 11 PHE N 1 1 11 3067 1 1 11 PHE O O 6.122 -1.043 -3.257 1.00 . A A . 11 PHE O 1 1 11 3068 1 1 12 GLU C C 6.833 2.080 -1.344 1.00 . A A . 12 GLU C 1 1 11 3069 1 1 12 GLU CA C 5.952 1.528 -2.469 1.00 . A A . 12 GLU CA 1 1 11 3070 1 1 12 GLU CB C 4.970 2.599 -2.949 1.00 . A A . 12 GLU CB 1 1 11 3071 1 1 12 GLU CD C 4.717 4.202 -4.848 1.00 . A A . 12 GLU CD 1 1 11 3072 1 1 12 GLU CG C 5.096 2.771 -4.463 1.00 . A A . 12 GLU CG 1 1 11 3073 1 1 12 GLU H H 4.390 0.595 -1.312 1.00 . A A . 12 GLU H 1 1 11 3074 1 1 12 GLU HA H 6.562 1.193 -3.293 1.00 . A A . 12 GLU HA 1 1 11 3075 1 1 12 GLU HB2 H 3.962 2.298 -2.703 1.00 . A A . 12 GLU HB2 1 1 11 3076 1 1 12 GLU HB3 H 5.193 3.536 -2.461 1.00 . A A . 12 GLU HB3 1 1 11 3077 1 1 12 GLU HG2 H 6.116 2.575 -4.764 1.00 . A A . 12 GLU HG2 1 1 11 3078 1 1 12 GLU HG3 H 4.434 2.079 -4.961 1.00 . A A . 12 GLU HG3 1 1 11 3079 1 1 12 GLU N N 5.092 0.415 -1.972 1.00 . A A . 12 GLU N 1 1 11 3080 1 1 12 GLU O O 7.992 2.378 -1.546 1.00 . A A . 12 GLU O 1 1 11 3081 1 1 12 GLU OE1 O 5.589 5.055 -4.815 1.00 . A A . 12 GLU OE1 1 1 11 3082 1 1 12 GLU OE2 O 3.561 4.421 -5.170 1.00 . A A . 12 GLU OE2 1 1 11 3083 1 1 13 SER C C 7.711 1.681 1.803 1.00 . A A . 13 SER C 1 1 11 3084 1 1 13 SER CA C 7.092 2.795 0.956 1.00 . A A . 13 SER CA 1 1 11 3085 1 1 13 SER CB C 6.106 3.619 1.785 1.00 . A A . 13 SER CB 1 1 11 3086 1 1 13 SER H H 5.350 2.012 -0.032 1.00 . A A . 13 SER H 1 1 11 3087 1 1 13 SER HA H 7.860 3.432 0.570 1.00 . A A . 13 SER HA 1 1 11 3088 1 1 13 SER HB2 H 5.099 3.400 1.474 1.00 . A A . 13 SER HB2 1 1 11 3089 1 1 13 SER HB3 H 6.219 3.367 2.832 1.00 . A A . 13 SER HB3 1 1 11 3090 1 1 13 SER HG H 6.348 5.175 0.643 1.00 . A A . 13 SER HG 1 1 11 3091 1 1 13 SER N N 6.287 2.240 -0.168 1.00 . A A . 13 SER N 1 1 11 3092 1 1 13 SER O O 8.708 1.880 2.468 1.00 . A A . 13 SER O 1 1 11 3093 1 1 13 SER OG O 6.367 5.002 1.587 1.00 . A A . 13 SER OG 1 1 11 3094 1 1 14 LEU C C 8.709 -1.407 1.785 1.00 . A A . 14 LEU C 1 1 11 3095 1 1 14 LEU CA C 7.691 -0.603 2.601 1.00 . A A . 14 LEU CA 1 1 11 3096 1 1 14 LEU CB C 6.491 -1.474 2.973 1.00 . A A . 14 LEU CB 1 1 11 3097 1 1 14 LEU CD1 C 5.832 -0.949 5.326 1.00 . A A . 14 LEU CD1 1 1 11 3098 1 1 14 LEU CD2 C 6.035 -3.327 4.586 1.00 . A A . 14 LEU CD2 1 1 11 3099 1 1 14 LEU CG C 6.611 -1.916 4.432 1.00 . A A . 14 LEU CG 1 1 11 3100 1 1 14 LEU H H 6.329 0.375 1.255 1.00 . A A . 14 LEU H 1 1 11 3101 1 1 14 LEU HA H 8.147 -0.213 3.489 1.00 . A A . 14 LEU HA 1 1 11 3102 1 1 14 LEU HB2 H 5.582 -0.907 2.841 1.00 . A A . 14 LEU HB2 1 1 11 3103 1 1 14 LEU HB3 H 6.467 -2.346 2.335 1.00 . A A . 14 LEU HB3 1 1 11 3104 1 1 14 LEU HD11 H 4.837 -1.334 5.493 1.00 . A A . 14 LEU HD11 1 1 11 3105 1 1 14 LEU HD12 H 5.766 0.015 4.842 1.00 . A A . 14 LEU HD12 1 1 11 3106 1 1 14 LEU HD13 H 6.341 -0.844 6.272 1.00 . A A . 14 LEU HD13 1 1 11 3107 1 1 14 LEU HD21 H 4.991 -3.261 4.856 1.00 . A A . 14 LEU HD21 1 1 11 3108 1 1 14 LEU HD22 H 6.575 -3.853 5.358 1.00 . A A . 14 LEU HD22 1 1 11 3109 1 1 14 LEU HD23 H 6.132 -3.858 3.651 1.00 . A A . 14 LEU HD23 1 1 11 3110 1 1 14 LEU HG H 7.650 -1.916 4.724 1.00 . A A . 14 LEU HG 1 1 11 3111 1 1 14 LEU N N 7.130 0.514 1.790 1.00 . A A . 14 LEU N 1 1 11 3112 1 1 14 LEU O O 8.973 -2.558 2.071 1.00 . A A . 14 LEU O 1 1 11 3113 1 1 15 LYS C C 11.488 -1.945 0.823 1.00 . A A . 15 LYS C 1 1 11 3114 1 1 15 LYS CA C 10.297 -1.541 -0.047 1.00 . A A . 15 LYS CA 1 1 11 3115 1 1 15 LYS CB C 10.738 -0.542 -1.117 1.00 . A A . 15 LYS CB 1 1 11 3116 1 1 15 LYS CD C 9.457 -1.096 -3.190 1.00 . A A . 15 LYS CD 1 1 11 3117 1 1 15 LYS CE C 9.405 -2.054 -4.383 1.00 . A A . 15 LYS CE 1 1 11 3118 1 1 15 LYS CG C 10.802 -1.242 -2.476 1.00 . A A . 15 LYS CG 1 1 11 3119 1 1 15 LYS H H 9.069 0.120 0.565 1.00 . A A . 15 LYS H 1 1 11 3120 1 1 15 LYS HA H 9.855 -2.402 -0.511 1.00 . A A . 15 LYS HA 1 1 11 3121 1 1 15 LYS HB2 H 10.030 0.273 -1.163 1.00 . A A . 15 LYS HB2 1 1 11 3122 1 1 15 LYS HB3 H 11.715 -0.158 -0.867 1.00 . A A . 15 LYS HB3 1 1 11 3123 1 1 15 LYS HD2 H 8.657 -1.331 -2.503 1.00 . A A . 15 LYS HD2 1 1 11 3124 1 1 15 LYS HD3 H 9.343 -0.081 -3.541 1.00 . A A . 15 LYS HD3 1 1 11 3125 1 1 15 LYS HE2 H 9.671 -1.534 -5.293 1.00 . A A . 15 LYS HE2 1 1 11 3126 1 1 15 LYS HE3 H 10.063 -2.893 -4.220 1.00 . A A . 15 LYS HE3 1 1 11 3127 1 1 15 LYS HG2 H 11.580 -0.792 -3.076 1.00 . A A . 15 LYS HG2 1 1 11 3128 1 1 15 LYS HG3 H 11.019 -2.290 -2.332 1.00 . A A . 15 LYS HG3 1 1 11 3129 1 1 15 LYS HZ1 H 7.912 -3.306 -5.115 1.00 . A A . 15 LYS HZ1 1 1 11 3130 1 1 15 LYS HZ2 H 7.381 -1.736 -4.751 1.00 . A A . 15 LYS HZ2 1 1 11 3131 1 1 15 LYS HZ3 H 7.693 -2.838 -3.496 1.00 . A A . 15 LYS HZ3 1 1 11 3132 1 1 15 LYS N N 9.290 -0.810 0.777 1.00 . A A . 15 LYS N 1 1 11 3133 1 1 15 LYS NZ N 7.991 -2.518 -4.441 1.00 . A A . 15 LYS NZ 1 1 11 3134 1 1 15 LYS O O 11.861 -3.100 0.894 1.00 . A A . 15 LYS O 1 1 11 3135 1 1 16 SER C C 13.918 0.059 2.787 1.00 . A A . 16 SER C 1 1 11 3136 1 1 16 SER CA C 13.259 -1.262 2.370 1.00 . A A . 16 SER CA 1 1 11 3137 1 1 16 SER CB C 14.233 -2.086 1.523 1.00 . A A . 16 SER CB 1 1 11 3138 1 1 16 SER H H 11.742 -0.074 1.402 1.00 . A A . 16 SER H 1 1 11 3139 1 1 16 SER HA H 12.955 -1.823 3.237 1.00 . A A . 16 SER HA 1 1 11 3140 1 1 16 SER HB2 H 13.992 -1.971 0.480 1.00 . A A . 16 SER HB2 1 1 11 3141 1 1 16 SER HB3 H 15.243 -1.739 1.698 1.00 . A A . 16 SER HB3 1 1 11 3142 1 1 16 SER HG H 14.698 -3.617 2.631 1.00 . A A . 16 SER HG 1 1 11 3143 1 1 16 SER N N 12.080 -0.987 1.486 1.00 . A A . 16 SER N 1 1 11 3144 1 1 16 SER O O 14.739 0.100 3.681 1.00 . A A . 16 SER O 1 1 11 3145 1 1 16 SER OG O 14.121 -3.458 1.880 1.00 . A A . 16 SER OG 1 1 11 3146 1 1 17 PHE C C 14.063 2.734 3.972 1.00 . A A . 17 PHE C 1 1 11 3147 1 1 17 PHE CA C 14.164 2.465 2.467 1.00 . A A . 17 PHE CA 1 1 11 3148 1 1 17 PHE CB C 13.339 3.502 1.684 1.00 . A A . 17 PHE CB 1 1 11 3149 1 1 17 PHE CD1 C 13.844 2.312 -0.488 1.00 . A A . 17 PHE CD1 1 1 11 3150 1 1 17 PHE CD2 C 11.570 3.038 -0.060 1.00 . A A . 17 PHE CD2 1 1 11 3151 1 1 17 PHE CE1 C 13.444 1.784 -1.721 1.00 . A A . 17 PHE CE1 1 1 11 3152 1 1 17 PHE CE2 C 11.171 2.509 -1.294 1.00 . A A . 17 PHE CE2 1 1 11 3153 1 1 17 PHE CG C 12.909 2.942 0.343 1.00 . A A . 17 PHE CG 1 1 11 3154 1 1 17 PHE CZ C 12.108 1.882 -2.123 1.00 . A A . 17 PHE CZ 1 1 11 3155 1 1 17 PHE H H 12.909 1.071 1.418 1.00 . A A . 17 PHE H 1 1 11 3156 1 1 17 PHE HA H 15.194 2.502 2.150 1.00 . A A . 17 PHE HA 1 1 11 3157 1 1 17 PHE HB2 H 12.462 3.768 2.256 1.00 . A A . 17 PHE HB2 1 1 11 3158 1 1 17 PHE HB3 H 13.938 4.383 1.524 1.00 . A A . 17 PHE HB3 1 1 11 3159 1 1 17 PHE HD1 H 14.876 2.238 -0.178 1.00 . A A . 17 PHE HD1 1 1 11 3160 1 1 17 PHE HD2 H 10.846 3.521 0.580 1.00 . A A . 17 PHE HD2 1 1 11 3161 1 1 17 PHE HE1 H 14.164 1.294 -2.359 1.00 . A A . 17 PHE HE1 1 1 11 3162 1 1 17 PHE HE2 H 10.139 2.581 -1.603 1.00 . A A . 17 PHE HE2 1 1 11 3163 1 1 17 PHE HZ H 11.798 1.474 -3.075 1.00 . A A . 17 PHE HZ 1 1 11 3164 1 1 17 PHE N N 13.566 1.137 2.134 1.00 . A A . 17 PHE N 1 1 11 3165 1 1 17 PHE O O 15.045 3.037 4.620 1.00 . A A . 17 PHE O 1 1 11 3166 1 1 18 NH2 HN1 H 12.825 2.805 5.524 1.00 . A A . 18 NH2 HN1 1 1 11 3167 1 1 18 NH2 HN2 H 12.108 2.392 4.042 1.00 . A A . 18 NH2 HN2 1 1 11 3168 1 1 18 NH2 N N 12.902 2.635 4.561 1.00 . A A . 18 NH2 N 1 1 12 3169 1 1 1 MET C C -12.781 0.360 5.342 1.00 . A A . 1 MET C 1 1 12 3170 1 1 1 MET CA C -13.581 0.440 6.645 1.00 . A A . 1 MET CA 1 1 12 3171 1 1 1 MET CB C -13.111 -0.631 7.632 1.00 . A A . 1 MET CB 1 1 12 3172 1 1 1 MET CE C -10.873 -0.543 10.992 1.00 . A A . 1 MET CE 1 1 12 3173 1 1 1 MET CG C -12.294 0.024 8.748 1.00 . A A . 1 MET CG 1 1 12 3174 1 1 1 MET H1 H -15.110 -0.882 6.140 1.00 . A A . 1 MET H1 1 1 12 3175 1 1 1 MET H2 H -15.363 0.708 5.599 1.00 . A A . 1 MET H2 1 1 12 3176 1 1 1 MET H3 H -15.575 0.322 7.240 1.00 . A A . 1 MET H3 1 1 12 3177 1 1 1 MET HA H -13.485 1.418 7.087 1.00 . A A . 1 MET HA 1 1 12 3178 1 1 1 MET HB2 H -13.969 -1.130 8.058 1.00 . A A . 1 MET HB2 1 1 12 3179 1 1 1 MET HB3 H -12.496 -1.352 7.115 1.00 . A A . 1 MET HB3 1 1 12 3180 1 1 1 MET HE1 H -10.559 0.439 10.665 1.00 . A A . 1 MET HE1 1 1 12 3181 1 1 1 MET HE2 H -10.154 -1.283 10.669 1.00 . A A . 1 MET HE2 1 1 12 3182 1 1 1 MET HE3 H -10.941 -0.556 12.068 1.00 . A A . 1 MET HE3 1 1 12 3183 1 1 1 MET HG2 H -11.251 0.042 8.468 1.00 . A A . 1 MET HG2 1 1 12 3184 1 1 1 MET HG3 H -12.642 1.034 8.904 1.00 . A A . 1 MET HG3 1 1 12 3185 1 1 1 MET N N -15.016 0.123 6.387 1.00 . A A . 1 MET N 1 1 12 3186 1 1 1 MET O O -12.724 -0.671 4.700 1.00 . A A . 1 MET O 1 1 12 3187 1 1 1 MET SD S -12.491 -0.925 10.276 1.00 . A A . 1 MET SD 1 1 12 3188 1 1 2 ALA C C -9.877 1.256 4.001 1.00 . A A . 2 ALA C 1 1 12 3189 1 1 2 ALA CA C -11.366 1.431 3.686 1.00 . A A . 2 ALA CA 1 1 12 3190 1 1 2 ALA CB C -11.621 2.796 3.046 1.00 . A A . 2 ALA CB 1 1 12 3191 1 1 2 ALA H H -12.223 2.261 5.481 1.00 . A A . 2 ALA H 1 1 12 3192 1 1 2 ALA HA H -11.708 0.646 3.030 1.00 . A A . 2 ALA HA 1 1 12 3193 1 1 2 ALA HB1 H -11.718 2.680 1.977 1.00 . A A . 2 ALA HB1 1 1 12 3194 1 1 2 ALA HB2 H -10.793 3.455 3.263 1.00 . A A . 2 ALA HB2 1 1 12 3195 1 1 2 ALA HB3 H -12.532 3.217 3.447 1.00 . A A . 2 ALA HB3 1 1 12 3196 1 1 2 ALA N N -12.163 1.441 4.948 1.00 . A A . 2 ALA N 1 1 12 3197 1 1 2 ALA O O -9.295 2.029 4.736 1.00 . A A . 2 ALA O 1 1 12 3198 1 1 3 THR C C -7.082 -0.338 2.420 1.00 . A A . 3 THR C 1 1 12 3199 1 1 3 THR CA C -7.809 0.022 3.715 1.00 . A A . 3 THR CA 1 1 12 3200 1 1 3 THR CB C -7.755 -1.143 4.709 1.00 . A A . 3 THR CB 1 1 12 3201 1 1 3 THR CG2 C -8.463 -2.365 4.118 1.00 . A A . 3 THR CG2 1 1 12 3202 1 1 3 THR H H -9.749 -0.364 2.858 1.00 . A A . 3 THR H 1 1 12 3203 1 1 3 THR HA H -7.368 0.902 4.155 1.00 . A A . 3 THR HA 1 1 12 3204 1 1 3 THR HB H -8.248 -0.855 5.625 1.00 . A A . 3 THR HB 1 1 12 3205 1 1 3 THR HG1 H -6.017 -1.841 4.186 1.00 . A A . 3 THR HG1 1 1 12 3206 1 1 3 THR HG21 H -7.916 -3.258 4.380 1.00 . A A . 3 THR HG21 1 1 12 3207 1 1 3 THR HG22 H -8.506 -2.272 3.042 1.00 . A A . 3 THR HG22 1 1 12 3208 1 1 3 THR HG23 H -9.465 -2.426 4.513 1.00 . A A . 3 THR HG23 1 1 12 3209 1 1 3 THR N N -9.260 0.246 3.450 1.00 . A A . 3 THR N 1 1 12 3210 1 1 3 THR O O -6.242 -1.215 2.389 1.00 . A A . 3 THR O 1 1 12 3211 1 1 3 THR OG1 O -6.399 -1.466 4.983 1.00 . A A . 3 THR OG1 1 1 12 3212 1 1 4 LEU C C -5.398 0.789 -0.016 1.00 . A A . 4 LEU C 1 1 12 3213 1 1 4 LEU CA C -6.731 0.047 0.056 1.00 . A A . 4 LEU CA 1 1 12 3214 1 1 4 LEU CB C -7.695 0.556 -1.021 1.00 . A A . 4 LEU CB 1 1 12 3215 1 1 4 LEU CD1 C -8.080 -1.770 -1.874 1.00 . A A . 4 LEU CD1 1 1 12 3216 1 1 4 LEU CD2 C -9.528 -0.855 -0.054 1.00 . A A . 4 LEU CD2 1 1 12 3217 1 1 4 LEU CG C -8.755 -0.510 -1.330 1.00 . A A . 4 LEU CG 1 1 12 3218 1 1 4 LEU H H -8.076 1.039 1.401 1.00 . A A . 4 LEU H 1 1 12 3219 1 1 4 LEU HA H -6.577 -1.010 -0.050 1.00 . A A . 4 LEU HA 1 1 12 3220 1 1 4 LEU HB2 H -8.183 1.453 -0.669 1.00 . A A . 4 LEU HB2 1 1 12 3221 1 1 4 LEU HB3 H -7.141 0.779 -1.920 1.00 . A A . 4 LEU HB3 1 1 12 3222 1 1 4 LEU HD11 H -7.315 -1.492 -2.584 1.00 . A A . 4 LEU HD11 1 1 12 3223 1 1 4 LEU HD12 H -8.816 -2.390 -2.363 1.00 . A A . 4 LEU HD12 1 1 12 3224 1 1 4 LEU HD13 H -7.631 -2.319 -1.060 1.00 . A A . 4 LEU HD13 1 1 12 3225 1 1 4 LEU HD21 H -9.756 0.052 0.485 1.00 . A A . 4 LEU HD21 1 1 12 3226 1 1 4 LEU HD22 H -8.926 -1.502 0.567 1.00 . A A . 4 LEU HD22 1 1 12 3227 1 1 4 LEU HD23 H -10.447 -1.360 -0.316 1.00 . A A . 4 LEU HD23 1 1 12 3228 1 1 4 LEU HG H -9.440 -0.124 -2.072 1.00 . A A . 4 LEU HG 1 1 12 3229 1 1 4 LEU N N -7.399 0.339 1.351 1.00 . A A . 4 LEU N 1 1 12 3230 1 1 4 LEU O O -4.366 0.198 -0.267 1.00 . A A . 4 LEU O 1 1 12 3231 1 1 5 GLU C C -3.143 2.232 1.163 1.00 . A A . 5 GLU C 1 1 12 3232 1 1 5 GLU CA C -4.124 2.838 0.168 1.00 . A A . 5 GLU CA 1 1 12 3233 1 1 5 GLU CB C -4.486 4.275 0.554 1.00 . A A . 5 GLU CB 1 1 12 3234 1 1 5 GLU CD C -4.914 6.341 -0.790 1.00 . A A . 5 GLU CD 1 1 12 3235 1 1 5 GLU CG C -3.892 5.248 -0.468 1.00 . A A . 5 GLU CG 1 1 12 3236 1 1 5 GLU H H -6.242 2.535 0.422 1.00 . A A . 5 GLU H 1 1 12 3237 1 1 5 GLU HA H -3.708 2.807 -0.823 1.00 . A A . 5 GLU HA 1 1 12 3238 1 1 5 GLU HB2 H -5.561 4.382 0.573 1.00 . A A . 5 GLU HB2 1 1 12 3239 1 1 5 GLU HB3 H -4.086 4.497 1.532 1.00 . A A . 5 GLU HB3 1 1 12 3240 1 1 5 GLU HG2 H -2.999 5.699 -0.059 1.00 . A A . 5 GLU HG2 1 1 12 3241 1 1 5 GLU HG3 H -3.642 4.714 -1.374 1.00 . A A . 5 GLU HG3 1 1 12 3242 1 1 5 GLU N N -5.404 2.075 0.214 1.00 . A A . 5 GLU N 1 1 12 3243 1 1 5 GLU O O -1.955 2.154 0.914 1.00 . A A . 5 GLU O 1 1 12 3244 1 1 5 GLU OE1 O -6.043 5.995 -1.100 1.00 . A A . 5 GLU OE1 1 1 12 3245 1 1 5 GLU OE2 O -4.550 7.503 -0.725 1.00 . A A . 5 GLU OE2 1 1 12 3246 1 1 6 LYS C C -2.150 -0.146 2.659 1.00 . A A . 6 LYS C 1 1 12 3247 1 1 6 LYS CA C -2.742 1.128 3.271 1.00 . A A . 6 LYS CA 1 1 12 3248 1 1 6 LYS CB C -3.640 0.787 4.461 1.00 . A A . 6 LYS CB 1 1 12 3249 1 1 6 LYS CD C -3.908 1.458 6.855 1.00 . A A . 6 LYS CD 1 1 12 3250 1 1 6 LYS CE C -4.727 0.221 7.233 1.00 . A A . 6 LYS CE 1 1 12 3251 1 1 6 LYS CG C -2.898 1.091 5.766 1.00 . A A . 6 LYS CG 1 1 12 3252 1 1 6 LYS H H -4.599 1.818 2.445 1.00 . A A . 6 LYS H 1 1 12 3253 1 1 6 LYS HA H -1.963 1.807 3.570 1.00 . A A . 6 LYS HA 1 1 12 3254 1 1 6 LYS HB2 H -4.541 1.381 4.412 1.00 . A A . 6 LYS HB2 1 1 12 3255 1 1 6 LYS HB3 H -3.895 -0.261 4.432 1.00 . A A . 6 LYS HB3 1 1 12 3256 1 1 6 LYS HD2 H -3.382 1.822 7.725 1.00 . A A . 6 LYS HD2 1 1 12 3257 1 1 6 LYS HD3 H -4.571 2.227 6.486 1.00 . A A . 6 LYS HD3 1 1 12 3258 1 1 6 LYS HE2 H -5.770 0.483 7.346 1.00 . A A . 6 LYS HE2 1 1 12 3259 1 1 6 LYS HE3 H -4.611 -0.550 6.486 1.00 . A A . 6 LYS HE3 1 1 12 3260 1 1 6 LYS HG2 H -2.337 0.219 6.071 1.00 . A A . 6 LYS HG2 1 1 12 3261 1 1 6 LYS HG3 H -2.222 1.918 5.611 1.00 . A A . 6 LYS HG3 1 1 12 3262 1 1 6 LYS HZ1 H -4.207 0.540 9.222 1.00 . A A . 6 LYS HZ1 1 1 12 3263 1 1 6 LYS HZ2 H -3.167 -0.515 8.396 1.00 . A A . 6 LYS HZ2 1 1 12 3264 1 1 6 LYS HZ3 H -4.706 -1.048 8.882 1.00 . A A . 6 LYS HZ3 1 1 12 3265 1 1 6 LYS N N -3.638 1.768 2.277 1.00 . A A . 6 LYS N 1 1 12 3266 1 1 6 LYS NZ N -4.159 -0.235 8.531 1.00 . A A . 6 LYS NZ 1 1 12 3267 1 1 6 LYS O O -1.203 -0.712 3.170 1.00 . A A . 6 LYS O 1 1 12 3268 1 1 7 LEU C C -1.265 -1.435 -0.263 1.00 . A A . 7 LEU C 1 1 12 3269 1 1 7 LEU CA C -2.186 -1.822 0.905 1.00 . A A . 7 LEU CA 1 1 12 3270 1 1 7 LEU CB C -3.447 -2.577 0.439 1.00 . A A . 7 LEU CB 1 1 12 3271 1 1 7 LEU CD1 C -2.823 -3.464 -1.814 1.00 . A A . 7 LEU CD1 1 1 12 3272 1 1 7 LEU CD2 C -5.142 -2.633 -1.400 1.00 . A A . 7 LEU CD2 1 1 12 3273 1 1 7 LEU CG C -3.661 -2.423 -1.071 1.00 . A A . 7 LEU CG 1 1 12 3274 1 1 7 LEU H H -3.464 -0.129 1.159 1.00 . A A . 7 LEU H 1 1 12 3275 1 1 7 LEU HA H -1.650 -2.414 1.621 1.00 . A A . 7 LEU HA 1 1 12 3276 1 1 7 LEU HB2 H -3.343 -3.624 0.676 1.00 . A A . 7 LEU HB2 1 1 12 3277 1 1 7 LEU HB3 H -4.309 -2.180 0.959 1.00 . A A . 7 LEU HB3 1 1 12 3278 1 1 7 LEU HD11 H -3.409 -4.359 -1.961 1.00 . A A . 7 LEU HD11 1 1 12 3279 1 1 7 LEU HD12 H -1.945 -3.700 -1.231 1.00 . A A . 7 LEU HD12 1 1 12 3280 1 1 7 LEU HD13 H -2.523 -3.067 -2.772 1.00 . A A . 7 LEU HD13 1 1 12 3281 1 1 7 LEU HD21 H -5.233 -3.284 -2.258 1.00 . A A . 7 LEU HD21 1 1 12 3282 1 1 7 LEU HD22 H -5.598 -1.681 -1.623 1.00 . A A . 7 LEU HD22 1 1 12 3283 1 1 7 LEU HD23 H -5.640 -3.083 -0.554 1.00 . A A . 7 LEU HD23 1 1 12 3284 1 1 7 LEU HG H -3.361 -1.433 -1.377 1.00 . A A . 7 LEU HG 1 1 12 3285 1 1 7 LEU N N -2.705 -0.598 1.557 1.00 . A A . 7 LEU N 1 1 12 3286 1 1 7 LEU O O -0.361 -2.164 -0.623 1.00 . A A . 7 LEU O 1 1 12 3287 1 1 8 MET C C 0.636 0.806 -1.459 1.00 . A A . 8 MET C 1 1 12 3288 1 1 8 MET CA C -0.647 0.159 -1.988 1.00 . A A . 8 MET CA 1 1 12 3289 1 1 8 MET CB C -1.497 1.185 -2.739 1.00 . A A . 8 MET CB 1 1 12 3290 1 1 8 MET CE C -2.383 3.645 -4.792 1.00 . A A . 8 MET CE 1 1 12 3291 1 1 8 MET CG C -0.797 1.572 -4.044 1.00 . A A . 8 MET CG 1 1 12 3292 1 1 8 MET H H -2.227 0.277 -0.543 1.00 . A A . 8 MET H 1 1 12 3293 1 1 8 MET HA H -0.418 -0.670 -2.628 1.00 . A A . 8 MET HA 1 1 12 3294 1 1 8 MET HB2 H -2.464 0.756 -2.962 1.00 . A A . 8 MET HB2 1 1 12 3295 1 1 8 MET HB3 H -1.624 2.065 -2.127 1.00 . A A . 8 MET HB3 1 1 12 3296 1 1 8 MET HE1 H -2.663 3.652 -3.748 1.00 . A A . 8 MET HE1 1 1 12 3297 1 1 8 MET HE2 H -3.191 4.044 -5.390 1.00 . A A . 8 MET HE2 1 1 12 3298 1 1 8 MET HE3 H -1.503 4.252 -4.931 1.00 . A A . 8 MET HE3 1 1 12 3299 1 1 8 MET HG2 H -0.179 2.441 -3.876 1.00 . A A . 8 MET HG2 1 1 12 3300 1 1 8 MET HG3 H -0.179 0.751 -4.377 1.00 . A A . 8 MET HG3 1 1 12 3301 1 1 8 MET N N -1.495 -0.288 -0.851 1.00 . A A . 8 MET N 1 1 12 3302 1 1 8 MET O O 1.730 0.410 -1.808 1.00 . A A . 8 MET O 1 1 12 3303 1 1 8 MET SD S -2.036 1.946 -5.309 1.00 . A A . 8 MET SD 1 1 12 3304 1 1 9 LYS C C 2.668 1.426 0.540 1.00 . A A . 9 LYS C 1 1 12 3305 1 1 9 LYS CA C 1.717 2.469 -0.050 1.00 . A A . 9 LYS CA 1 1 12 3306 1 1 9 LYS CB C 1.184 3.391 1.048 1.00 . A A . 9 LYS CB 1 1 12 3307 1 1 9 LYS CD C -0.299 5.393 0.810 1.00 . A A . 9 LYS CD 1 1 12 3308 1 1 9 LYS CE C -0.311 6.896 0.522 1.00 . A A . 9 LYS CE 1 1 12 3309 1 1 9 LYS CG C 1.093 4.826 0.519 1.00 . A A . 9 LYS CG 1 1 12 3310 1 1 9 LYS H H -0.388 2.095 -0.343 1.00 . A A . 9 LYS H 1 1 12 3311 1 1 9 LYS HA H 2.218 3.047 -0.810 1.00 . A A . 9 LYS HA 1 1 12 3312 1 1 9 LYS HB2 H 0.203 3.055 1.353 1.00 . A A . 9 LYS HB2 1 1 12 3313 1 1 9 LYS HB3 H 1.852 3.364 1.895 1.00 . A A . 9 LYS HB3 1 1 12 3314 1 1 9 LYS HD2 H -1.027 4.898 0.182 1.00 . A A . 9 LYS HD2 1 1 12 3315 1 1 9 LYS HD3 H -0.547 5.225 1.848 1.00 . A A . 9 LYS HD3 1 1 12 3316 1 1 9 LYS HE2 H 0.544 7.170 -0.082 1.00 . A A . 9 LYS HE2 1 1 12 3317 1 1 9 LYS HE3 H -1.229 7.177 0.027 1.00 . A A . 9 LYS HE3 1 1 12 3318 1 1 9 LYS HG2 H 1.839 5.437 1.006 1.00 . A A . 9 LYS HG2 1 1 12 3319 1 1 9 LYS HG3 H 1.265 4.830 -0.547 1.00 . A A . 9 LYS HG3 1 1 12 3320 1 1 9 LYS HZ1 H 0.693 7.352 2.287 1.00 . A A . 9 LYS HZ1 1 1 12 3321 1 1 9 LYS HZ2 H -0.981 7.163 2.474 1.00 . A A . 9 LYS HZ2 1 1 12 3322 1 1 9 LYS HZ3 H -0.363 8.572 1.755 1.00 . A A . 9 LYS HZ3 1 1 12 3323 1 1 9 LYS N N 0.506 1.796 -0.613 1.00 . A A . 9 LYS N 1 1 12 3324 1 1 9 LYS NZ N -0.234 7.545 1.860 1.00 . A A . 9 LYS NZ 1 1 12 3325 1 1 9 LYS O O 3.866 1.622 0.590 1.00 . A A . 9 LYS O 1 1 12 3326 1 1 10 ALA C C 3.986 -1.252 0.496 1.00 . A A . 10 ALA C 1 1 12 3327 1 1 10 ALA CA C 3.008 -0.745 1.558 1.00 . A A . 10 ALA CA 1 1 12 3328 1 1 10 ALA CB C 2.051 -1.860 1.979 1.00 . A A . 10 ALA CB 1 1 12 3329 1 1 10 ALA H H 1.173 0.179 0.925 1.00 . A A . 10 ALA H 1 1 12 3330 1 1 10 ALA HA H 3.538 -0.370 2.416 1.00 . A A . 10 ALA HA 1 1 12 3331 1 1 10 ALA HB1 H 2.615 -2.754 2.201 1.00 . A A . 10 ALA HB1 1 1 12 3332 1 1 10 ALA HB2 H 1.358 -2.061 1.175 1.00 . A A . 10 ALA HB2 1 1 12 3333 1 1 10 ALA HB3 H 1.504 -1.551 2.857 1.00 . A A . 10 ALA HB3 1 1 12 3334 1 1 10 ALA N N 2.139 0.316 0.980 1.00 . A A . 10 ALA N 1 1 12 3335 1 1 10 ALA O O 5.143 -1.499 0.770 1.00 . A A . 10 ALA O 1 1 12 3336 1 1 11 PHE C C 5.310 -0.745 -2.303 1.00 . A A . 11 PHE C 1 1 12 3337 1 1 11 PHE CA C 4.421 -1.889 -1.801 1.00 . A A . 11 PHE CA 1 1 12 3338 1 1 11 PHE CB C 3.476 -2.342 -2.920 1.00 . A A . 11 PHE CB 1 1 12 3339 1 1 11 PHE CD1 C 2.569 -3.992 -1.218 1.00 . A A . 11 PHE CD1 1 1 12 3340 1 1 11 PHE CD2 C 1.144 -3.286 -3.048 1.00 . A A . 11 PHE CD2 1 1 12 3341 1 1 11 PHE CE1 C 1.538 -4.806 -0.731 1.00 . A A . 11 PHE CE1 1 1 12 3342 1 1 11 PHE CE2 C 0.115 -4.099 -2.562 1.00 . A A . 11 PHE CE2 1 1 12 3343 1 1 11 PHE CG C 2.372 -3.230 -2.378 1.00 . A A . 11 PHE CG 1 1 12 3344 1 1 11 PHE CZ C 0.312 -4.860 -1.403 1.00 . A A . 11 PHE CZ 1 1 12 3345 1 1 11 PHE H H 2.592 -1.197 -0.919 1.00 . A A . 11 PHE H 1 1 12 3346 1 1 11 PHE HA H 5.018 -2.719 -1.462 1.00 . A A . 11 PHE HA 1 1 12 3347 1 1 11 PHE HB2 H 3.031 -1.470 -3.378 1.00 . A A . 11 PHE HB2 1 1 12 3348 1 1 11 PHE HB3 H 4.039 -2.885 -3.661 1.00 . A A . 11 PHE HB3 1 1 12 3349 1 1 11 PHE HD1 H 3.515 -3.951 -0.699 1.00 . A A . 11 PHE HD1 1 1 12 3350 1 1 11 PHE HD2 H 0.991 -2.700 -3.942 1.00 . A A . 11 PHE HD2 1 1 12 3351 1 1 11 PHE HE1 H 1.688 -5.392 0.163 1.00 . A A . 11 PHE HE1 1 1 12 3352 1 1 11 PHE HE2 H -0.831 -4.140 -3.081 1.00 . A A . 11 PHE HE2 1 1 12 3353 1 1 11 PHE HZ H -0.483 -5.487 -1.028 1.00 . A A . 11 PHE HZ 1 1 12 3354 1 1 11 PHE N N 3.527 -1.404 -0.717 1.00 . A A . 11 PHE N 1 1 12 3355 1 1 11 PHE O O 6.283 -0.964 -2.997 1.00 . A A . 11 PHE O 1 1 12 3356 1 1 12 GLU C C 6.767 2.088 -1.348 1.00 . A A . 12 GLU C 1 1 12 3357 1 1 12 GLU CA C 5.789 1.632 -2.436 1.00 . A A . 12 GLU CA 1 1 12 3358 1 1 12 GLU CB C 4.769 2.734 -2.734 1.00 . A A . 12 GLU CB 1 1 12 3359 1 1 12 GLU CD C 3.781 4.046 -4.617 1.00 . A A . 12 GLU CD 1 1 12 3360 1 1 12 GLU CG C 5.030 3.311 -4.127 1.00 . A A . 12 GLU CG 1 1 12 3361 1 1 12 GLU H H 4.179 0.628 -1.414 1.00 . A A . 12 GLU H 1 1 12 3362 1 1 12 GLU HA H 6.322 1.373 -3.336 1.00 . A A . 12 GLU HA 1 1 12 3363 1 1 12 GLU HB2 H 3.771 2.322 -2.696 1.00 . A A . 12 GLU HB2 1 1 12 3364 1 1 12 GLU HB3 H 4.861 3.520 -1.999 1.00 . A A . 12 GLU HB3 1 1 12 3365 1 1 12 GLU HG2 H 5.860 4.002 -4.081 1.00 . A A . 12 GLU HG2 1 1 12 3366 1 1 12 GLU HG3 H 5.265 2.510 -4.811 1.00 . A A . 12 GLU HG3 1 1 12 3367 1 1 12 GLU N N 4.974 0.474 -1.965 1.00 . A A . 12 GLU N 1 1 12 3368 1 1 12 GLU O O 7.922 2.354 -1.619 1.00 . A A . 12 GLU O 1 1 12 3369 1 1 12 GLU OE1 O 2.739 3.415 -4.698 1.00 . A A . 12 GLU OE1 1 1 12 3370 1 1 12 GLU OE2 O 3.885 5.228 -4.901 1.00 . A A . 12 GLU OE2 1 1 12 3371 1 1 13 SER C C 7.541 1.513 1.934 1.00 . A A . 13 SER C 1 1 12 3372 1 1 13 SER CA C 7.227 2.653 0.959 1.00 . A A . 13 SER CA 1 1 12 3373 1 1 13 SER CB C 6.470 3.776 1.669 1.00 . A A . 13 SER CB 1 1 12 3374 1 1 13 SER H H 5.385 1.997 0.071 1.00 . A A . 13 SER H 1 1 12 3375 1 1 13 SER HA H 8.130 3.036 0.534 1.00 . A A . 13 SER HA 1 1 12 3376 1 1 13 SER HB2 H 5.630 4.083 1.068 1.00 . A A . 13 SER HB2 1 1 12 3377 1 1 13 SER HB3 H 6.112 3.418 2.626 1.00 . A A . 13 SER HB3 1 1 12 3378 1 1 13 SER HG H 7.934 4.673 2.582 1.00 . A A . 13 SER HG 1 1 12 3379 1 1 13 SER N N 6.317 2.199 -0.127 1.00 . A A . 13 SER N 1 1 12 3380 1 1 13 SER O O 8.498 1.577 2.681 1.00 . A A . 13 SER O 1 1 12 3381 1 1 13 SER OG O 7.340 4.883 1.858 1.00 . A A . 13 SER OG 1 1 12 3382 1 1 14 LEU C C 7.482 -1.888 2.102 1.00 . A A . 14 LEU C 1 1 12 3383 1 1 14 LEU CA C 7.006 -0.651 2.871 1.00 . A A . 14 LEU CA 1 1 12 3384 1 1 14 LEU CB C 5.666 -0.924 3.554 1.00 . A A . 14 LEU CB 1 1 12 3385 1 1 14 LEU CD1 C 6.250 -0.272 5.894 1.00 . A A . 14 LEU CD1 1 1 12 3386 1 1 14 LEU CD2 C 4.652 -2.146 5.482 1.00 . A A . 14 LEU CD2 1 1 12 3387 1 1 14 LEU CG C 5.912 -1.444 4.971 1.00 . A A . 14 LEU CG 1 1 12 3388 1 1 14 LEU H H 5.985 0.446 1.339 1.00 . A A . 14 LEU H 1 1 12 3389 1 1 14 LEU HA H 7.735 -0.361 3.600 1.00 . A A . 14 LEU HA 1 1 12 3390 1 1 14 LEU HB2 H 5.093 -0.008 3.600 1.00 . A A . 14 LEU HB2 1 1 12 3391 1 1 14 LEU HB3 H 5.118 -1.665 2.992 1.00 . A A . 14 LEU HB3 1 1 12 3392 1 1 14 LEU HD11 H 5.338 0.203 6.223 1.00 . A A . 14 LEU HD11 1 1 12 3393 1 1 14 LEU HD12 H 6.857 0.445 5.359 1.00 . A A . 14 LEU HD12 1 1 12 3394 1 1 14 LEU HD13 H 6.797 -0.635 6.752 1.00 . A A . 14 LEU HD13 1 1 12 3395 1 1 14 LEU HD21 H 4.095 -2.540 4.645 1.00 . A A . 14 LEU HD21 1 1 12 3396 1 1 14 LEU HD22 H 4.040 -1.439 6.021 1.00 . A A . 14 LEU HD22 1 1 12 3397 1 1 14 LEU HD23 H 4.932 -2.955 6.140 1.00 . A A . 14 LEU HD23 1 1 12 3398 1 1 14 LEU HG H 6.736 -2.142 4.960 1.00 . A A . 14 LEU HG 1 1 12 3399 1 1 14 LEU N N 6.747 0.479 1.939 1.00 . A A . 14 LEU N 1 1 12 3400 1 1 14 LEU O O 7.259 -3.009 2.515 1.00 . A A . 14 LEU O 1 1 12 3401 1 1 15 LYS C C 9.845 -3.484 0.886 1.00 . A A . 15 LYS C 1 1 12 3402 1 1 15 LYS CA C 8.633 -2.856 0.198 1.00 . A A . 15 LYS CA 1 1 12 3403 1 1 15 LYS CB C 9.029 -2.276 -1.160 1.00 . A A . 