NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
539149 | 2ld2 | 17644 | cing | 4-filtered-FRED | STAR | entry | full | 99 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2ld2 # This FRED archive file contains, for PDB entry <2ld2>: # # - 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_2ld2 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2ld2 _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 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 HB . 3 . HB 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 HA . 4 . HA 1 1 4 1 1 1 1 3 THR HB . 3 . HB 1 1 4 1 2 1 1 4 LEU H . 4 . HN 1 1 5 1 1 1 1 3 THR MG . 3 . HG2+ 1 1 5 1 2 1 1 4 LEU H . 4 . HN 1 1 6 1 1 1 1 4 LEU H . 4 . HN 1 1 6 1 2 1 1 4 LEU QB . 4 . HB+ 1 1 7 1 1 1 1 4 LEU H . 4 . HN 1 1 7 1 2 1 1 5 GLU H . 5 . HN 1 1 8 1 1 1 1 4 LEU QB . 4 . HB+ 1 1 8 1 2 1 1 6 LYS H . 6 . HN 1 1 9 1 1 1 1 5 GLU H . 5 . HN 1 1 9 1 2 1 1 5 GLU QB . 5 . HB+ 1 1 10 1 1 1 1 5 GLU H . 5 . HN 1 1 10 1 2 1 1 5 GLU QG . 5 . HG+ 1 1 11 1 1 1 1 5 GLU H . 5 . HN 1 1 11 1 2 1 1 6 LYS H . 6 . HN 1 1 12 1 1 1 1 5 GLU QG . 5 . HG+ 1 1 12 1 2 1 1 6 LYS H . 6 . HN 1 1 13 1 1 1 1 6 LYS H . 6 . HN 1 1 13 1 2 1 1 6 LYS HB2 . 6 . HB2 1 1 14 1 1 1 1 6 LYS H . 6 . HN 1 1 14 1 2 1 1 6 LYS HB3 . 6 . HB1 1 1 15 1 1 1 1 6 LYS H . 6 . HN 1 1 15 1 2 1 1 7 LEU H . 7 . HN 1 1 16 1 1 1 1 6 LYS HA . 6 . HA 1 1 16 1 2 1 1 8 MET H . 8 . HN 1 1 17 1 1 1 1 6 LYS HA . 6 . HA 1 1 17 1 2 1 1 9 LYS H . 9 . HN 1 1 18 1 1 1 1 6 LYS HB2 . 6 . HB2 1 1 18 1 2 1 1 7 LEU H . 7 . HN 1 1 19 1 1 1 1 6 LYS HB3 . 6 . HB1 1 1 19 1 2 1 1 7 LEU H . 7 . HN 1 1 20 1 1 1 1 7 LEU H . 7 . HN 1 1 20 1 2 1 1 7 LEU HA . 7 . HA 1 1 21 1 1 1 1 7 LEU H . 7 . HN 1 1 21 1 2 1 1 7 LEU QB . 7 . HB+ 1 1 22 1 1 1 1 7 LEU H . 7 . HN 1 1 22 1 2 1 1 7 LEU HG . 7 . HG 1 1 23 1 1 1 1 7 LEU H . 7 . HN 1 1 23 1 2 1 1 8 MET H . 8 . HN 1 1 24 1 1 1 1 7 LEU HA . 7 . HA 1 1 24 1 2 1 1 10 ALA MB . 10 . HB+ 1 1 25 1 1 1 1 7 LEU MD1 . 7 . HD1+ 1 1 25 1 2 1 1 11 PHE QD . 11 . HD+ 1 1 26 1 1 1 1 7 LEU HG . 7 . HG 1 1 26 1 2 1 1 8 MET H . 8 . HN 1 1 27 1 1 1 1 8 MET H . 8 . HN 1 1 27 1 2 1 1 8 MET QB . 8 . HB+ 1 1 28 1 1 1 1 8 MET H . 8 . HN 1 1 28 1 2 1 1 8 MET HG2 . 8 . HG2 1 1 29 1 1 1 1 8 MET H . 8 . HN 1 1 29 1 2 1 1 8 MET HG3 . 8 . HG1 1 1 30 1 1 1 1 8 MET H . 8 . HN 1 1 30 1 2 1 1 9 LYS H . 9 . HN 1 1 31 1 1 1 1 8 MET H . 8 . HN 1 1 31 1 2 1 1 10 ALA MB . 10 . HB+ 1 1 32 1 1 1 1 8 MET HA . 8 . HA 1 1 32 1 2 1 1 11 PHE HB2 . 11 . HB2 1 1 33 1 1 1 1 8 MET HA . 8 . HA 1 1 33 1 2 1 1 11 PHE HB3 . 11 . HB1 1 1 34 1 1 1 1 9 LYS H . 9 . HN 1 1 34 1 2 1 1 9 LYS HA . 9 . HA 1 1 35 1 1 1 1 9 LYS H . 9 . HN 1 1 35 1 2 1 1 9 LYS HB2 . 9 . HB2 1 1 36 1 1 1 1 9 LYS H . 9 . HN 1 1 36 1 2 1 1 9 LYS HB3 . 9 . HB1 1 1 37 1 1 1 1 9 LYS H . 9 . HN 1 1 37 1 2 1 1 10 ALA MB . 10 . HB+ 1 1 38 1 1 1 1 9 LYS HA . 9 . HA 1 1 38 1 2 1 1 10 ALA H . 10 . HN 1 1 39 1 1 1 1 9 LYS HA . 9 . HA 1 1 39 1 2 1 1 11 PHE H . 11 . HN 1 1 40 1 1 1 1 9 LYS HA . 9 . HA 1 1 40 1 2 1 1 12 GLU H . 12 . HN 1 1 41 1 1 1 1 9 LYS HA . 9 . HA 1 1 41 1 2 1 1 12 GLU HB2 . 12 . HB2 1 1 42 1 1 1 1 9 LYS HA . 9 . HA 1 1 42 1 2 1 1 13 SER H . 13 . HN 1 1 43 1 1 1 1 10 ALA H . 10 . HN 1 1 43 1 2 1 1 10 ALA MB . 10 . HB+ 1 1 44 1 1 1 1 10 ALA H . 10 . HN 1 1 44 1 2 1 1 11 PHE H . 11 . HN 1 1 45 1 1 1 1 10 ALA HA . 10 . HA 1 1 45 1 2 1 1 13 SER QB . 13 . HB+ 1 1 46 1 1 1 1 10 ALA MB . 10 . HB+ 1 1 46 1 2 1 1 11 PHE H . 11 . HN 1 1 47 1 1 1 1 10 ALA MB . 10 . HB+ 1 1 47 1 2 1 1 11 PHE QD . 11 . HD+ 1 1 48 1 1 1 1 11 PHE H . 11 . HN 1 1 48 1 2 1 1 11 PHE HB2 . 11 . HB2 1 1 49 1 1 1 1 11 PHE H . 11 . HN 1 1 49 1 2 1 1 11 PHE HB3 . 11 . HB1 1 1 50 1 1 1 1 11 PHE H . 11 . HN 1 1 50 1 2 1 1 12 GLU H . 12 . HN 1 1 51 1 1 1 1 11 PHE HA . 11 . HA 1 1 51 1 2 1 1 12 GLU H . 12 . HN 1 1 52 1 1 1 1 11 PHE HA . 11 . HA 1 1 52 1 2 1 1 14 LEU QB . 14 . HB+ 1 1 53 1 1 1 1 11 PHE HB2 . 11 . HB2 1 1 53 1 2 1 1 12 GLU H . 12 . HN 1 1 54 1 1 1 1 11 PHE HB3 . 11 . HB1 1 1 54 1 2 1 1 12 GLU H . 12 . HN 1 1 55 1 1 1 1 11 PHE QD . 11 . HD+ 1 1 55 1 2 1 1 12 GLU HA . 12 . HA 1 1 56 1 1 1 1 11 PHE QD . 11 . HD+ 1 1 56 1 2 1 1 14 LEU QB . 14 . HB+ 1 1 57 1 1 1 1 11 PHE QD . 11 . HD+ 1 1 57 1 2 1 1 14 LEU MD1 . 14 . HD1+ 1 1 58 1 1 1 1 11 PHE QD . 11 . HD+ 1 1 58 1 2 1 1 15 LYS HB2 . 15 . HB2 1 1 59 1 1 1 1 12 GLU H . 12 . HN 1 1 59 1 2 1 1 12 GLU HB2 . 12 . HB2 1 1 60 1 1 1 1 12 GLU H . 12 . HN 1 1 60 1 2 1 1 12 GLU HB3 . 12 . HB1 1 1 61 1 1 1 1 12 GLU H . 12 . HN 1 1 61 1 2 1 1 12 GLU HG2 . 12 . HG2 1 1 62 1 1 1 1 12 GLU H . 12 . HN 1 1 62 1 2 1 1 12 GLU HG3 . 12 . HG1 1 1 63 1 1 1 1 12 GLU H . 12 . HN 1 1 63 1 2 1 1 13 SER H . 13 . HN 1 1 64 1 1 1 1 12 GLU HA . 12 . HA 1 1 64 1 2 1 1 13 SER H . 13 . HN 1 1 65 1 1 1 1 12 GLU HA . 12 . HA 1 1 65 1 2 1 1 15 LYS H . 15 . HN 1 1 66 1 1 1 1 12 GLU HA . 12 . HA 1 1 66 1 2 1 1 15 LYS HB2 . 15 . HB2 1 1 67 1 1 1 1 12 GLU HB2 . 12 . HB2 1 1 67 1 2 1 1 13 SER H . 13 . HN 1 1 68 1 1 1 1 12 GLU HB3 . 12 . HB1 1 1 68 1 2 1 1 13 SER H . 13 . HN 1 1 69 1 1 1 1 13 SER H . 13 . HN 1 1 69 1 2 1 1 13 SER HA . 13 . HA 1 1 70 1 1 1 1 13 SER H . 13 . HN 1 1 70 1 2 1 1 13 SER QB . 13 . HB+ 1 1 71 1 1 1 1 13 SER HA . 13 . HA 1 1 71 1 2 1 1 14 LEU H . 14 . HN 1 1 72 1 1 1 1 13 SER HA . 13 . HA 1 1 72 1 2 1 1 15 LYS H . 15 . HN 1 1 73 1 1 1 1 13 SER HA . 13 . HA 1 1 73 1 2 1 1 16 SER QB . 16 . HB+ 1 1 74 1 1 1 1 13 SER QB . 13 . HB+ 1 1 74 1 2 1 1 14 LEU H . 14 . HN 1 1 75 1 1 1 1 14 LEU H . 14 . HN 1 1 75 1 2 1 1 14 LEU QB . 14 . HB+ 1 1 76 1 1 1 1 14 LEU H . 14 . HN 1 1 76 1 2 1 1 14 LEU MD1 . 14 . HD1+ 1 1 77 1 1 1 1 14 LEU H . 14 . HN 1 1 77 1 2 1 1 15 LYS H . 15 . HN 1 1 78 1 1 1 1 14 LEU H . 14 . HN 1 1 78 1 2 1 1 15 LYS HB3 . 15 . HB1 1 1 79 1 1 1 1 14 LEU HA . 14 . HA 1 1 79 1 2 1 1 15 LYS H . 15 . HN 1 1 80 1 1 1 1 14 LEU HA . 14 . HA 1 1 80 1 2 1 1 17 PHE QB . 17 . HB+ 1 1 81 1 1 1 1 14 LEU HA . 14 . HA 1 1 81 1 2 1 1 17 PHE QD . 17 . HD+ 1 1 82 1 1 1 1 14 LEU HA . 14 . HA 1 1 82 1 2 1 1 17 PHE QE . 17 . HE+ 1 1 83 1 1 1 1 14 LEU QB . 14 . HB+ 1 1 83 1 2 1 1 15 LYS H . 15 . HN 1 1 84 1 1 1 1 14 LEU MD1 . 14 . HD1+ 1 1 84 1 2 1 1 17 PHE QE . 17 . HE+ 1 1 85 1 1 1 1 15 LYS H . 15 . HN 1 1 85 1 2 1 1 15 LYS HB2 . 15 . HB2 1 1 86 1 1 1 1 15 LYS H . 15 . HN 1 1 86 1 2 1 1 15 LYS HB3 . 15 . HB1 1 1 87 1 1 1 1 15 LYS H . 15 . HN 1 1 87 1 2 1 1 15 LYS QG . 15 . HG+ 1 1 88 1 1 1 1 15 LYS H . 15 . HN 1 1 88 1 2 1 1 16 SER H . 16 . HN 1 1 89 1 1 1 1 15 LYS HB2 . 15 . HB2 1 1 89 1 2 1 1 16 SER H . 16 . HN 1 1 90 1 1 1 1 16 SER H . 16 . HN 1 1 90 1 2 1 1 16 SER HA . 16 . HA 1 1 91 1 1 1 1 16 SER H . 16 . HN 1 1 91 1 2 1 1 16 SER QB . 16 . HB+ 1 1 92 1 1 1 1 16 SER H . 16 . HN 1 1 92 1 2 1 1 17 PHE H . 17 . HN 1 1 93 1 1 1 1 16 SER HA . 16 . HA 1 1 93 1 2 1 1 17 PHE H . 17 . HN 1 1 94 1 1 1 1 16 SER QB . 16 . HB+ 1 1 94 1 2 1 1 17 PHE H . 17 . HN 1 1 95 1 1 1 1 16 SER QB . 16 . HB+ 1 1 95 1 2 1 1 17 PHE QE . 17 . HE+ 1 1 96 1 1 1 1 17 PHE H . 17 . HN 1 1 96 1 2 1 1 17 PHE HB2 . 17 . HB2 1 1 97 1 1 1 1 17 PHE H . 17 . HN 1 1 97 1 2 1 1 17 PHE HB3 . 17 . HB1 1 1 98 1 1 1 1 17 PHE H . 17 . HN 1 1 98 1 2 1 1 17 PHE QD . 17 . HD+ 1 1 99 1 1 1 1 17 PHE H . 17 . HN 1 1 99 1 2 1 1 17 PHE QE . 17 . HE+ 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 . . . . . 3.4 0.0 3.4 1 1 2 1 . . . . . 3.4 0.0 3.4 1 1 3 1 . . . . . 5.0 0.0 5.0 1 1 4 1 . . . . . 3.4 0.0 3.4 1 1 5 1 . . . . . 5.0 0.0 5.0 1 1 6 1 . . . . . 2.8 0.0 2.8 1 1 7 1 . . . . . 3.4 0.0 3.4 1 1 8 1 . . . . . 5.0 0.0 5.0 1 1 9 1 . . . . . 3.4 0.0 3.4 1 1 10 1 . . . . . 3.4 0.0 3.4 1 1 11 1 . . . . . 3.4 0.0 3.4 1 1 12 1 . . . . . 3.4 0.0 3.4 1 1 13 1 . . . . . 3.4 0.0 3.4 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 . . . . . 3.4 0.0 3.4 1 1 18 1 . . . . . 3.4 0.0 3.4 1 1 19 1 . . . . . 2.8 0.0 2.8 1 1 20 1 . . . . . 2.8 0.0 2.8 1 1 21 1 . . . . . 3.4 0.0 3.4 1 1 22 1 . . . . . 3.4 0.0 3.4 1 1 23 1 . . . . . 3.4 0.0 3.4 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 . . . . . 3.4 0.0 3.4 1 1 29 1 . . . . . 5.0 0.0 5.0 1 1 30 1 . . . . . 3.4 0.0 3.4 1 1 31 1 . . . . . 5.0 0.0 5.0 1 1 32 1 . . . . . 3.4 0.0 3.4 1 1 33 1 . . . . . 3.4 0.0 3.4 1 1 34 1 . . . . . 2.8 0.0 2.8 1 1 35 1 . . . . . 3.4 0.0 3.4 1 1 36 1 . . . . . 2.8 0.0 2.8 1 1 37 1 . . . . . 5.0 0.0 5.0 1 1 38 1 . . . . . 3.4 0.0 3.4 1 1 39 1 . . . . . 5.0 0.0 5.0 1 1 40 1 . . . . . 5.0 0.0 5.0 1 1 41 1 . . . . . 3.4 0.0 3.4 1 1 42 1 . . . . . 3.4 0.0 3.4 1 1 43 1 . . . . . 3.4 0.0 3.4 1 1 44 1 . . . . . 3.4 0.0 3.4 1 1 45 1 . . . . . 3.4 0.0 3.4 1 1 46 1 . . . . . 5.0 0.0 5.0 1 1 47 1 . . . . . 5.0 0.0 5.0 1 1 48 1 . . . . . 3.4 0.0 3.4 1 1 49 1 . . . . . 3.4 0.0 3.4 1 1 50 1 . . . . . 3.4 0.0 3.4 1 1 51 1 . . . . . 3.4 0.0 3.4 1 1 52 1 . . . . . 3.4 0.0 3.4 1 1 53 1 . . . . . 3.4 0.0 3.4 1 1 54 1 . . . . . 5.0 0.0 5.0 1 1 55 1 . . . . . 3.4 0.0 3.4 1 1 56 1 . . . . . 5.0 0.0 5.0 1 1 57 1 . . . . . 3.4 0.0 3.4 1 1 58 1 . . . . . 5.0 0.0 5.0 1 1 59 1 . . . . . 3.4 0.0 3.4 1 1 60 1 . . . . . 3.4 0.0 3.4 1 1 61 1 . . . . . 5.0 0.0 5.0 1 1 62 1 . . . . . 3.4 0.0 3.4 1 1 63 1 . . . . . 3.4 0.0 3.4 1 1 64 1 . . . . . 5.0 0.0 5.0 1 1 65 1 . . . . . 5.0 0.0 5.0 1 1 66 1 . . . . . 2.8 0.0 2.8 1 1 67 1 . . . . . 5.0 0.0 5.0 1 1 68 1 . . . . . 3.4 0.0 3.4 1 1 69 1 . . . . . 2.8 0.0 2.8 1 1 70 1 . . . . . 3.4 0.0 3.4 1 1 71 1 . . . . . 3.4 0.0 3.4 1 1 72 1 . . . . . 5.0 0.0 5.0 1 1 73 1 . . . . . 3.4 0.0 3.4 1 1 74 1 . . . . . 5.0 0.0 5.0 1 1 75 1 . . . . . 2.8 0.0 2.8 1 1 76 1 . . . . . 5.0 0.0 5.0 1 1 77 1 . . . . . 3.4 0.0 3.4 1 1 78 1 . . . . . 3.4 0.0 3.4 1 1 79 1 . . . . . 3.4 0.0 3.4 1 1 80 1 . . . . . 5.0 0.0 5.0 1 1 81 1 . . . . . 5.0 0.0 5.0 1 1 82 1 . . . . . 3.4 0.0 3.4 1 1 83 1 . . . . . 3.4 0.0 3.4 1 1 84 1 . . . . . 5.0 0.0 5.0 1 1 85 1 . . . . . 2.8 0.0 2.8 1 1 86 1 . . . . . 3.4 0.0 3.4 1 1 87 1 . . . . . 3.4 0.0 3.4 1 1 88 1 . . . . . 3.4 0.0 3.4 1 1 89 1 . . . . . 3.4 0.0 3.4 1 1 90 1 . . . . . 2.8 0.0 2.8 1 1 91 1 . . . . . 2.8 0.0 2.8 1 1 92 1 . . . . . 3.4 0.0 3.4 1 1 93 1 . . . . . 3.4 0.0 3.4 1 1 94 1 . . . . . 3.4 0.0 3.4 1 1 95 1 . . . . . 5.0 0.0 5.0 1 1 96 1 . . . . . 3.4 0.0 3.4 1 1 97 1 . . . . . 2.8 0.0 2.8 1 1 98 1 . . . . . 3.4 0.0 3.4 1 1 99 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 -11.630 -0.042 -1.258 1.00 . A A . 1 MET C 1 1 1 2 1 1 1 MET CA C -12.842 0.726 -1.791 1.00 . A A . 1 MET CA 1 1 1 3 1 1 1 MET CB C -13.016 0.469 -3.294 1.00 . A A . 1 MET CB 1 1 1 4 1 1 1 MET CE C -14.591 0.450 -5.922 1.00 . A A . 1 MET CE 1 1 1 5 1 1 1 MET CG C -14.007 -0.675 -3.511 1.00 . A A . 1 MET CG 1 1 1 6 1 1 1 MET H1 H -13.203 2.705 -2.338 1.00 . A A . 1 MET H1 1 1 1 7 1 1 1 MET H2 H -11.606 2.401 -1.857 1.00 . A A . 1 MET H2 1 1 1 8 1 1 1 MET H3 H -12.839 2.496 -0.697 1.00 . A A . 1 MET H3 1 1 1 9 1 1 1 MET HA H -13.738 0.441 -1.261 1.00 . A A . 1 MET HA 1 1 1 10 1 1 1 MET HB2 H -13.388 1.363 -3.769 1.00 . A A . 1 MET HB2 1 1 1 11 1 1 1 MET HB3 H -12.062 0.204 -3.725 1.00 . A A . 1 MET HB3 1 1 1 12 1 1 1 MET HE1 H -13.743 1.099 -6.081 1.00 . A A . 1 MET HE1 1 1 1 13 1 1 1 MET HE2 H -15.274 0.909 -5.219 1.00 . A A . 1 MET HE2 1 1 1 14 1 1 1 MET HE3 H -15.098 0.291 -6.860 1.00 . A A . 1 MET HE3 1 1 1 15 1 1 1 MET HG2 H -13.711 -1.525 -2.913 1.00 . A A . 1 MET HG2 1 1 1 16 1 1 1 MET HG3 H -14.998 -0.356 -3.214 1.00 . A A . 1 MET HG3 1 1 1 17 1 1 1 MET N N -12.606 2.192 -1.663 1.00 . A A . 1 MET N 1 1 1 18 1 1 1 MET O O -10.538 0.060 -1.791 1.00 . A A . 1 MET O 1 1 1 19 1 1 1 MET SD S -14.018 -1.135 -5.264 1.00 . A A . 1 MET SD 1 1 1 20 1 1 2 ALA C C -10.496 -2.891 -0.467 1.00 . A A . 2 ALA C 1 1 1 21 1 1 2 ALA CA C -10.653 -1.593 0.330 1.00 . A A . 2 ALA CA 1 1 1 22 1 1 2 ALA CB C -11.004 -1.880 1.795 1.00 . A A . 2 ALA CB 1 1 1 23 1 1 2 ALA H H -12.691 -0.893 0.193 1.00 . A A . 2 ALA H 1 1 1 24 1 1 2 ALA HA H -9.745 -1.009 0.275 1.00 . A A . 2 ALA HA 1 1 1 25 1 1 2 ALA HB1 H -10.097 -1.947 2.375 1.00 . A A . 2 ALA HB1 1 1 1 26 1 1 2 ALA HB2 H -11.541 -2.814 1.866 1.00 . A A . 2 ALA HB2 1 1 1 27 1 1 2 ALA HB3 H -11.619 -1.083 2.183 1.00 . A A . 2 ALA HB3 1 1 1 28 1 1 2 ALA N N -11.804 -0.817 -0.219 1.00 . A A . 2 ALA N 1 1 1 29 1 1 2 ALA O O -10.614 -3.983 0.064 1.00 . A A . 2 ALA O 1 1 1 30 1 1 3 THR C C -8.586 -4.351 -2.634 1.00 . A A . 3 THR C 1 1 1 31 1 1 3 THR CA C -10.069 -3.989 -2.584 1.00 . A A . 3 THR CA 1 1 1 32 1 1 3 THR CB C -10.595 -3.577 -3.968 1.00 . A A . 3 THR CB 1 1 1 33 1 1 3 THR CG2 C -12.087 -3.908 -4.065 1.00 . A A . 3 THR CG2 1 1 1 34 1 1 3 THR H H -10.147 -1.891 -2.144 1.00 . A A . 3 THR H 1 1 1 35 1 1 3 THR HA H -10.648 -4.811 -2.194 1.00 . A A . 3 THR HA 1 1 1 36 1 1 3 THR HB H -10.058 -4.115 -4.737 1.00 . A A . 3 THR HB 1 1 1 37 1 1 3 THR HG1 H -10.221 -2.018 -5.083 1.00 . A A . 3 THR HG1 1 1 1 38 1 1 3 THR HG21 H -12.469 -3.582 -5.025 1.00 . A A . 3 THR HG21 1 1 1 39 1 1 3 THR HG22 H -12.620 -3.403 -3.273 1.00 . A A . 3 THR HG22 1 1 1 40 1 1 3 THR HG23 H -12.225 -4.973 -3.970 1.00 . A A . 3 THR HG23 1 1 1 41 1 1 3 THR N N -10.236 -2.779 -1.738 1.00 . A A . 3 THR N 1 1 1 42 1 1 3 THR O O -8.179 -5.411 -2.191 1.00 . A A . 3 THR O 1 1 1 43 1 1 3 THR OG1 O -10.411 -2.172 -4.152 1.00 . A A . 3 THR OG1 1 1 1 44 1 1 4 LEU C C -5.610 -3.114 -1.977 1.00 . A A . 4 LEU C 1 1 1 45 1 1 4 LEU CA C -6.308 -3.749 -3.188 1.00 . A A . 4 LEU CA 1 1 1 46 1 1 4 LEU CB C -5.812 -3.122 -4.498 1.00 . A A . 4 LEU CB 1 1 1 47 1 1 4 LEU CD1 C -5.343 -3.524 -6.928 1.00 . A A . 4 LEU CD1 1 1 1 48 1 1 4 LEU CD2 C -4.938 -5.340 -5.276 1.00 . A A . 4 LEU CD2 1 1 1 49 1 1 4 LEU CG C -5.845 -4.160 -5.630 1.00 . A A . 4 LEU CG 1 1 1 50 1 1 4 LEU H H -8.114 -2.609 -3.464 1.00 . A A . 4 LEU H 1 1 1 51 1 1 4 LEU HA H -6.137 -4.811 -3.199 1.00 . A A . 4 LEU HA 1 1 1 52 1 1 4 LEU HB2 H -6.449 -2.287 -4.757 1.00 . A A . 4 LEU HB2 1 1 1 53 1 1 4 LEU HB3 H -4.799 -2.771 -4.366 1.00 . A A . 4 LEU HB3 1 1 1 54 1 1 4 LEU HD11 H -5.867 -2.597 -7.104 1.00 . A A . 4 LEU HD11 1 1 1 55 1 1 4 LEU HD12 H -5.520 -4.200 -7.754 1.00 . A A . 4 LEU HD12 1 1 1 56 1 1 4 LEU HD13 H -4.285 -3.329 -6.844 1.00 . A A . 4 LEU HD13 1 1 1 57 1 1 4 LEU HD21 H -4.419 -5.675 -6.164 1.00 . A A . 4 LEU HD21 1 1 1 58 1 1 4 LEU HD22 H -5.534 -6.150 -4.882 1.00 . A A . 4 LEU HD22 1 1 1 59 1 1 4 LEU HD23 H -4.214 -5.028 -4.536 1.00 . A A . 4 LEU HD23 1 1 1 60 1 1 4 LEU HG H -6.860 -4.513 -5.770 1.00 . A A . 4 LEU HG 1 1 1 61 1 1 4 LEU N N -7.768 -3.468 -3.137 1.00 . A A . 4 LEU N 1 1 1 62 1 1 4 LEU O O -4.447 -2.774 -2.036 1.00 . A A . 4 LEU O 1 1 1 63 1 1 5 GLU C C -4.331 -2.997 0.653 1.00 . A A . 5 GLU C 1 1 1 64 1 1 5 GLU CA C -5.688 -2.348 0.340 1.00 . A A . 5 GLU CA 1 1 1 65 1 1 5 GLU CB C -6.679 -2.597 1.491 1.00 . A A . 5 GLU CB 1 1 1 66 1 1 5 GLU CD C -6.727 -4.916 2.454 1.00 . A A . 5 GLU CD 1 1 1 67 1 1 5 GLU CG C -7.324 -3.996 1.393 1.00 . A A . 5 GLU CG 1 1 1 68 1 1 5 GLU H H -7.246 -3.234 -0.860 1.00 . A A . 5 GLU H 1 1 1 69 1 1 5 GLU HA H -5.561 -1.287 0.199 1.00 . A A . 5 GLU HA 1 1 1 70 1 1 5 GLU HB2 H -6.152 -2.517 2.429 1.00 . A A . 5 GLU HB2 1 1 1 71 1 1 5 GLU HB3 H -7.454 -1.847 1.455 1.00 . A A . 5 GLU HB3 1 1 1 72 1 1 5 GLU HG2 H -8.388 -3.912 1.558 1.00 . A A . 5 GLU HG2 1 1 1 73 1 1 5 GLU HG3 H -7.145 -4.418 0.419 1.00 . A A . 5 GLU HG3 1 1 1 74 1 1 5 GLU N N -6.309 -2.955 -0.881 1.00 . A A . 5 GLU N 1 1 1 75 1 1 5 GLU O O -3.444 -2.364 1.203 1.00 . A A . 5 GLU O 1 1 1 76 1 1 5 GLU OE1 O -6.953 -4.671 3.625 1.00 . A A . 5 GLU OE1 1 1 1 77 1 1 5 GLU OE2 O -6.063 -5.860 2.079 1.00 . A A . 5 GLU OE2 1 1 1 78 1 1 6 LYS C C -1.743 -4.357 -0.235 1.00 . A A . 6 LYS C 1 1 1 79 1 1 6 LYS CA C -2.872 -4.940 0.598 1.00 . A A . 6 LYS CA 1 1 1 80 1 1 6 LYS CB C -3.107 -6.403 0.221 1.00 . A A . 6 LYS CB 1 1 1 81 1 1 6 LYS CD C -1.796 -8.499 0.662 1.00 . A A . 6 LYS CD 1 1 1 82 1 1 6 LYS CE C -2.672 -9.186 -0.404 1.00 . A A . 6 LYS CE 1 1 1 83 1 1 6 LYS CG C -2.549 -7.326 1.307 1.00 . A A . 6 LYS CG 1 1 1 84 1 1 6 LYS H H -4.894 -4.735 -0.120 1.00 . A A . 6 LYS H 1 1 1 85 1 1 6 LYS HA H -2.627 -4.851 1.641 1.00 . A A . 6 LYS HA 1 1 1 86 1 1 6 LYS HB2 H -4.169 -6.579 0.110 1.00 . A A . 6 LYS HB2 1 1 1 87 1 1 6 LYS HB3 H -2.610 -6.612 -0.718 1.00 . A A . 6 LYS HB3 1 1 1 88 1 1 6 LYS HD2 H -0.894 -8.130 0.194 1.00 . A A . 6 LYS HD2 1 1 1 89 1 1 6 LYS HD3 H -1.533 -9.217 1.426 1.00 . A A . 6 LYS HD3 1 1 1 90 1 1 6 LYS HE2 H -2.907 -8.492 -1.201 1.00 . A A . 6 LYS HE2 1 1 1 91 1 1 6 LYS HE3 H -2.165 -10.053 -0.807 1.00 . A A . 6 LYS HE3 1 1 1 92 1 1 6 LYS HG2 H -1.871 -6.767 1.938 1.00 . A A . 6 LYS HG2 1 1 1 93 1 1 6 LYS HG3 H -3.361 -7.708 1.904 1.00 . A A . 6 LYS HG3 1 1 1 94 1 1 6 LYS HZ1 H -4.159 -10.579 0.043 1.00 . A A . 6 LYS HZ1 1 1 1 95 1 1 6 LYS HZ2 H -4.703 -8.979 0.014 1.00 . A A . 6 LYS HZ2 1 1 1 96 1 1 6 LYS HZ3 H -3.792 -9.535 1.325 1.00 . A A . 6 LYS HZ3 1 1 1 97 1 1 6 LYS N N -4.166 -4.247 0.314 1.00 . A A . 6 LYS N 1 1 1 98 1 1 6 LYS NZ N -3.923 -9.601 0.300 1.00 . A A . 6 LYS NZ 1 1 1 99 1 1 6 LYS O O -0.616 -4.288 0.222 1.00 . A A . 6 LYS O 1 1 1 100 1 1 7 LEU C C -0.083 -2.389 -1.514 1.00 . A A . 7 LEU C 1 1 1 101 1 1 7 LEU CA C -0.958 -3.350 -2.305 1.00 . A A . 7 LEU CA 1 1 1 102 1 1 7 LEU CB C -1.708 -2.563 -3.373 1.00 . A A . 7 LEU CB 1 1 1 103 1 1 7 LEU CD1 C -0.378 -2.741 -5.467 1.00 . A A . 7 LEU CD1 1 1 1 104 1 1 7 LEU CD2 C -1.503 -4.783 -4.560 1.00 . A A . 7 LEU CD2 1 1 1 105 1 1 7 LEU CG C -1.615 -3.260 -4.725 1.00 . A A . 7 LEU CG 1 1 1 106 1 1 7 LEU H H -2.941 -4.008 -1.795 1.00 . A A . 7 LEU H 1 1 1 107 1 1 7 LEU HA H -0.362 -4.122 -2.762 1.00 . A A . 7 LEU HA 1 1 1 108 1 1 7 LEU HB2 H -2.745 -2.469 -3.093 1.00 . A A . 7 LEU HB2 1 1 1 109 1 1 7 LEU HB3 H -1.275 -1.575 -3.455 1.00 . A A . 7 LEU HB3 1 1 1 110 1 1 7 LEU HD11 H -0.237 -3.299 -6.377 1.00 . A A . 7 LEU HD11 1 1 1 111 1 1 7 LEU HD12 H 0.491 -2.859 -4.836 1.00 . A A . 7 LEU HD12 1 1 1 112 1 1 7 LEU HD13 H -0.508 -1.693 -5.701 1.00 . A A . 7 LEU HD13 1 1 1 113 1 1 7 LEU HD21 H -0.463 -5.063 -4.526 1.00 . A A . 7 LEU HD21 1 1 1 114 1 1 7 LEU HD22 H -1.978 -5.275 -5.396 1.00 . A A . 7 LEU HD22 1 1 1 115 1 1 7 LEU HD23 H -1.988 -5.086 -3.642 1.00 . A A . 7 LEU HD23 1 1 1 116 1 1 7 LEU HG H -2.503 -3.028 -5.276 1.00 . A A . 7 LEU HG 1 1 1 117 1 1 7 LEU N N -2.023 -3.938 -1.446 1.00 . A A . 7 LEU N 1 1 1 118 1 1 7 LEU O O 1.072 -2.215 -1.815 1.00 . A A . 7 LEU O 1 1 1 119 1 1 8 MET C C 1.304 -1.563 1.016 1.00 . A A . 8 MET C 1 1 1 120 1 1 8 MET CA C 0.218 -0.800 0.263 1.00 . A A . 8 MET CA 1 1 1 121 1 1 8 MET CB C -0.747 -0.100 1.222 1.00 . A A . 8 MET CB 1 1 1 122 1 1 8 MET CE C -3.969 2.274 0.494 1.00 . A A . 8 MET CE 1 1 1 123 1 1 8 MET CG C -1.690 0.801 0.420 1.00 . A A . 8 MET CG 1 1 1 124 1 1 8 MET H H -1.563 -1.909 -0.282 1.00 . A A . 8 MET H 1 1 1 125 1 1 8 MET HA H 0.672 -0.084 -0.410 1.00 . A A . 8 MET HA 1 1 1 126 1 1 8 MET HB2 H -1.325 -0.841 1.758 1.00 . A A . 8 MET HB2 1 1 1 127 1 1 8 MET HB3 H -0.190 0.499 1.923 1.00 . A A . 8 MET HB3 1 1 1 128 1 1 8 MET HE1 H -4.494 3.144 0.859 1.00 . A A . 8 MET HE1 1 1 1 129 1 1 8 MET HE2 H -4.627 1.415 0.520 1.00 . A A . 8 MET HE2 1 1 1 130 1 1 8 MET HE3 H -3.655 2.450 -0.521 1.00 . A A . 8 MET HE3 1 1 1 131 1 1 8 MET HG2 H -1.120 1.352 -0.314 1.00 . A A . 8 MET HG2 1 1 1 132 1 1 8 MET HG3 H -2.428 0.193 -0.082 1.00 . A A . 8 MET HG3 1 1 1 133 1 1 8 MET N N -0.618 -1.758 -0.516 1.00 . A A . 8 MET N 1 1 1 134 1 1 8 MET O O 2.484 -1.376 0.767 1.00 . A A . 8 MET O 1 1 1 135 1 1 8 MET SD S -2.519 1.961 1.531 1.00 . A A . 8 MET SD 1 1 1 136 1 1 9 LYS C C 2.687 -4.114 1.607 1.00 . A A . 9 LYS C 1 1 1 137 1 1 9 LYS CA C 1.966 -3.241 2.626 1.00 . A A . 9 LYS CA 1 1 1 138 1 1 9 LYS CB C 1.224 -4.089 3.672 1.00 . A A . 9 LYS CB 1 1 1 139 1 1 9 LYS CD C 2.838 -3.157 5.351 1.00 . A A . 9 LYS CD 1 1 1 140 1 1 9 LYS CE C 3.116 -3.296 6.850 1.00 . A A . 9 LYS CE 1 1 1 141 1 1 9 LYS CG C 2.174 -4.433 4.830 1.00 . A A . 9 LYS CG 1 1 1 142 1 1 9 LYS H H -0.023 -2.610 2.069 1.00 . A A . 9 LYS H 1 1 1 143 1 1 9 LYS HA H 2.666 -2.580 3.098 1.00 . A A . 9 LYS HA 1 1 1 144 1 1 9 LYS HB2 H 0.379 -3.533 4.053 1.00 . A A . 9 LYS HB2 1 1 1 145 1 1 9 LYS HB3 H 0.878 -5.002 3.209 1.00 . A A . 9 LYS HB3 1 1 1 146 1 1 9 LYS HD2 H 3.765 -2.995 4.821 1.00 . A A . 9 LYS HD2 1 1 1 147 1 1 9 LYS HD3 H 2.178 -2.317 5.188 1.00 . A A . 9 LYS HD3 1 1 1 148 1 1 9 LYS HE2 H 3.265 -2.321 7.292 1.00 . A A . 9 LYS HE2 1 1 1 149 1 1 9 LYS HE3 H 2.299 -3.804 7.336 1.00 . A A . 9 LYS HE3 1 1 1 150 1 1 9 LYS HG2 H 1.615 -4.897 5.630 1.00 . A A . 9 LYS HG2 1 1 1 151 1 1 9 LYS HG3 H 2.932 -5.114 4.479 1.00 . A A . 9 LYS HG3 1 1 1 152 1 1 9 LYS HZ1 H 4.436 -4.508 7.917 1.00 . A A . 9 LYS HZ1 1 1 1 153 1 1 9 LYS HZ2 H 5.190 -3.517 6.770 1.00 . A A . 9 LYS HZ2 1 1 1 154 1 1 9 LYS HZ3 H 4.336 -4.892 6.267 1.00 . A A . 9 LYS HZ3 1 1 1 155 1 1 9 LYS N N 0.928 -2.448 1.905 1.00 . A A . 9 LYS N 1 1 1 156 1 1 9 LYS NZ N 4.361 -4.115 6.956 1.00 . A A . 9 LYS NZ 1 1 1 157 1 1 9 LYS O O 3.881 -4.307 1.681 1.00 . A A . 9 LYS O 1 1 1 158 1 1 10 ALA C C 3.709 -4.621 -1.060 1.00 . A A . 10 ALA C 1 1 1 159 1 1 10 ALA CA C 2.598 -5.415 -0.453 1.00 . A A . 10 ALA CA 1 1 1 160 1 1 10 ALA CB C 1.550 -5.505 -1.555 1.00 . A A . 10 ALA CB 1 1 1 161 1 1 10 ALA H H 1.009 -4.391 0.586 1.00 . A A . 10 ALA H 1 1 1 162 1 1 10 ALA HA H 2.917 -6.391 -0.119 1.00 . A A . 10 ALA HA 1 1 1 163 1 1 10 ALA HB1 H 0.819 -6.244 -1.317 1.00 . A A . 10 ALA HB1 1 1 1 164 1 1 10 ALA HB2 H 2.043 -5.750 -2.491 1.00 . A A . 10 ALA HB2 1 1 1 165 1 1 10 ALA HB3 H 1.077 -4.536 -1.660 1.00 . A A . 10 ALA HB3 1 1 1 166 1 1 10 ALA N N 1.968 -4.599 0.630 1.00 . A A . 10 ALA N 1 1 1 167 1 1 10 ALA O O 4.853 -5.024 -1.123 1.00 . A A . 10 ALA O 1 1 1 168 1 1 11 PHE C C 5.343 -2.125 -1.356 1.00 . A A . 11 PHE C 1 1 1 169 1 1 11 PHE CA C 4.267 -2.630 -2.245 1.00 . A A . 11 PHE CA 1 1 1 170 1 1 11 PHE CB C 3.485 -1.454 -2.712 1.00 . A A . 11 PHE CB 1 1 1 171 1 1 11 PHE CD1 C 4.148 -1.377 -5.064 1.00 . A A . 11 PHE CD1 1 1 1 172 1 1 11 PHE CD2 C 5.210 0.113 -3.488 1.00 . A A . 11 PHE CD2 1 1 1 173 1 1 11 PHE CE1 C 4.918 -0.842 -6.104 1.00 . A A . 11 PHE CE1 1 1 1 174 1 1 11 PHE CE2 C 5.996 0.656 -4.511 1.00 . A A . 11 PHE CE2 1 1 1 175 1 1 11 PHE CG C 4.300 -0.886 -3.788 1.00 . A A . 11 PHE CG 1 1 1 176 1 1 11 PHE CZ C 5.843 0.182 -5.826 1.00 . A A . 11 PHE CZ 1 1 1 177 1 1 11 PHE H H 2.380 -3.236 -1.517 1.00 . A A . 11 PHE H 1 1 1 178 1 1 11 PHE HA H 4.691 -3.132 -3.087 1.00 . A A . 11 PHE HA 1 1 1 179 1 1 11 PHE HB2 H 2.513 -1.751 -3.073 1.00 . A A . 11 PHE HB2 1 1 1 180 1 1 11 PHE HB3 H 3.381 -0.736 -1.913 1.00 . A A . 11 PHE HB3 1 1 1 181 1 1 11 PHE HD1 H 3.442 -2.193 -5.235 1.00 . A A . 11 PHE HD1 1 1 1 182 1 1 11 PHE HD2 H 5.330 0.432 -2.447 1.00 . A A . 11 PHE HD2 1 1 1 183 1 1 11 PHE HE1 H 4.810 -1.218 -7.112 1.00 . A A . 11 PHE HE1 1 1 1 184 1 1 11 PHE HE2 H 6.704 1.442 -4.293 1.00 . A A . 11 PHE HE2 1 1 1 185 1 1 11 PHE HZ H 6.442 0.599 -6.625 1.00 . A A . 11 PHE HZ 1 1 1 186 1 1 11 PHE N N 3.328 -3.494 -1.563 1.00 . A A . 11 PHE N 1 1 1 187 1 1 11 PHE O O 6.497 -2.158 -1.706 1.00 . A A . 11 PHE O 1 1 1 188 1 1 12 GLU C C 7.032 -2.276 0.892 1.00 . A A . 12 GLU C 1 1 1 189 1 1 12 GLU CA C 6.103 -1.085 0.577 1.00 . A A . 12 GLU CA 1 1 1 190 1 1 12 GLU CB C 5.485 -0.475 1.837 1.00 . A A . 12 GLU CB 1 1 1 191 1 1 12 GLU CD C 5.301 1.636 3.145 1.00 . A A . 12 GLU CD 1 1 1 192 1 1 12 GLU CG C 5.521 1.053 1.752 1.00 . A A . 12 GLU CG 1 1 1 193 1 1 12 GLU H H 4.068 -1.540 0.033 1.00 . A A . 12 GLU H 1 1 1 194 1 1 12 GLU HA H 6.602 -0.340 -0.042 1.00 . A A . 12 GLU HA 1 1 1 195 1 1 12 GLU HB2 H 4.462 -0.806 1.934 1.00 . A A . 12 GLU HB2 1 1 1 196 1 1 12 GLU HB3 H 6.048 -0.798 2.700 1.00 . A A . 12 GLU HB3 1 1 1 197 1 1 12 GLU HG2 H 6.480 1.372 1.372 1.00 . A A . 12 GLU HG2 1 1 1 198 1 1 12 GLU HG3 H 4.739 1.398 1.090 1.00 . A A . 12 GLU HG3 1 1 1 199 1 1 12 GLU N N 5.008 -1.607 -0.238 1.00 . A A . 12 GLU N 1 1 1 200 1 1 12 GLU O O 8.243 -2.185 0.801 1.00 . A A . 12 GLU O 1 1 1 201 1 1 12 GLU OE1 O 6.177 1.487 3.979 1.00 . A A . 12 GLU OE1 1 1 1 202 1 1 12 GLU OE2 O 4.257 2.219 3.362 1.00 . A A . 12 GLU OE2 1 1 1 203 1 1 13 SER C C 8.024 -4.988 0.097 1.00 . A A . 13 SER C 1 1 1 204 1 1 13 SER CA C 7.279 -4.646 1.402 1.00 . A A . 13 SER CA 1 1 1 205 1 1 13 SER CB C 6.280 -5.748 1.744 1.00 . A A . 13 SER CB 1 1 1 206 1 1 13 SER H H 5.468 -3.486 1.197 1.00 . A A . 13 SER H 1 1 1 207 1 1 13 SER HA H 7.967 -4.493 2.211 1.00 . A A . 13 SER HA 1 1 1 208 1 1 13 SER HB2 H 5.471 -5.739 1.027 1.00 . A A . 13 SER HB2 1 1 1 209 1 1 13 SER HB3 H 6.776 -6.708 1.707 1.00 . A A . 13 SER HB3 1 1 1 210 1 1 13 SER HG H 4.825 -5.269 2.948 1.00 . A A . 13 SER HG 1 1 1 211 1 1 13 SER N N 6.451 -3.421 1.180 1.00 . A A . 13 SER N 1 1 1 212 1 1 13 SER O O 8.998 -5.711 0.088 1.00 . A A . 13 SER O 1 1 1 213 1 1 13 SER OG O 5.757 -5.515 3.047 1.00 . A A . 13 SER OG 1 1 1 214 1 1 14 LEU C C 9.256 -3.575 -2.477 1.00 . A A . 14 LEU C 1 1 1 215 1 1 14 LEU CA C 8.184 -4.640 -2.330 1.00 . A A . 14 LEU CA 1 1 1 216 1 1 14 LEU CB C 6.995 -4.440 -3.290 1.00 . A A . 14 LEU CB 1 1 1 217 1 1 14 LEU CD1 C 6.233 -3.914 -5.550 1.00 . A A . 14 LEU CD1 1 1 1 218 1 1 14 LEU CD2 C 8.669 -3.908 -5.114 1.00 . A A . 14 LEU CD2 1 1 1 219 1 1 14 LEU CG C 7.348 -4.595 -4.769 1.00 . A A . 14 LEU CG 1 1 1 220 1 1 14 LEU H H 6.788 -3.845 -0.934 1.00 . A A . 14 LEU H 1 1 1 221 1 1 14 LEU HA H 8.607 -5.613 -2.414 1.00 . A A . 14 LEU HA 1 1 1 222 1 1 14 LEU HB2 H 6.233 -5.162 -3.050 1.00 . A A . 14 LEU HB2 1 1 1 223 1 1 14 LEU HB3 H 6.588 -3.452 -3.142 1.00 . A A . 14 LEU HB3 1 1 1 224 1 1 14 LEU HD11 H 6.487 -3.893 -6.592 1.00 . A A . 14 LEU HD11 1 1 1 225 1 1 14 LEU HD12 H 6.111 -2.900 -5.186 1.00 . A A . 14 LEU HD12 1 1 1 226 1 1 14 LEU HD13 H 5.312 -4.458 -5.404 1.00 . A A . 14 LEU HD13 1 1 1 227 1 1 14 LEU HD21 H 9.485 -4.466 -4.692 1.00 . A A . 14 LEU HD21 1 1 1 228 1 1 14 LEU HD22 H 8.670 -2.907 -4.713 1.00 . A A . 14 LEU HD22 1 1 1 229 1 1 14 LEU HD23 H 8.784 -3.863 -6.188 1.00 . A A . 14 LEU HD23 1 1 1 230 1 1 14 LEU HG H 7.392 -5.646 -5.032 1.00 . A A . 14 LEU HG 1 1 1 231 1 1 14 LEU N N 7.559 -4.436 -0.996 1.00 . A A . 14 LEU N 1 1 1 232 1 1 14 LEU O O 10.379 -3.848 -2.857 1.00 . A A . 14 LEU O 1 1 1 233 1 1 15 LYS C C 11.158 -1.812 -1.436 1.00 . A A . 15 LYS C 1 1 1 234 1 1 15 LYS CA C 9.895 -1.270 -2.090 1.00 . A A . 15 LYS CA 1 1 1 235 1 1 15 LYS CB C 9.173 -0.241 -1.222 1.00 . A A . 15 LYS CB 1 1 1 236 1 1 15 LYS CD C 10.978 1.450 -0.815 1.00 . A A . 15 LYS CD 1 1 1 237 1 1 15 LYS CE C 11.901 2.061 0.248 1.00 . A A . 15 LYS CE 1 1 1 238 1 1 15 LYS CG C 10.097 0.363 -0.181 1.00 . A A . 15 LYS CG 1 1 1 239 1 1 15 LYS H H 8.037 -2.218 -1.711 1.00 . A A . 15 LYS H 1 1 1 240 1 1 15 LYS HA H 10.073 -0.899 -3.086 1.00 . A A . 15 LYS HA 1 1 1 241 1 1 15 LYS HB2 H 8.774 0.520 -1.833 1.00 . A A . 15 LYS HB2 1 1 1 242 1 1 15 LYS HB3 H 8.356 -0.733 -0.713 1.00 . A A . 15 LYS HB3 1 1 1 243 1 1 15 LYS HD2 H 11.583 1.014 -1.598 1.00 . A A . 15 LYS HD2 1 1 1 244 1 1 15 LYS HD3 H 10.350 2.223 -1.234 1.00 . A A . 15 LYS HD3 1 1 1 245 1 1 15 LYS HE2 H 12.288 1.289 0.902 1.00 . A A . 15 LYS HE2 1 1 1 246 1 1 15 LYS HE3 H 12.714 2.590 -0.226 1.00 . A A . 15 LYS HE3 1 1 1 247 1 1 15 LYS HG2 H 9.488 0.791 0.597 1.00 . A A . 15 LYS HG2 1 1 1 248 1 1 15 LYS HG3 H 10.712 -0.414 0.234 1.00 . A A . 15 LYS HG3 1 1 1 249 1 1 15 LYS HZ1 H 11.486 3.195 1.937 1.00 . A A . 15 LYS HZ1 1 1 1 250 1 1 15 LYS HZ2 H 10.101 2.618 1.144 1.00 . A A . 15 LYS HZ2 1 1 1 251 1 1 15 LYS HZ3 H 10.983 3.911 0.487 1.00 . A A . 15 LYS HZ3 1 1 1 252 1 1 15 LYS N N 8.926 -2.376 -2.083 1.00 . A A . 15 LYS N 1 1 1 253 1 1 15 LYS NZ N 11.053 3.015 1.011 1.00 . A A . 15 LYS NZ 1 1 1 254 1 1 15 LYS O O 12.260 -1.666 -1.927 1.00 . A A . 15 LYS O 1 1 1 255 1 1 16 SER C C 13.062 -3.769 -0.548 1.00 . A A . 16 SER C 1 1 1 256 1 1 16 SER CA C 12.030 -3.170 0.412 1.00 . A A . 16 SER CA 1 1 1 257 1 1 16 SER CB C 11.314 -4.305 1.150 1.00 . A A . 16 SER CB 1 1 1 258 1 1 16 SER H H 10.007 -2.576 -0.040 1.00 . A A . 16 SER H 1 1 1 259 1 1 16 SER HA H 12.492 -2.503 1.105 1.00 . A A . 16 SER HA 1 1 1 260 1 1 16 SER HB2 H 10.272 -4.321 0.862 1.00 . A A . 16 SER HB2 1 1 1 261 1 1 16 SER HB3 H 11.766 -5.253 0.872 1.00 . A A . 16 SER HB3 1 1 1 262 1 1 16 SER HG H 12.338 -3.926 2.771 1.00 . A A . 16 SER HG 1 1 1 263 1 1 16 SER N N 10.937 -2.492 -0.347 1.00 . A A . 16 SER N 1 1 1 264 1 1 16 SER O O 14.236 -3.457 -0.487 1.00 . A A . 16 SER O 1 1 1 265 1 1 16 SER OG O 11.411 -4.103 2.560 1.00 . A A . 16 SER OG 1 1 1 266 1 1 17 PHE C C 13.435 -4.604 -3.769 1.00 . A A . 17 PHE C 1 1 1 267 1 1 17 PHE CA C 13.546 -5.269 -2.393 1.00 . A A . 17 PHE CA 1 1 1 268 1 1 17 PHE CB C 13.117 -6.748 -2.443 1.00 . A A . 17 PHE CB 1 1 1 269 1 1 17 PHE CD1 C 11.166 -6.560 -4.044 1.00 . A A . 17 PHE CD1 1 1 1 270 1 1 17 PHE CD2 C 10.776 -7.483 -1.841 1.00 . A A . 17 PHE CD2 1 1 1 271 1 1 17 PHE CE1 C 9.820 -6.759 -4.363 1.00 . A A . 17 PHE CE1 1 1 1 272 1 1 17 PHE CE2 C 9.426 -7.674 -2.157 1.00 . A A . 17 PHE CE2 1 1 1 273 1 1 17 PHE CG C 11.647 -6.919 -2.783 1.00 . A A . 17 PHE CG 1 1 1 274 1 1 17 PHE CZ C 8.950 -7.321 -3.422 1.00 . A A . 17 PHE CZ 1 1 1 275 1 1 17 PHE H H 11.677 -4.863 -1.442 1.00 . A A . 17 PHE H 1 1 1 276 1 1 17 PHE HA H 14.561 -5.201 -2.033 1.00 . A A . 17 PHE HA 1 1 1 277 1 1 17 PHE HB2 H 13.700 -7.250 -3.188 1.00 . A A . 17 PHE HB2 1 1 1 278 1 1 17 PHE HB3 H 13.309 -7.195 -1.482 1.00 . A A . 17 PHE HB3 1 1 1 279 1 1 17 PHE HD1 H 11.832 -6.127 -4.771 1.00 . A A . 17 PHE HD1 1 1 1 280 1 1 17 PHE HD2 H 11.143 -7.756 -0.863 1.00 . A A . 17 PHE HD2 1 1 1 281 1 1 17 PHE HE1 H 9.450 -6.464 -5.333 1.00 . A A . 17 PHE HE1 1 1 1 282 1 1 17 PHE HE2 H 8.753 -8.093 -1.420 1.00 . A A . 17 PHE HE2 1 1 1 283 1 1 17 PHE HZ H 7.907 -7.476 -3.672 1.00 . A A . 17 PHE HZ 1 1 1 284 1 1 17 PHE N N 12.621 -4.631 -1.424 1.00 . A A . 17 PHE N 1 1 1 285 1 1 17 PHE O O 13.693 -5.224 -4.785 1.00 . A A . 17 PHE O 1 1 1 286 1 1 18 NH2 HN1 H 12.850 -2.856 -3.041 1.00 . A A . 18 NH2 HN1 1 1 1 287 1 1 18 NH2 HN2 H 12.981 -2.932 -4.728 1.00 . A A . 18 NH2 HN2 1 1 1 288 1 1 18 NH2 N N 13.060 -3.363 -3.853 1.00 . A A . 18 NH2 N 1 1 2 289 1 1 1 MET C C -7.259 4.091 -2.288 1.00 . A A . 1 MET C 1 1 2 290 1 1 1 MET CA C -7.535 5.188 -3.324 1.00 . A A . 1 MET CA 1 1 2 291 1 1 1 MET CB C -8.954 5.758 -3.157 1.00 . A A . 1 MET CB 1 1 2 292 1 1 1 MET CE C -11.548 7.341 -1.763 1.00 . A A . 1 MET CE 1 1 2 293 1 1 1 MET CG C -8.903 7.042 -2.320 1.00 . A A . 1 MET CG 1 1 2 294 1 1 1 MET H1 H -7.678 5.339 -5.403 1.00 . A A . 1 MET H1 1 1 2 295 1 1 1 MET H2 H -8.222 3.855 -4.778 1.00 . A A . 1 MET H2 1 1 2 296 1 1 1 MET H3 H -6.563 4.185 -4.874 1.00 . A A . 1 MET H3 1 1 2 297 1 1 1 MET HA H -6.808 5.979 -3.232 1.00 . A A . 1 MET HA 1 1 2 298 1 1 1 MET HB2 H -9.373 5.980 -4.131 1.00 . A A . 1 MET HB2 1 1 2 299 1 1 1 MET HB3 H -9.580 5.033 -2.656 1.00 . A A . 1 MET HB3 1 1 2 300 1 1 1 MET HE1 H -12.382 7.262 -1.074 1.00 . A A . 1 MET HE1 1 1 2 301 1 1 1 MET HE2 H -11.704 6.679 -2.605 1.00 . A A . 1 MET HE2 1 1 2 302 1 1 1 MET HE3 H -11.473 8.356 -2.118 1.00 . A A . 1 MET HE3 1 1 2 303 1 1 1 MET HG2 H -7.895 7.201 -1.963 1.00 . A A . 1 MET HG2 1 1 2 304 1 1 1 MET HG3 H -9.205 7.882 -2.929 1.00 . A A . 1 MET HG3 1 1 2 305 1 1 1 MET N N -7.498 4.600 -4.698 1.00 . A A . 1 MET N 1 1 2 306 1 1 1 MET O O -6.696 3.060 -2.608 1.00 . A A . 1 MET O 1 1 2 307 1 1 1 MET SD S -10.024 6.881 -0.904 1.00 . A A . 1 MET SD 1 1 2 308 1 1 2 ALA C C -8.373 2.074 -0.175 1.00 . A A . 2 ALA C 1 1 2 309 1 1 2 ALA CA C -7.402 3.257 0.000 1.00 . A A . 2 ALA CA 1 1 2 310 1 1 2 ALA CB C -7.654 3.971 1.333 1.00 . A A . 2 ALA CB 1 1 2 311 1 1 2 ALA H H -8.094 5.133 -0.810 1.00 . A A . 2 ALA H 1 1 2 312 1 1 2 ALA HA H -6.378 2.914 -0.044 1.00 . A A . 2 ALA HA 1 1 2 313 1 1 2 ALA HB1 H -8.654 3.749 1.680 1.00 . A A . 2 ALA HB1 1 1 2 314 1 1 2 ALA HB2 H -7.548 5.038 1.197 1.00 . A A . 2 ALA HB2 1 1 2 315 1 1 2 ALA HB3 H -6.935 3.631 2.067 1.00 . A A . 2 ALA HB3 1 1 2 316 1 1 2 ALA N N -7.645 4.295 -1.050 1.00 . A A . 2 ALA N 1 1 2 317 1 1 2 ALA O O -9.025 1.643 0.762 1.00 . A A . 2 ALA O 1 1 2 318 1 1 3 THR C C -8.550 -0.900 -1.593 1.00 . A A . 3 THR C 1 1 2 319 1 1 3 THR CA C -9.372 0.388 -1.616 1.00 . A A . 3 THR CA 1 1 2 320 1 1 3 THR CB C -9.963 0.648 -3.010 1.00 . A A . 3 THR CB 1 1 2 321 1 1 3 THR CG2 C -11.249 1.477 -2.874 1.00 . A A . 3 THR CG2 1 1 2 322 1 1 3 THR H H -7.927 1.893 -2.103 1.00 . A A . 3 THR H 1 1 2 323 1 1 3 THR HA H -10.159 0.351 -0.879 1.00 . A A . 3 THR HA 1 1 2 324 1 1 3 THR HB H -10.195 -0.295 -3.482 1.00 . A A . 3 THR HB 1 1 2 325 1 1 3 THR HG1 H -8.954 0.924 -4.660 1.00 . A A . 3 THR HG1 1 1 2 326 1 1 3 THR HG21 H -11.256 2.264 -3.615 1.00 . A A . 3 THR HG21 1 1 2 327 1 1 3 THR HG22 H -11.296 1.913 -1.886 1.00 . A A . 3 THR HG22 1 1 2 328 1 1 3 THR HG23 H -12.103 0.837 -3.023 1.00 . A A . 3 THR HG23 1 1 2 329 1 1 3 THR N N -8.467 1.543 -1.364 1.00 . A A . 3 THR N 1 1 2 330 1 1 3 THR O O -8.813 -1.806 -0.825 1.00 . A A . 3 THR O 1 1 2 331 1 1 3 THR OG1 O -9.020 1.365 -3.805 1.00 . A A . 3 THR OG1 1 1 2 332 1 1 4 LEU C C -5.583 -2.038 -1.359 1.00 . A A . 4 LEU C 1 1 2 333 1 1 4 LEU CA C -6.660 -2.173 -2.440 1.00 . A A . 4 LEU CA 1 1 2 334 1 1 4 LEU CB C -6.034 -2.190 -3.839 1.00 . A A . 4 LEU CB 1 1 2 335 1 1 4 LEU CD1 C -6.936 -2.679 -6.120 1.00 . A A . 4 LEU CD1 1 1 2 336 1 1 4 LEU CD2 C -5.907 -4.507 -4.764 1.00 . A A . 4 LEU CD2 1 1 2 337 1 1 4 LEU CG C -6.749 -3.230 -4.706 1.00 . A A . 4 LEU CG 1 1 2 338 1 1 4 LEU H H -7.335 -0.212 -2.993 1.00 . A A . 4 LEU H 1 1 2 339 1 1 4 LEU HA H -7.242 -3.064 -2.282 1.00 . A A . 4 LEU HA 1 1 2 340 1 1 4 LEU HB2 H -6.132 -1.214 -4.293 1.00 . A A . 4 LEU HB2 1 1 2 341 1 1 4 LEU HB3 H -4.989 -2.446 -3.764 1.00 . A A . 4 LEU HB3 1 1 2 342 1 1 4 LEU HD11 H -6.539 -1.674 -6.173 1.00 . A A . 4 LEU HD11 1 1 2 343 1 1 4 LEU HD12 H -7.987 -2.659 -6.361 1.00 . A A . 4 LEU HD12 1 1 2 344 1 1 4 LEU HD13 H -6.415 -3.309 -6.825 1.00 . A A . 4 LEU HD13 1 1 2 345 1 1 4 LEU HD21 H -5.904 -4.978 -3.791 1.00 . A A . 4 LEU HD21 1 1 2 346 1 1 4 LEU HD22 H -4.896 -4.259 -5.051 1.00 . A A . 4 LEU HD22 1 1 2 347 1 1 4 LEU HD23 H -6.330 -5.186 -5.489 1.00 . A A . 4 LEU HD23 1 1 2 348 1 1 4 LEU HG H -7.714 -3.454 -4.278 1.00 . A A . 4 LEU HG 1 1 2 349 1 1 4 LEU N N -7.535 -0.968 -2.410 1.00 . A A . 4 LEU N 1 1 2 350 1 1 4 LEU O O -4.400 -2.029 -1.642 1.00 . A A . 4 LEU O 1 1 2 351 1 1 5 GLU C C -3.882 -2.801 0.869 1.00 . A A . 5 GLU C 1 1 2 352 1 1 5 GLU CA C -5.008 -1.770 1.001 1.00 . A A . 5 GLU CA 1 1 2 353 1 1 5 GLU CB C -5.807 -2.009 2.292 1.00 . A A . 5 GLU CB 1 1 2 354 1 1 5 GLU CD C -6.432 -4.293 3.092 1.00 . A A . 5 GLU CD 1 1 2 355 1 1 5 GLU CG C -6.790 -3.178 2.120 1.00 . A A . 5 GLU CG 1 1 2 356 1 1 5 GLU H H -6.956 -1.911 0.063 1.00 . A A . 5 GLU H 1 1 2 357 1 1 5 GLU HA H -4.598 -0.775 1.006 1.00 . A A . 5 GLU HA 1 1 2 358 1 1 5 GLU HB2 H -5.120 -2.236 3.095 1.00 . A A . 5 GLU HB2 1 1 2 359 1 1 5 GLU HB3 H -6.359 -1.114 2.539 1.00 . A A . 5 GLU HB3 1 1 2 360 1 1 5 GLU HG2 H -7.793 -2.831 2.323 1.00 . A A . 5 GLU HG2 1 1 2 361 1 1 5 GLU HG3 H -6.737 -3.551 1.111 1.00 . A A . 5 GLU HG3 1 1 2 362 1 1 5 GLU N N -5.994 -1.917 -0.124 1.00 . A A . 5 GLU N 1 1 2 363 1 1 5 GLU O O -2.731 -2.506 1.124 1.00 . A A . 5 GLU O 1 1 2 364 1 1 5 GLU OE1 O -6.522 -4.065 4.282 1.00 . A A . 5 GLU OE1 1 1 2 365 1 1 5 GLU OE2 O -6.077 -5.360 2.633 1.00 . A A . 5 GLU OE2 1 1 2 366 1 1 6 LYS C C -1.996 -4.547 -0.553 1.00 . A A . 6 LYS C 1 1 2 367 1 1 6 LYS CA C -3.145 -5.054 0.313 1.00 . A A . 6 LYS CA 1 1 2 368 1 1 6 LYS CB C -3.838 -6.235 -0.366 1.00 . A A . 6 LYS CB 1 1 2 369 1 1 6 LYS CD C -3.144 -8.278 0.909 1.00 . A A . 6 LYS CD 1 1 2 370 1 1 6 LYS CE C -3.203 -8.805 2.350 1.00 . A A . 6 LYS CE 1 1 2 371 1 1 6 LYS CG C -4.266 -7.264 0.680 1.00 . A A . 6 LYS CG 1 1 2 372 1 1 6 LYS H H -5.133 -4.225 0.263 1.00 . A A . 6 LYS H 1 1 2 373 1 1 6 LYS HA H -2.773 -5.343 1.275 1.00 . A A . 6 LYS HA 1 1 2 374 1 1 6 LYS HB2 H -4.709 -5.883 -0.897 1.00 . A A . 6 LYS HB2 1 1 2 375 1 1 6 LYS HB3 H -3.158 -6.688 -1.066 1.00 . A A . 6 LYS HB3 1 1 2 376 1 1 6 LYS HD2 H -3.259 -9.100 0.218 1.00 . A A . 6 LYS HD2 1 1 2 377 1 1 6 LYS HD3 H -2.188 -7.803 0.744 1.00 . A A . 6 LYS HD3 1 1 2 378 1 1 6 LYS HE2 H -2.442 -9.558 2.498 1.00 . A A . 6 LYS HE2 1 1 2 379 1 1 6 LYS HE3 H -3.070 -7.994 3.052 1.00 . A A . 6 LYS HE3 1 1 2 380 1 1 6 LYS HG2 H -4.491 -6.764 1.610 1.00 . A A . 6 LYS HG2 1 1 2 381 1 1 6 LYS HG3 H -5.145 -7.782 0.329 1.00 . A A . 6 LYS HG3 1 1 2 382 1 1 6 LYS HZ1 H -5.293 -8.660 2.425 1.00 . A A . 6 LYS HZ1 1 1 2 383 1 1 6 LYS HZ2 H -4.641 -9.845 3.446 1.00 . A A . 6 LYS HZ2 1 1 2 384 1 1 6 LYS HZ3 H -4.725 -10.123 1.781 1.00 . A A . 6 LYS HZ3 1 1 2 385 1 1 6 LYS N N -4.200 -4.007 0.466 1.00 . A A . 6 LYS N 1 1 2 386 1 1 6 LYS NZ N -4.567 -9.401 2.509 1.00 . A A . 6 LYS NZ 1 1 2 387 1 1 6 LYS O O -0.840 -4.664 -0.185 1.00 . A A . 6 LYS O 1 1 2 388 1 1 7 LEU C C -0.305 -2.484 -1.811 1.00 . A A . 7 LEU C 1 1 2 389 1 1 7 LEU CA C -1.220 -3.453 -2.585 1.00 . A A . 7 LEU CA 1 1 2 390 1 1 7 LEU CB C -1.958 -2.748 -3.746 1.00 . A A . 7 LEU CB 1 1 2 391 1 1 7 LEU CD1 C -0.535 -0.751 -4.277 1.00 . A A . 7 LEU CD1 1 1 2 392 1 1 7 LEU CD2 C -3.022 -0.579 -4.380 1.00 . A A . 7 LEU CD2 1 1 2 393 1 1 7 LEU CG C -1.848 -1.221 -3.640 1.00 . A A . 7 LEU CG 1 1 2 394 1 1 7 LEU H H -3.237 -3.901 -1.955 1.00 . A A . 7 LEU H 1 1 2 395 1 1 7 LEU HA H -0.637 -4.271 -2.974 1.00 . A A . 7 LEU HA 1 1 2 396 1 1 7 LEU HB2 H -1.523 -3.066 -4.683 1.00 . A A . 7 LEU HB2 1 1 2 397 1 1 7 LEU HB3 H -2.998 -3.032 -3.726 1.00 . A A . 7 LEU HB3 1 1 2 398 1 1 7 LEU HD11 H 0.117 -1.598 -4.425 1.00 . A A . 7 LEU HD11 1 1 2 399 1 1 7 LEU HD12 H -0.053 -0.037 -3.629 1.00 . A A . 7 LEU HD12 1 1 2 400 1 1 7 LEU HD13 H -0.741 -0.289 -5.231 1.00 . A A . 7 LEU HD13 1 1 2 401 1 1 7 LEU HD21 H -3.091 -0.996 -5.374 1.00 . A A . 7 LEU HD21 1 1 2 402 1 1 7 LEU HD22 H -2.866 0.487 -4.448 1.00 . A A . 7 LEU HD22 1 1 2 403 1 1 7 LEU HD23 H -3.938 -0.779 -3.842 1.00 . A A . 7 LEU HD23 1 1 2 404 1 1 7 LEU HG H -1.874 -0.926 -2.604 1.00 . A A . 7 LEU HG 1 1 2 405 1 1 7 LEU N N -2.301 -3.981 -1.692 1.00 . A A . 7 LEU N 1 1 2 406 1 1 7 LEU O O 0.799 -2.195 -2.236 1.00 . A A . 7 LEU O 1 1 2 407 1 1 8 MET C C 1.155 -1.894 0.907 1.00 . A A . 8 MET C 1 1 2 408 1 1 8 MET CA C 0.142 -1.069 0.109 1.00 . A A . 8 MET CA 1 1 2 409 1 1 8 MET CB C -0.801 -0.229 1.001 1.00 . A A . 8 MET CB 1 1 2 410 1 1 8 MET CE C -1.054 1.819 3.505 1.00 . A A . 8 MET CE 1 1 2 411 1 1 8 MET CG C -0.734 -0.678 2.466 1.00 . A A . 8 MET CG 1 1 2 412 1 1 8 MET H H -1.616 -2.259 -0.312 1.00 . A A . 8 MET H 1 1 2 413 1 1 8 MET HA H 0.676 -0.423 -0.578 1.00 . A A . 8 MET HA 1 1 2 414 1 1 8 MET HB2 H -0.513 0.809 0.938 1.00 . A A . 8 MET HB2 1 1 2 415 1 1 8 MET HB3 H -1.816 -0.335 0.646 1.00 . A A . 8 MET HB3 1 1 2 416 1 1 8 MET HE1 H 0.006 1.633 3.411 1.00 . A A . 8 MET HE1 1 1 2 417 1 1 8 MET HE2 H -1.255 2.309 4.450 1.00 . A A . 8 MET HE2 1 1 2 418 1 1 8 MET HE3 H -1.382 2.451 2.697 1.00 . A A . 8 MET HE3 1 1 2 419 1 1 8 MET HG2 H -0.954 -1.730 2.532 1.00 . A A . 8 MET HG2 1 1 2 420 1 1 8 MET HG3 H 0.258 -0.492 2.855 1.00 . A A . 8 MET HG3 1 1 2 421 1 1 8 MET N N -0.733 -1.997 -0.665 1.00 . A A . 8 MET N 1 1 2 422 1 1 8 MET O O 2.335 -1.621 0.868 1.00 . A A . 8 MET O 1 1 2 423 1 1 8 MET SD S -1.951 0.247 3.441 1.00 . A A . 8 MET SD 1 1 2 424 1 1 9 LYS C C 2.572 -4.464 1.278 1.00 . A A . 9 LYS C 1 1 2 425 1 1 9 LYS CA C 1.696 -3.778 2.321 1.00 . A A . 9 LYS CA 1 1 2 426 1 1 9 LYS CB C 0.859 -4.785 3.112 1.00 . A A . 9 LYS CB 1 1 2 427 1 1 9 LYS CD C 0.977 -6.412 5.025 1.00 . A A . 9 LYS CD 1 1 2 428 1 1 9 LYS CE C 0.149 -6.027 6.259 1.00 . A A . 9 LYS CE 1 1 2 429 1 1 9 LYS CG C 1.607 -5.161 4.396 1.00 . A A . 9 LYS CG 1 1 2 430 1 1 9 LYS H H -0.226 -3.168 1.575 1.00 . A A . 9 LYS H 1 1 2 431 1 1 9 LYS HA H 2.298 -3.179 2.976 1.00 . A A . 9 LYS HA 1 1 2 432 1 1 9 LYS HB2 H -0.096 -4.341 3.363 1.00 . A A . 9 LYS HB2 1 1 2 433 1 1 9 LYS HB3 H 0.699 -5.668 2.515 1.00 . A A . 9 LYS HB3 1 1 2 434 1 1 9 LYS HD2 H 0.338 -6.894 4.301 1.00 . A A . 9 LYS HD2 1 1 2 435 1 1 9 LYS HD3 H 1.758 -7.094 5.322 1.00 . A A . 9 LYS HD3 1 1 2 436 1 1 9 LYS HE2 H -0.653 -5.358 5.975 1.00 . A A . 9 LYS HE2 1 1 2 437 1 1 9 LYS HE3 H -0.248 -6.911 6.732 1.00 . A A . 9 LYS HE3 1 1 2 438 1 1 9 LYS HG2 H 2.641 -5.361 4.160 1.00 . A A . 9 LYS HG2 1 1 2 439 1 1 9 LYS HG3 H 1.554 -4.338 5.096 1.00 . A A . 9 LYS HG3 1 1 2 440 1 1 9 LYS HZ1 H 0.771 -5.442 8.158 1.00 . A A . 9 LYS HZ1 1 1 2 441 1 1 9 LYS HZ2 H 1.146 -4.329 6.944 1.00 . A A . 9 LYS HZ2 1 1 2 442 1 1 9 LYS HZ3 H 2.049 -5.760 7.091 1.00 . A A . 9 LYS HZ3 1 1 2 443 1 1 9 LYS N N 0.721 -2.929 1.585 1.00 . A A . 9 LYS N 1 1 2 444 1 1 9 LYS NZ N 1.101 -5.337 7.182 1.00 . A A . 9 LYS NZ 1 1 2 445 1 1 9 LYS O O 3.777 -4.547 1.416 1.00 . A A . 9 LYS O 1 1 2 446 1 1 10 ALA C C 3.823 -4.598 -1.303 1.00 . A A . 10 ALA C 1 1 2 447 1 1 10 ALA CA C 2.721 -5.519 -0.917 1.00 . A A . 10 ALA CA 1 1 2 448 1 1 10 ALA CB C 1.764 -5.509 -2.111 1.00 . A A . 10 ALA CB 1 1 2 449 1 1 10 ALA H H 0.993 -4.757 0.126 1.00 . A A . 10 ALA H 1 1 2 450 1 1 10 ALA HA H 3.073 -6.509 -0.685 1.00 . A A . 10 ALA HA 1 1 2 451 1 1 10 ALA HB1 H 0.831 -5.048 -1.824 1.00 . A A . 10 ALA HB1 1 1 2 452 1 1 10 ALA HB2 H 1.600 -6.502 -2.457 1.00 . A A . 10 ALA HB2 1 1 2 453 1 1 10 ALA HB3 H 2.213 -4.915 -2.909 1.00 . A A . 10 ALA HB3 1 1 2 454 1 1 10 ALA N N 1.960 -4.891 0.207 1.00 . A A . 10 ALA N 1 1 2 455 1 1 10 ALA O O 4.999 -4.906 -1.257 1.00 . A A . 10 ALA O 1 1 2 456 1 1 11 PHE C C 5.293 -2.073 -1.129 1.00 . A A . 11 PHE C 1 1 2 457 1 1 11 PHE CA C 4.308 -2.446 -2.188 1.00 . A A . 11 PHE CA 1 1 2 458 1 1 11 PHE CB C 3.462 -1.248 -2.472 1.00 . A A . 11 PHE CB 1 1 2 459 1 1 11 PHE CD1 C 5.089 -0.295 -4.064 1.00 . A A . 11 PHE CD1 1 1 2 460 1 1 11 PHE CD2 C 4.640 0.866 -1.996 1.00 . A A . 11 PHE CD2 1 1 2 461 1 1 11 PHE CE1 C 6.002 0.698 -4.436 1.00 . A A . 11 PHE CE1 1 1 2 462 1 1 11 PHE CE2 C 5.555 1.868 -2.352 1.00 . A A . 11 PHE CE2 1 1 2 463 1 1 11 PHE CG C 4.418 -0.191 -2.857 1.00 . A A . 11 PHE CG 1 1 2 464 1 1 11 PHE CZ C 6.232 1.785 -3.581 1.00 . A A . 11 PHE CZ 1 1 2 465 1 1 11 PHE H H 2.429 -3.287 -1.762 1.00 . A A . 11 PHE H 1 1 2 466 1 1 11 PHE HA H 4.806 -2.762 -3.080 1.00 . A A . 11 PHE HA 1 1 2 467 1 1 11 PHE HB2 H 2.767 -1.454 -3.263 1.00 . A A . 11 PHE HB2 1 1 2 468 1 1 11 PHE HB3 H 2.928 -0.952 -1.584 1.00 . A A . 11 PHE HB3 1 1 2 469 1 1 11 PHE HD1 H 4.909 -1.166 -4.700 1.00 . A A . 11 PHE HD1 1 1 2 470 1 1 11 PHE HD2 H 4.125 0.882 -1.035 1.00 . A A . 11 PHE HD2 1 1 2 471 1 1 11 PHE HE1 H 6.532 0.625 -5.374 1.00 . A A . 11 PHE HE1 1 1 2 472 1 1 11 PHE HE2 H 5.728 2.705 -1.693 1.00 . A A . 11 PHE HE2 1 1 2 473 1 1 11 PHE HZ H 6.936 2.554 -3.866 1.00 . A A . 11 PHE HZ 1 1 2 474 1 1 11 PHE N N 3.395 -3.460 -1.728 1.00 . A A . 11 PHE N 1 1 2 475 1 1 11 PHE O O 6.467 -2.164 -1.332 1.00 . A A . 11 PHE O 1 1 2 476 1 1 12 GLU C C 6.790 -2.319 1.249 1.00 . A A . 12 GLU C 1 1 2 477 1 1 12 GLU CA C 5.795 -1.175 1.013 1.00 . A A . 12 GLU CA 1 1 2 478 1 1 12 GLU CB C 4.974 -0.879 2.261 1.00 . A A . 12 GLU CB 1 1 2 479 1 1 12 GLU CD C 5.695 1.249 3.334 1.00 . A A . 12 GLU CD 1 1 2 480 1 1 12 GLU CG C 4.712 0.623 2.350 1.00 . A A . 12 GLU CG 1 1 2 481 1 1 12 GLU H H 3.864 -1.490 0.109 1.00 . A A . 12 GLU H 1 1 2 482 1 1 12 GLU HA H 6.297 -0.282 0.653 1.00 . A A . 12 GLU HA 1 1 2 483 1 1 12 GLU HB2 H 4.036 -1.411 2.212 1.00 . A A . 12 GLU HB2 1 1 2 484 1 1 12 GLU HB3 H 5.522 -1.199 3.131 1.00 . A A . 12 GLU HB3 1 1 2 485 1 1 12 GLU HG2 H 4.841 1.074 1.376 1.00 . A A . 12 GLU HG2 1 1 2 486 1 1 12 GLU HG3 H 3.703 0.790 2.693 1.00 . A A . 12 GLU HG3 1 1 2 487 1 1 12 GLU N N 4.831 -1.598 -0.022 1.00 . A A . 12 GLU N 1 1 2 488 1 1 12 GLU O O 7.989 -2.116 1.325 1.00 . A A . 12 GLU O 1 1 2 489 1 1 12 GLU OE1 O 6.885 1.047 3.173 1.00 . A A . 12 GLU OE1 1 1 2 490 1 1 12 GLU OE2 O 5.249 1.929 4.237 1.00 . A A . 12 GLU OE2 1 1 2 491 1 1 13 SER C C 8.153 -4.781 0.259 1.00 . A A . 13 SER C 1 1 2 492 1 1 13 SER CA C 7.194 -4.719 1.462 1.00 . A A . 13 SER CA 1 1 2 493 1 1 13 SER CB C 6.257 -5.934 1.465 1.00 . A A . 13 SER CB 1 1 2 494 1 1 13 SER H H 5.320 -3.667 1.205 1.00 . A A . 13 SER H 1 1 2 495 1 1 13 SER HA H 7.746 -4.659 2.382 1.00 . A A . 13 SER HA 1 1 2 496 1 1 13 SER HB2 H 5.590 -5.883 0.612 1.00 . A A . 13 SER HB2 1 1 2 497 1 1 13 SER HB3 H 6.843 -6.842 1.402 1.00 . A A . 13 SER HB3 1 1 2 498 1 1 13 SER HG H 4.770 -5.278 2.544 1.00 . A A . 13 SER HG 1 1 2 499 1 1 13 SER N N 6.293 -3.534 1.305 1.00 . A A . 13 SER N 1 1 2 500 1 1 13 SER O O 9.213 -5.370 0.323 1.00 . A A . 13 SER O 1 1 2 501 1 1 13 SER OG O 5.479 -5.931 2.662 1.00 . A A . 13 SER OG 1 1 2 502 1 1 14 LEU C C 9.414 -2.805 -2.039 1.00 . A A . 14 LEU C 1 1 2 503 1 1 14 LEU CA C 8.615 -4.110 -2.054 1.00 . A A . 14 LEU CA 1 1 2 504 1 1 14 LEU CB C 7.566 -4.230 -3.197 1.00 . A A . 14 LEU CB 1 1 2 505 1 1 14 LEU CD1 C 7.758 -1.919 -4.107 1.00 . A A . 14 LEU CD1 1 1 2 506 1 1 14 LEU CD2 C 9.312 -3.673 -4.962 1.00 . A A . 14 LEU CD2 1 1 2 507 1 1 14 LEU CG C 7.898 -3.391 -4.445 1.00 . A A . 14 LEU CG 1 1 2 508 1 1 14 LEU H H 6.921 -3.675 -0.822 1.00 . A A . 14 LEU H 1 1 2 509 1 1 14 LEU HA H 9.285 -4.939 -2.063 1.00 . A A . 14 LEU HA 1 1 2 510 1 1 14 LEU HB2 H 7.482 -5.260 -3.491 1.00 . A A . 14 LEU HB2 1 1 2 511 1 1 14 LEU HB3 H 6.606 -3.902 -2.812 1.00 . A A . 14 LEU HB3 1 1 2 512 1 1 14 LEU HD11 H 8.721 -1.519 -3.837 1.00 . A A . 14 LEU HD11 1 1 2 513 1 1 14 LEU HD12 H 7.076 -1.810 -3.276 1.00 . A A . 14 LEU HD12 1 1 2 514 1 1 14 LEU HD13 H 7.369 -1.390 -4.959 1.00 . A A . 14 LEU HD13 1 1 2 515 1 1 14 LEU HD21 H 9.429 -4.731 -5.132 1.00 . A A . 14 LEU HD21 1 1 2 516 1 1 14 LEU HD22 H 10.038 -3.344 -4.241 1.00 . A A . 14 LEU HD22 1 1 2 517 1 1 14 LEU HD23 H 9.468 -3.142 -5.893 1.00 . A A . 14 LEU HD23 1 1 2 518 1 1 14 LEU HG H 7.186 -3.637 -5.221 1.00 . A A . 14 LEU HG 1 1 2 519 1 1 14 LEU N N 7.775 -4.153 -0.821 1.00 . A A . 14 LEU N 1 1 2 520 1 1 14 LEU O O 10.576 -2.764 -2.397 1.00 . A A . 14 LEU O 1 1 2 521 1 1 15 LYS C C 10.747 -0.778 -0.554 1.00 . A A . 15 LYS C 1 1 2 522 1 1 15 LYS CA C 9.517 -0.468 -1.391 1.00 . A A . 15 LYS CA 1 1 2 523 1 1 15 LYS CB C 8.483 0.352 -0.615 1.00 . A A . 15 LYS CB 1 1 2 524 1 1 15 LYS CD C 8.575 2.456 0.740 1.00 . A A . 15 LYS CD 1 1 2 525 1 1 15 LYS CE C 9.316 3.185 1.873 1.00 . A A . 15 LYS CE 1 1 2 526 1 1 15 LYS CG C 9.110 1.026 0.600 1.00 . A A . 15 LYS CG 1 1 2 527 1 1 15 LYS H H 7.906 -1.838 -1.202 1.00 . A A . 15 LYS H 1 1 2 528 1 1 15 LYS HA H 9.760 -0.022 -2.338 1.00 . A A . 15 LYS HA 1 1 2 529 1 1 15 LYS HB2 H 8.059 1.081 -1.256 1.00 . A A . 15 LYS HB2 1 1 2 530 1 1 15 LYS HB3 H 7.699 -0.311 -0.276 1.00 . A A . 15 LYS HB3 1 1 2 531 1 1 15 LYS HD2 H 8.726 2.988 -0.190 1.00 . A A . 15 LYS HD2 1 1 2 532 1 1 15 LYS HD3 H 7.521 2.425 0.966 1.00 . A A . 15 LYS HD3 1 1 2 533 1 1 15 LYS HE2 H 10.358 3.316 1.610 1.00 . A A . 15 LYS HE2 1 1 2 534 1 1 15 LYS HE3 H 8.855 4.142 2.066 1.00 . A A . 15 LYS HE3 1 1 2 535 1 1 15 LYS HG2 H 8.852 0.453 1.480 1.00 . A A . 15 LYS HG2 1 1 2 536 1 1 15 LYS HG3 H 10.180 1.048 0.484 1.00 . A A . 15 LYS HG3 1 1 2 537 1 1 15 LYS HZ1 H 8.265 1.816 3.060 1.00 . A A . 15 LYS HZ1 1 1 2 538 1 1 15 LYS HZ2 H 9.255 2.881 3.935 1.00 . A A . 15 LYS HZ2 1 1 2 539 1 1 15 LYS HZ3 H 9.954 1.599 3.069 1.00 . A A . 15 LYS HZ3 1 1 2 540 1 1 15 LYS N N 8.817 -1.758 -1.544 1.00 . A A . 15 LYS N 1 1 2 541 1 1 15 LYS NZ N 9.188 2.305 3.073 1.00 . A A . 15 LYS NZ 1 1 2 542 1 1 15 LYS O O 11.860 -0.405 -0.856 1.00 . A A . 15 LYS O 1 1 2 543 1 1 16 SER C C 12.865 -2.261 0.708 1.00 . A A . 16 SER C 1 1 2 544 1 1 16 SER CA C 11.530 -2.000 1.419 1.00 . A A . 16 SER CA 1 1 2 545 1 1 16 SER CB C 10.928 -3.319 1.909 1.00 . A A . 16 SER CB 1 1 2 546 1 1 16 SER H H 9.548 -1.785 0.626 1.00 . A A . 16 SER H 1 1 2 547 1 1 16 SER HA H 11.658 -1.321 2.239 1.00 . A A . 16 SER HA 1 1 2 548 1 1 16 SER HB2 H 10.490 -3.845 1.065 1.00 . A A . 16 SER HB2 1 1 2 549 1 1 16 SER HB3 H 11.701 -3.936 2.339 1.00 . A A . 16 SER HB3 1 1 2 550 1 1 16 SER HG H 9.077 -2.896 2.395 1.00 . A A . 16 SER HG 1 1 2 551 1 1 16 SER N N 10.486 -1.516 0.478 1.00 . A A . 16 SER N 1 1 2 552 1 1 16 SER O O 13.903 -1.752 1.095 1.00 . A A . 16 SER O 1 1 2 553 1 1 16 SER OG O 9.910 -3.044 2.873 1.00 . A A . 16 SER OG 1 1 2 554 1 1 17 PHE C C 14.141 -2.698 -2.407 1.00 . A A . 17 PHE C 1 1 2 555 1 1 17 PHE CA C 14.093 -3.400 -1.044 1.00 . A A . 17 PHE CA 1 1 2 556 1 1 17 PHE CB C 14.034 -4.920 -1.212 1.00 . A A . 17 PHE CB 1 1 2 557 1 1 17 PHE CD1 C 12.558 -4.989 -3.256 1.00 . A A . 17 PHE CD1 1 1 2 558 1 1 17 PHE CD2 C 11.803 -6.089 -1.237 1.00 . A A . 17 PHE CD2 1 1 2 559 1 1 17 PHE CE1 C 11.394 -5.385 -3.910 1.00 . A A . 17 PHE CE1 1 1 2 560 1 1 17 PHE CE2 C 10.632 -6.484 -1.890 1.00 . A A . 17 PHE CE2 1 1 2 561 1 1 17 PHE CG C 12.767 -5.342 -1.920 1.00 . A A . 17 PHE CG 1 1 2 562 1 1 17 PHE CZ C 10.429 -6.133 -3.233 1.00 . A A . 17 PHE CZ 1 1 2 563 1 1 17 PHE H H 12.001 -3.471 -0.586 1.00 . A A . 17 PHE H 1 1 2 564 1 1 17 PHE HA H 14.958 -3.131 -0.455 1.00 . A A . 17 PHE HA 1 1 2 565 1 1 17 PHE HB2 H 14.874 -5.242 -1.788 1.00 . A A . 17 PHE HB2 1 1 2 566 1 1 17 PHE HB3 H 14.063 -5.382 -0.241 1.00 . A A . 17 PHE HB3 1 1 2 567 1 1 17 PHE HD1 H 13.303 -4.416 -3.784 1.00 . A A . 17 PHE HD1 1 1 2 568 1 1 17 PHE HD2 H 11.955 -6.358 -0.201 1.00 . A A . 17 PHE HD2 1 1 2 569 1 1 17 PHE HE1 H 11.227 -5.088 -4.932 1.00 . A A . 17 PHE HE1 1 1 2 570 1 1 17 PHE HE2 H 9.879 -7.043 -1.355 1.00 . A A . 17 PHE HE2 1 1 2 571 1 1 17 PHE HZ H 9.525 -6.438 -3.744 1.00 . A A . 17 PHE HZ 1 1 2 572 1 1 17 PHE N N 12.843 -3.067 -0.309 1.00 . A A . 17 PHE N 1 1 2 573 1 1 17 PHE O O 14.953 -3.025 -3.247 1.00 . A A . 17 PHE O 1 1 2 574 1 1 18 NH2 HN1 H 12.638 -1.476 -1.995 1.00 . A A . 18 NH2 HN1 1 1 2 575 1 1 18 NH2 HN2 H 13.330 -1.288 -3.532 1.00 . A A . 18 NH2 HN2 1 1 2 576 1 1 18 NH2 N N 13.297 -1.745 -2.667 1.00 . A A . 18 NH2 N 1 1 3 577 1 1 1 MET C C -4.963 -3.893 -7.370 1.00 . A A . 1 MET C 1 1 3 578 1 1 1 MET CA C -4.946 -3.948 -8.903 1.00 . A A . 1 MET CA 1 1 3 579 1 1 1 MET CB C -5.089 -5.395 -9.388 1.00 . A A . 1 MET CB 1 1 3 580 1 1 1 MET CE C -6.033 -8.099 -7.954 1.00 . A A . 1 MET CE 1 1 3 581 1 1 1 MET CG C -6.562 -5.817 -9.343 1.00 . A A . 1 MET CG 1 1 3 582 1 1 1 MET H1 H -3.705 -2.479 -9.708 1.00 . A A . 1 MET H1 1 1 3 583 1 1 1 MET H2 H -3.308 -4.051 -10.210 1.00 . A A . 1 MET H2 1 1 3 584 1 1 1 MET H3 H -2.921 -3.532 -8.641 1.00 . A A . 1 MET H3 1 1 3 585 1 1 1 MET HA H -5.738 -3.342 -9.310 1.00 . A A . 1 MET HA 1 1 3 586 1 1 1 MET HB2 H -4.725 -5.473 -10.402 1.00 . A A . 1 MET HB2 1 1 3 587 1 1 1 MET HB3 H -4.510 -6.043 -8.747 1.00 . A A . 1 MET HB3 1 1 3 588 1 1 1 MET HE1 H -5.736 -8.192 -8.989 1.00 . A A . 1 MET HE1 1 1 3 589 1 1 1 MET HE2 H -6.668 -8.934 -7.679 1.00 . A A . 1 MET HE2 1 1 3 590 1 1 1 MET HE3 H -5.152 -8.102 -7.330 1.00 . A A . 1 MET HE3 1 1 3 591 1 1 1 MET HG2 H -7.189 -4.955 -9.505 1.00 . A A . 1 MET HG2 1 1 3 592 1 1 1 MET HG3 H -6.749 -6.547 -10.119 1.00 . A A . 1 MET HG3 1 1 3 593 1 1 1 MET N N -3.622 -3.471 -9.406 1.00 . A A . 1 MET N 1 1 3 594 1 1 1 MET O O -3.981 -4.207 -6.721 1.00 . A A . 1 MET O 1 1 3 595 1 1 1 MET SD S -6.940 -6.544 -7.725 1.00 . A A . 1 MET SD 1 1 3 596 1 1 2 ALA C C -7.422 -3.982 -4.745 1.00 . A A . 2 ALA C 1 1 3 597 1 1 2 ALA CA C -6.118 -3.406 -5.289 1.00 . A A . 2 ALA CA 1 1 3 598 1 1 2 ALA CB C -6.049 -1.909 -4.979 1.00 . A A . 2 ALA CB 1 1 3 599 1 1 2 ALA H H -6.842 -3.237 -7.320 1.00 . A A . 2 ALA H 1 1 3 600 1 1 2 ALA HA H -5.275 -3.908 -4.849 1.00 . A A . 2 ALA HA 1 1 3 601 1 1 2 ALA HB1 H -5.692 -1.768 -3.971 1.00 . A A . 2 ALA HB1 1 1 3 602 1 1 2 ALA HB2 H -7.034 -1.474 -5.076 1.00 . A A . 2 ALA HB2 1 1 3 603 1 1 2 ALA HB3 H -5.373 -1.429 -5.668 1.00 . A A . 2 ALA HB3 1 1 3 604 1 1 2 ALA N N -6.062 -3.490 -6.782 1.00 . A A . 2 ALA N 1 1 3 605 1 1 2 ALA O O -8.496 -3.492 -5.037 1.00 . A A . 2 ALA O 1 1 3 606 1 1 3 THR C C -9.112 -4.537 -2.314 1.00 . A A . 