NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
578843 | 2mmj | 19856 | cing | 4-filtered-FRED | STAR | entry | full | 169 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2mmj # This FRED archive file contains, for PDB entry <2mmj>: # # - 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_2mmj _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2mmj _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 2148.57 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 $maculatin_G15 A . 1 1 2 . 2 $UNKNOWN_ATOM_OR_ION B . 1 1 stop_ loop_ _PDBX_nonpoly_scheme.Entity_assembly_ID _PDBX_nonpoly_scheme.Entity_ID _PDBX_nonpoly_scheme.Mon_ID _PDBX_nonpoly_scheme.Comp_index_ID _PDBX_nonpoly_scheme.Comp_ID _PDBX_nonpoly_scheme.Entry_ID _PDBX_nonpoly_scheme.Assembly_ID 2 2 UNX 1 UNX 1 1 stop_ save_ save_maculatin_G15 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "maculatin G15" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code GLFGVLAKVAXHVVGAIAEHFX _Entity.Number_of_monomers 22 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 GLY . 1 1 2 LEU . 1 1 3 PHE . 1 1 4 GLY . 1 1 5 VAL . 1 1 6 LEU . 1 1 7 ALA . 1 1 8 LYS . 1 1 9 VAL . 1 1 10 ALA . 1 1 11 . $. 1 1 12 HIS . 1 1 13 VAL . 1 1 14 VAL . 1 1 15 GLY . 1 1 16 ALA . 1 1 17 ILE . 1 1 18 ALA . 1 1 19 GLU . 1 1 20 HIS . 1 1 21 PHE . 1 1 22 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 GLY 1 1 1 1 LEU 2 2 1 1 PHE 3 3 1 1 GLY 4 4 1 1 VAL 5 5 1 1 LEU 6 6 1 1 ALA 7 7 1 1 LYS 8 8 1 1 VAL 9 9 1 1 ALA 10 10 1 1 . 11 11 1 1 HIS 12 12 1 1 VAL 13 13 1 1 VAL 14 14 1 1 GLY 15 15 1 1 ALA 16 16 1 1 ILE 17 17 1 1 ALA 18 18 1 1 GLU 19 19 1 1 HIS 20 20 1 1 PHE 21 21 1 1 NH2 22 22 1 1 stop_ save_ save_UNKNOWN_ATOM_OR_ION _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 2 _Entity.Name "UNKNOWN ATOM OR ION" _Entity.Type non-polymer 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 UNX $UNX 1 2 stop_ save_ save_UNX _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID UNX _Chem_comp.Type non-polymer save_ save_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID NH2 _Chem_comp.Type non-polymer save_ save_. _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID . _Chem_comp.Type non-polymer save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 2 LEU HA . 2 . HA 1 1 1 1 2 1 1 2 LEU QB . 2 . HB# 1 1 2 1 1 1 1 2 LEU HA . 2 . HA 1 1 2 1 2 1 1 2 LEU QD . 2 . HD* 1 1 3 1 1 1 1 2 LEU HA . 2 . HA 1 1 3 1 2 1 1 5 VAL H . 5 . HN 1 1 4 1 1 1 1 2 LEU HA . 2 . HA 1 1 4 1 2 1 1 5 VAL HB . 5 . HB 1 1 5 1 1 1 1 2 LEU HA . 2 . HA 1 1 5 1 2 1 1 5 VAL QG . 5 . HG* 1 1 6 1 1 1 1 2 LEU QB . 2 . HB# 1 1 6 1 2 1 1 3 PHE H . 3 . HN 1 1 7 1 1 1 1 2 LEU QB . 2 . HB# 1 1 7 1 2 1 1 3 PHE QD . 3 . HD# 1 1 8 1 1 1 1 2 LEU QD . 2 . HD* 1 1 8 1 2 1 1 3 PHE QD . 3 . HD# 1 1 9 1 1 1 1 3 PHE H . 3 . HN 1 1 9 1 2 1 1 3 PHE QB . 3 . HB# 1 1 10 1 1 1 1 3 PHE H . 3 . HN 1 1 10 1 2 1 1 4 GLY H . 4 . HN 1 1 11 1 1 1 1 3 PHE HA . 3 . HA 1 1 11 1 2 1 1 3 PHE QD . 3 . HD# 1 1 12 1 1 1 1 3 PHE HA . 3 . HA 1 1 12 1 2 1 1 6 LEU H . 6 . HN 1 1 13 1 1 1 1 3 PHE HA . 3 . HA 1 1 13 1 2 1 1 6 LEU QB . 6 . HB# 1 1 14 1 1 1 1 3 PHE HA . 3 . HA 1 1 14 1 2 1 1 6 LEU QD . 6 . HD* 1 1 15 1 1 1 1 3 PHE HA . 3 . HA 1 1 15 1 2 1 1 7 ALA H . 7 . HN 1 1 16 1 1 1 1 3 PHE QB . 3 . HB# 1 1 16 1 2 1 1 4 GLY H . 4 . HN 1 1 17 1 1 1 1 3 PHE QD . 3 . HD# 1 1 17 1 2 1 1 6 LEU QB . 6 . HB# 1 1 18 1 1 1 1 4 GLY H . 4 . HN 1 1 18 1 2 1 1 4 GLY QA . 4 . HA# 1 1 19 1 1 1 1 4 GLY H . 4 . HN 1 1 19 1 2 1 1 5 VAL H . 5 . HN 1 1 20 1 1 1 1 4 GLY QA . 4 . HA# 1 1 20 1 2 1 1 7 ALA H . 7 . HN 1 1 21 1 1 1 1 4 GLY QA . 4 . HA# 1 1 21 1 2 1 1 7 ALA MB . 7 . HB* 1 1 22 1 1 1 1 5 VAL H . 5 . HN 1 1 22 1 2 1 1 5 VAL HA . 5 . HA 1 1 23 1 1 1 1 5 VAL H . 5 . HN 1 1 23 1 2 1 1 5 VAL HB . 5 . HB 1 1 24 1 1 1 1 5 VAL H . 5 . HN 1 1 24 1 2 1 1 5 VAL QG . 5 . HG* 1 1 25 1 1 1 1 5 VAL H . 5 . HN 1 1 25 1 2 1 1 6 LEU H . 6 . HN 1 1 26 1 1 1 1 5 VAL HA . 5 . HA 1 1 26 1 2 1 1 5 VAL HB . 5 . HB 1 1 27 1 1 1 1 5 VAL HA . 5 . HA 1 1 27 1 2 1 1 7 ALA H . 7 . HN 1 1 28 1 1 1 1 5 VAL HA . 5 . HA 1 1 28 1 2 1 1 8 LYS H . 8 . HN 1 1 29 1 1 1 1 5 VAL HA . 5 . HA 1 1 29 1 2 1 1 8 LYS QB . 8 . HB# 1 1 30 1 1 1 1 5 VAL HB . 5 . HB 1 1 30 1 2 1 1 6 LEU H . 6 . HN 1 1 31 1 1 1 1 5 VAL QG . 5 . HG* 1 1 31 1 2 1 1 6 LEU H . 6 . HN 1 1 32 1 1 1 1 6 LEU H . 6 . HN 1 1 32 1 2 1 1 6 LEU QB . 6 . HB# 1 1 33 1 1 1 1 6 LEU H . 6 . HN 1 1 33 1 2 1 1 6 LEU HG . 6 . HG 1 1 34 1 1 1 1 6 LEU H . 6 . HN 1 1 34 1 2 1 1 7 ALA H . 7 . HN 1 1 35 1 1 1 1 6 LEU HA . 6 . HA 1 1 35 1 2 1 1 6 LEU QD . 6 . HD* 1 1 36 1 1 1 1 6 LEU HA . 6 . HA 1 1 36 1 2 1 1 9 VAL H . 9 . HN 1 1 37 1 1 1 1 6 LEU HA . 6 . HA 1 1 37 1 2 1 1 9 VAL HB . 9 . HB 1 1 38 1 1 1 1 6 LEU HA . 6 . HA 1 1 38 1 2 1 1 9 VAL QG . 9 . HG* 1 1 39 1 1 1 1 6 LEU QB . 6 . HB# 1 1 39 1 2 1 1 7 ALA H . 7 . HN 1 1 40 1 1 1 1 7 ALA H . 7 . HN 1 1 40 1 2 1 1 7 ALA HA . 7 . HA 1 1 41 1 1 1 1 7 ALA H . 7 . HN 1 1 41 1 2 1 1 7 ALA MB . 7 . HB* 1 1 42 1 1 1 1 7 ALA H . 7 . HN 1 1 42 1 2 1 1 8 LYS H . 8 . HN 1 1 43 1 1 1 1 7 ALA HA . 7 . HA 1 1 43 1 2 1 1 9 VAL H . 9 . HN 1 1 44 1 1 1 1 7 ALA HA . 7 . HA 1 1 44 1 2 1 1 10 ALA H . 10 . HN 1 1 45 1 1 1 1 7 ALA HA . 7 . HA 1 1 45 1 2 1 1 10 ALA MB . 10 . HB* 1 1 46 1 1 1 1 7 ALA MB . 7 . HB* 1 1 46 1 2 1 1 8 LYS H . 8 . HN 1 1 47 1 1 1 1 8 LYS H . 8 . HN 1 1 47 1 2 1 1 8 LYS HA . 8 . HA 1 1 48 1 1 1 1 8 LYS H . 8 . HN 1 1 48 1 2 1 1 8 LYS QB . 8 . HB# 1 1 49 1 1 1 1 8 LYS H . 8 . HN 1 1 49 1 2 1 1 8 LYS QG . 8 . HG# 1 1 50 1 1 1 1 8 LYS H . 8 . HN 1 1 50 1 2 1 1 9 VAL H . 9 . HN 1 1 51 1 1 1 1 8 LYS HA . 8 . HA 1 1 51 1 2 1 1 8 LYS QG . 8 . HG# 1 1 52 1 1 1 1 8 LYS HA . 8 . HA 1 1 52 1 2 1 1 9 VAL H . 9 . HN 1 1 53 1 1 1 1 8 LYS QB . 8 . HB# 1 1 53 1 2 1 1 9 VAL H . 9 . HN 1 1 54 1 1 1 1 9 VAL H . 9 . HN 1 1 54 1 2 1 1 9 VAL HB . 9 . HB 1 1 55 1 1 1 1 9 VAL H . 9 . HN 1 1 55 1 2 1 1 9 VAL QG . 9 . HG* 1 1 56 1 1 1 1 9 VAL H . 9 . HN 1 1 56 1 2 1 1 10 ALA H . 10 . HN 1 1 57 1 1 1 1 9 VAL HA . 9 . HA 1 1 57 1 2 1 1 12 HIS HD2 . 12 . HD2 1 1 58 1 1 1 1 9 VAL HB . 9 . HB 1 1 58 1 2 1 1 12 HIS HD2 . 12 . HD2 1 1 59 1 1 1 1 9 VAL QG . 9 . HG* 1 1 59 1 2 1 1 10 ALA H . 10 . HN 1 1 60 1 1 1 1 10 ALA HA . 10 . HA 1 1 60 1 2 1 1 13 VAL H . 13 . HN 1 1 61 1 1 1 1 10 ALA HA . 10 . HA 1 1 61 1 2 1 1 13 VAL HB . 13 . HB 1 1 62 1 1 1 1 10 ALA HA . 10 . HA 1 1 62 1 2 1 1 13 VAL QG . 13 . HG* 1 1 63 1 1 1 1 10 ALA MB . 10 . HB* 1 1 63 1 2 1 1 13 VAL QG . 13 . HG* 1 1 64 1 1 1 1 12 HIS HA . 12 . HA 1 1 64 1 2 1 1 12 HIS HD2 . 12 . HD2 1 1 65 1 1 1 1 13 VAL H . 13 . HN 1 1 65 1 2 1 1 13 VAL HB . 13 . HB 1 1 66 1 1 1 1 13 VAL HA . 13 . HA 1 1 66 1 2 1 1 16 ALA H . 16 . HN 1 1 67 1 1 1 1 13 VAL HA . 13 . HA 1 1 67 1 2 1 1 16 ALA MB . 16 . HB* 1 1 68 1 1 1 1 13 VAL HB . 13 . HB 1 1 68 1 2 1 1 14 VAL H . 14 . HN 1 1 69 1 1 1 1 14 VAL H . 14 . HN 1 1 69 1 2 1 1 14 VAL HB . 14 . HB 1 1 70 1 1 1 1 14 VAL HA . 14 . HA 1 1 70 1 2 1 1 16 ALA H . 16 . HN 1 1 71 1 1 1 1 14 VAL HA . 14 . HA 1 1 71 1 2 1 1 17 ILE H . 17 . HN 1 1 72 1 1 1 1 14 VAL HA . 14 . HA 1 1 72 1 2 1 1 17 ILE HB . 17 . HB 1 1 73 1 1 1 1 14 VAL HA . 14 . HA 1 1 73 1 2 1 1 17 ILE MD . 17 . HD* 1 1 74 1 1 1 1 14 VAL HA . 14 . HA 1 1 74 1 2 1 1 18 ALA H . 18 . HN 1 1 75 1 1 1 1 14 VAL HB . 14 . HB 1 1 75 1 2 1 1 15 GLY H . 15 . HN 1 1 76 1 1 1 1 14 VAL QG . 14 . HG* 1 1 76 1 2 1 1 15 GLY H . 15 . HN 1 1 77 1 1 1 1 15 GLY H . 15 . HN 1 1 77 1 2 1 1 15 GLY QA . 15 . HA# 1 1 78 1 1 1 1 15 GLY H . 15 . HN 1 1 78 1 2 1 1 16 ALA H . 16 . HN 1 1 79 1 1 1 1 15 GLY QA . 15 . HA# 1 1 79 1 2 1 1 16 ALA H . 16 . HN 1 1 80 1 1 1 1 15 GLY QA . 15 . HA# 1 1 80 1 2 1 1 18 ALA H . 18 . HN 1 1 81 1 1 1 1 15 GLY QA . 15 . HA# 1 1 81 1 2 1 1 18 ALA MB . 18 . HB* 1 1 82 1 1 1 1 16 ALA H . 16 . HN 1 1 82 1 2 1 1 16 ALA HA . 16 . HA 1 1 83 1 1 1 1 16 ALA H . 16 . HN 1 1 83 1 2 1 1 16 ALA MB . 16 . HB* 1 1 84 1 1 1 1 16 ALA H . 16 . HN 1 1 84 1 2 1 1 17 ILE H . 17 . HN 1 1 85 1 1 1 1 16 ALA HA . 16 . HA 1 1 85 1 2 1 1 19 GLU H . 19 . HN 1 1 86 1 1 1 1 16 ALA HA . 16 . HA 1 1 86 1 2 1 1 19 GLU QB . 19 . HB# 1 1 87 1 1 1 1 16 ALA MB . 16 . HB* 1 1 87 1 2 1 1 17 ILE H . 17 . HN 1 1 88 1 1 1 1 16 ALA MB . 16 . HB* 1 1 88 1 2 1 1 20 HIS HD2 . 20 . HD2 1 1 89 1 1 1 1 17 ILE H . 17 . HN 1 1 89 1 2 1 1 17 ILE HA . 17 . HA 1 1 90 1 1 1 1 17 ILE H . 17 . HN 1 1 90 1 2 1 1 17 ILE HB . 17 . HB 1 1 91 1 1 1 1 17 ILE H . 17 . HN 1 1 91 1 2 1 1 17 ILE MD . 17 . HD* 1 1 92 1 1 1 1 17 ILE H . 17 . HN 1 1 92 1 2 1 1 17 ILE QG . 17 . HG1# 1 1 93 1 1 1 1 17 ILE H . 17 . HN 1 1 93 1 2 1 1 18 ALA H . 18 . HN 1 1 94 1 1 1 1 17 ILE HA . 17 . HA 1 1 94 1 2 1 1 17 ILE HB . 17 . HB 1 1 95 1 1 1 1 17 ILE HA . 17 . HA 1 1 95 1 2 1 1 17 ILE QG . 17 . HG1# 1 1 96 1 1 1 1 17 ILE HA . 17 . HA 1 1 96 1 2 1 1 17 ILE MG . 17 . HG2* 1 1 97 1 1 1 1 17 ILE HA . 17 . HA 1 1 97 1 2 1 1 18 ALA H . 18 . HN 1 1 98 1 1 1 1 17 ILE HA . 17 . HA 1 1 98 1 2 1 1 19 GLU H . 19 . HN 1 1 99 1 1 1 1 17 ILE HA . 17 . HA 1 1 99 1 2 1 1 20 HIS H . 20 . HN 1 1 100 1 1 1 1 17 ILE HA . 17 . HA 1 1 100 1 2 1 1 20 HIS QB . 20 . HB# 1 1 101 1 1 1 1 17 ILE HA . 17 . HA 1 1 101 1 2 1 1 20 HIS HD2 . 20 . HD2 1 1 102 1 1 1 1 17 ILE HA . 17 . HA 1 1 102 1 2 1 1 21 PHE QD . 21 . HD# 1 1 103 1 1 1 1 17 ILE HB . 17 . HB 1 1 103 1 2 1 1 18 ALA H . 18 . HN 1 1 104 1 1 1 1 17 ILE QG . 17 . HG1# 1 1 104 1 2 1 1 18 ALA H . 18 . HN 1 1 105 1 1 1 1 17 ILE QG . 17 . HG1# 1 1 105 1 2 1 1 20 HIS HD2 . 20 . HD2 1 1 106 1 1 1 1 17 ILE MG . 17 . HG2* 1 1 106 1 2 1 1 18 ALA H . 18 . HN 1 1 107 1 1 1 1 17 ILE MG . 17 . HG2* 1 1 107 1 2 1 1 18 ALA HA . 18 . HA 1 1 108 1 1 1 1 17 ILE MG . 17 . HG2* 1 1 108 1 2 1 1 21 PHE QD . 21 . HD# 1 1 109 1 1 1 1 17 ILE MG . 17 . HG2* 1 1 109 1 2 1 1 21 PHE QE . 21 . HE# 1 1 110 1 1 1 1 18 ALA H . 18 . HN 1 1 110 1 2 1 1 18 ALA HA . 18 . HA 1 1 111 1 1 1 1 18 ALA H . 18 . HN 1 1 111 1 2 1 1 18 ALA MB . 18 . HB* 1 1 112 1 1 1 1 18 ALA H . 18 . HN 1 1 112 1 2 1 1 19 GLU H . 19 . HN 1 1 113 1 1 1 1 18 ALA HA . 18 . HA 1 1 113 1 2 1 1 21 PHE H . 21 . HN 1 1 114 1 1 1 1 18 ALA HA . 18 . HA 1 1 114 1 2 1 1 21 PHE QB . 21 . HB# 1 1 115 1 1 1 1 18 ALA HA . 18 . HA 1 1 115 1 2 1 1 21 PHE QD . 21 . HD# 1 1 116 1 1 1 1 18 ALA MB . 18 . HB* 1 1 116 1 2 1 1 19 GLU H . 19 . HN 1 1 117 1 1 1 1 18 ALA MB . 18 . HB* 1 1 117 1 2 1 1 20 HIS HD2 . 20 . HD2 1 1 118 1 1 1 1 19 GLU H . 19 . HN 1 1 118 1 2 1 1 19 GLU HA . 19 . HA 1 1 119 1 1 1 1 19 GLU H . 19 . HN 1 1 119 1 2 1 1 19 GLU QB . 19 . HB# 1 1 120 1 1 1 1 19 GLU H . 19 . HN 1 1 120 1 2 1 1 20 HIS H . 20 . HN 1 1 121 1 1 1 1 19 GLU HA . 19 . HA 1 1 121 1 2 1 1 19 GLU QB . 19 . HB# 1 1 122 1 1 1 1 19 GLU HA . 19 . HA 1 1 122 1 2 1 1 20 HIS H . 20 . HN 1 1 123 1 1 1 1 19 GLU HA . 19 . HA 1 1 123 1 2 1 1 21 PHE H . 21 . HN 1 1 124 1 1 1 1 19 GLU QB . 19 . HB# 1 1 124 1 2 1 1 20 HIS H . 20 . HN 1 1 125 1 1 1 1 19 GLU QB . 19 . HB# 1 1 125 1 2 1 1 20 HIS HD2 . 20 . HD2 1 1 126 1 1 1 1 20 HIS H . 20 . HN 1 1 126 1 2 1 1 20 HIS HA . 20 . HA 1 1 127 1 1 1 1 20 HIS H . 20 . HN 1 1 127 1 2 1 1 20 HIS QB . 20 . HB# 1 1 128 1 1 1 1 20 HIS H . 20 . HN 1 1 128 1 2 1 1 20 HIS HD2 . 20 . HD2 1 1 129 1 1 1 1 20 HIS H . 20 . HN 1 1 129 1 2 1 1 21 PHE H . 21 . HN 1 1 130 1 1 1 1 20 HIS HA . 20 . HA 1 1 130 1 2 1 1 20 HIS HD2 . 20 . HD2 1 1 131 1 1 1 1 20 HIS QB . 20 . HB# 1 1 131 1 2 1 1 21 PHE H . 21 . HN 1 1 132 1 1 1 1 20 HIS QB . 20 . HB# 1 1 132 1 2 1 1 21 PHE QD . 21 . HD# 1 1 133 1 1 1 1 20 HIS QB . 20 . HB# 1 1 133 1 2 1 1 21 PHE QE . 21 . HE# 1 1 134 1 1 1 1 20 HIS HD2 . 20 . HD2 1 1 134 1 2 1 1 21 PHE HA . 21 . HA 1 1 135 1 1 1 1 20 HIS HD2 . 20 . HD2 1 1 135 1 2 1 1 21 PHE QD . 21 . HD# 1 1 136 1 1 1 1 20 HIS HD2 . 20 . HD2 1 1 136 1 2 1 1 21 PHE QE . 21 . HE# 1 1 137 1 1 1 1 21 PHE H . 21 . HN 1 1 137 1 2 1 1 21 PHE QB . 21 . HB# 1 1 138 1 1 1 1 21 PHE HA . 21 . HA 1 1 138 1 2 1 1 21 PHE QB . 21 . HB# 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.58 1.0 2.58 1 1 2 1 . . . . . 4.08 1.0 4.08 1 1 3 1 . . . . . 5.41 1.0 5.41 1 1 4 1 . . . . . 4.26 1.0 4.26 1 1 5 1 . . . . . 4.48 1.0 4.48 1 1 6 1 . . . . . 3.18 1.0 3.18 1 1 7 1 . . . . . 5.08 1.0 5.08 1 1 8 1 . . . . . 4.59 1.0 4.59 1 1 9 1 . . . . . 3.27 1.0 3.27 1 1 10 1 . . . . . 3.52 1.0 3.52 1 1 11 1 . . . . . 3.55 1.0 3.55 1 1 12 1 . . . . . 3.67 1.0 3.67 1 1 13 1 . . . . . 3.05 1.0 3.05 1 1 14 1 . . . . . 5.05 1.0 5.05 1 1 15 1 . . . . . 4.6 1.0 4.6 1 1 16 1 . . . . . . 1.0 3.26 1 1 17 1 . . . . . 5.5 1.0 5.5 1 1 18 1 . . . . . . 1.0 2.52 1 1 19 1 . . . . . 2.93 1.0 2.93 1 1 20 1 . . . . . 5.5 1.0 5.5 1 1 21 1 . . . . . 4.6 1.0 4.6 1 1 22 1 . . . . . 2.9 1.0 2.9 1 1 23 1 . . . . . 2.52 1.0 2.52 1 1 24 1 . . . . . . 1.0 3.79 1 1 25 1 . . . . . 2.77 1.0 2.77 1 1 26 1 . . . . . 2.93 1.0 2.93 1 1 27 1 . . . . . 3.61 1.0 3.61 1 1 28 1 . . . . . 3.55 1.0 3.55 1 1 29 1 . . . . . 3.69 1.0 3.69 1 1 30 1 . . . . . 3.05 1.0 3.05 1 1 31 1 . . . . . . 1.0 5.17 1 1 32 1 . . . . . . 1.0 2.99 1 1 33 1 . . . . . 3.42 1.0 3.42 1 1 34 1 . . . . . 3.3 1.0 3.3 1 1 35 1 . . . . . 4.2 1.0 4.2 1 1 36 1 . . . . . 3.7 1.0 3.7 1 1 37 1 . . . . . 5.13 1.0 5.13 1 1 38 1 . . . . . 3.9 1.0 3.9 1 1 39 1 . . . . . 3.14 1.0 3.14 1 1 40 1 . . . . . 2.8 1.0 2.8 1 1 41 1 . . . . . 3.6 1.0 3.6 1 1 42 1 . . . . . 2.96 1.0 2.96 1 1 43 1 . . . . . 4.82 1.0 4.82 1 1 44 1 . . . . . 4.57 1.0 4.57 1 1 45 1 . . . . . 4.5 1.0 4.5 1 1 46 1 . . . . . 4.38 1.0 4.38 1 1 47 1 . . . . . 2.87 1.0 2.87 1 1 48 1 . . . . . . 1.0 2.6 1 1 49 1 . . . . . 3.76 1.0 3.76 1 1 50 1 . . . . . 2.65 1.0 2.65 1 1 51 1 . . . . . 3.72 1.0 3.72 1 1 52 1 . . . . . 3.52 1.0 3.52 1 1 53 1 . . . . . 3.73 1.0 3.73 1 1 54 1 . . . . . 3.3 1.0 3.3 1 1 55 1 . . . . . . 1.0 3.74 1 1 56 1 . . . . . 2.74 1.0 2.74 1 1 57 1 . . . . . 3.55 1.0 3.55 1 1 58 1 . . . . . 5.5 1.0 5.5 1 1 59 1 . . . . . . 1.0 4.99 1 1 60 1 . . . . . 4.07 1.0 4.07 1 1 61 1 . . . . . 3.83 1.0 3.83 1 1 62 1 . . . . . 6.42 1.0 6.42 1 1 63 1 . . . . . 6.92 1.0 6.92 1 1 64 1 . . . . . 5.28 1.0 5.28 1 1 65 1 . . . . . 3.7 1.0 3.7 1 1 66 1 . . . . . 3.52 1.0 3.52 1 1 67 1 . . . . . 3.88 1.0 3.88 1 1 68 1 . . . . . 3.67 1.0 3.67 1 1 69 1 . . . . . 2.71 1.0 2.71 1 1 70 1 . . . . . 4.94 1.0 4.94 1 1 71 1 . . . . . 3.52 1.0 3.52 1 1 72 1 . . . . . 3.14 1.0 3.14 1 1 73 1 . . . . . 4.72 1.0 4.72 1 1 74 1 . . . . . 4.17 1.0 4.17 1 1 75 1 . . . . . 2.93 1.0 2.93 1 1 76 1 . . . . . . 1.0 5.03 1 1 77 1 . . . . . 2.56 1.0 2.56 1 1 78 1 . . . . . 3.02 1.0 3.02 1 1 79 1 . . . . . 3.02 1.0 3.02 1 1 80 1 . . . . . 5.04 1.0 5.04 1 1 81 1 . . . . . 4.66 1.0 4.66 1 1 82 1 . . . . . 2.87 1.0 2.87 1 1 83 1 . . . . . 3.54 1.0 3.54 1 1 84 1 . . . . . 2.87 1.0 2.87 1 1 85 1 . . . . . 3.36 1.0 3.36 1 1 86 1 . . . . . 4.82 1.0 4.82 1 1 87 1 . . . . . 4.26 1.0 4.26 1 1 88 1 . . . . . 6.52 1.0 6.52 1 1 89 1 . . . . . 2.9 1.0 2.9 1 1 90 1 . . . . . 2.59 1.0 2.59 1 1 91 1 . . . . . 5.34 1.0 5.34 1 1 92 1 . . . . . 2.87 1.0 2.87 1 1 93 1 . . . . . 2.83 1.0 2.83 1 1 94 1 . . . . . 3.02 1.0 3.02 1 1 95 1 . . . . . 3.08 1.0 3.08 1 1 96 1 . . . . . 3.7 1.0 3.7 1 1 97 1 . . . . . 3.48 1.0 3.48 1 1 98 1 . . . . . 4.23 1.0 4.23 1 1 99 1 . . . . . 3.67 1.0 3.67 1 1 100 1 . . . . . 4.27 1.0 4.27 1 1 101 1 . . . . . 4.88 1.0 4.88 1 1 102 1 . . . . . 7.29 1.0 7.29 1 1 103 1 . . . . . 2.74 1.0 2.74 1 1 104 1 . . . . . 5.34 1.0 5.34 1 1 105 1 . . . . . 5.34 1.0 5.34 1 1 106 1 . . . . . 4.97 1.0 4.97 1 1 107 1 . . . . . 5.19 1.0 5.19 1 1 108 1 . . . . . 7.1 1.0 7.1 1 1 109 1 . . . . . 7.84 1.0 7.84 1 1 110 1 . . . . . 2.87 1.0 2.87 1 1 111 1 . . . . . 3.51 1.0 3.51 1 1 112 1 . . . . . 2.87 1.0 2.87 1 1 113 1 . . . . . 3.79 1.0 3.79 1 1 114 1 . . . . . . 1.0 3.49 1 1 115 1 . . . . . 7.63 1.0 7.63 1 1 116 1 . . . . . 3.95 1.0 3.95 1 1 117 1 . . . . . 6.52 1.0 6.52 1 1 118 1 . . . . . 2.93 1.0 2.93 1 1 119 1 . . . . . 2.59 1.0 2.59 1 1 120 1 . . . . . 2.74 1.0 2.74 1 1 121 1 . . . . . 2.71 1.0 2.71 1 1 122 1 . . . . . 3.48 1.0 3.48 1 1 123 1 . . . . . 4.26 1.0 4.26 1 1 124 1 . . . . . . 1.0 3.11 1 1 125 1 . . . . . 5.5 1.0 5.5 1 1 126 1 . . . . . 2.9 1.0 2.9 1 1 127 1 . . . . . 3.59 1.0 3.59 1 1 128 1 . . . . . 5.41 1.0 5.41 1 1 129 1 . . . . . 2.96 1.0 2.96 1 1 130 1 . . . . . 5.0 1.0 5.0 1 1 131 1 . . . . . 4.27 1.0 4.27 1 1 132 1 . . . . . 8.51 1.0 8.51 1 1 133 1 . . . . . 8.51 1.0 8.51 1 1 134 1 . . . . . 5.5 1.0 5.5 1 1 135 1 . . . . . 7.63 1.0 7.63 1 1 136 1 . . . . . 7.63 1.0 7.63 1 1 137 1 . . . . . . 1.0 2.57 1 1 138 1 . . . . . 2.63 1.0 2.63 1 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 1 GLY C 1 1 2 LEU N 1 1 2 LEU CA 1 1 2 LEU C -89.99999 -30.0 . 1 . C . 2 . N . 2 . CA . 2 . C 1 1 2 . 1 1 2 LEU N 1 1 2 LEU CA 1 1 2 LEU C 1 1 3 PHE N -73.0 -13.0 . 2 . N . 2 . CA . 2 . C . 3 . N 1 1 3 . 1 1 2 LEU C 1 1 3 PHE N 1 1 3 PHE CA 1 1 3 PHE C -92.0 -32.0 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1 4 . 1 1 3 PHE N 1 1 3 PHE CA 1 1 3 PHE C 1 1 4 GLY N -68.0 -8.0 . 3 . N . 3 . CA . 3 . C . 4 . N 1 1 5 . 1 1 3 PHE C 1 1 4 GLY N 1 1 4 GLY CA 1 1 4 GLY C -95.99999 -36.0 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1 6 . 1 1 4 GLY N 1 1 4 GLY CA 1 1 4 GLY C 1 1 5 VAL N -69.0 -9.0 . 4 . N . 4 . CA . 4 . C . 5 . N 1 1 7 . 1 1 4 GLY C 1 1 5 VAL N 1 1 5 VAL CA 1 1 5 VAL C -97.0 -37.0 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1 8 . 1 1 5 VAL N 1 1 5 VAL CA 1 1 5 VAL C 1 1 6 LEU N -73.0 -13.0 . 5 . N . 5 . CA . 5 . C . 6 . N 1 1 9 . 1 1 5 VAL C 1 1 6 LEU N 1 1 6 LEU CA 1 1 6 LEU C -95.99999 -36.0 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1 10 . 1 1 6 LEU N 1 1 6 LEU CA 1 1 6 LEU C 1 1 7 ALA N -69.0 -9.0 . 6 . N . 6 . CA . 6 . C . 7 . N 1 1 11 . 1 1 6 LEU C 1 1 7 ALA N 1 1 7 ALA CA 1 1 7 ALA C -97.0 -37.0 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1 12 . 1 1 7 ALA N 1 1 7 ALA CA 1 1 7 ALA C 1 1 8 LYS N -68.0 -8.0 . 7 . N . 7 . CA . 7 . C . 8 . N 1 1 13 . 1 1 7 ALA C 1 1 8 LYS N 1 1 8 LYS CA 1 1 8 LYS C -107.0 -47.0 . 7 . C . 8 . N . 8 . CA . 8 . C 1 1 14 . 1 1 8 LYS N 1 1 8 LYS CA 1 1 8 LYS C 1 1 9 VAL N -53.0 7.0 . 8 . N . 8 . CA . 8 . C . 9 . N 1 1 15 . 1 1 12 HIS C 1 1 13 VAL N 1 1 13 VAL CA 1 1 13 VAL C -92.0 -32.0 . 12 . C . 13 . N . 13 . CA . 13 . C 1 1 16 . 1 1 13 VAL N 1 1 13 VAL CA 1 1 13 VAL C 1 1 14 VAL N -71.0 -11.0 . 13 . N . 13 . CA . 13 . C . 14 . N 1 1 17 . 1 1 13 VAL C 1 1 14 VAL N 1 1 14 VAL CA 1 1 14 VAL C -94.0 -34.0 . 13 . C . 14 . N . 14 . CA . 14 . C 1 1 18 . 1 1 14 VAL N 1 1 14 VAL CA 1 1 14 VAL C 1 1 15 GLY N -72.0 -11.999999 . 14 . N . 14 . CA . 14 . C . 15 . N 1 1 19 . 1 1 14 VAL C 1 1 15 GLY N 1 1 15 GLY CA 1 1 15 GLY C -95.0 -35.0 . 14 . C . 15 . N . 15 . CA . 15 . C 1 1 20 . 1 1 15 GLY N 1 1 15 GLY CA 1 1 15 GLY C 1 1 16 ALA N -68.0 -8.0 . 15 . N . 15 . CA . 15 . C . 16 . N 1 1 21 . 1 1 15 GLY C 1 1 16 ALA N 1 1 16 ALA CA 1 1 16 ALA C -94.0 -34.0 . 15 . C . 16 . N . 16 . CA . 16 . C 1 1 22 . 1 1 16 ALA N 1 1 16 ALA CA 1 1 16 ALA C 1 1 17 ILE N -73.0 -13.0 . 16 . N . 16 . CA . 16 . C . 17 . N 1 1 23 . 1 1 16 ALA C 1 1 17 ILE N 1 1 17 ILE CA 1 1 17 ILE C -97.0 -37.0 . 16 . C . 17 . N . 17 . CA . 17 . C 1 1 24 . 1 1 17 ILE N 1 1 17 ILE CA 1 1 17 ILE C 1 1 18 ALA N -71.0 -11.0 . 17 . N . 17 . CA . 17 . C . 18 . N 1 1 25 . 1 1 17 ILE C 1 1 18 ALA N 1 1 18 ALA CA 1 1 18 ALA C -93.0 -33.0 . 17 . C . 18 . N . 18 . CA . 18 . C 1 1 26 . 1 1 18 ALA N 1 1 18 ALA CA 1 1 18 ALA C 1 1 19 GLU N -71.0 -11.0 . 18 . N . 18 . CA . 18 . C . 19 . N 1 1 27 . 1 1 18 ALA C 1 1 19 GLU N 1 1 19 GLU CA 1 1 19 GLU C -99.0 -39.0 . 18 . C . 19 . N . 19 . CA . 19 . C 1 1 28 . 1 1 19 GLU N 1 1 19 GLU CA 1 1 19 GLU C 1 1 20 HIS N -68.0 -8.0 . 19 . N . 19 . CA . 19 . C . 20 . N 1 1 29 . 1 1 19 GLU C 1 1 20 HIS N 1 1 20 HIS CA 1 1 20 HIS C -95.0 -35.0 . 19 . C . 20 . N . 20 . CA . 20 . C 1 1 30 . 1 1 20 HIS N 1 1 20 HIS CA 1 1 20 HIS C 1 1 21 PHE N -69.0 -9.0 . 20 . N . 20 . CA . 20 . C . 21 . N 1 1 31 . 1 1 20 HIS N 1 1 20 HIS CA 1 1 20 HIS C 1 1 21 PHE N -69.0 -9.0 . 20 . N . 20 . CA . 20 . C . 21 . N 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 GLY C C -3.797 -16.263 0.336 1.00 . A A . 1 GLY C 1 1 1 2 1 1 1 GLY CA C -3.508 -17.487 1.182 1.00 . A A . 1 GLY CA 1 1 1 3 1 1 1 GLY H1 H -4.798 -16.672 2.607 1.00 . A A . 1 GLY H1 1 1 1 4 1 1 1 GLY H2 H -4.799 -18.305 2.605 1.00 . A A . 1 GLY H2 1 1 1 5 1 1 1 GLY H3 H -3.768 -17.489 3.283 1.00 . A A . 1 GLY H3 1 1 1 6 1 1 1 GLY HA2 H -2.451 -17.517 1.404 1.00 . A A . 1 GLY HA2 1 1 1 7 1 1 1 GLY HA3 H -3.772 -18.370 0.618 1.00 . A A . 1 GLY HA3 1 1 1 8 1 1 1 GLY N N -4.249 -17.488 2.429 1.00 . A A . 1 GLY N 1 1 1 9 1 1 1 GLY O O -2.952 -15.826 -0.447 1.00 . A A . 1 GLY O 1 1 1 10 1 1 2 LEU C C -4.766 -13.266 0.320 1.00 . A A . 2 LEU C 1 1 1 11 1 1 2 LEU CA C -5.394 -14.527 -0.266 1.00 . A A . 2 LEU CA 1 1 1 12 1 1 2 LEU CB C -6.918 -14.394 -0.274 1.00 . A A . 2 LEU CB 1 1 1 13 1 1 2 LEU CD1 C -9.172 -15.292 -0.905 1.00 . A A . 2 LEU CD1 1 1 1 14 1 1 2 LEU CD2 C -7.350 -15.182 -2.615 1.00 . A A . 2 LEU CD2 1 1 1 15 1 1 2 LEU CG C -7.674 -15.399 -1.144 1.00 . A A . 2 LEU CG 1 1 1 16 1 1 2 LEU H H -5.624 -16.101 1.130 1.00 . A A . 2 LEU H 1 1 1 17 1 1 2 LEU HA H -5.045 -14.650 -1.280 1.00 . A A . 2 LEU HA 1 1 1 18 1 1 2 LEU HB2 H -7.265 -14.509 0.741 1.00 . A A . 2 LEU HB2 1 1 1 19 1 1 2 LEU HB3 H -7.160 -13.402 -0.627 1.00 . A A . 2 LEU HB3 1 1 1 20 1 1 2 LEU HD11 H -9.553 -16.246 -0.573 1.00 . A A . 2 LEU HD11 1 1 1 21 1 1 2 LEU HD12 H -9.663 -15.007 -1.823 1.00 . A A . 2 LEU HD12 1 1 1 22 1 1 2 LEU HD13 H -9.362 -14.544 -0.148 1.00 . A A . 2 LEU HD13 1 1 1 23 1 1 2 LEU HD21 H -6.432 -15.695 -2.861 1.00 . A A . 2 LEU HD21 1 1 1 24 1 1 2 LEU HD22 H -7.233 -14.125 -2.805 1.00 . A A . 2 LEU HD22 1 1 1 25 1 1 2 LEU HD23 H -8.154 -15.571 -3.222 1.00 . A A . 2 LEU HD23 1 1 1 26 1 1 2 LEU HG H -7.365 -16.401 -0.877 1.00 . A A . 2 LEU HG 1 1 1 27 1 1 2 LEU N N -4.994 -15.708 0.491 1.00 . A A . 2 LEU N 1 1 1 28 1 1 2 LEU O O -3.900 -12.646 -0.299 1.00 . A A . 2 LEU O 1 1 1 29 1 1 3 PHE C C -3.168 -11.783 2.327 1.00 . A A . 3 PHE C 1 1 1 30 1 1 3 PHE CA C -4.686 -11.707 2.188 1.00 . A A . 3 PHE CA 1 1 1 31 1 1 3 PHE CB C -5.329 -11.552 3.567 1.00 . A A . 3 PHE CB 1 1 1 32 1 1 3 PHE CD1 C -7.392 -10.132 3.407 1.00 . A A . 3 PHE CD1 1 1 1 33 1 1 3 PHE CD2 C -5.397 -9.141 4.257 1.00 . A A . 3 PHE CD2 1 1 1 34 1 1 3 PHE CE1 C -8.060 -8.934 3.571 1.00 . A A . 3 PHE CE1 1 1 1 35 1 1 3 PHE CE2 C -6.060 -7.940 4.424 1.00 . A A . 3 PHE CE2 1 1 1 36 1 1 3 PHE CG C -6.054 -10.249 3.747 1.00 . A A . 3 PHE CG 1 1 1 37 1 1 3 PHE CZ C -7.394 -7.836 4.081 1.00 . A A . 3 PHE CZ 1 1 1 38 1 1 3 PHE H H -5.897 -13.429 1.960 1.00 . A A . 3 PHE H 1 1 1 39 1 1 3 PHE HA H -4.937 -10.849 1.584 1.00 . A A . 3 PHE HA 1 1 1 40 1 1 3 PHE HB2 H -6.041 -12.350 3.716 1.00 . A A . 3 PHE HB2 1 1 1 41 1 1 3 PHE HB3 H -4.561 -11.614 4.323 1.00 . A A . 3 PHE HB3 1 1 1 42 1 1 3 PHE HD1 H -7.914 -10.989 3.009 1.00 . A A . 3 PHE HD1 1 1 1 43 1 1 3 PHE HD2 H -4.353 -9.220 4.526 1.00 . A A . 3 PHE HD2 1 1 1 44 1 1 3 PHE HE1 H -9.104 -8.856 3.303 1.00 . A A . 3 PHE HE1 1 1 1 45 1 1 3 PHE HE2 H -5.536 -7.084 4.823 1.00 . A A . 3 PHE HE2 1 1 1 46 1 1 3 PHE HZ H -7.915 -6.899 4.210 1.00 . A A . 3 PHE HZ 1 1 1 47 1 1 3 PHE N N -5.206 -12.894 1.517 1.00 . A A . 3 PHE N 1 1 1 48 1 1 3 PHE O O -2.486 -10.760 2.365 1.00 . A A . 3 PHE O 1 1 1 49 1 1 4 GLY C C -0.428 -12.425 1.495 1.00 . A A . 4 GLY C 1 1 1 50 1 1 4 GLY CA C -1.214 -13.191 2.540 1.00 . A A . 4 GLY CA 1 1 1 51 1 1 4 GLY H H -3.240 -13.783 2.370 1.00 . A A . 4 GLY H 1 1 1 52 1 1 4 GLY HA2 H -0.910 -12.858 3.521 1.00 . A A . 4 GLY HA2 1 1 1 53 1 1 4 GLY HA3 H -0.990 -14.243 2.443 1.00 . A A . 4 GLY HA3 1 1 1 54 1 1 4 GLY N N -2.647 -13.004 2.405 1.00 . A A . 4 GLY N 1 1 1 55 1 1 4 GLY O O 0.704 -12.008 1.742 1.00 . A A . 4 GLY O 1 1 1 56 1 1 5 VAL C C -0.823 -10.064 -0.804 1.00 . A A . 5 VAL C 1 1 1 57 1 1 5 VAL CA C -0.375 -11.521 -0.764 1.00 . A A . 5 VAL CA 1 1 1 58 1 1 5 VAL CB C -0.670 -12.175 -2.127 1.00 . A A . 5 VAL CB 1 1 1 59 1 1 5 VAL CG1 C -0.009 -11.391 -3.250 1.00 . A A . 5 VAL CG1 1 1 1 60 1 1 5 VAL CG2 C -0.208 -13.624 -2.133 1.00 . A A . 5 VAL CG2 1 1 1 61 1 1 5 VAL H H -1.930 -12.597 0.187 1.00 . A A . 5 VAL H 1 1 1 62 1 1 5 VAL HA H 0.691 -11.555 -0.595 1.00 . A A . 5 VAL HA 1 1 1 63 1 1 5 VAL HB H -1.738 -12.159 -2.287 1.00 . A A . 5 VAL HB 1 1 1 64 1 1 5 VAL HG11 H 1.004 -11.143 -2.968 1.00 . A A . 5 VAL HG11 1 1 1 65 1 1 5 VAL HG12 H 0.003 -11.989 -4.149 1.00 . A A . 5 VAL HG12 1 1 1 66 1 1 5 VAL HG13 H -0.564 -10.481 -3.429 1.00 . A A . 5 VAL HG13 1 1 1 67 1 1 5 VAL HG21 H 0.381 -13.809 -3.019 1.00 . A A . 5 VAL HG21 1 1 1 68 1 1 5 VAL HG22 H 0.393 -13.814 -1.256 1.00 . A A . 5 VAL HG22 1 1 1 69 1 1 5 VAL HG23 H -1.068 -14.277 -2.129 1.00 . A A . 5 VAL HG23 1 1 1 70 1 1 5 VAL N N -1.027 -12.241 0.323 1.00 . A A . 5 VAL N 1 1 1 71 1 1 5 VAL O O -0.113 -9.199 -1.318 1.00 . A A . 5 VAL O 1 1 1 72 1 1 6 LEU C C -1.549 -7.470 0.384 1.00 . A A . 6 LEU C 1 1 1 73 1 1 6 LEU CA C -2.548 -8.445 -0.230 1.00 . A A . 6 LEU CA 1 1 1 74 1 1 6 LEU CB C -3.857 -8.416 0.559 1.00 . A A . 6 LEU CB 1 1 1 75 1 1 6 LEU CD1 C -6.333 -8.795 0.664 1.00 . A A . 6 LEU CD1 1 1 1 76 1 1 6 LEU CD2 C -5.358 -7.419 -1.183 1.00 . A A . 6 LEU CD2 1 1 1 77 1 1 6 LEU CG C -5.137 -8.605 -0.256 1.00 . A A . 6 LEU CG 1 1 1 78 1 1 6 LEU H H -2.524 -10.529 0.136 1.00 . A A . 6 LEU H 1 1 1 79 1 1 6 LEU HA H -2.745 -8.146 -1.249 1.00 . A A . 6 LEU HA 1 1 1 80 1 1 6 LEU HB2 H -3.816 -9.203 1.296 1.00 . A A . 6 LEU HB2 1 1 1 81 1 1 6 LEU HB3 H -3.920 -7.460 1.059 1.00 . A A . 6 LEU HB3 1 1 1 82 1 1 6 LEU HD11 H -7.179 -8.252 0.271 1.00 . A A . 6 LEU HD11 1 1 1 83 1 1 6 LEU HD12 H -6.092 -8.423 1.649 1.00 . A A . 6 LEU HD12 1 1 1 84 1 1 6 LEU HD13 H -6.576 -9.846 0.726 1.00 . A A . 6 LEU HD13 1 1 1 85 1 1 6 LEU HD21 H -4.405 -6.980 -1.438 1.00 . A A . 6 LEU HD21 1 1 1 86 1 1 6 LEU HD22 H -5.973 -6.683 -0.686 1.00 . A A . 6 LEU HD22 1 1 1 87 1 1 6 LEU HD23 H -5.854 -7.753 -2.083 1.00 . A A . 6 LEU HD23 1 1 1 88 1 1 6 LEU HG H -5.041 -9.494 -0.865 1.00 . A A . 6 LEU HG 1 1 1 89 1 1 6 LEU N N -2.004 -9.799 -0.258 1.00 . A A . 6 LEU N 1 1 1 90 1 1 6 LEU O O -1.554 -6.280 0.068 1.00 . A A . 6 LEU O 1 1 1 91 1 1 7 ALA C C 1.240 -6.505 0.894 1.00 . A A . 7 ALA C 1 1 1 92 1 1 7 ALA CA C 0.316 -7.157 1.916 1.00 . A A . 7 ALA CA 1 1 1 93 1 1 7 ALA CB C 1.120 -7.991 2.902 1.00 . A A . 7 ALA CB 1 1 1 94 1 1 7 ALA H H -0.738 -8.938 1.471 1.00 . A A . 7 ALA H 1 1 1 95 1 1 7 ALA HA H -0.195 -6.383 2.470 1.00 . A A . 7 ALA HA 1 1 1 96 1 1 7 ALA HB1 H 0.764 -7.804 3.905 1.00 . A A . 7 ALA HB1 1 1 1 97 1 1 7 ALA HB2 H 1.004 -9.038 2.667 1.00 . A A . 7 ALA HB2 1 1 1 98 1 1 7 ALA HB3 H 2.164 -7.720 2.834 1.00 . A A . 7 ALA HB3 1 1 1 99 1 1 7 ALA N N -0.692 -7.982 1.261 1.00 . A A . 7 ALA N 1 1 1 100 1 1 7 ALA O O 1.808 -5.442 1.144 1.00 . A A . 7 ALA O 1 1 1 101 1 1 8 LYS C C 1.748 -5.273 -1.806 1.00 . A A . 8 LYS C 1 1 1 102 1 1 8 LYS CA C 2.244 -6.632 -1.321 1.00 . A A . 8 LYS CA 1 1 1 103 1 1 8 LYS CB C 2.291 -7.617 -2.491 1.00 . A A . 8 LYS CB 1 1 1 104 1 1 8 LYS CD C 3.833 -6.902 -4.341 1.00 . A A . 8 LYS CD 1 1 1 105 1 1 8 LYS CE C 5.256 -6.385 -4.479 1.00 . A A . 8 LYS CE 1 1 1 106 1 1 8 LYS CG C 3.673 -7.769 -3.103 1.00 . A A . 8 LYS CG 1 1 1 107 1 1 8 LYS H H 0.909 -7.993 -0.400 1.00 . A A . 8 LYS H 1 1 1 108 1 1 8 LYS HA H 3.239 -6.516 -0.918 1.00 . A A . 8 LYS HA 1 1 1 109 1 1 8 LYS HB2 H 1.965 -8.586 -2.144 1.00 . A A . 8 LYS HB2 1 1 1 110 1 1 8 LYS HB3 H 1.615 -7.274 -3.262 1.00 . A A . 8 LYS HB3 1 1 1 111 1 1 8 LYS HD2 H 3.589 -7.488 -5.215 1.00 . A A . 8 LYS HD2 1 1 1 112 1 1 8 LYS HD3 H 3.158 -6.060 -4.270 1.00 . A A . 8 LYS HD3 1 1 1 113 1 1 8 LYS HE2 H 5.424 -5.628 -3.729 1.00 . A A . 8 LYS HE2 1 1 1 114 1 1 8 LYS HE3 H 5.940 -7.206 -4.322 1.00 . A A . 8 LYS HE3 1 1 1 115 1 1 8 LYS HG2 H 4.414 -7.476 -2.374 1.00 . A A . 8 LYS HG2 1 1 1 116 1 1 8 LYS HG3 H 3.823 -8.803 -3.377 1.00 . A A . 8 LYS HG3 1 1 1 117 1 1 8 LYS HZ1 H 4.972 -6.322 -6.547 1.00 . A A . 8 LYS HZ1 1 1 1 118 1 1 8 LYS HZ2 H 6.518 -5.846 -6.054 1.00 . A A . 8 LYS HZ2 1 1 1 119 1 1 8 LYS HZ3 H 5.204 -4.802 -5.842 1.00 . A A . 8 LYS HZ3 1 1 1 120 1 1 8 LYS N N 1.388 -7.149 -0.259 1.00 . A A . 8 LYS N 1 1 1 121 1 1 8 LYS NZ N 5.505 -5.797 -5.825 1.00 . A A . 8 LYS NZ 1 1 1 122 1 1 8 LYS O O 2.487 -4.524 -2.445 1.00 . A A . 8 LYS O 1 1 1 123 1 1 9 VAL C C -0.909 -3.078 -0.760 1.00 . A A . 9 VAL C 1 1 1 124 1 1 9 VAL CA C -0.099 -3.691 -1.898 1.00 . A A . 9 VAL CA 1 1 1 125 1 1 9 VAL CB C -1.010 -3.861 -3.128 1.00 . A A . 9 VAL CB 1 1 1 126 1 1 9 VAL CG1 C -1.320 -2.510 -3.754 1.00 . A A . 9 VAL CG1 1 1 1 127 1 1 9 VAL CG2 C -0.365 -4.793 -4.143 1.00 . A A . 9 VAL CG2 1 1 1 128 1 1 9 VAL H H -0.045 -5.599 -0.984 1.00 . A A . 9 VAL H 1 1 1 129 1 1 9 VAL HA H 0.703 -3.016 -2.160 1.00 . A A . 9 VAL HA 1 1 1 130 1 1 9 VAL HB H -1.940 -4.305 -2.804 1.00 . A A . 