15 LYS CB 1 1 12 3404 1 1 15 LYS CD C 10.444 -3.950 -2.361 1.00 . A A . 15 LYS CD 1 1 12 3405 1 1 15 LYS CE C 10.582 -4.633 -3.724 1.00 . A A . 15 LYS CE 1 1 12 3406 1 1 15 LYS CG C 9.030 -3.387 -2.211 1.00 . A A . 15 LYS CG 1 1 12 3407 1 1 15 LYS H H 8.310 -0.779 0.677 1.00 . A A . 15 LYS H 1 1 12 3408 1 1 15 LYS HA H 7.854 -3.585 0.072 1.00 . A A . 15 LYS HA 1 1 12 3409 1 1 15 LYS HB2 H 8.323 -1.509 -1.444 1.00 . A A . 15 LYS HB2 1 1 12 3410 1 1 15 LYS HB3 H 10.018 -1.847 -1.092 1.00 . A A . 15 LYS HB3 1 1 12 3411 1 1 15 LYS HD2 H 11.161 -3.146 -2.285 1.00 . A A . 15 LYS HD2 1 1 12 3412 1 1 15 LYS HD3 H 10.628 -4.672 -1.579 1.00 . A A . 15 LYS HD3 1 1 12 3413 1 1 15 LYS HE2 H 10.143 -4.017 -4.497 1.00 . A A . 15 LYS HE2 1 1 12 3414 1 1 15 LYS HE3 H 11.620 -4.831 -3.942 1.00 . A A . 15 LYS HE3 1 1 12 3415 1 1 15 LYS HG2 H 8.357 -4.175 -1.903 1.00 . A A . 15 LYS HG2 1 1 12 3416 1 1 15 LYS HG3 H 8.703 -2.986 -3.159 1.00 . A A . 15 LYS HG3 1 1 12 3417 1 1 15 LYS HZ1 H 9.820 -6.405 -4.505 1.00 . A A . 15 LYS HZ1 1 1 12 3418 1 1 15 LYS HZ2 H 8.859 -5.717 -3.288 1.00 . A A . 15 LYS HZ2 1 1 12 3419 1 1 15 LYS HZ3 H 10.303 -6.514 -2.880 1.00 . A A . 15 LYS HZ3 1 1 12 3420 1 1 15 LYS N N 8.139 -1.691 0.990 1.00 . A A . 15 LYS N 1 1 12 3421 1 1 15 LYS NZ N 9.835 -5.914 -3.589 1.00 . A A . 15 LYS NZ 1 1 12 3422 1 1 15 LYS O O 9.903 -4.677 1.105 1.00 . A A . 15 LYS O 1 1 12 3423 1 1 16 SER C C 13.049 -2.052 2.033 1.00 . A A . 16 SER C 1 1 12 3424 1 1 16 SER CA C 12.038 -3.188 1.905 1.00 . A A . 16 SER CA 1 1 12 3425 1 1 16 SER CB C 12.586 -4.291 0.996 1.00 . A A . 16 SER CB 1 1 12 3426 1 1 16 SER H H 10.726 -1.720 1.039 1.00 . A A . 16 SER H 1 1 12 3427 1 1 16 SER HA H 11.794 -3.586 2.872 1.00 . A A . 16 SER HA 1 1 12 3428 1 1 16 SER HB2 H 12.176 -4.182 0.006 1.00 . A A . 16 SER HB2 1 1 12 3429 1 1 16 SER HB3 H 13.665 -4.213 0.948 1.00 . A A . 16 SER HB3 1 1 12 3430 1 1 16 SER HG H 12.119 -6.168 0.785 1.00 . A A . 16 SER HG 1 1 12 3431 1 1 16 SER N N 10.809 -2.677 1.227 1.00 . A A . 16 SER N 1 1 12 3432 1 1 16 SER O O 13.849 -2.011 2.949 1.00 . A A . 16 SER O 1 1 12 3433 1 1 16 SER OG O 12.214 -5.559 1.521 1.00 . A A . 16 SER OG 1 1 12 3434 1 1 17 PHE C C 13.564 1.005 2.262 1.00 . A A . 17 PHE C 1 1 12 3435 1 1 17 PHE CA C 13.963 0.020 1.157 1.00 . A A . 17 PHE CA 1 1 12 3436 1 1 17 PHE CB C 13.891 0.702 -0.223 1.00 . A A . 17 PHE CB 1 1 12 3437 1 1 17 PHE CD1 C 11.400 1.126 -0.048 1.00 . A A . 17 PHE CD1 1 1 12 3438 1 1 17 PHE CD2 C 12.274 0.094 -2.061 1.00 . A A . 17 PHE CD2 1 1 12 3439 1 1 17 PHE CE1 C 10.105 1.062 -0.579 1.00 . A A . 17 PHE CE1 1 1 12 3440 1 1 17 PHE CE2 C 10.980 0.028 -2.590 1.00 . A A . 17 PHE CE2 1 1 12 3441 1 1 17 PHE CG C 12.486 0.641 -0.790 1.00 . A A . 17 PHE CG 1 1 12 3442 1 1 17 PHE CZ C 9.896 0.512 -1.849 1.00 . A A . 17 PHE CZ 1 1 12 3443 1 1 17 PHE H H 12.357 -1.202 0.394 1.00 . A A . 17 PHE H 1 1 12 3444 1 1 17 PHE HA H 14.960 -0.341 1.328 1.00 . A A . 17 PHE HA 1 1 12 3445 1 1 17 PHE HB2 H 14.188 1.735 -0.125 1.00 . A A . 17 PHE HB2 1 1 12 3446 1 1 17 PHE HB3 H 14.568 0.203 -0.901 1.00 . A A . 17 PHE HB3 1 1 12 3447 1 1 17 PHE HD1 H 11.558 1.550 0.932 1.00 . A A . 17 PHE HD1 1 1 12 3448 1 1 17 PHE HD2 H 13.109 -0.280 -2.632 1.00 . A A . 17 PHE HD2 1 1 12 3449 1 1 17 PHE HE1 H 9.269 1.434 -0.008 1.00 . A A . 17 PHE HE1 1 1 12 3450 1 1 17 PHE HE2 H 10.818 -0.395 -3.570 1.00 . A A . 17 PHE HE2 1 1 12 3451 1 1 17 PHE HZ H 8.898 0.461 -2.258 1.00 . A A . 17 PHE HZ 1 1 12 3452 1 1 17 PHE N N 13.012 -1.132 1.114 1.00 . A A . 17 PHE N 1 1 12 3453 1 1 17 PHE O O 13.349 2.174 2.008 1.00 . A A . 17 PHE O 1 1 12 3454 1 1 18 NH2 HN1 H 13.210 1.203 4.206 1.00 . A A . 18 NH2 HN1 1 1 12 3455 1 1 18 NH2 HN2 H 13.632 -0.361 3.702 1.00 . A A . 18 NH2 HN2 1 1 12 3456 1 1 18 NH2 N N 13.460 0.580 3.492 1.00 . A A . 18 NH2 N 1 1 13 3457 1 1 1 MET C C -11.404 -2.220 4.603 1.00 . A A . 1 MET C 1 1 13 3458 1 1 1 MET CA C -11.645 -3.163 5.786 1.00 . A A . 1 MET CA 1 1 13 3459 1 1 1 MET CB C -12.951 -2.809 6.498 1.00 . A A . 1 MET CB 1 1 13 3460 1 1 1 MET CE C -15.373 -3.553 3.338 1.00 . A A . 1 MET CE 1 1 13 3461 1 1 1 MET CG C -14.128 -3.436 5.747 1.00 . A A . 1 MET CG 1 1 13 3462 1 1 1 MET H1 H -9.658 -3.233 6.410 1.00 . A A . 1 MET H1 1 1 13 3463 1 1 1 MET H2 H -10.782 -3.588 7.633 1.00 . A A . 1 MET H2 1 1 13 3464 1 1 1 MET H3 H -10.561 -1.984 7.119 1.00 . A A . 1 MET H3 1 1 13 3465 1 1 1 MET HA H -11.673 -4.188 5.452 1.00 . A A . 1 MET HA 1 1 13 3466 1 1 1 MET HB2 H -12.924 -3.189 7.509 1.00 . A A . 1 MET HB2 1 1 13 3467 1 1 1 MET HB3 H -13.071 -1.736 6.519 1.00 . A A . 1 MET HB3 1 1 13 3468 1 1 1 MET HE1 H -15.308 -4.526 3.805 1.00 . A A . 1 MET HE1 1 1 13 3469 1 1 1 MET HE2 H -14.813 -3.553 2.412 1.00 . A A . 1 MET HE2 1 1 13 3470 1 1 1 MET HE3 H -16.406 -3.326 3.129 1.00 . A A . 1 MET HE3 1 1 13 3471 1 1 1 MET HG2 H -13.813 -4.367 5.299 1.00 . A A . 1 MET HG2 1 1 13 3472 1 1 1 MET HG3 H -14.937 -3.625 6.439 1.00 . A A . 1 MET HG3 1 1 13 3473 1 1 1 MET N N -10.581 -2.978 6.815 1.00 . A A . 1 MET N 1 1 13 3474 1 1 1 MET O O -11.218 -2.652 3.482 1.00 . A A . 1 MET O 1 1 13 3475 1 1 1 MET SD S -14.691 -2.303 4.454 1.00 . A A . 1 MET SD 1 1 13 3476 1 1 2 ALA C C -9.741 0.560 3.780 1.00 . A A . 2 ALA C 1 1 13 3477 1 1 2 ALA CA C -11.180 0.035 3.736 1.00 . A A . 2 ALA CA 1 1 13 3478 1 1 2 ALA CB C -12.173 1.169 3.992 1.00 . A A . 2 ALA CB 1 1 13 3479 1 1 2 ALA H H -11.561 -0.611 5.757 1.00 . A A . 2 ALA H 1 1 13 3480 1 1 2 ALA HA H -11.386 -0.426 2.783 1.00 . A A . 2 ALA HA 1 1 13 3481 1 1 2 ALA HB1 H -11.829 1.769 4.822 1.00 . A A . 2 ALA HB1 1 1 13 3482 1 1 2 ALA HB2 H -13.142 0.753 4.226 1.00 . A A . 2 ALA HB2 1 1 13 3483 1 1 2 ALA HB3 H -12.250 1.787 3.110 1.00 . A A . 2 ALA HB3 1 1 13 3484 1 1 2 ALA N N -11.409 -0.936 4.845 1.00 . A A . 2 ALA N 1 1 13 3485 1 1 2 ALA O O -9.505 1.752 3.758 1.00 . A A . 2 ALA O 1 1 13 3486 1 1 3 THR C C -6.673 -0.149 2.546 1.00 . A A . 3 THR C 1 1 13 3487 1 1 3 THR CA C -7.356 0.121 3.886 1.00 . A A . 3 THR CA 1 1 13 3488 1 1 3 THR CB C -6.714 -0.715 4.994 1.00 . A A . 3 THR CB 1 1 13 3489 1 1 3 THR CG2 C -7.128 -0.161 6.359 1.00 . A A . 3 THR CG2 1 1 13 3490 1 1 3 THR H H -8.995 -1.280 3.857 1.00 . A A . 3 THR H 1 1 13 3491 1 1 3 THR HA H -7.294 1.169 4.131 1.00 . A A . 3 THR HA 1 1 13 3492 1 1 3 THR HB H -5.640 -0.671 4.902 1.00 . A A . 3 THR HB 1 1 13 3493 1 1 3 THR HG1 H -6.827 -2.545 5.643 1.00 . A A . 3 THR HG1 1 1 13 3494 1 1 3 THR HG21 H -6.508 0.690 6.604 1.00 . A A . 3 THR HG21 1 1 13 3495 1 1 3 THR HG22 H -7.002 -0.926 7.111 1.00 . A A . 3 THR HG22 1 1 13 3496 1 1 3 THR HG23 H -8.162 0.146 6.325 1.00 . A A . 3 THR HG23 1 1 13 3497 1 1 3 THR N N -8.780 -0.323 3.840 1.00 . A A . 3 THR N 1 1 13 3498 1 1 3 THR O O -5.566 -0.649 2.492 1.00 . A A . 3 THR O 1 1 13 3499 1 1 3 THR OG1 O -7.147 -2.063 4.877 1.00 . A A . 3 THR OG1 1 1 13 3500 1 1 4 LEU C C -5.411 0.728 -0.008 1.00 . A A . 4 LEU C 1 1 13 3501 1 1 4 LEU CA C -6.715 -0.056 0.128 1.00 . A A . 4 LEU CA 1 1 13 3502 1 1 4 LEU CB C -7.761 0.421 -0.884 1.00 . A A . 4 LEU CB 1 1 13 3503 1 1 4 LEU CD1 C -7.389 2.816 -1.512 1.00 . A A . 4 LEU CD1 1 1 13 3504 1 1 4 LEU CD2 C -9.673 2.031 -0.885 1.00 . A A . 4 LEU CD2 1 1 13 3505 1 1 4 LEU CG C -8.177 1.871 -0.602 1.00 . A A . 4 LEU CG 1 1 13 3506 1 1 4 LEU H H -8.213 0.579 1.525 1.00 . A A . 4 LEU H 1 1 13 3507 1 1 4 LEU HA H -6.527 -1.108 -0.009 1.00 . A A . 4 LEU HA 1 1 13 3508 1 1 4 LEU HB2 H -7.347 0.360 -1.875 1.00 . A A . 4 LEU HB2 1 1 13 3509 1 1 4 LEU HB3 H -8.630 -0.213 -0.814 1.00 . A A . 4 LEU HB3 1 1 13 3510 1 1 4 LEU HD11 H -6.430 2.378 -1.743 1.00 . A A . 4 LEU HD11 1 1 13 3511 1 1 4 LEU HD12 H -7.242 3.760 -1.008 1.00 . A A . 4 LEU HD12 1 1 13 3512 1 1 4 LEU HD13 H -7.941 2.979 -2.426 1.00 . A A . 4 LEU HD13 1 1 13 3513 1 1 4 LEU HD21 H -9.975 1.320 -1.639 1.00 . A A . 4 LEU HD21 1 1 13 3514 1 1 4 LEU HD22 H -9.867 3.034 -1.237 1.00 . A A . 4 LEU HD22 1 1 13 3515 1 1 4 LEU HD23 H -10.231 1.853 0.022 1.00 . A A . 4 LEU HD23 1 1 13 3516 1 1 4 LEU HG H -7.978 2.113 0.430 1.00 . A A . 4 LEU HG 1 1 13 3517 1 1 4 LEU N N -7.324 0.179 1.463 1.00 . A A . 4 LEU N 1 1 13 3518 1 1 4 LEU O O -4.396 0.191 -0.403 1.00 . A A . 4 LEU O 1 1 13 3519 1 1 5 GLU C C -3.130 2.197 1.174 1.00 . A A . 5 GLU C 1 1 13 3520 1 1 5 GLU CA C -4.168 2.785 0.228 1.00 . A A . 5 GLU CA 1 1 13 3521 1 1 5 GLU CB C -4.550 4.209 0.639 1.00 . A A . 5 GLU CB 1 1 13 3522 1 1 5 GLU CD C -4.804 6.426 -0.486 1.00 . A A . 5 GLU CD 1 1 13 3523 1 1 5 GLU CG C -3.892 5.210 -0.312 1.00 . A A . 5 GLU CG 1 1 13 3524 1 1 5 GLU H H -6.241 2.399 0.654 1.00 . A A . 5 GLU H 1 1 13 3525 1 1 5 GLU HA H -3.798 2.768 -0.780 1.00 . A A . 5 GLU HA 1 1 13 3526 1 1 5 GLU HB2 H -5.623 4.320 0.594 1.00 . A A . 5 GLU HB2 1 1 13 3527 1 1 5 GLU HB3 H -4.210 4.396 1.647 1.00 . A A . 5 GLU HB3 1 1 13 3528 1 1 5 GLU HG2 H -2.943 5.526 0.097 1.00 . A A . 5 GLU HG2 1 1 13 3529 1 1 5 GLU HG3 H -3.732 4.743 -1.272 1.00 . A A . 5 GLU HG3 1 1 13 3530 1 1 5 GLU N N -5.420 1.986 0.329 1.00 . A A . 5 GLU N 1 1 13 3531 1 1 5 GLU O O -1.953 2.151 0.873 1.00 . A A . 5 GLU O 1 1 13 3532 1 1 5 GLU OE1 O -4.750 7.307 0.356 1.00 . A A . 5 GLU OE1 1 1 13 3533 1 1 5 GLU OE2 O -5.542 6.455 -1.457 1.00 . A A . 5 GLU OE2 1 1 13 3534 1 1 6 LYS C C -2.034 -0.177 2.609 1.00 . A A . 6 LYS C 1 1 13 3535 1 1 6 LYS CA C -2.614 1.087 3.251 1.00 . A A . 6 LYS CA 1 1 13 3536 1 1 6 LYS CB C -3.448 0.735 4.486 1.00 . A A . 6 LYS CB 1 1 13 3537 1 1 6 LYS CD C -2.613 -0.086 6.698 1.00 . A A . 6 LYS CD 1 1 13 3538 1 1 6 LYS CE C -4.012 -0.390 7.236 1.00 . A A . 6 LYS CE 1 1 13 3539 1 1 6 LYS CG C -2.678 1.117 5.754 1.00 . A A . 6 LYS CG 1 1 13 3540 1 1 6 LYS H H -4.519 1.737 2.511 1.00 . A A . 6 LYS H 1 1 13 3541 1 1 6 LYS HA H -1.831 1.778 3.511 1.00 . A A . 6 LYS HA 1 1 13 3542 1 1 6 LYS HB2 H -4.381 1.279 4.454 1.00 . A A . 6 LYS HB2 1 1 13 3543 1 1 6 LYS HB3 H -3.650 -0.325 4.493 1.00 . A A . 6 LYS HB3 1 1 13 3544 1 1 6 LYS HD2 H -2.238 -0.944 6.160 1.00 . A A . 6 LYS HD2 1 1 13 3545 1 1 6 LYS HD3 H -1.953 0.138 7.522 1.00 . A A . 6 LYS HD3 1 1 13 3546 1 1 6 LYS HE2 H -4.541 0.530 7.445 1.00 . A A . 6 LYS HE2 1 1 13 3547 1 1 6 LYS HE3 H -4.565 -0.991 6.531 1.00 . A A . 6 LYS HE3 1 1 13 3548 1 1 6 LYS HG2 H -1.676 1.423 5.490 1.00 . A A . 6 LYS HG2 1 1 13 3549 1 1 6 LYS HG3 H -3.184 1.933 6.250 1.00 . A A . 6 LYS HG3 1 1 13 3550 1 1 6 LYS HZ1 H -4.686 -1.538 8.837 1.00 . A A . 6 LYS HZ1 1 1 13 3551 1 1 6 LYS HZ2 H -3.374 -0.531 9.212 1.00 . A A . 6 LYS HZ2 1 1 13 3552 1 1 6 LYS HZ3 H -3.127 -1.943 8.301 1.00 . A A . 6 LYS HZ3 1 1 13 3553 1 1 6 LYS N N -3.566 1.712 2.303 1.00 . A A . 6 LYS N 1 1 13 3554 1 1 6 LYS NZ N -3.782 -1.158 8.491 1.00 . A A . 6 LYS NZ 1 1 13 3555 1 1 6 LYS O O -1.053 -0.726 3.072 1.00 . A A . 6 LYS O 1 1 13 3556 1 1 7 LEU C C -1.244 -1.458 -0.329 1.00 . A A . 7 LEU C 1 1 13 3557 1 1 7 LEU CA C -2.127 -1.858 0.862 1.00 . A A . 7 LEU CA 1 1 13 3558 1 1 7 LEU CB C -3.393 -2.621 0.422 1.00 . A A . 7 LEU CB 1 1 13 3559 1 1 7 LEU CD1 C -2.827 -3.468 -1.867 1.00 . A A . 7 LEU CD1 1 1 13 3560 1 1 7 LEU CD2 C -5.144 -2.662 -1.368 1.00 . A A . 7 LEU CD2 1 1 13 3561 1 1 7 LEU CG C -3.653 -2.446 -1.080 1.00 . A A . 7 LEU CG 1 1 13 3562 1 1 7 LEU H H -3.425 -0.184 1.177 1.00 . A A . 7 LEU H 1 1 13 3563 1 1 7 LEU HA H -1.567 -2.451 1.558 1.00 . A A . 7 LEU HA 1 1 13 3564 1 1 7 LEU HB2 H -3.267 -3.671 0.640 1.00 . A A . 7 LEU HB2 1 1 13 3565 1 1 7 LEU HB3 H -4.242 -2.244 0.975 1.00 . A A . 7 LEU HB3 1 1 13 3566 1 1 7 LEU HD11 H -2.200 -4.026 -1.188 1.00 . A A . 7 LEU HD11 1 1 13 3567 1 1 7 LEU HD12 H -2.208 -2.951 -2.586 1.00 . A A . 7 LEU HD12 1 1 13 3568 1 1 7 LEU HD13 H -3.489 -4.146 -2.386 1.00 . A A . 7 LEU HD13 1 1 13 3569 1 1 7 LEU HD21 H -5.257 -3.370 -2.176 1.00 . A A . 7 LEU HD21 1 1 13 3570 1 1 7 LEU HD22 H -5.595 -1.722 -1.649 1.00 . A A . 7 LEU HD22 1 1 13 3571 1 1 7 LEU HD23 H -5.632 -3.045 -0.484 1.00 . A A . 7 LEU HD23 1 1 13 3572 1 1 7 LEU HG H -3.370 -1.449 -1.378 1.00 . A A . 7 LEU HG 1 1 13 3573 1 1 7 LEU N N -2.638 -0.640 1.538 1.00 . A A . 7 LEU N 1 1 13 3574 1 1 7 LEU O O -0.383 -2.202 -0.755 1.00 . A A . 7 LEU O 1 1 13 3575 1 1 8 MET C C 0.623 0.874 -1.511 1.00 . A A . 8 MET C 1 1 13 3576 1 1 8 MET CA C -0.641 0.180 -2.017 1.00 . A A . 8 MET CA 1 1 13 3577 1 1 8 MET CB C -1.539 1.168 -2.765 1.00 . A A . 8 MET CB 1 1 13 3578 1 1 8 MET CE C -2.193 2.483 -6.376 1.00 . A A . 8 MET CE 1 1 13 3579 1 1 8 MET CG C -1.365 0.977 -4.273 1.00 . A A . 8 MET CG 1 1 13 3580 1 1 8 MET H H -2.151 0.297 -0.501 1.00 . A A . 8 MET H 1 1 13 3581 1 1 8 MET HA H -0.394 -0.649 -2.651 1.00 . A A . 8 MET HA 1 1 13 3582 1 1 8 MET HB2 H -2.571 0.992 -2.494 1.00 . A A . 8 MET HB2 1 1 13 3583 1 1 8 MET HB3 H -1.264 2.177 -2.497 1.00 . A A . 8 MET HB3 1 1 13 3584 1 1 8 MET HE1 H -1.473 1.926 -6.960 1.00 . A A . 8 MET HE1 1 1 13 3585 1 1 8 MET HE2 H -1.706 3.319 -5.895 1.00 . A A . 8 MET HE2 1 1 13 3586 1 1 8 MET HE3 H -2.973 2.848 -7.025 1.00 . A A . 8 MET HE3 1 1 13 3587 1 1 8 MET HG2 H -0.574 1.620 -4.628 1.00 . A A . 8 MET HG2 1 1 13 3588 1 1 8 MET HG3 H -1.114 -0.053 -4.479 1.00 . A A . 8 MET HG3 1 1 13 3589 1 1 8 MET N N -1.456 -0.282 -0.862 1.00 . A A . 8 MET N 1 1 13 3590 1 1 8 MET O O 1.728 0.491 -1.841 1.00 . A A . 8 MET O 1 1 13 3591 1 1 8 MET SD S -2.911 1.399 -5.117 1.00 . A A . 8 MET SD 1 1 13 3592 1 1 9 LYS C C 2.612 1.607 0.497 1.00 . A A . 9 LYS C 1 1 13 3593 1 1 9 LYS CA C 1.653 2.610 -0.157 1.00 . A A . 9 LYS CA 1 1 13 3594 1 1 9 LYS CB C 1.070 3.590 0.875 1.00 . A A . 9 LYS CB 1 1 13 3595 1 1 9 LYS CD C 1.895 2.845 3.117 1.00 . A A . 9 LYS CD 1 1 13 3596 1 1 9 LYS CE C 1.613 3.578 4.432 1.00 . A A . 9 LYS CE 1 1 13 3597 1 1 9 LYS CG C 2.086 3.865 1.990 1.00 . A A . 9 LYS CG 1 1 13 3598 1 1 9 LYS H H -0.439 2.174 -0.449 1.00 . A A . 9 LYS H 1 1 13 3599 1 1 9 LYS HA H 2.157 3.154 -0.940 1.00 . A A . 9 LYS HA 1 1 13 3600 1 1 9 LYS HB2 H 0.821 4.518 0.384 1.00 . A A . 9 LYS HB2 1 1 13 3601 1 1 9 LYS HB3 H 0.177 3.163 1.306 1.00 . A A . 9 LYS HB3 1 1 13 3602 1 1 9 LYS HD2 H 1.062 2.196 2.880 1.00 . A A . 9 LYS HD2 1 1 13 3603 1 1 9 LYS HD3 H 2.792 2.254 3.224 1.00 . A A . 9 LYS HD3 1 1 13 3604 1 1 9 LYS HE2 H 1.975 4.595 4.379 1.00 . A A . 9 LYS HE2 1 1 13 3605 1 1 9 LYS HE3 H 0.557 3.563 4.653 1.00 . A A . 9 LYS HE3 1 1 13 3606 1 1 9 LYS HG2 H 3.088 3.781 1.592 1.00 . A A . 9 LYS HG2 1 1 13 3607 1 1 9 LYS HG3 H 1.935 4.861 2.376 1.00 . A A . 9 LYS HG3 1 1 13 3608 1 1 9 LYS HZ1 H 3.381 2.893 5.290 1.00 . A A . 9 LYS HZ1 1 1 13 3609 1 1 9 LYS HZ2 H 2.084 1.811 5.426 1.00 . A A . 9 LYS HZ2 1 1 13 3610 1 1 9 LYS HZ3 H 2.140 3.195 6.409 1.00 . A A . 9 LYS HZ3 1 1 13 3611 1 1 9 LYS N N 0.464 1.890 -0.703 1.00 . A A . 9 LYS N 1 1 13 3612 1 1 9 LYS NZ N 2.361 2.811 5.468 1.00 . A A . 9 LYS NZ 1 1 13 3613 1 1 9 LYS O O 3.800 1.841 0.590 1.00 . A A . 9 LYS O 1 1 13 3614 1 1 10 ALA C C 3.918 -1.137 0.549 1.00 . A A . 10 ALA C 1 1 13 3615 1 1 10 ALA CA C 2.975 -0.526 1.588 1.00 . A A . 10 ALA CA 1 1 13 3616 1 1 10 ALA CB C 2.018 -1.587 2.130 1.00 . A A . 10 ALA CB 1 1 13 3617 1 1 10 ALA H H 1.141 0.325 0.860 1.00 . A A . 10 ALA H 1 1 13 3618 1 1 10 ALA HA H 3.532 -0.084 2.395 1.00 . A A . 10 ALA HA 1 1 13 3619 1 1 10 ALA HB1 H 1.925 -2.387 1.410 1.00 . A A . 10 ALA HB1 1 1 13 3620 1 1 10 ALA HB2 H 1.049 -1.143 2.303 1.00 . A A . 10 ALA HB2 1 1 13 3621 1 1 10 ALA HB3 H 2.405 -1.980 3.057 1.00 . A A . 10 ALA HB3 1 1 13 3622 1 1 10 ALA N N 2.100 0.493 0.946 1.00 . A A . 10 ALA N 1 1 13 3623 1 1 10 ALA O O 5.073 -1.398 0.823 1.00 . A A . 10 ALA O 1 1 13 3624 1 1 11 PHE C C 5.285 -0.928 -2.231 1.00 . A A . 11 PHE C 1 1 13 3625 1 1 11 PHE CA C 4.293 -1.967 -1.698 1.00 . A A . 11 PHE CA 1 1 13 3626 1 1 11 PHE CB C 3.322 -2.386 -2.805 1.00 . A A . 11 PHE CB 1 1 13 3627 1 1 11 PHE CD1 C 2.411 -3.981 -1.047 1.00 . A A . 11 PHE CD1 1 1 13 3628 1 1 11 PHE CD2 C 1.043 -3.447 -2.978 1.00 . A A . 11 PHE CD2 1 1 13 3629 1 1 11 PHE CE1 C 1.395 -4.814 -0.561 1.00 . A A . 11 PHE CE1 1 1 13 3630 1 1 11 PHE CE2 C 0.029 -4.280 -2.491 1.00 . A A . 11 PHE CE2 1 1 13 3631 1 1 11 PHE CG C 2.235 -3.295 -2.259 1.00 . A A . 11 PHE CG 1 1 13 3632 1 1 11 PHE CZ C 0.205 -4.963 -1.283 1.00 . A A . 11 PHE CZ 1 1 13 3633 1 1 11 PHE H H 2.498 -1.154 -0.840 1.00 . A A . 11 PHE H 1 1 13 3634 1 1 11 PHE HA H 4.815 -2.828 -1.318 1.00 . A A . 11 PHE HA 1 1 13 3635 1 1 11 PHE HB2 H 2.865 -1.503 -3.225 1.00 . A A . 11 PHE HB2 1 1 13 3636 1 1 11 PHE HB3 H 3.867 -2.907 -3.576 1.00 . A A . 11 PHE HB3 1 1 13 3637 1 1 11 PHE HD1 H 3.328 -3.868 -0.489 1.00 . A A . 11 PHE HD1 1 1 13 3638 1 1 11 PHE HD2 H 0.906 -2.920 -3.911 1.00 . A A . 11 PHE HD2 1 1 13 3639 1 1 11 PHE HE1 H 1.530 -5.340 0.372 1.00 . A A . 11 PHE HE1 1 1 13 3640 1 1 11 PHE HE2 H -0.888 -4.395 -3.048 1.00 . A A . 11 PHE HE2 1 1 13 3641 1 1 11 PHE HZ H -0.577 -5.605 -0.906 1.00 . A A . 11 PHE HZ 1 1 13 3642 1 1 11 PHE N N 3.432 -1.370 -0.640 1.00 . A A . 11 PHE N 1 1 13 3643 1 1 11 PHE O O 6.238 -1.261 -2.911 1.00 . A A . 11 PHE O 1 1 13 3644 1 1 12 GLU C C 6.845 1.937 -1.287 1.00 . A A . 12 GLU C 1 1 13 3645 1 1 12 GLU CA C 5.999 1.382 -2.435 1.00 . A A . 12 GLU CA 1 1 13 3646 1 1 12 GLU CB C 5.090 2.473 -3.007 1.00 . A A . 12 GLU CB 1 1 13 3647 1 1 12 GLU CD C 5.050 4.036 -4.957 1.00 . A A . 12 GLU CD 1 1 13 3648 1 1 12 GLU CG C 5.320 2.597 -4.515 1.00 . A A . 12 GLU CG 1 1 13 3649 1 1 12 GLU H H 4.292 0.575 -1.390 1.00 . A A . 12 GLU H 1 1 13 3650 1 1 12 GLU HA H 6.634 0.986 -3.212 1.00 . A A . 12 GLU HA 1 1 13 3651 1 1 12 GLU HB2 H 4.057 2.216 -2.820 1.00 . A A . 12 GLU HB2 1 1 13 3652 1 1 12 GLU HB3 H 5.315 3.417 -2.533 1.00 . A A . 12 GLU HB3 1 1 13 3653 1 1 12 GLU HG2 H 6.343 2.334 -4.745 1.00 . A A . 12 GLU HG2 1 1 13 3654 1 1 12 GLU HG3 H 4.651 1.931 -5.037 1.00 . A A . 12 GLU HG3 1 1 13 3655 1 1 12 GLU N N 5.069 0.326 -1.935 1.00 . A A . 12 GLU N 1 1 13 3656 1 1 12 GLU O O 8.033 2.146 -1.427 1.00 . A A . 12 GLU O 1 1 13 3657 1 1 12 GLU OE1 O 5.396 4.939 -4.212 1.00 . A A . 12 GLU OE1 1 1 13 3658 1 1 12 GLU OE2 O 4.501 4.212 -6.032 1.00 . A A . 12 GLU OE2 1 1 13 3659 1 1 13 SER C C 7.562 1.604 1.857 1.00 . A A . 13 SER C 1 1 13 3660 1 1 13 SER CA C 7.003 2.735 0.995 1.00 . A A . 13 SER CA 1 1 13 3661 1 1 13 SER CB C 5.992 3.565 1.785 1.00 . A A . 13 SER CB 1 1 13 3662 1 1 13 SER H H 5.282 2.019 -0.071 1.00 . A A . 13 SER H 1 1 13 3663 1 1 13 SER HA H 7.795 3.360 0.643 1.00 . A A . 13 SER HA 1 1 13 3664 1 1 13 SER HB2 H 5.316 4.056 1.104 1.00 . A A . 13 SER HB2 1 1 13 3665 1 1 13 SER HB3 H 5.429 2.914 2.441 1.00 . A A . 13 SER HB3 1 1 13 3666 1 1 13 SER HG H 6.031 5.128 2.942 1.00 . A A . 13 SER HG 1 1 13 3667 1 1 13 SER N N 6.239 2.186 -0.158 1.00 . A A . 13 SER N 1 1 13 3668 1 1 13 SER O O 8.605 1.733 2.470 1.00 . A A . 13 SER O 1 1 13 3669 1 1 13 SER OG O 6.683 4.545 2.547 1.00 . A A . 13 SER OG 1 1 13 3670 1 1 14 LEU C C 8.077 -1.665 1.841 1.00 . A A . 14 LEU C 1 1 13 3671 1 1 14 LEU CA C 7.355 -0.645 2.727 1.00 . A A . 14 LEU CA 1 1 13 3672 1 1 14 LEU CB C 6.092 -1.257 3.339 1.00 . A A . 14 LEU CB 1 1 13 3673 1 1 14 LEU CD1 C 7.507 -2.520 4.977 1.00 . A A . 14 LEU CD1 1 1 13 3674 1 1 14 LEU CD2 C 6.618 -0.257 5.576 1.00 . A A . 14 LEU CD2 1 1 13 3675 1 1 14 LEU CG C 6.323 -1.560 4.824 1.00 . A A . 14 LEU CG 1 1 13 3676 1 1 14 LEU H H 6.046 0.425 1.410 1.00 . A A . 14 LEU H 1 1 13 3677 1 1 14 LEU HA H 8.006 -0.294 3.503 1.00 . A A . 14 LEU HA 1 1 13 3678 1 1 14 LEU HB2 H 5.271 -0.561 3.239 1.00 . A A . 14 LEU HB2 1 1 13 3679 1 1 14 LEU HB3 H 5.850 -2.174 2.822 1.00 . A A . 14 LEU HB3 1 1 13 3680 1 1 14 LEU HD11 H 7.357 -3.380 4.341 1.00 . A A . 14 LEU HD11 1 1 13 3681 1 1 14 LEU HD12 H 7.579 -2.841 6.006 1.00 . A A . 14 LEU HD12 1 1 13 3682 1 1 14 LEU HD13 H 8.417 -2.015 4.692 1.00 . A A . 14 LEU HD13 1 1 13 3683 1 1 14 LEU HD21 H 7.478 -0.395 6.215 1.00 . A A . 14 LEU HD21 1 1 13 3684 1 1 14 LEU HD22 H 5.763 0.011 6.179 1.00 . A A . 14 LEU HD22 1 1 13 3685 1 1 14 LEU HD23 H 6.820 0.532 4.867 1.00 . A A . 14 LEU HD23 1 1 13 3686 1 1 14 LEU HG H 5.436 -2.020 5.237 1.00 . A A . 14 LEU HG 1 1 13 3687 1 1 14 LEU N N 6.876 0.499 1.908 1.00 . A A . 14 LEU N 1 1 13 3688 1 1 14 LEU O O 7.831 -2.852 1.918 1.00 . A A . 14 LEU O 1 1 13 3689 1 1 15 LYS C C 10.894 -2.759 0.835 1.00 . A A . 15 LYS C 1 1 13 3690 1 1 15 LYS CA C 9.701 -2.145 0.102 1.00 . A A . 15 LYS CA 1 1 13 3691 1 1 15 LYS CB C 10.179 -1.282 -1.066 1.00 . A A . 15 LYS CB 1 1 13 3692 1 1 15 LYS CD C 10.157 -1.220 -3.563 1.00 . A A . 15 LYS CD 1 1 13 3693 1 1 15 LYS CE C 10.030 -2.071 -4.831 1.00 . A A . 15 LYS CE 1 1 13 3694 1 1 15 LYS CG C 10.241 -2.132 -2.337 1.00 . A A . 15 LYS CG 1 1 13 3695 1 1 15 LYS H H 9.142 -0.244 0.952 1.00 . A A . 15 LYS H 1 1 13 3696 1 1 15 LYS HA H 9.046 -2.915 -0.257 1.00 . A A . 15 LYS HA 1 1 13 3697 1 1 15 LYS HB2 H 9.491 -0.462 -1.213 1.00 . A A . 15 LYS HB2 1 1 13 3698 1 1 15 LYS HB3 H 11.162 -0.893 -0.848 1.00 . A A . 15 LYS HB3 1 1 13 3699 1 1 15 LYS HD2 H 9.294 -0.575 -3.474 1.00 . A A . 15 LYS HD2 1 1 13 3700 1 1 15 LYS HD3 H 11.051 -0.616 -3.626 1.00 . A A . 15 LYS HD3 1 1 13 3701 1 1 15 LYS HE2 H 9.970 -3.121 -4.574 1.00 . A A . 15 LYS HE2 1 1 13 3702 1 1 15 LYS HE3 H 9.163 -1.772 -5.400 1.00 . A A . 15 LYS HE3 1 1 13 3703 1 1 15 LYS HG2 H 11.172 -2.681 -2.358 1.00 . A A . 15 LYS HG2 1 1 13 3704 1 1 15 LYS HG3 H 9.414 -2.824 -2.349 1.00 . A A . 15 LYS HG3 1 1 13 3705 1 1 15 LYS HZ1 H 11.255 -0.815 -5.951 1.00 . A A . 15 LYS HZ1 1 1 13 3706 1 1 15 LYS HZ2 H 11.324 -2.444 -6.419 1.00 . A A . 15 LYS HZ2 1 1 13 3707 1 1 15 LYS HZ3 H 12.101 -1.937 -4.996 1.00 . A A . 15 LYS HZ3 1 1 13 3708 1 1 15 LYS N N 8.963 -1.207 0.997 1.00 . A A . 15 LYS N 1 1 13 3709 1 1 15 LYS NZ N 11.271 -1.796 -5.608 1.00 . A A . 15 LYS NZ 1 1 13 3710 1 1 15 LYS O O 11.021 -3.963 0.940 1.00 . A A . 15 LYS O 1 1 13 3711 1 1 16 SER C C 13.905 -1.292 2.453 1.00 . A A . 16 SER C 1 1 13 3712 1 1 16 SER CA C 12.972 -2.448 2.070 1.00 . A A . 16 SER CA 1 1 13 3713 1 1 16 SER CB C 13.675 -3.383 1.083 1.00 . A A . 16 SER CB 1 1 13 3714 1 1 16 SER H H 11.639 -0.973 1.240 1.00 . A A . 16 SER H 1 1 13 3715 1 1 16 SER HA H 12.672 -2.996 2.946 1.00 . A A . 16 SER HA 1 1 13 3716 1 1 16 SER HB2 H 13.288 -3.217 0.091 1.00 . A A . 16 SER HB2 1 1 13 3717 1 1 16 SER HB3 H 14.739 -3.177 1.090 1.00 . A A . 16 SER HB3 1 1 13 3718 1 1 16 SER HG H 14.257 -5.219 1.355 1.00 . A A . 16 SER HG 1 1 13 3719 1 1 16 SER N N 11.771 -1.934 1.341 1.00 . A A . 16 SER N 1 1 13 3720 1 1 16 SER O O 14.837 -1.466 3.213 1.00 . A A . 16 SER O 1 1 13 3721 1 1 16 SER OG O 13.436 -4.732 1.461 1.00 . A A . 16 SER OG 1 1 13 3722 1 1 17 PHE C C 14.942 1.074 3.709 1.00 . A A . 17 PHE C 1 1 13 3723 1 1 17 PHE CA C 14.532 1.067 2.230 1.00 . A A . 17 PHE CA 1 1 13 3724 1 1 17 PHE CB C 13.683 2.313 1.923 1.00 . A A . 17 PHE CB 1 1 13 3725 1 1 17 PHE CD1 C 13.226 1.950 -0.534 1.00 . A A . 17 PHE CD1 1 1 13 3726 1 1 17 PHE CD2 C 11.365 1.911 1.019 1.00 . A A . 17 PHE CD2 1 1 13 3727 1 1 17 PHE CE1 C 12.345 1.705 -1.595 1.00 . A A . 17 PHE CE1 1 1 13 3728 1 1 17 PHE CE2 C 10.485 1.665 -0.041 1.00 . A A . 17 PHE CE2 1 1 13 3729 1 1 17 PHE CG C 12.735 2.054 0.772 1.00 . A A . 17 PHE CG 1 1 13 3730 1 1 17 PHE CZ C 10.975 1.562 -1.348 1.00 . A A . 17 PHE CZ 1 1 13 3731 1 1 17 PHE H H 12.914 -0.018 1.304 1.00 . A A . 17 PHE H 1 1 13 3732 1 1 17 PHE HA H 15.409 1.060 1.601 1.00 . A A . 17 PHE HA 1 1 13 3733 1 1 17 PHE HB2 H 13.113 2.580 2.800 1.00 . A A . 17 PHE HB2 1 1 13 3734 1 1 17 PHE HB3 H 14.339 3.129 1.664 1.00 . A A . 17 PHE HB3 1 1 13 3735 1 1 17 PHE HD1 H 14.284 2.060 -0.724 1.00 . A A . 17 PHE HD1 1 1 13 3736 1 1 17 PHE HD2 H 10.985 1.991 2.028 1.00 . A A . 17 PHE HD2 1 1 13 3737 1 1 17 PHE HE1 H 12.723 1.624 -2.603 1.00 . A A . 17 PHE HE1 1 1 13 3738 1 1 17 PHE HE2 H 9.428 1.554 0.151 1.00 . A A . 17 PHE HE2 1 1 13 3739 1 1 17 PHE HZ H 10.296 1.373 -2.166 1.00 . A A . 