3 THR C 1 1 3 607 1 1 3 THR CA C -8.573 -5.559 -3.321 1.00 . A A . 3 THR CA 1 1 3 608 1 1 3 THR CB C -8.122 -6.849 -2.627 1.00 . A A . 3 THR CB 1 1 3 609 1 1 3 THR CG2 C -8.129 -8.009 -3.629 1.00 . A A . 3 THR CG2 1 1 3 610 1 1 3 THR H H -6.462 -5.351 -3.665 1.00 . A A . 3 THR H 1 1 3 611 1 1 3 THR HA H -9.307 -5.771 -4.086 1.00 . A A . 3 THR HA 1 1 3 612 1 1 3 THR HB H -8.801 -7.073 -1.819 1.00 . A A . 3 THR HB 1 1 3 613 1 1 3 THR HG1 H -6.762 -7.115 -1.248 1.00 . A A . 3 THR HG1 1 1 3 614 1 1 3 THR HG21 H -7.550 -8.830 -3.231 1.00 . A A . 3 THR HG21 1 1 3 615 1 1 3 THR HG22 H -7.703 -7.682 -4.567 1.00 . A A . 3 THR HG22 1 1 3 616 1 1 3 THR HG23 H -9.143 -8.337 -3.792 1.00 . A A . 3 THR HG23 1 1 3 617 1 1 3 THR N N -7.338 -4.989 -3.920 1.00 . A A . 3 THR N 1 1 3 618 1 1 3 THR O O -10.258 -4.126 -2.363 1.00 . A A . 3 THR O 1 1 3 619 1 1 3 THR OG1 O -6.800 -6.676 -2.106 1.00 . A A . 3 THR OG1 1 1 3 620 1 1 4 LEU C C -7.416 -2.192 -0.144 1.00 . A A . 4 LEU C 1 1 3 621 1 1 4 LEU CA C -8.645 -3.068 -0.426 1.00 . A A . 4 LEU CA 1 1 3 622 1 1 4 LEU CB C -9.094 -3.843 0.818 1.00 . A A . 4 LEU CB 1 1 3 623 1 1 4 LEU CD1 C -11.567 -3.568 1.076 1.00 . A A . 4 LEU CD1 1 1 3 624 1 1 4 LEU CD2 C -10.074 -3.288 3.044 1.00 . A A . 4 LEU CD2 1 1 3 625 1 1 4 LEU CG C -10.199 -3.067 1.540 1.00 . A A . 4 LEU CG 1 1 3 626 1 1 4 LEU H H -7.337 -4.431 -1.437 1.00 . A A . 4 LEU H 1 1 3 627 1 1 4 LEU HA H -9.458 -2.468 -0.809 1.00 . A A . 4 LEU HA 1 1 3 628 1 1 4 LEU HB2 H -9.472 -4.810 0.518 1.00 . A A . 4 LEU HB2 1 1 3 629 1 1 4 LEU HB3 H -8.257 -3.976 1.482 1.00 . A A . 4 LEU HB3 1 1 3 630 1 1 4 LEU HD11 H -11.616 -4.640 1.197 1.00 . A A . 4 LEU HD11 1 1 3 631 1 1 4 LEU HD12 H -11.713 -3.314 0.036 1.00 . A A . 4 LEU HD12 1 1 3 632 1 1 4 LEU HD13 H -12.339 -3.103 1.673 1.00 . A A . 4 LEU HD13 1 1 3 633 1 1 4 LEU HD21 H -10.715 -2.592 3.564 1.00 . A A . 4 LEU HD21 1 1 3 634 1 1 4 LEU HD22 H -9.051 -3.131 3.349 1.00 . A A . 4 LEU HD22 1 1 3 635 1 1 4 LEU HD23 H -10.369 -4.297 3.281 1.00 . A A . 4 LEU HD23 1 1 3 636 1 1 4 LEU HG H -10.104 -2.015 1.319 1.00 . A A . 4 LEU HG 1 1 3 637 1 1 4 LEU N N -8.259 -4.098 -1.425 1.00 . A A . 4 LEU N 1 1 3 638 1 1 4 LEU O O -7.322 -1.081 -0.627 1.00 . A A . 4 LEU O 1 1 3 639 1 1 5 GLU C C -3.964 -2.754 0.705 1.00 . A A . 5 GLU C 1 1 3 640 1 1 5 GLU CA C -5.232 -1.898 0.922 1.00 . A A . 5 GLU CA 1 1 3 641 1 1 5 GLU CB C -5.390 -1.504 2.398 1.00 . A A . 5 GLU CB 1 1 3 642 1 1 5 GLU CD C -6.092 -3.678 3.456 1.00 . A A . 5 GLU CD 1 1 3 643 1 1 5 GLU CG C -4.966 -2.657 3.324 1.00 . A A . 5 GLU CG 1 1 3 644 1 1 5 GLU H H -6.566 -3.587 0.989 1.00 . A A . 5 GLU H 1 1 3 645 1 1 5 GLU HA H -5.191 -1.012 0.311 1.00 . A A . 5 GLU HA 1 1 3 646 1 1 5 GLU HB2 H -4.770 -0.643 2.601 1.00 . A A . 5 GLU HB2 1 1 3 647 1 1 5 GLU HB3 H -6.423 -1.252 2.592 1.00 . A A . 5 GLU HB3 1 1 3 648 1 1 5 GLU HG2 H -4.092 -3.142 2.920 1.00 . A A . 5 GLU HG2 1 1 3 649 1 1 5 GLU HG3 H -4.738 -2.258 4.297 1.00 . A A . 5 GLU HG3 1 1 3 650 1 1 5 GLU N N -6.469 -2.687 0.616 1.00 . A A . 5 GLU N 1 1 3 651 1 1 5 GLU O O -2.893 -2.233 0.472 1.00 . A A . 5 GLU O 1 1 3 652 1 1 5 GLU OE1 O -6.196 -4.532 2.592 1.00 . A A . 5 GLU OE1 1 1 3 653 1 1 5 GLU OE2 O -6.820 -3.603 4.426 1.00 . A A . 5 GLU OE2 1 1 3 654 1 1 6 LYS C C -1.894 -4.530 -0.357 1.00 . A A . 6 LYS C 1 1 3 655 1 1 6 LYS CA C -2.940 -5.004 0.646 1.00 . A A . 6 LYS CA 1 1 3 656 1 1 6 LYS CB C -3.581 -6.305 0.153 1.00 . A A . 6 LYS CB 1 1 3 657 1 1 6 LYS CD C -2.830 -7.935 1.907 1.00 . A A . 6 LYS CD 1 1 3 658 1 1 6 LYS CE C -3.196 -9.421 2.070 1.00 . A A . 6 LYS CE 1 1 3 659 1 1 6 LYS CG C -4.024 -7.162 1.340 1.00 . A A . 6 LYS CG 1 1 3 660 1 1 6 LYS H H -4.964 -4.434 1.020 1.00 . A A . 6 LYS H 1 1 3 661 1 1 6 LYS HA H -2.469 -5.162 1.591 1.00 . A A . 6 LYS HA 1 1 3 662 1 1 6 LYS HB2 H -4.439 -6.070 -0.459 1.00 . A A . 6 LYS HB2 1 1 3 663 1 1 6 LYS HB3 H -2.867 -6.848 -0.441 1.00 . A A . 6 LYS HB3 1 1 3 664 1 1 6 LYS HD2 H -1.990 -7.843 1.231 1.00 . A A . 6 LYS HD2 1 1 3 665 1 1 6 LYS HD3 H -2.561 -7.522 2.867 1.00 . A A . 6 LYS HD3 1 1 3 666 1 1 6 LYS HE2 H -3.439 -9.850 1.108 1.00 . A A . 6 LYS HE2 1 1 3 667 1 1 6 LYS HE3 H -2.379 -9.962 2.524 1.00 . A A . 6 LYS HE3 1 1 3 668 1 1 6 LYS HG2 H -4.434 -6.526 2.110 1.00 . A A . 6 LYS HG2 1 1 3 669 1 1 6 LYS HG3 H -4.780 -7.862 1.015 1.00 . A A . 6 LYS HG3 1 1 3 670 1 1 6 LYS HZ1 H -4.480 -10.397 3.390 1.00 . A A . 6 LYS HZ1 1 1 3 671 1 1 6 LYS HZ2 H -5.246 -9.246 2.422 1.00 . A A . 6 LYS HZ2 1 1 3 672 1 1 6 LYS HZ3 H -4.279 -8.747 3.723 1.00 . A A . 6 LYS HZ3 1 1 3 673 1 1 6 LYS N N -4.092 -4.060 0.806 1.00 . A A . 6 LYS N 1 1 3 674 1 1 6 LYS NZ N -4.389 -9.453 2.969 1.00 . A A . 6 LYS NZ 1 1 3 675 1 1 6 LYS O O -0.724 -4.446 -0.029 1.00 . A A . 6 LYS O 1 1 3 676 1 1 7 LEU C C -0.339 -2.729 -1.999 1.00 . A A . 7 LEU C 1 1 3 677 1 1 7 LEU CA C -1.276 -3.799 -2.590 1.00 . A A . 7 LEU CA 1 1 3 678 1 1 7 LEU CB C -2.092 -3.246 -3.778 1.00 . A A . 7 LEU CB 1 1 3 679 1 1 7 LEU CD1 C -0.728 -1.251 -4.486 1.00 . A A . 7 LEU CD1 1 1 3 680 1 1 7 LEU CD2 C -3.213 -1.193 -4.645 1.00 . A A . 7 LEU CD2 1 1 3 681 1 1 7 LEU CG C -2.033 -1.709 -3.828 1.00 . A A . 7 LEU CG 1 1 3 682 1 1 7 LEU H H -3.226 -4.347 -1.819 1.00 . A A . 7 LEU H 1 1 3 683 1 1 7 LEU HA H -0.697 -4.646 -2.919 1.00 . A A . 7 LEU HA 1 1 3 684 1 1 7 LEU HB2 H -1.689 -3.648 -4.694 1.00 . A A . 7 LEU HB2 1 1 3 685 1 1 7 LEU HB3 H -3.122 -3.557 -3.679 1.00 . A A . 7 LEU HB3 1 1 3 686 1 1 7 LEU HD11 H -0.227 -2.099 -4.924 1.00 . A A . 7 LEU HD11 1 1 3 687 1 1 7 LEU HD12 H -0.089 -0.806 -3.737 1.00 . A A . 7 LEU HD12 1 1 3 688 1 1 7 LEU HD13 H -0.942 -0.520 -5.253 1.00 . A A . 7 LEU HD13 1 1 3 689 1 1 7 LEU HD21 H -2.921 -0.306 -5.187 1.00 . A A . 7 LEU HD21 1 1 3 690 1 1 7 LEU HD22 H -4.028 -0.957 -3.981 1.00 . A A . 7 LEU HD22 1 1 3 691 1 1 7 LEU HD23 H -3.529 -1.955 -5.341 1.00 . A A . 7 LEU HD23 1 1 3 692 1 1 7 LEU HG H -2.090 -1.313 -2.822 1.00 . A A . 7 LEU HG 1 1 3 693 1 1 7 LEU N N -2.283 -4.247 -1.573 1.00 . A A . 7 LEU N 1 1 3 694 1 1 7 LEU O O 0.762 -2.533 -2.485 1.00 . A A . 7 LEU O 1 1 3 695 1 1 8 MET C C 1.177 -1.660 0.532 1.00 . A A . 8 MET C 1 1 3 696 1 1 8 MET CA C 0.118 -1.006 -0.350 1.00 . A A . 8 MET CA 1 1 3 697 1 1 8 MET CB C -0.814 -0.121 0.476 1.00 . A A . 8 MET CB 1 1 3 698 1 1 8 MET CE C -0.191 2.878 -0.443 1.00 . A A . 8 MET CE 1 1 3 699 1 1 8 MET CG C -1.752 0.657 -0.451 1.00 . A A . 8 MET CG 1 1 3 700 1 1 8 MET H H -1.639 -2.242 -0.560 1.00 . A A . 8 MET H 1 1 3 701 1 1 8 MET HA H 0.591 -0.424 -1.130 1.00 . A A . 8 MET HA 1 1 3 702 1 1 8 MET HB2 H -1.399 -0.741 1.143 1.00 . A A . 8 MET HB2 1 1 3 703 1 1 8 MET HB3 H -0.227 0.573 1.058 1.00 . A A . 8 MET HB3 1 1 3 704 1 1 8 MET HE1 H 0.817 3.169 -0.704 1.00 . A A . 8 MET HE1 1 1 3 705 1 1 8 MET HE2 H -0.205 2.463 0.554 1.00 . A A . 8 MET HE2 1 1 3 706 1 1 8 MET HE3 H -0.831 3.746 -0.475 1.00 . A A . 8 MET HE3 1 1 3 707 1 1 8 MET HG2 H -2.374 -0.039 -0.996 1.00 . A A . 8 MET HG2 1 1 3 708 1 1 8 MET HG3 H -2.379 1.309 0.138 1.00 . A A . 8 MET HG3 1 1 3 709 1 1 8 MET N N -0.754 -2.050 -0.956 1.00 . A A . 8 MET N 1 1 3 710 1 1 8 MET O O 2.356 -1.477 0.313 1.00 . A A . 8 MET O 1 1 3 711 1 1 8 MET SD S -0.786 1.642 -1.621 1.00 . A A . 8 MET SD 1 1 3 712 1 1 9 LYS C C 2.603 -4.061 1.488 1.00 . A A . 9 LYS C 1 1 3 713 1 1 9 LYS CA C 1.801 -3.111 2.367 1.00 . A A . 9 LYS CA 1 1 3 714 1 1 9 LYS CB C 1.022 -3.853 3.454 1.00 . A A . 9 LYS CB 1 1 3 715 1 1 9 LYS CD C 1.414 -2.693 5.653 1.00 . A A . 9 LYS CD 1 1 3 716 1 1 9 LYS CE C 1.769 -1.348 5.000 1.00 . A A . 9 LYS CE 1 1 3 717 1 1 9 LYS CG C 1.842 -3.861 4.751 1.00 . A A . 9 LYS CG 1 1 3 718 1 1 9 LYS H H -0.172 -2.599 1.668 1.00 . A A . 9 LYS H 1 1 3 719 1 1 9 LYS HA H 2.455 -2.379 2.800 1.00 . A A . 9 LYS HA 1 1 3 720 1 1 9 LYS HB2 H 0.077 -3.358 3.622 1.00 . A A . 9 LYS HB2 1 1 3 721 1 1 9 LYS HB3 H 0.842 -4.867 3.134 1.00 . A A . 9 LYS HB3 1 1 3 722 1 1 9 LYS HD2 H 0.348 -2.741 5.813 1.00 . A A . 9 LYS HD2 1 1 3 723 1 1 9 LYS HD3 H 1.920 -2.770 6.605 1.00 . A A . 9 LYS HD3 1 1 3 724 1 1 9 LYS HE2 H 1.445 -1.342 3.970 1.00 . A A . 9 LYS HE2 1 1 3 725 1 1 9 LYS HE3 H 1.307 -0.534 5.540 1.00 . A A . 9 LYS HE3 1 1 3 726 1 1 9 LYS HG2 H 1.678 -4.793 5.273 1.00 . A A . 9 LYS HG2 1 1 3 727 1 1 9 LYS HG3 H 2.891 -3.765 4.512 1.00 . A A . 9 LYS HG3 1 1 3 728 1 1 9 LYS HZ1 H 3.566 -1.338 6.068 1.00 . A A . 9 LYS HZ1 1 1 3 729 1 1 9 LYS HZ2 H 3.547 -0.298 4.723 1.00 . A A . 9 LYS HZ2 1 1 3 730 1 1 9 LYS HZ3 H 3.696 -1.977 4.500 1.00 . A A . 9 LYS HZ3 1 1 3 731 1 1 9 LYS N N 0.781 -2.439 1.515 1.00 . A A . 9 LYS N 1 1 3 732 1 1 9 LYS NZ N 3.256 -1.237 5.081 1.00 . A A . 9 LYS NZ 1 1 3 733 1 1 9 LYS O O 3.802 -4.192 1.639 1.00 . A A . 9 LYS O 1 1 3 734 1 1 10 ALA C C 3.758 -4.762 -1.046 1.00 . A A . 10 ALA C 1 1 3 735 1 1 10 ALA CA C 2.651 -5.556 -0.446 1.00 . A A . 10 ALA CA 1 1 3 736 1 1 10 ALA CB C 1.661 -5.758 -1.592 1.00 . A A . 10 ALA CB 1 1 3 737 1 1 10 ALA H H 0.987 -4.490 0.423 1.00 . A A . 10 ALA H 1 1 3 738 1 1 10 ALA HA H 2.990 -6.488 -0.017 1.00 . A A . 10 ALA HA 1 1 3 739 1 1 10 ALA HB1 H 2.139 -5.452 -2.523 1.00 . A A . 10 ALA HB1 1 1 3 740 1 1 10 ALA HB2 H 0.798 -5.133 -1.431 1.00 . A A . 10 ALA HB2 1 1 3 741 1 1 10 ALA HB3 H 1.377 -6.779 -1.659 1.00 . A A . 10 ALA HB3 1 1 3 742 1 1 10 ALA N N 1.946 -4.668 0.531 1.00 . A A . 10 ALA N 1 1 3 743 1 1 10 ALA O O 4.927 -5.079 -0.977 1.00 . A A . 10 ALA O 1 1 3 744 1 1 11 PHE C C 5.259 -2.281 -1.361 1.00 . A A . 11 PHE C 1 1 3 745 1 1 11 PHE CA C 4.261 -2.828 -2.329 1.00 . A A . 11 PHE CA 1 1 3 746 1 1 11 PHE CB C 3.431 -1.686 -2.819 1.00 . A A . 11 PHE CB 1 1 3 747 1 1 11 PHE CD1 C 4.641 -1.045 -4.857 1.00 . A A . 11 PHE CD1 1 1 3 748 1 1 11 PHE CD2 C 4.984 0.237 -2.840 1.00 . A A . 11 PHE CD2 1 1 3 749 1 1 11 PHE CE1 C 5.542 -0.223 -5.549 1.00 . A A . 11 PHE CE1 1 1 3 750 1 1 11 PHE CE2 C 5.882 1.076 -3.517 1.00 . A A . 11 PHE CE2 1 1 3 751 1 1 11 PHE CG C 4.374 -0.802 -3.525 1.00 . A A . 11 PHE CG 1 1 3 752 1 1 11 PHE CZ C 6.160 0.848 -4.876 1.00 . A A . 11 PHE CZ 1 1 3 753 1 1 11 PHE H H 2.373 -3.521 -1.700 1.00 . A A . 11 PHE H 1 1 3 754 1 1 11 PHE HA H 4.742 -3.313 -3.151 1.00 . A A . 11 PHE HA 1 1 3 755 1 1 11 PHE HB2 H 2.657 -2.037 -3.480 1.00 . A A . 11 PHE HB2 1 1 3 756 1 1 11 PHE HB3 H 2.991 -1.158 -1.986 1.00 . A A . 11 PHE HB3 1 1 3 757 1 1 11 PHE HD1 H 4.171 -1.900 -5.337 1.00 . A A . 11 PHE HD1 1 1 3 758 1 1 11 PHE HD2 H 4.771 0.372 -1.771 1.00 . A A . 11 PHE HD2 1 1 3 759 1 1 11 PHE HE1 H 5.753 -0.403 -6.592 1.00 . A A . 11 PHE HE1 1 1 3 760 1 1 11 PHE HE2 H 6.364 1.890 -2.994 1.00 . A A . 11 PHE HE2 1 1 3 761 1 1 11 PHE HZ H 6.853 1.494 -5.401 1.00 . A A . 11 PHE HZ 1 1 3 762 1 1 11 PHE N N 3.338 -3.714 -1.665 1.00 . A A . 11 PHE N 1 1 3 763 1 1 11 PHE O O 6.434 -2.378 -1.570 1.00 . A A . 11 PHE O 1 1 3 764 1 1 12 GLU C C 6.784 -2.143 1.005 1.00 . A A . 12 GLU C 1 1 3 765 1 1 12 GLU CA C 5.746 -1.071 0.623 1.00 . A A . 12 GLU CA 1 1 3 766 1 1 12 GLU CB C 4.910 -0.649 1.833 1.00 . A A . 12 GLU CB 1 1 3 767 1 1 12 GLU CD C 4.657 1.534 3.003 1.00 . A A . 12 GLU CD 1 1 3 768 1 1 12 GLU CG C 4.463 0.806 1.679 1.00 . A A . 12 GLU CG 1 1 3 769 1 1 12 GLU H H 3.825 -1.570 -0.202 1.00 . A A . 12 GLU H 1 1 3 770 1 1 12 GLU HA H 6.206 -0.216 0.139 1.00 . A A . 12 GLU HA 1 1 3 771 1 1 12 GLU HB2 H 4.040 -1.284 1.902 1.00 . A A . 12 GLU HB2 1 1 3 772 1 1 12 GLU HB3 H 5.498 -0.751 2.728 1.00 . A A . 12 GLU HB3 1 1 3 773 1 1 12 GLU HG2 H 5.049 1.288 0.908 1.00 . A A . 12 GLU HG2 1 1 3 774 1 1 12 GLU HG3 H 3.417 0.833 1.404 1.00 . A A . 12 GLU HG3 1 1 3 775 1 1 12 GLU N N 4.796 -1.663 -0.329 1.00 . A A . 12 GLU N 1 1 3 776 1 1 12 GLU O O 7.974 -1.898 1.015 1.00 . A A . 12 GLU O 1 1 3 777 1 1 12 GLU OE1 O 4.081 1.104 3.991 1.00 . A A . 12 GLU OE1 1 1 3 778 1 1 12 GLU OE2 O 5.380 2.512 3.012 1.00 . A A . 12 GLU OE2 1 1 3 779 1 1 13 SER C C 8.233 -4.688 0.421 1.00 . A A . 13 SER C 1 1 3 780 1 1 13 SER CA C 7.251 -4.476 1.593 1.00 . A A . 13 SER CA 1 1 3 781 1 1 13 SER CB C 6.333 -5.697 1.781 1.00 . A A . 13 SER CB 1 1 3 782 1 1 13 SER H H 5.353 -3.511 1.224 1.00 . A A . 13 SER H 1 1 3 783 1 1 13 SER HA H 7.791 -4.271 2.497 1.00 . A A . 13 SER HA 1 1 3 784 1 1 13 SER HB2 H 5.657 -5.777 0.938 1.00 . A A . 13 SER HB2 1 1 3 785 1 1 13 SER HB3 H 6.925 -6.599 1.848 1.00 . A A . 13 SER HB3 1 1 3 786 1 1 13 SER HG H 4.701 -5.181 2.711 1.00 . A A . 13 SER HG 1 1 3 787 1 1 13 SER N N 6.322 -3.346 1.269 1.00 . A A . 13 SER N 1 1 3 788 1 1 13 SER O O 9.320 -5.207 0.585 1.00 . A A . 13 SER O 1 1 3 789 1 1 13 SER OG O 5.569 -5.522 2.973 1.00 . A A . 13 SER OG 1 1 3 790 1 1 14 LEU C C 9.464 -3.015 -2.096 1.00 . A A . 14 LEU C 1 1 3 791 1 1 14 LEU CA C 8.717 -4.343 -1.963 1.00 . A A . 14 LEU CA 1 1 3 792 1 1 14 LEU CB C 7.697 -4.651 -3.100 1.00 . A A . 14 LEU CB 1 1 3 793 1 1 14 LEU CD1 C 7.810 -2.467 -4.329 1.00 . A A . 14 LEU CD1 1 1 3 794 1 1 14 LEU CD2 C 9.444 -4.264 -4.895 1.00 . A A . 14 LEU CD2 1 1 3 795 1 1 14 LEU CG C 8.014 -3.970 -4.446 1.00 . A A . 14 LEU CG 1 1 3 796 1 1 14 LEU H H 6.977 -3.809 -0.831 1.00 . A A . 14 LEU H 1 1 3 797 1 1 14 LEU HA H 9.425 -5.137 -1.849 1.00 . A A . 14 LEU HA 1 1 3 798 1 1 14 LEU HB2 H 7.666 -5.714 -3.256 1.00 . A A . 14 LEU HB2 1 1 3 799 1 1 14 LEU HB3 H 6.717 -4.323 -2.773 1.00 . A A . 14 LEU HB3 1 1 3 800 1 1 14 LEU HD11 H 7.370 -2.093 -5.240 1.00 . A A . 14 LEU HD11 1 1 3 801 1 1 14 LEU HD12 H 8.762 -1.989 -4.159 1.00 . A A . 14 LEU HD12 1 1 3 802 1 1 14 LEU HD13 H 7.149 -2.262 -3.498 1.00 . A A . 14 LEU HD13 1 1 3 803 1 1 14 LEU HD21 H 10.140 -3.867 -4.175 1.00 . A A . 14 LEU HD21 1 1 3 804 1 1 14 LEU HD22 H 9.618 -3.797 -5.855 1.00 . A A . 14 LEU HD22 1 1 3 805 1 1 14 LEU HD23 H 9.582 -5.334 -4.984 1.00 . A A . 14 LEU HD23 1 1 3 806 1 1 14 LEU HG H 7.328 -4.351 -5.193 1.00 . A A . 14 LEU HG 1 1 3 807 1 1 14 LEU N N 7.850 -4.244 -0.749 1.00 . A A . 14 LEU N 1 1 3 808 1 1 14 LEU O O 10.648 -2.975 -2.364 1.00 . A A . 14 LEU O 1 1 3 809 1 1 15 LYS C C 10.646 -0.722 -0.904 1.00 . A A . 15 LYS C 1 1 3 810 1 1 15 LYS CA C 9.423 -0.602 -1.803 1.00 . A A . 15 LYS CA 1 1 3 811 1 1 15 LYS CB C 8.314 0.248 -1.166 1.00 . A A . 15 LYS CB 1 1 3 812 1 1 15 LYS CD C 8.095 2.313 0.228 1.00 . A A . 15 LYS CD 1 1 3 813 1 1 15 LYS CE C 8.623 3.059 1.461 1.00 . A A . 15 LYS CE 1 1 3 814 1 1 15 LYS CG C 8.812 0.965 0.083 1.00 . A A . 15 LYS CG 1 1 3 815 1 1 15 LYS H H 7.862 -2.013 -1.527 1.00 . A A . 15 LYS H 1 1 3 816 1 1 15 LYS HA H 9.670 -0.259 -2.795 1.00 . A A . 15 LYS HA 1 1 3 817 1 1 15 LYS HB2 H 7.970 0.949 -1.867 1.00 . A A . 15 LYS HB2 1 1 3 818 1 1 15 LYS HB3 H 7.494 -0.399 -0.891 1.00 . A A . 15 LYS HB3 1 1 3 819 1 1 15 LYS HD2 H 8.277 2.909 -0.654 1.00 . A A . 15 LYS HD2 1 1 3 820 1 1 15 LYS HD3 H 7.033 2.149 0.337 1.00 . A A . 15 LYS HD3 1 1 3 821 1 1 15 LYS HE2 H 9.698 2.952 1.533 1.00 . A A . 15 LYS HE2 1 1 3 822 1 1 15 LYS HE3 H 8.354 4.102 1.410 1.00 . A A . 15 LYS HE3 1 1 3 823 1 1 15 LYS HG2 H 8.608 0.345 0.947 1.00 . A A . 15 LYS HG2 1 1 3 824 1 1 15 LYS HG3 H 9.869 1.127 -0.003 1.00 . A A . 15 LYS HG3 1 1 3 825 1 1 15 LYS HZ1 H 6.938 2.658 2.629 1.00 . A A . 15 LYS HZ1 1 1 3 826 1 1 15 LYS HZ2 H 8.382 2.773 3.500 1.00 . A A . 15 LYS HZ2 1 1 3 827 1 1 15 LYS HZ3 H 8.073 1.390 2.573 1.00 . A A . 15 LYS HZ3 1 1 3 828 1 1 15 LYS N N 8.790 -1.937 -1.812 1.00 . A A . 15 LYS N 1 1 3 829 1 1 15 LYS NZ N 7.955 2.421 2.627 1.00 . A A . 15 LYS NZ 1 1 3 830 1 1 15 LYS O O 11.734 -0.261 -1.199 1.00 . A A . 15 LYS O 1 1 3 831 1 1 16 SER C C 12.828 -1.902 0.584 1.00 . A A . 16 SER C 1 1 3 832 1 1 16 SER CA C 11.452 -1.660 1.213 1.00 . A A . 16 SER CA 1 1 3 833 1 1 16 SER CB C 10.948 -2.954 1.864 1.00 . A A . 16 SER CB 1 1 3 834 1 1 16 SER H H 9.496 -1.705 0.338 1.00 . A A . 16 SER H 1 1 3 835 1 1 16 SER HA H 11.499 -0.878 1.938 1.00 . A A . 16 SER HA 1 1 3 836 1 1 16 SER HB2 H 10.421 -3.541 1.127 1.00 . A A . 16 SER HB2 1 1 3 837 1 1 16 SER HB3 H 11.788 -3.530 2.230 1.00 . A A . 16 SER HB3 1 1 3 838 1 1 16 SER HG H 9.405 -3.345 2.998 1.00 . A A . 16 SER HG 1 1 3 839 1 1 16 SER N N 10.414 -1.377 0.190 1.00 . A A . 16 SER N 1 1 3 840 1 1 16 SER O O 13.795 -1.220 0.889 1.00 . A A . 16 SER O 1 1 3 841 1 1 16 SER OG O 10.059 -2.635 2.933 1.00 . A A . 16 SER OG 1 1 3 842 1 1 17 PHE C C 14.330 -2.566 -2.297 1.00 . A A . 17 PHE C 1 1 3 843 1 1 17 PHE CA C 14.224 -3.209 -0.908 1.00 . A A . 17 PHE CA 1 1 3 844 1 1 17 PHE CB C 14.237 -4.745 -0.987 1.00 . A A . 17 PHE CB 1 1 3 845 1 1 17 PHE CD1 C 12.836 -5.058 -3.054 1.00 . A A . 17 PHE CD1 1 1 3 846 1 1 17 PHE CD2 C 12.068 -5.992 -0.959 1.00 . A A . 17 PHE CD2 1 1 3 847 1 1 17 PHE CE1 C 11.702 -5.565 -3.690 1.00 . A A . 17 PHE CE1 1 1 3 848 1 1 17 PHE CE2 C 10.938 -6.496 -1.587 1.00 . A A . 17 PHE CE2 1 1 3 849 1 1 17 PHE CG C 13.014 -5.274 -1.688 1.00 . A A . 17 PHE CG 1 1 3 850 1 1 17 PHE CZ C 10.751 -6.285 -2.959 1.00 . A A . 17 PHE CZ 1 1 3 851 1 1 17 PHE H H 12.133 -3.411 -0.476 1.00 . A A . 17 PHE H 1 1 3 852 1 1 17 PHE HA H 15.040 -2.876 -0.284 1.00 . A A . 17 PHE HA 1 1 3 853 1 1 17 PHE HB2 H 15.102 -5.064 -1.523 1.00 . A A . 17 PHE HB2 1 1 3 854 1 1 17 PHE HB3 H 14.263 -5.149 0.012 1.00 . A A . 17 PHE HB3 1 1 3 855 1 1 17 PHE HD1 H 13.574 -4.502 -3.616 1.00 . A A . 17 PHE HD1 1 1 3 856 1 1 17 PHE HD2 H 12.212 -6.154 0.098 1.00 . A A . 17 PHE HD2 1 1 3 857 1 1 17 PHE HE1 H 11.547 -5.385 -4.739 1.00 . A A . 17 PHE HE1 1 1 3 858 1 1 17 PHE HE2 H 10.195 -7.031 -1.008 1.00 . A A . 17 PHE HE2 1 1 3 859 1 1 17 PHE HZ H 9.871 -6.678 -3.451 1.00 . A A . 17 PHE HZ 1 1 3 860 1 1 17 PHE N N 12.922 -2.879 -0.267 1.00 . A A . 17 PHE N 1 1 3 861 1 1 17 PHE O O 13.543 -1.713 -2.653 1.00 . A A . 17 PHE O 1 1 3 862 1 1 18 NH2 HN1 H 15.925 -3.621 -2.829 1.00 . A A . 18 NH2 HN1 1 1 3 863 1 1 18 NH2 HN2 H 15.368 -2.515 -3.987 1.00 . A A . 18 NH2 HN2 1 1 3 864 1 1 18 NH2 N N 15.289 -2.930 -3.102 1.00 . A A . 18 NH2 N 1 1 4 865 1 1 1 MET C C -10.170 2.265 -2.292 1.00 . A A . 1 MET C 1 1 4 866 1 1 1 MET CA C -10.866 2.972 -3.457 1.00 . A A . 1 MET CA 1 1 4 867 1 1 1 MET CB C -10.568 2.241 -4.768 1.00 . A A . 1 MET CB 1 1 4 868 1 1 1 MET CE C -13.467 0.870 -7.308 1.00 . A A . 1 MET CE 1 1 4 869 1 1 1 MET CG C -11.807 2.255 -5.665 1.00 . A A . 1 MET CG 1 1 4 870 1 1 1 MET H1 H -9.281 4.286 -3.779 1.00 . A A . 1 MET H1 1 1 4 871 1 1 1 MET H2 H -10.499 4.902 -2.775 1.00 . A A . 1 MET H2 1 1 4 872 1 1 1 MET H3 H -10.748 4.797 -4.453 1.00 . A A . 1 MET H3 1 1 4 873 1 1 1 MET HA H -11.931 3.017 -3.290 1.00 . A A . 1 MET HA 1 1 4 874 1 1 1 MET HB2 H -9.750 2.733 -5.273 1.00 . A A . 1 MET HB2 1 1 4 875 1 1 1 MET HB3 H -10.293 1.219 -4.552 1.00 . A A . 1 MET HB3 1 1 4 876 1 1 1 MET HE1 H -13.626 1.664 -8.024 1.00 . A A . 1 MET HE1 1 1 4 877 1 1 1 MET HE2 H -14.095 1.030 -6.442 1.00 . A A . 1 MET HE2 1 1 4 878 1 1 1 MET HE3 H -13.720 -0.075 -7.760 1.00 . A A . 1 MET HE3 1 1 4 879 1 1 1 MET HG2 H -12.698 2.179 -5.056 1.00 . A A . 1 MET HG2 1 1 4 880 1 1 1 MET HG3 H -11.833 3.173 -6.228 1.00 . A A . 1 MET HG3 1 1 4 881 1 1 1 MET N N -10.308 4.343 -3.631 1.00 . A A . 1 MET N 1 1 4 882 1 1 1 MET O O -9.136 2.702 -1.815 1.00 . A A . 1 MET O 1 1 4 883 1 1 1 MET SD S -11.729 0.853 -6.804 1.00 . A A . 1 MET SD 1 1 4 884 1 1 2 ALA C C -10.312 -1.086 -0.895 1.00 . A A . 2 ALA C 1 1 4 885 1 1 2 ALA CA C -10.099 0.421 -0.706 1.00 . A A . 2 ALA CA 1 1 4 886 1 1 2 ALA CB C -10.823 0.915 0.547 1.00 . A A . 2 ALA CB 1 1 4 887 1 1 2 ALA H H -11.554 0.840 -2.240 1.00 . A A . 2 ALA H 1 1 4 888 1 1 2 ALA HA H -9.046 0.648 -0.637 1.00 . A A . 2 ALA HA 1 1 4 889 1 1 2 ALA HB1 H -11.882 0.986 0.348 1.00 . A A . 2 ALA HB1 1 1 4 890 1 1 2 ALA HB2 H -10.442 1.886 0.826 1.00 . A A . 2 ALA HB2 1 1 4 891 1 1 2 ALA HB3 H -10.658 0.218 1.356 1.00 . A A . 2 ALA HB3 1 1 4 892 1 1 2 ALA N N -10.725 1.172 -1.835 1.00 . A A . 2 ALA N 1 1 4 893 1 1 2 ALA O O -10.615 -1.805 0.039 1.00 . A A . 2 ALA O 1 1 4 894 1 1 3 THR C C -8.979 -3.727 -2.312 1.00 . A A . 3 THR C 1 1 4 895 1 1 3 THR CA C -10.339 -3.026 -2.356 1.00 . A A . 3 THR CA 1 1 4 896 1 1 3 THR CB C -10.968 -3.106 -3.758 1.00 . A A . 3 THR CB 1 1 4 897 1 1 3 THR CG2 C -12.485 -3.265 -3.623 1.00 . A A . 3 THR CG2 1 1 4 898 1 1 3 THR H H -9.905 -0.976 -2.833 1.00 . A A . 3 THR H 1 1 4 899 1 1 3 THR HA H -11.004 -3.459 -1.625 1.00 . A A . 3 THR HA 1 1 4 900 1 1 3 THR HB H -10.568 -3.958 -4.284 1.00 . A A . 3 THR HB 1 1 4 901 1 1 3 THR HG1 H -11.397 -1.771 -5.125 1.00 . A A . 3 THR HG1 1 1 4 902 1 1 3 THR HG21 H -12.941 -2.295 -3.475 1.00 . A A . 3 THR HG21 1 1 4 903 1 1 3 THR HG22 H -12.709 -3.901 -2.777 1.00 . A A . 3 THR HG22 1 1 4 904 1 1 3 THR HG23 H -12.880 -3.713 -4.521 1.00 . A A . 3 THR HG23 1 1 4 905 1 1 3 THR N N -10.154 -1.569 -2.095 1.00 . A A . 3 THR N 1 1 4 906 1 1 3 THR O O -8.777 -4.657 -1.554 1.00 . A A . 3 THR O 1 1 4 907 1 1 3 THR OG1 O -10.682 -1.911 -4.489 1.00 . A A . 3 THR OG1 1 1 4 908 1 1 4 LEU C C -5.759 -3.203 -2.077 1.00 . A A . 4 LEU C 1 1 4 909 1 1 4 LEU CA C -6.683 -3.915 -3.075 1.00 . A A . 4 LEU CA 1 1 4 910 1 1 4 LEU CB C -6.127 -3.753 -4.490 1.00 . A A . 4 LEU CB 1 1 4 911 1 1 4 LEU CD1 C -6.431 -4.595 -6.824 1.00 . A A . 4 LEU CD1 1 1 4 912 1 1 4 LEU CD2 C -5.551 -6.121 -5.053 1.00 . A A . 4 LEU CD2 1 1 4 913 1 1 4 LEU CG C -6.513 -4.963 -5.343 1.00 . A A . 4 LEU CG 1 1 4 914 1 1 4 LEU H H -8.212 -2.514 -3.690 1.00 . A A . 4 LEU H 1 1 4 915 1 1 4 LEU HA H -6.769 -4.959 -2.831 1.00 . A A . 4 LEU HA 1 1 4 916 1 1 4 LEU HB2 H -6.528 -2.852 -4.932 1.00 . A A . 4 LEU HB2 1 1 4 917 1 1 4 LEU HB3 H -5.051 -3.680 -4.440 1.00 . A A . 4 LEU HB3 1 1 4 918 1 1 4 LEU HD11 H -6.901 -3.636 -6.981 1.00 . A A . 4 LEU HD11 1 1 4 919 1 1 4 LEU HD12 H -6.942 -5.344 -7.409 1.00 . A A . 4 LEU HD12 1 1 4 920 1 1 4 LEU HD13 H -5.396 -4.545 -7.128 1.00 . A A . 4 LEU HD13 1 1 4 921 1 1 4 LEU HD21 H -5.353 -6.668 -5.963 1.00 . A A . 4 LEU HD21 1 1 4 922 1 1 4 LEU HD22 H -5.995 -6.785 -4.326 1.00 . A A . 4 LEU HD22 1 1 4 923 1 1 4 LEU HD23 H -4.623 -5.730 -4.661 1.00 . A A . 4 LEU HD23 1 1 4 924 1 1 4 LEU HG H -7.525 -5.262 -5.103 1.00 . A A . 4 LEU HG 1 1 4 925 1 1 4 LEU N N -8.035 -3.278 -3.098 1.00 . A A . 4 LEU N 1 1 4 926 1 1 4 LEU O O -4.561 -3.400 -2.100 1.00 . A A . 4 LEU O 1 1 4 927 1 1 5 GLU C C -4.337 -2.478 0.355 1.00 . A A . 5 GLU C 1 1 4 928 1 1 5 GLU CA C -5.480 -1.622 -0.210 1.00 . A A . 5 GLU CA 1 1 4 929 1 1 5 GLU CB C -6.460 -1.228 0.915 1.00 . A A . 5 GLU CB 1 1 4 930 1 1 5 GLU CD C -7.562 -2.707 2.600 1.00 . A A . 5 GLU CD 1 1 4 931 1 1 5 GLU CG C -7.519 -2.323 1.129 1.00 . A A . 5 GLU CG 1 1 4 932 1 1 5 GLU H H -7.272 -2.230 -1.239 1.00 . A A . 5 GLU H 1 1 4 933 1 1 5 GLU HA H -5.078 -0.728 -0.661 1.00 . A A . 5 GLU HA 1 1 4 934 1 1 5 GLU HB2 H -5.910 -1.084 1.833 1.00 . A A . 5 GLU HB2 1 1 4 935 1 1 5 GLU HB3 H -6.952 -0.306 0.648 1.00 . A A . 5 GLU HB3 1 1 4 936 1 1 5 GLU HG2 H -8.488 -1.948 0.828 1.00 . A A . 5 GLU HG2 1 1 4 937 1 1 5 GLU HG3 H -7.271 -3.192 0.542 1.00 . A A . 5 GLU HG3 1 1 4 938 1 1 5 GLU N N -6.306 -2.373 -1.218 1.00 . A A . 5 GLU N 1 1 4 939 1 1 5 GLU O O -3.259 -1.982 0.608 1.00 . A A . 5 GLU O 1 1 4 940 1 1 5 GLU OE1 O -6.651 -3.379 3.042 1.00 . A A . 5 GLU OE1 1 1 4 941 1 1 5 GLU OE2 O -8.510 -2.337 3.261 1.00 . A A . 5 GLU OE2 1 1 4 942 1 1 6 LYS C C -2.219 -4.544 0.241 1.00 . A A . 6 LYS C 1 1 4 943 1 1 6 LYS CA C -3.474 -4.634 1.099 1.00 . A A . 6 LYS CA 1 1 4 944 1 1 6 LYS CB C -4.041 -6.051 1.054 1.00 . A A . 6 LYS CB 1 1 4 945 1 1 6 LYS CD C -4.743 -6.649 3.396 1.00 . A A . 6 LYS CD 1 1 4 946 1 1 6 LYS CE C -5.511 -7.969 3.545 1.00 . A A . 6 LYS CE 1 1 4 947 1 1 6 LYS CG C -3.651 -6.810 2.332 1.00 . A A . 6 LYS CG 1 1 4 948 1 1 6 LYS H H -5.433 -4.132 0.329 1.00 . A A . 6 LYS H 1 1 4 949 1 1 6 LYS HA H -3.241 -4.352 2.113 1.00 . A A . 6 LYS HA 1 1 4 950 1 1 6 LYS HB2 H -5.116 -6.003 0.967 1.00 . A A . 6 LYS HB2 1 1 4 951 1 1 6 LYS HB3 H -3.638 -6.566 0.194 1.00 . A A . 6 LYS HB3 1 1 4 952 1 1 6 LYS HD2 H -4.286 -6.391 4.343 1.00 . A A . 6 LYS HD2 1 1 4 953 1 1 6 LYS HD3 H -5.425 -5.865 3.100 1.00 . A A . 6 LYS HD3 1 1 4 954 1 1 6 LYS HE2 H -4.817 -8.794 3.660 1.00 . A A . 6 LYS HE2 1 1 4 955 1 1 6 LYS HE3 H -6.179 -7.920 4.390 1.00 . A A . 6 LYS HE3 1 1 4 956 1 1 6 LYS HG2 H -3.529 -7.860 2.100 1.00 . A A . 6 LYS HG2 1 1 4 957 1 1 6 LYS HG3 H -2.719 -6.420 2.715 1.00 . A A . 6 LYS HG3 1 1 4 958 1 1 6 LYS HZ1 H -6.921 -7.302 2.172 1.00 . A A . 6 LYS HZ1 1 1 4 959 1 1 6 LYS HZ2 H -6.865 -8.979 2.331 1.00 . A A . 6 LYS HZ2 1 1 4 960 1 1 6 LYS HZ3 H -5.644 -8.172 1.472 1.00 . A A . 6 LYS HZ3 1 1 4 961 1 1 6 LYS N N -4.557 -3.754 0.549 1.00 . A A . 6 LYS N 1 1 4 962 1 1 6 LYS NZ N -6.292 -8.115 2.285 1.00 . A A . 6 LYS NZ 1 1 4 963 1 1 6 LYS O O -1.114 -4.699 0.730 1.00 . A A . 6 LYS O 1 1 4 964 1 1 7 LEU C C -0.216 -3.118 -1.368 1.00 . A A . 7 LEU C 1 1 4 965 1 1 7 LEU CA C -1.177 -4.190 -1.908 1.00 . A A . 7 LEU CA 1 1 4 966 1 1 7 LEU CB C -1.710 -3.819 -3.303 1.00 . A A . 7 LEU CB 1 1 4 967 1 1 7 LEU CD1 C -0.772 -1.547 -3.772 1.00 . A A . 7 LEU CD1 1 1 4 968 1 1 7 LEU CD2 C -3.109 -2.092 -4.445 1.00 . A A . 7 LEU CD2 1 1 4 969 1 1 7 LEU CG C -2.032 -2.323 -3.387 1.00 . A A . 7 LEU CG 1 1 4 970 1 1 7 LEU H H -3.274 -4.183 -1.401 1.00 . A A . 7 LEU H 1 1 4 971 1 1 7 LEU HA H -0.672 -5.141 -1.954 1.00 . A A . 7 LEU HA 1 1 4 972 1 1 7 LEU HB2 H -0.963 -4.062 -4.043 1.00 . A A . 7 LEU HB2 1 1 4 973 1 1 7 LEU HB3 H -2.607 -4.388 -3.502 1.00 . A A . 7 LEU HB3 1 1 4 974 1 1 7 LEU HD11 H -0.924 -1.056 -4.723 1.00 . A A . 7 LEU HD11 1 1 4 975 1 1 7 LEU HD12 H 0.060 -2.229 -3.851 1.00 . A A . 7 LEU HD12 1 1 4 976 1 1 7 LEU HD13 H -0.559 -0.810 -3.012 1.00 . A A . 7 LEU HD13 1 1 4 977 1 1 7 LEU HD21 H -2.959 -1.126 -4.905 1.00 . A A . 7 LEU HD21 1 1 4 978 1 1 7 LEU HD22 H -4.080 -2.122 -3.976 1.00 . A A . 7 LEU HD22 1 1 4 979 1 1 7 LEU HD23 H -3.050 -2.862 -5.199 1.00 . A A . 7 LEU HD23 1 1 4 980 1 1 7 LEU HG H -2.388 -1.974 -2.428 1.00 . A A . 7 LEU HG 1 1 4 981 1 1 7 LEU N N -2.372 -4.299 -1.029 1.00 . A A . 7 LEU N 1 1 4 982 1 1 7 LEU O O 0.935 -3.073 -1.750 1.00 . A A . 7 LEU O 1 1 4 983 1 1 8 MET C C 1.319 -1.865 0.927 1.00 . A A . 8 MET C 1 1 4 984 1 1 8 MET CA C 0.242 -1.213 0.059 1.00 . A A . 8 MET CA 1 1 4 985 1 1 8 MET CB C -0.649 -0.238 0.853 1.00 . A A . 8 MET CB 1 1 4 986 1 1 8 MET CE C -1.062 -1.384 4.786 1.00 . A A . 8 MET CE 1 1 4 987 1 1 8 MET CG C -1.210 -0.887 2.124 1.00 . A A . 8 MET CG 1 1 4 988 1 1 8 MET H H -1.593 -2.303 -0.171 1.00 . A A . 8 MET H 1 1 4 989 1 1 8 MET HA H 0.711 -0.692 -0.761 1.00 . A A . 8 MET HA 1 1 4 990 1 1 8 MET HB2 H -0.066 0.626 1.128 1.00 . A A . 8 MET HB2 1 1 4 991 1 1 8 MET HB3 H -1.472 0.073 0.225 1.00 . A A . 8 MET HB3 1 1 4 992 1 1 8 MET HE1 H -0.391 -1.987 5.382 1.00 . A A . 8 MET HE1 1 1 4 993 1 1 8 MET HE2 H -1.806 -2.016 4.321 1.00 . A A . 8 MET HE2 1 1 4 994 1 1 8 MET HE3 H -1.551 -0.663 5.419 1.00 . A A . 8 MET HE3 1 1 4 995 1 1 8 MET HG2 H -2.193 -0.483 2.325 1.00 . A A . 8 MET HG2 1 1 4 996 1 1 8 MET HG3 H -1.286 -1.955 1.988 1.00 . A A . 8 MET HG3 1 1 4 997 1 1 8 MET N N -0.667 -2.258 -0.480 1.00 . A A . 8 MET N 1 1 4 998 1 1 8 MET O O 2.485 -1.558 0.788 1.00 . A A . 8 MET O 1 1 4 999 1 1 8 MET SD S -0.112 -0.525 3.514 1.00 . A A . 8 MET SD 1 1 4 1000 1 1 9 LYS C C 2.883 -4.251 1.621 1.00 . A A . 9 LYS C 1 1 4 1001 1 1 9 LYS CA C 2.005 -3.481 2.592 1.00 . A A . 9 LYS CA 1 1 4 1002 1 1 9 LYS CB C 1.240 -4.415 3.537 1.00 . A A . 9 LYS CB 1 1 4 1003 1 1 9 LYS CD C 2.229 -4.579 5.839 1.00 . A A . 9 LYS CD 1 1 4 1004 1 1 9 LYS CE C 2.467 -5.681 6.880 1.00 . A A . 9 LYS CE 1 1 4 1005 1 1 9 LYS CG C 2.225 -5.180 4.428 1.00 . A A . 9 LYS CG 1 1 4 1006 1 1 9 LYS H H 0.021 -3.073 1.856 1.00 . A A . 9 LYS H 1 1 4 1007 1 1 9 LYS HA H 2.592 -2.768 3.135 1.00 . A A . 9 LYS HA 1 1 4 1008 1 1 9 LYS HB2 H 0.570 -3.831 4.154 1.00 . A A . 9 LYS HB2 1 1 4 1009 1 1 9 LYS HB3 H 0.664 -5.123 2.958 1.00 . A A . 9 LYS HB3 1 1 4 1010 1 1 9 LYS HD2 H 3.014 -3.838 5.911 1.00 . A A . 9 LYS HD2 1 1 4 1011 1 1 9 LYS HD3 H 1.276 -4.108 6.030 1.00 . A A . 9 LYS HD3 1 1 4 1012 1 1 9 LYS HE2 H 2.542 -5.251 7.869 1.00 . A A . 9 LYS HE2 1 1 4 1013 1 1 9 LYS HE3 H 1.668 -6.406 6.847 1.00 . A A . 9 LYS HE3 1 1 4 1014 1 1 9 LYS HG2 H 1.927 -6.218 4.476 1.00 . A A . 9 LYS HG2 1 1 4 1015 1 1 9 LYS HG3 H 3.217 -5.112 4.007 1.00 . A A . 9 LYS HG3 1 1 4 1016 1 1 9 LYS HZ1 H 4.194 -6.745 7.334 1.00 . A A . 9 LYS HZ1 1 1 4 1017 1 1 9 LYS HZ2 H 4.402 -5.615 6.095 1.00 . A A . 9 LYS HZ2 1 1 4 1018 1 1 9 LYS HZ3 H 3.579 -7.066 5.790 1.00 . A A . 9 LYS HZ3 1 1 4 1019 1 1 9 LYS N N 0.962 -2.798 1.781 1.00 . A A . 9 LYS N 1 1 4 1020 1 1 9 LYS NZ N 3.757 -6.323 6.495 1.00 . A A . 9 LYS NZ 1 1 4 1021 1 1 9 LYS O O 4.095 -4.207 1.686 1.00 . A A . 9 LYS O 1 1 4 1022 1 1 10 ALA C C 3.998 -4.735 -0.990 1.00 . A A . 10 ALA C 1 1 4 1023 1 1 10 ALA CA C 2.987 -5.648 -0.376 1.00 . A A . 10 ALA CA 1 1 4 1024 1 1 10 ALA CB C 1.951 -5.880 -1.472 1.00 . A A . 10 ALA CB 1 1 4 1025 1 1 10 ALA H H 1.275 -4.866 0.660 1.00 . A A . 10 ALA H 1 1 4 1026 1 1 10 ALA HA H 3.422 -6.569 -0.022 1.00 . A A . 10 ALA HA 1 1 4 1027 1 1 10 ALA HB1 H 1.550 -6.861 -1.400 1.00 . A A . 10 ALA HB1 1 1 4 1028 1 1 10 ALA HB2 H 2.429 -5.739 -2.441 1.00 . A A . 10 ALA HB2 1 1 4 1029 1 1 10 ALA HB3 H 1.162 -5.142 -1.371 1.00 . A A . 10 ALA HB3 1 1 4 1030 1 1 10 ALA N N 2.253 -4.904 0.686 1.00 . A A . 10 ALA N 1 1 4 1031 1 1 10 ALA O O 5.194 -4.928 -0.926 1.00 . A A . 10 ALA O 1 1 4 1032 1 1 11 PHE C C 5.270 -2.135 -1.420 1.00 . A A . 11 PHE C 1 1 4 1033 1 1 11 PHE CA C 4.248 -2.760 -2.317 1.00 . A A . 11 PHE CA 1 1 4 1034 1 1 11 PHE CB C 3.254 -1.708 -2.695 1.00 . A A . 11 PHE CB 1 1 4 1035 1 1 11 PHE CD1 C 4.413 -0.807 -4.668 1.00 . A A . 11 PHE CD1 1 1 4 1036 1 1 11 PHE CD2 C 4.356 0.493 -2.625 1.00 . A A . 11 PHE CD2 1 1 4 1037 1 1 11 PHE CE1 C 5.148 0.200 -5.300 1.00 . A A . 11 PHE CE1 1 1 4 1038 1 1 11 PHE CE2 C 5.087 1.514 -3.246 1.00 . A A . 11 PHE CE2 1 1 4 1039 1 1 11 PHE CG C 4.026 -0.642 -3.348 1.00 . A A . 11 PHE CG 1 1 4 1040 1 1 11 PHE CZ C 5.481 1.367 -4.591 1.00 . A A . 11 PHE CZ 1 1 4 1041 1 1 11 PHE H H 2.478 -3.670 -1.645 1.00 . A A . 11 PHE H 1 1 4 1042 1 1 11 PHE HA H 4.700 -3.171 -3.194 1.00 . A A . 11 PHE HA 1 1 4 1043 1 1 11 PHE HB2 H 2.517 -2.113 -3.364 1.00 . A A . 11 PHE HB2 1 1 4 1044 1 1 11 PHE HB3 H 2.774 -1.321 -1.812 1.00 . A A . 11 PHE HB3 1 1 4 1045 1 1 11 PHE HD1 H 4.164 -1.739 -5.181 1.00 . A A . 11 PHE HD1 1 1 4 1046 1 1 11 PHE HD2 H 4.056 0.563 -1.569 1.00 . A A . 11 PHE HD2 1 1 4 1047 1 1 11 PHE HE1 H 5.449 0.084 -6.330 1.00 . A A . 11 PHE HE1 1 1 4 1048 1 1 11 PHE HE2 H 5.354 2.406 -2.694 1.00 . A A . 11 PHE HE2 1 1 4 1049 1 1 11 PHE HZ H 6.044 2.150 -5.078 1.00 . A A . 11 PHE HZ 1 1 4 1050 1 1 11 PHE N N 3.458 -3.748 -1.619 1.00 . A A . 11 PHE N 1 1 4 1051 1 1 11 PHE O O 6.437 -2.128 -1.722 1.00 . A A . 11 PHE O 1 1 4 1052 1 1 12 GLU C C 6.912 -1.950 0.853 1.00 . A A . 12 GLU C 1 1 4 1053 1 1 12 GLU CA C 5.827 -0.914 0.532 1.00 . A A . 12 GLU CA 1 1 4 1054 1 1 12 GLU CB C 5.064 -0.468 1.778 1.00 . A A . 12 GLU CB 1 1 4 1055 1 1 12 GLU CD C 4.069 1.625 2.725 1.00 . A A . 12 GLU CD 1 1 4 1056 1 1 12 GLU CG C 4.280 0.806 1.455 1.00 . A A . 12 GLU CG 1 1 4 1057 1 1 12 GLU H H 3.884 -1.548 -0.132 1.00 . A A . 12 GLU H 1 1 4 1058 1 1 12 GLU HA H 6.232 -0.066 -0.006 1.00 . A A . 12 GLU HA 1 1 4 1059 1 1 12 GLU HB2 H 4.381 -1.247 2.084 1.00 . A A . 12 GLU HB2 1 1 4 1060 1 1 12 GLU HB3 H 5.759 -0.268 2.572 1.00 . A A . 12 GLU HB3 1 1 4 1061 1 1 12 GLU HG2 H 4.830 1.395 0.735 1.00 . A A . 12 GLU HG2 1 1 4 1062 1 1 12 GLU HG3 H 3.320 0.536 1.040 1.00 . A A . 12 GLU HG3 1 1 4 1063 1 1 12 GLU N N 4.844 -1.566 -0.341 1.00 . A A . 12 GLU N 1 1 4 1064 1 1 12 GLU O O 8.101 -1.675 0.788 1.00 . A A . 12 GLU O 1 1 4 1065 1 1 12 GLU OE1 O 5.048 2.029 3.323 1.00 . A A . 12 GLU OE1 1 1 4 1066 1 1 12 GLU OE2 O 2.926 1.845 3.077 1.00 . A A . 12 GLU OE2 1 1 4 1067 1 1 13 SER C C 8.068 -4.754 0.025 1.00 . A A . 13 SER C 1 1 4 1068 1 1 13 SER CA C 7.462 -4.277 1.366 1.00 . A A . 13 SER CA 1 1 4 1069 1 1 13 SER CB C 6.632 -5.407 1.988 1.00 . A A . 13 SER CB 1 1 4 1070 1 1 13 SER H H 5.523 -3.359 1.125 1.00 . A A . 13 SER H 1 1 4 1071 1 1 13 SER HA H 8.236 -3.959 2.041 1.00 . A A . 13 SER HA 1 1 4 1072 1 1 13 SER HB2 H 5.763 -5.600 1.370 1.00 . A A . 13 SER HB2 1 1 4 1073 1 1 13 SER HB3 H 7.231 -6.308 2.041 1.00 . A A . 13 SER HB3 1 1 4 1074 1 1 13 SER HG H 5.340 -4.598 3.206 1.00 . A A . 13 SER HG 1 1 4 1075 1 1 13 SER N N 6.492 -3.167 1.121 1.00 . A A . 13 SER N 1 1 4 1076 1 1 13 SER O O 8.693 -5.793 -0.043 1.00 . A A . 13 SER O 1 1 4 1077 1 1 13 SER OG O 6.206 -5.022 3.290 1.00 . A A . 13 SER OG 1 1 4 1078 1 1 14 LEU C C 9.278 -3.165 -2.795 1.00 . A A . 14 LEU C 1 1 4 1079 1 1 14 LEU CA C 8.456 -4.356 -2.365 1.00 . A A . 14 LEU CA 1 1 4 1080 1 1 14 LEU CB C 7.198 -4.652 -3.227 1.00 . A A . 14 LEU CB 1 1 4 1081 1 1 14 LEU CD1 C 7.048 -2.662 -4.744 1.00 . A A . 14 LEU CD1 1 1 4 1082 1 1 14 LEU CD2 C 8.650 -4.480 -5.308 1.00 . A A . 14 LEU CD2 1 1 4 1083 1 1 14 LEU CG C 7.292 -4.160 -4.685 1.00 . A A . 14 LEU CG 1 1 4 1084 1 1 14 LEU H H 7.406 -3.143 -0.945 1.00 . A A . 14 LEU H 1 1 4 1085 1 1 14 LEU HA H 9.082 -5.214 -2.280 1.00 . A A . 14 LEU HA 1 1 4 1086 1 1 14 LEU HB2 H 7.039 -5.716 -3.241 1.00 . A A . 14 LEU HB2 1 1 4 1087 1 1 14 LEU HB3 H 6.344 -4.182 -2.757 1.00 . A A . 14 LEU HB3 1 1 4 1088 1 1 14 LEU HD11 H 6.536 -2.348 -3.846 1.00 . A A . 14 LEU HD11 1 1 4 1089 1 1 14 LEU HD12 H 6.441 -2.430 -5.603 1.00 . A A . 14 LEU HD12 1 1 4 1090 1 1 14 LEU HD13 H 7.993 -2.147 -4.818 1.00 . A A . 14 LEU HD13 1 1 4 1091 1 1 14 LEU HD21 H 9.422 -4.392 -4.568 1.00 . A A . 14 LEU HD21 1 1 4 1092 1 1 14 LEU HD22 H 8.846 -3.788 -6.115 1.00 . A A . 14 LEU HD22 1 1 4 1093 1 1 14 LEU HD23 H 8.639 -5.488 -5.697 1.00 . A A . 14 LEU HD23 1 1 4 1094 1 1 14 LEU HG H 6.520 -4.654 -5.257 1.00 . A A . 14 LEU HG 1 1 4 1095 1 1 14 LEU N N 7.899 -3.992 -1.028 1.00 . A A . 14 LEU N 1 1 4 1096 1 1 14 LEU O O 10.452 -3.277 -3.104 1.00 . A A . 14 LEU O 1 1 4 1097 1 1 15 LYS C C 10.743 -0.856 -2.152 1.00 . A A . 15 LYS C 1 1 4 1098 1 1 15 LYS CA C 9.422 -0.764 -2.929 1.00 . A A . 15 LYS CA 1 1 4 1099 1 1 15 LYS CB C 8.472 0.244 -2.297 1.00 . A A . 15 LYS CB 1 1 4 1100 1 1 15 LYS CD C 9.032 2.675 -2.079 1.00 . A A . 15 LYS CD 1 1 4 1101 1 1 15 LYS CE C 10.026 3.594 -2.801 1.00 . A A . 15 LYS CE 1 1 4 1102 1 1 15 LYS CG C 8.578 1.558 -3.027 1.00 . A A . 15 LYS CG 1 1 4 1103 1 1 15 LYS H H 7.782 -1.956 -2.354 1.00 . A A . 15 LYS H 1 1 4 1104 1 1 15 LYS HA H 9.566 -0.576 -3.978 1.00 . A A . 15 LYS HA 1 1 4 1105 1 1 15 LYS HB2 H 7.458 -0.127 -2.386 1.00 . A A . 15 LYS HB2 1 1 4 1106 1 1 15 LYS HB3 H 8.713 0.360 -1.253 1.00 . A A . 15 LYS HB3 1 1 4 1107 1 1 15 LYS HD2 H 8.173 3.252 -1.771 1.00 . A A . 15 LYS HD2 1 1 4 1108 1 1 15 LYS HD3 H 9.508 2.247 -1.209 1.00 . A A . 15 LYS HD3 1 1 4 1109 1 1 15 LYS HE2 H 9.673 3.819 -3.799 1.00 . A A . 15 LYS HE2 1 1 4 1110 1 1 15 LYS HE3 H 10.168 4.504 -2.240 1.00 . A A . 15 LYS HE3 1 1 4 1111 1 1 15 LYS HG2 H 9.285 1.442 -3.833 1.00 . A A . 15 LYS HG2 1 1 4 1112 1 1 15 LYS HG3 H 7.607 1.797 -3.431 1.00 . A A . 15 LYS HG3 1 1 4 1113 1 1 15 LYS HZ1 H 11.121 1.812 -2.765 1.00 . A A . 15 LYS HZ1 1 1 4 1114 1 1 15 LYS HZ2 H 11.934 3.145 -2.101 1.00 . A A . 15 LYS HZ2 1 1 4 1115 1 1 15 LYS HZ3 H 11.764 3.003 -3.781 1.00 . A A . 15 LYS HZ3 1 1 4 1116 1 1 15 LYS N N 8.700 -2.011 -2.684 1.00 . A A . 15 LYS N 1 1 4 1117 1 1 15 LYS NZ N 11.306 2.828 -2.866 1.00 . A A . 15 LYS NZ 1 1 4 1118 1 1 15 LYS O O 11.775 -0.364 -2.568 1.00 . A A . 15 LYS O 1 1 4 1119 1 1 16 SER C C 13.046 -2.273 -0.966 1.00 . A A . 16 SER C 1 1 4 1120 1 1 16 SER CA C 11.838 -1.792 -0.153 1.00 . A A . 16 SER CA 1 1 4 1121 1 1 16 SER CB C 11.335 -2.919 0.770 1.00 . A A . 16 SER CB 1 1 4 1122 1 1 16 SER H H 9.805 -1.921 -0.775 1.00 . A A . 16 SER H 1 1 4 1123 1 1 16 SER HA H 12.080 -0.922 0.419 1.00 . A A . 16 SER HA 1 1 4 1124 1 1 16 SER HB2 H 10.596 -3.513 0.241 1.00 . A A . 16 SER HB2 1 1 4 1125 1 1 16 SER HB3 H 12.165 -3.560 1.042 1.00 . A A . 16 SER HB3 1 1 4 1126 1 1 16 SER HG H 9.953 -1.847 1.666 1.00 . A A . 16 SER HG 1 1 4 1127 1 1 16 SER N N 10.668 -1.541 -1.034 1.00 . A A . 16 SER N 1 1 4 1128 1 1 16 SER O O 14.018 -1.562 -1.144 1.00 . A A . 16 SER O 1 1 4 1129 1 1 16 SER OG O 10.733 -2.357 1.939 1.00 . A A . 16 SER OG 1 1 4 1130 1 1 17 PHE C C 14.097 -3.529 -3.676 1.00 . A A . 17 PHE C 1 1 4 1131 1 1 17 PHE CA C 14.109 -4.055 -2.237 1.00 . A A . 17 PHE CA 1 1 4 1132 1 1 17 PHE CB C 13.889 -5.576 -2.208 1.00 . A A . 17 PHE CB 1 1 4 1133 1 1 17 PHE CD1 C 12.171 -5.734 -4.045 1.00 . A A . 17 PHE CD1 1 1 4 1134 1 1 17 PHE CD2 C 11.580 -6.469 -1.819 1.00 . A A . 17 PHE CD2 1 1 4 1135 1 1 17 PHE CE1 C 10.896 -6.071 -4.495 1.00 . A A . 17 PHE CE1 1 1 4 1136 1 1 17 PHE CE2 C 10.303 -6.806 -2.266 1.00 . A A . 17 PHE CE2 1 1 4 1137 1 1 17 PHE CG C 12.514 -5.938 -2.708 1.00 . A A . 17 PHE CG 1 1 4 1138 1 1 17 PHE CZ C 9.959 -6.605 -3.607 1.00 . A A . 17 PHE CZ 1 1 4 1139 1 1 17 PHE H H 12.189 -4.023 -1.276 1.00 . A A . 17 PHE H 1 1 4 1140 1 1 17 PHE HA H 15.049 -3.818 -1.763 1.00 . A A . 17 PHE HA 1 1 4 1141 1 1 17 PHE HB2 H 14.617 -6.048 -2.831 1.00 . A A . 17 PHE HB2 1 1 4 1142 1 1 17 PHE HB3 H 13.996 -5.933 -1.194 1.00 . A A . 17 PHE HB3 1 1 4 1143 1 1 17 PHE HD1 H 12.893 -5.324 -4.735 1.00 . A A . 17 PHE HD1 1 1 4 1144 1 1 17 PHE HD2 H 11.848 -6.624 -0.785 1.00 . A A . 17 PHE HD2 1 1 4 1145 1 1 17 PHE HE1 H 10.623 -5.892 -5.524 1.00 . A A . 17 PHE HE1 1 1 4 1146 1 1 17 PHE HE2 H 9.574 -7.197 -1.573 1.00 . A A . 17 PHE HE2 1 1 4 1147 1 1 17 PHE HZ H 8.968 -6.864 -3.957 1.00 . A A . 17 PHE HZ 1 1 4 1148 1 1 17 PHE N N 12.982 -3.482 -1.446 1.00 . A A . 17 PHE N 1 1 4 1149 1 1 17 PHE O O 15.095 -3.602 -4.369 1.00 . A A . 17 PHE O 1 1 4 1150 1 1 18 NH2 HN1 H 12.193 -2.949 -3.624 1.00 . A A . 18 NH2 HN1 1 1 4 1151 1 1 18 NH2 HN2 H 12.995 -2.688 -5.098 1.00 . A A . 18 NH2 HN2 1 1 4 1152 1 1 18 NH2 N N 13.007 -3.008 -4.172 1.00 . A A . 18 NH2 N 1 1 5 1153 1 1 1 MET C C -11.695 1.702 1.513 1.00 . A A . 1 MET C 1 1 5 1154 1 1 1 MET CA C -12.592 2.930 1.293 1.00 . A A . 1 MET CA 1 1 5 1155 1 1 1 MET CB C -12.982 3.040 -0.184 1.00 . A A . 1 MET CB 1 1 5 1156 1 1 1 MET CE C -14.089 3.424 -2.934 1.00 . A A . 1 MET CE 1 1 5 1157 1 1 1 MET CG C -14.416 2.537 -0.378 1.00 . A A . 1 MET CG 1 1 5 1158 1 1 1 MET H1 H -11.347 4.533 0.780 1.00 . A A . 1 MET H1 1 1 5 1159 1 1 1 MET H2 H -11.187 4.023 2.390 1.00 . A A . 1 MET H2 1 1 5 1160 1 1 1 MET H3 H -12.546 4.917 1.919 1.00 . A A . 1 MET H3 1 1 5 1161 1 1 1 MET HA H -13.480 2.854 1.899 1.00 . A A . 1 MET HA 1 1 5 1162 1 1 1 MET HB2 H -12.920 4.069 -0.495 1.00 . A A . 1 MET HB2 1 1 5 1163 1 1 1 MET HB3 H -12.310 2.440 -0.779 1.00 . A A . 1 MET HB3 1 1 5 1164 1 1 1 MET HE1 H -14.494 4.292 -2.431 1.00 . A A . 1 MET HE1 1 1 5 1165 1 1 1 MET HE2 H -14.442 3.396 -3.956 1.00 . A A . 1 MET HE2 1 1 5 1166 1 1 1 MET HE3 H -13.014 3.480 -2.932 1.00 . A A . 1 MET HE3 1 1 5 1167 1 1 1 MET HG2 H -14.617 1.737 0.319 1.00 . A A . 1 MET HG2 1 1 5 1168 1 1 1 MET HG3 H -15.113 3.346 -0.203 1.00 . A A . 1 MET HG3 1 1 5 1169 1 1 1 MET N N -11.862 4.196 1.618 1.00 . A A . 1 MET N 1 1 5 1170 1 1 1 MET O O -12.181 0.634 1.829 1.00 . A A . 1 MET O 1 1 5 1171 1 1 1 MET SD S -14.620 1.923 -2.070 1.00 . A A . 1 MET SD 1 1 5 1172 1 1 2 ALA C C -9.904 -0.503 0.626 1.00 . A A . 2 ALA C 1 1 5 1173 1 1 2 ALA CA C -9.471 0.663 1.524 1.00 . A A . 2 ALA CA 1 1 5 1174 1 1 2 ALA CB C -9.576 0.275 3.005 1.00 . A A . 2 ALA CB 1 1 5 1175 1 1 2 ALA H H -10.023 2.697 1.065 1.00 . A A . 2 ALA H 1 1 5 1176 1 1 2 ALA HA H -8.460 0.951 1.293 1.00 . A A . 2 ALA HA 1 1 5 1177 1 1 2 ALA HB1 H -8.752 -0.374 3.267 1.00 . A A . 2 ALA HB1 1 1 5 1178 1 1 2 ALA HB2 H -10.507 -0.243 3.177 1.00 . A A . 2 ALA HB2 1 1 5 1179 1 1 2 ALA HB3 H -9.541 1.162 3.615 1.00 . A A . 2 ALA HB3 1 1 5 1180 1 1 2 ALA N N -10.395 1.833 1.335 1.00 . A A . 2 ALA N 1 1 5 1181 1 1 2 ALA O O -10.193 -1.593 1.094 1.00 . A A . 2 ALA O 1 1 5 1182 1 1 3 THR C C -9.122 -2.203 -1.944 1.00 . A A . 3 THR C 1 1 5 1183 1 1 3 THR CA C -10.343 -1.352 -1.605 1.00 . A A . 3 THR CA 1 1 5 1184 1 1 3 THR CB C -10.855 -0.602 -2.840 1.00 . A A . 3 THR CB 1 1 5 1185 1 1 3 THR CG2 C -12.330 -0.227 -2.646 1.00 . A A . 3 THR CG2 1 1 5 1186 1 1 3 THR H H -9.691 0.595 -1.008 1.00 . A A . 3 THR H 1 1 5 1187 1 1 3 THR HA H -11.128 -1.957 -1.186 1.00 . A A . 3 THR HA 1 1 5 1188 1 1 3 THR HB H -10.760 -1.236 -3.707 1.00 . A A . 3 THR HB 1 1 5 1189 1 1 3 THR HG1 H -9.672 0.543 -3.906 1.00 . A A . 3 THR HG1 1 1 5 1190 1 1 3 THR HG21 H -12.508 0.769 -3.030 1.00 . A A . 3 THR HG21 1 1 5 1191 1 1 3 THR HG22 H -12.579 -0.252 -1.593 1.00 . A A . 3 THR HG22 1 1 5 1192 1 1 3 THR HG23 H -12.954 -0.932 -3.179 1.00 . A A . 3 THR HG23 1 1 5 1193 1 1 3 THR N N -9.941 -0.281 -0.656 1.00 . A A . 3 THR N 1 1 5 1194 1 1 3 THR O O -9.135 -3.411 -1.802 1.00 . A A . 3 THR O 1 1 5 1195 1 1 3 THR OG1 O -10.080 0.585 -3.029 1.00 . A A . 3 THR OG1 1 1 5 1196 1 1 4 LEU C C -5.761 -2.146 -1.603 1.00 . A A . 4 LEU C 1 1 5 1197 1 1 4 LEU CA C -6.820 -2.340 -2.696 1.00 . A A . 4 LEU CA 1 1 5 1198 1 1 4 LEU CB C -6.326 -1.766 -4.027 1.00 . A A . 4 LEU CB 1 1 5 1199 1 1 4 LEU CD1 C -5.738 -4.040 -4.904 1.00 . A A . 4 LEU CD1 1 1 5 1200 1 1 4 LEU CD2 C -8.045 -3.156 -5.222 1.00 . A A . 4 LEU CD2 1 1 5 1201 1 1 4 LEU CG C -6.562 -2.778 -5.158 1.00 . A A . 4 LEU CG 1 1 5 1202 1 1 4 LEU H H -8.064 -0.598 -2.454 1.00 . A A . 4 LEU H 1 1 5 1203 1 1 4 LEU HA H -7.052 -3.384 -2.808 1.00 . A A . 4 LEU HA 1 1 5 1204 1 1 4 LEU HB2 H -6.861 -0.854 -4.242 1.00 . A A . 4 LEU HB2 1 1 5 1205 1 1 4 LEU HB3 H -5.268 -1.553 -3.947 1.00 . A A . 4 LEU HB3 1 1 5 1206 1 1 4 LEU HD11 H -5.540 -4.533 -5.842 1.00 . A A . 4 LEU HD11 1 1 5 1207 1 1 4 LEU HD12 H -6.289 -4.704 -4.261 1.00 . A A . 4 LEU HD12 1 1 5 1208 1 1 4 LEU HD13 H -4.805 -3.773 -4.433 1.00 . A A . 4 LEU HD13 1 1 5 1209 1 1 4 LEU HD21 H -8.637 -2.276 -5.426 1.00 . A A . 4 LEU HD21 1 1 5 1210 1 1 4 LEU HD22 H -8.351 -3.583 -4.277 1.00 . A A . 4 LEU HD22 1 1 5 1211 1 1 4 LEU HD23 H -8.196 -3.882 -6.008 1.00 . A A . 4 LEU HD23 1 1 5 1212 1 1 4 LEU HG H -6.262 -2.341 -6.101 1.00 . A A . 4 LEU HG 1 1 5 1213 1 1 4 LEU N N -8.054 -1.576 -2.367 1.00 . A A . 4 LEU N 1 1 5 1214 1 1 4 LEU O O -4.579 -2.271 -1.856 1.00 . A A . 4 LEU O 1 1 5 1215 1 1 5 GLU C C -4.100 -2.705 0.717 1.00 . A A . 5 GLU C 1 1 5 1216 1 1 5 GLU CA C -5.211 -1.642 0.731 1.00 . A A . 5 GLU CA 1 1 5 1217 1 1 5 GLU CB C -6.042 -1.762 2.020 1.00 . A A . 5 GLU CB 1 1 5 1218 1 1 5 GLU CD C -6.765 -4.050 2.751 1.00 . A A . 5 GLU CD 1 1 5 1219 1 1 5 GLU CG C -7.120 -2.852 1.877 1.00 . A A . 5 GLU CG 1 1 5 1220 1 1 5 GLU H H -7.138 -1.744 -0.234 1.00 . A A . 5 GLU H 1 1 5 1221 1 1 5 GLU HA H -4.775 -0.657 0.675 1.00 . A A . 5 GLU HA 1 1 5 1222 1 1 5 GLU HB2 H -5.387 -2.013 2.843 1.00 . A A . 5 GLU HB2 1 1 5 1223 1 1 5 GLU HB3 H -6.516 -0.814 2.220 1.00 . A A . 5 GLU HB3 1 1 5 1224 1 1 5 GLU HG2 H -8.075 -2.454 2.187 1.00 . A A . 5 GLU HG2 1 1 5 1225 1 1 5 GLU HG3 H -7.185 -3.173 0.850 1.00 . A A . 5 GLU HG3 1 1 5 1226 1 1 5 GLU N N -6.181 -1.843 -0.398 1.00 . A A . 5 GLU N 1 1 5 1227 1 1 5 GLU O O -2.971 -2.434 1.086 1.00 . A A . 5 GLU O 1 1 5 1228 1 1 5 GLU OE1 O -6.767 -3.905 3.956 1.00 . A A . 5 GLU OE1 1 1 5 1229 1 1 5 GLU OE2 O -6.511 -5.101 2.198 1.00 . A A . 5 GLU OE2 1 1 5 1230 1 1 6 LYS C C -2.146 -4.512 -0.552 1.00 . A A . 6 LYS C 1 1 5 1231 1 1 6 LYS CA C -3.352 -4.974 0.257 1.00 . A A . 6 LYS CA 1 1 5 1232 1 1 6 LYS CB C -4.014 -6.179 -0.413 1.00 . A A . 6 LYS CB 1 1 5 1233 1 1 6 LYS CD C -4.374 -7.557 1.654 1.00 . A A . 6 LYS CD 1 1 5 1234 1 1 6 LYS CE C -5.719 -8.254 1.429 1.00 . A A . 6 LYS CE 1 1 5 1235 1 1 6 LYS CG C -3.621 -7.464 0.320 1.00 . A A . 6 LYS CG 1 1 5 1236 1 1 6 LYS H H -5.313 -4.104 -0.001 1.00 . A A . 6 LYS H 1 1 5 1237 1 1 6 LYS HA H -3.041 -5.224 1.255 1.00 . A A . 6 LYS HA 1 1 5 1238 1 1 6 LYS HB2 H -5.088 -6.061 -0.388 1.00 . A A . 6 LYS HB2 1 1 5 1239 1 1 6 LYS HB3 H -3.687 -6.239 -1.441 1.00 . A A . 6 LYS HB3 1 1 5 1240 1 1 6 LYS HD2 H -3.786 -8.128 2.359 1.00 . A A . 6 LYS HD2 1 1 5 1241 1 1 6 LYS HD3 H -4.544 -6.565 2.045 1.00 . A A . 6 LYS HD3 1 1 5 1242 1 1 6 LYS HE2 H -6.083 -8.047 0.431 1.00 . A A . 6 LYS HE2 1 1 5 1243 1 1 6 LYS HE3 H -5.619 -9.317 1.578 1.00 . A A . 6 LYS HE3 1 1 5 1244 1 1 6 LYS HG2 H -3.870 -8.319 -0.298 1.00 . A A . 6 LYS HG2 1 1 5 1245 1 1 6 LYS HG3 H -2.559 -7.461 0.509 1.00 . A A . 6 LYS HG3 1 1 5 1246 1 1 6 LYS HZ1 H -7.607 -7.984 2.263 1.00 . A A . 6 LYS HZ1 1 1 5 1247 1 1 6 LYS HZ2 H -6.597 -6.626 2.404 1.00 . A A . 6 LYS HZ2 1 1 5 1248 1 1 6 LYS HZ3 H -6.343 -7.991 3.398 1.00 . A A . 6 LYS HZ3 1 1 5 1249 1 1 6 LYS N N -4.401 -3.908 0.293 1.00 . A A . 6 LYS N 1 1 5 1250 1 1 6 LYS NZ N -6.635 -7.676 2.449 1.00 . A A . 6 LYS NZ 1 1 5 1251 1 1 6 LYS O O -1.017 -4.852 -0.240 1.00 . A A . 6 LYS O 1 1 5 1252 1 1 7 LEU C C -0.274 -2.417 -1.520 1.00 . A A . 7 LEU C 1 1 5 1253 1 1 7 LEU CA C -1.230 -3.240 -2.396 1.00 . A A . 7 LEU CA 1 1 5 1254 1 1 7 LEU CB C -1.861 -2.386 -3.522 1.00 . A A . 7 LEU CB 1 1 5 1255 1 1 7 LEU CD1 C -0.641 -0.212 -3.773 1.00 . A A . 7 LEU CD1 1 1 5 1256 1 1 7 LEU CD2 C -3.130 -0.223 -3.678 1.00 . A A . 7 LEU CD2 1 1 5 1257 1 1 7 LEU CG C -1.861 -0.894 -3.149 1.00 . A A . 7 LEU CG 1 1 5 1258 1 1 7 LEU H H -3.288 -3.473 -1.804 1.00 . A A . 7 LEU H 1 1 5 1259 1 1 7 LEU HA H -0.703 -4.076 -2.830 1.00 . A A . 7 LEU HA 1 1 5 1260 1 1 7 LEU HB2 H -1.291 -2.524 -4.429 1.00 . A A . 7 LEU HB2 1 1 5 1261 1 1 7 LEU HB3 H -2.877 -2.712 -3.689 1.00 . A A . 7 LEU HB3 1 1 5 1262 1 1 7 LEU HD11 H -0.791 -0.110 -4.838 1.00 . A A . 7 LEU HD11 1 1 5 1263 1 1 7 LEU HD12 H 0.238 -0.810 -3.589 1.00 . A A . 7 LEU HD12 1 1 5 1264 1 1 7 LEU HD13 H -0.507 0.770 -3.335 1.00 . A A . 7 LEU HD13 1 1 5 1265 1 1 7 LEU HD21 H -3.365 -0.615 -4.654 1.00 . A A . 7 LEU HD21 1 1 5 1266 1 1 7 LEU HD22 H -2.971 0.842 -3.747 1.00 . A A . 7 LEU HD22 1 1 5 1267 1 1 7 LEU HD23 H -3.950 -0.421 -3.001 1.00 . A A . 7 LEU HD23 1 1 5 1268 1 1 7 LEU HG H -1.820 -0.790 -2.076 1.00 . A A . 7 LEU HG 1 1 5 1269 1 1 7 LEU N N -2.370 -3.736 -1.578 1.00 . A A . 7 LEU N 1 1 5 1270 1 1 7 LEU O O 0.861 -2.185 -1.889 1.00 . A A . 7 LEU O 1 1 5 1271 1 1 8 MET C C 1.232 -2.135 1.156 1.00 . A A . 8 MET C 1 1 5 1272 1 1 8 MET CA C 0.215 -1.192 0.510 1.00 . A A . 8 MET CA 1 1 5 1273 1 1 8 MET CB C -0.687 -0.479 1.543 1.00 . A A . 8 MET CB 1 1 5 1274 1 1 8 MET CE C -2.974 -1.066 4.108 1.00 . A A . 8 MET CE 1 1 5 1275 1 1 8 MET CG C -0.522 -1.080 2.946 1.00 . A A . 8 MET CG 1 1 5 1276 1 1 8 MET H H -1.618 -2.193 -0.051 1.00 . A A . 8 MET H 1 1 5 1277 1 1 8 MET HA H 0.736 -0.460 -0.094 1.00 . A A . 8 MET HA 1 1 5 1278 1 1 8 MET HB2 H -0.424 0.570 1.576 1.00 . A A . 8 MET HB2 1 1 5 1279 1 1 8 MET HB3 H -1.719 -0.574 1.239 1.00 . A A . 8 MET HB3 1 1 5 1280 1 1 8 MET HE1 H -3.764 -0.524 4.612 1.00 . A A . 8 MET HE1 1 1 5 1281 1 1 8 MET HE2 H -2.807 -2.011 4.611 1.00 . A A . 8 MET HE2 1 1 5 1282 1 1 8 MET HE3 H -3.268 -1.248 3.087 1.00 . A A . 8 MET HE3 1 1 5 1283 1 1 8 MET HG2 H -0.900 -2.090 2.954 1.00 . A A . 8 MET HG2 1 1 5 1284 1 1 8 MET HG3 H 0.523 -1.080 3.220 1.00 . A A . 8 MET HG3 1 1 5 1285 1 1 8 MET N N -0.705 -1.985 -0.357 1.00 . A A . 8 MET N 1 1 5 1286 1 1 8 MET O O 2.418 -1.881 1.119 1.00 . A A . 8 MET O 1 1 5 1287 1 1 8 MET SD S -1.449 -0.089 4.135 1.00 . A A . 8 MET SD 1 1 5 1288 1 1 9 LYS C C 2.598 -4.760 1.151 1.00 . A A . 9 LYS C 1 1 5 1289 1 1 9 LYS CA C 1.768 -4.200 2.296 1.00 . A A . 9 LYS CA 1 1 5 1290 1 1 9 LYS CB C 0.936 -5.290 2.971 1.00 . A A . 9 LYS CB 1 1 5 1291 1 1 9 LYS CD C 1.837 -7.301 4.175 1.00 . A A . 9 LYS CD 1 1 5 1292 1 1 9 LYS CE C 2.471 -7.800 5.483 1.00 . A A . 9 LYS CE 1 1 5 1293 1 1 9 LYS CG C 1.665 -5.777 4.227 1.00 . A A . 9 LYS CG 1 1 5 1294 1 1 9 LYS H H -0.160 -3.452 1.700 1.00 . A A . 9 LYS H 1 1 5 1295 1 1 9 LYS HA H 2.402 -3.704 3.003 1.00 . A A . 9 LYS HA 1 1 5 1296 1 1 9 LYS HB2 H -0.030 -4.890 3.245 1.00 . A A . 9 LYS HB2 1 1 5 1297 1 1 9 LYS HB3 H 0.805 -6.112 2.287 1.00 . A A . 9 LYS HB3 1 1 5 1298 1 1 9 LYS HD2 H 0.869 -7.767 4.044 1.00 . A A . 9 LYS HD2 1 1 5 1299 1 1 9 LYS HD3 H 2.475 -7.565 3.345 1.00 . A A . 9 LYS HD3 1 1 5 1300 1 1 9 LYS HE2 H 2.780 -8.833 5.377 1.00 . A A . 9 LYS HE2 1 1 5 1301 1 1 9 LYS HE3 H 3.316 -7.183 5.753 1.00 . A A . 9 LYS HE3 1 1 5 1302 1 1 9 LYS HG2 H 2.636 -5.308 4.280 1.00 . A A . 9 LYS HG2 1 1 5 1303 1 1 9 LYS HG3 H 1.088 -5.511 5.101 1.00 . A A . 9 LYS HG3 1 1 5 1304 1 1 9 LYS HZ1 H 0.531 -8.139 6.169 1.00 . A A . 9 LYS HZ1 1 1 5 1305 1 1 9 LYS HZ2 H 1.205 -6.676 6.702 1.00 . A A . 9 LYS HZ2 1 1 5 1306 1 1 9 LYS HZ3 H 1.711 -8.142 7.387 1.00 . A A . 9 LYS HZ3 1 1 5 1307 1 1 9 LYS N N 0.793 -3.240 1.708 1.00 . A A . 9 LYS N 1 1 5 1308 1 1 9 LYS NZ N 1.399 -7.677 6.510 1.00 . A A . 9 LYS NZ 1 1 5 1309 1 1 9 LYS O O 3.800 -4.903 1.257 1.00 . A A . 9 LYS O 1 1 5 1310 1 1 10 ALA C C 3.788 -4.548 -1.466 1.00 . A A . 10 ALA C 1 1 5 1311 1 1 10 ALA CA C 2.677 -5.499 -1.179 1.00 . A A . 10 ALA CA 1 1 5 1312 1 1 10 ALA CB C 1.705 -5.297 -2.337 1.00 . A A . 10 ALA CB 1 1 5 1313 1 1 10 ALA H H 0.993 -4.842 -0.007 1.00 . A A . 10 ALA H 1 1 5 1314 1 1 10 ALA HA H 3.011 -6.521 -1.099 1.00 . A A . 10 ALA HA 1 1 5 1315 1 1 10 ALA HB1 H 2.277 -5.095 -3.240 1.00 . A A . 10 ALA HB1 1 1 5 1316 1 1 10 ALA HB2 H 1.085 -4.435 -2.129 1.00 . A A . 10 ALA HB2 1 1 5 1317 1 1 10 ALA HB3 H 1.100 -6.161 -2.476 1.00 . A A . 10 ALA HB3 1 1 5 1318 1 1 10 ALA N N 1.955 -5.015 0.039 1.00 . A A . 10 ALA N 1 1 5 1319 1 1 10 ALA O O 4.952 -4.879 -1.538 1.00 . A A . 10 ALA O 1 1 5 1320 1 1 11 PHE C C 5.291 -2.011 -0.958 1.00 . A A . 11 PHE C 1 1 5 1321 1 1 11 PHE CA C 4.300 -2.293 -2.035 1.00 . A A . 11 PHE CA 1 1 5 1322 1 1 11 PHE CB C 3.469 -1.076 -2.218 1.00 . A A . 11 PHE CB 1 1 5 1323 1 1 11 PHE CD1 C 4.855 -0.209 -4.046 1.00 . A A . 11 PHE CD1 1 1 5 1324 1 1 11 PHE CD2 C 4.870 0.908 -1.905 1.00 . A A . 11 PHE CD2 1 1 5 1325 1 1 11 PHE CE1 C 5.772 0.716 -4.553 1.00 . A A . 11 PHE CE1 1 1 5 1326 1 1 11 PHE CE2 C 5.785 1.850 -2.395 1.00 . A A . 11 PHE CE2 1 1 5 1327 1 1 11 PHE CG C 4.418 -0.090 -2.738 1.00 . A A . 11 PHE CG 1 1 5 1328 1 1 11 PHE CZ C 6.233 1.755 -3.727 1.00 . A A . 11 PHE CZ 1 1 5 1329 1 1 11 PHE H H 2.414 -3.143 -1.646 1.00 . A A . 11 PHE H 1 1 5 1330 1 1 11 PHE HA H 4.802 -2.514 -2.943 1.00 . A A . 11 PHE HA 1 1 5 1331 1 1 11 PHE HB2 H 2.669 -1.258 -2.916 1.00 . A A . 11 PHE HB2 1 1 5 1332 1 1 11 PHE HB3 H 3.073 -0.741 -1.272 1.00 . A A . 11 PHE HB3 1 1 5 1333 1 1 11 PHE HD1 H 4.504 -1.055 -4.649 1.00 . A A . 11 PHE HD1 1 1 5 1334 1 1 11 PHE HD2 H 4.525 0.925 -0.868 1.00 . A A . 11 PHE HD2 1 1 5 1335 1 1 11 PHE HE1 H 6.114 0.635 -5.573 1.00 . A A . 11 PHE HE1 1 1 5 1336 1 1 11 PHE HE2 H 6.149 2.643 -1.755 1.00 . A A . 11 PHE HE2 1 1 5 1337 1 1 11 PHE HZ H 6.940 2.478 -4.112 1.00 . A A . 11 PHE HZ 1 1 5 1338 1 1 11 PHE N N 3.376 -3.344 -1.684 1.00 . A A . 11 PHE N 1 1 5 1339 1 1 11 PHE O O 6.478 -2.004 -1.192 1.00 . A A . 11 PHE O 1 1 5 1340 1 1 12 GLU C C 6.777 -2.563 1.340 1.00 . A A . 12 GLU C 1 1 5 1341 1 1 12 GLU CA C 5.777 -1.405 1.263 1.00 . A A . 12 GLU CA 1 1 5 1342 1 1 12 GLU CB C 4.961 -1.270 2.546 1.00 . A A . 12 GLU CB 1 1 5 1343 1 1 12 GLU CD C 5.301 1.096 3.293 1.00 . A A . 12 GLU CD 1 1 5 1344 1 1 12 GLU CG C 4.335 0.127 2.618 1.00 . A A . 12 GLU CG 1 1 5 1345 1 1 12 GLU H H 3.856 -1.697 0.365 1.00 . A A . 12 GLU H 1 1 5 1346 1 1 12 GLU HA H 6.258 -0.468 0.995 1.00 . A A . 12 GLU HA 1 1 5 1347 1 1 12 GLU HB2 H 4.179 -2.017 2.555 1.00 . A A . 12 GLU HB2 1 1 5 1348 1 1 12 GLU HB3 H 5.608 -1.420 3.389 1.00 . A A . 12 GLU HB3 1 1 5 1349 1 1 12 GLU HG2 H 4.116 0.473 1.618 1.00 . A A . 12 GLU HG2 1 1 5 1350 1 1 12 GLU HG3 H 3.420 0.078 3.188 1.00 . A A . 12 GLU HG3 1 1 5 1351 1 1 12 GLU N N 4.823 -1.726 0.204 1.00 . A A . 12 GLU N 1 1 5 1352 1 1 12 GLU O O 7.964 -2.371 1.527 1.00 . A A . 12 GLU O 1 1 5 1353 1 1 12 GLU OE1 O 6.317 1.397 2.697 1.00 . A A . 12 GLU OE1 1 1 5 1354 1 1 12 GLU OE2 O 5.007 1.522 4.394 1.00 . A A . 