9 VAL HB 1 1 1 131 1 1 9 VAL HG11 H -1.766 -2.658 -4.727 1.00 . A A . 9 VAL HG11 1 1 1 132 1 1 9 VAL HG12 H -2.007 -1.968 -3.120 1.00 . A A . 9 VAL HG12 1 1 1 133 1 1 9 VAL HG13 H -0.406 -1.944 -3.860 1.00 . A A . 9 VAL HG13 1 1 1 134 1 1 9 VAL HG21 H -0.798 -4.618 -5.117 1.00 . A A . 9 VAL HG21 1 1 1 135 1 1 9 VAL HG22 H 0.698 -4.602 -4.182 1.00 . A A . 9 VAL HG22 1 1 1 136 1 1 9 VAL HG23 H -0.536 -5.818 -3.851 1.00 . A A . 9 VAL HG23 1 1 1 137 1 1 9 VAL N N 0.494 -4.961 -1.496 1.00 . A A . 9 VAL N 1 1 1 138 1 1 9 VAL O O -2.061 -2.687 -0.946 1.00 . A A . 9 VAL O 1 1 1 139 1 1 10 ALA C C 0.053 -2.029 2.651 1.00 . A A . 10 ALA C 1 1 1 140 1 1 10 ALA CA C -0.961 -2.429 1.584 1.00 . A A . 10 ALA CA 1 1 1 141 1 1 10 ALA CB C -1.966 -3.419 2.154 1.00 . A A . 10 ALA CB 1 1 1 142 1 1 10 ALA H H 0.621 -3.325 0.502 1.00 . A A . 10 ALA H 1 1 1 143 1 1 10 ALA HA H -1.500 -1.549 1.266 1.00 . A A . 10 ALA HA 1 1 1 144 1 1 10 ALA HB1 H -2.553 -2.935 2.921 1.00 . A A . 10 ALA HB1 1 1 1 145 1 1 10 ALA HB2 H -2.618 -3.764 1.365 1.00 . A A . 10 ALA HB2 1 1 1 146 1 1 10 ALA HB3 H -1.441 -4.261 2.580 1.00 . A A . 10 ALA HB3 1 1 1 147 1 1 10 ALA N N -0.298 -2.997 0.417 1.00 . A A . 10 ALA N 1 1 1 148 1 1 10 ALA O O 0.477 -2.890 3.397 1.00 . A A . 10 ALA O 1 1 1 149 1 1 11 . C C 2.627 0.714 2.853 1.00 . A A . 11 I4G C 1 1 1 150 1 1 11 . CA C 1.512 -0.011 3.566 1.00 . A A . 11 I4G CA 1 1 1 151 1 1 11 . CB C -0.099 0.453 1.753 1.00 . A A . 11 I4G CB 1 1 1 152 1 1 11 . CD1 C -1.081 2.232 3.309 1.00 . A A . 11 I4G CD1 1 1 1 153 1 1 11 . CD2 C -2.237 1.656 1.139 1.00 . A A . 11 I4G CD2 1 1 1 154 1 1 11 . CG C -1.396 1.098 2.304 1.00 . A A . 11 I4G CG 1 1 1 155 1 1 11 . HA2 H 1.902 -0.784 4.066 1.00 . A A . 11 I4G HA2 1 1 1 156 1 1 11 . HA3 H 1.081 0.620 4.211 1.00 . A A . 11 I4G HA3 1 1 1 157 1 1 11 . HB2 H -0.289 -0.014 0.889 1.00 . A A . 11 I4G HB2 1 1 1 158 1 1 11 . HB3 H 0.597 1.155 1.607 1.00 . A A . 11 I4G HB3 1 1 1 159 1 1 11 . HD11 H -2.002 2.696 3.664 1.00 . A A . 11 I4G HD11 1 1 1 160 1 1 11 . HD12 H -0.540 1.844 4.172 1.00 . A A . 11 I4G HD12 1 1 1 161 1 1 11 . HD13 H -0.464 3.001 2.836 1.00 . A A . 11 I4G HD13 1 1 1 162 1 1 11 . HD21 H -3.167 2.093 1.510 1.00 . A A . 11 I4G HD21 1 1 1 163 1 1 11 . HD22 H -1.684 2.427 0.597 1.00 . A A . 11 I4G HD22 1 1 1 164 1 1 11 . HD23 H -2.493 0.860 0.435 1.00 . A A . 11 I4G HD23 1 1 1 165 1 1 11 . HG H -1.989 0.335 2.814 1.00 . A A . 11 I4G HG 1 1 1 166 1 1 11 . N N 0.454 -0.539 2.686 1.00 . A A . 11 I4G N 1 1 1 167 1 1 11 . O O 3.196 1.689 3.345 1.00 . A A . 11 I4G O 1 1 1 168 1 1 12 HIS C C 3.327 1.604 -0.356 1.00 . A A . 12 HIS C 1 1 1 169 1 1 12 HIS CA C 3.951 0.849 0.814 1.00 . A A . 12 HIS CA 1 1 1 170 1 1 12 HIS CB C 4.913 -0.219 0.292 1.00 . A A . 12 HIS CB 1 1 1 171 1 1 12 HIS CD2 C 3.270 -1.441 -1.300 1.00 . A A . 12 HIS CD2 1 1 1 172 1 1 12 HIS CE1 C 4.581 -1.605 -3.050 1.00 . A A . 12 HIS CE1 1 1 1 173 1 1 12 HIS CG C 4.454 -0.870 -0.976 1.00 . A A . 12 HIS CG 1 1 1 174 1 1 12 HIS H H 2.432 -0.541 1.309 1.00 . A A . 12 HIS H 1 1 1 175 1 1 12 HIS HA H 4.500 1.548 1.426 1.00 . A A . 12 HIS HA 1 1 1 176 1 1 12 HIS HB2 H 5.874 0.234 0.102 1.00 . A A . 12 HIS HB2 1 1 1 177 1 1 12 HIS HB3 H 5.025 -0.990 1.040 1.00 . A A . 12 HIS HB3 1 1 1 178 1 1 12 HIS HD1 H 6.176 -0.671 -2.173 1.00 . A A . 12 HIS HD1 1 1 1 179 1 1 12 HIS HD2 H 2.402 -1.527 -0.661 1.00 . A A . 12 HIS HD2 1 1 1 180 1 1 12 HIS HE1 H 4.954 -1.836 -4.036 1.00 . A A . 12 HIS HE1 1 1 1 181 1 1 12 HIS N N 2.920 0.238 1.647 1.00 . A A . 12 HIS N 1 1 1 182 1 1 12 HIS ND1 N 5.254 -0.990 -2.093 1.00 . A A . 12 HIS ND1 1 1 1 183 1 1 12 HIS NE2 N 3.374 -1.889 -2.594 1.00 . A A . 12 HIS NE2 1 1 1 184 1 1 12 HIS O O 3.970 2.453 -0.973 1.00 . A A . 12 HIS O 1 1 1 185 1 1 13 VAL C C 1.399 3.455 -1.608 1.00 . A A . 13 VAL C 1 1 1 186 1 1 13 VAL CA C 1.360 1.937 -1.751 1.00 . A A . 13 VAL CA 1 1 1 187 1 1 13 VAL CB C -0.107 1.476 -1.819 1.00 . A A . 13 VAL CB 1 1 1 188 1 1 13 VAL CG1 C -0.878 2.296 -2.843 1.00 . A A . 13 VAL CG1 1 1 1 189 1 1 13 VAL CG2 C -0.185 -0.008 -2.145 1.00 . A A . 13 VAL CG2 1 1 1 190 1 1 13 VAL H H 1.611 0.603 -0.127 1.00 . A A . 13 VAL H 1 1 1 191 1 1 13 VAL HA H 1.846 1.660 -2.675 1.00 . A A . 13 VAL HA 1 1 1 192 1 1 13 VAL HB H -0.559 1.634 -0.851 1.00 . A A . 13 VAL HB 1 1 1 193 1 1 13 VAL HG11 H -1.115 3.263 -2.424 1.00 . A A . 13 VAL HG11 1 1 1 194 1 1 13 VAL HG12 H -0.275 2.424 -3.730 1.00 . A A . 13 VAL HG12 1 1 1 195 1 1 13 VAL HG13 H -1.793 1.782 -3.100 1.00 . A A . 13 VAL HG13 1 1 1 196 1 1 13 VAL HG21 H -1.219 -0.298 -2.256 1.00 . A A . 13 VAL HG21 1 1 1 197 1 1 13 VAL HG22 H 0.344 -0.203 -3.067 1.00 . A A . 13 VAL HG22 1 1 1 198 1 1 13 VAL HG23 H 0.266 -0.576 -1.345 1.00 . A A . 13 VAL HG23 1 1 1 199 1 1 13 VAL N N 2.071 1.288 -0.656 1.00 . A A . 13 VAL N 1 1 1 200 1 1 13 VAL O O 1.828 4.164 -2.518 1.00 . A A . 13 VAL O 1 1 1 201 1 1 14 VAL C C 2.302 6.001 -0.444 1.00 . A A . 14 VAL C 1 1 1 202 1 1 14 VAL CA C 0.931 5.381 -0.196 1.00 . A A . 14 VAL CA 1 1 1 203 1 1 14 VAL CB C 0.498 5.681 1.252 1.00 . A A . 14 VAL CB 1 1 1 204 1 1 14 VAL CG1 C 0.599 7.171 1.542 1.00 . A A . 14 VAL CG1 1 1 1 205 1 1 14 VAL CG2 C -0.915 5.175 1.500 1.00 . A A . 14 VAL CG2 1 1 1 206 1 1 14 VAL H H 0.617 3.331 0.228 1.00 . A A . 14 VAL H 1 1 1 207 1 1 14 VAL HA H 0.215 5.836 -0.865 1.00 . A A . 14 VAL HA 1 1 1 208 1 1 14 VAL HB H 1.167 5.161 1.921 1.00 . A A . 14 VAL HB 1 1 1 209 1 1 14 VAL HG11 H 1.639 7.461 1.576 1.00 . A A . 14 VAL HG11 1 1 1 210 1 1 14 VAL HG12 H 0.095 7.724 0.763 1.00 . A A . 14 VAL HG12 1 1 1 211 1 1 14 VAL HG13 H 0.135 7.384 2.494 1.00 . A A . 14 VAL HG13 1 1 1 212 1 1 14 VAL HG21 H -1.103 4.314 0.877 1.00 . A A . 14 VAL HG21 1 1 1 213 1 1 14 VAL HG22 H -1.020 4.897 2.539 1.00 . A A . 14 VAL HG22 1 1 1 214 1 1 14 VAL HG23 H -1.623 5.955 1.263 1.00 . A A . 14 VAL HG23 1 1 1 215 1 1 14 VAL N N 0.947 3.947 -0.459 1.00 . A A . 14 VAL N 1 1 1 216 1 1 14 VAL O O 2.408 7.112 -0.962 1.00 . A A . 14 VAL O 1 1 1 217 1 1 15 GLY C C 5.039 5.986 -1.722 1.00 . A A . 15 GLY C 1 1 1 218 1 1 15 GLY CA C 4.701 5.768 -0.261 1.00 . A A . 15 GLY CA 1 1 1 219 1 1 15 GLY H H 3.205 4.394 0.338 1.00 . A A . 15 GLY H 1 1 1 220 1 1 15 GLY HA2 H 4.808 6.704 0.266 1.00 . A A . 15 GLY HA2 1 1 1 221 1 1 15 GLY HA3 H 5.396 5.052 0.154 1.00 . A A . 15 GLY HA3 1 1 1 222 1 1 15 GLY N N 3.350 5.274 -0.070 1.00 . A A . 15 GLY N 1 1 1 223 1 1 15 GLY O O 5.926 6.772 -2.051 1.00 . A A . 15 GLY O 1 1 1 224 1 1 16 ALA C C 3.601 6.417 -4.662 1.00 . A A . 16 ALA C 1 1 1 225 1 1 16 ALA CA C 4.558 5.408 -4.037 1.00 . A A . 16 ALA CA 1 1 1 226 1 1 16 ALA CB C 4.413 4.052 -4.711 1.00 . A A . 16 ALA CB 1 1 1 227 1 1 16 ALA H H 3.635 4.676 -2.279 1.00 . A A . 16 ALA H 1 1 1 228 1 1 16 ALA HA H 5.572 5.750 -4.185 1.00 . A A . 16 ALA HA 1 1 1 229 1 1 16 ALA HB1 H 5.153 3.958 -5.492 1.00 . A A . 16 ALA HB1 1 1 1 230 1 1 16 ALA HB2 H 4.557 3.270 -3.981 1.00 . A A . 16 ALA HB2 1 1 1 231 1 1 16 ALA HB3 H 3.425 3.967 -5.139 1.00 . A A . 16 ALA HB3 1 1 1 232 1 1 16 ALA N N 4.329 5.287 -2.602 1.00 . A A . 16 ALA N 1 1 1 233 1 1 16 ALA O O 4.026 7.346 -5.350 1.00 . A A . 16 ALA O 1 1 1 234 1 1 17 ILE C C 1.559 8.568 -4.552 1.00 . A A . 17 ILE C 1 1 1 235 1 1 17 ILE CA C 1.291 7.123 -4.958 1.00 . A A . 17 ILE CA 1 1 1 236 1 1 17 ILE CB C -0.119 6.722 -4.486 1.00 . A A . 17 ILE CB 1 1 1 237 1 1 17 ILE CD1 C -1.826 4.835 -4.527 1.00 . A A . 17 ILE CD1 1 1 1 238 1 1 17 ILE CG1 C -0.446 5.298 -4.939 1.00 . A A . 17 ILE CG1 1 1 1 239 1 1 17 ILE CG2 C -1.154 7.703 -5.017 1.00 . A A . 17 ILE CG2 1 1 1 240 1 1 17 ILE H H 2.032 5.471 -3.863 1.00 . A A . 17 ILE H 1 1 1 241 1 1 17 ILE HA H 1.323 7.052 -6.036 1.00 . A A . 17 ILE HA 1 1 1 242 1 1 17 ILE HB H -0.139 6.763 -3.408 1.00 . A A . 17 ILE HB 1 1 1 243 1 1 17 ILE HD11 H -2.571 5.420 -5.046 1.00 . A A . 17 ILE HD11 1 1 1 244 1 1 17 ILE HD12 H -1.946 3.792 -4.778 1.00 . A A . 17 ILE HD12 1 1 1 245 1 1 17 ILE HD13 H -1.946 4.964 -3.461 1.00 . A A . 17 ILE HD13 1 1 1 246 1 1 17 ILE HG12 H -0.386 5.246 -6.014 1.00 . A A . 17 ILE HG12 1 1 1 247 1 1 17 ILE HG13 H 0.275 4.617 -4.509 1.00 . A A . 17 ILE HG13 1 1 1 248 1 1 17 ILE HG21 H -1.129 7.703 -6.096 1.00 . A A . 17 ILE HG21 1 1 1 249 1 1 17 ILE HG22 H -2.136 7.407 -4.680 1.00 . A A . 17 ILE HG22 1 1 1 250 1 1 17 ILE HG23 H -0.931 8.694 -4.652 1.00 . A A . 17 ILE HG23 1 1 1 251 1 1 17 ILE N N 2.308 6.229 -4.419 1.00 . A A . 17 ILE N 1 1 1 252 1 1 17 ILE O O 1.314 9.496 -5.322 1.00 . A A . 17 ILE O 1 1 1 253 1 1 18 ALA C C 3.600 10.666 -3.520 1.00 . A A . 18 ALA C 1 1 1 254 1 1 18 ALA CA C 2.372 10.083 -2.829 1.00 . A A . 18 ALA CA 1 1 1 255 1 1 18 ALA CB C 2.583 10.039 -1.323 1.00 . A A . 18 ALA CB 1 1 1 256 1 1 18 ALA H H 2.241 7.972 -2.769 1.00 . A A . 18 ALA H 1 1 1 257 1 1 18 ALA HA H 1.523 10.720 -3.031 1.00 . A A . 18 ALA HA 1 1 1 258 1 1 18 ALA HB1 H 2.571 11.045 -0.929 1.00 . A A . 18 ALA HB1 1 1 1 259 1 1 18 ALA HB2 H 1.791 9.463 -0.866 1.00 . A A . 18 ALA HB2 1 1 1 260 1 1 18 ALA HB3 H 3.535 9.578 -1.107 1.00 . A A . 18 ALA HB3 1 1 1 261 1 1 18 ALA N N 2.067 8.752 -3.337 1.00 . A A . 18 ALA N 1 1 1 262 1 1 18 ALA O O 3.856 11.867 -3.442 1.00 . A A . 18 ALA O 1 1 1 263 1 1 19 GLU C C 5.203 11.055 -6.137 1.00 . A A . 19 GLU C 1 1 1 264 1 1 19 GLU CA C 5.560 10.237 -4.899 1.00 . A A . 19 GLU CA 1 1 1 265 1 1 19 GLU CB C 6.404 9.026 -5.300 1.00 . A A . 19 GLU CB 1 1 1 266 1 1 19 GLU CD C 8.411 9.127 -6.831 1.00 . A A . 19 GLU CD 1 1 1 267 1 1 19 GLU CG C 7.887 9.332 -5.422 1.00 . A A . 19 GLU CG 1 1 1 268 1 1 19 GLU H H 4.101 8.861 -4.222 1.00 . A A . 19 GLU H 1 1 1 269 1 1 19 GLU HA H 6.133 10.857 -4.226 1.00 . A A . 19 GLU HA 1 1 1 270 1 1 19 GLU HB2 H 6.277 8.251 -4.558 1.00 . A A . 19 GLU HB2 1 1 1 271 1 1 19 GLU HB3 H 6.054 8.659 -6.254 1.00 . A A . 19 GLU HB3 1 1 1 272 1 1 19 GLU HG2 H 8.055 10.360 -5.139 1.00 . A A . 19 GLU HG2 1 1 1 273 1 1 19 GLU HG3 H 8.432 8.682 -4.753 1.00 . A A . 19 GLU HG3 1 1 1 274 1 1 19 GLU N N 4.357 9.806 -4.196 1.00 . A A . 19 GLU N 1 1 1 275 1 1 19 GLU O O 5.727 12.150 -6.344 1.00 . A A . 19 GLU O 1 1 1 276 1 1 19 GLU OE1 O 7.731 9.557 -7.785 1.00 . A A . 19 GLU OE1 1 1 1 277 1 1 19 GLU OE2 O 9.502 8.537 -6.977 1.00 . A A . 19 GLU OE2 1 1 1 278 1 1 20 HIS C C 2.880 12.301 -7.859 1.00 . A A . 20 HIS C 1 1 1 279 1 1 20 HIS CA C 3.880 11.193 -8.176 1.00 . A A . 20 HIS CA 1 1 1 280 1 1 20 HIS CB C 3.258 10.193 -9.151 1.00 . A A . 20 HIS CB 1 1 1 281 1 1 20 HIS CD2 C 1.175 9.004 -8.164 1.00 . A A . 20 HIS CD2 1 1 1 282 1 1 20 HIS CE1 C -0.373 10.263 -9.071 1.00 . A A . 20 HIS CE1 1 1 1 283 1 1 20 HIS CG C 1.801 9.945 -8.908 1.00 . A A . 20 HIS CG 1 1 1 284 1 1 20 HIS H H 3.925 9.639 -6.739 1.00 . A A . 20 HIS H 1 1 1 285 1 1 20 HIS HA H 4.752 11.634 -8.634 1.00 . A A . 20 HIS HA 1 1 1 286 1 1 20 HIS HB2 H 3.367 10.567 -10.158 1.00 . A A . 20 HIS HB2 1 1 1 287 1 1 20 HIS HB3 H 3.775 9.247 -9.065 1.00 . A A . 20 HIS HB3 1 1 1 288 1 1 20 HIS HD1 H 0.938 11.486 -10.056 1.00 . A A . 20 HIS HD1 1 1 1 289 1 1 20 HIS HD2 H 1.649 8.224 -7.584 1.00 . A A . 20 HIS HD2 1 1 1 290 1 1 20 HIS HE1 H -1.333 10.672 -9.348 1.00 . A A . 20 HIS HE1 1 1 1 291 1 1 20 HIS N N 4.307 10.514 -6.958 1.00 . A A . 20 HIS N 1 1 1 292 1 1 20 HIS ND1 N 0.803 10.718 -9.464 1.00 . A A . 20 HIS ND1 1 1 1 293 1 1 20 HIS NE2 N -0.175 9.223 -8.282 1.00 . A A . 20 HIS NE2 1 1 1 294 1 1 20 HIS O O 2.726 13.251 -8.626 1.00 . A A . 20 HIS O 1 1 1 295 1 1 21 PHE C C 1.835 14.180 -5.356 1.00 . A A . 21 PHE C 1 1 1 296 1 1 21 PHE CA C 1.214 13.159 -6.305 1.00 . A A . 21 PHE CA 1 1 1 297 1 1 21 PHE CB C 0.027 12.472 -5.628 1.00 . A A . 21 PHE CB 1 1 1 298 1 1 21 PHE CD1 C -1.681 13.090 -7.358 1.00 . A A . 21 PHE CD1 1 1 1 299 1 1 21 PHE CD2 C -2.177 13.531 -5.068 1.00 . A A . 21 PHE CD2 1 1 1 300 1 1 21 PHE CE1 C -2.905 13.614 -7.728 1.00 . A A . 21 PHE CE1 1 1 1 301 1 1 21 PHE CE2 C -3.403 14.056 -5.432 1.00 . A A . 21 PHE CE2 1 1 1 302 1 1 21 PHE CG C -1.304 13.042 -6.026 1.00 . A A . 21 PHE CG 1 1 1 303 1 1 21 PHE CZ C -3.767 14.099 -6.764 1.00 . A A . 21 PHE CZ 1 1 1 304 1 1 21 PHE H H 2.367 11.390 -6.154 1.00 . A A . 21 PHE H 1 1 1 305 1 1 21 PHE HA H 0.866 13.673 -7.188 1.00 . A A . 21 PHE HA 1 1 1 306 1 1 21 PHE HB2 H 0.030 11.424 -5.889 1.00 . A A . 21 PHE HB2 1 1 1 307 1 1 21 PHE HB3 H 0.126 12.572 -4.557 1.00 . A A . 21 PHE HB3 1 1 1 308 1 1 21 PHE HD1 H -1.007 12.711 -8.114 1.00 . A A . 21 PHE HD1 1 1 1 309 1 1 21 PHE HD2 H -1.894 13.500 -4.026 1.00 . A A . 21 PHE HD2 1 1 1 310 1 1 21 PHE HE1 H -3.186 13.646 -8.771 1.00 . A A . 21 PHE HE1 1 1 1 311 1 1 21 PHE HE2 H -4.075 14.435 -4.676 1.00 . A A . 21 PHE HE2 1 1 1 312 1 1 21 PHE HZ H -4.724 14.508 -7.051 1.00 . A A . 21 PHE HZ 1 1 1 313 1 1 21 PHE N N 2.201 12.171 -6.723 1.00 . A A . 21 PHE N 1 1 1 314 1 1 21 PHE O O 1.165 14.816 -4.579 1.00 . A A . 21 PHE O 1 1 1 315 1 1 22 NH2 HN1 H 3.814 13.764 -6.130 1.00 . A A . 22 NH2 HN1 1 1 1 316 1 1 22 NH2 HN2 H 3.795 15.001 -4.836 1.00 . A A . 22 NH2 HN2 1 1 1 317 1 1 22 NH2 N N 3.341 14.346 -5.445 1.00 . A A . 22 NH2 N 1 1 1 318 2 2 1 UNX UNK . -13.410 0.500 -12.269 1.00 . B A . 100 UNX UNK 1 1 2 319 1 1 1 GLY C C -4.014 -15.998 0.891 1.00 . A A . 1 GLY C 1 1 2 320 1 1 1 GLY CA C -3.772 -17.167 1.825 1.00 . A A . 1 GLY CA 1 1 2 321 1 1 1 GLY H1 H -4.859 -18.939 2.034 1.00 . A A . 1 GLY H1 1 1 2 322 1 1 1 GLY H2 H -4.952 -18.306 0.531 1.00 . A A . 1 GLY H2 1 1 2 323 1 1 1 GLY H3 H -3.810 -19.120 1.005 1.00 . A A . 1 GLY H3 1 1 2 324 1 1 1 GLY HA2 H -4.185 -16.931 2.795 1.00 . A A . 1 GLY HA2 1 1 2 325 1 1 1 GLY HA3 H -2.708 -17.318 1.924 1.00 . A A . 1 GLY HA3 1 1 2 326 1 1 1 GLY N N -4.378 -18.396 1.345 1.00 . A A . 1 GLY N 1 1 2 327 1 1 1 GLY O O -3.082 -15.488 0.267 1.00 . A A . 1 GLY O 1 1 2 328 1 1 2 LEU C C -5.014 -13.155 0.424 1.00 . A A . 2 LEU C 1 1 2 329 1 1 2 LEU CA C -5.632 -14.456 -0.077 1.00 . A A . 2 LEU CA 1 1 2 330 1 1 2 LEU CB C -7.153 -14.316 -0.150 1.00 . A A . 2 LEU CB 1 1 2 331 1 1 2 LEU CD1 C -7.182 -12.762 -2.117 1.00 . A A . 2 LEU CD1 1 1 2 332 1 1 2 LEU CD2 C -7.444 -15.225 -2.468 1.00 . A A . 2 LEU CD2 1 1 2 333 1 1 2 LEU CG C -7.737 -14.055 -1.540 1.00 . A A . 2 LEU CG 1 1 2 334 1 1 2 LEU H H -5.969 -16.018 1.312 1.00 . A A . 2 LEU H 1 1 2 335 1 1 2 LEU HA H -5.249 -14.667 -1.064 1.00 . A A . 2 LEU HA 1 1 2 336 1 1 2 LEU HB2 H -7.588 -15.230 0.225 1.00 . A A . 2 LEU HB2 1 1 2 337 1 1 2 LEU HB3 H -7.440 -13.493 0.490 1.00 . A A . 2 LEU HB3 1 1 2 338 1 1 2 LEU HD11 H -7.624 -12.582 -3.085 1.00 . A A . 2 LEU HD11 1 1 2 339 1 1 2 LEU HD12 H -6.111 -12.844 -2.220 1.00 . A A . 2 LEU HD12 1 1 2 340 1 1 2 LEU HD13 H -7.419 -11.942 -1.455 1.00 . A A . 2 LEU HD13 1 1 2 341 1 1 2 LEU HD21 H -8.374 -15.633 -2.836 1.00 . A A . 2 LEU HD21 1 1 2 342 1 1 2 LEU HD22 H -6.904 -15.989 -1.926 1.00 . A A . 2 LEU HD22 1 1 2 343 1 1 2 LEU HD23 H -6.847 -14.884 -3.301 1.00 . A A . 2 LEU HD23 1 1 2 344 1 1 2 LEU HG H -8.810 -13.952 -1.458 1.00 . A A . 2 LEU HG 1 1 2 345 1 1 2 LEU N N -5.269 -15.573 0.790 1.00 . A A . 2 LEU N 1 1 2 346 1 1 2 LEU O O -4.201 -12.537 -0.265 1.00 . A A . 2 LEU O 1 1 2 347 1 1 3 PHE C C -3.374 -11.605 2.419 1.00 . A A . 3 PHE C 1 1 2 348 1 1 3 PHE CA C -4.884 -11.518 2.220 1.00 . A A . 3 PHE CA 1 1 2 349 1 1 3 PHE CB C -5.571 -11.245 3.559 1.00 . A A . 3 PHE CB 1 1 2 350 1 1 3 PHE CD1 C -5.471 -8.781 4.025 1.00 . A A . 3 PHE CD1 1 1 2 351 1 1 3 PHE CD2 C -7.551 -9.720 3.331 1.00 . A A . 3 PHE CD2 1 1 2 352 1 1 3 PHE CE1 C -6.057 -7.531 4.099 1.00 . A A . 3 PHE CE1 1 1 2 353 1 1 3 PHE CE2 C -8.142 -8.472 3.403 1.00 . A A . 3 PHE CE2 1 1 2 354 1 1 3 PHE CG C -6.210 -9.888 3.640 1.00 . A A . 3 PHE CG 1 1 2 355 1 1 3 PHE CZ C -7.394 -7.377 3.789 1.00 . A A . 3 PHE CZ 1 1 2 356 1 1 3 PHE H H -6.052 -13.282 2.128 1.00 . A A . 3 PHE H 1 1 2 357 1 1 3 PHE HA H -5.100 -10.707 1.543 1.00 . A A . 3 PHE HA 1 1 2 358 1 1 3 PHE HB2 H -6.342 -11.984 3.718 1.00 . A A . 3 PHE HB2 1 1 2 359 1 1 3 PHE HB3 H -4.841 -11.316 4.352 1.00 . A A . 3 PHE HB3 1 1 2 360 1 1 3 PHE HD1 H -4.425 -8.900 4.268 1.00 . A A . 3 PHE HD1 1 1 2 361 1 1 3 PHE HD2 H -8.137 -10.577 3.031 1.00 . A A . 3 PHE HD2 1 1 2 362 1 1 3 PHE HE1 H -5.470 -6.677 4.400 1.00 . A A . 3 PHE HE1 1 1 2 363 1 1 3 PHE HE2 H -9.187 -8.355 3.160 1.00 . A A . 3 PHE HE2 1 1 2 364 1 1 3 PHE HZ H -7.853 -6.401 3.845 1.00 . A A . 3 PHE HZ 1 1 2 365 1 1 3 PHE N N -5.401 -12.745 1.627 1.00 . A A . 3 PHE N 1 1 2 366 1 1 3 PHE O O -2.675 -10.593 2.399 1.00 . A A . 3 PHE O 1 1 2 367 1 1 4 GLY C C -0.618 -12.360 1.735 1.00 . A A . 4 GLY C 1 1 2 368 1 1 4 GLY CA C -1.453 -13.020 2.814 1.00 . A A . 4 GLY CA 1 1 2 369 1 1 4 GLY H H -3.482 -13.594 2.620 1.00 . A A . 4 GLY H 1 1 2 370 1 1 4 GLY HA2 H -1.176 -12.608 3.773 1.00 . A A . 4 GLY HA2 1 1 2 371 1 1 4 GLY HA3 H -1.245 -14.080 2.816 1.00 . A A . 4 GLY HA3 1 1 2 372 1 1 4 GLY N N -2.876 -12.823 2.614 1.00 . A A . 4 GLY N 1 1 2 373 1 1 4 GLY O O 0.525 -11.971 1.975 1.00 . A A . 4 GLY O 1 1 2 374 1 1 5 VAL C C -0.877 -10.147 -0.726 1.00 . A A . 5 VAL C 1 1 2 375 1 1 5 VAL CA C -0.490 -11.615 -0.578 1.00 . A A . 5 VAL CA 1 1 2 376 1 1 5 VAL CB C -0.790 -12.347 -1.900 1.00 . A A . 5 VAL CB 1 1 2 377 1 1 5 VAL CG1 C -0.080 -11.668 -3.060 1.00 . A A . 5 VAL CG1 1 1 2 378 1 1 5 VAL CG2 C -0.387 -13.811 -1.800 1.00 . A A . 5 VAL CG2 1 1 2 379 1 1 5 VAL H H -2.104 -12.561 0.413 1.00 . A A . 5 VAL H 1 1 2 380 1 1 5 VAL HA H 0.571 -11.680 -0.387 1.00 . A A . 5 VAL HA 1 1 2 381 1 1 5 VAL HB H -1.854 -12.300 -2.081 1.00 . A A . 5 VAL HB 1 1 2 382 1 1 5 VAL HG11 H 0.949 -11.475 -2.790 1.00 . A A . 5 VAL HG11 1 1 2 383 1 1 5 VAL HG12 H -0.110 -12.311 -3.928 1.00 . A A . 5 VAL HG12 1 1 2 384 1 1 5 VAL HG13 H -0.571 -10.734 -3.286 1.00 . A A . 5 VAL HG13 1 1 2 385 1 1 5 VAL HG21 H -1.082 -14.331 -1.158 1.00 . A A . 5 VAL HG21 1 1 2 386 1 1 5 VAL HG22 H -0.402 -14.257 -2.784 1.00 . A A . 5 VAL HG22 1 1 2 387 1 1 5 VAL HG23 H 0.609 -13.883 -1.388 1.00 . A A . 5 VAL HG23 1 1 2 388 1 1 5 VAL N N -1.190 -12.232 0.542 1.00 . A A . 5 VAL N 1 1 2 389 1 1 5 VAL O O -0.112 -9.343 -1.260 1.00 . A A . 5 VAL O 1 1 2 390 1 1 6 LEU C C -1.567 -7.464 0.321 1.00 . A A . 6 LEU C 1 1 2 391 1 1 6 LEU CA C -2.555 -8.431 -0.324 1.00 . A A . 6 LEU CA 1 1 2 392 1 1 6 LEU CB C -3.919 -8.315 0.360 1.00 . A A . 6 LEU CB 1 1 2 393 1 1 6 LEU CD1 C -6.412 -8.569 0.303 1.00 . A A . 6 LEU CD1 1 1 2 394 1 1 6 LEU CD2 C -5.221 -7.510 -1.625 1.00 . A A . 6 LEU CD2 1 1 2 395 1 1 6 LEU CG C -5.139 -8.562 -0.529 1.00 . A A . 6 LEU CG 1 1 2 396 1 1 6 LEU H H -2.632 -10.488 0.168 1.00 . A A . 6 LEU H 1 1 2 397 1 1 6 LEU HA H -2.662 -8.175 -1.368 1.00 . A A . 6 LEU HA 1 1 2 398 1 1 6 LEU HB2 H -3.947 -9.032 1.165 1.00 . A A . 6 LEU HB2 1 1 2 399 1 1 6 LEU HB3 H -4.001 -7.316 0.766 1.00 . A A . 6 LEU HB3 1 1 2 400 1 1 6 LEU HD11 H -7.015 -9.421 0.028 1.00 . A A . 6 LEU HD11 1 1 2 401 1 1 6 LEU HD12 H -6.966 -7.661 0.119 1.00 . A A . 6 LEU HD12 1 1 2 402 1 1 6 LEU HD13 H -6.157 -8.630 1.351 1.00 . A A . 6 LEU HD13 1 1 2 403 1 1 6 LEU HD21 H -6.217 -7.093 -1.650 1.00 . A A . 6 LEU HD21 1 1 2 404 1 1 6 LEU HD22 H -4.998 -7.966 -2.579 1.00 . A A . 6 LEU HD22 1 1 2 405 1 1 6 LEU HD23 H -4.507 -6.725 -1.425 1.00 . A A . 6 LEU HD23 1 1 2 406 1 1 6 LEU HG H -5.042 -9.530 -1.000 1.00 . A A . 6 LEU HG 1 1 2 407 1 1 6 LEU N N -2.067 -9.803 -0.246 1.00 . A A . 6 LEU N 1 1 2 408 1 1 6 LEU O O -1.525 -6.283 -0.023 1.00 . A A . 6 LEU O 1 1 2 409 1 1 7 ALA C C 1.245 -6.596 0.963 1.00 . A A . 7 ALA C 1 1 2 410 1 1 7 ALA CA C 0.221 -7.158 1.944 1.00 . A A . 7 ALA CA 1 1 2 411 1 1 7 ALA CB C 0.913 -7.971 3.027 1.00 . A A . 7 ALA CB 1 1 2 412 1 1 7 ALA H H -0.852 -8.924 1.484 1.00 . A A . 7 ALA H 1 1 2 413 1 1 7 ALA HA H -0.296 -6.336 2.419 1.00 . A A . 7 ALA HA 1 1 2 414 1 1 7 ALA HB1 H 0.276 -8.792 3.323 1.00 . A A . 7 ALA HB1 1 1 2 415 1 1 7 ALA HB2 H 1.847 -8.358 2.645 1.00 . A A . 7 ALA HB2 1 1 2 416 1 1 7 ALA HB3 H 1.108 -7.340 3.881 1.00 . A A . 7 ALA HB3 1 1 2 417 1 1 7 ALA N N -0.771 -7.975 1.255 1.00 . A A . 7 ALA N 1 1 2 418 1 1 7 ALA O O 1.832 -5.539 1.201 1.00 . A A . 7 ALA O 1 1 2 419 1 1 8 LYS C C 2.017 -5.527 -1.735 1.00 . A A . 8 LYS C 1 1 2 420 1 1 8 LYS CA C 2.411 -6.882 -1.154 1.00 . A A . 8 LYS CA 1 1 2 421 1 1 8 LYS CB C 2.497 -7.923 -2.272 1.00 . A A . 8 LYS CB 1 1 2 422 1 1 8 LYS CD C 4.211 -7.274 -3.989 1.00 . A A . 8 LYS CD 1 1 2 423 1 1 8 LYS CE C 5.091 -7.997 -4.998 1.00 . A A . 8 LYS CE 1 1 2 424 1 1 8 LYS CG C 3.908 -8.149 -2.785 1.00 . A A . 8 LYS CG 1 1 2 425 1 1 8 LYS H H 0.959 -8.142 -0.270 1.00 . A A . 8 LYS H 1 1 2 426 1 1 8 LYS HA H 3.378 -6.790 -0.683 1.00 . A A . 8 LYS HA 1 1 2 427 1 1 8 LYS HB2 H 2.116 -8.863 -1.901 1.00 . A A . 8 LYS HB2 1 1 2 428 1 1 8 LYS HB3 H 1.883 -7.597 -3.099 1.00 . A A . 8 LYS HB3 1 1 2 429 1 1 8 LYS HD2 H 3.282 -7.002 -4.469 1.00 . A A . 8 LYS HD2 1 1 2 430 1 1 8 LYS HD3 H 4.720 -6.380 -3.655 1.00 . A A . 8 LYS HD3 1 1 2 431 1 1 8 LYS HE2 H 5.856 -8.539 -4.464 1.00 . A A . 8 LYS HE2 1 1 2 432 1 1 8 LYS HE3 H 4.480 -8.691 -5.556 1.00 . A A . 8 LYS HE3 1 1 2 433 1 1 8 LYS HG2 H 4.610 -7.914 -1.999 1.00 . A A . 8 LYS HG2 1 1 2 434 1 1 8 LYS HG3 H 4.017 -9.186 -3.070 1.00 . A A . 8 LYS HG3 1 1 2 435 1 1 8 LYS HZ1 H 5.016 -6.532 -6.484 1.00 . A A . 8 LYS HZ1 1 1 2 436 1 1 8 LYS HZ2 H 6.345 -7.571 -6.613 1.00 . A A . 8 LYS HZ2 1 1 2 437 1 1 8 LYS HZ3 H 6.325 -6.366 -5.426 1.00 . A A . 8 LYS HZ3 1 1 2 438 1 1 8 LYS N N 1.457 -7.309 -0.137 1.00 . A A . 8 LYS N 1 1 2 439 1 1 8 LYS NZ N 5.740 -7.049 -5.946 1.00 . A A . 8 LYS NZ 1 1 2 440 1 1 8 LYS O O 2.839 -4.833 -2.331 1.00 . A A . 8 LYS O 1 1 2 441 1 1 9 VAL C C -0.622 -3.188 -1.024 1.00 . A A . 9 VAL C 1 1 2 442 1 1 9 VAL CA C 0.248 -3.886 -2.063 1.00 . A A . 9 VAL CA 1 1 2 443 1 1 9 VAL CB C -0.568 -4.078 -3.355 1.00 . A A . 9 VAL CB 1 1 2 444 1 1 9 VAL CG1 C -0.757 -2.750 -4.070 1.00 . A A . 9 VAL CG1 1 1 2 445 1 1 9 VAL CG2 C 0.108 -5.093 -4.265 1.00 . A A . 9 VAL CG2 1 1 2 446 1 1 9 VAL H H 0.143 -5.755 -1.075 1.00 . A A . 9 VAL H 1 1 2 447 1 1 9 VAL HA H 1.098 -3.258 -2.289 1.00 . A A . 9 VAL HA 1 1 2 448 1 1 9 VAL HB H -1.542 -4.460 -3.087 1.00 . A A . 9 VAL HB 1 1 2 449 1 1 9 VAL HG11 H -1.148 -2.927 -5.061 1.00 . A A . 9 VAL HG11 1 1 2 450 1 1 9 VAL HG12 H -1.448 -2.136 -3.513 1.00 . A A . 9 VAL HG12 1 1 2 451 1 1 9 VAL HG13 H 0.195 -2.244 -4.145 1.00 . A A . 9 VAL HG13 1 1 2 452 1 1 9 VAL HG21 H -0.182 -6.090 -3.970 1.00 . A A . 9 VAL HG21 1 1 2 453 1 1 9 VAL HG22 H -0.197 -4.918 -5.288 1.00 . A A . 9 VAL HG22 1 1 2 454 1 1 9 VAL HG23 H 1.179 -4.990 -4.187 1.00 . A A . 9 VAL HG23 1 1 2 455 1 1 9 VAL N N 0.752 -5.158 -1.558 1.00 . A A . 9 VAL N 1 1 2 456 1 1 9 VAL O O -1.728 -2.743 -1.325 1.00 . A A . 9 VAL O 1 1 2 457 1 1 10 ALA C C 0.104 -2.013 2.399 1.00 . A A . 10 ALA C 1 1 2 458 1 1 10 ALA CA C -0.842 -2.448 1.284 1.00 . A A . 10 ALA CA 1 1 2 459 1 1 10 ALA CB C -1.911 -3.382 1.830 1.00 . A A . 10 ALA CB 1 1 2 460 1 1 10 ALA H H 0.776 -3.469 0.378 1.00 . A A . 10 ALA H 1 1 2 461 1 1 10 ALA HA H -1.332 -1.575 0.881 1.00 . A A . 10 ALA HA 1 1 2 462 1 1 10 ALA HB1 H -2.664 -3.548 1.073 1.00 . A A . 10 ALA HB1 1 1 2 463 1 1 10 ALA HB2 H -1.462 -4.324 2.105 1.00 . A A . 10 ALA HB2 1 1 2 464 1 1 10 ALA HB3 H -2.369 -2.934 2.700 1.00 . A A . 10 ALA HB3 1 1 2 465 1 1 10 ALA N N -0.112 -3.095 0.200 1.00 . A A . 10 ALA N 1 1 2 466 1 1 10 ALA O O 0.449 -2.841 3.220 1.00 . A A . 10 ALA O 1 1 2 467 1 1 11 . C C 2.717 0.704 2.639 1.00 . A A . 11 I4G C 1 1 2 468 1 1 11 . CA C 1.550 0.017 3.306 1.00 . A A . 11 I4G CA 1 1 2 469 1 1 11 . CB C 0.089 0.417 1.357 1.00 . A A . 11 I4G CB 1 1 2 470 1 1 11 . CD1 C -1.904 1.860 0.653 1.00 . A A . 11 I4G CD1 1 1 2 471 1 1 11 . CD2 C -2.075 0.344 2.666 1.00 . A A . 11 I4G CD2 1 1 2 472 1 1 11 . CG C -1.130 1.242 1.842 1.00 . A A . 11 I4G CG 1 1 2 473 1 1 11 . HA2 H 1.899 -0.741 3.858 1.00 . A A . 11 I4G HA2 1 1 2 474 1 1 11 . HA3 H 1.087 0.676 3.899 1.00 . A A . 11 I4G HA3 1 1 2 475 1 1 11 . HB2 H -0.156 -0.108 0.541 1.00 . A A . 11 I4G HB2 1 1 2 476 1 1 11 . HB3 H 0.852 1.026 1.145 1.00 . A A . 11 I4G HB3 1 1 2 477 1 1 11 . HD11 H -2.775 2.413 1.009 1.00 . A A . 11 I4G HD11 1 1 2 478 1 1 11 . HD12 H -1.269 2.549 0.096 1.00 . A A . 11 I4G HD12 1 1 2 479 1 1 11 . HD13 H -2.243 1.079 -0.031 1.00 . A A . 11 I4G HD13 1 1 2 480 1 1 11 . HD21 H -2.928 0.918 3.035 1.00 . A A . 11 I4G HD21 1 1 2 481 1 1 11 . HD22 H -2.451 -0.482 2.056 1.00 . A A . 11 I4G HD22 1 1 2 482 1 1 11 . HD23 H -1.550 -0.077 3.526 1.00 . A A . 11 I4G HD23 1 1 2 483 1 1 11 . HG H -0.782 2.050 2.490 1.00 . A A . 11 I4G HG 1 1 2 484 1 1 11 . N N 0.544 -0.534 2.381 1.00 . A A . 11 I4G N 1 1 2 485 1 1 11 . O O 3.236 1.717 3.106 1.00 . A A . 11 I4G O 1 1 2 486 1 1 12 HIS C C 3.672 1.484 -0.486 1.00 . A A . 12 HIS C 1 1 2 487 1 1 12 HIS CA C 4.208 0.709 0.714 1.00 . A A . 12 HIS CA 1 1 2 488 1 1 12 HIS CB C 5.147 -0.401 0.241 1.00 . A A . 12 HIS CB 1 1 2 489 1 1 12 HIS CD2 C 3.492 -1.669 -1.302 1.00 . A A . 12 HIS CD2 1 1 2 490 1 1 12 HIS CE1 C 4.793 -1.893 -3.052 1.00 . A A . 12 HIS CE1 1 1 2 491 1 1 12 HIS CG C 4.679 -1.092 -1.003 1.00 . A A . 12 HIS CG 1 1 2 492 1 1 12 HIS H H 2.662 -0.661 1.178 1.00 . A A . 12 HIS H 1 1 2 493 1 1 12 HIS HA H 4.757 1.387 1.349 1.00 . A A . 12 HIS HA 1 1 2 494 1 1 12 HIS HB2 H 6.120 0.022 0.039 1.00 . A A . 12 HIS HB2 1 1 2 495 1 1 12 HIS HB3 H 5.237 -1.144 1.021 1.00 . A A . 12 HIS HB3 1 1 2 496 1 1 12 HIS HD1 H 6.396 -0.937 -2.214 1.00 . A A . 12 HIS HD1 1 1 2 497 1 1 12 HIS HD2 H 2.628 -1.732 -0.656 1.00 . A A . 12 HIS HD2 1 1 2 498 1 1 12 HIS HE1 H 5.160 -2.158 -4.032 1.00 . A A . 12 HIS HE1 1 1 2 499 1 1 12 HIS N N 3.114 0.147 1.499 1.00 . A A . 12 HIS N 1 1 2 500 1 1 12 HIS ND1 N 5.473 -1.250 -2.120 1.00 . A A . 12 HIS ND1 1 1 2 501 1 1 12 HIS NE2 N 3.589 -2.159 -2.581 1.00 . A A . 12 HIS NE2 1 1 2 502 1 1 12 HIS O O 4.354 2.353 -1.030 1.00 . A A . 12 HIS O 1 1 2 503 1 1 13 VAL C C 1.790 3.341 -1.830 1.00 . A A . 13 VAL C 1 1 2 504 1 1 13 VAL CA C 1.821 1.829 -2.029 1.00 . A A . 13 VAL CA 1 1 2 505 1 1 13 VAL CB C 0.384 1.323 -2.253 1.00 . A A . 13 VAL CB 1 1 2 506 1 1 13 VAL CG1 C -0.310 2.144 -3.329 1.00 . A A . 13 VAL CG1 1 1 2 507 1 1 13 VAL CG2 C 0.391 -0.153 -2.619 1.00 . A A . 13 VAL CG2 1 1 2 508 1 1 13 VAL H H 1.955 0.463 -0.419 1.00 . A A . 13 VAL H 1 1 2 509 1 1 13 VAL HA H 2.402 1.605 -2.911 1.00 . A A . 13 VAL HA 1 1 2 510 1 1 13 VAL HB H -0.166 1.441 -1.331 1.00 . A A . 13 VAL HB 1 1 2 511 1 1 13 VAL HG11 H -1.180 1.611 -3.683 1.00 . A A . 13 VAL HG11 1 1 2 512 1 1 13 VAL HG12 H -0.612 3.096 -2.917 1.00 . A A . 13 VAL HG12 1 1 2 513 1 1 13 VAL HG13 H 0.371 2.307 -4.152 1.00 . A A . 13 VAL HG13 1 1 2 514 1 1 13 VAL HG21 H 1.233 -0.636 -2.146 1.00 . A A . 13 VAL HG21 1 1 2 515 1 1 13 VAL HG22 H -0.525 -0.613 -2.279 1.00 . A A . 13 VAL HG22 1 1 2 516 1 1 13 VAL HG23 H 0.470 -0.259 -3.691 1.00 . A A . 13 VAL HG23 1 1 2 517 1 1 13 VAL N N 2.448 1.163 -0.893 1.00 . A A . 13 VAL N 1 1 2 518 1 1 13 VAL O O 2.252 4.100 -2.683 1.00 . A A . 13 VAL O 1 1 2 519 1 1 14 VAL C C 2.504 5.881 -0.558 1.00 . A A . 14 VAL C 1 1 2 520 1 1 14 VAL CA C 1.154 5.194 -0.386 1.00 . A A . 14 VAL CA 1 1 2 521 1 1 14 VAL CB C 0.655 5.422 1.053 1.00 . A A . 14 VAL CB 1 1 2 522 1 1 14 VAL CG1 C 0.644 6.907 1.386 1.00 . A A . 14 VAL CG1 1 1 2 523 1 1 14 VAL CG2 C -0.728 4.815 1.239 1.00 . A A . 14 VAL CG2 1 1 2 524 1 1 14 VAL H H 0.894 3.119 -0.057 1.00 . A A . 14 VAL H 1 1 2 525 1 1 14 VAL HA H 0.444 5.642 -1.066 1.00 . A A . 14 VAL HA 1 1 2 526 1 1 14 VAL HB H 1.335 4.929 1.731 1.00 . A A . 14 VAL HB 1 1 2 527 1 1 14 VAL HG11 H 1.658 7.251 1.525 1.00 . A A . 14 VAL HG11 1 1 2 528 1 1 14 VAL HG12 H 0.183 7.454 0.577 1.00 . A A . 14 VAL HG12 1 1 2 529 1 1 14 VAL HG13 H 0.082 7.068 2.295 1.00 . A A . 14 VAL HG13 1 1 2 530 1 1 14 VAL HG21 H -1.379 5.542 1.703 1.00 . A A . 14 VAL HG21 1 1 2 531 1 1 14 VAL HG22 H -1.131 4.534 0.276 1.00 . A A . 14 VAL HG22 1 1 2 532 1 1 14 VAL HG23 H -0.657 3.942 1.868 1.00 . A A . 14 VAL HG23 1 1 2 533 1 1 14 VAL N N 1.244 3.773 -0.698 1.00 . A A . 14 VAL N 1 1 2 534 1 1 14 VAL O O 2.577 7.029 -0.994 1.00 . A A . 14 VAL O 1 1 2 535 1 1 15 GLY C C 5.234 6.137 -1.759 1.00 . A A . 15 GLY C 1 1 2 536 1 1 15 GLY CA C 4.907 5.726 -0.337 1.00 . A A . 15 GLY CA 1 1 2 537 1 1 15 GLY H H 3.454 4.259 0.129 1.00 . A A . 15 GLY H 1 1 2 538 1 1 15 GLY HA2 H 4.985 6.592 0.304 1.00 . A A . 15 GLY HA2 1 1 2 539 1 1 15 GLY HA3 H 5.625 4.986 -0.013 1.00 . A A . 15 GLY HA3 1 1 2 540 1 1 15 GLY N N 3.573 5.170 -0.213 1.00 . A A . 15 GLY N 1 1 2 541 1 1 15 GLY O O 6.001 7.073 -1.981 1.00 . A A . 15 GLY O 1 1 2 542 1 1 16 ALA C C 3.801 6.645 -4.688 1.00 . A A . 16 ALA C 1 1 2 543 1 1 16 ALA CA C 4.887 5.729 -4.132 1.00 . A A . 16 ALA CA 1 1 2 544 1 1 16 ALA CB C 4.956 4.441 -4.939 1.00 . A A . 16 ALA CB 1 1 2 545 1 1 16 ALA H H 4.051 4.697 -2.485 1.00 . A A . 