17 PHE HZ 1 1 13 3740 1 1 17 PHE N N 13.663 -0.118 1.920 1.00 . A A . 17 PHE N 1 1 13 3741 1 1 17 PHE O O 14.137 1.342 4.578 1.00 . A A . 17 PHE O 1 1 13 3742 1 1 18 NH2 HN1 H 16.448 0.787 4.972 1.00 . A A . 18 NH2 HN1 1 1 13 3743 1 1 18 NH2 HN2 H 16.826 0.571 3.331 1.00 . A A . 18 NH2 HN2 1 1 13 3744 1 1 18 NH2 N N 16.174 0.786 4.031 1.00 . A A . 18 NH2 N 1 1 14 3745 1 1 1 MET C C -13.364 0.895 4.917 1.00 . A A . 1 MET C 1 1 14 3746 1 1 1 MET CA C -14.059 1.525 6.126 1.00 . A A . 1 MET CA 1 1 14 3747 1 1 1 MET CB C -15.579 1.417 5.989 1.00 . A A . 1 MET CB 1 1 14 3748 1 1 1 MET CE C -18.174 -1.437 5.623 1.00 . A A . 1 MET CE 1 1 14 3749 1 1 1 MET CG C -16.034 0.026 6.432 1.00 . A A . 1 MET CG 1 1 14 3750 1 1 1 MET H1 H -12.764 3.143 6.338 1.00 . A A . 1 MET H1 1 1 14 3751 1 1 1 MET H2 H -14.323 3.419 6.952 1.00 . A A . 1 MET H2 1 1 14 3752 1 1 1 MET H3 H -14.055 3.427 5.275 1.00 . A A . 1 MET H3 1 1 14 3753 1 1 1 MET HA H -13.737 1.048 7.038 1.00 . A A . 1 MET HA 1 1 14 3754 1 1 1 MET HB2 H -16.049 2.166 6.609 1.00 . A A . 1 MET HB2 1 1 14 3755 1 1 1 MET HB3 H -15.859 1.574 4.958 1.00 . A A . 1 MET HB3 1 1 14 3756 1 1 1 MET HE1 H -19.010 -1.980 6.041 1.00 . A A . 1 MET HE1 1 1 14 3757 1 1 1 MET HE2 H -17.300 -2.072 5.600 1.00 . A A . 1 MET HE2 1 1 14 3758 1 1 1 MET HE3 H -18.416 -1.127 4.619 1.00 . A A . 1 MET HE3 1 1 14 3759 1 1 1 MET HG2 H -15.756 -0.700 5.683 1.00 . A A . 1 MET HG2 1 1 14 3760 1 1 1 MET HG3 H -15.562 -0.225 7.371 1.00 . A A . 1 MET HG3 1 1 14 3761 1 1 1 MET N N -13.779 2.989 6.176 1.00 . A A . 1 MET N 1 1 14 3762 1 1 1 MET O O -13.977 0.201 4.129 1.00 . A A . 1 MET O 1 1 14 3763 1 1 1 MET SD S -17.832 0.019 6.642 1.00 . A A . 1 MET SD 1 1 14 3764 1 1 2 ALA C C -9.843 0.591 3.862 1.00 . A A . 2 ALA C 1 1 14 3765 1 1 2 ALA CA C -11.352 0.546 3.606 1.00 . A A . 2 ALA CA 1 1 14 3766 1 1 2 ALA CB C -11.720 1.431 2.414 1.00 . A A . 2 ALA CB 1 1 14 3767 1 1 2 ALA H H -11.615 1.694 5.411 1.00 . A A . 2 ALA H 1 1 14 3768 1 1 2 ALA HA H -11.675 -0.467 3.426 1.00 . A A . 2 ALA HA 1 1 14 3769 1 1 2 ALA HB1 H -12.494 0.950 1.834 1.00 . A A . 2 ALA HB1 1 1 14 3770 1 1 2 ALA HB2 H -10.848 1.584 1.796 1.00 . A A . 2 ALA HB2 1 1 14 3771 1 1 2 ALA HB3 H -12.079 2.385 2.772 1.00 . A A . 2 ALA HB3 1 1 14 3772 1 1 2 ALA N N -12.088 1.131 4.764 1.00 . A A . 2 ALA N 1 1 14 3773 1 1 2 ALA O O -9.313 1.578 4.335 1.00 . A A . 2 ALA O 1 1 14 3774 1 1 3 THR C C -6.941 -0.745 2.460 1.00 . A A . 3 THR C 1 1 14 3775 1 1 3 THR CA C -7.673 -0.494 3.779 1.00 . A A . 3 THR CA 1 1 14 3776 1 1 3 THR CB C -7.440 -1.650 4.753 1.00 . A A . 3 THR CB 1 1 14 3777 1 1 3 THR CG2 C -6.011 -1.585 5.294 1.00 . A A . 3 THR CG2 1 1 14 3778 1 1 3 THR H H -9.596 -1.256 3.174 1.00 . A A . 3 THR H 1 1 14 3779 1 1 3 THR HA H -7.345 0.432 4.219 1.00 . A A . 3 THR HA 1 1 14 3780 1 1 3 THR HB H -7.583 -2.589 4.239 1.00 . A A . 3 THR HB 1 1 14 3781 1 1 3 THR HG1 H -8.165 -0.750 6.317 1.00 . A A . 3 THR HG1 1 1 14 3782 1 1 3 THR HG21 H -5.708 -2.566 5.630 1.00 . A A . 3 THR HG21 1 1 14 3783 1 1 3 THR HG22 H -5.972 -0.893 6.122 1.00 . A A . 3 THR HG22 1 1 14 3784 1 1 3 THR HG23 H -5.345 -1.250 4.512 1.00 . A A . 3 THR HG23 1 1 14 3785 1 1 3 THR N N -9.148 -0.471 3.554 1.00 . A A . 3 THR N 1 1 14 3786 1 1 3 THR O O -6.016 -1.531 2.391 1.00 . A A . 3 THR O 1 1 14 3787 1 1 3 THR OG1 O -8.362 -1.553 5.829 1.00 . A A . 3 THR OG1 1 1 14 3788 1 1 4 LEU C C -5.403 0.557 0.031 1.00 . A A . 4 LEU C 1 1 14 3789 1 1 4 LEU CA C -6.681 -0.276 0.099 1.00 . A A . 4 LEU CA 1 1 14 3790 1 1 4 LEU CB C -7.697 0.196 -0.945 1.00 . A A . 4 LEU CB 1 1 14 3791 1 1 4 LEU CD1 C -9.602 -0.851 -2.181 1.00 . A A . 4 LEU CD1 1 1 14 3792 1 1 4 LEU CD2 C -7.288 -0.990 -3.107 1.00 . A A . 4 LEU CD2 1 1 14 3793 1 1 4 LEU CG C -8.121 -0.985 -1.823 1.00 . A A . 4 LEU CG 1 1 14 3794 1 1 4 LEU H H -8.093 0.543 1.492 1.00 . A A . 4 LEU H 1 1 14 3795 1 1 4 LEU HA H -6.454 -1.316 -0.047 1.00 . A A . 4 LEU HA 1 1 14 3796 1 1 4 LEU HB2 H -8.565 0.602 -0.445 1.00 . A A . 4 LEU HB2 1 1 14 3797 1 1 4 LEU HB3 H -7.250 0.959 -1.565 1.00 . A A . 4 LEU HB3 1 1 14 3798 1 1 4 LEU HD11 H -10.205 -1.155 -1.338 1.00 . A A . 4 LEU HD11 1 1 14 3799 1 1 4 LEU HD12 H -9.826 -1.481 -3.028 1.00 . A A . 4 LEU HD12 1 1 14 3800 1 1 4 LEU HD13 H -9.821 0.177 -2.428 1.00 . A A . 4 LEU HD13 1 1 14 3801 1 1 4 LEU HD21 H -7.134 -2.008 -3.432 1.00 . A A . 4 LEU HD21 1 1 14 3802 1 1 4 LEU HD22 H -6.332 -0.524 -2.918 1.00 . A A . 4 LEU HD22 1 1 14 3803 1 1 4 LEU HD23 H -7.809 -0.441 -3.876 1.00 . A A . 4 LEU HD23 1 1 14 3804 1 1 4 LEU HG H -7.963 -1.908 -1.285 1.00 . A A . 4 LEU HG 1 1 14 3805 1 1 4 LEU N N -7.350 -0.082 1.413 1.00 . A A . 4 LEU N 1 1 14 3806 1 1 4 LEU O O -4.334 0.043 -0.233 1.00 . A A . 4 LEU O 1 1 14 3807 1 1 5 GLU C C -3.232 2.132 1.199 1.00 . A A . 5 GLU C 1 1 14 3808 1 1 5 GLU CA C -4.267 2.686 0.227 1.00 . A A . 5 GLU CA 1 1 14 3809 1 1 5 GLU CB C -4.719 4.087 0.645 1.00 . A A . 5 GLU CB 1 1 14 3810 1 1 5 GLU CD C -6.348 4.871 -1.080 1.00 . A A . 5 GLU CD 1 1 14 3811 1 1 5 GLU CG C -4.898 4.959 -0.599 1.00 . A A . 5 GLU CG 1 1 14 3812 1 1 5 GLU H H -6.360 2.239 0.491 1.00 . A A . 5 GLU H 1 1 14 3813 1 1 5 GLU HA H -3.865 2.701 -0.769 1.00 . A A . 5 GLU HA 1 1 14 3814 1 1 5 GLU HB2 H -5.657 4.018 1.176 1.00 . A A . 5 GLU HB2 1 1 14 3815 1 1 5 GLU HB3 H -3.972 4.529 1.287 1.00 . A A . 5 GLU HB3 1 1 14 3816 1 1 5 GLU HG2 H -4.660 5.985 -0.356 1.00 . A A . 5 GLU HG2 1 1 14 3817 1 1 5 GLU HG3 H -4.240 4.611 -1.382 1.00 . A A . 5 GLU HG3 1 1 14 3818 1 1 5 GLU N N -5.494 1.839 0.273 1.00 . A A . 5 GLU N 1 1 14 3819 1 1 5 GLU O O -2.048 2.128 0.925 1.00 . A A . 5 GLU O 1 1 14 3820 1 1 5 GLU OE1 O -6.902 3.785 -1.033 1.00 . A A . 5 GLU OE1 1 1 14 3821 1 1 5 GLU OE2 O -6.879 5.891 -1.489 1.00 . A A . 5 GLU OE2 1 1 14 3822 1 1 6 LYS C C -2.070 -0.193 2.661 1.00 . A A . 6 LYS C 1 1 14 3823 1 1 6 LYS CA C -2.723 1.042 3.289 1.00 . A A . 6 LYS CA 1 1 14 3824 1 1 6 LYS CB C -3.572 0.648 4.499 1.00 . A A . 6 LYS CB 1 1 14 3825 1 1 6 LYS CD C -3.825 1.106 6.942 1.00 . A A . 6 LYS CD 1 1 14 3826 1 1 6 LYS CE C -4.388 2.207 7.845 1.00 . A A . 6 LYS CE 1 1 14 3827 1 1 6 LYS CG C -3.425 1.706 5.594 1.00 . A A . 6 LYS CG 1 1 14 3828 1 1 6 LYS H H -4.635 1.625 2.506 1.00 . A A . 6 LYS H 1 1 14 3829 1 1 6 LYS HA H -1.978 1.765 3.574 1.00 . A A . 6 LYS HA 1 1 14 3830 1 1 6 LYS HB2 H -4.609 0.577 4.201 1.00 . A A . 6 LYS HB2 1 1 14 3831 1 1 6 LYS HB3 H -3.239 -0.307 4.876 1.00 . A A . 6 LYS HB3 1 1 14 3832 1 1 6 LYS HD2 H -4.579 0.346 6.788 1.00 . A A . 6 LYS HD2 1 1 14 3833 1 1 6 LYS HD3 H -2.960 0.666 7.412 1.00 . A A . 6 LYS HD3 1 1 14 3834 1 1 6 LYS HE2 H -5.059 2.844 7.284 1.00 . A A . 6 LYS HE2 1 1 14 3835 1 1 6 LYS HE3 H -4.897 1.775 8.693 1.00 . A A . 6 LYS HE3 1 1 14 3836 1 1 6 LYS HG2 H -2.398 2.038 5.637 1.00 . A A . 6 LYS HG2 1 1 14 3837 1 1 6 LYS HG3 H -4.065 2.546 5.371 1.00 . A A . 6 LYS HG3 1 1 14 3838 1 1 6 LYS HZ1 H -2.766 3.461 7.489 1.00 . A A . 6 LYS HZ1 1 1 14 3839 1 1 6 LYS HZ2 H -2.502 2.324 8.719 1.00 . A A . 6 LYS HZ2 1 1 14 3840 1 1 6 LYS HZ3 H -3.489 3.677 9.011 1.00 . A A . 6 LYS HZ3 1 1 14 3841 1 1 6 LYS N N -3.676 1.632 2.317 1.00 . A A . 6 LYS N 1 1 14 3842 1 1 6 LYS NZ N -3.196 2.976 8.301 1.00 . A A . 6 LYS NZ 1 1 14 3843 1 1 6 LYS O O -1.089 -0.711 3.158 1.00 . A A . 6 LYS O 1 1 14 3844 1 1 7 LEU C C -1.167 -1.425 -0.290 1.00 . A A . 7 LEU C 1 1 14 3845 1 1 7 LEU CA C -2.036 -1.862 0.900 1.00 . A A . 7 LEU CA 1 1 14 3846 1 1 7 LEU CB C -3.261 -2.690 0.462 1.00 . A A . 7 LEU CB 1 1 14 3847 1 1 7 LEU CD1 C -2.638 -3.532 -1.813 1.00 . A A . 7 LEU CD1 1 1 14 3848 1 1 7 LEU CD2 C -4.996 -2.845 -1.337 1.00 . A A . 7 LEU CD2 1 1 14 3849 1 1 7 LEU CG C -3.521 -2.546 -1.043 1.00 . A A . 7 LEU CG 1 1 14 3850 1 1 7 LEU H H -3.402 -0.242 1.178 1.00 . A A . 7 LEU H 1 1 14 3851 1 1 7 LEU HA H -1.451 -2.421 1.603 1.00 . A A . 7 LEU HA 1 1 14 3852 1 1 7 LEU HB2 H -3.088 -3.730 0.693 1.00 . A A . 7 LEU HB2 1 1 14 3853 1 1 7 LEU HB3 H -4.131 -2.347 1.004 1.00 . A A . 7 LEU HB3 1 1 14 3854 1 1 7 LEU HD11 H -3.235 -4.367 -2.147 1.00 . A A . 7 LEU HD11 1 1 14 3855 1 1 7 LEU HD12 H -1.851 -3.889 -1.166 1.00 . A A . 7 LEU HD12 1 1 14 3856 1 1 7 LEU HD13 H -2.203 -3.034 -2.666 1.00 . A A . 7 LEU HD13 1 1 14 3857 1 1 7 LEU HD21 H -5.065 -3.593 -2.114 1.00 . A A . 7 LEU HD21 1 1 14 3858 1 1 7 LEU HD22 H -5.487 -1.941 -1.666 1.00 . A A . 7 LEU HD22 1 1 14 3859 1 1 7 LEU HD23 H -5.476 -3.211 -0.442 1.00 . A A . 7 LEU HD23 1 1 14 3860 1 1 7 LEU HG H -3.290 -1.540 -1.353 1.00 . A A . 7 LEU HG 1 1 14 3861 1 1 7 LEU N N -2.614 -0.670 1.564 1.00 . A A . 7 LEU N 1 1 14 3862 1 1 7 LEU O O -0.238 -2.108 -0.677 1.00 . A A . 7 LEU O 1 1 14 3863 1 1 8 MET C C 0.576 0.935 -1.535 1.00 . A A . 8 MET C 1 1 14 3864 1 1 8 MET CA C -0.673 0.200 -2.025 1.00 . A A . 8 MET CA 1 1 14 3865 1 1 8 MET CB C -1.605 1.161 -2.768 1.00 . A A . 8 MET CB 1 1 14 3866 1 1 8 MET CE C -1.515 -0.602 -5.698 1.00 . A A . 8 MET CE 1 1 14 3867 1 1 8 MET CG C -0.984 1.541 -4.118 1.00 . A A . 8 MET CG 1 1 14 3868 1 1 8 MET H H -2.218 0.237 -0.539 1.00 . A A . 8 MET H 1 1 14 3869 1 1 8 MET HA H -0.405 -0.619 -2.665 1.00 . A A . 8 MET HA 1 1 14 3870 1 1 8 MET HB2 H -2.560 0.680 -2.928 1.00 . A A . 8 MET HB2 1 1 14 3871 1 1 8 MET HB3 H -1.746 2.052 -2.176 1.00 . A A . 8 MET HB3 1 1 14 3872 1 1 8 MET HE1 H -2.337 -1.295 -5.577 1.00 . A A . 8 MET HE1 1 1 14 3873 1 1 8 MET HE2 H -0.746 -0.817 -4.970 1.00 . A A . 8 MET HE2 1 1 14 3874 1 1 8 MET HE3 H -1.107 -0.704 -6.691 1.00 . A A . 8 MET HE3 1 1 14 3875 1 1 8 MET HG2 H -0.806 2.606 -4.143 1.00 . A A . 8 MET HG2 1 1 14 3876 1 1 8 MET HG3 H -0.048 1.018 -4.244 1.00 . A A . 8 MET HG3 1 1 14 3877 1 1 8 MET N N -1.467 -0.291 -0.867 1.00 . A A . 8 MET N 1 1 14 3878 1 1 8 MET O O 1.686 0.608 -1.907 1.00 . A A . 8 MET O 1 1 14 3879 1 1 8 MET SD S -2.114 1.088 -5.459 1.00 . A A . 8 MET SD 1 1 14 3880 1 1 9 LYS C C 2.584 1.729 0.468 1.00 . A A . 9 LYS C 1 1 14 3881 1 1 9 LYS CA C 1.578 2.685 -0.176 1.00 . A A . 9 LYS CA 1 1 14 3882 1 1 9 LYS CB C 1.001 3.640 0.870 1.00 . A A . 9 LYS CB 1 1 14 3883 1 1 9 LYS CD C -0.735 5.306 0.176 1.00 . A A . 9 LYS CD 1 1 14 3884 1 1 9 LYS CE C -1.054 6.084 -1.102 1.00 . A A . 9 LYS CE 1 1 14 3885 1 1 9 LYS CG C 0.768 5.017 0.236 1.00 . A A . 9 LYS CG 1 1 14 3886 1 1 9 LYS H H -0.502 2.169 -0.411 1.00 . A A . 9 LYS H 1 1 14 3887 1 1 9 LYS HA H 2.049 3.244 -0.967 1.00 . A A . 9 LYS HA 1 1 14 3888 1 1 9 LYS HB2 H 0.064 3.247 1.238 1.00 . A A . 9 LYS HB2 1 1 14 3889 1 1 9 LYS HB3 H 1.696 3.737 1.689 1.00 . A A . 9 LYS HB3 1 1 14 3890 1 1 9 LYS HD2 H -1.282 4.374 0.177 1.00 . A A . 9 LYS HD2 1 1 14 3891 1 1 9 LYS HD3 H -1.023 5.895 1.034 1.00 . A A . 9 LYS HD3 1 1 14 3892 1 1 9 LYS HE2 H -1.945 6.683 -0.964 1.00 . A A . 9 LYS HE2 1 1 14 3893 1 1 9 LYS HE3 H -0.220 6.709 -1.382 1.00 . A A . 9 LYS HE3 1 1 14 3894 1 1 9 LYS HG2 H 1.256 5.773 0.833 1.00 . A A . 9 LYS HG2 1 1 14 3895 1 1 9 LYS HG3 H 1.175 5.028 -0.764 1.00 . A A . 9 LYS HG3 1 1 14 3896 1 1 9 LYS HZ1 H -1.667 5.484 -2.999 1.00 . A A . 9 LYS HZ1 1 1 14 3897 1 1 9 LYS HZ2 H -1.961 4.338 -1.783 1.00 . A A . 9 LYS HZ2 1 1 14 3898 1 1 9 LYS HZ3 H -0.382 4.572 -2.365 1.00 . A A . 9 LYS HZ3 1 1 14 3899 1 1 9 LYS N N 0.402 1.925 -0.697 1.00 . A A . 9 LYS N 1 1 14 3900 1 1 9 LYS NZ N -1.283 5.041 -2.141 1.00 . A A . 9 LYS NZ 1 1 14 3901 1 1 9 LYS O O 3.750 2.039 0.592 1.00 . A A . 9 LYS O 1 1 14 3902 1 1 10 ALA C C 4.047 -0.952 0.458 1.00 . A A . 10 ALA C 1 1 14 3903 1 1 10 ALA CA C 3.078 -0.401 1.505 1.00 . A A . 10 ALA CA 1 1 14 3904 1 1 10 ALA CB C 2.187 -1.518 2.049 1.00 . A A . 10 ALA CB 1 1 14 3905 1 1 10 ALA H H 1.202 0.338 0.769 1.00 . A A . 10 ALA H 1 1 14 3906 1 1 10 ALA HA H 3.619 0.067 2.309 1.00 . A A . 10 ALA HA 1 1 14 3907 1 1 10 ALA HB1 H 2.009 -2.247 1.272 1.00 . A A . 10 ALA HB1 1 1 14 3908 1 1 10 ALA HB2 H 1.245 -1.101 2.375 1.00 . A A . 10 ALA HB2 1 1 14 3909 1 1 10 ALA HB3 H 2.677 -1.996 2.885 1.00 . A A . 10 ALA HB3 1 1 14 3910 1 1 10 ALA N N 2.145 0.570 0.876 1.00 . A A . 10 ALA N 1 1 14 3911 1 1 10 ALA O O 5.247 -0.913 0.628 1.00 . A A . 10 ALA O 1 1 14 3912 1 1 11 PHE C C 5.421 -0.969 -2.164 1.00 . A A . 11 PHE C 1 1 14 3913 1 1 11 PHE CA C 4.426 -2.027 -1.682 1.00 . A A . 11 PHE CA 1 1 14 3914 1 1 11 PHE CB C 3.482 -2.433 -2.817 1.00 . A A . 11 PHE CB 1 1 14 3915 1 1 11 PHE CD1 C 2.550 -4.071 -1.113 1.00 . A A . 11 PHE CD1 1 1 14 3916 1 1 11 PHE CD2 C 1.192 -3.465 -3.029 1.00 . A A . 11 PHE CD2 1 1 14 3917 1 1 11 PHE CE1 C 1.526 -4.906 -0.652 1.00 . A A . 11 PHE CE1 1 1 14 3918 1 1 11 PHE CE2 C 0.169 -4.301 -2.567 1.00 . A A . 11 PHE CE2 1 1 14 3919 1 1 11 PHE CG C 2.384 -3.348 -2.305 1.00 . A A . 11 PHE CG 1 1 14 3920 1 1 11 PHE CZ C 0.335 -5.021 -1.379 1.00 . A A . 11 PHE CZ 1 1 14 3921 1 1 11 PHE H H 2.565 -1.487 -0.749 1.00 . A A . 11 PHE H 1 1 14 3922 1 1 11 PHE HA H 4.948 -2.889 -1.310 1.00 . A A . 11 PHE HA 1 1 14 3923 1 1 11 PHE HB2 H 3.033 -1.545 -3.236 1.00 . A A . 11 PHE HB2 1 1 14 3924 1 1 11 PHE HB3 H 4.044 -2.944 -3.581 1.00 . A A . 11 PHE HB3 1 1 14 3925 1 1 11 PHE HD1 H 3.468 -3.984 -0.551 1.00 . A A . 11 PHE HD1 1 1 14 3926 1 1 11 PHE HD2 H 1.061 -2.909 -3.946 1.00 . A A . 11 PHE HD2 1 1 14 3927 1 1 11 PHE HE1 H 1.653 -5.460 0.266 1.00 . A A . 11 PHE HE1 1 1 14 3928 1 1 11 PHE HE2 H -0.749 -4.389 -3.128 1.00 . A A . 11 PHE HE2 1 1 14 3929 1 1 11 PHE HZ H -0.454 -5.666 -1.023 1.00 . A A . 11 PHE HZ 1 1 14 3930 1 1 11 PHE N N 3.535 -1.467 -0.626 1.00 . A A . 11 PHE N 1 1 14 3931 1 1 11 PHE O O 6.458 -1.286 -2.714 1.00 . A A . 11 PHE O 1 1 14 3932 1 1 12 GLU C C 6.829 1.908 -1.221 1.00 . A A . 12 GLU C 1 1 14 3933 1 1 12 GLU CA C 6.041 1.360 -2.411 1.00 . A A . 12 GLU CA 1 1 14 3934 1 1 12 GLU CB C 5.127 2.443 -2.984 1.00 . A A . 12 GLU CB 1 1 14 3935 1 1 12 GLU CD C 6.203 3.778 -4.806 1.00 . A A . 12 GLU CD 1 1 14 3936 1 1 12 GLU CG C 5.338 2.554 -4.497 1.00 . A A . 12 GLU CG 1 1 14 3937 1 1 12 GLU H H 4.274 0.515 -1.520 1.00 . A A . 12 GLU H 1 1 14 3938 1 1 12 GLU HA H 6.709 0.995 -3.175 1.00 . A A . 12 GLU HA 1 1 14 3939 1 1 12 GLU HB2 H 4.098 2.186 -2.781 1.00 . A A . 12 GLU HB2 1 1 14 3940 1 1 12 GLU HB3 H 5.358 3.389 -2.518 1.00 . A A . 12 GLU HB3 1 1 14 3941 1 1 12 GLU HG2 H 5.833 1.663 -4.858 1.00 . A A . 12 GLU HG2 1 1 14 3942 1 1 12 GLU HG3 H 4.382 2.659 -4.987 1.00 . A A . 12 GLU HG3 1 1 14 3943 1 1 12 GLU N N 5.115 0.282 -1.964 1.00 . A A . 12 GLU N 1 1 14 3944 1 1 12 GLU O O 8.028 2.090 -1.288 1.00 . A A . 12 GLU O 1 1 14 3945 1 1 12 GLU OE1 O 5.717 4.882 -4.627 1.00 . A A . 12 GLU OE1 1 1 14 3946 1 1 12 GLU OE2 O 7.337 3.591 -5.217 1.00 . A A . 12 GLU OE2 1 1 14 3947 1 1 13 SER C C 7.655 1.650 1.769 1.00 . A A . 13 SER C 1 1 14 3948 1 1 13 SER CA C 6.861 2.740 1.051 1.00 . A A . 13 SER CA 1 1 14 3949 1 1 13 SER CB C 5.754 3.283 1.955 1.00 . A A . 13 SER CB 1 1 14 3950 1 1 13 SER H H 5.191 2.040 -0.114 1.00 . A A . 13 SER H 1 1 14 3951 1 1 13 SER HA H 7.511 3.536 0.753 1.00 . A A . 13 SER HA 1 1 14 3952 1 1 13 SER HB2 H 5.159 2.466 2.329 1.00 . A A . 13 SER HB2 1 1 14 3953 1 1 13 SER HB3 H 6.198 3.812 2.788 1.00 . A A . 13 SER HB3 1 1 14 3954 1 1 13 SER HG H 4.014 3.997 1.458 1.00 . A A . 13 SER HG 1 1 14 3955 1 1 13 SER N N 6.159 2.187 -0.139 1.00 . A A . 13 SER N 1 1 14 3956 1 1 13 SER O O 8.717 1.896 2.307 1.00 . A A . 13 SER O 1 1 14 3957 1 1 13 SER OG O 4.925 4.162 1.206 1.00 . A A . 13 SER OG 1 1 14 3958 1 1 14 LEU C C 9.260 -0.861 1.839 1.00 . A A . 14 LEU C 1 1 14 3959 1 1 14 LEU CA C 7.879 -0.656 2.472 1.00 . A A . 14 LEU CA 1 1 14 3960 1 1 14 LEU CB C 7.013 -1.901 2.281 1.00 . A A . 14 LEU CB 1 1 14 3961 1 1 14 LEU CD1 C 6.393 -3.872 3.688 1.00 . A A . 14 LEU CD1 1 1 14 3962 1 1 14 LEU CD2 C 8.467 -3.934 2.300 1.00 . A A . 14 LEU CD2 1 1 14 3963 1 1 14 LEU CG C 7.557 -3.041 3.145 1.00 . A A . 14 LEU CG 1 1 14 3964 1 1 14 LEU H H 6.290 0.283 1.343 1.00 . A A . 14 LEU H 1 1 14 3965 1 1 14 LEU HA H 7.978 -0.438 3.521 1.00 . A A . 14 LEU HA 1 1 14 3966 1 1 14 LEU HB2 H 5.996 -1.680 2.574 1.00 . A A . 14 LEU HB2 1 1 14 3967 1 1 14 LEU HB3 H 7.032 -2.198 1.243 1.00 . A A . 14 LEU HB3 1 1 14 3968 1 1 14 LEU HD11 H 5.606 -3.914 2.949 1.00 . A A . 14 LEU HD11 1 1 14 3969 1 1 14 LEU HD12 H 6.015 -3.416 4.591 1.00 . A A . 14 LEU HD12 1 1 14 3970 1 1 14 LEU HD13 H 6.735 -4.872 3.906 1.00 . A A . 14 LEU HD13 1 1 14 3971 1 1 14 LEU HD21 H 8.979 -3.331 1.564 1.00 . A A . 14 LEU HD21 1 1 14 3972 1 1 14 LEU HD22 H 7.872 -4.683 1.799 1.00 . A A . 14 LEU HD22 1 1 14 3973 1 1 14 LEU HD23 H 9.193 -4.415 2.937 1.00 . A A . 14 LEU HD23 1 1 14 3974 1 1 14 LEU HG H 8.119 -2.629 3.971 1.00 . A A . 14 LEU HG 1 1 14 3975 1 1 14 LEU N N 7.149 0.452 1.782 1.00 . A A . 14 LEU N 1 1 14 3976 1 1 14 LEU O O 10.149 -1.431 2.441 1.00 . A A . 14 LEU O 1 1 14 3977 1 1 15 LYS C C 11.826 0.284 0.685 1.00 . A A . 15 LYS C 1 1 14 3978 1 1 15 LYS CA C 10.772 -0.558 -0.035 1.00 . A A . 15 LYS CA 1 1 14 3979 1 1 15 LYS CB C 10.563 -0.047 -1.460 1.00 . A A . 15 LYS CB 1 1 14 3980 1 1 15 LYS CD C 11.536 -1.962 -2.739 1.00 . A A . 15 LYS CD 1 1 14 3981 1 1 15 LYS CE C 11.213 -3.405 -3.133 1.00 . A A . 15 LYS CE 1 1 14 3982 1 1 15 LYS CG C 10.242 -1.226 -2.383 1.00 . A A . 15 LYS CG 1 1 14 3983 1 1 15 LYS H H 8.720 0.066 0.166 1.00 . A A . 15 LYS H 1 1 14 3984 1 1 15 LYS HA H 11.063 -1.592 -0.057 1.00 . A A . 15 LYS HA 1 1 14 3985 1 1 15 LYS HB2 H 9.743 0.656 -1.474 1.00 . A A . 15 LYS HB2 1 1 14 3986 1 1 15 LYS HB3 H 11.462 0.440 -1.803 1.00 . A A . 15 LYS HB3 1 1 14 3987 1 1 15 LYS HD2 H 12.018 -1.461 -3.567 1.00 . A A . 15 LYS HD2 1 1 14 3988 1 1 15 LYS HD3 H 12.196 -1.963 -1.885 1.00 . A A . 15 LYS HD3 1 1 14 3989 1 1 15 LYS HE2 H 11.960 -4.078 -2.733 1.00 . A A . 15 LYS HE2 1 1 14 3990 1 1 15 LYS HE3 H 10.230 -3.680 -2.785 1.00 . A A . 15 LYS HE3 1 1 14 3991 1 1 15 LYS HG2 H 9.569 -1.903 -1.879 1.00 . A A . 15 LYS HG2 1 1 14 3992 1 1 15 LYS HG3 H 9.778 -0.860 -3.286 1.00 . A A . 15 LYS HG3 1 1 14 3993 1 1 15 LYS HZ1 H 11.124 -4.387 -4.966 1.00 . A A . 15 LYS HZ1 1 1 14 3994 1 1 15 LYS HZ2 H 12.162 -3.045 -4.951 1.00 . A A . 15 LYS HZ2 1 1 14 3995 1 1 15 LYS HZ3 H 10.479 -2.816 -4.989 1.00 . A A . 15 LYS HZ3 1 1 14 3996 1 1 15 LYS N N 9.448 -0.395 0.632 1.00 . A A . 15 LYS N 1 1 14 3997 1 1 15 LYS NZ N 11.248 -3.414 -4.622 1.00 . A A . 15 LYS NZ 1 1 14 3998 1 1 15 LYS O O 12.802 -0.227 1.200 1.00 . A A . 15 LYS O 1 1 14 3999 1 1 16 SER C C 12.246 3.942 1.057 1.00 . A A . 16 SER C 1 1 14 4000 1 1 16 SER CA C 12.593 2.494 1.402 1.00 . A A . 16 SER CA 1 1 14 4001 1 1 16 SER CB C 13.974 2.135 0.846 1.00 . A A . 16 SER CB 1 1 14 4002 1 1 16 SER H H 10.823 1.945 0.300 1.00 . A A . 16 SER H 1 1 14 4003 1 1 16 SER HA H 12.569 2.344 2.466 1.00 . A A . 16 SER HA 1 1 14 4004 1 1 16 SER HB2 H 13.864 1.588 -0.074 1.00 . A A . 16 SER HB2 1 1 14 4005 1 1 16 SER HB3 H 14.532 3.043 0.658 1.00 . A A . 16 SER HB3 1 1 14 4006 1 1 16 SER HG H 15.602 1.375 1.593 1.00 . A A . 16 SER HG 1 1 14 4007 1 1 16 SER N N 11.625 1.574 0.722 1.00 . A A . 16 SER N 1 1 14 4008 1 1 16 SER O O 12.524 4.860 1.803 1.00 . A A . 16 SER O 1 1 14 4009 1 1 16 SER OG O 14.664 1.327 1.790 1.00 . A A . 16 SER OG 1 1 14 4010 1 1 17 PHE C C 9.779 5.774 -0.186 1.00 . A A . 17 PHE C 1 1 14 4011 1 1 17 PHE CA C 11.253 5.514 -0.508 1.00 . A A . 17 PHE CA 1 1 14 4012 1 1 17 PHE CB C 11.490 5.564 -2.028 1.00 . A A . 17 PHE CB 1 1 14 4013 1 1 17 PHE CD1 C 9.813 3.883 -2.894 1.00 . A A . 17 PHE CD1 1 1 14 4014 1 1 17 PHE CD2 C 12.174 3.341 -3.003 1.00 . A A . 17 PHE CD2 1 1 14 4015 1 1 17 PHE CE1 C 9.504 2.645 -3.473 1.00 . A A . 17 PHE CE1 1 1 14 4016 1 1 17 PHE CE2 C 11.865 2.104 -3.581 1.00 . A A . 17 PHE CE2 1 1 14 4017 1 1 17 PHE CG C 11.149 4.232 -2.660 1.00 . A A . 17 PHE CG 1 1 14 4018 1 1 17 PHE CZ C 10.530 1.756 -3.815 1.00 . A A . 17 PHE CZ 1 1 14 4019 1 1 17 PHE H H 11.430 3.383 -0.645 1.00 . A A . 17 PHE H 1 1 14 4020 1 1 17 PHE HA H 11.876 6.235 -0.018 1.00 . A A . 17 PHE HA 1 1 14 4021 1 1 17 PHE HB2 H 10.868 6.333 -2.460 1.00 . A A . 17 PHE HB2 1 1 14 4022 1 1 17 PHE HB3 H 12.528 5.795 -2.219 1.00 . A A . 17 PHE HB3 1 1 14 4023 1 1 17 PHE HD1 H 9.019 4.568 -2.629 1.00 . A A . 17 PHE HD1 1 1 14 4024 1 1 17 PHE HD2 H 13.203 3.610 -2.822 1.00 . A A . 17 PHE HD2 1 1 14 4025 1 1 17 PHE HE1 H 8.473 2.372 -3.651 1.00 . A A . 17 PHE HE1 1 1 14 4026 1 1 17 PHE HE2 H 12.656 1.416 -3.841 1.00 . A A . 17 PHE HE2 1 1 14 4027 1 1 17 PHE HZ H 10.291 0.801 -4.261 1.00 . A A . 17 PHE HZ 1 1 14 4028 1 1 17 PHE N N 11.637 4.140 -0.077 1.00 . A A . 17 PHE N 1 1 14 4029 1 1 17 PHE O O 9.157 5.022 0.536 1.00 . A A . 17 PHE O 1 1 14 4030 1 1 18 NH2 HN1 H 8.248 6.998 -0.498 1.00 . A A . 18 NH2 HN1 1 1 14 4031 1 1 18 NH2 HN2 H 9.691 7.429 -1.280 1.00 . A A . 18 NH2 HN2 1 1 14 4032 1 1 18 NH2 N N 9.190 6.820 -0.697 1.00 . A A . 18 NH2 N 1 1 15 4033 1 1 1 MET C C -13.442 0.389 3.471 1.00 . A A . 1 MET C 1 1 15 4034 1 1 1 MET CA C -14.316 -0.607 4.239 1.00 . A A . 1 MET CA 1 1 15 4035 1 1 1 MET CB C -13.665 -1.991 4.256 1.00 . A A . 1 MET CB 1 1 15 4036 1 1 1 MET CE C -14.853 -3.258 7.964 1.00 . A A . 1 MET CE 1 1 15 4037 1 1 1 MET CG C -14.326 -2.855 5.331 1.00 . A A . 1 MET CG 1 1 15 4038 1 1 1 MET H1 H -15.458 -1.325 2.650 1.00 . A A . 1 MET H1 1 1 15 4039 1 1 1 MET H2 H -16.034 0.127 3.318 1.00 . A A . 1 MET H2 1 1 15 4040 1 1 1 MET H3 H -16.264 -1.339 4.143 1.00 . A A . 1 MET H3 1 1 15 4041 1 1 1 MET HA H -14.481 -0.265 5.248 1.00 . A A . 1 MET HA 1 1 15 4042 1 1 1 MET HB2 H -13.790 -2.459 3.290 1.00 . A A . 1 MET HB2 1 1 15 4043 1 1 1 MET HB3 H -12.612 -1.891 4.474 1.00 . A A . 1 MET HB3 1 1 15 4044 1 1 1 MET HE1 H -15.311 -4.076 7.425 1.00 . A A . 1 MET HE1 1 1 15 4045 1 1 1 MET HE2 H -15.601 -2.514 8.205 1.00 . A A . 1 MET HE2 1 1 15 4046 1 1 1 MET HE3 H -14.415 -3.632 8.876 1.00 . A A . 1 MET HE3 1 1 15 4047 1 1 1 MET HG2 H -15.382 -2.629 5.376 1.00 . A A . 1 MET HG2 1 1 15 4048 1 1 1 MET HG3 H -14.191 -3.898 5.089 1.00 . A A . 1 MET HG3 1 1 15 4049 1 1 1 MET N N -15.616 -0.801 3.534 1.00 . A A . 1 MET N 1 1 15 4050 1 1 1 MET O O -13.870 0.982 2.501 1.00 . A A . 1 MET O 1 1 15 4051 1 1 1 MET SD S -13.567 -2.506 6.937 1.00 . A A . 1 MET SD 1 1 15 4052 1 1 2 ALA C C -9.861 1.267 3.573 1.00 . A A . 2 ALA C 1 1 15 4053 1 1 2 ALA CA C -11.321 1.534 3.194 1.00 . A A . 2 ALA CA 1 1 15 4054 1 1 2 ALA CB C -11.758 2.917 3.678 1.00 . A A . 2 ALA CB 1 1 15 4055 1 1 2 ALA H H -11.898 0.087 4.684 1.00 . A A . 2 ALA H 1 1 15 4056 1 1 2 ALA HA H -11.454 1.459 2.126 1.00 . A A . 2 ALA HA 1 1 15 4057 1 1 2 ALA HB1 H -11.323 3.675 3.043 1.00 . A A . 2 ALA HB1 1 1 15 4058 1 1 2 ALA HB2 H -11.425 3.065 4.695 1.00 . A A . 2 ALA HB2 1 1 15 4059 1 1 2 ALA HB3 H -12.835 2.989 3.638 1.00 . A A . 2 ALA HB3 1 1 15 4060 1 1 2 ALA N N -12.222 0.576 3.898 1.00 . A A . 2 ALA N 1 1 15 4061 1 1 2 ALA O O -9.212 2.085 4.196 1.00 . A A . 2 ALA O 1 1 15 4062 1 1 3 THR C C -7.140 -0.511 2.262 1.00 . A A . 3 THR C 1 1 15 4063 1 1 3 THR CA C -7.922 -0.192 3.534 1.00 . A A . 3 THR CA 1 1 15 4064 1 1 3 THR CB C -7.995 -1.418 4.446 1.00 . A A . 3 THR CB 1 1 15 4065 1 1 3 THR CG2 C -6.665 -1.592 5.180 1.00 . A A . 3 THR CG2 1 1 15 4066 1 1 3 THR H H -9.881 -0.515 2.696 1.00 . A A . 3 THR H 1 1 15 4067 1 1 3 THR HA H -7.463 0.631 4.056 1.00 . A A . 3 THR HA 1 1 15 4068 1 1 3 THR HB H -8.192 -2.297 3.853 1.00 . A A . 3 THR HB 1 1 15 4069 1 1 3 THR HG1 H -9.366 -2.108 5.640 1.00 . A A . 3 THR HG1 1 1 15 4070 1 1 3 THR HG21 H -6.677 -1.009 6.089 1.00 . A A . 3 THR HG21 1 1 15 4071 1 1 3 THR HG22 H -5.858 -1.257 4.547 1.00 . A A . 3 THR HG22 1 1 15 4072 1 1 3 THR HG23 H -6.523 -2.634 5.424 1.00 . A A . 3 THR HG23 1 1 15 4073 1 1 3 THR N N -9.340 0.129 3.199 1.00 . A A . 3 THR N 1 1 15 4074 1 1 3 THR O O -6.336 -1.421 2.224 1.00 . A A . 3 THR O 1 1 15 4075 1 1 3 THR OG1 O -9.041 -1.240 5.391 1.00 . A A . 3 THR OG1 1 1 15 4076 1 1 4 LEU C C -5.330 0.773 -0.058 1.00 . A A . 4 LEU C 1 1 15 4077 1 1 4 LEU CA C -6.642 -0.006 -0.051 1.00 . A A . 