12 GLU OE2 1 1 5 1355 1 1 13 SER C C 8.270 -4.736 0.020 1.00 . A A . 13 SER C 1 1 5 1356 1 1 13 SER CA C 7.210 -4.948 1.119 1.00 . A A . 13 SER CA 1 1 5 1357 1 1 13 SER CB C 6.318 -6.160 0.815 1.00 . A A . 13 SER CB 1 1 5 1358 1 1 13 SER H H 5.336 -3.892 0.963 1.00 . A A . 13 SER H 1 1 5 1359 1 1 13 SER HA H 7.683 -5.064 2.075 1.00 . A A . 13 SER HA 1 1 5 1360 1 1 13 SER HB2 H 5.629 -5.918 0.020 1.00 . A A . 13 SER HB2 1 1 5 1361 1 1 13 SER HB3 H 6.930 -6.997 0.506 1.00 . A A . 13 SER HB3 1 1 5 1362 1 1 13 SER HG H 4.739 -6.013 1.953 1.00 . A A . 13 SER HG 1 1 5 1363 1 1 13 SER N N 6.297 -3.771 1.137 1.00 . A A . 13 SER N 1 1 5 1364 1 1 13 SER O O 9.384 -5.189 0.134 1.00 . A A . 13 SER O 1 1 5 1365 1 1 13 SER OG O 5.574 -6.501 1.987 1.00 . A A . 13 SER OG 1 1 5 1366 1 1 14 LEU C C 9.822 -2.574 -1.608 1.00 . A A . 14 LEU C 1 1 5 1367 1 1 14 LEU CA C 8.944 -3.701 -2.092 1.00 . A A . 14 LEU CA 1 1 5 1368 1 1 14 LEU CB C 8.161 -3.238 -3.315 1.00 . A A . 14 LEU CB 1 1 5 1369 1 1 14 LEU CD1 C 5.905 -3.669 -4.180 1.00 . A A . 14 LEU CD1 1 1 5 1370 1 1 14 LEU CD2 C 7.806 -5.025 -5.028 1.00 . A A . 14 LEU CD2 1 1 5 1371 1 1 14 LEU CG C 7.218 -4.330 -3.800 1.00 . A A . 14 LEU CG 1 1 5 1372 1 1 14 LEU H H 7.057 -3.595 -1.063 1.00 . A A . 14 LEU H 1 1 5 1373 1 1 14 LEU HA H 9.529 -4.559 -2.309 1.00 . A A . 14 LEU HA 1 1 5 1374 1 1 14 LEU HB2 H 7.584 -2.364 -3.052 1.00 . A A . 14 LEU HB2 1 1 5 1375 1 1 14 LEU HB3 H 8.850 -2.988 -4.102 1.00 . A A . 14 LEU HB3 1 1 5 1376 1 1 14 LEU HD11 H 5.987 -2.602 -4.015 1.00 . A A . 14 LEU HD11 1 1 5 1377 1 1 14 LEU HD12 H 5.111 -4.068 -3.565 1.00 . A A . 14 LEU HD12 1 1 5 1378 1 1 14 LEU HD13 H 5.692 -3.854 -5.217 1.00 . A A . 14 LEU HD13 1 1 5 1379 1 1 14 LEU HD21 H 7.751 -6.096 -4.895 1.00 . A A . 14 LEU HD21 1 1 5 1380 1 1 14 LEU HD22 H 8.837 -4.730 -5.155 1.00 . A A . 14 LEU HD22 1 1 5 1381 1 1 14 LEU HD23 H 7.239 -4.744 -5.903 1.00 . A A . 14 LEU HD23 1 1 5 1382 1 1 14 LEU HG H 7.051 -5.050 -3.008 1.00 . A A . 14 LEU HG 1 1 5 1383 1 1 14 LEU N N 7.944 -3.997 -1.014 1.00 . A A . 14 LEU N 1 1 5 1384 1 1 14 LEU O O 11.026 -2.587 -1.773 1.00 . A A . 14 LEU O 1 1 5 1385 1 1 15 LYS C C 11.079 -1.130 0.436 1.00 . A A . 15 LYS C 1 1 5 1386 1 1 15 LYS CA C 9.950 -0.500 -0.370 1.00 . A A . 15 LYS CA 1 1 5 1387 1 1 15 LYS CB C 8.853 0.127 0.501 1.00 . A A . 15 LYS CB 1 1 5 1388 1 1 15 LYS CD C 10.131 1.591 2.072 1.00 . A A . 15 LYS CD 1 1 5 1389 1 1 15 LYS CE C 9.570 2.460 3.207 1.00 . A A . 15 LYS CE 1 1 5 1390 1 1 15 LYS CG C 9.301 0.314 1.941 1.00 . A A . 15 LYS CG 1 1 5 1391 1 1 15 LYS H H 8.248 -1.681 -0.816 1.00 . A A . 15 LYS H 1 1 5 1392 1 1 15 LYS HA H 10.311 0.187 -1.119 1.00 . A A . 15 LYS HA 1 1 5 1393 1 1 15 LYS HB2 H 8.567 1.058 0.090 1.00 . A A . 15 LYS HB2 1 1 5 1394 1 1 15 LYS HB3 H 7.991 -0.527 0.492 1.00 . A A . 15 LYS HB3 1 1 5 1395 1 1 15 LYS HD2 H 11.158 1.331 2.294 1.00 . A A . 15 LYS HD2 1 1 5 1396 1 1 15 LYS HD3 H 10.095 2.145 1.145 1.00 . A A . 15 LYS HD3 1 1 5 1397 1 1 15 LYS HE2 H 9.372 1.852 4.078 1.00 . A A . 15 LYS HE2 1 1 5 1398 1 1 15 LYS HE3 H 10.263 3.249 3.448 1.00 . A A . 15 LYS HE3 1 1 5 1399 1 1 15 LYS HG2 H 8.426 0.382 2.565 1.00 . A A . 15 LYS HG2 1 1 5 1400 1 1 15 LYS HG3 H 9.890 -0.536 2.244 1.00 . A A . 15 LYS HG3 1 1 5 1401 1 1 15 LYS HZ1 H 7.963 3.774 3.331 1.00 . A A . 15 LYS HZ1 1 1 5 1402 1 1 15 LYS HZ2 H 7.571 2.291 2.603 1.00 . A A . 15 LYS HZ2 1 1 5 1403 1 1 15 LYS HZ3 H 8.471 3.460 1.746 1.00 . A A . 15 LYS HZ3 1 1 5 1404 1 1 15 LYS N N 9.212 -1.624 -0.961 1.00 . A A . 15 LYS N 1 1 5 1405 1 1 15 LYS NZ N 8.303 3.039 2.682 1.00 . A A . 15 LYS NZ 1 1 5 1406 1 1 15 LYS O O 12.231 -0.751 0.360 1.00 . A A . 15 LYS O 1 1 5 1407 1 1 16 SER C C 12.910 -3.296 1.149 1.00 . A A . 16 SER C 1 1 5 1408 1 1 16 SER CA C 11.682 -2.915 1.989 1.00 . A A . 16 SER CA 1 1 5 1409 1 1 16 SER CB C 10.902 -4.170 2.396 1.00 . A A . 16 SER CB 1 1 5 1410 1 1 16 SER H H 9.761 -2.394 1.158 1.00 . A A . 16 SER H 1 1 5 1411 1 1 16 SER HA H 11.974 -2.362 2.857 1.00 . A A . 16 SER HA 1 1 5 1412 1 1 16 SER HB2 H 10.178 -4.393 1.637 1.00 . A A . 16 SER HB2 1 1 5 1413 1 1 16 SER HB3 H 11.580 -5.009 2.486 1.00 . A A . 16 SER HB3 1 1 5 1414 1 1 16 SER HG H 9.436 -3.414 3.435 1.00 . A A . 16 SER HG 1 1 5 1415 1 1 16 SER N N 10.711 -2.137 1.171 1.00 . A A . 16 SER N 1 1 5 1416 1 1 16 SER O O 14.010 -2.841 1.397 1.00 . A A . 16 SER O 1 1 5 1417 1 1 16 SER OG O 10.226 -3.936 3.627 1.00 . A A . 16 SER OG 1 1 5 1418 1 1 17 PHE C C 14.008 -3.631 -1.919 1.00 . A A . 17 PHE C 1 1 5 1419 1 1 17 PHE CA C 13.869 -4.542 -0.697 1.00 . A A . 17 PHE CA 1 1 5 1420 1 1 17 PHE CB C 13.588 -6.002 -1.112 1.00 . A A . 17 PHE CB 1 1 5 1421 1 1 17 PHE CD1 C 11.903 -5.656 -2.991 1.00 . A A . 17 PHE CD1 1 1 5 1422 1 1 17 PHE CD2 C 11.231 -6.907 -1.026 1.00 . A A . 17 PHE CD2 1 1 5 1423 1 1 17 PHE CE1 C 10.629 -5.851 -3.546 1.00 . A A . 17 PHE CE1 1 1 5 1424 1 1 17 PHE CE2 C 9.956 -7.094 -1.582 1.00 . A A . 17 PHE CE2 1 1 5 1425 1 1 17 PHE CG C 12.206 -6.184 -1.727 1.00 . A A . 17 PHE CG 1 1 5 1426 1 1 17 PHE CZ C 9.658 -6.568 -2.839 1.00 . A A . 17 PHE CZ 1 1 5 1427 1 1 17 PHE H H 11.836 -4.477 -0.019 1.00 . A A . 17 PHE H 1 1 5 1428 1 1 17 PHE HA H 14.781 -4.507 -0.119 1.00 . A A . 17 PHE HA 1 1 5 1429 1 1 17 PHE HB2 H 14.325 -6.300 -1.828 1.00 . A A . 17 PHE HB2 1 1 5 1430 1 1 17 PHE HB3 H 13.672 -6.630 -0.239 1.00 . A A . 17 PHE HB3 1 1 5 1431 1 1 17 PHE HD1 H 12.647 -5.100 -3.539 1.00 . A A . 17 PHE HD1 1 1 5 1432 1 1 17 PHE HD2 H 11.460 -7.317 -0.052 1.00 . A A . 17 PHE HD2 1 1 5 1433 1 1 17 PHE HE1 H 10.388 -5.429 -4.513 1.00 . A A . 17 PHE HE1 1 1 5 1434 1 1 17 PHE HE2 H 9.198 -7.631 -1.029 1.00 . A A . 17 PHE HE2 1 1 5 1435 1 1 17 PHE HZ H 8.677 -6.716 -3.268 1.00 . A A . 17 PHE HZ 1 1 5 1436 1 1 17 PHE N N 12.725 -4.127 0.159 1.00 . A A . 17 PHE N 1 1 5 1437 1 1 17 PHE O O 14.414 -4.065 -2.981 1.00 . A A . 17 PHE O 1 1 5 1438 1 1 18 NH2 HN1 H 13.393 -2.012 -0.954 1.00 . A A . 18 NH2 HN1 1 1 5 1439 1 1 18 NH2 HN2 H 13.836 -1.770 -2.572 1.00 . A A . 18 NH2 HN2 1 1 5 1440 1 1 18 NH2 N N 13.720 -2.367 -1.807 1.00 . A A . 18 NH2 N 1 1 6 1441 1 1 1 MET C C -2.881 -3.442 -8.810 1.00 . A A . 1 MET C 1 1 6 1442 1 1 1 MET CA C -1.409 -3.853 -8.927 1.00 . A A . 1 MET CA 1 1 6 1443 1 1 1 MET CB C -0.531 -2.983 -8.013 1.00 . A A . 1 MET CB 1 1 6 1444 1 1 1 MET CE C 1.291 -6.042 -8.774 1.00 . A A . 1 MET CE 1 1 6 1445 1 1 1 MET CG C 0.554 -3.844 -7.362 1.00 . A A . 1 MET CG 1 1 6 1446 1 1 1 MET H1 H 0.100 -3.654 -10.357 1.00 . A A . 1 MET H1 1 1 6 1447 1 1 1 MET H2 H -1.233 -2.642 -10.612 1.00 . A A . 1 MET H2 1 1 6 1448 1 1 1 MET H3 H -1.347 -4.293 -10.962 1.00 . A A . 1 MET H3 1 1 6 1449 1 1 1 MET HA H -1.286 -4.896 -8.680 1.00 . A A . 1 MET HA 1 1 6 1450 1 1 1 MET HB2 H -0.063 -2.201 -8.596 1.00 . A A . 1 MET HB2 1 1 6 1451 1 1 1 MET HB3 H -1.143 -2.536 -7.240 1.00 . A A . 1 MET HB3 1 1 6 1452 1 1 1 MET HE1 H 0.235 -6.107 -9.008 1.00 . A A . 1 MET HE1 1 1 6 1453 1 1 1 MET HE2 H 1.489 -6.558 -7.845 1.00 . A A . 1 MET HE2 1 1 6 1454 1 1 1 MET HE3 H 1.861 -6.503 -9.566 1.00 . A A . 1 MET HE3 1 1 6 1455 1 1 1 MET HG2 H 1.035 -3.279 -6.580 1.00 . A A . 1 MET HG2 1 1 6 1456 1 1 1 MET HG3 H 0.111 -4.735 -6.941 1.00 . A A . 1 MET HG3 1 1 6 1457 1 1 1 MET N N -0.934 -3.591 -10.317 1.00 . A A . 1 MET N 1 1 6 1458 1 1 1 MET O O -3.202 -2.265 -8.795 1.00 . A A . 1 MET O 1 1 6 1459 1 1 1 MET SD S 1.776 -4.305 -8.610 1.00 . A A . 1 MET SD 1 1 6 1460 1 1 2 ALA C C -5.976 -5.108 -7.803 1.00 . A A . 2 ALA C 1 1 6 1461 1 1 2 ALA CA C -5.229 -4.051 -8.625 1.00 . A A . 2 ALA CA 1 1 6 1462 1 1 2 ALA CB C -5.738 -4.026 -10.070 1.00 . A A . 2 ALA CB 1 1 6 1463 1 1 2 ALA H H -3.498 -5.334 -8.752 1.00 . A A . 2 ALA H 1 1 6 1464 1 1 2 ALA HA H -5.351 -3.075 -8.178 1.00 . A A . 2 ALA HA 1 1 6 1465 1 1 2 ALA HB1 H -6.576 -4.703 -10.173 1.00 . A A . 2 ALA HB1 1 1 6 1466 1 1 2 ALA HB2 H -4.947 -4.331 -10.737 1.00 . A A . 2 ALA HB2 1 1 6 1467 1 1 2 ALA HB3 H -6.055 -3.025 -10.320 1.00 . A A . 2 ALA HB3 1 1 6 1468 1 1 2 ALA N N -3.777 -4.394 -8.734 1.00 . A A . 2 ALA N 1 1 6 1469 1 1 2 ALA O O -7.014 -5.598 -8.207 1.00 . A A . 2 ALA O 1 1 6 1470 1 1 3 THR C C -7.199 -5.800 -4.917 1.00 . A A . 3 THR C 1 1 6 1471 1 1 3 THR CA C -6.159 -6.483 -5.817 1.00 . A A . 3 THR CA 1 1 6 1472 1 1 3 THR CB C -5.057 -7.162 -4.992 1.00 . A A . 3 THR CB 1 1 6 1473 1 1 3 THR CG2 C -4.501 -8.358 -5.772 1.00 . A A . 3 THR CG2 1 1 6 1474 1 1 3 THR H H -4.631 -5.059 -6.337 1.00 . A A . 3 THR H 1 1 6 1475 1 1 3 THR HA H -6.638 -7.213 -6.452 1.00 . A A . 3 THR HA 1 1 6 1476 1 1 3 THR HB H -5.475 -7.514 -4.062 1.00 . A A . 3 THR HB 1 1 6 1477 1 1 3 THR HG1 H -3.563 -6.514 -3.911 1.00 . A A . 3 THR HG1 1 1 6 1478 1 1 3 THR HG21 H -5.296 -9.069 -5.953 1.00 . A A . 3 THR HG21 1 1 6 1479 1 1 3 THR HG22 H -3.718 -8.833 -5.200 1.00 . A A . 3 THR HG22 1 1 6 1480 1 1 3 THR HG23 H -4.102 -8.023 -6.714 1.00 . A A . 3 THR HG23 1 1 6 1481 1 1 3 THR N N -5.464 -5.464 -6.654 1.00 . A A . 3 THR N 1 1 6 1482 1 1 3 THR O O -8.381 -5.842 -5.199 1.00 . A A . 3 THR O 1 1 6 1483 1 1 3 THR OG1 O -4.005 -6.236 -4.726 1.00 . A A . 3 THR OG1 1 1 6 1484 1 1 4 LEU C C -7.124 -3.192 -2.361 1.00 . A A . 4 LEU C 1 1 6 1485 1 1 4 LEU CA C -7.747 -4.480 -2.940 1.00 . A A . 4 LEU CA 1 1 6 1486 1 1 4 LEU CB C -8.050 -5.498 -1.828 1.00 . A A . 4 LEU CB 1 1 6 1487 1 1 4 LEU CD1 C -10.202 -4.243 -1.491 1.00 . A A . 4 LEU CD1 1 1 6 1488 1 1 4 LEU CD2 C -10.188 -6.354 -2.825 1.00 . A A . 4 LEU CD2 1 1 6 1489 1 1 4 LEU CG C -9.569 -5.628 -1.626 1.00 . A A . 4 LEU CG 1 1 6 1490 1 1 4 LEU H H -5.817 -5.146 -3.634 1.00 . A A . 4 LEU H 1 1 6 1491 1 1 4 LEU HA H -8.653 -4.244 -3.477 1.00 . A A . 4 LEU HA 1 1 6 1492 1 1 4 LEU HB2 H -7.642 -6.459 -2.103 1.00 . A A . 4 LEU HB2 1 1 6 1493 1 1 4 LEU HB3 H -7.598 -5.170 -0.904 1.00 . A A . 4 LEU HB3 1 1 6 1494 1 1 4 LEU HD11 H -11.161 -4.335 -1.004 1.00 . A A . 4 LEU HD11 1 1 6 1495 1 1 4 LEU HD12 H -10.337 -3.811 -2.472 1.00 . A A . 4 LEU HD12 1 1 6 1496 1 1 4 LEU HD13 H -9.558 -3.608 -0.902 1.00 . A A . 4 LEU HD13 1 1 6 1497 1 1 4 LEU HD21 H -9.430 -6.934 -3.328 1.00 . A A . 4 LEU HD21 1 1 6 1498 1 1 4 LEU HD22 H -10.600 -5.629 -3.513 1.00 . A A . 4 LEU HD22 1 1 6 1499 1 1 4 LEU HD23 H -10.974 -7.009 -2.480 1.00 . A A . 4 LEU HD23 1 1 6 1500 1 1 4 LEU HG H -9.763 -6.194 -0.725 1.00 . A A . 4 LEU HG 1 1 6 1501 1 1 4 LEU N N -6.776 -5.170 -3.843 1.00 . A A . 4 LEU N 1 1 6 1502 1 1 4 LEU O O -7.387 -2.102 -2.835 1.00 . A A . 4 LEU O 1 1 6 1503 1 1 5 GLU C C -4.419 -2.495 0.054 1.00 . A A . 5 GLU C 1 1 6 1504 1 1 5 GLU CA C -5.680 -2.101 -0.726 1.00 . A A . 5 GLU CA 1 1 6 1505 1 1 5 GLU CB C -6.747 -1.527 0.221 1.00 . A A . 5 GLU CB 1 1 6 1506 1 1 5 GLU CD C -7.193 -2.722 2.373 1.00 . A A . 5 GLU CD 1 1 6 1507 1 1 5 GLU CG C -7.566 -2.641 0.896 1.00 . A A . 5 GLU CG 1 1 6 1508 1 1 5 GLU H H -6.108 -4.184 -0.975 1.00 . A A . 5 GLU H 1 1 6 1509 1 1 5 GLU HA H -5.437 -1.376 -1.488 1.00 . A A . 5 GLU HA 1 1 6 1510 1 1 5 GLU HB2 H -6.261 -0.937 0.982 1.00 . A A . 5 GLU HB2 1 1 6 1511 1 1 5 GLU HB3 H -7.411 -0.897 -0.346 1.00 . A A . 5 GLU HB3 1 1 6 1512 1 1 5 GLU HG2 H -8.621 -2.414 0.805 1.00 . A A . 5 GLU HG2 1 1 6 1513 1 1 5 GLU HG3 H -7.364 -3.589 0.425 1.00 . A A . 5 GLU HG3 1 1 6 1514 1 1 5 GLU N N -6.306 -3.308 -1.343 1.00 . A A . 5 GLU N 1 1 6 1515 1 1 5 GLU O O -3.357 -1.925 -0.140 1.00 . A A . 5 GLU O 1 1 6 1516 1 1 5 GLU OE1 O -7.305 -1.718 3.050 1.00 . A A . 5 GLU OE1 1 1 6 1517 1 1 5 GLU OE2 O -6.802 -3.788 2.801 1.00 . A A . 5 GLU OE2 1 1 6 1518 1 1 6 LYS C C -2.143 -4.147 0.851 1.00 . A A . 6 LYS C 1 1 6 1519 1 1 6 LYS CA C -3.351 -3.906 1.749 1.00 . A A . 6 LYS CA 1 1 6 1520 1 1 6 LYS CB C -3.788 -5.212 2.414 1.00 . A A . 6 LYS CB 1 1 6 1521 1 1 6 LYS CD C -4.154 -4.051 4.622 1.00 . A A . 6 LYS CD 1 1 6 1522 1 1 6 LYS CE C -5.195 -4.639 5.593 1.00 . A A . 6 LYS CE 1 1 6 1523 1 1 6 LYS CG C -3.410 -5.190 3.904 1.00 . A A . 6 LYS CG 1 1 6 1524 1 1 6 LYS H H -5.401 -3.891 1.072 1.00 . A A . 6 LYS H 1 1 6 1525 1 1 6 LYS HA H -3.112 -3.167 2.496 1.00 . A A . 6 LYS HA 1 1 6 1526 1 1 6 LYS HB2 H -4.855 -5.330 2.314 1.00 . A A . 6 LYS HB2 1 1 6 1527 1 1 6 LYS HB3 H -3.290 -6.038 1.927 1.00 . A A . 6 LYS HB3 1 1 6 1528 1 1 6 LYS HD2 H -3.439 -3.453 5.174 1.00 . A A . 6 LYS HD2 1 1 6 1529 1 1 6 LYS HD3 H -4.654 -3.428 3.894 1.00 . A A . 6 LYS HD3 1 1 6 1530 1 1 6 LYS HE2 H -4.713 -5.298 6.303 1.00 . A A . 6 LYS HE2 1 1 6 1531 1 1 6 LYS HE3 H -5.711 -3.847 6.113 1.00 . A A . 6 LYS HE3 1 1 6 1532 1 1 6 LYS HG2 H -3.677 -6.136 4.356 1.00 . A A . 6 LYS HG2 1 1 6 1533 1 1 6 LYS HG3 H -2.346 -5.039 3.999 1.00 . A A . 6 LYS HG3 1 1 6 1534 1 1 6 LYS HZ1 H -6.448 -4.815 3.924 1.00 . A A . 6 LYS HZ1 1 1 6 1535 1 1 6 LYS HZ2 H -6.997 -5.648 5.306 1.00 . A A . 6 LYS HZ2 1 1 6 1536 1 1 6 LYS HZ3 H -5.706 -6.273 4.408 1.00 . A A . 6 LYS HZ3 1 1 6 1537 1 1 6 LYS N N -4.531 -3.460 0.939 1.00 . A A . 6 LYS N 1 1 6 1538 1 1 6 LYS NZ N -6.157 -5.402 4.745 1.00 . A A . 6 LYS NZ 1 1 6 1539 1 1 6 LYS O O -1.013 -3.975 1.266 1.00 . A A . 6 LYS O 1 1 6 1540 1 1 7 LEU C C -0.259 -3.593 -1.282 1.00 . A A . 7 LEU C 1 1 6 1541 1 1 7 LEU CA C -1.264 -4.757 -1.340 1.00 . A A . 7 LEU CA 1 1 6 1542 1 1 7 LEU CB C -1.935 -4.833 -2.721 1.00 . A A . 7 LEU CB 1 1 6 1543 1 1 7 LEU CD1 C -1.183 -3.033 -4.287 1.00 . A A . 7 LEU CD1 1 1 6 1544 1 1 7 LEU CD2 C -3.622 -3.395 -3.893 1.00 . A A . 7 LEU CD2 1 1 6 1545 1 1 7 LEU CG C -2.237 -3.421 -3.247 1.00 . A A . 7 LEU CG 1 1 6 1546 1 1 7 LEU H H -3.308 -4.648 -0.672 1.00 . A A . 7 LEU H 1 1 6 1547 1 1 7 LEU HA H -0.767 -5.690 -1.122 1.00 . A A . 7 LEU HA 1 1 6 1548 1 1 7 LEU HB2 H -1.274 -5.342 -3.411 1.00 . A A . 7 LEU HB2 1 1 6 1549 1 1 7 LEU HB3 H -2.856 -5.387 -2.639 1.00 . A A . 7 LEU HB3 1 1 6 1550 1 1 7 LEU HD11 H -1.326 -2.004 -4.577 1.00 . A A . 7 LEU HD11 1 1 6 1551 1 1 7 LEU HD12 H -1.282 -3.668 -5.155 1.00 . A A . 7 LEU HD12 1 1 6 1552 1 1 7 LEU HD13 H -0.196 -3.155 -3.862 1.00 . A A . 7 LEU HD13 1 1 6 1553 1 1 7 LEU HD21 H -3.660 -4.116 -4.692 1.00 . A A . 7 LEU HD21 1 1 6 1554 1 1 7 LEU HD22 H -3.814 -2.408 -4.289 1.00 . A A . 7 LEU HD22 1 1 6 1555 1 1 7 LEU HD23 H -4.368 -3.633 -3.151 1.00 . A A . 7 LEU HD23 1 1 6 1556 1 1 7 LEU HG H -2.211 -2.715 -2.428 1.00 . A A . 7 LEU HG 1 1 6 1557 1 1 7 LEU N N -2.384 -4.526 -0.378 1.00 . A A . 7 LEU N 1 1 6 1558 1 1 7 LEU O O 0.886 -3.739 -1.651 1.00 . A A . 7 LEU O 1 1 6 1559 1 1 8 MET C C 1.371 -1.606 0.275 1.00 . A A . 8 MET C 1 1 6 1560 1 1 8 MET CA C 0.252 -1.282 -0.713 1.00 . A A . 8 MET CA 1 1 6 1561 1 1 8 MET CB C -0.608 -0.124 -0.203 1.00 . A A . 8 MET CB 1 1 6 1562 1 1 8 MET CE C 0.535 2.185 -1.711 1.00 . A A . 8 MET CE 1 1 6 1563 1 1 8 MET CG C -1.485 0.407 -1.340 1.00 . A A . 8 MET CG 1 1 6 1564 1 1 8 MET H H -1.604 -2.347 -0.510 1.00 . A A . 8 MET H 1 1 6 1565 1 1 8 MET HA H 0.662 -1.050 -1.686 1.00 . A A . 8 MET HA 1 1 6 1566 1 1 8 MET HB2 H -1.237 -0.477 0.602 1.00 . A A . 8 MET HB2 1 1 6 1567 1 1 8 MET HB3 H 0.030 0.669 0.160 1.00 . A A . 8 MET HB3 1 1 6 1568 1 1 8 MET HE1 H 0.040 2.374 -0.767 1.00 . A A . 8 MET HE1 1 1 6 1569 1 1 8 MET HE2 H 0.633 3.111 -2.262 1.00 . A A . 8 MET HE2 1 1 6 1570 1 1 8 MET HE3 H 1.515 1.778 -1.522 1.00 . A A . 8 MET HE3 1 1 6 1571 1 1 8 MET HG2 H -2.114 -0.389 -1.706 1.00 . A A . 8 MET HG2 1 1 6 1572 1 1 8 MET HG3 H -2.101 1.216 -0.972 1.00 . A A . 8 MET HG3 1 1 6 1573 1 1 8 MET N N -0.677 -2.442 -0.809 1.00 . A A . 8 MET N 1 1 6 1574 1 1 8 MET O O 2.533 -1.540 -0.067 1.00 . A A . 8 MET O 1 1 6 1575 1 1 8 MET SD S -0.436 1.005 -2.685 1.00 . A A . 8 MET SD 1 1 6 1576 1 1 9 LYS C C 2.898 -3.504 1.878 1.00 . A A . 9 LYS C 1 1 6 1577 1 1 9 LYS CA C 2.101 -2.353 2.466 1.00 . A A . 9 LYS CA 1 1 6 1578 1 1 9 LYS CB C 1.358 -2.773 3.742 1.00 . A A . 9 LYS CB 1 1 6 1579 1 1 9 LYS CD C 3.042 -3.716 5.349 1.00 . A A . 9 LYS CD 1 1 6 1580 1 1 9 LYS CE C 3.159 -3.816 6.876 1.00 . A A . 9 LYS CE 1 1 6 1581 1 1 9 LYS CG C 2.225 -2.474 4.971 1.00 . A A . 9 LYS CG 1 1 6 1582 1 1 9 LYS H H 0.089 -2.067 1.736 1.00 . A A . 9 LYS H 1 1 6 1583 1 1 9 LYS HA H 2.744 -1.516 2.651 1.00 . A A . 9 LYS HA 1 1 6 1584 1 1 9 LYS HB2 H 0.431 -2.217 3.815 1.00 . A A . 9 LYS HB2 1 1 6 1585 1 1 9 LYS HB3 H 1.137 -3.830 3.699 1.00 . A A . 9 LYS HB3 1 1 6 1586 1 1 9 LYS HD2 H 2.552 -4.602 4.968 1.00 . A A . 9 LYS HD2 1 1 6 1587 1 1 9 LYS HD3 H 4.028 -3.638 4.922 1.00 . A A . 9 LYS HD3 1 1 6 1588 1 1 9 LYS HE2 H 2.178 -3.778 7.330 1.00 . A A . 9 LYS HE2 1 1 6 1589 1 1 9 LYS HE3 H 3.666 -4.728 7.156 1.00 . A A . 9 LYS HE3 1 1 6 1590 1 1 9 LYS HG2 H 2.896 -1.657 4.744 1.00 . A A . 9 LYS HG2 1 1 6 1591 1 1 9 LYS HG3 H 1.588 -2.196 5.798 1.00 . A A . 9 LYS HG3 1 1 6 1592 1 1 9 LYS HZ1 H 3.426 -1.765 7.163 1.00 . A A . 9 LYS HZ1 1 1 6 1593 1 1 9 LYS HZ2 H 4.838 -2.586 6.723 1.00 . A A . 9 LYS HZ2 1 1 6 1594 1 1 9 LYS HZ3 H 4.229 -2.734 8.298 1.00 . A A . 9 LYS HZ3 1 1 6 1595 1 1 9 LYS N N 1.035 -1.990 1.486 1.00 . A A . 9 LYS N 1 1 6 1596 1 1 9 LYS NZ N 3.973 -2.634 7.293 1.00 . A A . 9 LYS NZ 1 1 6 1597 1 1 9 LYS O O 4.111 -3.519 1.919 1.00 . A A . 9 LYS O 1 1 6 1598 1 1 10 ALA C C 3.884 -5.054 -0.363 1.00 . A A . 10 ALA C 1 1 6 1599 1 1 10 ALA CA C 2.888 -5.585 0.619 1.00 . A A . 10 ALA CA 1 1 6 1600 1 1 10 ALA CB C 1.808 -6.228 -0.246 1.00 . A A . 10 ALA CB 1 1 6 1601 1 1 10 ALA H H 1.233 -4.357 1.251 1.00 . A A . 10 ALA H 1 1 6 1602 1 1 10 ALA HA H 3.325 -6.284 1.316 1.00 . A A . 10 ALA HA 1 1 6 1603 1 1 10 ALA HB1 H 2.266 -6.574 -1.172 1.00 . A A . 10 ALA HB1 1 1 6 1604 1 1 10 ALA HB2 H 1.065 -5.477 -0.495 1.00 . A A . 10 ALA HB2 1 1 6 1605 1 1 10 ALA HB3 H 1.354 -7.041 0.265 1.00 . A A . 10 ALA HB3 1 1 6 1606 1 1 10 ALA N N 2.210 -4.437 1.287 1.00 . A A . 10 ALA N 1 1 6 1607 1 1 10 ALA O O 5.073 -5.305 -0.317 1.00 . A A . 10 ALA O 1 1 6 1608 1 1 11 PHE C C 5.168 -2.849 -1.859 1.00 . A A . 11 PHE C 1 1 6 1609 1 1 11 PHE CA C 4.117 -3.779 -2.364 1.00 . A A . 11 PHE CA 1 1 6 1610 1 1 11 PHE CB C 3.148 -2.971 -3.163 1.00 . A A . 11 PHE CB 1 1 6 1611 1 1 11 PHE CD1 C 4.160 -3.242 -5.382 1.00 . A A . 11 PHE CD1 1 1 6 1612 1 1 11 PHE CD2 C 4.463 -1.147 -4.206 1.00 . A A . 11 PHE CD2 1 1 6 1613 1 1 11 PHE CE1 C 4.914 -2.756 -6.457 1.00 . A A . 11 PHE CE1 1 1 6 1614 1 1 11 PHE CE2 C 5.223 -0.648 -5.273 1.00 . A A . 11 PHE CE2 1 1 6 1615 1 1 11 PHE CG C 3.940 -2.435 -4.286 1.00 . A A . 11 PHE CG 1 1 6 1616 1 1 11 PHE CZ C 5.444 -1.453 -6.404 1.00 . A A . 11 PHE CZ 1 1 6 1617 1 1 11 PHE H H 2.363 -4.207 -1.285 1.00 . A A . 11 PHE H 1 1 6 1618 1 1 11 PHE HA H 4.544 -4.545 -2.976 1.00 . A A . 11 PHE HA 1 1 6 1619 1 1 11 PHE HB2 H 2.340 -3.586 -3.516 1.00 . A A . 11 PHE HB2 1 1 6 1620 1 1 11 PHE HB3 H 2.761 -2.157 -2.566 1.00 . A A . 11 PHE HB3 1 1 6 1621 1 1 11 PHE HD1 H 3.760 -4.253 -5.377 1.00 . A A . 11 PHE HD1 1 1 6 1622 1 1 11 PHE HD2 H 4.301 -0.554 -3.295 1.00 . A A . 11 PHE HD2 1 1 6 1623 1 1 11 PHE HE1 H 5.094 -3.382 -7.320 1.00 . A A . 11 PHE HE1 1 1 6 1624 1 1 11 PHE HE2 H 5.632 0.352 -5.226 1.00 . A A . 11 PHE HE2 1 1 6 1625 1 1 11 PHE HZ H 6.028 -1.074 -7.232 1.00 . A A . 11 PHE HZ 1 1 6 1626 1 1 11 PHE N N 3.337 -4.344 -1.289 1.00 . A A . 11 PHE N 1 1 6 1627 1 1 11 PHE O O 6.322 -3.009 -2.153 1.00 . A A . 11 PHE O 1 1 6 1628 1 1 12 GLU C C 6.907 -1.683 0.013 1.00 . A A . 12 GLU C 1 1 6 1629 1 1 12 GLU CA C 5.790 -0.887 -0.684 1.00 . A A . 12 GLU CA 1 1 6 1630 1 1 12 GLU CB C 5.079 0.058 0.283 1.00 . A A . 12 GLU CB 1 1 6 1631 1 1 12 GLU CD C 5.283 2.443 -0.427 1.00 . A A . 12 GLU CD 1 1 6 1632 1 1 12 GLU CG C 4.409 1.196 -0.495 1.00 . A A . 12 GLU CG 1 1 6 1633 1 1 12 GLU H H 3.828 -1.710 -0.956 1.00 . A A . 12 GLU H 1 1 6 1634 1 1 12 GLU HA H 6.162 -0.357 -1.555 1.00 . A A . 12 GLU HA 1 1 6 1635 1 1 12 GLU HB2 H 4.331 -0.491 0.838 1.00 . A A . 12 GLU HB2 1 1 6 1636 1 1 12 GLU HB3 H 5.798 0.468 0.966 1.00 . A A . 12 GLU HB3 1 1 6 1637 1 1 12 GLU HG2 H 4.279 0.899 -1.526 1.00 . A A . 12 GLU HG2 1 1 6 1638 1 1 12 GLU HG3 H 3.445 1.409 -0.060 1.00 . A A . 12 GLU HG3 1 1 6 1639 1 1 12 GLU N N 4.781 -1.845 -1.150 1.00 . A A . 12 GLU N 1 1 6 1640 1 1 12 GLU O O 8.079 -1.439 -0.194 1.00 . A A . 12 GLU O 1 1 6 1641 1 1 12 GLU OE1 O 5.284 3.091 0.605 1.00 . A A . 12 GLU OE1 1 1 6 1642 1 1 12 GLU OE2 O 5.941 2.735 -1.408 1.00 . A A . 12 GLU OE2 1 1 6 1643 1 1 13 SER C C 8.449 -4.205 0.365 1.00 . A A . 13 SER C 1 1 6 1644 1 1 13 SER CA C 7.561 -3.558 1.452 1.00 . A A . 13 SER CA 1 1 6 1645 1 1 13 SER CB C 6.741 -4.627 2.193 1.00 . A A . 13 SER CB 1 1 6 1646 1 1 13 SER H H 5.574 -2.878 0.914 1.00 . A A . 13 SER H 1 1 6 1647 1 1 13 SER HA H 8.159 -2.992 2.143 1.00 . A A . 13 SER HA 1 1 6 1648 1 1 13 SER HB2 H 5.974 -5.017 1.538 1.00 . A A . 13 SER HB2 1 1 6 1649 1 1 13 SER HB3 H 7.387 -5.438 2.504 1.00 . A A . 13 SER HB3 1 1 6 1650 1 1 13 SER HG H 5.222 -3.776 3.062 1.00 . A A . 13 SER HG 1 1 6 1651 1 1 13 SER N N 6.535 -2.680 0.794 1.00 . A A . 13 SER N 1 1 6 1652 1 1 13 SER O O 9.581 -4.582 0.605 1.00 . A A . 13 SER O 1 1 6 1653 1 1 13 SER OG O 6.117 -4.038 3.327 1.00 . A A . 13 SER OG 1 1 6 1654 1 1 14 LEU C C 9.320 -3.730 -2.761 1.00 . A A . 14 LEU C 1 1 6 1655 1 1 14 LEU CA C 8.683 -4.885 -1.986 1.00 . A A . 14 LEU CA 1 1 6 1656 1 1 14 LEU CB C 7.590 -5.678 -2.766 1.00 . A A . 14 LEU CB 1 1 6 1657 1 1 14 LEU CD1 C 7.378 -4.194 -4.779 1.00 . A A . 14 LEU CD1 1 1 6 1658 1 1 14 LEU CD2 C 9.105 -6.001 -4.769 1.00 . A A . 14 LEU CD2 1 1 6 1659 1 1 14 LEU CG C 7.708 -5.601 -4.302 1.00 . A A . 14 LEU CG 1 1 6 1660 1 1 14 LEU H H 7.024 -3.972 -0.981 1.00 . A A . 14 LEU H 1 1 6 1661 1 1 14 LEU HA H 9.453 -5.536 -1.629 1.00 . A A . 14 LEU HA 1 1 6 1662 1 1 14 LEU HB2 H 7.643 -6.714 -2.479 1.00 . A A . 14 LEU HB2 1 1 6 1663 1 1 14 LEU HB3 H 6.621 -5.291 -2.478 1.00 . A A . 14 LEU HB3 1 1 6 1664 1 1 14 LEU HD11 H 6.750 -3.713 -4.047 1.00 . A A . 14 LEU HD11 1 1 6 1665 1 1 14 LEU HD12 H 6.855 -4.249 -5.720 1.00 . A A . 14 LEU HD12 1 1 6 1666 1 1 14 LEU HD13 H 8.288 -3.627 -4.900 1.00 . A A . 14 LEU HD13 1 1 6 1667 1 1 14 LEU HD21 H 9.332 -6.994 -4.407 1.00 . A A . 14 LEU HD21 1 1 6 1668 1 1 14 LEU HD22 H 9.831 -5.305 -4.388 1.00 . A A . 14 LEU HD22 1 1 6 1669 1 1 14 LEU HD23 H 9.136 -5.999 -5.848 1.00 . A A . 14 LEU HD23 1 1 6 1670 1 1 14 LEU HG H 6.987 -6.286 -4.735 1.00 . A A . 14 LEU HG 1 1 6 1671 1 1 14 LEU N N 7.930 -4.306 -0.830 1.00 . A A . 14 LEU N 1 1 6 1672 1 1 14 LEU O O 10.463 -3.790 -3.166 1.00 . A A . 14 LEU O 1 1 6 1673 1 1 15 LYS C C 10.431 -1.102 -2.786 1.00 . A A . 15 LYS C 1 1 6 1674 1 1 15 LYS CA C 9.145 -1.440 -3.530 1.00 . A A . 15 LYS CA 1 1 6 1675 1 1 15 LYS CB C 8.018 -0.445 -3.246 1.00 . A A . 15 LYS CB 1 1 6 1676 1 1 15 LYS CD C 9.209 1.734 -3.569 1.00 . A A . 15 LYS CD 1 1 6 1677 1 1 15 LYS CE C 8.337 2.961 -3.852 1.00 . A A . 15 LYS CE 1 1 6 1678 1 1 15 LYS CG C 8.525 0.813 -2.553 1.00 . A A . 15 LYS CG 1 1 6 1679 1 1 15 LYS H H 7.715 -2.620 -2.487 1.00 . A A . 15 LYS H 1 1 6 1680 1 1 15 LYS HA H 9.305 -1.576 -4.586 1.00 . A A . 15 LYS HA 1 1 6 1681 1 1 15 LYS HB2 H 7.546 -0.189 -4.147 1.00 . A A . 15 LYS HB2 1 1 6 1682 1 1 15 LYS HB3 H 7.292 -0.922 -2.602 1.00 . A A . 15 LYS HB3 1 1 6 1683 1 1 15 LYS HD2 H 10.156 2.060 -3.171 1.00 . A A . 15 LYS HD2 1 1 6 1684 1 1 15 LYS HD3 H 9.376 1.194 -4.490 1.00 . A A . 15 LYS HD3 1 1 6 1685 1 1 15 LYS HE2 H 8.860 3.641 -4.513 1.00 . A A . 15 LYS HE2 1 1 6 1686 1 1 15 LYS HE3 H 7.395 2.660 -4.288 1.00 . A A . 15 LYS HE3 1 1 6 1687 1 1 15 LYS HG2 H 7.691 1.319 -2.096 1.00 . A A . 15 LYS HG2 1 1 6 1688 1 1 15 LYS HG3 H 9.231 0.533 -1.788 1.00 . A A . 15 LYS HG3 1 1 6 1689 1 1 15 LYS HZ1 H 8.944 3.469 -1.917 1.00 . A A . 15 LYS HZ1 1 1 6 1690 1 1 15 LYS HZ2 H 7.274 3.160 -2.058 1.00 . A A . 15 LYS HZ2 1 1 6 1691 1 1 15 LYS HZ3 H 7.930 4.613 -2.651 1.00 . A A . 15 LYS HZ3 1 1 6 1692 1 1 15 LYS N N 8.609 -2.654 -2.886 1.00 . A A . 15 LYS N 1 1 6 1693 1 1 15 LYS NZ N 8.106 3.600 -2.521 1.00 . A A . 15 LYS NZ 1 1 6 1694 1 1 15 LYS O O 11.450 -0.744 -3.346 1.00 . A A . 15 LYS O 1 1 6 1695 1 1 16 SER C C 12.801 -1.482 -1.143 1.00 . A A . 16 SER C 1 1 6 1696 1 1 16 SER CA C 11.463 -1.027 -0.557 1.00 . A A . 16 SER CA 1 1 6 1697 1 1 16 SER CB C 11.088 -1.917 0.630 1.00 . A A . 16 SER CB 1 1 6 1698 1 1 16 SER H H 9.467 -1.549 -1.143 1.00 . A A . 16 SER H 1 1 6 1699 1 1 16 SER HA H 11.508 -0.003 -0.251 1.00 . A A . 16 SER HA 1 1 6 1700 1 1 16 SER HB2 H 10.553 -2.785 0.265 1.00 . A A . 16 SER HB2 1 1 6 1701 1 1 16 SER HB3 H 11.987 -2.249 1.137 1.00 . A A . 16 SER HB3 1 1 6 1702 1 1 16 SER HG H 9.372 -1.128 1.110 1.00 . A A . 16 SER HG 1 1 6 1703 1 1 16 SER N N 10.336 -1.257 -1.501 1.00 . A A . 16 SER N 1 1 6 1704 1 1 16 SER O O 13.735 -0.712 -1.267 1.00 . A A . 16 SER O 1 1 6 1705 1 1 16 SER OG O 10.247 -1.187 1.519 1.00 . A A . 16 SER OG 1 1 6 1706 1 1 17 PHE C C 14.169 -3.254 -3.551 1.00 . A A . 17 PHE C 1 1 6 1707 1 1 17 PHE CA C 14.175 -3.271 -2.017 1.00 . A A . 17 PHE CA 1 1 6 1708 1 1 17 PHE CB C 14.262 -4.706 -1.472 1.00 . A A . 17 PHE CB 1 1 6 1709 1 1 17 PHE CD1 C 12.709 -5.795 -3.133 1.00 . A A . 17 PHE CD1 1 1 6 1710 1 1 17 PHE CD2 C 12.197 -5.938 -0.775 1.00 . A A . 17 PHE CD2 1 1 6 1711 1 1 17 PHE CE1 C 11.563 -6.534 -3.422 1.00 . A A . 17 PHE CE1 1 1 6 1712 1 1 17 PHE CE2 C 11.056 -6.679 -1.061 1.00 . A A . 17 PHE CE2 1 1 6 1713 1 1 17 PHE CG C 13.024 -5.497 -1.806 1.00 . A A . 17 PHE CG 1 1 6 1714 1 1 17 PHE CZ C 10.734 -6.982 -2.388 1.00 . A A . 17 PHE CZ 1 1 6 1715 1 1 17 PHE H H 12.138 -3.325 -1.343 1.00 . A A . 17 PHE H 1 1 6 1716 1 1 17 PHE HA H 15.005 -2.690 -1.644 1.00 . A A . 17 PHE HA 1 1 6 1717 1 1 17 PHE HB2 H 15.106 -5.194 -1.903 1.00 . A A . 17 PHE HB2 1 1 6 1718 1 1 17 PHE HB3 H 14.371 -4.670 -0.399 1.00 . A A . 17 PHE HB3 1 1 6 1719 1 1 17 PHE HD1 H 13.346 -5.448 -3.934 1.00 . A A . 17 PHE HD1 1 1 6 1720 1 1 17 PHE HD2 H 12.442 -5.707 0.248 1.00 . A A . 17 PHE HD2 1 1 6 1721 1 1 17 PHE HE1 H 11.306 -6.751 -4.449 1.00 . A A . 17 PHE HE1 1 1 6 1722 1 1 17 PHE HE2 H 10.409 -6.997 -0.258 1.00 . A A . 17 PHE HE2 1 1 6 1723 1 1 17 PHE HZ H 9.848 -7.561 -2.614 1.00 . A A . 17 PHE HZ 1 1 6 1724 1 1 17 PHE N N 12.900 -2.733 -1.471 1.00 . A A . 17 PHE N 1 1 6 1725 1 1 17 PHE O O 13.273 -2.716 -4.169 1.00 . A A . 17 PHE O 1 1 6 1726 1 1 18 NH2 HN1 H 15.872 -4.258 -3.702 1.00 . A A . 18 NH2 HN1 1 1 6 1727 1 1 18 NH2 HN2 H 15.154 -3.820 -5.176 1.00 . A A . 18 NH2 HN2 1 1 6 1728 1 1 18 NH2 N N 15.145 -3.825 -4.196 1.00 . A A . 18 NH2 N 1 1 7 1729 1 1 1 MET C C -11.096 -5.086 -0.830 1.00 . A A . 1 MET C 1 1 7 1730 1 1 1 MET CA C -12.367 -5.737 -1.376 1.00 . A A . 1 MET CA 1 1 7 1731 1 1 1 MET CB C -12.337 -5.733 -2.910 1.00 . A A . 1 MET CB 1 1 7 1732 1 1 1 MET CE C -11.405 -6.577 -5.606 1.00 . A A . 1 MET CE 1 1 7 1733 1 1 1 MET CG C -13.011 -6.999 -3.451 1.00 . A A . 1 MET CG 1 1 7 1734 1 1 1 MET H1 H -14.403 -5.304 -1.439 1.00 . A A . 1 MET H1 1 1 7 1735 1 1 1 MET H2 H -13.410 -3.935 -1.295 1.00 . A A . 1 MET H2 1 1 7 1736 1 1 1 MET H3 H -13.673 -4.948 0.040 1.00 . A A . 1 MET H3 1 1 7 1737 1 1 1 MET HA H -12.466 -6.745 -1.010 1.00 . A A . 1 MET HA 1 1 7 1738 1 1 1 MET HB2 H -12.860 -4.862 -3.279 1.00 . A A . 1 MET HB2 1 1 7 1739 1 1 1 MET HB3 H -11.311 -5.702 -3.243 1.00 . A A . 1 MET HB3 1 1 7 1740 1 1 1 MET HE1 H -11.247 -6.577 -6.674 1.00 . A A . 1 MET HE1 1 1 7 1741 1 1 1 MET HE2 H -10.803 -7.349 -5.149 1.00 . A A . 1 MET HE2 1 1 7 1742 1 1 1 MET HE3 H -11.120 -5.618 -5.203 1.00 . A A . 1 MET HE3 1 1 7 1743 1 1 1 MET HG2 H -12.416 -7.864 -3.193 1.00 . A A . 1 MET HG2 1 1 7 1744 1 1 1 MET HG3 H -13.996 -7.097 -3.016 1.00 . A A . 1 MET HG3 1 1 7 1745 1 1 1 MET N N -13.552 -4.920 -0.990 1.00 . A A . 1 MET N 1 1 7 1746 1 1 1 MET O O -10.877 -3.898 -1.003 1.00 . A A . 1 MET O 1 1 7 1747 1 1 1 MET SD S -13.157 -6.884 -5.254 1.00 . A A . 1 MET SD 1 1 7 1748 1 1 2 ALA C C -7.932 -5.226 -0.755 1.00 . A A . 2 ALA C 1 1 7 1749 1 1 2 ALA CA C -8.986 -5.263 0.355 1.00 . A A . 2 ALA CA 1 1 7 1750 1 1 2 ALA CB C -8.554 -6.200 1.487 1.00 . A A . 2 ALA CB 1 1 7 1751 1 1 2 ALA H H -10.436 -6.803 -0.066 1.00 . A A . 2 ALA H 1 1 7 1752 1 1 2 ALA HA H -9.166 -4.273 0.742 1.00 . A A . 2 ALA HA 1 1 7 1753 1 1 2 ALA HB1 H -8.411 -7.195 1.095 1.00 . A A . 2 ALA HB1 1 1 7 1754 1 1 2 ALA HB2 H -9.314 -6.221 2.253 1.00 . A A . 2 ALA HB2 1 1 7 1755 1 1 2 ALA HB3 H -7.626 -5.847 1.912 1.00 . A A . 2 ALA HB3 1 1 7 1756 1 1 2 ALA N N -10.247 -5.848 -0.188 1.00 . A A . 2 ALA N 1 1 7 1757 1 1 2 ALA O O -7.048 -6.063 -0.814 1.00 . A A . 2 ALA O 1 1 7 1758 1 1 3 THR C C -6.060 -3.057 -2.506 1.00 . A A . 3 THR C 1 1 7 1759 1 1 3 THR CA C -7.049 -4.195 -2.764 1.00 . A A . 3 THR CA 1 1 7 1760 1 1 3 THR CB C -7.884 -3.928 -4.021 1.00 . A A . 3 THR CB 1 1 7 1761 1 1 3 THR CG2 C -7.148 -4.468 -5.244 1.00 . A A . 3 THR CG2 1 1 7 1762 1 1 3 THR H H -8.759 -3.627 -1.585 1.00 . A A . 3 THR H 1 1 7 1763 1 1 3 THR HA H -6.521 -5.130 -2.866 1.00 . A A . 3 THR HA 1 1 7 1764 1 1 3 THR HB H -8.034 -2.865 -4.137 1.00 . A A . 3 THR HB 1 1 7 1765 1 1 3 THR HG1 H -9.835 -3.911 -3.959 1.00 . A A . 3 THR HG1 1 1 7 1766 1 1 3 THR HG21 H -7.267 -5.541 -5.293 1.00 . A A . 3 THR HG21 1 1 7 1767 1 1 3 THR HG22 H -6.099 -4.222 -5.173 1.00 . A A . 3 THR HG22 1 1 7 1768 1 1 3 THR HG23 H -7.562 -4.021 -6.140 1.00 . A A . 3 THR HG23 1 1 7 1769 1 1 3 THR N N -8.033 -4.280 -1.645 1.00 . A A . 3 THR N 1 1 7 1770 1 1 3 THR O O -4.867 -3.278 -2.459 1.00 . A A . 3 THR O 1 1 7 1771 1 1 3 THR OG1 O -9.146 -4.585 -3.907 1.00 . A A . 3 THR OG1 1 1 7 1772 1 1 4 LEU C C -4.772 -0.999 -0.831 1.00 . A A . 4 LEU C 1 1 7 1773 1 1 4 LEU CA C -5.619 -0.702 -2.065 1.00 . A A . 4 LEU CA 1 1 7 1774 1 1 4 LEU CB C -6.521 0.511 -1.810 1.00 . A A . 4 LEU CB 1 1 7 1775 1 1 4 LEU CD1 C -7.766 2.406 -2.848 1.00 . A A . 4 LEU CD1 1 1 7 1776 1 1 4 LEU CD2 C -5.570 1.696 -3.807 1.00 . A A . 4 LEU CD2 1 1 7 1777 1 1 4 LEU CG C -6.858 1.210 -3.133 1.00 . A A . 4 LEU CG 1 1 7 1778 1 1 4 LEU H H -7.512 -1.697 -2.366 1.00 . A A . 4 LEU H 1 1 7 1779 1 1 4 LEU HA H -4.989 -0.523 -2.918 1.00 . A A . 4 LEU HA 1 1 7 1780 1 1 4 LEU HB2 H -7.433 0.183 -1.329 1.00 . A A . 4 LEU HB2 1 1 7 1781 1 1 4 LEU HB3 H -6.007 1.204 -1.161 1.00 . A A . 4 LEU HB3 1 1 7 1782 1 1 4 LEU HD11 H -7.168 3.304 -2.786 1.00 . A A . 4 LEU HD11 1 1 7 1783 1 1 4 LEU HD12 H -8.283 2.251 -1.916 1.00 . A A . 4 LEU HD12 1 1 7 1784 1 1 4 LEU HD13 H -8.488 2.506 -3.645 1.00 . A A . 4 LEU HD13 1 1 7 1785 1 1 4 LEU HD21 H -5.368 1.093 -4.679 1.00 . A A . 4 LEU HD21 1 1 7 1786 1 1 4 LEU HD22 H -4.747 1.609 -3.117 1.00 . A A . 4 LEU HD22 1 1 7 1787 1 1 4 LEU HD23 H -5.685 2.731 -4.103 1.00 . A A . 4 LEU HD23 1 1 7 1788 1 1 4 LEU HG H -7.371 0.515 -3.790 1.00 . A A . 4 LEU HG 1 1 7 1789 1 1 4 LEU N N -6.543 -1.847 -2.332 1.00 . A A . 4 LEU N 1 1 7 1790 1 1 4 LEU O O -3.561 -0.882 -0.851 1.00 . A A . 4 LEU O 1 1 7 1791 1 1 5 GLU C C -3.672 -2.865 1.253 1.00 . A A . 5 GLU C 1 1 7 1792 1 1 5 GLU CA C -4.653 -1.704 1.487 1.00 . A A . 5 GLU CA 1 1 7 1793 1 1 5 GLU CB C -5.715 -2.087 2.538 1.00 . A A . 5 GLU CB 1 1 7 1794 1 1 5 GLU CD C -8.034 -2.371 1.625 1.00 . A A . 5 GLU CD 1 1 7 1795 1 1 5 GLU CG C -6.731 -3.094 1.968 1.00 . A A . 5 GLU CG 1 1 7 1796 1 1 5 GLU H H -6.383 -1.470 0.220 1.00 . A A . 5 GLU H 1 1 7 1797 1 1 5 GLU HA H -4.115 -0.830 1.820 1.00 . A A . 5 GLU HA 1 1 7 1798 1 1 5 GLU HB2 H -5.220 -2.525 3.388 1.00 . A A . 5 GLU HB2 1 1 7 1799 1 1 5 GLU HB3 H -6.238 -1.197 2.852 1.00 . A A . 5 GLU HB3 1 1 7 1800 1 1 5 GLU HG2 H -6.331 -3.555 1.079 1.00 . A A . 5 GLU HG2 1 1 7 1801 1 1 5 GLU HG3 H -6.932 -3.857 2.705 1.00 . A A . 5 GLU HG3 1 1 7 1802 1 1 5 GLU N N -5.405 -1.387 0.240 1.00 . A A . 5 GLU N 1 1 7 1803 1 1 5 GLU O O -2.590 -2.890 1.810 1.00 . A A . 5 GLU O 1 1 7 1804 1 1 5 GLU OE1 O -8.095 -1.774 0.566 1.00 . A A . 5 GLU OE1 1 1 7 1805 1 1 5 GLU OE2 O -8.947 -2.427 2.423 1.00 . A A . 5 GLU OE2 1 1 7 1806 1 1 6 LYS C C -2.009 -4.546 -0.794 1.00 . A A . 6 LYS C 1 1 7 1807 1 1 6 LYS CA C -3.099 -4.963 0.186 1.00 . A A . 6 LYS CA 1 1 7 1808 1 1 6 LYS CB C -3.958 -6.090 -0.395 1.00 . A A . 6 LYS CB 1 1 7 1809 1 1 6 LYS CD C -4.226 -7.918 1.297 1.00 . A A . 6 LYS CD 1 1 7 1810 1 1 6 LYS CE C -3.997 -9.423 1.520 1.00 . A A . 6 LYS CE 1 1 7 1811 1 1 6 LYS CG C -3.417 -7.443 0.086 1.00 . A A . 6 LYS CG 1 1 7 1812 1 1 6 LYS H H -4.897 -3.792 -0.015 1.00 . A A . 6 LYS H 1 1 7 1813 1 1 6 LYS HA H -2.652 -5.273 1.109 1.00 . A A . 6 LYS HA 1 1 7 1814 1 1 6 LYS HB2 H -4.982 -5.966 -0.072 1.00 . A A . 6 LYS HB2 1 1 7 1815 1 1 6 LYS HB3 H -3.915 -6.053 -1.472 1.00 . A A . 6 LYS HB3 1 1 7 1816 1 1 6 LYS HD2 H -3.915 -7.369 2.173 1.00 . A A . 6 LYS HD2 1 1 7 1817 1 1 6 LYS HD3 H -5.277 -7.742 1.119 1.00 . A A . 6 LYS HD3 1 1 7 1818 1 1 6 LYS HE2 H -4.687 -9.795 2.266 1.00 . A A . 6 LYS HE2 1 1 7 1819 1 1 6 LYS HE3 H -4.121 -9.966 0.595 1.00 . A A . 6 LYS HE3 1 1 7 1820 1 1 6 LYS HG2 H -3.498 -8.168 -0.712 1.00 . A A . 6 LYS HG2 1 1 7 1821 1 1 6 LYS HG3 H -2.382 -7.335 0.371 1.00 . A A . 6 LYS HG3 1 1 7 1822 1 1 6 LYS HZ1 H -2.361 -10.548 2.157 1.00 . A A . 6 LYS HZ1 1 1 7 1823 1 1 6 LYS HZ2 H -2.480 -9.032 2.896 1.00 . A A . 6 LYS HZ2 1 1 7 1824 1 1 6 LYS HZ3 H -1.938 -9.150 1.293 1.00 . A A . 6 LYS HZ3 1 1 7 1825 1 1 6 LYS N N -4.028 -3.824 0.434 1.00 . A A . 6 LYS N 1 1 7 1826 1 1 6 LYS NZ N -2.589 -9.547 2.002 1.00 . A A . 6 LYS NZ 1 1 7 1827 1 1 6 LYS O O -0.836 -4.761 -0.543 1.00 . A A . 6 LYS O 1 1 7 1828 1 1 7 LEU C C -0.344 -2.541 -2.114 1.00 . A A . 7 LEU C 1 1 7 1829 1 1 7 LEU CA C -1.327 -3.467 -2.848 1.00 . A A . 7 LEU CA 1 1 7 1830 1 1 7 LEU CB C -2.078 -2.732 -3.983 1.00 . A A . 7 LEU CB 1 1 7 1831 1 1 7 LEU CD1 C -0.642 -0.734 -4.485 1.00 . A A . 7 LEU CD1 1 1 7 1832 1 1 7 LEU CD2 C -3.121 -0.531 -4.555 1.00 . A A . 7 LEU CD2 1 1 7 1833 1 1 7 LEU CG C -1.949 -1.206 -3.842 1.00 . A A . 7 LEU CG 1 1 7 1834 1 1 7 LEU H H -3.322 -3.734 -2.059 1.00 . A A . 7 LEU H 1 1 7 1835 1 1 7 LEU HA H -0.804 -4.321 -3.247 1.00 . A A . 7 LEU HA 1 1 7 1836 1 1 7 LEU HB2 H -1.663 -3.034 -4.931 1.00 . A A . 7 LEU HB2 1 1 7 1837 1 1 7 LEU HB3 H -3.123 -3.008 -3.951 1.00 . A A . 7 LEU HB3 1 1 7 1838 1 1 7 LEU HD11 H -0.224 0.073 -3.899 1.00 . A A . 7 LEU HD11 1 1 7 1839 1 1 7 LEU HD12 H -0.839 -0.386 -5.489 1.00 . A A . 7 LEU HD12 1 1 7 1840 1 1 7 LEU HD13 H 0.060 -1.553 -4.518 1.00 . A A . 7 LEU HD13 1 1 7 1841 1 1 7 LEU HD21 H -3.233 0.479 -4.188 1.00 . A A . 7 LEU HD21 1 1 7 1842 1 1 7 LEU HD22 H -4.025 -1.086 -4.365 1.00 . A A . 7 LEU HD22 1 1 7 1843 1 1 7 LEU HD23 H -2.931 -0.508 -5.618 1.00 . A A . 7 LEU HD23 1 1 7 1844 1 1 7 LEU HG H -1.956 -0.934 -2.798 1.00 . A A . 7 LEU HG 1 1 7 1845 1 1 7 LEU N N -2.371 -3.921 -1.887 1.00 . A A . 7 LEU N 1 1 7 1846 1 1 7 LEU O O 0.772 -2.337 -2.553 1.00 . A A . 7 LEU O 1 1 7 1847 1 1 8 MET C C 1.116 -1.946 0.615 1.00 . A A . 8 MET C 1 1 7 1848 1 1 8 MET CA C 0.161 -1.099 -0.215 1.00 . A A . 8 MET CA 1 1 7 1849 1 1 8 MET CB C -0.742 -0.242 0.680 1.00 . A A . 8 MET CB 1 1 7 1850 1 1 8 MET CE C 1.221 1.968 1.005 1.00 . A A . 8 MET CE 1 1 7 1851 1 1 8 MET CG C -1.127 1.041 -0.062 1.00 . A A . 8 MET CG 1 1 7 1852 1 1 8 MET H H -1.648 -2.197 -0.633 1.00 . A A . 8 MET H 1 1 7 1853 1 1 8 MET HA H 0.723 -0.468 -0.891 1.00 . A A . 8 MET HA 1 1 7 1854 1 1 8 MET HB2 H -1.638 -0.796 0.934 1.00 . A A . 8 MET HB2 1 1 7 1855 1 1 8 MET HB3 H -0.212 0.014 1.583 1.00 . A A . 8 MET HB3 1 1 7 1856 1 1 8 MET HE1 H 2.038 2.680 0.957 1.00 . A A . 8 MET HE1 1 1 7 1857 1 1 8 MET HE2 H 1.608 0.987 1.241 1.00 . A A . 8 MET HE2 1 1 7 1858 1 1 8 MET HE3 H 0.526 2.272 1.771 1.00 . A A . 8 MET HE3 1 1 7 1859 1 1 8 MET HG2 H -1.728 0.785 -0.926 1.00 . A A . 8 MET HG2 1 1 7 1860 1 1 8 MET HG3 H -1.698 1.682 0.595 1.00 . A A . 8 MET HG3 1 1 7 1861 1 1 8 MET N N -0.750 -1.996 -0.984 1.00 . A A . 8 MET N 1 1 7 1862 1 1 8 MET O O 2.313 -1.811 0.502 1.00 . A A . 8 MET O 1 1 7 1863 1 1 8 MET SD S 0.372 1.912 -0.599 1.00 . A A . 8 MET SD 1 1 7 1864 1 1 9 LYS C C 2.391 -4.503 1.236 1.00 . A A . 9 LYS C 1 1 7 1865 1 1 9 LYS CA C 1.525 -3.723 2.213 1.00 . A A . 9 LYS CA 1 1 7 1866 1 1 9 LYS CB C 0.613 -4.652 3.020 1.00 . A A . 9 LYS CB 1 1 7 1867 1 1 9 LYS CD C 0.819 -4.027 5.440 1.00 . A A . 9 LYS CD 1 1 7 1868 1 1 9 LYS CE C 1.973 -3.758 6.421 1.00 . A A . 9 LYS CE 1 1 7 1869 1 1 9 LYS CG C 1.280 -5.004 4.354 1.00 . A A . 9 LYS CG 1 1 7 1870 1 1 9 LYS H H -0.358 -2.969 1.482 1.00 . A A . 9 LYS H 1 1 7 1871 1 1 9 LYS HA H 2.144 -3.132 2.862 1.00 . A A . 9 LYS HA 1 1 7 1872 1 1 9 LYS HB2 H -0.330 -4.160 3.205 1.00 . A A . 9 LYS HB2 1 1 7 1873 1 1 9 LYS HB3 H 0.438 -5.555 2.460 1.00 . A A . 9 LYS HB3 1 1 7 1874 1 1 9 LYS HD2 H 0.512 -3.102 4.978 1.00 . A A . 9 LYS HD2 1 1 7 1875 1 1 9 LYS HD3 H -0.016 -4.455 5.977 1.00 . A A . 9 LYS HD3 1 1 7 1876 1 1 9 LYS HE2 H 1.960 -4.489 7.220 1.00 . A A . 9 LYS HE2 1 1 7 1877 1 1 9 LYS HE3 H 2.920 -3.786 5.904 1.00 . A A . 9 LYS HE3 1 1 7 1878 1 1 9 LYS HG2 H 1.007 -6.012 4.635 1.00 . A A . 9 LYS HG2 1 1 7 1879 1 1 9 LYS HG3 H 2.352 -4.942 4.247 1.00 . A A . 9 LYS HG3 1 1 7 1880 1 1 9 LYS HZ1 H 2.602 -1.830 6.907 1.00 . A A . 9 LYS HZ1 1 1 7 1881 1 1 9 LYS HZ2 H 1.441 -2.455 7.964 1.00 . A A . 9 LYS HZ2 1 1 7 1882 1 1 9 LYS HZ3 H 0.982 -1.910 6.422 1.00 . A A . 9 LYS HZ3 1 1 7 1883 1 1 9 LYS N N 0.610 -2.848 1.422 1.00 . A A . 9 LYS N 1 1 7 1884 1 1 9 LYS NZ N 1.729 -2.386 6.966 1.00 . A A . 9 LYS NZ 1 1 7 1885 1 1 9 LYS O O 3.585 -4.633 1.419 1.00 . A A . 9 LYS O 1 1 7 1886 1 1 10 ALA C C 3.727 -4.823 -1.294 1.00 . A A . 10 ALA C 1 1 7 1887 1 1 10 ALA CA C 2.577 -5.680 -0.883 1.00 . A A . 10 ALA CA 1 1 7 1888 1 1 10 ALA CB C 1.664 -5.683 -2.094 1.00 . A A . 10 ALA CB 1 1 7 1889 1 1 10 ALA H H 0.842 -4.798 0.040 1.00 . A A . 10 ALA H 1 1 7 1890 1 1 10 ALA HA H 2.880 -6.672 -0.593 1.00 . A A . 10 ALA HA 1 1 7 1891 1 1 10 ALA HB1 H 1.148 -4.727 -2.138 1.00 . A A . 10 ALA HB1 1 1 7 1892 1 1 10 ALA HB2 H 0.956 -6.476 -2.027 1.00 . A A . 10 ALA HB2 1 1 7 1893 1 1 10 ALA HB3 H 2.267 -5.785 -2.990 1.00 . A A . 10 ALA HB3 1 1 7 1894 1 1 10 ALA N N 1.801 -4.964 0.170 1.00 . A A . 10 ALA N 1 1 7 1895 1 1 10 ALA O O 4.877 -5.208 -1.320 1.00 . A A . 10 ALA O 1 1 7 1896 1 1 11 PHE C C 5.230 -2.191 -1.121 1.00 . A A . 11 PHE C 1 1 7 1897 1 1 11 PHE CA C 4.308 -2.688 -2.179 1.00 . A A . 11 PHE CA 1 1 7 1898 1 1 11 PHE CB C 3.477 -1.544 -2.648 1.00 . A A . 11 PHE CB 1 1 7 1899 1 1 11 PHE CD1 C 4.877 -0.877 -4.536 1.00 . A A . 11 PHE CD1 1 1 7 1900 1 1 11 PHE CD2 C 4.875 0.459 -2.526 1.00 . A A . 11 PHE CD2 1 1 7 1901 1 1 11 PHE CE1 C 5.797 -0.006 -5.131 1.00 . A A . 11 PHE CE1 1 1 7 1902 1 1 11 PHE CE2 C 5.792 1.349 -3.101 1.00 . A A . 11 PHE CE2 1 1 7 1903 1 1 11 PHE CG C 4.433 -0.623 -3.258 1.00 . A A . 11 PHE CG 1 1 7 1904 1 1 11 PHE CZ C 6.252 1.118 -4.416 1.00 . A A . 11 PHE CZ 1 1 7 1905 1 1 11 PHE H H 2.401 -3.420 -1.673 1.00 . A A . 11 PHE H 1 1 7 1906 1 1 11 PHE HA H 4.855 -3.083 -2.992 1.00 . A A . 11 PHE HA 1 1 7 1907 1 1 11 PHE HB2 H 2.750 -1.873 -3.366 1.00 . A A . 11 PHE HB2 1 1 7 1908 1 1 11 PHE HB3 H 2.988 -1.065 -1.814 1.00 . A A . 11 PHE HB3 1 1 7 1909 1 1 11 PHE HD1 H 4.525 -1.782 -5.051 1.00 . A A . 11 PHE HD1 1 1 7 1910 1 1 11 PHE HD2 H 4.519 0.587 -1.498 1.00 . A A . 11 PHE HD2 1 1 7 1911 1 1 11 PHE HE1 H 6.146 -0.188 -6.137 1.00 . A A . 11 PHE HE1 1 1 7 1912 1 1 11 PHE HE2 H 6.148 2.205 -2.541 1.00 . A A . 11 PHE HE2 1 1 7 1913 1 1 11 PHE HZ H 6.959 1.797 -4.868 1.00 . A A . 11 PHE HZ 1 1 7 1914 1 1 11 PHE N N 3.356 -3.650 -1.678 1.00 . A A . 11 PHE N 1 1 7 1915 1 1 11 PHE O O 6.432 -2.232 -1.274 1.00 . A A . 11 PHE O 1 1 7 1916 1 1 12 GLU C C 6.577 -2.246 1.319 1.00 . A A . 12 GLU C 1 1 7 1917 1 1 12 GLU CA C 5.578 -1.141 0.960 1.00 . A A . 12 GLU CA 1 1 7 1918 1 1 12 GLU CB C 4.681 -0.775 2.140 1.00 . A A . 12 GLU CB 1 1 7 1919 1 1 12 GLU CD C 4.396 1.269 3.548 1.00 . A A . 12 GLU CD 1 1 7 1920 1 1 12 GLU CG C 4.371 0.726 2.122 1.00 . A A . 12 GLU CG 1 1 7 1921 1 1 12 GLU H H 3.716 -1.618 0.007 1.00 . A A . 12 GLU H 1 1 7 1922 1 1 12 GLU HA H 6.073 -0.271 0.546 1.00 . A A . 12 GLU HA 1 1 7 1923 1 1 12 GLU HB2 H 3.759 -1.331 2.074 1.00 . A A . 12 GLU HB2 1 1 7 1924 1 1 12 GLU HB3 H 5.182 -1.025 3.061 1.00 . A A . 12 GLU HB3 1 1 7 1925 1 1 12 GLU HG2 H 5.109 1.239 1.522 1.00 . A A . 12 GLU HG2 1 1 7 1926 1 1 12 GLU HG3 H 3.391 0.881 1.696 1.00 . A A . 12 GLU HG3 1 1 7 1927 1 1 12 GLU N N 4.695 -1.675 -0.076 1.00 . A A . 12 GLU N 1 1 7 1928 1 1 12 GLU O O 7.733 -2.002 1.601 1.00 . A A . 12 GLU O 1 1 7 1929 1 1 12 GLU OE1 O 5.372 1.029 4.238 1.00 . A A . 12 GLU OE1 1 1 7 1930 1 1 12 GLU OE2 O 3.441 1.914 3.931 1.00 . A A . 12 GLU OE2 1 1 7 1931 1 1 13 SER C C 8.194 -4.567 0.490 1.00 . A A . 13 SER C 1 1 7 1932 1 1 13 SER CA C 7.041 -4.614 1.513 1.00 . A A . 13 SER CA 1 1 7 1933 1 1 13 SER CB C 6.167 -5.863 1.337 1.00 . A A . 13 SER CB 1 1 7 1934 1 1 13 SER H H 5.193 -3.641 1.002 1.00 . A A . 13 SER H 1 1 7 1935 1 1 13 SER HA H 7.425 -4.559 2.509 1.00 . A A . 13 SER HA 1 1 7 1936 1 1 13 SER HB2 H 5.488 -5.721 0.511 1.00 . A A . 13 SER HB2 1 1 7 1937 1 1 13 SER HB3 H 6.788 -6.718 1.143 1.00 . A A . 13 SER HB3 1 1 7 1938 1 1 13 SER HG H 4.527 -5.700 2.371 1.00 . A A . 13 SER HG 1 1 7 1939 1 1 13 SER N N 6.130 -3.474 1.254 1.00 . A A . 13 SER N 1 1 7 1940 1 1 13 SER O O 9.334 -4.822 0.817 1.00 . A A . 13 SER O 1 1 7 1941 1 1 13 SER OG O 5.411 -6.067 2.525 1.00 . A A . 13 SER OG 1 1 7 1942 1 1 14 LEU C C 9.828 -2.829 -1.374 1.00 . A A . 14 LEU C 1 1 7 1943 1 1 14 LEU CA C 8.986 -4.015 -1.761 1.00 . A A . 14 LEU CA 1 1 7 1944 1 1 14 LEU CB C 8.276 -3.723 -3.078 1.00 . A A . 14 LEU CB 1 1 7 1945 1 1 14 LEU CD1 C 6.082 -4.320 -3.985 1.00 . A A . 14 LEU CD1 1 1 7 1946 1 1 14 LEU CD2 C 8.060 -5.718 -4.585 1.00 . A A . 14 LEU CD2 1 1 7 1947 1 1 14 LEU CG C 7.389 -4.894 -3.476 1.00 . A A . 14 LEU CG 1 1 7 1948 1 1 14 LEU H H 6.998 -3.884 -0.939 1.00 . A A . 14 LEU H 1 1 7 1949 1 1 14 LEU HA H 9.581 -4.901 -1.828 1.00 . A A . 14 LEU HA 1 1 7 1950 1 1 14 LEU HB2 H 7.660 -2.842 -2.956 1.00 . A A . 14 LEU HB2 1 1 7 1951 1 1 14 LEU HB3 H 9.006 -3.545 -3.850 1.00 . A A . 14 LEU HB3 1 1 7 1952 1 1 14 LEU HD11 H 6.138 -3.236 -3.963 1.00 . A A . 14 LEU HD11 1 1 7 1953 1 1 14 LEU HD12 H 5.275 -4.648 -3.347 1.00 . A A . 14 LEU HD12 1 1 7 1954 1 1 14 LEU HD13 H 5.905 -4.649 -4.990 1.00 . A A . 14 LEU HD13 1 1 7 1955 1 1 14 LEU HD21 H 9.131 -5.606 -4.521 1.00 . A A . 14 LEU HD21 1 1 7 1956 1 1 14 LEU HD22 H 7.717 -5.377 -5.551 1.00 . A A . 14 LEU HD22 1 1 7 1957 1 1 14 LEU HD23 H 7.804 -6.760 -4.464 1.00 . A A . 14 LEU HD23 1 1 7 1958 1 1 14 LEU HG H 7.195 -5.515 -2.614 1.00 . A A . 14 LEU HG 1 1 7 1959 1 1 14 LEU N N 7.911 -4.159 -0.725 1.00 . A A . 14 LEU N 1 1 7 1960 1 1 14 LEU O O 11.033 -2.852 -1.424 1.00 . A A . 14 LEU O 1 1 7 1961 1 1 15 LYS C C 10.855 -1.137 0.617 1.00 . A A . 15 LYS C 1 1 7 1962 1 1 15 LYS CA C 9.868 -0.623 -0.433 1.00 . A A . 15 LYS CA 1 1 7 1963 1 1 15 LYS CB C 8.686 0.143 0.159 1.00 . A A . 15 LYS CB 1 1 7 1964 1 1 15 LYS CD C 7.975 1.713 1.952 1.00 . A A . 15 LYS CD 1 1 7 1965 1 1 15 LYS CE C 8.361 2.340 3.297 1.00 . A A . 15 LYS CE 1 1 7 1966 1 1 15 LYS CG C 8.975 0.611 1.574 1.00 . A A . 15 LYS CG 1 1 7 1967 1 1 15 LYS H H 8.203 -1.858 -0.846 1.00 . A A . 15 LYS H 1 1 7 1968 1 1 15 LYS HA H 10.351 -0.076 -1.228 1.00 . A A . 15 LYS HA 1 1 7 1969 1 1 15 LYS HB2 H 8.461 0.972 -0.458 1.00 . A A . 15 LYS HB2 1 1 7 1970 1 1 15 LYS HB3 H 7.827 -0.517 0.179 1.00 . A A . 15 LYS HB3 1 1 7 1971 1 1 15 LYS HD2 H 7.978 2.479 1.187 1.00 . A A . 15 LYS HD2 1 1 7 1972 1 1 15 LYS HD3 H 6.985 1.286 2.028 1.00 . A A . 15 LYS HD3 1 1 7 1973 1 1 15 LYS HE2 H 9.430 2.489 3.345 1.00 . A A . 15 LYS HE2 1 1 7 1974 1 1 15 LYS HE3 H 7.846 3.278 3.434 1.00 . A A . 15 LYS HE3 1 1 7 1975 1 1 15 LYS HG2 H 8.866 -0.231 2.246 1.00 . A A . 15 LYS HG2 1 1 7 1976 1 1 15 LYS HG3 H 9.979 0.991 1.623 1.00 . A A . 15 LYS HG3 1 1 7 1977 1 1 15 LYS HZ1 H 8.400 0.458 4.187 1.00 . A A . 15 LYS HZ1 1 1 7 1978 1 1 15 LYS HZ2 H 6.880 1.217 4.259 1.00 . A A . 15 LYS HZ2 1 1 7 1979 1 1 15 LYS HZ3 H 8.152 1.730 5.279 1.00 . A A . 15 LYS HZ3 1 1 7 1980 1 1 15 LYS N N 9.175 -1.813 -0.923 1.00 . A A . 15 LYS N 1 1 7 1981 1 1 15 LYS NZ N 7.921 1.361 4.332 1.00 . A A . 15 LYS NZ 1 1 7 1982 1 1 15 LYS O O 12.017 -0.770 0.670 1.00 . A A . 15 LYS O 1 1 7 1983 1 1 16 SER C C 12.305 -3.560 1.903 1.00 . A A . 16 SER C 1 1 7 1984 1 1 16 SER CA C 11.161 -2.700 2.482 1.00 . A A . 16 SER CA 1 1 7 1985 1 1 16 SER CB C 10.158 -3.593 3.223 1.00 . A A . 16 SER CB 1 1 7 1986 1 1 16 SER H H 9.415 -2.280 1.293 1.00 . A A . 16 SER H 1 1 7 1987 1 1 16 SER HA H 11.556 -1.972 3.158 1.00 . A A . 16 SER HA 1 1 7 1988 1 1 16 SER HB2 H 9.295 -3.773 2.598 1.00 . A A . 16 SER HB2 1 1 7 1989 1 1 16 SER HB3 H 10.626 -4.544 3.454 1.00 . A A . 16 SER HB3 1 1 7 1990 1 1 16 SER HG H 9.464 -3.623 5.047 1.00 . A A . 16 SER HG 1 1 7 1991 1 1 16 SER N N 10.357 -2.033 1.416 1.00 . A A . 16 SER N 1 1 7 1992 1 1 16 SER O O 13.460 -3.194 1.995 1.00 . A A . 16 SER O 1 1 7 1993 1 1 16 SER OG O 9.745 -2.942 4.425 1.00 . A A . 16 SER OG 1 1 7 1994 1 1 17 PHE C C 13.489 -5.249 -0.621 1.00 . A A . 17 PHE C 1 1 7 1995 1 1 17 PHE CA C 13.069 -5.612 0.811 1.00 . A A . 17 PHE CA 1 1 7 1996 1 1 17 PHE CB C 12.486 -7.037 0.854 1.00 . A A . 17 PHE CB 1 1 7 1997 1 1 17 PHE CD1 C 11.013 -6.863 -1.208 1.00 . A A . 17 PHE CD1 1 1 7 1998 1 1 17 PHE CD2 C 10.006 -7.490 0.908 1.00 . A A . 17 PHE CD2 1 1 7 1999 1 1 17 PHE CE1 C 9.761 -6.957 -1.830 1.00 . A A . 17 PHE CE1 1 1 7 2000 1 1 17 PHE CE2 C 8.759 -7.586 0.284 1.00 . A A . 17 PHE CE2 1 1 7 2001 1 1 17 PHE CG C 11.136 -7.125 0.165 1.00 . A A . 17 PHE CG 1 1 7 2002 1 1 17 PHE CZ C 8.636 -7.316 -1.084 1.00 . A A . 17 PHE CZ 1 1 7 2003 1 1 17 PHE H H 11.058 -4.988 1.311 1.00 . A A . 17 PHE H 1 1 7 2004 1 1 17 PHE HA H 13.930 -5.566 1.462 1.00 . A A . 17 PHE HA 1 1 7 2005 1 1 17 PHE HB2 H 13.167 -7.699 0.361 1.00 . A A . 17 PHE HB2 1 1 7 2006 1 1 17 PHE HB3 H 12.381 -7.341 1.883 1.00 . A A . 17 PHE HB3 1 1 7 2007 1 1 17 PHE HD1 H 11.883 -6.589 -1.788 1.00 . A A . 17 PHE HD1 1 1 7 2008 1 1 17 PHE HD2 H 10.096 -7.691 1.967 1.00 . A A . 17 PHE HD2 1 1 7 2009 1 1 17 PHE HE1 H 9.659 -6.733 -2.883 1.00 . A A . 17 PHE HE1 1 1 7 2010 1 1 17 PHE HE2 H 7.886 -7.860 0.859 1.00 . A A . 17 PHE HE2 1 1 7 2011 1 1 17 PHE HZ H 7.672 -7.390 -1.565 1.00 . A A . 17 PHE HZ 1 1 7 2012 1 1 17 PHE N N 11.994 -4.708 1.349 1.00 . A A . 17 PHE N 1 1 7 2013 1 1 17 PHE O O 14.235 -5.974 -1.250 1.00 . A A . 17 PHE O 1 1 7 2014 1 1 18 NH2 HN1 H 12.456 -3.560 -0.680 1.00 . A A . 18 NH2 HN1 1 1 7 2015 1 1 18 NH2 HN2 H 13.342 -3.925 -2.080 1.00 . A A . 18 NH2 HN2 1 1 7 2016 1 1 18 NH2 N N 13.061 -4.156 -1.172 1.00 . A A . 18 NH2 N 1 1 8 2017 1 1 1 MET C C -2.561 5.644 -0.975 1.00 . A A . 1 MET C 1 1 8 2018 1 1 1 MET CA C -2.406 6.348 0.376 1.00 . A A . 1 MET CA 1 1 8 2019 1 1 1 MET CB C -3.745 6.949 0.819 1.00 . A A . 1 MET CB 1 1 8 2020 1 1 1 MET CE C -2.584 8.700 4.288 1.00 . A A . 1 MET CE 1 1 8 2021 1 1 1 MET CG C -3.723 7.198 2.330 1.00 . A A . 1 MET CG 1 1 8 2022 1 1 1 MET H1 H -0.601 7.185 -0.241 1.00 . A A . 1 MET H1 1 1 8 2023 1 1 1 MET H2 H -1.203 7.839 1.199 1.00 . A A . 1 MET H2 1 1 8 2024 1 1 1 MET H3 H -1.906 8.268 -0.285 1.00 . A A . 1 MET H3 1 1 8 2025 1 1 1 MET HA H -2.053 5.650 1.115 1.00 . A A . 1 MET HA 1 1 8 2026 1 1 1 MET HB2 H -3.914 7.884 0.303 1.00 . A A . 1 MET HB2 1 1 8 2027 1 1 1 MET HB3 H -4.541 6.258 0.583 1.00 . A A . 1 MET HB3 1 1 8 2028 1 1 1 MET HE1 H -3.210 9.162 5.036 1.00 . A A . 1 MET HE1 1 1 8 2029 1 1 1 MET HE2 H -1.600 9.152 4.303 1.00 . A A . 1 MET HE2 1 1 8 2030 1 1 1 MET HE3 H -2.496 7.647 4.500 1.00 . A A . 1 MET HE3 1 1 8 2031 1 1 1 MET HG2 H -4.690 6.965 2.746 1.00 . A A . 1 MET HG2 1 1 8 2032 1 1 1 MET HG3 H -2.972 6.567 2.789 1.00 . A A . 1 MET HG3 1 1 8 2033 1 1 1 MET N N -1.458 7.496 0.253 1.00 . A A . 1 MET N 1 1 8 2034 1 1 1 MET O O -2.414 6.248 -2.022 1.00 . A A . 1 MET O 1 1 8 2035 1 1 1 MET SD S -3.326 8.934 2.651 1.00 . A A . 1 MET SD 1 1 8 2036 1 1 2 ALA C C -4.528 3.621 -2.626 1.00 . A A . 2 ALA C 1 1 8 2037 1 1 2 ALA CA C -3.047 3.627 -2.240 1.00 . A A . 2 ALA CA 1 1 8 2038 1 1 2 ALA CB C -2.558 2.209 -1.952 1.00 . A A . 2 ALA CB 1 1 8 2039 1 1 2 ALA H H -2.995 3.913 -0.102 1.00 . A A . 2 ALA H 1 1 8 2040 1 1 2 ALA HA H -2.454 4.073 -3.021 1.00 . A A . 2 ALA HA 1 1 8 2041 1 1 2 ALA HB1 H -2.258 1.739 -2.877 1.00 . A A . 2 ALA HB1 1 1 8 2042 1 1 2 ALA HB2 H -3.355 1.639 -1.498 1.00 . A A . 2 ALA HB2 1 1 8 2043 1 1 2 ALA HB3 H -1.714 2.250 -1.278 1.00 . A A . 2 ALA HB3 1 1 8 2044 1 1 2 ALA N N -2.869 4.373 -0.959 1.00 . A A . 2 ALA N 1 1 8 2045 1 1 2 ALA O O -5.315 4.363 -2.076 1.00 . A A . 2 ALA O 1 1 8 2046 1 1 3 THR C C -7.135 1.933 -2.929 1.00 . A A . 3 THR C 1 1 8 2047 1 1 3 THR CA C -6.352 2.754 -3.950 1.00 . A A . 3 THR CA 1 1 8 2048 1 1 3 THR CB C -6.367 2.087 -5.330 1.00 . A A . 3 THR CB 1 1 8 2049 1 1 3 THR CG2 C -5.863 3.079 -6.382 1.00 . A A . 3 THR CG2 1 1 8 2050 1 1 3 THR H H -4.291 2.188 -3.984 1.00 . A A . 3 THR H 1 1 8 2051 1 1 3 THR HA H -6.753 3.755 -4.017 1.00 . A A . 3 THR HA 1 1 8 2052 1 1 3 THR HB H -7.374 1.789 -5.572 1.00 . A A . 3 THR HB 1 1 8 2053 1 1 3 THR HG1 H -6.059 0.174 -5.570 1.00 . A A . 3 THR HG1 1 1 8 2054 1 1 3 THR HG21 H -4.915 2.743 -6.772 1.00 . A A . 3 THR HG21 1 1 8 2055 1 1 3 THR HG22 H -5.740 4.051 -5.933 1.00 . A A . 3 THR HG22 1 1 8 2056 1 1 3 THR HG23 H -6.584 3.142 -7.188 1.00 . A A . 3 THR HG23 1 1 8 2057 1 1 3 THR N N -4.925 2.793 -3.554 1.00 . A A . 3 THR N 1 1 8 2058 1 1 3 THR O O -8.081 2.410 -2.326 1.00 . A A . 3 THR O 1 1 8 2059 1 1 3 THR OG1 O -5.521 0.940 -5.322 1.00 . A A . 3 THR OG1 1 1 8 2060 1 1 4 LEU C C -6.579 -0.303 -0.469 1.00 . A A . 4 LEU C 1 1 8 2061 1 1 4 LEU CA C -7.455 -0.129 -1.721 1.00 . A A . 4 LEU CA 1 1 8 2062 1 1 4 LEU CB C -7.744 -1.454 -2.445 1.00 . A A . 4 LEU CB 1 1 8 2063 1 1 4 LEU CD1 C -10.179 -1.276 -1.855 1.00 . A A . 4 LEU CD1 1 1 8 2064 1 1 4 LEU CD2 C -9.207 -3.484 -2.503 1.00 . A A . 4 LEU CD2 1 1 8 2065 1 1 4 LEU CG C -8.933 -2.164 -1.780 1.00 . A A . 4 LEU CG 1 1 8 2066 1 1 4 LEU H H -5.967 0.339 -3.192 1.00 . A A . 4 LEU H 1 1 8 2067 1 1 4 LEU HA H -8.381 0.350 -1.455 1.00 . A A . 4 LEU HA 1 1 8 2068 1 1 4 LEU HB2 H -7.984 -1.248 -3.480 1.00 . A A . 4 LEU HB2 1 1 8 2069 1 1 4 LEU HB3 H -6.874 -2.088 -2.401 1.00 . A A . 4 LEU HB3 1 1 8 2070 1 1 4 LEU HD11 H -10.188 -0.598 -1.014 1.00 . A A . 4 LEU HD11 1 1 8 2071 1 1 4 LEU HD12 H -11.063 -1.895 -1.826 1.00 . A A . 4 LEU HD12 1 1 8 2072 1 1 4 LEU HD13 H -10.168 -0.709 -2.776 1.00 . A A . 4 LEU HD13 1 1 8 2073 1 1 4 LEU HD21 H -10.237 -3.767 -2.360 1.00 . A A . 4 LEU HD21 1 1 8 2074 1 1 4 LEU HD22 H -8.565 -4.255 -2.101 1.00 . A A . 4 LEU HD22 1 1 8 2075 1 1 4 LEU HD23 H -9.007 -3.365 -3.558 1.00 . A A . 4 LEU HD23 1 1 8 2076 1 1 4 LEU HG H -8.698 -2.363 -0.744 1.00 . A A . 4 LEU HG 1 1 8 2077 1 1 4 LEU N N -6.740 0.705 -2.713 1.00 . A A . 4 LEU N 1 1 8 2078 1 1 4 LEU O O -6.406 0.634 0.289 1.00 . A A . 4 LEU O 1 1 8 2079 1 1 5 GLU C C -4.054 -2.659 0.764 1.00 . A A . 5 GLU C 1 1 8 2080 1 1 5 GLU CA C -5.185 -1.647 0.994 1.00 . A A . 5 GLU CA 1 1 8 2081 1 1 5 GLU CB C -6.125 -2.151 2.113 1.00 . A A . 5 GLU CB 1 1 8 2082 1 1 5 GLU CD C -7.552 -4.102 1.481 1.00 . A A . 5 GLU CD 1 1 8 2083 1 1 5 GLU CG C -7.501 -2.584 1.572 1.00 . A A . 5 GLU CG 1 1 8 2084 1 1 5 GLU H H -6.170 -2.221 -0.827 1.00 . A A . 5 GLU H 1 1 8 2085 1 1 5 GLU HA H -4.765 -0.697 1.286 1.00 . A A . 5 GLU HA 1 1 8 2086 1 1 5 GLU HB2 H -5.663 -2.995 2.601 1.00 . A A . 5 GLU HB2 1 1 8 2087 1 1 5 GLU HB3 H -6.261 -1.360 2.834 1.00 . A A . 5 GLU HB3 1 1 8 2088 1 1 5 GLU HG2 H -8.274 -2.239 2.244 1.00 . A A . 5 GLU HG2 1 1 8 2089 1 1 5 GLU HG3 H -7.666 -2.163 0.599 1.00 . A A . 5 GLU HG3 1 1 8 2090 1 1 5 GLU N N -6.025 -1.470 -0.226 1.00 . A A . 5 GLU N 1 1 8 2091 1 1 5 GLU O O -2.894 -2.341 0.925 1.00 . A A . 5 GLU O 1 1 8 2092 1 1 5 GLU OE1 O -7.032 -4.637 0.522 1.00 . A A . 5 GLU OE1 1 1 8 2093 1 1 5 GLU OE2 O -8.108 -4.711 2.375 1.00 . A A . 5 GLU OE2 1 1 8 2094 1 1 6 LYS C C -2.161 -4.454 -0.627 1.00 . A A . 6 LYS C 1 1 8 2095 1 1 6 LYS CA C -3.322 -4.936 0.240 1.00 . A A . 6 LYS CA 1 1 8 2096 1 1 6 LYS CB C -4.033 -6.124 -0.418 1.00 . A A . 