16 ALA H 1 1 2 546 1 1 16 ALA HA H 5.841 6.229 -4.214 1.00 . A A . 16 ALA HA 1 1 2 547 1 1 16 ALA HB1 H 4.267 4.498 -5.768 1.00 . A A . 16 ALA HB1 1 1 2 548 1 1 16 ALA HB2 H 5.960 4.305 -5.312 1.00 . A A . 16 ALA HB2 1 1 2 549 1 1 16 ALA HB3 H 4.691 3.607 -4.306 1.00 . A A . 16 ALA HB3 1 1 2 550 1 1 16 ALA N N 4.652 5.433 -2.724 1.00 . A A . 16 ALA N 1 1 2 551 1 1 16 ALA O O 4.092 7.619 -5.383 1.00 . A A . 16 ALA O 1 1 2 552 1 1 17 ILE C C 1.562 8.578 -4.425 1.00 . A A . 17 ILE C 1 1 2 553 1 1 17 ILE CA C 1.421 7.120 -4.848 1.00 . A A . 17 ILE CA 1 1 2 554 1 1 17 ILE CB C 0.084 6.569 -4.315 1.00 . A A . 17 ILE CB 1 1 2 555 1 1 17 ILE CD1 C -0.055 4.913 -6.242 1.00 . A A . 17 ILE CD1 1 1 2 556 1 1 17 ILE CG1 C -0.099 5.113 -4.744 1.00 . A A . 17 ILE CG1 1 1 2 557 1 1 17 ILE CG2 C -1.074 7.423 -4.809 1.00 . A A . 17 ILE CG2 1 1 2 558 1 1 17 ILE H H 2.380 5.537 -3.823 1.00 . A A . 17 ILE H 1 1 2 559 1 1 17 ILE HA H 1.403 7.069 -5.927 1.00 . A A . 17 ILE HA 1 1 2 560 1 1 17 ILE HB H 0.104 6.620 -3.237 1.00 . A A . 17 ILE HB 1 1 2 561 1 1 17 ILE HD11 H 0.959 5.043 -6.593 1.00 . A A . 17 ILE HD11 1 1 2 562 1 1 17 ILE HD12 H -0.396 3.918 -6.484 1.00 . A A . 17 ILE HD12 1 1 2 563 1 1 17 ILE HD13 H -0.695 5.640 -6.721 1.00 . A A . 17 ILE HD13 1 1 2 564 1 1 17 ILE HG12 H 0.684 4.513 -4.307 1.00 . A A . 17 ILE HG12 1 1 2 565 1 1 17 ILE HG13 H -1.057 4.759 -4.390 1.00 . A A . 17 ILE HG13 1 1 2 566 1 1 17 ILE HG21 H -0.936 7.647 -5.856 1.00 . A A . 17 ILE HG21 1 1 2 567 1 1 17 ILE HG22 H -2.000 6.883 -4.678 1.00 . A A . 17 ILE HG22 1 1 2 568 1 1 17 ILE HG23 H -1.111 8.342 -4.244 1.00 . A A . 17 ILE HG23 1 1 2 569 1 1 17 ILE N N 2.549 6.325 -4.379 1.00 . A A . 17 ILE N 1 1 2 570 1 1 17 ILE O O 1.215 9.489 -5.176 1.00 . A A . 17 ILE O 1 1 2 571 1 1 18 ALA C C 3.444 10.829 -3.376 1.00 . A A . 18 ALA C 1 1 2 572 1 1 18 ALA CA C 2.265 10.139 -2.696 1.00 . A A . 18 ALA CA 1 1 2 573 1 1 18 ALA CB C 2.474 10.097 -1.190 1.00 . A A . 18 ALA CB 1 1 2 574 1 1 18 ALA H H 2.333 8.024 -2.666 1.00 . A A . 18 ALA H 1 1 2 575 1 1 18 ALA HA H 1.367 10.704 -2.895 1.00 . A A . 18 ALA HA 1 1 2 576 1 1 18 ALA HB1 H 3.300 9.441 -0.959 1.00 . A A . 18 ALA HB1 1 1 2 577 1 1 18 ALA HB2 H 2.692 11.091 -0.829 1.00 . A A . 18 ALA HB2 1 1 2 578 1 1 18 ALA HB3 H 1.577 9.729 -0.713 1.00 . A A . 18 ALA HB3 1 1 2 579 1 1 18 ALA N N 2.075 8.791 -3.218 1.00 . A A . 18 ALA N 1 1 2 580 1 1 18 ALA O O 3.643 12.033 -3.220 1.00 . A A . 18 ALA O 1 1 2 581 1 1 19 GLU C C 4.952 11.372 -6.073 1.00 . A A . 19 GLU C 1 1 2 582 1 1 19 GLU CA C 5.380 10.596 -4.831 1.00 . A A . 19 GLU CA 1 1 2 583 1 1 19 GLU CB C 6.335 9.467 -5.225 1.00 . A A . 19 GLU CB 1 1 2 584 1 1 19 GLU CD C 8.514 9.868 -4.012 1.00 . A A . 19 GLU CD 1 1 2 585 1 1 19 GLU CG C 7.785 9.908 -5.341 1.00 . A A . 19 GLU CG 1 1 2 586 1 1 19 GLU H H 4.010 9.104 -4.215 1.00 . A A . 19 GLU H 1 1 2 587 1 1 19 GLU HA H 5.891 11.268 -4.159 1.00 . A A . 19 GLU HA 1 1 2 588 1 1 19 GLU HB2 H 6.276 8.685 -4.483 1.00 . A A . 19 GLU HB2 1 1 2 589 1 1 19 GLU HB3 H 6.025 9.068 -6.180 1.00 . A A . 19 GLU HB3 1 1 2 590 1 1 19 GLU HG2 H 8.292 9.254 -6.034 1.00 . A A . 19 GLU HG2 1 1 2 591 1 1 19 GLU HG3 H 7.810 10.920 -5.719 1.00 . A A . 19 GLU HG3 1 1 2 592 1 1 19 GLU N N 4.221 10.057 -4.130 1.00 . A A . 19 GLU N 1 1 2 593 1 1 19 GLU O O 5.378 12.507 -6.286 1.00 . A A . 19 GLU O 1 1 2 594 1 1 19 GLU OE1 O 8.353 10.818 -3.219 1.00 . A A . 19 GLU OE1 1 1 2 595 1 1 19 GLU OE2 O 9.247 8.886 -3.768 1.00 . A A . 19 GLU OE2 1 1 2 596 1 1 20 HIS C C 2.529 12.401 -7.799 1.00 . A A . 20 HIS C 1 1 2 597 1 1 20 HIS CA C 3.620 11.383 -8.112 1.00 . A A . 20 HIS CA 1 1 2 598 1 1 20 HIS CB C 3.088 10.327 -9.080 1.00 . A A . 20 HIS CB 1 1 2 599 1 1 20 HIS CD2 C 1.054 9.105 -8.030 1.00 . A A . 20 HIS CD2 1 1 2 600 1 1 20 HIS CE1 C -0.537 10.105 -9.158 1.00 . A A . 20 HIS CE1 1 1 2 601 1 1 20 HIS CG C 1.643 9.992 -8.866 1.00 . A A . 20 HIS CG 1 1 2 602 1 1 20 HIS H H 3.804 9.847 -6.666 1.00 . A A . 20 HIS H 1 1 2 603 1 1 20 HIS HA H 4.451 11.895 -8.573 1.00 . A A . 20 HIS HA 1 1 2 604 1 1 20 HIS HB2 H 3.197 10.687 -10.092 1.00 . A A . 20 HIS HB2 1 1 2 605 1 1 20 HIS HB3 H 3.660 9.417 -8.962 1.00 . A A . 20 HIS HB3 1 1 2 606 1 1 20 HIS HD1 H 0.724 11.295 -10.243 1.00 . A A . 20 HIS HD1 1 1 2 607 1 1 20 HIS HD2 H 1.556 8.449 -7.333 1.00 . A A . 20 HIS HD2 1 1 2 608 1 1 20 HIS HE1 H -1.511 10.393 -9.527 1.00 . A A . 20 HIS HE1 1 1 2 609 1 1 20 HIS N N 4.107 10.751 -6.891 1.00 . A A . 20 HIS N 1 1 2 610 1 1 20 HIS ND1 N 0.619 10.601 -9.560 1.00 . A A . 20 HIS ND1 1 1 2 611 1 1 20 HIS NE2 N -0.301 9.195 -8.231 1.00 . A A . 20 HIS NE2 1 1 2 612 1 1 20 HIS O O 2.294 13.331 -8.570 1.00 . A A . 20 HIS O 1 1 2 613 1 1 21 PHE C C 1.132 13.789 -4.920 1.00 . A A . 21 PHE C 1 1 2 614 1 1 21 PHE CA C 0.795 13.120 -6.249 1.00 . A A . 21 PHE CA 1 1 2 615 1 1 21 PHE CB C -0.526 12.356 -6.127 1.00 . A A . 21 PHE CB 1 1 2 616 1 1 21 PHE CD1 C -1.716 13.137 -8.194 1.00 . A A . 21 PHE CD1 1 1 2 617 1 1 21 PHE CD2 C -2.720 13.575 -6.076 1.00 . A A . 21 PHE CD2 1 1 2 618 1 1 21 PHE CE1 C -2.773 13.762 -8.827 1.00 . A A . 21 PHE CE1 1 1 2 619 1 1 21 PHE CE2 C -3.779 14.201 -6.703 1.00 . A A . 21 PHE CE2 1 1 2 620 1 1 21 PHE CG C -1.677 13.037 -6.812 1.00 . A A . 21 PHE CG 1 1 2 621 1 1 21 PHE CZ C -3.807 14.294 -8.081 1.00 . A A . 21 PHE CZ 1 1 2 622 1 1 21 PHE H H 2.096 11.457 -6.090 1.00 . A A . 21 PHE H 1 1 2 623 1 1 21 PHE HA H 0.692 13.880 -7.007 1.00 . A A . 21 PHE HA 1 1 2 624 1 1 21 PHE HB2 H -0.411 11.377 -6.567 1.00 . A A . 21 PHE HB2 1 1 2 625 1 1 21 PHE HB3 H -0.777 12.250 -5.082 1.00 . A A . 21 PHE HB3 1 1 2 626 1 1 21 PHE HD1 H -0.910 12.720 -8.779 1.00 . A A . 21 PHE HD1 1 1 2 627 1 1 21 PHE HD2 H -2.699 13.503 -4.997 1.00 . A A . 21 PHE HD2 1 1 2 628 1 1 21 PHE HE1 H -2.793 13.833 -9.904 1.00 . A A . 21 PHE HE1 1 1 2 629 1 1 21 PHE HE2 H -4.586 14.616 -6.117 1.00 . A A . 21 PHE HE2 1 1 2 630 1 1 21 PHE HZ H -4.633 14.784 -8.573 1.00 . A A . 21 PHE HZ 1 1 2 631 1 1 21 PHE N N 1.863 12.218 -6.663 1.00 . A A . 21 PHE N 1 1 2 632 1 1 21 PHE O O 0.281 14.048 -4.105 1.00 . A A . 21 PHE O 1 1 2 633 1 1 22 NH2 HN1 H 3.234 13.853 -5.435 1.00 . A A . 22 NH2 HN1 1 1 2 634 1 1 22 NH2 HN2 H 2.868 14.546 -3.826 1.00 . A A . 22 NH2 HN2 1 1 2 635 1 1 22 NH2 N N 2.597 14.110 -4.687 1.00 . A A . 22 NH2 N 1 1 2 636 2 2 1 UNX UNK . -12.915 0.308 -12.892 1.00 . B A . 100 UNX UNK 1 1 3 637 1 1 1 GLY C C -3.898 -15.925 0.749 1.00 . A A . 1 GLY C 1 1 3 638 1 1 1 GLY CA C -3.570 -17.154 1.574 1.00 . A A . 1 GLY CA 1 1 3 639 1 1 1 GLY H1 H -1.588 -16.495 1.564 1.00 . A A . 1 GLY H1 1 1 3 640 1 1 1 GLY H2 H -1.934 -17.457 2.838 1.00 . A A . 1 GLY H2 1 1 3 641 1 1 1 GLY H3 H -1.620 -17.972 1.487 1.00 . A A . 1 GLY H3 1 1 3 642 1 1 1 GLY HA2 H -3.871 -18.034 1.026 1.00 . A A . 1 GLY HA2 1 1 3 643 1 1 1 GLY HA3 H -4.127 -17.110 2.499 1.00 . A A . 1 GLY HA3 1 1 3 644 1 1 1 GLY N N -2.156 -17.254 1.884 1.00 . A A . 1 GLY N 1 1 3 645 1 1 1 GLY O O -2.999 -15.221 0.286 1.00 . A A . 1 GLY O 1 1 3 646 1 1 2 LEU C C -5.018 -13.225 0.323 1.00 . A A . 2 LEU C 1 1 3 647 1 1 2 LEU CA C -5.631 -14.514 -0.215 1.00 . A A . 2 LEU CA 1 1 3 648 1 1 2 LEU CB C -7.158 -14.415 -0.190 1.00 . A A . 2 LEU CB 1 1 3 649 1 1 2 LEU CD1 C -8.350 -14.076 -2.369 1.00 . A A . 2 LEU CD1 1 1 3 650 1 1 2 LEU CD2 C -8.858 -12.588 -0.424 1.00 . A A . 2 LEU CD2 1 1 3 651 1 1 2 LEU CG C -7.779 -13.389 -1.138 1.00 . A A . 2 LEU CG 1 1 3 652 1 1 2 LEU H H -5.857 -16.262 0.956 1.00 . A A . 2 LEU H 1 1 3 653 1 1 2 LEU HA H -5.304 -14.656 -1.234 1.00 . A A . 2 LEU HA 1 1 3 654 1 1 2 LEU HB2 H -7.556 -15.385 -0.445 1.00 . A A . 2 LEU HB2 1 1 3 655 1 1 2 LEU HB3 H -7.456 -14.159 0.817 1.00 . A A . 2 LEU HB3 1 1 3 656 1 1 2 LEU HD11 H -8.727 -13.334 -3.054 1.00 . A A . 2 LEU HD11 1 1 3 657 1 1 2 LEU HD12 H -9.153 -14.735 -2.073 1.00 . A A . 2 LEU HD12 1 1 3 658 1 1 2 LEU HD13 H -7.574 -14.652 -2.852 1.00 . A A . 2 LEU HD13 1 1 3 659 1 1 2 LEU HD21 H -9.490 -12.104 -1.156 1.00 . A A . 2 LEU HD21 1 1 3 660 1 1 2 LEU HD22 H -8.395 -11.839 0.202 1.00 . A A . 2 LEU HD22 1 1 3 661 1 1 2 LEU HD23 H -9.454 -13.250 0.186 1.00 . A A . 2 LEU HD23 1 1 3 662 1 1 2 LEU HG H -7.012 -12.701 -1.467 1.00 . A A . 2 LEU HG 1 1 3 663 1 1 2 LEU N N -5.187 -15.665 0.562 1.00 . A A . 2 LEU N 1 1 3 664 1 1 2 LEU O O -4.204 -12.587 -0.345 1.00 . A A . 2 LEU O 1 1 3 665 1 1 3 PHE C C -3.387 -11.712 2.340 1.00 . A A . 3 PHE C 1 1 3 666 1 1 3 PHE CA C -4.901 -11.636 2.163 1.00 . A A . 3 PHE CA 1 1 3 667 1 1 3 PHE CB C -5.573 -11.416 3.520 1.00 . A A . 3 PHE CB 1 1 3 668 1 1 3 PHE CD1 C -7.550 -9.906 3.196 1.00 . A A . 3 PHE CD1 1 1 3 669 1 1 3 PHE CD2 C -5.590 -9.005 4.210 1.00 . A A . 3 PHE CD2 1 1 3 670 1 1 3 PHE CE1 C -8.176 -8.678 3.308 1.00 . A A . 3 PHE CE1 1 1 3 671 1 1 3 PHE CE2 C -6.210 -7.774 4.325 1.00 . A A . 3 PHE CE2 1 1 3 672 1 1 3 PHE CG C -6.251 -10.082 3.644 1.00 . A A . 3 PHE CG 1 1 3 673 1 1 3 PHE CZ C -7.505 -7.612 3.875 1.00 . A A . 3 PHE CZ 1 1 3 674 1 1 3 PHE H H -6.064 -13.399 2.018 1.00 . A A . 3 PHE H 1 1 3 675 1 1 3 PHE HA H -5.135 -10.804 1.517 1.00 . A A . 3 PHE HA 1 1 3 676 1 1 3 PHE HB2 H -6.319 -12.182 3.672 1.00 . A A . 3 PHE HB2 1 1 3 677 1 1 3 PHE HB3 H -4.828 -11.485 4.298 1.00 . A A . 3 PHE HB3 1 1 3 678 1 1 3 PHE HD1 H -8.076 -10.739 2.754 1.00 . A A . 3 PHE HD1 1 1 3 679 1 1 3 PHE HD2 H -4.575 -9.131 4.563 1.00 . A A . 3 PHE HD2 1 1 3 680 1 1 3 PHE HE1 H -9.189 -8.553 2.956 1.00 . A A . 3 PHE HE1 1 1 3 681 1 1 3 PHE HE2 H -5.682 -6.943 4.769 1.00 . A A . 3 PHE HE2 1 1 3 682 1 1 3 PHE HZ H -7.992 -6.652 3.964 1.00 . A A . 3 PHE HZ 1 1 3 683 1 1 3 PHE N N -5.412 -12.848 1.535 1.00 . A A . 3 PHE N 1 1 3 684 1 1 3 PHE O O -2.699 -10.692 2.338 1.00 . A A . 3 PHE O 1 1 3 685 1 1 4 GLY C C -0.634 -12.414 1.599 1.00 . A A . 4 GLY C 1 1 3 686 1 1 4 GLY CA C -1.447 -13.118 2.667 1.00 . A A . 4 GLY CA 1 1 3 687 1 1 4 GLY H H -3.473 -13.707 2.484 1.00 . A A . 4 GLY H 1 1 3 688 1 1 4 GLY HA2 H -1.161 -12.733 3.635 1.00 . A A . 4 GLY HA2 1 1 3 689 1 1 4 GLY HA3 H -1.228 -14.175 2.633 1.00 . A A . 4 GLY HA3 1 1 3 690 1 1 4 GLY N N -2.875 -12.930 2.491 1.00 . A A . 4 GLY N 1 1 3 691 1 1 4 GLY O O 0.507 -12.017 1.837 1.00 . A A . 4 GLY O 1 1 3 692 1 1 5 VAL C C -0.951 -10.135 -0.793 1.00 . A A . 5 VAL C 1 1 3 693 1 1 5 VAL CA C -0.543 -11.601 -0.693 1.00 . A A . 5 VAL CA 1 1 3 694 1 1 5 VAL CB C -0.846 -12.298 -2.032 1.00 . A A . 5 VAL CB 1 1 3 695 1 1 5 VAL CG1 C -0.158 -11.576 -3.180 1.00 . A A . 5 VAL CG1 1 1 3 696 1 1 5 VAL CG2 C -0.422 -13.758 -1.980 1.00 . A A . 5 VAL CG2 1 1 3 697 1 1 5 VAL H H -2.131 -12.598 0.287 1.00 . A A . 5 VAL H 1 1 3 698 1 1 5 VAL HA H 0.522 -11.657 -0.516 1.00 . A A . 5 VAL HA 1 1 3 699 1 1 5 VAL HB H -1.913 -12.262 -2.200 1.00 . A A . 5 VAL HB 1 1 3 700 1 1 5 VAL HG11 H -0.595 -10.595 -3.300 1.00 . A A . 5 VAL HG11 1 1 3 701 1 1 5 VAL HG12 H 0.895 -11.477 -2.964 1.00 . A A . 5 VAL HG12 1 1 3 702 1 1 5 VAL HG13 H -0.289 -12.142 -4.091 1.00 . A A . 5 VAL HG13 1 1 3 703 1 1 5 VAL HG21 H -0.799 -14.273 -2.851 1.00 . A A . 5 VAL HG21 1 1 3 704 1 1 5 VAL HG22 H 0.656 -13.820 -1.964 1.00 . A A . 5 VAL HG22 1 1 3 705 1 1 5 VAL HG23 H -0.821 -14.218 -1.088 1.00 . A A . 5 VAL HG23 1 1 3 706 1 1 5 VAL N N -1.220 -12.261 0.416 1.00 . A A . 5 VAL N 1 1 3 707 1 1 5 VAL O O -0.204 -9.306 -1.317 1.00 . A A . 5 VAL O 1 1 3 708 1 1 6 LEU C C -1.657 -7.491 0.332 1.00 . A A . 6 LEU C 1 1 3 709 1 1 6 LEU CA C -2.646 -8.454 -0.318 1.00 . A A . 6 LEU CA 1 1 3 710 1 1 6 LEU CB C -3.997 -8.375 0.394 1.00 . A A . 6 LEU CB 1 1 3 711 1 1 6 LEU CD1 C -6.480 -8.716 0.371 1.00 . A A . 6 LEU CD1 1 1 3 712 1 1 6 LEU CD2 C -5.384 -7.403 -1.454 1.00 . A A . 6 LEU CD2 1 1 3 713 1 1 6 LEU CG C -5.233 -8.568 -0.486 1.00 . A A . 6 LEU CG 1 1 3 714 1 1 6 LEU H H -2.687 -10.525 0.117 1.00 . A A . 6 LEU H 1 1 3 715 1 1 6 LEU HA H -2.777 -8.173 -1.352 1.00 . A A . 6 LEU HA 1 1 3 716 1 1 6 LEU HB2 H -4.013 -9.138 1.158 1.00 . A A . 6 LEU HB2 1 1 3 717 1 1 6 LEU HB3 H -4.069 -7.401 0.859 1.00 . A A . 6 LEU HB3 1 1 3 718 1 1 6 LEU HD11 H -7.324 -8.283 -0.144 1.00 . A A . 6 LEU HD11 1 1 3 719 1 1 6 LEU HD12 H -6.333 -8.207 1.313 1.00 . A A . 6 LEU HD12 1 1 3 720 1 1 6 LEU HD13 H -6.668 -9.764 0.554 1.00 . A A . 6 LEU HD13 1 1 3 721 1 1 6 LEU HD21 H -6.215 -6.786 -1.147 1.00 . A A . 6 LEU HD21 1 1 3 722 1 1 6 LEU HD22 H -5.566 -7.784 -2.448 1.00 . A A . 6 LEU HD22 1 1 3 723 1 1 6 LEU HD23 H -4.479 -6.814 -1.453 1.00 . A A . 6 LEU HD23 1 1 3 724 1 1 6 LEU HG H -5.117 -9.472 -1.065 1.00 . A A . 6 LEU HG 1 1 3 725 1 1 6 LEU N N -2.137 -9.821 -0.287 1.00 . A A . 6 LEU N 1 1 3 726 1 1 6 LEU O O -1.636 -6.303 0.016 1.00 . A A . 6 LEU O 1 1 3 727 1 1 7 ALA C C 1.150 -6.599 0.948 1.00 . A A . 7 ALA C 1 1 3 728 1 1 7 ALA CA C 0.153 -7.202 1.932 1.00 . A A . 7 ALA CA 1 1 3 729 1 1 7 ALA CB C 0.879 -8.033 2.979 1.00 . A A . 7 ALA CB 1 1 3 730 1 1 7 ALA H H -0.907 -8.968 1.449 1.00 . A A . 7 ALA H 1 1 3 731 1 1 7 ALA HA H -0.365 -6.401 2.440 1.00 . A A . 7 ALA HA 1 1 3 732 1 1 7 ALA HB1 H 0.755 -7.576 3.950 1.00 . A A . 7 ALA HB1 1 1 3 733 1 1 7 ALA HB2 H 0.465 -9.031 2.995 1.00 . A A . 7 ALA HB2 1 1 3 734 1 1 7 ALA HB3 H 1.929 -8.082 2.734 1.00 . A A . 7 ALA HB3 1 1 3 735 1 1 7 ALA N N -0.841 -8.014 1.240 1.00 . A A . 7 ALA N 1 1 3 736 1 1 7 ALA O O 1.726 -5.541 1.202 1.00 . A A . 7 ALA O 1 1 3 737 1 1 8 LYS C C 1.848 -5.451 -1.742 1.00 . A A . 8 LYS C 1 1 3 738 1 1 8 LYS CA C 2.277 -6.810 -1.198 1.00 . A A . 8 LYS CA 1 1 3 739 1 1 8 LYS CB C 2.362 -7.824 -2.342 1.00 . A A . 8 LYS CB 1 1 3 740 1 1 8 LYS CD C 3.754 -8.412 -4.349 1.00 . A A . 8 LYS CD 1 1 3 741 1 1 8 LYS CE C 5.159 -8.675 -4.868 1.00 . A A . 8 LYS CE 1 1 3 742 1 1 8 LYS CG C 3.769 -8.017 -2.881 1.00 . A A . 8 LYS CG 1 1 3 743 1 1 8 LYS H H 0.861 -8.116 -0.321 1.00 . A A . 8 LYS H 1 1 3 744 1 1 8 LYS HA H 3.251 -6.712 -0.744 1.00 . A A . 8 LYS HA 1 1 3 745 1 1 8 LYS HB2 H 2.000 -8.778 -1.988 1.00 . A A . 8 LYS HB2 1 1 3 746 1 1 8 LYS HB3 H 1.731 -7.488 -3.153 1.00 . A A . 8 LYS HB3 1 1 3 747 1 1 8 LYS HD2 H 3.166 -9.310 -4.465 1.00 . A A . 8 LYS HD2 1 1 3 748 1 1 8 LYS HD3 H 3.311 -7.611 -4.923 1.00 . A A . 8 LYS HD3 1 1 3 749 1 1 8 LYS HE2 H 5.731 -9.161 -4.094 1.00 . A A . 8 LYS HE2 1 1 3 750 1 1 8 LYS HE3 H 5.094 -9.325 -5.729 1.00 . A A . 8 LYS HE3 1 1 3 751 1 1 8 LYS HG2 H 4.316 -7.092 -2.774 1.00 . A A . 8 LYS HG2 1 1 3 752 1 1 8 LYS HG3 H 4.258 -8.796 -2.313 1.00 . A A . 8 LYS HG3 1 1 3 753 1 1 8 LYS HZ1 H 6.116 -7.454 -6.269 1.00 . A A . 8 LYS HZ1 1 1 3 754 1 1 8 LYS HZ2 H 6.709 -7.286 -4.695 1.00 . A A . 8 LYS HZ2 1 1 3 755 1 1 8 LYS HZ3 H 5.220 -6.601 -5.114 1.00 . A A . 8 LYS HZ3 1 1 3 756 1 1 8 LYS N N 1.350 -7.278 -0.176 1.00 . A A . 8 LYS N 1 1 3 757 1 1 8 LYS NZ N 5.849 -7.416 -5.264 1.00 . A A . 8 LYS NZ 1 1 3 758 1 1 8 LYS O O 2.646 -4.731 -2.342 1.00 . A A . 8 LYS O 1 1 3 759 1 1 9 VAL C C -0.789 -3.159 -0.908 1.00 . A A . 9 VAL C 1 1 3 760 1 1 9 VAL CA C 0.048 -3.831 -1.990 1.00 . A A . 9 VAL CA 1 1 3 761 1 1 9 VAL CB C -0.814 -4.012 -3.253 1.00 . A A . 9 VAL CB 1 1 3 762 1 1 9 VAL CG1 C -1.040 -2.674 -3.942 1.00 . A A . 9 VAL CG1 1 1 3 763 1 1 9 VAL CG2 C -0.165 -5.007 -4.204 1.00 . A A . 9 VAL CG2 1 1 3 764 1 1 9 VAL H H -0.005 -5.722 -1.041 1.00 . A A . 9 VAL H 1 1 3 765 1 1 9 VAL HA H 0.881 -3.190 -2.238 1.00 . A A . 9 VAL HA 1 1 3 766 1 1 9 VAL HB H -1.775 -4.405 -2.956 1.00 . A A . 9 VAL HB 1 1 3 767 1 1 9 VAL HG11 H -1.718 -2.076 -3.352 1.00 . A A . 9 VAL HG11 1 1 3 768 1 1 9 VAL HG12 H -0.097 -2.158 -4.044 1.00 . A A . 9 VAL HG12 1 1 3 769 1 1 9 VAL HG13 H -1.467 -2.841 -4.920 1.00 . A A . 9 VAL HG13 1 1 3 770 1 1 9 VAL HG21 H 0.907 -4.975 -4.079 1.00 . A A . 9 VAL HG21 1 1 3 771 1 1 9 VAL HG22 H -0.523 -6.003 -3.983 1.00 . A A . 9 VAL HG22 1 1 3 772 1 1 9 VAL HG23 H -0.419 -4.752 -5.221 1.00 . A A . 9 VAL HG23 1 1 3 773 1 1 9 VAL N N 0.583 -5.105 -1.525 1.00 . A A . 9 VAL N 1 1 3 774 1 1 9 VAL O O -1.908 -2.713 -1.162 1.00 . A A . 9 VAL O 1 1 3 775 1 1 10 ALA C C 0.046 -2.051 2.511 1.00 . A A . 10 ALA C 1 1 3 776 1 1 10 ALA CA C -0.935 -2.468 1.421 1.00 . A A . 10 ALA CA 1 1 3 777 1 1 10 ALA CB C -1.981 -3.418 1.984 1.00 . A A . 10 ALA CB 1 1 3 778 1 1 10 ALA H H 0.655 -3.462 0.439 1.00 . A A . 10 ALA H 1 1 3 779 1 1 10 ALA HA H -1.444 -1.589 1.052 1.00 . A A . 10 ALA HA 1 1 3 780 1 1 10 ALA HB1 H -1.521 -4.371 2.202 1.00 . A A . 10 ALA HB1 1 1 3 781 1 1 10 ALA HB2 H -2.395 -3.002 2.890 1.00 . A A . 10 ALA HB2 1 1 3 782 1 1 10 ALA HB3 H -2.769 -3.557 1.258 1.00 . A A . 10 ALA HB3 1 1 3 783 1 1 10 ALA N N -0.239 -3.089 0.300 1.00 . A A . 10 ALA N 1 1 3 784 1 1 10 ALA O O 0.426 -2.894 3.300 1.00 . A A . 10 ALA O 1 1 3 785 1 1 11 . C C 2.646 0.678 2.723 1.00 . A A . 11 I4G C 1 1 3 786 1 1 11 . CA C 1.507 -0.029 3.415 1.00 . A A . 11 I4G CA 1 1 3 787 1 1 11 . CB C -0.026 0.403 1.528 1.00 . A A . 11 I4G CB 1 1 3 788 1 1 11 . CD1 C -2.010 1.910 0.942 1.00 . A A . 11 I4G CD1 1 1 3 789 1 1 11 . CD2 C -2.167 0.285 2.869 1.00 . A A . 11 I4G CD2 1 1 3 790 1 1 11 . CG C -1.225 1.215 2.081 1.00 . A A . 11 I4G CG 1 1 3 791 1 1 11 . HA2 H 1.878 -0.795 3.940 1.00 . A A . 11 I4G HA2 1 1 3 792 1 1 11 . HA3 H 1.060 0.615 4.035 1.00 . A A . 11 I4G HA3 1 1 3 793 1 1 11 . HB2 H -0.304 -0.105 0.713 1.00 . A A . 11 I4G HB2 1 1 3 794 1 1 11 . HB3 H 0.727 1.018 1.297 1.00 . A A . 11 I4G HB3 1 1 3 795 1 1 11 . HD11 H -2.867 2.453 1.344 1.00 . A A . 11 I4G HD11 1 1 3 796 1 1 11 . HD12 H -1.375 2.620 0.413 1.00 . A A . 11 I4G HD12 1 1 3 797 1 1 11 . HD13 H -2.371 1.172 0.222 1.00 . A A . 11 I4G HD13 1 1 3 798 1 1 11 . HD21 H -3.006 0.848 3.285 1.00 . A A . 11 I4G HD21 1 1 3 799 1 1 11 . HD22 H -2.566 -0.501 2.221 1.00 . A A . 11 I4G HD22 1 1 3 800 1 1 11 . HD23 H -1.634 -0.191 3.695 1.00 . A A . 11 I4G HD23 1 1 3 801 1 1 11 . HG H -0.854 1.981 2.767 1.00 . A A . 11 I4G HG 1 1 3 802 1 1 11 . N N 0.474 -0.568 2.513 1.00 . A A . 11 I4G N 1 1 3 803 1 1 11 . O O 3.177 1.684 3.196 1.00 . A A . 11 I4G O 1 1 3 804 1 1 12 HIS C C 3.487 1.517 -0.428 1.00 . A A . 12 HIS C 1 1 3 805 1 1 12 HIS CA C 4.067 0.736 0.747 1.00 . A A . 12 HIS CA 1 1 3 806 1 1 12 HIS CB C 5.008 -0.355 0.235 1.00 . A A . 12 HIS CB 1 1 3 807 1 1 12 HIS CD2 C 3.340 -1.608 -1.307 1.00 . A A . 12 HIS CD2 1 1 3 808 1 1 12 HIS CE1 C 4.611 -1.773 -3.086 1.00 . A A . 12 HIS CE1 1 1 3 809 1 1 12 HIS CG C 4.526 -1.022 -1.016 1.00 . A A . 12 HIS CG 1 1 3 810 1 1 12 HIS H H 2.544 -0.652 1.234 1.00 . A A . 12 HIS H 1 1 3 811 1 1 12 HIS HA H 4.626 1.415 1.374 1.00 . A A . 12 HIS HA 1 1 3 812 1 1 12 HIS HB2 H 5.974 0.080 0.027 1.00 . A A . 12 HIS HB2 1 1 3 813 1 1 12 HIS HB3 H 5.117 -1.114 0.996 1.00 . A A . 12 HIS HB3 1 1 3 814 1 1 12 HIS HD1 H 6.217 -0.815 -2.256 1.00 . A A . 12 HIS HD1 1 1 3 815 1 1 12 HIS HD2 H 2.490 -1.698 -0.646 1.00 . A A . 12 HIS HD2 1 1 3 816 1 1 12 HIS HE1 H 4.962 -2.009 -4.079 1.00 . A A . 12 HIS HE1 1 1 3 817 1 1 12 HIS N N 3.005 0.151 1.557 1.00 . A A . 12 HIS N 1 1 3 818 1 1 12 HIS ND1 N 5.300 -1.144 -2.151 1.00 . A A . 12 HIS ND1 1 1 3 819 1 1 12 HIS NE2 N 3.419 -2.066 -2.599 1.00 . A A . 12 HIS NE2 1 1 3 820 1 1 12 HIS O O 4.144 2.395 -0.988 1.00 . A A . 12 HIS O 1 1 3 821 1 1 13 VAL C C 1.548 3.371 -1.693 1.00 . A A . 13 VAL C 1 1 3 822 1 1 13 VAL CA C 1.584 1.862 -1.905 1.00 . A A . 13 VAL CA 1 1 3 823 1 1 13 VAL CB C 0.143 1.346 -2.086 1.00 . A A . 13 VAL CB 1 1 3 824 1 1 13 VAL CG1 C -0.584 2.155 -3.150 1.00 . A A . 13 VAL CG1 1 1 3 825 1 1 13 VAL CG2 C 0.148 -0.133 -2.438 1.00 . A A . 13 VAL CG2 1 1 3 826 1 1 13 VAL H H 1.780 0.483 -0.311 1.00 . A A . 13 VAL H 1 1 3 827 1 1 13 VAL HA H 2.136 1.647 -2.808 1.00 . A A . 13 VAL HA 1 1 3 828 1 1 13 VAL HB H -0.383 1.471 -1.150 1.00 . A A . 13 VAL HB 1 1 3 829 1 1 13 VAL HG11 H -1.314 2.797 -2.678 1.00 . A A . 13 VAL HG11 1 1 3 830 1 1 13 VAL HG12 H 0.129 2.757 -3.694 1.00 . A A . 13 VAL HG12 1 1 3 831 1 1 13 VAL HG13 H -1.084 1.483 -3.832 1.00 . A A . 13 VAL HG13 1 1 3 832 1 1 13 VAL HG21 H -0.859 -0.520 -2.376 1.00 . A A . 13 VAL HG21 1 1 3 833 1 1 13 VAL HG22 H 0.521 -0.264 -3.444 1.00 . A A . 13 VAL HG22 1 1 3 834 1 1 13 VAL HG23 H 0.782 -0.666 -1.746 1.00 . A A . 13 VAL HG23 1 1 3 835 1 1 13 VAL N N 2.252 1.191 -0.797 1.00 . A A . 13 VAL N 1 1 3 836 1 1 13 VAL O O 1.888 4.143 -2.591 1.00 . A A . 13 VAL O 1 1 3 837 1 1 14 VAL C C 2.367 5.916 -0.490 1.00 . A A . 14 VAL C 1 1 3 838 1 1 14 VAL CA C 1.058 5.205 -0.169 1.00 . A A . 14 VAL CA 1 1 3 839 1 1 14 VAL CB C 0.722 5.415 1.319 1.00 . A A . 14 VAL CB 1 1 3 840 1 1 14 VAL CG1 C 0.710 6.898 1.659 1.00 . A A . 14 VAL CG1 1 1 3 841 1 1 14 VAL CG2 C -0.612 4.771 1.661 1.00 . A A . 14 VAL CG2 1 1 3 842 1 1 14 VAL H H 0.878 3.124 0.174 1.00 . A A . 14 VAL H 1 1 3 843 1 1 14 VAL HA H 0.267 5.643 -0.760 1.00 . A A . 14 VAL HA 1 1 3 844 1 1 14 VAL HB H 1.490 4.941 1.912 1.00 . A A . 14 VAL HB 1 1 3 845 1 1 14 VAL HG11 H 1.705 7.212 1.939 1.00 . A A . 14 VAL HG11 1 1 3 846 1 1 14 VAL HG12 H 0.382 7.463 0.798 1.00 . A A . 14 VAL HG12 1 1 3 847 1 1 14 VAL HG13 H 0.033 7.073 2.482 1.00 . A A . 14 VAL HG13 1 1 3 848 1 1 14 VAL HG21 H -1.162 4.579 0.751 1.00 . A A . 14 VAL HG21 1 1 3 849 1 1 14 VAL HG22 H -0.440 3.840 2.181 1.00 . A A . 14 VAL HG22 1 1 3 850 1 1 14 VAL HG23 H -1.182 5.435 2.293 1.00 . A A . 14 VAL HG23 1 1 3 851 1 1 14 VAL N N 1.136 3.787 -0.501 1.00 . A A . 14 VAL N 1 1 3 852 1 1 14 VAL O O 2.375 6.959 -1.143 1.00 . A A . 14 VAL O 1 1 3 853 1 1 15 GLY C C 5.047 6.144 -1.751 1.00 . A A . 15 GLY C 1 1 3 854 1 1 15 GLY CA C 4.775 5.938 -0.273 1.00 . A A . 15 GLY CA 1 1 3 855 1 1 15 GLY H H 3.407 4.513 0.488 1.00 . A A . 15 GLY H 1 1 3 856 1 1 15 GLY HA2 H 4.825 6.893 0.227 1.00 . A A . 15 GLY HA2 1 1 3 857 1 1 15 GLY HA3 H 5.538 5.289 0.133 1.00 . A A . 15 GLY HA3 1 1 3 858 1 1 15 GLY N N 3.474 5.345 -0.026 1.00 . A A . 15 GLY N 1 1 3 859 1 1 15 GLY O O 5.862 6.986 -2.127 1.00 . A A . 15 GLY O 1 1 3 860 1 1 16 ALA C C 3.554 6.474 -4.634 1.00 . A A . 16 ALA C 1 1 3 861 1 1 16 ALA CA C 4.536 5.473 -4.034 1.00 . A A . 16 ALA CA 1 1 3 862 1 1 16 ALA CB C 4.366 4.108 -4.684 1.00 . A A . 16 ALA CB 1 1 3 863 1 1 16 ALA H H 3.730 4.718 -2.229 1.00 . A A . 16 ALA H 1 1 3 864 1 1 16 ALA HA H 5.544 5.814 -4.226 1.00 . A A . 16 ALA HA 1 1 3 865 1 1 16 ALA HB1 H 3.515 4.132 -5.350 1.00 . A A . 16 ALA HB1 1 1 3 866 1 1 16 ALA HB2 H 5.257 3.862 -5.242 1.00 . A A . 16 ALA HB2 1 1 3 867 1 1 16 ALA HB3 H 4.203 3.364 -3.918 1.00 . A A . 16 ALA HB3 1 1 3 868 1 1 16 ALA N N 4.365 5.372 -2.590 1.00 . A A . 16 ALA N 1 1 3 869 1 1 16 ALA O O 3.952 7.404 -5.335 1.00 . A A . 16 ALA O 1 1 3 870 1 1 17 ILE C C 1.498 8.608 -4.469 1.00 . A A . 17 ILE C 1 1 3 871 1 1 17 ILE CA C 1.233 7.160 -4.868 1.00 . A A . 17 ILE CA 1 1 3 872 1 1 17 ILE CB C -0.162 6.748 -4.360 1.00 . A A . 17 ILE CB 1 1 3 873 1 1 17 ILE CD1 C -1.845 4.838 -4.339 1.00 . A A . 17 ILE CD1 1 1 3 874 1 1 17 ILE CG1 C -0.483 5.316 -4.794 1.00 . A A . 17 ILE CG1 1 1 3 875 1 1 17 ILE CG2 C -1.220 7.713 -4.871 1.00 . A A . 17 ILE CG2 1 1 3 876 1 1 17 ILE H H 2.015 5.516 -3.791 1.00 . A A . 17 ILE H 1 1 3 877 1 1 17 ILE HA H 1.236 7.088 -5.946 1.00 . A A . 17 ILE HA 1 1 3 878 1 1 17 ILE HB H -0.156 6.796 -3.281 1.00 . A A . 17 ILE HB 1 1 3 879 1 1 17 ILE HD11 H -1.911 4.908 -3.264 1.00 . A A . 17 ILE HD11 1 1 3 880 1 1 17 ILE HD12 H -2.611 5.452 -4.789 1.00 . A A . 17 ILE HD12 1 1 3 881 1 1 17 ILE HD13 H -1.984 3.809 -4.642 1.00 . A A . 17 ILE HD13 1 1 3 882 1 1 17 ILE HG12 H -0.454 5.259 -5.871 1.00 . A A . 17 ILE HG12 1 1 3 883 1 1 17 ILE HG13 H 0.258 4.647 -4.382 1.00 . A A . 17 ILE HG13 1 1 3 884 1 1 17 ILE HG21 H -2.190 7.409 -4.506 1.00 . A A . 17 ILE HG21 1 1 3 885 1 1 17 ILE HG22 H -0.999 8.709 -4.517 1.00 . A A . 17 ILE HG22 1 1 3 886 1 1 17 ILE HG23 H -1.222 7.706 -5.950 1.00 . A A . 17 ILE HG23 1 1 3 887 1 1 17 ILE N N 2.270 6.276 -4.355 1.00 . A A . 17 ILE N 1 1 3 888 1 1 17 ILE O O 1.223 9.533 -5.232 1.00 . A A . 17 ILE O 1 1 3 889 1 1 18 ALA C C 3.569 10.709 -3.469 1.00 . A A . 18 ALA C 1 1 3 890 1 1 18 ALA CA C 2.343 10.131 -2.769 1.00 . A A . 18 ALA CA 1 1 3 891 1 1 18 ALA CB C 2.560 10.094 -1.264 1.00 . A A . 18 ALA CB 1 1 3 892 1 1 18 ALA H H 2.233 8.018 -2.706 1.00 . A A . 18 ALA H 1 1 3 893 1 1 18 ALA HA H 1.493 10.766 -2.970 1.00 . A A . 18 ALA HA 1 1 3 894 1 1 18 ALA HB1 H 1.610 9.961 -0.767 1.00 . A A . 18 ALA HB1 1 1 3 895 1 1 18 ALA HB2 H 3.216 9.274 -1.015 1.00 . A A . 18 ALA HB2 1 1 3 896 1 1 18 ALA HB3 H 3.008 11.023 -0.943 1.00 . A A . 18 ALA HB3 1 1 3 897 1 1 18 ALA N N 2.036 8.796 -3.269 1.00 . A A . 18 ALA N 1 1 3 898 1 1 18 ALA O O 3.836 11.908 -3.381 1.00 . A A . 18 ALA O 1 1 3 899 1 1 19 GLU C C 5.144 11.085 -6.116 1.00 . A A . 19 GLU C 1 1 3 900 1 1 19 GLU CA C 5.509 10.278 -4.873 1.00 . A A . 19 GLU CA 1 1 3 901 1 1 19 GLU CB C 6.355 9.067 -5.268 1.00 . A A . 19 GLU CB 1 1 3 902 1 1 19 GLU CD C 8.436 9.874 -4.086 1.00 . A A . 19 GLU CD 1 1 3 903 1 1 19 GLU CG C 7.839 9.371 -5.386 1.00 . A A . 19 GLU CG 1 1 3 904 1 1 19 GLU H H 4.046 8.908 -4.193 1.00 . A A . 19 GLU H 1 1 3 905 1 1 19 GLU HA H 6.084 10.905 -4.209 1.00 . A A . 19 GLU HA 1 1 3 906 1 1 19 GLU HB2 H 6.225 8.294 -4.524 1.00 . A A . 19 GLU HB2 1 1 3 907 1 1 19 GLU HB3 H 6.008 8.696 -6.222 1.00 . A A . 19 GLU HB3 1 1 3 908 1 1 19 GLU HG2 H 8.356 8.469 -5.677 1.00 . A A . 19 GLU HG2 1 1 3 909 1 1 19 GLU HG3 H 7.979 10.126 -6.145 1.00 . A A . 19 GLU HG3 1 1 3 910 1 1 19 GLU N N 4.311 9.851 -4.161 1.00 . A A . 19 GLU N 1 1 3 911 1 1 19 GLU O O 5.675 12.173 -6.342 1.00 . A A . 19 GLU O 1 1 3 912 1 1 19 GLU OE1 O 8.496 9.087 -3.118 1.00 . A A . 19 GLU OE1 1 1 3 913 1 1 19 GLU OE2 O 8.842 11.053 -4.036 1.00 . A A . 19 GLU OE2 1 1 3 914 1 1 20 HIS C C 2.804 12.323 -7.825 1.00 . A A . 20 HIS C 1 1 3 915 1 1 20 HIS CA C 3.799 11.211 -8.141 1.00 . A A . 20 HIS CA 1 1 3 916 1 1 20 HIS CB C 3.166 10.203 -9.101 1.00 . A A . 20 HIS CB 1 1 3 917 1 1 20 HIS CD2 C 1.074 9.064 -8.075 1.00 . A A . 20 HIS CD2 1 1 3 918 1 1 20 HIS CE1 C -0.465 10.296 -9.035 1.00 . A A . 20 HIS CE1 1 1 3 919 1 1 20 HIS CG C 1.707 9.973 -8.854 1.00 . A A . 20 HIS CG 1 1 3 920 1 1 20 HIS H H 3.848 9.673 -6.686 1.00 . A A . 20 HIS H 1 1 3 921 1 1 20 HIS HA H 4.669 11.645 -8.610 1.00 . A A . 20 HIS HA 1 1 3 922 1 1 20 HIS HB2 H 3.277 10.562 -10.114 1.00 . A A . 20 HIS HB2 1 1 3 923 1 1 20 HIS HB3 H 3.674 9.254 -9.002 1.00 . A A . 20 HIS HB3 1 1 3 924 1 1 20 HIS HD1 H 0.856 11.473 -10.063 1.00 . A A . 20 HIS HD1 1 1 3 925 1 1 20 HIS HD2 H 1.542 8.304 -7.465 1.00 . A A . 20 HIS HD2 1 1 3 926 1 1 20 HIS HE1 H -1.422 10.698 -9.331 1.00 . A A . 20 HIS HE1 1 1 3 927 1 1 20 HIS N N 4.235 10.542 -6.921 1.00 . A A . 20 HIS N 1 1 3 928 1 1 20 HIS ND1 N 0.715 10.729 -9.441 1.00 . A A . 20 HIS ND1 1 1 3 929 1 1 20 HIS NE2 N -0.275 9.285 -8.206 1.00 . A A . 20 HIS NE2 1 1 3 930 1 1 20 HIS O O 2.645 13.267 -8.601 1.00 . A A . 20 HIS O 1 1 3 931 1 1 21 PHE C C 1.751 14.153 -5.233 1.00 . A A . 21 PHE C 1 1 3 932 1 1 21 PHE CA C 1.154 13.201 -6.266 1.00 . A A . 21 PHE CA 1 1 3 933 1 1 21 PHE CB C -0.085 12.515 -5.688 1.00 . A A . 21 PHE CB 1 1 3 934 1 1 21 PHE CD1 C -1.682 13.277 -7.469 1.00 . A A . 21 PHE CD1 1 1 3 935 1 1 21 PHE CD2 C -2.288 13.608 -5.187 1.00 . A A . 21 PHE CD2 1 1 3 936 1 1 21 PHE CE1 C -2.869 13.857 -7.872 1.00 . A A . 21 PHE CE1 1 1 3 937 1 1 21 PHE CE2 C -3.478 14.189 -5.584 1.00 . A A . 21 PHE CE2 1 1 3 938 1 1 21 PHE CG C -1.377 13.147 -6.123 1.00 . A A . 21 PHE CG 1 1 3 939 1 1 21 PHE CZ C -3.769 14.313 -6.928 1.00 . A A . 21 PHE CZ 1 1 3 940 1 1 21 PHE H H 2.305 11.432 -6.108 1.00 . A A . 21 PHE H 1 1 3 941 1 1 21 PHE HA H 0.868 13.769 -7.138 1.00 . A A . 21 PHE HA 1 1 3 942 1 1 21 PHE HB2 H -0.098 11.484 -6.004 1.00 . A A . 21 PHE HB2 1 1 3 943 1 1 21 PHE HB3 H -0.041 12.557 -4.610 1.00 . A A . 21 PHE HB3 1 1 3 944 1 1 21 PHE HD1 H -0.979 12.920 -8.207 1.00 . A A . 21 PHE HD1 1 1 3 945 1 1 21 PHE HD2 H -2.061 13.511 -4.134 1.00 . A A . 21 PHE HD2 1 1 3 946 1 1 21 PHE HE1 H -3.094 13.952 -8.923 1.00 . A A . 21 PHE HE1 1 1 3 947 1 1 21 PHE HE2 H -4.179 14.544 -4.843 1.00 . A A . 21 PHE HE2 1 1 3 948 1 1 21 PHE HZ H -4.698 14.767 -7.240 1.00 . A A . 21 PHE HZ 1 1 3 949 1 1 21 PHE N N 2.135 12.206 -6.683 1.00 . A A . 21 PHE N 1 1 3 950 1 1 21 PHE O O 1.057 14.764 -4.457 1.00 . A A . 21 PHE O 1 1 3 951 1 1 22 NH2 HN1 H 3.755 13.731 -5.934 1.00 . A A . 22 NH2 HN1 1 1 3 952 1 1 22 NH2 HN2 H 3.700 14.896 -4.576 1.00 . A A . 22 NH2 HN2 1 1 3 953 1 1 22 NH2 N N 3.262 14.287 -5.241 1.00 . A A . 22 NH2 N 1 1 3 954 2 2 1 UNX UNK . -13.225 0.527 -12.536 1.00 . B A . 100 UNX UNK 1 1 4 955 1 1 1 GLY C C -3.935 -15.902 0.713 1.00 . A A . 1 GLY C 1 1 4 956 1 1 1 GLY CA C -3.615 -17.122 1.551 1.00 . A A . 1 GLY CA 1 1 4 957 1 1 1 GLY H1 H -1.904 -17.136 2.748 1.00 . A A . 1 GLY H1 1 1 4 958 1 1 1 GLY H2 H -1.773 -18.100 1.437 1.00 . A A . 1 GLY H2 1 1 4 959 1 1 1 GLY H3 H -1.560 -16.636 1.399 1.00 . A A . 1 GLY H3 1 1 4 960 1 1 1 GLY HA2 H -3.971 -18.003 1.037 1.00 . A A . 