4 LEU CA 1 1 15 4078 1 1 4 LEU CB C -7.578 0.494 -1.155 1.00 . A A . 4 LEU CB 1 1 15 4079 1 1 4 LEU CD1 C -9.658 -0.880 -1.353 1.00 . A A . 4 LEU CD1 1 1 15 4080 1 1 4 LEU CD2 C -8.253 -0.449 -3.371 1.00 . A A . 4 LEU CD2 1 1 15 4081 1 1 4 LEU CG C -8.226 -0.700 -1.861 1.00 . A A . 4 LEU CG 1 1 15 4082 1 1 4 LEU H H -8.016 0.964 1.277 1.00 . A A . 4 LEU H 1 1 15 4083 1 1 4 LEU HA H -6.455 -1.057 -0.171 1.00 . A A . 4 LEU HA 1 1 15 4084 1 1 4 LEU HB2 H -8.345 1.117 -0.720 1.00 . A A . 4 LEU HB2 1 1 15 4085 1 1 4 LEU HB3 H -7.012 1.070 -1.872 1.00 . A A . 4 LEU HB3 1 1 15 4086 1 1 4 LEU HD11 H -9.734 -0.496 -0.347 1.00 . A A . 4 LEU HD11 1 1 15 4087 1 1 4 LEU HD12 H -9.912 -1.931 -1.356 1.00 . A A . 4 LEU HD12 1 1 15 4088 1 1 4 LEU HD13 H -10.340 -0.344 -1.996 1.00 . A A . 4 LEU HD13 1 1 15 4089 1 1 4 LEU HD21 H -7.334 0.032 -3.672 1.00 . A A . 4 LEU HD21 1 1 15 4090 1 1 4 LEU HD22 H -9.090 0.189 -3.615 1.00 . A A . 4 LEU HD22 1 1 15 4091 1 1 4 LEU HD23 H -8.354 -1.390 -3.891 1.00 . A A . 4 LEU HD23 1 1 15 4092 1 1 4 LEU HG H -7.657 -1.595 -1.653 1.00 . A A . 4 LEU HG 1 1 15 4093 1 1 4 LEU N N -7.369 0.239 1.220 1.00 . A A . 4 LEU N 1 1 15 4094 1 1 4 LEU O O -4.281 0.232 -0.347 1.00 . A A . 4 LEU O 1 1 15 4095 1 1 5 GLU C C -3.120 2.196 1.242 1.00 . A A . 5 GLU C 1 1 15 4096 1 1 5 GLU CA C -4.113 2.837 0.281 1.00 . A A . 5 GLU CA 1 1 15 4097 1 1 5 GLU CB C -4.517 4.233 0.756 1.00 . A A . 5 GLU CB 1 1 15 4098 1 1 5 GLU CD C -4.362 5.316 -1.490 1.00 . A A . 5 GLU CD 1 1 15 4099 1 1 5 GLU CG C -3.784 5.289 -0.074 1.00 . A A . 5 GLU CG 1 1 15 4100 1 1 5 GLU H H -6.223 2.459 0.500 1.00 . A A . 5 GLU H 1 1 15 4101 1 1 5 GLU HA H -3.693 2.882 -0.706 1.00 . A A . 5 GLU HA 1 1 15 4102 1 1 5 GLU HB2 H -5.583 4.358 0.640 1.00 . A A . 5 GLU HB2 1 1 15 4103 1 1 5 GLU HB3 H -4.252 4.350 1.796 1.00 . A A . 5 GLU HB3 1 1 15 4104 1 1 5 GLU HG2 H -3.910 6.259 0.386 1.00 . A A . 5 GLU HG2 1 1 15 4105 1 1 5 GLU HG3 H -2.734 5.046 -0.121 1.00 . A A . 5 GLU HG3 1 1 15 4106 1 1 5 GLU N N -5.371 2.039 0.264 1.00 . A A . 5 GLU N 1 1 15 4107 1 1 5 GLU O O -1.936 2.126 0.976 1.00 . A A . 5 GLU O 1 1 15 4108 1 1 5 GLU OE1 O -5.477 5.787 -1.645 1.00 . A A . 5 GLU OE1 1 1 15 4109 1 1 5 GLU OE2 O -3.680 4.866 -2.395 1.00 . A A . 5 GLU OE2 1 1 15 4110 1 1 6 LYS C C -2.091 -0.217 2.652 1.00 . A A . 6 LYS C 1 1 15 4111 1 1 6 LYS CA C -2.693 1.028 3.311 1.00 . A A . 6 LYS CA 1 1 15 4112 1 1 6 LYS CB C -3.581 0.633 4.489 1.00 . A A . 6 LYS CB 1 1 15 4113 1 1 6 LYS CD C -3.519 1.399 6.871 1.00 . A A . 6 LYS CD 1 1 15 4114 1 1 6 LYS CE C -4.546 0.468 7.521 1.00 . A A . 6 LYS CE 1 1 15 4115 1 1 6 LYS CG C -2.759 0.641 5.781 1.00 . A A . 6 LYS CG 1 1 15 4116 1 1 6 LYS H H -4.560 1.747 2.530 1.00 . A A . 6 LYS H 1 1 15 4117 1 1 6 LYS HA H -1.919 1.703 3.635 1.00 . A A . 6 LYS HA 1 1 15 4118 1 1 6 LYS HB2 H -4.398 1.337 4.574 1.00 . A A . 6 LYS HB2 1 1 15 4119 1 1 6 LYS HB3 H -3.978 -0.358 4.322 1.00 . A A . 6 LYS HB3 1 1 15 4120 1 1 6 LYS HD2 H -2.823 1.747 7.620 1.00 . A A . 6 LYS HD2 1 1 15 4121 1 1 6 LYS HD3 H -4.030 2.243 6.433 1.00 . A A . 6 LYS HD3 1 1 15 4122 1 1 6 LYS HE2 H -5.458 0.453 6.942 1.00 . A A . 6 LYS HE2 1 1 15 4123 1 1 6 LYS HE3 H -4.143 -0.529 7.616 1.00 . A A . 6 LYS HE3 1 1 15 4124 1 1 6 LYS HG2 H -2.587 -0.377 6.103 1.00 . A A . 6 LYS HG2 1 1 15 4125 1 1 6 LYS HG3 H -1.811 1.126 5.603 1.00 . A A . 6 LYS HG3 1 1 15 4126 1 1 6 LYS HZ1 H -5.611 0.582 9.305 1.00 . A A . 6 LYS HZ1 1 1 15 4127 1 1 6 LYS HZ2 H -4.983 2.066 8.780 1.00 . A A . 6 LYS HZ2 1 1 15 4128 1 1 6 LYS HZ3 H -3.950 0.906 9.467 1.00 . A A . 6 LYS HZ3 1 1 15 4129 1 1 6 LYS N N -3.600 1.699 2.347 1.00 . A A . 6 LYS N 1 1 15 4130 1 1 6 LYS NZ N -4.791 1.050 8.870 1.00 . A A . 6 LYS NZ 1 1 15 4131 1 1 6 LYS O O -1.141 -0.793 3.143 1.00 . A A . 6 LYS O 1 1 15 4132 1 1 7 LEU C C -1.235 -1.414 -0.336 1.00 . A A . 7 LEU C 1 1 15 4133 1 1 7 LEU CA C -2.117 -1.837 0.848 1.00 . A A . 7 LEU CA 1 1 15 4134 1 1 7 LEU CB C -3.374 -2.611 0.403 1.00 . A A . 7 LEU CB 1 1 15 4135 1 1 7 LEU CD1 C -2.754 -3.450 -1.874 1.00 . A A . 7 LEU CD1 1 1 15 4136 1 1 7 LEU CD2 C -5.100 -2.716 -1.408 1.00 . A A . 7 LEU CD2 1 1 15 4137 1 1 7 LEU CG C -3.621 -2.451 -1.102 1.00 . A A . 7 LEU CG 1 1 15 4138 1 1 7 LEU H H -3.411 -0.161 1.158 1.00 . A A . 7 LEU H 1 1 15 4139 1 1 7 LEU HA H -1.551 -2.431 1.539 1.00 . A A . 7 LEU HA 1 1 15 4140 1 1 7 LEU HB2 H -3.247 -3.657 0.631 1.00 . A A . 7 LEU HB2 1 1 15 4141 1 1 7 LEU HB3 H -4.232 -2.232 0.942 1.00 . A A . 7 LEU HB3 1 1 15 4142 1 1 7 LEU HD11 H -2.234 -2.934 -2.668 1.00 . A A . 7 LEU HD11 1 1 15 4143 1 1 7 LEU HD12 H -3.379 -4.222 -2.295 1.00 . A A . 7 LEU HD12 1 1 15 4144 1 1 7 LEU HD13 H -2.034 -3.896 -1.204 1.00 . A A . 7 LEU HD13 1 1 15 4145 1 1 7 LEU HD21 H -5.191 -3.609 -2.008 1.00 . A A . 7 LEU HD21 1 1 15 4146 1 1 7 LEU HD22 H -5.511 -1.876 -1.948 1.00 . A A . 7 LEU HD22 1 1 15 4147 1 1 7 LEU HD23 H -5.642 -2.849 -0.483 1.00 . A A . 7 LEU HD23 1 1 15 4148 1 1 7 LEU HG H -3.366 -1.447 -1.402 1.00 . A A . 7 LEU HG 1 1 15 4149 1 1 7 LEU N N -2.646 -0.637 1.539 1.00 . A A . 7 LEU N 1 1 15 4150 1 1 7 LEU O O -0.329 -2.120 -0.733 1.00 . A A . 7 LEU O 1 1 15 4151 1 1 8 MET C C 0.608 0.860 -1.557 1.00 . A A . 8 MET C 1 1 15 4152 1 1 8 MET CA C -0.688 0.215 -2.053 1.00 . A A . 8 MET CA 1 1 15 4153 1 1 8 MET CB C -1.568 1.248 -2.758 1.00 . A A . 8 MET CB 1 1 15 4154 1 1 8 MET CE C -2.082 3.894 -5.071 1.00 . A A . 8 MET CE 1 1 15 4155 1 1 8 MET CG C -0.930 1.639 -4.091 1.00 . A A . 8 MET CG 1 1 15 4156 1 1 8 MET H H -2.232 0.285 -0.565 1.00 . A A . 8 MET H 1 1 15 4157 1 1 8 MET HA H -0.474 -0.600 -2.719 1.00 . A A . 8 MET HA 1 1 15 4158 1 1 8 MET HB2 H -2.546 0.825 -2.936 1.00 . A A . 8 MET HB2 1 1 15 4159 1 1 8 MET HB3 H -1.663 2.125 -2.136 1.00 . A A . 8 MET HB3 1 1 15 4160 1 1 8 MET HE1 H -2.228 4.373 -6.029 1.00 . A A . 8 MET HE1 1 1 15 4161 1 1 8 MET HE2 H -1.102 4.136 -4.686 1.00 . A A . 8 MET HE2 1 1 15 4162 1 1 8 MET HE3 H -2.833 4.242 -4.380 1.00 . A A . 8 MET HE3 1 1 15 4163 1 1 8 MET HG2 H -0.266 2.478 -3.940 1.00 . A A . 8 MET HG2 1 1 15 4164 1 1 8 MET HG3 H -0.370 0.803 -4.482 1.00 . A A . 8 MET HG3 1 1 15 4165 1 1 8 MET N N -1.499 -0.262 -0.901 1.00 . A A . 8 MET N 1 1 15 4166 1 1 8 MET O O 1.693 0.407 -1.864 1.00 . A A . 8 MET O 1 1 15 4167 1 1 8 MET SD S -2.225 2.101 -5.268 1.00 . A A . 8 MET SD 1 1 15 4168 1 1 9 LYS C C 2.634 1.571 0.426 1.00 . A A . 9 LYS C 1 1 15 4169 1 1 9 LYS CA C 1.725 2.590 -0.266 1.00 . A A . 9 LYS CA 1 1 15 4170 1 1 9 LYS CB C 1.213 3.623 0.740 1.00 . A A . 9 LYS CB 1 1 15 4171 1 1 9 LYS CD C 0.225 5.107 -1.013 1.00 . A A . 9 LYS CD 1 1 15 4172 1 1 9 LYS CE C 0.720 6.079 -2.085 1.00 . A A . 9 LYS CE 1 1 15 4173 1 1 9 LYS CG C 1.259 5.017 0.112 1.00 . A A . 9 LYS CG 1 1 15 4174 1 1 9 LYS H H -0.385 2.259 -0.554 1.00 . A A . 9 LYS H 1 1 15 4175 1 1 9 LYS HA H 2.255 3.083 -1.065 1.00 . A A . 9 LYS HA 1 1 15 4176 1 1 9 LYS HB2 H 0.195 3.384 1.013 1.00 . A A . 9 LYS HB2 1 1 15 4177 1 1 9 LYS HB3 H 1.836 3.608 1.622 1.00 . A A . 9 LYS HB3 1 1 15 4178 1 1 9 LYS HD2 H 0.083 4.128 -1.450 1.00 . A A . 9 LYS HD2 1 1 15 4179 1 1 9 LYS HD3 H -0.712 5.462 -0.613 1.00 . A A . 9 LYS HD3 1 1 15 4180 1 1 9 LYS HE2 H 1.725 5.818 -2.392 1.00 . A A . 9 LYS HE2 1 1 15 4181 1 1 9 LYS HE3 H 0.054 6.075 -2.934 1.00 . A A . 9 LYS HE3 1 1 15 4182 1 1 9 LYS HG2 H 1.038 5.760 0.865 1.00 . A A . 9 LYS HG2 1 1 15 4183 1 1 9 LYS HG3 H 2.244 5.198 -0.293 1.00 . A A . 9 LYS HG3 1 1 15 4184 1 1 9 LYS HZ1 H -0.250 7.613 -1.068 1.00 . A A . 9 LYS HZ1 1 1 15 4185 1 1 9 LYS HZ2 H 0.969 8.145 -2.120 1.00 . A A . 9 LYS HZ2 1 1 15 4186 1 1 9 LYS HZ3 H 1.384 7.421 -0.640 1.00 . A A . 9 LYS HZ3 1 1 15 4187 1 1 9 LYS N N 0.501 1.914 -0.790 1.00 . A A . 9 LYS N 1 1 15 4188 1 1 9 LYS NZ N 0.705 7.414 -1.429 1.00 . A A . 9 LYS NZ 1 1 15 4189 1 1 9 LYS O O 3.833 1.747 0.505 1.00 . A A . 9 LYS O 1 1 15 4190 1 1 10 ALA C C 3.882 -1.146 0.603 1.00 . A A . 10 ALA C 1 1 15 4191 1 1 10 ALA CA C 2.896 -0.532 1.599 1.00 . A A . 10 ALA CA 1 1 15 4192 1 1 10 ALA CB C 1.902 -1.585 2.083 1.00 . A A . 10 ALA CB 1 1 15 4193 1 1 10 ALA H H 1.101 0.380 0.842 1.00 . A A . 10 ALA H 1 1 15 4194 1 1 10 ALA HA H 3.418 -0.104 2.436 1.00 . A A . 10 ALA HA 1 1 15 4195 1 1 10 ALA HB1 H 1.691 -1.428 3.130 1.00 . A A . 10 ALA HB1 1 1 15 4196 1 1 10 ALA HB2 H 2.324 -2.570 1.944 1.00 . A A . 10 ALA HB2 1 1 15 4197 1 1 10 ALA HB3 H 0.986 -1.503 1.516 1.00 . A A . 10 ALA HB3 1 1 15 4198 1 1 10 ALA N N 2.069 0.503 0.920 1.00 . A A . 10 ALA N 1 1 15 4199 1 1 10 ALA O O 5.028 -1.393 0.919 1.00 . A A . 10 ALA O 1 1 15 4200 1 1 11 PHE C C 5.311 -0.924 -2.161 1.00 . A A . 11 PHE C 1 1 15 4201 1 1 11 PHE CA C 4.345 -1.987 -1.623 1.00 . A A . 11 PHE CA 1 1 15 4202 1 1 11 PHE CB C 3.416 -2.465 -2.742 1.00 . A A . 11 PHE CB 1 1 15 4203 1 1 11 PHE CD1 C 2.446 -3.993 -0.958 1.00 . A A . 11 PHE CD1 1 1 15 4204 1 1 11 PHE CD2 C 1.125 -3.496 -2.931 1.00 . A A . 11 PHE CD2 1 1 15 4205 1 1 11 PHE CE1 C 1.408 -4.796 -0.469 1.00 . A A . 11 PHE CE1 1 1 15 4206 1 1 11 PHE CE2 C 0.089 -4.299 -2.441 1.00 . A A . 11 PHE CE2 1 1 15 4207 1 1 11 PHE CG C 2.304 -3.341 -2.193 1.00 . A A . 11 PHE CG 1 1 15 4208 1 1 11 PHE CZ C 0.230 -4.949 -1.210 1.00 . A A . 11 PHE CZ 1 1 15 4209 1 1 11 PHE H H 2.515 -1.183 -0.839 1.00 . A A . 11 PHE H 1 1 15 4210 1 1 11 PHE HA H 4.889 -2.820 -1.210 1.00 . A A . 11 PHE HA 1 1 15 4211 1 1 11 PHE HB2 H 2.978 -1.605 -3.226 1.00 . A A . 11 PHE HB2 1 1 15 4212 1 1 11 PHE HB3 H 3.988 -3.026 -3.462 1.00 . A A . 11 PHE HB3 1 1 15 4213 1 1 11 PHE HD1 H 3.353 -3.877 -0.386 1.00 . A A . 11 PHE HD1 1 1 15 4214 1 1 11 PHE HD2 H 1.013 -2.995 -3.882 1.00 . A A . 11 PHE HD2 1 1 15 4215 1 1 11 PHE HE1 H 1.515 -5.297 0.482 1.00 . A A . 11 PHE HE1 1 1 15 4216 1 1 11 PHE HE2 H -0.819 -4.417 -3.014 1.00 . A A . 11 PHE HE2 1 1 15 4217 1 1 11 PHE HZ H -0.569 -5.568 -0.831 1.00 . A A . 11 PHE HZ 1 1 15 4218 1 1 11 PHE N N 3.442 -1.390 -0.602 1.00 . A A . 11 PHE N 1 1 15 4219 1 1 11 PHE O O 6.297 -1.237 -2.799 1.00 . A A . 11 PHE O 1 1 15 4220 1 1 12 GLU C C 6.832 1.938 -1.318 1.00 . A A . 12 GLU C 1 1 15 4221 1 1 12 GLU CA C 5.922 1.410 -2.431 1.00 . A A . 12 GLU CA 1 1 15 4222 1 1 12 GLU CB C 4.973 2.510 -2.915 1.00 . A A . 12 GLU CB 1 1 15 4223 1 1 12 GLU CD C 4.019 3.646 -4.926 1.00 . A A . 12 GLU CD 1 1 15 4224 1 1 12 GLU CG C 5.026 2.601 -4.441 1.00 . A A . 12 GLU CG 1 1 15 4225 1 1 12 GLU H H 4.221 0.562 -1.412 1.00 . A A . 12 GLU H 1 1 15 4226 1 1 12 GLU HA H 6.512 1.047 -3.257 1.00 . A A . 12 GLU HA 1 1 15 4227 1 1 12 GLU HB2 H 3.965 2.279 -2.603 1.00 . A A . 12 GLU HB2 1 1 15 4228 1 1 12 GLU HB3 H 5.273 3.457 -2.489 1.00 . A A . 12 GLU HB3 1 1 15 4229 1 1 12 GLU HG2 H 6.021 2.888 -4.750 1.00 . A A . 12 GLU HG2 1 1 15 4230 1 1 12 GLU HG3 H 4.779 1.641 -4.869 1.00 . A A . 12 GLU HG3 1 1 15 4231 1 1 12 GLU N N 5.027 0.329 -1.920 1.00 . A A . 12 GLU N 1 1 15 4232 1 1 12 GLU O O 8.012 2.141 -1.519 1.00 . A A . 12 GLU O 1 1 15 4233 1 1 12 GLU OE1 O 2.951 3.725 -4.343 1.00 . A A . 12 GLU OE1 1 1 15 4234 1 1 12 GLU OE2 O 4.333 4.349 -5.872 1.00 . A A . 12 GLU OE2 1 1 15 4235 1 1 13 SER C C 7.590 1.579 1.883 1.00 . A A . 13 SER C 1 1 15 4236 1 1 13 SER CA C 7.129 2.708 0.959 1.00 . A A . 13 SER CA 1 1 15 4237 1 1 13 SER CB C 6.221 3.679 1.710 1.00 . A A . 13 SER CB 1 1 15 4238 1 1 13 SER H H 5.342 2.022 -0.013 1.00 . A A . 13 SER H 1 1 15 4239 1 1 13 SER HA H 7.972 3.229 0.562 1.00 . A A . 13 SER HA 1 1 15 4240 1 1 13 SER HB2 H 5.437 4.022 1.056 1.00 . A A . 13 SER HB2 1 1 15 4241 1 1 13 SER HB3 H 5.781 3.176 2.561 1.00 . A A . 13 SER HB3 1 1 15 4242 1 1 13 SER HG H 7.532 4.509 2.884 1.00 . A A . 13 SER HG 1 1 15 4243 1 1 13 SER N N 6.293 2.177 -0.153 1.00 . A A . 13 SER N 1 1 15 4244 1 1 13 SER O O 8.635 1.658 2.498 1.00 . A A . 13 SER O 1 1 15 4245 1 1 13 SER OG O 6.986 4.795 2.147 1.00 . A A . 13 SER OG 1 1 15 4246 1 1 14 LEU C C 7.896 -1.696 2.075 1.00 . A A . 14 LEU C 1 1 15 4247 1 1 14 LEU CA C 7.205 -0.590 2.879 1.00 . A A . 14 LEU CA 1 1 15 4248 1 1 14 LEU CB C 5.891 -1.097 3.479 1.00 . A A . 14 LEU CB 1 1 15 4249 1 1 14 LEU CD1 C 7.182 -2.408 5.181 1.00 . A A . 14 LEU CD1 1 1 15 4250 1 1 14 LEU CD2 C 6.447 -0.076 5.696 1.00 . A A . 14 LEU CD2 1 1 15 4251 1 1 14 LEU CG C 6.072 -1.374 4.977 1.00 . A A . 14 LEU CG 1 1 15 4252 1 1 14 LEU H H 5.984 0.502 1.492 1.00 . A A . 14 LEU H 1 1 15 4253 1 1 14 LEU HA H 7.849 -0.235 3.658 1.00 . A A . 14 LEU HA 1 1 15 4254 1 1 14 LEU HB2 H 5.123 -0.350 3.343 1.00 . A A . 14 LEU HB2 1 1 15 4255 1 1 14 LEU HB3 H 5.597 -2.009 2.982 1.00 . A A . 14 LEU HB3 1 1 15 4256 1 1 14 LEU HD11 H 8.135 -1.971 4.924 1.00 . A A . 14 LEU HD11 1 1 15 4257 1 1 14 LEU HD12 H 6.997 -3.264 4.549 1.00 . A A . 14 LEU HD12 1 1 15 4258 1 1 14 LEU HD13 H 7.196 -2.721 6.215 1.00 . A A . 14 LEU HD13 1 1 15 4259 1 1 14 LEU HD21 H 7.522 0.029 5.714 1.00 . A A . 14 LEU HD21 1 1 15 4260 1 1 14 LEU HD22 H 6.072 -0.104 6.709 1.00 . A A . 14 LEU HD22 1 1 15 4261 1 1 14 LEU HD23 H 6.012 0.765 5.175 1.00 . A A . 14 LEU HD23 1 1 15 4262 1 1 14 LEU HG H 5.148 -1.757 5.383 1.00 . A A . 14 LEU HG 1 1 15 4263 1 1 14 LEU N N 6.818 0.538 1.991 1.00 . A A . 14 LEU N 1 1 15 4264 1 1 14 LEU O O 7.821 -2.860 2.416 1.00 . A A . 14 LEU O 1 1 15 4265 1 1 15 LYS C C 10.454 -2.947 0.978 1.00 . A A . 15 LYS C 1 1 15 4266 1 1 15 LYS CA C 9.273 -2.374 0.195 1.00 . A A . 15 LYS CA 1 1 15 4267 1 1 15 LYS CB C 9.764 -1.631 -1.048 1.00 . A A . 15 LYS CB 1 1 15 4268 1 1 15 LYS CD C 11.046 -3.350 -2.331 1.00 . A A . 15 LYS CD 1 1 15 4269 1 1 15 LYS CE C 11.414 -3.584 -3.799 1.00 . A A . 15 LYS CE 1 1 15 4270 1 1 15 LYS CG C 9.731 -2.573 -2.253 1.00 . A A . 15 LYS CG 1 1 15 4271 1 1 15 LYS H H 8.623 -0.395 0.761 1.00 . A A . 15 LYS H 1 1 15 4272 1 1 15 LYS HA H 8.595 -3.154 -0.087 1.00 . A A . 15 LYS HA 1 1 15 4273 1 1 15 LYS HB2 H 9.124 -0.781 -1.236 1.00 . A A . 15 LYS HB2 1 1 15 4274 1 1 15 LYS HB3 H 10.776 -1.290 -0.888 1.00 . A A . 15 LYS HB3 1 1 15 4275 1 1 15 LYS HD2 H 11.829 -2.783 -1.849 1.00 . A A . 15 LYS HD2 1 1 15 4276 1 1 15 LYS HD3 H 10.932 -4.302 -1.835 1.00 . A A . 15 LYS HD3 1 1 15 4277 1 1 15 LYS HE2 H 10.612 -4.099 -4.308 1.00 . A A . 15 LYS HE2 1 1 15 4278 1 1 15 LYS HE3 H 11.632 -2.648 -4.287 1.00 . A A . 15 LYS HE3 1 1 15 4279 1 1 15 LYS HG2 H 8.908 -3.265 -2.145 1.00 . A A . 15 LYS HG2 1 1 15 4280 1 1 15 LYS HG3 H 9.600 -1.997 -3.157 1.00 . A A . 15 LYS HG3 1 1 15 4281 1 1 15 LYS HZ1 H 13.331 -4.013 -3.107 1.00 . A A . 15 LYS HZ1 1 1 15 4282 1 1 15 LYS HZ2 H 13.049 -4.497 -4.708 1.00 . A A . 15 LYS HZ2 1 1 15 4283 1 1 15 LYS HZ3 H 12.384 -5.388 -3.424 1.00 . A A . 15 LYS HZ3 1 1 15 4284 1 1 15 LYS N N 8.572 -1.341 1.015 1.00 . A A . 15 LYS N 1 1 15 4285 1 1 15 LYS NZ N 12.637 -4.434 -3.756 1.00 . A A . 15 LYS NZ 1 1 15 4286 1 1 15 LYS O O 10.690 -4.139 0.990 1.00 . A A . 15 LYS O 1 1 15 4287 1 1 16 SER C C 13.146 -1.316 2.903 1.00 . A A . 16 SER C 1 1 15 4288 1 1 16 SER CA C 12.372 -2.544 2.432 1.00 . A A . 16 SER CA 1 1 15 4289 1 1 16 SER CB C 13.231 -3.381 1.480 1.00 . A A . 16 SER CB 1 1 15 4290 1 1 16 SER H H 10.967 -1.143 1.601 1.00 . A A . 16 SER H 1 1 15 4291 1 1 16 SER HA H 12.056 -3.135 3.271 1.00 . A A . 16 SER HA 1 1 15 4292 1 1 16 SER HB2 H 12.972 -3.150 0.460 1.00 . A A . 16 SER HB2 1 1 15 4293 1 1 16 SER HB3 H 14.276 -3.152 1.643 1.00 . A A . 16 SER HB3 1 1 15 4294 1 1 16 SER HG H 12.043 -4.908 1.684 1.00 . A A . 16 SER HG 1 1 15 4295 1 1 16 SER N N 11.192 -2.095 1.632 1.00 . A A . 16 SER N 1 1 15 4296 1 1 16 SER O O 13.755 -1.306 3.955 1.00 . A A . 16 SER O 1 1 15 4297 1 1 16 SER OG O 12.991 -4.761 1.721 1.00 . A A . 16 SER OG 1 1 15 4298 1 1 17 PHE C C 12.997 1.786 3.488 1.00 . A A . 17 PHE C 1 1 15 4299 1 1 17 PHE CA C 13.828 0.978 2.488 1.00 . A A . 17 PHE CA 1 1 15 4300 1 1 17 PHE CB C 14.015 1.770 1.181 1.00 . A A . 17 PHE CB 1 1 15 4301 1 1 17 PHE CD1 C 11.538 1.904 0.695 1.00 . A A . 17 PHE CD1 1 1 15 4302 1 1 17 PHE CD2 C 13.023 1.055 -1.025 1.00 . A A . 17 PHE CD2 1 1 15 4303 1 1 17 PHE CE1 C 10.444 1.712 -0.159 1.00 . A A . 17 PHE CE1 1 1 15 4304 1 1 17 PHE CE2 C 11.930 0.862 -1.876 1.00 . A A . 17 PHE CE2 1 1 15 4305 1 1 17 PHE CG C 12.829 1.577 0.260 1.00 . A A . 17 PHE CG 1 1 15 4306 1 1 17 PHE CZ C 10.641 1.190 -1.443 1.00 . A A . 17 PHE CZ 1 1 15 4307 1 1 17 PHE H H 12.607 -0.328 1.287 1.00 . A A . 17 PHE H 1 1 15 4308 1 1 17 PHE HA H 14.787 0.739 2.908 1.00 . A A . 17 PHE HA 1 1 15 4309 1 1 17 PHE HB2 H 14.117 2.820 1.413 1.00 . A A . 17 PHE HB2 1 1 15 4310 1 1 17 PHE HB3 H 14.911 1.429 0.683 1.00 . A A . 17 PHE HB3 1 1 15 4311 1 1 17 PHE HD1 H 11.385 2.307 1.685 1.00 . A A . 17 PHE HD1 1 1 15 4312 1 1 17 PHE HD2 H 14.018 0.803 -1.359 1.00 . A A . 17 PHE HD2 1 1 15 4313 1 1 17 PHE HE1 H 9.449 1.964 0.175 1.00 . A A . 17 PHE HE1 1 1 15 4314 1 1 17 PHE HE2 H 12.081 0.459 -2.865 1.00 . A A . 17 PHE HE2 1 1 15 4315 1 1 17 PHE HZ H 9.798 1.040 -2.101 1.00 . A A . 17 PHE HZ 1 1 15 4316 1 1 17 PHE N N 13.110 -0.277 2.119 1.00 . A A . 17 PHE N 1 1 15 4317 1 1 17 PHE O O 11.915 1.385 3.868 1.00 . A A . 17 PHE O 1 1 15 4318 1 1 18 NH2 HN1 H 12.940 3.447 4.575 1.00 . A A . 18 NH2 HN1 1 1 15 4319 1 1 18 NH2 HN2 H 14.335 3.246 3.629 1.00 . A A . 18 NH2 HN2 1 1 15 4320 1 1 18 NH2 N N 13.463 2.921 3.934 1.00 . A A . 18 NH2 N 1 1 16 4321 1 1 1 MET C C -13.014 -1.195 4.538 1.00 . A A . 1 MET C 1 1 16 4322 1 1 1 MET CA C -13.652 -1.084 5.926 1.00 . A A . 1 MET CA 1 1 16 4323 1 1 1 MET CB C -13.929 -2.473 6.504 1.00 . A A . 1 MET CB 1 1 16 4324 1 1 1 MET CE C -16.559 -1.824 9.594 1.00 . A A . 1 MET CE 1 1 16 4325 1 1 1 MET CG C -14.474 -2.334 7.929 1.00 . A A . 1 MET CG 1 1 16 4326 1 1 1 MET H1 H -15.307 -0.144 6.775 1.00 . A A . 1 MET H1 1 1 16 4327 1 1 1 MET H2 H -15.675 -1.102 5.420 1.00 . A A . 1 MET H2 1 1 16 4328 1 1 1 MET H3 H -14.923 0.408 5.217 1.00 . A A . 1 MET H3 1 1 16 4329 1 1 1 MET HA H -13.012 -0.529 6.592 1.00 . A A . 1 MET HA 1 1 16 4330 1 1 1 MET HB2 H -14.655 -2.983 5.888 1.00 . A A . 1 MET HB2 1 1 16 4331 1 1 1 MET HB3 H -13.012 -3.043 6.527 1.00 . A A . 1 MET HB3 1 1 16 4332 1 1 1 MET HE1 H -17.619 -1.838 9.808 1.00 . A A . 1 MET HE1 1 1 16 4333 1 1 1 MET HE2 H -16.175 -0.821 9.712 1.00 . A A . 1 MET HE2 1 1 16 4334 1 1 1 MET HE3 H -16.048 -2.486 10.275 1.00 . A A . 1 MET HE3 1 1 16 4335 1 1 1 MET HG2 H -14.108 -3.149 8.536 1.00 . A A . 1 MET HG2 1 1 16 4336 1 1 1 MET HG3 H -14.144 -1.396 8.350 1.00 . A A . 1 MET HG3 1 1 16 4337 1 1 1 MET N N -14.991 -0.431 5.828 1.00 . A A . 1 MET N 1 1 16 4338 1 1 1 MET O O -13.329 -2.081 3.769 1.00 . A A . 1 MET O 1 1 16 4339 1 1 1 MET SD S -16.284 -2.377 7.892 1.00 . A A . 1 MET SD 1 1 16 4340 1 1 2 ALA C C -9.964 -0.650 3.039 1.00 . A A . 2 ALA C 1 1 16 4341 1 1 2 ALA CA C -11.457 -0.351 2.879 1.00 . A A . 2 ALA CA 1 1 16 4342 1 1 2 ALA CB C -11.665 1.041 2.282 1.00 . A A . 2 ALA CB 1 1 16 4343 1 1 2 ALA H H -11.880 0.405 4.852 1.00 . A A . 2 ALA H 1 1 16 4344 1 1 2 ALA HA H -11.927 -1.094 2.254 1.00 . A A . 2 ALA HA 1 1 16 4345 1 1 2 ALA HB1 H -12.481 1.533 2.791 1.00 . A A . 2 ALA HB1 1 1 16 4346 1 1 2 ALA HB2 H -11.899 0.951 1.232 1.00 . A A . 2 ALA HB2 1 1 16 4347 1 1 2 ALA HB3 H -10.764 1.623 2.402 1.00 . A A . 2 ALA HB3 1 1 16 4348 1 1 2 ALA N N -12.118 -0.301 4.216 1.00 . A A . 2 ALA N 1 1 16 4349 1 1 2 ALA O O -9.479 -1.681 2.617 1.00 . A A . 2 ALA O 1 1 16 4350 1 1 3 THR C C -7.095 -0.321 2.511 1.00 . A A . 3 THR C 1 1 16 4351 1 1 3 THR CA C -7.765 0.025 3.843 1.00 . A A . 3 THR CA 1 1 16 4352 1 1 3 THR CB C -7.664 -1.149 4.820 1.00 . A A . 3 THR CB 1 1 16 4353 1 1 3 THR CG2 C -6.232 -1.256 5.347 1.00 . A A . 3 THR CG2 1 1 16 4354 1 1 3 THR H H -9.647 1.071 3.980 1.00 . A A . 3 THR H 1 1 16 4355 1 1 3 THR HA H -7.308 0.901 4.272 1.00 . A A . 3 THR HA 1 1 16 4356 1 1 3 THR HB H -7.925 -2.065 4.312 1.00 . A A . 3 THR HB 1 1 16 4357 1 1 3 THR HG1 H -8.965 -1.780 6.121 1.00 . A A . 3 THR HG1 1 1 16 4358 1 1 3 THR HG21 H -5.537 -1.127 4.532 1.00 . A A . 3 THR HG21 1 1 16 4359 1 1 3 THR HG22 H -6.086 -2.228 5.795 1.00 . A A . 3 THR HG22 1 1 16 4360 1 1 3 THR HG23 H -6.064 -0.489 6.089 1.00 . A A . 3 THR HG23 1 1 16 4361 1 1 3 THR N N -9.232 0.248 3.649 1.00 . A A . 3 THR N 1 1 16 4362 1 1 3 THR O O -6.285 -1.224 2.429 1.00 . A A . 3 THR O 1 1 16 4363 1 1 3 THR OG1 O -8.556 -0.939 5.905 1.00 . A A . 3 THR OG1 1 1 16 4364 1 1 4 LEU C C -5.462 0.812 0.034 1.00 . A A . 4 LEU C 1 1 16 4365 1 1 4 LEU CA C -6.813 0.108 0.146 1.00 . A A . 4 LEU CA 1 1 16 4366 1 1 4 LEU CB C -7.801 0.661 -0.882 1.00 . A A . 4 LEU CB 1 1 16 4367 1 1 4 LEU CD1 C -10.249 0.580 -1.373 1.00 . A A . 4 LEU CD1 1 1 16 4368 1 1 4 LEU CD2 C -8.792 -1.363 -1.957 1.00 . A A . 4 LEU CD2 1 1 16 4369 1 1 4 LEU CG C -9.034 -0.243 -0.943 1.00 . A A . 4 LEU CG 1 1 16 4370 1 1 4 LEU H H -8.079 1.109 1.558 1.00 . A A . 4 LEU H 1 1 16 4371 1 1 4 LEU HA H -6.693 -0.951 0.014 1.00 . A A . 4 LEU HA 1 1 16 4372 1 1 4 LEU HB2 H -8.100 1.659 -0.593 1.00 . A A . 4 LEU HB2 1 1 16 4373 1 1 4 LEU HB3 H -7.331 0.691 -1.853 1.00 . A A . 4 LEU HB3 1 1 16 4374 1 1 4 LEU HD11 H -10.115 1.608 -1.067 1.00 . A A . 4 LEU HD11 1 1 16 4375 1 1 4 LEU HD12 H -11.138 0.179 -0.909 1.00 . A A . 4 LEU HD12 1 1 16 4376 1 1 4 LEU HD13 H -10.353 0.535 -2.447 1.00 . A A . 4 LEU HD13 1 1 16 4377 1 1 4 LEU HD21 H -9.515 -2.151 -1.802 1.00 . A A . 4 LEU HD21 1 1 16 4378 1 1 4 LEU HD22 H -7.795 -1.758 -1.828 1.00 . A A . 4 LEU HD22 1 1 16 4379 1 1 4 LEU HD23 H -8.897 -0.971 -2.958 1.00 . A A . 4 LEU HD23 1 1 16 4380 1 1 4 LEU HG H -9.215 -0.670 0.033 1.00 . A A . 4 LEU HG 1 1 16 4381 1 1 4 LEU N N -7.427 0.390 1.469 1.00 . A A . 4 LEU N 1 1 16 4382 1 1 4 LEU O O -4.454 0.187 -0.226 1.00 . A A . 4 LEU O 1 1 16 4383 1 1 5 GLU C C -3.130 2.195 1.117 1.00 . A A . 5 GLU C 1 1 16 4384 1 1 5 GLU CA C -4.122 2.824 0.145 1.00 . A A . 5 GLU CA 1 1 16 4385 1 1 5 GLU CB C -4.428 4.273 0.530 1.00 . A A . 5 GLU CB 1 1 16 4386 1 1 5 GLU CD C -4.131 6.560 -0.433 1.00 . A A . 5 GLU CD 1 1 16 4387 1 1 5 GLU CG C -4.559 5.121 -0.735 1.00 . A A . 5 GLU CG 1 1 16 4388 1 1 5 GLU H H -6.244 2.592 0.451 1.00 . A A . 5 GLU H 1 1 16 4389 1 1 5 GLU HA H -3.737 2.772 -0.857 1.00 . A A . 5 GLU HA 1 1 16 4390 1 1 5 GLU HB2 H -5.353 4.309 1.088 1.00 . A A . 5 GLU HB2 1 1 16 4391 1 1 5 GLU HB3 H -3.624 4.660 1.139 1.00 . A A . 5 GLU HB3 1 1 16 4392 1 1 5 GLU HG2 H -3.928 4.713 -1.510 1.00 . A A . 5 GLU HG2 1 1 16 4393 1 1 5 GLU HG3 H -5.587 5.118 -1.067 1.00 . A A . 5 GLU HG3 1 1 16 4394 1 1 5 GLU N N -5.425 2.103 0.236 1.00 . A A . 5 GLU N 1 1 16 4395 1 1 5 GLU O O -1.957 2.070 0.829 1.00 . A A . 5 GLU O 1 1 16 4396 1 1 5 GLU OE1 O -4.576 7.091 0.570 1.00 . A A . 5 GLU OE1 1 1 16 4397 1 1 5 GLU OE2 O -3.365 7.103 -1.212 1.00 . A A . 5 GLU OE2 1 1 16 4398 1 1 6 LYS C C -2.144 -0.179 2.599 1.00 . A A . 6 LYS C 1 1 16 4399 1 1 6 LYS CA C -2.693 1.106 3.226 1.00 . A A . 6 LYS CA 1 1 16 4400 1 1 6 LYS CB C -3.562 0.787 4.446 1.00 . A A . 6 LYS CB 1 1 16 4401 1 1 6 LYS CD C -2.799 2.777 5.752 1.00 . A A . 6 LYS CD 1 1 16 4402 1 1 6 LYS CE C -2.604 3.250 7.194 1.00 . A A . 6 LYS CE 1 1 16 4403 1 1 6 LYS CG C -2.848 1.248 5.718 1.00 . A A . 6 LYS CG 1 1 16 4404 1 1 6 LYS H H -4.555 1.853 2.456 1.00 . A A . 6 LYS H 1 1 16 4405 1 1 6 LYS HA H -1.891 1.770 3.500 1.00 . A A . 6 LYS HA 1 1 16 4406 1 1 6 LYS HB2 H -4.509 1.301 4.359 1.00 . A A . 6 LYS HB2 1 1 16 4407 1 1 6 LYS HB3 H -3.734 -0.276 4.499 1.00 . A A . 6 LYS HB3 1 1 16 4408 1 1 6 LYS HD2 H -1.976 3.124 5.143 1.00 . A A . 6 LYS HD2 1 1 16 4409 1 1 6 LYS HD3 H -3.726 3.175 5.366 1.00 . A A . 6 LYS HD3 1 1 16 4410 1 1 6 LYS HE2 H -2.926 2.485 7.887 1.00 . A A . 6 LYS HE2 1 1 16 4411 1 1 6 LYS HE3 H -1.572 3.509 7.369 1.00 . A A . 6 LYS HE3 1 1 16 4412 1 1 6 LYS HG2 H -3.383 0.884 6.584 1.00 . A A . 6 LYS HG2 1 1 16 4413 1 1 6 LYS HG3 H -1.841 0.857 5.727 1.00 . A A . 6 LYS HG3 1 1 16 4414 1 1 6 LYS HZ1 H -3.252 4.944 8.214 1.00 . A A . 