6 LYS CB 1 1 8 2097 1 1 6 LYS CD C -2.448 -8.069 -0.355 1.00 . A A . 6 LYS CD 1 1 8 2098 1 1 6 LYS CE C -2.845 -9.417 -0.967 1.00 . A A . 6 LYS CE 1 1 8 2099 1 1 6 LYS CG C -3.663 -7.420 0.317 1.00 . A A . 6 LYS CG 1 1 8 2100 1 1 6 LYS H H -5.332 -4.122 0.336 1.00 . A A . 6 LYS H 1 1 8 2101 1 1 6 LYS HA H -2.938 -5.226 1.201 1.00 . A A . 6 LYS HA 1 1 8 2102 1 1 6 LYS HB2 H -5.103 -5.975 -0.369 1.00 . A A . 6 LYS HB2 1 1 8 2103 1 1 6 LYS HB3 H -3.728 -6.198 -1.452 1.00 . A A . 6 LYS HB3 1 1 8 2104 1 1 6 LYS HD2 H -2.074 -7.418 -1.132 1.00 . A A . 6 LYS HD2 1 1 8 2105 1 1 6 LYS HD3 H -1.675 -8.227 0.382 1.00 . A A . 6 LYS HD3 1 1 8 2106 1 1 6 LYS HE2 H -1.961 -9.958 -1.282 1.00 . A A . 6 LYS HE2 1 1 8 2107 1 1 6 LYS HE3 H -3.412 -10.004 -0.260 1.00 . A A . 6 LYS HE3 1 1 8 2108 1 1 6 LYS HG2 H -3.424 -7.195 1.345 1.00 . A A . 6 LYS HG2 1 1 8 2109 1 1 6 LYS HG3 H -4.499 -8.104 0.288 1.00 . A A . 6 LYS HG3 1 1 8 2110 1 1 6 LYS HZ1 H -3.975 -9.949 -2.630 1.00 . A A . 6 LYS HZ1 1 1 8 2111 1 1 6 LYS HZ2 H -3.152 -8.479 -2.802 1.00 . A A . 6 LYS HZ2 1 1 8 2112 1 1 6 LYS HZ3 H -4.541 -8.565 -1.828 1.00 . A A . 6 LYS HZ3 1 1 8 2113 1 1 6 LYS N N -4.380 -3.881 0.431 1.00 . A A . 6 LYS N 1 1 8 2114 1 1 6 LYS NZ N -3.693 -9.076 -2.143 1.00 . A A . 6 LYS NZ 1 1 8 2115 1 1 6 LYS O O -1.009 -4.726 -0.324 1.00 . A A . 6 LYS O 1 1 8 2116 1 1 7 LEU C C -0.295 -2.459 -1.730 1.00 . A A . 7 LEU C 1 1 8 2117 1 1 7 LEU CA C -1.311 -3.268 -2.558 1.00 . A A . 7 LEU CA 1 1 8 2118 1 1 7 LEU CB C -1.966 -2.397 -3.644 1.00 . A A . 7 LEU CB 1 1 8 2119 1 1 7 LEU CD1 C -0.782 -0.189 -3.521 1.00 . A A . 7 LEU CD1 1 1 8 2120 1 1 7 LEU CD2 C -3.252 -0.275 -3.888 1.00 . A A . 7 LEU CD2 1 1 8 2121 1 1 7 LEU CG C -2.076 -0.940 -3.180 1.00 . A A . 7 LEU CG 1 1 8 2122 1 1 7 LEU H H -3.356 -3.545 -1.925 1.00 . A A . 7 LEU H 1 1 8 2123 1 1 7 LEU HA H -0.818 -4.110 -3.020 1.00 . A A . 7 LEU HA 1 1 8 2124 1 1 7 LEU HB2 H -1.366 -2.437 -4.543 1.00 . A A . 7 LEU HB2 1 1 8 2125 1 1 7 LEU HB3 H -2.952 -2.780 -3.860 1.00 . A A . 7 LEU HB3 1 1 8 2126 1 1 7 LEU HD11 H -0.203 -0.043 -2.620 1.00 . A A . 7 LEU HD11 1 1 8 2127 1 1 7 LEU HD12 H -1.022 0.771 -3.952 1.00 . A A . 7 LEU HD12 1 1 8 2128 1 1 7 LEU HD13 H -0.204 -0.765 -4.230 1.00 . A A . 7 LEU HD13 1 1 8 2129 1 1 7 LEU HD21 H -2.882 0.436 -4.612 1.00 . A A . 7 LEU HD21 1 1 8 2130 1 1 7 LEU HD22 H -3.865 0.238 -3.163 1.00 . A A . 7 LEU HD22 1 1 8 2131 1 1 7 LEU HD23 H -3.840 -1.027 -4.392 1.00 . A A . 7 LEU HD23 1 1 8 2132 1 1 7 LEU HG H -2.237 -0.913 -2.115 1.00 . A A . 7 LEU HG 1 1 8 2133 1 1 7 LEU N N -2.429 -3.750 -1.693 1.00 . A A . 7 LEU N 1 1 8 2134 1 1 7 LEU O O 0.829 -2.257 -2.148 1.00 . A A . 7 LEU O 1 1 8 2135 1 1 8 MET C C 1.272 -2.162 0.945 1.00 . A A . 8 MET C 1 1 8 2136 1 1 8 MET CA C 0.291 -1.214 0.270 1.00 . A A . 8 MET CA 1 1 8 2137 1 1 8 MET CB C -0.552 -0.459 1.309 1.00 . A A . 8 MET CB 1 1 8 2138 1 1 8 MET CE C 0.926 2.316 0.688 1.00 . A A . 8 MET CE 1 1 8 2139 1 1 8 MET CG C -1.271 0.713 0.633 1.00 . A A . 8 MET CG 1 1 8 2140 1 1 8 MET H H -1.580 -2.185 -0.216 1.00 . A A . 8 MET H 1 1 8 2141 1 1 8 MET HA H 0.827 -0.516 -0.357 1.00 . A A . 8 MET HA 1 1 8 2142 1 1 8 MET HB2 H -1.282 -1.132 1.739 1.00 . A A . 8 MET HB2 1 1 8 2143 1 1 8 MET HB3 H 0.091 -0.084 2.089 1.00 . A A . 8 MET HB3 1 1 8 2144 1 1 8 MET HE1 H 1.315 3.321 0.756 1.00 . A A . 8 MET HE1 1 1 8 2145 1 1 8 MET HE2 H 0.895 2.002 -0.344 1.00 . A A . 8 MET HE2 1 1 8 2146 1 1 8 MET HE3 H 1.566 1.648 1.245 1.00 . A A . 8 MET HE3 1 1 8 2147 1 1 8 MET HG2 H -1.028 0.721 -0.418 1.00 . A A . 8 MET HG2 1 1 8 2148 1 1 8 MET HG3 H -2.338 0.600 0.752 1.00 . A A . 8 MET HG3 1 1 8 2149 1 1 8 MET N N -0.672 -2.000 -0.556 1.00 . A A . 8 MET N 1 1 8 2150 1 1 8 MET O O 2.461 -2.023 0.787 1.00 . A A . 8 MET O 1 1 8 2151 1 1 8 MET SD S -0.742 2.272 1.385 1.00 . A A . 8 MET SD 1 1 8 2152 1 1 9 LYS C C 2.550 -4.753 1.205 1.00 . A A . 9 LYS C 1 1 8 2153 1 1 9 LYS CA C 1.731 -4.104 2.308 1.00 . A A . 9 LYS CA 1 1 8 2154 1 1 9 LYS CB C 0.860 -5.130 3.041 1.00 . A A . 9 LYS CB 1 1 8 2155 1 1 9 LYS CD C 2.061 -4.780 5.222 1.00 . A A . 9 LYS CD 1 1 8 2156 1 1 9 LYS CE C 1.672 -5.305 6.612 1.00 . A A . 9 LYS CE 1 1 8 2157 1 1 9 LYS CG C 1.673 -5.809 4.153 1.00 . A A . 9 LYS CG 1 1 8 2158 1 1 9 LYS H H -0.178 -3.260 1.758 1.00 . A A . 9 LYS H 1 1 8 2159 1 1 9 LYS HA H 2.382 -3.594 2.988 1.00 . A A . 9 LYS HA 1 1 8 2160 1 1 9 LYS HB2 H 0.003 -4.634 3.474 1.00 . A A . 9 LYS HB2 1 1 8 2161 1 1 9 LYS HB3 H 0.521 -5.880 2.340 1.00 . A A . 9 LYS HB3 1 1 8 2162 1 1 9 LYS HD2 H 3.130 -4.613 5.187 1.00 . A A . 9 LYS HD2 1 1 8 2163 1 1 9 LYS HD3 H 1.544 -3.849 5.030 1.00 . A A . 9 LYS HD3 1 1 8 2164 1 1 9 LYS HE2 H 1.605 -6.386 6.602 1.00 . A A . 9 LYS HE2 1 1 8 2165 1 1 9 LYS HE3 H 2.391 -4.982 7.352 1.00 . A A . 9 LYS HE3 1 1 8 2166 1 1 9 LYS HG2 H 1.078 -6.591 4.604 1.00 . A A . 9 LYS HG2 1 1 8 2167 1 1 9 LYS HG3 H 2.569 -6.240 3.731 1.00 . A A . 9 LYS HG3 1 1 8 2168 1 1 9 LYS HZ1 H 0.415 -3.663 6.875 1.00 . A A . 9 LYS HZ1 1 1 8 2169 1 1 9 LYS HZ2 H 0.027 -4.996 7.845 1.00 . A A . 9 LYS HZ2 1 1 8 2170 1 1 9 LYS HZ3 H -0.344 -5.020 6.193 1.00 . A A . 9 LYS HZ3 1 1 8 2171 1 1 9 LYS N N 0.791 -3.143 1.665 1.00 . A A . 9 LYS N 1 1 8 2172 1 1 9 LYS NZ N 0.344 -4.702 6.901 1.00 . A A . 9 LYS NZ 1 1 8 2173 1 1 9 LYS O O 3.736 -4.961 1.342 1.00 . A A . 9 LYS O 1 1 8 2174 1 1 10 ALA C C 3.775 -4.674 -1.419 1.00 . A A . 10 ALA C 1 1 8 2175 1 1 10 ALA CA C 2.640 -5.582 -1.077 1.00 . A A . 10 ALA CA 1 1 8 2176 1 1 10 ALA CB C 1.676 -5.443 -2.246 1.00 . A A . 10 ALA CB 1 1 8 2177 1 1 10 ALA H H 0.968 -4.787 0.019 1.00 . A A . 10 ALA H 1 1 8 2178 1 1 10 ALA HA H 2.951 -6.602 -0.925 1.00 . A A . 10 ALA HA 1 1 8 2179 1 1 10 ALA HB1 H 0.861 -4.794 -1.958 1.00 . A A . 10 ALA HB1 1 1 8 2180 1 1 10 ALA HB2 H 1.307 -6.399 -2.538 1.00 . A A . 10 ALA HB2 1 1 8 2181 1 1 10 ALA HB3 H 2.206 -4.982 -3.080 1.00 . A A . 10 ALA HB3 1 1 8 2182 1 1 10 ALA N N 1.920 -5.011 0.094 1.00 . A A . 10 ALA N 1 1 8 2183 1 1 10 ALA O O 4.930 -5.041 -1.468 1.00 . A A . 10 ALA O 1 1 8 2184 1 1 11 PHE C C 5.296 -2.083 -1.063 1.00 . A A . 11 PHE C 1 1 8 2185 1 1 11 PHE CA C 4.337 -2.475 -2.137 1.00 . A A . 11 PHE CA 1 1 8 2186 1 1 11 PHE CB C 3.509 -1.286 -2.467 1.00 . A A . 11 PHE CB 1 1 8 2187 1 1 11 PHE CD1 C 4.887 -0.597 -4.379 1.00 . A A . 11 PHE CD1 1 1 8 2188 1 1 11 PHE CD2 C 4.947 0.700 -2.341 1.00 . A A . 11 PHE CD2 1 1 8 2189 1 1 11 PHE CE1 C 5.815 0.266 -4.972 1.00 . A A . 11 PHE CE1 1 1 8 2190 1 1 11 PHE CE2 C 5.876 1.577 -2.919 1.00 . A A . 11 PHE CE2 1 1 8 2191 1 1 11 PHE CG C 4.467 -0.360 -3.083 1.00 . A A . 11 PHE CG 1 1 8 2192 1 1 11 PHE CZ C 6.307 1.362 -4.242 1.00 . A A . 11 PHE CZ 1 1 8 2193 1 1 11 PHE H H 2.429 -3.264 -1.700 1.00 . A A . 11 PHE H 1 1 8 2194 1 1 11 PHE HA H 4.867 -2.785 -3.003 1.00 . A A . 11 PHE HA 1 1 8 2195 1 1 11 PHE HB2 H 2.715 -1.544 -3.147 1.00 . A A . 11 PHE HB2 1 1 8 2196 1 1 11 PHE HB3 H 3.103 -0.852 -1.568 1.00 . A A . 11 PHE HB3 1 1 8 2197 1 1 11 PHE HD1 H 4.512 -1.484 -4.904 1.00 . A A . 11 PHE HD1 1 1 8 2198 1 1 11 PHE HD2 H 4.611 0.818 -1.309 1.00 . A A . 11 PHE HD2 1 1 8 2199 1 1 11 PHE HE1 H 6.144 0.097 -5.986 1.00 . A A . 11 PHE HE1 1 1 8 2200 1 1 11 PHE HE2 H 6.263 2.413 -2.352 1.00 . A A . 11 PHE HE2 1 1 8 2201 1 1 11 PHE HZ H 7.025 2.034 -4.695 1.00 . A A . 11 PHE HZ 1 1 8 2202 1 1 11 PHE N N 3.390 -3.483 -1.718 1.00 . A A . 11 PHE N 1 1 8 2203 1 1 11 PHE O O 6.492 -2.134 -1.253 1.00 . A A . 11 PHE O 1 1 8 2204 1 1 12 GLU C C 6.711 -2.365 1.330 1.00 . A A . 12 GLU C 1 1 8 2205 1 1 12 GLU CA C 5.737 -1.205 1.078 1.00 . A A . 12 GLU CA 1 1 8 2206 1 1 12 GLU CB C 4.899 -0.864 2.307 1.00 . A A . 12 GLU CB 1 1 8 2207 1 1 12 GLU CD C 5.476 1.324 3.368 1.00 . A A . 12 GLU CD 1 1 8 2208 1 1 12 GLU CG C 4.594 0.640 2.328 1.00 . A A . 12 GLU CG 1 1 8 2209 1 1 12 GLU H H 3.831 -1.565 0.161 1.00 . A A . 12 GLU H 1 1 8 2210 1 1 12 GLU HA H 6.254 -0.329 0.693 1.00 . A A . 12 GLU HA 1 1 8 2211 1 1 12 GLU HB2 H 3.973 -1.418 2.276 1.00 . A A . 12 GLU HB2 1 1 8 2212 1 1 12 GLU HB3 H 5.448 -1.133 3.192 1.00 . A A . 12 GLU HB3 1 1 8 2213 1 1 12 GLU HG2 H 4.788 1.062 1.352 1.00 . A A . 12 GLU HG2 1 1 8 2214 1 1 12 GLU HG3 H 3.554 0.792 2.582 1.00 . A A . 12 GLU HG3 1 1 8 2215 1 1 12 GLU N N 4.803 -1.638 0.040 1.00 . A A . 12 GLU N 1 1 8 2216 1 1 12 GLU O O 7.875 -2.170 1.613 1.00 . A A . 12 GLU O 1 1 8 2217 1 1 12 GLU OE1 O 5.107 1.313 4.526 1.00 . A A . 12 GLU OE1 1 1 8 2218 1 1 12 GLU OE2 O 6.508 1.849 2.992 1.00 . A A . 12 GLU OE2 1 1 8 2219 1 1 13 SER C C 8.281 -4.626 0.261 1.00 . A A . 13 SER C 1 1 8 2220 1 1 13 SER CA C 7.151 -4.753 1.309 1.00 . A A . 13 SER CA 1 1 8 2221 1 1 13 SER CB C 6.276 -5.989 1.028 1.00 . A A . 13 SER CB 1 1 8 2222 1 1 13 SER H H 5.302 -3.716 0.911 1.00 . A A . 13 SER H 1 1 8 2223 1 1 13 SER HA H 7.557 -4.794 2.299 1.00 . A A . 13 SER HA 1 1 8 2224 1 1 13 SER HB2 H 5.502 -5.735 0.323 1.00 . A A . 13 SER HB2 1 1 8 2225 1 1 13 SER HB3 H 6.886 -6.777 0.609 1.00 . A A . 13 SER HB3 1 1 8 2226 1 1 13 SER HG H 4.776 -6.060 2.266 1.00 . A A . 13 SER HG 1 1 8 2227 1 1 13 SER N N 6.243 -3.582 1.166 1.00 . A A . 13 SER N 1 1 8 2228 1 1 13 SER O O 9.424 -4.935 0.527 1.00 . A A . 13 SER O 1 1 8 2229 1 1 13 SER OG O 5.669 -6.429 2.238 1.00 . A A . 13 SER OG 1 1 8 2230 1 1 14 LEU C C 9.933 -2.805 -1.476 1.00 . A A . 14 LEU C 1 1 8 2231 1 1 14 LEU CA C 9.028 -3.909 -1.953 1.00 . A A . 14 LEU CA 1 1 8 2232 1 1 14 LEU CB C 8.287 -3.479 -3.214 1.00 . A A . 14 LEU CB 1 1 8 2233 1 1 14 LEU CD1 C 6.057 -3.994 -4.127 1.00 . A A . 14 LEU CD1 1 1 8 2234 1 1 14 LEU CD2 C 8.017 -5.322 -4.882 1.00 . A A . 14 LEU CD2 1 1 8 2235 1 1 14 LEU CG C 7.376 -4.603 -3.694 1.00 . A A . 14 LEU CG 1 1 8 2236 1 1 14 LEU H H 7.063 -3.803 -1.071 1.00 . A A . 14 LEU H 1 1 8 2237 1 1 14 LEU HA H 9.586 -4.804 -2.117 1.00 . A A . 14 LEU HA 1 1 8 2238 1 1 14 LEU HB2 H 7.689 -2.604 -2.992 1.00 . A A . 14 LEU HB2 1 1 8 2239 1 1 14 LEU HB3 H 8.997 -3.239 -3.985 1.00 . A A . 14 LEU HB3 1 1 8 2240 1 1 14 LEU HD11 H 5.844 -4.275 -5.143 1.00 . A A . 14 LEU HD11 1 1 8 2241 1 1 14 LEU HD12 H 6.123 -2.918 -4.057 1.00 . A A . 14 LEU HD12 1 1 8 2242 1 1 14 LEU HD13 H 5.268 -4.348 -3.479 1.00 . A A . 14 LEU HD13 1 1 8 2243 1 1 14 LEU HD21 H 7.664 -4.877 -5.800 1.00 . A A . 14 LEU HD21 1 1 8 2244 1 1 14 LEU HD22 H 7.741 -6.366 -4.861 1.00 . A A . 14 LEU HD22 1 1 8 2245 1 1 14 LEU HD23 H 9.090 -5.230 -4.826 1.00 . A A . 14 LEU HD23 1 1 8 2246 1 1 14 LEU HG H 7.205 -5.304 -2.888 1.00 . A A . 14 LEU HG 1 1 8 2247 1 1 14 LEU N N 7.975 -4.111 -0.905 1.00 . A A . 14 LEU N 1 1 8 2248 1 1 14 LEU O O 11.140 -2.870 -1.573 1.00 . A A . 14 LEU O 1 1 8 2249 1 1 15 LYS C C 10.993 -1.350 0.738 1.00 . A A . 15 LYS C 1 1 8 2250 1 1 15 LYS CA C 10.064 -0.713 -0.296 1.00 . A A . 15 LYS CA 1 1 8 2251 1 1 15 LYS CB C 8.903 0.063 0.332 1.00 . A A . 15 LYS CB 1 1 8 2252 1 1 15 LYS CD C 9.512 2.039 1.751 1.00 . A A . 15 LYS CD 1 1 8 2253 1 1 15 LYS CE C 9.969 2.479 3.151 1.00 . A A . 15 LYS CE 1 1 8 2254 1 1 15 LYS CG C 9.226 0.529 1.745 1.00 . A A . 15 LYS CG 1 1 8 2255 1 1 15 LYS H H 8.355 -1.856 -0.794 1.00 . A A . 15 LYS H 1 1 8 2256 1 1 15 LYS HA H 10.589 -0.130 -1.032 1.00 . A A . 15 LYS HA 1 1 8 2257 1 1 15 LYS HB2 H 8.661 0.895 -0.280 1.00 . A A . 15 LYS HB2 1 1 8 2258 1 1 15 LYS HB3 H 8.039 -0.592 0.371 1.00 . A A . 15 LYS HB3 1 1 8 2259 1 1 15 LYS HD2 H 10.293 2.258 1.035 1.00 . A A . 15 LYS HD2 1 1 8 2260 1 1 15 LYS HD3 H 8.618 2.579 1.481 1.00 . A A . 15 LYS HD3 1 1 8 2261 1 1 15 LYS HE2 H 10.894 1.985 3.414 1.00 . A A . 15 LYS HE2 1 1 8 2262 1 1 15 LYS HE3 H 10.099 3.551 3.181 1.00 . A A . 15 LYS HE3 1 1 8 2263 1 1 15 LYS HG2 H 8.376 0.318 2.375 1.00 . A A . 15 LYS HG2 1 1 8 2264 1 1 15 LYS HG3 H 10.084 -0.006 2.111 1.00 . A A . 15 LYS HG3 1 1 8 2265 1 1 15 LYS HZ1 H 9.077 1.126 4.459 1.00 . A A . 15 LYS HZ1 1 1 8 2266 1 1 15 LYS HZ2 H 7.954 2.067 3.589 1.00 . A A . 15 LYS HZ2 1 1 8 2267 1 1 15 LYS HZ3 H 8.838 2.749 4.880 1.00 . A A . 15 LYS HZ3 1 1 8 2268 1 1 15 LYS N N 9.327 -1.827 -0.895 1.00 . A A . 15 LYS N 1 1 8 2269 1 1 15 LYS NZ N 8.880 2.074 4.088 1.00 . A A . 15 LYS NZ 1 1 8 2270 1 1 15 LYS O O 12.175 -1.077 0.812 1.00 . A A . 15 LYS O 1 1 8 2271 1 1 16 SER C C 12.358 -3.740 1.925 1.00 . A A . 16 SER C 1 1 8 2272 1 1 16 SER CA C 11.162 -2.996 2.544 1.00 . A A . 16 SER CA 1 1 8 2273 1 1 16 SER CB C 10.140 -3.994 3.095 1.00 . A A . 16 SER CB 1 1 8 2274 1 1 16 SER H H 9.455 -2.402 1.366 1.00 . A A . 16 SER H 1 1 8 2275 1 1 16 SER HA H 11.493 -2.340 3.320 1.00 . A A . 16 SER HA 1 1 8 2276 1 1 16 SER HB2 H 9.390 -4.184 2.345 1.00 . A A . 16 SER HB2 1 1 8 2277 1 1 16 SER HB3 H 10.641 -4.927 3.335 1.00 . A A . 16 SER HB3 1 1 8 2278 1 1 16 SER HG H 8.595 -3.261 4.034 1.00 . A A . 16 SER HG 1 1 8 2279 1 1 16 SER N N 10.417 -2.232 1.502 1.00 . A A . 16 SER N 1 1 8 2280 1 1 16 SER O O 13.503 -3.418 2.194 1.00 . A A . 16 SER O 1 1 8 2281 1 1 16 SER OG O 9.515 -3.454 4.254 1.00 . A A . 16 SER OG 1 1 8 2282 1 1 17 PHE C C 13.652 -4.851 -0.852 1.00 . A A . 17 PHE C 1 1 8 2283 1 1 17 PHE CA C 13.239 -5.483 0.486 1.00 . A A . 17 PHE CA 1 1 8 2284 1 1 17 PHE CB C 12.746 -6.932 0.288 1.00 . A A . 17 PHE CB 1 1 8 2285 1 1 17 PHE CD1 C 11.275 -6.665 -1.762 1.00 . A A . 17 PHE CD1 1 1 8 2286 1 1 17 PHE CD2 C 10.259 -7.434 0.300 1.00 . A A . 17 PHE CD2 1 1 8 2287 1 1 17 PHE CE1 C 10.033 -6.753 -2.405 1.00 . A A . 17 PHE CE1 1 1 8 2288 1 1 17 PHE CE2 C 9.016 -7.515 -0.346 1.00 . A A . 17 PHE CE2 1 1 8 2289 1 1 17 PHE CG C 11.394 -7.007 -0.409 1.00 . A A . 17 PHE CG 1 1 8 2290 1 1 17 PHE CZ C 8.904 -7.175 -1.697 1.00 . A A . 17 PHE CZ 1 1 8 2291 1 1 17 PHE H H 11.187 -4.979 0.905 1.00 . A A . 17 PHE H 1 1 8 2292 1 1 17 PHE HA H 14.087 -5.484 1.160 1.00 . A A . 17 PHE HA 1 1 8 2293 1 1 17 PHE HB2 H 13.468 -7.451 -0.310 1.00 . A A . 17 PHE HB2 1 1 8 2294 1 1 17 PHE HB3 H 12.674 -7.408 1.250 1.00 . A A . 17 PHE HB3 1 1 8 2295 1 1 17 PHE HD1 H 12.143 -6.335 -2.315 1.00 . A A . 17 PHE HD1 1 1 8 2296 1 1 17 PHE HD2 H 10.343 -7.696 1.344 1.00 . A A . 17 PHE HD2 1 1 8 2297 1 1 17 PHE HE1 H 9.940 -6.473 -3.445 1.00 . A A . 17 PHE HE1 1 1 8 2298 1 1 17 PHE HE2 H 8.140 -7.830 0.203 1.00 . A A . 17 PHE HE2 1 1 8 2299 1 1 17 PHE HZ H 7.946 -7.242 -2.195 1.00 . A A . 17 PHE HZ 1 1 8 2300 1 1 17 PHE N N 12.109 -4.732 1.107 1.00 . A A . 17 PHE N 1 1 8 2301 1 1 17 PHE O O 14.048 -5.540 -1.770 1.00 . A A . 17 PHE O 1 1 8 2302 1 1 18 NH2 HN1 H 13.284 -2.984 -0.275 1.00 . A A . 18 NH2 HN1 1 1 8 2303 1 1 18 NH2 HN2 H 13.873 -3.155 -1.855 1.00 . A A . 18 NH2 HN2 1 1 8 2304 1 1 18 NH2 N N 13.602 -3.556 -1.004 1.00 . A A . 18 NH2 N 1 1 9 2305 1 1 1 MET C C -11.035 0.245 -7.315 1.00 . A A . 1 MET C 1 1 9 2306 1 1 1 MET CA C -12.542 0.452 -7.468 1.00 . A A . 1 MET CA 1 1 9 2307 1 1 1 MET CB C -13.216 0.303 -6.098 1.00 . A A . 1 MET CB 1 1 9 2308 1 1 1 MET CE C -14.923 -2.013 -5.041 1.00 . A A . 1 MET CE 1 1 9 2309 1 1 1 MET CG C -14.736 0.451 -6.216 1.00 . A A . 1 MET CG 1 1 9 2310 1 1 1 MET H1 H -13.728 -0.175 -9.056 1.00 . A A . 1 MET H1 1 1 9 2311 1 1 1 MET H2 H -13.670 -1.279 -7.775 1.00 . A A . 1 MET H2 1 1 9 2312 1 1 1 MET H3 H -12.346 -1.114 -8.823 1.00 . A A . 1 MET H3 1 1 9 2313 1 1 1 MET HA H -12.747 1.428 -7.874 1.00 . A A . 1 MET HA 1 1 9 2314 1 1 1 MET HB2 H -12.983 -0.669 -5.690 1.00 . A A . 1 MET HB2 1 1 9 2315 1 1 1 MET HB3 H -12.837 1.064 -5.434 1.00 . A A . 1 MET HB3 1 1 9 2316 1 1 1 MET HE1 H -14.396 -2.360 -4.160 1.00 . A A . 1 MET HE1 1 1 9 2317 1 1 1 MET HE2 H -14.261 -2.029 -5.895 1.00 . A A . 1 MET HE2 1 1 9 2318 1 1 1 MET HE3 H -15.761 -2.660 -5.231 1.00 . A A . 1 MET HE3 1 1 9 2319 1 1 1 MET HG2 H -14.994 1.502 -6.254 1.00 . A A . 1 MET HG2 1 1 9 2320 1 1 1 MET HG3 H -15.085 -0.038 -7.114 1.00 . A A . 1 MET HG3 1 1 9 2321 1 1 1 MET N N -13.117 -0.610 -8.343 1.00 . A A . 1 MET N 1 1 9 2322 1 1 1 MET O O -10.584 -0.843 -7.016 1.00 . A A . 1 MET O 1 1 9 2323 1 1 1 MET SD S -15.511 -0.318 -4.768 1.00 . A A . 1 MET SD 1 1 9 2324 1 1 2 ALA C C -8.435 1.180 -5.840 1.00 . A A . 2 ALA C 1 1 9 2325 1 1 2 ALA CA C -8.779 1.135 -7.333 1.00 . A A . 2 ALA CA 1 1 9 2326 1 1 2 ALA CB C -8.163 2.328 -8.074 1.00 . A A . 2 ALA CB 1 1 9 2327 1 1 2 ALA H H -10.643 2.151 -7.711 1.00 . A A . 2 ALA H 1 1 9 2328 1 1 2 ALA HA H -8.442 0.207 -7.772 1.00 . A A . 2 ALA HA 1 1 9 2329 1 1 2 ALA HB1 H -8.546 3.249 -7.658 1.00 . A A . 2 ALA HB1 1 1 9 2330 1 1 2 ALA HB2 H -8.417 2.273 -9.120 1.00 . A A . 2 ALA HB2 1 1 9 2331 1 1 2 ALA HB3 H -7.090 2.305 -7.961 1.00 . A A . 2 ALA HB3 1 1 9 2332 1 1 2 ALA N N -10.255 1.279 -7.494 1.00 . A A . 2 ALA N 1 1 9 2333 1 1 2 ALA O O -7.682 2.020 -5.383 1.00 . A A . 2 ALA O 1 1 9 2334 1 1 3 THR C C -7.535 -0.649 -3.325 1.00 . A A . 3 THR C 1 1 9 2335 1 1 3 THR CA C -8.730 0.260 -3.617 1.00 . A A . 3 THR CA 1 1 9 2336 1 1 3 THR CB C -10.010 -0.298 -2.985 1.00 . A A . 3 THR CB 1 1 9 2337 1 1 3 THR CG2 C -10.996 0.848 -2.738 1.00 . A A . 3 THR CG2 1 1 9 2338 1 1 3 THR H H -9.607 -0.377 -5.466 1.00 . A A . 3 THR H 1 1 9 2339 1 1 3 THR HA H -8.546 1.257 -3.252 1.00 . A A . 3 THR HA 1 1 9 2340 1 1 3 THR HB H -9.767 -0.768 -2.045 1.00 . A A . 3 THR HB 1 1 9 2341 1 1 3 THR HG1 H -11.299 -1.715 -3.376 1.00 . A A . 3 THR HG1 1 1 9 2342 1 1 3 THR HG21 H -12.008 0.488 -2.847 1.00 . A A . 3 THR HG21 1 1 9 2343 1 1 3 THR HG22 H -10.818 1.638 -3.452 1.00 . A A . 3 THR HG22 1 1 9 2344 1 1 3 THR HG23 H -10.857 1.230 -1.737 1.00 . A A . 3 THR HG23 1 1 9 2345 1 1 3 THR N N -8.998 0.284 -5.077 1.00 . A A . 3 THR N 1 1 9 2346 1 1 3 THR O O -6.467 -0.171 -2.990 1.00 . A A . 3 THR O 1 1 9 2347 1 1 3 THR OG1 O -10.599 -1.264 -3.859 1.00 . A A . 3 THR OG1 1 1 9 2348 1 1 4 LEU C C -5.735 -2.480 -2.038 1.00 . A A . 4 LEU C 1 1 9 2349 1 1 4 LEU CA C -6.596 -2.917 -3.231 1.00 . A A . 4 LEU CA 1 1 9 2350 1 1 4 LEU CB C -5.802 -2.898 -4.533 1.00 . A A . 4 LEU CB 1 1 9 2351 1 1 4 LEU CD1 C -4.292 -4.218 -6.034 1.00 . A A . 4 LEU CD1 1 1 9 2352 1 1 4 LEU CD2 C -4.631 -4.960 -3.686 1.00 . A A . 4 LEU CD2 1 1 9 2353 1 1 4 LEU CG C -5.308 -4.310 -4.894 1.00 . A A . 4 LEU CG 1 1 9 2354 1 1 4 LEU H H -8.567 -2.283 -3.772 1.00 . A A . 4 LEU H 1 1 9 2355 1 1 4 LEU HA H -6.994 -3.905 -3.060 1.00 . A A . 4 LEU HA 1 1 9 2356 1 1 4 LEU HB2 H -6.448 -2.536 -5.325 1.00 . A A . 4 LEU HB2 1 1 9 2357 1 1 4 LEU HB3 H -4.964 -2.234 -4.421 1.00 . A A . 4 LEU HB3 1 1 9 2358 1 1 4 LEU HD11 H -3.969 -5.212 -6.308 1.00 . A A . 4 LEU HD11 1 1 9 2359 1 1 4 LEU HD12 H -3.438 -3.639 -5.712 1.00 . A A . 4 LEU HD12 1 1 9 2360 1 1 4 LEU HD13 H -4.749 -3.742 -6.887 1.00 . A A . 4 LEU HD13 1 1 9 2361 1 1 4 LEU HD21 H -5.252 -4.840 -2.811 1.00 . A A . 4 LEU HD21 1 1 9 2362 1 1 4 LEU HD22 H -3.673 -4.492 -3.517 1.00 . A A . 4 LEU HD22 1 1 9 2363 1 1 4 LEU HD23 H -4.487 -6.011 -3.881 1.00 . A A . 4 LEU HD23 1 1 9 2364 1 1 4 LEU HG H -6.146 -4.916 -5.211 1.00 . A A . 4 LEU HG 1 1 9 2365 1 1 4 LEU N N -7.706 -1.947 -3.475 1.00 . A A . 4 LEU N 1 1 9 2366 1 1 4 LEU O O -4.528 -2.367 -2.138 1.00 . A A . 4 LEU O 1 1 9 2367 1 1 5 GLU C C -4.389 -2.719 0.562 1.00 . A A . 5 GLU C 1 1 9 2368 1 1 5 GLU CA C -5.588 -1.792 0.296 1.00 . A A . 5 GLU CA 1 1 9 2369 1 1 5 GLU CB C -6.589 -1.849 1.458 1.00 . A A . 5 GLU CB 1 1 9 2370 1 1 5 GLU CD C -8.633 -3.225 1.050 1.00 . A A . 5 GLU CD 1 1 9 2371 1 1 5 GLU CG C -7.210 -3.250 1.588 1.00 . A A . 5 GLU CG 1 1 9 2372 1 1 5 GLU H H -7.328 -2.329 -0.861 1.00 . A A . 5 GLU H 1 1 9 2373 1 1 5 GLU HA H -5.246 -0.778 0.163 1.00 . A A . 5 GLU HA 1 1 9 2374 1 1 5 GLU HB2 H -6.078 -1.599 2.374 1.00 . A A . 5 GLU HB2 1 1 9 2375 1 1 5 GLU HB3 H -7.373 -1.129 1.283 1.00 . A A . 5 GLU HB3 1 1 9 2376 1 1 5 GLU HG2 H -6.629 -3.965 1.026 1.00 . A A . 5 GLU HG2 1 1 9 2377 1 1 5 GLU HG3 H -7.226 -3.541 2.628 1.00 . A A . 5 GLU HG3 1 1 9 2378 1 1 5 GLU N N -6.354 -2.230 -0.913 1.00 . A A . 5 GLU N 1 1 9 2379 1 1 5 GLU O O -3.387 -2.299 1.101 1.00 . A A . 5 GLU O 1 1 9 2380 1 1 5 GLU OE1 O -9.495 -2.712 1.733 1.00 . A A . 5 GLU OE1 1 1 9 2381 1 1 5 GLU OE2 O -8.841 -3.718 -0.041 1.00 . A A . 5 GLU OE2 1 1 9 2382 1 1 6 LYS C C -2.107 -4.451 -0.313 1.00 . A A . 6 LYS C 1 1 9 2383 1 1 6 LYS CA C -3.360 -4.924 0.418 1.00 . A A . 6 LYS CA 1 1 9 2384 1 1 6 LYS CB C -3.832 -6.264 -0.158 1.00 . A A . 6 LYS CB 1 1 9 2385 1 1 6 LYS CD C -2.113 -7.682 0.992 1.00 . A A . 6 LYS CD 1 1 9 2386 1 1 6 LYS CE C -1.883 -9.195 0.930 1.00 . A A . 6 LYS CE 1 1 9 2387 1 1 6 LYS CG C -3.611 -7.383 0.867 1.00 . A A . 6 LYS CG 1 1 9 2388 1 1 6 LYS H H -5.310 -4.284 -0.248 1.00 . A A . 6 LYS H 1 1 9 2389 1 1 6 LYS HA H -3.157 -5.017 1.472 1.00 . A A . 6 LYS HA 1 1 9 2390 1 1 6 LYS HB2 H -4.883 -6.203 -0.402 1.00 . A A . 6 LYS HB2 1 1 9 2391 1 1 6 LYS HB3 H -3.269 -6.480 -1.055 1.00 . A A . 6 LYS HB3 1 1 9 2392 1 1 6 LYS HD2 H -1.584 -7.206 0.178 1.00 . A A . 6 LYS HD2 1 1 9 2393 1 1 6 LYS HD3 H -1.744 -7.299 1.935 1.00 . A A . 6 LYS HD3 1 1 9 2394 1 1 6 LYS HE2 H -2.266 -9.591 0.000 1.00 . A A . 6 LYS HE2 1 1 9 2395 1 1 6 LYS HE3 H -0.830 -9.419 1.025 1.00 . A A . 6 LYS HE3 1 1 9 2396 1 1 6 LYS HG2 H -3.996 -7.074 1.829 1.00 . A A . 6 LYS HG2 1 1 9 2397 1 1 6 LYS HG3 H -4.129 -8.274 0.542 1.00 . A A . 6 LYS HG3 1 1 9 2398 1 1 6 LYS HZ1 H -3.596 -10.016 1.790 1.00 . A A . 6 LYS HZ1 1 1 9 2399 1 1 6 LYS HZ2 H -2.686 -9.064 2.859 1.00 . A A . 6 LYS HZ2 1 1 9 2400 1 1 6 LYS HZ3 H -2.150 -10.617 2.426 1.00 . A A . 6 LYS HZ3 1 1 9 2401 1 1 6 LYS N N -4.491 -3.972 0.188 1.00 . A A . 6 LYS N 1 1 9 2402 1 1 6 LYS NZ N -2.635 -9.763 2.089 1.00 . A A . 6 LYS NZ 1 1 9 2403 1 1 6 LYS O O -0.997 -4.657 0.150 1.00 . A A . 6 LYS O 1 1 9 2404 1 1 7 LEU C C -0.172 -2.473 -1.285 1.00 . A A . 7 LEU C 1 1 9 2405 1 1 7 LEU CA C -1.080 -3.312 -2.205 1.00 . A A . 7 LEU CA 1 1 9 2406 1 1 7 LEU CB C -1.646 -2.460 -3.363 1.00 . A A . 7 LEU CB 1 1 9 2407 1 1 7 LEU CD1 C -0.512 -0.211 -3.388 1.00 . A A . 7 LEU CD1 1 1 9 2408 1 1 7 LEU CD2 C -2.988 -0.356 -3.634 1.00 . A A . 7 LEU CD2 1 1 9 2409 1 1 7 LEU CG C -1.765 -0.980 -2.957 1.00 . A A . 7 LEU CG 1 1 9 2410 1 1 7 LEU H H -3.171 -3.660 -1.791 1.00 . A A . 7 LEU H 1 1 9 2411 1 1 7 LEU HA H -0.525 -4.145 -2.609 1.00 . A A . 7 LEU HA 1 1 9 2412 1 1 7 LEU HB2 H -0.988 -2.543 -4.215 1.00 . A A . 7 LEU HB2 1 1 9 2413 1 1 7 LEU HB3 H -2.623 -2.836 -3.633 1.00 . A A . 7 LEU HB3 1 1 9 2414 1 1 7 LEU HD11 H -0.775 0.817 -3.597 1.00 . A A . 7 LEU HD11 1 1 9 2415 1 1 7 LEU HD12 H -0.093 -0.660 -4.276 1.00 . A A . 7 LEU HD12 1 1 9 2416 1 1 7 LEU HD13 H 0.218 -0.238 -2.593 1.00 . A A . 7 LEU HD13 1 1 9 2417 1 1 7 LEU HD21 H -3.531 0.231 -2.911 1.00 . A A . 7 LEU HD21 1 1 9 2418 1 1 7 LEU HD22 H -3.628 -1.136 -4.016 1.00 . A A . 7 LEU HD22 1 1 9 2419 1 1 7 LEU HD23 H -2.669 0.279 -4.448 1.00 . A A . 7 LEU HD23 1 1 9 2420 1 1 7 LEU HG H -1.875 -0.908 -1.887 1.00 . A A . 7 LEU HG 1 1 9 2421 1 1 7 LEU N N -2.268 -3.813 -1.445 1.00 . A A . 7 LEU N 1 1 9 2422 1 1 7 LEU O O 0.993 -2.285 -1.573 1.00 . A A . 7 LEU O 1 1 9 2423 1 1 8 MET C C 1.243 -2.044 1.360 1.00 . A A . 8 MET C 1 1 9 2424 1 1 8 MET CA C 0.163 -1.153 0.735 1.00 . A A . 8 MET CA 1 1 9 2425 1 1 8 MET CB C -0.796 -0.557 1.791 1.00 . A A . 8 MET CB 1 1 9 2426 1 1 8 MET CE C -1.834 0.429 4.470 1.00 . A A . 8 MET CE 1 1 9 2427 1 1 8 MET CG C -1.205 -1.625 2.813 1.00 . A A . 8 MET CG 1 1 9 2428 1 1 8 MET H H -1.633 -2.139 0.045 1.00 . A A . 8 MET H 1 1 9 2429 1 1 8 MET HA H 0.633 -0.359 0.172 1.00 . A A . 8 MET HA 1 1 9 2430 1 1 8 MET HB2 H -0.304 0.258 2.304 1.00 . A A . 8 MET HB2 1 1 9 2431 1 1 8 MET HB3 H -1.680 -0.180 1.298 1.00 . A A . 8 MET HB3 1 1 9 2432 1 1 8 MET HE1 H -2.011 1.264 3.806 1.00 . A A . 8 MET HE1 1 1 9 2433 1 1 8 MET HE2 H -0.771 0.255 4.565 1.00 . A A . 8 MET HE2 1 1 9 2434 1 1 8 MET HE3 H -2.250 0.650 5.441 1.00 . A A . 8 MET HE3 1 1 9 2435 1 1 8 MET HG2 H -1.481 -2.529 2.297 1.00 . A A . 8 MET HG2 1 1 9 2436 1 1 8 MET HG3 H -0.372 -1.823 3.470 1.00 . A A . 8 MET HG3 1 1 9 2437 1 1 8 MET N N -0.690 -1.971 -0.181 1.00 . A A . 8 MET N 1 1 9 2438 1 1 8 MET O O 2.399 -1.671 1.416 1.00 . A A . 8 MET O 1 1 9 2439 1 1 8 MET SD S -2.618 -1.051 3.790 1.00 . A A . 8 MET SD 1 1 9 2440 1 1 9 LYS C C 2.739 -4.654 1.187 1.00 . A A . 9 LYS C 1 1 9 2441 1 1 9 LYS CA C 1.924 -4.139 2.351 1.00 . A A . 9 LYS CA 1 1 9 2442 1 1 9 LYS CB C 1.156 -5.262 3.052 1.00 . A A . 9 LYS CB 1 1 9 2443 1 1 9 LYS CD C 1.732 -4.466 5.360 1.00 . A A . 9 LYS CD 1 1 9 2444 1 1 9 LYS CE C 3.085 -4.199 6.046 1.00 . A A . 9 LYS CE 1 1 9 2445 1 1 9 LYS CG C 1.871 -5.623 4.359 1.00 . A A . 9 LYS CG 1 1 9 2446 1 1 9 LYS H H -0.030 -3.541 1.704 1.00 . A A . 9 LYS H 1 1 9 2447 1 1 9 LYS HA H 2.557 -3.616 3.036 1.00 . A A . 9 LYS HA 1 1 9 2448 1 1 9 LYS HB2 H 0.149 -4.931 3.268 1.00 . A A . 9 LYS HB2 1 1 9 2449 1 1 9 LYS HB3 H 1.116 -6.126 2.411 1.00 . A A . 9 LYS HB3 1 1 9 2450 1 1 9 LYS HD2 H 1.411 -3.572 4.837 1.00 . A A . 9 LYS HD2 1 1 9 2451 1 1 9 LYS HD3 H 0.997 -4.728 6.105 1.00 . A A . 9 LYS HD3 1 1 9 2452 1 1 9 LYS HE2 H 3.860 -4.048 5.305 1.00 . A A . 9 LYS HE2 1 1 9 2453 1 1 9 LYS HE3 H 3.014 -3.335 6.690 1.00 . A A . 9 LYS HE3 1 1 9 2454 1 1 9 LYS HG2 H 1.430 -6.517 4.775 1.00 . A A . 9 LYS HG2 1 1 9 2455 1 1 9 LYS HG3 H 2.919 -5.797 4.157 1.00 . A A . 9 LYS HG3 1 1 9 2456 1 1 9 LYS HZ1 H 4.295 -5.309 7.325 1.00 . A A . 9 LYS HZ1 1 1 9 2457 1 1 9 LYS HZ2 H 3.398 -6.249 6.244 1.00 . A A . 9 LYS HZ2 1 1 9 2458 1 1 9 LYS HZ3 H 2.632 -5.540 7.583 1.00 . A A . 9 LYS HZ3 1 1 9 2459 1 1 9 LYS N N 0.895 -3.233 1.789 1.00 . A A . 9 LYS N 1 1 9 2460 1 1 9 LYS NZ N 3.371 -5.416 6.860 1.00 . A A . 9 LYS NZ 1 1 9 2461 1 1 9 LYS O O 3.953 -4.664 1.223 1.00 . A A . 9 LYS O 1 1 9 2462 1 1 10 ALA C C 3.864 -4.489 -1.392 1.00 . A A . 10 ALA C 1 1 9 2463 1 1 10 ALA CA C 2.762 -5.458 -1.106 1.00 . A A . 10 ALA CA 1 1 9 2464 1 1 10 ALA CB C 1.754 -5.246 -2.234 1.00 . A A . 10 ALA CB 1 1 9 2465 1 1 10 ALA H H 1.088 -4.934 0.137 1.00 . A A . 10 ALA H 1 1 9 2466 1 1 10 ALA HA H 3.102 -6.478 -1.052 1.00 . A A . 10 ALA HA 1 1 9 2467 1 1 10 ALA HB1 H 1.625 -6.151 -2.787 1.00 . A A . 10 ALA HB1 1 1 9 2468 1 1 10 ALA HB2 H 2.132 -4.466 -2.899 1.00 . A A . 10 ALA HB2 1 1 9 2469 1 1 10 ALA HB3 H 0.814 -4.916 -1.820 1.00 . A A . 10 ALA HB3 1 1 9 2470 1 1 10 ALA N N 2.064 -5.009 0.130 1.00 . A A . 10 ALA N 1 1 9 2471 1 1 10 ALA O O 5.031 -4.809 -1.484 1.00 . A A . 10 ALA O 1 1 9 2472 1 1 11 PHE C C 5.356 -1.940 -0.893 1.00 . A A . 11 PHE C 1 1 9 2473 1 1 11 PHE CA C 4.318 -2.203 -1.922 1.00 . A A . 11 PHE CA 1 1 9 2474 1 1 11 PHE CB C 3.447 -1.005 -2.022 1.00 . A A . 11 PHE CB 1 1 9 2475 1 1 11 PHE CD1 C 4.586 -0.101 -3.995 1.00 . A A . 11 PHE CD1 1 1 9 2476 1 1 11 PHE CD2 C 4.846 0.989 -1.854 1.00 . A A . 11 PHE CD2 1 1 9 2477 1 1 11 PHE CE1 C 5.422 0.849 -4.593 1.00 . A A . 11 PHE CE1 1 1 9 2478 1 1 11 PHE CE2 C 5.678 1.952 -2.433 1.00 . A A . 11 PHE CE2 1 1 9 2479 1 1 11 PHE CG C 4.312 -0.004 -2.642 1.00 . A A . 11 PHE CG 1 1 9 2480 1 1 11 PHE CZ C 5.965 1.886 -3.811 1.00 . A A . 11 PHE CZ 1 1 9 2481 1 1 11 PHE H H 2.466 -3.107 -1.510 1.00 . A A . 11 PHE H 1 1 9 2482 1 1 11 PHE HA H 4.774 -2.375 -2.859 1.00 . A A . 11 PHE HA 1 1 9 2483 1 1 11 PHE HB2 H 2.580 -1.205 -2.632 1.00 . A A . 11 PHE HB2 1 1 9 2484 1 1 11 PHE HB3 H 3.146 -0.671 -1.039 1.00 . A A . 11 PHE HB3 1 1 9 2485 1 1 11 PHE HD1 H 4.178 -0.947 -4.564 1.00 . A A . 11 PHE HD1 1 1 9 2486 1 1 11 PHE HD2 H 4.626 0.986 -0.781 1.00 . A A . 11 PHE HD2 1 1 9 2487 1 1 11 PHE HE1 H 5.641 0.793 -5.651 1.00 . A A . 11 PHE HE1 1 1 9 2488 1 1 11 PHE HE2 H 6.104 2.737 -1.827 1.00 . A A . 11 PHE HE2 1 1 9 2489 1 1 11 PHE HZ H 6.607 2.626 -4.266 1.00 . A A . 11 PHE HZ 1 1 9 2490 1 1 11 PHE N N 3.430 -3.288 -1.576 1.00 . A A . 11 PHE N 1 1 9 2491 1 1 11 PHE O O 6.536 -1.951 -1.183 1.00 . A A . 11 PHE O 1 1 9 2492 1 1 12 GLU C C 6.951 -2.505 1.327 1.00 . A A . 12 GLU C 1 1 9 2493 1 1 12 GLU CA C 5.967 -1.327 1.289 1.00 . A A . 12 GLU CA 1 1 9 2494 1 1 12 GLU CB C 5.215 -1.152 2.606 1.00 . A A . 12 GLU CB 1 1 9 2495 1 1 12 GLU CD C 4.938 0.854 4.063 1.00 . A A . 12 GLU CD 1 1 9 2496 1 1 12 GLU CG C 4.652 0.269 2.689 1.00 . A A . 12 GLU CG 1 1 9 2497 1 1 12 GLU H H 3.995 -1.585 0.497 1.00 . A A . 12 GLU H 1 1 9 2498 1 1 12 GLU HA H 6.457 -0.407 0.972 1.00 . A A . 12 GLU HA 1 1 9 2499 1 1 12 GLU HB2 H 4.407 -1.869 2.658 1.00 . A A . 12 GLU HB2 1 1 9 2500 1 1 12 GLU HB3 H 5.889 -1.321 3.421 1.00 . A A . 12 GLU HB3 1 1 9 2501 1 1 12 GLU HG2 H 5.117 0.885 1.933 1.00 . A A . 12 GLU HG2 1 1 9 2502 1 1 12 GLU HG3 H 3.586 0.246 2.526 1.00 . A A . 12 GLU HG3 1 1 9 2503 1 1 12 GLU N N 4.952 -1.638 0.288 1.00 . A A . 12 GLU N 1 1 9 2504 1 1 12 GLU O O 8.146 -2.341 1.481 1.00 . A A . 12 GLU O 1 1 9 2505 1 1 12 GLU OE1 O 4.153 0.617 4.961 1.00 . A A . 12 GLU OE1 1 1 9 2506 1 1 12 GLU OE2 O 5.939 1.531 4.199 1.00 . A A . 12 GLU OE2 1 1 9 2507 1 1 13 SER C C 8.278 -4.725 -0.163 1.00 . A A . 13 SER C 1 1 9 2508 1 1 13 SER CA C 7.361 -4.867 1.074 1.00 . A A . 13 SER CA 1 1 9 2509 1 1 13 SER CB C 6.452 -6.096 0.954 1.00 . A A . 13 SER CB 1 1 9 2510 1 1 13 SER H H 5.483 -3.808 0.980 1.00 . A A . 13 SER H 1 1 9 2511 1 1 13 SER HA H 7.944 -4.918 1.971 1.00 . A A . 13 SER HA 1 1 9 2512 1 1 13 SER HB2 H 5.527 -5.825 0.470 1.00 . A A . 13 SER HB2 1 1 9 2513 1 1 13 SER HB3 H 6.953 -6.853 0.364 1.00 . A A . 13 SER HB3 1 1 9 2514 1 1 13 SER HG H 6.985 -6.999 2.601 1.00 . A A . 13 SER HG 1 1 9 2515 1 1 13 SER N N 6.452 -3.695 1.127 1.00 . A A . 13 SER N 1 1 9 2516 1 1 13 SER O O 9.436 -5.091 -0.129 1.00 . A A . 13 SER O 1 1 9 2517 1 1 13 SER OG O 6.176 -6.599 2.260 1.00 . A A . 13 SER OG 1 1 9 2518 1 1 14 LEU C C 9.646 -2.862 -2.119 1.00 . A A . 14 LEU C 1 1 9 2519 1 1 14 LEU CA C 8.629 -3.919 -2.456 1.00 . A A . 14 LEU CA 1 1 9 2520 1 1 14 LEU CB C 7.710 -3.383 -3.555 1.00 . A A . 14 LEU CB 1 1 9 2521 1 1 14 LEU CD1 C 5.373 -3.626 -4.308 1.00 . A A . 14 LEU CD1 1 1 9 2522 1 1 14 LEU CD2 C 7.078 -5.259 -5.087 1.00 . A A . 14 LEU CD2 1 1 9 2523 1 1 14 LEU CG C 6.625 -4.394 -3.910 1.00 . A A . 14 LEU CG 1 1 9 2524 1 1 14 LEU H H 6.868 -3.798 -1.210 1.00 . A A . 14 LEU H 1 1 9 2525 1 1 14 LEU HA H 9.110 -4.824 -2.762 1.00 . A A . 14 LEU HA 1 1 9 2526 1 1 14 LEU HB2 H 7.244 -2.473 -3.209 1.00 . A A . 14 LEU HB2 1 1 9 2527 1 1 14 LEU HB3 H 8.297 -3.171 -4.433 1.00 . A A . 14 LEU HB3 1 1 9 2528 1 1 14 LEU HD11 H 5.572 -2.561 -4.248 1.00 . A A . 14 LEU HD11 1 1 9 2529 1 1 14 LEU HD12 H 4.571 -3.878 -3.629 1.00 . A A . 14 LEU HD12 1 1 9 2530 1 1 14 LEU HD13 H 5.093 -3.882 -5.311 1.00 . A A . 14 LEU HD13 1 1 9 2531 1 1 14 LEU HD21 H 6.408 -5.108 -5.921 1.00 . A A . 14 LEU HD21 1 1 9 2532 1 1 14 LEU HD22 H 7.063 -6.299 -4.796 1.00 . A A . 14 LEU HD22 1 1 9 2533 1 1 14 LEU HD23 H 8.079 -4.981 -5.377 1.00 . A A . 14 LEU HD23 1 1 9 2534 1 1 14 LEU HG H 6.414 -5.018 -3.057 1.00 . A A . 14 LEU HG 1 1 9 2535 1 1 14 LEU N N 7.781 -4.139 -1.232 1.00 . A A . 14 LEU N 1 1 9 2536 1 1 14 LEU O O 10.793 -2.928 -2.491 1.00 . A A . 14 LEU O 1 1 9 2537 1 1 15 LYS C C 11.318 -1.548 -0.277 1.00 . A A . 15 LYS C 1 1 9 2538 1 1 15 LYS CA C 10.114 -0.843 -0.897 1.00 . A A . 15 LYS CA 1 1 9 2539 1 1 15 LYS CB C 9.209 -0.159 0.131 1.00 . A A . 15 LYS CB 1 1 9 2540 1 1 15 LYS CD C 10.749 1.387 1.334 1.00 . A A . 15 LYS CD 1 1 9 2541 1 1 15 LYS CE C 11.100 1.902 2.731 1.00 . A A . 15 LYS CE 1 1 9 2542 1 1 15 LYS CG C 9.939 0.092 1.442 1.00 . A A . 15 LYS CG 1 1 9 2543 1 1 15 LYS H H 8.295 -1.913 -1.045 1.00 . A A . 15 LYS H 1 1 9 2544 1 1 15 LYS HA H 10.393 -0.176 -1.691 1.00 . A A . 15 LYS HA 1 1 9 2545 1 1 15 LYS HB2 H 8.854 0.754 -0.266 1.00 . A A . 15 LYS HB2 1 1 9 2546 1 1 15 LYS HB3 H 8.357 -0.798 0.316 1.00 . A A . 15 LYS HB3 1 1 9 2547 1 1 15 LYS HD2 H 11.658 1.199 0.780 1.00 . A A . 15 LYS HD2 1 1 9 2548 1 1 15 LYS HD3 H 10.162 2.136 0.817 1.00 . A A . 15 LYS HD3 1 1 9 2549 1 1 15 LYS HE2 H 11.498 2.906 2.665 1.00 . A A . 15 LYS HE2 1 1 9 2550 1 1 15 LYS HE3 H 10.230 1.885 3.365 1.00 . A A . 15 LYS HE3 1 1 9 2551 1 1 15 LYS HG2 H 9.210 0.179 2.235 1.00 . A A . 15 LYS HG2 1 1 9 2552 1 1 15 LYS HG3 H 10.598 -0.737 1.647 1.00 . A A . 15 LYS HG3 1 1 9 2553 1 1 15 LYS HZ1 H 12.942 0.930 2.608 1.00 . A A . 15 LYS HZ1 1 1 9 2554 1 1 15 LYS HZ2 H 11.728 0.019 3.369 1.00 . A A . 15 LYS HZ2 1 1 9 2555 1 1 15 LYS HZ3 H 12.455 1.304 4.189 1.00 . A A . 15 LYS HZ3 1 1 9 2556 1 1 15 LYS N N 9.220 -1.905 -1.360 1.00 . A A . 15 LYS N 1 1 9 2557 1 1 15 LYS NZ N 12.133 0.966 3.260 1.00 . A A . 15 LYS NZ 1 1 9 2558 1 1 15 LYS O O 12.462 -1.183 -0.466 1.00 . A A . 15 LYS O 1 1 9 2559 1 1 16 SER C C 12.991 -4.096 0.087 1.00 . A A . 16 SER C 1 1 9 2560 1 1 16 SER CA C 12.048 -3.431 1.111 1.00 . A A . 16 SER CA 1 1 9 2561 1 1 16 SER CB C 11.242 -4.504 1.857 1.00 . A A . 16 SER CB 1 1 9 2562 1 1 16 SER H H 10.066 -2.810 0.543 1.00 . A A . 16 SER H 1 1 9 2563 1 1 16 SER HA H 12.612 -2.854 1.810 1.00 . A A . 16 SER HA 1 1 9 2564 1 1 16 SER HB2 H 10.201 -4.428 1.582 1.00 . A A . 16 SER HB2 1 1 9 2565 1 1 16 SER HB3 H 11.611 -5.486 1.579 1.00 . A A . 16 SER HB3 1 1 9 2566 1 1 16 SER HG H 10.501 -4.069 3.616 1.00 . A A . 16 SER HG 1 1 9 2567 1 1 16 SER N N 11.014 -2.584 0.445 1.00 . A A . 16 SER N 1 1 9 2568 1 1 16 SER O O 14.144 -3.722 -0.042 1.00 . A A . 16 SER O 1 1 9 2569 1 1 16 SER OG O 11.368 -4.314 3.264 1.00 . A A . 16 SER OG 1 1 9 2570 1 1 17 PHE C C 13.524 -5.120 -2.927 1.00 . A A . 17 PHE C 1 1 9 2571 1 1 17 PHE CA C 13.397 -5.841 -1.580 1.00 . A A . 17 PHE CA 1 1 9 2572 1 1 17 PHE CB C 12.758 -7.232 -1.769 1.00 . A A . 17 PHE CB 1 1 9 2573 1 1 17 PHE CD1 C 10.896 -6.712 -3.405 1.00 . A A . 17 PHE CD1 1 1 9 2574 1 1 17 PHE CD2 C 10.308 -7.476 -1.179 1.00 . A A . 17 PHE CD2 1 1 9 2575 1 1 17 PHE CE1 C 9.539 -6.632 -3.734 1.00 . A A . 17 PHE CE1 1 1 9 2576 1 1 17 PHE CE2 C 8.950 -7.388 -1.510 1.00 . A A . 17 PHE CE2 1 1 9 2577 1 1 17 PHE CG C 11.285 -7.132 -2.126 1.00 . A A . 17 PHE CG 1 1 9 2578 1 1 17 PHE CZ C 8.565 -6.971 -2.786 1.00 . A A . 17 PHE CZ 1 1 9 2579 1 1 17 PHE H H 11.602 -5.405 -0.459 1.00 . A A . 17 PHE H 1 1 9 2580 1 1 17 PHE HA H 14.379 -5.961 -1.152 1.00 . A A . 17 PHE HA 1 1 9 2581 1 1 17 PHE HB2 H 13.271 -7.738 -2.564 1.00 . A A . 17 PHE HB2 1 1 9 2582 1 1 17 PHE HB3 H 12.869 -7.801 -0.858 1.00 . A A . 17 PHE HB3 1 1 9 2583 1 1 17 PHE HD1 H 11.644 -6.444 -4.138 1.00 . A A . 17 PHE HD1 1 1 9 2584 1 1 17 PHE HD2 H 10.603 -7.799 -0.191 1.00 . A A . 17 PHE HD2 1 1 9 2585 1 1 17 PHE HE1 H 9.239 -6.297 -4.716 1.00 . A A . 17 PHE HE1 1 1 9 2586 1 1 17 PHE HE2 H 8.194 -7.635 -0.774 1.00 . A A . 17 PHE HE2 1 1 9 2587 1 1 17 PHE HZ H 7.516 -6.909 -3.044 1.00 . A A . 17 PHE HZ 1 1 9 2588 1 1 17 PHE N N 12.520 -5.107 -0.606 1.00 . A A . 17 PHE N 1 1 9 2589 1 1 17 PHE O O 14.368 -5.460 -3.735 1.00 . A A . 17 PHE O 1 1 9 2590 1 1 18 NH2 HN1 H 12.047 -3.846 -2.582 1.00 . A A . 18 NH2 HN1 1 1 9 2591 1 1 18 NH2 HN2 H 12.827 -3.681 -4.082 1.00 . A A . 18 NH2 HN2 1 1 9 2592 1 1 18 NH2 N N 12.737 -4.137 -3.221 1.00 . A A . 18 NH2 N 1 1 10 2593 1 1 1 MET C C -12.389 -2.043 1.564 1.00 . A A . 1 MET C 1 1 10 2594 1 1 1 MET CA C -13.724 -1.391 1.195 1.00 . A A . 1 MET CA 1 1 10 2595 1 1 1 MET CB C -14.558 -1.135 2.455 1.00 . A A . 1 MET CB 1 1 10 2596 1 1 1 MET CE C -16.711 0.489 4.582 1.00 . A A . 1 MET CE 1 1 10 2597 1 1 1 MET CG C -15.741 -0.218 2.131 1.00 . A A . 1 MET CG 1 1 10 2598 1 1 1 MET H1 H -15.099 -1.770 -0.325 1.00 . A A . 1 MET H1 1 1 10 2599 1 1 1 MET H2 H -15.159 -2.894 0.943 1.00 . A A . 1 MET H2 1 1 10 2600 1 1 1 MET H3 H -13.896 -2.949 -0.185 1.00 . A A . 1 MET H3 1 1 10 2601 1 1 1 MET HA H -13.554 -0.463 0.673 1.00 . A A . 1 MET HA 1 1 10 2602 1 1 1 MET HB2 H -14.922 -2.075 2.839 1.00 . A A . 1 MET HB2 1 1 10 2603 1 1 1 MET HB3 H -13.935 -0.664 3.200 1.00 . A A . 1 MET HB3 1 1 10 2604 1 1 1 MET HE1 H -16.517 -0.091 5.476 1.00 . A A . 1 MET HE1 1 1 10 2605 1 1 1 MET HE2 H -17.537 1.169 4.754 1.00 . A A . 1 MET HE2 1 1 10 2606 1 1 1 MET HE3 H -15.832 1.060 4.331 1.00 . A A . 1 MET HE3 1 1 10 2607 1 1 1 MET HG2 H -15.454 0.812 2.283 1.00 . A A . 1 MET HG2 1 1 10 2608 1 1 1 MET HG3 H -16.036 -0.361 1.103 1.00 . A A . 1 MET HG3 1 1 10 2609 1 1 1 MET N N -14.531 -2.321 0.345 1.00 . A A . 1 MET N 1 1 10 2610 1 1 1 MET O O -11.334 -1.510 1.282 1.00 . A A . 1 MET O 1 1 10 2611 1 1 1 MET SD S -17.133 -0.626 3.221 1.00 . A A . 1 MET SD 1 1 10 2612 1 1 2 ALA C C -10.616 -4.678 1.388 1.00 . A A . 2 ALA C 1 1 10 2613 1 1 2 ALA CA C -11.150 -3.873 2.576 1.00 . A A . 2 ALA CA 1 1 10 2614 1 1 2 ALA CB C -11.514 -4.803 3.736 1.00 . A A . 2 ALA CB 1 1 10 2615 1 1 2 ALA H H -13.282 -3.608 2.409 1.00 . A A . 2 ALA H 1 1 10 2616 1 1 2 ALA HA H -10.423 -3.149 2.898 1.00 . A A . 2 ALA HA 1 1 10 2617 1 1 2 ALA HB1 H -11.631 -4.225 4.641 1.00 . A A . 2 ALA HB1 1 1 10 2618 1 1 2 ALA HB2 H -10.728 -5.531 3.872 1.00 . A A . 2 ALA HB2 1 1 10 2619 1 1 2 ALA HB3 H -12.438 -5.312 3.511 1.00 . A A . 2 ALA HB3 1 1 10 2620 1 1 2 ALA N N -12.422 -3.193 2.193 1.00 . A A . 2 ALA N 1 1 10 2621 1 1 2 ALA O O -10.897 -5.857 1.253 1.00 . A A . 2 ALA O 1 1 10 2622 1 1 3 THR C C -8.020 -4.135 -1.187 1.00 . A A . 3 THR C 1 1 10 2623 1 1 3 THR CA C -9.320 -4.784 -0.667 1.00 . A A . 3 THR CA 1 1 10 2624 1 1 3 THR CB C -10.429 -4.700 -1.732 1.00 . A A . 3 THR CB 1 1 10 2625 1 1 3 THR CG2 C -10.133 -5.685 -2.860 1.00 . A A . 3 THR CG2 1 1 10 2626 1 1 3 THR H H -9.653 -3.100 0.648 1.00 . A A . 3 THR H 1 1 10 2627 1 1 3 THR HA H -9.142 -5.817 -0.414 1.00 . A A . 3 THR HA 1 1 10 2628 1 1 3 THR HB H -10.472 -3.698 -2.137 1.00 . A A . 3 THR HB 1 1 10 2629 1 1 3 THR HG1 H -11.545 -5.749 -0.514 1.00 . A A . 3 THR HG1 1 1 10 2630 1 1 3 THR HG21 H -9.929 -6.658 -2.442 1.00 . A A . 3 THR HG21 1 1 10 2631 1 1 3 THR HG22 H -9.273 -5.342 -3.420 1.00 . A A . 3 THR HG22 1 1 10 2632 1 1 3 THR HG23 H -10.986 -5.747 -3.517 1.00 . A A . 3 THR HG23 1 1 10 2633 1 1 3 THR N N -9.860 -4.053 0.520 1.00 . A A . 3 THR N 1 1 10 2634 1 1 3 THR O O -6.963 -4.740 -1.144 1.00 . A A . 3 THR O 1 1 10 2635 1 1 3 THR OG1 O -11.687 -5.031 -1.151 1.00 . A A . 3 THR OG1 1 1 10 2636 1 1 4 LEU C C -5.756 -2.071 -1.253 1.00 . A A . 4 LEU C 1 1 10 2637 1 1 4 LEU CA C -6.882 -2.254 -2.280 1.00 . A A . 4 LEU CA 1 1 10 2638 1 1 4 LEU CB C -7.368 -0.891 -2.777 1.00 . A A . 4 LEU CB 1 1 10 2639 1 1 4 LEU CD1 C -8.719 0.248 -4.546 1.00 . A A . 4 LEU CD1 1 1 10 2640 1 1 4 LEU CD2 C -6.914 -1.350 -5.200 1.00 . A A . 4 LEU CD2 1 1 10 2641 1 1 4 LEU CG C -8.001 -1.048 -4.163 1.00 . A A . 4 LEU CG 1 1 10 2642 1 1 4 LEU H H -8.965 -2.478 -1.750 1.00 . A A . 4 LEU H 1 1 10 2643 1 1 4 LEU HA H -6.517 -2.823 -3.117 1.00 . A A . 4 LEU HA 1 1 10 2644 1 1 4 LEU HB2 H -8.099 -0.496 -2.087 1.00 . A A . 4 LEU HB2 1 1 10 2645 1 1 4 LEU HB3 H -6.533 -0.209 -2.841 1.00 . A A . 4 LEU HB3 1 1 10 2646 1 1 4 LEU HD11 H -9.770 0.155 -4.318 1.00 . A A . 4 LEU HD11 1 1 10 2647 1 1 4 LEU HD12 H -8.594 0.429 -5.603 1.00 . A A . 4 LEU HD12 1 1 10 2648 1 1 4 LEU HD13 H -8.301 1.071 -3.986 1.00 . A A . 4 LEU HD13 1 1 10 2649 1 1 4 LEU HD21 H -6.376 -0.443 -5.434 1.00 . A A . 4 LEU HD21 1 1 10 2650 1 1 4 LEU HD22 H -7.374 -1.739 -6.097 1.00 . A A . 4 LEU HD22 1 1 10 2651 1 1 4 LEU HD23 H -6.228 -2.085 -4.805 1.00 . A A . 4 LEU HD23 1 1 10 2652 1 1 4 LEU HG H -8.714 -1.859 -4.142 1.00 . A A . 4 LEU HG 1 1 10 2653 1 1 4 LEU N N -8.098 -2.931 -1.707 1.00 . A A . 4 LEU N 1 1 10 2654 1 1 4 LEU O O -4.596 -2.064 -1.618 1.00 . A A . 4 LEU O 1 1 10 2655 1 1 5 GLU C C -3.915 -2.839 0.927 1.00 . A A . 5 GLU C 1 1 10 2656 1 1 5 GLU CA C -4.984 -1.737 1.040 1.00 . A A . 5 GLU CA 1 1 10 2657 1 1 5 GLU CB C -5.675 -1.806 2.411 1.00 . A A . 5 GLU CB 1 1 10 2658 1 1 5 GLU CD C -7.935 -2.755 2.825 1.00 . A A . 5 GLU CD 1 1 10 2659 1 1 5 GLU CG C -6.483 -3.099 2.533 1.00 . A A . 5 GLU CG 1 1 10 2660 1 1 5 GLU H H -7.008 -1.926 0.289 1.00 . A A . 5 GLU H 1 1 10 2661 1 1 5 GLU HA H -4.525 -0.768 0.916 1.00 . A A . 5 GLU HA 1 1 10 2662 1 1 5 GLU HB2 H -4.927 -1.781 3.189 1.00 . A A . 5 GLU HB2 1 1 10 2663 1 1 5 GLU HB3 H -6.336 -0.958 2.523 1.00 . A A . 5 GLU HB3 1 1 10 2664 1 1 5 GLU HG2 H -6.422 -3.654 1.609 1.00 . A A . 5 GLU HG2 1 1 10 2665 1 1 5 GLU HG3 H -6.088 -3.695 3.341 1.00 . A A . 5 GLU HG3 1 1 10 2666 1 1 5 GLU N N -6.069 -1.923 0.013 1.00 . A A . 5 GLU N 1 1 10 2667 1 1 5 GLU O O -2.809 -2.681 1.408 1.00 . A A . 5 GLU O 1 1 10 2668 1 1 5 GLU OE1 O -8.551 -2.125 1.988 1.00 . A A . 5 GLU OE1 1 1 10 2669 1 1 5 GLU OE2 O -8.407 -3.130 3.880 1.00 . A A . 5 GLU OE2 1 1 10 2670 1 1 6 LYS C C -2.029 -4.582 -0.639 1.00 . A A . 6 LYS C 1 1 10 2671 1 1 6 LYS CA C -3.228 -5.054 0.170 1.00 . A A . 6 LYS CA 1 1 10 2672 1 1 6 LYS CB C -3.950 -6.185 -0.569 1.00 . A A . 6 LYS CB 1 1 10 2673 1 1 6 LYS CD C -5.013 -8.438 -0.352 1.00 . A A . 6 LYS CD 1 1 10 2674 1 1 6 LYS CE C -6.443 -8.641 0.156 1.00 . A A . 6 LYS CE 1 1 10 2675 1 1 6 LYS CG C -4.360 -7.285 0.416 1.00 . A A . 6 LYS CG 1 1 10 2676 1 1 6 LYS H H -5.130 -4.064 -0.066 1.00 . A A . 6 LYS H 1 1 10 2677 1 1 6 LYS HA H -2.902 -5.377 1.136 1.00 . A A . 6 LYS HA 1 1 10 2678 1 1 6 LYS HB2 H -4.829 -5.793 -1.055 1.00 . A A . 6 LYS HB2 1 1 10 2679 1 1 6 LYS HB3 H -3.289 -6.599 -1.314 1.00 . A A . 6 LYS HB3 1 1 10 2680 1 1 6 LYS HD2 H -5.033 -8.205 -1.408 1.00 . A A . 6 LYS HD2 1 1 10 2681 1 1 6 LYS HD3 H -4.445 -9.343 -0.195 1.00 . A A . 6 LYS HD3 1 1 10 2682 1 1 6 LYS HE2 H -6.805 -9.620 -0.123 1.00 . A A . 6 LYS HE2 1 1 10 2683 1 1 6 LYS HE3 H -6.481 -8.521 1.230 1.00 . A A . 6 LYS HE3 1 1 10 2684 1 1 6 LYS HG2 H -3.486 -7.648 0.935 1.00 . A A . 6 LYS HG2 1 1 10 2685 1 1 6 LYS HG3 H -5.064 -6.890 1.132 1.00 . A A . 6 LYS HG3 1 1 10 2686 1 1 6 LYS HZ1 H -8.191 -7.542 -0.066 1.00 . A A . 6 LYS HZ1 1 1 10 2687 1 1 6 LYS HZ2 H -7.352 -7.782 -1.512 1.00 . A A . 6 LYS HZ2 1 1 10 2688 1 1 6 LYS HZ3 H -6.779 -6.651 -0.384 1.00 . A A . 6 LYS HZ3 1 1 10 2689 1 1 6 LYS N N -4.233 -3.953 0.308 1.00 . A A . 6 LYS N 1 1 10 2690 1 1 6 LYS NZ N -7.251 -7.576 -0.501 1.00 . A A . 6 LYS NZ 1 1 10 2691 1 1 6 LYS O O -0.895 -4.749 -0.229 1.00 . A A . 6 LYS O 1 1 10 2692 1 1 7 LEU C C -0.256 -2.525 -1.767 1.00 . A A . 7 LEU C 1 1 10 2693 1 1 7 LEU CA C -1.127 -3.485 -2.596 1.00 . A A . 7 LEU CA 1 1 10 2694 1 1 7 LEU CB C -1.763 -2.760 -3.798 1.00 . A A . 7 LEU CB 1 1 10 2695 1 1 7 LEU CD1 C -0.870 -0.407 -3.747 1.00 . A A . 7 LEU CD1 1 1 10 2696 1 1 7 LEU CD2 C -3.271 -0.831 -4.307 1.00 . A A . 7 LEU CD2 1 1 10 2697 1 1 7 LEU CG C -2.086 -1.296 -3.453 1.00 . A A . 7 LEU CG 1 1 10 2698 1 1 7 LEU H H -3.187 -3.852 -2.078 1.00 . A A . 7 LEU H 1 1 10 2699 1 1 7 LEU HA H -0.536 -4.316 -2.944 1.00 . A A . 7 LEU HA 1 1 10 2700 1 1 7 LEU HB2 H -1.073 -2.787 -4.630 1.00 . A A . 7 LEU HB2 1 1 10 2701 1 1 7 LEU HB3 H -2.673 -3.270 -4.077 1.00 . A A . 7 LEU HB3 1 1 10 2702 1 1 7 LEU HD11 H 0.033 -0.999 -3.703 1.00 . A A . 7 LEU HD11 1 1 10 2703 1 1 7 LEU HD12 H -0.815 0.385 -3.012 1.00 . A A . 7 LEU HD12 1 1 10 2704 1 1 7 LEU HD13 H -0.966 0.026 -4.731 1.00 . A A . 7 LEU HD13 1 1 10 2705 1 1 7 LEU HD21 H -4.180 -0.910 -3.730 1.00 . A A . 7 LEU HD21 1 1 10 2706 1 1 7 LEU HD22 H -3.347 -1.453 -5.187 1.00 . A A . 7 LEU HD22 1 1 10 2707 1 1 7 LEU HD23 H -3.120 0.196 -4.604 1.00 . A A . 7 LEU HD23 1 1 10 2708 1 1 7 LEU HG H -2.345 -1.220 -2.407 1.00 . A A . 7 LEU HG 1 1 10 2709 1 1 7 LEU N N -2.264 -3.983 -1.775 1.00 . A A . 7 LEU N 1 1 10 2710 1 1 7 LEU O O 0.867 -2.246 -2.128 1.00 . A A . 7 LEU O 1 1 10 2711 1 1 8 MET C C 1.129 -1.928 0.933 1.00 . A A . 8 MET C 1 1 10 2712 1 1 8 MET CA C 0.078 -1.111 0.174 1.00 . A A . 8 MET CA 1 1 10 2713 1 1 8 MET CB C -0.911 -0.382 1.110 1.00 . A A . 8 MET CB 1 1 10 2714 1 1 8 MET CE C -0.365 1.135 4.684 1.00 . A A . 8 MET CE 1 1 10 2715 1 1 8 MET CG C -0.533 -0.585 2.580 1.00 . A A . 8 MET CG 1 1 10 2716 1 1 8 MET H H -1.658 -2.288 -0.354 1.00 . A A . 8 MET H 1 1 10 2717 1 1 8 MET HA H 0.573 -0.397 -0.473 1.00 . A A . 8 MET HA 1 1 10 2718 1 1 8 MET HB2 H -0.900 0.675 0.884 1.00 . A A . 8 MET HB2 1 1 10 2719 1 1 8 MET HB3 H -1.906 -0.765 0.944 1.00 . A A . 8 MET HB3 1 1 10 2720 1 1 8 MET HE1 H 0.129 1.934 4.147 1.00 . A A . 8 MET HE1 1 1 10 2721 1 1 8 MET HE2 H 0.359 0.382 4.963 1.00 . A A . 8 MET HE2 1 1 10 2722 1 1 8 MET HE3 H -0.821 1.536 5.574 1.00 . A A . 8 MET HE3 1 1 10 2723 1 1 8 MET HG2 H -0.638 -1.630 2.835 1.00 . A A . 8 MET HG2 1 1 10 2724 1 1 8 MET HG3 H 0.490 -0.276 2.735 1.00 . A A . 8 MET HG3 1 1 10 2725 1 1 8 MET N N -0.751 -2.035 -0.650 1.00 . A A . 8 MET N 1 1 10 2726 1 1 8 MET O O 2.306 -1.642 0.852 1.00 . A A . 8 MET O 1 1 10 2727 1 1 8 MET SD S -1.635 0.400 3.628 1.00 . A A . 8 MET SD 1 1 10 2728 1 1 9 LYS C C 2.593 -4.479 1.289 1.00 . A A . 9 LYS C 1 1 10 2729 1 1 9 LYS CA C 1.739 -3.792 2.341 1.00 . A A . 9 LYS CA 1 1 10 2730 1 1 9 LYS CB C 0.939 -4.793 3.174 1.00 . A A . 9 LYS CB 1 1 10 2731 1 1 9 LYS CD C 1.429 -3.675 5.369 1.00 . A A . 9 LYS CD 1 1 10 2732 1 1 9 LYS CE C 2.580 -3.520 6.373 1.00 . A A . 9 LYS CE 1 1 10 2733 1 1 9 LYS CG C 1.613 -4.962 4.543 1.00 . A A . 9 LYS CG 1 1 10 2734 1 1 9 LYS H H -0.216 -3.214 1.664 1.00 . A A . 9 LYS H 1 1 10 2735 1 1 9 LYS HA H 2.353 -3.181 2.970 1.00 . A A . 9 LYS HA 1 1 10 2736 1 1 9 LYS HB2 H -0.072 -4.426 3.310 1.00 . A A . 9 LYS HB2 1 1 10 2737 1 1 9 LYS HB3 H 0.910 -5.741 2.663 1.00 . A A . 9 LYS HB3 1 1 10 2738 1 1 9 LYS HD2 H 1.414 -2.821 4.711 1.00 . A A . 9 LYS HD2 1 1 10 2739 1 1 9 LYS HD3 H 0.494 -3.726 5.907 1.00 . A A . 9 LYS HD3 1 1 10 2740 1 1 9 LYS HE2 H 2.232 -3.016 7.266 1.00 . A A . 9 LYS HE2 1 1 10 2741 1 1 9 LYS HE3 H 2.989 -4.488 6.625 1.00 . A A . 9 LYS HE3 1 1 10 2742 1 1 9 LYS HG2 H 1.167 -5.796 5.063 1.00 . A A . 9 LYS HG2 1 1 10 2743 1 1 9 LYS HG3 H 2.668 -5.151 4.403 1.00 . A A . 9 LYS HG3 1 1 10 2744 1 1 9 LYS HZ1 H 3.151 -1.980 5.066 1.00 . A A . 9 LYS HZ1 1 1 10 2745 1 1 9 LYS HZ2 H 4.220 -3.306 5.110 1.00 . A A . 9 LYS HZ2 1 1 10 2746 1 1 9 LYS HZ3 H 4.187 -2.207 6.401 1.00 . A A . 9 LYS HZ3 1 1 10 2747 1 1 9 LYS N N 0.731 -2.965 1.635 1.00 . A A . 9 LYS N 1 1 10 2748 1 1 9 LYS NZ N 3.610 -2.693 5.683 1.00 . A A . 9 LYS NZ 1 1 10 2749 1 1 9 LYS O O 3.796 -4.594 1.426 1.00 . A A . 9 LYS O 1 1 10 2750 1 1 10 ALA C C 3.817 -4.554 -1.303 1.00 . A A . 10 ALA C 1 1 10 2751 1 1 10 ALA CA C 2.720 -5.487 -0.921 1.00 . A A . 10 ALA CA 1 1 10 2752 1 1 10 ALA CB C 1.766 -5.461 -2.107 1.00 . A A . 10 ALA CB 1 1 10 2753 1 1 10 ALA H H 1.007 -4.714 0.126 1.00 . A A . 10 ALA H 1 1 10 2754 1 1 10 ALA HA H 3.076 -6.479 -0.702 1.00 . A A . 10 ALA HA 1 1 10 2755 1 1 10 ALA HB1 H 2.344 -5.533 -3.022 1.00 . A A . 10 ALA HB1 1 1 10 2756 1 1 10 ALA HB2 H 1.237 -4.512 -2.109 1.00 . A A . 10 ALA HB2 1 1 10 2757 1 1 10 ALA HB3 H 1.073 -6.267 -2.042 1.00 . A A . 10 ALA HB3 1 1 10 2758 1 1 10 ALA N N 1.970 -4.873 0.209 1.00 . A A . 10 ALA N 1 1 10 2759 1 1 10 ALA O O 4.991 -4.869 -1.315 1.00 . A A . 10 ALA O 1 1 10 2760 1 1 11 PHE C C 5.276 -2.021 -1.041 1.00 . A A . 11 PHE C 1 1 10 2761 1 1 11 PHE CA C 4.284 -2.358 -2.104 1.00 . A A . 11 PHE CA 1 1 10 2762 1 1 11 PHE CB C 3.408 -1.168 -2.312 1.00 . A A . 11 PHE CB 1 1 10 2763 1 1 11 PHE CD1 C 4.767 -0.010 -3.990 1.00 . A A . 11 PHE CD1 1 1 10 2764 1 1 11 PHE CD2 C 4.690 0.855 -1.737 1.00 . A A . 11 PHE CD2 1 1 10 2765 1 1 11 PHE CE1 C 5.626 1.026 -4.372 1.00 . A A . 11 PHE CE1 1 1 10 2766 1 1 11 PHE CE2 C 5.556 1.897 -2.097 1.00 . A A . 11 PHE CE2 1 1 10 2767 1 1 11 PHE CG C 4.311 -0.073 -2.690 1.00 . A A . 11 PHE CG 1 1 10 2768 1 1 11 PHE CZ C 6.021 1.986 -3.422 1.00 . A A . 11 PHE CZ 1 1 10 2769 1 1 11 PHE H H 2.418 -3.214 -1.661 1.00 . A A . 11 PHE H 1 1 10 2770 1 1 11 PHE HA H 4.769 -2.623 -3.018 1.00 . A A . 11 PHE HA 1 1 10 2771 1 1 11 PHE HB2 H 2.689 -1.358 -3.087 1.00 . A A . 11 PHE HB2 1 1 10 2772 1 1 11 PHE HB3 H 2.899 -0.917 -1.394 1.00 . A A . 11 PHE HB3 1 1 10 2773 1 1 11 PHE HD1 H 4.461 -0.787 -4.695 1.00 . A A . 11 PHE HD1 1 1 10 2774 1 1 11 PHE HD2 H 4.335 0.739 -0.708 1.00 . A A . 11 PHE HD2 1 1 10 2775 1 1 11 PHE HE1 H 5.988 1.082 -5.390 1.00 . A A . 11 PHE HE1 1 1 10 2776 1 1 11 PHE HE2 H 5.857 2.634 -1.366 1.00 . A A . 11 PHE HE2 1 1 10 2777 1 1 11 PHE HZ H 6.685 2.791 -3.708 1.00 . A A . 11 PHE HZ 1 1 10 2778 1 1 11 PHE N N 3.384 -3.394 -1.664 1.00 . A A . 11 PHE N 1 1 10 2779 1 1 11 PHE O O 6.455 -2.055 -1.266 1.00 . A A . 11 PHE O 1 1 10 2780 1 1 12 GLU C C 6.809 -2.402 1.294 1.00 . A A . 12 GLU C 1 1 10 2781 1 1 12 GLU CA C 5.775 -1.271 1.153 1.00 . A A . 12 GLU CA 1 1 10 2782 1 1 12 GLU CB C 4.959 -1.102 2.435 1.00 . A A . 12 GLU CB 1 1 10 2783 1 1 12 GLU CD C 3.189 0.253 3.584 1.00 . A A . 12 GLU CD 1 1 10 2784 1 1 12 GLU CG C 4.099 0.163 2.355 1.00 . A A . 12 GLU CG 1 1 10 2785 1 1 12 GLU H H 3.848 -1.595 0.256 1.00 . A A . 12 GLU H 1 1 10 2786 1 1 12 GLU HA H 6.240 -0.337 0.853 1.00 . A A . 12 GLU HA 1 1 10 2787 1 1 12 GLU HB2 H 4.321 -1.959 2.566 1.00 . A A . 12 GLU HB2 1 1 10 2788 1 1 12 GLU HB3 H 5.628 -1.026 3.269 1.00 . A A . 12 GLU HB3 1 1 10 2789 1 1 12 GLU HG2 H 4.741 1.032 2.320 1.00 . A A . 12 GLU HG2 1 1 10 2790 1 1 12 GLU HG3 H 3.491 0.127 1.466 1.00 . A A . 12 GLU HG3 1 1 10 2791 1 1 12 GLU N N 4.817 -1.650 0.103 1.00 . A A . 12 GLU N 1 1 10 2792 1 1 12 GLU O O 8.004 -2.172 1.344 1.00 . A A . 12 GLU O 1 1 10 2793 1 1 12 GLU OE1 O 2.743 -0.780 4.064 1.00 . A A . 12 GLU OE1 1 1 10 2794 1 1 12 GLU OE2 O 2.958 1.357 4.030 1.00 . A A . 12 GLU OE2 1 1 10 2795 1 1 13 SER C C 8.183 -4.785 0.130 1.00 . A A . 13 SER C 1 1 10 2796 1 1 13 SER CA C 7.261 -4.805 1.359 1.00 . A A . 13 SER CA 1 1 10 2797 1 1 13 SER CB C 6.338 -6.024 1.332 1.00 . A A . 13 SER CB 1 1 10 2798 1 1 13 SER H H 5.368 -3.776 1.222 1.00 . A A . 13 SER H 1 1 10 2799 1 1 13 SER HA H 7.841 -4.787 2.263 1.00 . A A . 13 SER HA 1 1 10 2800 1 1 13 SER HB2 H 5.598 -5.900 0.554 1.00 . A A . 13 SER HB2 1 1 10 2801 1 1 13 SER HB3 H 6.920 -6.916 1.135 1.00 . A A . 13 SER HB3 1 1 10 2802 1 1 13 SER HG H 4.812 -5.721 2.499 1.00 . A A . 13 SER HG 1 1 10 2803 1 1 13 SER N N 6.339 -3.630 1.297 1.00 . A A . 13 SER N 1 1 10 2804 1 1 13 SER O O 9.268 -5.331 0.144 1.00 . A A . 13 SER O 1 1 10 2805 1 1 13 SER OG O 5.681 -6.132 2.588 1.00 . A A . 13 SER OG 1 1 10 2806 1 1 14 LEU C C 9.408 -2.717 -2.022 1.00 . A A . 14 LEU C 1 1 10 2807 1 1 14 LEU CA C 8.578 -3.994 -2.143 1.00 . A A . 14 LEU CA 1 1 10 2808 1 1 14 LEU CB C 7.525 -3.989 -3.286 1.00 . A A . 14 LEU CB 1 1 10 2809 1 1 14 LEU CD1 C 7.685 -1.599 -3.994 1.00 . A A . 14 LEU CD1 1 1 10 2810 1 1 14 LEU CD2 C 9.282 -3.249 -4.944 1.00 . A A . 14 LEU CD2 1 1 10 2811 1 1 14 LEU CG C 7.859 -3.034 -4.441 1.00 . A A . 14 LEU CG 1 1 10 2812 1 1 14 LEU H H 6.893 -3.672 -0.870 1.00 . A A . 14 LEU H 1 1 10 2813 1 1 14 LEU HA H 9.232 -4.830 -2.229 1.00 . A A . 14 LEU HA 1 1 10 2814 1 1 14 LEU HB2 H 7.444 -4.984 -3.686 1.00 . A A . 14 LEU HB2 1 1 10 2815 1 1 14 LEU HB3 H 6.566 -3.706 -2.867 1.00 . A A . 14 LEU HB3 1 1 10 2816 1 1 14 LEU HD11 H 8.640 -1.191 -3.701 1.00 . A A . 14 LEU HD11 1 1 10 2817 1 1 14 LEU HD12 H 7.005 -1.571 -3.155 1.00 . A A . 14 LEU HD12 1 1 10 2818 1 1 14 LEU HD13 H 7.280 -1.026 -4.807 1.00 . A A . 14 LEU HD13 1 1 10 2819 1 1 14 LEU HD21 H 9.621 -2.363 -5.459 1.00 . A A . 14 LEU HD21 1 1 10 2820 1 1 14 LEU HD22 H 9.292 -4.085 -5.626 1.00 . A A . 14 LEU HD22 1 1 10 2821 1 1 14 LEU HD23 H 9.935 -3.454 -4.114 1.00 . A A . 14 LEU HD23 1 1 10 2822 1 1 14 LEU HG H 7.170 -3.223 -5.249 1.00 . A A . 14 LEU HG 1 1 10 2823 1 1 14 LEU N N 7.759 -4.121 -0.910 1.00 . A A . 14 LEU N 1 1 10 2824 1 1 14 LEU O O 10.575 -2.684 -2.352 1.00 . A A . 14 LEU O 1 1 10 2825 1 1 15 LYS C C 10.826 -0.830 -0.459 1.00 . A A . 15 LYS C 1 1 10 2826 1 1 15 LYS CA C 9.554 -0.439 -1.197 1.00 . A A . 15 LYS CA 1 1 10 2827 1 1 15 LYS CB C 8.559 0.294 -0.293 1.00 . A A . 15 LYS CB 1 1 10 2828 1 1 15 LYS CD C 10.159 1.931 0.747 1.00 . A A . 15 LYS CD 1 1 10 2829 1 1 15 LYS CE C 11.319 1.894 1.753 1.00 . A A . 15 LYS CE 1 1 10 2830 1 1 15 LYS CG C 9.209 0.755 1.008 1.00 . A A . 15 LYS CG 1 1 10 2831 1 1 15 LYS H H 7.908 -1.782 -1.137 1.00 . A A . 15 LYS H 1 1 10 2832 1 1 15 LYS HA H 9.753 0.113 -2.104 1.00 . A A . 15 LYS HA 1 1 10 2833 1 1 15 LYS HB2 H 8.164 1.122 -0.808 1.00 . A A . 15 LYS HB2 1 1 10 2834 1 1 15 LYS HB3 H 7.749 -0.378 -0.054 1.00 . A A . 