1 GLY HA2 1 1 4 961 1 1 1 GLY HA3 H -4.128 -17.038 2.498 1.00 . A A . 1 GLY HA3 1 1 4 962 1 1 1 GLY N N -2.193 -17.268 1.800 1.00 . A A . 1 GLY N 1 1 4 963 1 1 1 GLY O O -3.032 -15.221 0.222 1.00 . A A . 1 GLY O 1 1 4 964 1 1 2 LEU C C -5.055 -13.181 0.297 1.00 . A A . 2 LEU C 1 1 4 965 1 1 2 LEU CA C -5.659 -14.474 -0.242 1.00 . A A . 2 LEU CA 1 1 4 966 1 1 2 LEU CB C -7.186 -14.377 -0.236 1.00 . A A . 2 LEU CB 1 1 4 967 1 1 2 LEU CD1 C -9.223 -14.385 -1.697 1.00 . A A . 2 LEU CD1 1 1 4 968 1 1 2 LEU CD2 C -7.881 -12.290 -1.438 1.00 . A A . 2 LEU CD2 1 1 4 969 1 1 2 LEU CG C -7.828 -13.809 -1.502 1.00 . A A . 2 LEU CG 1 1 4 970 1 1 2 LEU H H -5.896 -16.199 0.960 1.00 . A A . 2 LEU H 1 1 4 971 1 1 2 LEU HA H -5.321 -14.620 -1.258 1.00 . A A . 2 LEU HA 1 1 4 972 1 1 2 LEU HB2 H -7.580 -15.370 -0.082 1.00 . A A . 2 LEU HB2 1 1 4 973 1 1 2 LEU HB3 H -7.473 -13.747 0.593 1.00 . A A . 2 LEU HB3 1 1 4 974 1 1 2 LEU HD11 H -9.449 -15.061 -0.887 1.00 . A A . 2 LEU HD11 1 1 4 975 1 1 2 LEU HD12 H -9.263 -14.920 -2.635 1.00 . A A . 2 LEU HD12 1 1 4 976 1 1 2 LEU HD13 H -9.945 -13.582 -1.710 1.00 . A A . 2 LEU HD13 1 1 4 977 1 1 2 LEU HD21 H -8.834 -11.980 -1.036 1.00 . A A . 2 LEU HD21 1 1 4 978 1 1 2 LEU HD22 H -7.762 -11.883 -2.432 1.00 . A A . 2 LEU HD22 1 1 4 979 1 1 2 LEU HD23 H -7.087 -11.929 -0.802 1.00 . A A . 2 LEU HD23 1 1 4 980 1 1 2 LEU HG H -7.230 -14.089 -2.359 1.00 . A A . 2 LEU HG 1 1 4 981 1 1 2 LEU N N -5.222 -15.621 0.545 1.00 . A A . 2 LEU N 1 1 4 982 1 1 2 LEU O O -4.293 -12.503 -0.395 1.00 . A A . 2 LEU O 1 1 4 983 1 1 3 PHE C C -3.372 -11.710 2.346 1.00 . A A . 3 PHE C 1 1 4 984 1 1 3 PHE CA C -4.886 -11.635 2.169 1.00 . A A . 3 PHE CA 1 1 4 985 1 1 3 PHE CB C -5.560 -11.421 3.526 1.00 . A A . 3 PHE CB 1 1 4 986 1 1 3 PHE CD1 C -4.694 -9.198 4.304 1.00 . A A . 3 PHE CD1 1 1 4 987 1 1 3 PHE CD2 C -7.011 -9.389 3.773 1.00 . A A . 3 PHE CD2 1 1 4 988 1 1 3 PHE CE1 C -4.874 -7.866 4.627 1.00 . A A . 3 PHE CE1 1 1 4 989 1 1 3 PHE CE2 C -7.196 -8.057 4.092 1.00 . A A . 3 PHE CE2 1 1 4 990 1 1 3 PHE CG C -5.759 -9.974 3.875 1.00 . A A . 3 PHE CG 1 1 4 991 1 1 3 PHE CZ C -6.127 -7.295 4.520 1.00 . A A . 3 PHE CZ 1 1 4 992 1 1 3 PHE H H -6.007 -13.426 2.038 1.00 . A A . 3 PHE H 1 1 4 993 1 1 3 PHE HA H -5.120 -10.802 1.525 1.00 . A A . 3 PHE HA 1 1 4 994 1 1 3 PHE HB2 H -6.529 -11.896 3.518 1.00 . A A . 3 PHE HB2 1 1 4 995 1 1 3 PHE HB3 H -4.951 -11.869 4.297 1.00 . A A . 3 PHE HB3 1 1 4 996 1 1 3 PHE HD1 H -3.713 -9.644 4.387 1.00 . A A . 3 PHE HD1 1 1 4 997 1 1 3 PHE HD2 H -7.848 -9.983 3.440 1.00 . A A . 3 PHE HD2 1 1 4 998 1 1 3 PHE HE1 H -4.035 -7.273 4.960 1.00 . A A . 3 PHE HE1 1 1 4 999 1 1 3 PHE HE2 H -8.177 -7.613 4.009 1.00 . A A . 3 PHE HE2 1 1 4 1000 1 1 3 PHE HZ H -6.269 -6.254 4.771 1.00 . A A . 3 PHE HZ 1 1 4 1001 1 1 3 PHE N N -5.397 -12.846 1.536 1.00 . A A . 3 PHE N 1 1 4 1002 1 1 3 PHE O O -2.684 -10.690 2.345 1.00 . A A . 3 PHE O 1 1 4 1003 1 1 4 GLY C C -0.618 -12.412 1.608 1.00 . A A . 4 GLY C 1 1 4 1004 1 1 4 GLY CA C -1.432 -13.116 2.676 1.00 . A A . 4 GLY CA 1 1 4 1005 1 1 4 GLY H H -3.457 -13.706 2.492 1.00 . A A . 4 GLY H 1 1 4 1006 1 1 4 GLY HA2 H -1.146 -12.730 3.643 1.00 . A A . 4 GLY HA2 1 1 4 1007 1 1 4 GLY HA3 H -1.213 -14.172 2.642 1.00 . A A . 4 GLY HA3 1 1 4 1008 1 1 4 GLY N N -2.860 -12.929 2.498 1.00 . A A . 4 GLY N 1 1 4 1009 1 1 4 GLY O O 0.522 -12.014 1.847 1.00 . A A . 4 GLY O 1 1 4 1010 1 1 5 VAL C C -0.935 -10.135 -0.786 1.00 . A A . 5 VAL C 1 1 4 1011 1 1 5 VAL CA C -0.526 -11.600 -0.686 1.00 . A A . 5 VAL CA 1 1 4 1012 1 1 5 VAL CB C -0.829 -12.300 -2.023 1.00 . A A . 5 VAL CB 1 1 4 1013 1 1 5 VAL CG1 C -0.140 -11.577 -3.172 1.00 . A A . 5 VAL CG1 1 1 4 1014 1 1 5 VAL CG2 C -0.403 -13.760 -1.969 1.00 . A A . 5 VAL CG2 1 1 4 1015 1 1 5 VAL H H -2.115 -12.598 0.295 1.00 . A A . 5 VAL H 1 1 4 1016 1 1 5 VAL HA H 0.538 -11.656 -0.507 1.00 . A A . 5 VAL HA 1 1 4 1017 1 1 5 VAL HB H -1.895 -12.264 -2.193 1.00 . A A . 5 VAL HB 1 1 4 1018 1 1 5 VAL HG11 H 0.152 -12.295 -3.924 1.00 . A A . 5 VAL HG11 1 1 4 1019 1 1 5 VAL HG12 H -0.820 -10.859 -3.604 1.00 . A A . 5 VAL HG12 1 1 4 1020 1 1 5 VAL HG13 H 0.736 -11.067 -2.802 1.00 . A A . 5 VAL HG13 1 1 4 1021 1 1 5 VAL HG21 H 0.646 -13.819 -1.723 1.00 . A A . 5 VAL HG21 1 1 4 1022 1 1 5 VAL HG22 H -0.980 -14.276 -1.215 1.00 . A A . 5 VAL HG22 1 1 4 1023 1 1 5 VAL HG23 H -0.573 -14.221 -2.931 1.00 . A A . 5 VAL HG23 1 1 4 1024 1 1 5 VAL N N -1.204 -12.259 0.425 1.00 . A A . 5 VAL N 1 1 4 1025 1 1 5 VAL O O -0.190 -9.306 -1.311 1.00 . A A . 5 VAL O 1 1 4 1026 1 1 6 LEU C C -1.644 -7.491 0.338 1.00 . A A . 6 LEU C 1 1 4 1027 1 1 6 LEU CA C -2.631 -8.455 -0.312 1.00 . A A . 6 LEU CA 1 1 4 1028 1 1 6 LEU CB C -3.984 -8.377 0.399 1.00 . A A . 6 LEU CB 1 1 4 1029 1 1 6 LEU CD1 C -6.469 -8.698 0.363 1.00 . A A . 6 LEU CD1 1 1 4 1030 1 1 6 LEU CD2 C -5.359 -7.360 -1.434 1.00 . A A . 6 LEU CD2 1 1 4 1031 1 1 6 LEU CG C -5.218 -8.543 -0.487 1.00 . A A . 6 LEU CG 1 1 4 1032 1 1 6 LEU H H -2.670 -10.525 0.125 1.00 . A A . 6 LEU H 1 1 4 1033 1 1 6 LEU HA H -2.761 -8.175 -1.347 1.00 . A A . 6 LEU HA 1 1 4 1034 1 1 6 LEU HB2 H -4.008 -9.151 1.149 1.00 . A A . 6 LEU HB2 1 1 4 1035 1 1 6 LEU HB3 H -4.048 -7.410 0.879 1.00 . A A . 6 LEU HB3 1 1 4 1036 1 1 6 LEU HD11 H -6.586 -9.734 0.647 1.00 . A A . 6 LEU HD11 1 1 4 1037 1 1 6 LEU HD12 H -7.332 -8.380 -0.203 1.00 . A A . 6 LEU HD12 1 1 4 1038 1 1 6 LEU HD13 H -6.378 -8.090 1.252 1.00 . A A . 6 LEU HD13 1 1 4 1039 1 1 6 LEU HD21 H -5.203 -7.691 -2.450 1.00 . A A . 6 LEU HD21 1 1 4 1040 1 1 6 LEU HD22 H -4.623 -6.609 -1.183 1.00 . A A . 6 LEU HD22 1 1 4 1041 1 1 6 LEU HD23 H -6.350 -6.939 -1.340 1.00 . A A . 6 LEU HD23 1 1 4 1042 1 1 6 LEU HG H -5.108 -9.438 -1.084 1.00 . A A . 6 LEU HG 1 1 4 1043 1 1 6 LEU N N -2.122 -9.822 -0.280 1.00 . A A . 6 LEU N 1 1 4 1044 1 1 6 LEU O O -1.623 -6.302 0.022 1.00 . A A . 6 LEU O 1 1 4 1045 1 1 7 ALA C C 1.162 -6.596 0.956 1.00 . A A . 7 ALA C 1 1 4 1046 1 1 7 ALA CA C 0.165 -7.199 1.939 1.00 . A A . 7 ALA CA 1 1 4 1047 1 1 7 ALA CB C 0.890 -8.031 2.987 1.00 . A A . 7 ALA CB 1 1 4 1048 1 1 7 ALA H H -0.892 -8.968 1.456 1.00 . A A . 7 ALA H 1 1 4 1049 1 1 7 ALA HA H -0.355 -6.399 2.446 1.00 . A A . 7 ALA HA 1 1 4 1050 1 1 7 ALA HB1 H 1.742 -8.516 2.533 1.00 . A A . 7 ALA HB1 1 1 4 1051 1 1 7 ALA HB2 H 1.225 -7.387 3.787 1.00 . A A . 7 ALA HB2 1 1 4 1052 1 1 7 ALA HB3 H 0.218 -8.777 3.383 1.00 . A A . 7 ALA HB3 1 1 4 1053 1 1 7 ALA N N -0.828 -8.012 1.247 1.00 . A A . 7 ALA N 1 1 4 1054 1 1 7 ALA O O 1.736 -5.537 1.209 1.00 . A A . 7 ALA O 1 1 4 1055 1 1 8 LYS C C 1.864 -5.450 -1.732 1.00 . A A . 8 LYS C 1 1 4 1056 1 1 8 LYS CA C 2.294 -6.809 -1.188 1.00 . A A . 8 LYS CA 1 1 4 1057 1 1 8 LYS CB C 2.381 -7.824 -2.331 1.00 . A A . 8 LYS CB 1 1 4 1058 1 1 8 LYS CD C 3.848 -9.137 -3.891 1.00 . A A . 8 LYS CD 1 1 4 1059 1 1 8 LYS CE C 5.248 -9.296 -4.464 1.00 . A A . 8 LYS CE 1 1 4 1060 1 1 8 LYS CG C 3.789 -8.014 -2.870 1.00 . A A . 8 LYS CG 1 1 4 1061 1 1 8 LYS H H 0.879 -8.117 -0.311 1.00 . A A . 8 LYS H 1 1 4 1062 1 1 8 LYS HA H 3.267 -6.709 -0.733 1.00 . A A . 8 LYS HA 1 1 4 1063 1 1 8 LYS HB2 H 2.022 -8.778 -1.976 1.00 . A A . 8 LYS HB2 1 1 4 1064 1 1 8 LYS HB3 H 1.751 -7.489 -3.142 1.00 . A A . 8 LYS HB3 1 1 4 1065 1 1 8 LYS HD2 H 3.560 -10.062 -3.412 1.00 . A A . 8 LYS HD2 1 1 4 1066 1 1 8 LYS HD3 H 3.161 -8.917 -4.695 1.00 . A A . 8 LYS HD3 1 1 4 1067 1 1 8 LYS HE2 H 5.420 -8.509 -5.182 1.00 . A A . 8 LYS HE2 1 1 4 1068 1 1 8 LYS HE3 H 5.963 -9.213 -3.660 1.00 . A A . 8 LYS HE3 1 1 4 1069 1 1 8 LYS HG2 H 4.111 -7.097 -3.341 1.00 . A A . 8 LYS HG2 1 1 4 1070 1 1 8 LYS HG3 H 4.449 -8.251 -2.048 1.00 . A A . 8 LYS HG3 1 1 4 1071 1 1 8 LYS HZ1 H 4.674 -11.270 -4.841 1.00 . A A . 8 LYS HZ1 1 1 4 1072 1 1 8 LYS HZ2 H 6.347 -11.022 -4.884 1.00 . A A . 8 LYS HZ2 1 1 4 1073 1 1 8 LYS HZ3 H 5.380 -10.496 -6.170 1.00 . A A . 8 LYS HZ3 1 1 4 1074 1 1 8 LYS N N 1.366 -7.277 -0.166 1.00 . A A . 8 LYS N 1 1 4 1075 1 1 8 LYS NZ N 5.425 -10.613 -5.137 1.00 . A A . 8 LYS NZ 1 1 4 1076 1 1 8 LYS O O 2.662 -4.730 -2.331 1.00 . A A . 8 LYS O 1 1 4 1077 1 1 9 VAL C C -0.779 -3.162 -0.905 1.00 . A A . 9 VAL C 1 1 4 1078 1 1 9 VAL CA C 0.062 -3.833 -1.985 1.00 . A A . 9 VAL CA 1 1 4 1079 1 1 9 VAL CB C -0.797 -4.015 -3.250 1.00 . A A . 9 VAL CB 1 1 4 1080 1 1 9 VAL CG1 C -1.022 -2.678 -3.940 1.00 . A A . 9 VAL CG1 1 1 4 1081 1 1 9 VAL CG2 C -0.144 -5.010 -4.199 1.00 . A A . 9 VAL CG2 1 1 4 1082 1 1 9 VAL H H 0.011 -5.723 -1.035 1.00 . A A . 9 VAL H 1 1 4 1083 1 1 9 VAL HA H 0.896 -3.190 -2.231 1.00 . A A . 9 VAL HA 1 1 4 1084 1 1 9 VAL HB H -1.758 -4.409 -2.955 1.00 . A A . 9 VAL HB 1 1 4 1085 1 1 9 VAL HG11 H -0.079 -2.160 -4.039 1.00 . A A . 9 VAL HG11 1 1 4 1086 1 1 9 VAL HG12 H -1.447 -2.845 -4.919 1.00 . A A . 9 VAL HG12 1 1 4 1087 1 1 9 VAL HG13 H -1.701 -2.080 -3.349 1.00 . A A . 9 VAL HG13 1 1 4 1088 1 1 9 VAL HG21 H -0.492 -6.006 -3.969 1.00 . A A . 9 VAL HG21 1 1 4 1089 1 1 9 VAL HG22 H -0.406 -4.763 -5.217 1.00 . A A . 9 VAL HG22 1 1 4 1090 1 1 9 VAL HG23 H 0.928 -4.967 -4.083 1.00 . A A . 9 VAL HG23 1 1 4 1091 1 1 9 VAL N N 0.598 -5.107 -1.518 1.00 . A A . 9 VAL N 1 1 4 1092 1 1 9 VAL O O -1.897 -2.718 -1.162 1.00 . A A . 9 VAL O 1 1 4 1093 1 1 10 ALA C C 0.048 -2.051 2.516 1.00 . A A . 10 ALA C 1 1 4 1094 1 1 10 ALA CA C -0.930 -2.470 1.423 1.00 . A A . 10 ALA CA 1 1 4 1095 1 1 10 ALA CB C -1.976 -3.421 1.984 1.00 . A A . 10 ALA CB 1 1 4 1096 1 1 10 ALA H H 0.664 -3.461 0.445 1.00 . A A . 10 ALA H 1 1 4 1097 1 1 10 ALA HA H -1.438 -1.591 1.053 1.00 . A A . 10 ALA HA 1 1 4 1098 1 1 10 ALA HB1 H -2.588 -2.897 2.705 1.00 . A A . 10 ALA HB1 1 1 4 1099 1 1 10 ALA HB2 H -2.599 -3.785 1.180 1.00 . A A . 10 ALA HB2 1 1 4 1100 1 1 10 ALA HB3 H -1.485 -4.253 2.465 1.00 . A A . 10 ALA HB3 1 1 4 1101 1 1 10 ALA N N -0.231 -3.089 0.304 1.00 . A A . 10 ALA N 1 1 4 1102 1 1 10 ALA O O 0.428 -2.895 3.306 1.00 . A A . 10 ALA O 1 1 4 1103 1 1 11 . C C 2.644 0.680 2.736 1.00 . A A . 11 I4G C 1 1 4 1104 1 1 11 . CA C 1.504 -0.028 3.424 1.00 . A A . 11 I4G CA 1 1 4 1105 1 1 11 . CB C -0.025 0.402 1.534 1.00 . A A . 11 I4G CB 1 1 4 1106 1 1 11 . CD1 C -2.008 1.910 0.944 1.00 . A A . 11 I4G CD1 1 1 4 1107 1 1 11 . CD2 C -2.172 0.280 2.866 1.00 . A A . 11 I4G CD2 1 1 4 1108 1 1 11 . CG C -1.227 1.213 2.084 1.00 . A A . 11 I4G CG 1 1 4 1109 1 1 11 . HA2 H 1.874 -0.794 3.950 1.00 . A A . 11 I4G HA2 1 1 4 1110 1 1 11 . HA3 H 1.055 0.616 4.044 1.00 . A A . 11 I4G HA3 1 1 4 1111 1 1 11 . HB2 H -0.300 -0.106 0.718 1.00 . A A . 11 I4G HB2 1 1 4 1112 1 1 11 . HB3 H 0.728 1.019 1.305 1.00 . A A . 11 I4G HB3 1 1 4 1113 1 1 11 . HD11 H -2.867 2.452 1.344 1.00 . A A . 11 I4G HD11 1 1 4 1114 1 1 11 . HD12 H -1.371 2.622 0.419 1.00 . A A . 11 I4G HD12 1 1 4 1115 1 1 11 . HD13 H -2.366 1.173 0.221 1.00 . A A . 11 I4G HD13 1 1 4 1116 1 1 11 . HD21 H -3.012 0.841 3.280 1.00 . A A . 11 I4G HD21 1 1 4 1117 1 1 11 . HD22 H -2.567 -0.504 2.215 1.00 . A A . 11 I4G HD22 1 1 4 1118 1 1 11 . HD23 H -1.642 -0.198 3.693 1.00 . A A . 11 I4G HD23 1 1 4 1119 1 1 11 . HG H -0.859 1.976 2.774 1.00 . A A . 11 I4G HG 1 1 4 1120 1 1 11 . N N 0.472 -0.567 2.520 1.00 . A A . 11 I4G N 1 1 4 1121 1 1 11 . O O 3.174 1.686 3.209 1.00 . A A . 11 I4G O 1 1 4 1122 1 1 12 HIS C C 3.491 1.520 -0.415 1.00 . A A . 12 HIS C 1 1 4 1123 1 1 12 HIS CA C 4.069 0.740 0.762 1.00 . A A . 12 HIS CA 1 1 4 1124 1 1 12 HIS CB C 5.013 -0.350 0.254 1.00 . A A . 12 HIS CB 1 1 4 1125 1 1 12 HIS CD2 C 3.352 -1.604 -1.293 1.00 . A A . 12 HIS CD2 1 1 4 1126 1 1 12 HIS CE1 C 4.628 -1.771 -3.067 1.00 . A A . 12 HIS CE1 1 1 4 1127 1 1 12 HIS CG C 4.535 -1.019 -0.998 1.00 . A A . 12 HIS CG 1 1 4 1128 1 1 12 HIS H H 2.546 -0.649 1.244 1.00 . A A . 12 HIS H 1 1 4 1129 1 1 12 HIS HA H 4.625 1.420 1.390 1.00 . A A . 12 HIS HA 1 1 4 1130 1 1 12 HIS HB2 H 5.979 0.087 0.048 1.00 . A A . 12 HIS HB2 1 1 4 1131 1 1 12 HIS HB3 H 5.120 -1.108 1.015 1.00 . A A . 12 HIS HB3 1 1 4 1132 1 1 12 HIS HD1 H 6.231 -0.813 -2.232 1.00 . A A . 12 HIS HD1 1 1 4 1133 1 1 12 HIS HD2 H 2.498 -1.694 -0.636 1.00 . A A . 12 HIS HD2 1 1 4 1134 1 1 12 HIS HE1 H 4.983 -2.008 -4.059 1.00 . A A . 12 HIS HE1 1 1 4 1135 1 1 12 HIS N N 3.006 0.154 1.569 1.00 . A A . 12 HIS N 1 1 4 1136 1 1 12 HIS ND1 N 5.314 -1.141 -2.130 1.00 . A A . 12 HIS ND1 1 1 4 1137 1 1 12 HIS NE2 N 3.435 -2.064 -2.584 1.00 . A A . 12 HIS NE2 1 1 4 1138 1 1 12 HIS O O 4.149 2.397 -0.975 1.00 . A A . 12 HIS O 1 1 4 1139 1 1 13 VAL C C 1.552 3.372 -1.685 1.00 . A A . 13 VAL C 1 1 4 1140 1 1 13 VAL CA C 1.590 1.862 -1.897 1.00 . A A . 13 VAL CA 1 1 4 1141 1 1 13 VAL CB C 0.152 1.344 -2.082 1.00 . A A . 13 VAL CB 1 1 4 1142 1 1 13 VAL CG1 C -0.573 2.149 -3.150 1.00 . A A . 13 VAL CG1 1 1 4 1143 1 1 13 VAL CG2 C 0.160 -0.136 -2.432 1.00 . A A . 13 VAL CG2 1 1 4 1144 1 1 13 VAL H H 1.784 0.485 -0.301 1.00 . A A . 13 VAL H 1 1 4 1145 1 1 13 VAL HA H 2.147 1.649 -2.798 1.00 . A A . 13 VAL HA 1 1 4 1146 1 1 13 VAL HB H -0.377 1.468 -1.148 1.00 . A A . 13 VAL HB 1 1 4 1147 1 1 13 VAL HG11 H 0.146 2.719 -3.719 1.00 . A A . 13 VAL HG11 1 1 4 1148 1 1 13 VAL HG12 H -1.104 1.478 -3.808 1.00 . A A . 13 VAL HG12 1 1 4 1149 1 1 13 VAL HG13 H -1.273 2.823 -2.680 1.00 . A A . 13 VAL HG13 1 1 4 1150 1 1 13 VAL HG21 H -0.832 -0.541 -2.303 1.00 . A A . 13 VAL HG21 1 1 4 1151 1 1 13 VAL HG22 H 0.468 -0.262 -3.459 1.00 . A A . 13 VAL HG22 1 1 4 1152 1 1 13 VAL HG23 H 0.849 -0.656 -1.783 1.00 . A A . 13 VAL HG23 1 1 4 1153 1 1 13 VAL N N 2.257 1.193 -0.785 1.00 . A A . 13 VAL N 1 1 4 1154 1 1 13 VAL O O 1.887 4.144 -2.583 1.00 . A A . 13 VAL O 1 1 4 1155 1 1 14 VAL C C 2.368 5.919 -0.484 1.00 . A A . 14 VAL C 1 1 4 1156 1 1 14 VAL CA C 1.062 5.204 -0.159 1.00 . A A . 14 VAL CA 1 1 4 1157 1 1 14 VAL CB C 0.729 5.414 1.330 1.00 . A A . 14 VAL CB 1 1 4 1158 1 1 14 VAL CG1 C 0.712 6.898 1.669 1.00 . A A . 14 VAL CG1 1 1 4 1159 1 1 14 VAL CG2 C -0.602 4.764 1.675 1.00 . A A . 14 VAL CG2 1 1 4 1160 1 1 14 VAL H H 0.889 3.122 0.184 1.00 . A A . 14 VAL H 1 1 4 1161 1 1 14 VAL HA H 0.267 5.640 -0.748 1.00 . A A . 14 VAL HA 1 1 4 1162 1 1 14 VAL HB H 1.500 4.942 1.920 1.00 . A A . 14 VAL HB 1 1 4 1163 1 1 14 VAL HG11 H 0.437 7.463 0.791 1.00 . A A . 14 VAL HG11 1 1 4 1164 1 1 14 VAL HG12 H -0.006 7.079 2.455 1.00 . A A . 14 VAL HG12 1 1 4 1165 1 1 14 VAL HG13 H 1.694 7.202 2.000 1.00 . A A . 14 VAL HG13 1 1 4 1166 1 1 14 VAL HG21 H -1.168 5.424 2.316 1.00 . A A . 14 VAL HG21 1 1 4 1167 1 1 14 VAL HG22 H -1.159 4.579 0.768 1.00 . A A . 14 VAL HG22 1 1 4 1168 1 1 14 VAL HG23 H -0.425 3.831 2.186 1.00 . A A . 14 VAL HG23 1 1 4 1169 1 1 14 VAL N N 1.142 3.787 -0.491 1.00 . A A . 14 VAL N 1 1 4 1170 1 1 14 VAL O O 2.372 6.960 -1.139 1.00 . A A . 14 VAL O 1 1 4 1171 1 1 15 GLY C C 5.046 6.151 -1.748 1.00 . A A . 15 GLY C 1 1 4 1172 1 1 15 GLY CA C 4.777 5.949 -0.270 1.00 . A A . 15 GLY CA 1 1 4 1173 1 1 15 GLY H H 3.414 4.523 0.498 1.00 . A A . 15 GLY H 1 1 4 1174 1 1 15 GLY HA2 H 4.823 6.907 0.228 1.00 . A A . 15 GLY HA2 1 1 4 1175 1 1 15 GLY HA3 H 5.541 5.305 0.139 1.00 . A A . 15 GLY HA3 1 1 4 1176 1 1 15 GLY N N 3.478 5.353 -0.019 1.00 . A A . 15 GLY N 1 1 4 1177 1 1 15 GLY O O 5.856 6.996 -2.128 1.00 . A A . 15 GLY O 1 1 4 1178 1 1 16 ALA C C 3.554 6.468 -4.630 1.00 . A A . 16 ALA C 1 1 4 1179 1 1 16 ALA CA C 4.537 5.470 -4.027 1.00 . A A . 16 ALA CA 1 1 4 1180 1 1 16 ALA CB C 4.366 4.103 -4.673 1.00 . A A . 16 ALA CB 1 1 4 1181 1 1 16 ALA H H 3.734 4.718 -2.220 1.00 . A A . 16 ALA H 1 1 4 1182 1 1 16 ALA HA H 5.544 5.809 -4.222 1.00 . A A . 16 ALA HA 1 1 4 1183 1 1 16 ALA HB1 H 3.553 3.578 -4.191 1.00 . A A . 16 ALA HB1 1 1 4 1184 1 1 16 ALA HB2 H 4.143 4.225 -5.722 1.00 . A A . 16 ALA HB2 1 1 4 1185 1 1 16 ALA HB3 H 5.277 3.536 -4.561 1.00 . A A . 16 ALA HB3 1 1 4 1186 1 1 16 ALA N N 4.366 5.373 -2.583 1.00 . A A . 16 ALA N 1 1 4 1187 1 1 16 ALA O O 3.951 7.396 -5.335 1.00 . A A . 16 ALA O 1 1 4 1188 1 1 17 ILE C C 1.498 8.604 -4.471 1.00 . A A . 17 ILE C 1 1 4 1189 1 1 17 ILE CA C 1.231 7.155 -4.863 1.00 . A A . 17 ILE CA 1 1 4 1190 1 1 17 ILE CB C -0.162 6.745 -4.350 1.00 . A A . 17 ILE CB 1 1 4 1191 1 1 17 ILE CD1 C -1.845 4.836 -4.320 1.00 . A A . 17 ILE CD1 1 1 4 1192 1 1 17 ILE CG1 C -0.484 5.311 -4.778 1.00 . A A . 17 ILE CG1 1 1 4 1193 1 1 17 ILE CG2 C -1.220 7.708 -4.865 1.00 . A A . 17 ILE CG2 1 1 4 1194 1 1 17 ILE H H 2.017 5.514 -3.781 1.00 . A A . 17 ILE H 1 1 4 1195 1 1 17 ILE HA H 1.234 7.079 -5.942 1.00 . A A . 17 ILE HA 1 1 4 1196 1 1 17 ILE HB H -0.154 6.798 -3.272 1.00 . A A . 17 ILE HB 1 1 4 1197 1 1 17 ILE HD11 H -1.988 3.808 -4.619 1.00 . A A . 17 ILE HD11 1 1 4 1198 1 1 17 ILE HD12 H -1.910 4.910 -3.244 1.00 . A A . 17 ILE HD12 1 1 4 1199 1 1 17 ILE HD13 H -2.611 5.451 -4.769 1.00 . A A . 17 ILE HD13 1 1 4 1200 1 1 17 ILE HG12 H -0.457 5.249 -5.854 1.00 . A A . 17 ILE HG12 1 1 4 1201 1 1 17 ILE HG13 H 0.258 4.644 -4.364 1.00 . A A . 17 ILE HG13 1 1 4 1202 1 1 17 ILE HG21 H -0.999 8.705 -4.517 1.00 . A A . 17 ILE HG21 1 1 4 1203 1 1 17 ILE HG22 H -1.222 7.696 -5.945 1.00 . A A . 17 ILE HG22 1 1 4 1204 1 1 17 ILE HG23 H -2.190 7.406 -4.501 1.00 . A A . 17 ILE HG23 1 1 4 1205 1 1 17 ILE N N 2.270 6.272 -4.348 1.00 . A A . 17 ILE N 1 1 4 1206 1 1 17 ILE O O 1.222 9.527 -5.237 1.00 . A A . 17 ILE O 1 1 4 1207 1 1 18 ALA C C 3.570 10.711 -3.486 1.00 . A A . 18 ALA C 1 1 4 1208 1 1 18 ALA CA C 2.348 10.133 -2.779 1.00 . A A . 18 ALA CA 1 1 4 1209 1 1 18 ALA CB C 2.572 10.102 -1.275 1.00 . A A . 18 ALA CB 1 1 4 1210 1 1 18 ALA H H 2.237 8.021 -2.707 1.00 . A A . 18 ALA H 1 1 4 1211 1 1 18 ALA HA H 1.496 10.767 -2.979 1.00 . A A . 18 ALA HA 1 1 4 1212 1 1 18 ALA HB1 H 1.926 9.358 -0.831 1.00 . A A . 18 ALA HB1 1 1 4 1213 1 1 18 ALA HB2 H 3.602 9.854 -1.069 1.00 . A A . 18 ALA HB2 1 1 4 1214 1 1 18 ALA HB3 H 2.344 11.071 -0.857 1.00 . A A . 18 ALA HB3 1 1 4 1215 1 1 18 ALA N N 2.040 8.796 -3.272 1.00 . A A . 18 ALA N 1 1 4 1216 1 1 18 ALA O O 3.835 11.910 -3.407 1.00 . A A . 18 ALA O 1 1 4 1217 1 1 19 GLU C C 5.136 11.077 -6.139 1.00 . A A . 19 GLU C 1 1 4 1218 1 1 19 GLU CA C 5.506 10.275 -4.894 1.00 . A A . 19 GLU CA 1 1 4 1219 1 1 19 GLU CB C 6.351 9.061 -5.289 1.00 . A A . 19 GLU CB 1 1 4 1220 1 1 19 GLU CD C 8.511 8.539 -6.490 1.00 . A A . 19 GLU CD 1 1 4 1221 1 1 19 GLU CG C 7.834 9.368 -5.415 1.00 . A A . 19 GLU CG 1 1 4 1222 1 1 19 GLU H H 4.049 8.905 -4.200 1.00 . A A . 19 GLU H 1 1 4 1223 1 1 19 GLU HA H 6.084 10.905 -4.233 1.00 . A A . 19 GLU HA 1 1 4 1224 1 1 19 GLU HB2 H 6.225 8.292 -4.540 1.00 . A A . 19 GLU HB2 1 1 4 1225 1 1 19 GLU HB3 H 6.000 8.688 -6.238 1.00 . A A . 19 GLU HB3 1 1 4 1226 1 1 19 GLU HG2 H 7.954 10.412 -5.660 1.00 . A A . 19 GLU HG2 1 1 4 1227 1 1 19 GLU HG3 H 8.313 9.163 -4.469 1.00 . A A . 19 GLU HG3 1 1 4 1228 1 1 19 GLU N N 4.311 9.849 -4.175 1.00 . A A . 19 GLU N 1 1 4 1229 1 1 19 GLU O O 5.664 12.165 -6.369 1.00 . A A . 19 GLU O 1 1 4 1230 1 1 19 GLU OE1 O 8.083 7.386 -6.709 1.00 . A A . 19 GLU OE1 1 1 4 1231 1 1 19 GLU OE2 O 9.469 9.044 -7.113 1.00 . A A . 19 GLU OE2 1 1 4 1232 1 1 20 HIS C C 2.785 12.303 -7.844 1.00 . A A . 20 HIS C 1 1 4 1233 1 1 20 HIS CA C 3.783 11.194 -8.159 1.00 . A A . 20 HIS CA 1 1 4 1234 1 1 20 HIS CB C 3.153 10.181 -9.115 1.00 . A A . 20 HIS CB 1 1 4 1235 1 1 20 HIS CD2 C 1.061 9.050 -8.079 1.00 . A A . 20 HIS CD2 1 1 4 1236 1 1 20 HIS CE1 C -0.478 10.266 -9.057 1.00 . A A . 20 HIS CE1 1 1 4 1237 1 1 20 HIS CG C 1.693 9.950 -8.867 1.00 . A A . 20 HIS CG 1 1 4 1238 1 1 20 HIS H H 3.841 9.661 -6.699 1.00 . A A . 20 HIS H 1 1 4 1239 1 1 20 HIS HA H 4.650 11.630 -8.632 1.00 . A A . 20 HIS HA 1 1 4 1240 1 1 20 HIS HB2 H 3.265 10.535 -10.129 1.00 . A A . 20 HIS HB2 1 1 4 1241 1 1 20 HIS HB3 H 3.661 9.233 -9.012 1.00 . A A . 20 HIS HB3 1 1 4 1242 1 1 20 HIS HD1 H 0.842 11.433 -10.097 1.00 . A A . 20 HIS HD1 1 1 4 1243 1 1 20 HIS HD2 H 1.530 8.299 -7.457 1.00 . A A . 20 HIS HD2 1 1 4 1244 1 1 20 HIS HE1 H -1.436 10.663 -9.360 1.00 . A A . 20 HIS HE1 1 1 4 1245 1 1 20 HIS N N 4.226 10.530 -6.938 1.00 . A A . 20 HIS N 1 1 4 1246 1 1 20 HIS ND1 N 0.701 10.696 -9.466 1.00 . A A . 20 HIS ND1 1 1 4 1247 1 1 20 HIS NE2 N -0.288 9.267 -8.214 1.00 . A A . 20 HIS NE2 1 1 4 1248 1 1 20 HIS O O 2.620 13.243 -8.622 1.00 . A A . 20 HIS O 1 1 4 1249 1 1 21 PHE C C 1.719 14.108 -5.217 1.00 . A A . 21 PHE C 1 1 4 1250 1 1 21 PHE CA C 1.138 13.180 -6.281 1.00 . A A . 21 PHE CA 1 1 4 1251 1 1 21 PHE CB C -0.117 12.491 -5.743 1.00 . A A . 21 PHE CB 1 1 4 1252 1 1 21 PHE CD1 C -1.706 13.154 -7.569 1.00 . A A . 21 PHE CD1 1 1 4 1253 1 1 21 PHE CD2 C -2.291 13.671 -5.317 1.00 . A A . 21 PHE CD2 1 1 4 1254 1 1 21 PHE CE1 C -2.881 13.731 -8.010 1.00 . A A . 21 PHE CE1 1 1 4 1255 1 1 21 PHE CE2 C -3.469 14.248 -5.752 1.00 . A A . 21 PHE CE2 1 1 4 1256 1 1 21 PHE CG C -1.397 13.118 -6.219 1.00 . A A . 21 PHE CG 1 1 4 1257 1 1 21 PHE CZ C -3.765 14.278 -7.100 1.00 . A A . 21 PHE CZ 1 1 4 1258 1 1 21 PHE H H 2.297 11.415 -6.120 1.00 . A A . 21 PHE H 1 1 4 1259 1 1 21 PHE HA H 0.873 13.768 -7.147 1.00 . A A . 21 PHE HA 1 1 4 1260 1 1 21 PHE HB2 H -0.117 11.459 -6.060 1.00 . A A . 21 PHE HB2 1 1 4 1261 1 1 21 PHE HB3 H -0.108 12.531 -4.665 1.00 . A A . 21 PHE HB3 1 1 4 1262 1 1 21 PHE HD1 H -1.016 12.726 -8.283 1.00 . A A . 21 PHE HD1 1 1 4 1263 1 1 21 PHE HD2 H -2.060 13.648 -4.261 1.00 . A A . 21 PHE HD2 1 1 4 1264 1 1 21 PHE HE1 H -3.110 13.752 -9.065 1.00 . A A . 21 PHE HE1 1 1 4 1265 1 1 21 PHE HE2 H -4.157 14.675 -5.037 1.00 . A A . 21 PHE HE2 1 1 4 1266 1 1 21 PHE HZ H -4.683 14.730 -7.441 1.00 . A A . 21 PHE HZ 1 1 4 1267 1 1 21 PHE N N 2.121 12.188 -6.699 1.00 . A A . 21 PHE N 1 1 4 1268 1 1 21 PHE O O 1.013 14.699 -4.436 1.00 . A A . 21 PHE O 1 1 4 1269 1 1 22 NH2 HN1 H 3.733 13.701 -5.896 1.00 . A A . 22 NH2 HN1 1 1 4 1270 1 1 22 NH2 HN2 H 3.658 14.833 -4.513 1.00 . A A . 22 NH2 HN2 1 1 4 1271 1 1 22 NH2 N N 3.230 14.240 -5.198 1.00 . A A . 22 NH2 N 1 1 4 1272 2 2 1 UNX UNK . -13.221 0.514 -12.533 1.00 . B A . 100 UNX UNK 1 1 5 1273 1 1 1 GLY C C -3.831 -16.199 0.435 1.00 . A A . 1 GLY C 1 1 5 1274 1 1 1 GLY CA C -3.491 -17.399 1.296 1.00 . A A . 1 GLY CA 1 1 5 1275 1 1 1 GLY H1 H -3.638 -17.874 3.324 1.00 . A A . 1 GLY H1 1 1 5 1276 1 1 1 GLY H2 H -4.221 -16.389 2.972 1.00 . A A . 1 GLY H2 1 1 5 1277 1 1 1 GLY H3 H -4.990 -17.637 2.773 1.00 . A A . 1 GLY H3 1 1 5 1278 1 1 1 GLY HA2 H -2.418 -17.468 1.392 1.00 . A A . 1 GLY HA2 1 1 5 1279 1 1 1 GLY HA3 H -3.857 -18.292 0.810 1.00 . A A . 1 GLY HA3 1 1 5 1280 1 1 1 GLY N N -4.077 -17.315 2.621 1.00 . A A . 1 GLY N 1 1 5 1281 1 1 1 GLY O O -2.999 -15.726 -0.340 1.00 . A A . 1 GLY O 1 1 5 1282 1 1 2 LEU C C -4.894 -13.265 0.332 1.00 . A A . 2 LEU C 1 1 5 1283 1 1 2 LEU CA C -5.506 -14.553 -0.206 1.00 . A A . 2 LEU CA 1 1 5 1284 1 1 2 LEU CB C -7.033 -14.458 -0.175 1.00 . A A . 2 LEU CB 1 1 5 1285 1 1 2 LEU CD1 C -8.082 -16.184 -1.659 1.00 . A A . 2 LEU CD1 1 1 5 1286 1 1 2 LEU CD2 C -9.008 -13.861 -1.599 1.00 . A A . 2 LEU CD2 1 1 5 1287 1 1 2 LEU CG C -7.748 -14.708 -1.504 1.00 . A A . 2 LEU CG 1 1 5 1288 1 1 2 LEU H H -5.676 -16.125 1.201 1.00 . A A . 2 LEU H 1 1 5 1289 1 1 2 LEU HA H -5.183 -14.694 -1.227 1.00 . A A . 2 LEU HA 1 1 5 1290 1 1 2 LEU HB2 H -7.395 -15.183 0.537 1.00 . A A . 2 LEU HB2 1 1 5 1291 1 1 2 LEU HB3 H -7.294 -13.464 0.160 1.00 . A A . 2 LEU HB3 1 1 5 1292 1 1 2 LEU HD11 H -7.903 -16.694 -0.725 1.00 . A A . 2 LEU HD11 1 1 5 1293 1 1 2 LEU HD12 H -7.461 -16.614 -2.430 1.00 . A A . 2 LEU HD12 1 1 5 1294 1 1 2 LEU HD13 H -9.122 -16.290 -1.935 1.00 . A A . 2 LEU HD13 1 1 5 1295 1 1 2 LEU HD21 H -9.843 -14.411 -1.191 1.00 . A A . 2 LEU HD21 1 1 5 1296 1 1 2 LEU HD22 H -9.205 -13.625 -2.635 1.00 . A A . 2 LEU HD22 1 1 5 1297 1 1 2 LEU HD23 H -8.870 -12.947 -1.041 1.00 . A A . 2 LEU HD23 1 1 5 1298 1 1 2 LEU HG H -7.093 -14.428 -2.317 1.00 . A A . 2 LEU HG 1 1 5 1299 1 1 2 LEU N N -5.057 -15.706 0.568 1.00 . A A . 2 LEU N 1 1 5 1300 1 1 2 LEU O O -4.045 -12.651 -0.316 1.00 . A A . 2 LEU O 1 1 5 1301 1 1 3 PHE C C -3.308 -11.713 2.323 1.00 . A A . 3 PHE C 1 1 5 1302 1 1 3 PHE CA C -4.822 -11.643 2.146 1.00 . A A . 3 PHE CA 1 1 5 1303 1 1 3 PHE CB C -5.496 -11.423 3.501 1.00 . A A . 3 PHE CB 1 1 5 1304 1 1 3 PHE CD1 C -7.533 -10.016 3.091 1.00 . A A . 3 PHE CD1 1 1 5 1305 1 1 3 PHE CD2 C -5.666 -9.014 4.184 1.00 . A A . 3 PHE CD2 1 1 5 1306 1 1 3 PHE CE1 C -8.226 -8.824 3.174 1.00 . A A . 3 PHE CE1 1 1 5 1307 1 1 3 PHE CE2 C -6.353 -7.819 4.270 1.00 . A A . 3 PHE CE2 1 1 5 1308 1 1 3 PHE CG C -6.246 -10.126 3.594 1.00 . A A . 3 PHE CG 1 1 5 1309 1 1 3 PHE CZ C -7.636 -7.723 3.766 1.00 . A A . 3 PHE CZ 1 1 5 1310 1 1 3 PHE H H -6.007 -13.391 1.988 1.00 . A A . 3 PHE H 1 1 5 1311 1 1 3 PHE HA H -5.058 -10.814 1.497 1.00 . A A . 3 PHE HA 1 1 5 1312 1 1 3 PHE HB2 H -6.198 -12.224 3.681 1.00 . A A . 3 PHE HB2 1 1 5 1313 1 1 3 PHE HB3 H -4.743 -11.428 4.275 1.00 . A A . 3 PHE HB3 1 1 5 1314 1 1 3 PHE HD1 H -7.997 -10.876 2.629 1.00 . A A . 3 PHE HD1 1 1 5 1315 1 1 3 PHE HD2 H -4.663 -9.088 4.579 1.00 . A A . 3 PHE HD2 1 1 5 1316 1 1 3 PHE HE1 H -9.228 -8.751 2.779 1.00 . A A . 3 PHE HE1 1 1 5 1317 1 1 3 PHE HE2 H -5.889 -6.961 4.734 1.00 . A A . 3 PHE HE2 1 1 5 1318 1 1 3 PHE HZ H -8.175 -6.790 3.831 1.00 . A A . 3 PHE HZ 1 1 5 1319 1 1 3 PHE N N -5.328 -12.859 1.520 1.00 . A A . 3 PHE N 1 1 5 1320 1 1 3 PHE O O -2.624 -10.689 2.324 1.00 . A A . 3 PHE O 1 1 5 1321 1 1 4 GLY C C -0.552 -12.404 1.584 1.00 . A A . 4 GLY C 1 1 5 1322 1 1 4 GLY CA C -1.362 -13.110 2.651 1.00 . A A . 4 GLY CA 1 1 5 1323 1 1 4 GLY H H -3.385 -13.708 2.465 1.00 . A A . 4 GLY H 1 1 5 1324 1 1 4 GLY HA2 H -1.079 -12.724 3.619 1.00 . A A . 4 GLY HA2 1 1 5 1325 1 1 4 GLY HA3 H -1.139 -14.167 2.617 1.00 . A A . 4 GLY HA3 1 1 5 1326 1 1 4 GLY N N -2.792 -12.929 2.474 1.00 . A A . 4 GLY N 1 1 5 1327 1 1 4 GLY O O 0.588 -12.003 1.823 1.00 . A A . 4 GLY O 1 1 5 1328 1 1 5 VAL C C -0.876 -10.123 -0.808 1.00 . A A . 5 VAL C 1 1 5 1329 1 1 5 VAL CA C -0.463 -11.588 -0.709 1.00 . A A . 5 VAL CA 1 1 5 1330 1 1 5 VAL CB C -0.764 -12.286 -2.047 1.00 . A A . 5 VAL CB 1 1 5 1331 1 1 5 VAL CG1 C -0.079 -11.561 -3.195 1.00 . A A . 5 VAL CG1 1 1 5 1332 1 1 5 VAL CG2 C -0.334 -13.744 -1.996 1.00 . A A . 5 VAL CG2 1 1 5 1333 1 1 5 VAL H H -2.048 -12.591 0.271 1.00 . A A . 5 VAL H 1 1 5 1334 1 1 5 VAL HA H 0.602 -11.641 -0.530 1.00 . A A . 5 VAL HA 1 1 5 1335 1 1 5 VAL HB H -1.831 -12.254 -2.215 1.00 . A A . 5 VAL HB 1 1 5 1336 1 1 5 VAL HG11 H 0.172 -12.269 -3.971 1.00 . A A . 5 VAL HG11 1 1 5 1337 1 1 5 VAL HG12 H -0.746 -10.809 -3.595 1.00 . A A . 5 VAL HG12 1 1 5 1338 1 1 5 VAL HG13 H 0.822 -11.087 -2.835 1.00 . A A . 5 VAL HG13 1 1 5 1339 1 1 5 VAL HG21 H 0.691 -13.805 -1.663 1.00 . A A . 5 VAL HG21 1 1 5 1340 1 1 5 VAL HG22 H -0.969 -14.284 -1.308 1.00 . A A . 5 VAL HG22 1 1 5 1341 1 1 5 VAL HG23 H -0.419 -14.180 -2.980 1.00 . A A . 5 VAL HG23 1 1 5 1342 1 1 5 VAL N N -1.138 -12.251 0.401 1.00 . A A . 5 VAL N 1 1 5 1343 1 1 5 VAL O O -0.131 -9.291 -1.328 1.00 . A A . 5 VAL O 1 1 5 1344 1 1 6 LEU C C -1.595 -7.484 0.322 1.00 . A A . 6 LEU C 1 1 5 1345 1 1 6 LEU CA C -2.577 -8.450 -0.334 1.00 . A A . 6 LEU CA 1 1 5 1346 1 1 6 LEU CB C -3.932 -8.376 0.374 1.00 . A A . 6 LEU CB 1 1 5 1347 1 1 6 LEU CD1 C -6.402 -8.803 0.333 1.00 . A A . 6 LEU CD1 1 1 5 1348 1 1 6 LEU CD2 C -5.360 -7.336 -1.404 1.00 . A A . 6 LEU CD2 1 1 5 1349 1 1 6 LEU CG C -5.163 -8.554 -0.514 1.00 . A A . 6 LEU CG 1 1 5 1350 1 1 6 LEU H H -2.612 -10.520 0.099 1.00 . A A . 6 LEU H 1 1 5 1351 1 1 6 LEU HA H -2.705 -8.167 -1.368 1.00 . A A . 6 LEU HA 1 1 5 1352 1 1 6 LEU HB2 H -3.953 -9.148 1.128 1.00 . A A . 6 LEU HB2 1 1 5 1353 1 1 6 LEU HB3 H -4.003 -7.409 0.850 1.00 . A A . 6 LEU HB3 1 1 5 1354 1 1 6 LEU HD11 H -6.237 -8.423 1.331 1.00 . A A . 6 LEU HD11 1 1 5 1355 1 1 6 LEU HD12 H -6.599 -9.863 0.380 1.00 . A A . 6 LEU HD12 1 1 5 1356 1 1 6 LEU HD13 H -7.248 -8.299 -0.109 1.00 . A A . 6 LEU HD13 1 1 5 1357 1 1 6 LEU HD21 H -4.851 -7.491 -2.344 1.00 . A A . 6 LEU HD21 1 1 5 1358 1 1 6 LEU HD22 H -4.954 -6.462 -0.914 1.00 . A A . 6 LEU HD22 1 1 5 1359 1 1 6 LEU HD23 H -6.414 -7.189 -1.586 1.00 . A A . 6 LEU HD23 1 1 5 1360 1 1 6 LEU HG H -5.018 -9.415 -1.152 1.00 . A A . 6 LEU HG 1 1 5 1361 1 1 6 LEU N N -2.064 -9.815 -0.303 1.00 . A A . 6 LEU N 1 1 5 1362 1 1 6 LEU O O -1.578 -6.294 0.010 1.00 . A A . 6 LEU O 1 1 5 1363 1 1 7 ALA C C 1.209 -6.583 0.948 1.00 . A A . 7 ALA C 1 1 5 1364 1 1 7 ALA CA C 0.210 -7.192 1.927 1.00 . A A . 7 ALA CA 1 1 5 1365 1 1 7 ALA CB C 0.935 -8.023 2.975 1.00 . A A . 7 ALA CB 1 1 5 1366 1 1 7 ALA H H -0.840 -8.962 1.436 1.00 . A A . 7 ALA H 1 1 5 1367 1 1 7 ALA HA H -0.313 -6.394 2.434 1.00 . A A . 7 ALA HA 1 1 5 1368 1 1 7 ALA HB1 H 0.214 -8.593 3.543 1.00 . A A . 7 ALA HB1 1 1 5 1369 1 1 7 ALA HB2 H 1.624 -8.697 2.487 1.00 . A A . 7 ALA HB2 1 1 5 1370 1 1 7 ALA HB3 H 1.481 -7.370 3.639 1.00 . A A . 