6 LYS HZ1 1 1 16 4415 1 1 6 LYS HZ2 H -4.463 4.181 7.304 1.00 . A A . 6 LYS HZ2 1 1 16 4416 1 1 6 LYS HZ3 H -3.271 5.105 6.523 1.00 . A A . 6 LYS HZ3 1 1 16 4417 1 1 6 LYS N N -3.602 1.765 2.255 1.00 . A A . 6 LYS N 1 1 16 4418 1 1 6 LYS NZ N -3.462 4.461 7.318 1.00 . A A . 6 LYS NZ 1 1 16 4419 1 1 6 LYS O O -1.183 -0.754 3.074 1.00 . A A . 6 LYS O 1 1 16 4420 1 1 7 LEU C C -1.319 -1.488 -0.292 1.00 . A A . 7 LEU C 1 1 16 4421 1 1 7 LEU CA C -2.269 -1.862 0.855 1.00 . A A . 7 LEU CA 1 1 16 4422 1 1 7 LEU CB C -3.552 -2.558 0.355 1.00 . A A . 7 LEU CB 1 1 16 4423 1 1 7 LEU CD1 C -2.961 -3.366 -1.937 1.00 . A A . 7 LEU CD1 1 1 16 4424 1 1 7 LEU CD2 C -5.249 -2.472 -1.482 1.00 . A A . 7 LEU CD2 1 1 16 4425 1 1 7 LEU CG C -3.761 -2.328 -1.147 1.00 . A A . 7 LEU CG 1 1 16 4426 1 1 7 LEU H H -3.516 -0.150 1.152 1.00 . A A . 7 LEU H 1 1 16 4427 1 1 7 LEU HA H -1.767 -2.488 1.567 1.00 . A A . 7 LEU HA 1 1 16 4428 1 1 7 LEU HB2 H -3.478 -3.618 0.544 1.00 . A A . 7 LEU HB2 1 1 16 4429 1 1 7 LEU HB3 H -4.401 -2.161 0.894 1.00 . A A . 7 LEU HB3 1 1 16 4430 1 1 7 LEU HD11 H -2.608 -2.924 -2.857 1.00 . A A . 7 LEU HD11 1 1 16 4431 1 1 7 LEU HD12 H -3.592 -4.212 -2.162 1.00 . A A . 7 LEU HD12 1 1 16 4432 1 1 7 LEU HD13 H -2.118 -3.693 -1.347 1.00 . A A . 7 LEU HD13 1 1 16 4433 1 1 7 LEU HD21 H -5.688 -1.492 -1.597 1.00 . A A . 7 LEU HD21 1 1 16 4434 1 1 7 LEU HD22 H -5.749 -2.999 -0.684 1.00 . A A . 7 LEU HD22 1 1 16 4435 1 1 7 LEU HD23 H -5.359 -3.025 -2.403 1.00 . A A . 7 LEU HD23 1 1 16 4436 1 1 7 LEU HG H -3.425 -1.337 -1.412 1.00 . A A . 7 LEU HG 1 1 16 4437 1 1 7 LEU N N -2.748 -0.628 1.524 1.00 . A A . 7 LEU N 1 1 16 4438 1 1 7 LEU O O -0.463 -2.258 -0.680 1.00 . A A . 7 LEU O 1 1 16 4439 1 1 8 MET C C 0.637 0.861 -1.387 1.00 . A A . 8 MET C 1 1 16 4440 1 1 8 MET CA C -0.590 0.139 -1.942 1.00 . A A . 8 MET CA 1 1 16 4441 1 1 8 MET CB C -1.452 1.096 -2.768 1.00 . A A . 8 MET CB 1 1 16 4442 1 1 8 MET CE C -1.753 -1.703 -5.274 1.00 . A A . 8 MET CE 1 1 16 4443 1 1 8 MET CG C -1.298 0.773 -4.257 1.00 . A A . 8 MET CG 1 1 16 4444 1 1 8 MET H H -2.163 0.294 -0.499 1.00 . A A . 8 MET H 1 1 16 4445 1 1 8 MET HA H -0.293 -0.702 -2.539 1.00 . A A . 8 MET HA 1 1 16 4446 1 1 8 MET HB2 H -2.488 0.987 -2.479 1.00 . A A . 8 MET HB2 1 1 16 4447 1 1 8 MET HB3 H -1.135 2.112 -2.588 1.00 . A A . 8 MET HB3 1 1 16 4448 1 1 8 MET HE1 H -0.807 -1.701 -4.752 1.00 . A A . 8 MET HE1 1 1 16 4449 1 1 8 MET HE2 H -1.582 -1.696 -6.342 1.00 . A A . 8 MET HE2 1 1 16 4450 1 1 8 MET HE3 H -2.307 -2.588 -5.006 1.00 . A A . 8 MET HE3 1 1 16 4451 1 1 8 MET HG2 H -1.271 1.693 -4.823 1.00 . A A . 8 MET HG2 1 1 16 4452 1 1 8 MET HG3 H -0.379 0.228 -4.414 1.00 . A A . 8 MET HG3 1 1 16 4453 1 1 8 MET N N -1.469 -0.305 -0.829 1.00 . A A . 8 MET N 1 1 16 4454 1 1 8 MET O O 1.757 0.589 -1.773 1.00 . A A . 8 MET O 1 1 16 4455 1 1 8 MET SD S -2.699 -0.233 -4.809 1.00 . A A . 8 MET SD 1 1 16 4456 1 1 9 LYS C C 2.638 1.538 0.634 1.00 . A A . 9 LYS C 1 1 16 4457 1 1 9 LYS CA C 1.591 2.523 0.106 1.00 . A A . 9 LYS CA 1 1 16 4458 1 1 9 LYS CB C 1.001 3.346 1.255 1.00 . A A . 9 LYS CB 1 1 16 4459 1 1 9 LYS CD C -0.099 5.359 0.265 1.00 . A A . 9 LYS CD 1 1 16 4460 1 1 9 LYS CE C 0.281 6.438 -0.752 1.00 . A A . 9 LYS CE 1 1 16 4461 1 1 9 LYS CG C 1.163 4.837 0.952 1.00 . A A . 9 LYS CG 1 1 16 4462 1 1 9 LYS H H -0.477 1.982 -0.184 1.00 . A A . 9 LYS H 1 1 16 4463 1 1 9 LYS HA H 2.030 3.177 -0.630 1.00 . A A . 9 LYS HA 1 1 16 4464 1 1 9 LYS HB2 H -0.048 3.114 1.365 1.00 . A A . 9 LYS HB2 1 1 16 4465 1 1 9 LYS HB3 H 1.520 3.110 2.172 1.00 . A A . 9 LYS HB3 1 1 16 4466 1 1 9 LYS HD2 H -0.596 4.545 -0.242 1.00 . A A . 9 LYS HD2 1 1 16 4467 1 1 9 LYS HD3 H -0.763 5.782 1.004 1.00 . A A . 9 LYS HD3 1 1 16 4468 1 1 9 LYS HE2 H 1.268 6.825 -0.537 1.00 . A A . 9 LYS HE2 1 1 16 4469 1 1 9 LYS HE3 H 0.242 6.041 -1.755 1.00 . A A . 9 LYS HE3 1 1 16 4470 1 1 9 LYS HG2 H 1.322 5.377 1.875 1.00 . A A . 9 LYS HG2 1 1 16 4471 1 1 9 LYS HG3 H 2.012 4.982 0.300 1.00 . A A . 9 LYS HG3 1 1 16 4472 1 1 9 LYS HZ1 H -1.695 7.090 -0.678 1.00 . A A . 9 LYS HZ1 1 1 16 4473 1 1 9 LYS HZ2 H -0.614 8.231 -1.317 1.00 . A A . 9 LYS HZ2 1 1 16 4474 1 1 9 LYS HZ3 H -0.646 7.936 0.356 1.00 . A A . 9 LYS HZ3 1 1 16 4475 1 1 9 LYS N N 0.435 1.781 -0.480 1.00 . A A . 9 LYS N 1 1 16 4476 1 1 9 LYS NZ N -0.746 7.504 -0.586 1.00 . A A . 9 LYS NZ 1 1 16 4477 1 1 9 LYS O O 3.806 1.851 0.722 1.00 . A A . 9 LYS O 1 1 16 4478 1 1 10 ALA C C 4.061 -1.195 0.367 1.00 . A A . 10 ALA C 1 1 16 4479 1 1 10 ALA CA C 3.194 -0.653 1.503 1.00 . A A . 10 ALA CA 1 1 16 4480 1 1 10 ALA CB C 2.331 -1.769 2.093 1.00 . A A . 10 ALA CB 1 1 16 4481 1 1 10 ALA H H 1.281 0.119 0.905 1.00 . A A . 10 ALA H 1 1 16 4482 1 1 10 ALA HA H 3.810 -0.216 2.270 1.00 . A A . 10 ALA HA 1 1 16 4483 1 1 10 ALA HB1 H 1.348 -1.738 1.647 1.00 . A A . 10 ALA HB1 1 1 16 4484 1 1 10 ALA HB2 H 2.246 -1.633 3.161 1.00 . A A . 10 ALA HB2 1 1 16 4485 1 1 10 ALA HB3 H 2.789 -2.726 1.887 1.00 . A A . 10 ALA HB3 1 1 16 4486 1 1 10 ALA N N 2.225 0.350 0.983 1.00 . A A . 10 ALA N 1 1 16 4487 1 1 10 ALA O O 5.238 -1.434 0.534 1.00 . A A . 10 ALA O 1 1 16 4488 1 1 11 PHE C C 5.302 -0.891 -2.407 1.00 . A A . 11 PHE C 1 1 16 4489 1 1 11 PHE CA C 4.290 -1.933 -1.922 1.00 . A A . 11 PHE CA 1 1 16 4490 1 1 11 PHE CB C 3.263 -2.242 -3.014 1.00 . A A . 11 PHE CB 1 1 16 4491 1 1 11 PHE CD1 C 2.378 -3.919 -1.320 1.00 . A A . 11 PHE CD1 1 1 16 4492 1 1 11 PHE CD2 C 0.953 -3.242 -3.162 1.00 . A A . 11 PHE CD2 1 1 16 4493 1 1 11 PHE CE1 C 1.363 -4.756 -0.842 1.00 . A A . 11 PHE CE1 1 1 16 4494 1 1 11 PHE CE2 C -0.060 -4.080 -2.685 1.00 . A A . 11 PHE CE2 1 1 16 4495 1 1 11 PHE CG C 2.174 -3.158 -2.483 1.00 . A A . 11 PHE CG 1 1 16 4496 1 1 11 PHE CZ C 0.144 -4.836 -1.525 1.00 . A A . 11 PHE CZ 1 1 16 4497 1 1 11 PHE H H 2.539 -1.205 -0.909 1.00 . A A . 11 PHE H 1 1 16 4498 1 1 11 PHE HA H 4.798 -2.834 -1.629 1.00 . A A . 11 PHE HA 1 1 16 4499 1 1 11 PHE HB2 H 2.814 -1.318 -3.348 1.00 . A A . 11 PHE HB2 1 1 16 4500 1 1 11 PHE HB3 H 3.757 -2.720 -3.844 1.00 . A A . 11 PHE HB3 1 1 16 4501 1 1 11 PHE HD1 H 3.318 -3.860 -0.792 1.00 . A A . 11 PHE HD1 1 1 16 4502 1 1 11 PHE HD2 H 0.794 -2.659 -4.058 1.00 . A A . 11 PHE HD2 1 1 16 4503 1 1 11 PHE HE1 H 1.519 -5.338 0.054 1.00 . A A . 11 PHE HE1 1 1 16 4504 1 1 11 PHE HE2 H -1.001 -4.142 -3.211 1.00 . A A . 11 PHE HE2 1 1 16 4505 1 1 11 PHE HZ H -0.640 -5.482 -1.157 1.00 . A A . 11 PHE HZ 1 1 16 4506 1 1 11 PHE N N 3.491 -1.398 -0.787 1.00 . A A . 11 PHE N 1 1 16 4507 1 1 11 PHE O O 6.186 -1.189 -3.186 1.00 . A A . 11 PHE O 1 1 16 4508 1 1 12 GLU C C 6.861 1.998 -1.205 1.00 . A A . 12 GLU C 1 1 16 4509 1 1 12 GLU CA C 6.131 1.386 -2.404 1.00 . A A . 12 GLU CA 1 1 16 4510 1 1 12 GLU CB C 5.253 2.442 -3.071 1.00 . A A . 12 GLU CB 1 1 16 4511 1 1 12 GLU CD C 6.482 3.512 -4.966 1.00 . A A . 12 GLU CD 1 1 16 4512 1 1 12 GLU CG C 5.478 2.424 -4.582 1.00 . A A . 12 GLU CG 1 1 16 4513 1 1 12 GLU H H 4.453 0.553 -1.338 1.00 . A A . 12 GLU H 1 1 16 4514 1 1 12 GLU HA H 6.837 0.988 -3.114 1.00 . A A . 12 GLU HA 1 1 16 4515 1 1 12 GLU HB2 H 4.215 2.230 -2.858 1.00 . A A . 12 GLU HB2 1 1 16 4516 1 1 12 GLU HB3 H 5.507 3.415 -2.680 1.00 . A A . 12 GLU HB3 1 1 16 4517 1 1 12 GLU HG2 H 5.862 1.458 -4.878 1.00 . A A . 12 GLU HG2 1 1 16 4518 1 1 12 GLU HG3 H 4.542 2.607 -5.084 1.00 . A A . 12 GLU HG3 1 1 16 4519 1 1 12 GLU N N 5.177 0.329 -1.959 1.00 . A A . 12 GLU N 1 1 16 4520 1 1 12 GLU O O 8.041 2.285 -1.263 1.00 . A A . 12 GLU O 1 1 16 4521 1 1 12 GLU OE1 O 6.386 4.599 -4.418 1.00 . A A . 12 GLU OE1 1 1 16 4522 1 1 12 GLU OE2 O 7.329 3.242 -5.800 1.00 . A A . 12 GLU OE2 1 1 16 4523 1 1 13 SER C C 7.560 1.812 1.890 1.00 . A A . 13 SER C 1 1 16 4524 1 1 13 SER CA C 6.794 2.846 1.066 1.00 . A A . 13 SER CA 1 1 16 4525 1 1 13 SER CB C 5.641 3.432 1.877 1.00 . A A . 13 SER CB 1 1 16 4526 1 1 13 SER H H 5.206 2.002 -0.118 1.00 . A A . 13 SER H 1 1 16 4527 1 1 13 SER HA H 7.452 3.630 0.756 1.00 . A A . 13 SER HA 1 1 16 4528 1 1 13 SER HB2 H 5.099 2.638 2.364 1.00 . A A . 13 SER HB2 1 1 16 4529 1 1 13 SER HB3 H 6.035 4.107 2.626 1.00 . A A . 13 SER HB3 1 1 16 4530 1 1 13 SER HG H 4.864 5.071 1.174 1.00 . A A . 13 SER HG 1 1 16 4531 1 1 13 SER N N 6.157 2.225 -0.130 1.00 . A A . 13 SER N 1 1 16 4532 1 1 13 SER O O 8.486 2.143 2.604 1.00 . A A . 13 SER O 1 1 16 4533 1 1 13 SER OG O 4.762 4.132 1.007 1.00 . A A . 13 SER OG 1 1 16 4534 1 1 14 LEU C C 9.411 -0.391 2.363 1.00 . A A . 14 LEU C 1 1 16 4535 1 1 14 LEU CA C 7.898 -0.483 2.599 1.00 . A A . 14 LEU CA 1 1 16 4536 1 1 14 LEU CB C 7.350 -1.820 2.091 1.00 . A A . 14 LEU CB 1 1 16 4537 1 1 14 LEU CD1 C 7.890 -2.983 4.239 1.00 . A A . 14 LEU CD1 1 1 16 4538 1 1 14 LEU CD2 C 7.641 -4.302 2.134 1.00 . A A . 14 LEU CD2 1 1 16 4539 1 1 14 LEU CG C 8.125 -2.977 2.727 1.00 . A A . 14 LEU CG 1 1 16 4540 1 1 14 LEU H H 6.428 0.326 1.225 1.00 . A A . 14 LEU H 1 1 16 4541 1 1 14 LEU HA H 7.677 -0.372 3.647 1.00 . A A . 14 LEU HA 1 1 16 4542 1 1 14 LEU HB2 H 6.307 -1.902 2.356 1.00 . A A . 14 LEU HB2 1 1 16 4543 1 1 14 LEU HB3 H 7.455 -1.868 1.018 1.00 . A A . 14 LEU HB3 1 1 16 4544 1 1 14 LEU HD11 H 8.003 -3.988 4.617 1.00 . A A . 14 LEU HD11 1 1 16 4545 1 1 14 LEU HD12 H 6.890 -2.631 4.449 1.00 . A A . 14 LEU HD12 1 1 16 4546 1 1 14 LEU HD13 H 8.607 -2.334 4.717 1.00 . A A . 14 LEU HD13 1 1 16 4547 1 1 14 LEU HD21 H 8.041 -4.417 1.136 1.00 . A A . 14 LEU HD21 1 1 16 4548 1 1 14 LEU HD22 H 6.562 -4.304 2.091 1.00 . A A . 14 LEU HD22 1 1 16 4549 1 1 14 LEU HD23 H 7.979 -5.119 2.753 1.00 . A A . 14 LEU HD23 1 1 16 4550 1 1 14 LEU HG H 9.181 -2.857 2.529 1.00 . A A . 14 LEU HG 1 1 16 4551 1 1 14 LEU N N 7.182 0.568 1.805 1.00 . A A . 14 LEU N 1 1 16 4552 1 1 14 LEU O O 10.162 -0.012 3.241 1.00 . A A . 14 LEU O 1 1 16 4553 1 1 15 LYS C C 11.587 0.023 -0.442 1.00 . A A . 15 LYS C 1 1 16 4554 1 1 15 LYS CA C 11.327 -0.667 0.902 1.00 . A A . 15 LYS CA 1 1 16 4555 1 1 15 LYS CB C 11.788 -2.123 0.853 1.00 . A A . 15 LYS CB 1 1 16 4556 1 1 15 LYS CD C 13.971 -2.892 -0.098 1.00 . A A . 15 LYS CD 1 1 16 4557 1 1 15 LYS CE C 15.486 -2.918 0.114 1.00 . A A . 15 LYS CE 1 1 16 4558 1 1 15 LYS CG C 13.302 -2.188 1.084 1.00 . A A . 15 LYS CG 1 1 16 4559 1 1 15 LYS H H 9.242 -1.040 0.494 1.00 . A A . 15 LYS H 1 1 16 4560 1 1 15 LYS HA H 11.838 -0.149 1.695 1.00 . A A . 15 LYS HA 1 1 16 4561 1 1 15 LYS HB2 H 11.281 -2.686 1.624 1.00 . A A . 15 LYS HB2 1 1 16 4562 1 1 15 LYS HB3 H 11.553 -2.543 -0.113 1.00 . A A . 15 LYS HB3 1 1 16 4563 1 1 15 LYS HD2 H 13.597 -3.904 -0.171 1.00 . A A . 15 LYS HD2 1 1 16 4564 1 1 15 LYS HD3 H 13.746 -2.359 -1.009 1.00 . A A . 15 LYS HD3 1 1 16 4565 1 1 15 LYS HE2 H 15.805 -2.030 0.643 1.00 . A A . 15 LYS HE2 1 1 16 4566 1 1 15 LYS HE3 H 15.775 -3.805 0.657 1.00 . A A . 15 LYS HE3 1 1 16 4567 1 1 15 LYS HG2 H 13.696 -1.186 1.176 1.00 . A A . 15 LYS HG2 1 1 16 4568 1 1 15 LYS HG3 H 13.504 -2.739 1.990 1.00 . A A . 15 LYS HG3 1 1 16 4569 1 1 15 LYS HZ1 H 17.102 -2.910 -1.197 1.00 . A A . 15 LYS HZ1 1 1 16 4570 1 1 15 LYS HZ2 H 15.722 -2.127 -1.796 1.00 . A A . 15 LYS HZ2 1 1 16 4571 1 1 15 LYS HZ3 H 15.776 -3.824 -1.736 1.00 . A A . 15 LYS HZ3 1 1 16 4572 1 1 15 LYS N N 9.863 -0.735 1.186 1.00 . A A . 15 LYS N 1 1 16 4573 1 1 15 LYS NZ N 16.065 -2.948 -1.257 1.00 . A A . 15 LYS NZ 1 1 16 4574 1 1 15 LYS O O 12.615 0.639 -0.641 1.00 . A A . 15 LYS O 1 1 16 4575 1 1 16 SER C C 11.031 2.082 -2.553 1.00 . A A . 16 SER C 1 1 16 4576 1 1 16 SER CA C 10.866 0.565 -2.697 1.00 . A A . 16 SER CA 1 1 16 4577 1 1 16 SER CB C 9.601 0.238 -3.490 1.00 . A A . 16 SER CB 1 1 16 4578 1 1 16 SER H H 9.850 -0.585 -1.187 1.00 . A A . 16 SER H 1 1 16 4579 1 1 16 SER HA H 11.723 0.142 -3.188 1.00 . A A . 16 SER HA 1 1 16 4580 1 1 16 SER HB2 H 9.083 -0.583 -3.023 1.00 . A A . 16 SER HB2 1 1 16 4581 1 1 16 SER HB3 H 8.954 1.106 -3.508 1.00 . A A . 16 SER HB3 1 1 16 4582 1 1 16 SER HG H 9.485 0.445 -5.421 1.00 . A A . 16 SER HG 1 1 16 4583 1 1 16 SER N N 10.668 -0.079 -1.366 1.00 . A A . 16 SER N 1 1 16 4584 1 1 16 SER O O 11.466 2.754 -3.469 1.00 . A A . 16 SER O 1 1 16 4585 1 1 16 SER OG O 9.961 -0.127 -4.815 1.00 . A A . 16 SER OG 1 1 16 4586 1 1 17 PHE C C 12.224 4.579 -1.612 1.00 . A A . 17 PHE C 1 1 16 4587 1 1 17 PHE CA C 10.817 4.107 -1.221 1.00 . A A . 17 PHE CA 1 1 16 4588 1 1 17 PHE CB C 10.556 4.340 0.274 1.00 . A A . 17 PHE CB 1 1 16 4589 1 1 17 PHE CD1 C 12.842 4.645 1.295 1.00 . A A . 17 PHE CD1 1 1 16 4590 1 1 17 PHE CD2 C 11.677 2.550 1.659 1.00 . A A . 17 PHE CD2 1 1 16 4591 1 1 17 PHE CE1 C 13.920 4.179 2.057 1.00 . A A . 17 PHE CE1 1 1 16 4592 1 1 17 PHE CE2 C 12.755 2.085 2.422 1.00 . A A . 17 PHE CE2 1 1 16 4593 1 1 17 PHE CG C 11.721 3.831 1.096 1.00 . A A . 17 PHE CG 1 1 16 4594 1 1 17 PHE CZ C 13.876 2.898 2.620 1.00 . A A . 17 PHE CZ 1 1 16 4595 1 1 17 PHE H H 10.330 2.073 -0.694 1.00 . A A . 17 PHE H 1 1 16 4596 1 1 17 PHE HA H 10.075 4.628 -1.805 1.00 . A A . 17 PHE HA 1 1 16 4597 1 1 17 PHE HB2 H 10.426 5.397 0.454 1.00 . A A . 17 PHE HB2 1 1 16 4598 1 1 17 PHE HB3 H 9.657 3.815 0.565 1.00 . A A . 17 PHE HB3 1 1 16 4599 1 1 17 PHE HD1 H 12.877 5.634 0.861 1.00 . A A . 17 PHE HD1 1 1 16 4600 1 1 17 PHE HD2 H 10.812 1.922 1.506 1.00 . A A . 17 PHE HD2 1 1 16 4601 1 1 17 PHE HE1 H 14.784 4.807 2.210 1.00 . A A . 17 PHE HE1 1 1 16 4602 1 1 17 PHE HE2 H 12.722 1.097 2.857 1.00 . A A . 17 PHE HE2 1 1 16 4603 1 1 17 PHE HZ H 14.707 2.539 3.208 1.00 . A A . 17 PHE HZ 1 1 16 4604 1 1 17 PHE N N 10.683 2.631 -1.417 1.00 . A A . 17 PHE N 1 1 16 4605 1 1 17 PHE O O 13.205 3.919 -1.327 1.00 . A A . 17 PHE O 1 1 16 4606 1 1 18 NH2 HN1 H 13.257 6.015 -2.513 1.00 . A A . 18 NH2 HN1 1 1 16 4607 1 1 18 NH2 HN2 H 11.575 6.238 -2.488 1.00 . A A . 18 NH2 HN2 1 1 16 4608 1 1 18 NH2 N N 12.364 5.704 -2.258 1.00 . A A . 18 NH2 N 1 1 17 4609 1 1 1 MET C C -13.116 -1.771 3.647 1.00 . A A . 1 MET C 1 1 17 4610 1 1 1 MET CA C -13.839 -1.491 4.967 1.00 . A A . 1 MET CA 1 1 17 4611 1 1 1 MET CB C -14.313 -0.040 5.020 1.00 . A A . 1 MET CB 1 1 17 4612 1 1 1 MET CE C -15.688 2.751 6.645 1.00 . A A . 1 MET CE 1 1 17 4613 1 1 1 MET CG C -15.380 0.110 6.106 1.00 . A A . 1 MET CG 1 1 17 4614 1 1 1 MET H1 H -13.427 -1.611 7.006 1.00 . A A . 1 MET H1 1 1 17 4615 1 1 1 MET H2 H -12.210 -0.850 6.096 1.00 . A A . 1 MET H2 1 1 17 4616 1 1 1 MET H3 H -12.389 -2.538 6.036 1.00 . A A . 1 MET H3 1 1 17 4617 1 1 1 MET HA H -14.679 -2.157 5.087 1.00 . A A . 1 MET HA 1 1 17 4618 1 1 1 MET HB2 H -13.475 0.604 5.248 1.00 . A A . 1 MET HB2 1 1 17 4619 1 1 1 MET HB3 H -14.733 0.238 4.065 1.00 . A A . 1 MET HB3 1 1 17 4620 1 1 1 MET HE1 H -15.680 3.676 6.084 1.00 . A A . 1 MET HE1 1 1 17 4621 1 1 1 MET HE2 H -14.673 2.449 6.864 1.00 . A A . 1 MET HE2 1 1 17 4622 1 1 1 MET HE3 H -16.224 2.897 7.568 1.00 . A A . 1 MET HE3 1 1 17 4623 1 1 1 MET HG2 H -15.941 -0.810 6.189 1.00 . A A . 1 MET HG2 1 1 17 4624 1 1 1 MET HG3 H -14.905 0.328 7.051 1.00 . A A . 1 MET HG3 1 1 17 4625 1 1 1 MET N N -12.895 -1.633 6.113 1.00 . A A . 1 MET N 1 1 17 4626 1 1 1 MET O O -13.645 -2.420 2.766 1.00 . A A . 1 MET O 1 1 17 4627 1 1 1 MET SD S -16.500 1.462 5.669 1.00 . A A . 1 MET SD 1 1 17 4628 1 1 2 ALA C C -9.650 -1.387 2.488 1.00 . A A . 2 ALA C 1 1 17 4629 1 1 2 ALA CA C -11.155 -1.524 2.241 1.00 . A A . 2 ALA CA 1 1 17 4630 1 1 2 ALA CB C -11.641 -0.439 1.280 1.00 . A A . 2 ALA CB 1 1 17 4631 1 1 2 ALA H H -11.505 -0.765 4.229 1.00 . A A . 2 ALA H 1 1 17 4632 1 1 2 ALA HA H -11.385 -2.498 1.842 1.00 . A A . 2 ALA HA 1 1 17 4633 1 1 2 ALA HB1 H -12.650 -0.152 1.540 1.00 . A A . 2 ALA HB1 1 1 17 4634 1 1 2 ALA HB2 H -11.626 -0.820 0.270 1.00 . A A . 2 ALA HB2 1 1 17 4635 1 1 2 ALA HB3 H -10.993 0.422 1.350 1.00 . A A . 2 ALA HB3 1 1 17 4636 1 1 2 ALA N N -11.911 -1.286 3.505 1.00 . A A . 2 ALA N 1 1 17 4637 1 1 2 ALA O O -8.869 -2.220 2.069 1.00 . A A . 2 ALA O 1 1 17 4638 1 1 3 THR C C -6.942 -0.406 2.199 1.00 . A A . 3 THR C 1 1 17 4639 1 1 3 THR CA C -7.784 -0.127 3.446 1.00 . A A . 3 THR CA 1 1 17 4640 1 1 3 THR CB C -7.438 -1.115 4.565 1.00 . A A . 3 THR CB 1 1 17 4641 1 1 3 THR CG2 C -8.334 -0.854 5.778 1.00 . A A . 3 THR CG2 1 1 17 4642 1 1 3 THR H H -9.896 0.315 3.483 1.00 . A A . 3 THR H 1 1 17 4643 1 1 3 THR HA H -7.614 0.880 3.785 1.00 . A A . 3 THR HA 1 1 17 4644 1 1 3 THR HB H -6.406 -0.982 4.854 1.00 . A A . 3 THR HB 1 1 17 4645 1 1 3 THR HG1 H -7.005 -2.608 3.398 1.00 . A A . 3 THR HG1 1 1 17 4646 1 1 3 THR HG21 H -8.059 -1.524 6.579 1.00 . A A . 3 THR HG21 1 1 17 4647 1 1 3 THR HG22 H -9.365 -1.023 5.506 1.00 . A A . 3 THR HG22 1 1 17 4648 1 1 3 THR HG23 H -8.211 0.168 6.104 1.00 . A A . 3 THR HG23 1 1 17 4649 1 1 3 THR N N -9.241 -0.340 3.162 1.00 . A A . 3 THR N 1 1 17 4650 1 1 3 THR O O -5.906 -1.037 2.264 1.00 . A A . 3 THR O 1 1 17 4651 1 1 3 THR OG1 O -7.631 -2.445 4.107 1.00 . A A . 3 THR OG1 1 1 17 4652 1 1 4 LEU C C -5.329 0.654 -0.173 1.00 . A A . 4 LEU C 1 1 17 4653 1 1 4 LEU CA C -6.616 -0.167 -0.187 1.00 . A A . 4 LEU CA 1 1 17 4654 1 1 4 LEU CB C -7.539 0.289 -1.318 1.00 . A A . 4 LEU CB 1 1 17 4655 1 1 4 LEU CD1 C -9.890 -0.058 -2.087 1.00 . A A . 4 LEU CD1 1 1 17 4656 1 1 4 LEU CD2 C -8.168 -1.818 -2.502 1.00 . A A . 4 LEU CD2 1 1 17 4657 1 1 4 LEU CG C -8.647 -0.746 -1.521 1.00 . A A . 4 LEU CG 1 1 17 4658 1 1 4 LEU H H -8.220 0.568 1.038 1.00 . A A . 4 LEU H 1 1 17 4659 1 1 4 LEU HA H -6.389 -1.213 -0.294 1.00 . A A . 4 LEU HA 1 1 17 4660 1 1 4 LEU HB2 H -7.977 1.243 -1.062 1.00 . A A . 4 LEU HB2 1 1 17 4661 1 1 4 LEU HB3 H -6.970 0.387 -2.230 1.00 . A A . 4 LEU HB3 1 1 17 4662 1 1 4 LEU HD11 H -9.612 0.545 -2.939 1.00 . A A . 4 LEU HD11 1 1 17 4663 1 1 4 LEU HD12 H -10.330 0.572 -1.328 1.00 . A A . 4 LEU HD12 1 1 17 4664 1 1 4 LEU HD13 H -10.607 -0.805 -2.395 1.00 . A A . 4 LEU HD13 1 1 17 4665 1 1 4 LEU HD21 H -7.736 -1.345 -3.371 1.00 . A A . 4 LEU HD21 1 1 17 4666 1 1 4 LEU HD22 H -9.004 -2.430 -2.804 1.00 . A A . 4 LEU HD22 1 1 17 4667 1 1 4 LEU HD23 H -7.424 -2.438 -2.023 1.00 . A A . 4 LEU HD23 1 1 17 4668 1 1 4 LEU HG H -8.889 -1.203 -0.572 1.00 . A A . 4 LEU HG 1 1 17 4669 1 1 4 LEU N N -7.384 0.064 1.065 1.00 . A A . 4 LEU N 1 1 17 4670 1 1 4 LEU O O -4.251 0.134 -0.382 1.00 . A A . 4 LEU O 1 1 17 4671 1 1 5 GLU C C -3.223 2.205 1.145 1.00 . A A . 5 GLU C 1 1 17 4672 1 1 5 GLU CA C -4.191 2.771 0.112 1.00 . A A . 5 GLU CA 1 1 17 4673 1 1 5 GLU CB C -4.658 4.173 0.509 1.00 . A A . 5 GLU CB 1 1 17 4674 1 1 5 GLU CD C -5.059 6.498 -0.314 1.00 . A A . 5 GLU CD 1 1 17 4675 1 1 5 GLU CG C -4.683 5.074 -0.728 1.00 . A A . 5 GLU CG 1 1 17 4676 1 1 5 GLU H H -6.298 2.338 0.251 1.00 . A A . 5 GLU H 1 1 17 4677 1 1 5 GLU HA H -3.729 2.785 -0.856 1.00 . A A . 5 GLU HA 1 1 17 4678 1 1 5 GLU HB2 H -5.650 4.115 0.933 1.00 . A A . 5 GLU HB2 1 1 17 4679 1 1 5 GLU HB3 H -3.977 4.585 1.238 1.00 . A A . 5 GLU HB3 1 1 17 4680 1 1 5 GLU HG2 H -3.706 5.078 -1.190 1.00 . A A . 5 GLU HG2 1 1 17 4681 1 1 5 GLU HG3 H -5.412 4.701 -1.431 1.00 . A A . 5 GLU HG3 1 1 17 4682 1 1 5 GLU N N -5.424 1.933 0.079 1.00 . A A . 5 GLU N 1 1 17 4683 1 1 5 GLU O O -2.026 2.173 0.937 1.00 . A A . 5 GLU O 1 1 17 4684 1 1 5 GLU OE1 O -5.915 6.639 0.543 1.00 . A A . 5 GLU OE1 1 1 17 4685 1 1 5 GLU OE2 O -4.485 7.424 -0.862 1.00 . A A . 5 GLU OE2 1 1 17 4686 1 1 6 LYS C C -2.197 -0.131 2.698 1.00 . A A . 6 LYS C 1 1 17 4687 1 1 6 LYS CA C -2.853 1.129 3.271 1.00 . A A . 6 LYS CA 1 1 17 4688 1 1 6 LYS CB C -3.778 0.770 4.436 1.00 . A A . 6 LYS CB 1 1 17 4689 1 1 6 LYS CD C -3.155 -0.218 6.657 1.00 . A A . 6 LYS CD 1 1 17 4690 1 1 6 LYS CE C -3.915 0.127 7.940 1.00 . A A . 6 LYS CE 1 1 17 4691 1 1 6 LYS CG C -3.058 1.025 5.765 1.00 . A A . 6 LYS CG 1 1 17 4692 1 1 6 LYS H H -4.705 1.744 2.379 1.00 . A A . 6 LYS H 1 1 17 4693 1 1 6 LYS HA H -2.109 1.838 3.590 1.00 . A A . 6 LYS HA 1 1 17 4694 1 1 6 LYS HB2 H -4.670 1.376 4.384 1.00 . A A . 6 LYS HB2 1 1 17 4695 1 1 6 LYS HB3 H -4.048 -0.274 4.367 1.00 . A A . 6 LYS HB3 1 1 17 4696 1 1 6 LYS HD2 H -3.678 -1.003 6.130 1.00 . A A . 6 LYS HD2 1 1 17 4697 1 1 6 LYS HD3 H -2.162 -0.556 6.912 1.00 . A A . 6 LYS HD3 1 1 17 4698 1 1 6 LYS HE2 H -3.580 -0.500 8.754 1.00 . A A . 6 LYS HE2 1 1 17 4699 1 1 6 LYS HE3 H -3.785 1.170 8.186 1.00 . A A . 6 LYS HE3 1 1 17 4700 1 1 6 LYS HG2 H -2.018 1.250 5.575 1.00 . A A . 6 LYS HG2 1 1 17 4701 1 1 6 LYS HG3 H -3.520 1.863 6.267 1.00 . A A . 6 LYS HG3 1 1 17 4702 1 1 6 LYS HZ1 H -5.918 -0.037 8.486 1.00 . A A . 6 LYS HZ1 1 1 17 4703 1 1 6 LYS HZ2 H -5.441 -1.119 7.269 1.00 . A A . 6 LYS HZ2 1 1 17 4704 1 1 6 LYS HZ3 H -5.675 0.523 6.900 1.00 . A A . 6 LYS HZ3 1 1 17 4705 1 1 6 LYS N N -3.738 1.728 2.243 1.00 . A A . 6 LYS N 1 1 17 4706 1 1 6 LYS NZ N -5.345 -0.147 7.625 1.00 . A A . 6 LYS NZ 1 1 17 4707 1 1 6 LYS O O -1.262 -0.667 3.260 1.00 . A A . 6 LYS O 1 1 17 4708 1 1 7 LEU C C -1.204 -1.447 -0.216 1.00 . A A . 7 LEU C 1 1 17 4709 1 1 7 LEU CA C -2.105 -1.828 0.969 1.00 . A A . 7 LEU CA 1 1 17 4710 1 1 7 LEU CB C -3.327 -2.661 0.534 1.00 . A A . 7 LEU CB 1 1 17 4711 1 1 7 LEU CD1 C -2.612 -3.609 -1.668 1.00 . A A . 7 LEU CD1 1 1 17 4712 1 1 7 LEU CD2 C -4.990 -2.929 -1.319 1.00 . A A . 7 LEU CD2 1 1 17 4713 1 1 7 LEU CG C -3.531 -2.597 -0.985 1.00 . A A . 7 LEU CG 1 1 17 4714 1 1 7 LEU H H -3.443 -0.167 1.141 1.00 . A A . 7 LEU H 1 1 17 4715 1 1 7 LEU HA H -1.542 -2.366 1.705 1.00 . A A . 7 LEU HA 1 1 17 4716 1 1 7 LEU HB2 H -3.180 -3.687 0.828 1.00 . A A . 7 LEU HB2 1 1 17 4717 1 1 7 LEU HB3 H -4.210 -2.275 1.025 1.00 . A A . 7 LEU HB3 1 1 17 4718 1 1 7 LEU HD11 H -2.265 -3.205 -2.607 1.00 . A A . 7 LEU HD11 1 1 17 4719 1 1 7 LEU HD12 H -3.154 -4.526 -1.848 1.00 . A A . 7 LEU HD12 1 1 17 4720 1 1 7 LEU HD13 H -1.765 -3.813 -1.029 1.00 . A A . 7 LEU HD13 1 1 17 4721 1 1 7 LEU HD21 H -5.403 -2.150 -1.942 1.00 . A A . 7 LEU HD21 1 1 17 4722 1 1 7 LEU HD22 H -5.563 -3.002 -0.406 1.00 . A A . 7 LEU HD22 1 1 17 4723 1 1 7 LEU HD23 H -5.034 -3.871 -1.846 1.00 . A A . 7 LEU HD23 1 1 17 4724 1 1 7 LEU HG H -3.298 -1.604 -1.337 1.00 . A A . 7 LEU HG 1 1 17 4725 1 1 7 LEU N N -2.688 -0.608 1.578 1.00 . A A . 7 LEU N 1 1 17 4726 1 1 7 LEU O O -0.302 -2.176 -0.583 1.00 . A A . 7 LEU O 1 1 17 4727 1 1 8 MET C C 0.649 0.821 -1.474 1.00 . A A . 8 MET C 1 1 17 4728 1 1 8 MET CA C -0.616 0.123 -1.971 1.00 . A A . 8 MET CA 1 1 17 4729 1 1 8 MET CB C -1.496 1.098 -2.754 1.00 . A A . 8 MET CB 1 1 17 4730 1 1 8 MET CE C -0.808 2.916 -6.365 1.00 . A A . 8 MET CE 1 1 17 4731 1 1 8 MET CG C -0.799 1.478 -4.062 1.00 . A A . 8 MET CG 1 1 17 4732 1 1 8 MET H H -2.174 0.259 -0.506 1.00 . A A . 8 MET H 1 1 17 4733 1 1 8 MET HA H -0.366 -0.722 -2.585 1.00 . A A . 8 MET HA 1 1 17 4734 1 1 8 MET HB2 H -2.445 0.630 -2.973 1.00 . A A . 8 MET HB2 1 1 17 4735 1 1 8 MET HB3 H -1.660 1.987 -2.165 1.00 . A A . 8 MET HB3 1 1 17 4736 1 1 8 MET HE1 H 0.265 2.797 -6.298 1.00 . A A . 8 MET HE1 1 1 17 4737 1 1 8 MET HE2 H -1.042 3.821 -6.909 1.00 . A A . 8 MET HE2 1 1 17 4738 1 1 8 MET HE3 H -1.227 2.069 -6.884 1.00 . A A . 8 MET HE3 1 1 17 4739 1 1 8 MET HG2 H 0.257 1.617 -3.880 1.00 . A A . 8 MET HG2 1 1 17 4740 1 1 8 MET HG3 H -0.938 0.689 -4.786 1.00 . A A . 8 MET HG3 1 1 17 4741 1 1 8 MET N N -1.447 -0.310 -0.816 1.00 . A A . 8 MET N 1 1 17 4742 1 1 8 MET O O 1.755 0.438 -1.804 1.00 . A A . 8 MET O 1 1 17 4743 1 1 8 MET SD S -1.508 3.015 -4.700 1.00 . A A . 8 MET SD 1 1 17 4744 1 1 9 LYS C C 2.657 1.576 0.509 1.00 . A A . 9 LYS C 1 1 17 4745 1 1 9 LYS CA C 1.680 2.570 -0.134 1.00 . A A . 9 LYS CA 1 1 17 4746 1 1 9 LYS CB C 1.096 3.545 0.903 1.00 . A A . 9 LYS CB 1 1 17 4747 1 1 9 LYS CD C 1.887 2.766 3.145 1.00 . A A . 9 LYS CD 1 1 17 4748 1 1 9 LYS CE C 1.517 3.480 4.448 1.00 . A A . 9 LYS CE 1 1 17 4749 1 1 9 LYS CG C 2.100 3.800 2.034 1.00 . A A . 9 LYS CG 1 1 17 4750 1 1 9 LYS H H -0.410 2.125 -0.415 1.00 . A A . 9 LYS H 1 1 17 4751 1 1 9 LYS HA H 2.171 3.119 -0.921 1.00 . A A . 9 LYS HA 1 1 17 4752 1 1 9 LYS HB2 H 0.861 4.481 0.417 1.00 . A A . 