15 LYS HB3 1 1 10 2835 1 1 15 LYS HD2 H 10.552 1.864 -0.258 1.00 . A A . 15 LYS HD2 1 1 10 2836 1 1 15 LYS HD3 H 9.620 2.859 0.861 1.00 . A A . 15 LYS HD3 1 1 10 2837 1 1 15 LYS HE2 H 11.366 2.827 2.298 1.00 . A A . 15 LYS HE2 1 1 10 2838 1 1 15 LYS HE3 H 11.203 1.066 2.437 1.00 . A A . 15 LYS HE3 1 1 10 2839 1 1 15 LYS HG2 H 8.432 1.056 1.692 1.00 . A A . 15 LYS HG2 1 1 10 2840 1 1 15 LYS HG3 H 9.759 -0.065 1.434 1.00 . A A . 15 LYS HG3 1 1 10 2841 1 1 15 LYS HZ1 H 12.691 2.543 0.331 1.00 . A A . 15 LYS HZ1 1 1 10 2842 1 1 15 LYS HZ2 H 12.447 0.866 0.323 1.00 . A A . 15 LYS HZ2 1 1 10 2843 1 1 15 LYS HZ3 H 13.365 1.588 1.558 1.00 . A A . 15 LYS HZ3 1 1 10 2844 1 1 15 LYS N N 8.828 -1.697 -1.460 1.00 . A A . 15 LYS N 1 1 10 2845 1 1 15 LYS NZ N 12.545 1.709 0.929 1.00 . A A . 15 LYS NZ 1 1 10 2846 1 1 15 LYS O O 11.917 -0.358 -0.726 1.00 . A A . 15 LYS O 1 1 10 2847 1 1 16 SER C C 13.006 -2.493 0.451 1.00 . A A . 16 SER C 1 1 10 2848 1 1 16 SER CA C 11.742 -2.283 1.290 1.00 . A A . 16 SER CA 1 1 10 2849 1 1 16 SER CB C 11.193 -3.633 1.771 1.00 . A A . 16 SER CB 1 1 10 2850 1 1 16 SER H H 9.714 -2.047 0.605 1.00 . A A . 16 SER H 1 1 10 2851 1 1 16 SER HA H 11.947 -1.651 2.127 1.00 . A A . 16 SER HA 1 1 10 2852 1 1 16 SER HB2 H 10.372 -3.935 1.133 1.00 . A A . 16 SER HB2 1 1 10 2853 1 1 16 SER HB3 H 11.973 -4.384 1.719 1.00 . A A . 16 SER HB3 1 1 10 2854 1 1 16 SER HG H 9.823 -3.138 3.066 1.00 . A A . 16 SER HG 1 1 10 2855 1 1 16 SER N N 10.635 -1.727 0.463 1.00 . A A . 16 SER N 1 1 10 2856 1 1 16 SER O O 14.057 -1.962 0.750 1.00 . A A . 16 SER O 1 1 10 2857 1 1 16 SER OG O 10.720 -3.495 3.105 1.00 . A A . 16 SER OG 1 1 10 2858 1 1 17 PHE C C 14.092 -2.627 -2.684 1.00 . A A . 17 PHE C 1 1 10 2859 1 1 17 PHE CA C 14.100 -3.526 -1.440 1.00 . A A . 17 PHE CA 1 1 10 2860 1 1 17 PHE CB C 14.008 -5.010 -1.816 1.00 . A A . 17 PHE CB 1 1 10 2861 1 1 17 PHE CD1 C 12.379 -4.980 -3.738 1.00 . A A . 17 PHE CD1 1 1 10 2862 1 1 17 PHE CD2 C 11.740 -6.059 -1.673 1.00 . A A . 17 PHE CD2 1 1 10 2863 1 1 17 PHE CE1 C 11.151 -5.320 -4.299 1.00 . A A . 17 PHE CE1 1 1 10 2864 1 1 17 PHE CE2 C 10.510 -6.397 -2.228 1.00 . A A . 17 PHE CE2 1 1 10 2865 1 1 17 PHE CG C 12.674 -5.354 -2.428 1.00 . A A . 17 PHE CG 1 1 10 2866 1 1 17 PHE CZ C 10.211 -6.025 -3.547 1.00 . A A . 17 PHE CZ 1 1 10 2867 1 1 17 PHE H H 12.059 -3.685 -0.801 1.00 . A A . 17 PHE H 1 1 10 2868 1 1 17 PHE HA H 15.004 -3.357 -0.871 1.00 . A A . 17 PHE HA 1 1 10 2869 1 1 17 PHE HB2 H 14.778 -5.242 -2.518 1.00 . A A . 17 PHE HB2 1 1 10 2870 1 1 17 PHE HB3 H 14.142 -5.604 -0.927 1.00 . A A . 17 PHE HB3 1 1 10 2871 1 1 17 PHE HD1 H 13.106 -4.435 -4.320 1.00 . A A . 17 PHE HD1 1 1 10 2872 1 1 17 PHE HD2 H 11.972 -6.344 -0.656 1.00 . A A . 17 PHE HD2 1 1 10 2873 1 1 17 PHE HE1 H 10.913 -5.010 -5.304 1.00 . A A . 17 PHE HE1 1 1 10 2874 1 1 17 PHE HE2 H 9.774 -6.921 -1.634 1.00 . A A . 17 PHE HE2 1 1 10 2875 1 1 17 PHE HZ H 9.255 -6.287 -3.982 1.00 . A A . 17 PHE HZ 1 1 10 2876 1 1 17 PHE N N 12.911 -3.267 -0.586 1.00 . A A . 17 PHE N 1 1 10 2877 1 1 17 PHE O O 15.133 -2.315 -3.235 1.00 . A A . 17 PHE O 1 1 10 2878 1 1 18 NH2 HN1 H 12.111 -2.442 -2.725 1.00 . A A . 18 NH2 HN1 1 1 10 2879 1 1 18 NH2 HN2 H 12.951 -1.617 -3.950 1.00 . A A . 18 NH2 HN2 1 1 10 2880 1 1 18 NH2 N N 12.960 -2.189 -3.159 1.00 . A A . 18 NH2 N 1 1 11 2881 1 1 1 MET C C -12.428 -0.991 3.690 1.00 . A A . 1 MET C 1 1 11 2882 1 1 1 MET CA C -13.514 -0.261 4.485 1.00 . A A . 1 MET CA 1 1 11 2883 1 1 1 MET CB C -14.592 0.285 3.535 1.00 . A A . 1 MET CB 1 1 11 2884 1 1 1 MET CE C -17.754 0.596 2.398 1.00 . A A . 1 MET CE 1 1 11 2885 1 1 1 MET CG C -15.844 0.677 4.331 1.00 . A A . 1 MET CG 1 1 11 2886 1 1 1 MET H1 H -13.658 1.642 5.329 1.00 . A A . 1 MET H1 1 1 11 2887 1 1 1 MET H2 H -12.182 1.339 4.556 1.00 . A A . 1 MET H2 1 1 11 2888 1 1 1 MET H3 H -12.506 0.642 6.066 1.00 . A A . 1 MET H3 1 1 11 2889 1 1 1 MET HA H -13.961 -0.921 5.212 1.00 . A A . 1 MET HA 1 1 11 2890 1 1 1 MET HB2 H -14.208 1.153 3.015 1.00 . A A . 1 MET HB2 1 1 11 2891 1 1 1 MET HB3 H -14.851 -0.477 2.815 1.00 . A A . 1 MET HB3 1 1 11 2892 1 1 1 MET HE1 H -17.674 -0.007 1.505 1.00 . A A . 1 MET HE1 1 1 11 2893 1 1 1 MET HE2 H -17.127 1.473 2.305 1.00 . A A . 1 MET HE2 1 1 11 2894 1 1 1 MET HE3 H -18.779 0.903 2.529 1.00 . A A . 1 MET HE3 1 1 11 2895 1 1 1 MET HG2 H -15.660 0.547 5.389 1.00 . A A . 1 MET HG2 1 1 11 2896 1 1 1 MET HG3 H -16.089 1.711 4.135 1.00 . A A . 1 MET HG3 1 1 11 2897 1 1 1 MET N N -12.922 0.931 5.160 1.00 . A A . 1 MET N 1 1 11 2898 1 1 1 MET O O -11.568 -0.368 3.094 1.00 . A A . 1 MET O 1 1 11 2899 1 1 1 MET SD S -17.225 -0.376 3.830 1.00 . A A . 1 MET SD 1 1 11 2900 1 1 2 ALA C C -11.587 -2.787 1.411 1.00 . A A . 2 ALA C 1 1 11 2901 1 1 2 ALA CA C -11.430 -3.065 2.906 1.00 . A A . 2 ALA CA 1 1 11 2902 1 1 2 ALA CB C -11.701 -4.542 3.203 1.00 . A A . 2 ALA CB 1 1 11 2903 1 1 2 ALA H H -13.166 -2.779 4.159 1.00 . A A . 2 ALA H 1 1 11 2904 1 1 2 ALA HA H -10.436 -2.800 3.238 1.00 . A A . 2 ALA HA 1 1 11 2905 1 1 2 ALA HB1 H -11.937 -4.663 4.248 1.00 . A A . 2 ALA HB1 1 1 11 2906 1 1 2 ALA HB2 H -10.823 -5.122 2.961 1.00 . A A . 2 ALA HB2 1 1 11 2907 1 1 2 ALA HB3 H -12.532 -4.880 2.603 1.00 . A A . 2 ALA HB3 1 1 11 2908 1 1 2 ALA N N -12.460 -2.301 3.673 1.00 . A A . 2 ALA N 1 1 11 2909 1 1 2 ALA O O -12.618 -3.083 0.825 1.00 . A A . 2 ALA O 1 1 11 2910 1 1 3 THR C C -9.349 -2.231 -1.373 1.00 . A A . 3 THR C 1 1 11 2911 1 1 3 THR CA C -10.682 -1.919 -0.663 1.00 . A A . 3 THR CA 1 1 11 2912 1 1 3 THR CB C -11.025 -0.414 -0.755 1.00 . A A . 3 THR CB 1 1 11 2913 1 1 3 THR CG2 C -11.883 -0.171 -1.999 1.00 . A A . 3 THR CG2 1 1 11 2914 1 1 3 THR H H -9.771 -1.998 1.289 1.00 . A A . 3 THR H 1 1 11 2915 1 1 3 THR HA H -11.475 -2.496 -1.109 1.00 . A A . 3 THR HA 1 1 11 2916 1 1 3 THR HB H -10.116 0.161 -0.838 1.00 . A A . 3 THR HB 1 1 11 2917 1 1 3 THR HG1 H -11.114 0.154 1.125 1.00 . A A . 3 THR HG1 1 1 11 2918 1 1 3 THR HG21 H -12.891 -0.512 -1.815 1.00 . A A . 3 THR HG21 1 1 11 2919 1 1 3 THR HG22 H -11.468 -0.717 -2.835 1.00 . A A . 3 THR HG22 1 1 11 2920 1 1 3 THR HG23 H -11.896 0.885 -2.231 1.00 . A A . 3 THR HG23 1 1 11 2921 1 1 3 THR N N -10.588 -2.221 0.793 1.00 . A A . 3 THR N 1 1 11 2922 1 1 3 THR O O -9.257 -3.181 -2.129 1.00 . A A . 3 THR O 1 1 11 2923 1 1 3 THR OG1 O -11.750 0.005 0.406 1.00 . A A . 3 THR OG1 1 1 11 2924 1 1 4 LEU C C -5.828 -1.601 -0.873 1.00 . A A . 4 LEU C 1 1 11 2925 1 1 4 LEU CA C -7.020 -1.706 -1.838 1.00 . A A . 4 LEU CA 1 1 11 2926 1 1 4 LEU CB C -6.920 -0.624 -2.922 1.00 . A A . 4 LEU CB 1 1 11 2927 1 1 4 LEU CD1 C -6.790 -0.190 -5.389 1.00 . A A . 4 LEU CD1 1 1 11 2928 1 1 4 LEU CD2 C -5.703 -2.222 -4.422 1.00 . A A . 4 LEU CD2 1 1 11 2929 1 1 4 LEU CG C -6.902 -1.274 -4.312 1.00 . A A . 4 LEU CG 1 1 11 2930 1 1 4 LEU H H -8.409 -0.680 -0.544 1.00 . A A . 4 LEU H 1 1 11 2931 1 1 4 LEU HA H -7.033 -2.677 -2.301 1.00 . A A . 4 LEU HA 1 1 11 2932 1 1 4 LEU HB2 H -7.770 0.040 -2.846 1.00 . A A . 4 LEU HB2 1 1 11 2933 1 1 4 LEU HB3 H -6.010 -0.060 -2.780 1.00 . A A . 4 LEU HB3 1 1 11 2934 1 1 4 LEU HD11 H -7.251 0.720 -5.037 1.00 . A A . 4 LEU HD11 1 1 11 2935 1 1 4 LEU HD12 H -7.294 -0.522 -6.284 1.00 . A A . 4 LEU HD12 1 1 11 2936 1 1 4 LEU HD13 H -5.748 -0.008 -5.613 1.00 . A A . 4 LEU HD13 1 1 11 2937 1 1 4 LEU HD21 H -5.229 -2.097 -5.386 1.00 . A A . 4 LEU HD21 1 1 11 2938 1 1 4 LEU HD22 H -6.039 -3.242 -4.321 1.00 . A A . 4 LEU HD22 1 1 11 2939 1 1 4 LEU HD23 H -4.991 -1.995 -3.639 1.00 . A A . 4 LEU HD23 1 1 11 2940 1 1 4 LEU HG H -7.817 -1.831 -4.459 1.00 . A A . 4 LEU HG 1 1 11 2941 1 1 4 LEU N N -8.323 -1.444 -1.151 1.00 . A A . 4 LEU N 1 1 11 2942 1 1 4 LEU O O -4.713 -1.371 -1.298 1.00 . A A . 4 LEU O 1 1 11 2943 1 1 5 GLU C C -3.850 -2.817 1.011 1.00 . A A . 5 GLU C 1 1 11 2944 1 1 5 GLU CA C -4.866 -1.717 1.353 1.00 . A A . 5 GLU CA 1 1 11 2945 1 1 5 GLU CB C -5.436 -1.930 2.759 1.00 . A A . 5 GLU CB 1 1 11 2946 1 1 5 GLU CD C -7.683 -2.994 2.844 1.00 . A A . 5 GLU CD 1 1 11 2947 1 1 5 GLU CG C -6.187 -3.263 2.835 1.00 . A A . 5 GLU CG 1 1 11 2948 1 1 5 GLU H H -6.931 -1.995 0.741 1.00 . A A . 5 GLU H 1 1 11 2949 1 1 5 GLU HA H -4.399 -0.745 1.291 1.00 . A A . 5 GLU HA 1 1 11 2950 1 1 5 GLU HB2 H -4.624 -1.939 3.473 1.00 . A A . 5 GLU HB2 1 1 11 2951 1 1 5 GLU HB3 H -6.112 -1.123 2.995 1.00 . A A . 5 GLU HB3 1 1 11 2952 1 1 5 GLU HG2 H -5.933 -3.875 1.982 1.00 . A A . 5 GLU HG2 1 1 11 2953 1 1 5 GLU HG3 H -5.909 -3.779 3.742 1.00 . A A . 5 GLU HG3 1 1 11 2954 1 1 5 GLU N N -6.031 -1.788 0.407 1.00 . A A . 5 GLU N 1 1 11 2955 1 1 5 GLU O O -2.701 -2.762 1.411 1.00 . A A . 5 GLU O 1 1 11 2956 1 1 5 GLU OE1 O -8.173 -2.517 3.848 1.00 . A A . 5 GLU OE1 1 1 11 2957 1 1 5 GLU OE2 O -8.314 -3.258 1.840 1.00 . A A . 5 GLU OE2 1 1 11 2958 1 1 6 LYS C C -2.138 -4.377 -0.858 1.00 . A A . 6 LYS C 1 1 11 2959 1 1 6 LYS CA C -3.346 -4.925 -0.115 1.00 . A A . 6 LYS CA 1 1 11 2960 1 1 6 LYS CB C -4.172 -5.822 -1.038 1.00 . A A . 6 LYS CB 1 1 11 2961 1 1 6 LYS CD C -6.209 -6.362 0.327 1.00 . A A . 6 LYS CD 1 1 11 2962 1 1 6 LYS CE C -7.304 -7.440 0.236 1.00 . A A . 6 LYS CE 1 1 11 2963 1 1 6 LYS CG C -4.881 -6.906 -0.220 1.00 . A A . 6 LYS CG 1 1 11 2964 1 1 6 LYS H H -5.197 -3.833 -0.037 1.00 . A A . 6 LYS H 1 1 11 2965 1 1 6 LYS HA H -3.026 -5.462 0.752 1.00 . A A . 6 LYS HA 1 1 11 2966 1 1 6 LYS HB2 H -4.903 -5.224 -1.562 1.00 . A A . 6 LYS HB2 1 1 11 2967 1 1 6 LYS HB3 H -3.514 -6.282 -1.757 1.00 . A A . 6 LYS HB3 1 1 11 2968 1 1 6 LYS HD2 H -6.077 -6.070 1.358 1.00 . A A . 6 LYS HD2 1 1 11 2969 1 1 6 LYS HD3 H -6.511 -5.502 -0.251 1.00 . A A . 6 LYS HD3 1 1 11 2970 1 1 6 LYS HE2 H -8.267 -7.002 0.461 1.00 . A A . 6 LYS HE2 1 1 11 2971 1 1 6 LYS HE3 H -7.317 -7.883 -0.748 1.00 . A A . 6 LYS HE3 1 1 11 2972 1 1 6 LYS HG2 H -5.073 -7.763 -0.848 1.00 . A A . 6 LYS HG2 1 1 11 2973 1 1 6 LYS HG3 H -4.250 -7.200 0.608 1.00 . A A . 6 LYS HG3 1 1 11 2974 1 1 6 LYS HZ1 H -7.506 -8.307 2.119 1.00 . A A . 6 LYS HZ1 1 1 11 2975 1 1 6 LYS HZ2 H -5.938 -8.405 1.493 1.00 . A A . 6 LYS HZ2 1 1 11 2976 1 1 6 LYS HZ3 H -7.157 -9.417 0.884 1.00 . A A . 6 LYS HZ3 1 1 11 2977 1 1 6 LYS N N -4.269 -3.815 0.269 1.00 . A A . 6 LYS N 1 1 11 2978 1 1 6 LYS NZ N -6.947 -8.470 1.260 1.00 . A A . 6 LYS NZ 1 1 11 2979 1 1 6 LYS O O -1.006 -4.668 -0.517 1.00 . A A . 6 LYS O 1 1 11 2980 1 1 7 LEU C C -0.289 -2.237 -1.653 1.00 . A A . 7 LEU C 1 1 11 2981 1 1 7 LEU CA C -1.223 -2.990 -2.616 1.00 . A A . 7 LEU CA 1 1 11 2982 1 1 7 LEU CB C -1.848 -2.032 -3.647 1.00 . A A . 7 LEU CB 1 1 11 2983 1 1 7 LEU CD1 C -0.790 0.214 -3.286 1.00 . A A . 7 LEU CD1 1 1 11 2984 1 1 7 LEU CD2 C -3.240 0.050 -3.742 1.00 . A A . 7 LEU CD2 1 1 11 2985 1 1 7 LEU CG C -2.050 -0.629 -3.051 1.00 . A A . 7 LEU CG 1 1 11 2986 1 1 7 LEU H H -3.290 -3.362 -2.114 1.00 . A A . 7 LEU H 1 1 11 2987 1 1 7 LEU HA H -0.678 -3.769 -3.124 1.00 . A A . 7 LEU HA 1 1 11 2988 1 1 7 LEU HB2 H -1.193 -1.962 -4.501 1.00 . A A . 7 LEU HB2 1 1 11 2989 1 1 7 LEU HB3 H -2.803 -2.427 -3.963 1.00 . A A . 7 LEU HB3 1 1 11 2990 1 1 7 LEU HD11 H 0.067 -0.438 -3.391 1.00 . A A . 7 LEU HD11 1 1 11 2991 1 1 7 LEU HD12 H -0.635 0.875 -2.448 1.00 . A A . 7 LEU HD12 1 1 11 2992 1 1 7 LEU HD13 H -0.910 0.798 -4.186 1.00 . A A . 7 LEU HD13 1 1 11 2993 1 1 7 LEU HD21 H -2.963 1.052 -4.036 1.00 . A A . 7 LEU HD21 1 1 11 2994 1 1 7 LEU HD22 H -4.076 0.093 -3.057 1.00 . A A . 7 LEU HD22 1 1 11 2995 1 1 7 LEU HD23 H -3.522 -0.517 -4.617 1.00 . A A . 7 LEU HD23 1 1 11 2996 1 1 7 LEU HG H -2.242 -0.707 -1.990 1.00 . A A . 7 LEU HG 1 1 11 2997 1 1 7 LEU N N -2.367 -3.577 -1.861 1.00 . A A . 7 LEU N 1 1 11 2998 1 1 7 LEU O O 0.845 -1.960 -1.981 1.00 . A A . 7 LEU O 1 1 11 2999 1 1 8 MET C C 1.138 -2.208 1.093 1.00 . A A . 8 MET C 1 1 11 3000 1 1 8 MET CA C 0.151 -1.205 0.498 1.00 . A A . 8 MET CA 1 1 11 3001 1 1 8 MET CB C -0.793 -0.571 1.543 1.00 . A A . 8 MET CB 1 1 11 3002 1 1 8 MET CE C -1.915 1.040 3.901 1.00 . A A . 8 MET CE 1 1 11 3003 1 1 8 MET CG C -0.533 -1.115 2.956 1.00 . A A . 8 MET CG 1 1 11 3004 1 1 8 MET H H -1.653 -2.181 -0.187 1.00 . A A . 8 MET H 1 1 11 3005 1 1 8 MET HA H 0.695 -0.433 -0.026 1.00 . A A . 8 MET HA 1 1 11 3006 1 1 8 MET HB2 H -0.645 0.500 1.546 1.00 . A A . 8 MET HB2 1 1 11 3007 1 1 8 MET HB3 H -1.815 -0.782 1.265 1.00 . A A . 8 MET HB3 1 1 11 3008 1 1 8 MET HE1 H -1.827 1.453 4.897 1.00 . A A . 8 MET HE1 1 1 11 3009 1 1 8 MET HE2 H -2.824 1.401 3.437 1.00 . A A . 8 MET HE2 1 1 11 3010 1 1 8 MET HE3 H -1.066 1.348 3.314 1.00 . A A . 8 MET HE3 1 1 11 3011 1 1 8 MET HG2 H -0.379 -2.181 2.913 1.00 . A A . 8 MET HG2 1 1 11 3012 1 1 8 MET HG3 H 0.344 -0.641 3.372 1.00 . A A . 8 MET HG3 1 1 11 3013 1 1 8 MET N N -0.740 -1.924 -0.460 1.00 . A A . 8 MET N 1 1 11 3014 1 1 8 MET O O 2.326 -1.964 1.120 1.00 . A A . 8 MET O 1 1 11 3015 1 1 8 MET SD S -1.968 -0.767 4.006 1.00 . A A . 8 MET SD 1 1 11 3016 1 1 9 LYS C C 2.475 -4.828 0.890 1.00 . A A . 9 LYS C 1 1 11 3017 1 1 9 LYS CA C 1.608 -4.376 2.047 1.00 . A A . 9 LYS CA 1 1 11 3018 1 1 9 LYS CB C 0.733 -5.515 2.574 1.00 . A A . 9 LYS CB 1 1 11 3019 1 1 9 LYS CD C 0.797 -6.008 5.031 1.00 . A A . 9 LYS CD 1 1 11 3020 1 1 9 LYS CE C 1.000 -7.220 5.949 1.00 . A A . 9 LYS CE 1 1 11 3021 1 1 9 LYS CG C 1.476 -6.266 3.683 1.00 . A A . 9 LYS CG 1 1 11 3022 1 1 9 LYS H H -0.286 -3.552 1.449 1.00 . A A . 9 LYS H 1 1 11 3023 1 1 9 LYS HA H 2.218 -3.963 2.821 1.00 . A A . 9 LYS HA 1 1 11 3024 1 1 9 LYS HB2 H -0.188 -5.109 2.967 1.00 . A A . 9 LYS HB2 1 1 11 3025 1 1 9 LYS HB3 H 0.506 -6.200 1.766 1.00 . A A . 9 LYS HB3 1 1 11 3026 1 1 9 LYS HD2 H 1.228 -5.128 5.488 1.00 . A A . 9 LYS HD2 1 1 11 3027 1 1 9 LYS HD3 H -0.262 -5.850 4.876 1.00 . A A . 9 LYS HD3 1 1 11 3028 1 1 9 LYS HE2 H 0.527 -7.046 6.909 1.00 . A A . 9 LYS HE2 1 1 11 3029 1 1 9 LYS HE3 H 0.596 -8.109 5.490 1.00 . A A . 9 LYS HE3 1 1 11 3030 1 1 9 LYS HG2 H 1.462 -7.326 3.470 1.00 . A A . 9 LYS HG2 1 1 11 3031 1 1 9 LYS HG3 H 2.502 -5.923 3.726 1.00 . A A . 9 LYS HG3 1 1 11 3032 1 1 9 LYS HZ1 H 2.921 -6.411 6.156 1.00 . A A . 9 LYS HZ1 1 1 11 3033 1 1 9 LYS HZ2 H 2.877 -7.873 5.299 1.00 . A A . 9 LYS HZ2 1 1 11 3034 1 1 9 LYS HZ3 H 2.685 -7.871 6.983 1.00 . A A . 9 LYS HZ3 1 1 11 3035 1 1 9 LYS N N 0.670 -3.355 1.518 1.00 . A A . 9 LYS N 1 1 11 3036 1 1 9 LYS NZ N 2.481 -7.352 6.107 1.00 . A A . 9 LYS NZ 1 1 11 3037 1 1 9 LYS O O 3.681 -4.898 0.991 1.00 . A A . 9 LYS O 1 1 11 3038 1 1 10 ALA C C 3.754 -4.513 -1.633 1.00 . A A . 10 ALA C 1 1 11 3039 1 1 10 ALA CA C 2.618 -5.464 -1.451 1.00 . A A . 10 ALA CA 1 1 11 3040 1 1 10 ALA CB C 1.691 -5.152 -2.615 1.00 . A A . 10 ALA CB 1 1 11 3041 1 1 10 ALA H H 0.884 -4.961 -0.273 1.00 . A A . 10 ALA H 1 1 11 3042 1 1 10 ALA HA H 2.935 -6.494 -1.442 1.00 . A A . 10 ALA HA 1 1 11 3043 1 1 10 ALA HB1 H 2.295 -4.945 -3.492 1.00 . A A . 10 ALA HB1 1 1 11 3044 1 1 10 ALA HB2 H 1.116 -4.259 -2.373 1.00 . A A . 10 ALA HB2 1 1 11 3045 1 1 10 ALA HB3 H 1.039 -5.972 -2.800 1.00 . A A . 10 ALA HB3 1 1 11 3046 1 1 10 ALA N N 1.857 -5.076 -0.227 1.00 . A A . 10 ALA N 1 1 11 3047 1 1 10 ALA O O 4.907 -4.861 -1.776 1.00 . A A . 10 ALA O 1 1 11 3048 1 1 11 PHE C C 5.257 -2.024 -0.809 1.00 . A A . 11 PHE C 1 1 11 3049 1 1 11 PHE CA C 4.295 -2.212 -1.929 1.00 . A A . 11 PHE CA 1 1 11 3050 1 1 11 PHE CB C 3.450 -0.994 -2.028 1.00 . A A . 11 PHE CB 1 1 11 3051 1 1 11 PHE CD1 C 4.939 0.073 -3.653 1.00 . A A . 11 PHE CD1 1 1 11 3052 1 1 11 PHE CD2 C 4.718 1.003 -1.434 1.00 . A A . 11 PHE CD2 1 1 11 3053 1 1 11 PHE CE1 C 5.847 1.078 -3.996 1.00 . A A . 11 PHE CE1 1 1 11 3054 1 1 11 PHE CE2 C 5.627 2.014 -1.756 1.00 . A A . 11 PHE CE2 1 1 11 3055 1 1 11 PHE CG C 4.391 0.062 -2.383 1.00 . A A . 11 PHE CG 1 1 11 3056 1 1 11 PHE CZ C 6.188 2.059 -3.046 1.00 . A A . 11 PHE CZ 1 1 11 3057 1 1 11 PHE H H 2.408 -3.081 -1.616 1.00 . A A . 11 PHE H 1 1 11 3058 1 1 11 PHE HA H 4.817 -2.355 -2.842 1.00 . A A . 11 PHE HA 1 1 11 3059 1 1 11 PHE HB2 H 2.698 -1.112 -2.784 1.00 . A A . 11 PHE HB2 1 1 11 3060 1 1 11 PHE HB3 H 2.994 -0.771 -1.077 1.00 . A A . 11 PHE HB3 1 1 11 3061 1 1 11 PHE HD1 H 4.669 -0.723 -4.357 1.00 . A A . 11 PHE HD1 1 1 11 3062 1 1 11 PHE HD2 H 4.292 0.914 -0.432 1.00 . A A . 11 PHE HD2 1 1 11 3063 1 1 11 PHE HE1 H 6.285 1.099 -4.982 1.00 . A A . 11 PHE HE1 1 1 11 3064 1 1 11 PHE HE2 H 5.887 2.767 -1.025 1.00 . A A . 11 PHE HE2 1 1 11 3065 1 1 11 PHE HZ H 6.887 2.839 -3.302 1.00 . A A . 11 PHE HZ 1 1 11 3066 1 1 11 PHE N N 3.365 -3.287 -1.692 1.00 . A A . 11 PHE N 1 1 11 3067 1 1 11 PHE O O 6.451 -2.033 -1.014 1.00 . A A . 11 PHE O 1 1 11 3068 1 1 12 GLU C C 6.699 -2.752 1.474 1.00 . A A . 12 GLU C 1 1 11 3069 1 1 12 GLU CA C 5.736 -1.561 1.444 1.00 . A A . 12 GLU CA 1 1 11 3070 1 1 12 GLU CB C 4.921 -1.438 2.725 1.00 . A A . 12 GLU CB 1 1 11 3071 1 1 12 GLU CD C 5.712 0.772 3.601 1.00 . A A . 12 GLU CD 1 1 11 3072 1 1 12 GLU CG C 4.549 0.029 2.940 1.00 . A A . 12 GLU CG 1 1 11 3073 1 1 12 GLU H H 3.811 -1.740 0.515 1.00 . A A . 12 GLU H 1 1 11 3074 1 1 12 GLU HA H 6.253 -0.638 1.215 1.00 . A A . 12 GLU HA 1 1 11 3075 1 1 12 GLU HB2 H 4.023 -2.032 2.643 1.00 . A A . 12 GLU HB2 1 1 11 3076 1 1 12 GLU HB3 H 5.506 -1.787 3.556 1.00 . A A . 12 GLU HB3 1 1 11 3077 1 1 12 GLU HG2 H 4.329 0.487 1.984 1.00 . A A . 12 GLU HG2 1 1 11 3078 1 1 12 GLU HG3 H 3.679 0.080 3.568 1.00 . A A . 12 GLU HG3 1 1 11 3079 1 1 12 GLU N N 4.780 -1.793 0.365 1.00 . A A . 12 GLU N 1 1 11 3080 1 1 12 GLU O O 7.884 -2.609 1.714 1.00 . A A . 12 GLU O 1 1 11 3081 1 1 12 GLU OE1 O 6.163 0.332 4.646 1.00 . A A . 12 GLU OE1 1 1 11 3082 1 1 12 GLU OE2 O 6.134 1.776 3.055 1.00 . A A . 12 GLU OE2 1 1 11 3083 1 1 13 SER C C 8.207 -4.848 0.059 1.00 . A A . 13 SER C 1 1 11 3084 1 1 13 SER CA C 7.082 -5.121 1.086 1.00 . A A . 13 SER CA 1 1 11 3085 1 1 13 SER CB C 6.175 -6.269 0.634 1.00 . A A . 13 SER CB 1 1 11 3086 1 1 13 SER H H 5.240 -4.007 0.937 1.00 . A A . 13 SER H 1 1 11 3087 1 1 13 SER HA H 7.505 -5.331 2.052 1.00 . A A . 13 SER HA 1 1 11 3088 1 1 13 SER HB2 H 5.565 -5.944 -0.194 1.00 . A A . 13 SER HB2 1 1 11 3089 1 1 13 SER HB3 H 6.779 -7.108 0.323 1.00 . A A . 13 SER HB3 1 1 11 3090 1 1 13 SER HG H 4.567 -6.046 1.710 1.00 . A A . 13 SER HG 1 1 11 3091 1 1 13 SER N N 6.197 -3.926 1.161 1.00 . A A . 13 SER N 1 1 11 3092 1 1 13 SER O O 9.261 -5.438 0.126 1.00 . A A . 13 SER O 1 1 11 3093 1 1 13 SER OG O 5.327 -6.646 1.717 1.00 . A A . 13 SER OG 1 1 11 3094 1 1 14 LEU C C 9.898 -2.449 -1.209 1.00 . A A . 14 LEU C 1 1 11 3095 1 1 14 LEU CA C 9.042 -3.521 -1.843 1.00 . A A . 14 LEU CA 1 1 11 3096 1 1 14 LEU CB C 8.318 -2.913 -3.046 1.00 . A A . 14 LEU CB 1 1 11 3097 1 1 14 LEU CD1 C 6.139 -3.267 -4.086 1.00 . A A . 14 LEU CD1 1 1 11 3098 1 1 14 LEU CD2 C 8.137 -4.380 -5.060 1.00 . A A . 14 LEU CD2 1 1 11 3099 1 1 14 LEU CG C 7.457 -3.942 -3.759 1.00 . A A . 14 LEU CG 1 1 11 3100 1 1 14 LEU H H 7.143 -3.428 -0.844 1.00 . A A . 14 LEU H 1 1 11 3101 1 1 14 LEU HA H 9.633 -4.356 -2.125 1.00 . A A . 14 LEU HA 1 1 11 3102 1 1 14 LEU HB2 H 7.685 -2.105 -2.701 1.00 . A A . 14 LEU HB2 1 1 11 3103 1 1 14 LEU HB3 H 9.043 -2.516 -3.735 1.00 . A A . 14 LEU HB3 1 1 11 3104 1 1 14 LEU HD11 H 5.996 -3.249 -5.149 1.00 . A A . 14 LEU HD11 1 1 11 3105 1 1 14 LEU HD12 H 6.162 -2.250 -3.707 1.00 . A A . 14 LEU HD12 1 1 11 3106 1 1 14 LEU HD13 H 5.332 -3.806 -3.616 1.00 . A A . 14 LEU HD13 1 1 11 3107 1 1 14 LEU HD21 H 9.061 -3.835 -5.186 1.00 . A A . 14 LEU HD21 1 1 11 3108 1 1 14 LEU HD22 H 7.483 -4.175 -5.893 1.00 . A A . 14 LEU HD22 1 1 11 3109 1 1 14 LEU HD23 H 8.346 -5.437 -5.021 1.00 . A A . 14 LEU HD23 1 1 11 3110 1 1 14 LEU HG H 7.284 -4.797 -3.118 1.00 . A A . 14 LEU HG 1 1 11 3111 1 1 14 LEU N N 7.991 -3.912 -0.848 1.00 . A A . 14 LEU N 1 1 11 3112 1 1 14 LEU O O 11.108 -2.478 -1.270 1.00 . A A . 14 LEU O 1 1 11 3113 1 1 15 LYS C C 11.042 -1.165 0.994 1.00 . A A . 15 LYS C 1 1 11 3114 1 1 15 LYS CA C 9.954 -0.468 0.195 1.00 . A A . 15 LYS CA 1 1 11 3115 1 1 15 LYS CB C 8.819 0.080 1.060 1.00 . A A . 15 LYS CB 1 1 11 3116 1 1 15 LYS CD C 9.623 1.702 2.783 1.00 . A A . 15 LYS CD 1 1 11 3117 1 1 15 LYS CE C 10.789 1.758 3.779 1.00 . A A . 15 LYS CE 1 1 11 3118 1 1 15 LYS CG C 9.245 0.244 2.509 1.00 . A A . 15 LYS CG 1 1 11 3119 1 1 15 LYS H H 8.276 -1.583 -0.476 1.00 . A A . 15 LYS H 1 1 11 3120 1 1 15 LYS HA H 10.352 0.285 -0.468 1.00 . A A . 15 LYS HA 1 1 11 3121 1 1 15 LYS HB2 H 8.498 1.010 0.666 1.00 . A A . 15 LYS HB2 1 1 11 3122 1 1 15 LYS HB3 H 7.990 -0.611 1.020 1.00 . A A . 15 LYS HB3 1 1 11 3123 1 1 15 LYS HD2 H 9.912 2.179 1.859 1.00 . A A . 15 LYS HD2 1 1 11 3124 1 1 15 LYS HD3 H 8.771 2.217 3.204 1.00 . A A . 15 LYS HD3 1 1 11 3125 1 1 15 LYS HE2 H 10.787 2.705 4.305 1.00 . A A . 15 LYS HE2 1 1 11 3126 1 1 15 LYS HE3 H 10.724 0.942 4.483 1.00 . A A . 15 LYS HE3 1 1 11 3127 1 1 15 LYS HG2 H 8.415 -0.043 3.139 1.00 . A A . 15 LYS HG2 1 1 11 3128 1 1 15 LYS HG3 H 10.083 -0.396 2.708 1.00 . A A . 15 LYS HG3 1 1 11 3129 1 1 15 LYS HZ1 H 12.022 0.719 2.448 1.00 . A A . 15 LYS HZ1 1 1 11 3130 1 1 15 LYS HZ2 H 12.859 1.660 3.574 1.00 . A A . 15 LYS HZ2 1 1 11 3131 1 1 15 LYS HZ3 H 12.072 2.404 2.268 1.00 . A A . 15 LYS HZ3 1 1 11 3132 1 1 15 LYS N N 9.250 -1.535 -0.541 1.00 . A A . 15 LYS N 1 1 11 3133 1 1 15 LYS NZ N 12.025 1.625 2.954 1.00 . A A . 15 LYS NZ 1 1 11 3134 1 1 15 LYS O O 12.180 -0.745 1.053 1.00 . A A . 15 LYS O 1 1 11 3135 1 1 16 SER C C 12.908 -3.287 1.553 1.00 . A A . 16 SER C 1 1 11 3136 1 1 16 SER CA C 11.598 -3.129 2.333 1.00 . A A . 16 SER CA 1 1 11 3137 1 1 16 SER CB C 10.868 -4.469 2.427 1.00 . A A . 16 SER CB 1 1 11 3138 1 1 16 SER H H 9.721 -2.547 1.443 1.00 . A A . 16 SER H 1 1 11 3139 1 1 16 SER HA H 11.778 -2.725 3.305 1.00 . A A . 16 SER HA 1 1 11 3140 1 1 16 SER HB2 H 10.335 -4.647 1.508 1.00 . A A . 16 SER HB2 1 1 11 3141 1 1 16 SER HB3 H 11.586 -5.263 2.574 1.00 . A A . 16 SER HB3 1 1 11 3142 1 1 16 SER HG H 9.243 -3.800 3.282 1.00 . A A . 16 SER HG 1 1 11 3143 1 1 16 SER N N 10.659 -2.269 1.560 1.00 . A A . 16 SER N 1 1 11 3144 1 1 16 SER O O 13.965 -2.890 2.010 1.00 . A A . 16 SER O 1 1 11 3145 1 1 16 SER OG O 9.939 -4.432 3.507 1.00 . A A . 16 SER OG 1 1 11 3146 1 1 17 PHE C C 14.142 -2.921 -1.505 1.00 . A A . 17 PHE C 1 1 11 3147 1 1 17 PHE CA C 14.046 -4.029 -0.454 1.00 . A A . 17 PHE CA 1 1 11 3148 1 1 17 PHE CB C 13.905 -5.413 -1.111 1.00 . A A . 17 PHE CB 1 1 11 3149 1 1 17 PHE CD1 C 12.266 -4.915 -2.998 1.00 . A A . 17 PHE CD1 1 1 11 3150 1 1 17 PHE CD2 C 11.626 -6.515 -1.296 1.00 . A A . 17 PHE CD2 1 1 11 3151 1 1 17 PHE CE1 C 11.039 -5.125 -3.651 1.00 . A A . 17 PHE CE1 1 1 11 3152 1 1 17 PHE CE2 C 10.405 -6.729 -1.953 1.00 . A A . 17 PHE CE2 1 1 11 3153 1 1 17 PHE CG C 12.561 -5.608 -1.816 1.00 . A A . 17 PHE CG 1 1 11 3154 1 1 17 PHE CZ C 10.112 -6.036 -3.128 1.00 . A A . 17 PHE CZ 1 1 11 3155 1 1 17 PHE H H 11.970 -4.148 0.039 1.00 . A A . 17 PHE H 1 1 11 3156 1 1 17 PHE HA H 14.924 -4.013 0.175 1.00 . A A . 17 PHE HA 1 1 11 3157 1 1 17 PHE HB2 H 14.689 -5.526 -1.830 1.00 . A A . 17 PHE HB2 1 1 11 3158 1 1 17 PHE HB3 H 14.013 -6.167 -0.348 1.00 . A A . 17 PHE HB3 1 1 11 3159 1 1 17 PHE HD1 H 12.978 -4.215 -3.406 1.00 . A A . 17 PHE HD1 1 1 11 3160 1 1 17 PHE HD2 H 11.847 -7.050 -0.388 1.00 . A A . 17 PHE HD2 1 1 11 3161 1 1 17 PHE HE1 H 10.798 -4.577 -4.551 1.00 . A A . 17 PHE HE1 1 1 11 3162 1 1 17 PHE HE2 H 9.677 -7.417 -1.540 1.00 . A A . 17 PHE HE2 1 1 11 3163 1 1 17 PHE HZ H 9.168 -6.201 -3.634 1.00 . A A . 17 PHE HZ 1 1 11 3164 1 1 17 PHE N N 12.831 -3.851 0.377 1.00 . A A . 17 PHE N 1 1 11 3165 1 1 17 PHE O O 14.579 -3.147 -2.616 1.00 . A A . 17 PHE O 1 1 11 3166 1 1 18 NH2 HN1 H 13.422 -1.522 -0.294 1.00 . A A . 18 NH2 HN1 1 1 11 3167 1 1 18 NH2 HN2 H 13.851 -0.995 -1.848 1.00 . A A . 18 NH2 HN2 1 1 11 3168 1 1 18 NH2 N N 13.771 -1.714 -1.191 1.00 . A A . 18 NH2 N 1 1 12 3169 1 1 1 MET C C -10.557 3.149 2.754 1.00 . A A . 1 MET C 1 1 12 3170 1 1 1 MET CA C -11.579 3.937 3.599 1.00 . A A . 1 MET CA 1 1 12 3171 1 1 1 MET CB C -11.044 5.355 3.872 1.00 . A A . 1 MET CB 1 1 12 3172 1 1 1 MET CE C -13.277 7.512 2.836 1.00 . A A . 1 MET CE 1 1 12 3173 1 1 1 MET CG C -12.000 6.128 4.791 1.00 . A A . 1 MET CG 1 1 12 3174 1 1 1 MET H1 H -12.001 2.295 4.813 1.00 . A A . 1 MET H1 1 1 12 3175 1 1 1 MET H2 H -12.553 3.769 5.432 1.00 . A A . 1 MET H2 1 1 12 3176 1 1 1 MET H3 H -10.898 3.384 5.497 1.00 . A A . 1 MET H3 1 1 12 3177 1 1 1 MET HA H -12.523 4.001 3.082 1.00 . A A . 1 MET HA 1 1 12 3178 1 1 1 MET HB2 H -10.074 5.287 4.342 1.00 . A A . 1 MET HB2 1 1 12 3179 1 1 1 MET HB3 H -10.949 5.884 2.936 1.00 . A A . 1 MET HB3 1 1 12 3180 1 1 1 MET HE1 H -14.187 8.038 2.597 1.00 . A A . 1 MET HE1 1 1 12 3181 1 1 1 MET HE2 H -12.865 7.073 1.938 1.00 . A A . 1 MET HE2 1 1 12 3182 1 1 1 MET HE3 H -12.564 8.203 3.257 1.00 . A A . 1 MET HE3 1 1 12 3183 1 1 1 MET HG2 H -12.066 5.632 5.748 1.00 . A A . 1 MET HG2 1 1 12 3184 1 1 1 MET HG3 H -11.626 7.131 4.937 1.00 . A A . 1 MET HG3 1 1 12 3185 1 1 1 MET N N -11.770 3.300 4.938 1.00 . A A . 1 MET N 1 1 12 3186 1 1 1 MET O O -10.371 3.431 1.583 1.00 . A A . 1 MET O 1 1 12 3187 1 1 1 MET SD S -13.639 6.204 4.032 1.00 . A A . 1 MET SD 1 1 12 3188 1 1 2 ALA C C -9.549 0.307 1.704 1.00 . A A . 2 ALA C 1 1 12 3189 1 1 2 ALA CA C -8.873 1.396 2.546 1.00 . A A . 2 ALA CA 1 1 12 3190 1 1 2 ALA CB C -7.946 0.765 3.596 1.00 . A A . 2 ALA CB 1 1 12 3191 1 1 2 ALA H H -10.034 1.962 4.272 1.00 . A A . 2 ALA H 1 1 12 3192 1 1 2 ALA HA H -8.300 2.056 1.913 1.00 . A A . 2 ALA HA 1 1 12 3193 1 1 2 ALA HB1 H -6.930 0.768 3.224 1.00 . A A . 2 ALA HB1 1 1 12 3194 1 1 2 ALA HB2 H -8.251 -0.250 3.788 1.00 . A A . 2 ALA HB2 1 1 12 3195 1 1 2 ALA HB3 H -7.995 1.335 4.511 1.00 . A A . 2 ALA HB3 1 1 12 3196 1 1 2 ALA N N -9.883 2.175 3.329 1.00 . A A . 2 ALA N 1 1 12 3197 1 1 2 ALA O O -10.060 -0.666 2.228 1.00 . A A . 2 ALA O 1 1 12 3198 1 1 3 THR C C -9.082 -1.519 -0.999 1.00 . A A . 3 THR C 1 1 12 3199 1 1 3 THR CA C -10.171 -0.571 -0.479 1.00 . A A . 3 THR CA 1 1 12 3200 1 1 3 THR CB C -10.818 0.207 -1.633 1.00 . A A . 3 THR CB 1 1 12 3201 1 1 3 THR CG2 C -11.971 -0.615 -2.216 1.00 . A A . 3 THR CG2 1 1 12 3202 1 1 3 THR H H -9.124 1.250 0.009 1.00 . A A . 3 THR H 1 1 12 3203 1 1 3 THR HA H -10.923 -1.121 0.060 1.00 . A A . 3 THR HA 1 1 12 3204 1 1 3 THR HB H -10.085 0.387 -2.406 1.00 . A A . 3 THR HB 1 1 12 3205 1 1 3 THR HG1 H -10.707 2.143 -1.403 1.00 . A A . 3 THR HG1 1 1 12 3206 1 1 3 THR HG21 H -11.797 -1.665 -2.025 1.00 . A A . 3 THR HG21 1 1 12 3207 1 1 3 THR HG22 H -12.034 -0.448 -3.284 1.00 . A A . 3 THR HG22 1 1 12 3208 1 1 3 THR HG23 H -12.896 -0.314 -1.750 1.00 . A A . 3 THR HG23 1 1 12 3209 1 1 3 THR N N -9.546 0.460 0.405 1.00 . A A . 3 THR N 1 1 12 3210 1 1 3 THR O O -9.224 -2.723 -0.954 1.00 . A A . 3 THR O 1 1 12 3211 1 1 3 THR OG1 O -11.325 1.452 -1.153 1.00 . A A . 3 THR OG1 1 1 12 3212 1 1 4 LEU C C -5.671 -1.719 -1.057 1.00 . A A . 4 LEU C 1 1 12 3213 1 1 4 LEU CA C -6.883 -1.832 -1.988 1.00 . A A . 4 LEU CA 1 1 12 3214 1 1 4 LEU CB C -6.553 -1.274 -3.373 1.00 . A A . 4 LEU CB 1 1 12 3215 1 1 4 LEU CD1 C -8.776 -1.749 -4.426 1.00 . A A . 4 LEU CD1 1 1 12 3216 1 1 4 LEU CD2 C -6.729 -1.742 -5.828 1.00 . A A . 4 LEU CD2 1 1 12 3217 1 1 4 LEU CG C -7.290 -2.086 -4.449 1.00 . A A . 4 LEU CG 1 1 12 3218 1 1 4 LEU H H -7.900 0.000 -1.493 1.00 . A A . 4 LEU H 1 1 12 3219 1 1 4 LEU HA H -7.205 -2.860 -2.069 1.00 . A A . 4 LEU HA 1 1 12 3220 1 1 4 LEU HB2 H -6.855 -0.237 -3.424 1.00 . A A . 4 LEU HB2 1 1 12 3221 1 1 4 LEU HB3 H -5.488 -1.345 -3.538 1.00 . A A . 4 LEU HB3 1 1 12 3222 1 1 4 LEU HD11 H -9.139 -1.788 -3.411 1.00 . A A . 4 LEU HD11 1 1 12 3223 1 1 4 LEU HD12 H -9.313 -2.463 -5.027 1.00 . A A . 4 LEU HD12 1 1 12 3224 1 1 4 LEU HD13 H -8.923 -0.757 -4.823 1.00 . A A . 4 LEU HD13 1 1 12 3225 1 1 4 LEU HD21 H -6.432 -0.703 -5.852 1.00 . A A . 4 LEU HD21 1 1 12 3226 1 1 4 LEU HD22 H -7.491 -1.912 -6.575 1.00 . A A . 4 LEU HD22 1 1 12 3227 1 1 4 LEU HD23 H -5.874 -2.367 -6.036 1.00 . A A . 4 LEU HD23 1 1 12 3228 1 1 4 LEU HG H -7.161 -3.143 -4.259 1.00 . A A . 4 LEU HG 1 1 12 3229 1 1 4 LEU N N -7.994 -0.975 -1.478 1.00 . A A . 4 LEU N 1 1 12 3230 1 1 4 LEU O O -4.545 -1.581 -1.499 1.00 . A A . 4 LEU O 1 1 12 3231 1 1 5 GLU C C -3.772 -2.832 1.033 1.00 . A A . 5 GLU C 1 1 12 3232 1 1 5 GLU CA C -4.767 -1.675 1.213 1.00 . A A . 5 GLU CA 1 1 12 3233 1 1 5 GLU CB C -5.405 -1.729 2.618 1.00 . A A . 5 GLU CB 1 1 12 3234 1 1 5 GLU CD C -6.808 -3.182 4.109 1.00 . A A . 5 GLU CD 1 1 12 3235 1 1 5 GLU CG C -6.555 -2.752 2.665 1.00 . A A . 5 GLU CG 1 1 12 3236 1 1 5 GLU H H -6.815 -1.886 0.551 1.00 . A A . 5 GLU H 1 1 12 3237 1 1 5 GLU HA H -4.257 -0.731 1.086 1.00 . A A . 5 GLU HA 1 1 12 3238 1 1 5 GLU HB2 H -4.649 -2.014 3.337 1.00 . A A . 5 GLU HB2 1 1 12 3239 1 1 5 GLU HB3 H -5.787 -0.752 2.875 1.00 . A A . 5 GLU HB3 1 1 12 3240 1 1 5 GLU HG2 H -7.453 -2.302 2.266 1.00 . A A . 5 GLU HG2 1 1 12 3241 1 1 5 GLU HG3 H -6.294 -3.617 2.076 1.00 . A A . 5 GLU HG3 1 1 12 3242 1 1 5 GLU N N -5.897 -1.778 0.231 1.00 . A A . 5 GLU N 1 1 12 3243 1 1 5 GLU O O -2.637 -2.749 1.463 1.00 . A A . 5 GLU O 1 1 12 3244 1 1 5 GLU OE1 O -6.973 -2.318 4.949 1.00 . A A . 5 GLU OE1 1 1 12 3245 1 1 5 GLU OE2 O -6.837 -4.372 4.349 1.00 . A A . 5 GLU OE2 1 1 12 3246 1 1 6 LYS C C -2.078 -4.619 -0.686 1.00 . A A . 6 LYS C 1 1 12 3247 1 1 6 LYS CA C -3.232 -5.047 0.210 1.00 . A A . 6 LYS CA 1 1 12 3248 1 1 6 LYS CB C -4.042 -6.168 -0.452 1.00 . A A . 6 LYS CB 1 1 12 3249 1 1 6 LYS CD C -5.585 -7.950 0.421 1.00 . A A . 6 LYS CD 1 1 12 3250 1 1 6 LYS CE C -5.592 -9.191 -0.485 1.00 . A A . 6 LYS CE 1 1 12 3251 1 1 6 LYS CG C -4.167 -7.367 0.499 1.00 . A A . 6 LYS CG 1 1 12 3252 1 1 6 LYS H H -5.091 -3.962 0.057 1.00 . A A . 6 LYS H 1 1 12 3253 1 1 6 LYS HA H -2.850 -5.363 1.158 1.00 . A A . 6 LYS HA 1 1 12 3254 1 1 6 LYS HB2 H -5.024 -5.800 -0.707 1.00 . A A . 6 LYS HB2 1 1 12 3255 1 1 6 LYS HB3 H -3.536 -6.481 -1.354 1.00 . A A . 6 LYS HB3 1 1 12 3256 1 1 6 LYS HD2 H -5.908 -8.232 1.414 1.00 . A A . 6 LYS HD2 1 1 12 3257 1 1 6 LYS HD3 H -6.262 -7.209 0.022 1.00 . A A . 6 LYS HD3 1 1 12 3258 1 1 6 LYS HE2 H -4.748 -9.828 -0.256 1.00 . A A . 6 LYS HE2 1 1 12 3259 1 1 6 LYS HE3 H -6.517 -9.734 -0.363 1.00 . A A . 6 LYS HE3 1 1 12 3260 1 1 6 LYS HG2 H -3.451 -8.126 0.217 1.00 . A A . 6 LYS HG2 1 1 12 3261 1 1 6 LYS HG3 H -3.971 -7.047 1.511 1.00 . A A . 6 LYS HG3 1 1 12 3262 1 1 6 LYS HZ1 H -6.326 -8.095 -2.099 1.00 . A A . 6 LYS HZ1 1 1 12 3263 1 1 6 LYS HZ2 H -5.433 -9.465 -2.542 1.00 . A A . 6 LYS HZ2 1 1 12 3264 1 1 6 LYS HZ3 H -4.637 -8.083 -1.968 1.00 . A A . 6 LYS HZ3 1 1 12 3265 1 1 6 LYS N N -4.176 -3.907 0.402 1.00 . A A . 6 LYS N 1 1 12 3266 1 1 6 LYS NZ N -5.488 -8.667 -1.876 1.00 . A A . 6 LYS NZ 1 1 12 3267 1 1 6 LYS O O -0.926 -4.860 -0.370 1.00 . A A . 6 LYS O 1 1 12 3268 1 1 7 LEU C C -0.331 -2.553 -1.883 1.00 . A A . 7 LEU C 1 1 12 3269 1 1 7 LEU CA C -1.257 -3.501 -2.668 1.00 . A A . 7 LEU CA 1 1 12 3270 1 1 7 LEU CB C -1.937 -2.796 -3.868 1.00 . A A . 7 LEU CB 1 1 12 3271 1 1 7 LEU CD1 C -0.566 -0.706 -4.129 1.00 . A A . 7 LEU CD1 1 1 12 3272 1 1 7 LEU CD2 C -3.006 -0.662 -4.606 1.00 . A A . 7 LEU CD2 1 1 12 3273 1 1 7 LEU CG C -1.928 -1.267 -3.711 1.00 . A A . 7 LEU CG 1 1 12 3274 1 1 7 LEU H H -3.292 -3.759 -2.008 1.00 . A A . 7 LEU H 1 1 12 3275 1 1 7 LEU HA H -0.698 -4.355 -3.021 1.00 . A A . 7 LEU HA 1 1 12 3276 1 1 7 LEU HB2 H -1.409 -3.056 -4.773 1.00 . A A . 7 LEU HB2 1 1 12 3277 1 1 7 LEU HB3 H -2.958 -3.139 -3.948 1.00 . A A . 7 LEU HB3 1 1 12 3278 1 1 7 LEU HD11 H 0.113 -1.522 -4.315 1.00 . A A . 7 LEU HD11 1 1 12 3279 1 1 7 LEU HD12 H -0.174 -0.083 -3.337 1.00 . A A . 7 LEU HD12 1 1 12 3280 1 1 7 LEU HD13 H -0.675 -0.121 -5.028 1.00 . A A . 7 LEU HD13 1 1 12 3281 1 1 7 LEU HD21 H -2.674 0.302 -4.966 1.00 . A A . 7 LEU HD21 1 1 12 3282 1 1 7 LEU HD22 H -3.918 -0.543 -4.040 1.00 . A A . 7 LEU HD22 1 1 12 3283 1 1 7 LEU HD23 H -3.185 -1.314 -5.445 1.00 . A A . 7 LEU HD23 1 1 12 3284 1 1 7 LEU HG H -2.126 -1.005 -2.682 1.00 . A A . 7 LEU HG 1 1 12 3285 1 1 7 LEU N N -2.362 -3.963 -1.784 1.00 . A A . 7 LEU N 1 1 12 3286 1 1 7 LEU O O 0.790 -2.300 -2.285 1.00 . A A . 7 LEU O 1 1 12 3287 1 1 8 MET C C 1.120 -1.983 0.803 1.00 . A A . 8 MET C 1 1 12 3288 1 1 8 MET CA C 0.095 -1.144 0.055 1.00 . A A . 8 MET CA 1 1 12 3289 1 1 8 MET CB C -0.831 -0.396 1.029 1.00 . A A . 8 MET CB 1 1 12 3290 1 1 8 MET CE C 1.499 1.804 0.250 1.00 . A A . 8 MET CE 1 1 12 3291 1 1 8 MET CG C -1.094 1.018 0.505 1.00 . A A . 8 MET CG 1 1 12 3292 1 1 8 MET H H -1.673 -2.294 -0.418 1.00 . A A . 8 MET H 1 1 12 3293 1 1 8 MET HA H 0.599 -0.444 -0.595 1.00 . A A . 8 MET HA 1 1 12 3294 1 1 8 MET HB2 H -1.768 -0.922 1.123 1.00 . A A . 8 MET HB2 1 1 12 3295 1 1 8 MET HB3 H -0.358 -0.331 1.998 1.00 . A A . 8 MET HB3 1 1 12 3296 1 1 8 MET HE1 H 2.343 2.390 0.591 1.00 . A A . 8 MET HE1 1 1 12 3297 1 1 8 MET HE2 H 1.274 2.052 -0.778 1.00 . A A . 8 MET HE2 1 1 12 3298 1 1 8 MET HE3 H 1.743 0.756 0.319 1.00 . A A . 8 MET HE3 1 1 12 3299 1 1 8 MET HG2 H -0.956 1.039 -0.567 1.00 . A A . 8 MET HG2 1 1 12 3300 1 1 8 MET HG3 H -2.107 1.307 0.744 1.00 . A A . 8 MET HG3 1 1 12 3301 1 1 8 MET N N -0.777 -2.051 -0.749 1.00 . A A . 8 MET N 1 1 12 3302 1 1 8 MET O O 2.308 -1.784 0.643 1.00 . A A . 8 MET O 1 1 12 3303 1 1 8 MET SD S 0.063 2.167 1.291 1.00 . A A . 8 MET SD 1 1 12 3304 1 1 9 LYS C C 2.548 -4.468 1.215 1.00 . A A . 9 LYS C 1 1 12 3305 1 1 9 LYS CA C 1.685 -3.815 2.283 1.00 . A A . 9 LYS CA 1 1 12 3306 1 1 9 LYS CB C 0.892 -4.863 3.076 1.00 . A A . 9 LYS CB 1 1 12 3307 1 1 9 LYS CD C 0.974 -6.387 5.070 1.00 . A A . 9 LYS CD 1 1 12 3308 1 1 9 LYS CE C 1.208 -6.097 6.559 1.00 . A A . 9 LYS CE 1 1 12 3309 1 1 9 LYS CG C 1.772 -5.393 4.217 1.00 . A A . 9 LYS CG 1 1 12 3310 1 1 9 LYS H H -0.272 -3.125 1.672 1.00 . A A . 9 LYS H 1 1 12 3311 1 1 9 LYS HA H 2.295 -3.227 2.938 1.00 . A A . 9 LYS HA 1 1 12 3312 1 1 9 LYS HB2 H 0.001 -4.410 3.487 1.00 . A A . 9 LYS HB2 1 1 12 3313 1 1 9 LYS HB3 H 0.615 -5.681 2.426 1.00 . A A . 9 LYS HB3 1 1 12 3314 1 1 9 LYS HD2 H -0.080 -6.285 4.848 1.00 . A A . 9 LYS HD2 1 1 12 3315 1 1 9 LYS HD3 H 1.291 -7.397 4.846 1.00 . A A . 9 LYS HD3 1 1 12 3316 1 1 9 LYS HE2 H 1.024 -5.053 6.769 1.00 . A A . 9 LYS HE2 1 1 12 3317 1 1 9 LYS HE3 H 0.573 -6.721 7.167 1.00 . A A . 9 LYS HE3 1 1 12 3318 1 1 9 LYS HG2 H 2.641 -5.887 3.803 1.00 . A A . 9 LYS HG2 1 1 12 3319 1 1 9 LYS HG3 H 2.087 -4.567 4.834 1.00 . A A . 9 LYS HG3 1 1 12 3320 1 1 9 LYS HZ1 H 2.795 -7.444 6.656 1.00 . A A . 9 LYS HZ1 1 1 12 3321 1 1 9 LYS HZ2 H 2.877 -6.196 7.797 1.00 . A A . 9 LYS HZ2 1 1 12 3322 1 1 9 LYS HZ3 H 3.244 -5.877 6.179 1.00 . A A . 9 LYS HZ3 1 1 12 3323 1 1 9 LYS N N 0.689 -2.952 1.583 1.00 . A A . 9 LYS N 1 1 12 3324 1 1 9 LYS NZ N 2.638 -6.428 6.814 1.00 . A A . 9 LYS NZ 1 1 12 3325 1 1 9 LYS O O 3.754 -4.543 1.328 1.00 . A A . 9 LYS O 1 1 12 3326 1 1 10 ALA C C 3.795 -4.558 -1.368 1.00 . A A . 10 ALA C 1 1 12 3327 1 1 10 ALA CA C 2.669 -5.469 -1.003 1.00 . A A . 10 ALA CA 1 1 12 3328 1 1 10 ALA CB C 1.713 -5.378 -2.180 1.00 . A A . 10 ALA CB 1 1 12 3329 1 1 10 ALA H H 0.953 -4.752 0.083 1.00 . A A . 10 ALA H 1 1 12 3330 1 1 10 ALA HA H 2.992 -6.484 -0.823 1.00 . A A . 10 ALA HA 1 1 12 3331 1 1 10 ALA HB1 H 0.840 -4.814 -1.887 1.00 . A A . 10 ALA HB1 1 1 12 3332 1 1 10 ALA HB2 H 1.438 -6.352 -2.511 1.00 . A A . 10 ALA HB2 1 1 12 3333 1 1 10 ALA HB3 H 2.213 -4.842 -2.987 1.00 . A A . 10 ALA HB3 1 1 12 3334 1 1 10 ALA N N 1.924 -4.878 0.146 1.00 . A A . 10 ALA N 1 1 12 3335 1 1 10 ALA O O 4.961 -4.905 -1.369 1.00 . A A . 10 ALA O 1 1 12 3336 1 1 11 PHE C C 5.306 -2.035 -1.084 1.00 . A A . 11 PHE C 1 1 12 3337 1 1 11 PHE CA C 4.330 -2.371 -2.164 1.00 . A A . 11 PHE CA 1 1 12 3338 1 1 11 PHE CB C 3.486 -1.161 -2.415 1.00 . A A . 11 PHE CB 1 1 12 3339 1 1 11 PHE CD1 C 4.867 -0.060 -4.121 1.00 . A A . 11 PHE CD1 1 1 12 3340 1 1 11 PHE CD2 C 4.883 0.795 -1.859 1.00 . A A . 11 PHE CD2 1 1 12 3341 1 1 11 PHE CE1 C 5.777 0.929 -4.510 1.00 . A A . 11 PHE CE1 1 1 12 3342 1 1 11 PHE CE2 C 5.786 1.797 -2.231 1.00 . A A . 11 PHE CE2 1 1 12 3343 1 1 11 PHE CG C 4.437 -0.110 -2.811 1.00 . A A . 11 PHE CG 1 1 12 3344 1 1 11 PHE CZ C 6.229 1.868 -3.563 1.00 . A A . 11 PHE CZ 1 1 12 3345 1 1 11 PHE H H 2.432 -3.181 -1.736 1.00 . A A . 11 PHE H 1 1 12 3346 1 1 11 PHE HA H 4.832 -2.659 -3.062 1.00 . A A . 11 PHE HA 1 1 12 3347 1 1 11 PHE HB2 H 2.772 -1.350 -3.195 1.00 . A A . 11 PHE HB2 1 1 12 3348 1 1 11 PHE HB3 H 2.977 -0.870 -1.511 1.00 . A A . 11 PHE HB3 1 1 12 3349 1 1 11 PHE HD1 H 4.524 -0.824 -4.820 1.00 . A A . 11 PHE HD1 1 1 12 3350 1 1 11 PHE HD2 H 4.541 0.696 -0.822 1.00 . A A . 11 PHE HD2 1 1 12 3351 1 1 11 PHE HE1 H 6.118 0.982 -5.535 1.00 . A A . 11 PHE HE1 1 1 12 3352 1 1 11 PHE HE2 H 6.145 2.507 -1.499 1.00 . A A . 11 PHE HE2 1 1 12 3353 1 1 11 PHE HZ H 6.926 2.637 -3.857 1.00 . A A . 11 PHE HZ 1 1 12 3354 1 1 11 PHE N N 3.394 -3.387 -1.730 1.00 . A A . 11 PHE N 1 1 12 3355 1 1 11 PHE O O 6.488 -2.124 -1.271 1.00 . A A . 11 PHE O 1 1 12 3356 1 1 12 GLU C C 6.768 -2.370 1.302 1.00 . A A . 12 GLU C 1 1 12 3357 1 1 12 GLU CA C 5.776 -1.210 1.088 1.00 . A A . 12 GLU CA 1 1 12 3358 1 1 12 GLU CB C 4.925 -0.962 2.329 1.00 . A A . 12 GLU CB 1 1 12 3359 1 1 12 GLU CD C 4.985 1.546 2.214 1.00 . A A . 12 GLU CD 1 1 12 3360 1 1 12 GLU CG C 4.087 0.310 2.145 1.00 . A A . 12 GLU CG 1 1 12 3361 1 1 12 GLU H H 3.865 -1.492 0.149 1.00 . A A . 12 GLU H 1 1 12 3362 1 1 12 GLU HA H 6.278 -0.301 0.765 1.00 . A A . 12 GLU HA 1 1 12 3363 1 1 12 GLU HB2 H 4.271 -1.807 2.487 1.00 . A A . 12 GLU HB2 1 1 12 3364 1 1 12 GLU HB3 H 5.567 -0.848 3.179 1.00 . A A . 12 GLU HB3 1 1 12 3365 1 1 12 GLU HG2 H 3.598 0.278 1.183 1.00 . A A . 12 GLU HG2 1 1 12 3366 1 1 12 GLU HG3 H 3.340 0.365 2.924 1.00 . A A . 12 GLU HG3 1 1 12 3367 1 1 12 GLU N N 4.833 -1.597 0.028 1.00 . A A . 12 GLU N 1 1 12 3368 1 1 12 GLU O O 7.970 -2.179 1.396 1.00 . A A . 12 GLU O 1 1 12 3369 1 1 12 GLU OE1 O 5.580 1.768 3.255 1.00 . A A . 12 GLU OE1 1 1 12 3370 1 1 12 GLU OE2 O 5.065 2.252 1.230 1.00 . A A . 12 GLU OE2 1 1 12 3371 1 1 13 SER C C 8.120 -4.829 0.274 1.00 . A A . 13 SER C 1 1 12 3372 1 1 13 SER CA C 7.129 -4.791 1.448 1.00 . A A . 13 SER CA 1 1 12 3373 1 1 13 SER CB C 6.170 -5.983 1.374 1.00 . A A . 13 SER CB 1 1 12 3374 1 1 13 SER H H 5.284 -3.694 1.204 1.00 . A A . 13 SER H 1 1 12 3375 1 1 13 SER HA H 7.653 -4.783 2.391 1.00 . A A . 13 SER HA 1 1 12 3376 1 1 13 SER HB2 H 5.494 -5.849 0.543 1.00 . A A . 13 SER HB2 1 1 12 3377 1 1 13 SER HB3 H 6.732 -6.895 1.228 1.00 . A A . 13 SER HB3 1 1 12 3378 1 1 13 SER HG H 4.850 -5.277 2.622 1.00 . A A . 13 SER HG 1 1 12 3379 1 1 13 SER N N 6.254 -3.581 1.318 1.00 . A A . 13 SER N 1 1 12 3380 1 1 13 SER O O 9.169 -5.439 0.348 1.00 . A A . 13 SER O 1 1 12 3381 1 1 13 SER OG O 5.414 -6.061 2.580 1.00 . A A . 13 SER OG 1 1 12 3382 1 1 14 LEU C C 9.497 -2.796 -1.861 1.00 . A A . 14 LEU C 1 1 12 3383 1 1 14 LEU CA C 8.671 -4.072 -1.989 1.00 . A A . 14 LEU CA 1 1 12 3384 1 1 14 LEU CB C 7.694 -4.102 -3.194 1.00 . A A . 14 LEU CB 1 1 12 3385 1 1 14 LEU CD1 C 7.810 -1.760 -4.000 1.00 . A A . 14 LEU CD1 1 1 12 3386 1 1 14 LEU CD2 C 9.599 -3.334 -4.685 1.00 . A A . 14 LEU CD2 1 1 12 3387 1 1 14 LEU CG C 8.112 -3.198 -4.363 1.00 . A A . 14 LEU CG 1 1 12 3388 1 1 14 LEU H H 6.937 -3.659 -0.804 1.00 . A A . 14 LEU H 1 1 12 3389 1 1 14 LEU HA H 9.322 -4.913 -2.006 1.00 . A A . 14 LEU HA 1 1 12 3390 1 1 14 LEU HB2 H 7.623 -5.110 -3.554 1.00 . A A . 14 LEU HB2 1 1 12 3391 1 1 14 LEU HB3 H 6.717 -3.786 -2.848 1.00 . A A . 14 LEU HB3 1 1 12 3392 1 1 14 LEU HD11 H 7.282 -1.293 -4.811 1.00 . A A . 14 LEU HD11 1 1 12 3393 1 1 14 LEU HD12 H 8.736 -1.242 -3.815 1.00 . A A . 14 LEU HD12 1 1 12 3394 1 1 14 LEU HD13 H 7.201 -1.739 -3.112 1.00 . A A . 14 LEU HD13 1 1 12 3395 1 1 14 LEU HD21 H 10.008 -2.364 -4.914 1.00 . A A . 14 LEU HD21 1 1 12 3396 1 1 14 LEU HD22 H 9.728 -3.986 -5.534 1.00 . A A . 14 LEU HD22 1 1 12 3397 1 1 14 LEU HD23 H 10.113 -3.743 -3.837 1.00 . A A . 14 LEU HD23 1 1 12 3398 1 1 14 LEU HG H 7.534 -3.467 -5.238 1.00 . A A . 14 LEU HG 1 1 12 3399 1 1 14 LEU N N 7.784 -4.152 -0.796 1.00 . A A . 14 LEU N 1 1 12 3400 1 1 14 LEU O O 10.696 -2.803 -2.063 1.00 . A A . 14 LEU O 1 1 12 3401 1 1 15 LYS C C 10.820 -0.866 -0.326 1.00 . A A . 15 LYS C 1 1 12 3402 1 1 15 LYS CA C 9.606 -0.469 -1.164 1.00 . A A . 15 LYS CA 1 1 12 3403 1 1 15 LYS CB C 8.566 0.313 -0.352 1.00 . A A . 15 LYS CB 1 1 12 3404 1 1 15 LYS CD C 8.513 2.104 1.396 1.00 . A A . 15 LYS CD 1 1 12 3405 1 1 15 LYS CE C 8.911 2.456 2.842 1.00 . A A . 15 LYS CE 1 1 12 3406 1 1 15 LYS CG C 9.143 0.771 0.983 1.00 . A A . 15 LYS CG 1 1 12 3407 1 1 15 LYS H H 7.932 -1.781 -1.196 1.00 . A A . 15 LYS H 1 1 12 3408 1 1 15 LYS HA H 9.874 0.042 -2.075 1.00 . A A . 15 LYS HA 1 1 12 3409 1 1 15 LYS HB2 H 8.237 1.148 -0.912 1.00 . A A . 15 LYS HB2 1 1 12 3410 1 1 15 LYS HB3 H 7.719 -0.332 -0.160 1.00 . A A . 15 LYS HB3 1 1 12 3411 1 1 15 LYS HD2 H 8.857 2.879 0.729 1.00 . A A . 15 LYS HD2 1 1 12 3412 1 1 15 LYS HD3 H 7.439 2.027 1.329 1.00 . A A . 15 LYS HD3 1 1 12 3413 1 1 15 LYS HE2 H 9.977 2.314 2.982 1.00 . A A . 15 LYS HE2 1 1 12 3414 1 1 15 LYS HE3 H 8.635 3.475 3.072 1.00 . A A . 15 LYS HE3 1 1 12 3415 1 1 15 LYS HG2 H 8.928 0.017 1.727 1.00 . A A . 15 LYS HG2 1 1 12 3416 1 1 15 LYS HG3 H 10.208 0.890 0.888 1.00 . A A . 15 LYS HG3 1 1 12 3417 1 1 15 LYS HZ1 H 8.439 0.535 3.513 1.00 . A A . 15 LYS HZ1 1 1 12 3418 1 1 15 LYS HZ2 H 7.108 1.596 3.485 1.00 . A A . 15 LYS HZ2 1 1 12 3419 1 1 15 LYS HZ3 H 8.295 1.735 4.693 1.00 . A A . 15 LYS HZ3 1 1 12 3420 1 1 15 LYS N N 8.880 -1.730 -1.426 1.00 . A A . 15 LYS N 1 1 12 3421 1 1 15 LYS NZ N 8.133 1.509 3.695 1.00 . A A . 15 LYS NZ 1 1 12 3422 1 1 15 LYS O O 11.949 -0.470 -0.560 1.00 . A A . 15 LYS O 1 1 12 3423 1 1 16 SER C C 12.870 -2.554 0.831 1.00 . A A . 16 SER C 1 1 12 3424 1 1 16 SER CA C 11.543 -2.281 1.547 1.00 . A A . 16 SER CA 1 1 12 3425 1 1 16 SER CB C 10.893 -3.601 1.964 1.00 . A A . 16 SER CB 1 1 12 3426 1 1 16 SER H H 9.586 -1.966 0.720 1.00 . A A . 16 SER H 1 1 12 3427 1 1 16 SER HA H 11.692 -1.658 2.403 1.00 . A A . 16 SER HA 1 1 12 3428 1 1 16 SER HB2 H 10.351 -4.012 1.122 1.00 . A A . 16 SER HB2 1 1 12 3429 1 1 16 SER HB3 H 11.656 -4.309 2.267 1.00 . A A . 16 SER HB3 1 1 12 3430 1 1 16 SER HG H 9.193 -2.935 2.659 1.00 . A A . 16 SER HG 1 1 12 3431 1 1 16 SER N N 10.527 -1.697 0.626 1.00 . A A . 16 SER N 1 1 12 3432 1 1 16 SER O O 13.895 -1.992 1.164 1.00 . A A . 16 SER O 1 1 12 3433 1 1 16 SER OG O 9.981 -3.359 3.031 1.00 . A A . 16 SER OG 1 1 12 3434 1 1 17 PHE C C 14.249 -2.904 -2.131 1.00 . A A . 17 PHE C 1 1 12 3435 1 1 17 PHE CA C 14.103 -3.762 -0.867 1.00 . A A . 17 PHE CA 1 1 12 3436 1 1 17 PHE CB C 13.991 -5.256 -1.212 1.00 . A A . 17 PHE CB 1 1 12 3437 1 1 17 PHE CD1 C 12.538 -5.168 -3.268 1.00 . A A . 17 PHE CD1 1 1 12 3438 1 1 17 PHE CD2 C 11.693 -6.270 -1.287 1.00 . A A . 17 PHE CD2 1 1 12 3439 1 1 17 PHE CE1 C 11.353 -5.468 -3.941 1.00 . A A . 17 PHE CE1 1 1 12 3440 1 1 17 PHE CE2 C 10.505 -6.568 -1.958 1.00 . A A . 17 PHE CE2 1 1 12 3441 1 1 17 PHE CG C 12.709 -5.570 -1.941 1.00 . A A . 17 PHE CG 1 1 12 3442 1 1 17 PHE CZ C 10.333 -6.168 -3.287 1.00 . A A . 17 PHE CZ 1 1 12 3443 1 1 17 PHE H H 12.022 -3.867 -0.375 1.00 . A A . 17 PHE H 1 1 12 3444 1 1 17 PHE HA H 14.957 -3.608 -0.221 1.00 . A A . 17 PHE HA 1 1 12 3445 1 1 17 PHE HB2 H 14.812 -5.526 -1.837 1.00 . A A . 17 PHE HB2 1 1 12 3446 1 1 17 PHE HB3 H 14.026 -5.834 -0.300 1.00 . A A . 17 PHE HB3 1 1 12 3447 1 1 17 PHE HD1 H 13.326 -4.627 -3.774 1.00 . A A . 17 PHE HD1 1 1 12 3448 1 1 17 PHE HD2 H 11.824 -6.579 -0.262 1.00 . A A . 17 PHE HD2 1 1 12 3449 1 1 17 PHE HE1 H 11.215 -5.136 -4.957 1.00 . A A . 17 PHE HE1 1 1 12 3450 1 1 17 PHE HE2 H 9.710 -7.089 -1.442 1.00 . A A . 17 PHE HE2 1 1 12 3451 1 1 17 PHE HZ H 9.413 -6.400 -3.808 1.00 . A A . 17 PHE HZ 1 1 12 3452 1 1 17 PHE N N 12.854 -3.428 -0.135 1.00 . A A . 17 PHE N 1 1 12 3453 1 1 17 PHE O O 15.343 -2.707 -2.620 1.00 . A A . 17 PHE O 1 1 12 3454 1 1 18 NH2 HN1 H 12.299 -2.530 -2.307 1.00 . A A . 18 NH2 HN1 1 1 12 3455 1 1 18 NH2 HN2 H 13.285 -1.833 -3.500 1.00 . A A . 18 NH2 HN2 1 1 12 3456 1 1 18 NH2 N N 13.192 -2.378 -2.691 1.00 . A A . 18 NH2 N 1 1 13 3457 1 1 1 MET C C -4.948 5.624 -0.044 1.00 . A A . 1 MET C 1 1 13 3458 1 1 1 MET CA C -5.030 7.147 0.056 1.00 . A A . 1 MET CA 1 1 13 3459 1 1 1 MET CB C -5.302 7.763 -1.324 1.00 . A A . 1 MET CB 1 1 13 3460 1 1 1 MET CE C -6.838 10.529 -3.062 1.00 . A A . 1 MET CE 1 1 13 3461 1 1 1 MET CG C -6.683 8.429 -1.337 1.00 . A A . 1 MET CG 1 1 13 3462 1 1 1 MET H1 H -3.436 7.243 1.384 1.00 . A A . 1 MET H1 1 1 13 3463 1 1 1 MET H2 H -3.807 8.722 0.644 1.00 . A A . 1 MET H2 1 1 13 3464 1 1 1 MET H3 H -2.997 7.507 -0.228 1.00 . A A . 1 MET H3 1 1 13 3465 1 1 1 MET HA H -5.804 7.439 0.750 1.00 . A A . 1 MET HA 1 1 13 3466 1 1 1 MET HB2 H -4.544 8.503 -1.541 1.00 . A A . 1 MET HB2 1 1 13 3467 1 1 1 MET HB3 H -5.270 6.987 -2.076 1.00 . A A . 1 MET HB3 1 1 13 3468 1 1 1 MET HE1 H -5.843 10.704 -2.677 1.00 . A A . 1 MET HE1 1 1 13 3469 1 1 1 MET HE2 H -7.567 11.041 -2.446 1.00 . A A . 1 MET HE2 1 1 13 3470 1 1 1 MET HE3 H -6.901 10.905 -4.069 1.00 . A A . 1 MET HE3 1 1 13 3471 1 1 1 MET HG2 H -7.408 7.775 -0.867 1.00 . A A . 1 MET HG2 1 1 13 3472 1 1 1 MET HG3 H -6.640 9.362 -0.795 1.00 . A A . 1 MET HG3 1 1 13 3473 1 1 1 MET N N -3.718 7.696 0.495 1.00 . A A . 1 MET N 1 1 13 3474 1 1 1 MET O O -4.081 5.087 -0.708 1.00 . A A . 1 MET O 1 1 13 3475 1 1 1 MET SD S -7.182 8.750 -3.051 1.00 . A A . 1 MET SD 1 1 13 3476 1 1 2 ALA C C -6.914 2.917 -0.382 1.00 . A A . 2 ALA C 1 1 13 3477 1 1 2 ALA CA C -5.801 3.431 0.540 1.00 . A A . 2 ALA CA 1 1 13 3478 1 1 2 ALA CB C -6.017 2.959 1.986 1.00 . A A . 2 ALA CB 1 1 13 3479 1 1 2 ALA H H -6.529 5.373 1.137 1.00 . A A . 2 ALA H 1 1 13 3480 1 1 2 ALA HA H -4.837 3.100 0.186 1.00 . A A . 2 ALA HA 1 1 13 3481 1 1 2 ALA HB1 H -5.057 2.801 2.459 1.00 . A A . 2 ALA HB1 1 1 13 3482 1 1 2 ALA HB2 H -6.575 2.034 1.989 1.00 . A A . 2 ALA HB2 1 1 13 3483 1 1 2 ALA HB3 H -6.570 3.712 2.536 1.00 . A A . 2 ALA HB3 1 1 13 3484 1 1 2 ALA N N -5.837 4.921 0.607 1.00 . A A . 2 ALA N 1 1 13 3485 1 1 2 ALA O O -7.959 2.491 0.071 1.00 . A A . 2 ALA O 1 1 13 3486 1 1 3 THR C C -7.680 0.906 -2.603 1.00 . A A . 3 THR C 1 1 13 3487 1 1 3 THR CA C -7.729 2.433 -2.611 1.00 . A A . 3 THR CA 1 1 13 3488 1 1 3 THR CB C -7.318 2.995 -3.976 1.00 . A A . 3 THR CB 1 1 13 3489 1 1 3 THR CG2 C -7.748 4.464 -4.075 1.00 . A A . 3 THR CG2 1 1 13 3490 1 1 3 THR H H -5.844 3.267 -2.015 1.00 . A A . 3 THR H 1 1 13 3491 1 1 3 THR HA H -8.710 2.787 -2.333 1.00 . A A . 3 THR HA 1 1 13 3492 1 1 3 THR HB H -7.794 2.426 -4.753 1.00 . A A . 3 THR HB 1 1 13 3493 1 1 3 THR HG1 H -5.719 2.425 -4.940 1.00 . A A . 3 THR HG1 1 1 13 3494 1 1 3 THR HG21 H -7.336 5.019 -3.245 1.00 . A A . 3 THR HG21 1 1 13 3495 1 1 3 THR HG22 H -8.828 4.528 -4.049 1.00 . A A . 3 THR HG22 1 1 13 3496 1 1 3 THR HG23 H -7.387 4.883 -5.003 1.00 . A A . 3 THR HG23 1 1 13 3497 1 1 3 THR N N -6.695 2.939 -1.667 1.00 . A A . 3 THR N 1 1 13 3498 1 1 3 THR O O -8.697 0.235 -2.567 1.00 . A A . 3 THR O 1 1 13 3499 1 1 3 THR OG1 O -5.902 2.900 -4.119 1.00 . A A . 3 THR OG1 1 1 13 3500 1 1 4 LEU C C -5.401 -1.448 -1.384 1.00 . A A . 4 LEU C 1 1 13 3501 1 1 4 LEU CA C -6.327 -1.112 -2.557 1.00 . A A . 4 LEU CA 1 1 13 3502 1 1 4 LEU CB C -5.674 -1.493 -3.896 1.00 . A A . 4 LEU CB 1 1 13 3503 1 1 4 LEU CD1 C -5.509 -3.216 -5.698 1.00 . A A . 4 LEU CD1 1 1 13 3504 1 1 4 LEU CD2 C -6.031 -3.914 -3.365 1.00 . A A . 4 LEU CD2 1 1 13 3505 1 1 4 LEU CG C -6.241 -2.820 -4.413 1.00 . A A . 4 LEU CG 1 1 13 3506 1 1 4 LEU H H -5.696 0.935 -2.609 1.00 . A A . 4 LEU H 1 1 13 3507 1 1 4 LEU HA H -7.281 -1.596 -2.445 1.00 . A A . 4 LEU HA 1 1 13 3508 1 1 4 LEU HB2 H -5.867 -0.717 -4.623 1.00 . A A . 4 LEU HB2 1 1 13 3509 1 1 4 LEU HB3 H -4.608 -1.593 -3.757 1.00 . A A . 4 LEU HB3 1 1 13 3510 1 1 4 LEU HD11 H -4.470 -2.931 -5.621 1.00 . A A . 4 LEU HD11 1 1 13 3511 1 1 4 LEU HD12 H -5.956 -2.713 -6.540 1.00 . A A . 4 LEU HD12 1 1 13 3512 1 1 4 LEU HD13 H -5.578 -4.284 -5.840 1.00 . A A . 4 LEU HD13 1 1 13 3513 1 1 4 LEU HD21 H -5.036 -3.831 -2.953 1.00 . A A . 4 LEU HD21 1 1 13 3514 1 1 4 LEU HD22 H -6.147 -4.883 -3.829 1.00 . A A . 4 LEU HD22 1 1 13 3515 1 1 4 LEU HD23 H -6.759 -3.804 -2.575 1.00 . A A . 4 LEU HD23 1 1 13 3516 1 1 4 LEU HG H -7.296 -2.708 -4.619 1.00 . A A . 4 LEU HG 1 1 13 3517 1 1 4 LEU N N -6.491 0.362 -2.603 1.00 . A A . 4 LEU N 1 1 13 3518 1 1 4 LEU O O -4.238 -1.735 -1.569 1.00 . A A . 4 LEU O 1 1 13 3519 1 1 5 GLU C C -4.039 -2.764 0.809 1.00 . A A . 5 GLU C 1 1 13 3520 1 1 5 GLU CA C -5.085 -1.657 1.046 1.00 . A A . 5 GLU CA 1 1 13 3521 1 1 5 GLU CB C -6.090 -2.084 2.135 1.00 . A A . 5 GLU CB 1 1 13 3522 1 1 5 GLU CD C -7.201 -4.317 2.276 1.00 . A A . 5 GLU CD 1 1 13 3523 1 1 5 GLU CG C -7.195 -2.979 1.549 1.00 . A A . 5 GLU CG 1 1 13 3524 1 1 5 GLU H H -6.852 -1.114 -0.077 1.00 . A A . 5 GLU H 1 1 13 3525 1 1 5 GLU HA H -4.586 -0.756 1.362 1.00 . A A . 5 GLU HA 1 1 13 3526 1 1 5 GLU HB2 H -5.564 -2.628 2.906 1.00 . A A . 5 GLU HB2 1 1 13 3527 1 1 5 GLU HB3 H -6.541 -1.204 2.570 1.00 . A A . 5 GLU HB3 1 1 13 3528 1 1 5 GLU HG2 H -8.155 -2.496 1.674 1.00 . A A . 5 GLU HG2 1 1 13 3529 1 1 5 GLU HG3 H -7.013 -3.145 0.499 1.00 . A A . 5 GLU HG3 1 1 13 3530 1 1 5 GLU N N -5.914 -1.377 -0.181 1.00 . A A . 5 GLU N 1 1 13 3531 1 1 5 GLU O O -2.892 -2.625 1.184 1.00 . A A . 5 GLU O 1 1 13 3532 1 1 5 GLU OE1 O -7.750 -4.382 3.357 1.00 . A A . 5 GLU OE1 1 1 13 3533 1 1 5 GLU OE2 O -6.660 -5.261 1.739 1.00 . A A . 5 GLU OE2 1 1 13 3534 1 1 6 LYS C C -2.214 -4.455 -0.807 1.00 . A A . 6 LYS C 1 1 13 3535 1 1 6 LYS CA C -3.439 -4.964 -0.046 1.00 . A A . 6 LYS CA 1 1 13 3536 1 1 6 LYS CB C -4.200 -6.004 -0.878 1.00 . A A . 6 LYS CB 1 1 13 3537 1 1 6 LYS CD C -4.709 -7.605 0.999 1.00 . A A . 6 LYS CD 1 1 13 3538 1 1 6 LYS CE C -6.058 -8.290 0.741 1.00 . A A . 6 LYS CE 1 1 13 3539 1 1 6 LYS CG C -3.954 -7.413 -0.322 1.00 . A A . 6 LYS CG 1 1 13 3540 1 1 6 LYS H H -5.347 -3.951 -0.092 1.00 . A A . 6 LYS H 1 1 13 3541 1 1 6 LYS HA H -3.127 -5.387 0.890 1.00 . A A . 6 LYS HA 1 1 13 3542 1 1 6 LYS HB2 H -5.254 -5.781 -0.846 1.00 . A A . 6 LYS HB2 1 1 13 3543 1 1 6 LYS HB3 H -3.857 -5.959 -1.902 1.00 . A A . 6 LYS HB3 1 1 13 3544 1 1 6 LYS HD2 H -4.118 -8.221 1.660 1.00 . A A . 6 LYS HD2 1 1 13 3545 1 1 6 LYS HD3 H -4.878 -6.645 1.462 1.00 . A A . 6 LYS HD3 1 1 13 3546 1 1 6 LYS HE2 H -5.928 -9.137 0.081 1.00 . A A . 6 LYS HE2 1 1 13 3547 1 1 6 LYS HE3 H -6.498 -8.604 1.674 1.00 . A A . 6 LYS HE3 1 1 13 3548 1 1 6 LYS HG2 H -4.295 -8.147 -1.040 1.00 . A A . 6 LYS HG2 1 1 13 3549 1 1 6 LYS HG3 H -2.897 -7.550 -0.148 1.00 . A A . 6 LYS HG3 1 1 13 3550 1 1 6 LYS HZ1 H -6.611 -7.104 -0.881 1.00 . A A . 6 LYS HZ1 1 1 13 3551 1 1 6 LYS HZ2 H -6.840 -6.353 0.632 1.00 . A A . 6 LYS HZ2 1 1 13 3552 1 1 6 LYS HZ3 H -7.902 -7.572 0.101 1.00 . A A . 6 LYS HZ3 1 1 13 3553 1 1 6 LYS N N -4.419 -3.857 0.199 1.00 . A A . 6 LYS N 1 1 13 3554 1 1 6 LYS NZ N -6.913 -7.253 0.099 1.00 . A A . 6 LYS NZ 1 1 13 3555 1 1 6 LYS O O -1.098 -4.881 -0.551 1.00 . A A . 6 LYS O 1 1 13 3556 1 1 7 LEU C C -0.283 -2.275 -1.513 1.00 . A A . 7 LEU C 1 1 13 3557 1 1 7 LEU CA C -1.230 -3.013 -2.475 1.00 . A A . 7 LEU CA 1 1 13 3558 1 1 7 LEU CB C -1.806 -2.068 -3.550 1.00 . A A . 7 LEU CB 1 1 13 3559 1 1 7 LEU CD1 C -0.579 0.094 -3.207 1.00 . A A . 7 LEU CD1 1 1 13 3560 1 1 7 LEU CD2 C -3.003 0.120 -3.796 1.00 . A A . 7 LEU CD2 1 1 13 3561 1 1 7 LEU CG C -1.916 -0.629 -3.019 1.00 . A A . 7 LEU CG 1 1 13 3562 1 1 7 LEU H H -3.296 -3.208 -1.913 1.00 . A A . 7 LEU H 1 1 13 3563 1 1 7 LEU HA H -0.709 -3.825 -2.952 1.00 . A A . 7 LEU HA 1 1 13 3564 1 1 7 LEU HB2 H -1.155 -2.079 -4.411 1.00 . A A . 7 LEU HB2 1 1 13 3565 1 1 7 LEU HB3 H -2.786 -2.417 -3.843 1.00 . A A . 7 LEU HB3 1 1 13 3566 1 1 7 LEU HD11 H -0.741 1.032 -3.720 1.00 . A A . 7 LEU HD11 1 1 13 3567 1 1 7 LEU HD12 H 0.085 -0.525 -3.791 1.00 . A A . 