7 ALA HB3 1 1 5 1371 1 1 7 ALA N N -0.778 -8.006 1.230 1.00 . A A . 7 ALA N 1 1 5 1372 1 1 7 ALA O O 1.779 -5.524 1.206 1.00 . A A . 7 ALA O 1 1 5 1373 1 1 8 LYS C C 1.913 -5.432 -1.739 1.00 . A A . 8 LYS C 1 1 5 1374 1 1 8 LYS CA C 2.346 -6.788 -1.194 1.00 . A A . 8 LYS CA 1 1 5 1375 1 1 8 LYS CB C 2.442 -7.802 -2.337 1.00 . A A . 8 LYS CB 1 1 5 1376 1 1 8 LYS CD C 3.939 -9.173 -3.817 1.00 . A A . 8 LYS CD 1 1 5 1377 1 1 8 LYS CE C 4.162 -10.475 -3.064 1.00 . A A . 8 LYS CE 1 1 5 1378 1 1 8 LYS CG C 3.853 -7.990 -2.868 1.00 . A A . 8 LYS CG 1 1 5 1379 1 1 8 LYS H H 0.932 -8.101 -0.324 1.00 . A A . 8 LYS H 1 1 5 1380 1 1 8 LYS HA H 3.317 -6.685 -0.735 1.00 . A A . 8 LYS HA 1 1 5 1381 1 1 8 LYS HB2 H 2.082 -8.758 -1.986 1.00 . A A . 8 LYS HB2 1 1 5 1382 1 1 8 LYS HB3 H 1.815 -7.468 -3.151 1.00 . A A . 8 LYS HB3 1 1 5 1383 1 1 8 LYS HD2 H 3.017 -9.245 -4.373 1.00 . A A . 8 LYS HD2 1 1 5 1384 1 1 8 LYS HD3 H 4.762 -9.016 -4.500 1.00 . A A . 8 LYS HD3 1 1 5 1385 1 1 8 LYS HE2 H 3.446 -10.539 -2.260 1.00 . A A . 8 LYS HE2 1 1 5 1386 1 1 8 LYS HE3 H 4.011 -11.300 -3.745 1.00 . A A . 8 LYS HE3 1 1 5 1387 1 1 8 LYS HG2 H 4.151 -7.095 -3.396 1.00 . A A . 8 LYS HG2 1 1 5 1388 1 1 8 LYS HG3 H 4.522 -8.157 -2.036 1.00 . A A . 8 LYS HG3 1 1 5 1389 1 1 8 LYS HZ1 H 5.834 -11.556 -2.432 1.00 . A A . 8 LYS HZ1 1 1 5 1390 1 1 8 LYS HZ2 H 5.558 -10.141 -1.548 1.00 . A A . 8 LYS HZ2 1 1 5 1391 1 1 8 LYS HZ3 H 6.207 -10.049 -3.108 1.00 . A A . 8 LYS HZ3 1 1 5 1392 1 1 8 LYS N N 1.417 -7.262 -0.176 1.00 . A A . 8 LYS N 1 1 5 1393 1 1 8 LYS NZ N 5.537 -10.560 -2.498 1.00 . A A . 8 LYS NZ 1 1 5 1394 1 1 8 LYS O O 2.708 -4.709 -2.338 1.00 . A A . 8 LYS O 1 1 5 1395 1 1 9 VAL C C -0.738 -3.151 -0.914 1.00 . A A . 9 VAL C 1 1 5 1396 1 1 9 VAL CA C 0.106 -3.819 -1.993 1.00 . A A . 9 VAL CA 1 1 5 1397 1 1 9 VAL CB C -0.750 -4.005 -3.259 1.00 . A A . 9 VAL CB 1 1 5 1398 1 1 9 VAL CG1 C -0.981 -2.669 -3.949 1.00 . A A . 9 VAL CG1 1 1 5 1399 1 1 9 VAL CG2 C -0.094 -4.997 -4.206 1.00 . A A . 9 VAL CG2 1 1 5 1400 1 1 9 VAL H H 0.059 -5.709 -1.042 1.00 . A A . 9 VAL H 1 1 5 1401 1 1 9 VAL HA H 0.937 -3.174 -2.237 1.00 . A A . 9 VAL HA 1 1 5 1402 1 1 9 VAL HB H -1.711 -4.403 -2.965 1.00 . A A . 9 VAL HB 1 1 5 1403 1 1 9 VAL HG11 H -0.039 -2.148 -4.048 1.00 . A A . 9 VAL HG11 1 1 5 1404 1 1 9 VAL HG12 H -1.405 -2.836 -4.928 1.00 . A A . 9 VAL HG12 1 1 5 1405 1 1 9 VAL HG13 H -1.660 -2.072 -3.359 1.00 . A A . 9 VAL HG13 1 1 5 1406 1 1 9 VAL HG21 H -0.407 -4.789 -5.218 1.00 . A A . 9 VAL HG21 1 1 5 1407 1 1 9 VAL HG22 H 0.980 -4.905 -4.135 1.00 . A A . 9 VAL HG22 1 1 5 1408 1 1 9 VAL HG23 H -0.387 -6.001 -3.937 1.00 . A A . 9 VAL HG23 1 1 5 1409 1 1 9 VAL N N 0.646 -5.091 -1.525 1.00 . A A . 9 VAL N 1 1 5 1410 1 1 9 VAL O O -1.859 -2.712 -1.172 1.00 . A A . 9 VAL O 1 1 5 1411 1 1 10 ALA C C 0.079 -2.038 2.509 1.00 . A A . 10 ALA C 1 1 5 1412 1 1 10 ALA CA C -0.896 -2.460 1.414 1.00 . A A . 10 ALA CA 1 1 5 1413 1 1 10 ALA CB C -1.939 -3.414 1.973 1.00 . A A . 10 ALA CB 1 1 5 1414 1 1 10 ALA H H 0.704 -3.445 0.439 1.00 . A A . 10 ALA H 1 1 5 1415 1 1 10 ALA HA H -1.406 -1.582 1.044 1.00 . A A . 10 ALA HA 1 1 5 1416 1 1 10 ALA HB1 H -2.308 -4.049 1.179 1.00 . A A . 10 ALA HB1 1 1 5 1417 1 1 10 ALA HB2 H -1.494 -4.024 2.744 1.00 . A A . 10 ALA HB2 1 1 5 1418 1 1 10 ALA HB3 H -2.759 -2.848 2.390 1.00 . A A . 10 ALA HB3 1 1 5 1419 1 1 10 ALA N N -0.193 -3.077 0.295 1.00 . A A . 10 ALA N 1 1 5 1420 1 1 10 ALA O O 0.461 -2.880 3.298 1.00 . A A . 10 ALA O 1 1 5 1421 1 1 11 . C C 2.666 0.702 2.732 1.00 . A A . 11 I4G C 1 1 5 1422 1 1 11 . CA C 1.527 -0.010 3.419 1.00 . A A . 11 I4G CA 1 1 5 1423 1 1 11 . CB C -0.001 0.415 1.527 1.00 . A A . 11 I4G CB 1 1 5 1424 1 1 11 . CD1 C -1.992 1.912 0.934 1.00 . A A . 11 I4G CD1 1 1 5 1425 1 1 11 . CD2 C -2.148 0.285 2.860 1.00 . A A . 11 I4G CD2 1 1 5 1426 1 1 11 . CG C -1.207 1.221 2.075 1.00 . A A . 11 I4G CG 1 1 5 1427 1 1 11 . HA2 H 1.899 -0.774 3.946 1.00 . A A . 11 I4G HA2 1 1 5 1428 1 1 11 . HA3 H 1.075 0.633 4.038 1.00 . A A . 11 I4G HA3 1 1 5 1429 1 1 11 . HB2 H -0.272 -0.094 0.710 1.00 . A A . 11 I4G HB2 1 1 5 1430 1 1 11 . HB3 H 0.750 1.035 1.301 1.00 . A A . 11 I4G HB3 1 1 5 1431 1 1 11 . HD11 H -2.853 2.450 1.333 1.00 . A A . 11 I4G HD11 1 1 5 1432 1 1 11 . HD12 H -1.359 2.626 0.407 1.00 . A A . 11 I4G HD12 1 1 5 1433 1 1 11 . HD13 H -2.347 1.171 0.212 1.00 . A A . 11 I4G HD13 1 1 5 1434 1 1 11 . HD21 H -2.990 0.843 3.272 1.00 . A A . 11 I4G HD21 1 1 5 1435 1 1 11 . HD22 H -2.539 -0.502 2.210 1.00 . A A . 11 I4G HD22 1 1 5 1436 1 1 11 . HD23 H -1.614 -0.188 3.688 1.00 . A A . 11 I4G HD23 1 1 5 1437 1 1 11 . HG H -0.844 1.989 2.763 1.00 . A A . 11 I4G HG 1 1 5 1438 1 1 11 . N N 0.499 -0.553 2.513 1.00 . A A . 11 I4G N 1 1 5 1439 1 1 11 . O O 3.193 1.708 3.207 1.00 . A A . 11 I4G O 1 1 5 1440 1 1 12 HIS C C 3.515 1.544 -0.418 1.00 . A A . 12 HIS C 1 1 5 1441 1 1 12 HIS CA C 4.094 0.767 0.761 1.00 . A A . 12 HIS CA 1 1 5 1442 1 1 12 HIS CB C 5.042 -0.320 0.254 1.00 . A A . 12 HIS CB 1 1 5 1443 1 1 12 HIS CD2 C 3.386 -1.579 -1.296 1.00 . A A . 12 HIS CD2 1 1 5 1444 1 1 12 HIS CE1 C 4.668 -1.747 -3.066 1.00 . A A . 12 HIS CE1 1 1 5 1445 1 1 12 HIS CG C 4.568 -0.991 -0.999 1.00 . A A . 12 HIS CG 1 1 5 1446 1 1 12 HIS H H 2.573 -0.626 1.241 1.00 . A A . 12 HIS H 1 1 5 1447 1 1 12 HIS HA H 4.646 1.449 1.389 1.00 . A A . 12 HIS HA 1 1 5 1448 1 1 12 HIS HB2 H 6.007 0.120 0.050 1.00 . A A . 12 HIS HB2 1 1 5 1449 1 1 12 HIS HB3 H 5.150 -1.078 1.016 1.00 . A A . 12 HIS HB3 1 1 5 1450 1 1 12 HIS HD1 H 6.267 -0.783 -2.228 1.00 . A A . 12 HIS HD1 1 1 5 1451 1 1 12 HIS HD2 H 2.531 -1.670 -0.639 1.00 . A A . 12 HIS HD2 1 1 5 1452 1 1 12 HIS HE1 H 5.027 -1.984 -4.057 1.00 . A A . 12 HIS HE1 1 1 5 1453 1 1 12 HIS N N 3.030 0.177 1.567 1.00 . A A . 12 HIS N 1 1 5 1454 1 1 12 HIS ND1 N 5.350 -1.113 -2.128 1.00 . A A . 12 HIS ND1 1 1 5 1455 1 1 12 HIS NE2 N 3.474 -2.041 -2.586 1.00 . A A . 12 HIS NE2 1 1 5 1456 1 1 12 HIS O O 4.170 2.422 -0.978 1.00 . A A . 12 HIS O 1 1 5 1457 1 1 13 VAL C C 1.570 3.389 -1.692 1.00 . A A . 13 VAL C 1 1 5 1458 1 1 13 VAL CA C 1.614 1.880 -1.902 1.00 . A A . 13 VAL CA 1 1 5 1459 1 1 13 VAL CB C 0.178 1.356 -2.090 1.00 . A A . 13 VAL CB 1 1 5 1460 1 1 13 VAL CG1 C -0.547 2.157 -3.161 1.00 . A A . 13 VAL CG1 1 1 5 1461 1 1 13 VAL CG2 C 0.192 -0.125 -2.437 1.00 . A A . 13 VAL CG2 1 1 5 1462 1 1 13 VAL H H 1.809 0.505 -0.305 1.00 . A A . 13 VAL H 1 1 5 1463 1 1 13 VAL HA H 2.173 1.667 -2.802 1.00 . A A . 13 VAL HA 1 1 5 1464 1 1 13 VAL HB H -0.353 1.481 -1.157 1.00 . A A . 13 VAL HB 1 1 5 1465 1 1 13 VAL HG11 H -1.039 1.480 -3.844 1.00 . A A . 13 VAL HG11 1 1 5 1466 1 1 13 VAL HG12 H -1.281 2.798 -2.697 1.00 . A A . 13 VAL HG12 1 1 5 1467 1 1 13 VAL HG13 H 0.167 2.759 -3.704 1.00 . A A . 13 VAL HG13 1 1 5 1468 1 1 13 VAL HG21 H 0.456 -0.248 -3.476 1.00 . A A . 13 VAL HG21 1 1 5 1469 1 1 13 VAL HG22 H 0.918 -0.633 -1.818 1.00 . A A . 13 VAL HG22 1 1 5 1470 1 1 13 VAL HG23 H -0.787 -0.546 -2.261 1.00 . A A . 13 VAL HG23 1 1 5 1471 1 1 13 VAL N N 2.282 1.213 -0.790 1.00 . A A . 13 VAL N 1 1 5 1472 1 1 13 VAL O O 1.908 4.162 -2.589 1.00 . A A . 13 VAL O 1 1 5 1473 1 1 14 VAL C C 2.371 5.939 -0.488 1.00 . A A . 14 VAL C 1 1 5 1474 1 1 14 VAL CA C 1.064 5.220 -0.170 1.00 . A A . 14 VAL CA 1 1 5 1475 1 1 14 VAL CB C 0.725 5.431 1.318 1.00 . A A . 14 VAL CB 1 1 5 1476 1 1 14 VAL CG1 C 0.702 6.913 1.656 1.00 . A A . 14 VAL CG1 1 1 5 1477 1 1 14 VAL CG2 C -0.607 4.778 1.657 1.00 . A A . 14 VAL CG2 1 1 5 1478 1 1 14 VAL H H 0.897 3.138 0.174 1.00 . A A . 14 VAL H 1 1 5 1479 1 1 14 VAL HA H 0.273 5.653 -0.763 1.00 . A A . 14 VAL HA 1 1 5 1480 1 1 14 VAL HB H 1.494 4.960 1.912 1.00 . A A . 14 VAL HB 1 1 5 1481 1 1 14 VAL HG11 H 0.103 7.071 2.541 1.00 . A A . 14 VAL HG11 1 1 5 1482 1 1 14 VAL HG12 H 1.710 7.257 1.836 1.00 . A A . 14 VAL HG12 1 1 5 1483 1 1 14 VAL HG13 H 0.275 7.464 0.830 1.00 . A A . 14 VAL HG13 1 1 5 1484 1 1 14 VAL HG21 H -0.429 3.846 2.174 1.00 . A A . 14 VAL HG21 1 1 5 1485 1 1 14 VAL HG22 H -1.181 5.437 2.291 1.00 . A A . 14 VAL HG22 1 1 5 1486 1 1 14 VAL HG23 H -1.156 4.585 0.748 1.00 . A A . 14 VAL HG23 1 1 5 1487 1 1 14 VAL N N 1.152 3.803 -0.500 1.00 . A A . 14 VAL N 1 1 5 1488 1 1 14 VAL O O 2.374 6.982 -1.141 1.00 . A A . 14 VAL O 1 1 5 1489 1 1 15 GLY C C 5.053 6.180 -1.743 1.00 . A A . 15 GLY C 1 1 5 1490 1 1 15 GLY CA C 4.779 5.976 -0.266 1.00 . A A . 15 GLY CA 1 1 5 1491 1 1 15 GLY H H 3.417 4.543 0.494 1.00 . A A . 15 GLY H 1 1 5 1492 1 1 15 GLY HA2 H 4.820 6.931 0.234 1.00 . A A . 15 GLY HA2 1 1 5 1493 1 1 15 GLY HA3 H 5.543 5.332 0.144 1.00 . A A . 15 GLY HA3 1 1 5 1494 1 1 15 GLY N N 3.480 5.374 -0.021 1.00 . A A . 15 GLY N 1 1 5 1495 1 1 15 GLY O O 5.864 7.027 -2.119 1.00 . A A . 15 GLY O 1 1 5 1496 1 1 16 ALA C C 3.564 6.499 -4.630 1.00 . A A . 16 ALA C 1 1 5 1497 1 1 16 ALA CA C 4.550 5.506 -4.026 1.00 . A A . 16 ALA CA 1 1 5 1498 1 1 16 ALA CB C 4.390 4.138 -4.674 1.00 . A A . 16 ALA CB 1 1 5 1499 1 1 16 ALA H H 3.743 4.749 -2.222 1.00 . A A . 16 ALA H 1 1 5 1500 1 1 16 ALA HA H 5.557 5.851 -4.217 1.00 . A A . 16 ALA HA 1 1 5 1501 1 1 16 ALA HB1 H 5.098 3.448 -4.236 1.00 . A A . 16 ALA HB1 1 1 5 1502 1 1 16 ALA HB2 H 3.386 3.777 -4.509 1.00 . A A . 16 ALA HB2 1 1 5 1503 1 1 16 ALA HB3 H 4.575 4.219 -5.735 1.00 . A A . 16 ALA HB3 1 1 5 1504 1 1 16 ALA N N 4.376 5.404 -2.582 1.00 . A A . 16 ALA N 1 1 5 1505 1 1 16 ALA O O 3.956 7.428 -5.336 1.00 . A A . 16 ALA O 1 1 5 1506 1 1 17 ILE C C 1.498 8.624 -4.475 1.00 . A A . 17 ILE C 1 1 5 1507 1 1 17 ILE CA C 1.238 7.173 -4.865 1.00 . A A . 17 ILE CA 1 1 5 1508 1 1 17 ILE CB C -0.153 6.757 -4.353 1.00 . A A . 17 ILE CB 1 1 5 1509 1 1 17 ILE CD1 C -1.829 4.842 -4.321 1.00 . A A . 17 ILE CD1 1 1 5 1510 1 1 17 ILE CG1 C -0.471 5.322 -4.780 1.00 . A A . 17 ILE CG1 1 1 5 1511 1 1 17 ILE CG2 C -1.217 7.716 -4.868 1.00 . A A . 17 ILE CG2 1 1 5 1512 1 1 17 ILE H H 2.029 5.538 -3.781 1.00 . A A . 17 ILE H 1 1 5 1513 1 1 17 ILE HA H 1.240 7.096 -5.943 1.00 . A A . 17 ILE HA 1 1 5 1514 1 1 17 ILE HB H -0.146 6.811 -3.275 1.00 . A A . 17 ILE HB 1 1 5 1515 1 1 17 ILE HD11 H -1.895 4.921 -3.247 1.00 . A A . 17 ILE HD11 1 1 5 1516 1 1 17 ILE HD12 H -2.598 5.447 -4.776 1.00 . A A . 17 ILE HD12 1 1 5 1517 1 1 17 ILE HD13 H -1.963 3.810 -4.614 1.00 . A A . 17 ILE HD13 1 1 5 1518 1 1 17 ILE HG12 H -0.443 5.260 -5.857 1.00 . A A . 17 ILE HG12 1 1 5 1519 1 1 17 ILE HG13 H 0.275 4.659 -4.367 1.00 . A A . 17 ILE HG13 1 1 5 1520 1 1 17 ILE HG21 H -0.999 8.715 -4.518 1.00 . A A . 17 ILE HG21 1 1 5 1521 1 1 17 ILE HG22 H -1.217 7.706 -5.947 1.00 . A A . 17 ILE HG22 1 1 5 1522 1 1 17 ILE HG23 H -2.185 7.410 -4.504 1.00 . A A . 17 ILE HG23 1 1 5 1523 1 1 17 ILE N N 2.280 6.296 -4.349 1.00 . A A . 17 ILE N 1 1 5 1524 1 1 17 ILE O O 1.217 9.544 -5.242 1.00 . A A . 17 ILE O 1 1 5 1525 1 1 18 ALA C C 3.555 10.745 -3.496 1.00 . A A . 18 ALA C 1 1 5 1526 1 1 18 ALA CA C 2.339 10.160 -2.785 1.00 . A A . 18 ALA CA 1 1 5 1527 1 1 18 ALA CB C 2.569 10.131 -1.281 1.00 . A A . 18 ALA CB 1 1 5 1528 1 1 18 ALA H H 2.238 8.048 -2.709 1.00 . A A . 18 ALA H 1 1 5 1529 1 1 18 ALA HA H 1.483 10.789 -2.981 1.00 . A A . 18 ALA HA 1 1 5 1530 1 1 18 ALA HB1 H 3.055 11.045 -0.974 1.00 . A A . 18 ALA HB1 1 1 5 1531 1 1 18 ALA HB2 H 1.620 10.039 -0.774 1.00 . A A . 18 ALA HB2 1 1 5 1532 1 1 18 ALA HB3 H 3.195 9.288 -1.029 1.00 . A A . 18 ALA HB3 1 1 5 1533 1 1 18 ALA N N 2.037 8.821 -3.276 1.00 . A A . 18 ALA N 1 1 5 1534 1 1 18 ALA O O 3.810 11.946 -3.422 1.00 . A A . 18 ALA O 1 1 5 1535 1 1 19 GLU C C 5.112 11.118 -6.150 1.00 . A A . 19 GLU C 1 1 5 1536 1 1 19 GLU CA C 5.492 10.319 -4.907 1.00 . A A . 19 GLU CA 1 1 5 1537 1 1 19 GLU CB C 6.343 9.111 -5.304 1.00 . A A . 19 GLU CB 1 1 5 1538 1 1 19 GLU CD C 8.329 9.247 -6.857 1.00 . A A . 19 GLU CD 1 1 5 1539 1 1 19 GLU CG C 7.823 9.427 -5.440 1.00 . A A . 19 GLU CG 1 1 5 1540 1 1 19 GLU H H 4.048 8.940 -4.205 1.00 . A A . 19 GLU H 1 1 5 1541 1 1 19 GLU HA H 6.067 10.953 -4.249 1.00 . A A . 19 GLU HA 1 1 5 1542 1 1 19 GLU HB2 H 6.227 8.343 -4.553 1.00 . A A . 19 GLU HB2 1 1 5 1543 1 1 19 GLU HB3 H 5.989 8.732 -6.250 1.00 . A A . 19 GLU HB3 1 1 5 1544 1 1 19 GLU HG2 H 7.988 10.452 -5.142 1.00 . A A . 19 GLU HG2 1 1 5 1545 1 1 19 GLU HG3 H 8.380 8.771 -4.788 1.00 . A A . 19 GLU HG3 1 1 5 1546 1 1 19 GLU N N 4.302 9.886 -4.184 1.00 . A A . 19 GLU N 1 1 5 1547 1 1 19 GLU O O 5.630 12.211 -6.382 1.00 . A A . 19 GLU O 1 1 5 1548 1 1 19 GLU OE1 O 8.302 8.102 -7.356 1.00 . A A . 19 GLU OE1 1 1 5 1549 1 1 19 GLU OE2 O 8.753 10.250 -7.469 1.00 . A A . 19 GLU OE2 1 1 5 1550 1 1 20 HIS C C 2.745 12.323 -7.852 1.00 . A A . 20 HIS C 1 1 5 1551 1 1 20 HIS CA C 3.756 11.224 -8.169 1.00 . A A . 20 HIS CA 1 1 5 1552 1 1 20 HIS CB C 3.135 10.205 -9.125 1.00 . A A . 20 HIS CB 1 1 5 1553 1 1 20 HIS CD2 C 1.047 9.071 -8.084 1.00 . A A . 20 HIS CD2 1 1 5 1554 1 1 20 HIS CE1 C -0.497 10.258 -9.090 1.00 . A A . 20 HIS CE1 1 1 5 1555 1 1 20 HIS CG C 1.676 9.965 -8.882 1.00 . A A . 20 HIS CG 1 1 5 1556 1 1 20 HIS H H 3.829 9.691 -6.711 1.00 . A A . 20 HIS H 1 1 5 1557 1 1 20 HIS HA H 4.617 11.669 -8.642 1.00 . A A . 20 HIS HA 1 1 5 1558 1 1 20 HIS HB2 H 3.248 10.559 -10.140 1.00 . A A . 20 HIS HB2 1 1 5 1559 1 1 20 HIS HB3 H 3.650 9.261 -9.019 1.00 . A A . 20 HIS HB3 1 1 5 1560 1 1 20 HIS HD1 H 0.818 11.421 -10.140 1.00 . A A . 20 HIS HD1 1 1 5 1561 1 1 20 HIS HD2 H 1.519 8.335 -7.449 1.00 . A A . 20 HIS HD2 1 1 5 1562 1 1 20 HIS HE1 H -1.456 10.641 -9.404 1.00 . A A . 20 HIS HE1 1 1 5 1563 1 1 20 HIS N N 4.205 10.564 -6.948 1.00 . A A . 20 HIS N 1 1 5 1564 1 1 20 HIS ND1 N 0.681 10.693 -9.499 1.00 . A A . 20 HIS ND1 1 1 5 1565 1 1 20 HIS NE2 N -0.303 9.273 -8.231 1.00 . A A . 20 HIS NE2 1 1 5 1566 1 1 20 HIS O O 2.568 13.260 -8.630 1.00 . A A . 20 HIS O 1 1 5 1567 1 1 21 PHE C C 1.637 14.066 -5.170 1.00 . A A . 21 PHE C 1 1 5 1568 1 1 21 PHE CA C 1.091 13.181 -6.287 1.00 . A A . 21 PHE CA 1 1 5 1569 1 1 21 PHE CB C -0.185 12.478 -5.819 1.00 . A A . 21 PHE CB 1 1 5 1570 1 1 21 PHE CD1 C -1.708 13.221 -7.669 1.00 . A A . 21 PHE CD1 1 1 5 1571 1 1 21 PHE CD2 C -2.365 13.656 -5.419 1.00 . A A . 21 PHE CD2 1 1 5 1572 1 1 21 PHE CE1 C -2.866 13.822 -8.127 1.00 . A A . 21 PHE CE1 1 1 5 1573 1 1 21 PHE CE2 C -3.524 14.257 -5.870 1.00 . A A . 21 PHE CE2 1 1 5 1574 1 1 21 PHE CG C -1.444 13.132 -6.312 1.00 . A A . 21 PHE CG 1 1 5 1575 1 1 21 PHE CZ C -3.775 14.340 -7.226 1.00 . A A . 21 PHE CZ 1 1 5 1576 1 1 21 PHE H H 2.270 11.430 -6.128 1.00 . A A . 21 PHE H 1 1 5 1577 1 1 21 PHE HA H 0.859 13.801 -7.139 1.00 . A A . 21 PHE HA 1 1 5 1578 1 1 21 PHE HB2 H -0.178 11.460 -6.175 1.00 . A A . 21 PHE HB2 1 1 5 1579 1 1 21 PHE HB3 H -0.211 12.478 -4.739 1.00 . A A . 21 PHE HB3 1 1 5 1580 1 1 21 PHE HD1 H -0.997 12.815 -8.375 1.00 . A A . 21 PHE HD1 1 1 5 1581 1 1 21 PHE HD2 H -2.169 13.592 -4.358 1.00 . A A . 21 PHE HD2 1 1 5 1582 1 1 21 PHE HE1 H -3.059 13.885 -9.187 1.00 . A A . 21 PHE HE1 1 1 5 1583 1 1 21 PHE HE2 H -4.234 14.662 -5.164 1.00 . A A . 21 PHE HE2 1 1 5 1584 1 1 21 PHE HZ H -4.681 14.809 -7.581 1.00 . A A . 21 PHE HZ 1 1 5 1585 1 1 21 PHE N N 2.085 12.199 -6.706 1.00 . A A . 21 PHE N 1 1 5 1586 1 1 21 PHE O O 0.908 14.630 -4.392 1.00 . A A . 21 PHE O 1 1 5 1587 1 1 22 NH2 HN1 H 3.673 13.678 -5.796 1.00 . A A . 22 NH2 HN1 1 1 5 1588 1 1 22 NH2 HN2 H 3.554 14.759 -4.374 1.00 . A A . 22 NH2 HN2 1 1 5 1589 1 1 22 NH2 N N 3.148 14.192 -5.095 1.00 . A A . 22 NH2 N 1 1 5 1590 2 2 1 UNX UNK . -13.201 0.498 -12.540 1.00 . B A . 100 UNX UNK 1 1 6 1591 1 1 1 GLY C C -4.088 -15.954 0.771 1.00 . A A . 1 GLY C 1 1 6 1592 1 1 1 GLY CA C -3.955 -17.164 1.675 1.00 . A A . 1 GLY CA 1 1 6 1593 1 1 1 GLY H1 H -2.563 -17.899 3.046 1.00 . A A . 1 GLY H1 1 1 6 1594 1 1 1 GLY H2 H -2.030 -16.583 2.237 1.00 . A A . 1 GLY H2 1 1 6 1595 1 1 1 GLY H3 H -2.931 -16.513 3.409 1.00 . A A . 1 GLY H3 1 1 6 1596 1 1 1 GLY HA2 H -3.816 -18.043 1.063 1.00 . A A . 1 GLY HA2 1 1 6 1597 1 1 1 GLY HA3 H -4.866 -17.276 2.244 1.00 . A A . 1 GLY HA3 1 1 6 1598 1 1 1 GLY N N -2.839 -17.050 2.594 1.00 . A A . 1 GLY N 1 1 6 1599 1 1 1 GLY O O -3.088 -15.350 0.380 1.00 . A A . 1 GLY O 1 1 6 1600 1 1 2 LEU C C -4.987 -13.180 0.162 1.00 . A A . 2 LEU C 1 1 6 1601 1 1 2 LEU CA C -5.584 -14.454 -0.428 1.00 . A A . 2 LEU CA 1 1 6 1602 1 1 2 LEU CB C -7.089 -14.278 -0.635 1.00 . A A . 2 LEU CB 1 1 6 1603 1 1 2 LEU CD1 C -8.321 -12.862 1.027 1.00 . A A . 2 LEU CD1 1 1 6 1604 1 1 2 LEU CD2 C -9.194 -15.129 0.428 1.00 . A A . 2 LEU CD2 1 1 6 1605 1 1 2 LEU CG C -7.946 -14.282 0.631 1.00 . A A . 2 LEU CG 1 1 6 1606 1 1 2 LEU H H -6.079 -16.119 0.780 1.00 . A A . 2 LEU H 1 1 6 1607 1 1 2 LEU HA H -5.118 -14.648 -1.382 1.00 . A A . 2 LEU HA 1 1 6 1608 1 1 2 LEU HB2 H -7.246 -13.336 -1.137 1.00 . A A . 2 LEU HB2 1 1 6 1609 1 1 2 LEU HB3 H -7.431 -15.083 -1.270 1.00 . A A . 2 LEU HB3 1 1 6 1610 1 1 2 LEU HD11 H -9.365 -12.693 0.811 1.00 . A A . 2 LEU HD11 1 1 6 1611 1 1 2 LEU HD12 H -7.719 -12.162 0.467 1.00 . A A . 2 LEU HD12 1 1 6 1612 1 1 2 LEU HD13 H -8.143 -12.725 2.083 1.00 . A A . 2 LEU HD13 1 1 6 1613 1 1 2 LEU HD21 H -9.701 -14.810 -0.472 1.00 . A A . 2 LEU HD21 1 1 6 1614 1 1 2 LEU HD22 H -9.854 -15.006 1.274 1.00 . A A . 2 LEU HD22 1 1 6 1615 1 1 2 LEU HD23 H -8.914 -16.167 0.336 1.00 . A A . 2 LEU HD23 1 1 6 1616 1 1 2 LEU HG H -7.376 -14.715 1.442 1.00 . A A . 2 LEU HG 1 1 6 1617 1 1 2 LEU N N -5.324 -15.600 0.438 1.00 . A A . 2 LEU N 1 1 6 1618 1 1 2 LEU O O -4.270 -12.446 -0.517 1.00 . A A . 2 LEU O 1 1 6 1619 1 1 3 PHE C C -3.266 -11.816 2.282 1.00 . A A . 3 PHE C 1 1 6 1620 1 1 3 PHE CA C -4.781 -11.740 2.113 1.00 . A A . 3 PHE CA 1 1 6 1621 1 1 3 PHE CB C -5.451 -11.586 3.480 1.00 . A A . 3 PHE CB 1 1 6 1622 1 1 3 PHE CD1 C -5.330 -9.175 4.163 1.00 . A A . 3 PHE CD1 1 1 6 1623 1 1 3 PHE CD2 C -7.423 -10.037 3.417 1.00 . A A . 3 PHE CD2 1 1 6 1624 1 1 3 PHE CE1 C -5.905 -7.934 4.358 1.00 . A A . 3 PHE CE1 1 1 6 1625 1 1 3 PHE CE2 C -8.005 -8.798 3.610 1.00 . A A . 3 PHE CE2 1 1 6 1626 1 1 3 PHE CG C -6.080 -10.239 3.691 1.00 . A A . 3 PHE CG 1 1 6 1627 1 1 3 PHE CZ C -7.245 -7.745 4.082 1.00 . A A . 3 PHE CZ 1 1 6 1628 1 1 3 PHE H H -5.866 -13.548 1.920 1.00 . A A . 3 PHE H 1 1 6 1629 1 1 3 PHE HA H -5.020 -10.880 1.505 1.00 . A A . 3 PHE HA 1 1 6 1630 1 1 3 PHE HB2 H -6.224 -12.332 3.580 1.00 . A A . 3 PHE HB2 1 1 6 1631 1 1 3 PHE HB3 H -4.713 -11.733 4.253 1.00 . A A . 3 PHE HB3 1 1 6 1632 1 1 3 PHE HD1 H -4.280 -9.321 4.380 1.00 . A A . 3 PHE HD1 1 1 6 1633 1 1 3 PHE HD2 H -8.019 -10.859 3.049 1.00 . A A . 3 PHE HD2 1 1 6 1634 1 1 3 PHE HE1 H -5.309 -7.113 4.728 1.00 . A A . 3 PHE HE1 1 1 6 1635 1 1 3 PHE HE2 H -9.053 -8.653 3.394 1.00 . A A . 3 PHE HE2 1 1 6 1636 1 1 3 PHE HZ H -7.697 -6.776 4.233 1.00 . A A . 3 PHE HZ 1 1 6 1637 1 1 3 PHE N N -5.288 -12.925 1.431 1.00 . A A . 3 PHE N 1 1 6 1638 1 1 3 PHE O O -2.584 -10.794 2.331 1.00 . A A . 3 PHE O 1 1 6 1639 1 1 4 GLY C C -0.511 -12.462 1.506 1.00 . A A . 4 GLY C 1 1 6 1640 1 1 4 GLY CA C -1.318 -13.226 2.537 1.00 . A A . 4 GLY CA 1 1 6 1641 1 1 4 GLY H H -3.340 -13.817 2.329 1.00 . A A . 4 GLY H 1 1 6 1642 1 1 4 GLY HA2 H -1.032 -12.891 3.522 1.00 . A A . 4 GLY HA2 1 1 6 1643 1 1 4 GLY HA3 H -1.092 -14.278 2.446 1.00 . A A . 4 GLY HA3 1 1 6 1644 1 1 4 GLY N N -2.747 -13.037 2.373 1.00 . A A . 4 GLY N 1 1 6 1645 1 1 4 GLY O O 0.614 -12.039 1.776 1.00 . A A . 4 GLY O 1 1 6 1646 1 1 5 VAL C C -0.862 -10.115 -0.815 1.00 . A A . 5 VAL C 1 1 6 1647 1 1 5 VAL CA C -0.410 -11.569 -0.757 1.00 . A A . 5 VAL CA 1 1 6 1648 1 1 5 VAL CB C -0.672 -12.232 -2.122 1.00 . A A . 5 VAL CB 1 1 6 1649 1 1 5 VAL CG1 C 0.011 -11.450 -3.234 1.00 . A A . 5 VAL CG1 1 1 6 1650 1 1 5 VAL CG2 C -0.202 -13.679 -2.111 1.00 . A A . 5 VAL CG2 1 1 6 1651 1 1 5 VAL H H -1.982 -12.647 0.164 1.00 . A A . 5 VAL H 1 1 6 1652 1 1 5 VAL HA H 0.653 -11.599 -0.563 1.00 . A A . 5 VAL HA 1 1 6 1653 1 1 5 VAL HB H -1.737 -12.222 -2.306 1.00 . A A . 5 VAL HB 1 1 6 1654 1 1 5 VAL HG11 H -0.616 -10.619 -3.526 1.00 . A A . 5 VAL HG11 1 1 6 1655 1 1 5 VAL HG12 H 0.962 -11.080 -2.884 1.00 . A A . 5 VAL HG12 1 1 6 1656 1 1 5 VAL HG13 H 0.166 -12.096 -4.085 1.00 . A A . 5 VAL HG13 1 1 6 1657 1 1 5 VAL HG21 H 0.000 -13.998 -3.123 1.00 . A A . 5 VAL HG21 1 1 6 1658 1 1 5 VAL HG22 H 0.699 -13.761 -1.521 1.00 . A A . 5 VAL HG22 1 1 6 1659 1 1 5 VAL HG23 H -0.971 -14.304 -1.682 1.00 . A A . 5 VAL HG23 1 1 6 1660 1 1 5 VAL N N -1.084 -12.286 0.320 1.00 . A A . 5 VAL N 1 1 6 1661 1 1 5 VAL O O -0.145 -9.251 -1.322 1.00 . A A . 5 VAL O 1 1 6 1662 1 1 6 LEU C C -1.615 -7.514 0.338 1.00 . A A . 6 LEU C 1 1 6 1663 1 1 6 LEU CA C -2.602 -8.498 -0.282 1.00 . A A . 6 LEU CA 1 1 6 1664 1 1 6 LEU CB C -3.923 -8.467 0.488 1.00 . A A . 6 LEU CB 1 1 6 1665 1 1 6 LEU CD1 C -6.412 -8.757 0.557 1.00 . A A . 6 LEU CD1 1 1 6 1666 1 1 6 LEU CD2 C -5.350 -7.534 -1.350 1.00 . A A . 6 LEU CD2 1 1 6 1667 1 1 6 LEU CG C -5.191 -8.665 -0.345 1.00 . A A . 6 LEU CG 1 1 6 1668 1 1 6 LEU H H -2.577 -10.579 0.099 1.00 . A A . 6 LEU H 1 1 6 1669 1 1 6 LEU HA H -2.784 -8.208 -1.306 1.00 . A A . 6 LEU HA 1 1 6 1670 1 1 6 LEU HB2 H -3.890 -9.249 1.231 1.00 . A A . 6 LEU HB2 1 1 6 1671 1 1 6 LEU HB3 H -3.996 -7.508 0.980 1.00 . A A . 6 LEU HB3 1 1 6 1672 1 1 6 LEU HD11 H -7.177 -8.086 0.194 1.00 . A A . 6 LEU HD11 1 1 6 1673 1 1 6 LEU HD12 H -6.138 -8.479 1.563 1.00 . A A . 6 LEU HD12 1 1 6 1674 1 1 6 LEU HD13 H -6.787 -9.769 0.552 1.00 . A A . 6 LEU HD13 1 1 6 1675 1 1 6 LEU HD21 H -4.809 -7.777 -2.253 1.00 . A A . 6 LEU HD21 1 1 6 1676 1 1 6 LEU HD22 H -4.956 -6.621 -0.929 1.00 . A A . 6 LEU HD22 1 1 6 1677 1 1 6 LEU HD23 H -6.396 -7.404 -1.581 1.00 . A A . 6 LEU HD23 1 1 6 1678 1 1 6 LEU HG H -5.111 -9.593 -0.893 1.00 . A A . 6 LEU HG 1 1 6 1679 1 1 6 LEU N N -2.054 -9.849 -0.291 1.00 . A A . 6 LEU N 1 1 6 1680 1 1 6 LEU O O -1.617 -6.328 0.011 1.00 . A A . 6 LEU O 1 1 6 1681 1 1 7 ALA C C 1.158 -6.532 0.885 1.00 . A A . 7 ALA C 1 1 6 1682 1 1 7 ALA CA C 0.222 -7.182 1.899 1.00 . A A . 7 ALA CA 1 1 6 1683 1 1 7 ALA CB C 1.017 -8.005 2.901 1.00 . A A . 7 ALA CB 1 1 6 1684 1 1 7 ALA H H -0.820 -8.969 1.455 1.00 . A A . 7 ALA H 1 1 6 1685 1 1 7 ALA HA H -0.300 -6.406 2.440 1.00 . A A . 7 ALA HA 1 1 6 1686 1 1 7 ALA HB1 H 0.846 -9.057 2.718 1.00 . A A . 7 ALA HB1 1 1 6 1687 1 1 7 ALA HB2 H 2.069 -7.787 2.794 1.00 . A A . 7 ALA HB2 1 1 6 1688 1 1 7 ALA HB3 H 0.697 -7.758 3.903 1.00 . A A . 7 ALA HB3 1 1 6 1689 1 1 7 ALA N N -0.772 -8.015 1.235 1.00 . A A . 7 ALA N 1 1 6 1690 1 1 7 ALA O O 1.718 -5.465 1.136 1.00 . A A . 7 ALA O 1 1 6 1691 1 1 8 LYS C C 1.716 -5.302 -1.794 1.00 . A A . 8 LYS C 1 1 6 1692 1 1 8 LYS CA C 2.193 -6.671 -1.315 1.00 . A A . 8 LYS CA 1 1 6 1693 1 1 8 LYS CB C 2.235 -7.648 -2.491 1.00 . A A . 8 LYS CB 1 1 6 1694 1 1 8 LYS CD C 3.530 -7.895 -4.629 1.00 . A A . 8 LYS CD 1 1 6 1695 1 1 8 LYS CE C 3.469 -9.346 -5.082 1.00 . A A . 8 LYS CE 1 1 6 1696 1 1 8 LYS CG C 3.612 -7.788 -3.116 1.00 . A A . 8 LYS CG 1 1 6 1697 1 1 8 LYS H H 0.852 -8.031 -0.403 1.00 . A A . 8 LYS H 1 1 6 1698 1 1 8 LYS HA H 3.187 -6.569 -0.905 1.00 . A A . 8 LYS HA 1 1 6 1699 1 1 8 LYS HB2 H 1.919 -8.622 -2.146 1.00 . A A . 8 LYS HB2 1 1 6 1700 1 1 8 LYS HB3 H 1.550 -7.306 -3.253 1.00 . A A . 8 LYS HB3 1 1 6 1701 1 1 8 LYS HD2 H 2.640 -7.386 -4.970 1.00 . A A . 8 LYS HD2 1 1 6 1702 1 1 8 LYS HD3 H 4.402 -7.428 -5.063 1.00 . A A . 8 LYS HD3 1 1 6 1703 1 1 8 LYS HE2 H 2.869 -9.904 -4.379 1.00 . A A . 8 LYS HE2 1 1 6 1704 1 1 8 LYS HE3 H 3.008 -9.385 -6.058 1.00 . A A . 8 LYS HE3 1 1 6 1705 1 1 8 LYS HG2 H 4.205 -6.921 -2.859 1.00 . A A . 8 LYS HG2 1 1 6 1706 1 1 8 LYS HG3 H 4.086 -8.678 -2.727 1.00 . A A . 8 LYS HG3 1 1 6 1707 1 1 8 LYS HZ1 H 5.327 -9.608 -6.000 1.00 . A A . 8 LYS HZ1 1 1 6 1708 1 1 8 LYS HZ2 H 4.743 -10.994 -5.227 1.00 . A A . 8 LYS HZ2 1 1 6 1709 1 1 8 LYS HZ3 H 5.375 -9.720 -4.312 1.00 . A A . 8 LYS HZ3 1 1 6 1710 1 1 8 LYS N N 1.324 -7.184 -0.262 1.00 . A A . 8 LYS N 1 1 6 1711 1 1 8 LYS NZ N 4.823 -9.961 -5.161 1.00 . A A . 8 LYS NZ 1 1 6 1712 1 1 8 LYS O O 2.478 -4.545 -2.395 1.00 . A A . 8 LYS O 1 1 6 1713 1 1 9 VAL C C -0.864 -3.057 -0.763 1.00 . A A . 9 VAL C 1 1 6 1714 1 1 9 VAL CA C -0.124 -3.716 -1.923 1.00 . A A . 9 VAL CA 1 1 6 1715 1 1 9 VAL CB C -1.096 -3.885 -3.106 1.00 . A A . 9 VAL CB 1 1 6 1716 1 1 9 VAL CG1 C -1.380 -2.542 -3.760 1.00 . A A . 9 VAL CG1 1 1 6 1717 1 1 9 VAL CG2 C -0.534 -4.871 -4.119 1.00 . A A . 9 VAL CG2 1 1 6 1718 1 1 9 VAL H H -0.105 -5.638 -1.040 1.00 . A A . 9 VAL H 1 1 6 1719 1 1 9 VAL HA H 0.682 -3.068 -2.236 1.00 . A A . 9 VAL HA 1 1 6 1720 1 1 9 VAL HB H -2.027 -4.280 -2.727 1.00 . A A . 9 VAL HB 1 1 6 1721 1 1 9 VAL HG11 H -2.022 -1.957 -3.117 1.00 . A A . 9 VAL HG11 1 1 6 1722 1 1 9 VAL HG12 H -0.452 -2.013 -3.919 1.00 . A A . 9 VAL HG12 1 1 6 1723 1 1 9 VAL HG13 H -1.872 -2.700 -4.709 1.00 . A A . 9 VAL HG13 1 1 6 1724 1 1 9 VAL HG21 H -1.117 -4.825 -5.027 1.00 . A A . 9 VAL HG21 1 1 6 1725 1 1 9 VAL HG22 H 0.493 -4.618 -4.338 1.00 . A A . 9 VAL HG22 1 1 6 1726 1 1 9 VAL HG23 H -0.579 -5.870 -3.711 1.00 . A A . 9 VAL HG23 1 1 6 1727 1 1 9 VAL N N 0.453 -4.993 -1.522 1.00 . A A . 9 VAL N 1 1 6 1728 1 1 9 VAL O O -1.990 -2.588 -0.918 1.00 . A A . 9 VAL O 1 1 6 1729 1 1 10 ALA C C 0.254 -2.032 2.598 1.00 . A A . 10 ALA C 1 1 6 1730 1 1 10 ALA CA C -0.816 -2.424 1.586 1.00 . A A . 10 ALA CA 1 1 6 1731 1 1 10 ALA CB C -1.817 -3.381 2.218 1.00 . A A . 10 ALA CB 1 1 6 1732 1 1 10 ALA H H 0.676 -3.418 0.461 1.00 . A A . 10 ALA H 1 1 6 1733 1 1 10 ALA HA H -1.349 -1.537 1.278 1.00 . A A . 10 ALA HA 1 1 6 1734 1 1 10 ALA HB1 H -2.582 -3.629 1.495 1.00 . A A . 10 ALA HB1 1 1 6 1735 1 1 10 ALA HB2 H -1.308 -4.281 2.528 1.00 . A A . 10 ALA HB2 1 1 6 1736 1 1 10 ALA HB3 H -2.272 -2.909 3.076 1.00 . A A . 10 ALA HB3 1 1 6 1737 1 1 10 ALA N N -0.221 -3.027 0.400 1.00 . A A . 10 ALA N 1 1 6 1738 1 1 10 ALA O O 0.684 -2.888 3.346 1.00 . A A . 10 ALA O 1 1 6 1739 1 1 11 . C C 2.892 0.680 2.628 1.00 . A A . 11 I4G C 1 1 6 1740 1 1 11 . CA C 1.814 -0.040 3.399 1.00 . A A . 11 I4G CA 1 1 6 1741 1 1 11 . CB C 0.141 0.432 1.646 1.00 . A A . 11 I4G CB 1 1 6 1742 1 1 11 . CD1 C -1.861 0.302 3.235 1.00 . A A . 11 I4G CD1 1 1 6 1743 1 1 11 . CD2 C -0.526 2.437 3.035 1.00 . A A . 11 I4G CD2 1 1 6 1744 1 1 11 . CG C -1.048 1.203 2.274 1.00 . A A . 11 I4G CG 1 1 6 1745 1 1 11 . HA2 H 2.225 -0.819 3.873 1.00 . A A . 11 I4G HA2 1 1 6 1746 1 1 11 . HA3 H 1.426 0.592 4.071 1.00 . A A . 11 I4G HA3 1 1 6 1747 1 1 11 . HB2 H -0.163 -0.059 0.829 1.00 . A A . 11 I4G HB2 1 1 6 1748 1 1 11 . HB3 H 0.871 1.070 1.400 1.00 . A A . 11 I4G HB3 1 1 6 1749 1 1 11 . HD11 H -2.675 0.867 3.692 1.00 . A A . 11 I4G HD11 1 1 6 1750 1 1 11 . HD12 H -2.291 -0.543 2.700 1.00 . A A . 11 I4G HD12 1 1 6 1751 1 1 11 . HD13 H -1.219 -0.085 4.030 1.00 . A A . 11 I4G HD13 1 1 6 1752 1 1 11 . HD21 H -1.355 3.004 3.464 1.00 . A A . 11 I4G HD21 1 1 6 1753 1 1 11 . HD22 H 0.143 2.137 3.845 1.00 . A A . 11 I4G HD22 1 1 6 1754 1 1 11 . HD23 H 0.025 3.098 2.362 1.00 . A A . 11 I4G HD23 1 1 6 1755 1 1 11 . HG H -1.712 1.552 1.478 1.00 . A A . 11 I4G HG 1 1 6 1756 1 1 11 . N N 0.703 -0.554 2.579 1.00 . A A . 11 I4G N 1 1 6 1757 1 1 11 . O O 3.464 1.675 3.072 1.00 . A A . 11 I4G O 1 1 6 1758 1 1 12 HIS C C 3.467 1.560 -0.578 1.00 . A A . 12 HIS C 1 1 6 1759 1 1 12 HIS CA C 4.143 0.772 0.540 1.00 . A A . 12 HIS CA 1 1 6 1760 1 1 12 HIS CB C 5.046 -0.309 -0.055 1.00 . A A . 12 HIS CB 1 1 6 1761 1 1 12 HIS CD2 C 3.291 -1.508 -1.543 1.00 . A A . 12 HIS CD2 1 1 6 1762 1 1 12 HIS CE1 C 4.461 -1.614 -3.394 1.00 . A A . 12 HIS CE1 1 1 6 1763 1 1 12 HIS CG C 4.493 -0.933 -1.298 1.00 . A A . 12 HIS CG 1 1 6 1764 1 1 12 HIS H H 2.662 -0.622 1.128 1.00 . A A . 12 HIS H 1 1 6 1765 1 1 12 HIS HA H 4.745 1.449 1.127 1.00 . A A . 12 HIS HA 1 1 6 1766 1 1 12 HIS HB2 H 6.004 0.127 -0.300 1.00 . A A . 12 HIS HB2 1 1 6 1767 1 1 12 HIS HB3 H 5.188 -1.092 0.676 1.00 . A A . 12 HIS HB3 1 1 6 1768 1 1 12 HIS HD1 H 6.113 -0.686 -2.622 1.00 . A A . 12 HIS HD1 1 1 6 1769 1 1 12 HIS HD2 H 2.479 -1.619 -0.839 1.00 . A A . 12 HIS HD2 1 1 6 1770 1 1 12 HIS HE1 H 4.756 -1.817 -4.413 1.00 . A A . 12 HIS HE1 1 1 6 1771 1 1 12 HIS N N 3.150 0.173 1.426 1.00 . A A . 12 HIS N 1 1 6 1772 1 1 12 HIS ND1 N 5.202 -1.017 -2.478 1.00 . A A . 12 HIS ND1 1 1 6 1773 1 1 12 HIS NE2 N 3.297 -1.922 -2.851 1.00 . A A . 12 HIS NE2 1 1 6 1774 1 1 12 HIS O O 4.080 2.431 -1.196 1.00 . A A . 12 HIS O 1 1 6 1775 1 1 13 VAL C C 1.456 3.437 -1.673 1.00 . A A . 13 VAL C 1 1 6 1776 1 1 13 VAL CA C 1.441 1.926 -1.878 1.00 . A A . 13 VAL CA 1 1 6 1777 1 1 13 VAL CB C -0.019 1.437 -1.918 1.00 . A A . 13 VAL CB 1 1 6 1778 1 1 13 VAL CG1 C -0.832 2.265 -2.901 1.00 . A A . 13 VAL CG1 1 1 6 1779 1 1 13 VAL CG2 C -0.076 -0.040 -2.276 1.00 . A A . 13 VAL CG2 1 1 6 1780 1 1 13 VAL H H 1.766 0.545 -0.308 1.00 . A A . 