9 LYS HB2 1 1 17 4753 1 1 9 LYS HB3 H 0.193 3.123 1.318 1.00 . A A . 9 LYS HB3 1 1 17 4754 1 1 9 LYS HD2 H 1.089 2.092 2.864 1.00 . A A . 9 LYS HD2 1 1 17 4755 1 1 9 LYS HD3 H 2.797 2.203 3.291 1.00 . A A . 9 LYS HD3 1 1 17 4756 1 1 9 LYS HE2 H 2.294 4.181 4.725 1.00 . A A . 9 LYS HE2 1 1 17 4757 1 1 9 LYS HE3 H 0.570 3.987 4.344 1.00 . A A . 9 LYS HE3 1 1 17 4758 1 1 9 LYS HG2 H 3.106 3.716 1.649 1.00 . A A . 9 LYS HG2 1 1 17 4759 1 1 9 LYS HG3 H 1.948 4.792 2.432 1.00 . A A . 9 LYS HG3 1 1 17 4760 1 1 9 LYS HZ1 H 2.299 1.864 5.500 1.00 . A A . 9 LYS HZ1 1 1 17 4761 1 1 9 LYS HZ2 H 0.634 1.753 5.200 1.00 . A A . 9 LYS HZ2 1 1 17 4762 1 1 9 LYS HZ3 H 1.210 2.813 6.396 1.00 . A A . 9 LYS HZ3 1 1 17 4763 1 1 9 LYS N N 0.492 1.841 -0.671 1.00 . A A . 9 LYS N 1 1 17 4764 1 1 9 LYS NZ N 1.407 2.396 5.462 1.00 . A A . 9 LYS NZ 1 1 17 4765 1 1 9 LYS O O 3.841 1.829 0.601 1.00 . A A . 9 LYS O 1 1 17 4766 1 1 10 ALA C C 4.016 -1.142 0.529 1.00 . A A . 10 ALA C 1 1 17 4767 1 1 10 ALA CA C 3.062 -0.561 1.575 1.00 . A A . 10 ALA CA 1 1 17 4768 1 1 10 ALA CB C 2.127 -1.646 2.105 1.00 . A A . 10 ALA CB 1 1 17 4769 1 1 10 ALA H H 1.210 0.264 0.862 1.00 . A A . 10 ALA H 1 1 17 4770 1 1 10 ALA HA H 3.612 -0.119 2.387 1.00 . A A . 10 ALA HA 1 1 17 4771 1 1 10 ALA HB1 H 1.935 -1.475 3.153 1.00 . A A . 10 ALA HB1 1 1 17 4772 1 1 10 ALA HB2 H 2.590 -2.614 1.975 1.00 . A A . 10 ALA HB2 1 1 17 4773 1 1 10 ALA HB3 H 1.196 -1.616 1.559 1.00 . A A . 10 ALA HB3 1 1 17 4774 1 1 10 ALA N N 2.166 0.448 0.947 1.00 . A A . 10 ALA N 1 1 17 4775 1 1 10 ALA O O 5.182 -1.361 0.793 1.00 . A A . 10 ALA O 1 1 17 4776 1 1 11 PHE C C 5.363 -0.899 -2.250 1.00 . A A . 11 PHE C 1 1 17 4777 1 1 11 PHE CA C 4.398 -1.964 -1.721 1.00 . A A . 11 PHE CA 1 1 17 4778 1 1 11 PHE CB C 3.434 -2.396 -2.830 1.00 . A A . 11 PHE CB 1 1 17 4779 1 1 11 PHE CD1 C 2.574 -4.045 -1.099 1.00 . A A . 11 PHE CD1 1 1 17 4780 1 1 11 PHE CD2 C 1.163 -3.475 -2.988 1.00 . A A . 11 PHE CD2 1 1 17 4781 1 1 11 PHE CE1 C 1.578 -4.902 -0.616 1.00 . A A . 11 PHE CE1 1 1 17 4782 1 1 11 PHE CE2 C 0.169 -4.333 -2.504 1.00 . A A . 11 PHE CE2 1 1 17 4783 1 1 11 PHE CG C 2.367 -3.329 -2.288 1.00 . A A . 11 PHE CG 1 1 17 4784 1 1 11 PHE CZ C 0.376 -5.046 -1.318 1.00 . A A . 11 PHE CZ 1 1 17 4785 1 1 11 PHE H H 2.584 -1.213 -0.848 1.00 . A A . 11 PHE H 1 1 17 4786 1 1 11 PHE HA H 4.942 -2.817 -1.350 1.00 . A A . 11 PHE HA 1 1 17 4787 1 1 11 PHE HB2 H 2.958 -1.519 -3.243 1.00 . A A . 11 PHE HB2 1 1 17 4788 1 1 11 PHE HB3 H 3.989 -2.900 -3.605 1.00 . A A . 11 PHE HB3 1 1 17 4789 1 1 11 PHE HD1 H 3.501 -3.935 -0.556 1.00 . A A . 11 PHE HD1 1 1 17 4790 1 1 11 PHE HD2 H 1.001 -2.926 -3.904 1.00 . A A . 11 PHE HD2 1 1 17 4791 1 1 11 PHE HE1 H 1.737 -5.452 0.300 1.00 . A A . 11 PHE HE1 1 1 17 4792 1 1 11 PHE HE2 H -0.759 -4.444 -3.047 1.00 . A A . 11 PHE HE2 1 1 17 4793 1 1 11 PHE HZ H -0.392 -5.708 -0.945 1.00 . A A . 11 PHE HZ 1 1 17 4794 1 1 11 PHE N N 3.527 -1.395 -0.656 1.00 . A A . 11 PHE N 1 1 17 4795 1 1 11 PHE O O 6.327 -1.204 -2.924 1.00 . A A . 11 PHE O 1 1 17 4796 1 1 12 GLU C C 6.861 1.987 -1.315 1.00 . A A . 12 GLU C 1 1 17 4797 1 1 12 GLU CA C 6.010 1.429 -2.459 1.00 . A A . 12 GLU CA 1 1 17 4798 1 1 12 GLU CB C 5.069 2.508 -3.004 1.00 . A A . 12 GLU CB 1 1 17 4799 1 1 12 GLU CD C 4.208 3.158 -5.259 1.00 . A A . 12 GLU CD 1 1 17 4800 1 1 12 GLU CG C 5.465 2.854 -4.443 1.00 . A A . 12 GLU CG 1 1 17 4801 1 1 12 GLU H H 4.321 0.578 -1.420 1.00 . A A . 12 GLU H 1 1 17 4802 1 1 12 GLU HA H 6.640 1.057 -3.250 1.00 . A A . 12 GLU HA 1 1 17 4803 1 1 12 GLU HB2 H 4.054 2.141 -2.987 1.00 . A A . 12 GLU HB2 1 1 17 4804 1 1 12 GLU HB3 H 5.142 3.394 -2.391 1.00 . A A . 12 GLU HB3 1 1 17 4805 1 1 12 GLU HG2 H 6.112 3.719 -4.440 1.00 . A A . 12 GLU HG2 1 1 17 4806 1 1 12 GLU HG3 H 5.984 2.016 -4.885 1.00 . A A . 12 GLU HG3 1 1 17 4807 1 1 12 GLU N N 5.109 0.350 -1.960 1.00 . A A . 12 GLU N 1 1 17 4808 1 1 12 GLU O O 8.044 2.222 -1.469 1.00 . A A . 12 GLU O 1 1 17 4809 1 1 12 GLU OE1 O 3.546 2.217 -5.665 1.00 . A A . 12 GLU OE1 1 1 17 4810 1 1 12 GLU OE2 O 3.927 4.328 -5.464 1.00 . A A . 12 GLU OE2 1 1 17 4811 1 1 13 SER C C 7.427 1.649 1.951 1.00 . A A . 13 SER C 1 1 17 4812 1 1 13 SER CA C 7.036 2.760 0.973 1.00 . A A . 13 SER CA 1 1 17 4813 1 1 13 SER CB C 6.092 3.758 1.642 1.00 . A A . 13 SER CB 1 1 17 4814 1 1 13 SER H H 5.316 2.024 -0.076 1.00 . A A . 13 SER H 1 1 17 4815 1 1 13 SER HA H 7.909 3.266 0.617 1.00 . A A . 13 SER HA 1 1 17 4816 1 1 13 SER HB2 H 5.453 4.205 0.899 1.00 . A A . 13 SER HB2 1 1 17 4817 1 1 13 SER HB3 H 5.484 3.241 2.373 1.00 . A A . 13 SER HB3 1 1 17 4818 1 1 13 SER HG H 6.357 5.593 2.230 1.00 . A A . 13 SER HG 1 1 17 4819 1 1 13 SER N N 6.267 2.211 -0.175 1.00 . A A . 13 SER N 1 1 17 4820 1 1 13 SER O O 8.358 1.787 2.719 1.00 . A A . 13 SER O 1 1 17 4821 1 1 13 SER OG O 6.857 4.775 2.275 1.00 . A A . 13 SER OG 1 1 17 4822 1 1 14 LEU C C 7.559 -1.779 2.077 1.00 . A A . 14 LEU C 1 1 17 4823 1 1 14 LEU CA C 7.052 -0.563 2.857 1.00 . A A . 14 LEU CA 1 1 17 4824 1 1 14 LEU CB C 5.740 -0.890 3.572 1.00 . A A . 14 LEU CB 1 1 17 4825 1 1 14 LEU CD1 C 5.746 -0.334 6.011 1.00 . A A . 14 LEU CD1 1 1 17 4826 1 1 14 LEU CD2 C 5.168 -2.645 5.261 1.00 . A A . 14 LEU CD2 1 1 17 4827 1 1 14 LEU CG C 6.043 -1.421 4.976 1.00 . A A . 14 LEU CG 1 1 17 4828 1 1 14 LEU H H 5.983 0.462 1.309 1.00 . A A . 14 LEU H 1 1 17 4829 1 1 14 LEU HA H 7.785 -0.240 3.567 1.00 . A A . 14 LEU HA 1 1 17 4830 1 1 14 LEU HB2 H 5.139 0.006 3.645 1.00 . A A . 14 LEU HB2 1 1 17 4831 1 1 14 LEU HB3 H 5.202 -1.640 3.012 1.00 . A A . 14 LEU HB3 1 1 17 4832 1 1 14 LEU HD11 H 6.166 -0.619 6.964 1.00 . A A . 14 LEU HD11 1 1 17 4833 1 1 14 LEU HD12 H 4.677 -0.214 6.110 1.00 . A A . 14 LEU HD12 1 1 17 4834 1 1 14 LEU HD13 H 6.184 0.599 5.689 1.00 . A A . 14 LEU HD13 1 1 17 4835 1 1 14 LEU HD21 H 4.990 -2.721 6.323 1.00 . A A . 14 LEU HD21 1 1 17 4836 1 1 14 LEU HD22 H 5.673 -3.536 4.916 1.00 . A A . 14 LEU HD22 1 1 17 4837 1 1 14 LEU HD23 H 4.226 -2.542 4.744 1.00 . A A . 14 LEU HD23 1 1 17 4838 1 1 14 LEU HG H 7.085 -1.699 5.038 1.00 . A A . 14 LEU HG 1 1 17 4839 1 1 14 LEU N N 6.723 0.551 1.929 1.00 . A A . 14 LEU N 1 1 17 4840 1 1 14 LEU O O 7.217 -2.906 2.377 1.00 . A A . 14 LEU O 1 1 17 4841 1 1 15 LYS C C 9.956 -3.467 1.092 1.00 . A A . 15 LYS C 1 1 17 4842 1 1 15 LYS CA C 8.905 -2.705 0.282 1.00 . A A . 15 LYS CA 1 1 17 4843 1 1 15 LYS CB C 9.541 -2.070 -0.954 1.00 . A A . 15 LYS CB 1 1 17 4844 1 1 15 LYS CD C 10.478 -4.081 -2.110 1.00 . A A . 15 LYS CD 1 1 17 4845 1 1 15 LYS CE C 10.735 -4.607 -3.525 1.00 . A A . 15 LYS CE 1 1 17 4846 1 1 15 LYS CG C 9.382 -3.012 -2.150 1.00 . A A . 15 LYS CG 1 1 17 4847 1 1 15 LYS H H 8.638 -0.644 0.856 1.00 . A A . 15 LYS H 1 1 17 4848 1 1 15 LYS HA H 8.107 -3.361 -0.010 1.00 . A A . 15 LYS HA 1 1 17 4849 1 1 15 LYS HB2 H 9.053 -1.130 -1.168 1.00 . A A . 15 LYS HB2 1 1 17 4850 1 1 15 LYS HB3 H 10.591 -1.898 -0.772 1.00 . A A . 15 LYS HB3 1 1 17 4851 1 1 15 LYS HD2 H 11.387 -3.648 -1.716 1.00 . A A . 15 LYS HD2 1 1 17 4852 1 1 15 LYS HD3 H 10.162 -4.895 -1.475 1.00 . A A . 15 LYS HD3 1 1 17 4853 1 1 15 LYS HE2 H 10.311 -3.934 -4.258 1.00 . A A . 15 LYS HE2 1 1 17 4854 1 1 15 LYS HE3 H 11.793 -4.733 -3.694 1.00 . A A . 15 LYS HE3 1 1 17 4855 1 1 15 LYS HG2 H 8.413 -3.487 -2.108 1.00 . A A . 15 LYS HG2 1 1 17 4856 1 1 15 LYS HG3 H 9.467 -2.447 -3.067 1.00 . A A . 15 LYS HG3 1 1 17 4857 1 1 15 LYS HZ1 H 9.020 -5.788 -3.555 1.00 . A A . 15 LYS HZ1 1 1 17 4858 1 1 15 LYS HZ2 H 10.335 -6.499 -2.751 1.00 . A A . 15 LYS HZ2 1 1 17 4859 1 1 15 LYS HZ3 H 10.318 -6.426 -4.448 1.00 . A A . 15 LYS HZ3 1 1 17 4860 1 1 15 LYS N N 8.375 -1.560 1.079 1.00 . A A . 15 LYS N 1 1 17 4861 1 1 15 LYS NZ N 10.050 -5.930 -3.573 1.00 . A A . 15 LYS NZ 1 1 17 4862 1 1 15 LYS O O 9.979 -4.682 1.116 1.00 . A A . 15 LYS O 1 1 17 4863 1 1 16 SER C C 12.896 -2.342 3.066 1.00 . A A . 16 SER C 1 1 17 4864 1 1 16 SER CA C 11.894 -3.398 2.579 1.00 . A A . 16 SER CA 1 1 17 4865 1 1 16 SER CB C 12.593 -4.389 1.645 1.00 . A A . 16 SER CB 1 1 17 4866 1 1 16 SER H H 10.767 -1.776 1.714 1.00 . A A . 16 SER H 1 1 17 4867 1 1 16 SER HA H 11.460 -3.919 3.415 1.00 . A A . 16 SER HA 1 1 17 4868 1 1 16 SER HB2 H 12.389 -4.126 0.620 1.00 . A A . 16 SER HB2 1 1 17 4869 1 1 16 SER HB3 H 13.660 -4.354 1.819 1.00 . A A . 16 SER HB3 1 1 17 4870 1 1 16 SER HG H 12.854 -6.292 1.954 1.00 . A A . 16 SER HG 1 1 17 4871 1 1 16 SER N N 10.823 -2.750 1.755 1.00 . A A . 16 SER N 1 1 17 4872 1 1 16 SER O O 13.715 -2.602 3.925 1.00 . A A . 16 SER O 1 1 17 4873 1 1 16 SER OG O 12.102 -5.700 1.899 1.00 . A A . 16 SER OG 1 1 17 4874 1 1 17 PHE C C 13.885 0.015 4.446 1.00 . A A . 17 PHE C 1 1 17 4875 1 1 17 PHE CA C 13.783 -0.067 2.918 1.00 . A A . 17 PHE CA 1 1 17 4876 1 1 17 PHE CB C 13.189 1.240 2.364 1.00 . A A . 17 PHE CB 1 1 17 4877 1 1 17 PHE CD1 C 13.134 0.626 -0.086 1.00 . A A . 17 PHE CD1 1 1 17 4878 1 1 17 PHE CD2 C 11.042 1.101 1.045 1.00 . A A . 17 PHE CD2 1 1 17 4879 1 1 17 PHE CE1 C 12.435 0.382 -1.274 1.00 . A A . 17 PHE CE1 1 1 17 4880 1 1 17 PHE CE2 C 10.344 0.857 -0.142 1.00 . A A . 17 PHE CE2 1 1 17 4881 1 1 17 PHE CG C 12.438 0.987 1.073 1.00 . A A . 17 PHE CG 1 1 17 4882 1 1 17 PHE CZ C 11.040 0.498 -1.303 1.00 . A A . 17 PHE CZ 1 1 17 4883 1 1 17 PHE H H 12.174 -0.985 1.819 1.00 . A A . 17 PHE H 1 1 17 4884 1 1 17 PHE HA H 14.756 -0.237 2.487 1.00 . A A . 17 PHE HA 1 1 17 4885 1 1 17 PHE HB2 H 12.511 1.662 3.091 1.00 . A A . 17 PHE HB2 1 1 17 4886 1 1 17 PHE HB3 H 13.987 1.939 2.177 1.00 . A A . 17 PHE HB3 1 1 17 4887 1 1 17 PHE HD1 H 14.209 0.537 -0.065 1.00 . A A . 17 PHE HD1 1 1 17 4888 1 1 17 PHE HD2 H 10.505 1.379 1.939 1.00 . A A . 17 PHE HD2 1 1 17 4889 1 1 17 PHE HE1 H 12.971 0.104 -2.170 1.00 . A A . 17 PHE HE1 1 1 17 4890 1 1 17 PHE HE2 H 9.268 0.943 -0.163 1.00 . A A . 17 PHE HE2 1 1 17 4891 1 1 17 PHE HZ H 10.501 0.309 -2.220 1.00 . A A . 17 PHE HZ 1 1 17 4892 1 1 17 PHE N N 12.837 -1.157 2.512 1.00 . A A . 17 PHE N 1 1 17 4893 1 1 17 PHE O O 14.933 -0.218 5.013 1.00 . A A . 17 PHE O 1 1 17 4894 1 1 18 NH2 HN1 H 12.883 0.397 6.116 1.00 . A A . 18 NH2 HN1 1 1 17 4895 1 1 18 NH2 HN2 H 11.982 0.529 4.683 1.00 . A A . 18 NH2 HN2 1 1 17 4896 1 1 18 NH2 N N 12.829 0.341 5.139 1.00 . A A . 18 NH2 N 1 1 18 4897 1 1 1 MET C C -13.543 0.662 3.423 1.00 . A A . 1 MET C 1 1 18 4898 1 1 1 MET CA C -14.351 -0.434 4.124 1.00 . A A . 1 MET CA 1 1 18 4899 1 1 1 MET CB C -14.718 -1.544 3.137 1.00 . A A . 1 MET CB 1 1 18 4900 1 1 1 MET CE C -13.270 -4.698 3.708 1.00 . A A . 1 MET CE 1 1 18 4901 1 1 1 MET CG C -15.182 -2.781 3.907 1.00 . A A . 1 MET CG 1 1 18 4902 1 1 1 MET H1 H -15.487 0.912 5.236 1.00 . A A . 1 MET H1 1 1 18 4903 1 1 1 MET H2 H -16.180 -0.634 5.103 1.00 . A A . 1 MET H2 1 1 18 4904 1 1 1 MET H3 H -16.214 0.432 3.780 1.00 . A A . 1 MET H3 1 1 18 4905 1 1 1 MET HA H -13.792 -0.846 4.949 1.00 . A A . 1 MET HA 1 1 18 4906 1 1 1 MET HB2 H -15.513 -1.201 2.491 1.00 . A A . 1 MET HB2 1 1 18 4907 1 1 1 MET HB3 H -13.854 -1.796 2.541 1.00 . A A . 1 MET HB3 1 1 18 4908 1 1 1 MET HE1 H -12.536 -4.912 2.944 1.00 . A A . 1 MET HE1 1 1 18 4909 1 1 1 MET HE2 H -13.409 -5.567 4.336 1.00 . A A . 1 MET HE2 1 1 18 4910 1 1 1 MET HE3 H -12.927 -3.874 4.312 1.00 . A A . 1 MET HE3 1 1 18 4911 1 1 1 MET HG2 H -14.651 -2.841 4.846 1.00 . A A . 1 MET HG2 1 1 18 4912 1 1 1 MET HG3 H -16.243 -2.709 4.098 1.00 . A A . 1 MET HG3 1 1 18 4913 1 1 1 MET N N -15.656 0.110 4.596 1.00 . A A . 1 MET N 1 1 18 4914 1 1 1 MET O O -14.046 1.365 2.568 1.00 . A A . 1 MET O 1 1 18 4915 1 1 1 MET SD S -14.843 -4.264 2.927 1.00 . A A . 1 MET SD 1 1 18 4916 1 1 2 ALA C C -9.980 1.668 3.503 1.00 . A A . 2 ALA C 1 1 18 4917 1 1 2 ALA CA C -11.453 1.863 3.133 1.00 . A A . 2 ALA CA 1 1 18 4918 1 1 2 ALA CB C -11.975 3.187 3.692 1.00 . A A . 2 ALA CB 1 1 18 4919 1 1 2 ALA H H -11.910 0.234 4.470 1.00 . A A . 2 ALA H 1 1 18 4920 1 1 2 ALA HA H -11.580 1.841 2.062 1.00 . A A . 2 ALA HA 1 1 18 4921 1 1 2 ALA HB1 H -13.052 3.217 3.603 1.00 . A A . 2 ALA HB1 1 1 18 4922 1 1 2 ALA HB2 H -11.545 4.007 3.137 1.00 . A A . 2 ALA HB2 1 1 18 4923 1 1 2 ALA HB3 H -11.698 3.271 4.733 1.00 . A A . 2 ALA HB3 1 1 18 4924 1 1 2 ALA N N -12.294 0.812 3.779 1.00 . A A . 2 ALA N 1 1 18 4925 1 1 2 ALA O O -9.333 2.567 4.003 1.00 . A A . 2 ALA O 1 1 18 4926 1 1 3 THR C C -7.251 -0.207 2.351 1.00 . A A . 3 THR C 1 1 18 4927 1 1 3 THR CA C -8.013 0.249 3.594 1.00 . A A . 3 THR CA 1 1 18 4928 1 1 3 THR CB C -8.034 -0.856 4.654 1.00 . A A . 3 THR CB 1 1 18 4929 1 1 3 THR CG2 C -8.767 -2.085 4.109 1.00 . A A . 3 THR CG2 1 1 18 4930 1 1 3 THR H H -9.986 -0.210 2.853 1.00 . A A . 3 THR H 1 1 18 4931 1 1 3 THR HA H -7.562 1.139 3.998 1.00 . A A . 3 THR HA 1 1 18 4932 1 1 3 THR HB H -8.545 -0.500 5.535 1.00 . A A . 3 THR HB 1 1 18 4933 1 1 3 THR HG1 H -6.734 -1.951 5.599 1.00 . A A . 3 THR HG1 1 1 18 4934 1 1 3 THR HG21 H -8.305 -2.980 4.499 1.00 . A A . 3 THR HG21 1 1 18 4935 1 1 3 THR HG22 H -8.710 -2.090 3.031 1.00 . A A . 3 THR HG22 1 1 18 4936 1 1 3 THR HG23 H -9.802 -2.052 4.416 1.00 . A A . 3 THR HG23 1 1 18 4937 1 1 3 THR N N -9.446 0.501 3.258 1.00 . A A . 3 THR N 1 1 18 4938 1 1 3 THR O O -6.433 -1.104 2.406 1.00 . A A . 3 THR O 1 1 18 4939 1 1 3 THR OG1 O -6.699 -1.209 4.991 1.00 . A A . 3 THR OG1 1 1 18 4940 1 1 4 LEU C C -5.458 0.736 -0.094 1.00 . A A . 4 LEU C 1 1 18 4941 1 1 4 LEU CA C -6.804 0.021 -0.015 1.00 . A A . 4 LEU CA 1 1 18 4942 1 1 4 LEU CB C -7.722 0.464 -1.155 1.00 . A A . 4 LEU CB 1 1 18 4943 1 1 4 LEU CD1 C -9.963 -0.381 -0.445 1.00 . A A . 4 LEU CD1 1 1 18 4944 1 1 4 LEU CD2 C -9.280 -0.511 -2.845 1.00 . A A . 4 LEU CD2 1 1 18 4945 1 1 4 LEU CG C -8.787 -0.604 -1.398 1.00 . A A . 4 LEU CG 1 1 18 4946 1 1 4 LEU H H -8.171 1.127 1.214 1.00 . A A . 4 LEU H 1 1 18 4947 1 1 4 LEU HA H -6.664 -1.043 -0.043 1.00 . A A . 4 LEU HA 1 1 18 4948 1 1 4 LEU HB2 H -8.199 1.397 -0.891 1.00 . A A . 4 LEU HB2 1 1 18 4949 1 1 4 LEU HB3 H -7.139 0.600 -2.053 1.00 . A A . 4 LEU HB3 1 1 18 4950 1 1 4 LEU HD11 H -9.761 -0.871 0.496 1.00 . A A . 4 LEU HD11 1 1 18 4951 1 1 4 LEU HD12 H -10.862 -0.791 -0.880 1.00 . A A . 4 LEU HD12 1 1 18 4952 1 1 4 LEU HD13 H -10.095 0.678 -0.278 1.00 . A A . 4 LEU HD13 1 1 18 4953 1 1 4 LEU HD21 H -8.436 -0.565 -3.516 1.00 . A A . 4 LEU HD21 1 1 18 4954 1 1 4 LEU HD22 H -9.797 0.427 -2.988 1.00 . A A . 4 LEU HD22 1 1 18 4955 1 1 4 LEU HD23 H -9.955 -1.329 -3.048 1.00 . A A . 4 LEU HD23 1 1 18 4956 1 1 4 LEU HG H -8.363 -1.582 -1.223 1.00 . A A . 4 LEU HG 1 1 18 4957 1 1 4 LEU N N -7.512 0.409 1.232 1.00 . A A . 4 LEU N 1 1 18 4958 1 1 4 LEU O O -4.429 0.115 -0.268 1.00 . A A . 4 LEU O 1 1 18 4959 1 1 5 GLU C C -3.206 2.209 1.037 1.00 . A A . 5 GLU C 1 1 18 4960 1 1 5 GLU CA C -4.152 2.772 -0.015 1.00 . A A . 5 GLU CA 1 1 18 4961 1 1 5 GLU CB C -4.493 4.237 0.279 1.00 . A A . 5 GLU CB 1 1 18 4962 1 1 5 GLU CD C -5.195 5.209 -1.914 1.00 . A A . 5 GLU CD 1 1 18 4963 1 1 5 GLU CG C -4.055 5.110 -0.899 1.00 . A A . 5 GLU CG 1 1 18 4964 1 1 5 GLU H H -6.285 2.522 0.190 1.00 . A A . 5 GLU H 1 1 18 4965 1 1 5 GLU HA H -3.715 2.675 -0.991 1.00 . A A . 5 GLU HA 1 1 18 4966 1 1 5 GLU HB2 H -5.559 4.337 0.425 1.00 . A A . 5 GLU HB2 1 1 18 4967 1 1 5 GLU HB3 H -3.976 4.556 1.171 1.00 . A A . 5 GLU HB3 1 1 18 4968 1 1 5 GLU HG2 H -3.804 6.098 -0.541 1.00 . A A . 5 GLU HG2 1 1 18 4969 1 1 5 GLU HG3 H -3.192 4.669 -1.373 1.00 . A A . 5 GLU HG3 1 1 18 4970 1 1 5 GLU N N -5.448 2.037 0.043 1.00 . A A . 5 GLU N 1 1 18 4971 1 1 5 GLU O O -2.021 2.062 0.809 1.00 . A A . 5 GLU O 1 1 18 4972 1 1 5 GLU OE1 O -6.310 5.479 -1.498 1.00 . A A . 5 GLU OE1 1 1 18 4973 1 1 5 GLU OE2 O -4.935 5.012 -3.089 1.00 . A A . 5 GLU OE2 1 1 18 4974 1 1 6 LYS C C -2.279 -0.055 2.712 1.00 . A A . 6 LYS C 1 1 18 4975 1 1 6 LYS CA C -2.865 1.262 3.232 1.00 . A A . 6 LYS CA 1 1 18 4976 1 1 6 LYS CB C -3.792 1.008 4.426 1.00 . A A . 6 LYS CB 1 1 18 4977 1 1 6 LYS CD C -3.666 1.123 6.920 1.00 . A A . 6 LYS CD 1 1 18 4978 1 1 6 LYS CE C -4.097 2.134 7.985 1.00 . A A . 6 LYS CE 1 1 18 4979 1 1 6 LYS CG C -3.343 1.858 5.617 1.00 . A A . 6 LYS CG 1 1 18 4980 1 1 6 LYS H H -4.689 1.959 2.333 1.00 . A A . 6 LYS H 1 1 18 4981 1 1 6 LYS HA H -2.081 1.946 3.506 1.00 . A A . 6 LYS HA 1 1 18 4982 1 1 6 LYS HB2 H -4.805 1.270 4.158 1.00 . A A . 6 LYS HB2 1 1 18 4983 1 1 6 LYS HB3 H -3.751 -0.037 4.698 1.00 . A A . 6 LYS HB3 1 1 18 4984 1 1 6 LYS HD2 H -4.466 0.417 6.747 1.00 . A A . 6 LYS HD2 1 1 18 4985 1 1 6 LYS HD3 H -2.788 0.595 7.263 1.00 . A A . 6 LYS HD3 1 1 18 4986 1 1 6 LYS HE2 H -4.550 2.998 7.521 1.00 . A A . 6 LYS HE2 1 1 18 4987 1 1 6 LYS HE3 H -4.782 1.677 8.683 1.00 . A A . 6 LYS HE3 1 1 18 4988 1 1 6 LYS HG2 H -2.279 2.032 5.554 1.00 . A A . 6 LYS HG2 1 1 18 4989 1 1 6 LYS HG3 H -3.864 2.804 5.601 1.00 . A A . 6 LYS HG3 1 1 18 4990 1 1 6 LYS HZ1 H -2.240 3.072 8.043 1.00 . A A . 6 LYS HZ1 1 1 18 4991 1 1 6 LYS HZ2 H -2.327 1.657 8.973 1.00 . A A . 6 LYS HZ2 1 1 18 4992 1 1 6 LYS HZ3 H -3.068 3.083 9.527 1.00 . A A . 6 LYS HZ3 1 1 18 4993 1 1 6 LYS N N -3.728 1.855 2.181 1.00 . A A . 6 LYS N 1 1 18 4994 1 1 6 LYS NZ N -2.838 2.515 8.685 1.00 . A A . 6 LYS NZ 1 1 18 4995 1 1 6 LYS O O -1.348 -0.598 3.275 1.00 . A A . 6 LYS O 1 1 18 4996 1 1 7 LEU C C -1.337 -1.540 -0.088 1.00 . A A . 7 LEU C 1 1 18 4997 1 1 7 LEU CA C -2.303 -1.841 1.068 1.00 . A A . 7 LEU CA 1 1 18 4998 1 1 7 LEU CB C -3.564 -2.599 0.605 1.00 . A A . 7 LEU CB 1 1 18 4999 1 1 7 LEU CD1 C -2.963 -3.625 -1.597 1.00 . A A . 7 LEU CD1 1 1 18 5000 1 1 7 LEU CD2 C -5.237 -2.651 -1.258 1.00 . A A . 7 LEU CD2 1 1 18 5001 1 1 7 LEU CG C -3.750 -2.504 -0.916 1.00 . A A . 7 LEU CG 1 1 18 5002 1 1 7 LEU H H -3.568 -0.120 1.191 1.00 . A A . 7 LEU H 1 1 18 5003 1 1 7 LEU HA H -1.804 -2.399 1.836 1.00 . A A . 7 LEU HA 1 1 18 5004 1 1 7 LEU HB2 H -3.478 -3.637 0.886 1.00 . A A . 7 LEU HB2 1 1 18 5005 1 1 7 LEU HB3 H -4.431 -2.173 1.092 1.00 . A A . 7 LEU HB3 1 1 18 5006 1 1 7 LEU HD11 H -1.988 -3.709 -1.142 1.00 . A A . 7 LEU HD11 1 1 18 5007 1 1 7 LEU HD12 H -2.853 -3.399 -2.647 1.00 . A A . 7 LEU HD12 1 1 18 5008 1 1 7 LEU HD13 H -3.495 -4.559 -1.484 1.00 . A A . 7 LEU HD13 1 1 18 5009 1 1 7 LEU HD21 H -5.783 -2.959 -0.379 1.00 . A A . 7 LEU HD21 1 1 18 5010 1 1 7 LEU HD22 H -5.359 -3.391 -2.036 1.00 . A A . 7 LEU HD22 1 1 18 5011 1 1 7 LEU HD23 H -5.621 -1.702 -1.604 1.00 . A A . 7 LEU HD23 1 1 18 5012 1 1 7 LEU HG H -3.393 -1.548 -1.265 1.00 . A A . 7 LEU HG 1 1 18 5013 1 1 7 LEU N N -2.820 -0.571 1.632 1.00 . A A . 7 LEU N 1 1 18 5014 1 1 7 LEU O O -0.446 -2.313 -0.384 1.00 . A A . 7 LEU O 1 1 18 5015 1 1 8 MET C C 0.603 0.716 -1.359 1.00 . A A . 8 MET C 1 1 18 5016 1 1 8 MET CA C -0.616 -0.054 -1.870 1.00 . A A . 8 MET CA 1 1 18 5017 1 1 8 MET CB C -1.470 0.834 -2.777 1.00 . A A . 8 MET CB 1 1 18 5018 1 1 8 MET CE C -2.085 -0.617 -6.521 1.00 . A A . 8 MET CE 1 1 18 5019 1 1 8 MET CG C -1.152 0.526 -4.241 1.00 . A A . 8 MET CG 1 1 18 5020 1 1 8 MET H H -2.231 0.185 -0.483 1.00 . A A . 8 MET H 1 1 18 5021 1 1 8 MET HA H -0.312 -0.936 -2.400 1.00 . A A . 8 MET HA 1 1 18 5022 1 1 8 MET HB2 H -2.516 0.642 -2.586 1.00 . A A . 8 MET HB2 1 1 18 5023 1 1 8 MET HB3 H -1.251 1.872 -2.574 1.00 . A A . 8 MET HB3 1 1 18 5024 1 1 8 MET HE1 H -1.363 -1.236 -7.034 1.00 . A A . 8 MET HE1 1 1 18 5025 1 1 8 MET HE2 H -1.854 0.427 -6.683 1.00 . A A . 8 MET HE2 1 1 18 5026 1 1 8 MET HE3 H -3.071 -0.828 -6.901 1.00 . A A . 8 MET HE3 1 1 18 5027 1 1 8 MET HG2 H -1.468 1.354 -4.859 1.00 . A A . 8 MET HG2 1 1 18 5028 1 1 8 MET HG3 H -0.089 0.377 -4.355 1.00 . A A . 8 MET HG3 1 1 18 5029 1 1 8 MET N N -1.510 -0.418 -0.738 1.00 . A A . 8 MET N 1 1 18 5030 1 1 8 MET O O 1.721 0.470 -1.770 1.00 . A A . 8 MET O 1 1 18 5031 1 1 8 MET SD S -2.030 -0.974 -4.747 1.00 . A A . 8 MET SD 1 1 18 5032 1 1 9 LYS C C 2.640 1.501 0.586 1.00 . A A . 9 LYS C 1 1 18 5033 1 1 9 LYS CA C 1.544 2.439 0.076 1.00 . A A . 9 LYS CA 1 1 18 5034 1 1 9 LYS CB C 0.960 3.263 1.229 1.00 . A A . 9 LYS CB 1 1 18 5035 1 1 9 LYS CD C -0.188 5.374 0.528 1.00 . A A . 9 LYS CD 1 1 18 5036 1 1 9 LYS CE C -0.274 5.428 -0.999 1.00 . A A . 9 LYS CE 1 1 18 5037 1 1 9 LYS CG C 1.149 4.756 0.946 1.00 . A A . 9 LYS CG 1 1 18 5038 1 1 9 LYS H H -0.514 1.829 -0.151 1.00 . A A . 9 LYS H 1 1 18 5039 1 1 9 LYS HA H 1.941 3.094 -0.682 1.00 . A A . 9 LYS HA 1 1 18 5040 1 1 9 LYS HB2 H -0.093 3.044 1.331 1.00 . A A . 9 LYS HB2 1 1 18 5041 1 1 9 LYS HB3 H 1.468 3.007 2.147 1.00 . A A . 9 LYS HB3 1 1 18 5042 1 1 9 LYS HD2 H -0.998 4.772 0.915 1.00 . A A . 9 LYS HD2 1 1 18 5043 1 1 9 LYS HD3 H -0.262 6.375 0.927 1.00 . A A . 9 LYS HD3 1 1 18 5044 1 1 9 LYS HE2 H 0.714 5.354 -1.433 1.00 . A A . 9 LYS HE2 1 1 18 5045 1 1 9 LYS HE3 H -0.909 4.638 -1.368 1.00 . A A . 9 LYS HE3 1 1 18 5046 1 1 9 LYS HG2 H 1.509 5.248 1.838 1.00 . A A . 9 LYS HG2 1 1 18 5047 1 1 9 LYS HG3 H 1.867 4.886 0.150 1.00 . A A . 9 LYS HG3 1 1 18 5048 1 1 9 LYS HZ1 H -1.725 6.894 -0.715 1.00 . A A . 9 LYS HZ1 1 1 18 5049 1 1 9 LYS HZ2 H -1.150 6.790 -2.306 1.00 . A A . 9 LYS HZ2 1 1 18 5050 1 1 9 LYS HZ3 H -0.188 7.506 -1.103 1.00 . A A . 9 LYS HZ3 1 1 18 5051 1 1 9 LYS N N 0.396 1.649 -0.465 1.00 . A A . 9 LYS N 1 1 18 5052 1 1 9 LYS NZ N -0.880 6.755 -1.304 1.00 . A A . 9 LYS NZ 1 1 18 5053 1 1 9 LYS O O 3.793 1.866 0.648 1.00 . A A . 9 LYS O 1 1 18 5054 1 1 10 ALA C C 4.224 -1.102 0.298 1.00 . A A . 10 ALA C 1 1 18 5055 1 1 10 ALA CA C 3.319 -0.653 1.448 1.00 . A A . 10 ALA CA 1 1 18 5056 1 1 10 ALA CB C 2.530 -1.840 2.003 1.00 . A A . 10 ALA CB 1 1 18 5057 1 1 10 ALA H H 1.357 0.022 0.892 1.00 . A A . 10 ALA H 1 1 18 5058 1 1 10 ALA HA H 3.903 -0.198 2.229 1.00 . A A . 10 ALA HA 1 1 18 5059 1 1 10 ALA HB1 H 3.172 -2.706 2.059 1.00 . A A . 10 ALA HB1 1 1 18 5060 1 1 10 ALA HB2 H 1.695 -2.053 1.350 1.00 . A A . 10 ALA HB2 1 1 18 5061 1 1 10 ALA HB3 H 2.163 -1.598 2.989 1.00 . A A . 10 ALA HB3 1 1 18 5062 1 1 10 ALA N N 2.291 0.299 0.949 1.00 . A A . 10 ALA N 1 1 18 5063 1 1 10 ALA O O 5.428 -1.140 0.427 1.00 . A A . 10 ALA O 1 1 18 5064 1 1 11 PHE C C 5.458 -0.788 -2.397 1.00 . A A . 11 PHE C 1 1 18 5065 1 1 11 PHE CA C 4.484 -1.890 -1.974 1.00 . A A . 11 PHE CA 1 1 18 5066 1 1 11 PHE CB C 3.482 -2.181 -3.094 1.00 . A A . 11 PHE CB 1 1 18 5067 1 1 11 PHE CD1 C 2.687 -4.121 -1.674 1.00 . A A . 11 PHE CD1 1 1 18 5068 1 1 11 PHE CD2 C 1.084 -2.955 -3.071 1.00 . A A . 11 PHE CD2 1 1 18 5069 1 1 11 PHE CE1 C 1.672 -4.972 -1.221 1.00 . A A . 11 PHE CE1 1 1 18 5070 1 1 11 PHE CE2 C 0.071 -3.806 -2.619 1.00 . A A . 11 PHE CE2 1 1 18 5071 1 1 11 PHE CG C 2.394 -3.111 -2.601 1.00 . A A . 11 PHE CG 1 1 18 5072 1 1 11 PHE CZ C 0.364 -4.814 -1.693 1.00 . A A . 11 PHE CZ 1 1 18 5073 1 1 11 PHE H H 2.680 -1.402 -0.912 1.00 . A A . 11 PHE H 1 1 18 5074 1 1 11 PHE HA H 5.022 -2.786 -1.719 1.00 . A A . 11 PHE HA 1 1 18 5075 1 1 11 PHE HB2 H 3.035 -1.252 -3.418 1.00 . A A . 11 PHE HB2 1 1 18 5076 1 1 11 PHE HB3 H 3.996 -2.640 -3.922 1.00 . A A . 11 PHE HB3 1 1 18 5077 1 1 11 PHE HD1 H 3.696 -4.242 -1.309 1.00 . A A . 11 PHE HD1 1 1 18 5078 1 1 11 PHE HD2 H 0.857 -2.177 -3.785 1.00 . A A . 11 PHE HD2 1 1 18 5079 1 1 11 PHE HE1 H 1.898 -5.748 -0.506 1.00 . A A . 11 PHE HE1 1 1 18 5080 1 1 11 PHE HE2 H -0.937 -3.684 -2.983 1.00 . A A . 11 PHE HE2 1 1 18 5081 1 1 11 PHE HZ H -0.419 -5.471 -1.344 1.00 . A A . 11 PHE HZ 1 1 18 5082 1 1 11 PHE N N 3.654 -1.440 -0.824 1.00 . A A . 11 PHE N 1 1 18 5083 1 1 11 PHE O O 6.445 -1.043 -3.061 1.00 . A A . 11 PHE O 1 1 18 5084 1 1 12 GLU C C 6.831 2.096 -1.187 1.00 . A A . 12 GLU C 1 1 18 5085 1 1 12 GLU CA C 6.095 1.551 -2.413 1.00 . A A . 12 GLU CA 1 1 18 5086 1 1 12 GLU CB C 5.168 2.620 -2.988 1.00 . A A . 12 GLU CB 1 1 18 5087 1 1 12 GLU CD C 4.471 3.824 -5.065 1.00 . A A . 12 GLU CD 1 1 18 5088 1 1 12 GLU CG C 5.396 2.746 -4.496 1.00 . A A . 12 GLU CG 1 1 18 5089 1 1 12 GLU H H 4.383 0.616 -1.497 1.00 . A A . 