7 LEU HD12 1 1 13 3568 1 1 7 LEU HD13 H -0.135 0.285 -2.241 1.00 . A A . 7 LEU HD13 1 1 13 3569 1 1 7 LEU HD21 H -2.663 1.123 -4.021 1.00 . A A . 7 LEU HD21 1 1 13 3570 1 1 7 LEU HD22 H -3.900 0.169 -3.199 1.00 . A A . 7 LEU HD22 1 1 13 3571 1 1 7 LEU HD23 H -3.212 -0.403 -4.719 1.00 . A A . 7 LEU HD23 1 1 13 3572 1 1 7 LEU HG H -2.170 -0.648 -1.968 1.00 . A A . 7 LEU HG 1 1 13 3573 1 1 7 LEU N N -2.398 -3.547 -1.727 1.00 . A A . 7 LEU N 1 1 13 3574 1 1 7 LEU O O 0.851 -1.992 -1.856 1.00 . A A . 7 LEU O 1 1 13 3575 1 1 8 MET C C 1.193 -2.306 1.203 1.00 . A A . 8 MET C 1 1 13 3576 1 1 8 MET CA C 0.198 -1.283 0.647 1.00 . A A . 8 MET CA 1 1 13 3577 1 1 8 MET CB C -0.709 -0.661 1.735 1.00 . A A . 8 MET CB 1 1 13 3578 1 1 8 MET CE C -1.233 0.837 4.237 1.00 . A A . 8 MET CE 1 1 13 3579 1 1 8 MET CG C -0.790 -1.550 2.983 1.00 . A A . 8 MET CG 1 1 13 3580 1 1 8 MET H H -1.623 -2.240 -0.021 1.00 . A A . 8 MET H 1 1 13 3581 1 1 8 MET HA H 0.737 -0.501 0.124 1.00 . A A . 8 MET HA 1 1 13 3582 1 1 8 MET HB2 H -0.312 0.302 2.015 1.00 . A A . 8 MET HB2 1 1 13 3583 1 1 8 MET HB3 H -1.702 -0.529 1.330 1.00 . A A . 8 MET HB3 1 1 13 3584 1 1 8 MET HE1 H -0.158 0.775 4.128 1.00 . A A . 8 MET HE1 1 1 13 3585 1 1 8 MET HE2 H -1.478 1.301 5.183 1.00 . A A . 8 MET HE2 1 1 13 3586 1 1 8 MET HE3 H -1.641 1.428 3.435 1.00 . A A . 8 MET HE3 1 1 13 3587 1 1 8 MET HG2 H -1.137 -2.531 2.704 1.00 . A A . 8 MET HG2 1 1 13 3588 1 1 8 MET HG3 H 0.191 -1.631 3.432 1.00 . A A . 8 MET HG3 1 1 13 3589 1 1 8 MET N N -0.714 -1.983 -0.303 1.00 . A A . 8 MET N 1 1 13 3590 1 1 8 MET O O 2.386 -2.080 1.189 1.00 . A A . 8 MET O 1 1 13 3591 1 1 8 MET SD S -1.944 -0.829 4.179 1.00 . A A . 8 MET SD 1 1 13 3592 1 1 9 LYS C C 2.526 -4.899 0.930 1.00 . A A . 9 LYS C 1 1 13 3593 1 1 9 LYS CA C 1.674 -4.492 2.116 1.00 . A A . 9 LYS CA 1 1 13 3594 1 1 9 LYS CB C 0.817 -5.660 2.621 1.00 . A A . 9 LYS CB 1 1 13 3595 1 1 9 LYS CD C 1.466 -5.557 5.035 1.00 . A A . 9 LYS CD 1 1 13 3596 1 1 9 LYS CE C 1.011 -6.442 6.204 1.00 . A A . 9 LYS CE 1 1 13 3597 1 1 9 LYS CG C 1.554 -6.390 3.750 1.00 . A A . 9 LYS CG 1 1 13 3598 1 1 9 LYS H H -0.236 -3.645 1.594 1.00 . A A . 9 LYS H 1 1 13 3599 1 1 9 LYS HA H 2.295 -4.100 2.896 1.00 . A A . 9 LYS HA 1 1 13 3600 1 1 9 LYS HB2 H -0.124 -5.281 2.991 1.00 . A A . 9 LYS HB2 1 1 13 3601 1 1 9 LYS HB3 H 0.631 -6.347 1.808 1.00 . A A . 9 LYS HB3 1 1 13 3602 1 1 9 LYS HD2 H 2.434 -5.128 5.256 1.00 . A A . 9 LYS HD2 1 1 13 3603 1 1 9 LYS HD3 H 0.747 -4.761 4.895 1.00 . A A . 9 LYS HD3 1 1 13 3604 1 1 9 LYS HE2 H 0.958 -5.861 7.113 1.00 . A A . 9 LYS HE2 1 1 13 3605 1 1 9 LYS HE3 H 0.051 -6.886 5.986 1.00 . A A . 9 LYS HE3 1 1 13 3606 1 1 9 LYS HG2 H 1.096 -7.357 3.912 1.00 . A A . 9 LYS HG2 1 1 13 3607 1 1 9 LYS HG3 H 2.590 -6.521 3.478 1.00 . A A . 9 LYS HG3 1 1 13 3608 1 1 9 LYS HZ1 H 2.017 -7.911 7.288 1.00 . A A . 9 LYS HZ1 1 1 13 3609 1 1 9 LYS HZ2 H 2.988 -7.111 6.156 1.00 . A A . 9 LYS HZ2 1 1 13 3610 1 1 9 LYS HZ3 H 1.856 -8.262 5.637 1.00 . A A . 9 LYS HZ3 1 1 13 3611 1 1 9 LYS N N 0.724 -3.454 1.633 1.00 . A A . 9 LYS N 1 1 13 3612 1 1 9 LYS NZ N 2.046 -7.511 6.329 1.00 . A A . 9 LYS NZ 1 1 13 3613 1 1 9 LYS O O 3.719 -5.073 1.044 1.00 . A A . 9 LYS O 1 1 13 3614 1 1 10 ALA C C 3.811 -4.370 -1.596 1.00 . A A . 10 ALA C 1 1 13 3615 1 1 10 ALA CA C 2.672 -5.325 -1.463 1.00 . A A . 10 ALA CA 1 1 13 3616 1 1 10 ALA CB C 1.741 -4.958 -2.617 1.00 . A A . 10 ALA CB 1 1 13 3617 1 1 10 ALA H H 0.956 -4.804 -0.269 1.00 . A A . 10 ALA H 1 1 13 3618 1 1 10 ALA HA H 2.987 -6.355 -1.508 1.00 . A A . 10 ALA HA 1 1 13 3619 1 1 10 ALA HB1 H 1.190 -4.061 -2.349 1.00 . A A . 10 ALA HB1 1 1 13 3620 1 1 10 ALA HB2 H 1.065 -5.752 -2.826 1.00 . A A . 10 ALA HB2 1 1 13 3621 1 1 10 ALA HB3 H 2.345 -4.740 -3.494 1.00 . A A . 10 ALA HB3 1 1 13 3622 1 1 10 ALA N N 1.916 -4.995 -0.220 1.00 . A A . 10 ALA N 1 1 13 3623 1 1 10 ALA O O 4.972 -4.719 -1.694 1.00 . A A . 10 ALA O 1 1 13 3624 1 1 11 PHE C C 5.334 -1.939 -0.742 1.00 . A A . 11 PHE C 1 1 13 3625 1 1 11 PHE CA C 4.376 -2.077 -1.870 1.00 . A A . 11 PHE CA 1 1 13 3626 1 1 11 PHE CB C 3.558 -0.837 -1.933 1.00 . A A . 11 PHE CB 1 1 13 3627 1 1 11 PHE CD1 C 4.972 0.279 -3.589 1.00 . A A . 11 PHE CD1 1 1 13 3628 1 1 11 PHE CD2 C 4.986 1.050 -1.297 1.00 . A A . 11 PHE CD2 1 1 13 3629 1 1 11 PHE CE1 C 5.909 1.262 -3.936 1.00 . A A . 11 PHE CE1 1 1 13 3630 1 1 11 PHE CE2 C 5.924 2.034 -1.620 1.00 . A A . 11 PHE CE2 1 1 13 3631 1 1 11 PHE CG C 4.527 0.199 -2.283 1.00 . A A . 11 PHE CG 1 1 13 3632 1 1 11 PHE CZ C 6.382 2.149 -2.947 1.00 . A A . 11 PHE CZ 1 1 13 3633 1 1 11 PHE H H 2.468 -2.930 -1.627 1.00 . A A . 11 PHE H 1 1 13 3634 1 1 11 PHE HA H 4.895 -2.203 -2.786 1.00 . A A . 11 PHE HA 1 1 13 3635 1 1 11 PHE HB2 H 2.786 -0.924 -2.684 1.00 . A A . 11 PHE HB2 1 1 13 3636 1 1 11 PHE HB3 H 3.123 -0.621 -0.969 1.00 . A A . 11 PHE HB3 1 1 13 3637 1 1 11 PHE HD1 H 4.603 -0.447 -4.323 1.00 . A A . 11 PHE HD1 1 1 13 3638 1 1 11 PHE HD2 H 4.637 0.907 -0.269 1.00 . A A . 11 PHE HD2 1 1 13 3639 1 1 11 PHE HE1 H 6.269 1.337 -4.953 1.00 . A A . 11 PHE HE1 1 1 13 3640 1 1 11 PHE HE2 H 6.285 2.712 -0.856 1.00 . A A . 11 PHE HE2 1 1 13 3641 1 1 11 PHE HZ H 7.103 2.911 -3.202 1.00 . A A . 11 PHE HZ 1 1 13 3642 1 1 11 PHE N N 3.427 -3.142 -1.669 1.00 . A A . 11 PHE N 1 1 13 3643 1 1 11 PHE O O 6.530 -1.956 -0.938 1.00 . A A . 11 PHE O 1 1 13 3644 1 1 12 GLU C C 6.744 -2.755 1.510 1.00 . A A . 12 GLU C 1 1 13 3645 1 1 12 GLU CA C 5.781 -1.557 1.531 1.00 . A A . 12 GLU CA 1 1 13 3646 1 1 12 GLU CB C 4.950 -1.489 2.817 1.00 . A A . 12 GLU CB 1 1 13 3647 1 1 12 GLU CD C 3.256 0.357 2.843 1.00 . A A . 12 GLU CD 1 1 13 3648 1 1 12 GLU CG C 4.696 -0.022 3.185 1.00 . A A . 12 GLU CG 1 1 13 3649 1 1 12 GLU H H 3.871 -1.677 0.564 1.00 . A A . 12 GLU H 1 1 13 3650 1 1 12 GLU HA H 6.305 -0.628 1.350 1.00 . A A . 12 GLU HA 1 1 13 3651 1 1 12 GLU HB2 H 4.005 -1.993 2.667 1.00 . A A . 12 GLU HB2 1 1 13 3652 1 1 12 GLU HB3 H 5.488 -1.968 3.616 1.00 . A A . 12 GLU HB3 1 1 13 3653 1 1 12 GLU HG2 H 4.861 0.120 4.245 1.00 . A A . 12 GLU HG2 1 1 13 3654 1 1 12 GLU HG3 H 5.370 0.610 2.628 1.00 . A A . 12 GLU HG3 1 1 13 3655 1 1 12 GLU N N 4.842 -1.741 0.430 1.00 . A A . 12 GLU N 1 1 13 3656 1 1 12 GLU O O 7.925 -2.630 1.775 1.00 . A A . 12 GLU O 1 1 13 3657 1 1 12 GLU OE1 O 2.368 -0.052 3.568 1.00 . A A . 12 GLU OE1 1 1 13 3658 1 1 12 GLU OE2 O 3.065 1.066 1.870 1.00 . A A . 12 GLU OE2 1 1 13 3659 1 1 13 SER C C 8.119 -4.942 -0.167 1.00 . A A . 13 SER C 1 1 13 3660 1 1 13 SER CA C 7.122 -5.116 1.002 1.00 . A A . 13 SER CA 1 1 13 3661 1 1 13 SER CB C 6.168 -6.281 0.729 1.00 . A A . 13 SER CB 1 1 13 3662 1 1 13 SER H H 5.290 -3.981 0.890 1.00 . A A . 13 SER H 1 1 13 3663 1 1 13 SER HA H 7.653 -5.287 1.921 1.00 . A A . 13 SER HA 1 1 13 3664 1 1 13 SER HB2 H 5.450 -5.996 -0.030 1.00 . A A . 13 SER HB2 1 1 13 3665 1 1 13 SER HB3 H 6.731 -7.138 0.383 1.00 . A A . 13 SER HB3 1 1 13 3666 1 1 13 SER HG H 4.562 -6.296 1.830 1.00 . A A . 13 SER HG 1 1 13 3667 1 1 13 SER N N 6.246 -3.913 1.128 1.00 . A A . 13 SER N 1 1 13 3668 1 1 13 SER O O 8.978 -5.768 -0.364 1.00 . A A . 13 SER O 1 1 13 3669 1 1 13 SER OG O 5.473 -6.605 1.930 1.00 . A A . 13 SER OG 1 1 13 3670 1 1 14 LEU C C 10.142 -2.817 -1.402 1.00 . A A . 14 LEU C 1 1 13 3671 1 1 14 LEU CA C 9.030 -3.610 -2.015 1.00 . A A . 14 LEU CA 1 1 13 3672 1 1 14 LEU CB C 8.321 -2.764 -3.075 1.00 . A A . 14 LEU CB 1 1 13 3673 1 1 14 LEU CD1 C 6.157 -2.918 -4.227 1.00 . A A . 14 LEU CD1 1 1 13 3674 1 1 14 LEU CD2 C 8.178 -3.834 -5.334 1.00 . A A . 14 LEU CD2 1 1 13 3675 1 1 14 LEU CG C 7.472 -3.636 -3.989 1.00 . A A . 14 LEU CG 1 1 13 3676 1 1 14 LEU H H 7.384 -3.160 -0.699 1.00 . A A . 14 LEU H 1 1 13 3677 1 1 14 LEU HA H 9.401 -4.530 -2.420 1.00 . A A . 14 LEU HA 1 1 13 3678 1 1 14 LEU HB2 H 7.685 -2.042 -2.587 1.00 . A A . 14 LEU HB2 1 1 13 3679 1 1 14 LEU HB3 H 9.056 -2.243 -3.665 1.00 . A A . 14 LEU HB3 1 1 13 3680 1 1 14 LEU HD11 H 5.986 -2.815 -5.286 1.00 . A A . 14 LEU HD11 1 1 13 3681 1 1 14 LEU HD12 H 6.206 -1.937 -3.773 1.00 . A A . 14 LEU HD12 1 1 13 3682 1 1 14 LEU HD13 H 5.353 -3.483 -3.776 1.00 . A A . 14 LEU HD13 1 1 13 3683 1 1 14 LEU HD21 H 7.818 -3.099 -6.040 1.00 . A A . 14 LEU HD21 1 1 13 3684 1 1 14 LEU HD22 H 7.972 -4.825 -5.710 1.00 . A A . 14 LEU HD22 1 1 13 3685 1 1 14 LEU HD23 H 9.240 -3.712 -5.205 1.00 . A A . 14 LEU HD23 1 1 13 3686 1 1 14 LEU HG H 7.290 -4.593 -3.521 1.00 . A A . 14 LEU HG 1 1 13 3687 1 1 14 LEU N N 8.050 -3.851 -0.907 1.00 . A A . 14 LEU N 1 1 13 3688 1 1 14 LEU O O 11.288 -3.189 -1.456 1.00 . A A . 14 LEU O 1 1 13 3689 1 1 15 LYS C C 11.665 -1.899 0.748 1.00 . A A . 15 LYS C 1 1 13 3690 1 1 15 LYS CA C 10.696 -0.951 0.027 1.00 . A A . 15 LYS CA 1 1 13 3691 1 1 15 LYS CB C 9.715 -0.307 0.990 1.00 . A A . 15 LYS CB 1 1 13 3692 1 1 15 LYS CD C 9.383 1.565 2.590 1.00 . A A . 15 LYS CD 1 1 13 3693 1 1 15 LYS CE C 9.768 1.412 4.067 1.00 . A A . 15 LYS CE 1 1 13 3694 1 1 15 LYS CG C 10.393 0.820 1.711 1.00 . A A . 15 LYS CG 1 1 13 3695 1 1 15 LYS H H 8.820 -1.555 -0.662 1.00 . A A . 15 LYS H 1 1 13 3696 1 1 15 LYS HA H 11.197 -0.218 -0.582 1.00 . A A . 15 LYS HA 1 1 13 3697 1 1 15 LYS HB2 H 8.874 0.070 0.429 1.00 . A A . 15 LYS HB2 1 1 13 3698 1 1 15 LYS HB3 H 9.368 -1.052 1.687 1.00 . A A . 15 LYS HB3 1 1 13 3699 1 1 15 LYS HD2 H 9.383 2.610 2.324 1.00 . A A . 15 LYS HD2 1 1 13 3700 1 1 15 LYS HD3 H 8.393 1.157 2.439 1.00 . A A . 15 LYS HD3 1 1 13 3701 1 1 15 LYS HE2 H 8.960 1.752 4.704 1.00 . A A . 15 LYS HE2 1 1 13 3702 1 1 15 LYS HE3 H 10.009 0.385 4.283 1.00 . A A . 15 LYS HE3 1 1 13 3703 1 1 15 LYS HG2 H 11.183 0.413 2.313 1.00 . A A . 15 LYS HG2 1 1 13 3704 1 1 15 LYS HG3 H 10.797 1.493 0.973 1.00 . A A . 15 LYS HG3 1 1 13 3705 1 1 15 LYS HZ1 H 10.743 3.258 4.046 1.00 . A A . 15 LYS HZ1 1 1 13 3706 1 1 15 LYS HZ2 H 11.736 1.952 3.623 1.00 . A A . 15 LYS HZ2 1 1 13 3707 1 1 15 LYS HZ3 H 11.303 2.193 5.244 1.00 . A A . 15 LYS HZ3 1 1 13 3708 1 1 15 LYS N N 9.762 -1.772 -0.727 1.00 . A A . 15 LYS N 1 1 13 3709 1 1 15 LYS NZ N 10.976 2.268 4.257 1.00 . A A . 15 LYS NZ 1 1 13 3710 1 1 15 LYS O O 12.845 -1.644 0.878 1.00 . A A . 15 LYS O 1 1 13 3711 1 1 16 SER C C 13.164 -4.464 0.978 1.00 . A A . 16 SER C 1 1 13 3712 1 1 16 SER CA C 11.937 -4.087 1.826 1.00 . A A . 16 SER CA 1 1 13 3713 1 1 16 SER CB C 10.966 -5.270 1.887 1.00 . A A . 16 SER CB 1 1 13 3714 1 1 16 SER H H 10.181 -3.178 0.999 1.00 . A A . 16 SER H 1 1 13 3715 1 1 16 SER HA H 12.229 -3.796 2.813 1.00 . A A . 16 SER HA 1 1 13 3716 1 1 16 SER HB2 H 10.492 -5.386 0.922 1.00 . A A . 16 SER HB2 1 1 13 3717 1 1 16 SER HB3 H 11.512 -6.172 2.119 1.00 . A A . 16 SER HB3 1 1 13 3718 1 1 16 SER HG H 9.367 -4.340 2.537 1.00 . A A . 16 SER HG 1 1 13 3719 1 1 16 SER N N 11.135 -3.022 1.160 1.00 . A A . 16 SER N 1 1 13 3720 1 1 16 SER O O 14.291 -4.403 1.432 1.00 . A A . 16 SER O 1 1 13 3721 1 1 16 SER OG O 9.968 -5.018 2.878 1.00 . A A . 16 SER OG 1 1 13 3722 1 1 17 PHE C C 14.417 -4.189 -2.139 1.00 . A A . 17 PHE C 1 1 13 3723 1 1 17 PHE CA C 14.063 -5.288 -1.127 1.00 . A A . 17 PHE CA 1 1 13 3724 1 1 17 PHE CB C 13.571 -6.561 -1.834 1.00 . A A . 17 PHE CB 1 1 13 3725 1 1 17 PHE CD1 C 12.043 -5.541 -3.582 1.00 . A A . 17 PHE CD1 1 1 13 3726 1 1 17 PHE CD2 C 11.102 -7.092 -1.984 1.00 . A A . 17 PHE CD2 1 1 13 3727 1 1 17 PHE CE1 C 10.786 -5.404 -4.184 1.00 . A A . 17 PHE CE1 1 1 13 3728 1 1 17 PHE CE2 C 9.847 -6.963 -2.591 1.00 . A A . 17 PHE CE2 1 1 13 3729 1 1 17 PHE CG C 12.204 -6.386 -2.481 1.00 . A A . 17 PHE CG 1 1 13 3730 1 1 17 PHE CZ C 9.689 -6.117 -3.690 1.00 . A A . 17 PHE CZ 1 1 13 3731 1 1 17 PHE H H 12.025 -4.932 -0.569 1.00 . A A . 17 PHE H 1 1 13 3732 1 1 17 PHE HA H 14.930 -5.525 -0.532 1.00 . A A . 17 PHE HA 1 1 13 3733 1 1 17 PHE HB2 H 14.276 -6.829 -2.592 1.00 . A A . 17 PHE HB2 1 1 13 3734 1 1 17 PHE HB3 H 13.510 -7.354 -1.109 1.00 . A A . 17 PHE HB3 1 1 13 3735 1 1 17 PHE HD1 H 12.886 -4.988 -3.964 1.00 . A A . 17 PHE HD1 1 1 13 3736 1 1 17 PHE HD2 H 11.224 -7.745 -1.132 1.00 . A A . 17 PHE HD2 1 1 13 3737 1 1 17 PHE HE1 H 10.663 -4.743 -5.030 1.00 . A A . 17 PHE HE1 1 1 13 3738 1 1 17 PHE HE2 H 8.992 -7.499 -2.193 1.00 . A A . 17 PHE HE2 1 1 13 3739 1 1 17 PHE HZ H 8.721 -6.016 -4.161 1.00 . A A . 17 PHE HZ 1 1 13 3740 1 1 17 PHE N N 12.939 -4.877 -0.242 1.00 . A A . 17 PHE N 1 1 13 3741 1 1 17 PHE O O 15.518 -4.151 -2.652 1.00 . A A . 17 PHE O 1 1 13 3742 1 1 18 NH2 HN1 H 12.646 -3.308 -2.040 1.00 . A A . 18 NH2 HN1 1 1 13 3743 1 1 18 NH2 HN2 H 13.767 -2.588 -3.093 1.00 . A A . 18 NH2 HN2 1 1 13 3744 1 1 18 NH2 N N 13.542 -3.289 -2.450 1.00 . A A . 18 NH2 N 1 1 14 3745 1 1 1 MET C C -12.908 1.385 0.524 1.00 . A A . 1 MET C 1 1 14 3746 1 1 1 MET CA C -14.372 1.372 0.072 1.00 . A A . 1 MET CA 1 1 14 3747 1 1 1 MET CB C -15.111 2.619 0.576 1.00 . A A . 1 MET CB 1 1 14 3748 1 1 1 MET CE C -16.629 5.713 -0.511 1.00 . A A . 1 MET CE 1 1 14 3749 1 1 1 MET CG C -16.173 3.034 -0.445 1.00 . A A . 1 MET CG 1 1 14 3750 1 1 1 MET H1 H -14.785 0.102 1.675 1.00 . A A . 1 MET H1 1 1 14 3751 1 1 1 MET H2 H -14.857 -0.648 0.153 1.00 . A A . 1 MET H2 1 1 14 3752 1 1 1 MET H3 H -16.111 0.378 0.648 1.00 . A A . 1 MET H3 1 1 14 3753 1 1 1 MET HA H -14.431 1.320 -1.002 1.00 . A A . 1 MET HA 1 1 14 3754 1 1 1 MET HB2 H -15.589 2.399 1.521 1.00 . A A . 1 MET HB2 1 1 14 3755 1 1 1 MET HB3 H -14.405 3.426 0.712 1.00 . A A . 1 MET HB3 1 1 14 3756 1 1 1 MET HE1 H -16.292 6.416 0.240 1.00 . A A . 1 MET HE1 1 1 14 3757 1 1 1 MET HE2 H -17.399 6.169 -1.115 1.00 . A A . 1 MET HE2 1 1 14 3758 1 1 1 MET HE3 H -15.800 5.437 -1.142 1.00 . A A . 1 MET HE3 1 1 14 3759 1 1 1 MET HG2 H -15.690 3.476 -1.306 1.00 . A A . 1 MET HG2 1 1 14 3760 1 1 1 MET HG3 H -16.735 2.164 -0.756 1.00 . A A . 1 MET HG3 1 1 14 3761 1 1 1 MET N N -15.086 0.216 0.685 1.00 . A A . 1 MET N 1 1 14 3762 1 1 1 MET O O -12.607 1.591 1.687 1.00 . A A . 1 MET O 1 1 14 3763 1 1 1 MET SD S -17.295 4.239 0.303 1.00 . A A . 1 MET SD 1 1 14 3764 1 1 2 ALA C C -9.729 1.558 -1.246 1.00 . A A . 2 ALA C 1 1 14 3765 1 1 2 ALA CA C -10.551 1.154 -0.028 1.00 . A A . 2 ALA CA 1 1 14 3766 1 1 2 ALA CB C -10.236 -0.289 0.371 1.00 . A A . 2 ALA CB 1 1 14 3767 1 1 2 ALA H H -12.267 0.993 -1.314 1.00 . A A . 2 ALA H 1 1 14 3768 1 1 2 ALA HA H -10.358 1.821 0.797 1.00 . A A . 2 ALA HA 1 1 14 3769 1 1 2 ALA HB1 H -10.027 -0.334 1.429 1.00 . A A . 2 ALA HB1 1 1 14 3770 1 1 2 ALA HB2 H -9.372 -0.638 -0.181 1.00 . A A . 2 ALA HB2 1 1 14 3771 1 1 2 ALA HB3 H -11.082 -0.920 0.144 1.00 . A A . 2 ALA HB3 1 1 14 3772 1 1 2 ALA N N -11.999 1.159 -0.385 1.00 . A A . 2 ALA N 1 1 14 3773 1 1 2 ALA O O -10.214 1.537 -2.364 1.00 . A A . 2 ALA O 1 1 14 3774 1 1 3 THR C C -6.593 1.247 -2.444 1.00 . A A . 3 THR C 1 1 14 3775 1 1 3 THR CA C -7.649 2.330 -2.191 1.00 . A A . 3 THR CA 1 1 14 3776 1 1 3 THR CB C -7.006 3.648 -1.747 1.00 . A A . 3 THR CB 1 1 14 3777 1 1 3 THR CG2 C -7.982 4.797 -1.983 1.00 . A A . 3 THR CG2 1 1 14 3778 1 1 3 THR H H -8.132 1.948 -0.138 1.00 . A A . 3 THR H 1 1 14 3779 1 1 3 THR HA H -8.252 2.488 -3.071 1.00 . A A . 3 THR HA 1 1 14 3780 1 1 3 THR HB H -6.109 3.818 -2.313 1.00 . A A . 3 THR HB 1 1 14 3781 1 1 3 THR HG1 H -6.002 4.229 -0.177 1.00 . A A . 3 THR HG1 1 1 14 3782 1 1 3 THR HG21 H -8.847 4.670 -1.348 1.00 . A A . 3 THR HG21 1 1 14 3783 1 1 3 THR HG22 H -8.291 4.802 -3.017 1.00 . A A . 3 THR HG22 1 1 14 3784 1 1 3 THR HG23 H -7.498 5.733 -1.747 1.00 . A A . 3 THR HG23 1 1 14 3785 1 1 3 THR N N -8.502 1.929 -1.045 1.00 . A A . 3 THR N 1 1 14 3786 1 1 3 THR O O -6.700 0.464 -3.370 1.00 . A A . 3 THR O 1 1 14 3787 1 1 3 THR OG1 O -6.690 3.577 -0.361 1.00 . A A . 3 THR OG1 1 1 14 3788 1 1 4 LEU C C -4.467 -0.708 -0.518 1.00 . A A . 4 LEU C 1 1 14 3789 1 1 4 LEU CA C -4.510 0.170 -1.779 1.00 . A A . 4 LEU CA 1 1 14 3790 1 1 4 LEU CB C -3.230 0.992 -1.918 1.00 . A A . 4 LEU CB 1 1 14 3791 1 1 4 LEU CD1 C -3.501 3.307 -2.837 1.00 . A A . 4 LEU CD1 1 1 14 3792 1 1 4 LEU CD2 C -2.004 1.687 -3.982 1.00 . A A . 4 LEU CD2 1 1 14 3793 1 1 4 LEU CG C -3.303 1.835 -3.198 1.00 . A A . 4 LEU CG 1 1 14 3794 1 1 4 LEU H H -5.517 1.834 -0.879 1.00 . A A . 4 LEU H 1 1 14 3795 1 1 4 LEU HA H -4.674 -0.428 -2.663 1.00 . A A . 4 LEU HA 1 1 14 3796 1 1 4 LEU HB2 H -3.130 1.645 -1.060 1.00 . A A . 4 LEU HB2 1 1 14 3797 1 1 4 LEU HB3 H -2.384 0.331 -1.970 1.00 . A A . 4 LEU HB3 1 1 14 3798 1 1 4 LEU HD11 H -4.137 3.385 -1.967 1.00 . A A . 4 LEU HD11 1 1 14 3799 1 1 4 LEU HD12 H -3.958 3.819 -3.668 1.00 . A A . 4 LEU HD12 1 1 14 3800 1 1 4 LEU HD13 H -2.541 3.754 -2.621 1.00 . A A . 4 LEU HD13 1 1 14 3801 1 1 4 LEU HD21 H -2.221 1.686 -5.042 1.00 . A A . 4 LEU HD21 1 1 14 3802 1 1 4 LEU HD22 H -1.524 0.760 -3.711 1.00 . A A . 4 LEU HD22 1 1 14 3803 1 1 4 LEU HD23 H -1.352 2.513 -3.752 1.00 . A A . 4 LEU HD23 1 1 14 3804 1 1 4 LEU HG H -4.132 1.500 -3.806 1.00 . A A . 4 LEU HG 1 1 14 3805 1 1 4 LEU N N -5.579 1.193 -1.619 1.00 . A A . 4 LEU N 1 1 14 3806 1 1 4 LEU O O -3.412 -1.034 -0.013 1.00 . A A . 4 LEU O 1 1 14 3807 1 1 5 GLU C C -4.646 -3.004 1.324 1.00 . A A . 5 GLU C 1 1 14 3808 1 1 5 GLU CA C -5.714 -1.896 1.246 1.00 . A A . 5 GLU CA 1 1 14 3809 1 1 5 GLU CB C -7.119 -2.517 1.210 1.00 . A A . 5 GLU CB 1 1 14 3810 1 1 5 GLU CD C -8.732 -3.845 -0.151 1.00 . A A . 5 GLU CD 1 1 14 3811 1 1 5 GLU CG C -7.344 -3.220 -0.130 1.00 . A A . 5 GLU CG 1 1 14 3812 1 1 5 GLU H H -6.447 -0.765 -0.441 1.00 . A A . 5 GLU H 1 1 14 3813 1 1 5 GLU HA H -5.636 -1.258 2.111 1.00 . A A . 5 GLU HA 1 1 14 3814 1 1 5 GLU HB2 H -7.217 -3.236 2.011 1.00 . A A . 5 GLU HB2 1 1 14 3815 1 1 5 GLU HB3 H -7.861 -1.742 1.336 1.00 . A A . 5 GLU HB3 1 1 14 3816 1 1 5 GLU HG2 H -7.263 -2.502 -0.931 1.00 . A A . 5 GLU HG2 1 1 14 3817 1 1 5 GLU HG3 H -6.605 -3.992 -0.262 1.00 . A A . 5 GLU HG3 1 1 14 3818 1 1 5 GLU N N -5.621 -1.066 -0.006 1.00 . A A . 5 GLU N 1 1 14 3819 1 1 5 GLU O O -4.147 -3.299 2.393 1.00 . A A . 5 GLU O 1 1 14 3820 1 1 5 GLU OE1 O -8.969 -4.743 0.637 1.00 . A A . 5 GLU OE1 1 1 14 3821 1 1 5 GLU OE2 O -9.538 -3.412 -0.950 1.00 . A A . 5 GLU OE2 1 1 14 3822 1 1 6 LYS C C -2.078 -4.441 -0.545 1.00 . A A . 6 LYS C 1 1 14 3823 1 1 6 LYS CA C -3.306 -4.742 0.297 1.00 . A A . 6 LYS CA 1 1 14 3824 1 1 6 LYS CB C -4.040 -5.965 -0.254 1.00 . A A . 6 LYS CB 1 1 14 3825 1 1 6 LYS CD C -6.187 -6.544 0.896 1.00 . A A . 6 LYS CD 1 1 14 3826 1 1 6 LYS CE C -6.666 -6.264 2.325 1.00 . A A . 6 LYS CE 1 1 14 3827 1 1 6 LYS CG C -4.668 -6.762 0.891 1.00 . A A . 6 LYS CG 1 1 14 3828 1 1 6 LYS H H -4.738 -3.418 -0.622 1.00 . A A . 6 LYS H 1 1 14 3829 1 1 6 LYS HA H -3.009 -4.911 1.313 1.00 . A A . 6 LYS HA 1 1 14 3830 1 1 6 LYS HB2 H -4.816 -5.638 -0.931 1.00 . A A . 6 LYS HB2 1 1 14 3831 1 1 6 LYS HB3 H -3.343 -6.588 -0.788 1.00 . A A . 6 LYS HB3 1 1 14 3832 1 1 6 LYS HD2 H -6.434 -5.702 0.267 1.00 . A A . 6 LYS HD2 1 1 14 3833 1 1 6 LYS HD3 H -6.681 -7.429 0.522 1.00 . A A . 6 LYS HD3 1 1 14 3834 1 1 6 LYS HE2 H -6.115 -5.434 2.749 1.00 . A A . 6 LYS HE2 1 1 14 3835 1 1 6 LYS HE3 H -7.725 -6.052 2.335 1.00 . A A . 6 LYS HE3 1 1 14 3836 1 1 6 LYS HG2 H -4.454 -7.813 0.755 1.00 . A A . 6 LYS HG2 1 1 14 3837 1 1 6 LYS HG3 H -4.253 -6.431 1.830 1.00 . A A . 6 LYS HG3 1 1 14 3838 1 1 6 LYS HZ1 H -6.982 -7.536 3.938 1.00 . A A . 6 LYS HZ1 1 1 14 3839 1 1 6 LYS HZ2 H -5.386 -7.547 3.357 1.00 . A A . 6 LYS HZ2 1 1 14 3840 1 1 6 LYS HZ3 H -6.612 -8.342 2.493 1.00 . A A . 6 LYS HZ3 1 1 14 3841 1 1 6 LYS N N -4.314 -3.642 0.230 1.00 . A A . 6 LYS N 1 1 14 3842 1 1 6 LYS NZ N -6.390 -7.516 3.084 1.00 . A A . 6 LYS NZ 1 1 14 3843 1 1 6 LYS O O -0.964 -4.513 -0.059 1.00 . A A . 6 LYS O 1 1 14 3844 1 1 7 LEU C C -0.152 -2.789 -2.000 1.00 . A A . 7 LEU C 1 1 14 3845 1 1 7 LEU CA C -1.068 -3.840 -2.658 1.00 . A A . 7 LEU CA 1 1 14 3846 1 1 7 LEU CB C -1.636 -3.342 -4.001 1.00 . A A . 7 LEU CB 1 1 14 3847 1 1 7 LEU CD1 C -0.459 -1.189 -4.535 1.00 . A A . 7 LEU CD1 1 1 14 3848 1 1 7 LEU CD2 C -2.914 -1.411 -4.937 1.00 . A A . 7 LEU CD2 1 1 14 3849 1 1 7 LEU CG C -1.760 -1.809 -4.017 1.00 . A A . 7 LEU CG 1 1 14 3850 1 1 7 LEU H H -3.158 -4.096 -2.173 1.00 . A A . 7 LEU H 1 1 14 3851 1 1 7 LEU HA H -0.515 -4.751 -2.822 1.00 . A A . 7 LEU HA 1 1 14 3852 1 1 7 LEU HB2 H -0.978 -3.652 -4.800 1.00 . A A . 7 LEU HB2 1 1 14 3853 1 1 7 LEU HB3 H -2.612 -3.779 -4.160 1.00 . A A . 7 LEU HB3 1 1 14 3854 1 1 7 LEU HD11 H 0.050 -0.686 -3.725 1.00 . A A . 7 LEU HD11 1 1 14 3855 1 1 7 LEU HD12 H -0.680 -0.476 -5.316 1.00 . A A . 7 LEU HD12 1 1 14 3856 1 1 7 LEU HD13 H 0.181 -1.966 -4.930 1.00 . A A . 7 LEU HD13 1 1 14 3857 1 1 7 LEU HD21 H -3.848 -1.710 -4.488 1.00 . A A . 7 LEU HD21 1 1 14 3858 1 1 7 LEU HD22 H -2.800 -1.907 -5.892 1.00 . A A . 7 LEU HD22 1 1 14 3859 1 1 7 LEU HD23 H -2.909 -0.342 -5.085 1.00 . A A . 7 LEU HD23 1 1 14 3860 1 1 7 LEU HG H -1.953 -1.451 -3.015 1.00 . A A . 7 LEU HG 1 1 14 3861 1 1 7 LEU N N -2.253 -4.127 -1.798 1.00 . A A . 7 LEU N 1 1 14 3862 1 1 7 LEU O O 0.992 -2.643 -2.383 1.00 . A A . 7 LEU O 1 1 14 3863 1 1 8 MET C C 1.239 -1.753 0.582 1.00 . A A . 8 MET C 1 1 14 3864 1 1 8 MET CA C 0.252 -1.055 -0.353 1.00 . A A . 8 MET CA 1 1 14 3865 1 1 8 MET CB C -0.683 -0.089 0.398 1.00 . A A . 8 MET CB 1 1 14 3866 1 1 8 MET CE C -2.972 -0.566 3.721 1.00 . A A . 8 MET CE 1 1 14 3867 1 1 8 MET CG C -1.094 -0.659 1.765 1.00 . A A . 8 MET CG 1 1 14 3868 1 1 8 MET H H -1.549 -2.203 -0.682 1.00 . A A . 8 MET H 1 1 14 3869 1 1 8 MET HA H 0.801 -0.514 -1.114 1.00 . A A . 8 MET HA 1 1 14 3870 1 1 8 MET HB2 H -0.178 0.851 0.542 1.00 . A A . 8 MET HB2 1 1 14 3871 1 1 8 MET HB3 H -1.567 0.073 -0.197 1.00 . A A . 8 MET HB3 1 1 14 3872 1 1 8 MET HE1 H -2.477 -0.664 4.676 1.00 . A A . 8 MET HE1 1 1 14 3873 1 1 8 MET HE2 H -3.025 -1.531 3.234 1.00 . A A . 8 MET HE2 1 1 14 3874 1 1 8 MET HE3 H -3.970 -0.188 3.878 1.00 . A A . 8 MET HE3 1 1 14 3875 1 1 8 MET HG2 H -1.707 -1.537 1.622 1.00 . A A . 8 MET HG2 1 1 14 3876 1 1 8 MET HG3 H -0.214 -0.920 2.334 1.00 . A A . 8 MET HG3 1 1 14 3877 1 1 8 MET N N -0.629 -2.067 -1.005 1.00 . A A . 8 MET N 1 1 14 3878 1 1 8 MET O O 2.419 -1.484 0.536 1.00 . A A . 8 MET O 1 1 14 3879 1 1 8 MET SD S -2.041 0.583 2.675 1.00 . A A . 8 MET SD 1 1 14 3880 1 1 9 LYS C C 2.625 -4.250 1.391 1.00 . A A . 9 LYS C 1 1 14 3881 1 1 9 LYS CA C 1.741 -3.393 2.281 1.00 . A A . 9 LYS CA 1 1 14 3882 1 1 9 LYS CB C 0.889 -4.237 3.231 1.00 . A A . 9 LYS CB 1 1 14 3883 1 1 9 LYS CD C 1.279 -2.912 5.321 1.00 . A A . 9 LYS CD 1 1 14 3884 1 1 9 LYS CE C 2.588 -2.343 5.886 1.00 . A A . 9 LYS CE 1 1 14 3885 1 1 9 LYS CG C 1.542 -4.254 4.619 1.00 . A A . 9 LYS CG 1 1 14 3886 1 1 9 LYS H H -0.166 -2.923 1.407 1.00 . A A . 9 LYS H 1 1 14 3887 1 1 9 LYS HA H 2.341 -2.692 2.830 1.00 . A A . 9 LYS HA 1 1 14 3888 1 1 9 LYS HB2 H -0.101 -3.807 3.306 1.00 . A A . 9 LYS HB2 1 1 14 3889 1 1 9 LYS HB3 H 0.814 -5.243 2.849 1.00 . A A . 9 LYS HB3 1 1 14 3890 1 1 9 LYS HD2 H 0.863 -2.208 4.614 1.00 . A A . 9 LYS HD2 1 1 14 3891 1 1 9 LYS HD3 H 0.574 -3.060 6.129 1.00 . A A . 9 LYS HD3 1 1 14 3892 1 1 9 LYS HE2 H 3.370 -2.380 5.140 1.00 . A A . 9 LYS HE2 1 1 14 3893 1 1 9 LYS HE3 H 2.440 -1.329 6.225 1.00 . A A . 9 LYS HE3 1 1 14 3894 1 1 9 LYS HG2 H 1.119 -5.060 5.202 1.00 . A A . 9 LYS HG2 1 1 14 3895 1 1 9 LYS HG3 H 2.607 -4.405 4.518 1.00 . A A . 9 LYS HG3 1 1 14 3896 1 1 9 LYS HZ1 H 2.121 -3.282 7.686 1.00 . A A . 9 LYS HZ1 1 1 14 3897 1 1 9 LYS HZ2 H 3.736 -2.807 7.551 1.00 . A A . 9 LYS HZ2 1 1 14 3898 1 1 9 LYS HZ3 H 3.185 -4.161 6.695 1.00 . A A . 9 LYS HZ3 1 1 14 3899 1 1 9 LYS N N 0.786 -2.678 1.401 1.00 . A A . 9 LYS N 1 1 14 3900 1 1 9 LYS NZ N 2.933 -3.215 7.040 1.00 . A A . 9 LYS NZ 1 1 14 3901 1 1 9 LYS O O 3.813 -4.360 1.604 1.00 . A A . 9 LYS O 1 1 14 3902 1 1 10 ALA C C 3.955 -4.739 -1.113 1.00 . A A . 10 ALA C 1 1 14 3903 1 1 10 ALA CA C 2.836 -5.594 -0.629 1.00 . A A . 10 ALA CA 1 1 14 3904 1 1 10 ALA CB C 1.913 -5.758 -1.835 1.00 . A A . 10 ALA CB 1 1 14 3905 1 1 10 ALA H H 1.093 -4.640 0.198 1.00 . A A . 10 ALA H 1 1 14 3906 1 1 10 ALA HA H 3.177 -6.538 -0.238 1.00 . A A . 10 ALA HA 1 1 14 3907 1 1 10 ALA HB1 H 1.472 -6.725 -1.833 1.00 . A A . 10 ALA HB1 1 1 14 3908 1 1 10 ALA HB2 H 2.497 -5.612 -2.744 1.00 . A A . 10 ALA HB2 1 1 14 3909 1 1 10 ALA HB3 H 1.145 -4.995 -1.797 1.00 . A A . 10 ALA HB3 1 1 14 3910 1 1 10 ALA N N 2.047 -4.798 0.355 1.00 . A A . 10 ALA N 1 1 14 3911 1 1 10 ALA O O 5.130 -5.023 -0.962 1.00 . A A . 10 ALA O 1 1 14 3912 1 1 11 PHE C C 5.415 -2.220 -1.287 1.00 . A A . 11 PHE C 1 1 14 3913 1 1 11 PHE CA C 4.470 -2.753 -2.311 1.00 . A A . 11 PHE CA 1 1 14 3914 1 1 11 PHE CB C 3.622 -1.620 -2.786 1.00 . A A . 11 PHE CB 1 1 14 3915 1 1 11 PHE CD1 C 5.038 -0.795 -4.622 1.00 . A A . 11 PHE CD1 1 1 14 3916 1 1 11 PHE CD2 C 4.988 0.429 -2.541 1.00 . A A . 11 PHE CD2 1 1 14 3917 1 1 11 PHE CE1 C 5.947 0.127 -5.155 1.00 . A A . 11 PHE CE1 1 1 14 3918 1 1 11 PHE CE2 C 5.893 1.363 -3.061 1.00 . A A . 11 PHE CE2 1 1 14 3919 1 1 11 PHE CG C 4.569 -0.629 -3.335 1.00 . A A . 11 PHE CG 1 1 14 3920 1 1 11 PHE CZ C 6.371 1.215 -4.375 1.00 . A A . 11 PHE CZ 1 1 14 3921 1 1 11 PHE H H 2.579 -3.537 -1.839 1.00 . A A . 11 PHE H 1 1 14 3922 1 1 11 PHE HA H 4.999 -3.184 -3.134 1.00 . A A . 11 PHE HA 1 1 14 3923 1 1 11 PHE HB2 H 2.931 -1.959 -3.540 1.00 . A A . 11 PHE HB2 1 1 14 3924 1 1 11 PHE HB3 H 3.083 -1.189 -1.957 1.00 . A A . 11 PHE HB3 1 1 14 3925 1 1 11 PHE HD1 H 4.714 -1.668 -5.195 1.00 . A A . 11 PHE HD1 1 1 14 3926 1 1 11 PHE HD2 H 4.621 0.504 -1.515 1.00 . A A . 11 PHE HD2 1 1 14 3927 1 1 11 PHE HE1 H 6.311 0.012 -6.164 1.00 . A A . 11 PHE HE1 1 1 14 3928 1 1 11 PHE HE2 H 6.227 2.189 -2.454 1.00 . A A . 11 PHE HE2 1 1 14 3929 1 1 11 PHE HZ H 7.070 1.931 -4.780 1.00 . A A . 11 PHE HZ 1 1 14 3930 1 1 11 PHE N N 3.545 -3.692 -1.736 1.00 . A A . 11 PHE N 1 1 14 3931 1 1 11 PHE O O 6.599 -2.311 -1.436 1.00 . A A . 11 PHE O 1 1 14 3932 1 1 12 GLU C C 6.837 -2.119 1.134 1.00 . A A . 12 GLU C 1 1 14 3933 1 1 12 GLU CA C 5.827 -1.033 0.724 1.00 . A A . 12 GLU CA 1 1 14 3934 1 1 12 GLU CB C 4.949 -0.592 1.893 1.00 . A A . 12 GLU CB 1 1 14 3935 1 1 12 GLU CD C 5.386 1.845 2.154 1.00 . A A . 12 GLU CD 1 1 14 3936 1 1 12 GLU CG C 4.402 0.811 1.619 1.00 . A A . 12 GLU CG 1 1 14 3937 1 1 12 GLU H H 3.939 -1.509 -0.182 1.00 . A A . 12 GLU H 1 1 14 3938 1 1 12 GLU HA H 6.320 -0.183 0.266 1.00 . A A . 12 GLU HA 1 1 14 3939 1 1 12 GLU HB2 H 4.129 -1.285 2.011 1.00 . A A . 12 GLU HB2 1 1 14 3940 1 1 12 GLU HB3 H 5.536 -0.577 2.794 1.00 . A A . 12 GLU HB3 1 1 14 3941 1 1 12 GLU HG2 H 4.267 0.947 0.556 1.00 . A A . 12 GLU HG2 1 1 14 3942 1 1 12 GLU HG3 H 3.453 0.931 2.120 1.00 . A A . 12 GLU HG3 1 1 14 3943 1 1 12 GLU N N 4.909 -1.611 -0.268 1.00 . A A . 12 GLU N 1 1 14 3944 1 1 12 GLU O O 8.034 -1.889 1.175 1.00 . A A . 12 GLU O 1 1 14 3945 1 1 12 GLU OE1 O 5.394 2.065 3.350 1.00 . A A . 12 GLU OE1 1 1 14 3946 1 1 12 GLU OE2 O 6.127 2.395 1.359 1.00 . A A . 12 GLU OE2 1 1 14 3947 1 1 13 SER C C 8.277 -4.665 0.549 1.00 . A A . 13 SER C 1 1 14 3948 1 1 13 SER CA C 7.280 -4.458 1.706 1.00 . A A . 13 SER CA 1 1 14 3949 1 1 13 SER CB C 6.360 -5.676 1.851 1.00 . A A . 13 SER CB 1 1 14 3950 1 1 13 SER H H 5.393 -3.484 1.291 1.00 . A A . 13 SER H 1 1 14 3951 1 1 13 SER HA H 7.807 -4.268 2.625 1.00 . A A . 13 SER HA 1 1 14 3952 1 1 13 SER HB2 H 5.714 -5.748 0.985 1.00 . A A . 13 SER HB2 1 1 14 3953 1 1 13 SER HB3 H 6.952 -6.576 1.927 1.00 . A A . 13 SER HB3 1 1 14 3954 1 1 13 SER HG H 4.700 -5.164 2.724 1.00 . A A . 13 SER HG 1 1 14 3955 1 1 13 SER N N 6.360 -3.322 1.372 1.00 . A A . 13 SER N 1 1 14 3956 1 1 13 SER O O 9.356 -5.192 0.726 1.00 . A A . 13 SER O 1 1 14 3957 1 1 13 SER OG O 5.554 -5.519 3.014 1.00 . A A . 13 SER OG 1 1 14 3958 1 1 14 LEU C C 9.582 -3.030 -1.943 1.00 . A A . 14 LEU C 1 1 14 3959 1 1 14 LEU CA C 8.780 -4.330 -1.830 1.00 . A A . 14 LEU CA 1 1 14 3960 1 1 14 LEU CB C 7.769 -4.579 -2.986 1.00 . A A . 14 LEU CB 1 1 14 3961 1 1 14 LEU CD1 C 7.989 -2.384 -4.138 1.00 . A A . 14 LEU CD1 1 1 14 3962 1 1 14 LEU CD2 C 9.567 -4.211 -4.747 1.00 . A A . 14 LEU CD2 1 1 14 3963 1 1 14 LEU CG C 8.136 -3.882 -4.309 1.00 . A A . 14 LEU CG 1 1 14 3964 1 1 14 LEU H H 7.039 -3.787 -0.713 1.00 . A A . 14 LEU H 1 1 14 3965 1 1 14 LEU HA H 9.447 -5.152 -1.725 1.00 . A A . 14 LEU HA 1 1 14 3966 1 1 14 LEU HB2 H 7.694 -5.638 -3.164 1.00 . A A . 14 LEU HB2 1 1 14 3967 1 1 14 LEU HB3 H 6.800 -4.215 -2.668 1.00 . A A . 14 LEU HB3 1 1 14 3968 1 1 14 LEU HD11 H 7.513 -1.968 -5.007 1.00 . A A . 14 LEU HD11 1 1 14 3969 1 1 14 LEU HD12 H 8.964 -1.940 -4.005 1.00 . A A . 14 LEU HD12 1 1 14 3970 1 1 14 LEU HD13 H 7.384 -2.185 -3.268 1.00 . A A . 14 LEU HD13 1 1 14 3971 1 1 14 LEU HD21 H 9.821 -3.628 -5.621 1.00 . A A . 14 LEU HD21 1 1 14 3972 1 1 14 LEU HD22 H 9.641 -5.263 -4.987 1.00 . A A . 14 LEU HD22 1 1 14 3973 1 1 14 LEU HD23 H 10.256 -3.975 -3.953 1.00 . A A . 14 LEU HD23 1 1 14 3974 1 1 14 LEU HG H 7.446 -4.214 -5.074 1.00 . A A . 14 LEU HG 1 1 14 3975 1 1 14 LEU N N 7.907 -4.223 -0.626 1.00 . A A . 14 LEU N 1 1 14 3976 1 1 14 LEU O O 10.762 -3.036 -2.235 1.00 . A A . 14 LEU O 1 1 14 3977 1 1 15 LYS C C 10.893 -0.831 -0.738 1.00 . A A . 15 LYS C 1 1 14 3978 1 1 15 LYS CA C 9.651 -0.631 -1.593 1.00 . A A . 15 LYS CA 1 1 14 3979 1 1 15 LYS CB C 8.601 0.255 -0.916 1.00 . A A . 15 LYS CB 1 1 14 3980 1 1 15 LYS CD C 9.863 2.311 -0.232 1.00 . A A . 15 LYS CD 1 1 14 3981 1 1 15 LYS CE C 8.829 3.451 -0.310 1.00 . A A . 15 LYS CE 1 1 14 3982 1 1 15 LYS CG C 9.179 1.026 0.260 1.00 . A A . 15 LYS CG 1 1 14 3983 1 1 15 LYS H H 8.031 -1.978 -1.310 1.00 . A A . 15 LYS H 1 1 14 3984 1 1 15 LYS HA H 9.885 -0.284 -2.587 1.00 . A A . 15 LYS HA 1 1 14 3985 1 1 15 LYS HB2 H 8.209 0.932 -1.624 1.00 . A A . 15 LYS HB2 1 1 14 3986 1 1 15 LYS HB3 H 7.798 -0.374 -0.554 1.00 . A A . 15 LYS HB3 1 1 14 3987 1 1 15 LYS HD2 H 10.661 2.582 0.449 1.00 . A A . 15 LYS HD2 1 1 14 3988 1 1 15 LYS HD3 H 10.279 2.144 -1.216 1.00 . A A . 15 LYS HD3 1 1 14 3989 1 1 15 LYS HE2 H 9.287 4.351 -0.698 1.00 . A A . 15 LYS HE2 1 1 14 3990 1 1 15 LYS HE3 H 7.997 3.159 -0.933 1.00 . A A . 15 LYS HE3 1 1 14 3991 1 1 15 LYS HG2 H 8.375 1.279 0.929 1.00 . A A . 15 LYS HG2 1 1 14 3992 1 1 15 LYS HG3 H 9.889 0.403 0.772 1.00 . A A . 15 LYS HG3 1 1 14 3993 1 1 15 LYS HZ1 H 7.443 3.175 1.235 1.00 . A A . 15 LYS HZ1 1 1 14 3994 1 1 15 LYS HZ2 H 8.214 4.693 1.253 1.00 . A A . 15 LYS HZ2 1 1 14 3995 1 1 15 LYS HZ3 H 9.054 3.314 1.769 1.00 . A A . 15 LYS HZ3 1 1 14 3996 1 1 15 LYS N N 8.961 -1.933 -1.614 1.00 . A A . 15 LYS N 1 1 14 3997 1 1 15 LYS NZ N 8.355 3.674 1.092 1.00 . A A . 15 LYS NZ 1 1 14 3998 1 1 15 LYS O O 11.990 -0.429 -1.072 1.00 . A A . 15 LYS O 1 1 14 3999 1 1 16 SER C C 13.060 -2.196 0.590 1.00 . A A . 16 SER C 1 1 14 4000 1 1 16 SER CA C 11.758 -1.849 1.319 1.00 . A A . 16 SER CA 1 1 14 4001 1 1 16 SER CB C 11.203 -3.091 2.028 1.00 . A A . 16 SER CB 1 1 14 4002 1 1 16 SER H H 9.753 -1.791 0.537 1.00 . A A . 16 SER H 1 1 14 4003 1 1 16 SER HA H 11.917 -1.059 2.023 1.00 . A A . 16 SER HA 1 1 14 4004 1 1 16 SER HB2 H 10.366 -3.481 1.464 1.00 . A A . 16 SER HB2 1 1 14 4005 1 1 16 SER HB3 H 11.969 -3.853 2.086 1.00 . A A . 16 SER HB3 1 1 14 4006 1 1 16 SER HG H 9.804 -2.640 3.298 1.00 . A A . 16 SER HG 1 1 14 4007 1 1 16 SER N N 10.674 -1.499 0.355 1.00 . A A . 16 SER N 1 1 14 4008 1 1 16 SER O O 14.099 -1.589 0.811 1.00 . A A . 16 SER O 1 1 14 4009 1 1 16 SER OG O 10.763 -2.729 3.328 1.00 . A A . 16 SER OG 1 1 14 4010 1 1 17 PHE C C 14.203 -3.008 -2.446 1.00 . A A . 17 PHE C 1 1 14 4011 1 1 17 PHE CA C 14.220 -3.581 -1.014 1.00 . A A . 17 PHE CA 1 1 14 4012 1 1 17 PHE CB C 14.171 -5.119 -1.018 1.00 . A A . 17 PHE CB 1 1 14 4013 1 1 17 PHE CD1 C 12.650 -5.510 -2.979 1.00 . A A . 17 PHE CD1 1 1 14 4014 1 1 17 PHE CD2 C 11.930 -6.227 -0.786 1.00 . A A . 17 PHE CD2 1 1 14 4015 1 1 17 PHE CE1 C 11.466 -5.991 -3.532 1.00 . A A . 17 PHE CE1 1 1 14 4016 1 1 17 PHE CE2 C 10.741 -6.706 -1.333 1.00 . A A . 17 PHE CE2 1 1 14 4017 1 1 17 PHE CG C 12.884 -5.629 -1.610 1.00 . A A . 17 PHE CG 1 1 14 4018 1 1 17 PHE CZ C 10.508 -6.588 -2.710 1.00 . A A . 17 PHE CZ 1 1 14 4019 1 1 17 PHE H H 12.165 -3.631 -0.414 1.00 . A A . 17 PHE H 1 1 14 4020 1 1 17 PHE HA H 15.103 -3.250 -0.488 1.00 . A A . 17 PHE HA 1 1 14 4021 1 1 17 PHE HB2 H 14.982 -5.492 -1.598 1.00 . A A . 17 PHE HB2 1 1 14 4022 1 1 17 PHE HB3 H 14.253 -5.477 -0.005 1.00 . A A . 17 PHE HB3 1 1 14 4023 1 1 17 PHE HD1 H 13.390 -5.047 -3.612 1.00 . A A . 17 PHE HD1 1 1 14 4024 1 1 17 PHE HD2 H 12.112 -6.318 0.275 1.00 . A A . 17 PHE HD2 1 1 14 4025 1 1 17 PHE HE1 H 11.283 -5.879 -4.588 1.00 . A A . 17 PHE HE1 1 1 14 4026 1 1 17 PHE HE2 H 9.992 -7.146 -0.691 1.00 . A A . 17 PHE HE2 1 1 14 4027 1 1 17 PHE HZ H 9.586 -6.963 -3.138 1.00 . A A . 17 PHE HZ 1 1 14 4028 1 1 17 PHE N N 13.007 -3.167 -0.267 1.00 . A A . 17 PHE N 1 1 14 4029 1 1 17 PHE O O 14.840 -3.540 -3.335 1.00 . A A . 17 PHE O 1 1 14 4030 1 1 18 NH2 HN1 H 12.969 -1.507 -2.010 1.00 . A A . 18 NH2 HN1 1 1 14 4031 1 1 18 NH2 HN2 H 13.455 -1.602 -3.632 1.00 . A A . 18 NH2 HN2 1 1 14 4032 1 1 18 NH2 N N 13.487 -1.950 -2.718 1.00 . A A . 18 NH2 N 1 1 15 4033 1 1 1 MET C C -11.707 -5.638 1.563 1.00 . A A . 1 MET C 1 1 15 4034 1 1 1 MET CA C -13.177 -5.975 1.301 1.00 . A A . 1 MET CA 1 1 15 4035 1 1 1 MET CB C -13.768 -5.015 0.253 1.00 . A A . 1 MET CB 1 1 15 4036 1 1 1 MET CE C -12.943 -5.328 -3.536 1.00 . A A . 1 MET CE 1 1 15 4037 1 1 1 MET CG C -13.999 -5.763 -1.064 1.00 . A A . 1 MET CG 1 1 15 4038 1 1 1 MET H1 H -13.651 -4.895 3.020 1.00 . A A . 1 MET H1 1 1 15 4039 1 1 1 MET H2 H -13.826 -6.573 3.181 1.00 . A A . 1 MET H2 1 1 15 4040 1 1 1 MET H3 H -14.975 -5.683 2.316 1.00 . A A . 1 MET H3 1 1 15 4041 1 1 1 MET HA H -13.277 -6.996 0.969 1.00 . A A . 1 MET HA 1 1 15 4042 1 1 1 MET HB2 H -14.707 -4.618 0.609 1.00 . A A . 1 MET HB2 1 1 15 4043 1 1 1 MET HB3 H -13.080 -4.201 0.082 1.00 . A A . 1 MET HB3 1 1 15 4044 1 1 1 MET HE1 H -11.951 -5.263 -3.108 1.00 . A A . 1 MET HE1 1 1 15 4045 1 1 1 MET HE2 H -12.964 -4.815 -4.489 1.00 . A A . 1 MET HE2 1 1 15 4046 1 1 1 MET HE3 H -13.198 -6.366 -3.689 1.00 . A A . 1 MET HE3 1 1 15 4047 1 1 1 MET HG2 H -13.166 -6.427 -1.251 1.00 . A A . 1 MET HG2 1 1 15 4048 1 1 1 MET HG3 H -14.909 -6.342 -0.997 1.00 . A A . 1 MET HG3 1 1 15 4049 1 1 1 MET N N -13.969 -5.763 2.548 1.00 . A A . 1 MET N 1 1 15 4050 1 1 1 MET O O -11.375 -5.007 2.555 1.00 . A A . 1 MET O 1 1 15 4051 1 1 1 MET SD S -14.143 -4.561 -2.412 1.00 . A A . 1 MET SD 1 1 15 4052 1 1 2 ALA C C -8.597 -6.027 -0.409 1.00 . A A . 2 ALA C 1 1 15 4053 1 1 2 ALA CA C -9.379 -5.754 0.883 1.00 . A A . 2 ALA CA 1 1 15 4054 1 1 2 ALA CB C -8.919 -6.703 1.991 1.00 . A A . 2 ALA CB 1 1 15 4055 1 1 2 ALA H H -11.123 -6.554 -0.101 1.00 . A A . 2 ALA H 1 1 15 4056 1 1 2 ALA HA H -9.246 -4.734 1.199 1.00 . A A . 2 ALA HA 1 1 15 4057 1 1 2 ALA HB1 H -9.152 -7.719 1.711 1.00 . A A . 2 ALA HB1 1 1 15 4058 1 1 2 ALA HB2 H -9.425 -6.457 2.913 1.00 . A A . 2 ALA HB2 1 1 15 4059 1 1 2 ALA HB3 H -7.854 -6.604 2.125 1.00 . A A . 2 ALA HB3 1 1 15 4060 1 1 2 ALA N N -10.827 -6.051 0.688 1.00 . A A . 2 ALA N 1 1 15 4061 1 1 2 ALA O O -8.070 -7.106 -0.609 1.00 . A A . 2 ALA O 1 1 15 4062 1 1 3 THR C C -6.632 -4.219 -2.639 1.00 . A A . 3 THR C 1 1 15 4063 1 1 3 THR CA C -7.760 -5.255 -2.547 1.00 . A A . 3 THR CA 1 1 15 4064 1 1 3 THR CB C -8.793 -5.052 -3.661 1.00 . A A . 3 THR CB 1 1 15 4065 1 1 3 THR CG2 C -9.447 -6.389 -4.000 1.00 . A A . 3 THR CG2 1 1 15 4066 1 1 3 THR H H -8.941 -4.197 -1.104 1.00 . A A . 3 THR H 1 1 15 4067 1 1 3 THR HA H -7.355 -6.253 -2.596 1.00 . A A . 3 THR HA 1 1 15 4068 1 1 3 THR HB H -8.301 -4.665 -4.538 1.00 . A A . 3 THR HB 1 1 15 4069 1 1 3 THR HG1 H -9.967 -3.531 -3.967 1.00 . A A . 3 THR HG1 1 1 15 4070 1 1 3 THR HG21 H -8.784 -6.967 -4.626 1.00 . A A . 3 THR HG21 1 1 15 4071 1 1 3 THR HG22 H -10.373 -6.212 -4.521 1.00 . A A . 3 THR HG22 1 1 15 4072 1 1 3 THR HG23 H -9.647 -6.935 -3.089 1.00 . A A . 3 THR HG23 1 1 15 4073 1 1 3 THR N N -8.513 -5.062 -1.281 1.00 . A A . 3 THR N 1 1 15 4074 1 1 3 THR O O -5.465 -4.551 -2.521 1.00 . A A . 3 THR O 1 1 15 4075 1 1 3 THR OG1 O -9.794 -4.133 -3.236 1.00 . A A . 3 THR OG1 1 1 15 4076 1 1 4 LEU C C -5.211 -1.750 -1.564 1.00 . A A . 4 LEU C 1 1 15 4077 1 1 4 LEU CA C -5.907 -1.914 -2.913 1.00 . A A . 4 LEU CA 1 1 15 4078 1 1 4 LEU CB C -6.636 -0.628 -3.318 1.00 . A A . 4 LEU CB 1 1 15 4079 1 1 4 LEU CD1 C -7.108 0.813 -1.322 1.00 . A A . 4 LEU CD1 1 1 15 4080 1 1 4 LEU CD2 C -8.913 0.353 -2.975 1.00 . A A . 4 LEU CD2 1 1 15 4081 1 1 4 LEU CG C -7.690 -0.235 -2.272 1.00 . A A . 4 LEU CG 1 1 15 4082 1 1 4 LEU H H -7.907 -2.709 -2.907 1.00 . A A . 4 LEU H 1 1 15 4083 1 1 4 LEU HA H -5.185 -2.176 -3.670 1.00 . A A . 4 LEU HA 1 1 15 4084 1 1 4 LEU HB2 H -5.915 0.167 -3.412 1.00 . A A . 4 LEU HB2 1 1 15 4085 1 1 4 LEU HB3 H -7.119 -0.788 -4.264 1.00 . A A . 4 LEU HB3 1 1 15 4086 1 1 4 LEU HD11 H -6.971 1.739 -1.856 1.00 . A A . 4 LEU HD11 1 1 15 4087 1 1 4 LEU HD12 H -6.157 0.469 -0.944 1.00 . A A . 4 LEU HD12 1 1 15 4088 1 1 4 LEU HD13 H -7.789 0.970 -0.495 1.00 . A A . 4 LEU HD13 1 1 15 4089 1 1 4 LEU HD21 H -8.852 0.157 -4.036 1.00 . A A . 4 LEU HD21 1 1 15 4090 1 1 4 LEU HD22 H -8.941 1.417 -2.808 1.00 . A A . 4 LEU HD22 1 1 15 4091 1 1 4 LEU HD23 H -9.810 -0.097 -2.575 1.00 . A A . 4 LEU HD23 1 1 15 4092 1 1 4 LEU HG H -7.987 -1.105 -1.709 1.00 . A A . 4 LEU HG 1 1 15 4093 1 1 4 LEU N N -6.966 -2.964 -2.829 1.00 . A A . 4 LEU N 1 1 15 4094 1 1 4 LEU O O -4.011 -1.567 -1.502 1.00 . A A . 4 LEU O 1 1 15 4095 1 1 5 GLU C C -4.235 -2.797 1.028 1.00 . A A . 5 GLU C 1 1 15 4096 1 1 5 GLU CA C -5.293 -1.699 0.859 1.00 . A A . 5 GLU CA 1 1 15 4097 1 1 5 GLU CB C -6.415 -1.863 1.899 1.00 . A A . 5 GLU CB 1 1 15 4098 1 1 5 GLU CD C -8.628 -2.570 0.980 1.00 . A A . 5 GLU CD 1 1 15 4099 1 1 5 GLU CG C -7.301 -3.064 1.547 1.00 . A A . 5 GLU CG 1 1 15 4100 1 1 5 GLU H H -6.903 -1.996 -0.554 1.00 . A A . 5 GLU H 1 1 15 4101 1 1 5 GLU HA H -4.840 -0.726 0.954 1.00 . A A . 5 GLU HA 1 1 15 4102 1 1 5 GLU HB2 H -5.973 -2.021 2.875 1.00 . A A . 5 GLU HB2 1 1 15 4103 1 1 5 GLU HB3 H -7.020 -0.970 1.923 1.00 . A A . 5 GLU HB3 1 1 15 4104 1 1 5 GLU HG2 H -6.802 -3.677 0.811 1.00 . A A . 5 GLU HG2 1 1 15 4105 1 1 5 GLU HG3 H -7.488 -3.648 2.435 1.00 . A A . 5 GLU HG3 1 1 15 4106 1 1 5 GLU N N -5.939 -1.832 -0.482 1.00 . A A . 5 GLU N 1 1 15 4107 1 1 5 GLU O O -3.334 -2.688 1.837 1.00 . A A . 5 GLU O 1 1 15 4108 1 1 5 GLU OE1 O -9.485 -2.204 1.757 1.00 . A A . 5 GLU OE1 1 1 15 4109 1 1 5 GLU OE2 O -8.763 -2.569 -0.230 1.00 . A A . 5 GLU OE2 1 1 15 4110 1 1 6 LYS C C -2.109 -4.610 -0.512 1.00 . A A . 6 LYS C 1 1 15 4111 1 1 6 LYS CA C -3.322 -4.947 0.351 1.00 . A A . 6 LYS CA 1 1 15 4112 1 1 6 LYS CB C -4.022 -6.202 -0.173 1.00 . A A . 6 LYS CB 1 1 15 4113 1 1 6 LYS CD C -2.783 -8.360 0.157 1.00 . A A . 6 LYS CD 1 1 15 4114 1 1 6 LYS CE C -3.224 -9.801 0.451 1.00 . A A . 6 LYS CE 1 1 15 4115 1 1 6 LYS CG C -3.779 -7.381 0.779 1.00 . A A . 6 LYS CG 1 1 15 4116 1 1 6 LYS H H -5.053 -3.903 -0.413 1.00 . A A . 6 LYS H 1 1 15 4117 1 1 6 LYS HA H -3.022 -5.080 1.375 1.00 . A A . 6 LYS HA 1 1 15 4118 1 1 6 LYS HB2 H -5.084 -6.012 -0.246 1.00 . A A . 6 LYS HB2 1 1 15 4119 1 1 6 LYS HB3 H -3.634 -6.441 -1.151 1.00 . A A . 6 LYS HB3 1 1 15 4120 1 1 6 LYS HD2 H -2.740 -8.200 -0.913 1.00 . A A . 6 LYS HD2 1 1 15 4121 1 1 6 LYS HD3 H -1.804 -8.193 0.582 1.00 . A A . 6 LYS HD3 1 1 15 4122 1 1 6 LYS HE2 H -2.615 -10.222 1.240 1.00 . A A . 6 LYS HE2 1 1 15 4123 1 1 6 LYS HE3 H -4.268 -9.826 0.727 1.00 . A A . 6 LYS HE3 1 1 15 4124 1 1 6 LYS HG2 H -3.380 -7.015 1.712 1.00 . A A . 6 LYS HG2 1 1 15 4125 1 1 6 LYS HG3 H -4.714 -7.891 0.963 1.00 . A A . 6 LYS HG3 1 1 15 4126 1 1 6 LYS HZ1 H -3.433 -11.493 -0.732 1.00 . A A . 6 LYS HZ1 1 1 15 4127 1 1 6 LYS HZ2 H -1.997 -10.643 -0.994 1.00 . A A . 6 LYS HZ2 1 1 15 4128 1 1 6 LYS HZ3 H -3.461 -10.039 -1.602 1.00 . A A . 6 LYS HZ3 1 1 15 4129 1 1 6 LYS N N -4.329 -3.848 0.249 1.00 . A A . 6 LYS N 1 1 15 4130 1 1 6 LYS NZ N -3.013 -10.548 -0.815 1.00 . A A . 6 LYS NZ 1 1 15 4131 1 1 6 LYS O O -0.984 -4.928 -0.164 1.00 . A A . 6 LYS O 1 1 15 4132 1 1 7 LEU C C -0.242 -2.623 -1.708 1.00 . A A . 7 LEU C 1 1 15 4133 1 1 7 LEU CA C -1.178 -3.563 -2.493 1.00 . A A . 7 LEU CA 1 1 15 4134 1 1 7 LEU CB C -1.800 -2.864 -3.721 1.00 . A A . 7 LEU CB 1 1 15 4135 1 1 7 LEU CD1 C -0.520 -0.736 -4.053 1.00 . A A . 7 LEU CD1 1 1 15 4136 1 1 7 LEU CD2 C -3.005 -0.747 -4.310 1.00 . A A . 7 LEU CD2 1 1 15 4137 1 1 7 LEU CG C -1.827 -1.343 -3.531 1.00 . A A . 7 LEU CG 1 1 15 4138 1 1 7 LEU H H -3.237 -3.698 -1.871 1.00 . A A . 7 LEU H 1 1 15 4139 1 1 7 LEU HA H -0.642 -4.443 -2.807 1.00 . A A . 7 LEU HA 1 1 15 4140 1 1 7 LEU HB2 H -1.215 -3.102 -4.598 1.00 . A A . 7 LEU HB2 1 1 15 4141 1 1 7 LEU HB3 H -2.811 -3.225 -3.863 1.00 . A A . 7 LEU HB3 1 1 15 4142 1 1 7 LEU HD11 H -0.733 -0.055 -4.863 1.00 . A A . 7 LEU HD11 1 1 15 4143 1 1 7 LEU HD12 H 0.128 -1.523 -4.408 1.00 . A A . 7 LEU HD12 1 1 15 4144 1 1 7 LEU HD13 H -0.029 -0.201 -3.257 1.00 . A A . 7 LEU HD13 1 1 15 4145 1 1 7 LEU HD21 H -3.652 -0.219 -3.627 1.00 . A A . 7 LEU HD21 1 1 15 4146 1 1 7 LEU HD22 H -3.557 -1.540 -4.790 1.00 . A A . 7 LEU HD22 1 1 15 4147 1 1 7 LEU HD23 H -2.635 -0.062 -5.055 1.00 . A A . 7 LEU HD23 1 1 15 4148 1 1 7 LEU HG H -1.935 -1.115 -2.480 1.00 . A A . 7 LEU HG 1 1 15 4149 1 1 7 LEU N N -2.323 -3.951 -1.623 1.00 . A A . 7 LEU N 1 1 15 4150 1 1 7 LEU O O 0.896 -2.423 -2.078 1.00 . A A . 7 LEU O 1 1 15 4151 1 1 8 MET C C 1.205 -2.003 0.923 1.00 . A A . 8 MET C 1 1 15 4152 1 1 8 MET CA C 0.163 -1.160 0.195 1.00 . A A . 8 MET CA 1 1 15 4153 1 1 8 MET CB C -0.764 -0.464 1.196 1.00 . A A . 8 MET CB 1 1 15 4154 1 1 8 MET CE C -1.650 2.385 -1.534 1.00 . A A . 8 MET CE 1 1 15 4155 1 1 8 MET CG C -1.645 0.547 0.465 1.00 . A A . 8 MET CG 1 1 15 4156 1 1 8 MET H H -1.629 -2.252 -0.313 1.00 . A A . 8 MET H 1 1 15 4157 1 1 8 MET HA H 0.646 -0.434 -0.445 1.00 . A A . 8 MET HA 1 1 15 4158 1 1 8 MET HB2 H -1.387 -1.200 1.681 1.00 . A A . 8 MET HB2 1 1 15 4159 1 1 8 MET HB3 H -0.169 0.048 1.933 1.00 . A A . 8 MET HB3 1 1 15 4160 1 1 8 MET HE1 H -1.047 2.923 -2.253 1.00 . A A . 8 MET HE1 1 1 15 4161 1 1 8 MET HE2 H -2.463 3.014 -1.199 1.00 . A A . 8 MET HE2 1 1 15 4162 1 1 8 MET HE3 H -2.046 1.497 -1.994 1.00 . A A . 8 MET HE3 1 1 15 4163 1 1 8 MET HG2 H -2.119 0.070 -0.378 1.00 . A A . 8 MET HG2 1 1 15 4164 1 1 8 MET HG3 H -2.402 0.920 1.142 1.00 . A A . 8 MET HG3 1 1 15 4165 1 1 8 MET N N -0.711 -2.063 -0.612 1.00 . A A . 8 MET N 1 1 15 4166 1 1 8 MET O O 2.394 -1.764 0.811 1.00 . A A . 8 MET O 1 1 15 4167 1 1 8 MET SD S -0.628 1.924 -0.117 1.00 . A A . 8 MET SD 1 1 15 4168 1 1 9 LYS C C 2.637 -4.522 1.266 1.00 . A A . 9 LYS C 1 1 15 4169 1 1 9 LYS CA C 1.744 -3.904 2.333 1.00 . A A . 9 LYS CA 1 1 15 4170 1 1 9 LYS CB C 0.891 -4.969 3.043 1.00 . A A . 9 LYS CB 1 1 15 4171 1 1 9 LYS CD C 0.683 -6.408 5.083 1.00 . A A . 9 LYS CD 1 1 15 4172 1 1 9 LYS CE C 1.035 -6.393 6.577 1.00 . A A . 9 LYS CE 1 1 15 4173 1 1 9 LYS CG C 1.600 -5.445 4.314 1.00 . A A . 9 LYS CG 1 1 15 4174 1 1 9 LYS H H -0.186 -3.207 1.689 1.00 . A A . 9 LYS H 1 1 15 4175 1 1 9 LYS HA H 2.333 -3.348 3.038 1.00 . A A . 9 LYS HA 1 1 15 4176 1 1 9 LYS HB2 H -0.069 -4.547 3.305 1.00 . A A . 9 LYS HB2 1 1 15 4177 1 1 9 LYS HB3 H 0.742 -5.807 2.380 1.00 . A A . 9 LYS HB3 1 1 15 4178 1 1 9 LYS HD2 H -0.345 -6.102 4.955 1.00 . A A . 9 LYS HD2 1 1 15 4179 1 1 9 LYS HD3 H 0.808 -7.407 4.697 1.00 . A A . 9 LYS HD3 1 1 15 4180 1 1 9 LYS HE2 H 1.052 -5.380 6.953 1.00 . A A . 9 LYS HE2 1 1 15 4181 1 1 9 LYS HE3 H 0.327 -6.986 7.133 1.00 . A A . 9 LYS HE3 1 1 15 4182 1 1 9 LYS HG2 H 2.514 -5.957 4.044 1.00 . A A . 9 LYS HG2 1 1 15 4183 1 1 9 LYS HG3 H 1.835 -4.594 4.936 1.00 . A A . 9 LYS HG3 1 1 15 4184 1 1 9 LYS HZ1 H 2.665 -7.085 7.671 1.00 . A A . 9 LYS HZ1 1 1 15 4185 1 1 9 LYS HZ2 H 3.080 -6.408 6.171 1.00 . A A . 9 LYS HZ2 1 1 15 4186 1 1 9 LYS HZ3 H 2.377 -7.950 6.241 1.00 . A A . 9 LYS HZ3 1 1 15 4187 1 1 9 LYS N N 0.772 -3.015 1.639 1.00 . A A . 9 LYS N 1 1 15 4188 1 1 9 LYS NZ N 2.389 -7.004 6.670 1.00 . A A . 9 LYS NZ 1 1 15 4189 1 1 9 LYS O O 3.834 -4.608 1.420 1.00 . A A . 9 LYS O 1 1 15 4190 1 1 10 ALA C C 3.921 -4.502 -1.319 1.00 . A A . 10 ALA C 1 1 15 4191 1 1 10 ALA CA C 2.828 -5.457 -0.981 1.00 . A A . 10 ALA CA 1 1 15 4192 1 1 10 ALA CB C 1.890 -5.396 -2.178 1.00 . A A . 10 ALA CB 1 1 15 4193 1 1 10 ALA H H 1.077 -4.766 0.075 1.00 . A A . 10 ALA H 1 1 15 4194 1 1 10 ALA HA H 3.186 -6.455 -0.795 1.00 . A A . 10 ALA HA 1 1 15 4195 1 1 10 ALA HB1 H 1.303 -6.280 -2.242 1.00 . A A . 10 ALA HB1 1 1 15 4196 1 1 10 ALA HB2 H 2.489 -5.273 -3.079 1.00 . A A . 10 ALA HB2 1 1 15 4197 1 1 10 ALA HB3 H 1.247 -4.524 -2.078 1.00 . A A . 10 ALA HB3 1 1 15 4198 1 1 10 ALA N N 2.044 -4.895 0.163 1.00 . A A . 10 ALA N 1 1 15 4199 1 1 10 ALA O O 5.100 -4.789 -1.260 1.00 . A A . 10 ALA O 1 1 15 4200 1 1 11 PHE C C 5.383 -1.982 -1.086 1.00 . A A . 11 PHE C 1 1 15 4201 1 1 11 PHE CA C 4.382 -2.311 -2.148 1.00 . A A . 11 PHE CA 1 1 15 4202 1 1 11 PHE CB C 3.520 -1.106 -2.356 1.00 . A A . 11 PHE CB 1 1 15 4203 1 1 11 PHE CD1 C 4.843 0.025 -4.097 1.00 . A A . 11 PHE CD1 1 1 15 4204 1 1 11 PHE CD2 C 4.915 0.864 -1.836 1.00 . A A . 11 PHE CD2 1 1 15 4205 1 1 11 PHE CE1 C 5.724 1.030 -4.512 1.00 . A A . 11 PHE CE1 1 1 15 4206 1 1 11 PHE CE2 C 5.804 1.874 -2.233 1.00 . A A . 11 PHE CE2 1 1 15 4207 1 1 11 PHE CG C 4.450 -0.039 -2.777 1.00 . A A . 11 PHE CG 1 1 15 4208 1 1 11 PHE CZ C 6.200 1.961 -3.579 1.00 . A A . 11 PHE CZ 1 1 15 4209 1 1 11 PHE H H 2.513 -3.205 -1.787 1.00 . A A . 11 PHE H 1 1 15 4210 1 1 11 PHE HA H 4.868 -2.568 -3.064 1.00 . A A . 11 PHE HA 1 1 15 4211 1 1 11 PHE HB2 H 2.774 -1.293 -3.109 1.00 . A A . 11 PHE HB2 1 1 15 4212 1 1 11 PHE HB3 H 3.045 -0.828 -1.428 1.00 . A A . 11 PHE HB3 1 1 15 4213 1 1 11 PHE HD1 H 4.476 -0.730 -4.793 1.00 . A A . 11 PHE HD1 1 1 15 4214 1 1 11 PHE HD2 H 4.618 0.749 -0.788 1.00 . A A . 11 PHE HD2 1 1 15 4215 1 1 11 PHE HE1 H 6.037 1.085 -5.543 1.00 . A A . 11 PHE HE1 1 1 15 4216 1 1 11 PHE HE2 H 6.168 2.593 -1.511 1.00 . A A . 11 PHE HE2 1 1 15 4217 1 1 11 PHE HZ H 6.879 2.740 -3.899 1.00 . A A . 11 PHE HZ 1 1 15 4218 1 1 11 PHE N N 3.480 -3.360 -1.730 1.00 . A A . 11 PHE N 1 1 15 4219 1 1 11 PHE O O 6.556 -2.070 -1.303 1.00 . A A . 11 PHE O 1 1 15 4220 1 1 12 GLU C C 6.897 -2.357 1.280 1.00 . A A . 12 GLU C 1 1 15 4221 1 1 12 GLU CA C 5.930 -1.175 1.074 1.00 . A A . 12 GLU CA 1 1 15 4222 1 1 12 GLU CB C 5.118 -0.850 2.323 1.00 . A A . 12 GLU CB 1 1 15 4223 1 1 12 GLU CD C 5.540 1.544 2.894 1.00 . A A . 12 GLU CD 1 1 15 4224 1 1 12 GLU CG C 4.573 0.578 2.215 1.00 . A A . 12 GLU CG 1 1 15 4225 1 1 12 GLU H H 3.981 -1.444 0.200 1.00 . A A . 12 GLU H 1 1 15 4226 1 1 12 GLU HA H 6.456 -0.297 0.713 1.00 . A A . 12 GLU HA 1 1 15 4227 1 1 12 GLU HB2 H 4.293 -1.546 2.408 1.00 . A A . 12 GLU HB2 1 1 15 4228 1 1 12 GLU HB3 H 5.746 -0.931 3.190 1.00 . A A . 12 GLU HB3 1 1 15 4229 1 1 12 GLU HG2 H 4.468 0.847 1.171 1.00 . A A . 12 GLU HG2 1 1 15 4230 1 1 12 GLU HG3 H 3.612 0.633 2.699 1.00 . A A . 12 GLU HG3 1 1 15 4231 1 1 12 GLU N N 4.944 -1.549 0.046 1.00 . A A . 12 GLU N 1 1 15 4232 1 1 12 GLU O O 8.102 -2.190 1.349 1.00 . A A . 12 GLU O 1 1 15 4233 1 1 12 GLU OE1 O 6.498 1.945 2.258 1.00 . A A . 12 GLU OE1 1 1 15 4234 1 1 12 GLU OE2 O 5.313 1.863 4.046 1.00 . A A . 12 GLU OE2 1 1 15 4235 1 1 13 SER C C 8.165 -4.844 0.175 1.00 . A A . 13 SER C 1 1 15 4236 1 1 13 SER CA C 7.245 -4.771 1.417 1.00 . A A . 13 SER CA 1 1 15 4237 1 1 13 SER CB C 6.283 -5.966 1.450 1.00 . A A . 13 SER CB 1 1 15 4238 1 1 13 SER H H 5.395 -3.670 1.206 1.00 . A A . 13 SER H 1 1 15 4239 1 1 13 SER HA H 7.828 -4.730 2.317 1.00 . A A . 13 SER HA 1 1 15 4240 1 1 13 SER HB2 H 5.609 -5.916 0.605 1.00 . A A . 13 SER HB2 1 1 15 4241 1 1 13 SER HB3 H 6.846 -6.891 1.399 1.00 . A A . 13 SER HB3 1 1 15 4242 1 1 13 SER HG H 4.734 -5.388 2.482 1.00 . A A . 13 SER HG 1 1 15 4243 1 1 13 SER N N 6.368 -3.559 1.306 1.00 . A A . 13 SER N 1 1 15 4244 1 1 13 SER O O 9.196 -5.487 0.185 1.00 . A A . 13 SER O 1 1 15 4245 1 1 13 SER OG O 5.523 -5.923 2.655 1.00 . A A . 13 SER OG 1 1 15 4246 1 1 14 LEU C C 9.485 -2.860 -2.062 1.00 . A A . 14 LEU C 1 1 15 4247 1 1 14 LEU CA C 8.599 -4.107 -2.134 1.00 . A A . 14 LEU CA 1 1 15 4248 1 1 14 LEU CB C 7.515 -4.088 -3.255 1.00 . A A . 14 LEU CB 1 1 15 4249 1 1 14 LEU CD1 C 7.759 -1.704 -4.027 1.00 . A A . 14 LEU CD1 1 1 15 4250 1 1 14 LEU CD2 C 9.240 -3.464 -5.010 1.00 . A A . 14 LEU CD2 1 1 15 4251 1 1 14 LEU CG C 7.847 -3.165 -4.452 1.00 . A A . 14 LEU CG 1 1 15 4252 1 1 14 LEU H H 6.965 -3.639 -0.831 1.00 . A A . 14 LEU H 1 1 15 4253 1 1 14 LEU HA H 9.216 -4.976 -2.206 1.00 . A A . 14 LEU HA 1 1 15 4254 1 1 14 LEU HB2 H 7.382 -5.089 -3.624 1.00 . A A . 14 LEU HB2 1 1 15 4255 1 1 14 LEU HB3 H 6.580 -3.758 -2.817 1.00 . A A . 14 LEU HB3 1 1 15 4256 1 1 14 LEU HD11 H 8.750 -1.305 -3.896 1.00 . A A . 14 LEU HD11 1 1 15 4257 1 1 14 LEU HD12 H 7.221 -1.639 -3.096 1.00 . A A . 14 LEU HD12 1 1 15 4258 1 1 14 LEU HD13 H 7.237 -1.138 -4.782 1.00 . A A . 14 LEU HD13 1 1 15 4259 1 1 14 LEU HD21 H 9.941 -3.551 -4.202 1.00 . A A . 14 LEU HD21 1 1 15 4260 1 1 14 LEU HD22 H 9.548 -2.662 -5.666 1.00 . A A . 14 LEU HD22 1 1 15 4261 1 1 14 LEU HD23 H 9.218 -4.391 -5.563 1.00 . A A . 14 LEU HD23 1 1 15 4262 1 1 14 LEU HG H 7.116 -3.338 -5.231 1.00 . A A . 14 LEU HG 1 1 15 4263 1 1 14 LEU N N 7.790 -4.157 -0.874 1.00 . A A . 14 LEU N 1 1 15 4264 1 1 14 LEU O O 10.649 -2.881 -2.413 1.00 . A A . 14 LEU O 1 1 15 4265 1 1 15 LYS C C 10.949 -1.005 -0.462 1.00 . A A . 15 LYS C 1 1 15 4266 1 1 15 LYS CA C 9.740 -0.579 -1.285 1.00 . A A . 15 LYS CA 1 1 15 4267 1 1 15 LYS CB C 8.744 0.256 -0.478 1.00 . A A . 15 LYS CB 1 1 15 4268 1 1 15 LYS CD C 10.072 2.209 0.318 1.00 . A A . 15 LYS CD 1 1 15 4269 1 1 15 LYS CE C 9.111 3.389 0.528 1.00 . A A . 15 LYS CE 1 1 15 4270 1 1 15 LYS CG C 9.402 0.894 0.730 1.00 . A A . 15 LYS CG 1 1 15 4271 1 1 15 LYS H H 8.043 -1.851 -1.167 1.00 . A A . 15 LYS H 1 1 15 4272 1 1 15 LYS HA H 10.017 -0.096 -2.206 1.00 . A A . 15 LYS HA 1 1 15 4273 1 1 15 LYS HB2 H 8.334 1.005 -1.100 1.00 . A A . 15 LYS HB2 1 1 15 4274 1 1 15 LYS HB3 H 7.947 -0.387 -0.140 1.00 . A A . 15 LYS HB3 1 1 15 4275 1 1 15 LYS HD2 H 10.960 2.359 0.914 1.00 . A A . 15 LYS HD2 1 1 15 4276 1 1 15 LYS HD3 H 10.349 2.158 -0.725 1.00 . A A . 15 LYS HD3 1 1 15 4277 1 1 15 LYS HE2 H 9.625 4.326 0.352 1.00 . A A . 15 LYS HE2 1 1 15 4278 1 1 15 LYS HE3 H 8.261 3.300 -0.130 1.00 . A A . 15 LYS HE3 1 1 15 4279 1 1 15 LYS HG2 H 8.648 1.080 1.475 1.00 . A A . 15 LYS HG2 1 1 15 4280 1 1 15 LYS HG3 H 10.141 0.218 1.125 1.00 . A A . 15 LYS HG3 1 1 15 4281 1 1 15 LYS HZ1 H 8.487 4.256 2.311 1.00 . A A . 15 LYS HZ1 1 1 15 4282 1 1 15 LYS HZ2 H 9.405 2.855 2.527 1.00 . A A . 15 LYS HZ2 1 1 15 4283 1 1 15 LYS HZ3 H 7.781 2.736 2.011 1.00 . A A . 15 LYS HZ3 1 1 15 4284 1 1 15 LYS N N 8.959 -1.809 -1.508 1.00 . A A . 15 LYS N 1 1 15 4285 1 1 15 LYS NZ N 8.668 3.302 1.950 1.00 . A A . 15 LYS NZ 1 1 15 4286 1 1 15 LYS O O 12.081 -0.652 -0.723 1.00 . A A . 15 LYS O 1 1 15 4287 1 1 16 SER C C 12.996 -2.671 0.690 1.00 . A A . 16 SER C 1 1 15 4288 1 1 16 SER CA C 11.671 -2.417 1.416 1.00 . A A . 16 SER CA 1 1 15 4289 1 1 16 SER CB C 11.035 -3.758 1.784 1.00 . A A . 16 SER CB 1 1 15 4290 1 1 16 SER H H 9.703 -2.052 0.628 1.00 . A A . 16 SER H 1 1 15 4291 1 1 16 SER HA H 11.818 -1.820 2.290 1.00 . A A . 16 SER HA 1 1 15 4292 1 1 16 SER HB2 H 10.486 -4.131 0.930 1.00 . A A . 16 SER HB2 1 1 15 4293 1 1 16 SER HB3 H 11.813 -4.467 2.034 1.00 . A A . 16 SER HB3 1 1 15 4294 1 1 16 SER HG H 9.455 -2.953 2.619 1.00 . A A . 16 SER HG 1 1 15 4295 1 1 16 SER N N 10.651 -1.816 0.509 1.00 . A A . 16 SER N 1 1 15 4296 1 1 16 SER O O 14.034 -2.147 1.053 1.00 . A A . 16 SER O 1 1 15 4297 1 1 16 SER OG O 10.140 -3.585 2.884 1.00 . A A . 16 SER OG 1 1 15 4298 1 1 17 PHE C C 14.361 -2.944 -2.315 1.00 . A A . 