13 VAL H 1 1 6 1781 1 1 13 VAL HA H 1.902 1.698 -2.828 1.00 . A A . 13 VAL HA 1 1 6 1782 1 1 13 VAL HB H -0.446 1.565 -0.934 1.00 . A A . 13 VAL HB 1 1 6 1783 1 1 13 VAL HG11 H -0.277 2.378 -3.822 1.00 . A A . 13 VAL HG11 1 1 6 1784 1 1 13 VAL HG12 H -1.770 1.768 -3.102 1.00 . A A . 13 VAL HG12 1 1 6 1785 1 1 13 VAL HG13 H -1.025 3.240 -2.477 1.00 . A A . 13 VAL HG13 1 1 6 1786 1 1 13 VAL HG21 H 0.558 -0.598 -1.602 1.00 . A A . 13 VAL HG21 1 1 6 1787 1 1 13 VAL HG22 H -1.094 -0.392 -2.188 1.00 . A A . 13 VAL HG22 1 1 6 1788 1 1 13 VAL HG23 H 0.267 -0.178 -3.291 1.00 . A A . 13 VAL HG23 1 1 6 1789 1 1 13 VAL N N 2.201 1.247 -0.834 1.00 . A A . 13 VAL N 1 1 6 1790 1 1 13 VAL O O 2.003 4.180 -2.487 1.00 . A A . 13 VAL O 1 1 6 1791 1 1 14 VAL C C 2.177 5.942 -0.333 1.00 . A A . 14 VAL C 1 1 6 1792 1 1 14 VAL CA C 0.791 5.308 -0.265 1.00 . A A . 14 VAL CA 1 1 6 1793 1 1 14 VAL CB C 0.196 5.552 1.134 1.00 . A A . 14 VAL CB 1 1 6 1794 1 1 14 VAL CG1 C 0.255 7.029 1.490 1.00 . A A . 14 VAL CG1 1 1 6 1795 1 1 14 VAL CG2 C -1.234 5.035 1.202 1.00 . A A . 14 VAL CG2 1 1 6 1796 1 1 14 VAL H H 0.429 3.244 0.033 1.00 . A A . 14 VAL H 1 1 6 1797 1 1 14 VAL HA H 0.152 5.786 -0.994 1.00 . A A . 14 VAL HA 1 1 6 1798 1 1 14 VAL HB H 0.788 5.006 1.855 1.00 . A A . 14 VAL HB 1 1 6 1799 1 1 14 VAL HG11 H -0.070 7.617 0.644 1.00 . A A . 14 VAL HG11 1 1 6 1800 1 1 14 VAL HG12 H -0.392 7.223 2.334 1.00 . A A . 14 VAL HG12 1 1 6 1801 1 1 14 VAL HG13 H 1.270 7.297 1.745 1.00 . A A . 14 VAL HG13 1 1 6 1802 1 1 14 VAL HG21 H -1.302 4.098 0.669 1.00 . A A . 14 VAL HG21 1 1 6 1803 1 1 14 VAL HG22 H -1.514 4.883 2.234 1.00 . A A . 14 VAL HG22 1 1 6 1804 1 1 14 VAL HG23 H -1.899 5.756 0.751 1.00 . A A . 14 VAL HG23 1 1 6 1805 1 1 14 VAL N N 0.849 3.886 -0.579 1.00 . A A . 14 VAL N 1 1 6 1806 1 1 14 VAL O O 2.317 7.123 -0.649 1.00 . A A . 14 VAL O 1 1 6 1807 1 1 15 GLY C C 5.004 6.034 -1.465 1.00 . A A . 15 GLY C 1 1 6 1808 1 1 15 GLY CA C 4.562 5.647 -0.068 1.00 . A A . 15 GLY CA 1 1 6 1809 1 1 15 GLY H H 3.029 4.214 0.211 1.00 . A A . 15 GLY H 1 1 6 1810 1 1 15 GLY HA2 H 4.632 6.513 0.575 1.00 . A A . 15 GLY HA2 1 1 6 1811 1 1 15 GLY HA3 H 5.224 4.880 0.306 1.00 . A A . 15 GLY HA3 1 1 6 1812 1 1 15 GLY N N 3.201 5.147 -0.034 1.00 . A A . 15 GLY N 1 1 6 1813 1 1 15 GLY O O 5.801 6.956 -1.638 1.00 . A A . 15 GLY O 1 1 6 1814 1 1 16 ALA C C 3.806 6.531 -4.500 1.00 . A A . 16 ALA C 1 1 6 1815 1 1 16 ALA CA C 4.830 5.605 -3.853 1.00 . A A . 16 ALA CA 1 1 6 1816 1 1 16 ALA CB C 4.940 4.306 -4.637 1.00 . A A . 16 ALA CB 1 1 6 1817 1 1 16 ALA H H 3.855 4.607 -2.262 1.00 . A A . 16 ALA H 1 1 6 1818 1 1 16 ALA HA H 5.797 6.088 -3.867 1.00 . A A . 16 ALA HA 1 1 6 1819 1 1 16 ALA HB1 H 5.247 3.510 -3.973 1.00 . A A . 16 ALA HB1 1 1 6 1820 1 1 16 ALA HB2 H 3.981 4.064 -5.070 1.00 . A A . 16 ALA HB2 1 1 6 1821 1 1 16 ALA HB3 H 5.671 4.420 -5.424 1.00 . A A . 16 ALA HB3 1 1 6 1822 1 1 16 ALA N N 4.486 5.329 -2.465 1.00 . A A . 16 ALA N 1 1 6 1823 1 1 16 ALA O O 4.164 7.449 -5.238 1.00 . A A . 16 ALA O 1 1 6 1824 1 1 17 ILE C C 1.642 8.567 -4.427 1.00 . A A . 17 ILE C 1 1 6 1825 1 1 17 ILE CA C 1.455 7.094 -4.776 1.00 . A A . 17 ILE CA 1 1 6 1826 1 1 17 ILE CB C 0.078 6.628 -4.268 1.00 . A A . 17 ILE CB 1 1 6 1827 1 1 17 ILE CD1 C -0.261 4.954 -6.156 1.00 . A A . 17 ILE CD1 1 1 6 1828 1 1 17 ILE CG1 C -0.167 5.170 -4.661 1.00 . A A . 17 ILE CG1 1 1 6 1829 1 1 17 ILE CG2 C -1.021 7.524 -4.820 1.00 . A A . 17 ILE CG2 1 1 6 1830 1 1 17 ILE H H 2.309 5.535 -3.628 1.00 . A A . 17 ILE H 1 1 6 1831 1 1 17 ILE HA H 1.477 6.984 -5.851 1.00 . A A . 17 ILE HA 1 1 6 1832 1 1 17 ILE HB H 0.070 6.710 -3.192 1.00 . A A . 17 ILE HB 1 1 6 1833 1 1 17 ILE HD11 H -0.024 5.875 -6.668 1.00 . A A . 17 ILE HD11 1 1 6 1834 1 1 17 ILE HD12 H 0.436 4.186 -6.453 1.00 . A A . 17 ILE HD12 1 1 6 1835 1 1 17 ILE HD13 H -1.265 4.649 -6.413 1.00 . A A . 17 ILE HD13 1 1 6 1836 1 1 17 ILE HG12 H 0.641 4.561 -4.289 1.00 . A A . 17 ILE HG12 1 1 6 1837 1 1 17 ILE HG13 H -1.096 4.837 -4.219 1.00 . A A . 17 ILE HG13 1 1 6 1838 1 1 17 ILE HG21 H -1.872 6.919 -5.097 1.00 . A A . 17 ILE HG21 1 1 6 1839 1 1 17 ILE HG22 H -1.316 8.236 -4.065 1.00 . A A . 17 ILE HG22 1 1 6 1840 1 1 17 ILE HG23 H -0.655 8.049 -5.689 1.00 . A A . 17 ILE HG23 1 1 6 1841 1 1 17 ILE N N 2.531 6.281 -4.221 1.00 . A A . 17 ILE N 1 1 6 1842 1 1 17 ILE O O 1.343 9.449 -5.231 1.00 . A A . 17 ILE O 1 1 6 1843 1 1 18 ALA C C 3.578 10.805 -3.467 1.00 . A A . 18 ALA C 1 1 6 1844 1 1 18 ALA CA C 2.371 10.190 -2.767 1.00 . A A . 18 ALA CA 1 1 6 1845 1 1 18 ALA CB C 2.562 10.218 -1.259 1.00 . A A . 18 ALA CB 1 1 6 1846 1 1 18 ALA H H 2.359 8.079 -2.626 1.00 . A A . 18 ALA H 1 1 6 1847 1 1 18 ALA HA H 1.494 10.774 -3.005 1.00 . A A . 18 ALA HA 1 1 6 1848 1 1 18 ALA HB1 H 1.828 9.577 -0.791 1.00 . A A . 18 ALA HB1 1 1 6 1849 1 1 18 ALA HB2 H 3.553 9.869 -1.015 1.00 . A A . 18 ALA HB2 1 1 6 1850 1 1 18 ALA HB3 H 2.438 11.229 -0.899 1.00 . A A . 18 ALA HB3 1 1 6 1851 1 1 18 ALA N N 2.140 8.825 -3.222 1.00 . A A . 18 ALA N 1 1 6 1852 1 1 18 ALA O O 3.815 12.009 -3.370 1.00 . A A . 18 ALA O 1 1 6 1853 1 1 19 GLU C C 5.132 11.163 -6.167 1.00 . A A . 19 GLU C 1 1 6 1854 1 1 19 GLU CA C 5.521 10.434 -4.885 1.00 . A A . 19 GLU CA 1 1 6 1855 1 1 19 GLU CB C 6.441 9.256 -5.213 1.00 . A A . 19 GLU CB 1 1 6 1856 1 1 19 GLU CD C 8.455 9.371 -6.731 1.00 . A A . 19 GLU CD 1 1 6 1857 1 1 19 GLU CG C 7.903 9.644 -5.345 1.00 . A A . 19 GLU CG 1 1 6 1858 1 1 19 GLU H H 4.096 9.022 -4.209 1.00 . A A . 19 GLU H 1 1 6 1859 1 1 19 GLU HA H 6.049 11.122 -4.241 1.00 . A A . 19 GLU HA 1 1 6 1860 1 1 19 GLU HB2 H 6.353 8.518 -4.429 1.00 . A A . 19 GLU HB2 1 1 6 1861 1 1 19 GLU HB3 H 6.121 8.815 -6.146 1.00 . A A . 19 GLU HB3 1 1 6 1862 1 1 19 GLU HG2 H 8.004 10.698 -5.135 1.00 . A A . 19 GLU HG2 1 1 6 1863 1 1 19 GLU HG3 H 8.479 9.077 -4.627 1.00 . A A . 19 GLU HG3 1 1 6 1864 1 1 19 GLU N N 4.338 9.971 -4.171 1.00 . A A . 19 GLU N 1 1 6 1865 1 1 19 GLU O O 5.587 12.279 -6.423 1.00 . A A . 19 GLU O 1 1 6 1866 1 1 19 GLU OE1 O 7.900 9.915 -7.709 1.00 . A A . 19 GLU OE1 1 1 6 1867 1 1 19 GLU OE2 O 9.445 8.616 -6.837 1.00 . A A . 19 GLU OE2 1 1 6 1868 1 1 20 HIS C C 2.780 12.181 -7.981 1.00 . A A . 20 HIS C 1 1 6 1869 1 1 20 HIS CA C 3.837 11.110 -8.229 1.00 . A A . 20 HIS CA 1 1 6 1870 1 1 20 HIS CB C 3.275 10.026 -9.149 1.00 . A A . 20 HIS CB 1 1 6 1871 1 1 20 HIS CD2 C 1.195 8.922 -8.062 1.00 . A A . 20 HIS CD2 1 1 6 1872 1 1 20 HIS CE1 C -0.355 9.925 -9.245 1.00 . A A . 20 HIS CE1 1 1 6 1873 1 1 20 HIS CG C 1.820 9.751 -8.931 1.00 . A A . 20 HIS CG 1 1 6 1874 1 1 20 HIS H H 3.961 9.637 -6.713 1.00 . A A . 20 HIS H 1 1 6 1875 1 1 20 HIS HA H 4.690 11.568 -8.706 1.00 . A A . 20 HIS HA 1 1 6 1876 1 1 20 HIS HB2 H 3.404 10.332 -10.177 1.00 . A A . 20 HIS HB2 1 1 6 1877 1 1 20 HIS HB3 H 3.817 9.105 -8.982 1.00 . A A . 20 HIS HB3 1 1 6 1878 1 1 20 HIS HD1 H 0.954 11.023 -10.370 1.00 . A A . 20 HIS HD1 1 1 6 1879 1 1 20 HIS HD2 H 1.670 8.280 -7.334 1.00 . A A . 20 HIS HD2 1 1 6 1880 1 1 20 HIS HE1 H -1.316 10.230 -9.633 1.00 . A A . 20 HIS HE1 1 1 6 1881 1 1 20 HIS N N 4.288 10.524 -6.971 1.00 . A A . 20 HIS N 1 1 6 1882 1 1 20 HIS ND1 N 0.820 10.363 -9.659 1.00 . A A . 20 HIS ND1 1 1 6 1883 1 1 20 HIS NE2 N -0.155 9.049 -8.278 1.00 . A A . 20 HIS NE2 1 1 6 1884 1 1 20 HIS O O 2.590 13.082 -8.798 1.00 . A A . 20 HIS O 1 1 6 1885 1 1 21 PHE C C 1.417 13.783 -5.212 1.00 . A A . 21 PHE C 1 1 6 1886 1 1 21 PHE CA C 1.054 13.035 -6.491 1.00 . A A . 21 PHE CA 1 1 6 1887 1 1 21 PHE CB C -0.288 12.322 -6.315 1.00 . A A . 21 PHE CB 1 1 6 1888 1 1 21 PHE CD1 C -1.604 14.391 -6.846 1.00 . A A . 21 PHE CD1 1 1 6 1889 1 1 21 PHE CD2 C -2.340 12.315 -7.759 1.00 . A A . 21 PHE CD2 1 1 6 1890 1 1 21 PHE CE1 C -2.656 15.040 -7.464 1.00 . A A . 21 PHE CE1 1 1 6 1891 1 1 21 PHE CE2 C -3.394 12.959 -8.379 1.00 . A A . 21 PHE CE2 1 1 6 1892 1 1 21 PHE CG C -1.434 13.024 -6.987 1.00 . A A . 21 PHE CG 1 1 6 1893 1 1 21 PHE CZ C -3.553 14.322 -8.231 1.00 . A A . 21 PHE CZ 1 1 6 1894 1 1 21 PHE H H 2.290 11.336 -6.235 1.00 . A A . 21 PHE H 1 1 6 1895 1 1 21 PHE HA H 0.970 13.746 -7.299 1.00 . A A . 21 PHE HA 1 1 6 1896 1 1 21 PHE HB2 H -0.218 11.328 -6.731 1.00 . A A . 21 PHE HB2 1 1 6 1897 1 1 21 PHE HB3 H -0.514 12.250 -5.261 1.00 . A A . 21 PHE HB3 1 1 6 1898 1 1 21 PHE HD1 H -0.902 14.954 -6.247 1.00 . A A . 21 PHE HD1 1 1 6 1899 1 1 21 PHE HD2 H -2.219 11.248 -7.875 1.00 . A A . 21 PHE HD2 1 1 6 1900 1 1 21 PHE HE1 H -2.777 16.106 -7.345 1.00 . A A . 21 PHE HE1 1 1 6 1901 1 1 21 PHE HE2 H -4.095 12.395 -8.978 1.00 . A A . 21 PHE HE2 1 1 6 1902 1 1 21 PHE HZ H -4.377 14.827 -8.715 1.00 . A A . 21 PHE HZ 1 1 6 1903 1 1 21 PHE N N 2.093 12.077 -6.847 1.00 . A A . 21 PHE N 1 1 6 1904 1 1 21 PHE O O 0.586 14.075 -4.389 1.00 . A A . 21 PHE O 1 1 6 1905 1 1 22 NH2 HN1 H 3.504 13.845 -5.788 1.00 . A A . 22 NH2 HN1 1 1 6 1906 1 1 22 NH2 HN2 H 3.171 14.622 -4.210 1.00 . A A . 22 NH2 HN2 1 1 6 1907 1 1 22 NH2 N N 2.883 14.135 -5.038 1.00 . A A . 22 NH2 N 1 1 6 1908 2 2 1 UNX UNK . -13.148 0.465 -12.559 1.00 . B A . 100 UNX UNK 1 1 7 1909 1 1 1 GLY C C -3.959 -16.269 0.358 1.00 . A A . 1 GLY C 1 1 7 1910 1 1 1 GLY CA C -3.722 -17.470 1.251 1.00 . A A . 1 GLY CA 1 1 7 1911 1 1 1 GLY H1 H -3.655 -16.469 3.084 1.00 . A A . 1 GLY H1 1 1 7 1912 1 1 1 GLY H2 H -5.105 -17.161 2.786 1.00 . A A . 1 GLY H2 1 1 7 1913 1 1 1 GLY H3 H -3.939 -17.903 3.313 1.00 . A A . 1 GLY H3 1 1 7 1914 1 1 1 GLY HA2 H -2.672 -17.719 1.231 1.00 . A A . 1 GLY HA2 1 1 7 1915 1 1 1 GLY HA3 H -4.288 -18.307 0.868 1.00 . A A . 1 GLY HA3 1 1 7 1916 1 1 1 GLY N N -4.120 -17.227 2.626 1.00 . A A . 1 GLY N 1 1 7 1917 1 1 1 GLY O O -3.091 -15.889 -0.428 1.00 . A A . 1 GLY O 1 1 7 1918 1 1 2 LEU C C -4.879 -13.234 0.261 1.00 . A A . 2 LEU C 1 1 7 1919 1 1 2 LEU CA C -5.489 -14.503 -0.326 1.00 . A A . 2 LEU CA 1 1 7 1920 1 1 2 LEU CB C -7.009 -14.358 -0.415 1.00 . A A . 2 LEU CB 1 1 7 1921 1 1 2 LEU CD1 C -8.943 -14.424 -2.009 1.00 . A A . 2 LEU CD1 1 1 7 1922 1 1 2 LEU CD2 C -7.595 -12.331 -1.767 1.00 . A A . 2 LEU CD2 1 1 7 1923 1 1 2 LEU CG C -7.558 -13.852 -1.749 1.00 . A A . 2 LEU CG 1 1 7 1924 1 1 2 LEU H H -5.790 -16.016 1.122 1.00 . A A . 2 LEU H 1 1 7 1925 1 1 2 LEU HA H -5.091 -14.653 -1.318 1.00 . A A . 2 LEU HA 1 1 7 1926 1 1 2 LEU HB2 H -7.445 -15.327 -0.225 1.00 . A A . 2 LEU HB2 1 1 7 1927 1 1 2 LEU HB3 H -7.321 -13.668 0.356 1.00 . A A . 2 LEU HB3 1 1 7 1928 1 1 2 LEU HD11 H -8.969 -15.458 -1.701 1.00 . A A . 2 LEU HD11 1 1 7 1929 1 1 2 LEU HD12 H -9.169 -14.357 -3.063 1.00 . A A . 2 LEU HD12 1 1 7 1930 1 1 2 LEU HD13 H -9.675 -13.862 -1.448 1.00 . A A . 2 LEU HD13 1 1 7 1931 1 1 2 LEU HD21 H -6.662 -11.953 -2.157 1.00 . A A . 2 LEU HD21 1 1 7 1932 1 1 2 LEU HD22 H -7.741 -11.962 -0.762 1.00 . A A . 2 LEU HD22 1 1 7 1933 1 1 2 LEU HD23 H -8.409 -11.998 -2.394 1.00 . A A . 2 LEU HD23 1 1 7 1934 1 1 2 LEU HG H -6.907 -14.181 -2.548 1.00 . A A . 2 LEU HG 1 1 7 1935 1 1 2 LEU N N -5.138 -15.668 0.479 1.00 . A A . 2 LEU N 1 1 7 1936 1 1 2 LEU O O -4.075 -12.562 -0.386 1.00 . A A . 2 LEU O 1 1 7 1937 1 1 3 PHE C C -3.245 -11.797 2.332 1.00 . A A . 3 PHE C 1 1 7 1938 1 1 3 PHE CA C -4.759 -11.722 2.165 1.00 . A A . 3 PHE CA 1 1 7 1939 1 1 3 PHE CB C -5.427 -11.561 3.532 1.00 . A A . 3 PHE CB 1 1 7 1940 1 1 3 PHE CD1 C -7.500 -10.164 3.315 1.00 . A A . 3 PHE CD1 1 1 7 1941 1 1 3 PHE CD2 C -5.538 -9.147 4.207 1.00 . A A . 3 PHE CD2 1 1 7 1942 1 1 3 PHE CE1 C -8.186 -8.973 3.456 1.00 . A A . 3 PHE CE1 1 1 7 1943 1 1 3 PHE CE2 C -6.218 -7.953 4.352 1.00 . A A . 3 PHE CE2 1 1 7 1944 1 1 3 PHE CG C -6.170 -10.265 3.688 1.00 . A A . 3 PHE CG 1 1 7 1945 1 1 3 PHE CZ C -7.545 -7.866 3.977 1.00 . A A . 3 PHE CZ 1 1 7 1946 1 1 3 PHE H H -5.913 -13.485 1.954 1.00 . A A . 3 PHE H 1 1 7 1947 1 1 3 PHE HA H -5.000 -10.866 1.554 1.00 . A A . 3 PHE HA 1 1 7 1948 1 1 3 PHE HB2 H -6.132 -12.366 3.678 1.00 . A A . 3 PHE HB2 1 1 7 1949 1 1 3 PHE HB3 H -4.671 -11.606 4.301 1.00 . A A . 3 PHE HB3 1 1 7 1950 1 1 3 PHE HD1 H -8.004 -11.030 2.909 1.00 . A A . 3 PHE HD1 1 1 7 1951 1 1 3 PHE HD2 H -4.499 -9.214 4.502 1.00 . A A . 3 PHE HD2 1 1 7 1952 1 1 3 PHE HE1 H -9.223 -8.908 3.163 1.00 . A A . 3 PHE HE1 1 1 7 1953 1 1 3 PHE HE2 H -5.714 -7.088 4.759 1.00 . A A . 3 PHE HE2 1 1 7 1954 1 1 3 PHE HZ H -8.077 -6.934 4.088 1.00 . A A . 3 PHE HZ 1 1 7 1955 1 1 3 PHE N N -5.268 -12.910 1.490 1.00 . A A . 3 PHE N 1 1 7 1956 1 1 3 PHE O O -2.562 -10.776 2.375 1.00 . A A . 3 PHE O 1 1 7 1957 1 1 4 GLY C C -0.491 -12.446 1.552 1.00 . A A . 4 GLY C 1 1 7 1958 1 1 4 GLY CA C -1.296 -13.206 2.587 1.00 . A A . 4 GLY CA 1 1 7 1959 1 1 4 GLY H H -3.318 -13.798 2.384 1.00 . A A . 4 GLY H 1 1 7 1960 1 1 4 GLY HA2 H -1.008 -12.868 3.572 1.00 . A A . 4 GLY HA2 1 1 7 1961 1 1 4 GLY HA3 H -1.070 -14.259 2.499 1.00 . A A . 4 GLY HA3 1 1 7 1962 1 1 4 GLY N N -2.726 -13.018 2.425 1.00 . A A . 4 GLY N 1 1 7 1963 1 1 4 GLY O O 0.635 -12.023 1.818 1.00 . A A . 4 GLY O 1 1 7 1964 1 1 5 VAL C C -0.845 -10.104 -0.773 1.00 . A A . 5 VAL C 1 1 7 1965 1 1 5 VAL CA C -0.394 -11.559 -0.712 1.00 . A A . 5 VAL CA 1 1 7 1966 1 1 5 VAL CB C -0.659 -12.224 -2.077 1.00 . A A . 5 VAL CB 1 1 7 1967 1 1 5 VAL CG1 C 0.020 -11.446 -3.192 1.00 . A A . 5 VAL CG1 1 1 7 1968 1 1 5 VAL CG2 C -0.190 -13.672 -2.062 1.00 . A A . 5 VAL CG2 1 1 7 1969 1 1 5 VAL H H -1.964 -12.633 0.214 1.00 . A A . 5 VAL H 1 1 7 1970 1 1 5 VAL HA H 0.668 -11.589 -0.522 1.00 . A A . 5 VAL HA 1 1 7 1971 1 1 5 VAL HB H -1.725 -12.215 -2.258 1.00 . A A . 5 VAL HB 1 1 7 1972 1 1 5 VAL HG11 H -0.684 -10.754 -3.629 1.00 . A A . 5 VAL HG11 1 1 7 1973 1 1 5 VAL HG12 H 0.862 -10.899 -2.790 1.00 . A A . 5 VAL HG12 1 1 7 1974 1 1 5 VAL HG13 H 0.367 -12.132 -3.950 1.00 . A A . 5 VAL HG13 1 1 7 1975 1 1 5 VAL HG21 H 0.862 -13.706 -1.824 1.00 . A A . 5 VAL HG21 1 1 7 1976 1 1 5 VAL HG22 H -0.746 -14.223 -1.318 1.00 . A A . 5 VAL HG22 1 1 7 1977 1 1 5 VAL HG23 H -0.355 -14.114 -3.033 1.00 . A A . 5 VAL HG23 1 1 7 1978 1 1 5 VAL N N -1.066 -12.272 0.367 1.00 . A A . 5 VAL N 1 1 7 1979 1 1 5 VAL O O -0.130 -9.241 -1.284 1.00 . A A . 5 VAL O 1 1 7 1980 1 1 6 LEU C C -1.597 -7.500 0.375 1.00 . A A . 6 LEU C 1 1 7 1981 1 1 6 LEU CA C -2.585 -8.485 -0.243 1.00 . A A . 6 LEU CA 1 1 7 1982 1 1 6 LEU CB C -3.905 -8.453 0.529 1.00 . A A . 6 LEU CB 1 1 7 1983 1 1 6 LEU CD1 C -6.380 -8.840 0.604 1.00 . A A . 6 LEU CD1 1 1 7 1984 1 1 6 LEU CD2 C -5.387 -7.476 -1.242 1.00 . A A . 6 LEU CD2 1 1 7 1985 1 1 6 LEU CG C -5.173 -8.653 -0.302 1.00 . A A . 6 LEU CG 1 1 7 1986 1 1 6 LEU H H -2.560 -10.566 0.143 1.00 . A A . 6 LEU H 1 1 7 1987 1 1 6 LEU HA H -2.768 -8.197 -1.268 1.00 . A A . 6 LEU HA 1 1 7 1988 1 1 6 LEU HB2 H -3.871 -9.232 1.274 1.00 . A A . 6 LEU HB2 1 1 7 1989 1 1 6 LEU HB3 H -3.977 -7.491 1.019 1.00 . A A . 6 LEU HB3 1 1 7 1990 1 1 6 LEU HD11 H -7.238 -8.354 0.165 1.00 . A A . 6 LEU HD11 1 1 7 1991 1 1 6 LEU HD12 H -6.175 -8.406 1.571 1.00 . A A . 6 LEU HD12 1 1 7 1992 1 1 6 LEU HD13 H -6.583 -9.895 0.719 1.00 . A A . 6 LEU HD13 1 1 7 1993 1 1 6 LEU HD21 H -4.711 -7.558 -2.080 1.00 . A A . 6 LEU HD21 1 1 7 1994 1 1 6 LEU HD22 H -5.194 -6.553 -0.713 1.00 . A A . 6 LEU HD22 1 1 7 1995 1 1 6 LEU HD23 H -6.405 -7.480 -1.599 1.00 . A A . 6 LEU HD23 1 1 7 1996 1 1 6 LEU HG H -5.065 -9.547 -0.903 1.00 . A A . 6 LEU HG 1 1 7 1997 1 1 6 LEU N N -2.036 -9.837 -0.250 1.00 . A A . 6 LEU N 1 1 7 1998 1 1 6 LEU O O -1.599 -6.315 0.044 1.00 . A A . 6 LEU O 1 1 7 1999 1 1 7 ALA C C 1.179 -6.520 0.916 1.00 . A A . 7 ALA C 1 1 7 2000 1 1 7 ALA CA C 0.243 -7.165 1.932 1.00 . A A . 7 ALA CA 1 1 7 2001 1 1 7 ALA CB C 1.037 -7.987 2.936 1.00 . A A . 7 ALA CB 1 1 7 2002 1 1 7 ALA H H -0.801 -8.954 1.493 1.00 . A A . 7 ALA H 1 1 7 2003 1 1 7 ALA HA H -0.279 -6.388 2.472 1.00 . A A . 7 ALA HA 1 1 7 2004 1 1 7 ALA HB1 H 1.965 -8.307 2.484 1.00 . A A . 7 ALA HB1 1 1 7 2005 1 1 7 ALA HB2 H 1.250 -7.383 3.806 1.00 . A A . 7 ALA HB2 1 1 7 2006 1 1 7 ALA HB3 H 0.462 -8.851 3.230 1.00 . A A . 7 ALA HB3 1 1 7 2007 1 1 7 ALA N N -0.753 -8.000 1.271 1.00 . A A . 7 ALA N 1 1 7 2008 1 1 7 ALA O O 1.739 -5.452 1.164 1.00 . A A . 7 ALA O 1 1 7 2009 1 1 8 LYS C C 1.734 -5.297 -1.767 1.00 . A A . 8 LYS C 1 1 7 2010 1 1 8 LYS CA C 2.210 -6.663 -1.284 1.00 . A A . 8 LYS CA 1 1 7 2011 1 1 8 LYS CB C 2.251 -7.644 -2.458 1.00 . A A . 8 LYS CB 1 1 7 2012 1 1 8 LYS CD C 3.551 -7.825 -4.601 1.00 . A A . 8 LYS CD 1 1 7 2013 1 1 8 LYS CE C 4.933 -7.759 -5.231 1.00 . A A . 8 LYS CE 1 1 7 2014 1 1 8 LYS CG C 3.629 -7.787 -3.083 1.00 . A A . 8 LYS CG 1 1 7 2015 1 1 8 LYS H H 0.868 -8.020 -0.369 1.00 . A A . 8 LYS H 1 1 7 2016 1 1 8 LYS HA H 3.204 -6.561 -0.876 1.00 . A A . 8 LYS HA 1 1 7 2017 1 1 8 LYS HB2 H 1.935 -8.617 -2.110 1.00 . A A . 8 LYS HB2 1 1 7 2018 1 1 8 LYS HB3 H 1.566 -7.303 -3.221 1.00 . A A . 8 LYS HB3 1 1 7 2019 1 1 8 LYS HD2 H 3.072 -8.744 -4.904 1.00 . A A . 8 LYS HD2 1 1 7 2020 1 1 8 LYS HD3 H 2.967 -6.983 -4.944 1.00 . A A . 8 LYS HD3 1 1 7 2021 1 1 8 LYS HE2 H 5.620 -7.334 -4.517 1.00 . A A . 8 LYS HE2 1 1 7 2022 1 1 8 LYS HE3 H 5.248 -8.762 -5.481 1.00 . A A . 8 LYS HE3 1 1 7 2023 1 1 8 LYS HG2 H 4.238 -6.945 -2.787 1.00 . A A . 8 LYS HG2 1 1 7 2024 1 1 8 LYS HG3 H 4.080 -8.703 -2.731 1.00 . A A . 8 LYS HG3 1 1 7 2025 1 1 8 LYS HZ1 H 4.440 -7.422 -7.233 1.00 . A A . 8 LYS HZ1 1 1 7 2026 1 1 8 LYS HZ2 H 5.918 -6.744 -6.768 1.00 . A A . 8 LYS HZ2 1 1 7 2027 1 1 8 LYS HZ3 H 4.467 -6.019 -6.288 1.00 . A A . 8 LYS HZ3 1 1 7 2028 1 1 8 LYS N N 1.343 -7.173 -0.230 1.00 . A A . 8 LYS N 1 1 7 2029 1 1 8 LYS NZ N 4.940 -6.928 -6.466 1.00 . A A . 8 LYS NZ 1 1 7 2030 1 1 8 LYS O O 2.495 -4.541 -2.371 1.00 . A A . 8 LYS O 1 1 7 2031 1 1 9 VAL C C -0.843 -3.047 -0.739 1.00 . A A . 9 VAL C 1 1 7 2032 1 1 9 VAL CA C -0.106 -3.708 -1.898 1.00 . A A . 9 VAL CA 1 1 7 2033 1 1 9 VAL CB C -1.079 -3.880 -3.079 1.00 . A A . 9 VAL CB 1 1 7 2034 1 1 9 VAL CG1 C -1.364 -2.539 -3.737 1.00 . A A . 9 VAL CG1 1 1 7 2035 1 1 9 VAL CG2 C -0.520 -4.870 -4.091 1.00 . A A . 9 VAL CG2 1 1 7 2036 1 1 9 VAL H H -0.086 -5.629 -1.009 1.00 . A A . 9 VAL H 1 1 7 2037 1 1 9 VAL HA H 0.700 -3.062 -2.214 1.00 . A A . 9 VAL HA 1 1 7 2038 1 1 9 VAL HB H -2.010 -4.275 -2.698 1.00 . A A . 9 VAL HB 1 1 7 2039 1 1 9 VAL HG11 H -0.435 -2.011 -3.895 1.00 . A A . 9 VAL HG11 1 1 7 2040 1 1 9 VAL HG12 H -1.855 -2.700 -4.686 1.00 . A A . 9 VAL HG12 1 1 7 2041 1 1 9 VAL HG13 H -2.006 -1.953 -3.095 1.00 . A A . 9 VAL HG13 1 1 7 2042 1 1 9 VAL HG21 H -0.407 -5.837 -3.622 1.00 . A A . 9 VAL HG21 1 1 7 2043 1 1 9 VAL HG22 H -1.197 -4.953 -4.928 1.00 . A A . 9 VAL HG22 1 1 7 2044 1 1 9 VAL HG23 H 0.443 -4.525 -4.439 1.00 . A A . 9 VAL HG23 1 1 7 2045 1 1 9 VAL N N 0.470 -4.985 -1.494 1.00 . A A . 9 VAL N 1 1 7 2046 1 1 9 VAL O O -1.971 -2.578 -0.894 1.00 . A A . 9 VAL O 1 1 7 2047 1 1 10 ALA C C 0.281 -2.006 2.614 1.00 . A A . 10 ALA C 1 1 7 2048 1 1 10 ALA CA C -0.792 -2.405 1.608 1.00 . A A . 10 ALA CA 1 1 7 2049 1 1 10 ALA CB C -1.788 -3.360 2.246 1.00 . A A . 10 ALA CB 1 1 7 2050 1 1 10 ALA H H 0.698 -3.402 0.482 1.00 . A A . 10 ALA H 1 1 7 2051 1 1 10 ALA HA H -1.327 -1.519 1.297 1.00 . A A . 10 ALA HA 1 1 7 2052 1 1 10 ALA HB1 H -2.110 -2.961 3.197 1.00 . A A . 10 ALA HB1 1 1 7 2053 1 1 10 ALA HB2 H -2.643 -3.476 1.596 1.00 . A A . 10 ALA HB2 1 1 7 2054 1 1 10 ALA HB3 H -1.319 -4.320 2.400 1.00 . A A . 10 ALA HB3 1 1 7 2055 1 1 10 ALA N N -0.198 -3.012 0.422 1.00 . A A . 10 ALA N 1 1 7 2056 1 1 10 ALA O O 0.716 -2.858 3.365 1.00 . A A . 10 ALA O 1 1 7 2057 1 1 11 . C C 2.912 0.713 2.624 1.00 . A A . 11 I4G C 1 1 7 2058 1 1 11 . CA C 1.838 -0.007 3.403 1.00 . A A . 11 I4G CA 1 1 7 2059 1 1 11 . CB C 0.159 0.454 1.652 1.00 . A A . 11 I4G CB 1 1 7 2060 1 1 11 . CD1 C -1.837 0.327 3.248 1.00 . A A . 11 I4G CD1 1 1 7 2061 1 1 11 . CD2 C -0.508 2.463 3.034 1.00 . A A . 11 I4G CD2 1 1 7 2062 1 1 11 . CG C -1.029 1.225 2.279 1.00 . A A . 11 I4G CG 1 1 7 2063 1 1 11 . HA2 H 2.253 -0.782 3.879 1.00 . A A . 11 I4G HA2 1 1 7 2064 1 1 11 . HA3 H 1.450 0.627 4.072 1.00 . A A . 11 I4G HA3 1 1 7 2065 1 1 11 . HB2 H -0.146 -0.041 0.838 1.00 . A A . 11 I4G HB2 1 1 7 2066 1 1 11 . HB3 H 0.887 1.092 1.401 1.00 . A A . 11 I4G HB3 1 1 7 2067 1 1 11 . HD11 H -2.652 0.892 3.704 1.00 . A A . 11 I4G HD11 1 1 7 2068 1 1 11 . HD12 H -2.268 -0.522 2.718 1.00 . A A . 11 I4G HD12 1 1 7 2069 1 1 11 . HD13 H -1.192 -0.056 4.042 1.00 . A A . 11 I4G HD13 1 1 7 2070 1 1 11 . HD21 H -1.336 3.032 3.463 1.00 . A A . 11 I4G HD21 1 1 7 2071 1 1 11 . HD22 H 0.165 2.168 3.843 1.00 . A A . 11 I4G HD22 1 1 7 2072 1 1 11 . HD23 H 0.040 3.122 2.357 1.00 . A A . 11 I4G HD23 1 1 7 2073 1 1 11 . HG H -1.695 1.568 1.485 1.00 . A A . 11 I4G HG 1 1 7 2074 1 1 11 . N N 0.726 -0.528 2.587 1.00 . A A . 11 I4G N 1 1 7 2075 1 1 11 . O O 3.482 1.713 3.063 1.00 . A A . 11 I4G O 1 1 7 2076 1 1 12 HIS C C 3.476 1.587 -0.582 1.00 . A A . 12 HIS C 1 1 7 2077 1 1 12 HIS CA C 4.157 0.800 0.534 1.00 . A A . 12 HIS CA 1 1 7 2078 1 1 12 HIS CB C 5.058 -0.280 -0.065 1.00 . A A . 12 HIS CB 1 1 7 2079 1 1 12 HIS CD2 C 3.293 -1.490 -1.530 1.00 . A A . 12 HIS CD2 1 1 7 2080 1 1 12 HIS CE1 C 4.445 -1.603 -3.392 1.00 . A A . 12 HIS CE1 1 1 7 2081 1 1 12 HIS CG C 4.495 -0.912 -1.300 1.00 . A A . 12 HIS CG 1 1 7 2082 1 1 12 HIS H H 2.684 -0.597 1.131 1.00 . A A . 12 HIS H 1 1 7 2083 1 1 12 HIS HA H 4.762 1.478 1.117 1.00 . A A . 12 HIS HA 1 1 7 2084 1 1 12 HIS HB2 H 6.011 0.157 -0.321 1.00 . A A . 12 HIS HB2 1 1 7 2085 1 1 12 HIS HB3 H 5.209 -1.060 0.668 1.00 . A A . 12 HIS HB3 1 1 7 2086 1 1 12 HIS HD1 H 6.102 -0.669 -2.640 1.00 . A A . 12 HIS HD1 1 1 7 2087 1 1 12 HIS HD2 H 2.485 -1.599 -0.818 1.00 . A A . 12 HIS HD2 1 1 7 2088 1 1 12 HIS HE1 H 4.731 -1.811 -4.412 1.00 . A A . 12 HIS HE1 1 1 7 2089 1 1 12 HIS N N 3.170 0.201 1.424 1.00 . A A . 12 HIS N 1 1 7 2090 1 1 12 HIS ND1 N 5.193 -1.001 -2.486 1.00 . A A . 12 HIS ND1 1 1 7 2091 1 1 12 HIS NE2 N 3.286 -1.911 -2.838 1.00 . A A . 12 HIS NE2 1 1 7 2092 1 1 12 HIS O O 4.084 2.461 -1.200 1.00 . A A . 12 HIS O 1 1 7 2093 1 1 13 VAL C C 1.461 3.460 -1.673 1.00 . A A . 13 VAL C 1 1 7 2094 1 1 13 VAL CA C 1.446 1.948 -1.875 1.00 . A A . 13 VAL CA 1 1 7 2095 1 1 13 VAL CB C -0.015 1.461 -1.906 1.00 . A A . 13 VAL CB 1 1 7 2096 1 1 13 VAL CG1 C -0.836 2.296 -2.877 1.00 . A A . 13 VAL CG1 1 1 7 2097 1 1 13 VAL CG2 C -0.076 -0.013 -2.275 1.00 . A A . 13 VAL CG2 1 1 7 2098 1 1 13 VAL H H 1.779 0.566 -0.307 1.00 . A A . 13 VAL H 1 1 7 2099 1 1 13 VAL HA H 1.901 1.718 -2.828 1.00 . A A . 13 VAL HA 1 1 7 2100 1 1 13 VAL HB H -0.435 1.581 -0.918 1.00 . A A . 13 VAL HB 1 1 7 2101 1 1 13 VAL HG11 H -0.972 3.289 -2.472 1.00 . A A . 13 VAL HG11 1 1 7 2102 1 1 13 VAL HG12 H -0.321 2.359 -3.824 1.00 . A A . 13 VAL HG12 1 1 7 2103 1 1 13 VAL HG13 H -1.801 1.834 -3.022 1.00 . A A . 13 VAL HG13 1 1 7 2104 1 1 13 VAL HG21 H -0.658 -0.545 -1.536 1.00 . A A . 13 VAL HG21 1 1 7 2105 1 1 13 VAL HG22 H -0.539 -0.124 -3.245 1.00 . A A . 13 VAL HG22 1 1 7 2106 1 1 13 VAL HG23 H 0.924 -0.419 -2.306 1.00 . A A . 13 VAL HG23 1 1 7 2107 1 1 13 VAL N N 2.210 1.272 -0.834 1.00 . A A . 13 VAL N 1 1 7 2108 1 1 13 VAL O O 2.008 4.201 -2.490 1.00 . A A . 13 VAL O 1 1 7 2109 1 1 14 VAL C C 2.189 5.966 -0.340 1.00 . A A . 14 VAL C 1 1 7 2110 1 1 14 VAL CA C 0.804 5.334 -0.267 1.00 . A A . 14 VAL CA 1 1 7 2111 1 1 14 VAL CB C 0.213 5.580 1.134 1.00 . A A . 14 VAL CB 1 1 7 2112 1 1 14 VAL CG1 C 0.274 7.059 1.488 1.00 . A A . 14 VAL CG1 1 1 7 2113 1 1 14 VAL CG2 C -1.217 5.066 1.206 1.00 . A A . 14 VAL CG2 1 1 7 2114 1 1 14 VAL H H 0.440 3.271 0.035 1.00 . A A . 14 VAL H 1 1 7 2115 1 1 14 VAL HA H 0.162 5.811 -0.994 1.00 . A A . 14 VAL HA 1 1 7 2116 1 1 14 VAL HB H 0.806 5.036 1.853 1.00 . A A . 14 VAL HB 1 1 7 2117 1 1 14 VAL HG11 H -0.459 7.277 2.250 1.00 . A A . 14 VAL HG11 1 1 7 2118 1 1 14 VAL HG12 H 1.261 7.300 1.855 1.00 . A A . 14 VAL HG12 1 1 7 2119 1 1 14 VAL HG13 H 0.064 7.648 0.608 1.00 . A A . 14 VAL HG13 1 1 7 2120 1 1 14 VAL HG21 H -1.257 4.060 0.817 1.00 . A A . 14 VAL HG21 1 1 7 2121 1 1 14 VAL HG22 H -1.548 5.067 2.235 1.00 . A A . 14 VAL HG22 1 1 7 2122 1 1 14 VAL HG23 H -1.861 5.706 0.621 1.00 . A A . 14 VAL HG23 1 1 7 2123 1 1 14 VAL N N 0.858 3.912 -0.578 1.00 . A A . 14 VAL N 1 1 7 2124 1 1 14 VAL O O 2.329 7.146 -0.659 1.00 . A A . 14 VAL O 1 1 7 2125 1 1 15 GLY C C 5.012 6.055 -1.482 1.00 . A A . 15 GLY C 1 1 7 2126 1 1 15 GLY CA C 4.576 5.670 -0.082 1.00 . A A . 15 GLY CA 1 1 7 2127 1 1 15 GLY H H 3.042 4.238 0.203 1.00 . A A . 15 GLY H 1 1 7 2128 1 1 15 GLY HA2 H 4.648 6.537 0.557 1.00 . A A . 15 GLY HA2 1 1 7 2129 1 1 15 GLY HA3 H 5.237 4.903 0.290 1.00 . A A . 15 GLY HA3 1 1 7 2130 1 1 15 GLY N N 3.213 5.171 -0.044 1.00 . A A . 15 GLY N 1 1 7 2131 1 1 15 GLY O O 5.809 6.977 -1.659 1.00 . A A . 15 GLY O 1 1 7 2132 1 1 16 ALA C C 3.804 6.546 -4.514 1.00 . A A . 16 ALA C 1 1 7 2133 1 1 16 ALA CA C 4.831 5.621 -3.870 1.00 . A A . 16 ALA CA 1 1 7 2134 1 1 16 ALA CB C 4.939 4.321 -4.652 1.00 . A A . 16 ALA CB 1 1 7 2135 1 1 16 ALA H H 3.860 4.626 -2.274 1.00 . A A . 16 ALA H 1 1 7 2136 1 1 16 ALA HA H 5.798 6.104 -3.887 1.00 . A A . 16 ALA HA 1 1 7 2137 1 1 16 ALA HB1 H 5.945 3.937 -4.574 1.00 . A A . 16 ALA HB1 1 1 7 2138 1 1 16 ALA HB2 H 4.245 3.600 -4.248 1.00 . A A . 16 ALA HB2 1 1 7 2139 1 1 16 ALA HB3 H 4.704 4.505 -5.689 1.00 . A A . 16 ALA HB3 1 1 7 2140 1 1 16 ALA N N 4.490 5.348 -2.479 1.00 . A A . 16 ALA N 1 1 7 2141 1 1 16 ALA O O 4.161 7.464 -5.254 1.00 . A A . 16 ALA O 1 1 7 2142 1 1 17 ILE C C 1.642 8.582 -4.439 1.00 . A A . 17 ILE C 1 1 7 2143 1 1 17 ILE CA C 1.453 7.108 -4.784 1.00 . A A . 17 ILE CA 1 1 7 2144 1 1 17 ILE CB C 0.078 6.643 -4.271 1.00 . A A . 17 ILE CB 1 1 7 2145 1 1 17 ILE CD1 C -0.268 4.966 -6.153 1.00 . A A . 17 ILE CD1 1 1 7 2146 1 1 17 ILE CG1 C -0.170 5.184 -4.660 1.00 . A A . 17 ILE CG1 1 1 7 2147 1 1 17 ILE CG2 C -1.023 7.538 -4.820 1.00 . A A . 17 ILE CG2 1 1 7 2148 1 1 17 ILE H H 2.311 5.551 -3.636 1.00 . A A . 17 ILE H 1 1 7 2149 1 1 17 ILE HA H 1.470 6.997 -5.859 1.00 . A A . 17 ILE HA 1 1 7 2150 1 1 17 ILE HB H 0.073 6.728 -3.194 1.00 . A A . 17 ILE HB 1 1 7 2151 1 1 17 ILE HD11 H -1.113 5.515 -6.543 1.00 . A A . 17 ILE HD11 1 1 7 2152 1 1 17 ILE HD12 H 0.637 5.311 -6.629 1.00 . A A . 17 ILE HD12 1 1 7 2153 1 1 17 ILE HD13 H -0.403 3.912 -6.354 1.00 . A A . 17 ILE HD13 1 1 7 2154 1 1 17 ILE HG12 H 0.640 4.577 -4.289 1.00 . A A . 17 ILE HG12 1 1 7 2155 1 1 17 ILE HG13 H -1.096 4.853 -4.213 1.00 . A A . 17 ILE HG13 1 1 7 2156 1 1 17 ILE HG21 H -1.963 7.007 -4.797 1.00 . A A . 17 ILE HG21 1 1 7 2157 1 1 17 ILE HG22 H -1.099 8.428 -4.214 1.00 . A A . 17 ILE HG22 1 1 7 2158 1 1 17 ILE HG23 H -0.790 7.813 -5.837 1.00 . A A . 17 ILE HG23 1 1 7 2159 1 1 17 ILE N N 2.531 6.297 -4.232 1.00 . A A . 17 ILE N 1 1 7 2160 1 1 17 ILE O O 1.343 9.462 -5.245 1.00 . A A . 17 ILE O 1 1 7 2161 1 1 18 ALA C C 3.575 10.823 -3.487 1.00 . A A . 18 ALA C 1 1 7 2162 1 1 18 ALA CA C 2.370 10.209 -2.782 1.00 . A A . 18 ALA CA 1 1 7 2163 1 1 18 ALA CB C 2.566 10.240 -1.274 1.00 . A A . 18 ALA CB 1 1 7 2164 1 1 18 ALA H H 2.357 8.098 -2.636 1.00 . A A . 18 ALA H 1 1 7 2165 1 1 18 ALA HA H 1.491 10.792 -3.019 1.00 . A A . 18 ALA HA 1 1 7 2166 1 1 18 ALA HB1 H 1.747 9.723 -0.795 1.00 . A A . 18 ALA HB1 1 1 7 2167 1 1 18 ALA HB2 H 3.496 9.753 -1.022 1.00 . A A . 18 ALA HB2 1 1 7 2168 1 1 18 ALA HB3 H 2.593 11.264 -0.936 1.00 . A A . 18 ALA HB3 1 1 7 2169 1 1 18 ALA N N 2.138 8.842 -3.234 1.00 . A A . 18 ALA N 1 1 7 2170 1 1 18 ALA O O 3.811 12.026 -3.395 1.00 . A A . 18 ALA O 1 1 7 2171 1 1 19 GLU C C 5.121 11.176 -6.191 1.00 . A A . 19 GLU C 1 1 7 2172 1 1 19 GLU CA C 5.515 10.450 -4.909 1.00 . A A . 19 GLU CA 1 1 7 2173 1 1 19 GLU CB C 6.433 9.271 -5.238 1.00 . A A . 19 GLU CB 1 1 7 2174 1 1 19 GLU CD C 8.384 9.592 -6.810 1.00 . A A . 19 GLU CD 1 1 7 2175 1 1 19 GLU CG C 7.896 9.657 -5.376 1.00 . A A . 19 GLU CG 1 1 7 2176 1 1 19 GLU H H 4.093 9.037 -4.226 1.00 . A A . 19 GLU H 1 1 7 2177 1 1 19 GLU HA H 6.045 11.137 -4.268 1.00 . A A . 19 GLU HA 1 1 7 2178 1 1 19 GLU HB2 H 6.349 8.534 -4.453 1.00 . A A . 19 GLU HB2 1 1 7 2179 1 1 19 GLU HB3 H 6.109 8.828 -6.170 1.00 . A A . 19 GLU HB3 1 1 7 2180 1 1 19 GLU HG2 H 8.023 10.667 -5.014 1.00 . A A . 19 GLU HG2 1 1 7 2181 1 1 19 GLU HG3 H 8.491 8.985 -4.777 1.00 . A A . 19 GLU HG3 1 1 7 2182 1 1 19 GLU N N 4.334 9.987 -4.189 1.00 . A A . 19 GLU N 1 1 7 2183 1 1 19 GLU O O 5.574 12.291 -6.450 1.00 . A A . 19 GLU O 1 1 7 2184 1 1 19 GLU OE1 O 8.181 10.577 -7.551 1.00 . A A . 19 GLU OE1 1 1 7 2185 1 1 19 GLU OE2 O 8.968 8.557 -7.192 1.00 . A A . 19 GLU OE2 1 1 7 2186 1 1 20 HIS C C 2.762 12.190 -7.998 1.00 . A A . 20 HIS C 1 1 7 2187 1 1 20 HIS CA C 3.820 11.120 -8.249 1.00 . A A . 20 HIS CA 1 1 7 2188 1 1 20 HIS CB C 3.258 10.034 -9.166 1.00 . A A . 20 HIS CB 1 1 7 2189 1 1 20 HIS CD2 C 1.181 8.929 -8.074 1.00 . A A . 