12 GLU H 1 1 18 5090 1 1 12 GLU HA H 6.796 1.227 -3.164 1.00 . A A . 12 GLU HA 1 1 18 5091 1 1 12 GLU HB2 H 4.142 2.343 -2.799 1.00 . A A . 12 GLU HB2 1 1 18 5092 1 1 12 GLU HB3 H 5.377 3.567 -2.513 1.00 . A A . 12 GLU HB3 1 1 18 5093 1 1 12 GLU HG2 H 6.425 3.018 -4.683 1.00 . A A . 12 GLU HG2 1 1 18 5094 1 1 12 GLU HG3 H 5.181 1.802 -4.973 1.00 . A A . 12 GLU HG3 1 1 18 5095 1 1 12 GLU N N 5.187 0.433 -2.026 1.00 . A A . 12 GLU N 1 1 18 5096 1 1 12 GLU O O 8.008 2.392 -1.238 1.00 . A A . 12 GLU O 1 1 18 5097 1 1 12 GLU OE1 O 4.294 4.833 -4.404 1.00 . A A . 12 GLU OE1 1 1 18 5098 1 1 12 GLU OE2 O 3.956 3.622 -6.152 1.00 . A A . 12 GLU OE2 1 1 18 5099 1 1 13 SER C C 7.650 1.737 1.816 1.00 . A A . 13 SER C 1 1 18 5100 1 1 13 SER CA C 6.786 2.796 1.133 1.00 . A A . 13 SER CA 1 1 18 5101 1 1 13 SER CB C 5.634 3.216 2.045 1.00 . A A . 13 SER CB 1 1 18 5102 1 1 13 SER H H 5.186 2.016 -0.082 1.00 . A A . 13 SER H 1 1 18 5103 1 1 13 SER HA H 7.378 3.648 0.880 1.00 . A A . 13 SER HA 1 1 18 5104 1 1 13 SER HB2 H 4.896 3.754 1.473 1.00 . A A . 13 SER HB2 1 1 18 5105 1 1 13 SER HB3 H 5.178 2.335 2.478 1.00 . A A . 13 SER HB3 1 1 18 5106 1 1 13 SER HG H 5.424 4.647 3.347 1.00 . A A . 13 SER HG 1 1 18 5107 1 1 13 SER N N 6.137 2.248 -0.093 1.00 . A A . 13 SER N 1 1 18 5108 1 1 13 SER O O 8.620 2.050 2.478 1.00 . A A . 13 SER O 1 1 18 5109 1 1 13 SER OG O 6.134 4.060 3.073 1.00 . A A . 13 SER OG 1 1 18 5110 1 1 14 LEU C C 9.590 -0.469 1.923 1.00 . A A . 14 LEU C 1 1 18 5111 1 1 14 LEU CA C 8.114 -0.587 2.324 1.00 . A A . 14 LEU CA 1 1 18 5112 1 1 14 LEU CB C 7.524 -1.908 1.825 1.00 . A A . 14 LEU CB 1 1 18 5113 1 1 14 LEU CD1 C 7.749 -3.312 3.880 1.00 . A A . 14 LEU CD1 1 1 18 5114 1 1 14 LEU CD2 C 8.051 -4.341 1.625 1.00 . A A . 14 LEU CD2 1 1 18 5115 1 1 14 LEU CG C 8.275 -3.081 2.462 1.00 . A A . 14 LEU CG 1 1 18 5116 1 1 14 LEU H H 6.513 0.263 1.135 1.00 . A A . 14 LEU H 1 1 18 5117 1 1 14 LEU HA H 8.014 -0.525 3.396 1.00 . A A . 14 LEU HA 1 1 18 5118 1 1 14 LEU HB2 H 6.481 -1.960 2.099 1.00 . A A . 14 LEU HB2 1 1 18 5119 1 1 14 LEU HB3 H 7.620 -1.963 0.752 1.00 . A A . 14 LEU HB3 1 1 18 5120 1 1 14 LEU HD11 H 8.008 -4.309 4.202 1.00 . A A . 14 LEU HD11 1 1 18 5121 1 1 14 LEU HD12 H 6.675 -3.198 3.888 1.00 . A A . 14 LEU HD12 1 1 18 5122 1 1 14 LEU HD13 H 8.192 -2.591 4.550 1.00 . A A . 14 LEU HD13 1 1 18 5123 1 1 14 LEU HD21 H 8.407 -4.173 0.619 1.00 . A A . 14 LEU HD21 1 1 18 5124 1 1 14 LEU HD22 H 6.996 -4.574 1.599 1.00 . A A . 14 LEU HD22 1 1 18 5125 1 1 14 LEU HD23 H 8.591 -5.167 2.065 1.00 . A A . 14 LEU HD23 1 1 18 5126 1 1 14 LEU HG H 9.330 -2.855 2.503 1.00 . A A . 14 LEU HG 1 1 18 5127 1 1 14 LEU N N 7.305 0.490 1.670 1.00 . A A . 14 LEU N 1 1 18 5128 1 1 14 LEU O O 10.440 -0.181 2.742 1.00 . A A . 14 LEU O 1 1 18 5129 1 1 15 LYS C C 11.463 0.325 -0.980 1.00 . A A . 15 LYS C 1 1 18 5130 1 1 15 LYS CA C 11.325 -0.605 0.231 1.00 . A A . 15 LYS CA 1 1 18 5131 1 1 15 LYS CB C 11.716 -2.033 -0.147 1.00 . A A . 15 LYS CB 1 1 18 5132 1 1 15 LYS CD C 13.508 -2.908 -1.656 1.00 . A A . 15 LYS CD 1 1 18 5133 1 1 15 LYS CE C 14.815 -2.423 -2.291 1.00 . A A . 15 LYS CE 1 1 18 5134 1 1 15 LYS CG C 13.227 -2.102 -0.387 1.00 . A A . 15 LYS CG 1 1 18 5135 1 1 15 LYS H H 9.202 -0.935 0.030 1.00 . A A . 15 LYS H 1 1 18 5136 1 1 15 LYS HA H 11.946 -0.260 1.041 1.00 . A A . 15 LYS HA 1 1 18 5137 1 1 15 LYS HB2 H 11.446 -2.703 0.657 1.00 . A A . 15 LYS HB2 1 1 18 5138 1 1 15 LYS HB3 H 11.195 -2.322 -1.047 1.00 . A A . 15 LYS HB3 1 1 18 5139 1 1 15 LYS HD2 H 13.596 -3.956 -1.405 1.00 . A A . 15 LYS HD2 1 1 18 5140 1 1 15 LYS HD3 H 12.698 -2.771 -2.356 1.00 . A A . 15 LYS HD3 1 1 18 5141 1 1 15 LYS HE2 H 15.076 -1.445 -1.912 1.00 . A A . 15 LYS HE2 1 1 18 5142 1 1 15 LYS HE3 H 15.610 -3.127 -2.099 1.00 . A A . 15 LYS HE3 1 1 18 5143 1 1 15 LYS HG2 H 13.620 -1.102 -0.499 1.00 . A A . 15 LYS HG2 1 1 18 5144 1 1 15 LYS HG3 H 13.702 -2.582 0.455 1.00 . A A . 15 LYS HG3 1 1 18 5145 1 1 15 LYS HZ1 H 15.409 -2.143 -4.266 1.00 . A A . 15 LYS HZ1 1 1 18 5146 1 1 15 LYS HZ2 H 13.833 -1.611 -3.937 1.00 . A A . 15 LYS HZ2 1 1 18 5147 1 1 15 LYS HZ3 H 14.156 -3.274 -4.073 1.00 . A A . 15 LYS HZ3 1 1 18 5148 1 1 15 LYS N N 9.901 -0.698 0.674 1.00 . A A . 15 LYS N 1 1 18 5149 1 1 15 LYS NZ N 14.532 -2.358 -3.751 1.00 . A A . 15 LYS NZ 1 1 18 5150 1 1 15 LYS O O 12.479 0.968 -1.163 1.00 . A A . 15 LYS O 1 1 18 5151 1 1 16 SER C C 10.732 2.742 -2.610 1.00 . A A . 16 SER C 1 1 18 5152 1 1 16 SER CA C 10.540 1.276 -3.013 1.00 . A A . 16 SER CA 1 1 18 5153 1 1 16 SER CB C 9.207 1.090 -3.739 1.00 . A A . 16 SER CB 1 1 18 5154 1 1 16 SER H H 9.653 -0.137 -1.649 1.00 . A A . 16 SER H 1 1 18 5155 1 1 16 SER HA H 11.346 0.956 -3.649 1.00 . A A . 16 SER HA 1 1 18 5156 1 1 16 SER HB2 H 8.655 0.285 -3.286 1.00 . A A . 16 SER HB2 1 1 18 5157 1 1 16 SER HB3 H 8.630 2.003 -3.670 1.00 . A A . 16 SER HB3 1 1 18 5158 1 1 16 SER HG H 8.945 -0.006 -5.326 1.00 . A A . 16 SER HG 1 1 18 5159 1 1 16 SER N N 10.458 0.395 -1.811 1.00 . A A . 16 SER N 1 1 18 5160 1 1 16 SER O O 11.080 3.573 -3.426 1.00 . A A . 16 SER O 1 1 18 5161 1 1 16 SER OG O 9.456 0.776 -5.103 1.00 . A A . 16 SER OG 1 1 18 5162 1 1 17 PHE C C 12.058 5.015 -1.309 1.00 . A A . 17 PHE C 1 1 18 5163 1 1 17 PHE CA C 10.669 4.490 -0.924 1.00 . A A . 17 PHE CA 1 1 18 5164 1 1 17 PHE CB C 10.493 4.462 0.601 1.00 . A A . 17 PHE CB 1 1 18 5165 1 1 17 PHE CD1 C 12.868 4.450 1.457 1.00 . A A . 17 PHE CD1 1 1 18 5166 1 1 17 PHE CD2 C 11.547 2.427 1.661 1.00 . A A . 17 PHE CD2 1 1 18 5167 1 1 17 PHE CE1 C 13.952 3.804 2.065 1.00 . A A . 17 PHE CE1 1 1 18 5168 1 1 17 PHE CE2 C 12.630 1.781 2.270 1.00 . A A . 17 PHE CE2 1 1 18 5169 1 1 17 PHE CG C 11.665 3.761 1.254 1.00 . A A . 17 PHE CG 1 1 18 5170 1 1 17 PHE CZ C 13.833 2.470 2.471 1.00 . A A . 17 PHE CZ 1 1 18 5171 1 1 17 PHE H H 10.217 2.390 -0.726 1.00 . A A . 17 PHE H 1 1 18 5172 1 1 17 PHE HA H 9.904 5.107 -1.366 1.00 . A A . 17 PHE HA 1 1 18 5173 1 1 17 PHE HB2 H 10.432 5.475 0.972 1.00 . A A . 17 PHE HB2 1 1 18 5174 1 1 17 PHE HB3 H 9.582 3.938 0.846 1.00 . A A . 17 PHE HB3 1 1 18 5175 1 1 17 PHE HD1 H 12.961 5.478 1.143 1.00 . A A . 17 PHE HD1 1 1 18 5176 1 1 17 PHE HD2 H 10.620 1.895 1.505 1.00 . A A . 17 PHE HD2 1 1 18 5177 1 1 17 PHE HE1 H 14.879 4.334 2.220 1.00 . A A . 17 PHE HE1 1 1 18 5178 1 1 17 PHE HE2 H 12.538 0.753 2.585 1.00 . A A . 17 PHE HE2 1 1 18 5179 1 1 17 PHE HZ H 14.668 1.972 2.940 1.00 . A A . 17 PHE HZ 1 1 18 5180 1 1 17 PHE N N 10.502 3.072 -1.366 1.00 . A A . 17 PHE N 1 1 18 5181 1 1 17 PHE O O 13.026 4.281 -1.302 1.00 . A A . 17 PHE O 1 1 18 5182 1 1 18 NH2 HN1 H 13.078 6.614 -1.896 1.00 . A A . 18 NH2 HN1 1 1 18 5183 1 1 18 NH2 HN2 H 11.416 6.862 -1.656 1.00 . A A . 18 NH2 HN2 1 1 18 5184 1 1 18 NH2 N N 12.196 6.267 -1.648 1.00 . A A . 18 NH2 N 1 1 19 5185 1 1 1 MET C C -12.514 -1.125 4.225 1.00 . A A . 1 MET C 1 1 19 5186 1 1 1 MET CA C -13.425 -1.084 5.457 1.00 . A A . 1 MET CA 1 1 19 5187 1 1 1 MET CB C -13.449 -2.444 6.162 1.00 . A A . 1 MET CB 1 1 19 5188 1 1 1 MET CE C -11.517 -3.475 9.651 1.00 . A A . 1 MET CE 1 1 19 5189 1 1 1 MET CG C -12.748 -2.331 7.517 1.00 . A A . 1 MET CG 1 1 19 5190 1 1 1 MET H1 H -14.939 0.143 4.721 1.00 . A A . 1 MET H1 1 1 19 5191 1 1 1 MET H2 H -15.469 -1.007 5.854 1.00 . A A . 1 MET H2 1 1 19 5192 1 1 1 MET H3 H -15.088 -1.485 4.268 1.00 . A A . 1 MET H3 1 1 19 5193 1 1 1 MET HA H -13.097 -0.319 6.143 1.00 . A A . 1 MET HA 1 1 19 5194 1 1 1 MET HB2 H -14.474 -2.754 6.311 1.00 . A A . 1 MET HB2 1 1 19 5195 1 1 1 MET HB3 H -12.937 -3.176 5.555 1.00 . A A . 1 MET HB3 1 1 19 5196 1 1 1 MET HE1 H -11.566 -4.314 10.331 1.00 . A A . 1 MET HE1 1 1 19 5197 1 1 1 MET HE2 H -12.100 -2.653 10.043 1.00 . A A . 1 MET HE2 1 1 19 5198 1 1 1 MET HE3 H -10.491 -3.164 9.540 1.00 . A A . 1 MET HE3 1 1 19 5199 1 1 1 MET HG2 H -11.900 -1.666 7.430 1.00 . A A . 1 MET HG2 1 1 19 5200 1 1 1 MET HG3 H -13.439 -1.940 8.249 1.00 . A A . 1 MET HG3 1 1 19 5201 1 1 1 MET N N -14.837 -0.840 5.044 1.00 . A A . 1 MET N 1 1 19 5202 1 1 1 MET O O -11.865 -2.116 3.952 1.00 . A A . 1 MET O 1 1 19 5203 1 1 1 MET SD S -12.179 -3.969 8.041 1.00 . A A . 1 MET SD 1 1 19 5204 1 1 2 ALA C C -10.160 0.337 2.643 1.00 . A A . 2 ALA C 1 1 19 5205 1 1 2 ALA CA C -11.599 -0.026 2.263 1.00 . A A . 2 ALA CA 1 1 19 5206 1 1 2 ALA CB C -12.207 1.055 1.370 1.00 . A A . 2 ALA CB 1 1 19 5207 1 1 2 ALA H H -12.997 0.734 3.717 1.00 . A A . 2 ALA H 1 1 19 5208 1 1 2 ALA HA H -11.627 -0.979 1.759 1.00 . A A . 2 ALA HA 1 1 19 5209 1 1 2 ALA HB1 H -13.119 0.683 0.925 1.00 . A A . 2 ALA HB1 1 1 19 5210 1 1 2 ALA HB2 H -11.507 1.315 0.590 1.00 . A A . 2 ALA HB2 1 1 19 5211 1 1 2 ALA HB3 H -12.428 1.931 1.963 1.00 . A A . 2 ALA HB3 1 1 19 5212 1 1 2 ALA N N -12.464 -0.053 3.479 1.00 . A A . 2 ALA N 1 1 19 5213 1 1 2 ALA O O -9.802 1.497 2.720 1.00 . A A . 2 ALA O 1 1 19 5214 1 1 3 THR C C -6.989 -0.682 2.082 1.00 . A A . 3 THR C 1 1 19 5215 1 1 3 THR CA C -7.917 -0.364 3.254 1.00 . A A . 3 THR CA 1 1 19 5216 1 1 3 THR CB C -7.627 -1.287 4.437 1.00 . A A . 3 THR CB 1 1 19 5217 1 1 3 THR CG2 C -8.324 -0.752 5.688 1.00 . A A . 3 THR CG2 1 1 19 5218 1 1 3 THR H H -9.644 -1.574 2.810 1.00 . A A . 3 THR H 1 1 19 5219 1 1 3 THR HA H -7.802 0.665 3.551 1.00 . A A . 3 THR HA 1 1 19 5220 1 1 3 THR HB H -6.562 -1.326 4.612 1.00 . A A . 3 THR HB 1 1 19 5221 1 1 3 THR HG1 H -7.670 -3.209 4.733 1.00 . A A . 3 THR HG1 1 1 19 5222 1 1 3 THR HG21 H -8.215 0.322 5.730 1.00 . A A . 3 THR HG21 1 1 19 5223 1 1 3 THR HG22 H -7.878 -1.195 6.566 1.00 . A A . 3 THR HG22 1 1 19 5224 1 1 3 THR HG23 H -9.374 -1.006 5.651 1.00 . A A . 3 THR HG23 1 1 19 5225 1 1 3 THR N N -9.333 -0.646 2.879 1.00 . A A . 3 THR N 1 1 19 5226 1 1 3 THR O O -5.945 -1.282 2.248 1.00 . A A . 3 THR O 1 1 19 5227 1 1 3 THR OG1 O -8.108 -2.592 4.143 1.00 . A A . 3 THR OG1 1 1 19 5228 1 1 4 LEU C C -5.284 0.357 -0.269 1.00 . A A . 4 LEU C 1 1 19 5229 1 1 4 LEU CA C -6.507 -0.558 -0.287 1.00 . A A . 4 LEU CA 1 1 19 5230 1 1 4 LEU CB C -7.389 -0.263 -1.502 1.00 . A A . 4 LEU CB 1 1 19 5231 1 1 4 LEU CD1 C -9.185 -1.496 -2.730 1.00 . A A . 4 LEU CD1 1 1 19 5232 1 1 4 LEU CD2 C -6.790 -1.806 -3.372 1.00 . A A . 4 LEU CD2 1 1 19 5233 1 1 4 LEU CG C -7.751 -1.574 -2.203 1.00 . A A . 4 LEU CG 1 1 19 5234 1 1 4 LEU H H -8.207 0.197 0.790 1.00 . A A . 4 LEU H 1 1 19 5235 1 1 4 LEU HA H -6.201 -1.589 -0.290 1.00 . A A . 4 LEU HA 1 1 19 5236 1 1 4 LEU HB2 H -8.292 0.235 -1.180 1.00 . A A . 4 LEU HB2 1 1 19 5237 1 1 4 LEU HB3 H -6.853 0.375 -2.190 1.00 . A A . 4 LEU HB3 1 1 19 5238 1 1 4 LEU HD11 H -9.247 -1.998 -3.686 1.00 . A A . 4 LEU HD11 1 1 19 5239 1 1 4 LEU HD12 H -9.470 -0.461 -2.849 1.00 . A A . 4 LEU HD12 1 1 19 5240 1 1 4 LEU HD13 H -9.852 -1.975 -2.029 1.00 . A A . 4 LEU HD13 1 1 19 5241 1 1 4 LEU HD21 H -6.619 -2.866 -3.492 1.00 . A A . 4 LEU HD21 1 1 19 5242 1 1 4 LEU HD22 H -5.853 -1.311 -3.170 1.00 . A A . 4 LEU HD22 1 1 19 5243 1 1 4 LEU HD23 H -7.221 -1.406 -4.278 1.00 . A A . 4 LEU HD23 1 1 19 5244 1 1 4 LEU HG H -7.670 -2.391 -1.501 1.00 . A A . 4 LEU HG 1 1 19 5245 1 1 4 LEU N N -7.364 -0.283 0.898 1.00 . A A . 4 LEU N 1 1 19 5246 1 1 4 LEU O O -4.162 -0.097 -0.376 1.00 . A A . 4 LEU O 1 1 19 5247 1 1 5 GLU C C -3.372 2.149 1.035 1.00 . A A . 5 GLU C 1 1 19 5248 1 1 5 GLU CA C -4.312 2.566 -0.090 1.00 . A A . 5 GLU CA 1 1 19 5249 1 1 5 GLU CB C -4.896 3.956 0.164 1.00 . A A . 5 GLU CB 1 1 19 5250 1 1 5 GLU CD C -6.387 4.460 -1.776 1.00 . A A . 5 GLU CD 1 1 19 5251 1 1 5 GLU CG C -5.010 4.713 -1.161 1.00 . A A . 5 GLU CG 1 1 19 5252 1 1 5 GLU H H -6.389 1.992 -0.031 1.00 . A A . 5 GLU H 1 1 19 5253 1 1 5 GLU HA H -3.793 2.541 -1.029 1.00 . A A . 5 GLU HA 1 1 19 5254 1 1 5 GLU HB2 H -5.874 3.860 0.611 1.00 . A A . 5 GLU HB2 1 1 19 5255 1 1 5 GLU HB3 H -4.247 4.502 0.833 1.00 . A A . 5 GLU HB3 1 1 19 5256 1 1 5 GLU HG2 H -4.883 5.771 -0.984 1.00 . A A . 5 GLU HG2 1 1 19 5257 1 1 5 GLU HG3 H -4.246 4.367 -1.840 1.00 . A A . 5 GLU HG3 1 1 19 5258 1 1 5 GLU N N -5.480 1.642 -0.124 1.00 . A A . 5 GLU N 1 1 19 5259 1 1 5 GLU O O -2.165 2.182 0.893 1.00 . A A . 5 GLU O 1 1 19 5260 1 1 5 GLU OE1 O -6.851 3.334 -1.701 1.00 . A A . 5 GLU OE1 1 1 19 5261 1 1 5 GLU OE2 O -6.954 5.397 -2.315 1.00 . A A . 5 GLU OE2 1 1 19 5262 1 1 6 LYS C C -2.279 0.020 2.807 1.00 . A A . 6 LYS C 1 1 19 5263 1 1 6 LYS CA C -3.056 1.261 3.257 1.00 . A A . 6 LYS CA 1 1 19 5264 1 1 6 LYS CB C -4.019 0.911 4.394 1.00 . A A . 6 LYS CB 1 1 19 5265 1 1 6 LYS CD C -2.646 1.816 6.275 1.00 . A A . 6 LYS CD 1 1 19 5266 1 1 6 LYS CE C -2.153 3.185 6.749 1.00 . A A . 6 LYS CE 1 1 19 5267 1 1 6 LYS CG C -3.942 1.986 5.481 1.00 . A A . 6 LYS CG 1 1 19 5268 1 1 6 LYS H H -4.891 1.680 2.221 1.00 . A A . 6 LYS H 1 1 19 5269 1 1 6 LYS HA H -2.383 2.044 3.562 1.00 . A A . 6 LYS HA 1 1 19 5270 1 1 6 LYS HB2 H -5.028 0.860 4.009 1.00 . A A . 6 LYS HB2 1 1 19 5271 1 1 6 LYS HB3 H -3.746 -0.044 4.815 1.00 . A A . 6 LYS HB3 1 1 19 5272 1 1 6 LYS HD2 H -2.830 1.182 7.132 1.00 . A A . 6 LYS HD2 1 1 19 5273 1 1 6 LYS HD3 H -1.895 1.363 5.647 1.00 . A A . 6 LYS HD3 1 1 19 5274 1 1 6 LYS HE2 H -1.100 3.141 6.991 1.00 . A A . 6 LYS HE2 1 1 19 5275 1 1 6 LYS HE3 H -2.337 3.933 5.994 1.00 . A A . 6 LYS HE3 1 1 19 5276 1 1 6 LYS HG2 H -3.959 2.964 5.022 1.00 . A A . 6 LYS HG2 1 1 19 5277 1 1 6 LYS HG3 H -4.787 1.886 6.147 1.00 . A A . 6 LYS HG3 1 1 19 5278 1 1 6 LYS HZ1 H -2.659 4.393 8.366 1.00 . A A . 6 LYS HZ1 1 1 19 5279 1 1 6 LYS HZ2 H -2.808 2.733 8.673 1.00 . A A . 6 LYS HZ2 1 1 19 5280 1 1 6 LYS HZ3 H -3.966 3.525 7.714 1.00 . A A . 6 LYS HZ3 1 1 19 5281 1 1 6 LYS N N -3.918 1.721 2.139 1.00 . A A . 6 LYS N 1 1 19 5282 1 1 6 LYS NZ N -2.957 3.481 7.967 1.00 . A A . 6 LYS NZ 1 1 19 5283 1 1 6 LYS O O -1.337 -0.402 3.449 1.00 . A A . 6 LYS O 1 1 19 5284 1 1 7 LEU C C -1.079 -1.393 0.007 1.00 . A A . 7 LEU C 1 1 19 5285 1 1 7 LEU CA C -1.969 -1.771 1.201 1.00 . A A . 7 LEU CA 1 1 19 5286 1 1 7 LEU CB C -3.104 -2.743 0.815 1.00 . A A . 7 LEU CB 1 1 19 5287 1 1 7 LEU CD1 C -2.221 -3.795 -1.277 1.00 . A A . 7 LEU CD1 1 1 19 5288 1 1 7 LEU CD2 C -4.668 -3.370 -1.032 1.00 . A A . 7 LEU CD2 1 1 19 5289 1 1 7 LEU CG C -3.268 -2.840 -0.705 1.00 . A A . 7 LEU CG 1 1 19 5290 1 1 7 LEU H H -3.429 -0.215 1.195 1.00 . A A . 7 LEU H 1 1 19 5291 1 1 7 LEU HA H -1.376 -2.196 1.987 1.00 . A A . 7 LEU HA 1 1 19 5292 1 1 7 LEU HB2 H -2.882 -3.722 1.209 1.00 . A A . 7 LEU HB2 1 1 19 5293 1 1 7 LEU HB3 H -4.030 -2.391 1.248 1.00 . A A . 7 LEU HB3 1 1 19 5294 1 1 7 LEU HD11 H -1.949 -3.475 -2.273 1.00 . A A . 7 LEU HD11 1 1 19 5295 1 1 7 LEU HD12 H -2.628 -4.793 -1.318 1.00 . A A . 7 LEU HD12 1 1 19 5296 1 1 7 LEU HD13 H -1.344 -3.789 -0.646 1.00 . A A . 7 LEU HD13 1 1 19 5297 1 1 7 LEU HD21 H -4.596 -4.389 -1.383 1.00 . A A . 7 LEU HD21 1 1 19 5298 1 1 7 LEU HD22 H -5.115 -2.756 -1.800 1.00 . A A . 7 LEU HD22 1 1 19 5299 1 1 7 LEU HD23 H -5.282 -3.339 -0.144 1.00 . A A . 7 LEU HD23 1 1 19 5300 1 1 7 LEU HG H -3.141 -1.862 -1.143 1.00 . A A . 7 LEU HG 1 1 19 5301 1 1 7 LEU N N -2.671 -0.568 1.699 1.00 . A A . 7 LEU N 1 1 19 5302 1 1 7 LEU O O -0.064 -2.013 -0.247 1.00 . A A . 7 LEU O 1 1 19 5303 1 1 8 MET C C 0.598 0.817 -1.417 1.00 . A A . 8 MET C 1 1 19 5304 1 1 8 MET CA C -0.644 0.057 -1.891 1.00 . A A . 8 MET CA 1 1 19 5305 1 1 8 MET CB C -1.562 0.978 -2.697 1.00 . A A . 8 MET CB 1 1 19 5306 1 1 8 MET CE C -0.794 0.309 -6.676 1.00 . A A . 8 MET CE 1 1 19 5307 1 1 8 MET CG C -0.995 1.162 -4.106 1.00 . A A . 8 MET CG 1 1 19 5308 1 1 8 MET H H -2.273 0.109 -0.495 1.00 . A A . 8 MET H 1 1 19 5309 1 1 8 MET HA H -0.365 -0.795 -2.484 1.00 . A A . 8 MET HA 1 1 19 5310 1 1 8 MET HB2 H -2.547 0.539 -2.758 1.00 . A A . 8 MET HB2 1 1 19 5311 1 1 8 MET HB3 H -1.625 1.939 -2.208 1.00 . A A . 8 MET HB3 1 1 19 5312 1 1 8 MET HE1 H -1.552 1.019 -6.976 1.00 . A A . 8 MET HE1 1 1 19 5313 1 1 8 MET HE2 H -0.740 -0.496 -7.396 1.00 . A A . 8 MET HE2 1 1 19 5314 1 1 8 MET HE3 H 0.161 0.807 -6.624 1.00 . A A . 8 MET HE3 1 1 19 5315 1 1 8 MET HG2 H -1.516 1.969 -4.601 1.00 . A A . 8 MET HG2 1 1 19 5316 1 1 8 MET HG3 H 0.057 1.398 -4.043 1.00 . A A . 8 MET HG3 1 1 19 5317 1 1 8 MET N N -1.456 -0.373 -0.721 1.00 . A A . 8 MET N 1 1 19 5318 1 1 8 MET O O 1.709 0.515 -1.809 1.00 . A A . 8 MET O 1 1 19 5319 1 1 8 MET SD S -1.215 -0.366 -5.050 1.00 . A A . 8 MET SD 1 1 19 5320 1 1 9 LYS C C 2.641 1.642 0.525 1.00 . A A . 9 LYS C 1 1 19 5321 1 1 9 LYS CA C 1.585 2.580 -0.063 1.00 . A A . 9 LYS CA 1 1 19 5322 1 1 9 LYS CB C 1.013 3.490 1.028 1.00 . A A . 9 LYS CB 1 1 19 5323 1 1 9 LYS CD C -0.633 5.135 0.112 1.00 . A A . 9 LYS CD 1 1 19 5324 1 1 9 LYS CE C -0.974 6.619 0.270 1.00 . A A . 9 LYS CE 1 1 19 5325 1 1 9 LYS CG C 0.836 4.907 0.476 1.00 . A A . 9 LYS CG 1 1 19 5326 1 1 9 LYS H H -0.489 2.021 -0.270 1.00 . A A . 9 LYS H 1 1 19 5327 1 1 9 LYS HA H 2.016 3.175 -0.852 1.00 . A A . 9 LYS HA 1 1 19 5328 1 1 9 LYS HB2 H 0.056 3.106 1.349 1.00 . A A . 9 LYS HB2 1 1 19 5329 1 1 9 LYS HB3 H 1.691 3.516 1.867 1.00 . A A . 9 LYS HB3 1 1 19 5330 1 1 9 LYS HD2 H -0.802 4.832 -0.911 1.00 . A A . 9 LYS HD2 1 1 19 5331 1 1 9 LYS HD3 H -1.261 4.552 0.769 1.00 . A A . 9 LYS HD3 1 1 19 5332 1 1 9 LYS HE2 H -0.677 6.969 1.248 1.00 . A A . 9 LYS HE2 1 1 19 5333 1 1 9 LYS HE3 H -0.493 7.199 -0.501 1.00 . A A . 9 LYS HE3 1 1 19 5334 1 1 9 LYS HG2 H 1.136 5.625 1.226 1.00 . A A . 9 LYS HG2 1 1 19 5335 1 1 9 LYS HG3 H 1.446 5.031 -0.406 1.00 . A A . 9 LYS HG3 1 1 19 5336 1 1 9 LYS HZ1 H -2.759 7.683 0.168 1.00 . A A . 9 LYS HZ1 1 1 19 5337 1 1 9 LYS HZ2 H -2.909 6.151 0.878 1.00 . A A . 9 LYS HZ2 1 1 19 5338 1 1 9 LYS HZ3 H -2.726 6.290 -0.804 1.00 . A A . 9 LYS HZ3 1 1 19 5339 1 1 9 LYS N N 0.417 1.798 -0.572 1.00 . A A . 9 LYS N 1 1 19 5340 1 1 9 LYS NZ N -2.453 6.691 0.116 1.00 . A A . 9 LYS NZ 1 1 19 5341 1 1 9 LYS O O 3.800 1.986 0.619 1.00 . A A . 9 LYS O 1 1 19 5342 1 1 10 ALA C C 4.197 -0.974 0.399 1.00 . A A . 10 ALA C 1 1 19 5343 1 1 10 ALA CA C 3.239 -0.492 1.491 1.00 . A A . 10 ALA CA 1 1 19 5344 1 1 10 ALA CB C 2.406 -1.658 2.024 1.00 . A A . 10 ALA CB 1 1 19 5345 1 1 10 ALA H H 1.314 0.200 0.836 1.00 . A A . 10 ALA H 1 1 19 5346 1 1 10 ALA HA H 3.784 -0.029 2.295 1.00 . A A . 10 ALA HA 1 1 19 5347 1 1 10 ALA HB1 H 2.108 -2.294 1.202 1.00 . A A . 10 ALA HB1 1 1 19 5348 1 1 10 ALA HB2 H 1.526 -1.276 2.520 1.00 . A A . 10 ALA HB2 1 1 19 5349 1 1 10 ALA HB3 H 2.995 -2.231 2.725 1.00 . A A . 10 ALA HB3 1 1 19 5350 1 1 10 ALA N N 2.252 0.460 0.918 1.00 . A A . 10 ALA N 1 1 19 5351 1 1 10 ALA O O 5.397 -0.837 0.508 1.00 . A A . 10 ALA O 1 1 19 5352 1 1 11 PHE C C 5.488 -0.928 -2.251 1.00 . A A . 11 PHE C 1 1 19 5353 1 1 11 PHE CA C 4.548 -2.033 -1.756 1.00 . A A . 11 PHE CA 1 1 19 5354 1 1 11 PHE CB C 3.582 -2.451 -2.868 1.00 . A A . 11 PHE CB 1 1 19 5355 1 1 11 PHE CD1 C 2.782 -4.169 -1.176 1.00 . A A . 11 PHE CD1 1 1 19 5356 1 1 11 PHE CD2 C 1.335 -3.583 -3.032 1.00 . A A . 11 PHE CD2 1 1 19 5357 1 1 11 PHE CE1 C 1.812 -5.062 -0.703 1.00 . A A . 11 PHE CE1 1 1 19 5358 1 1 11 PHE CE2 C 0.367 -4.475 -2.559 1.00 . A A . 11 PHE CE2 1 1 19 5359 1 1 11 PHE CG C 2.544 -3.427 -2.343 1.00 . A A . 11 PHE CG 1 1 19 5360 1 1 11 PHE CZ C 0.604 -5.214 -1.395 1.00 . A A . 11 PHE CZ 1 1 19 5361 1 1 11 PHE H H 2.703 -1.631 -0.729 1.00 . A A . 11 PHE H 1 1 19 5362 1 1 11 PHE HA H 5.118 -2.885 -1.424 1.00 . A A . 11 PHE HA 1 1 19 5363 1 1 11 PHE HB2 H 3.080 -1.573 -3.246 1.00 . A A . 11 PHE HB2 1 1 19 5364 1 1 11 PHE HB3 H 4.138 -2.916 -3.665 1.00 . A A . 11 PHE HB3 1 1 19 5365 1 1 11 PHE HD1 H 3.712 -4.053 -0.642 1.00 . A A . 11 PHE HD1 1 1 19 5366 1 1 11 PHE HD2 H 1.149 -3.013 -3.930 1.00 . A A . 11 PHE HD2 1 1 19 5367 1 1 11 PHE HE1 H 1.994 -5.630 0.196 1.00 . A A . 11 PHE HE1 1 1 19 5368 1 1 11 PHE HE2 H -0.566 -4.591 -3.092 1.00 . A A . 11 PHE HE2 1 1 19 5369 1 1 11 PHE HZ H -0.143 -5.903 -1.030 1.00 . A A . 11 PHE HZ 1 1 19 5370 1 1 11 PHE N N 3.674 -1.535 -0.656 1.00 . A A . 11 PHE N 1 1 19 5371 1 1 11 PHE O O 6.506 -1.196 -2.859 1.00 . A A . 11 PHE O 1 1 19 5372 1 1 12 GLU C C 6.806 2.024 -1.296 1.00 . A A . 12 GLU C 1 1 19 5373 1 1 12 GLU CA C 6.025 1.424 -2.468 1.00 . A A . 12 GLU CA 1 1 19 5374 1 1 12 GLU CB C 5.056 2.459 -3.042 1.00 . A A . 12 GLU CB 1 1 19 5375 1 1 12 GLU CD C 4.237 3.555 -5.134 1.00 . A A . 12 GLU CD 1 1 19 5376 1 1 12 GLU CG C 5.249 2.563 -4.556 1.00 . A A . 12 GLU CG 1 1 19 5377 1 1 12 GLU H H 4.326 0.505 -1.518 1.00 . A A . 12 GLU H 1 1 19 5378 1 1 12 GLU HA H 6.698 1.083 -3.237 1.00 . A A . 12 GLU HA 1 1 19 5379 1 1 12 GLU HB2 H 4.041 2.159 -2.825 1.00 . A A . 12 GLU HB2 1 1 19 5380 1 1 12 GLU HB3 H 5.249 3.420 -2.589 1.00 . A A . 12 GLU HB3 1 1 19 5381 1 1 12 GLU HG2 H 6.252 2.905 -4.769 1.00 . A A . 12 GLU HG2 1 1 19 5382 1 1 12 GLU HG3 H 5.097 1.593 -5.005 1.00 . A A . 12 GLU HG3 1 1 19 5383 1 1 12 GLU N N 5.153 0.308 -2.003 1.00 . A A . 12 GLU N 1 1 19 5384 1 1 12 GLU O O 7.980 2.318 -1.406 1.00 . A A . 12 GLU O 1 1 19 5385 1 1 12 GLU OE1 O 3.061 3.408 -4.844 1.00 . A A . 12 GLU OE1 1 1 19 5386 1 1 12 GLU OE2 O 4.656 4.443 -5.858 1.00 . A A . 12 GLU OE2 1 1 19 5387 1 1 13 SER C C 7.623 1.779 1.789 1.00 . A A . 13 SER C 1 1 19 5388 1 1 13 SER CA C 6.861 2.836 0.984 1.00 . A A . 13 SER CA 1 1 19 5389 1 1 13 SER CB C 5.755 3.464 1.830 1.00 . A A . 13 SER CB 1 1 19 5390 1 1 13 SER H H 5.211 2.004 -0.119 1.00 . A A . 13 SER H 1 1 19 5391 1 1 13 SER HA H 7.534 3.595 0.644 1.00 . A A . 13 SER HA 1 1 19 5392 1 1 13 SER HB2 H 5.113 4.059 1.203 1.00 . A A . 13 SER HB2 1 1 19 5393 1 1 13 SER HB3 H 5.173 2.681 2.299 1.00 . A A . 13 SER HB3 1 1 19 5394 1 1 13 SER HG H 6.080 5.202 2.643 1.00 . A A . 13 SER HG 1 1 19 5395 1 1 13 SER N N 6.159 2.230 -0.182 1.00 . A A . 13 SER N 1 1 19 5396 1 1 13 SER O O 8.611 2.076 2.433 1.00 . A A . 13 SER O 1 1 19 5397 1 1 13 SER OG O 6.340 4.296 2.823 1.00 . A A . 13 SER OG 1 1 19 5398 1 1 14 LEU C C 9.358 -0.579 2.104 1.00 . A A . 14 LEU C 1 1 19 5399 1 1 14 LEU CA C 7.890 -0.512 2.538 1.00 . A A . 14 LEU CA 1 1 19 5400 1 1 14 LEU CB C 7.157 -1.821 2.207 1.00 . A A . 14 LEU CB 1 1 19 5401 1 1 14 LEU CD1 C 9.037 -3.415 2.713 1.00 . A A . 14 LEU CD1 1 1 19 5402 1 1 14 LEU CD2 C 7.641 -2.508 4.583 1.00 . A A . 14 LEU CD2 1 1 19 5403 1 1 14 LEU CG C 7.631 -2.967 3.120 1.00 . A A . 14 LEU CG 1 1 19 5404 1 1 14 LEU H H 6.379 0.339 1.239 1.00 . A A . 14 LEU H 1 1 19 5405 1 1 14 LEU HA H 7.821 -0.308 3.594 1.00 . A A . 14 LEU HA 1 1 19 5406 1 1 14 LEU HB2 H 6.097 -1.677 2.346 1.00 . A A . 14 LEU HB2 1 1 19 5407 1 1 14 LEU HB3 H 7.349 -2.084 1.177 1.00 . A A . 14 LEU HB3 1 1 19 5408 1 1 14 LEU HD11 H 9.273 -3.026 1.734 1.00 . A A . 14 LEU HD11 1 1 19 5409 1 1 14 LEU HD12 H 9.077 -4.495 2.690 1.00 . A A . 14 LEU HD12 1 1 19 5410 1 1 14 LEU HD13 H 9.756 -3.045 3.430 1.00 . A A . 14 LEU HD13 1 1 19 5411 1 1 14 LEU HD21 H 6.772 -1.898 4.775 1.00 . A A . 14 LEU HD21 1 1 19 5412 1 1 14 LEU HD22 H 8.535 -1.932 4.774 1.00 . A A . 14 LEU HD22 1 1 19 5413 1 1 14 LEU HD23 H 7.624 -3.372 5.230 1.00 . A A . 14 LEU HD23 1 1 19 5414 1 1 14 LEU HG H 6.953 -3.802 3.014 1.00 . A A . 14 LEU HG 1 1 19 5415 1 1 14 LEU N N 7.178 0.555 1.763 1.00 . A A . 14 LEU N 1 1 19 5416 1 1 14 LEU O O 10.224 -0.960 2.868 1.00 . A A . 14 LEU O 1 1 19 5417 1 1 15 LYS C C 11.876 0.826 1.142 1.00 . A A . 15 LYS C 1 1 19 5418 1 1 15 LYS CA C 11.055 -0.233 0.407 1.00 . A A . 15 LYS CA 1 1 19 5419 1 1 15 LYS CB C 10.974 0.094 -1.083 1.00 . A A . 15 LYS CB 1 1 19 5420 1 1 15 LYS CD C 12.160 -1.686 -2.384 1.00 . A A . 15 LYS CD 1 1 19 5421 1 1 15 LYS CE C 12.525 -3.000 -1.689 1.00 . A A . 15 LYS CE 1 1 19 5422 1 1 15 LYS CG C 10.796 -1.200 -1.882 1.00 . A A . 15 LYS CG 1 1 19 5423 1 1 15 LYS H H 8.932 0.111 0.292 1.00 . A A . 15 LYS H 1 1 19 5424 1 1 15 LYS HA H 11.483 -1.210 0.545 1.00 . A A . 15 LYS HA 1 1 19 5425 1 1 15 LYS HB2 H 10.134 0.748 -1.262 1.00 . A A . 