17 PHE C 1 1 15 4299 1 1 17 PHE CA C 14.201 -3.833 -1.075 1.00 . A A . 17 PHE CA 1 1 15 4300 1 1 17 PHE CB C 14.024 -5.309 -1.466 1.00 . A A . 17 PHE CB 1 1 15 4301 1 1 17 PHE CD1 C 12.586 -5.002 -3.511 1.00 . A A . 17 PHE CD1 1 1 15 4302 1 1 17 PHE CD2 C 11.720 -6.278 -1.650 1.00 . A A . 17 PHE CD2 1 1 15 4303 1 1 17 PHE CE1 C 11.400 -5.215 -4.211 1.00 . A A . 17 PHE CE1 1 1 15 4304 1 1 17 PHE CE2 C 10.535 -6.499 -2.348 1.00 . A A . 17 PHE CE2 1 1 15 4305 1 1 17 PHE CG C 12.744 -5.531 -2.230 1.00 . A A . 17 PHE CG 1 1 15 4306 1 1 17 PHE CZ C 10.373 -5.967 -3.636 1.00 . A A . 17 PHE CZ 1 1 15 4307 1 1 17 PHE H H 12.118 -3.908 -0.571 1.00 . A A . 17 PHE H 1 1 15 4308 1 1 17 PHE HA H 15.061 -3.730 -0.433 1.00 . A A . 17 PHE HA 1 1 15 4309 1 1 17 PHE HB2 H 14.844 -5.613 -2.079 1.00 . A A . 17 PHE HB2 1 1 15 4310 1 1 17 PHE HB3 H 14.001 -5.909 -0.571 1.00 . A A . 17 PHE HB3 1 1 15 4311 1 1 17 PHE HD1 H 13.380 -4.423 -3.959 1.00 . A A . 17 PHE HD1 1 1 15 4312 1 1 17 PHE HD2 H 11.848 -6.688 -0.658 1.00 . A A . 17 PHE HD2 1 1 15 4313 1 1 17 PHE HE1 H 11.273 -4.787 -5.192 1.00 . A A . 17 PHE HE1 1 1 15 4314 1 1 17 PHE HE2 H 9.734 -7.056 -1.888 1.00 . A A . 17 PHE HE2 1 1 15 4315 1 1 17 PHE HZ H 9.454 -6.136 -4.180 1.00 . A A . 17 PHE HZ 1 1 15 4316 1 1 17 PHE N N 12.963 -3.495 -0.319 1.00 . A A . 17 PHE N 1 1 15 4317 1 1 17 PHE O O 15.130 -3.250 -3.206 1.00 . A A . 17 PHE O 1 1 15 4318 1 1 18 NH2 HN1 H 13.054 -1.583 -1.705 1.00 . A A . 18 NH2 HN1 1 1 15 4319 1 1 18 NH2 HN2 H 13.779 -1.275 -3.209 1.00 . A A . 18 NH2 HN2 1 1 15 4320 1 1 18 NH2 N N 13.676 -1.843 -2.416 1.00 . A A . 18 NH2 N 1 1 16 4321 1 1 1 MET C C -7.697 4.406 -2.271 1.00 . A A . 1 MET C 1 1 16 4322 1 1 1 MET CA C -7.032 5.750 -1.952 1.00 . A A . 1 MET CA 1 1 16 4323 1 1 1 MET CB C -6.526 5.766 -0.504 1.00 . A A . 1 MET CB 1 1 16 4324 1 1 1 MET CE C -3.328 3.462 0.662 1.00 . A A . 1 MET CE 1 1 16 4325 1 1 1 MET CG C -5.112 5.183 -0.437 1.00 . A A . 1 MET CG 1 1 16 4326 1 1 1 MET H1 H -8.870 6.606 -1.457 1.00 . A A . 1 MET H1 1 1 16 4327 1 1 1 MET H2 H -8.335 6.962 -3.029 1.00 . A A . 1 MET H2 1 1 16 4328 1 1 1 MET H3 H -7.627 7.731 -1.693 1.00 . A A . 1 MET H3 1 1 16 4329 1 1 1 MET HA H -6.220 5.937 -2.630 1.00 . A A . 1 MET HA 1 1 16 4330 1 1 1 MET HB2 H -6.507 6.784 -0.136 1.00 . A A . 1 MET HB2 1 1 16 4331 1 1 1 MET HB3 H -7.183 5.176 0.114 1.00 . A A . 1 MET HB3 1 1 16 4332 1 1 1 MET HE1 H -2.931 3.714 1.640 1.00 . A A . 1 MET HE1 1 1 16 4333 1 1 1 MET HE2 H -2.861 4.082 -0.095 1.00 . A A . 1 MET HE2 1 1 16 4334 1 1 1 MET HE3 H -3.121 2.429 0.450 1.00 . A A . 1 MET HE3 1 1 16 4335 1 1 1 MET HG2 H -4.782 4.894 -1.425 1.00 . A A . 1 MET HG2 1 1 16 4336 1 1 1 MET HG3 H -4.438 5.929 -0.043 1.00 . A A . 1 MET HG3 1 1 16 4337 1 1 1 MET N N -8.043 6.845 -2.036 1.00 . A A . 1 MET N 1 1 16 4338 1 1 1 MET O O -8.910 4.303 -2.322 1.00 . A A . 1 MET O 1 1 16 4339 1 1 1 MET SD S -5.115 3.737 0.650 1.00 . A A . 1 MET SD 1 1 16 4340 1 1 2 ALA C C -8.279 1.522 -1.559 1.00 . A A . 2 ALA C 1 1 16 4341 1 1 2 ALA CA C -7.511 2.031 -2.777 1.00 . A A . 2 ALA CA 1 1 16 4342 1 1 2 ALA CB C -6.319 1.118 -3.080 1.00 . A A . 2 ALA CB 1 1 16 4343 1 1 2 ALA H H -5.942 3.476 -2.417 1.00 . A A . 2 ALA H 1 1 16 4344 1 1 2 ALA HA H -8.161 2.087 -3.636 1.00 . A A . 2 ALA HA 1 1 16 4345 1 1 2 ALA HB1 H -5.641 1.618 -3.759 1.00 . A A . 2 ALA HB1 1 1 16 4346 1 1 2 ALA HB2 H -6.675 0.207 -3.538 1.00 . A A . 2 ALA HB2 1 1 16 4347 1 1 2 ALA HB3 H -5.801 0.885 -2.164 1.00 . A A . 2 ALA HB3 1 1 16 4348 1 1 2 ALA N N -6.917 3.372 -2.474 1.00 . A A . 2 ALA N 1 1 16 4349 1 1 2 ALA O O -7.801 1.584 -0.442 1.00 . A A . 2 ALA O 1 1 16 4350 1 1 3 THR C C -9.720 -0.861 -0.178 1.00 . A A . 3 THR C 1 1 16 4351 1 1 3 THR CA C -10.265 0.500 -0.625 1.00 . A A . 3 THR CA 1 1 16 4352 1 1 3 THR CB C -11.701 0.357 -1.163 1.00 . A A . 3 THR CB 1 1 16 4353 1 1 3 THR CG2 C -12.621 1.329 -0.430 1.00 . A A . 3 THR CG2 1 1 16 4354 1 1 3 THR H H -9.824 0.966 -2.672 1.00 . A A . 3 THR H 1 1 16 4355 1 1 3 THR HA H -10.244 1.198 0.198 1.00 . A A . 3 THR HA 1 1 16 4356 1 1 3 THR HB H -12.046 -0.652 -0.990 1.00 . A A . 3 THR HB 1 1 16 4357 1 1 3 THR HG1 H -12.145 -0.108 -3.013 1.00 . A A . 3 THR HG1 1 1 16 4358 1 1 3 THR HG21 H -12.050 2.184 -0.095 1.00 . A A . 3 THR HG21 1 1 16 4359 1 1 3 THR HG22 H -13.064 0.833 0.421 1.00 . A A . 3 THR HG22 1 1 16 4360 1 1 3 THR HG23 H -13.400 1.659 -1.098 1.00 . A A . 3 THR HG23 1 1 16 4361 1 1 3 THR N N -9.461 1.015 -1.764 1.00 . A A . 3 THR N 1 1 16 4362 1 1 3 THR O O -9.897 -1.265 0.956 1.00 . A A . 3 THR O 1 1 16 4363 1 1 3 THR OG1 O -11.733 0.643 -2.562 1.00 . A A . 3 THR OG1 1 1 16 4364 1 1 4 LEU C C -7.270 -2.784 0.188 1.00 . A A . 4 LEU C 1 1 16 4365 1 1 4 LEU CA C -8.525 -2.914 -0.691 1.00 . A A . 4 LEU CA 1 1 16 4366 1 1 4 LEU CB C -8.186 -3.597 -2.017 1.00 . A A . 4 LEU CB 1 1 16 4367 1 1 4 LEU CD1 C -9.755 -3.997 -3.921 1.00 . A A . 4 LEU CD1 1 1 16 4368 1 1 4 LEU CD2 C -9.047 -5.900 -2.472 1.00 . A A . 4 LEU CD2 1 1 16 4369 1 1 4 LEU CG C -9.390 -4.410 -2.496 1.00 . A A . 4 LEU CG 1 1 16 4370 1 1 4 LEU H H -8.951 -1.230 -1.971 1.00 . A A . 4 LEU H 1 1 16 4371 1 1 4 LEU HA H -9.283 -3.478 -0.175 1.00 . A A . 4 LEU HA 1 1 16 4372 1 1 4 LEU HB2 H -7.940 -2.848 -2.755 1.00 . A A . 4 LEU HB2 1 1 16 4373 1 1 4 LEU HB3 H -7.342 -4.254 -1.876 1.00 . A A . 4 LEU HB3 1 1 16 4374 1 1 4 LEU HD11 H -10.830 -3.975 -4.027 1.00 . A A . 4 LEU HD11 1 1 16 4375 1 1 4 LEU HD12 H -9.338 -4.709 -4.621 1.00 . A A . 4 LEU HD12 1 1 16 4376 1 1 4 LEU HD13 H -9.356 -3.015 -4.126 1.00 . A A . 4 LEU HD13 1 1 16 4377 1 1 4 LEU HD21 H -9.650 -6.422 -3.202 1.00 . A A . 4 LEU HD21 1 1 16 4378 1 1 4 LEU HD22 H -9.243 -6.299 -1.488 1.00 . A A . 4 LEU HD22 1 1 16 4379 1 1 4 LEU HD23 H -8.004 -6.034 -2.711 1.00 . A A . 4 LEU HD23 1 1 16 4380 1 1 4 LEU HG H -10.232 -4.224 -1.842 1.00 . A A . 4 LEU HG 1 1 16 4381 1 1 4 LEU N N -9.071 -1.574 -1.061 1.00 . A A . 4 LEU N 1 1 16 4382 1 1 4 LEU O O -6.955 -3.690 0.937 1.00 . A A . 4 LEU O 1 1 16 4383 1 1 5 GLU C C -4.208 -2.433 0.590 1.00 . A A . 5 GLU C 1 1 16 4384 1 1 5 GLU CA C -5.320 -1.426 0.918 1.00 . A A . 5 GLU CA 1 1 16 4385 1 1 5 GLU CB C -5.722 -1.562 2.386 1.00 . A A . 5 GLU CB 1 1 16 4386 1 1 5 GLU CD C -7.430 -0.569 3.905 1.00 . A A . 5 GLU CD 1 1 16 4387 1 1 5 GLU CG C -7.218 -1.311 2.589 1.00 . A A . 5 GLU CG 1 1 16 4388 1 1 5 GLU H H -6.850 -0.977 -0.497 1.00 . A A . 5 GLU H 1 1 16 4389 1 1 5 GLU HA H -4.960 -0.424 0.740 1.00 . A A . 5 GLU HA 1 1 16 4390 1 1 5 GLU HB2 H -5.487 -2.556 2.719 1.00 . A A . 5 GLU HB2 1 1 16 4391 1 1 5 GLU HB3 H -5.162 -0.846 2.962 1.00 . A A . 5 GLU HB3 1 1 16 4392 1 1 5 GLU HG2 H -7.596 -0.720 1.770 1.00 . A A . 5 GLU HG2 1 1 16 4393 1 1 5 GLU HG3 H -7.737 -2.259 2.622 1.00 . A A . 5 GLU HG3 1 1 16 4394 1 1 5 GLU N N -6.561 -1.670 0.102 1.00 . A A . 5 GLU N 1 1 16 4395 1 1 5 GLU O O -3.066 -2.062 0.417 1.00 . A A . 5 GLU O 1 1 16 4396 1 1 5 GLU OE1 O -7.137 -1.140 4.940 1.00 . A A . 5 GLU OE1 1 1 16 4397 1 1 5 GLU OE2 O -7.885 0.558 3.860 1.00 . A A . 5 GLU OE2 1 1 16 4398 1 1 6 LYS C C -2.339 -4.352 -0.534 1.00 . A A . 6 LYS C 1 1 16 4399 1 1 6 LYS CA C -3.560 -4.798 0.269 1.00 . A A . 6 LYS CA 1 1 16 4400 1 1 6 LYS CB C -4.360 -5.831 -0.529 1.00 . A A . 6 LYS CB 1 1 16 4401 1 1 6 LYS CD C -6.299 -6.966 0.563 1.00 . A A . 6 LYS CD 1 1 16 4402 1 1 6 LYS CE C -6.648 -6.527 1.987 1.00 . A A . 6 LYS CE 1 1 16 4403 1 1 6 LYS CG C -4.779 -6.986 0.383 1.00 . A A . 6 LYS CG 1 1 16 4404 1 1 6 LYS H H -5.473 -3.937 0.734 1.00 . A A . 6 LYS H 1 1 16 4405 1 1 6 LYS HA H -3.230 -5.232 1.193 1.00 . A A . 6 LYS HA 1 1 16 4406 1 1 6 LYS HB2 H -5.241 -5.362 -0.945 1.00 . A A . 6 LYS HB2 1 1 16 4407 1 1 6 LYS HB3 H -3.749 -6.207 -1.329 1.00 . A A . 6 LYS HB3 1 1 16 4408 1 1 6 LYS HD2 H -6.738 -6.273 -0.143 1.00 . A A . 6 LYS HD2 1 1 16 4409 1 1 6 LYS HD3 H -6.695 -7.952 0.386 1.00 . A A . 6 LYS HD3 1 1 16 4410 1 1 6 LYS HE2 H -6.084 -5.642 2.252 1.00 . A A . 6 LYS HE2 1 1 16 4411 1 1 6 LYS HE3 H -7.707 -6.330 2.066 1.00 . A A . 6 LYS HE3 1 1 16 4412 1 1 6 LYS HG2 H -4.483 -7.925 -0.067 1.00 . A A . 6 LYS HG2 1 1 16 4413 1 1 6 LYS HG3 H -4.301 -6.879 1.344 1.00 . A A . 6 LYS HG3 1 1 16 4414 1 1 6 LYS HZ1 H -5.549 -7.367 3.539 1.00 . A A . 6 LYS HZ1 1 1 16 4415 1 1 6 LYS HZ2 H -5.895 -8.452 2.291 1.00 . A A . 6 LYS HZ2 1 1 16 4416 1 1 6 LYS HZ3 H -7.114 -7.993 3.378 1.00 . A A . 6 LYS HZ3 1 1 16 4417 1 1 6 LYS N N -4.542 -3.696 0.550 1.00 . A A . 6 LYS N 1 1 16 4418 1 1 6 LYS NZ N -6.272 -7.672 2.861 1.00 . A A . 6 LYS NZ 1 1 16 4419 1 1 6 LYS O O -1.219 -4.655 -0.169 1.00 . A A . 6 LYS O 1 1 16 4420 1 1 7 LEU C C -0.302 -2.502 -1.532 1.00 . A A . 7 LEU C 1 1 16 4421 1 1 7 LEU CA C -1.345 -3.205 -2.424 1.00 . A A . 7 LEU CA 1 1 16 4422 1 1 7 LEU CB C -1.908 -2.243 -3.483 1.00 . A A . 7 LEU CB 1 1 16 4423 1 1 7 LEU CD1 C -0.676 -0.060 -3.290 1.00 . A A . 7 LEU CD1 1 1 16 4424 1 1 7 LEU CD2 C -3.166 -0.074 -3.552 1.00 . A A . 7 LEU CD2 1 1 16 4425 1 1 7 LEU CG C -1.970 -0.805 -2.934 1.00 . A A . 7 LEU CG 1 1 16 4426 1 1 7 LEU H H -3.437 -3.427 -1.906 1.00 . A A . 7 LEU H 1 1 16 4427 1 1 7 LEU HA H -0.895 -4.056 -2.913 1.00 . A A . 7 LEU HA 1 1 16 4428 1 1 7 LEU HB2 H -1.271 -2.267 -4.354 1.00 . A A . 7 LEU HB2 1 1 16 4429 1 1 7 LEU HB3 H -2.903 -2.562 -3.763 1.00 . A A . 7 LEU HB3 1 1 16 4430 1 1 7 LEU HD11 H -0.358 0.534 -2.444 1.00 . A A . 7 LEU HD11 1 1 16 4431 1 1 7 LEU HD12 H -0.846 0.587 -4.138 1.00 . A A . 7 LEU HD12 1 1 16 4432 1 1 7 LEU HD13 H 0.095 -0.775 -3.533 1.00 . A A . 7 LEU HD13 1 1 16 4433 1 1 7 LEU HD21 H -3.985 -0.763 -3.678 1.00 . A A . 7 LEU HD21 1 1 16 4434 1 1 7 LEU HD22 H -2.884 0.332 -4.513 1.00 . A A . 7 LEU HD22 1 1 16 4435 1 1 7 LEU HD23 H -3.470 0.730 -2.898 1.00 . A A . 7 LEU HD23 1 1 16 4436 1 1 7 LEU HG H -2.086 -0.835 -1.859 1.00 . A A . 7 LEU HG 1 1 16 4437 1 1 7 LEU N N -2.526 -3.652 -1.619 1.00 . A A . 7 LEU N 1 1 16 4438 1 1 7 LEU O O 0.842 -2.346 -1.916 1.00 . A A . 7 LEU O 1 1 16 4439 1 1 8 MET C C 1.290 -2.449 1.109 1.00 . A A . 8 MET C 1 1 16 4440 1 1 8 MET CA C 0.317 -1.414 0.539 1.00 . A A . 8 MET CA 1 1 16 4441 1 1 8 MET CB C -0.500 -0.698 1.636 1.00 . A A . 8 MET CB 1 1 16 4442 1 1 8 MET CE C -2.441 0.515 3.440 1.00 . A A . 8 MET CE 1 1 16 4443 1 1 8 MET CG C -0.960 -1.671 2.726 1.00 . A A . 8 MET CG 1 1 16 4444 1 1 8 MET H H -1.593 -2.229 -0.026 1.00 . A A . 8 MET H 1 1 16 4445 1 1 8 MET HA H 0.869 -0.682 -0.037 1.00 . A A . 8 MET HA 1 1 16 4446 1 1 8 MET HB2 H 0.108 0.069 2.087 1.00 . A A . 8 MET HB2 1 1 16 4447 1 1 8 MET HB3 H -1.367 -0.243 1.183 1.00 . A A . 8 MET HB3 1 1 16 4448 1 1 8 MET HE1 H -1.825 1.314 3.051 1.00 . A A . 8 MET HE1 1 1 16 4449 1 1 8 MET HE2 H -3.129 0.913 4.173 1.00 . A A . 8 MET HE2 1 1 16 4450 1 1 8 MET HE3 H -2.998 0.067 2.633 1.00 . A A . 8 MET HE3 1 1 16 4451 1 1 8 MET HG2 H -1.825 -2.216 2.380 1.00 . A A . 8 MET HG2 1 1 16 4452 1 1 8 MET HG3 H -0.166 -2.364 2.959 1.00 . A A . 8 MET HG3 1 1 16 4453 1 1 8 MET N N -0.672 -2.089 -0.341 1.00 . A A . 8 MET N 1 1 16 4454 1 1 8 MET O O 2.481 -2.243 1.075 1.00 . A A . 8 MET O 1 1 16 4455 1 1 8 MET SD S -1.388 -0.737 4.219 1.00 . A A . 8 MET SD 1 1 16 4456 1 1 9 LYS C C 2.614 -5.064 0.906 1.00 . A A . 9 LYS C 1 1 16 4457 1 1 9 LYS CA C 1.768 -4.616 2.091 1.00 . A A . 9 LYS CA 1 1 16 4458 1 1 9 LYS CB C 0.914 -5.767 2.641 1.00 . A A . 9 LYS CB 1 1 16 4459 1 1 9 LYS CD C 1.736 -8.073 3.162 1.00 . A A . 9 LYS CD 1 1 16 4460 1 1 9 LYS CE C 2.225 -8.968 4.307 1.00 . A A . 9 LYS CE 1 1 16 4461 1 1 9 LYS CG C 1.755 -6.606 3.605 1.00 . A A . 9 LYS CG 1 1 16 4462 1 1 9 LYS H H -0.147 -3.761 1.571 1.00 . A A . 9 LYS H 1 1 16 4463 1 1 9 LYS HA H 2.397 -4.202 2.856 1.00 . A A . 9 LYS HA 1 1 16 4464 1 1 9 LYS HB2 H 0.057 -5.367 3.164 1.00 . A A . 9 LYS HB2 1 1 16 4465 1 1 9 LYS HB3 H 0.578 -6.391 1.826 1.00 . A A . 9 LYS HB3 1 1 16 4466 1 1 9 LYS HD2 H 0.728 -8.354 2.893 1.00 . A A . 9 LYS HD2 1 1 16 4467 1 1 9 LYS HD3 H 2.386 -8.198 2.306 1.00 . A A . 9 LYS HD3 1 1 16 4468 1 1 9 LYS HE2 H 1.615 -8.817 5.189 1.00 . A A . 9 LYS HE2 1 1 16 4469 1 1 9 LYS HE3 H 2.201 -10.005 4.009 1.00 . A A . 9 LYS HE3 1 1 16 4470 1 1 9 LYS HG2 H 2.771 -6.242 3.595 1.00 . A A . 9 LYS HG2 1 1 16 4471 1 1 9 LYS HG3 H 1.356 -6.525 4.605 1.00 . A A . 9 LYS HG3 1 1 16 4472 1 1 9 LYS HZ1 H 3.631 -7.696 5.164 1.00 . A A . 9 LYS HZ1 1 1 16 4473 1 1 9 LYS HZ2 H 4.100 -8.324 3.661 1.00 . A A . 9 LYS HZ2 1 1 16 4474 1 1 9 LYS HZ3 H 4.145 -9.310 5.038 1.00 . A A . 9 LYS HZ3 1 1 16 4475 1 1 9 LYS N N 0.816 -3.583 1.584 1.00 . A A . 9 LYS N 1 1 16 4476 1 1 9 LYS NZ N 3.630 -8.541 4.561 1.00 . A A . 9 LYS NZ 1 1 16 4477 1 1 9 LYS O O 3.805 -5.274 1.015 1.00 . A A . 9 LYS O 1 1 16 4478 1 1 10 ALA C C 3.839 -4.544 -1.679 1.00 . A A . 10 ALA C 1 1 16 4479 1 1 10 ALA CA C 2.710 -5.497 -1.498 1.00 . A A . 10 ALA CA 1 1 16 4480 1 1 10 ALA CB C 1.737 -5.150 -2.628 1.00 . A A . 10 ALA CB 1 1 16 4481 1 1 10 ALA H H 1.036 -4.923 -0.273 1.00 . A A . 10 ALA H 1 1 16 4482 1 1 10 ALA HA H 3.027 -6.526 -1.533 1.00 . A A . 10 ALA HA 1 1 16 4483 1 1 10 ALA HB1 H 2.189 -4.368 -3.241 1.00 . A A . 10 ALA HB1 1 1 16 4484 1 1 10 ALA HB2 H 0.817 -4.766 -2.210 1.00 . A A . 10 ALA HB2 1 1 16 4485 1 1 10 ALA HB3 H 1.548 -6.008 -3.231 1.00 . A A . 10 ALA HB3 1 1 16 4486 1 1 10 ALA N N 1.988 -5.144 -0.238 1.00 . A A . 10 ALA N 1 1 16 4487 1 1 10 ALA O O 4.994 -4.901 -1.821 1.00 . A A . 10 ALA O 1 1 16 4488 1 1 11 PHE C C 5.327 -2.019 -0.847 1.00 . A A . 11 PHE C 1 1 16 4489 1 1 11 PHE CA C 4.387 -2.244 -1.982 1.00 . A A . 11 PHE CA 1 1 16 4490 1 1 11 PHE CB C 3.542 -1.027 -2.125 1.00 . A A . 11 PHE CB 1 1 16 4491 1 1 11 PHE CD1 C 4.910 0.165 -3.766 1.00 . A A . 11 PHE CD1 1 1 16 4492 1 1 11 PHE CD2 C 4.995 0.822 -1.448 1.00 . A A . 11 PHE CD2 1 1 16 4493 1 1 11 PHE CE1 C 5.842 1.156 -4.094 1.00 . A A . 11 PHE CE1 1 1 16 4494 1 1 11 PHE CE2 C 5.922 1.819 -1.751 1.00 . A A . 11 PHE CE2 1 1 16 4495 1 1 11 PHE CG C 4.502 0.024 -2.459 1.00 . A A . 11 PHE CG 1 1 16 4496 1 1 11 PHE CZ C 6.345 1.992 -3.080 1.00 . A A . 11 PHE CZ 1 1 16 4497 1 1 11 PHE H H 2.493 -3.109 -1.671 1.00 . A A . 11 PHE H 1 1 16 4498 1 1 11 PHE HA H 4.930 -2.398 -2.882 1.00 . A A . 11 PHE HA 1 1 16 4499 1 1 11 PHE HB2 H 2.817 -1.158 -2.906 1.00 . A A . 11 PHE HB2 1 1 16 4500 1 1 11 PHE HB3 H 3.051 -0.793 -1.192 1.00 . A A . 11 PHE HB3 1 1 16 4501 1 1 11 PHE HD1 H 4.522 -0.535 -4.517 1.00 . A A . 11 PHE HD1 1 1 16 4502 1 1 11 PHE HD2 H 4.667 0.639 -0.422 1.00 . A A . 11 PHE HD2 1 1 16 4503 1 1 11 PHE HE1 H 6.162 1.287 -5.114 1.00 . A A . 11 PHE HE1 1 1 16 4504 1 1 11 PHE HE2 H 6.316 2.452 -0.967 1.00 . A A . 11 PHE HE2 1 1 16 4505 1 1 11 PHE HZ H 7.059 2.763 -3.321 1.00 . A A . 11 PHE HZ 1 1 16 4506 1 1 11 PHE N N 3.454 -3.319 -1.745 1.00 . A A . 11 PHE N 1 1 16 4507 1 1 11 PHE O O 6.526 -2.016 -1.022 1.00 . A A . 11 PHE O 1 1 16 4508 1 1 12 GLU C C 6.742 -2.634 1.472 1.00 . A A . 12 GLU C 1 1 16 4509 1 1 12 GLU CA C 5.714 -1.500 1.427 1.00 . A A . 12 GLU CA 1 1 16 4510 1 1 12 GLU CB C 4.839 -1.467 2.671 1.00 . A A . 12 GLU CB 1 1 16 4511 1 1 12 GLU CD C 5.239 0.854 3.532 1.00 . A A . 12 GLU CD 1 1 16 4512 1 1 12 GLU CG C 4.238 -0.070 2.837 1.00 . A A . 12 GLU CG 1 1 16 4513 1 1 12 GLU H H 3.837 -1.732 0.421 1.00 . A A . 12 GLU H 1 1 16 4514 1 1 12 GLU HA H 6.189 -0.540 1.248 1.00 . A A . 12 GLU HA 1 1 16 4515 1 1 12 GLU HB2 H 4.047 -2.193 2.571 1.00 . A A . 12 GLU HB2 1 1 16 4516 1 1 12 GLU HB3 H 5.436 -1.710 3.532 1.00 . A A . 12 GLU HB3 1 1 16 4517 1 1 12 GLU HG2 H 3.995 0.332 1.865 1.00 . A A . 12 GLU HG2 1 1 16 4518 1 1 12 GLU HG3 H 3.338 -0.135 3.431 1.00 . A A . 12 GLU HG3 1 1 16 4519 1 1 12 GLU N N 4.811 -1.771 0.308 1.00 . A A . 12 GLU N 1 1 16 4520 1 1 12 GLU O O 7.905 -2.435 1.758 1.00 . A A . 12 GLU O 1 1 16 4521 1 1 12 GLU OE1 O 5.902 0.404 4.451 1.00 . A A . 12 GLU OE1 1 1 16 4522 1 1 12 GLU OE2 O 5.325 2.000 3.139 1.00 . A A . 12 GLU OE2 1 1 16 4523 1 1 13 SER C C 8.409 -4.605 0.085 1.00 . A A . 13 SER C 1 1 16 4524 1 1 13 SER CA C 7.262 -4.963 1.063 1.00 . A A . 13 SER CA 1 1 16 4525 1 1 13 SER CB C 6.421 -6.135 0.535 1.00 . A A . 13 SER CB 1 1 16 4526 1 1 13 SER H H 5.370 -3.947 0.880 1.00 . A A . 13 SER H 1 1 16 4527 1 1 13 SER HA H 7.650 -5.185 2.034 1.00 . A A . 13 SER HA 1 1 16 4528 1 1 13 SER HB2 H 5.610 -5.758 -0.072 1.00 . A A . 13 SER HB2 1 1 16 4529 1 1 13 SER HB3 H 7.037 -6.786 -0.066 1.00 . A A . 13 SER HB3 1 1 16 4530 1 1 13 SER HG H 4.941 -6.627 1.702 1.00 . A A . 13 SER HG 1 1 16 4531 1 1 13 SER N N 6.315 -3.820 1.130 1.00 . A A . 13 SER N 1 1 16 4532 1 1 13 SER O O 9.554 -4.927 0.313 1.00 . A A . 13 SER O 1 1 16 4533 1 1 13 SER OG O 5.882 -6.851 1.640 1.00 . A A . 13 SER OG 1 1 16 4534 1 1 14 LEU C C 9.994 -2.376 -1.249 1.00 . A A . 14 LEU C 1 1 16 4535 1 1 14 LEU CA C 9.165 -3.432 -1.929 1.00 . A A . 14 LEU CA 1 1 16 4536 1 1 14 LEU CB C 8.425 -2.818 -3.114 1.00 . A A . 14 LEU CB 1 1 16 4537 1 1 14 LEU CD1 C 6.232 -3.331 -4.112 1.00 . A A . 14 LEU CD1 1 1 16 4538 1 1 14 LEU CD2 C 8.309 -4.220 -5.168 1.00 . A A . 14 LEU CD2 1 1 16 4539 1 1 14 LEU CG C 7.622 -3.884 -3.845 1.00 . A A . 14 LEU CG 1 1 16 4540 1 1 14 LEU H H 7.188 -3.564 -1.080 1.00 . A A . 14 LEU H 1 1 16 4541 1 1 14 LEU HA H 9.778 -4.250 -2.239 1.00 . A A . 14 LEU HA 1 1 16 4542 1 1 14 LEU HB2 H 7.756 -2.048 -2.756 1.00 . A A . 14 LEU HB2 1 1 16 4543 1 1 14 LEU HB3 H 9.139 -2.382 -3.794 1.00 . A A . 14 LEU HB3 1 1 16 4544 1 1 14 LEU HD11 H 5.978 -3.466 -5.148 1.00 . A A . 14 LEU HD11 1 1 16 4545 1 1 14 LEU HD12 H 6.219 -2.276 -3.871 1.00 . A A . 14 LEU HD12 1 1 16 4546 1 1 14 LEU HD13 H 5.517 -3.848 -3.493 1.00 . A A . 14 LEU HD13 1 1 16 4547 1 1 14 LEU HD21 H 8.237 -5.284 -5.347 1.00 . A A . 14 LEU HD21 1 1 16 4548 1 1 14 LEU HD22 H 9.349 -3.928 -5.116 1.00 . A A . 14 LEU HD22 1 1 16 4549 1 1 14 LEU HD23 H 7.822 -3.684 -5.971 1.00 . A A . 14 LEU HD23 1 1 16 4550 1 1 14 LEU HG H 7.546 -4.772 -3.230 1.00 . A A . 14 LEU HG 1 1 16 4551 1 1 14 LEU N N 8.107 -3.875 -0.961 1.00 . A A . 14 LEU N 1 1 16 4552 1 1 14 LEU O O 11.203 -2.352 -1.328 1.00 . A A . 14 LEU O 1 1 16 4553 1 1 15 LYS C C 10.995 -1.250 1.147 1.00 . A A . 15 LYS C 1 1 16 4554 1 1 15 LYS CA C 10.008 -0.500 0.256 1.00 . A A . 15 LYS CA 1 1 16 4555 1 1 15 LYS CB C 8.823 0.085 1.024 1.00 . A A . 15 LYS CB 1 1 16 4556 1 1 15 LYS CD C 8.725 1.647 2.973 1.00 . A A . 15 LYS CD 1 1 16 4557 1 1 15 LYS CE C 9.134 1.854 4.440 1.00 . A A . 15 LYS CE 1 1 16 4558 1 1 15 LYS CG C 9.148 0.252 2.503 1.00 . A A . 15 LYS CG 1 1 16 4559 1 1 15 LYS H H 8.358 -1.626 -0.450 1.00 . A A . 15 LYS H 1 1 16 4560 1 1 15 LYS HA H 10.488 0.234 -0.374 1.00 . A A . 15 LYS HA 1 1 16 4561 1 1 15 LYS HB2 H 8.554 1.020 0.599 1.00 . A A . 15 LYS HB2 1 1 16 4562 1 1 15 LYS HB3 H 7.983 -0.594 0.923 1.00 . A A . 15 LYS HB3 1 1 16 4563 1 1 15 LYS HD2 H 9.206 2.397 2.359 1.00 . A A . 15 LYS HD2 1 1 16 4564 1 1 15 LYS HD3 H 7.655 1.746 2.885 1.00 . A A . 15 LYS HD3 1 1 16 4565 1 1 15 LYS HE2 H 10.201 1.721 4.554 1.00 . A A . 15 LYS HE2 1 1 16 4566 1 1 15 LYS HE3 H 8.842 2.840 4.773 1.00 . A A . 15 LYS HE3 1 1 16 4567 1 1 15 LYS HG2 H 8.611 -0.497 3.062 1.00 . A A . 15 LYS HG2 1 1 16 4568 1 1 15 LYS HG3 H 10.209 0.128 2.653 1.00 . A A . 15 LYS HG3 1 1 16 4569 1 1 15 LYS HZ1 H 8.375 1.075 6.218 1.00 . A A . 15 LYS HZ1 1 1 16 4570 1 1 15 LYS HZ2 H 8.868 -0.104 5.110 1.00 . A A . 15 LYS HZ2 1 1 16 4571 1 1 15 LYS HZ3 H 7.406 0.741 4.857 1.00 . A A . 15 LYS HZ3 1 1 16 4572 1 1 15 LYS N N 9.328 -1.537 -0.526 1.00 . A A . 15 LYS N 1 1 16 4573 1 1 15 LYS NZ N 8.392 0.813 5.213 1.00 . A A . 15 LYS NZ 1 1 16 4574 1 1 15 LYS O O 12.155 -0.911 1.275 1.00 . A A . 15 LYS O 1 1 16 4575 1 1 16 SER C C 12.495 -3.784 1.819 1.00 . A A . 16 SER C 1 1 16 4576 1 1 16 SER CA C 11.309 -3.195 2.600 1.00 . A A . 16 SER CA 1 1 16 4577 1 1 16 SER CB C 10.338 -4.301 3.025 1.00 . A A . 16 SER CB 1 1 16 4578 1 1 16 SER H H 9.548 -2.514 1.561 1.00 . A A . 16 SER H 1 1 16 4579 1 1 16 SER HA H 11.659 -2.667 3.458 1.00 . A A . 16 SER HA 1 1 16 4580 1 1 16 SER HB2 H 9.631 -4.491 2.230 1.00 . A A . 16 SER HB2 1 1 16 4581 1 1 16 SER HB3 H 10.888 -5.211 3.232 1.00 . A A . 16 SER HB3 1 1 16 4582 1 1 16 SER HG H 8.833 -3.406 3.891 1.00 . A A . 16 SER HG 1 1 16 4583 1 1 16 SER N N 10.495 -2.304 1.726 1.00 . A A . 16 SER N 1 1 16 4584 1 1 16 SER O O 13.632 -3.421 2.045 1.00 . A A . 16 SER O 1 1 16 4585 1 1 16 SER OG O 9.628 -3.874 4.184 1.00 . A A . 16 SER OG 1 1 16 4586 1 1 17 PHE C C 13.718 -4.454 -1.110 1.00 . A A . 17 PHE C 1 1 16 4587 1 1 17 PHE CA C 13.381 -5.290 0.133 1.00 . A A . 17 PHE CA 1 1 16 4588 1 1 17 PHE CB C 12.934 -6.718 -0.252 1.00 . A A . 17 PHE CB 1 1 16 4589 1 1 17 PHE CD1 C 11.328 -6.178 -2.155 1.00 . A A . 17 PHE CD1 1 1 16 4590 1 1 17 PHE CD2 C 10.484 -7.377 -0.227 1.00 . A A . 17 PHE CD2 1 1 16 4591 1 1 17 PHE CE1 C 10.049 -6.226 -2.738 1.00 . A A . 17 PHE CE1 1 1 16 4592 1 1 17 PHE CE2 C 9.212 -7.425 -0.812 1.00 . A A . 17 PHE CE2 1 1 16 4593 1 1 17 PHE CG C 11.548 -6.750 -0.895 1.00 . A A . 17 PHE CG 1 1 16 4594 1 1 17 PHE CZ C 8.993 -6.847 -2.063 1.00 . A A . 17 PHE CZ 1 1 16 4595 1 1 17 PHE H H 11.332 -4.975 0.733 1.00 . A A . 17 PHE H 1 1 16 4596 1 1 17 PHE HA H 14.255 -5.356 0.768 1.00 . A A . 17 PHE HA 1 1 16 4597 1 1 17 PHE HB2 H 13.649 -7.123 -0.942 1.00 . A A . 17 PHE HB2 1 1 16 4598 1 1 17 PHE HB3 H 12.925 -7.323 0.638 1.00 . A A . 17 PHE HB3 1 1 16 4599 1 1 17 PHE HD1 H 12.140 -5.696 -2.681 1.00 . A A . 17 PHE HD1 1 1 16 4600 1 1 17 PHE HD2 H 10.642 -7.820 0.742 1.00 . A A . 17 PHE HD2 1 1 16 4601 1 1 17 PHE HE1 H 9.870 -5.766 -3.700 1.00 . A A . 17 PHE HE1 1 1 16 4602 1 1 17 PHE HE2 H 8.391 -7.896 -0.286 1.00 . A A . 17 PHE HE2 1 1 16 4603 1 1 17 PHE HZ H 8.006 -6.884 -2.512 1.00 . A A . 17 PHE HZ 1 1 16 4604 1 1 17 PHE N N 12.250 -4.690 0.907 1.00 . A A . 17 PHE N 1 1 16 4605 1 1 17 PHE O O 13.994 -4.990 -2.168 1.00 . A A . 17 PHE O 1 1 16 4606 1 1 18 NH2 HN1 H 13.518 -2.717 -0.180 1.00 . A A . 18 NH2 HN1 1 1 16 4607 1 1 18 NH2 HN2 H 13.984 -2.620 -1.806 1.00 . A A . 18 NH2 HN2 1 1 16 4608 1 1 18 NH2 N N 13.741 -3.157 -1.024 1.00 . A A . 18 NH2 N 1 1 17 4609 1 1 1 MET C C -11.122 -0.150 -5.803 1.00 . A A . 1 MET C 1 1 17 4610 1 1 1 MET CA C -12.321 -0.186 -6.760 1.00 . A A . 1 MET CA 1 1 17 4611 1 1 1 MET CB C -13.576 0.383 -6.089 1.00 . A A . 1 MET CB 1 1 17 4612 1 1 1 MET CE C -16.561 1.372 -6.307 1.00 . A A . 1 MET CE 1 1 17 4613 1 1 1 MET CG C -13.885 1.769 -6.665 1.00 . A A . 1 MET CG 1 1 17 4614 1 1 1 MET H1 H -11.814 -2.058 -7.511 1.00 . A A . 1 MET H1 1 1 17 4615 1 1 1 MET H2 H -13.433 -1.629 -7.779 1.00 . A A . 1 MET H2 1 1 17 4616 1 1 1 MET H3 H -12.927 -2.111 -6.234 1.00 . A A . 1 MET H3 1 1 17 4617 1 1 1 MET HA H -12.101 0.365 -7.659 1.00 . A A . 1 MET HA 1 1 17 4618 1 1 1 MET HB2 H -14.408 -0.276 -6.269 1.00 . A A . 1 MET HB2 1 1 17 4619 1 1 1 MET HB3 H -13.408 0.469 -5.026 1.00 . A A . 1 MET HB3 1 1 17 4620 1 1 1 MET HE1 H -16.833 1.606 -7.329 1.00 . A A . 1 MET HE1 1 1 17 4621 1 1 1 MET HE2 H -17.430 1.475 -5.668 1.00 . A A . 1 MET HE2 1 1 17 4622 1 1 1 MET HE3 H -16.203 0.358 -6.256 1.00 . A A . 1 MET HE3 1 1 17 4623 1 1 1 MET HG2 H -13.012 2.399 -6.574 1.00 . A A . 1 MET HG2 1 1 17 4624 1 1 1 MET HG3 H -14.156 1.677 -7.708 1.00 . A A . 1 MET HG3 1 1 17 4625 1 1 1 MET N N -12.651 -1.603 -7.096 1.00 . A A . 1 MET N 1 1 17 4626 1 1 1 MET O O -10.280 -1.033 -5.831 1.00 . A A . 1 MET O 1 1 17 4627 1 1 1 MET SD S -15.260 2.506 -5.747 1.00 . A A . 1 MET SD 1 1 17 4628 1 1 2 ALA C C -10.055 -0.142 -2.888 1.00 . A A . 2 ALA C 1 1 17 4629 1 1 2 ALA CA C -9.878 0.910 -3.994 1.00 . A A . 2 ALA CA 1 1 17 4630 1 1 2 ALA CB C -9.919 2.330 -3.417 1.00 . A A . 2 ALA CB 1 1 17 4631 1 1 2 ALA H H -11.721 1.544 -4.927 1.00 . A A . 2 ALA H 1 1 17 4632 1 1 2 ALA HA H -8.948 0.751 -4.519 1.00 . A A . 2 ALA HA 1 1 17 4633 1 1 2 ALA HB1 H -9.412 2.350 -2.463 1.00 . A A . 2 ALA HB1 1 1 17 4634 1 1 2 ALA HB2 H -10.945 2.639 -3.283 1.00 . A A . 2 ALA HB2 1 1 17 4635 1 1 2 ALA HB3 H -9.426 3.009 -4.098 1.00 . A A . 2 ALA HB3 1 1 17 4636 1 1 2 ALA N N -11.030 0.844 -4.948 1.00 . A A . 2 ALA N 1 1 17 4637 1 1 2 ALA O O -10.096 0.173 -1.713 1.00 . A A . 2 ALA O 1 1 17 4638 1 1 3 THR C C -9.055 -3.245 -2.037 1.00 . A A . 3 THR C 1 1 17 4639 1 1 3 THR CA C -10.363 -2.473 -2.257 1.00 . A A . 3 THR CA 1 1 17 4640 1 1 3 THR CB C -11.441 -3.388 -2.865 1.00 . A A . 3 THR CB 1 1 17 4641 1 1 3 THR CG2 C -12.226 -4.072 -1.743 1.00 . A A . 3 THR CG2 1 1 17 4642 1 1 3 THR H H -10.143 -1.610 -4.217 1.00 . A A . 3 THR H 1 1 17 4643 1 1 3 THR HA H -10.717 -2.062 -1.325 1.00 . A A . 3 THR HA 1 1 17 4644 1 1 3 THR HB H -10.967 -4.146 -3.474 1.00 . A A . 3 THR HB 1 1 17 4645 1 1 3 THR HG1 H -12.883 -2.084 -3.098 1.00 . A A . 3 THR HG1 1 1 17 4646 1 1 3 THR HG21 H -11.676 -4.937 -1.398 1.00 . A A . 3 THR HG21 1 1 17 4647 1 1 3 THR HG22 H -13.191 -4.386 -2.113 1.00 . A A . 3 THR HG22 1 1 17 4648 1 1 3 THR HG23 H -12.360 -3.381 -0.921 1.00 . A A . 3 THR HG23 1 1 17 4649 1 1 3 THR N N -10.172 -1.386 -3.262 1.00 . A A . 3 THR N 1 1 17 4650 1 1 3 THR O O -8.891 -3.921 -1.036 1.00 . A A . 3 THR O 1 1 17 4651 1 1 3 THR OG1 O -12.332 -2.619 -3.679 1.00 . A A . 3 THR OG1 1 1 17 4652 1 1 4 LEU C C -5.872 -3.101 -1.890 1.00 . A A . 4 LEU C 1 1 17 4653 1 1 4 LEU CA C -6.829 -3.888 -2.801 1.00 . A A . 4 LEU CA 1 1 17 4654 1 1 4 LEU CB C -6.257 -4.003 -4.228 1.00 . A A . 4 LEU CB 1 1 17 4655 1 1 4 LEU CD1 C -6.296 -6.515 -4.247 1.00 . A A . 4 LEU CD1 1 1 17 4656 1 1 4 LEU CD2 C -8.347 -5.244 -4.887 1.00 . A A . 4 LEU CD2 1 1 17 4657 1 1 4 LEU CG C -6.816 -5.250 -4.935 1.00 . A A . 4 LEU CG 1 1 17 4658 1 1 4 LEU H H -8.278 -2.604 -3.753 1.00 . A A . 4 LEU H 1 1 17 4659 1 1 4 LEU HA H -7.003 -4.872 -2.398 1.00 . A A . 4 LEU HA 1 1 17 4660 1 1 4 LEU HB2 H -6.519 -3.122 -4.798 1.00 . A A . 4 LEU HB2 1 1 17 4661 1 1 4 LEU HB3 H -5.178 -4.080 -4.175 1.00 . A A . 4 LEU HB3 1 1 17 4662 1 1 4 LEU HD11 H -6.763 -6.617 -3.277 1.00 . A A . 4 LEU HD11 1 1 17 4663 1 1 4 LEU HD12 H -5.226 -6.449 -4.125 1.00 . A A . 4 LEU HD12 1 1 17 4664 1 1 4 LEU HD13 H -6.536 -7.379 -4.852 1.00 . A A . 4 LEU HD13 1 1 17 4665 1 1 4 LEU HD21 H -8.726 -6.093 -5.438 1.00 . A A . 4 LEU HD21 1 1 17 4666 1 1 4 LEU HD22 H -8.720 -4.333 -5.332 1.00 . A A . 4 LEU HD22 1 1 17 4667 1 1 4 LEU HD23 H -8.678 -5.305 -3.862 1.00 . A A . 4 LEU HD23 1 1 17 4668 1 1 4 LEU HG H -6.490 -5.250 -5.966 1.00 . A A . 4 LEU HG 1 1 17 4669 1 1 4 LEU N N -8.125 -3.154 -2.957 1.00 . A A . 4 LEU N 1 1 17 4670 1 1 4 LEU O O -4.718 -2.909 -2.215 1.00 . A A . 4 LEU O 1 1 17 4671 1 1 5 GLU C C -4.218 -2.683 0.572 1.00 . A A . 5 GLU C 1 1 17 4672 1 1 5 GLU CA C -5.460 -1.866 0.181 1.00 . A A . 5 GLU CA 1 1 17 4673 1 1 5 GLU CB C -6.324 -1.562 1.418 1.00 . A A . 5 GLU CB 1 1 17 4674 1 1 5 GLU CD C -6.677 -3.127 3.327 1.00 . A A . 5 GLU CD 1 1 17 4675 1 1 5 GLU CG C -7.058 -2.823 1.885 1.00 . A A . 5 GLU CG 1 1 17 4676 1 1 5 GLU H H -7.275 -2.815 -0.513 1.00 . A A . 5 GLU H 1 1 17 4677 1 1 5 GLU HA H -5.157 -0.941 -0.288 1.00 . A A . 5 GLU HA 1 1 17 4678 1 1 5 GLU HB2 H -5.693 -1.203 2.219 1.00 . A A . 5 GLU HB2 1 1 17 4679 1 1 5 GLU HB3 H -7.048 -0.801 1.168 1.00 . A A . 5 GLU HB3 1 1 17 4680 1 1 5 GLU HG2 H -8.123 -2.661 1.821 1.00 . A A . 5 GLU HG2 1 1 17 4681 1 1 5 GLU HG3 H -6.784 -3.660 1.259 1.00 . A A . 5 GLU HG3 1 1 17 4682 1 1 5 GLU N N -6.342 -2.645 -0.753 1.00 . A A . 5 GLU N 1 1 17 4683 1 1 5 GLU O O -3.159 -2.135 0.819 1.00 . A A . 5 GLU O 1 1 17 4684 1 1 5 GLU OE1 O -7.265 -2.534 4.210 1.00 . A A . 5 GLU OE1 1 1 17 4685 1 1 5 GLU OE2 O -5.801 -3.944 3.531 1.00 . A A . 5 GLU OE2 1 1 17 4686 1 1 6 LYS C C -1.993 -4.571 0.066 1.00 . A A . 6 LYS C 1 1 17 4687 1 1 6 LYS CA C -3.164 -4.831 1.010 1.00 . A A . 6 LYS CA 1 1 17 4688 1 1 6 LYS CB C -3.644 -6.274 0.877 1.00 . A A . 6 LYS CB 1 1 17 4689 1 1 6 LYS CD C -4.620 -7.051 3.063 1.00 . A A . 6 LYS CD 1 1 17 4690 1 1 6 LYS CE C -4.245 -6.764 4.526 1.00 . A A . 6 LYS CE 1 1 17 4691 1 1 6 LYS CG C -3.361 -7.039 2.178 1.00 . A A . 6 LYS CG 1 1 17 4692 1 1 6 LYS H H -5.199 -4.403 0.432 1.00 . A A . 6 LYS H 1 1 17 4693 1 1 6 LYS HA H -2.868 -4.624 2.023 1.00 . A A . 6 LYS HA 1 1 17 4694 1 1 6 LYS HB2 H -4.705 -6.284 0.673 1.00 . A A . 6 LYS HB2 1 1 17 4695 1 1 6 LYS HB3 H -3.119 -6.747 0.061 1.00 . A A . 6 LYS HB3 1 1 17 4696 1 1 6 LYS HD2 H -5.318 -6.299 2.719 1.00 . A A . 6 LYS HD2 1 1 17 4697 1 1 6 LYS HD3 H -5.087 -8.020 3.005 1.00 . A A . 6 LYS HD3 1 1 17 4698 1 1 6 LYS HE2 H -5.090 -6.963 5.173 1.00 . A A . 6 LYS HE2 1 1 17 4699 1 1 6 LYS HE3 H -3.397 -7.361 4.822 1.00 . A A . 6 LYS HE3 1 1 17 4700 1 1 6 LYS HG2 H -3.079 -8.053 1.937 1.00 . A A . 6 LYS HG2 1 1 17 4701 1 1 6 LYS HG3 H -2.553 -6.560 2.707 1.00 . A A . 6 LYS HG3 1 1 17 4702 1 1 6 LYS HZ1 H -3.846 -5.002 5.549 1.00 . A A . 6 LYS HZ1 1 1 17 4703 1 1 6 LYS HZ2 H -4.626 -4.763 4.060 1.00 . A A . 6 LYS HZ2 1 1 17 4704 1 1 6 LYS HZ3 H -2.969 -5.169 4.112 1.00 . A A . 6 LYS HZ3 1 1 17 4705 1 1 6 LYS N N -4.338 -3.984 0.632 1.00 . A A . 6 LYS N 1 1 17 4706 1 1 6 LYS NZ N -3.892 -5.320 4.564 1.00 . A A . 6 LYS NZ 1 1 17 4707 1 1 6 LYS O O -0.842 -4.609 0.472 1.00 . A A . 6 LYS O 1 1 17 4708 1 1 7 LEU C C -0.260 -2.919 -1.628 1.00 . A A . 7 LEU C 1 1 17 4709 1 1 7 LEU CA C -1.193 -4.014 -2.164 1.00 . A A . 7 LEU CA 1 1 17 4710 1 1 7 LEU CB C -1.908 -3.554 -3.454 1.00 . A A . 7 LEU CB 1 1 17 4711 1 1 7 LEU CD1 C -0.697 -1.499 -4.244 1.00 . A A . 7 LEU CD1 1 1 17 4712 1 1 7 LEU CD2 C -3.188 -1.590 -4.360 1.00 . A A . 7 LEU CD2 1 1 17 4713 1 1 7 LEU CG C -1.961 -2.015 -3.547 1.00 . A A . 7 LEU CG 1 1 17 4714 1 1 7 LEU H H -3.217 -4.274 -1.465 1.00 . A A . 7 LEU H 1 1 17 4715 1 1 7 LEU HA H -0.634 -4.914 -2.361 1.00 . A A . 7 LEU HA 1 1 17 4716 1 1 7 LEU HB2 H -1.372 -3.942 -4.307 1.00 . A A . 7 LEU HB2 1 1 17 4717 1 1 7 LEU HB3 H -2.913 -3.947 -3.459 1.00 . A A . 7 LEU HB3 1 1 17 4718 1 1 7 LEU HD11 H -0.045 -1.041 -3.514 1.00 . A A . 7 LEU HD11 1 1 17 4719 1 1 7 LEU HD12 H -0.969 -0.766 -4.990 1.00 . A A . 7 LEU HD12 1 1 17 4720 1 1 7 LEU HD13 H -0.184 -2.323 -4.719 1.00 . A A . 7 LEU HD13 1 1 17 4721 1 1 7 LEU HD21 H -2.937 -0.737 -4.973 1.00 . A A . 7 LEU HD21 1 1 17 4722 1 1 7 LEU HD22 H -3.992 -1.326 -3.687 1.00 . A A . 7 LEU HD22 1 1 17 4723 1 1 7 LEU HD23 H -3.503 -2.408 -4.991 1.00 . A A . 7 LEU HD23 1 1 17 4724 1 1 7 LEU HG H -2.024 -1.590 -2.554 1.00 . A A . 7 LEU HG 1 1 17 4725 1 1 7 LEU N N -2.280 -4.296 -1.179 1.00 . A A . 7 LEU N 1 1 17 4726 1 1 7 LEU O O 0.870 -2.800 -2.068 1.00 . A A . 7 LEU O 1 1 17 4727 1 1 8 MET C C 1.259 -1.688 0.731 1.00 . A A . 8 MET C 1 1 17 4728 1 1 8 MET CA C 0.163 -1.053 -0.126 1.00 . A A . 8 MET CA 1 1 17 4729 1 1 8 MET CB C -0.775 -0.115 0.671 1.00 . A A . 8 MET CB 1 1 17 4730 1 1 8 MET CE C -0.483 2.545 2.289 1.00 . A A . 8 MET CE 1 1 17 4731 1 1 8 MET CG C -0.472 -0.157 2.174 1.00 . A A . 8 MET CG 1 1 17 4732 1 1 8 MET H H -1.623 -2.252 -0.326 1.00 . A A . 8 MET H 1 1 17 4733 1 1 8 MET HA H 0.619 -0.509 -0.941 1.00 . A A . 8 MET HA 1 1 17 4734 1 1 8 MET HB2 H -0.644 0.895 0.316 1.00 . A A . 8 MET HB2 1 1 17 4735 1 1 8 MET HB3 H -1.798 -0.417 0.508 1.00 . A A . 8 MET HB3 1 1 17 4736 1 1 8 MET HE1 H -0.856 3.471 2.698 1.00 . A A . 8 MET HE1 1 1 17 4737 1 1 8 MET HE2 H -0.615 2.539 1.217 1.00 . A A . 8 MET HE2 1 1 17 4738 1 1 8 MET HE3 H 0.568 2.447 2.516 1.00 . A A . 8 MET HE3 1 1 17 4739 1 1 8 MET HG2 H -0.774 -1.112 2.576 1.00 . A A . 8 MET HG2 1 1 17 4740 1 1 8 MET HG3 H 0.588 -0.018 2.332 1.00 . A A . 8 MET HG3 1 1 17 4741 1 1 8 MET N N -0.712 -2.128 -0.679 1.00 . A A . 8 MET N 1 1 17 4742 1 1 8 MET O O 2.428 -1.476 0.483 1.00 . A A . 8 MET O 1 1 17 4743 1 1 8 MET SD S -1.385 1.161 3.014 1.00 . A A . 8 MET SD 1 1 17 4744 1 1 9 LYS C C 2.767 -4.058 1.583 1.00 . A A . 9 LYS C 1 1 17 4745 1 1 9 LYS CA C 1.962 -3.171 2.518 1.00 . A A . 9 LYS CA 1 1 17 4746 1 1 9 LYS CB C 1.232 -3.990 3.598 1.00 . A A . 9 LYS CB 1 1 17 4747 1 1 9 LYS CD C 2.872 -3.089 5.303 1.00 . A A . 9 LYS CD 1 1 17 4748 1 1 9 LYS CE C 1.875 -2.314 6.178 1.00 . A A . 9 LYS CE 1 1 17 4749 1 1 9 LYS CG C 2.204 -4.351 4.735 1.00 . A A . 9 LYS CG 1 1 17 4750 1 1 9 LYS H H -0.040 -2.695 1.863 1.00 . A A . 9 LYS H 1 1 17 4751 1 1 9 LYS HA H 2.603 -2.438 2.958 1.00 . A A . 9 LYS HA 1 1 17 4752 1 1 9 LYS HB2 H 0.413 -3.414 3.999 1.00 . A A . 9 LYS HB2 1 1 17 4753 1 1 9 LYS HB3 H 0.846 -4.902 3.157 1.00 . A A . 9 LYS HB3 1 1 17 4754 1 1 9 LYS HD2 H 3.726 -3.377 5.902 1.00 . A A . 9 LYS HD2 1 1 17 4755 1 1 9 LYS HD3 H 3.206 -2.461 4.495 1.00 . A A . 9 LYS HD3 1 1 17 4756 1 1 9 LYS HE2 H 1.033 -2.943 6.423 1.00 . A A . 9 LYS HE2 1 1 17 4757 1 1 9 LYS HE3 H 2.362 -1.969 7.080 1.00 . A A . 9 LYS HE3 1 1 17 4758 1 1 9 LYS HG2 H 1.662 -4.849 5.527 1.00 . A A . 9 LYS HG2 1 1 17 4759 1 1 9 LYS HG3 H 2.966 -5.013 4.353 1.00 . A A . 9 LYS HG3 1 1 17 4760 1 1 9 LYS HZ1 H 2.165 -0.861 4.679 1.00 . A A . 9 LYS HZ1 1 1 17 4761 1 1 9 LYS HZ2 H 1.215 -0.343 5.987 1.00 . A A . 9 LYS HZ2 1 1 17 4762 1 1 9 LYS HZ3 H 0.557 -1.400 4.844 1.00 . A A . 9 LYS HZ3 1 1 17 4763 1 1 9 LYS N N 0.906 -2.500 1.704 1.00 . A A . 9 LYS N 1 1 17 4764 1 1 9 LYS NZ N 1.421 -1.146 5.360 1.00 . A A . 9 LYS NZ 1 1 17 4765 1 1 9 LYS O O 3.977 -4.144 1.683 1.00 . A A . 9 LYS O 1 1 17 4766 1 1 10 ALA C C 3.867 -4.645 -1.003 1.00 . A A . 10 ALA C 1 1 17 4767 1 1 10 ALA CA C 2.800 -5.487 -0.391 1.00 . A A . 10 ALA CA 1 1 17 4768 1 1 10 ALA CB C 1.784 -5.691 -1.505 1.00 . A A . 10 ALA CB 1 1 17 4769 1 1 10 ALA H H 1.131 -4.514 0.563 1.00 . A A . 10 ALA H 1 1 17 4770 1 1 10 ALA HA H 3.175 -6.417 0.004 1.00 . A A . 10 ALA HA 1 1 17 4771 1 1 10 ALA HB1 H 2.280 -5.525 -2.463 1.00 . A A . 10 ALA HB1 1 1 17 4772 1 1 10 ALA HB2 H 0.994 -4.959 -1.403 1.00 . A A . 10 ALA HB2 1 1 17 4773 1 1 10 ALA HB3 H 1.385 -6.675 -1.469 1.00 . A A . 10 ALA HB3 1 1 17 4774 1 1 10 ALA N N 2.098 -4.658 0.634 1.00 . A A . 10 ALA N 1 1 17 4775 1 1 10 ALA O O 5.051 -4.907 -0.934 1.00 . A A . 10 ALA O 1 1 17 4776 1 1 11 PHE C C 5.312 -2.164 -1.370 1.00 . A A . 11 PHE C 1 1 17 4777 1 1 11 PHE CA C 4.259 -2.680 -2.299 1.00 . A A . 11 PHE CA 1 1 17 4778 1 1 11 PHE CB C 3.369 -1.540 -2.677 1.00 . A A . 11 PHE CB 1 1 17 4779 1 1 11 PHE CD1 C 4.808 -0.598 -4.450 1.00 . A A . 11 PHE CD1 1 1 17 4780 1 1 11 PHE CD2 C 4.564 0.582 -2.359 1.00 . A A . 11 PHE CD2 1 1 17 4781 1 1 11 PHE CE1 C 5.672 0.395 -4.923 1.00 . A A . 11 PHE CE1 1 1 17 4782 1 1 11 PHE CE2 C 5.426 1.586 -2.816 1.00 . A A . 11 PHE CE2 1 1 17 4783 1 1 11 PHE CG C 4.265 -0.484 -3.181 1.00 . A A . 11 PHE CG 1 1 17 4784 1 1 11 PHE CZ C 5.980 1.495 -4.106 1.00 . A A . 11 PHE CZ 1 1 17 4785 1 1 11 PHE H H 2.422 -3.467 -1.643 1.00 . A A . 11 PHE H 1 1 17 4786 1 1 11 PHE HA H 4.696 -3.114 -3.175 1.00 . A A . 11 PHE HA 1 1 17 4787 1 1 11 PHE HB2 H 2.667 -1.842 -3.429 1.00 . A A . 11 PHE HB2 1 1 17 4788 1 1 11 PHE HB3 H 2.842 -1.180 -1.806 1.00 . A A . 11 PHE HB3 1 1 17 4789 1 1 11 PHE HD1 H 4.576 -1.481 -5.051 1.00 . A A . 11 PHE HD1 1 1 17 4790 1 1 11 PHE HD2 H 4.137 0.608 -1.354 1.00 . A A . 11 PHE HD2 1 1 17 4791 1 1 11 PHE HE1 H 6.095 0.320 -5.917 1.00 . A A . 11 PHE HE1 1 1 17 4792 1 1 11 PHE HE2 H 5.668 2.420 -2.178 1.00 . A A . 11 PHE HE2 1 1 17 4793 1 1 11 PHE HZ H 6.650 2.265 -4.466 1.00 . A A . 11 PHE HZ 1 1 17 4794 1 1 11 PHE N N 3.393 -3.617 -1.625 1.00 . A A . 11 PHE N 1 1 17 4795 1 1 11 PHE O O 6.467 -2.261 -1.641 1.00 . A A . 11 PHE O 1 1 17 4796 1 1 12 GLU C C 6.968 -2.148 0.912 1.00 . A A . 12 GLU C 1 1 17 4797 1 1 12 GLU CA C 5.934 -1.041 0.632 1.00 . A A . 12 GLU CA 1 1 17 4798 1 1 12 GLU CB C 5.173 -0.649 1.902 1.00 . A A . 12 GLU CB 1 1 17 4799 1 1 12 GLU CD C 3.469 0.888 2.901 1.00 . A A . 12 GLU CD 1 1 17 4800 1 1 12 GLU CG C 4.280 0.575 1.641 1.00 . A A . 12 GLU CG 1 1 17 4801 1 1 12 GLU H H 3.963 -1.492 -0.096 1.00 . A A . 12 GLU H 1 1 17 4802 1 1 12 GLU HA H 6.394 -0.180 0.157 1.00 . A A . 12 GLU HA 1 1 17 4803 1 1 12 GLU HB2 H 4.556 -1.480 2.214 1.00 . A A . 12 GLU HB2 1 1 17 4804 1 1 12 GLU HB3 H 5.875 -0.420 2.679 1.00 . A A . 12 GLU HB3 1 1 17 4805 1 1 12 GLU HG2 H 4.898 1.424 1.384 1.00 . A A . 12 GLU HG2 1 1 17 4806 1 1 12 GLU HG3 H 3.604 0.364 0.825 1.00 . A A . 12 GLU HG3 1 1 17 4807 1 1 12 GLU N N 4.920 -1.585 -0.288 1.00 . A A . 12 GLU N 1 1 17 4808 1 1 12 GLU O O 8.166 -1.943 0.806 1.00 . A A . 12 GLU O 1 1 17 4809 1 1 12 GLU OE1 O 2.882 -0.029 3.453 1.00 . A A . 12 GLU OE1 1 1 17 4810 1 1 12 GLU OE2 O 3.460 2.035 3.308 1.00 . A A . 12 GLU OE2 1 1 17 4811 1 1 13 SER C C 8.207 -4.776 0.124 1.00 . A A . 13 SER C 1 1 17 4812 1 1 13 SER CA C 7.429 -4.490 1.424 1.00 . A A . 13 SER CA 1 1 17 4813 1 1 13 SER CB C 6.522 -5.670 1.774 1.00 . A A . 13 SER CB 1 1 17 4814 1 1 13 SER H H 5.524 -3.482 1.250 1.00 . A A . 13 SER H 1 1 17 4815 1 1 13 SER HA H 8.108 -4.279 2.229 1.00 . A A . 13 SER HA 1 1 17 4816 1 1 13 SER HB2 H 5.744 -5.762 1.029 1.00 . A A . 13 SER HB2 1 1 17 4817 1 1 13 SER HB3 H 7.105 -6.581 1.793 1.00 . A A . 13 SER HB3 1 1 17 4818 1 1 13 SER HG H 5.075 -5.001 2.891 1.00 . A A . 13 SER HG 1 1 17 4819 1 1 13 SER N N 6.498 -3.338 1.206 1.00 . A A . 13 SER N 1 1 17 4820 1 1 13 SER O O 9.235 -5.413 0.134 1.00 . A A . 13 SER O 1 1 17 4821 1 1 13 SER OG O 5.924 -5.440 3.045 1.00 . A A . 13 SER OG 1 1 17 4822 1 1 14 LEU C C 9.226 -3.219 -2.580 1.00 . A A . 14 LEU C 1 1 17 4823 1 1 14 LEU CA C 8.366 -4.460 -2.312 1.00 . A A . 14 LEU CA 1 1 17 4824 1 1 14 LEU CB C 7.166 -4.652 -3.278 1.00 . A A . 14 LEU CB 1 1 17 4825 1 1 14 LEU CD1 C 7.339 -2.513 -4.530 1.00 . A A . 14 LEU CD1 1 1 17 4826 1 1 14 LEU CD2 C 8.687 -4.455 -5.288 1.00 . A A . 14 LEU CD2 1 1 17 4827 1 1 14 LEU CG C 7.369 -4.019 -4.659 1.00 . A A . 14 LEU CG 1 1 17 4828 1 1 14 LEU H H 6.884 -3.765 -0.936 1.00 . A A . 14 LEU H 1 1 17 4829 1 1 14 LEU HA H 8.988 -5.329 -2.298 1.00 . A A . 14 LEU HA 1 1 17 4830 1 1 14 LEU HB2 H 6.991 -5.704 -3.409 1.00 . A A . 14 LEU HB2 1 1 17 4831 1 1 14 LEU HB3 H 6.288 -4.211 -2.825 1.00 . A A . 14 LEU HB3 1 1 17 4832 1 1 14 LEU HD11 H 8.346 -2.144 -4.432 1.00 . A A . 14 LEU HD11 1 1 17 4833 1 1 14 LEU HD12 H 6.766 -2.243 -3.657 1.00 . A A . 14 LEU HD12 1 1 17 4834 1 1 14 LEU HD13 H 6.880 -2.097 -5.405 1.00 . A A . 14 LEU HD13 1 1 17 4835 1 1 14 LEU HD21 H 9.467 -4.454 -4.544 1.00 . A A . 14 LEU HD21 1 1 17 4836 1 1 14 LEU HD22 H 8.945 -3.770 -6.082 1.00 . A A . 14 LEU HD22 1 1 17 4837 1 1 14 LEU HD23 H 8.578 -5.448 -5.695 1.00 . A A . 14 LEU HD23 1 1 17 4838 1 1 14 LEU HG H 6.556 -4.324 -5.305 1.00 . A A . 14 LEU HG 1 1 17 4839 1 1 14 LEU N N 7.707 -4.284 -0.982 1.00 . A A . 14 LEU N 1 1 17 4840 1 1 14 LEU O O 10.321 -3.300 -3.098 1.00 . A A . 14 LEU O 1 1 17 4841 1 1 15 LYS C C 10.862 -1.120 -1.557 1.00 . A A . 15 LYS C 1 1 17 4842 1 1 15 LYS CA C 9.534 -0.833 -2.238 1.00 . A A . 15 LYS CA 1 1 17 4843 1 1 15 LYS CB C 8.658 0.124 -1.417 1.00 . A A . 15 LYS CB 1 1 17 4844 1 1 15 LYS CD C 9.036 2.418 -0.494 1.00 . A A . 15 LYS CD 1 1 17 4845 1 1 15 LYS CE C 10.247 3.353 -0.687 1.00 . A A . 15 LYS CE 1 1 17 4846 1 1 15 LYS CG C 9.505 0.957 -0.466 1.00 . A A . 15 LYS CG 1 1 17 4847 1 1 15 LYS H H 7.913 -2.074 -1.663 1.00 . A A . 15 LYS H 1 1 17 4848 1 1 15 LYS HA H 9.650 -0.501 -3.256 1.00 . A A . 15 LYS HA 1 1 17 4849 1 1 15 LYS HB2 H 8.118 0.756 -2.071 1.00 . A A . 15 LYS HB2 1 1 17 4850 1 1 15 LYS HB3 H 7.953 -0.457 -0.839 1.00 . A A . 15 LYS HB3 1 1 17 4851 1 1 15 LYS HD2 H 8.340 2.554 -1.311 1.00 . A A . 15 LYS HD2 1 1 17 4852 1 1 15 LYS HD3 H 8.542 2.656 0.438 1.00 . A A . 15 LYS HD3 1 1 17 4853 1 1 15 LYS HE2 H 9.950 4.389 -0.558 1.00 . A A . 15 LYS HE2 1 1 17 4854 1 1 15 LYS HE3 H 11.032 3.103 0.013 1.00 . A A . 15 LYS HE3 1 1 17 4855 1 1 15 LYS HG2 H 9.402 0.554 0.532 1.00 . A A . 15 LYS HG2 1 1 17 4856 1 1 15 LYS HG3 H 10.535 0.901 -0.769 1.00 . A A . 15 LYS HG3 1 1 17 4857 1 1 15 LYS HZ1 H 10.029 2.547 -2.606 1.00 . A A . 15 LYS HZ1 1 1 17 4858 1 1 15 LYS HZ2 H 11.628 2.610 -2.063 1.00 . A A . 15 LYS HZ2 1 1 17 4859 1 1 15 LYS HZ3 H 10.849 4.026 -2.571 1.00 . A A . 15 LYS HZ3 1 1 17 4860 1 1 15 LYS N N 8.764 -2.086 -2.137 1.00 . A A . 15 LYS N 1 1 17 4861 1 1 15 LYS NZ N 10.721 3.114 -2.085 1.00 . A A . 15 LYS NZ 1 1 17 4862 1 1 15 LYS O O 11.935 -0.802 -2.033 1.00 . A A . 15 LYS O 1 1 17 4863 1 1 16 SER C C 13.083 -2.634 -0.471 1.00 . A A . 16 SER C 1 1 17 4864 1 1 16 SER CA C 11.896 -2.189 0.392 1.00 . A A . 16 SER CA 1 1 17 4865 1 1 16 SER CB C 11.335 -3.391 1.154 1.00 . A A . 16 SER CB 1 1 17 4866 1 1 16 SER H H 9.823 -1.974 -0.131 1.00 . A A . 16 SER H 1 1 17 4867 1 1 16 SER HA H 12.188 -1.424 1.076 1.00 . A A . 16 SER HA 1 1 17 4868 1 1 16 SER HB2 H 10.581 -3.876 0.549 1.00 . A A . 16 SER HB2 1 1 17 4869 1 1 16 SER HB3 H 12.126 -4.097 1.358 1.00 . A A . 16 SER HB3 1 1 17 4870 1 1 16 SER HG H 9.811 -2.775 2.197 1.00 . A A . 16 SER HG 1 1 17 4871 1 1 16 SER N N 10.736 -1.758 -0.434 1.00 . A A . 16 SER N 1 1 17 4872 1 1 16 SER O O 14.178 -2.110 -0.359 1.00 . A A . 16 SER O 1 1 17 4873 1 1 16 SER OG O 10.744 -2.939 2.367 1.00 . A A . 16 SER OG 1 1 17 4874 1 1 17 PHE C C 13.849 -3.571 -3.599 1.00 . A A . 17 PHE C 1 1 17 4875 1 1 17 PHE CA C 13.969 -4.121 -2.175 1.00 . A A . 17 PHE CA 1 1 17 4876 1 1 17 PHE CB C 13.793 -5.646 -2.158 1.00 . A A . 17 PHE CB 1 1 17 4877 1 1 17 PHE CD1 C 12.044 -5.859 -3.952 1.00 . A A . 17 PHE CD1 1 1 17 4878 1 1 17 PHE CD2 C 11.504 -6.576 -1.705 1.00 . A A . 17 PHE CD2 1 1 17 4879 1 1 17 PHE CE1 C 10.776 -6.232 -4.377 1.00 . A A . 17 PHE CE1 1 1 17 4880 1 1 17 PHE CE2 C 10.228 -6.948 -2.130 1.00 . A A . 17 PHE CE2 1 1 17 4881 1 1 17 PHE CG C 12.412 -6.037 -2.617 1.00 . A A . 17 PHE CG 1 1 17 4882 1 1 17 PHE CZ C 9.860 -6.774 -3.471 1.00 . A A . 17 PHE CZ 1 1 17 4883 1 1 17 PHE H H 11.986 -4.010 -1.369 1.00 . A A . 17 PHE H 1 1 17 4884 1 1 17 PHE HA H 14.929 -3.863 -1.758 1.00 . A A . 17 PHE HA 1 1 17 4885 1 1 17 PHE HB2 H 14.507 -6.084 -2.820 1.00 . A A . 17 PHE HB2 1 1 17 4886 1 1 17 PHE HB3 H 13.949 -6.018 -1.157 1.00 . A A . 17 PHE HB3 1 1 17 4887 1 1 17 PHE HD1 H 12.746 -5.443 -4.658 1.00 . A A . 17 PHE HD1 1 1 17 4888 1 1 17 PHE HD2 H 11.789 -6.703 -0.672 1.00 . A A . 17 PHE HD2 1 1 17 4889 1 1 17 PHE HE1 H 10.488 -6.069 -5.404 1.00 . A A . 17 PHE HE1 1 1 17 4890 1 1 17 PHE HE2 H 9.517 -7.349 -1.420 1.00 . A A . 17 PHE HE2 1 1 17 4891 1 1 17 PHE HZ H 8.875 -7.063 -3.806 1.00 . A A . 17 PHE HZ 1 1 17 4892 1 1 17 PHE N N 12.871 -3.607 -1.312 1.00 . A A . 17 PHE N 1 1 17 4893 1 1 17 PHE O O 12.959 -2.805 -3.900 1.00 . A A . 17 PHE O 1 1 17 4894 1 1 18 NH2 HN1 H 15.441 -4.553 -4.267 1.00 . A A . 18 NH2 HN1 1 1 17 4895 1 1 18 NH2 HN2 H 14.651 -3.581 -5.413 1.00 . A A . 18 NH2 HN2 1 1 17 4896 1 1 18 NH2 N N 14.718 -3.933 -4.500 1.00 . A A . 18 NH2 N 1 1 18 4897 1 1 1 MET C C -10.725 3.465 -0.866 1.00 . A A . 1 MET C 1 1 18 4898 1 1 1 MET CA C -11.844 4.481 -1.115 1.00 . A A . 1 MET CA 1 1 18 4899 1 1 1 MET CB C -12.107 4.628 -2.618 1.00 . A A . 1 MET CB 1 1 18 4900 1 1 1 MET CE C -14.670 1.547 -3.558 1.00 . A A . 1 MET CE 1 1 18 4901 1 1 1 MET CG C -13.385 3.878 -2.996 1.00 . A A . 1 MET CG 1 1 18 4902 1 1 1 MET H1 H -11.248 5.822 0.361 1.00 . A A . 1 MET H1 1 1 18 4903 1 1 1 MET H2 H -12.148 6.532 -0.890 1.00 . A A . 1 MET H2 1 1 18 4904 1 1 1 MET H3 H -10.526 6.086 -1.141 1.00 . A A . 1 MET H3 1 1 18 4905 1 1 1 MET HA H -12.750 4.187 -0.608 1.00 . A A . 1 MET HA 1 1 18 4906 1 1 1 MET HB2 H -12.222 5.674 -2.862 1.00 . A A . 1 MET HB2 1 1 18 4907 1 1 1 MET HB3 H -11.275 4.219 -3.166 1.00 . A A . 1 MET HB3 1 1 18 4908 1 1 1 MET HE1 H -15.253 2.409 -3.855 1.00 . A A . 1 MET HE1 1 1 18 4909 1 1 1 MET HE2 H -15.230 0.956 -2.843 1.00 . A A . 1 MET HE2 1 1 18 4910 1 1 1 MET HE3 H -14.455 0.946 -4.424 1.00 . A A . 1 MET HE3 1 1 18 4911 1 1 1 MET HG2 H -14.195 4.198 -2.356 1.00 . A A . 1 MET HG2 1 1 18 4912 1 1 1 MET HG3 H -13.636 4.091 -4.024 1.00 . A A . 1 MET HG3 1 1 18 4913 1 1 1 MET N N -11.410 5.833 -0.663 1.00 . A A . 1 MET N 1 1 18 4914 1 1 1 MET O O -9.613 3.643 -1.325 1.00 . A A . 1 MET O 1 1 18 4915 1 1 1 MET SD S -13.124 2.098 -2.795 1.00 . A A . 1 MET SD 1 1 18 4916 1 1 2 ALA C C -10.509 -0.021 -0.070 1.00 . A A . 2 ALA C 1 1 18 4917 1 1 2 ALA CA C -9.944 1.390 0.138 1.00 . A A . 2 ALA CA 1 1 18 4918 1 1 2 ALA CB C -9.556 1.616 1.605 1.00 . A A . 2 ALA CB 1 1 18 4919 1 1 2 ALA H H -11.901 2.290 0.220 1.00 . A A . 2 ALA H 1 1 18 4920 1 1 2 ALA HA H -9.089 1.553 -0.499 1.00 . A A . 2 ALA HA 1 1 18 4921 1 1 2 ALA HB1 H -9.324 2.660 1.759 1.00 . A A . 2 ALA HB1 1 1 18 4922 1 1 2 ALA HB2 H -8.689 1.017 1.844 1.00 . A A . 2 ALA HB2 1 1 18 4923 1 1 2 ALA HB3 H -10.380 1.332 2.244 1.00 . A A . 2 ALA HB3 1 1 18 4924 1 1 2 ALA N N -10.999 2.410 -0.140 1.00 . A A . 2 ALA N 1 1 18 4925 1 1 2 ALA O O -10.884 -0.692 0.875 1.00 . A A . 2 ALA O 1 1 18 4926 1 1 3 THR C C -9.992 -2.870 -1.277 1.00 . A A . 3 THR C 1 1 18 4927 1 1 3 THR CA C -11.090 -1.844 -1.560 1.00 . A A . 3 THR CA 1 1 18 4928 1 1 3 THR CB C -11.475 -1.843 -3.046 1.00 . A A . 3 THR CB 1 1 18 4929 1 1 3 THR CG2 C -12.907 -1.330 -3.205 1.00 . A A . 3 THR CG2 1 1 18 4930 1 1 3 THR H H -10.243 0.071 -2.037 1.00 . A A . 3 THR H 1 1 18 4931 1 1 3 THR HA H -11.957 -2.043 -0.948 1.00 . A A . 3 THR HA 1 1 18 4932 1 1 3 THR HB H -11.411 -2.846 -3.434 1.00 . A A . 3 THR HB 1 1 18 4933 1 1 3 THR HG1 H -10.409 -1.417 -4.624 1.00 . A A . 3 THR HG1 1 1 18 4934 1 1 3 THR HG21 H -13.052 -0.472 -2.565 1.00 . A A . 3 THR HG21 1 1 18 4935 1 1 3 THR HG22 H -13.601 -2.109 -2.928 1.00 . A A . 3 THR HG22 1 1 18 4936 1 1 3 THR HG23 H -13.075 -1.047 -4.235 1.00 . A A . 3 THR HG23 1 1 18 4937 1 1 3 THR N N -10.560 -0.479 -1.291 1.00 . A A . 3 THR N 1 1 18 4938 1 1 3 THR O O -10.148 -3.744 -0.442 1.00 . A A . 3 THR O 1 1 18 4939 1 1 3 THR OG1 O -10.585 -0.998 -3.771 1.00 . A A . 3 THR OG1 1 1 18 4940 1 1 4 LEU C C -6.478 -2.967 -1.377 1.00 . A A . 4 LEU C 1 1 18 4941 1 1 4 LEU CA C -7.767 -3.721 -1.722 1.00 . A A . 4 LEU CA 1 1 18 4942 1 1 4 LEU CB C -7.621 -4.473 -3.046 1.00 . A A . 4 LEU CB 1 1 18 4943 1 1 4 LEU CD1 C -8.546 -6.307 -4.468 1.00 . A A . 4 LEU CD1 1 1 18 4944 1 1 4 LEU CD2 C -8.239 -6.678 -2.019 1.00 . A A . 4 LEU CD2 1 1 18 4945 1 1 4 LEU CG C -8.603 -5.645 -3.091 1.00 . A A . 4 LEU CG 1 1 18 4946 1 1 4 LEU H H -8.771 -2.049 -2.618 1.00 . A A . 4 LEU H 1 1 18 4947 1 1 4 LEU HA H -8.026 -4.404 -0.937 1.00 . A A . 4 LEU HA 1 1 18 4948 1 1 4 LEU HB2 H -7.833 -3.795 -3.864 1.00 . A A . 4 LEU HB2 1 1 18 4949 1 1 4 LEU HB3 H -6.611 -4.843 -3.140 1.00 . A A . 4 LEU HB3 1 1 18 4950 1 1 4 LEU HD11 H -8.117 -7.294 -4.377 1.00 . A A . 4 LEU HD11 1 1 18 4951 1 1 4 LEU HD12 H -7.939 -5.709 -5.131 1.00 . A A . 4 LEU HD12 1 1 18 4952 1 1 4 LEU HD13 H -9.546 -6.384 -4.870 1.00 . A A . 4 LEU HD13 1 1 18 4953 1 1 4 LEU HD21 H -9.116 -7.257 -1.769 1.00 . A A . 4 LEU HD21 1 1 18 4954 1 1 4 LEU HD22 H -7.878 -6.172 -1.136 1.00 . A A . 4 LEU HD22 1 1 18 4955 1 1 4 LEU HD23 H -7.470 -7.335 -2.397 1.00 . A A . 4 LEU HD23 1 1 18 4956 1 1 4 LEU HG H -9.605 -5.279 -2.911 1.00 . A A . 4 LEU HG 1 1 18 4957 1 1 4 LEU N N -8.878 -2.762 -1.955 1.00 . A A . 4 LEU N 1 1 18 4958 1 1 4 LEU O O -5.464 -3.121 -2.036 1.00 . A A . 4 LEU O 1 1 18 4959 1 1 5 GLU C C -4.144 -2.377 0.452 1.00 . A A . 5 GLU C 1 1 18 4960 1 1 5 GLU CA C -5.264 -1.404 0.038 1.00 . A A . 5 GLU CA 1 1 18 4961 1 1 5 GLU CB C -5.672 -0.506 1.214 1.00 . A A . 5 GLU CB 1 1 18 4962 1 1 5 GLU CD C -5.945 -0.594 3.697 1.00 . A A . 5 GLU CD 1 1 18 4963 1 1 5 GLU CG C -6.173 -1.355 2.393 1.00 . A A . 5 GLU CG 1 1 18 4964 1 1 5 GLU H H -7.324 -2.057 0.175 1.00 . A A . 5 GLU H 1 1 18 4965 1 1 5 GLU HA H -4.937 -0.793 -0.789 1.00 . A A . 5 GLU HA 1 1 18 4966 1 1 5 GLU HB2 H -4.818 0.075 1.527 1.00 . A A . 5 GLU HB2 1 1 18 4967 1 1 5 GLU HB3 H -6.459 0.161 0.894 1.00 . A A . 5 GLU HB3 1 1 18 4968 1 1 5 GLU HG2 H -7.226 -1.557 2.271 1.00 . A A . 5 GLU HG2 1 1 18 4969 1 1 5 GLU HG3 H -5.629 -2.288 2.424 1.00 . A A . 5 GLU HG3 1 1 18 4970 1 1 5 GLU N N -6.501 -2.160 -0.347 1.00 . A A . 5 GLU N 1 1 18 4971 1 1 5 GLU O O -2.993 -2.000 0.524 1.00 . A A . 5 GLU O 1 1 18 4972 1 1 5 GLU OE1 O -4.800 -0.442 4.083 1.00 . A A . 5 GLU OE1 1 1 18 4973 1 1 5 GLU OE2 O -6.917 -0.172 4.288 1.00 . A A . 5 GLU OE2 1 1 18 4974 1 1 6 LYS C C -2.248 -4.584 0.170 1.00 . A A . 6 LYS C 1 1 18 4975 1 1 6 LYS CA C -3.447 -4.627 1.118 1.00 . A A . 6 LYS CA 1 1 18 4976 1 1 6 LYS CB C -4.150 -5.979 1.007 1.00 . A A . 6 LYS CB 1 1 18 4977 1 1 6 LYS CD C -5.095 -7.856 2.384 1.00 . A A . 6 LYS CD 1 1 18 4978 1 1 6 LYS CE C -4.462 -9.088 3.043 1.00 . A A . 6 LYS CE 1 1 18 4979 1 1 6 LYS CG C -4.081 -6.705 2.353 1.00 . A A . 6 LYS CG 1 1 18 4980 1 1 6 LYS H H -5.416 -3.887 0.651 1.00 . A A . 6 LYS H 1 1 18 4981 1 1 6 LYS HA H -3.123 -4.451 2.130 1.00 . A A . 6 LYS HA 1 1 18 4982 1 1 6 LYS HB2 H -5.182 -5.823 0.730 1.00 . A A . 6 LYS HB2 1 1 18 4983 1 1 6 LYS HB3 H -3.660 -6.569 0.249 1.00 . A A . 6 LYS HB3 1 1 18 4984 1 1 6 LYS HD2 H -5.964 -7.554 2.953 1.00 . A A . 6 LYS HD2 1 1 18 4985 1 1 6 LYS HD3 H -5.397 -8.104 1.377 1.00 . A A . 6 LYS HD3 1 1 18 4986 1 1 6 LYS HE2 H -3.931 -8.802 3.942 1.00 . A A . 6 LYS HE2 1 1 18 4987 1 1 6 LYS HE3 H -5.216 -9.825 3.270 1.00 . A A . 6 LYS HE3 1 1 18 4988 1 1 6 LYS HG2 H -3.086 -7.096 2.497 1.00 . A A . 6 LYS HG2 1 1 18 4989 1 1 6 LYS HG3 H -4.311 -6.010 3.149 1.00 . A A . 6 LYS HG3 1 1 18 4990 1 1 6 LYS HZ1 H -2.956 -8.854 1.617 1.00 . A A . 6 LYS HZ1 1 1 18 4991 1 1 6 LYS HZ2 H -4.047 -10.104 1.273 1.00 . A A . 6 LYS HZ2 1 1 18 4992 1 1 6 LYS HZ3 H -2.875 -10.310 2.478 1.00 . A A . 6 LYS HZ3 1 1 18 4993 1 1 6 LYS N N -4.478 -3.618 0.716 1.00 . A A . 6 LYS N 1 1 18 4994 1 1 6 LYS NZ N -3.516 -9.629 2.026 1.00 . A A . 6 LYS NZ 1 1 18 4995 1 1 6 LYS O O -1.117 -4.766 0.587 1.00 . A A . 6 LYS O 1 1 18 4996 1 1 7 LEU C C -0.314 -3.226 -1.605 1.00 . A A . 7 LEU C 1 1 18 4997 1 1 7 LEU CA C -1.348 -4.272 -2.065 1.00 . A A . 7 LEU CA 1 1 18 4998 1 1 7 LEU CB C -1.985 -3.866 -3.407 1.00 . A A . 7 LEU CB 1 1 18 4999 1 1 7 LEU CD1 C -1.030 -1.668 -4.166 1.00 . A A . 7 LEU CD1 1 1 18 5000 1 1 7 LEU CD2 C -3.497 -2.053 -4.238 1.00 . A A . 7 LEU CD2 1 1 18 5001 1 1 7 LEU CG C -2.211 -2.346 -3.461 1.00 . A A . 7 LEU CG 1 1 18 5002 1 1 7 LEU H H -3.397 -4.202 -1.399 1.00 . A A . 7 LEU H 1 1 18 5003 1 1 7 LEU HA H -0.883 -5.239 -2.161 1.00 . A A . 7 LEU HA 1 1 18 5004 1 1 7 LEU HB2 H -1.328 -4.161 -4.217 1.00 . A A . 7 LEU HB2 1 1 18 5005 1 1 7 LEU HB3 H -2.933 -4.373 -3.516 1.00 . A A . 7 LEU HB3 1 1 18 5006 1 1 7 LEU HD11 H -0.112 -2.189 -3.923 1.00 . A A . 7 LEU HD11 1 1 18 5007 1 1 7 LEU HD12 H -0.956 -0.642 -3.842 1.00 . A A . 7 LEU HD12 1 1 18 5008 1 1 7 LEU HD13 H -1.185 -1.695 -5.233 1.00 . A A . 7 LEU HD13 1 1 18 5009 1 1 7 LEU HD21 H -3.761 -1.012 -4.119 1.00 . A A . 7 LEU HD21 1 1 18 5010 1 1 7 LEU HD22 H -4.296 -2.672 -3.858 1.00 . A A . 7 LEU HD22 1 1 18 5011 1 1 7 LEU HD23 H -3.341 -2.268 -5.283 1.00 . A A . 7 LEU HD23 1 1 18 5012 1 1 7 LEU HG H -2.302 -1.959 -2.461 1.00 . A A . 7 LEU HG 1 1 18 5013 1 1 7 LEU N N -2.479 -4.342 -1.092 1.00 . A A . 7 LEU N 1 1 18 5014 1 1 7 LEU O O 0.804 -3.205 -2.082 1.00 . A A . 7 LEU O 1 1 18 5015 1 1 8 MET C C 1.325 -1.982 0.712 1.00 . A A . 8 MET C 1 1 18 5016 1 1 8 MET CA C 0.289 -1.329 -0.198 1.00 . A A . 8 MET CA 1 1 18 5017 1 1 8 MET CB C -0.545 -0.306 0.575 1.00 . A A . 8 MET CB 1 1 18 5018 1 1 8 MET CE C -1.375 3.161 -0.835 1.00 . A A . 8 MET CE 1 1 18 5019 1 1 8 MET CG C -1.428 0.484 -0.397 1.00 . A A . 8 MET CG 1 1 18 5020 1 1 8 MET H H -1.578 -2.401 -0.295 1.00 . A A . 8 MET H 1 1 18 5021 1 1 8 MET HA H 0.776 -0.856 -1.045 1.00 . A A . 8 MET HA 1 1 18 5022 1 1 8 MET HB2 H -1.169 -0.821 1.290 1.00 . A A . 8 MET HB2 1 1 18 5023 1 1 8 MET HB3 H 0.112 0.375 1.096 1.00 . A A . 8 MET HB3 1 1 18 5024 1 1 8 MET HE1 H -2.136 3.331 -1.586 1.00 . A A . 8 MET HE1 1 1 18 5025 1 1 8 MET HE2 H -0.720 4.020 -0.779 1.00 . A A . 8 MET HE2 1 1 18 5026 1 1 8 MET HE3 H -1.847 3.010 0.121 1.00 . A A . 8 MET HE3 1 1 18 5027 1 1 8 MET HG2 H -1.883 -0.191 -1.105 1.00 . A A . 8 MET HG2 1 1 18 5028 1 1 8 MET HG3 H -2.199 0.999 0.158 1.00 . A A . 8 MET HG3 1 1 18 5029 1 1 8 MET N N -0.675 -2.361 -0.681 1.00 . A A . 8 MET N 1 1 18 5030 1 1 8 MET O O 2.510 -1.825 0.500 1.00 . A A . 