20 HIS CD2 1 1 7 2190 1 1 20 HIS CE1 C -0.372 9.929 -9.255 1.00 . A A . 20 HIS CE1 1 1 7 2191 1 1 20 HIS CG C 1.803 9.758 -8.946 1.00 . A A . 20 HIS CG 1 1 7 2192 1 1 20 HIS H H 3.949 9.650 -6.731 1.00 . A A . 20 HIS H 1 1 7 2193 1 1 20 HIS HA H 4.672 11.579 -8.728 1.00 . A A . 20 HIS HA 1 1 7 2194 1 1 20 HIS HB2 H 3.385 10.340 -10.194 1.00 . A A . 20 HIS HB2 1 1 7 2195 1 1 20 HIS HB3 H 3.800 9.115 -9.000 1.00 . A A . 20 HIS HB3 1 1 7 2196 1 1 20 HIS HD1 H 0.933 11.028 -10.384 1.00 . A A . 20 HIS HD1 1 1 7 2197 1 1 20 HIS HD2 H 1.658 8.288 -7.346 1.00 . A A . 20 HIS HD2 1 1 7 2198 1 1 20 HIS HE1 H -1.334 10.232 -9.641 1.00 . A A . 20 HIS HE1 1 1 7 2199 1 1 20 HIS N N 4.275 10.535 -6.992 1.00 . A A . 20 HIS N 1 1 7 2200 1 1 20 HIS ND1 N 0.801 10.369 -9.671 1.00 . A A . 20 HIS ND1 1 1 7 2201 1 1 20 HIS NE2 N -0.170 9.053 -8.287 1.00 . A A . 20 HIS NE2 1 1 7 2202 1 1 20 HIS O O 2.567 13.089 -8.816 1.00 . A A . 20 HIS O 1 1 7 2203 1 1 21 PHE C C 1.404 13.791 -5.226 1.00 . A A . 21 PHE C 1 1 7 2204 1 1 21 PHE CA C 1.039 13.043 -6.505 1.00 . A A . 21 PHE CA 1 1 7 2205 1 1 21 PHE CB C -0.302 12.328 -6.326 1.00 . A A . 21 PHE CB 1 1 7 2206 1 1 21 PHE CD1 C -1.619 14.395 -6.864 1.00 . A A . 21 PHE CD1 1 1 7 2207 1 1 21 PHE CD2 C -2.355 12.315 -7.769 1.00 . A A . 21 PHE CD2 1 1 7 2208 1 1 21 PHE CE1 C -2.674 15.040 -7.482 1.00 . A A . 21 PHE CE1 1 1 7 2209 1 1 21 PHE CE2 C -3.411 12.954 -8.390 1.00 . A A . 21 PHE CE2 1 1 7 2210 1 1 21 PHE CG C -1.449 13.026 -7.000 1.00 . A A . 21 PHE CG 1 1 7 2211 1 1 21 PHE CZ C -3.570 14.319 -8.247 1.00 . A A . 21 PHE CZ 1 1 7 2212 1 1 21 PHE H H 2.280 11.347 -6.251 1.00 . A A . 21 PHE H 1 1 7 2213 1 1 21 PHE HA H 0.953 13.754 -7.312 1.00 . A A . 21 PHE HA 1 1 7 2214 1 1 21 PHE HB2 H -0.230 11.334 -6.741 1.00 . A A . 21 PHE HB2 1 1 7 2215 1 1 21 PHE HB3 H -0.527 12.259 -5.273 1.00 . A A . 21 PHE HB3 1 1 7 2216 1 1 21 PHE HD1 H -0.919 14.960 -6.267 1.00 . A A . 21 PHE HD1 1 1 7 2217 1 1 21 PHE HD2 H -2.231 11.247 -7.882 1.00 . A A . 21 PHE HD2 1 1 7 2218 1 1 21 PHE HE1 H -2.795 16.107 -7.369 1.00 . A A . 21 PHE HE1 1 1 7 2219 1 1 21 PHE HE2 H -4.110 12.388 -8.987 1.00 . A A . 21 PHE HE2 1 1 7 2220 1 1 21 PHE HZ H -4.396 14.821 -8.730 1.00 . A A . 21 PHE HZ 1 1 7 2221 1 1 21 PHE N N 2.079 12.085 -6.862 1.00 . A A . 21 PHE N 1 1 7 2222 1 1 21 PHE O O 0.573 14.080 -4.400 1.00 . A A . 21 PHE O 1 1 7 2223 1 1 22 NH2 HN1 H 3.488 13.862 -5.808 1.00 . A A . 22 NH2 HN1 1 1 7 2224 1 1 22 NH2 HN2 H 3.158 14.636 -4.228 1.00 . A A . 22 NH2 HN2 1 1 7 2225 1 1 22 NH2 N N 2.869 14.149 -5.056 1.00 . A A . 22 NH2 N 1 1 7 2226 2 2 1 UNX UNK . -13.158 0.444 -12.523 1.00 . B A . 100 UNX UNK 1 1 8 2227 1 1 1 GLY C C -3.840 -16.310 0.309 1.00 . A A . 1 GLY C 1 1 8 2228 1 1 1 GLY CA C -3.578 -17.522 1.180 1.00 . A A . 1 GLY CA 1 1 8 2229 1 1 1 GLY H1 H -2.685 -16.638 2.848 1.00 . A A . 1 GLY H1 1 1 8 2230 1 1 1 GLY H2 H -4.305 -16.785 2.995 1.00 . A A . 1 GLY H2 1 1 8 2231 1 1 1 GLY H3 H -3.357 -17.890 3.253 1.00 . A A . 1 GLY H3 1 1 8 2232 1 1 1 GLY HA2 H -2.653 -17.984 0.869 1.00 . A A . 1 GLY HA2 1 1 8 2233 1 1 1 GLY HA3 H -4.385 -18.228 1.046 1.00 . A A . 1 GLY HA3 1 1 8 2234 1 1 1 GLY N N -3.482 -17.182 2.588 1.00 . A A . 1 GLY N 1 1 8 2235 1 1 1 GLY O O -2.959 -15.865 -0.430 1.00 . A A . 1 GLY O 1 1 8 2236 1 1 2 LEU C C -4.848 -13.332 0.203 1.00 . A A . 2 LEU C 1 1 8 2237 1 1 2 LEU CA C -5.429 -14.607 -0.399 1.00 . A A . 2 LEU CA 1 1 8 2238 1 1 2 LEU CB C -6.952 -14.495 -0.487 1.00 . A A . 2 LEU CB 1 1 8 2239 1 1 2 LEU CD1 C -7.952 -14.857 -2.757 1.00 . A A . 2 LEU CD1 1 1 8 2240 1 1 2 LEU CD2 C -8.654 -12.888 -1.382 1.00 . A A . 2 LEU CD2 1 1 8 2241 1 1 2 LEU CG C -7.504 -13.817 -1.741 1.00 . A A . 2 LEU CG 1 1 8 2242 1 1 2 LEU H H -5.711 -16.173 0.996 1.00 . A A . 2 LEU H 1 1 8 2243 1 1 2 LEU HA H -5.028 -14.735 -1.393 1.00 . A A . 2 LEU HA 1 1 8 2244 1 1 2 LEU HB2 H -7.360 -15.493 -0.444 1.00 . A A . 2 LEU HB2 1 1 8 2245 1 1 2 LEU HB3 H -7.291 -13.933 0.372 1.00 . A A . 2 LEU HB3 1 1 8 2246 1 1 2 LEU HD11 H -8.599 -15.574 -2.275 1.00 . A A . 2 LEU HD11 1 1 8 2247 1 1 2 LEU HD12 H -7.088 -15.364 -3.159 1.00 . A A . 2 LEU HD12 1 1 8 2248 1 1 2 LEU HD13 H -8.489 -14.369 -3.558 1.00 . A A . 2 LEU HD13 1 1 8 2249 1 1 2 LEU HD21 H -8.660 -12.045 -2.057 1.00 . A A . 2 LEU HD21 1 1 8 2250 1 1 2 LEU HD22 H -8.530 -12.536 -0.368 1.00 . A A . 2 LEU HD22 1 1 8 2251 1 1 2 LEU HD23 H -9.589 -13.423 -1.467 1.00 . A A . 2 LEU HD23 1 1 8 2252 1 1 2 LEU HG H -6.722 -13.223 -2.195 1.00 . A A . 2 LEU HG 1 1 8 2253 1 1 2 LEU N N -5.052 -15.774 0.391 1.00 . A A . 2 LEU N 1 1 8 2254 1 1 2 LEU O O -4.034 -12.652 -0.422 1.00 . A A . 2 LEU O 1 1 8 2255 1 1 3 PHE C C -3.276 -11.868 2.290 1.00 . A A . 3 PHE C 1 1 8 2256 1 1 3 PHE CA C -4.791 -11.822 2.111 1.00 . A A . 3 PHE CA 1 1 8 2257 1 1 3 PHE CB C -5.472 -11.685 3.474 1.00 . A A . 3 PHE CB 1 1 8 2258 1 1 3 PHE CD1 C -7.597 -10.368 3.262 1.00 . A A . 3 PHE CD1 1 1 8 2259 1 1 3 PHE CD2 C -5.667 -9.272 4.133 1.00 . A A . 3 PHE CD2 1 1 8 2260 1 1 3 PHE CE1 C -8.325 -9.201 3.399 1.00 . A A . 3 PHE CE1 1 1 8 2261 1 1 3 PHE CE2 C -6.391 -8.102 4.273 1.00 . A A . 3 PHE CE2 1 1 8 2262 1 1 3 PHE CG C -6.261 -10.416 3.626 1.00 . A A . 3 PHE CG 1 1 8 2263 1 1 3 PHE CZ C -7.722 -8.068 3.906 1.00 . A A . 3 PHE CZ 1 1 8 2264 1 1 3 PHE H H -5.919 -13.596 1.871 1.00 . A A . 3 PHE H 1 1 8 2265 1 1 3 PHE HA H -5.043 -10.966 1.504 1.00 . A A . 3 PHE HA 1 1 8 2266 1 1 3 PHE HB2 H -6.148 -12.514 3.616 1.00 . A A . 3 PHE HB2 1 1 8 2267 1 1 3 PHE HB3 H -4.719 -11.703 4.248 1.00 . A A . 3 PHE HB3 1 1 8 2268 1 1 3 PHE HD1 H -8.071 -11.254 2.866 1.00 . A A . 3 PHE HD1 1 1 8 2269 1 1 3 PHE HD2 H -4.625 -9.297 4.420 1.00 . A A . 3 PHE HD2 1 1 8 2270 1 1 3 PHE HE1 H -9.366 -9.177 3.111 1.00 . A A . 3 PHE HE1 1 1 8 2271 1 1 3 PHE HE2 H -5.916 -7.217 4.669 1.00 . A A . 3 PHE HE2 1 1 8 2272 1 1 3 PHE HZ H -8.289 -7.155 4.014 1.00 . A A . 3 PHE HZ 1 1 8 2273 1 1 3 PHE N N -5.270 -13.014 1.423 1.00 . A A . 3 PHE N 1 1 8 2274 1 1 3 PHE O O -2.615 -10.833 2.348 1.00 . A A . 3 PHE O 1 1 8 2275 1 1 4 GLY C C -0.503 -12.454 1.526 1.00 . A A . 4 GLY C 1 1 8 2276 1 1 4 GLY CA C -1.301 -13.239 2.548 1.00 . A A . 4 GLY CA 1 1 8 2277 1 1 4 GLY H H -3.309 -13.870 2.324 1.00 . A A . 4 GLY H 1 1 8 2278 1 1 4 GLY HA2 H -1.028 -12.903 3.538 1.00 . A A . 4 GLY HA2 1 1 8 2279 1 1 4 GLY HA3 H -1.054 -14.286 2.453 1.00 . A A . 4 GLY HA3 1 1 8 2280 1 1 4 GLY N N -2.733 -13.079 2.376 1.00 . A A . 4 GLY N 1 1 8 2281 1 1 4 GLY O O 0.616 -12.019 1.802 1.00 . A A . 4 GLY O 1 1 8 2282 1 1 5 VAL C C -0.883 -10.086 -0.769 1.00 . A A . 5 VAL C 1 1 8 2283 1 1 5 VAL CA C -0.412 -11.535 -0.726 1.00 . A A . 5 VAL CA 1 1 8 2284 1 1 5 VAL CB C -0.664 -12.187 -2.099 1.00 . A A . 5 VAL CB 1 1 8 2285 1 1 5 VAL CG1 C 0.008 -11.383 -3.203 1.00 . A A . 5 VAL CG1 1 1 8 2286 1 1 5 VAL CG2 C -0.175 -13.627 -2.104 1.00 . A A . 5 VAL CG2 1 1 8 2287 1 1 5 VAL H H -1.970 -12.643 0.181 1.00 . A A . 5 VAL H 1 1 8 2288 1 1 5 VAL HA H 0.650 -11.553 -0.532 1.00 . A A . 5 VAL HA 1 1 8 2289 1 1 5 VAL HB H -1.729 -12.190 -2.284 1.00 . A A . 5 VAL HB 1 1 8 2290 1 1 5 VAL HG11 H 0.431 -12.059 -3.932 1.00 . A A . 5 VAL HG11 1 1 8 2291 1 1 5 VAL HG12 H -0.722 -10.746 -3.680 1.00 . A A . 5 VAL HG12 1 1 8 2292 1 1 5 VAL HG13 H 0.794 -10.776 -2.778 1.00 . A A . 5 VAL HG13 1 1 8 2293 1 1 5 VAL HG21 H 0.751 -13.694 -1.552 1.00 . A A . 5 VAL HG21 1 1 8 2294 1 1 5 VAL HG22 H -0.917 -14.261 -1.639 1.00 . A A . 5 VAL HG22 1 1 8 2295 1 1 5 VAL HG23 H -0.013 -13.949 -3.121 1.00 . A A . 5 VAL HG23 1 1 8 2296 1 1 5 VAL N N -1.078 -12.273 0.341 1.00 . A A . 5 VAL N 1 1 8 2297 1 1 5 VAL O O -0.176 -9.206 -1.260 1.00 . A A . 5 VAL O 1 1 8 2298 1 1 6 LEU C C -1.687 -7.514 0.426 1.00 . A A . 6 LEU C 1 1 8 2299 1 1 6 LEU CA C -2.649 -8.499 -0.230 1.00 . A A . 6 LEU CA 1 1 8 2300 1 1 6 LEU CB C -3.984 -8.500 0.517 1.00 . A A . 6 LEU CB 1 1 8 2301 1 1 6 LEU CD1 C -6.456 -8.914 0.553 1.00 . A A . 6 LEU CD1 1 1 8 2302 1 1 6 LEU CD2 C -5.429 -7.665 -1.354 1.00 . A A . 6 LEU CD2 1 1 8 2303 1 1 6 LEU CG C -5.228 -8.772 -0.331 1.00 . A A . 6 LEU CG 1 1 8 2304 1 1 6 LEU H H -2.600 -10.586 0.125 1.00 . A A . 6 LEU H 1 1 8 2305 1 1 6 LEU HA H -2.817 -8.194 -1.251 1.00 . A A . 6 LEU HA 1 1 8 2306 1 1 6 LEU HB2 H -3.935 -9.258 1.283 1.00 . A A . 6 LEU HB2 1 1 8 2307 1 1 6 LEU HB3 H -4.104 -7.531 0.980 1.00 . A A . 6 LEU HB3 1 1 8 2308 1 1 6 LEU HD11 H -6.747 -9.952 0.603 1.00 . A A . 6 LEU HD11 1 1 8 2309 1 1 6 LEU HD12 H -7.267 -8.333 0.139 1.00 . A A . 6 LEU HD12 1 1 8 2310 1 1 6 LEU HD13 H -6.228 -8.556 1.546 1.00 . A A . 6 LEU HD13 1 1 8 2311 1 1 6 LEU HD21 H -4.753 -7.815 -2.184 1.00 . A A . 6 LEU HD21 1 1 8 2312 1 1 6 LEU HD22 H -5.225 -6.708 -0.893 1.00 . A A . 6 LEU HD22 1 1 8 2313 1 1 6 LEU HD23 H -6.447 -7.684 -1.711 1.00 . A A . 6 LEU HD23 1 1 8 2314 1 1 6 LEU HG H -5.092 -9.703 -0.866 1.00 . A A . 6 LEU HG 1 1 8 2315 1 1 6 LEU N N -2.082 -9.844 -0.251 1.00 . A A . 6 LEU N 1 1 8 2316 1 1 6 LEU O O -1.707 -6.321 0.128 1.00 . A A . 6 LEU O 1 1 8 2317 1 1 7 ALA C C 1.072 -6.510 1.028 1.00 . A A . 7 ALA C 1 1 8 2318 1 1 7 ALA CA C 0.128 -7.188 2.014 1.00 . A A . 7 ALA CA 1 1 8 2319 1 1 7 ALA CB C 0.914 -8.018 3.018 1.00 . A A . 7 ALA CB 1 1 8 2320 1 1 7 ALA H H -0.878 -8.982 1.516 1.00 . A A . 7 ALA H 1 1 8 2321 1 1 7 ALA HA H -0.414 -6.428 2.560 1.00 . A A . 7 ALA HA 1 1 8 2322 1 1 7 ALA HB1 H 1.801 -7.477 3.314 1.00 . A A . 7 ALA HB1 1 1 8 2323 1 1 7 ALA HB2 H 0.301 -8.209 3.885 1.00 . A A . 7 ALA HB2 1 1 8 2324 1 1 7 ALA HB3 H 1.200 -8.955 2.564 1.00 . A A . 7 ALA HB3 1 1 8 2325 1 1 7 ALA N N -0.845 -8.023 1.319 1.00 . A A . 7 ALA N 1 1 8 2326 1 1 7 ALA O O 1.610 -5.437 1.304 1.00 . A A . 7 ALA O 1 1 8 2327 1 1 8 LYS C C 1.656 -5.242 -1.632 1.00 . A A . 8 LYS C 1 1 8 2328 1 1 8 LYS CA C 2.153 -6.602 -1.151 1.00 . A A . 8 LYS CA 1 1 8 2329 1 1 8 LYS CB C 2.247 -7.570 -2.333 1.00 . A A . 8 LYS CB 1 1 8 2330 1 1 8 LYS CD C 3.611 -7.867 -4.421 1.00 . A A . 8 LYS CD 1 1 8 2331 1 1 8 LYS CE C 3.555 -6.528 -5.141 1.00 . A A . 8 LYS CE 1 1 8 2332 1 1 8 LYS CG C 3.646 -7.687 -2.912 1.00 . A A . 8 LYS CG 1 1 8 2333 1 1 8 LYS H H 0.817 -7.995 -0.284 1.00 . A A . 8 LYS H 1 1 8 2334 1 1 8 LYS HA H 3.134 -6.479 -0.717 1.00 . A A . 8 LYS HA 1 1 8 2335 1 1 8 LYS HB2 H 1.933 -8.549 -2.005 1.00 . A A . 8 LYS HB2 1 1 8 2336 1 1 8 LYS HB3 H 1.583 -7.230 -3.114 1.00 . A A . 8 LYS HB3 1 1 8 2337 1 1 8 LYS HD2 H 4.500 -8.394 -4.733 1.00 . A A . 8 LYS HD2 1 1 8 2338 1 1 8 LYS HD3 H 2.736 -8.445 -4.685 1.00 . A A . 8 LYS HD3 1 1 8 2339 1 1 8 LYS HE2 H 3.741 -5.741 -4.425 1.00 . A A . 8 LYS HE2 1 1 8 2340 1 1 8 LYS HE3 H 4.322 -6.511 -5.902 1.00 . A A . 8 LYS HE3 1 1 8 2341 1 1 8 LYS HG2 H 4.199 -6.788 -2.680 1.00 . A A . 8 LYS HG2 1 1 8 2342 1 1 8 LYS HG3 H 4.140 -8.540 -2.468 1.00 . A A . 8 LYS HG3 1 1 8 2343 1 1 8 LYS HZ1 H 1.777 -7.208 -6.000 1.00 . A A . 8 LYS HZ1 1 1 8 2344 1 1 8 LYS HZ2 H 2.351 -5.763 -6.666 1.00 . A A . 8 LYS HZ2 1 1 8 2345 1 1 8 LYS HZ3 H 1.613 -5.758 -5.143 1.00 . A A . 8 LYS HZ3 1 1 8 2346 1 1 8 LYS N N 1.273 -7.143 -0.122 1.00 . A A . 8 LYS N 1 1 8 2347 1 1 8 LYS NZ N 2.231 -6.298 -5.782 1.00 . A A . 8 LYS NZ 1 1 8 2348 1 1 8 LYS O O 2.408 -4.468 -2.224 1.00 . A A . 8 LYS O 1 1 8 2349 1 1 9 VAL C C -0.911 -3.011 -0.604 1.00 . A A . 9 VAL C 1 1 8 2350 1 1 9 VAL CA C -0.213 -3.690 -1.777 1.00 . A A . 9 VAL CA 1 1 8 2351 1 1 9 VAL CB C -1.228 -3.887 -2.920 1.00 . A A . 9 VAL CB 1 1 8 2352 1 1 9 VAL CG1 C -1.536 -2.559 -3.595 1.00 . A A . 9 VAL CG1 1 1 8 2353 1 1 9 VAL CG2 C -0.705 -4.899 -3.928 1.00 . A A . 9 VAL CG2 1 1 8 2354 1 1 9 VAL H H -0.166 -5.614 -0.897 1.00 . A A . 9 VAL H 1 1 8 2355 1 1 9 VAL HA H 0.578 -3.047 -2.134 1.00 . A A . 9 VAL HA 1 1 8 2356 1 1 9 VAL HB H -2.144 -4.272 -2.497 1.00 . A A . 9 VAL HB 1 1 8 2357 1 1 9 VAL HG11 H -2.055 -2.741 -4.526 1.00 . A A . 9 VAL HG11 1 1 8 2358 1 1 9 VAL HG12 H -2.158 -1.960 -2.946 1.00 . A A . 9 VAL HG12 1 1 8 2359 1 1 9 VAL HG13 H -0.613 -2.035 -3.796 1.00 . A A . 9 VAL HG13 1 1 8 2360 1 1 9 VAL HG21 H -1.027 -4.617 -4.919 1.00 . A A . 9 VAL HG21 1 1 8 2361 1 1 9 VAL HG22 H 0.374 -4.918 -3.892 1.00 . A A . 9 VAL HG22 1 1 8 2362 1 1 9 VAL HG23 H -1.091 -5.879 -3.688 1.00 . A A . 9 VAL HG23 1 1 8 2363 1 1 9 VAL N N 0.384 -4.957 -1.373 1.00 . A A . 9 VAL N 1 1 8 2364 1 1 9 VAL O O -2.034 -2.525 -0.733 1.00 . A A . 9 VAL O 1 1 8 2365 1 1 10 ALA C C 0.315 -1.948 2.704 1.00 . A A . 10 ALA C 1 1 8 2366 1 1 10 ALA CA C -0.791 -2.360 1.738 1.00 . A A . 10 ALA CA 1 1 8 2367 1 1 10 ALA CB C -1.766 -3.307 2.421 1.00 . A A . 10 ALA CB 1 1 8 2368 1 1 10 ALA H H 0.655 -3.386 0.581 1.00 . A A . 10 ALA H 1 1 8 2369 1 1 10 ALA HA H -1.336 -1.477 1.434 1.00 . A A . 10 ALA HA 1 1 8 2370 1 1 10 ALA HB1 H -2.776 -2.954 2.268 1.00 . A A . 10 ALA HB1 1 1 8 2371 1 1 10 ALA HB2 H -1.662 -4.296 1.999 1.00 . A A . 10 ALA HB2 1 1 8 2372 1 1 10 ALA HB3 H -1.553 -3.342 3.478 1.00 . A A . 10 ALA HB3 1 1 8 2373 1 1 10 ALA N N -0.237 -2.981 0.541 1.00 . A A . 10 ALA N 1 1 8 2374 1 1 10 ALA O O 0.770 -2.790 3.453 1.00 . A A . 10 ALA O 1 1 8 2375 1 1 11 . C C 2.944 0.775 2.592 1.00 . A A . 11 I4G C 1 1 8 2376 1 1 11 . CA C 1.900 0.058 3.413 1.00 . A A . 11 I4G CA 1 1 8 2377 1 1 11 . CB C 0.167 0.497 1.710 1.00 . A A . 11 I4G CB 1 1 8 2378 1 1 11 . CD1 C -1.778 0.402 3.371 1.00 . A A . 11 I4G CD1 1 1 8 2379 1 1 11 . CD2 C -0.447 2.528 3.085 1.00 . A A . 11 I4G CD2 1 1 8 2380 1 1 11 . CG C -0.997 1.282 2.365 1.00 . A A . 11 I4G CG 1 1 8 2381 1 1 11 . HA2 H 2.334 -0.714 3.879 1.00 . A A . 11 I4G HA2 1 1 8 2382 1 1 11 . HA3 H 1.534 0.694 4.092 1.00 . A A . 11 I4G HA3 1 1 8 2383 1 1 11 . HB2 H -0.166 -0.010 0.914 1.00 . A A . 11 I4G HB2 1 1 8 2384 1 1 11 . HB3 H 0.888 1.128 1.425 1.00 . A A . 11 I4G HB3 1 1 8 2385 1 1 11 . HD11 H -2.574 0.977 3.846 1.00 . A A . 11 I4G HD11 1 1 8 2386 1 1 11 . HD12 H -2.229 -0.453 2.867 1.00 . A A . 11 I4G HD12 1 1 8 2387 1 1 11 . HD13 H -1.108 0.027 4.149 1.00 . A A . 11 I4G HD13 1 1 8 2388 1 1 11 . HD21 H -1.259 3.106 3.532 1.00 . A A . 11 I4G HD21 1 1 8 2389 1 1 11 . HD22 H 0.251 2.242 3.876 1.00 . A A . 11 I4G HD22 1 1 8 2390 1 1 11 . HD23 H 0.082 3.175 2.381 1.00 . A A . 11 I4G HD23 1 1 8 2391 1 1 11 . HG H -1.688 1.618 1.587 1.00 . A A . 11 I4G HG 1 1 8 2392 1 1 11 . N N 0.762 -0.472 2.641 1.00 . A A . 11 I4G N 1 1 8 2393 1 1 11 . O O 3.513 1.789 2.996 1.00 . A A . 11 I4G O 1 1 8 2394 1 1 12 HIS C C 3.407 1.606 -0.638 1.00 . A A . 12 HIS C 1 1 8 2395 1 1 12 HIS CA C 4.128 0.838 0.465 1.00 . A A . 12 HIS CA 1 1 8 2396 1 1 12 HIS CB C 5.018 -0.245 -0.147 1.00 . A A . 12 HIS CB 1 1 8 2397 1 1 12 HIS CD2 C 3.234 -1.468 -1.577 1.00 . A A . 12 HIS CD2 1 1 8 2398 1 1 12 HIS CE1 C 4.345 -1.559 -3.465 1.00 . A A . 12 HIS CE1 1 1 8 2399 1 1 12 HIS CG C 4.434 -0.876 -1.372 1.00 . A A . 12 HIS CG 1 1 8 2400 1 1 12 HIS H H 2.689 -0.565 1.130 1.00 . A A . 12 HIS H 1 1 8 2401 1 1 12 HIS HA H 4.746 1.528 1.021 1.00 . A A . 12 HIS HA 1 1 8 2402 1 1 12 HIS HB2 H 5.967 0.191 -0.419 1.00 . A A . 12 HIS HB2 1 1 8 2403 1 1 12 HIS HB3 H 5.180 -1.024 0.585 1.00 . A A . 12 HIS HB3 1 1 8 2404 1 1 12 HIS HD1 H 6.007 -0.609 -2.747 1.00 . A A . 12 HIS HD1 1 1 8 2405 1 1 12 HIS HD2 H 2.445 -1.590 -0.848 1.00 . A A . 12 HIS HD2 1 1 8 2406 1 1 12 HIS HE1 H 4.609 -1.759 -4.493 1.00 . A A . 12 HIS HE1 1 1 8 2407 1 1 12 HIS N N 3.173 0.245 1.394 1.00 . A A . 12 HIS N 1 1 8 2408 1 1 12 HIS ND1 N 5.106 -0.952 -2.574 1.00 . A A . 12 HIS ND1 1 1 8 2409 1 1 12 HIS NE2 N 3.202 -1.884 -2.886 1.00 . A A . 12 HIS NE2 1 1 8 2410 1 1 12 HIS O O 3.990 2.475 -1.288 1.00 . A A . 12 HIS O 1 1 8 2411 1 1 13 VAL C C 1.339 3.448 -1.687 1.00 . A A . 13 VAL C 1 1 8 2412 1 1 13 VAL CA C 1.336 1.935 -1.874 1.00 . A A . 13 VAL CA 1 1 8 2413 1 1 13 VAL CB C -0.120 1.431 -1.859 1.00 . A A . 13 VAL CB 1 1 8 2414 1 1 13 VAL CG1 C -0.969 2.222 -2.841 1.00 . A A . 13 VAL CG1 1 1 8 2415 1 1 13 VAL CG2 C -0.171 -0.057 -2.174 1.00 . A A . 13 VAL CG2 1 1 8 2416 1 1 13 VAL H H 1.727 0.576 -0.299 1.00 . A A . 13 VAL H 1 1 8 2417 1 1 13 VAL HA H 1.766 1.700 -2.836 1.00 . A A . 13 VAL HA 1 1 8 2418 1 1 13 VAL HB H -0.522 1.580 -0.867 1.00 . A A . 13 VAL HB 1 1 8 2419 1 1 13 VAL HG11 H -0.475 2.252 -3.802 1.00 . A A . 13 VAL HG11 1 1 8 2420 1 1 13 VAL HG12 H -1.934 1.747 -2.948 1.00 . A A . 13 VAL HG12 1 1 8 2421 1 1 13 VAL HG13 H -1.101 3.228 -2.474 1.00 . A A . 13 VAL HG13 1 1 8 2422 1 1 13 VAL HG21 H 0.206 -0.226 -3.172 1.00 . A A . 13 VAL HG21 1 1 8 2423 1 1 13 VAL HG22 H 0.439 -0.597 -1.464 1.00 . A A . 13 VAL HG22 1 1 8 2424 1 1 13 VAL HG23 H -1.191 -0.404 -2.110 1.00 . A A . 13 VAL HG23 1 1 8 2425 1 1 13 VAL N N 2.136 1.277 -0.848 1.00 . A A . 13 VAL N 1 1 8 2426 1 1 13 VAL O O 1.839 4.188 -2.535 1.00 . A A . 13 VAL O 1 1 8 2427 1 1 14 VAL C C 2.098 5.969 -0.367 1.00 . A A . 14 VAL C 1 1 8 2428 1 1 14 VAL CA C 0.719 5.328 -0.271 1.00 . A A . 14 VAL CA 1 1 8 2429 1 1 14 VAL CB C 0.143 5.583 1.134 1.00 . A A . 14 VAL CB 1 1 8 2430 1 1 14 VAL CG1 C 0.190 7.065 1.471 1.00 . A A . 14 VAL CG1 1 1 8 2431 1 1 14 VAL CG2 C -1.280 5.051 1.232 1.00 . A A . 14 VAL CG2 1 1 8 2432 1 1 14 VAL H H 0.397 3.264 0.067 1.00 . A A . 14 VAL H 1 1 8 2433 1 1 14 VAL HA H 0.065 5.794 -0.994 1.00 . A A . 14 VAL HA 1 1 8 2434 1 1 14 VAL HB H 0.752 5.053 1.852 1.00 . A A . 14 VAL HB 1 1 8 2435 1 1 14 VAL HG11 H 0.111 7.643 0.562 1.00 . A A . 14 VAL HG11 1 1 8 2436 1 1 14 VAL HG12 H -0.630 7.312 2.129 1.00 . A A . 14 VAL HG12 1 1 8 2437 1 1 14 VAL HG13 H 1.126 7.293 1.961 1.00 . A A . 14 VAL HG13 1 1 8 2438 1 1 14 VAL HG21 H -1.518 4.849 2.265 1.00 . A A . 14 VAL HG21 1 1 8 2439 1 1 14 VAL HG22 H -1.967 5.787 0.841 1.00 . A A . 14 VAL HG22 1 1 8 2440 1 1 14 VAL HG23 H -1.365 4.140 0.657 1.00 . A A . 14 VAL HG23 1 1 8 2441 1 1 14 VAL N N 0.779 3.902 -0.570 1.00 . A A . 14 VAL N 1 1 8 2442 1 1 14 VAL O O 2.227 7.142 -0.712 1.00 . A A . 14 VAL O 1 1 8 2443 1 1 15 GLY C C 4.939 5.987 -1.533 1.00 . A A . 15 GLY C 1 1 8 2444 1 1 15 GLY CA C 4.488 5.696 -0.115 1.00 . A A . 15 GLY CA 1 1 8 2445 1 1 15 GLY H H 2.967 4.260 0.211 1.00 . A A . 15 GLY H 1 1 8 2446 1 1 15 GLY HA2 H 4.544 6.606 0.462 1.00 . A A . 15 GLY HA2 1 1 8 2447 1 1 15 GLY HA3 H 5.152 4.964 0.318 1.00 . A A . 15 GLY HA3 1 1 8 2448 1 1 15 GLY N N 3.130 5.188 -0.058 1.00 . A A . 15 GLY N 1 1 8 2449 1 1 15 GLY O O 5.809 6.828 -1.755 1.00 . A A . 15 GLY O 1 1 8 2450 1 1 16 ALA C C 3.740 6.457 -4.573 1.00 . A A . 16 ALA C 1 1 8 2451 1 1 16 ALA CA C 4.691 5.475 -3.900 1.00 . A A . 16 ALA CA 1 1 8 2452 1 1 16 ALA CB C 4.678 4.140 -4.629 1.00 . A A . 16 ALA CB 1 1 8 2453 1 1 16 ALA H H 3.659 4.631 -2.256 1.00 . A A . 16 ALA H 1 1 8 2454 1 1 16 ALA HA H 5.695 5.872 -3.946 1.00 . A A . 16 ALA HA 1 1 8 2455 1 1 16 ALA HB1 H 4.436 3.352 -3.931 1.00 . A A . 16 ALA HB1 1 1 8 2456 1 1 16 ALA HB2 H 3.937 4.166 -5.413 1.00 . A A . 16 ALA HB2 1 1 8 2457 1 1 16 ALA HB3 H 5.651 3.954 -5.058 1.00 . A A . 16 ALA HB3 1 1 8 2458 1 1 16 ALA N N 4.346 5.287 -2.496 1.00 . A A . 16 ALA N 1 1 8 2459 1 1 16 ALA O O 4.172 7.383 -5.260 1.00 . A A . 16 ALA O 1 1 8 2460 1 1 17 ILE C C 1.659 8.574 -4.566 1.00 . A A . 17 ILE C 1 1 8 2461 1 1 17 ILE CA C 1.431 7.118 -4.960 1.00 . A A . 17 ILE CA 1 1 8 2462 1 1 17 ILE CB C 0.012 6.698 -4.533 1.00 . A A . 17 ILE CB 1 1 8 2463 1 1 17 ILE CD1 C -1.663 4.783 -4.612 1.00 . A A . 17 ILE CD1 1 1 8 2464 1 1 17 ILE CG1 C -0.276 5.264 -4.979 1.00 . A A . 17 ILE CG1 1 1 8 2465 1 1 17 ILE CG2 C -1.020 7.655 -5.111 1.00 . A A . 17 ILE CG2 1 1 8 2466 1 1 17 ILE H H 2.160 5.495 -3.815 1.00 . A A . 17 ILE H 1 1 8 2467 1 1 17 ILE HA H 1.501 7.032 -6.035 1.00 . A A . 17 ILE HA 1 1 8 2468 1 1 17 ILE HB H -0.046 6.751 -3.456 1.00 . A A . 17 ILE HB 1 1 8 2469 1 1 17 ILE HD11 H -1.813 4.894 -3.549 1.00 . A A . 17 ILE HD11 1 1 8 2470 1 1 17 ILE HD12 H -2.399 5.366 -5.144 1.00 . A A . 17 ILE HD12 1 1 8 2471 1 1 17 ILE HD13 H -1.765 3.741 -4.882 1.00 . A A . 17 ILE HD13 1 1 8 2472 1 1 17 ILE HG12 H -0.176 5.200 -6.051 1.00 . A A . 17 ILE HG12 1 1 8 2473 1 1 17 ILE HG13 H 0.439 4.600 -4.516 1.00 . A A . 17 ILE HG13 1 1 8 2474 1 1 17 ILE HG21 H -0.828 8.655 -4.747 1.00 . A A . 17 ILE HG21 1 1 8 2475 1 1 17 ILE HG22 H -0.956 7.647 -6.188 1.00 . A A . 17 ILE HG22 1 1 8 2476 1 1 17 ILE HG23 H -2.008 7.347 -4.806 1.00 . A A . 17 ILE HG23 1 1 8 2477 1 1 17 ILE N N 2.443 6.249 -4.372 1.00 . A A . 17 ILE N 1 1 8 2478 1 1 17 ILE O O 1.426 9.485 -5.359 1.00 . A A . 17 ILE O 1 1 8 2479 1 1 18 ALA C C 3.602 10.736 -3.521 1.00 . A A . 18 ALA C 1 1 8 2480 1 1 18 ALA CA C 2.382 10.127 -2.839 1.00 . A A . 18 ALA CA 1 1 8 2481 1 1 18 ALA CB C 2.576 10.102 -1.330 1.00 . A A . 18 ALA CB 1 1 8 2482 1 1 18 ALA H H 2.285 8.015 -2.751 1.00 . A A . 18 ALA H 1 1 8 2483 1 1 18 ALA HA H 1.518 10.739 -3.056 1.00 . A A . 18 ALA HA 1 1 8 2484 1 1 18 ALA HB1 H 3.210 9.269 -1.064 1.00 . A A . 18 ALA HB1 1 1 8 2485 1 1 18 ALA HB2 H 3.040 11.023 -1.011 1.00 . A A . 18 ALA HB2 1 1 8 2486 1 1 18 ALA HB3 H 1.617 9.994 -0.845 1.00 . A A . 18 ALA HB3 1 1 8 2487 1 1 18 ALA N N 2.118 8.783 -3.337 1.00 . A A . 18 ALA N 1 1 8 2488 1 1 18 ALA O O 3.823 11.944 -3.454 1.00 . A A . 18 ALA O 1 1 8 2489 1 1 19 GLU C C 5.227 11.144 -6.118 1.00 . A A . 19 GLU C 1 1 8 2490 1 1 19 GLU CA C 5.591 10.346 -4.869 1.00 . A A . 19 GLU CA 1 1 8 2491 1 1 19 GLU CB C 6.471 9.154 -5.250 1.00 . A A . 19 GLU CB 1 1 8 2492 1 1 19 GLU CD C 8.853 8.334 -5.055 1.00 . A A . 19 GLU CD 1 1 8 2493 1 1 19 GLU CG C 7.944 9.503 -5.381 1.00 . A A . 19 GLU CG 1 1 8 2494 1 1 19 GLU H H 4.163 8.937 -4.193 1.00 . A A . 19 GLU H 1 1 8 2495 1 1 19 GLU HA H 6.139 10.987 -4.196 1.00 . A A . 19 GLU HA 1 1 8 2496 1 1 19 GLU HB2 H 6.369 8.390 -4.493 1.00 . A A . 19 GLU HB2 1 1 8 2497 1 1 19 GLU HB3 H 6.131 8.758 -6.195 1.00 . A A . 19 GLU HB3 1 1 8 2498 1 1 19 GLU HG2 H 8.138 9.817 -6.397 1.00 . A A . 19 GLU HG2 1 1 8 2499 1 1 19 GLU HG3 H 8.171 10.315 -4.706 1.00 . A A . 19 GLU HG3 1 1 8 2500 1 1 19 GLU N N 4.392 9.890 -4.176 1.00 . A A . 19 GLU N 1 1 8 2501 1 1 19 GLU O O 5.701 12.263 -6.314 1.00 . A A . 19 GLU O 1 1 8 2502 1 1 19 GLU OE1 O 8.433 7.178 -5.273 1.00 . A A . 19 GLU OE1 1 1 8 2503 1 1 19 GLU OE2 O 9.983 8.575 -4.583 1.00 . A A . 19 GLU OE2 1 1 8 2504 1 1 20 HIS C C 2.909 12.287 -7.901 1.00 . A A . 20 HIS C 1 1 8 2505 1 1 20 HIS CA C 3.954 11.213 -8.193 1.00 . A A . 20 HIS CA 1 1 8 2506 1 1 20 HIS CB C 3.386 10.185 -9.171 1.00 . A A . 20 HIS CB 1 1 8 2507 1 1 20 HIS CD2 C 1.302 8.985 -8.199 1.00 . A A . 20 HIS CD2 1 1 8 2508 1 1 20 HIS CE1 C -0.246 10.147 -9.228 1.00 . A A . 20 HIS CE1 1 1 8 2509 1 1 20 HIS CG C 1.929 9.906 -8.969 1.00 . A A . 20 HIS CG 1 1 8 2510 1 1 20 HIS H H 4.038 9.665 -6.750 1.00 . A A . 20 HIS H 1 1 8 2511 1 1 20 HIS HA H 4.819 11.681 -8.637 1.00 . A A . 20 HIS HA 1 1 8 2512 1 1 20 HIS HB2 H 3.517 10.547 -10.180 1.00 . A A . 20 HIS HB2 1 1 8 2513 1 1 20 HIS HB3 H 3.923 9.254 -9.056 1.00 . A A . 20 HIS HB3 1 1 8 2514 1 1 20 HIS HD1 H 1.066 11.357 -10.228 1.00 . A A . 20 HIS HD1 1 1 8 2515 1 1 20 HIS HD2 H 1.776 8.252 -7.562 1.00 . A A . 20 HIS HD2 1 1 8 2516 1 1 20 HIS HE1 H -1.207 10.510 -9.562 1.00 . A A . 20 HIS HE1 1 1 8 2517 1 1 20 HIS N N 4.381 10.558 -6.961 1.00 . A A . 20 HIS N 1 1 8 2518 1 1 20 HIS ND1 N 0.931 10.617 -9.601 1.00 . A A . 20 HIS ND1 1 1 8 2519 1 1 20 HIS NE2 N -0.048 9.156 -8.378 1.00 . A A . 20 HIS NE2 1 1 8 2520 1 1 20 HIS O O 2.737 13.226 -8.679 1.00 . A A . 20 HIS O 1 1 8 2521 1 1 21 PHE C C 1.692 14.017 -5.278 1.00 . A A . 21 PHE C 1 1 8 2522 1 1 21 PHE CA C 1.186 13.097 -6.386 1.00 . A A . 21 PHE CA 1 1 8 2523 1 1 21 PHE CB C -0.072 12.362 -5.918 1.00 . A A . 21 PHE CB 1 1 8 2524 1 1 21 PHE CD1 C -1.579 14.355 -6.144 1.00 . A A . 21 PHE CD1 1 1 8 2525 1 1 21 PHE CD2 C -2.318 12.270 -7.034 1.00 . A A . 21 PHE CD2 1 1 8 2526 1 1 21 PHE CE1 C -2.754 14.953 -6.562 1.00 . A A . 21 PHE CE1 1 1 8 2527 1 1 21 PHE CE2 C -3.494 12.862 -7.454 1.00 . A A . 21 PHE CE2 1 1 8 2528 1 1 21 PHE CG C -1.349 13.009 -6.374 1.00 . A A . 21 PHE CG 1 1 8 2529 1 1 21 PHE CZ C -3.712 14.205 -7.219 1.00 . A A . 21 PHE CZ 1 1 8 2530 1 1 21 PHE H H 2.397 11.371 -6.200 1.00 . A A . 21 PHE H 1 1 8 2531 1 1 21 PHE HA H 0.943 13.694 -7.251 1.00 . A A . 21 PHE HA 1 1 8 2532 1 1 21 PHE HB2 H -0.056 11.353 -6.303 1.00 . A A . 21 PHE HB2 1 1 8 2533 1 1 21 PHE HB3 H -0.081 12.330 -4.839 1.00 . A A . 21 PHE HB3 1 1 8 2534 1 1 21 PHE HD1 H -0.831 14.941 -5.631 1.00 . A A . 21 PHE HD1 1 1 8 2535 1 1 21 PHE HD2 H -2.148 11.218 -7.220 1.00 . A A . 21 PHE HD2 1 1 8 2536 1 1 21 PHE HE1 H -2.921 16.003 -6.376 1.00 . A A . 21 PHE HE1 1 1 8 2537 1 1 21 PHE HE2 H -4.240 12.275 -7.968 1.00 . A A . 21 PHE HE2 1 1 8 2538 1 1 21 PHE HZ H -4.630 14.669 -7.546 1.00 . A A . 21 PHE HZ 1 1 8 2539 1 1 21 PHE N N 2.214 12.141 -6.778 1.00 . A A . 21 PHE N 1 1 8 2540 1 1 21 PHE O O 0.991 14.338 -4.350 1.00 . A A . 21 PHE O 1 1 8 2541 1 1 22 NH2 HN1 H 3.630 14.173 -6.232 1.00 . A A . 22 NH2 HN1 1 1 8 2542 1 1 22 NH2 HN2 H 3.502 15.103 -4.707 1.00 . A A . 22 NH2 HN2 1 1 8 2543 1 1 22 NH2 N N 3.123 14.500 -5.413 1.00 . A A . 22 NH2 N 1 1 8 2544 2 2 1 UNX UNK . -13.354 0.521 -12.323 1.00 . B A . 100 UNX UNK 1 1 9 2545 1 1 1 GLY C C -3.773 -16.300 0.339 1.00 . A A . 1 GLY C 1 1 9 2546 1 1 1 GLY CA C -3.495 -17.518 1.199 1.00 . A A . 1 GLY CA 1 1 9 2547 1 1 1 GLY H1 H -3.358 -17.276 3.269 1.00 . A A . 1 GLY H1 1 1 9 2548 1 1 1 GLY H2 H -4.758 -16.705 2.650 1.00 . A A . 1 GLY H2 1 1 9 2549 1 1 1 GLY H3 H -4.519 -18.135 2.946 1.00 . A A . 1 GLY H3 1 1 9 2550 1 1 1 GLY HA2 H -2.427 -17.663 1.265 1.00 . A A . 1 GLY HA2 1 1 9 2551 1 1 1 GLY HA3 H -3.938 -18.385 0.729 1.00 . A A . 1 GLY HA3 1 1 9 2552 1 1 1 GLY N N -4.034 -17.386 2.540 1.00 . A A . 1 GLY N 1 1 9 2553 1 1 1 GLY O O -2.892 -15.823 -0.376 1.00 . A A . 1 GLY O 1 1 9 2554 1 1 2 LEU C C -4.811 -13.354 0.229 1.00 . A A . 2 LEU C 1 1 9 2555 1 1 2 LEU CA C -5.394 -14.629 -0.372 1.00 . A A . 2 LEU CA 1 1 9 2556 1 1 2 LEU CB C -6.918 -14.526 -0.437 1.00 . A A . 2 LEU CB 1 1 9 2557 1 1 2 LEU CD1 C -9.016 -14.866 -1.768 1.00 . A A . 2 LEU CD1 1 1 9 2558 1 1 2 LEU CD2 C -7.309 -13.206 -2.534 1.00 . A A . 2 LEU CD2 1 1 9 2559 1 1 2 LEU CG C -7.532 -14.542 -1.838 1.00 . A A . 2 LEU CG 1 1 9 2560 1 1 2 LEU H H -5.659 -16.222 0.997 1.00 . A A . 2 LEU H 1 1 9 2561 1 1 2 LEU HA H -5.005 -14.752 -1.371 1.00 . A A . 2 LEU HA 1 1 9 2562 1 1 2 LEU HB2 H -7.331 -15.356 0.114 1.00 . A A . 2 LEU HB2 1 1 9 2563 1 1 2 LEU HB3 H -7.207 -13.600 0.040 1.00 . A A . 2 LEU HB3 1 1 9 2564 1 1 2 LEU HD11 H -9.588 -13.955 -1.844 1.00 . A A . 2 LEU HD11 1 1 9 2565 1 1 2 LEU HD12 H -9.233 -15.350 -0.827 1.00 . A A . 2 LEU HD12 1 1 9 2566 1 1 2 LEU HD13 H -9.279 -15.527 -2.581 1.00 . A A . 2 LEU HD13 1 1 9 2567 1 1 2 LEU HD21 H -6.271 -13.119 -2.820 1.00 . A A . 2 LEU HD21 1 1 9 2568 1 1 2 LEU HD22 H -7.565 -12.402 -1.859 1.00 . A A . 2 LEU HD22 1 1 9 2569 1 1 2 LEU HD23 H -7.931 -13.151 -3.414 1.00 . A A . 2 LEU HD23 1 1 9 2570 1 1 2 LEU HG H -7.050 -15.310 -2.427 1.00 . A A . 2 LEU HG 1 1 9 2571 1 1 2 LEU N N -5.001 -15.799 0.408 1.00 . A A . 2 LEU N 1 1 9 2572 1 1 2 LEU O O -3.987 -12.684 -0.392 1.00 . A A . 2 LEU O 1 1 9 2573 1 1 3 PHE C C -3.250 -11.875 2.303 1.00 . A A . 3 PHE C 1 1 9 2574 1 1 3 PHE CA C -4.766 -11.831 2.127 1.00 . A A . 3 PHE CA 1 1 9 2575 1 1 3 PHE CB C -5.445 -11.693 3.491 1.00 . A A . 3 PHE CB 1 1 9 2576 1 1 3 PHE CD1 C -7.505 -10.274 3.294 1.00 . A A . 3 PHE CD1 1 1 9 2577 1 1 3 PHE CD2 C -5.535 -9.290 4.209 1.00 . A A . 3 PHE CD2 1 1 9 2578 1 1 3 PHE CE1 C -8.180 -9.079 3.455 1.00 . A A . 3 PHE CE1 1 1 9 2579 1 1 3 PHE CE2 C -6.205 -8.092 4.373 1.00 . A A . 3 PHE CE2 1 1 9 2580 1 1 3 PHE CG C -6.176 -10.392 3.669 1.00 . A A . 3 PHE CG 1 1 9 2581 1 1 3 PHE CZ C -7.530 -7.987 3.997 1.00 . A A . 3 PHE CZ 1 1 9 2582 1 1 3 PHE H H -5.904 -13.600 1.886 1.00 . A A . 3 PHE H 1 1 9 2583 1 1 3 PHE HA H -5.021 -10.976 1.520 1.00 . A A . 3 PHE HA 1 1 9 2584 1 1 3 PHE HB2 H -6.158 -12.493 3.612 1.00 . A A . 3 PHE HB2 1 1 9 2585 1 1 3 PHE HB3 H -4.696 -11.762 4.267 1.00 . A A . 3 PHE HB3 1 1 9 2586 1 1 3 PHE HD1 H -8.016 -11.126 2.872 1.00 . A A . 3 PHE HD1 1 1 9 2587 1 1 3 PHE HD2 H -4.498 -9.371 4.505 1.00 . A A . 3 PHE HD2 1 1 9 2588 1 1 3 PHE HE1 H -9.215 -8.998 3.159 1.00 . A A . 3 PHE HE1 1 1 9 2589 1 1 3 PHE HE2 H -5.693 -7.240 4.797 1.00 . A A . 3 PHE HE2 1 1 9 2590 1 1 3 PHE HZ H -8.054 -7.051 4.123 1.00 . A A . 3 PHE HZ 1 1 9 2591 1 1 3 PHE N N -5.245 -13.025 1.442 1.00 . A A . 3 PHE N 1 1 9 2592 1 1 3 PHE O O -2.591 -10.839 2.357 1.00 . A A . 3 PHE O 1 1 9 2593 1 1 4 GLY C C -0.479 -12.459 1.536 1.00 . A A . 4 GLY C 1 1 9 2594 1 1 4 GLY CA C -1.274 -13.244 2.561 1.00 . A A . 4 GLY CA 1 1 9 2595 1 1 4 GLY H H -3.282 -13.877 2.342 1.00 . A A . 4 GLY H 1 1 9 2596 1 1 4 GLY HA2 H -0.999 -12.906 3.549 1.00 . A A . 4 GLY HA2 1 1 9 2597 1 1 4 GLY HA3 H -1.025 -14.291 2.468 1.00 . A A . 4 GLY HA3 1 1 9 2598 1 1 4 GLY N N -2.706 -13.085 2.391 1.00 . A A . 