15 LYS HB2 1 1 19 5426 1 1 15 LYS HB3 H 11.885 0.584 -1.392 1.00 . A A . 15 LYS HB3 1 1 19 5427 1 1 15 LYS HD2 H 12.113 -1.845 -3.452 1.00 . A A . 15 LYS HD2 1 1 19 5428 1 1 15 LYS HD3 H 12.912 -0.944 -2.164 1.00 . A A . 15 LYS HD3 1 1 19 5429 1 1 15 LYS HE2 H 12.165 -2.997 -0.669 1.00 . A A . 15 LYS HE2 1 1 19 5430 1 1 15 LYS HE3 H 12.117 -3.839 -2.230 1.00 . A A . 15 LYS HE3 1 1 19 5431 1 1 15 LYS HG2 H 10.353 -1.955 -1.248 1.00 . A A . 15 LYS HG2 1 1 19 5432 1 1 15 LYS HG3 H 10.150 -1.013 -2.726 1.00 . A A . 15 LYS HG3 1 1 19 5433 1 1 15 LYS HZ1 H 14.396 -2.236 -1.194 1.00 . A A . 15 LYS HZ1 1 1 19 5434 1 1 15 LYS HZ2 H 14.343 -3.009 -2.702 1.00 . A A . 15 LYS HZ2 1 1 19 5435 1 1 15 LYS HZ3 H 14.340 -3.932 -1.276 1.00 . A A . 15 LYS HZ3 1 1 19 5436 1 1 15 LYS N N 9.644 -0.202 0.887 1.00 . A A . 15 LYS N 1 1 19 5437 1 1 15 LYS NZ N 14.013 -3.048 -1.717 1.00 . A A . 15 LYS NZ 1 1 19 5438 1 1 15 LYS O O 12.804 0.522 1.865 1.00 . A A . 15 LYS O 1 1 19 5439 1 1 16 SER C C 11.792 4.520 1.018 1.00 . A A . 16 SER C 1 1 19 5440 1 1 16 SER CA C 12.255 3.195 1.625 1.00 . A A . 16 SER CA 1 1 19 5441 1 1 16 SER CB C 13.742 2.967 1.331 1.00 . A A . 16 SER CB 1 1 19 5442 1 1 16 SER H H 10.767 2.271 0.370 1.00 . A A . 16 SER H 1 1 19 5443 1 1 16 SER HA H 12.077 3.182 2.685 1.00 . A A . 16 SER HA 1 1 19 5444 1 1 16 SER HB2 H 14.147 2.261 2.037 1.00 . A A . 16 SER HB2 1 1 19 5445 1 1 16 SER HB3 H 13.854 2.575 0.329 1.00 . A A . 16 SER HB3 1 1 19 5446 1 1 16 SER HG H 14.400 4.474 2.371 1.00 . A A . 16 SER HG 1 1 19 5447 1 1 16 SER N N 11.526 2.070 0.956 1.00 . A A . 16 SER N 1 1 19 5448 1 1 16 SER O O 11.765 5.547 1.669 1.00 . A A . 16 SER O 1 1 19 5449 1 1 16 SER OG O 14.442 4.199 1.452 1.00 . A A . 16 SER OG 1 1 19 5450 1 1 17 PHE C C 9.435 5.842 -0.808 1.00 . A A . 17 PHE C 1 1 19 5451 1 1 17 PHE CA C 10.956 5.718 -0.922 1.00 . A A . 17 PHE CA 1 1 19 5452 1 1 17 PHE CB C 11.371 5.557 -2.394 1.00 . A A . 17 PHE CB 1 1 19 5453 1 1 17 PHE CD1 C 9.849 3.659 -3.083 1.00 . A A . 17 PHE CD1 1 1 19 5454 1 1 17 PHE CD2 C 12.245 3.281 -3.033 1.00 . A A . 17 PHE CD2 1 1 19 5455 1 1 17 PHE CE1 C 9.653 2.335 -3.500 1.00 . A A . 17 PHE CE1 1 1 19 5456 1 1 17 PHE CE2 C 12.047 1.959 -3.449 1.00 . A A . 17 PHE CE2 1 1 19 5457 1 1 17 PHE CG C 11.148 4.132 -2.851 1.00 . A A . 17 PHE CG 1 1 19 5458 1 1 17 PHE CZ C 10.751 1.487 -3.683 1.00 . A A . 17 PHE CZ 1 1 19 5459 1 1 17 PHE H H 11.464 3.646 -0.711 1.00 . A A . 17 PHE H 1 1 19 5460 1 1 17 PHE HA H 11.435 6.580 -0.500 1.00 . A A . 17 PHE HA 1 1 19 5461 1 1 17 PHE HB2 H 10.782 6.224 -3.006 1.00 . A A . 17 PHE HB2 1 1 19 5462 1 1 17 PHE HB3 H 12.417 5.807 -2.500 1.00 . A A . 17 PHE HB3 1 1 19 5463 1 1 17 PHE HD1 H 9.001 4.313 -2.941 1.00 . A A . 17 PHE HD1 1 1 19 5464 1 1 17 PHE HD2 H 13.245 3.645 -2.852 1.00 . A A . 17 PHE HD2 1 1 19 5465 1 1 17 PHE HE1 H 8.653 1.968 -3.677 1.00 . A A . 17 PHE HE1 1 1 19 5466 1 1 17 PHE HE2 H 12.894 1.301 -3.585 1.00 . A A . 17 PHE HE2 1 1 19 5467 1 1 17 PHE HZ H 10.597 0.467 -4.003 1.00 . A A . 17 PHE HZ 1 1 19 5468 1 1 17 PHE N N 11.428 4.487 -0.229 1.00 . A A . 17 PHE N 1 1 19 5469 1 1 17 PHE O O 8.731 4.853 -0.749 1.00 . A A . 17 PHE O 1 1 19 5470 1 1 18 NH2 HN1 H 7.919 7.120 -0.706 1.00 . A A . 18 NH2 HN1 1 1 19 5471 1 1 18 NH2 HN2 H 9.457 7.827 -0.825 1.00 . A A . 18 NH2 HN2 1 1 19 5472 1 1 18 NH2 N N 8.892 7.029 -0.777 1.00 . A A . 18 NH2 N 1 1 20 5473 1 1 1 MET C C -12.802 -0.975 1.152 1.00 . A A . 1 MET C 1 1 20 5474 1 1 1 MET CA C -12.894 -1.989 0.008 1.00 . A A . 1 MET CA 1 1 20 5475 1 1 1 MET CB C -14.346 -2.155 -0.451 1.00 . A A . 1 MET CB 1 1 20 5476 1 1 1 MET CE C -17.330 -1.255 1.623 1.00 . A A . 1 MET CE 1 1 20 5477 1 1 1 MET CG C -15.200 -2.676 0.708 1.00 . A A . 1 MET CG 1 1 20 5478 1 1 1 MET H1 H -12.957 -3.560 1.375 1.00 . A A . 1 MET H1 1 1 20 5479 1 1 1 MET H2 H -11.447 -3.355 0.624 1.00 . A A . 1 MET H2 1 1 20 5480 1 1 1 MET H3 H -12.737 -4.053 -0.233 1.00 . A A . 1 MET H3 1 1 20 5481 1 1 1 MET HA H -12.281 -1.676 -0.822 1.00 . A A . 1 MET HA 1 1 20 5482 1 1 1 MET HB2 H -14.730 -1.201 -0.781 1.00 . A A . 1 MET HB2 1 1 20 5483 1 1 1 MET HB3 H -14.386 -2.860 -1.268 1.00 . A A . 1 MET HB3 1 1 20 5484 1 1 1 MET HE1 H -17.786 -1.767 2.459 1.00 . A A . 1 MET HE1 1 1 20 5485 1 1 1 MET HE2 H -18.009 -0.505 1.239 1.00 . A A . 1 MET HE2 1 1 20 5486 1 1 1 MET HE3 H -16.420 -0.777 1.949 1.00 . A A . 1 MET HE3 1 1 20 5487 1 1 1 MET HG2 H -14.998 -3.726 0.861 1.00 . A A . 1 MET HG2 1 1 20 5488 1 1 1 MET HG3 H -14.959 -2.130 1.609 1.00 . A A . 1 MET HG3 1 1 20 5489 1 1 1 MET N N -12.477 -3.342 0.479 1.00 . A A . 1 MET N 1 1 20 5490 1 1 1 MET O O -13.513 0.011 1.178 1.00 . A A . 1 MET O 1 1 20 5491 1 1 1 MET SD S -16.953 -2.450 0.316 1.00 . A A . 1 MET SD 1 1 20 5492 1 1 2 ALA C C -10.333 -0.182 3.697 1.00 . A A . 2 ALA C 1 1 20 5493 1 1 2 ALA CA C -11.794 -0.261 3.241 1.00 . A A . 2 ALA CA 1 1 20 5494 1 1 2 ALA CB C -12.667 -0.848 4.350 1.00 . A A . 2 ALA CB 1 1 20 5495 1 1 2 ALA H H -11.370 -2.012 2.058 1.00 . A A . 2 ALA H 1 1 20 5496 1 1 2 ALA HA H -12.157 0.716 2.967 1.00 . A A . 2 ALA HA 1 1 20 5497 1 1 2 ALA HB1 H -12.596 -0.228 5.232 1.00 . A A . 2 ALA HB1 1 1 20 5498 1 1 2 ALA HB2 H -12.329 -1.847 4.584 1.00 . A A . 2 ALA HB2 1 1 20 5499 1 1 2 ALA HB3 H -13.695 -0.885 4.018 1.00 . A A . 2 ALA HB3 1 1 20 5500 1 1 2 ALA N N -11.932 -1.211 2.099 1.00 . A A . 2 ALA N 1 1 20 5501 1 1 2 ALA O O -10.043 0.183 4.819 1.00 . A A . 2 ALA O 1 1 20 5502 1 1 3 THR C C -7.085 -0.693 1.988 1.00 . A A . 3 THR C 1 1 20 5503 1 1 3 THR CA C -7.966 -0.464 3.218 1.00 . A A . 3 THR CA 1 1 20 5504 1 1 3 THR CB C -7.775 -1.591 4.239 1.00 . A A . 3 THR CB 1 1 20 5505 1 1 3 THR CG2 C -8.178 -2.932 3.619 1.00 . A A . 3 THR CG2 1 1 20 5506 1 1 3 THR H H -9.664 -0.812 1.935 1.00 . A A . 3 THR H 1 1 20 5507 1 1 3 THR HA H -7.736 0.487 3.672 1.00 . A A . 3 THR HA 1 1 20 5508 1 1 3 THR HB H -8.392 -1.401 5.103 1.00 . A A . 3 THR HB 1 1 20 5509 1 1 3 THR HG1 H -5.893 -1.918 3.875 1.00 . A A . 3 THR HG1 1 1 20 5510 1 1 3 THR HG21 H -8.346 -2.806 2.559 1.00 . A A . 3 THR HG21 1 1 20 5511 1 1 3 THR HG22 H -9.083 -3.288 4.087 1.00 . A A . 3 THR HG22 1 1 20 5512 1 1 3 THR HG23 H -7.387 -3.652 3.774 1.00 . A A . 3 THR HG23 1 1 20 5513 1 1 3 THR N N -9.409 -0.521 2.835 1.00 . A A . 3 THR N 1 1 20 5514 1 1 3 THR O O -6.132 -1.447 2.026 1.00 . A A . 3 THR O 1 1 20 5515 1 1 3 THR OG1 O -6.412 -1.642 4.633 1.00 . A A . 3 THR OG1 1 1 20 5516 1 1 4 LEU C C -5.319 0.618 -0.267 1.00 . A A . 4 LEU C 1 1 20 5517 1 1 4 LEU CA C -6.592 -0.226 -0.340 1.00 . A A . 4 LEU CA 1 1 20 5518 1 1 4 LEU CB C -7.499 0.253 -1.479 1.00 . A A . 4 LEU CB 1 1 20 5519 1 1 4 LEU CD1 C -7.524 -1.880 -2.798 1.00 . A A . 4 LEU CD1 1 1 20 5520 1 1 4 LEU CD2 C -9.006 -1.644 -0.800 1.00 . A A . 4 LEU CD2 1 1 20 5521 1 1 4 LEU CG C -8.376 -0.903 -1.986 1.00 . A A . 4 LEU CG 1 1 20 5522 1 1 4 LEU H H -8.172 0.547 0.891 1.00 . A A . 4 LEU H 1 1 20 5523 1 1 4 LEU HA H -6.342 -1.262 -0.474 1.00 . A A . 4 LEU HA 1 1 20 5524 1 1 4 LEU HB2 H -8.132 1.051 -1.120 1.00 . A A . 4 LEU HB2 1 1 20 5525 1 1 4 LEU HB3 H -6.889 0.620 -2.292 1.00 . A A . 4 LEU HB3 1 1 20 5526 1 1 4 LEU HD11 H -6.657 -1.366 -3.185 1.00 . A A . 4 LEU HD11 1 1 20 5527 1 1 4 LEU HD12 H -8.108 -2.270 -3.619 1.00 . A A . 4 LEU HD12 1 1 20 5528 1 1 4 LEU HD13 H -7.207 -2.694 -2.163 1.00 . A A . 4 LEU HD13 1 1 20 5529 1 1 4 LEU HD21 H -9.745 -2.343 -1.164 1.00 . A A . 4 LEU HD21 1 1 20 5530 1 1 4 LEU HD22 H -9.478 -0.932 -0.139 1.00 . A A . 4 LEU HD22 1 1 20 5531 1 1 4 LEU HD23 H -8.238 -2.180 -0.262 1.00 . A A . 4 LEU HD23 1 1 20 5532 1 1 4 LEU HG H -9.158 -0.505 -2.617 1.00 . A A . 4 LEU HG 1 1 20 5533 1 1 4 LEU N N -7.400 -0.050 0.897 1.00 . A A . 4 LEU N 1 1 20 5534 1 1 4 LEU O O -4.224 0.107 -0.397 1.00 . A A . 4 LEU O 1 1 20 5535 1 1 5 GLU C C -3.316 2.217 1.141 1.00 . A A . 5 GLU C 1 1 20 5536 1 1 5 GLU CA C -4.224 2.752 0.041 1.00 . A A . 5 GLU CA 1 1 20 5537 1 1 5 GLU CB C -4.730 4.154 0.379 1.00 . A A . 5 GLU CB 1 1 20 5538 1 1 5 GLU CD C -4.830 6.463 -0.566 1.00 . A A . 5 GLU CD 1 1 20 5539 1 1 5 GLU CG C -4.861 4.972 -0.907 1.00 . A A . 5 GLU CG 1 1 20 5540 1 1 5 GLU H H -6.331 2.300 0.061 1.00 . A A . 5 GLU H 1 1 20 5541 1 1 5 GLU HA H -3.702 2.755 -0.899 1.00 . A A . 5 GLU HA 1 1 20 5542 1 1 5 GLU HB2 H -5.694 4.082 0.861 1.00 . A A . 5 GLU HB2 1 1 20 5543 1 1 5 GLU HB3 H -4.030 4.638 1.041 1.00 . A A . 5 GLU HB3 1 1 20 5544 1 1 5 GLU HG2 H -4.042 4.736 -1.570 1.00 . A A . 5 GLU HG2 1 1 20 5545 1 1 5 GLU HG3 H -5.798 4.736 -1.391 1.00 . A A . 5 GLU HG3 1 1 20 5546 1 1 5 GLU N N -5.443 1.901 -0.049 1.00 . A A . 5 GLU N 1 1 20 5547 1 1 5 GLU O O -2.107 2.231 1.027 1.00 . A A . 5 GLU O 1 1 20 5548 1 1 5 GLU OE1 O -4.165 6.818 0.393 1.00 . A A . 5 GLU OE1 1 1 20 5549 1 1 5 GLU OE2 O -5.472 7.226 -1.270 1.00 . A A . 5 GLU OE2 1 1 20 5550 1 1 6 LYS C C -2.355 -0.117 2.758 1.00 . A A . 6 LYS C 1 1 20 5551 1 1 6 LYS CA C -3.071 1.132 3.283 1.00 . A A . 6 LYS CA 1 1 20 5552 1 1 6 LYS CB C -4.064 0.757 4.387 1.00 . A A . 6 LYS CB 1 1 20 5553 1 1 6 LYS CD C -4.176 0.751 6.884 1.00 . A A . 6 LYS CD 1 1 20 5554 1 1 6 LYS CE C -4.429 1.704 8.055 1.00 . A A . 6 LYS CE 1 1 20 5555 1 1 6 LYS CG C -3.747 1.554 5.654 1.00 . A A . 6 LYS CG 1 1 20 5556 1 1 6 LYS H H -4.870 1.685 2.250 1.00 . A A . 6 LYS H 1 1 20 5557 1 1 6 LYS HA H -2.363 1.857 3.644 1.00 . A A . 6 LYS HA 1 1 20 5558 1 1 6 LYS HB2 H -5.068 0.983 4.060 1.00 . A A . 6 LYS HB2 1 1 20 5559 1 1 6 LYS HB3 H -3.984 -0.299 4.599 1.00 . A A . 6 LYS HB3 1 1 20 5560 1 1 6 LYS HD2 H -5.082 0.205 6.660 1.00 . A A . 6 LYS HD2 1 1 20 5561 1 1 6 LYS HD3 H -3.394 0.057 7.152 1.00 . A A . 6 LYS HD3 1 1 20 5562 1 1 6 LYS HE2 H -4.040 1.284 8.971 1.00 . A A . 6 LYS HE2 1 1 20 5563 1 1 6 LYS HE3 H -3.981 2.667 7.861 1.00 . A A . 6 LYS HE3 1 1 20 5564 1 1 6 LYS HG2 H -2.686 1.747 5.703 1.00 . A A . 6 LYS HG2 1 1 20 5565 1 1 6 LYS HG3 H -4.284 2.491 5.635 1.00 . A A . 6 LYS HG3 1 1 20 5566 1 1 6 LYS HZ1 H -6.258 2.330 7.282 1.00 . A A . 6 LYS HZ1 1 1 20 5567 1 1 6 LYS HZ2 H -6.167 2.385 8.976 1.00 . A A . 6 LYS HZ2 1 1 20 5568 1 1 6 LYS HZ3 H -6.341 0.892 8.183 1.00 . A A . 6 LYS HZ3 1 1 20 5569 1 1 6 LYS N N -3.895 1.709 2.192 1.00 . A A . 6 LYS N 1 1 20 5570 1 1 6 LYS NZ N -5.910 1.838 8.130 1.00 . A A . 6 LYS NZ 1 1 20 5571 1 1 6 LYS O O -1.463 -0.646 3.392 1.00 . A A . 6 LYS O 1 1 20 5572 1 1 7 LEU C C -1.192 -1.413 -0.138 1.00 . A A . 7 LEU C 1 1 20 5573 1 1 7 LEU CA C -2.112 -1.802 1.030 1.00 . A A . 7 LEU CA 1 1 20 5574 1 1 7 LEU CB C -3.301 -2.674 0.576 1.00 . A A . 7 LEU CB 1 1 20 5575 1 1 7 LEU CD1 C -2.430 -3.635 -1.567 1.00 . A A . 7 LEU CD1 1 1 20 5576 1 1 7 LEU CD2 C -4.859 -3.108 -1.333 1.00 . A A . 7 LEU CD2 1 1 20 5577 1 1 7 LEU CG C -3.443 -2.667 -0.951 1.00 . A A . 7 LEU CG 1 1 20 5578 1 1 7 LEU H H -3.472 -0.161 1.108 1.00 . A A . 7 LEU H 1 1 20 5579 1 1 7 LEU HA H -1.555 -2.313 1.790 1.00 . A A . 7 LEU HA 1 1 20 5580 1 1 7 LEU HB2 H -3.150 -3.686 0.914 1.00 . A A . 7 LEU HB2 1 1 20 5581 1 1 7 LEU HB3 H -4.211 -2.286 1.014 1.00 . A A . 7 LEU HB3 1 1 20 5582 1 1 7 LEU HD11 H -1.636 -3.825 -0.860 1.00 . A A . 7 LEU HD11 1 1 20 5583 1 1 7 LEU HD12 H -2.015 -3.198 -2.463 1.00 . A A . 7 LEU HD12 1 1 20 5584 1 1 7 LEU HD13 H -2.921 -4.565 -1.814 1.00 . A A . 7 LEU HD13 1 1 20 5585 1 1 7 LEU HD21 H -4.837 -4.131 -1.680 1.00 . A A . 7 LEU HD21 1 1 20 5586 1 1 7 LEU HD22 H -5.232 -2.470 -2.120 1.00 . A A . 7 LEU HD22 1 1 20 5587 1 1 7 LEU HD23 H -5.506 -3.033 -0.471 1.00 . A A . 7 LEU HD23 1 1 20 5588 1 1 7 LEU HG H -3.262 -1.670 -1.322 1.00 . A A . 7 LEU HG 1 1 20 5589 1 1 7 LEU N N -2.749 -0.594 1.601 1.00 . A A . 7 LEU N 1 1 20 5590 1 1 7 LEU O O -0.259 -2.117 -0.468 1.00 . A A . 7 LEU O 1 1 20 5591 1 1 8 MET C C 0.649 0.834 -1.415 1.00 . A A . 8 MET C 1 1 20 5592 1 1 8 MET CA C -0.617 0.141 -1.916 1.00 . A A . 8 MET CA 1 1 20 5593 1 1 8 MET CB C -1.493 1.120 -2.699 1.00 . A A . 8 MET CB 1 1 20 5594 1 1 8 MET CE C -3.307 2.397 -5.104 1.00 . A A . 8 MET CE 1 1 20 5595 1 1 8 MET CG C -1.118 1.075 -4.181 1.00 . A A . 8 MET CG 1 1 20 5596 1 1 8 MET H H -2.218 0.250 -0.492 1.00 . A A . 8 MET H 1 1 20 5597 1 1 8 MET HA H -0.365 -0.701 -2.533 1.00 . A A . 8 MET HA 1 1 20 5598 1 1 8 MET HB2 H -2.532 0.846 -2.581 1.00 . A A . 8 MET HB2 1 1 20 5599 1 1 8 MET HB3 H -1.340 2.119 -2.322 1.00 . A A . 8 MET HB3 1 1 20 5600 1 1 8 MET HE1 H -3.817 3.349 -5.052 1.00 . A A . 8 MET HE1 1 1 20 5601 1 1 8 MET HE2 H -3.644 1.758 -4.298 1.00 . A A . 8 MET HE2 1 1 20 5602 1 1 8 MET HE3 H -3.525 1.925 -6.048 1.00 . A A . 8 MET HE3 1 1 20 5603 1 1 8 MET HG2 H -0.059 0.887 -4.279 1.00 . A A . 8 MET HG2 1 1 20 5604 1 1 8 MET HG3 H -1.669 0.285 -4.669 1.00 . A A . 8 MET HG3 1 1 20 5605 1 1 8 MET N N -1.459 -0.297 -0.769 1.00 . A A . 8 MET N 1 1 20 5606 1 1 8 MET O O 1.751 0.480 -1.788 1.00 . A A . 8 MET O 1 1 20 5607 1 1 8 MET SD S -1.522 2.662 -4.954 1.00 . A A . 8 MET SD 1 1 20 5608 1 1 9 LYS C C 2.700 1.546 0.549 1.00 . A A . 9 LYS C 1 1 20 5609 1 1 9 LYS CA C 1.699 2.541 -0.045 1.00 . A A . 9 LYS CA 1 1 20 5610 1 1 9 LYS CB C 1.155 3.473 1.040 1.00 . A A . 9 LYS CB 1 1 20 5611 1 1 9 LYS CD C 0.569 4.996 -0.891 1.00 . A A . 9 LYS CD 1 1 20 5612 1 1 9 LYS CE C 1.908 5.720 -0.714 1.00 . A A . 9 LYS CE 1 1 20 5613 1 1 9 LYS CG C 0.099 4.428 0.456 1.00 . A A . 9 LYS CG 1 1 20 5614 1 1 9 LYS H H -0.390 2.094 -0.282 1.00 . A A . 9 LYS H 1 1 20 5615 1 1 9 LYS HA H 2.166 3.119 -0.827 1.00 . A A . 9 LYS HA 1 1 20 5616 1 1 9 LYS HB2 H 0.705 2.881 1.825 1.00 . A A . 9 LYS HB2 1 1 20 5617 1 1 9 LYS HB3 H 1.964 4.048 1.450 1.00 . A A . 9 LYS HB3 1 1 20 5618 1 1 9 LYS HD2 H 0.686 4.189 -1.599 1.00 . A A . 9 LYS HD2 1 1 20 5619 1 1 9 LYS HD3 H -0.167 5.693 -1.262 1.00 . A A . 9 LYS HD3 1 1 20 5620 1 1 9 LYS HE2 H 1.755 6.683 -0.246 1.00 . A A . 9 LYS HE2 1 1 20 5621 1 1 9 LYS HE3 H 2.589 5.119 -0.131 1.00 . A A . 9 LYS HE3 1 1 20 5622 1 1 9 LYS HG2 H -0.826 3.891 0.313 1.00 . A A . 9 LYS HG2 1 1 20 5623 1 1 9 LYS HG3 H -0.065 5.241 1.146 1.00 . A A . 9 LYS HG3 1 1 20 5624 1 1 9 LYS HZ1 H 2.713 4.967 -2.480 1.00 . A A . 9 LYS HZ1 1 1 20 5625 1 1 9 LYS HZ2 H 3.261 6.521 -2.079 1.00 . A A . 9 LYS HZ2 1 1 20 5626 1 1 9 LYS HZ3 H 1.694 6.308 -2.700 1.00 . A A . 9 LYS HZ3 1 1 20 5627 1 1 9 LYS N N 0.504 1.822 -0.571 1.00 . A A . 9 LYS N 1 1 20 5628 1 1 9 LYS NZ N 2.434 5.892 -2.098 1.00 . A A . 9 LYS NZ 1 1 20 5629 1 1 9 LYS O O 3.881 1.820 0.636 1.00 . A A . 9 LYS O 1 1 20 5630 1 1 10 ALA C C 4.095 -1.163 0.451 1.00 . A A . 10 ALA C 1 1 20 5631 1 1 10 ALA CA C 3.168 -0.614 1.538 1.00 . A A . 10 ALA CA 1 1 20 5632 1 1 10 ALA CB C 2.265 -1.722 2.081 1.00 . A A . 10 ALA CB 1 1 20 5633 1 1 10 ALA H H 1.289 0.192 0.879 1.00 . A A . 10 ALA H 1 1 20 5634 1 1 10 ALA HA H 3.739 -0.177 2.338 1.00 . A A . 10 ALA HA 1 1 20 5635 1 1 10 ALA HB1 H 1.426 -1.281 2.600 1.00 . A A . 10 ALA HB1 1 1 20 5636 1 1 10 ALA HB2 H 2.827 -2.341 2.765 1.00 . A A . 10 ALA HB2 1 1 20 5637 1 1 10 ALA HB3 H 1.904 -2.326 1.262 1.00 . A A . 10 ALA HB3 1 1 20 5638 1 1 10 ALA N N 2.241 0.394 0.956 1.00 . A A . 10 ALA N 1 1 20 5639 1 1 10 ALA O O 5.273 -1.362 0.668 1.00 . A A . 10 ALA O 1 1 20 5640 1 1 11 PHE C C 5.392 -0.876 -2.319 1.00 . A A . 11 PHE C 1 1 20 5641 1 1 11 PHE CA C 4.423 -1.949 -1.816 1.00 . A A . 11 PHE CA 1 1 20 5642 1 1 11 PHE CB C 3.440 -2.337 -2.924 1.00 . A A . 11 PHE CB 1 1 20 5643 1 1 11 PHE CD1 C 2.593 -4.019 -1.215 1.00 . A A . 11 PHE CD1 1 1 20 5644 1 1 11 PHE CD2 C 1.198 -3.471 -3.123 1.00 . A A . 11 PHE CD2 1 1 20 5645 1 1 11 PHE CE1 C 1.611 -4.903 -0.753 1.00 . A A . 11 PHE CE1 1 1 20 5646 1 1 11 PHE CE2 C 0.218 -4.357 -2.660 1.00 . A A . 11 PHE CE2 1 1 20 5647 1 1 11 PHE CG C 2.387 -3.299 -2.404 1.00 . A A . 11 PHE CG 1 1 20 5648 1 1 11 PHE CZ C 0.423 -5.072 -1.475 1.00 . A A . 11 PHE CZ 1 1 20 5649 1 1 11 PHE H H 2.621 -1.245 -0.879 1.00 . A A . 11 PHE H 1 1 20 5650 1 1 11 PHE HA H 4.964 -2.816 -1.481 1.00 . A A . 11 PHE HA 1 1 20 5651 1 1 11 PHE HB2 H 2.952 -1.446 -3.289 1.00 . A A . 11 PHE HB2 1 1 20 5652 1 1 11 PHE HB3 H 3.981 -2.804 -3.730 1.00 . A A . 11 PHE HB3 1 1 20 5653 1 1 11 PHE HD1 H 3.507 -3.891 -0.655 1.00 . A A . 11 PHE HD1 1 1 20 5654 1 1 11 PHE HD2 H 1.037 -2.919 -4.037 1.00 . A A . 11 PHE HD2 1 1 20 5655 1 1 11 PHE HE1 H 1.768 -5.453 0.163 1.00 . A A . 11 PHE HE1 1 1 20 5656 1 1 11 PHE HE2 H -0.698 -4.486 -3.216 1.00 . A A . 11 PHE HE2 1 1 20 5657 1 1 11 PHE HZ H -0.333 -5.754 -1.118 1.00 . A A . 11 PHE HZ 1 1 20 5658 1 1 11 PHE N N 3.573 -1.410 -0.719 1.00 . A A . 11 PHE N 1 1 20 5659 1 1 11 PHE O O 6.344 -1.167 -3.017 1.00 . A A . 11 PHE O 1 1 20 5660 1 1 12 GLU C C 6.891 2.005 -1.294 1.00 . A A . 12 GLU C 1 1 20 5661 1 1 12 GLU CA C 6.059 1.450 -2.454 1.00 . A A . 12 GLU CA 1 1 20 5662 1 1 12 GLU CB C 5.120 2.527 -2.997 1.00 . A A . 12 GLU CB 1 1 20 5663 1 1 12 GLU CD C 4.048 1.846 -5.151 1.00 . A A . 12 GLU CD 1 1 20 5664 1 1 12 GLU CG C 5.229 2.588 -4.523 1.00 . A A . 12 GLU CG 1 1 20 5665 1 1 12 GLU H H 4.375 0.579 -1.426 1.00 . A A . 12 GLU H 1 1 20 5666 1 1 12 GLU HA H 6.702 1.089 -3.241 1.00 . A A . 12 GLU HA 1 1 20 5667 1 1 12 GLU HB2 H 4.103 2.294 -2.717 1.00 . A A . 12 GLU HB2 1 1 20 5668 1 1 12 GLU HB3 H 5.394 3.485 -2.582 1.00 . A A . 12 GLU HB3 1 1 20 5669 1 1 12 GLU HG2 H 5.218 3.619 -4.842 1.00 . A A . 12 GLU HG2 1 1 20 5670 1 1 12 GLU HG3 H 6.151 2.123 -4.838 1.00 . A A . 12 GLU HG3 1 1 20 5671 1 1 12 GLU N N 5.154 0.362 -1.982 1.00 . A A . 12 GLU N 1 1 20 5672 1 1 12 GLU O O 8.073 2.256 -1.432 1.00 . A A . 12 GLU O 1 1 20 5673 1 1 12 GLU OE1 O 2.962 1.926 -4.600 1.00 . A A . 12 GLU OE1 1 1 20 5674 1 1 12 GLU OE2 O 4.248 1.210 -6.173 1.00 . A A . 12 GLU OE2 1 1 20 5675 1 1 13 SER C C 7.615 1.675 1.874 1.00 . A A . 13 SER C 1 1 20 5676 1 1 13 SER CA C 7.026 2.783 0.998 1.00 . A A . 13 SER CA 1 1 20 5677 1 1 13 SER CB C 5.990 3.590 1.778 1.00 . A A . 13 SER CB 1 1 20 5678 1 1 13 SER H H 5.327 2.028 -0.081 1.00 . A A . 13 SER H 1 1 20 5679 1 1 13 SER HA H 7.802 3.431 0.649 1.00 . A A . 13 SER HA 1 1 20 5680 1 1 13 SER HB2 H 5.167 3.845 1.132 1.00 . A A . 13 SER HB2 1 1 20 5681 1 1 13 SER HB3 H 5.625 2.997 2.606 1.00 . A A . 13 SER HB3 1 1 20 5682 1 1 13 SER HG H 6.094 5.078 3.027 1.00 . A A . 13 SER HG 1 1 20 5683 1 1 13 SER N N 6.279 2.220 -0.163 1.00 . A A . 13 SER N 1 1 20 5684 1 1 13 SER O O 8.569 1.890 2.597 1.00 . A A . 13 SER O 1 1 20 5685 1 1 13 SER OG O 6.592 4.784 2.262 1.00 . A A . 13 SER OG 1 1 20 5686 1 1 14 LEU C C 8.579 -1.467 1.885 1.00 . A A . 14 LEU C 1 1 20 5687 1 1 14 LEU CA C 7.586 -0.605 2.673 1.00 . A A . 14 LEU CA 1 1 20 5688 1 1 14 LEU CB C 6.364 -1.430 3.082 1.00 . A A . 14 LEU CB 1 1 20 5689 1 1 14 LEU CD1 C 5.929 -0.799 5.465 1.00 . A A . 14 LEU CD1 1 1 20 5690 1 1 14 LEU CD2 C 5.756 -3.189 4.749 1.00 . A A . 14 LEU CD2 1 1 20 5691 1 1 14 LEU CG C 6.509 -1.872 4.540 1.00 . A A . 14 LEU CG 1 1 20 5692 1 1 14 LEU H H 6.286 0.350 1.252 1.00 . A A . 14 LEU H 1 1 20 5693 1 1 14 LEU HA H 8.057 -0.200 3.547 1.00 . A A . 14 LEU HA 1 1 20 5694 1 1 14 LEU HB2 H 5.473 -0.828 2.975 1.00 . A A . 14 LEU HB2 1 1 20 5695 1 1 14 LEU HB3 H 6.289 -2.301 2.450 1.00 . A A . 14 LEU HB3 1 1 20 5696 1 1 14 LEU HD11 H 5.036 -1.175 5.942 1.00 . A A . 14 LEU HD11 1 1 20 5697 1 1 14 LEU HD12 H 5.684 0.082 4.888 1.00 . A A . 14 LEU HD12 1 1 20 5698 1 1 14 LEU HD13 H 6.658 -0.541 6.221 1.00 . A A . 14 LEU HD13 1 1 20 5699 1 1 14 LEU HD21 H 5.926 -3.545 5.755 1.00 . A A . 14 LEU HD21 1 1 20 5700 1 1 14 LEU HD22 H 6.111 -3.925 4.042 1.00 . A A . 14 LEU HD22 1 1 20 5701 1 1 14 LEU HD23 H 4.699 -3.027 4.600 1.00 . A A . 14 LEU HD23 1 1 20 5702 1 1 14 LEU HG H 7.556 -2.014 4.769 1.00 . A A . 14 LEU HG 1 1 20 5703 1 1 14 LEU N N 7.054 0.501 1.829 1.00 . A A . 14 LEU N 1 1 20 5704 1 1 14 LEU O O 8.636 -2.670 2.053 1.00 . A A . 14 LEU O 1 1 20 5705 1 1 15 LYS C C 11.501 -2.112 1.161 1.00 . A A . 15 LYS C 1 1 20 5706 1 1 15 LYS CA C 10.361 -1.657 0.249 1.00 . A A . 15 LYS CA 1 1 20 5707 1 1 15 LYS CB C 10.883 -0.698 -0.823 1.00 . A A . 15 LYS CB 1 1 20 5708 1 1 15 LYS CD C 11.453 -0.537 -3.251 1.00 . A A . 15 LYS CD 1 1 20 5709 1 1 15 LYS CE C 11.224 -1.297 -4.559 1.00 . A A . 15 LYS CE 1 1 20 5710 1 1 15 LYS CG C 11.294 -1.492 -2.065 1.00 . A A . 15 LYS CG 1 1 20 5711 1 1 15 LYS H H 9.311 0.107 0.917 1.00 . A A . 15 LYS H 1 1 20 5712 1 1 15 LYS HA H 9.890 -2.502 -0.212 1.00 . A A . 15 LYS HA 1 1 20 5713 1 1 15 LYS HB2 H 10.106 0.006 -1.085 1.00 . A A . 15 LYS HB2 1 1 20 5714 1 1 15 LYS HB3 H 11.740 -0.163 -0.441 1.00 . A A . 15 LYS HB3 1 1 20 5715 1 1 15 LYS HD2 H 10.730 0.263 -3.166 1.00 . A A . 15 LYS HD2 1 1 20 5716 1 1 15 LYS HD3 H 12.450 -0.123 -3.247 1.00 . A A . 15 LYS HD3 1 1 20 5717 1 1 15 LYS HE2 H 10.730 -2.240 -4.365 1.00 . A A . 15 LYS HE2 1 1 20 5718 1 1 15 LYS HE3 H 10.641 -0.700 -5.244 1.00 . A A . 15 LYS HE3 1 1 20 5719 1 1 15 LYS HG2 H 12.234 -1.994 -1.878 1.00 . A A . 15 LYS HG2 1 1 20 5720 1 1 15 LYS HG3 H 10.534 -2.224 -2.294 1.00 . A A . 15 LYS HG3 1 1 20 5721 1 1 15 LYS HZ1 H 13.064 -2.269 -4.568 1.00 . A A . 15 LYS HZ1 1 1 20 5722 1 1 15 LYS HZ2 H 13.138 -0.647 -5.059 1.00 . A A . 15 LYS HZ2 1 1 20 5723 1 1 15 LYS HZ3 H 12.509 -1.824 -6.110 1.00 . A A . 15 LYS HZ3 1 1 20 5724 1 1 15 LYS N N 9.367 -0.865 1.034 1.00 . A A . 15 LYS N 1 1 20 5725 1 1 15 LYS NZ N 12.587 -1.527 -5.116 1.00 . A A . 15 LYS NZ 1 1 20 5726 1 1 15 LYS O O 11.973 -3.229 1.082 1.00 . A A . 15 LYS O 1 1 20 5727 1 1 16 SER C C 13.471 -0.303 3.700 1.00 . A A . 16 SER C 1 1 20 5728 1 1 16 SER CA C 13.048 -1.575 2.972 1.00 . A A . 16 SER CA 1 1 20 5729 1 1 16 SER CB C 14.196 -2.100 2.105 1.00 . A A . 16 SER CB 1 1 20 5730 1 1 16 SER H H 11.530 -0.353 2.064 1.00 . A A . 16 SER H 1 1 20 5731 1 1 16 SER HA H 12.734 -2.325 3.674 1.00 . A A . 16 SER HA 1 1 20 5732 1 1 16 SER HB2 H 14.007 -1.861 1.072 1.00 . A A . 16 SER HB2 1 1 20 5733 1 1 16 SER HB3 H 15.123 -1.635 2.416 1.00 . A A . 16 SER HB3 1 1 20 5734 1 1 16 SER HG H 14.084 -3.910 1.400 1.00 . A A . 16 SER HG 1 1 20 5735 1 1 16 SER N N 11.939 -1.242 2.028 1.00 . A A . 16 SER N 1 1 20 5736 1 1 16 SER O O 13.882 -0.325 4.842 1.00 . A A . 16 SER O 1 1 20 5737 1 1 16 SER OG O 14.286 -3.511 2.250 1.00 . A A . 16 SER OG 1 1 20 5738 1 1 17 PHE C C 12.638 2.576 4.605 1.00 . A A . 17 PHE C 1 1 20 5739 1 1 17 PHE CA C 13.738 2.109 3.651 1.00 . A A . 17 PHE CA 1 1 20 5740 1 1 17 PHE CB C 13.906 3.113 2.496 1.00 . A A . 17 PHE CB 1 1 20 5741 1 1 17 PHE CD1 C 11.522 2.986 1.661 1.00 . A A . 17 PHE CD1 1 1 20 5742 1 1 17 PHE CD2 C 13.326 2.452 0.134 1.00 . A A . 17 PHE CD2 1 1 20 5743 1 1 17 PHE CE1 C 10.591 2.731 0.648 1.00 . A A . 17 PHE CE1 1 1 20 5744 1 1 17 PHE CE2 C 12.395 2.196 -0.879 1.00 . A A . 17 PHE CE2 1 1 20 5745 1 1 17 PHE CG C 12.891 2.847 1.404 1.00 . A A . 17 PHE CG 1 1 20 5746 1 1 17 PHE CZ C 11.028 2.336 -0.622 1.00 . A A . 17 PHE CZ 1 1 20 5747 1 1 17 PHE H H 13.022 0.780 2.116 1.00 . A A . 17 PHE H 1 1 20 5748 1 1 17 PHE HA H 14.669 2.004 4.179 1.00 . A A . 17 PHE HA 1 1 20 5749 1 1 17 PHE HB2 H 13.767 4.115 2.874 1.00 . A A . 17 PHE HB2 1 1 20 5750 1 1 17 PHE HB3 H 14.901 3.021 2.087 1.00 . A A . 17 PHE HB3 1 1 20 5751 1 1 17 PHE HD1 H 11.182 3.292 2.641 1.00 . A A . 17 PHE HD1 1 1 20 5752 1 1 17 PHE HD2 H 14.381 2.345 -0.066 1.00 . A A . 17 PHE HD2 1 1 20 5753 1 1 17 PHE HE1 H 9.537 2.837 0.845 1.00 . A A . 17 PHE HE1 1 1 20 5754 1 1 17 PHE HE2 H 12.732 1.890 -1.858 1.00 . A A . 17 PHE HE2 1 1 20 5755 1 1 17 PHE HZ H 10.309 2.139 -1.403 1.00 . A A . 17 PHE HZ 1 1 20 5756 1 1 17 PHE N N 13.360 0.807 3.030 1.00 . A A . 17 PHE N 1 1 20 5757 1 1 17 PHE O O 11.508 2.134 4.520 1.00 . A A . 17 PHE O 1 1 20 5758 1 1 18 NH2 HN1 H 12.224 3.771 6.136 1.00 . A A . 18 NH2 HN1 1 1 20 5759 1 1 18 NH2 HN2 H 13.831 3.818 5.591 1.00 . A A . 18 NH2 HN2 1 1 20 5760 1 1 18 NH2 N N 12.921 3.461 5.520 1.00 . A A . 18 NH2 N 1 1 stop_ save_
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