8 MET O 1 1 18 5031 1 1 8 MET SD S -0.415 1.693 -1.283 1.00 . A A . 8 MET SD 1 1 18 5032 1 1 9 LYS C C 2.778 -4.287 1.686 1.00 . A A . 9 LYS C 1 1 18 5033 1 1 9 LYS CA C 1.912 -3.414 2.580 1.00 . A A . 9 LYS CA 1 1 18 5034 1 1 9 LYS CB C 1.105 -4.259 3.571 1.00 . A A . 9 LYS CB 1 1 18 5035 1 1 9 LYS CD C 1.329 -3.609 5.977 1.00 . A A . 9 LYS CD 1 1 18 5036 1 1 9 LYS CE C 2.367 -3.449 7.098 1.00 . A A . 9 LYS CE 1 1 18 5037 1 1 9 LYS CG C 1.914 -4.467 4.852 1.00 . A A . 9 LYS CG 1 1 18 5038 1 1 9 LYS H H -0.052 -2.874 1.849 1.00 . A A . 9 LYS H 1 1 18 5039 1 1 9 LYS HA H 2.522 -2.694 3.093 1.00 . A A . 9 LYS HA 1 1 18 5040 1 1 9 LYS HB2 H 0.179 -3.757 3.808 1.00 . A A . 9 LYS HB2 1 1 18 5041 1 1 9 LYS HB3 H 0.889 -5.216 3.127 1.00 . A A . 9 LYS HB3 1 1 18 5042 1 1 9 LYS HD2 H 1.060 -2.636 5.588 1.00 . A A . 9 LYS HD2 1 1 18 5043 1 1 9 LYS HD3 H 0.451 -4.096 6.374 1.00 . A A . 9 LYS HD3 1 1 18 5044 1 1 9 LYS HE2 H 2.522 -4.396 7.591 1.00 . A A . 9 LYS HE2 1 1 18 5045 1 1 9 LYS HE3 H 3.300 -3.073 6.703 1.00 . A A . 9 LYS HE3 1 1 18 5046 1 1 9 LYS HG2 H 1.871 -5.509 5.135 1.00 . A A . 9 LYS HG2 1 1 18 5047 1 1 9 LYS HG3 H 2.946 -4.183 4.684 1.00 . A A . 9 LYS HG3 1 1 18 5048 1 1 9 LYS HZ1 H 2.531 -2.061 8.637 1.00 . A A . 9 LYS HZ1 1 1 18 5049 1 1 9 LYS HZ2 H 1.074 -2.929 8.646 1.00 . A A . 9 LYS HZ2 1 1 18 5050 1 1 9 LYS HZ3 H 1.320 -1.693 7.509 1.00 . A A . 9 LYS HZ3 1 1 18 5051 1 1 9 LYS N N 0.907 -2.736 1.703 1.00 . A A . 9 LYS N 1 1 18 5052 1 1 9 LYS NZ N 1.777 -2.460 8.043 1.00 . A A . 9 LYS NZ 1 1 18 5053 1 1 9 LYS O O 3.983 -4.336 1.821 1.00 . A A . 9 LYS O 1 1 18 5054 1 1 10 ALA C C 3.922 -4.888 -0.934 1.00 . A A . 10 ALA C 1 1 18 5055 1 1 10 ALA CA C 2.898 -5.748 -0.251 1.00 . A A . 10 ALA CA 1 1 18 5056 1 1 10 ALA CB C 1.869 -6.056 -1.327 1.00 . A A . 10 ALA CB 1 1 18 5057 1 1 10 ALA H H 1.186 -4.810 0.647 1.00 . A A . 10 ALA H 1 1 18 5058 1 1 10 ALA HA H 3.325 -6.643 0.178 1.00 . A A . 10 ALA HA 1 1 18 5059 1 1 10 ALA HB1 H 1.192 -5.210 -1.407 1.00 . A A . 10 ALA HB1 1 1 18 5060 1 1 10 ALA HB2 H 1.328 -6.939 -1.084 1.00 . A A . 10 ALA HB2 1 1 18 5061 1 1 10 ALA HB3 H 2.379 -6.176 -2.276 1.00 . A A . 10 ALA HB3 1 1 18 5062 1 1 10 ALA N N 2.156 -4.919 0.738 1.00 . A A . 10 ALA N 1 1 18 5063 1 1 10 ALA O O 5.118 -5.080 -0.847 1.00 . A A . 10 ALA O 1 1 18 5064 1 1 11 PHE C C 5.222 -2.337 -1.553 1.00 . A A . 11 PHE C 1 1 18 5065 1 1 11 PHE CA C 4.224 -3.042 -2.419 1.00 . A A . 11 PHE CA 1 1 18 5066 1 1 11 PHE CB C 3.265 -2.020 -2.945 1.00 . A A . 11 PHE CB 1 1 18 5067 1 1 11 PHE CD1 C 4.674 -1.327 -4.843 1.00 . A A . 11 PHE CD1 1 1 18 5068 1 1 11 PHE CD2 C 4.308 0.200 -3.006 1.00 . A A . 11 PHE CD2 1 1 18 5069 1 1 11 PHE CE1 C 5.478 -0.376 -5.480 1.00 . A A . 11 PHE CE1 1 1 18 5070 1 1 11 PHE CE2 C 5.108 1.159 -3.625 1.00 . A A . 11 PHE CE2 1 1 18 5071 1 1 11 PHE CG C 4.100 -1.016 -3.623 1.00 . A A . 11 PHE CG 1 1 18 5072 1 1 11 PHE CZ C 5.694 0.874 -4.871 1.00 . A A . 11 PHE CZ 1 1 18 5073 1 1 11 PHE H H 2.424 -3.864 -1.705 1.00 . A A . 11 PHE H 1 1 18 5074 1 1 11 PHE HA H 4.708 -3.543 -3.232 1.00 . A A . 11 PHE HA 1 1 18 5075 1 1 11 PHE HB2 H 2.566 -2.470 -3.623 1.00 . A A . 11 PHE HB2 1 1 18 5076 1 1 11 PHE HB3 H 2.736 -1.556 -2.126 1.00 . A A . 11 PHE HB3 1 1 18 5077 1 1 11 PHE HD1 H 4.507 -2.320 -5.274 1.00 . A A . 11 PHE HD1 1 1 18 5078 1 1 11 PHE HD2 H 3.866 0.378 -2.024 1.00 . A A . 11 PHE HD2 1 1 18 5079 1 1 11 PHE HE1 H 5.935 -0.598 -6.434 1.00 . A A . 11 PHE HE1 1 1 18 5080 1 1 11 PHE HE2 H 5.272 2.120 -3.155 1.00 . A A . 11 PHE HE2 1 1 18 5081 1 1 11 PHE HZ H 6.316 1.615 -5.354 1.00 . A A . 11 PHE HZ 1 1 18 5082 1 1 11 PHE N N 3.401 -3.952 -1.656 1.00 . A A . 11 PHE N 1 1 18 5083 1 1 11 PHE O O 6.393 -2.392 -1.792 1.00 . A A . 11 PHE O 1 1 18 5084 1 1 12 GLU C C 6.818 -1.861 0.726 1.00 . A A . 12 GLU C 1 1 18 5085 1 1 12 GLU CA C 5.725 -0.891 0.262 1.00 . A A . 12 GLU CA 1 1 18 5086 1 1 12 GLU CB C 4.920 -0.338 1.437 1.00 . A A . 12 GLU CB 1 1 18 5087 1 1 12 GLU CD C 5.086 2.091 1.920 1.00 . A A . 12 GLU CD 1 1 18 5088 1 1 12 GLU CG C 4.372 1.044 1.079 1.00 . A A . 12 GLU CG 1 1 18 5089 1 1 12 GLU H H 3.802 -1.568 -0.418 1.00 . A A . 12 GLU H 1 1 18 5090 1 1 12 GLU HA H 6.142 -0.087 -0.339 1.00 . A A . 12 GLU HA 1 1 18 5091 1 1 12 GLU HB2 H 4.101 -1.006 1.659 1.00 . A A . 12 GLU HB2 1 1 18 5092 1 1 12 GLU HB3 H 5.556 -0.255 2.301 1.00 . A A . 12 GLU HB3 1 1 18 5093 1 1 12 GLU HG2 H 4.539 1.245 0.029 1.00 . A A . 12 GLU HG2 1 1 18 5094 1 1 12 GLU HG3 H 3.315 1.076 1.291 1.00 . A A . 12 GLU HG3 1 1 18 5095 1 1 12 GLU N N 4.770 -1.633 -0.577 1.00 . A A . 12 GLU N 1 1 18 5096 1 1 12 GLU O O 7.997 -1.564 0.660 1.00 . A A . 12 GLU O 1 1 18 5097 1 1 12 GLU OE1 O 4.658 2.317 3.035 1.00 . A A . 12 GLU OE1 1 1 18 5098 1 1 12 GLU OE2 O 6.059 2.642 1.444 1.00 . A A . 12 GLU OE2 1 1 18 5099 1 1 13 SER C C 8.349 -4.390 0.313 1.00 . A A . 13 SER C 1 1 18 5100 1 1 13 SER CA C 7.444 -4.069 1.527 1.00 . A A . 13 SER CA 1 1 18 5101 1 1 13 SER CB C 6.618 -5.295 1.934 1.00 . A A . 13 SER CB 1 1 18 5102 1 1 13 SER H H 5.470 -3.272 1.145 1.00 . A A . 13 SER H 1 1 18 5103 1 1 13 SER HA H 8.033 -3.715 2.352 1.00 . A A . 13 SER HA 1 1 18 5104 1 1 13 SER HB2 H 5.837 -5.465 1.204 1.00 . A A . 13 SER HB2 1 1 18 5105 1 1 13 SER HB3 H 7.255 -6.166 1.980 1.00 . A A . 13 SER HB3 1 1 18 5106 1 1 13 SER HG H 5.097 -4.813 3.048 1.00 . A A . 13 SER HG 1 1 18 5107 1 1 13 SER N N 6.431 -3.046 1.131 1.00 . A A . 13 SER N 1 1 18 5108 1 1 13 SER O O 9.445 -4.894 0.453 1.00 . A A . 13 SER O 1 1 18 5109 1 1 13 SER OG O 6.022 -5.053 3.203 1.00 . A A . 13 SER OG 1 1 18 5110 1 1 14 LEU C C 9.360 -2.988 -2.488 1.00 . A A . 14 LEU C 1 1 18 5111 1 1 14 LEU CA C 8.664 -4.298 -2.118 1.00 . A A . 14 LEU CA 1 1 18 5112 1 1 14 LEU CB C 7.568 -4.763 -3.122 1.00 . A A . 14 LEU CB 1 1 18 5113 1 1 14 LEU CD1 C 7.523 -2.728 -4.595 1.00 . A A . 14 LEU CD1 1 1 18 5114 1 1 14 LEU CD2 C 9.152 -4.549 -5.087 1.00 . A A . 14 LEU CD2 1 1 18 5115 1 1 14 LEU CG C 7.755 -4.233 -4.557 1.00 . A A . 14 LEU CG 1 1 18 5116 1 1 14 LEU H H 7.008 -3.646 -0.933 1.00 . A A . 14 LEU H 1 1 18 5117 1 1 14 LEU HA H 9.396 -5.064 -1.965 1.00 . A A . 14 LEU HA 1 1 18 5118 1 1 14 LEU HB2 H 7.562 -5.840 -3.154 1.00 . A A . 14 LEU HB2 1 1 18 5119 1 1 14 LEU HB3 H 6.605 -4.427 -2.755 1.00 . A A . 14 LEU HB3 1 1 18 5120 1 1 14 LEU HD11 H 6.889 -2.440 -3.773 1.00 . A A . 14 LEU HD11 1 1 18 5121 1 1 14 LEU HD12 H 7.045 -2.460 -5.524 1.00 . A A . 14 LEU HD12 1 1 18 5122 1 1 14 LEU HD13 H 8.469 -2.220 -4.517 1.00 . A A . 14 LEU HD13 1 1 18 5123 1 1 14 LEU HD21 H 9.889 -4.091 -4.454 1.00 . A A . 14 LEU HD21 1 1 18 5124 1 1 14 LEU HD22 H 9.253 -4.164 -6.089 1.00 . A A . 14 LEU HD22 1 1 18 5125 1 1 14 LEU HD23 H 9.303 -5.618 -5.099 1.00 . A A . 14 LEU HD23 1 1 18 5126 1 1 14 LEU HG H 7.023 -4.708 -5.194 1.00 . A A . 14 LEU HG 1 1 18 5127 1 1 14 LEU N N 7.886 -4.072 -0.865 1.00 . A A . 14 LEU N 1 1 18 5128 1 1 14 LEU O O 10.494 -2.968 -2.919 1.00 . A A . 14 LEU O 1 1 18 5129 1 1 15 LYS C C 10.601 -0.558 -1.650 1.00 . A A . 15 LYS C 1 1 18 5130 1 1 15 LYS CA C 9.309 -0.564 -2.450 1.00 . A A . 15 LYS CA 1 1 18 5131 1 1 15 LYS CB C 8.246 0.354 -1.840 1.00 . A A . 15 LYS CB 1 1 18 5132 1 1 15 LYS CD C 8.222 2.766 -1.167 1.00 . A A . 15 LYS CD 1 1 18 5133 1 1 15 LYS CE C 8.880 3.826 -0.282 1.00 . A A . 15 LYS CE 1 1 18 5134 1 1 15 LYS CG C 8.871 1.398 -0.921 1.00 . A A . 15 LYS CG 1 1 18 5135 1 1 15 LYS H H 7.825 -1.945 -1.820 1.00 . A A . 15 LYS H 1 1 18 5136 1 1 15 LYS HA H 9.466 -0.359 -3.497 1.00 . A A . 15 LYS HA 1 1 18 5137 1 1 15 LYS HB2 H 7.710 0.831 -2.615 1.00 . A A . 15 LYS HB2 1 1 18 5138 1 1 15 LYS HB3 H 7.559 -0.245 -1.263 1.00 . A A . 15 LYS HB3 1 1 18 5139 1 1 15 LYS HD2 H 8.347 3.042 -2.203 1.00 . A A . 15 LYS HD2 1 1 18 5140 1 1 15 LYS HD3 H 7.170 2.713 -0.936 1.00 . A A . 15 LYS HD3 1 1 18 5141 1 1 15 LYS HE2 H 9.956 3.808 -0.407 1.00 . A A . 15 LYS HE2 1 1 18 5142 1 1 15 LYS HE3 H 8.492 4.805 -0.518 1.00 . A A . 15 LYS HE3 1 1 18 5143 1 1 15 LYS HG2 H 8.706 1.097 0.101 1.00 . A A . 15 LYS HG2 1 1 18 5144 1 1 15 LYS HG3 H 9.928 1.456 -1.115 1.00 . A A . 15 LYS HG3 1 1 18 5145 1 1 15 LYS HZ1 H 8.615 4.292 1.728 1.00 . A A . 15 LYS HZ1 1 1 18 5146 1 1 15 LYS HZ2 H 9.146 2.705 1.452 1.00 . A A . 15 LYS HZ2 1 1 18 5147 1 1 15 LYS HZ3 H 7.521 3.123 1.150 1.00 . A A . 15 LYS HZ3 1 1 18 5148 1 1 15 LYS N N 8.707 -1.893 -2.231 1.00 . A A . 15 LYS N 1 1 18 5149 1 1 15 LYS NZ N 8.514 3.458 1.116 1.00 . A A . 15 LYS NZ 1 1 18 5150 1 1 15 LYS O O 11.644 -0.103 -2.080 1.00 . A A . 15 LYS O 1 1 18 5151 1 1 16 SER C C 12.926 -1.581 -0.257 1.00 . A A . 16 SER C 1 1 18 5152 1 1 16 SER CA C 11.620 -1.248 0.475 1.00 . A A . 16 SER CA 1 1 18 5153 1 1 16 SER CB C 11.187 -2.438 1.338 1.00 . A A . 16 SER CB 1 1 18 5154 1 1 16 SER H H 9.596 -1.444 -0.219 1.00 . A A . 16 SER H 1 1 18 5155 1 1 16 SER HA H 11.735 -0.373 1.083 1.00 . A A . 16 SER HA 1 1 18 5156 1 1 16 SER HB2 H 10.400 -2.979 0.831 1.00 . A A . 16 SER HB2 1 1 18 5157 1 1 16 SER HB3 H 12.029 -3.106 1.479 1.00 . A A . 16 SER HB3 1 1 18 5158 1 1 16 SER HG H 10.007 -1.326 2.426 1.00 . A A . 16 SER HG 1 1 18 5159 1 1 16 SER N N 10.484 -1.102 -0.476 1.00 . A A . 16 SER N 1 1 18 5160 1 1 16 SER O O 13.831 -0.772 -0.349 1.00 . A A . 16 SER O 1 1 18 5161 1 1 16 SER OG O 10.702 -1.972 2.595 1.00 . A A . 16 SER OG 1 1 18 5162 1 1 17 PHE C C 14.256 -2.709 -2.922 1.00 . A A . 17 PHE C 1 1 18 5163 1 1 17 PHE CA C 14.253 -3.211 -1.471 1.00 . A A . 17 PHE CA 1 1 18 5164 1 1 17 PHE CB C 14.224 -4.748 -1.408 1.00 . A A . 17 PHE CB 1 1 18 5165 1 1 17 PHE CD1 C 12.686 -5.175 -3.350 1.00 . A A . 17 PHE CD1 1 1 18 5166 1 1 17 PHE CD2 C 12.037 -5.956 -1.150 1.00 . A A . 17 PHE CD2 1 1 18 5167 1 1 17 PHE CE1 C 11.510 -5.700 -3.880 1.00 . A A . 17 PHE CE1 1 1 18 5168 1 1 17 PHE CE2 C 10.867 -6.489 -1.681 1.00 . A A . 17 PHE CE2 1 1 18 5169 1 1 17 PHE CG C 12.950 -5.302 -1.985 1.00 . A A . 17 PHE CG 1 1 18 5170 1 1 17 PHE CZ C 10.599 -6.361 -3.046 1.00 . A A . 17 PHE CZ 1 1 18 5171 1 1 17 PHE H H 12.280 -3.400 -0.656 1.00 . A A . 17 PHE H 1 1 18 5172 1 1 17 PHE HA H 15.123 -2.846 -0.955 1.00 . A A . 17 PHE HA 1 1 18 5173 1 1 17 PHE HB2 H 15.047 -5.139 -1.967 1.00 . A A . 17 PHE HB2 1 1 18 5174 1 1 17 PHE HB3 H 14.304 -5.063 -0.379 1.00 . A A . 17 PHE HB3 1 1 18 5175 1 1 17 PHE HD1 H 13.387 -4.667 -3.992 1.00 . A A . 17 PHE HD1 1 1 18 5176 1 1 17 PHE HD2 H 12.244 -6.053 -0.097 1.00 . A A . 17 PHE HD2 1 1 18 5177 1 1 17 PHE HE1 H 11.293 -5.584 -4.931 1.00 . A A . 17 PHE HE1 1 1 18 5178 1 1 17 PHE HE2 H 10.154 -6.976 -1.029 1.00 . A A . 17 PHE HE2 1 1 18 5179 1 1 17 PHE HZ H 9.690 -6.779 -3.462 1.00 . A A . 17 PHE HZ 1 1 18 5180 1 1 17 PHE N N 13.023 -2.778 -0.759 1.00 . A A . 17 PHE N 1 1 18 5181 1 1 17 PHE O O 13.472 -1.859 -3.290 1.00 . A A . 17 PHE O 1 1 18 5182 1 1 18 NH2 HN1 H 15.755 -3.887 -3.473 1.00 . A A . 18 NH2 HN1 1 1 18 5183 1 1 18 NH2 HN2 H 15.134 -2.885 -4.691 1.00 . A A . 18 NH2 HN2 1 1 18 5184 1 1 18 NH2 N N 15.119 -3.201 -3.765 1.00 . A A . 18 NH2 N 1 1 19 5185 1 1 1 MET C C -5.217 -5.780 -7.169 1.00 . A A . 1 MET C 1 1 19 5186 1 1 1 MET CA C -4.917 -5.774 -8.669 1.00 . A A . 1 MET CA 1 1 19 5187 1 1 1 MET CB C -3.400 -5.818 -8.904 1.00 . A A . 1 MET CB 1 1 19 5188 1 1 1 MET CE C -4.741 -6.851 -12.419 1.00 . A A . 1 MET CE 1 1 19 5189 1 1 1 MET CG C -3.098 -6.157 -10.369 1.00 . A A . 1 MET CG 1 1 19 5190 1 1 1 MET H1 H -6.392 -4.578 -9.525 1.00 . A A . 1 MET H1 1 1 19 5191 1 1 1 MET H2 H -4.835 -4.252 -10.097 1.00 . A A . 1 MET H2 1 1 19 5192 1 1 1 MET H3 H -5.299 -3.732 -8.546 1.00 . A A . 1 MET H3 1 1 19 5193 1 1 1 MET HA H -5.394 -6.607 -9.153 1.00 . A A . 1 MET HA 1 1 19 5194 1 1 1 MET HB2 H -2.976 -4.856 -8.663 1.00 . A A . 1 MET HB2 1 1 19 5195 1 1 1 MET HB3 H -2.961 -6.571 -8.267 1.00 . A A . 1 MET HB3 1 1 19 5196 1 1 1 MET HE1 H -5.260 -7.609 -12.987 1.00 . A A . 1 MET HE1 1 1 19 5197 1 1 1 MET HE2 H -3.922 -6.456 -13.008 1.00 . A A . 1 MET HE2 1 1 19 5198 1 1 1 MET HE3 H -5.426 -6.055 -12.180 1.00 . A A . 1 MET HE3 1 1 19 5199 1 1 1 MET HG2 H -3.335 -5.308 -10.989 1.00 . A A . 1 MET HG2 1 1 19 5200 1 1 1 MET HG3 H -2.049 -6.394 -10.474 1.00 . A A . 1 MET HG3 1 1 19 5201 1 1 1 MET N N -5.394 -4.488 -9.256 1.00 . A A . 1 MET N 1 1 19 5202 1 1 1 MET O O -5.134 -4.752 -6.519 1.00 . A A . 1 MET O 1 1 19 5203 1 1 1 MET SD S -4.093 -7.576 -10.891 1.00 . A A . 1 MET SD 1 1 19 5204 1 1 2 ALA C C -7.009 -5.988 -4.818 1.00 . A A . 2 ALA C 1 1 19 5205 1 1 2 ALA CA C -5.900 -6.997 -5.156 1.00 . A A . 2 ALA CA 1 1 19 5206 1 1 2 ALA CB C -4.598 -6.646 -4.421 1.00 . A A . 2 ALA CB 1 1 19 5207 1 1 2 ALA H H -5.645 -7.723 -7.167 1.00 . A A . 2 ALA H 1 1 19 5208 1 1 2 ALA HA H -6.210 -7.998 -4.894 1.00 . A A . 2 ALA HA 1 1 19 5209 1 1 2 ALA HB1 H -3.753 -6.940 -5.027 1.00 . A A . 2 ALA HB1 1 1 19 5210 1 1 2 ALA HB2 H -4.565 -7.171 -3.478 1.00 . A A . 2 ALA HB2 1 1 19 5211 1 1 2 ALA HB3 H -4.559 -5.581 -4.242 1.00 . A A . 2 ALA HB3 1 1 19 5212 1 1 2 ALA N N -5.575 -6.917 -6.616 1.00 . A A . 2 ALA N 1 1 19 5213 1 1 2 ALA O O -7.731 -5.537 -5.690 1.00 . A A . 2 ALA O 1 1 19 5214 1 1 3 THR C C -7.615 -3.242 -3.171 1.00 . A A . 3 THR C 1 1 19 5215 1 1 3 THR CA C -8.213 -4.661 -3.188 1.00 . A A . 3 THR CA 1 1 19 5216 1 1 3 THR CB C -8.672 -5.112 -1.790 1.00 . A A . 3 THR CB 1 1 19 5217 1 1 3 THR CG2 C -9.725 -6.208 -1.931 1.00 . A A . 3 THR CG2 1 1 19 5218 1 1 3 THR H H -6.577 -6.014 -2.880 1.00 . A A . 3 THR H 1 1 19 5219 1 1 3 THR HA H -9.039 -4.709 -3.882 1.00 . A A . 3 THR HA 1 1 19 5220 1 1 3 THR HB H -9.101 -4.274 -1.264 1.00 . A A . 3 THR HB 1 1 19 5221 1 1 3 THR HG1 H -7.498 -5.125 -0.219 1.00 . A A . 3 THR HG1 1 1 19 5222 1 1 3 THR HG21 H -10.706 -5.758 -1.967 1.00 . A A . 3 THR HG21 1 1 19 5223 1 1 3 THR HG22 H -9.665 -6.875 -1.085 1.00 . A A . 3 THR HG22 1 1 19 5224 1 1 3 THR HG23 H -9.548 -6.762 -2.841 1.00 . A A . 3 THR HG23 1 1 19 5225 1 1 3 THR N N -7.157 -5.637 -3.571 1.00 . A A . 3 THR N 1 1 19 5226 1 1 3 THR O O -7.523 -2.592 -4.200 1.00 . A A . 3 THR O 1 1 19 5227 1 1 3 THR OG1 O -7.562 -5.622 -1.055 1.00 . A A . 3 THR OG1 1 1 19 5228 1 1 4 LEU C C -5.461 -1.396 -0.926 1.00 . A A . 4 LEU C 1 1 19 5229 1 1 4 LEU CA C -6.607 -1.397 -1.936 1.00 . A A . 4 LEU CA 1 1 19 5230 1 1 4 LEU CB C -7.750 -0.499 -1.451 1.00 . A A . 4 LEU CB 1 1 19 5231 1 1 4 LEU CD1 C -9.578 0.914 -2.396 1.00 . A A . 4 LEU CD1 1 1 19 5232 1 1 4 LEU CD2 C -7.234 1.746 -2.425 1.00 . A A . 4 LEU CD2 1 1 19 5233 1 1 4 LEU CG C -8.116 0.502 -2.547 1.00 . A A . 4 LEU CG 1 1 19 5234 1 1 4 LEU H H -7.282 -3.303 -1.213 1.00 . A A . 4 LEU H 1 1 19 5235 1 1 4 LEU HA H -6.259 -1.068 -2.904 1.00 . A A . 4 LEU HA 1 1 19 5236 1 1 4 LEU HB2 H -8.611 -1.110 -1.216 1.00 . A A . 4 LEU HB2 1 1 19 5237 1 1 4 LEU HB3 H -7.438 0.034 -0.568 1.00 . A A . 4 LEU HB3 1 1 19 5238 1 1 4 LEU HD11 H -10.209 0.045 -2.511 1.00 . A A . 4 LEU HD11 1 1 19 5239 1 1 4 LEU HD12 H -9.826 1.641 -3.153 1.00 . A A . 4 LEU HD12 1 1 19 5240 1 1 4 LEU HD13 H -9.730 1.345 -1.417 1.00 . A A . 4 LEU HD13 1 1 19 5241 1 1 4 LEU HD21 H -7.647 2.536 -3.032 1.00 . A A . 4 LEU HD21 1 1 19 5242 1 1 4 LEU HD22 H -6.235 1.519 -2.762 1.00 . A A . 4 LEU HD22 1 1 19 5243 1 1 4 LEU HD23 H -7.204 2.064 -1.393 1.00 . A A . 4 LEU HD23 1 1 19 5244 1 1 4 LEU HG H -7.966 0.045 -3.513 1.00 . A A . 4 LEU HG 1 1 19 5245 1 1 4 LEU N N -7.202 -2.762 -2.023 1.00 . A A . 4 LEU N 1 1 19 5246 1 1 4 LEU O O -4.335 -1.082 -1.253 1.00 . A A . 4 LEU O 1 1 19 5247 1 1 5 GLU C C -3.657 -2.895 1.030 1.00 . A A . 5 GLU C 1 1 19 5248 1 1 5 GLU CA C -4.659 -1.774 1.327 1.00 . A A . 5 GLU CA 1 1 19 5249 1 1 5 GLU CB C -5.384 -2.006 2.663 1.00 . A A . 5 GLU CB 1 1 19 5250 1 1 5 GLU CD C -7.156 -3.729 2.217 1.00 . A A . 5 GLU CD 1 1 19 5251 1 1 5 GLU CG C -5.781 -3.485 2.829 1.00 . A A . 5 GLU CG 1 1 19 5252 1 1 5 GLU H H -6.652 -2.008 0.542 1.00 . A A . 5 GLU H 1 1 19 5253 1 1 5 GLU HA H -4.153 -0.820 1.350 1.00 . A A . 5 GLU HA 1 1 19 5254 1 1 5 GLU HB2 H -4.734 -1.716 3.474 1.00 . A A . 5 GLU HB2 1 1 19 5255 1 1 5 GLU HB3 H -6.275 -1.396 2.693 1.00 . A A . 5 GLU HB3 1 1 19 5256 1 1 5 GLU HG2 H -5.057 -4.112 2.337 1.00 . A A . 5 GLU HG2 1 1 19 5257 1 1 5 GLU HG3 H -5.811 -3.729 3.880 1.00 . A A . 5 GLU HG3 1 1 19 5258 1 1 5 GLU N N -5.737 -1.753 0.299 1.00 . A A . 5 GLU N 1 1 19 5259 1 1 5 GLU O O -2.498 -2.809 1.393 1.00 . A A . 5 GLU O 1 1 19 5260 1 1 5 GLU OE1 O -8.132 -3.509 2.909 1.00 . A A . 5 GLU OE1 1 1 19 5261 1 1 5 GLU OE2 O -7.211 -4.132 1.069 1.00 . A A . 5 GLU OE2 1 1 19 5262 1 1 6 LYS C C -2.024 -4.625 -0.807 1.00 . A A . 6 LYS C 1 1 19 5263 1 1 6 LYS CA C -3.163 -5.083 0.091 1.00 . A A . 6 LYS CA 1 1 19 5264 1 1 6 LYS CB C -4.008 -6.155 -0.603 1.00 . A A . 6 LYS CB 1 1 19 5265 1 1 6 LYS CD C -3.646 -8.572 -1.168 1.00 . A A . 6 LYS CD 1 1 19 5266 1 1 6 LYS CE C -2.635 -9.692 -0.859 1.00 . A A . 6 LYS CE 1 1 19 5267 1 1 6 LYS CG C -3.645 -7.536 -0.039 1.00 . A A . 6 LYS CG 1 1 19 5268 1 1 6 LYS H H -5.033 -4.006 0.118 1.00 . A A . 6 LYS H 1 1 19 5269 1 1 6 LYS HA H -2.759 -5.463 1.005 1.00 . A A . 6 LYS HA 1 1 19 5270 1 1 6 LYS HB2 H -5.057 -5.955 -0.427 1.00 . A A . 6 LYS HB2 1 1 19 5271 1 1 6 LYS HB3 H -3.808 -6.133 -1.663 1.00 . A A . 6 LYS HB3 1 1 19 5272 1 1 6 LYS HD2 H -4.636 -8.999 -1.259 1.00 . A A . 6 LYS HD2 1 1 19 5273 1 1 6 LYS HD3 H -3.375 -8.092 -2.095 1.00 . A A . 6 LYS HD3 1 1 19 5274 1 1 6 LYS HE2 H -2.661 -10.440 -1.641 1.00 . A A . 6 LYS HE2 1 1 19 5275 1 1 6 LYS HE3 H -1.637 -9.290 -0.758 1.00 . A A . 6 LYS HE3 1 1 19 5276 1 1 6 LYS HG2 H -2.663 -7.497 0.414 1.00 . A A . 6 LYS HG2 1 1 19 5277 1 1 6 LYS HG3 H -4.375 -7.817 0.705 1.00 . A A . 6 LYS HG3 1 1 19 5278 1 1 6 LYS HZ1 H -4.116 -10.399 0.431 1.00 . A A . 6 LYS HZ1 1 1 19 5279 1 1 6 LYS HZ2 H -2.802 -9.670 1.222 1.00 . A A . 6 LYS HZ2 1 1 19 5280 1 1 6 LYS HZ3 H -2.635 -11.218 0.554 1.00 . A A . 6 LYS HZ3 1 1 19 5281 1 1 6 LYS N N -4.092 -3.952 0.388 1.00 . A A . 6 LYS N 1 1 19 5282 1 1 6 LYS NZ N -3.081 -10.287 0.434 1.00 . A A . 6 LYS NZ 1 1 19 5283 1 1 6 LYS O O -0.876 -4.932 -0.552 1.00 . A A . 6 LYS O 1 1 19 5284 1 1 7 LEU C C -0.309 -2.455 -1.912 1.00 . A A . 7 LEU C 1 1 19 5285 1 1 7 LEU CA C -1.215 -3.395 -2.719 1.00 . A A . 7 LEU CA 1 1 19 5286 1 1 7 LEU CB C -1.894 -2.656 -3.891 1.00 . A A . 7 LEU CB 1 1 19 5287 1 1 7 LEU CD1 C -0.777 -0.395 -3.876 1.00 . A A . 7 LEU CD1 1 1 19 5288 1 1 7 LEU CD2 C -3.206 -0.584 -4.431 1.00 . A A . 7 LEU CD2 1 1 19 5289 1 1 7 LEU CG C -2.075 -1.158 -3.569 1.00 . A A . 7 LEU CG 1 1 19 5290 1 1 7 LEU H H -3.238 -3.625 -2.027 1.00 . A A . 7 LEU H 1 1 19 5291 1 1 7 LEU HA H -0.648 -4.233 -3.092 1.00 . A A . 7 LEU HA 1 1 19 5292 1 1 7 LEU HB2 H -1.280 -2.757 -4.775 1.00 . A A . 7 LEU HB2 1 1 19 5293 1 1 7 LEU HB3 H -2.861 -3.099 -4.079 1.00 . A A . 7 LEU HB3 1 1 19 5294 1 1 7 LEU HD11 H -0.302 -0.099 -2.950 1.00 . A A . 7 LEU HD11 1 1 19 5295 1 1 7 LEU HD12 H -1.001 0.486 -4.460 1.00 . A A . 7 LEU HD12 1 1 19 5296 1 1 7 LEU HD13 H -0.106 -1.034 -4.432 1.00 . A A . 7 LEU HD13 1 1 19 5297 1 1 7 LEU HD21 H -4.053 -0.337 -3.806 1.00 . A A . 7 LEU HD21 1 1 19 5298 1 1 7 LEU HD22 H -3.503 -1.316 -5.167 1.00 . A A . 7 LEU HD22 1 1 19 5299 1 1 7 LEU HD23 H -2.859 0.307 -4.935 1.00 . A A . 7 LEU HD23 1 1 19 5300 1 1 7 LEU HG H -2.321 -1.040 -2.523 1.00 . A A . 7 LEU HG 1 1 19 5301 1 1 7 LEU N N -2.314 -3.880 -1.841 1.00 . A A . 7 LEU N 1 1 19 5302 1 1 7 LEU O O 0.797 -2.157 -2.318 1.00 . A A . 7 LEU O 1 1 19 5303 1 1 8 MET C C 1.092 -1.932 0.838 1.00 . A A . 8 MET C 1 1 19 5304 1 1 8 MET CA C 0.082 -1.089 0.061 1.00 . A A . 8 MET CA 1 1 19 5305 1 1 8 MET CB C -0.904 -0.327 0.977 1.00 . A A . 8 MET CB 1 1 19 5306 1 1 8 MET CE C -2.340 -0.931 4.473 1.00 . A A . 8 MET CE 1 1 19 5307 1 1 8 MET CG C -0.564 -0.517 2.463 1.00 . A A . 8 MET CG 1 1 19 5308 1 1 8 MET H H -1.652 -2.272 -0.439 1.00 . A A . 8 MET H 1 1 19 5309 1 1 8 MET HA H 0.604 -0.393 -0.585 1.00 . A A . 8 MET HA 1 1 19 5310 1 1 8 MET HB2 H -0.867 0.728 0.744 1.00 . A A . 8 MET HB2 1 1 19 5311 1 1 8 MET HB3 H -1.906 -0.687 0.799 1.00 . A A . 8 MET HB3 1 1 19 5312 1 1 8 MET HE1 H -1.540 -1.304 5.097 1.00 . A A . 8 MET HE1 1 1 19 5313 1 1 8 MET HE2 H -2.697 -1.719 3.824 1.00 . A A . 8 MET HE2 1 1 19 5314 1 1 8 MET HE3 H -3.150 -0.592 5.101 1.00 . A A . 8 MET HE3 1 1 19 5315 1 1 8 MET HG2 H -0.645 -1.561 2.722 1.00 . A A . 8 MET HG2 1 1 19 5316 1 1 8 MET HG3 H 0.443 -0.175 2.653 1.00 . A A . 8 MET HG3 1 1 19 5317 1 1 8 MET N N -0.763 -2.000 -0.764 1.00 . A A . 8 MET N 1 1 19 5318 1 1 8 MET O O 2.281 -1.691 0.769 1.00 . A A . 8 MET O 1 1 19 5319 1 1 8 MET SD S -1.729 0.442 3.466 1.00 . A A . 8 MET SD 1 1 19 5320 1 1 9 LYS C C 2.491 -4.477 1.222 1.00 . A A . 9 LYS C 1 1 19 5321 1 1 9 LYS CA C 1.597 -3.827 2.262 1.00 . A A . 9 LYS CA 1 1 19 5322 1 1 9 LYS CB C 0.743 -4.860 3.015 1.00 . A A . 9 LYS CB 1 1 19 5323 1 1 9 LYS CD C 1.780 -4.065 5.158 1.00 . A A . 9 LYS CD 1 1 19 5324 1 1 9 LYS CE C 2.212 -4.509 6.568 1.00 . A A . 9 LYS CE 1 1 19 5325 1 1 9 LYS CG C 1.466 -5.294 4.301 1.00 . A A . 9 LYS CG 1 1 19 5326 1 1 9 LYS H H -0.320 -3.153 1.543 1.00 . A A . 9 LYS H 1 1 19 5327 1 1 9 LYS HA H 2.188 -3.246 2.940 1.00 . A A . 9 LYS HA 1 1 19 5328 1 1 9 LYS HB2 H -0.209 -4.423 3.272 1.00 . A A . 9 LYS HB2 1 1 19 5329 1 1 9 LYS HB3 H 0.582 -5.722 2.386 1.00 . A A . 9 LYS HB3 1 1 19 5330 1 1 9 LYS HD2 H 2.577 -3.504 4.694 1.00 . A A . 9 LYS HD2 1 1 19 5331 1 1 9 LYS HD3 H 0.899 -3.444 5.229 1.00 . A A . 9 LYS HD3 1 1 19 5332 1 1 9 LYS HE2 H 2.507 -5.550 6.559 1.00 . A A . 9 LYS HE2 1 1 19 5333 1 1 9 LYS HE3 H 3.026 -3.893 6.924 1.00 . A A . 9 LYS HE3 1 1 19 5334 1 1 9 LYS HG2 H 0.830 -5.967 4.859 1.00 . A A . 9 LYS HG2 1 1 19 5335 1 1 9 LYS HG3 H 2.387 -5.797 4.046 1.00 . A A . 9 LYS HG3 1 1 19 5336 1 1 9 LYS HZ1 H 1.317 -4.001 8.380 1.00 . A A . 9 LYS HZ1 1 1 19 5337 1 1 9 LYS HZ2 H 0.513 -5.232 7.535 1.00 . A A . 9 LYS HZ2 1 1 19 5338 1 1 9 LYS HZ3 H 0.375 -3.620 7.027 1.00 . A A . 9 LYS HZ3 1 1 19 5339 1 1 9 LYS N N 0.637 -2.950 1.534 1.00 . A A . 9 LYS N 1 1 19 5340 1 1 9 LYS NZ N 1.013 -4.326 7.439 1.00 . A A . 9 LYS NZ 1 1 19 5341 1 1 9 LYS O O 3.695 -4.549 1.385 1.00 . A A . 9 LYS O 1 1 19 5342 1 1 10 ALA C C 3.819 -4.540 -1.323 1.00 . A A . 10 ALA C 1 1 19 5343 1 1 10 ALA CA C 2.705 -5.474 -0.992 1.00 . A A . 10 ALA CA 1 1 19 5344 1 1 10 ALA CB C 1.796 -5.421 -2.214 1.00 . A A . 10 ALA CB 1 1 19 5345 1 1 10 ALA H H 0.944 -4.766 0.027 1.00 . A A . 10 ALA H 1 1 19 5346 1 1 10 ALA HA H 3.049 -6.475 -0.786 1.00 . A A . 10 ALA HA 1 1 19 5347 1 1 10 ALA HB1 H 2.326 -4.897 -3.012 1.00 . A A . 10 ALA HB1 1 1 19 5348 1 1 10 ALA HB2 H 0.905 -4.864 -1.973 1.00 . A A . 10 ALA HB2 1 1 19 5349 1 1 10 ALA HB3 H 1.552 -6.407 -2.538 1.00 . A A . 10 ALA HB3 1 1 19 5350 1 1 10 ALA N N 1.910 -4.888 0.128 1.00 . A A . 10 ALA N 1 1 19 5351 1 1 10 ALA O O 4.989 -4.848 -1.247 1.00 . A A . 10 ALA O 1 1 19 5352 1 1 11 PHE C C 5.294 -2.007 -1.076 1.00 . A A . 11 PHE C 1 1 19 5353 1 1 11 PHE CA C 4.327 -2.362 -2.159 1.00 . A A . 11 PHE CA 1 1 19 5354 1 1 11 PHE CB C 3.475 -1.164 -2.432 1.00 . A A . 11 PHE CB 1 1 19 5355 1 1 11 PHE CD1 C 5.086 -0.238 -4.054 1.00 . A A . 11 PHE CD1 1 1 19 5356 1 1 11 PHE CD2 C 4.637 0.961 -2.006 1.00 . A A . 11 PHE CD2 1 1 19 5357 1 1 11 PHE CE1 C 5.990 0.755 -4.446 1.00 . A A . 11 PHE CE1 1 1 19 5358 1 1 11 PHE CE2 C 5.542 1.961 -2.381 1.00 . A A . 11 PHE CE2 1 1 19 5359 1 1 11 PHE CG C 4.418 -0.112 -2.846 1.00 . A A . 11 PHE CG 1 1 19 5360 1 1 11 PHE CZ C 6.219 1.860 -3.608 1.00 . A A . 11 PHE CZ 1 1 19 5361 1 1 11 PHE H H 2.437 -3.217 -1.808 1.00 . A A . 11 PHE H 1 1 19 5362 1 1 11 PHE HA H 4.845 -2.648 -3.047 1.00 . A A . 11 PHE HA 1 1 19 5363 1 1 11 PHE HB2 H 2.760 -1.373 -3.209 1.00 . A A . 11 PHE HB2 1 1 19 5364 1 1 11 PHE HB3 H 2.964 -0.859 -1.530 1.00 . A A . 11 PHE HB3 1 1 19 5365 1 1 11 PHE HD1 H 4.906 -1.125 -4.671 1.00 . A A . 11 PHE HD1 1 1 19 5366 1 1 11 PHE HD2 H 4.121 0.994 -1.048 1.00 . A A . 11 PHE HD2 1 1 19 5367 1 1 11 PHE HE1 H 6.519 0.669 -5.388 1.00 . A A . 11 PHE HE1 1 1 19 5368 1 1 11 PHE HE2 H 5.713 2.807 -1.733 1.00 . A A . 11 PHE HE2 1 1 19 5369 1 1 11 PHE HZ H 6.919 2.631 -3.905 1.00 . A A . 11 PHE HZ 1 1 19 5370 1 1 11 PHE N N 3.402 -3.390 -1.743 1.00 . A A . 11 PHE N 1 1 19 5371 1 1 11 PHE O O 6.476 -2.094 -1.257 1.00 . A A . 11 PHE O 1 1 19 5372 1 1 12 GLU C C 6.732 -2.348 1.338 1.00 . A A . 12 GLU C 1 1 19 5373 1 1 12 GLU CA C 5.777 -1.161 1.076 1.00 . A A . 12 GLU CA 1 1 19 5374 1 1 12 GLU CB C 4.957 -0.783 2.308 1.00 . A A . 12 GLU CB 1 1 19 5375 1 1 12 GLU CD C 4.387 1.098 3.845 1.00 . A A . 12 GLU CD 1 1 19 5376 1 1 12 GLU CG C 5.131 0.713 2.575 1.00 . A A . 12 GLU CG 1 1 19 5377 1 1 12 GLU H H 3.846 -1.447 0.148 1.00 . A A . 12 GLU H 1 1 19 5378 1 1 12 GLU HA H 6.321 -0.300 0.698 1.00 . A A . 12 GLU HA 1 1 19 5379 1 1 12 GLU HB2 H 3.913 -1.000 2.127 1.00 . A A . 12 GLU HB2 1 1 19 5380 1 1 12 GLU HB3 H 5.301 -1.347 3.162 1.00 . A A . 12 GLU HB3 1 1 19 5381 1 1 12 GLU HG2 H 6.182 0.934 2.688 1.00 . A A . 12 GLU HG2 1 1 19 5382 1 1 12 GLU HG3 H 4.737 1.278 1.742 1.00 . A A . 12 GLU HG3 1 1 19 5383 1 1 12 GLU N N 4.818 -1.556 0.030 1.00 . A A . 12 GLU N 1 1 19 5384 1 1 12 GLU O O 7.934 -2.177 1.468 1.00 . A A . 12 GLU O 1 1 19 5385 1 1 12 GLU OE1 O 4.918 0.865 4.910 1.00 . A A . 12 GLU OE1 1 1 19 5386 1 1 12 GLU OE2 O 3.294 1.618 3.731 1.00 . A A . 12 GLU OE2 1 1 19 5387 1 1 13 SER C C 8.042 -4.862 0.310 1.00 . A A . 13 SER C 1 1 19 5388 1 1 13 SER CA C 7.081 -4.768 1.507 1.00 . A A . 13 SER CA 1 1 19 5389 1 1 13 SER CB C 6.124 -5.968 1.514 1.00 . A A . 13 SER CB 1 1 19 5390 1 1 13 SER H H 5.239 -3.670 1.190 1.00 . A A . 13 SER H 1 1 19 5391 1 1 13 SER HA H 7.633 -4.715 2.429 1.00 . A A . 13 SER HA 1 1 19 5392 1 1 13 SER HB2 H 5.458 -5.908 0.664 1.00 . A A . 13 SER HB2 1 1 19 5393 1 1 13 SER HB3 H 6.691 -6.883 1.450 1.00 . A A . 13 SER HB3 1 1 19 5394 1 1 13 SER HG H 4.557 -5.427 2.533 1.00 . A A . 13 SER HG 1 1 19 5395 1 1 13 SER N N 6.205 -3.558 1.342 1.00 . A A . 13 SER N 1 1 19 5396 1 1 13 SER O O 9.066 -5.514 0.371 1.00 . A A . 13 SER O 1 1 19 5397 1 1 13 SER OG O 5.356 -5.945 2.713 1.00 . A A . 13 SER OG 1 1 19 5398 1 1 14 LEU C C 9.445 -2.917 -1.893 1.00 . A A . 14 LEU C 1 1 19 5399 1 1 14 LEU CA C 8.566 -4.161 -1.982 1.00 . A A . 14 LEU CA 1 1 19 5400 1 1 14 LEU CB C 7.530 -4.161 -3.143 1.00 . A A . 14 LEU CB 1 1 19 5401 1 1 14 LEU CD1 C 7.821 -1.806 -3.925 1.00 . A A . 14 LEU CD1 1 1 19 5402 1 1 14 LEU CD2 C 9.310 -3.569 -4.873 1.00 . A A . 14 LEU CD2 1 1 19 5403 1 1 14 LEU CG C 7.904 -3.264 -4.343 1.00 . A A . 14 LEU CG 1 1 19 5404 1 1 14 LEU H H 6.888 -3.664 -0.754 1.00 . A A . 14 LEU H 1 1 19 5405 1 1 14 LEU HA H 9.182 -5.034 -2.019 1.00 . A A . 14 LEU HA 1 1 19 5406 1 1 14 LEU HB2 H 7.405 -5.170 -3.491 1.00 . A A . 14 LEU HB2 1 1 19 5407 1 1 14 LEU HB3 H 6.581 -3.820 -2.746 1.00 . A A . 14 LEU HB3 1 1 19 5408 1 1 14 LEU HD11 H 7.507 -1.211 -4.764 1.00 . A A . 14 LEU HD11 1 1 19 5409 1 1 14 LEU HD12 H 8.789 -1.475 -3.588 1.00 . A A . 14 LEU HD12 1 1 19 5410 1 1 14 LEU HD13 H 7.107 -1.704 -3.123 1.00 . A A . 14 LEU HD13 1 1 19 5411 1 1 14 LEU HD21 H 9.397 -4.622 -5.091 1.00 . A A . 14 LEU HD21 1 1 19 5412 1 1 14 LEU HD22 H 10.045 -3.291 -4.137 1.00 . A A . 14 LEU HD22 1 1 19 5413 1 1 14 LEU HD23 H 9.480 -3.004 -5.778 1.00 . A A . 14 LEU HD23 1 1 19 5414 1 1 14 LEU HG H 7.184 -3.435 -5.134 1.00 . A A . 14 LEU HG 1 1 19 5415 1 1 14 LEU N N 7.713 -4.189 -0.760 1.00 . A A . 14 LEU N 1 1 19 5416 1 1 14 LEU O O 10.620 -2.946 -2.202 1.00 . A A . 14 LEU O 1 1 19 5417 1 1 15 LYS C C 10.882 -1.052 -0.325 1.00 . A A . 15 LYS C 1 1 19 5418 1 1 15 LYS CA C 9.679 -0.622 -1.152 1.00 . A A . 15 LYS CA 1 1 19 5419 1 1 15 LYS CB C 8.686 0.229 -0.353 1.00 . A A . 15 LYS CB 1 1 19 5420 1 1 15 LYS CD C 9.626 2.356 0.584 1.00 . A A . 15 LYS CD 1 1 19 5421 1 1 15 LYS CE C 11.088 2.532 0.149 1.00 . A A . 15 LYS CE 1 1 19 5422 1 1 15 LYS CG C 9.341 0.873 0.862 1.00 . A A . 15 LYS CG 1 1 19 5423 1 1 15 LYS H H 7.972 -1.885 -1.068 1.00 . A A . 15 LYS H 1 1 19 5424 1 1 15 LYS HA H 9.963 -0.146 -2.077 1.00 . A A . 15 LYS HA 1 1 19 5425 1 1 15 LYS HB2 H 8.283 0.978 -0.980 1.00 . A A . 15 LYS HB2 1 1 19 5426 1 1 15 LYS HB3 H 7.881 -0.404 -0.016 1.00 . A A . 15 LYS HB3 1 1 19 5427 1 1 15 LYS HD2 H 8.975 2.709 -0.206 1.00 . A A . 15 LYS HD2 1 1 19 5428 1 1 15 LYS HD3 H 9.448 2.934 1.479 1.00 . A A . 15 LYS HD3 1 1 19 5429 1 1 15 LYS HE2 H 11.347 1.779 -0.582 1.00 . A A . 15 LYS HE2 1 1 19 5430 1 1 15 LYS HE3 H 11.241 3.520 -0.261 1.00 . A A . 15 LYS HE3 1 1 19 5431 1 1 15 LYS HG2 H 8.670 0.781 1.702 1.00 . A A . 15 LYS HG2 1 1 19 5432 1 1 15 LYS HG3 H 10.259 0.358 1.079 1.00 . A A . 15 LYS HG3 1 1 19 5433 1 1 15 LYS HZ1 H 12.839 2.790 1.240 1.00 . A A . 15 LYS HZ1 1 1 19 5434 1 1 15 LYS HZ2 H 12.027 1.346 1.585 1.00 . A A . 15 LYS HZ2 1 1 19 5435 1 1 15 LYS HZ3 H 11.435 2.815 2.190 1.00 . A A . 15 LYS HZ3 1 1 19 5436 1 1 15 LYS N N 8.898 -1.851 -1.377 1.00 . A A . 15 LYS N 1 1 19 5437 1 1 15 LYS NZ N 11.905 2.357 1.385 1.00 . A A . 15 LYS NZ 1 1 19 5438 1 1 15 LYS O O 12.016 -0.688 -0.568 1.00 . A A . 15 LYS O 1 1 19 5439 1 1 16 SER C C 12.918 -2.742 0.814 1.00 . A A . 16 SER C 1 1 19 5440 1 1 16 SER CA C 11.597 -2.471 1.544 1.00 . A A . 16 SER CA 1 1 19 5441 1 1 16 SER CB C 10.939 -3.794 1.947 1.00 . A A . 16 SER CB 1 1 19 5442 1 1 16 SER H H 9.633 -2.113 0.740 1.00 . A A . 16 SER H 1 1 19 5443 1 1 16 SER HA H 11.755 -1.856 2.406 1.00 . A A . 16 SER HA 1 1 19 5444 1 1 16 SER HB2 H 10.376 -4.181 1.105 1.00 . A A . 16 SER HB2 1 1 19 5445 1 1 16 SER HB3 H 11.700 -4.512 2.221 1.00 . A A . 16 SER HB3 1 1 19 5446 1 1 16 SER HG H 9.293 -3.056 2.699 1.00 . A A . 16 SER HG 1 1 19 5447 1 1 16 SER N N 10.581 -1.872 0.633 1.00 . A A . 16 SER N 1 1 19 5448 1 1 16 SER O O 13.983 -2.357 1.261 1.00 . A A . 16 SER O 1 1 19 5449 1 1 16 SER OG O 10.047 -3.568 3.034 1.00 . A A . 16 SER OG 1 1 19 5450 1 1 17 PHE C C 14.177 -2.935 -2.346 1.00 . A A . 17 PHE C 1 1 19 5451 1 1 17 PHE CA C 14.084 -3.754 -1.051 1.00 . A A . 17 PHE CA 1 1 19 5452 1 1 17 PHE CB C 13.954 -5.250 -1.348 1.00 . A A . 17 PHE CB 1 1 19 5453 1 1 17 PHE CD1 C 12.456 -5.134 -3.366 1.00 . A A . 17 PHE CD1 1 1 19 5454 1 1 17 PHE CD2 C 11.675 -6.309 -1.400 1.00 . A A . 17 PHE CD2 1 1 19 5455 1 1 17 PHE CE1 C 11.272 -5.448 -4.027 1.00 . A A . 17 PHE CE1 1 1 19 5456 1 1 17 PHE CE2 C 10.484 -6.618 -2.058 1.00 . A A . 17 PHE CE2 1 1 19 5457 1 1 17 PHE CG C 12.662 -5.569 -2.056 1.00 . A A . 17 PHE CG 1 1 19 5458 1 1 17 PHE CZ C 10.280 -6.187 -3.375 1.00 . A A . 17 PHE CZ 1 1 19 5459 1 1 17 PHE H H 11.991 -3.736 -0.614 1.00 . A A . 17 PHE H 1 1 19 5460 1 1 17 PHE HA H 14.955 -3.584 -0.444 1.00 . A A . 17 PHE HA 1 1 19 5461 1 1 17 PHE HB2 H 14.766 -5.552 -1.970 1.00 . A A . 17 PHE HB2 1 1 19 5462 1 1 17 PHE HB3 H 13.984 -5.795 -0.419 1.00 . A A . 17 PHE HB3 1 1 19 5463 1 1 17 PHE HD1 H 13.218 -4.561 -3.874 1.00 . A A . 17 PHE HD1 1 1 19 5464 1 1 17 PHE HD2 H 11.834 -6.641 -0.385 1.00 . A A . 17 PHE HD2 1 1 19 5465 1 1 17 PHE HE1 H 11.111 -5.095 -5.031 1.00 . A A . 17 PHE HE1 1 1 19 5466 1 1 17 PHE HE2 H 9.710 -7.170 -1.541 1.00 . A A . 17 PHE HE2 1 1 19 5467 1 1 17 PHE HZ H 9.360 -6.429 -3.890 1.00 . A A . 17 PHE HZ 1 1 19 5468 1 1 17 PHE N N 12.853 -3.423 -0.290 1.00 . A A . 17 PHE N 1 1 19 5469 1 1 17 PHE O O 14.880 -3.306 -3.267 1.00 . A A . 17 PHE O 1 1 19 5470 1 1 18 NH2 HN1 H 12.934 -1.518 -1.725 1.00 . A A . 18 NH2 HN1 1 1 19 5471 1 1 18 NH2 HN2 H 13.566 -1.300 -3.284 1.00 . A A . 18 NH2 HN2 1 1 19 5472 1 1 18 NH2 N N 13.502 -1.827 -2.462 1.00 . A A . 18 NH2 N 1 1 20 5473 1 1 1 MET C C -6.162 5.290 3.082 1.00 . A A . 1 MET C 1 1 20 5474 1 1 1 MET CA C -6.789 6.479 3.808 1.00 . A A . 1 MET CA 1 1 20 5475 1 1 1 MET CB C -6.637 7.751 2.965 1.00 . A A . 1 MET CB 1 1 20 5476 1 1 1 MET CE C -7.893 10.297 1.324 1.00 . A A . 1 MET CE 1 1 20 5477 1 1 1 MET CG C -7.421 8.901 3.602 1.00 . A A . 1 MET CG 1 1 20 5478 1 1 1 MET H1 H -5.951 5.857 5.607 1.00 . A A . 1 MET H1 1 1 20 5479 1 1 1 MET H2 H -6.576 7.431 5.645 1.00 . A A . 1 MET H2 1 1 20 5480 1 1 1 MET H3 H -5.107 7.119 4.858 1.00 . A A . 1 MET H3 1 1 20 5481 1 1 1 MET HA H -7.832 6.295 4.014 1.00 . A A . 1 MET HA 1 1 20 5482 1 1 1 MET HB2 H -5.592 8.019 2.903 1.00 . A A . 1 MET HB2 1 1 20 5483 1 1 1 MET HB3 H -7.021 7.566 1.973 1.00 . A A . 1 MET HB3 1 1 20 5484 1 1 1 MET HE1 H -7.512 10.978 0.574 1.00 . A A . 1 MET HE1 1 1 20 5485 1 1 1 MET HE2 H -8.928 10.531 1.537 1.00 . A A . 1 MET HE2 1 1 20 5486 1 1 1 MET HE3 H -7.824 9.286 0.955 1.00 . A A . 1 MET HE3 1 1 20 5487 1 1 1 MET HG2 H -8.479 8.748 3.446 1.00 . A A . 1 MET HG2 1 1 20 5488 1 1 1 MET HG3 H -7.214 8.937 4.662 1.00 . A A . 1 MET HG3 1 1 20 5489 1 1 1 MET N N -6.050 6.744 5.076 1.00 . A A . 1 MET N 1 1 20 5490 1 1 1 MET O O -4.988 5.300 2.761 1.00 . A A . 1 MET O 1 1 20 5491 1 1 1 MET SD S -6.915 10.459 2.837 1.00 . A A . 1 MET SD 1 1 20 5492 1 1 2 ALA C C -7.423 2.482 1.176 1.00 . A A . 2 ALA C 1 1 20 5493 1 1 2 ALA CA C -6.373 3.077 2.111 1.00 . A A . 2 ALA CA 1 1 20 5494 1 1 2 ALA CB C -6.016 2.082 3.220 1.00 . A A . 2 ALA CB 1 1 20 5495 1 1 2 ALA H H -7.872 4.281 3.086 1.00 . A A . 2 ALA H 1 1 20 5496 1 1 2 ALA HA H -5.486 3.346 1.557 1.00 . A A . 2 ALA HA 1 1 20 5497 1 1 2 ALA HB1 H -4.942 1.993 3.290 1.00 . A A . 2 ALA HB1 1 1 20 5498 1 1 2 ALA HB2 H -6.443 1.115 2.990 1.00 . A A . 2 ALA HB2 1 1 20 5499 1 1 2 ALA HB3 H -6.409 2.434 4.161 1.00 . A A . 2 ALA HB3 1 1 20 5500 1 1 2 ALA N N -6.928 4.267 2.818 1.00 . A A . 2 ALA N 1 1 20 5501 1 1 2 ALA O O -8.455 1.998 1.616 1.00 . A A . 2 ALA O 1 1 20 5502 1 1 3 THR C C -7.798 0.423 -1.236 1.00 . A A . 3 THR C 1 1 20 5503 1 1 3 THR CA C -8.130 1.907 -1.070 1.00 . A A . 3 THR CA 1 1 20 5504 1 1 3 THR CB C -7.908 2.680 -2.380 1.00 . A A . 3 THR CB 1 1 20 5505 1 1 3 THR CG2 C -8.879 3.859 -2.450 1.00 . A A . 3 THR CG2 1 1 20 5506 1 1 3 THR H H -6.323 2.865 -0.428 1.00 . A A . 3 THR H 1 1 20 5507 1 1 3 THR HA H -9.144 2.035 -0.722 1.00 . A A . 3 THR HA 1 1 20 5508 1 1 3 THR HB H -8.086 2.023 -3.220 1.00 . A A . 3 THR HB 1 1 20 5509 1 1 3 THR HG1 H -6.338 3.339 -3.351 1.00 . A A . 3 THR HG1 1 1 20 5510 1 1 3 THR HG21 H -8.949 4.208 -3.471 1.00 . A A . 3 THR HG21 1 1 20 5511 1 1 3 THR HG22 H -8.519 4.660 -1.820 1.00 . A A . 3 THR HG22 1 1 20 5512 1 1 3 THR HG23 H -9.853 3.546 -2.111 1.00 . A A . 3 THR HG23 1 1 20 5513 1 1 3 THR N N -7.164 2.490 -0.101 1.00 . A A . 3 THR N 1 1 20 5514 1 1 3 THR O O -8.518 -0.440 -0.765 1.00 . A A . 3 THR O 1 1 20 5515 1 1 3 THR OG1 O -6.562 3.172 -2.426 1.00 . A A . 3 THR OG1 1 1 20 5516 1 1 4 LEU C C -5.201 -1.596 -0.966 1.00 . A A . 4 LEU C 1 1 20 5517 1 1 4 LEU CA C -6.280 -1.300 -2.012 1.00 . A A . 4 LEU CA 1 1 20 5518 1 1 4 LEU CB C -5.729 -1.426 -3.435 1.00 . A A . 4 LEU CB 1 1 20 5519 1 1 4 LEU CD1 C -7.955 -1.689 -4.541 1.00 . A A . 4 LEU CD1 1 1 20 5520 1 1 4 LEU CD2 C -5.931 -2.723 -5.565 1.00 . A A . 4 LEU CD2 1 1 20 5521 1 1 4 LEU CG C -6.621 -2.373 -4.246 1.00 . A A . 4 LEU CG 1 1 20 5522 1 1 4 LEU H H -6.108 0.836 -2.197 1.00 . A A . 4 LEU H 1 1 20 5523 1 1 4 LEU HA H -7.128 -1.948 -1.874 1.00 . A A . 4 LEU HA 1 1 20 5524 1 1 4 LEU HB2 H -5.709 -0.450 -3.902 1.00 . A A . 4 LEU HB2 1 1 20 5525 1 1 4 LEU HB3 H -4.727 -1.825 -3.399 1.00 . A A . 4 LEU HB3 1 1 20 5526 1 1 4 LEU HD11 H -8.632 -1.861 -3.721 1.00 . A A . 4 LEU HD11 1 1 20 5527 1 1 4 LEU HD12 H -8.375 -2.101 -5.448 1.00 . A A . 4 LEU HD12 1 1 20 5528 1 1 4 LEU HD13 H -7.798 -0.628 -4.664 1.00 . A A . 4 LEU HD13 1 1 20 5529 1 1 4 LEU HD21 H -6.145 -1.959 -6.300 1.00 . A A . 4 LEU HD21 1 1 20 5530 1 1 4 LEU HD22 H -6.301 -3.676 -5.920 1.00 . A A . 4 LEU HD22 1 1 20 5531 1 1 4 LEU HD23 H -4.864 -2.786 -5.410 1.00 . A A . 4 LEU HD23 1 1 20 5532 1 1 4 LEU HG H -6.801 -3.276 -3.679 1.00 . A A . 4 LEU HG 1 1 20 5533 1 1 4 LEU N N -6.688 0.122 -1.860 1.00 . A A . 4 LEU N 1 1 20 5534 1 1 4 LEU O O -4.061 -1.871 -1.291 1.00 . A A . 4 LEU O 1 1 20 5535 1 1 5 GLU C C -3.598 -2.836 1.143 1.00 . A A . 5 GLU C 1 1 20 5536 1 1 5 GLU CA C -4.605 -1.711 1.423 1.00 . A A . 5 GLU CA 1 1 20 5537 1 1 5 GLU CB C -5.467 -2.052 2.658 1.00 . A A . 5 GLU CB 1 1 20 5538 1 1 5 GLU CD C -6.333 -4.386 2.348 1.00 . A A . 5 GLU CD 1 1 20 5539 1 1 5 GLU CG C -6.693 -2.907 2.275 1.00 . A A . 5 GLU CG 1 1 20 5540 1 1 5 GLU H H -6.490 -1.230 0.489 1.00 . A A . 5 GLU H 1 1 20 5541 1 1 5 GLU HA H -4.068 -0.794 1.616 1.00 . A A . 5 GLU HA 1 1 20 5542 1 1 5 GLU HB2 H -4.861 -2.600 3.367 1.00 . A A . 5 GLU HB2 1 1 20 5543 1 1 5 GLU HB3 H -5.803 -1.137 3.119 1.00 . A A . 5 GLU HB3 1 1 20 5544 1 1 5 GLU HG2 H -7.498 -2.700 2.961 1.00 . A A . 5 GLU HG2 1 1 20 5545 1 1 5 GLU HG3 H -7.011 -2.669 1.273 1.00 . A A . 5 GLU HG3 1 1 20 5546 1 1 5 GLU N N -5.569 -1.490 0.289 1.00 . A A . 5 GLU N 1 1 20 5547 1 1 5 GLU O O -2.431 -2.714 1.475 1.00 . A A . 5 GLU O 1 1 20 5548 1 1 5 GLU OE1 O -5.898 -4.826 3.396 1.00 . A A . 5 GLU OE1 1 1 20 5549 1 1 5 GLU OE2 O -6.496 -5.057 1.345 1.00 . A A . 5 GLU OE2 1 1 20 5550 1 1 6 LYS C C -2.002 -4.599 -0.731 1.00 . A A . 6 LYS C 1 1 20 5551 1 1 6 LYS CA C -3.045 -5.035 0.292 1.00 . A A . 6 LYS CA 1 1 20 5552 1 1 6 LYS CB C -3.862 -6.227 -0.215 1.00 . A A . 6 LYS CB 1 1 20 5553 1 1 6 LYS CD C -4.565 -8.517 0.567 1.00 . A A . 6 LYS CD 1 1 20 5554 1 1 6 LYS CE C -5.738 -7.989 1.422 1.00 . A A . 6 LYS CE 1 1 20 5555 1 1 6 LYS CG C -3.419 -7.495 0.524 1.00 . A A . 6 LYS CG 1 1 20 5556 1 1 6 LYS H H -4.957 -4.026 0.300 1.00 . A A . 6 LYS H 1 1 20 5557 1 1 6 LYS HA H -2.542 -5.292 1.206 1.00 . A A . 6 LYS HA 1 1 20 5558 1 1 6 LYS HB2 H -4.912 -6.050 -0.036 1.00 . A A . 6 LYS HB2 1 1 20 5559 1 1 6 LYS HB3 H -3.693 -6.357 -1.275 1.00 . A A . 6 LYS HB3 1 1 20 5560 1 1 6 LYS HD2 H -4.915 -8.701 -0.441 1.00 . A A . 6 LYS HD2 1 1 20 5561 1 1 6 LYS HD3 H -4.205 -9.447 0.989 1.00 . A A . 6 LYS HD3 1 1 20 5562 1 1 6 LYS HE2 H -6.286 -7.234 0.871 1.00 . A A . 6 LYS HE2 1 1 20 5563 1 1 6 LYS HE3 H -6.396 -8.801 1.692 1.00 . A A . 6 LYS HE3 1 1 20 5564 1 1 6 LYS HG2 H -2.571 -7.927 0.011 1.00 . A A . 6 LYS HG2 1 1 20 5565 1 1 6 LYS HG3 H -3.131 -7.236 1.531 1.00 . A A . 6 LYS HG3 1 1 20 5566 1 1 6 LYS HZ1 H -4.868 -6.400 2.470 1.00 . A A . 6 LYS HZ1 1 1 20 5567 1 1 6 LYS HZ2 H -4.289 -7.926 2.944 1.00 . A A . 6 LYS HZ2 1 1 20 5568 1 1 6 LYS HZ3 H -5.829 -7.413 3.428 1.00 . A A . 6 LYS HZ3 1 1 20 5569 1 1 6 LYS N N -4.014 -3.930 0.556 1.00 . A A . 6 LYS N 1 1 20 5570 1 1 6 LYS NZ N -5.132 -7.390 2.656 1.00 . A A . 6 LYS NZ 1 1 20 5571 1 1 6 LYS O O -0.822 -4.815 -0.539 1.00 . A A . 6 LYS O 1 1 20 5572 1 1 7 LEU C C -0.405 -2.545 -2.075 1.00 . A A . 7 LEU C 1 1 20 5573 1 1 7 LEU CA C -1.397 -3.486 -2.785 1.00 . A A . 7 LEU CA 1 1 20 5574 1 1 7 LEU CB C -2.199 -2.764 -3.894 1.00 . A A . 7 LEU CB 1 1 20 5575 1 1 7 LEU CD1 C -0.564 -0.982 -4.582 1.00 . A A . 7 LEU CD1 1 1 20 5576 1 1 7 LEU CD2 C -3.010 -0.523 -4.648 1.00 . A A . 7 LEU CD2 1 1 20 5577 1 1 7 LEU CG C -1.906 -1.257 -3.895 1.00 . A A . 7 LEU CG 1 1 20 5578 1 1 7 LEU H H -3.358 -3.763 -1.925 1.00 . A A . 7 LEU H 1 1 20 5579 1 1 7 LEU HA H -0.870 -4.330 -3.202 1.00 . A A . 7 LEU HA 1 1 20 5580 1 1 7 LEU HB2 H -1.926 -3.177 -4.855 1.00 . A A . 7 LEU HB2 1 1 20 5581 1 1 7 LEU HB3 H -3.254 -2.921 -3.730 1.00 . A A . 7 LEU HB3 1 1 20 5582 1 1 7 LEU HD11 H 0.008 -0.290 -3.980 1.00 . A A . 7 LEU HD11 1 1 20 5583 1 1 7 LEU HD12 H -0.734 -0.553 -5.558 1.00 . A A . 7 LEU HD12 1 1 20 5584 1 1 7 LEU HD13 H -0.017 -1.907 -4.684 1.00 . A A . 7 LEU HD13 1 1 20 5585 1 1 7 LEU HD21 H -2.600 -0.070 -5.537 1.00 . A A . 7 LEU HD21 1 1 20 5586 1 1 7 LEU HD22 H -3.423 0.244 -4.013 1.00 . A A . 7 LEU HD22 1 1 20 5587 1 1 7 LEU HD23 H -3.789 -1.221 -4.924 1.00 . A A . 7 LEU HD23 1 1 20 5588 1 1 7 LEU HG H -1.868 -0.897 -2.876 1.00 . A A . 7 LEU HG 1 1 20 5589 1 1 7 LEU N N -2.407 -3.958 -1.794 1.00 . A A . 7 LEU N 1 1 20 5590 1 1 7 LEU O O 0.709 -2.344 -2.524 1.00 . A A . 7 LEU O 1 1 20 5591 1 1 8 MET C C 1.108 -1.910 0.594 1.00 . A A . 8 MET C 1 1 20 5592 1 1 8 MET CA C 0.129 -1.079 -0.221 1.00 . A A . 8 MET CA 1 1 20 5593 1 1 8 MET CB C -0.758 -0.218 0.687 1.00 . A A . 8 MET CB 1 1 20 5594 1 1 8 MET CE C 0.510 2.586 0.479 1.00 . A A . 8 MET CE 1 1 20 5595 1 1 8 MET CG C -1.491 0.840 -0.145 1.00 . A A . 8 MET CG 1 1 20 5596 1 1 8 MET H H -1.686 -2.186 -0.584 1.00 . A A . 8 MET H 1 1 20 5597 1 1 8 MET HA H 0.670 -0.458 -0.922 1.00 . A A . 8 MET HA 1 1 20 5598 1 1 8 MET HB2 H -1.479 -0.847 1.185 1.00 . A A . 8 MET HB2 1 1 20 5599 1 1 8 MET HB3 H -0.142 0.272 1.424 1.00 . A A . 8 MET HB3 1 1 20 5600 1 1 8 MET HE1 H -0.194 2.594 1.300 1.00 . A A . 8 MET HE1 1 1 20 5601 1 1 8 MET HE2 H 0.832 3.594 0.264 1.00 . A A . 8 MET HE2 1 1 20 5602 1 1 8 MET HE3 H 1.368 1.989 0.748 1.00 . A A . 8 MET HE3 1 1 20 5603 1 1 8 MET HG2 H -2.123 0.353 -0.877 1.00 . A A . 8 MET HG2 1 1 20 5604 1 1 8 MET HG3 H -2.099 1.448 0.505 1.00 . A A . 8 MET HG3 1 1 20 5605 1 1 8 MET N N -0.796 -1.987 -0.953 1.00 . A A . 8 MET N 1 1 20 5606 1 1 8 MET O O 2.300 -1.780 0.433 1.00 . A A . 8 MET O 1 1 20 5607 1 1 8 MET SD S -0.285 1.890 -0.991 1.00 . A A . 8 MET SD 1 1 20 5608 1 1 9 LYS C C 2.437 -4.388 1.207 1.00 . A A . 9 LYS C 1 1 20 5609 1 1 9 LYS CA C 1.579 -3.641 2.211 1.00 . A A . 9 LYS CA 1 1 20 5610 1 1 9 LYS CB C 0.732 -4.611 3.052 1.00 . A A . 9 LYS CB 1 1 20 5611 1 1 9 LYS CD C 2.746 -4.823 4.544 1.00 . A A . 9 LYS CD 1 1 20 5612 1 1 9 LYS CE C 3.434 -5.748 5.556 1.00 . A A . 9 LYS CE 1 1 20 5613 1 1 9 LYS CG C 1.648 -5.595 3.798 1.00 . A A . 9 LYS CG 1 1 20 5614 1 1 9 LYS H H -0.342 -2.914 1.533 1.00 . A A . 9 LYS H 1 1 20 5615 1 1 9 LYS HA H 2.194 -3.029 2.841 1.00 . A A . 9 LYS HA 1 1 20 5616 1 1 9 LYS HB2 H 0.148 -4.049 3.768 1.00 . A A . 9 LYS HB2 1 1 20 5617 1 1 9 LYS HB3 H 0.068 -5.164 2.403 1.00 . A A . 9 LYS HB3 1 1 20 5618 1 1 9 LYS HD2 H 3.476 -4.452 3.835 1.00 . A A . 9 LYS HD2 1 1 20 5619 1 1 9 LYS HD3 H 2.302 -3.990 5.069 1.00 . A A . 9 LYS HD3 1 1 20 5620 1 1 9 LYS HE2 H 4.065 -5.173 6.217 1.00 . A A . 9 LYS HE2 1 1 20 5621 1 1 9 LYS HE3 H 2.693 -6.291 6.124 1.00 . A A . 9 LYS HE3 1 1 20 5622 1 1 9 LYS HG2 H 1.060 -6.158 4.510 1.00 . A A . 9 LYS HG2 1 1 20 5623 1 1 9 LYS HG3 H 2.101 -6.272 3.090 1.00 . A A . 9 LYS HG3 1 1 20 5624 1 1 9 LYS HZ1 H 4.984 -7.123 5.360 1.00 . A A . 9 LYS HZ1 1 1 20 5625 1 1 9 LYS HZ2 H 4.722 -6.197 3.964 1.00 . A A . 9 LYS HZ2 1 1 20 5626 1 1 9 LYS HZ3 H 3.645 -7.449 4.370 1.00 . A A . 9 LYS HZ3 1 1 20 5627 1 1 9 LYS N N 0.628 -2.793 1.438 1.00 . A A . 9 LYS N 1 1 20 5628 1 1 9 LYS NZ N 4.255 -6.700 4.752 1.00 . A A . 9 LYS NZ 1 1 20 5629 1 1 9 LYS O O 3.642 -4.427 1.319 1.00 . A A . 9 LYS O 1 1 20 5630 1 1 10 ALA C C 3.714 -4.774 -1.305 1.00 . A A . 10 ALA C 1 1 20 5631 1 1 10 ALA CA C 2.570 -5.632 -0.878 1.00 . A A . 10 ALA CA 1 1 20 5632 1 1 10 ALA CB C 1.633 -5.651 -2.084 1.00 . A A . 10 ALA CB 1 1 20 5633 1 1 10 ALA H H 0.838 -4.831 0.128 1.00 . A A . 10 ALA H 1 1 20 5634 1 1 10 ALA HA H 2.885 -6.622 -0.591 1.00 . A A . 10 ALA HA 1 1 20 5635 1 1 10 ALA HB1 H 2.219 -5.804 -2.984 1.00 . A A . 10 ALA HB1 1 1 20 5636 1 1 10 ALA HB2 H 1.137 -4.685 -2.159 1.00 . A A . 10 ALA HB2 1 1 20 5637 1 1 10 ALA HB3 H 0.906 -6.424 -1.978 1.00 . A A . 10 ALA HB3 1 1 20 5638 1 1 10 ALA N N 1.812 -4.927 0.198 1.00 . A A . 10 ALA N 1 1 20 5639 1 1 10 ALA O O 4.873 -5.140 -1.268 1.00 . A A . 10 ALA O 1 1 20 5640 1 1 11 PHE C C 5.243 -2.203 -1.212 1.00 . A A . 11 PHE C 1 1 20 5641 1 1 11 PHE CA C 4.317 -2.695 -2.270 1.00 . A A . 11 PHE CA 1 1 20 5642 1 1 11 PHE CB C 3.525 -1.537 -2.758 1.00 . A A . 11 PHE CB 1 1 20 5643 1 1 11 PHE CD1 C 4.856 -1.061 -4.749 1.00 . A A . 11 PHE CD1 1 1 20 5644 1 1 11 PHE CD2 C 5.077 0.361 -2.811 1.00 . A A . 11 PHE CD2 1 1 20 5645 1 1 11 PHE CE1 C 5.805 -0.295 -5.434 1.00 . A A . 11 PHE CE1 1 1 20 5646 1 1 11 PHE CE2 C 6.023 1.146 -3.482 1.00 . A A . 11 PHE CE2 1 1 20 5647 1 1 11 PHE CG C 4.510 -0.719 -3.462 1.00 . A A . 11 PHE CG 1 1 20 5648 1 1 11 PHE CZ C 6.384 0.820 -4.800 1.00 . A A . 11 PHE CZ 1 1 20 5649 1 1 11 PHE H H 2.391 -3.405 -1.794 1.00 . A A . 11 PHE H 1 1 20 5650 1 1 11 PHE HA H 4.867 -3.116 -3.078 1.00 . A A . 11 PHE HA 1 1 20 5651 1 1 11 PHE HB2 H 2.736 -1.863 -3.417 1.00 . A A . 11 PHE HB2 1 1 20 5652 1 1 11 PHE HB3 H 3.115 -0.983 -1.927 1.00 . A A . 11 PHE HB3 1 1 20 5653 1 1 11 PHE HD1 H 4.414 -1.958 -5.192 1.00 . A A . 11 PHE HD1 1 1 20 5654 1 1 11 PHE HD2 H 4.793 0.563 -1.774 1.00 . A A . 11 PHE HD2 1 1 20 5655 1 1 11 PHE HE1 H 6.080 -0.548 -6.449 1.00 . A A . 11 PHE HE1 1 1 20 5656 1 1 11 PHE HE2 H 6.477 1.991 -2.987 1.00 . A A . 11 PHE HE2 1 1 20 5657 1 1 11 PHE HZ H 7.114 1.419 -5.324 1.00 . A A . 11 PHE HZ 1 1 20 5658 1 1 11 PHE N N 3.347 -3.633 -1.762 1.00 . A A . 11 PHE N 1 1 20 5659 1 1 11 PHE O O 6.443 -2.271 -1.353 1.00 . A A . 11 PHE O 1 1 20 5660 1 1 12 GLU C C 6.556 -2.247 1.251 1.00 . A A . 12 GLU C 1 1 20 5661 1 1 12 GLU CA C 5.589 -1.126 0.847 1.00 . A A . 12 GLU CA 1 1 20 5662 1 1 12 GLU CB C 4.679 -0.715 1.994 1.00 . A A . 12 GLU CB 1 1 20 5663 1 1 12 GLU CD C 5.201 1.725 2.162 1.00 . A A . 12 GLU CD 1 1 20 5664 1 1 12 GLU CG C 4.148 0.698 1.751 1.00 . A A . 12 GLU CG 1 1 20 5665 1 1 12 GLU H H 3.730 -1.572 -0.102 1.00 . A A . 12 GLU H 1 1 20 5666 1 1 12 GLU HA H 6.110 -0.278 0.421 1.00 . A A . 12 GLU HA 1 1 20 5667 1 1 12 GLU HB2 H 3.850 -1.404 2.057 1.00 . A A . 12 GLU HB2 1 1 20 5668 1 1 12 GLU HB3 H 5.235 -0.737 2.915 1.00 . A A . 12 GLU HB3 1 1 20 5669 1 1 12 GLU HG2 H 3.915 0.818 0.702 1.00 . A A . 12 GLU HG2 1 1 20 5670 1 1 12 GLU HG3 H 3.255 0.845 2.335 1.00 . A A . 12 GLU HG3 1 1 20 5671 1 1 12 GLU N N 4.707 -1.657 -0.180 1.00 . A A . 12 GLU N 1 1 20 5672 1 1 12 GLU O O 7.717 -2.027 1.508 1.00 . A A . 12 GLU O 1 1 20 5673 1 1 12 GLU OE1 O 5.901 1.485 3.133 1.00 . A A . 12 GLU OE1 1 1 20 5674 1 1 12 GLU OE2 O 5.286 2.742 1.506 1.00 . A A . 12 GLU OE2 1 1 20 5675 1 1 13 SER C C 8.144 -4.590 0.544 1.00 . A A . 13 SER C 1 1 20 5676 1 1 13 SER CA C 6.983 -4.610 1.554 1.00 . A A . 13 SER CA 1 1 20 5677 1 1 13 SER CB C 6.109 -5.865 1.413 1.00 . A A . 13 SER CB 1 1 20 5678 1 1 13 SER H H 5.144 -3.629 1.012 1.00 . A A . 13 SER H 1 1 20 5679 1 1 13 SER HA H 7.358 -4.527 2.554 1.00 . A A . 13 SER HA 1 1 20 5680 1 1 13 SER HB2 H 5.567 -5.831 0.478 1.00 . A A . 13 SER HB2 1 1 20 5681 1 1 13 SER HB3 H 6.724 -6.754 1.436 1.00 . A A . 13 SER HB3 1 1 20 5682 1 1 13 SER HG H 4.420 -5.352 2.205 1.00 . A A . 13 SER HG 1 1 20 5683 1 1 13 SER N N 6.083 -3.467 1.250 1.00 . A A . 13 SER N 1 1 20 5684 1 1 13 SER O O 9.276 -4.858 0.890 1.00 . A A . 13 SER O 1 1 20 5685 1 1 13 SER OG O 5.177 -5.889 2.483 1.00 . A A . 13 SER OG 1 1 20 5686 1 1 14 LEU C C 9.836 -2.908 -1.307 1.00 . A A . 14 LEU C 1 1 20 5687 1 1 14 LEU CA C 8.977 -4.079 -1.701 1.00 . A A . 14 LEU CA 1 1 20 5688 1 1 14 LEU CB C 8.299 -3.793 -3.035 1.00 . A A . 14 LEU CB 1 1 20 5689 1 1 14 LEU CD1 C 6.133 -4.445 -3.992 1.00 . A A . 14 LEU CD1 1 1 20 5690 1 1 14 LEU CD2 C 8.174 -5.754 -4.582 1.00 . A A . 14 LEU CD2 1 1 20 5691 1 1 14 LEU CG C 7.454 -4.982 -3.470 1.00 . A A . 14 LEU CG 1 1 20 5692 1 1 14 LEU H H 6.978 -3.909 -0.912 1.00 . A A . 14 LEU H 1 1 20 5693 1 1 14 LEU HA H 9.557 -4.971 -1.745 1.00 . A A . 14 LEU HA 1 1 20 5694 1 1 14 LEU HB2 H 7.661 -2.926 -2.927 1.00 . A A . 14 LEU HB2 1 1 20 5695 1 1 14 LEU HB3 H 9.046 -3.593 -3.782 1.00 . A A . 14 LEU HB3 1 1 20 5696 1 1 14 LEU HD11 H 6.189 -3.363 -4.058 1.00 . A A . 14 LEU HD11 1 1 20 5697 1 1 14 LEU HD12 H 5.340 -4.721 -3.312 1.00 . A A . 14 LEU HD12 1 1 20 5698 1 1 14 LEU HD13 H 5.939 -4.853 -4.964 1.00 . A A . 14 LEU HD13 1 1 20 5699 1 1 14 LEU HD21 H 8.120 -6.814 -4.379 1.00 . A A . 14 LEU HD21 1 1 20 5700 1 1 14 LEU HD22 H 9.209 -5.447 -4.622 1.00 . A A . 14 LEU HD22 1 1 20 5701 1 1 14 LEU HD23 H 7.703 -5.545 -5.530 1.00 . A A . 14 LEU HD23 1 1 20 5702 1 1 14 LEU HG H 7.271 -5.634 -2.624 1.00 . A A . 14 LEU HG 1 1 20 5703 1 1 14 LEU N N 7.884 -4.193 -0.681 1.00 . A A . 14 LEU N 1 1 20 5704 1 1 14 LEU O O 11.044 -2.965 -1.304 1.00 . A A . 14 LEU O 1 1 20 5705 1 1 15 LYS C C 10.791 -1.177 0.716 1.00 . A A . 15 LYS C 1 1 20 5706 1 1 15 LYS CA C 9.876 -0.675 -0.404 1.00 . A A . 15 LYS CA 1 1 20 5707 1 1 15 LYS CB C 8.679 0.137 0.096 1.00 . A A . 15 LYS CB 1 1 20 5708 1 1 15 LYS CD C 9.408 2.111 1.465 1.00 . A A . 15 LYS CD 1 1 20 5709 1 1 15 LYS CE C 8.521 3.013 2.343 1.00 . A A . 15 LYS CE 1 1 20 5710 1 1 15 LYS CG C 8.894 0.667 1.508 1.00 . A A . 15 LYS CG 1 1 20 5711 1 1 15 LYS H H 8.207 -1.895 -0.869 1.00 . A A . 15 LYS H 1 1 20 5712 1 1 15 LYS HA H 10.414 -0.160 -1.181 1.00 . A A . 15 LYS HA 1 1 20 5713 1 1 15 LYS HB2 H 8.495 0.938 -0.572 1.00 . A A . 15 LYS HB2 1 1 20 5714 1 1 15 LYS HB3 H 7.812 -0.516 0.100 1.00 . A A . 15 LYS HB3 1 1 20 5715 1 1 15 LYS HD2 H 10.427 2.144 1.823 1.00 . A A . 15 LYS HD2 1 1 20 5716 1 1 15 LYS HD3 H 9.377 2.474 0.447 1.00 . A A . 15 LYS HD3 1 1 20 5717 1 1 15 LYS HE2 H 9.004 3.966 2.506 1.00 . A A . 15 LYS HE2 1 1 20 5718 1 1 15 LYS HE3 H 7.562 3.156 1.875 1.00 . A A . 15 LYS HE3 1 1 20 5719 1 1 15 LYS HG2 H 7.952 0.634 2.031 1.00 . A A . 15 LYS HG2 1 1 20 5720 1 1 15 LYS HG3 H 9.606 0.043 2.016 1.00 . A A . 15 LYS HG3 1 1 20 5721 1 1 15 LYS HZ1 H 9.158 1.674 3.822 1.00 . A A . 15 LYS HZ1 1 1 20 5722 1 1 15 LYS HZ2 H 7.471 1.724 3.613 1.00 . A A . 15 LYS HZ2 1 1 20 5723 1 1 15 LYS HZ3 H 8.268 2.992 4.412 1.00 . A A . 15 LYS HZ3 1 1 20 5724 1 1 15 LYS N N 9.185 -1.868 -0.905 1.00 . A A . 15 LYS N 1 1 20 5725 1 1 15 LYS NZ N 8.348 2.296 3.646 1.00 . A A . 15 LYS NZ 1 1 20 5726 1 1 15 LYS O O 11.957 -0.849 0.811 1.00 . A A . 15 LYS O 1 1 20 5727 1 1 16 SER C C 12.191 -3.434 2.137 1.00 . A A . 16 SER C 1 1 20 5728 1 1 16 SER CA C 10.961 -2.667 2.653 1.00 . A A . 16 SER CA 1 1 20 5729 1 1 16 SER CB C 9.945 -3.643 3.265 1.00 . A A . 16 SER CB 1 1 20 5730 1 1 16 SER H H 9.281 -2.250 1.367 1.00 . A A . 16 SER H 1 1 20 5731 1 1 16 SER HA H 11.252 -1.936 3.381 1.00 . A A . 16 SER HA 1 1 20 5732 1 1 16 SER HB2 H 9.096 -3.733 2.611 1.00 . A A . 16 SER HB2 1 1 20 5733 1 1 16 SER HB3 H 10.406 -4.618 3.377 1.00 . A A . 16 SER HB3 1 1 20 5734 1 1 16 SER HG H 9.242 -3.917 5.057 1.00 . A A . 16 SER HG 1 1 20 5735 1 1 16 SER N N 10.225 -2.022 1.527 1.00 . A A . 16 SER N 1 1 20 5736 1 1 16 SER O O 13.322 -3.045 2.374 1.00 . A A . 16 SER O 1 1 20 5737 1 1 16 SER OG O 9.508 -3.157 4.528 1.00 . A A . 16 SER OG 1 1 20 5738 1 1 17 PHE C C 13.578 -4.844 -0.474 1.00 . A A . 17 PHE C 1 1 20 5739 1 1 17 PHE CA C 13.136 -5.326 0.920 1.00 . A A . 17 PHE CA 1 1 20 5740 1 1 17 PHE CB C 12.659 -6.799 0.883 1.00 . A A . 17 PHE CB 1 1 20 5741 1 1 17 PHE CD1 C 11.263 -6.767 -1.228 1.00 . A A . 17 PHE CD1 1 1 20 5742 1 1 17 PHE CD2 C 10.199 -7.374 0.866 1.00 . A A . 17 PHE CD2 1 1 20 5743 1 1 17 PHE CE1 C 10.046 -6.946 -1.893 1.00 . A A . 17 PHE CE1 1 1 20 5744 1 1 17 PHE CE2 C 8.981 -7.553 0.197 1.00 . A A . 17 PHE CE2 1 1 20 5745 1 1 17 PHE CG C 11.343 -6.978 0.153 1.00 . A A . 17 PHE CG 1 1 20 5746 1 1 17 PHE CZ C 8.905 -7.335 -1.180 1.00 . A A . 17 PHE CZ 1 1 20 5747 1 1 17 PHE H H 11.068 -4.815 1.262 1.00 . A A . 17 PHE H 1 1 20 5748 1 1 17 PHE HA H 13.966 -5.245 1.609 1.00 . A A . 17 PHE HA 1 1 20 5749 1 1 17 PHE HB2 H 13.404 -7.385 0.388 1.00 . A A . 17 PHE HB2 1 1 20 5750 1 1 17 PHE HB3 H 12.550 -7.152 1.896 1.00 . A A . 17 PHE HB3 1 1 20 5751 1 1 17 PHE HD1 H 12.143 -6.469 -1.781 1.00 . A A . 17 PHE HD1 1 1 20 5752 1 1 17 PHE HD2 H 10.258 -7.541 1.931 1.00 . A A . 17 PHE HD2 1 1 20 5753 1 1 17 PHE HE1 H 9.980 -6.764 -2.958 1.00 . A A . 17 PHE HE1 1 1 20 5754 1 1 17 PHE HE2 H 8.096 -7.846 0.746 1.00 . A A . 17 PHE HE2 1 1 20 5755 1 1 17 PHE HZ H 7.965 -7.472 -1.698 1.00 . A A . 17 PHE HZ 1 1 20 5756 1 1 17 PHE N N 11.981 -4.523 1.437 1.00 . A A . 17 PHE N 1 1 20 5757 1 1 17 PHE O O 14.019 -5.626 -1.292 1.00 . A A . 17 PHE O 1 1 20 5758 1 1 18 NH2 HN1 H 13.152 -2.935 -0.126 1.00 . A A . 18 NH2 HN1 1 1 20 5759 1 1 18 NH2 HN2 H 13.797 -3.268 -1.658 1.00 . A A . 18 NH2 HN2 1 1 20 5760 1 1 18 NH2 N N 13.505 -3.579 -0.777 1.00 . A A . 18 NH2 N 1 1 stop_ save_
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