4 GLY N 1 1 9 2599 1 1 4 GLY O O 0.640 -12.023 1.808 1.00 . A A . 4 GLY O 1 1 9 2600 1 1 5 VAL C C -0.866 -10.094 -0.762 1.00 . A A . 5 VAL C 1 1 9 2601 1 1 5 VAL CA C -0.394 -11.544 -0.718 1.00 . A A . 5 VAL CA 1 1 9 2602 1 1 5 VAL CB C -0.647 -12.197 -2.089 1.00 . A A . 5 VAL CB 1 1 9 2603 1 1 5 VAL CG1 C 0.021 -11.395 -3.196 1.00 . A A . 5 VAL CG1 1 1 9 2604 1 1 5 VAL CG2 C -0.158 -13.637 -2.093 1.00 . A A . 5 VAL CG2 1 1 9 2605 1 1 5 VAL H H -1.949 -12.652 0.195 1.00 . A A . 5 VAL H 1 1 9 2606 1 1 5 VAL HA H 0.670 -11.560 -0.526 1.00 . A A . 5 VAL HA 1 1 9 2607 1 1 5 VAL HB H -1.712 -12.201 -2.272 1.00 . A A . 5 VAL HB 1 1 9 2608 1 1 5 VAL HG11 H 1.079 -11.314 -2.992 1.00 . A A . 5 VAL HG11 1 1 9 2609 1 1 5 VAL HG12 H -0.128 -11.893 -4.142 1.00 . A A . 5 VAL HG12 1 1 9 2610 1 1 5 VAL HG13 H -0.412 -10.406 -3.236 1.00 . A A . 5 VAL HG13 1 1 9 2611 1 1 5 VAL HG21 H -0.998 -14.304 -1.968 1.00 . A A . 5 VAL HG21 1 1 9 2612 1 1 5 VAL HG22 H 0.334 -13.848 -3.031 1.00 . A A . 5 VAL HG22 1 1 9 2613 1 1 5 VAL HG23 H 0.540 -13.782 -1.281 1.00 . A A . 5 VAL HG23 1 1 9 2614 1 1 5 VAL N N -1.056 -12.280 0.352 1.00 . A A . 5 VAL N 1 1 9 2615 1 1 5 VAL O O -0.159 -9.215 -1.255 1.00 . A A . 5 VAL O 1 1 9 2616 1 1 6 LEU C C -1.670 -7.522 0.431 1.00 . A A . 6 LEU C 1 1 9 2617 1 1 6 LEU CA C -2.632 -8.510 -0.222 1.00 . A A . 6 LEU CA 1 1 9 2618 1 1 6 LEU CB C -3.967 -8.510 0.527 1.00 . A A . 6 LEU CB 1 1 9 2619 1 1 6 LEU CD1 C -6.452 -8.829 0.552 1.00 . A A . 6 LEU CD1 1 1 9 2620 1 1 6 LEU CD2 C -5.369 -7.617 -1.349 1.00 . A A . 6 LEU CD2 1 1 9 2621 1 1 6 LEU CG C -5.215 -8.734 -0.327 1.00 . A A . 6 LEU CG 1 1 9 2622 1 1 6 LEU H H -2.580 -10.595 0.136 1.00 . A A . 6 LEU H 1 1 9 2623 1 1 6 LEU HA H -2.802 -8.206 -1.244 1.00 . A A . 6 LEU HA 1 1 9 2624 1 1 6 LEU HB2 H -3.929 -9.292 1.269 1.00 . A A . 6 LEU HB2 1 1 9 2625 1 1 6 LEU HB3 H -4.068 -7.553 1.020 1.00 . A A . 6 LEU HB3 1 1 9 2626 1 1 6 LEU HD11 H -6.573 -9.847 0.894 1.00 . A A . 6 LEU HD11 1 1 9 2627 1 1 6 LEU HD12 H -7.321 -8.535 -0.017 1.00 . A A . 6 LEU HD12 1 1 9 2628 1 1 6 LEU HD13 H -6.341 -8.174 1.403 1.00 . A A . 6 LEU HD13 1 1 9 2629 1 1 6 LEU HD21 H -5.168 -6.667 -0.877 1.00 . A A . 6 LEU HD21 1 1 9 2630 1 1 6 LEU HD22 H -6.379 -7.621 -1.735 1.00 . A A . 6 LEU HD22 1 1 9 2631 1 1 6 LEU HD23 H -4.673 -7.771 -2.159 1.00 . A A . 6 LEU HD23 1 1 9 2632 1 1 6 LEU HG H -5.114 -9.668 -0.863 1.00 . A A . 6 LEU HG 1 1 9 2633 1 1 6 LEU N N -2.064 -9.853 -0.242 1.00 . A A . 6 LEU N 1 1 9 2634 1 1 6 LEU O O -1.692 -6.329 0.131 1.00 . A A . 6 LEU O 1 1 9 2635 1 1 7 ALA C C 1.090 -6.515 1.027 1.00 . A A . 7 ALA C 1 1 9 2636 1 1 7 ALA CA C 0.147 -7.192 2.016 1.00 . A A . 7 ALA CA 1 1 9 2637 1 1 7 ALA CB C 0.936 -8.020 3.019 1.00 . A A . 7 ALA CB 1 1 9 2638 1 1 7 ALA H H -0.857 -8.988 1.521 1.00 . A A . 7 ALA H 1 1 9 2639 1 1 7 ALA HA H -0.394 -6.432 2.560 1.00 . A A . 7 ALA HA 1 1 9 2640 1 1 7 ALA HB1 H 1.095 -9.011 2.620 1.00 . A A . 7 ALA HB1 1 1 9 2641 1 1 7 ALA HB2 H 1.890 -7.548 3.203 1.00 . A A . 7 ALA HB2 1 1 9 2642 1 1 7 ALA HB3 H 0.383 -8.089 3.943 1.00 . A A . 7 ALA HB3 1 1 9 2643 1 1 7 ALA N N -0.825 -8.028 1.324 1.00 . A A . 7 ALA N 1 1 9 2644 1 1 7 ALA O O 1.627 -5.441 1.301 1.00 . A A . 7 ALA O 1 1 9 2645 1 1 8 LYS C C 1.667 -5.251 -1.637 1.00 . A A . 8 LYS C 1 1 9 2646 1 1 8 LYS CA C 2.166 -6.608 -1.154 1.00 . A A . 8 LYS CA 1 1 9 2647 1 1 8 LYS CB C 2.260 -7.578 -2.334 1.00 . A A . 8 LYS CB 1 1 9 2648 1 1 8 LYS CD C 3.884 -6.678 -4.026 1.00 . A A . 8 LYS CD 1 1 9 2649 1 1 8 LYS CE C 3.734 -7.312 -5.400 1.00 . A A . 8 LYS CE 1 1 9 2650 1 1 8 LYS CG C 3.657 -7.693 -2.918 1.00 . A A . 8 LYS CG 1 1 9 2651 1 1 8 LYS H H 0.832 -8.002 -0.284 1.00 . A A . 8 LYS H 1 1 9 2652 1 1 8 LYS HA H 3.148 -6.484 -0.722 1.00 . A A . 8 LYS HA 1 1 9 2653 1 1 8 LYS HB2 H 1.949 -8.558 -2.004 1.00 . A A . 8 LYS HB2 1 1 9 2654 1 1 8 LYS HB3 H 1.593 -7.242 -3.115 1.00 . A A . 8 LYS HB3 1 1 9 2655 1 1 8 LYS HD2 H 3.159 -5.883 -3.928 1.00 . A A . 8 LYS HD2 1 1 9 2656 1 1 8 LYS HD3 H 4.882 -6.273 -3.933 1.00 . A A . 8 LYS HD3 1 1 9 2657 1 1 8 LYS HE2 H 4.516 -8.045 -5.532 1.00 . A A . 8 LYS HE2 1 1 9 2658 1 1 8 LYS HE3 H 2.772 -7.799 -5.455 1.00 . A A . 8 LYS HE3 1 1 9 2659 1 1 8 LYS HG2 H 4.380 -7.521 -2.134 1.00 . A A . 8 LYS HG2 1 1 9 2660 1 1 8 LYS HG3 H 3.789 -8.688 -3.320 1.00 . A A . 8 LYS HG3 1 1 9 2661 1 1 8 LYS HZ1 H 4.384 -5.483 -6.170 1.00 . A A . 8 LYS HZ1 1 1 9 2662 1 1 8 LYS HZ2 H 2.879 -5.978 -6.761 1.00 . A A . 8 LYS HZ2 1 1 9 2663 1 1 8 LYS HZ3 H 4.293 -6.717 -7.323 1.00 . A A . 8 LYS HZ3 1 1 9 2664 1 1 8 LYS N N 1.288 -7.148 -0.124 1.00 . A A . 8 LYS N 1 1 9 2665 1 1 8 LYS NZ N 3.829 -6.302 -6.491 1.00 . A A . 8 LYS NZ 1 1 9 2666 1 1 8 LYS O O 2.417 -4.477 -2.234 1.00 . A A . 8 LYS O 1 1 9 2667 1 1 9 VAL C C -0.905 -3.023 -0.609 1.00 . A A . 9 VAL C 1 1 9 2668 1 1 9 VAL CA C -0.204 -3.700 -1.781 1.00 . A A . 9 VAL CA 1 1 9 2669 1 1 9 VAL CB C -1.217 -3.899 -2.925 1.00 . A A . 9 VAL CB 1 1 9 2670 1 1 9 VAL CG1 C -1.528 -2.572 -3.601 1.00 . A A . 9 VAL CG1 1 1 9 2671 1 1 9 VAL CG2 C -0.690 -4.910 -3.933 1.00 . A A . 9 VAL CG2 1 1 9 2672 1 1 9 VAL H H -0.153 -5.622 -0.897 1.00 . A A . 9 VAL H 1 1 9 2673 1 1 9 VAL HA H 0.586 -3.055 -2.136 1.00 . A A . 9 VAL HA 1 1 9 2674 1 1 9 VAL HB H -2.133 -4.286 -2.504 1.00 . A A . 9 VAL HB 1 1 9 2675 1 1 9 VAL HG11 H -2.157 -1.978 -2.954 1.00 . A A . 9 VAL HG11 1 1 9 2676 1 1 9 VAL HG12 H -0.606 -2.043 -3.795 1.00 . A A . 9 VAL HG12 1 1 9 2677 1 1 9 VAL HG13 H -2.042 -2.755 -4.532 1.00 . A A . 9 VAL HG13 1 1 9 2678 1 1 9 VAL HG21 H -0.980 -5.904 -3.629 1.00 . A A . 9 VAL HG21 1 1 9 2679 1 1 9 VAL HG22 H -1.102 -4.695 -4.907 1.00 . A A . 9 VAL HG22 1 1 9 2680 1 1 9 VAL HG23 H 0.387 -4.847 -3.976 1.00 . A A . 9 VAL HG23 1 1 9 2681 1 1 9 VAL N N 0.395 -4.965 -1.375 1.00 . A A . 9 VAL N 1 1 9 2682 1 1 9 VAL O O -2.030 -2.540 -0.739 1.00 . A A . 9 VAL O 1 1 9 2683 1 1 10 ALA C C 0.314 -1.953 2.700 1.00 . A A . 10 ALA C 1 1 9 2684 1 1 10 ALA CA C -0.789 -2.368 1.732 1.00 . A A . 10 ALA CA 1 1 9 2685 1 1 10 ALA CB C -1.763 -3.317 2.414 1.00 . A A . 10 ALA CB 1 1 9 2686 1 1 10 ALA H H 0.661 -3.390 0.578 1.00 . A A . 10 ALA H 1 1 9 2687 1 1 10 ALA HA H -1.336 -1.488 1.427 1.00 . A A . 10 ALA HA 1 1 9 2688 1 1 10 ALA HB1 H -2.452 -3.712 1.681 1.00 . A A . 10 ALA HB1 1 1 9 2689 1 1 10 ALA HB2 H -1.216 -4.129 2.870 1.00 . A A . 10 ALA HB2 1 1 9 2690 1 1 10 ALA HB3 H -2.314 -2.782 3.174 1.00 . A A . 10 ALA HB3 1 1 9 2691 1 1 10 ALA N N -0.232 -2.988 0.537 1.00 . A A . 10 ALA N 1 1 9 2692 1 1 10 ALA O O 0.772 -2.795 3.449 1.00 . A A . 10 ALA O 1 1 9 2693 1 1 11 . C C 2.936 0.777 2.590 1.00 . A A . 11 I4G C 1 1 9 2694 1 1 11 . CA C 1.892 0.057 3.410 1.00 . A A . 11 I4G CA 1 1 9 2695 1 1 11 . CB C 0.159 0.492 1.705 1.00 . A A . 11 I4G CB 1 1 9 2696 1 1 11 . CD1 C -1.786 0.390 3.364 1.00 . A A . 11 I4G CD1 1 1 9 2697 1 1 11 . CD2 C -0.462 2.521 3.079 1.00 . A A . 11 I4G CD2 1 1 9 2698 1 1 11 . CG C -1.008 1.273 2.359 1.00 . A A . 11 I4G CG 1 1 9 2699 1 1 11 . HA2 H 2.328 -0.713 3.877 1.00 . A A . 11 I4G HA2 1 1 9 2700 1 1 11 . HA3 H 1.524 0.693 4.088 1.00 . A A . 11 I4G HA3 1 1 9 2701 1 1 11 . HB2 H -0.172 -0.015 0.909 1.00 . A A . 11 I4G HB2 1 1 9 2702 1 1 11 . HB3 H 0.879 1.126 1.421 1.00 . A A . 11 I4G HB3 1 1 9 2703 1 1 11 . HD11 H -2.586 0.962 3.838 1.00 . A A . 11 I4G HD11 1 1 9 2704 1 1 11 . HD12 H -2.234 -0.466 2.860 1.00 . A A . 11 I4G HD12 1 1 9 2705 1 1 11 . HD13 H -1.116 0.017 4.143 1.00 . A A . 11 I4G HD13 1 1 9 2706 1 1 11 . HD21 H -1.277 3.096 3.526 1.00 . A A . 11 I4G HD21 1 1 9 2707 1 1 11 . HD22 H 0.235 2.238 3.872 1.00 . A A . 11 I4G HD22 1 1 9 2708 1 1 11 . HD23 H 0.065 3.171 2.376 1.00 . A A . 11 I4G HD23 1 1 9 2709 1 1 11 . HG H -1.699 1.607 1.581 1.00 . A A . 11 I4G HG 1 1 9 2710 1 1 11 . N N 0.756 -0.476 2.637 1.00 . A A . 11 I4G N 1 1 9 2711 1 1 11 . O O 3.503 1.792 2.994 1.00 . A A . 11 I4G O 1 1 9 2712 1 1 12 HIS C C 3.400 1.606 -0.642 1.00 . A A . 12 HIS C 1 1 9 2713 1 1 12 HIS CA C 4.121 0.844 0.466 1.00 . A A . 12 HIS CA 1 1 9 2714 1 1 12 HIS CB C 5.015 -0.237 -0.144 1.00 . A A . 12 HIS CB 1 1 9 2715 1 1 12 HIS CD2 C 3.236 -1.469 -1.574 1.00 . A A . 12 HIS CD2 1 1 9 2716 1 1 12 HIS CE1 C 4.351 -1.563 -3.460 1.00 . A A . 12 HIS CE1 1 1 9 2717 1 1 12 HIS CG C 4.435 -0.874 -1.369 1.00 . A A . 12 HIS CG 1 1 9 2718 1 1 12 HIS H H 2.684 -0.563 1.127 1.00 . A A . 12 HIS H 1 1 9 2719 1 1 12 HIS HA H 4.736 1.536 1.021 1.00 . A A . 12 HIS HA 1 1 9 2720 1 1 12 HIS HB2 H 5.964 0.202 -0.417 1.00 . A A . 12 HIS HB2 1 1 9 2721 1 1 12 HIS HB3 H 5.180 -1.014 0.589 1.00 . A A . 12 HIS HB3 1 1 9 2722 1 1 12 HIS HD1 H 6.010 -0.606 -2.742 1.00 . A A . 12 HIS HD1 1 1 9 2723 1 1 12 HIS HD2 H 2.448 -1.590 -0.845 1.00 . A A . 12 HIS HD2 1 1 9 2724 1 1 12 HIS HE1 H 4.618 -1.764 -4.487 1.00 . A A . 12 HIS HE1 1 1 9 2725 1 1 12 HIS N N 3.166 0.248 1.393 1.00 . A A . 12 HIS N 1 1 9 2726 1 1 12 HIS ND1 N 5.110 -0.950 -2.569 1.00 . A A . 12 HIS ND1 1 1 9 2727 1 1 12 HIS NE2 N 3.209 -1.889 -2.882 1.00 . A A . 12 HIS NE2 1 1 9 2728 1 1 12 HIS O O 3.980 2.476 -1.291 1.00 . A A . 12 HIS O 1 1 9 2729 1 1 13 VAL C C 1.332 3.442 -1.698 1.00 . A A . 13 VAL C 1 1 9 2730 1 1 13 VAL CA C 1.328 1.928 -1.879 1.00 . A A . 13 VAL CA 1 1 9 2731 1 1 13 VAL CB C -0.126 1.423 -1.862 1.00 . A A . 13 VAL CB 1 1 9 2732 1 1 13 VAL CG1 C -0.977 2.211 -2.848 1.00 . A A . 13 VAL CG1 1 1 9 2733 1 1 13 VAL CG2 C -0.178 -0.065 -2.173 1.00 . A A . 13 VAL CG2 1 1 9 2734 1 1 13 VAL H H 1.721 0.574 -0.302 1.00 . A A . 13 VAL H 1 1 9 2735 1 1 13 VAL HA H 1.759 1.690 -2.841 1.00 . A A . 13 VAL HA 1 1 9 2736 1 1 13 VAL HB H -0.528 1.578 -0.871 1.00 . A A . 13 VAL HB 1 1 9 2737 1 1 13 VAL HG11 H -0.398 2.419 -3.736 1.00 . A A . 13 VAL HG11 1 1 9 2738 1 1 13 VAL HG12 H -1.851 1.634 -3.112 1.00 . A A . 13 VAL HG12 1 1 9 2739 1 1 13 VAL HG13 H -1.284 3.142 -2.394 1.00 . A A . 13 VAL HG13 1 1 9 2740 1 1 13 VAL HG21 H 0.363 -0.609 -1.413 1.00 . A A . 13 VAL HG21 1 1 9 2741 1 1 13 VAL HG22 H -1.206 -0.395 -2.187 1.00 . A A . 13 VAL HG22 1 1 9 2742 1 1 13 VAL HG23 H 0.273 -0.248 -3.137 1.00 . A A . 13 VAL HG23 1 1 9 2743 1 1 13 VAL N N 2.130 1.275 -0.852 1.00 . A A . 13 VAL N 1 1 9 2744 1 1 13 VAL O O 1.826 4.180 -2.552 1.00 . A A . 13 VAL O 1 1 9 2745 1 1 14 VAL C C 2.095 5.968 -0.388 1.00 . A A . 14 VAL C 1 1 9 2746 1 1 14 VAL CA C 0.715 5.327 -0.287 1.00 . A A . 14 VAL CA 1 1 9 2747 1 1 14 VAL CB C 0.143 5.586 1.120 1.00 . A A . 14 VAL CB 1 1 9 2748 1 1 14 VAL CG1 C 0.194 7.069 1.453 1.00 . A A . 14 VAL CG1 1 1 9 2749 1 1 14 VAL CG2 C -1.278 5.057 1.223 1.00 . A A . 14 VAL CG2 1 1 9 2750 1 1 14 VAL H H 0.397 3.264 0.060 1.00 . A A . 14 VAL H 1 1 9 2751 1 1 14 VAL HA H 0.060 5.790 -1.009 1.00 . A A . 14 VAL HA 1 1 9 2752 1 1 14 VAL HB H 0.754 5.058 1.838 1.00 . A A . 14 VAL HB 1 1 9 2753 1 1 14 VAL HG11 H 0.135 7.645 0.539 1.00 . A A . 14 VAL HG11 1 1 9 2754 1 1 14 VAL HG12 H -0.637 7.324 2.094 1.00 . A A . 14 VAL HG12 1 1 9 2755 1 1 14 VAL HG13 H 1.122 7.293 1.959 1.00 . A A . 14 VAL HG13 1 1 9 2756 1 1 14 VAL HG21 H -1.319 4.056 0.819 1.00 . A A . 14 VAL HG21 1 1 9 2757 1 1 14 VAL HG22 H -1.583 5.039 2.259 1.00 . A A . 14 VAL HG22 1 1 9 2758 1 1 14 VAL HG23 H -1.943 5.698 0.663 1.00 . A A . 14 VAL HG23 1 1 9 2759 1 1 14 VAL N N 0.776 3.901 -0.581 1.00 . A A . 14 VAL N 1 1 9 2760 1 1 14 VAL O O 2.222 7.144 -0.728 1.00 . A A . 14 VAL O 1 1 9 2761 1 1 15 GLY C C 4.928 5.987 -1.576 1.00 . A A . 15 GLY C 1 1 9 2762 1 1 15 GLY CA C 4.486 5.694 -0.156 1.00 . A A . 15 GLY CA 1 1 9 2763 1 1 15 GLY H H 2.967 4.256 0.173 1.00 . A A . 15 GLY H 1 1 9 2764 1 1 15 GLY HA2 H 4.547 6.602 0.425 1.00 . A A . 15 GLY HA2 1 1 9 2765 1 1 15 GLY HA3 H 5.154 4.960 0.272 1.00 . A A . 15 GLY HA3 1 1 9 2766 1 1 15 GLY N N 3.129 5.186 -0.091 1.00 . A A . 15 GLY N 1 1 9 2767 1 1 15 GLY O O 5.802 6.825 -1.801 1.00 . A A . 15 GLY O 1 1 9 2768 1 1 16 ALA C C 3.711 6.477 -4.605 1.00 . A A . 16 ALA C 1 1 9 2769 1 1 16 ALA CA C 4.662 5.487 -3.942 1.00 . A A . 16 ALA CA 1 1 9 2770 1 1 16 ALA CB C 4.637 4.156 -4.677 1.00 . A A . 16 ALA CB 1 1 9 2771 1 1 16 ALA H H 3.637 4.641 -2.295 1.00 . A A . 16 ALA H 1 1 9 2772 1 1 16 ALA HA H 5.667 5.880 -3.994 1.00 . A A . 16 ALA HA 1 1 9 2773 1 1 16 ALA HB1 H 5.624 3.937 -5.058 1.00 . A A . 16 ALA HB1 1 1 9 2774 1 1 16 ALA HB2 H 4.333 3.375 -3.996 1.00 . A A . 16 ALA HB2 1 1 9 2775 1 1 16 ALA HB3 H 3.938 4.211 -5.499 1.00 . A A . 16 ALA HB3 1 1 9 2776 1 1 16 ALA N N 4.326 5.295 -2.537 1.00 . A A . 16 ALA N 1 1 9 2777 1 1 16 ALA O O 4.143 7.410 -5.282 1.00 . A A . 16 ALA O 1 1 9 2778 1 1 17 ILE C C 1.631 8.594 -4.577 1.00 . A A . 17 ILE C 1 1 9 2779 1 1 17 ILE CA C 1.401 7.143 -4.983 1.00 . A A . 17 ILE CA 1 1 9 2780 1 1 17 ILE CB C -0.018 6.720 -4.558 1.00 . A A . 17 ILE CB 1 1 9 2781 1 1 17 ILE CD1 C -1.671 4.786 -4.599 1.00 . A A . 17 ILE CD1 1 1 9 2782 1 1 17 ILE CG1 C -0.297 5.281 -4.995 1.00 . A A . 17 ILE CG1 1 1 9 2783 1 1 17 ILE CG2 C -1.051 7.670 -5.146 1.00 . A A . 17 ILE CG2 1 1 9 2784 1 1 17 ILE H H 2.132 5.507 -3.856 1.00 . A A . 17 ILE H 1 1 9 2785 1 1 17 ILE HA H 1.471 7.066 -6.059 1.00 . A A . 17 ILE HA 1 1 9 2786 1 1 17 ILE HB H -0.079 6.782 -3.482 1.00 . A A . 17 ILE HB 1 1 9 2787 1 1 17 ILE HD11 H -1.823 4.950 -3.543 1.00 . A A . 17 ILE HD11 1 1 9 2788 1 1 17 ILE HD12 H -2.423 5.321 -5.159 1.00 . A A . 17 ILE HD12 1 1 9 2789 1 1 17 ILE HD13 H -1.748 3.730 -4.812 1.00 . A A . 17 ILE HD13 1 1 9 2790 1 1 17 ILE HG12 H -0.218 5.215 -6.069 1.00 . A A . 17 ILE HG12 1 1 9 2791 1 1 17 ILE HG13 H 0.435 4.627 -4.543 1.00 . A A . 17 ILE HG13 1 1 9 2792 1 1 17 ILE HG21 H -1.577 8.169 -4.346 1.00 . A A . 17 ILE HG21 1 1 9 2793 1 1 17 ILE HG22 H -0.556 8.404 -5.763 1.00 . A A . 17 ILE HG22 1 1 9 2794 1 1 17 ILE HG23 H -1.754 7.110 -5.745 1.00 . A A . 17 ILE HG23 1 1 9 2795 1 1 17 ILE N N 2.414 6.268 -4.405 1.00 . A A . 17 ILE N 1 1 9 2796 1 1 17 ILE O O 1.411 9.513 -5.364 1.00 . A A . 17 ILE O 1 1 9 2797 1 1 18 ALA C C 3.573 10.739 -3.492 1.00 . A A . 18 ALA C 1 1 9 2798 1 1 18 ALA CA C 2.341 10.132 -2.829 1.00 . A A . 18 ALA CA 1 1 9 2799 1 1 18 ALA CB C 2.516 10.095 -1.318 1.00 . A A . 18 ALA CB 1 1 9 2800 1 1 18 ALA H H 2.233 8.020 -2.758 1.00 . A A . 18 ALA H 1 1 9 2801 1 1 18 ALA HA H 1.483 10.750 -3.053 1.00 . A A . 18 ALA HA 1 1 9 2802 1 1 18 ALA HB1 H 1.576 9.832 -0.854 1.00 . A A . 18 ALA HB1 1 1 9 2803 1 1 18 ALA HB2 H 3.263 9.359 -1.060 1.00 . A A . 18 ALA HB2 1 1 9 2804 1 1 18 ALA HB3 H 2.830 11.067 -0.968 1.00 . A A . 18 ALA HB3 1 1 9 2805 1 1 18 ALA N N 2.077 8.793 -3.340 1.00 . A A . 18 ALA N 1 1 9 2806 1 1 18 ALA O O 3.801 11.945 -3.409 1.00 . A A . 18 ALA O 1 1 9 2807 1 1 19 GLU C C 5.229 11.159 -6.069 1.00 . A A . 19 GLU C 1 1 9 2808 1 1 19 GLU CA C 5.573 10.350 -4.821 1.00 . A A . 19 GLU CA 1 1 9 2809 1 1 19 GLU CB C 6.452 9.157 -5.201 1.00 . A A . 19 GLU CB 1 1 9 2810 1 1 19 GLU CD C 8.432 9.505 -6.730 1.00 . A A . 19 GLU CD 1 1 9 2811 1 1 19 GLU CG C 7.930 9.496 -5.300 1.00 . A A . 19 GLU CG 1 1 9 2812 1 1 19 GLU H H 4.127 8.944 -4.177 1.00 . A A . 19 GLU H 1 1 9 2813 1 1 19 GLU HA H 6.117 10.982 -4.136 1.00 . A A . 19 GLU HA 1 1 9 2814 1 1 19 GLU HB2 H 6.330 8.384 -4.456 1.00 . A A . 19 GLU HB2 1 1 9 2815 1 1 19 GLU HB3 H 6.128 8.776 -6.158 1.00 . A A . 19 GLU HB3 1 1 9 2816 1 1 19 GLU HG2 H 8.091 10.474 -4.872 1.00 . A A . 19 GLU HG2 1 1 9 2817 1 1 19 GLU HG3 H 8.493 8.763 -4.740 1.00 . A A . 19 GLU HG3 1 1 9 2818 1 1 19 GLU N N 4.364 9.895 -4.147 1.00 . A A . 19 GLU N 1 1 9 2819 1 1 19 GLU O O 5.719 12.273 -6.256 1.00 . A A . 19 GLU O 1 1 9 2820 1 1 19 GLU OE1 O 8.509 8.417 -7.338 1.00 . A A . 19 GLU OE1 1 1 9 2821 1 1 19 GLU OE2 O 8.750 10.599 -7.242 1.00 . A A . 19 GLU OE2 1 1 9 2822 1 1 20 HIS C C 2.938 12.341 -7.863 1.00 . A A . 20 HIS C 1 1 9 2823 1 1 20 HIS CA C 3.971 11.256 -8.152 1.00 . A A . 20 HIS CA 1 1 9 2824 1 1 20 HIS CB C 3.399 10.241 -9.141 1.00 . A A . 20 HIS CB 1 1 9 2825 1 1 20 HIS CD2 C 1.318 9.008 -8.206 1.00 . A A . 20 HIS CD2 1 1 9 2826 1 1 20 HIS CE1 C -0.234 10.227 -9.162 1.00 . A A . 20 HIS CE1 1 1 9 2827 1 1 20 HIS CG C 1.942 9.960 -8.936 1.00 . A A . 20 HIS CG 1 1 9 2828 1 1 20 HIS H H 4.025 9.700 -6.717 1.00 . A A . 20 HIS H 1 1 9 2829 1 1 20 HIS HA H 4.845 11.717 -8.587 1.00 . A A . 20 HIS HA 1 1 9 2830 1 1 20 HIS HB2 H 3.527 10.615 -10.146 1.00 . A A . 20 HIS HB2 1 1 9 2831 1 1 20 HIS HB3 H 3.935 9.307 -9.039 1.00 . A A . 20 HIS HB3 1 1 9 2832 1 1 20 HIS HD1 H 1.076 11.476 -10.117 1.00 . A A . 20 HIS HD1 1 1 9 2833 1 1 20 HIS HD2 H 1.793 8.241 -7.609 1.00 . A A . 20 HIS HD2 1 1 9 2834 1 1 20 HIS HE1 H -1.195 10.612 -9.468 1.00 . A A . 20 HIS HE1 1 1 9 2835 1 1 20 HIS N N 4.382 10.590 -6.921 1.00 . A A . 20 HIS N 1 1 9 2836 1 1 20 HIS ND1 N 0.943 10.707 -9.524 1.00 . A A . 20 HIS ND1 1 1 9 2837 1 1 20 HIS NE2 N -0.034 9.195 -8.363 1.00 . A A . 20 HIS NE2 1 1 9 2838 1 1 20 HIS O O 2.783 13.287 -8.635 1.00 . A A . 20 HIS O 1 1 9 2839 1 1 21 PHE C C 1.778 14.188 -5.382 1.00 . A A . 21 PHE C 1 1 9 2840 1 1 21 PHE CA C 1.210 13.161 -6.357 1.00 . A A . 21 PHE CA 1 1 9 2841 1 1 21 PHE CB C 0.016 12.445 -5.723 1.00 . A A . 21 PHE CB 1 1 9 2842 1 1 21 PHE CD1 C -1.643 13.067 -7.500 1.00 . A A . 21 PHE CD1 1 1 9 2843 1 1 21 PHE CD2 C -2.231 13.444 -5.220 1.00 . A A . 21 PHE CD2 1 1 9 2844 1 1 21 PHE CE1 C -2.865 13.572 -7.903 1.00 . A A . 21 PHE CE1 1 1 9 2845 1 1 21 PHE CE2 C -3.453 13.951 -5.617 1.00 . A A . 21 PHE CE2 1 1 9 2846 1 1 21 PHE CG C -1.312 12.996 -6.157 1.00 . A A . 21 PHE CG 1 1 9 2847 1 1 21 PHE CZ C -3.770 14.017 -6.959 1.00 . A A . 21 PHE CZ 1 1 9 2848 1 1 21 PHE H H 2.400 11.420 -6.172 1.00 . A A . 21 PHE H 1 1 9 2849 1 1 21 PHE HA H 0.882 13.672 -7.249 1.00 . A A . 21 PHE HA 1 1 9 2850 1 1 21 PHE HB2 H 0.046 11.401 -5.994 1.00 . A A . 21 PHE HB2 1 1 9 2851 1 1 21 PHE HB3 H 0.080 12.536 -4.649 1.00 . A A . 21 PHE HB3 1 1 9 2852 1 1 21 PHE HD1 H -0.934 12.720 -8.239 1.00 . A A . 21 PHE HD1 1 1 9 2853 1 1 21 PHE HD2 H -1.984 13.395 -4.171 1.00 . A A . 21 PHE HD2 1 1 9 2854 1 1 21 PHE HE1 H -3.109 13.623 -8.953 1.00 . A A . 21 PHE HE1 1 1 9 2855 1 1 21 PHE HE2 H -4.160 14.298 -4.878 1.00 . A A . 21 PHE HE2 1 1 9 2856 1 1 21 PHE HZ H -4.725 14.411 -7.272 1.00 . A A . 21 PHE HZ 1 1 9 2857 1 1 21 PHE N N 2.231 12.195 -6.747 1.00 . A A . 21 PHE N 1 1 9 2858 1 1 21 PHE O O 1.076 14.770 -4.591 1.00 . A A . 21 PHE O 1 1 9 2859 1 1 22 NH2 HN1 H 3.775 13.895 -6.164 1.00 . A A . 22 NH2 HN1 1 1 9 2860 1 1 22 NH2 HN2 H 3.693 15.097 -4.840 1.00 . A A . 22 NH2 HN2 1 1 9 2861 1 1 22 NH2 N N 3.273 14.434 -5.465 1.00 . A A . 22 NH2 N 1 1 9 2862 2 2 1 UNX UNK . -13.379 0.478 -12.304 1.00 . B A . 100 UNX UNK 1 1 10 2863 1 1 1 GLY C C -3.588 -16.054 0.335 1.00 . A A . 1 GLY C 1 1 10 2864 1 1 1 GLY CA C -3.323 -17.285 1.177 1.00 . A A . 1 GLY CA 1 1 10 2865 1 1 1 GLY H1 H -4.675 -18.309 -0.043 1.00 . A A . 1 GLY H1 1 1 10 2866 1 1 1 GLY H2 H -3.347 -19.189 0.319 1.00 . A A . 1 GLY H2 1 1 10 2867 1 1 1 GLY H3 H -4.503 -19.043 1.229 1.00 . A A . 1 GLY H3 1 1 10 2868 1 1 1 GLY HA2 H -3.691 -17.111 2.178 1.00 . A A . 1 GLY HA2 1 1 10 2869 1 1 1 GLY HA3 H -2.257 -17.455 1.221 1.00 . A A . 1 GLY HA3 1 1 10 2870 1 1 1 GLY N N -3.965 -18.472 0.643 1.00 . A A . 1 GLY N 1 1 10 2871 1 1 1 GLY O O -2.691 -15.552 -0.345 1.00 . A A . 1 GLY O 1 1 10 2872 1 1 2 LEU C C -4.604 -13.119 0.223 1.00 . A A . 2 LEU C 1 1 10 2873 1 1 2 LEU CA C -5.202 -14.382 -0.388 1.00 . A A . 2 LEU CA 1 1 10 2874 1 1 2 LEU CB C -6.726 -14.260 -0.450 1.00 . A A . 2 LEU CB 1 1 10 2875 1 1 2 LEU CD1 C -6.794 -12.170 -1.834 1.00 . A A . 2 LEU CD1 1 1 10 2876 1 1 2 LEU CD2 C -6.933 -14.407 -2.945 1.00 . A A . 2 LEU CD2 1 1 10 2877 1 1 2 LEU CG C -7.296 -13.600 -1.706 1.00 . A A . 2 LEU CG 1 1 10 2878 1 1 2 LEU H H -5.492 -16.005 0.938 1.00 . A A . 2 LEU H 1 1 10 2879 1 1 2 LEU HA H -4.818 -14.499 -1.391 1.00 . A A . 2 LEU HA 1 1 10 2880 1 1 2 LEU HB2 H -7.141 -15.254 -0.381 1.00 . A A . 2 LEU HB2 1 1 10 2881 1 1 2 LEU HB3 H -7.045 -13.679 0.404 1.00 . A A . 2 LEU HB3 1 1 10 2882 1 1 2 LEU HD11 H -6.845 -11.683 -0.871 1.00 . A A . 2 LEU HD11 1 1 10 2883 1 1 2 LEU HD12 H -7.408 -11.634 -2.541 1.00 . A A . 2 LEU HD12 1 1 10 2884 1 1 2 LEU HD13 H -5.770 -12.178 -2.180 1.00 . A A . 2 LEU HD13 1 1 10 2885 1 1 2 LEU HD21 H -6.347 -15.267 -2.653 1.00 . A A . 2 LEU HD21 1 1 10 2886 1 1 2 LEU HD22 H -6.357 -13.791 -3.620 1.00 . A A . 2 LEU HD22 1 1 10 2887 1 1 2 LEU HD23 H -7.836 -14.736 -3.437 1.00 . A A . 2 LEU HD23 1 1 10 2888 1 1 2 LEU HG H -8.374 -13.569 -1.631 1.00 . A A . 2 LEU HG 1 1 10 2889 1 1 2 LEU N N -4.821 -15.564 0.378 1.00 . A A . 2 LEU N 1 1 10 2890 1 1 2 LEU O O -3.802 -12.431 -0.408 1.00 . A A . 2 LEU O 1 1 10 2891 1 1 3 PHE C C -2.976 -11.671 2.252 1.00 . A A . 3 PHE C 1 1 10 2892 1 1 3 PHE CA C -4.499 -11.643 2.155 1.00 . A A . 3 PHE CA 1 1 10 2893 1 1 3 PHE CB C -5.108 -11.558 3.556 1.00 . A A . 3 PHE CB 1 1 10 2894 1 1 3 PHE CD1 C -7.203 -10.175 3.521 1.00 . A A . 3 PHE CD1 1 1 10 2895 1 1 3 PHE CD2 C -5.198 -9.174 4.336 1.00 . A A . 3 PHE CD2 1 1 10 2896 1 1 3 PHE CE1 C -7.888 -8.998 3.753 1.00 . A A . 3 PHE CE1 1 1 10 2897 1 1 3 PHE CE2 C -5.878 -7.993 4.570 1.00 . A A . 3 PHE CE2 1 1 10 2898 1 1 3 PHE CG C -5.851 -10.276 3.809 1.00 . A A . 3 PHE CG 1 1 10 2899 1 1 3 PHE CZ C -7.226 -7.906 4.279 1.00 . A A . 3 PHE CZ 1 1 10 2900 1 1 3 PHE H H -5.639 -13.410 1.909 1.00 . A A . 3 PHE H 1 1 10 2901 1 1 3 PHE HA H -4.795 -10.774 1.589 1.00 . A A . 3 PHE HA 1 1 10 2902 1 1 3 PHE HB2 H -5.802 -12.374 3.689 1.00 . A A . 3 PHE HB2 1 1 10 2903 1 1 3 PHE HB3 H -4.320 -11.636 4.289 1.00 . A A . 3 PHE HB3 1 1 10 2904 1 1 3 PHE HD1 H -7.723 -11.028 3.110 1.00 . A A . 3 PHE HD1 1 1 10 2905 1 1 3 PHE HD2 H -4.143 -9.242 4.565 1.00 . A A . 3 PHE HD2 1 1 10 2906 1 1 3 PHE HE1 H -8.941 -8.932 3.524 1.00 . A A . 3 PHE HE1 1 1 10 2907 1 1 3 PHE HE2 H -5.357 -7.142 4.980 1.00 . A A . 3 PHE HE2 1 1 10 2908 1 1 3 PHE HZ H -7.759 -6.984 4.460 1.00 . A A . 3 PHE HZ 1 1 10 2909 1 1 3 PHE N N -4.998 -12.822 1.457 1.00 . A A . 3 PHE N 1 1 10 2910 1 1 3 PHE O O -2.328 -10.628 2.312 1.00 . A A . 3 PHE O 1 1 10 2911 1 1 4 GLY C C -0.240 -12.186 1.324 1.00 . A A . 4 GLY C 1 1 10 2912 1 1 4 GLY CA C -0.972 -13.019 2.358 1.00 . A A . 4 GLY CA 1 1 10 2913 1 1 4 GLY H H -2.981 -13.673 2.217 1.00 . A A . 4 GLY H 1 1 10 2914 1 1 4 GLY HA2 H -0.651 -12.714 3.343 1.00 . A A . 4 GLY HA2 1 1 10 2915 1 1 4 GLY HA3 H -0.715 -14.058 2.213 1.00 . A A . 4 GLY HA3 1 1 10 2916 1 1 4 GLY N N -2.413 -12.876 2.267 1.00 . A A . 4 GLY N 1 1 10 2917 1 1 4 GLY O O 0.877 -11.728 1.563 1.00 . A A . 4 GLY O 1 1 10 2918 1 1 5 VAL C C -0.783 -9.770 -0.887 1.00 . A A . 5 VAL C 1 1 10 2919 1 1 5 VAL CA C -0.272 -11.207 -0.904 1.00 . A A . 5 VAL CA 1 1 10 2920 1 1 5 VAL CB C -0.566 -11.828 -2.282 1.00 . A A . 5 VAL CB 1 1 10 2921 1 1 5 VAL CG1 C 0.036 -10.979 -3.391 1.00 . A A . 5 VAL CG1 1 1 10 2922 1 1 5 VAL CG2 C -0.041 -13.254 -2.346 1.00 . A A . 5 VAL CG2 1 1 10 2923 1 1 5 VAL H H -1.760 -12.380 0.040 1.00 . A A . 5 VAL H 1 1 10 2924 1 1 5 VAL HA H 0.798 -11.200 -0.756 1.00 . A A . 5 VAL HA 1 1 10 2925 1 1 5 VAL HB H -1.637 -11.855 -2.421 1.00 . A A . 5 VAL HB 1 1 10 2926 1 1 5 VAL HG11 H -0.486 -10.034 -3.443 1.00 . A A . 5 VAL HG11 1 1 10 2927 1 1 5 VAL HG12 H 1.081 -10.803 -3.183 1.00 . A A . 5 VAL HG12 1 1 10 2928 1 1 5 VAL HG13 H -0.062 -11.496 -4.334 1.00 . A A . 5 VAL HG13 1 1 10 2929 1 1 5 VAL HG21 H -0.551 -13.859 -1.612 1.00 . A A . 5 VAL HG21 1 1 10 2930 1 1 5 VAL HG22 H -0.217 -13.659 -3.332 1.00 . A A . 5 VAL HG22 1 1 10 2931 1 1 5 VAL HG23 H 1.020 -13.257 -2.140 1.00 . A A . 5 VAL HG23 1 1 10 2932 1 1 5 VAL N N -0.870 -11.989 0.171 1.00 . A A . 5 VAL N 1 1 10 2933 1 1 5 VAL O O -0.128 -8.861 -1.399 1.00 . A A . 5 VAL O 1 1 10 2934 1 1 6 LEU C C -1.579 -7.244 0.403 1.00 . A A . 6 LEU C 1 1 10 2935 1 1 6 LEU CA C -2.555 -8.245 -0.210 1.00 . A A . 6 LEU CA 1 1 10 2936 1 1 6 LEU CB C -3.838 -8.296 0.620 1.00 . A A . 6 LEU CB 1 1 10 2937 1 1 6 LEU CD1 C -6.302 -8.722 0.794 1.00 . A A . 6 LEU CD1 1 1 10 2938 1 1 6 LEU CD2 C -5.400 -7.385 -1.118 1.00 . A A . 6 LEU CD2 1 1 10 2939 1 1 6 LEU CG C -5.132 -8.536 -0.160 1.00 . A A . 6 LEU CG 1 1 10 2940 1 1 6 LEU H H -2.429 -10.335 0.096 1.00 . A A . 6 LEU H 1 1 10 2941 1 1 6 LEU HA H -2.796 -7.926 -1.212 1.00 . A A . 6 LEU HA 1 1 10 2942 1 1 6 LEU HB2 H -3.735 -9.091 1.342 1.00 . A A . 6 LEU HB2 1 1 10 2943 1 1 6 LEU HB3 H -3.935 -7.352 1.138 1.00 . A A . 6 LEU HB3 1 1 10 2944 1 1 6 LEU HD11 H -6.029 -8.363 1.774 1.00 . A A . 6 LEU HD11 1 1 10 2945 1 1 6 LEU HD12 H -6.556 -9.770 0.852 1.00 . A A . 6 LEU HD12 1 1 10 2946 1 1 6 LEU HD13 H -7.154 -8.166 0.430 1.00 . A A . 6 LEU HD13 1 1 10 2947 1 1 6 LEU HD21 H -6.442 -7.388 -1.401 1.00 . A A . 6 LEU HD21 1 1 10 2948 1 1 6 LEU HD22 H -4.786 -7.500 -1.999 1.00 . A A . 6 LEU HD22 1 1 10 2949 1 1 6 LEU HD23 H -5.162 -6.450 -0.632 1.00 . A A . 6 LEU HD23 1 1 10 2950 1 1 6 LEU HG H -5.031 -9.441 -0.743 1.00 . A A . 6 LEU HG 1 1 10 2951 1 1 6 LEU N N -1.955 -9.572 -0.294 1.00 . A A . 6 LEU N 1 1 10 2952 1 1 6 LEU O O -1.644 -6.048 0.123 1.00 . A A . 6 LEU O 1 1 10 2953 1 1 7 ALA C C 1.187 -6.183 0.857 1.00 . A A . 7 ALA C 1 1 10 2954 1 1 7 ALA CA C 0.317 -6.895 1.887 1.00 . A A . 7 ALA CA 1 1 10 2955 1 1 7 ALA CB C 1.180 -7.719 2.831 1.00 . A A . 7 ALA CB 1 1 10 2956 1 1 7 ALA H H -0.673 -8.706 1.421 1.00 . A A . 7 ALA H 1 1 10 2957 1 1 7 ALA HA H -0.209 -6.155 2.473 1.00 . A A . 7 ALA HA 1 1 10 2958 1 1 7 ALA HB1 H 2.002 -8.154 2.280 1.00 . A A . 7 ALA HB1 1 1 10 2959 1 1 7 ALA HB2 H 1.567 -7.082 3.613 1.00 . A A . 7 ALA HB2 1 1 10 2960 1 1 7 ALA HB3 H 0.584 -8.506 3.270 1.00 . A A . 7 ALA HB3 1 1 10 2961 1 1 7 ALA N N -0.675 -7.744 1.238 1.00 . A A . 7 ALA N 1 1 10 2962 1 1 7 ALA O O 1.734 -5.112 1.125 1.00 . A A . 7 ALA O 1 1 10 2963 1 1 8 LYS C C 1.522 -4.886 -1.868 1.00 . A A . 8 LYS C 1 1 10 2964 1 1 8 LYS CA C 2.118 -6.207 -1.392 1.00 . A A . 8 LYS CA 1 1 10 2965 1 1 8 LYS CB C 2.219 -7.185 -2.565 1.00 . A A . 8 LYS CB 1 1 10 2966 1 1 8 LYS CD C 3.765 -6.379 -4.372 1.00 . A A . 8 LYS CD 1 1 10 2967 1 1 8 LYS CE C 3.626 -7.162 -5.669 1.00 . A A . 8 LYS CE 1 1 10 2968 1 1 8 LYS CG C 3.614 -7.281 -3.159 1.00 . A A . 8 LYS CG 1 1 10 2969 1 1 8 LYS H H 0.854 -7.636 -0.475 1.00 . A A . 8 LYS H 1 1 10 2970 1 1 8 LYS HA H 3.106 -6.022 -1.002 1.00 . A A . 8 LYS HA 1 1 10 2971 1 1 8 LYS HB2 H 1.927 -8.167 -2.225 1.00 . A A . 8 LYS HB2 1 1 10 2972 1 1 8 LYS HB3 H 1.540 -6.866 -3.343 1.00 . A A . 8 LYS HB3 1 1 10 2973 1 1 8 LYS HD2 H 3.002 -5.616 -4.342 1.00 . A A . 8 LYS HD2 1 1 10 2974 1 1 8 LYS HD3 H 4.742 -5.915 -4.345 1.00 . A A . 8 LYS HD3 1 1 10 2975 1 1 8 LYS HE2 H 4.038 -6.574 -6.475 1.00 . A A . 8 LYS HE2 1 1 10 2976 1 1 8 LYS HE3 H 4.179 -8.085 -5.578 1.00 . A A . 8 LYS HE3 1 1 10 2977 1 1 8 LYS HG2 H 4.334 -6.985 -2.411 1.00 . A A . 8 LYS HG2 1 1 10 2978 1 1 8 LYS HG3 H 3.799 -8.303 -3.456 1.00 . A A . 8 LYS HG3 1 1 10 2979 1 1 8 LYS HZ1 H 1.574 -6.890 -5.392 1.00 . A A . 8 LYS HZ1 1 1 10 2980 1 1 8 LYS HZ2 H 2.008 -8.478 -5.778 1.00 . A A . 8 LYS HZ2 1 1 10 2981 1 1 8 LYS HZ3 H 2.004 -7.288 -6.979 1.00 . A A . 8 LYS HZ3 1 1 10 2982 1 1 8 LYS N N 1.313 -6.783 -0.321 1.00 . A A . 8 LYS N 1 1 10 2983 1 1 8 LYS NZ N 2.203 -7.477 -5.976 1.00 . A A . 8 LYS NZ 1 1 10 2984 1 1 8 LYS O O 2.181 -4.110 -2.561 1.00 . A A . 8 LYS O 1 1 10 2985 1 1 9 VAL C C -1.237 -2.850 -0.722 1.00 . A A . 9 VAL C 1 1 10 2986 1 1 9 VAL CA C -0.411 -3.406 -1.877 1.00 . A A . 9 VAL CA 1 1 10 2987 1 1 9 VAL CB C -1.332 -3.633 -3.090 1.00 . A A . 9 VAL CB 1 1 10 2988 1 1 9 VAL CG1 C -2.456 -4.594 -2.735 1.00 . A A . 9 VAL CG1 1 1 10 2989 1 1 9 VAL CG2 C -1.889 -2.309 -3.591 1.00 . A A . 9 VAL CG2 1 1 10 2990 1 1 9 VAL H H -0.201 -5.291 -0.939 1.00 . A A . 9 VAL H 1 1 10 2991 1 1 9 VAL HA H 0.339 -2.679 -2.153 1.00 . A A . 9 VAL HA 1 1 10 2992 1 1 9 VAL HB H -0.748 -4.076 -3.883 1.00 . A A . 9 VAL HB 1 1 10 2993 1 1 9 VAL HG11 H -2.398 -4.843 -1.685 1.00 . A A . 9 VAL HG11 1 1 10 2994 1 1 9 VAL HG12 H -3.408 -4.128 -2.943 1.00 . A A . 9 VAL HG12 1 1 10 2995 1 1 9 VAL HG13 H -2.359 -5.495 -3.323 1.00 . A A . 9 VAL HG13 1 1 10 2996 1 1 9 VAL HG21 H -2.817 -2.095 -3.082 1.00 . A A . 9 VAL HG21 1 1 10 2997 1 1 9 VAL HG22 H -1.179 -1.520 -3.392 1.00 . A A . 9 VAL HG22 1 1 10 2998 1 1 9 VAL HG23 H -2.067 -2.372 -4.654 1.00 . A A . 9 VAL HG23 1 1 10 2999 1 1 9 VAL N N 0.273 -4.635 -1.491 1.00 . A A . 9 VAL N 1 1 10 3000 1 1 9 VAL O O -2.419 -2.550 -0.881 1.00 . A A . 9 VAL O 1 1 10 3001 1 1 10 ALA C C -0.295 -1.970 2.762 1.00 . A A . 10 ALA C 1 1 10 3002 1 1 10 ALA CA C -1.280 -2.193 1.620 1.00 . A A . 10 ALA CA 1 1 10 3003 1 1 10 ALA CB C -2.390 -3.140 2.055 1.00 . A A . 10 ALA CB 1 1 10 3004 1 1 10 ALA H H 0.339 -2.972 0.502 1.00 . A A . 10 ALA H 1 1 10 3005 1 1 10 ALA HA H -1.731 -1.248 1.356 1.00 . A A . 10 ALA HA 1 1 10 3006 1 1 10 ALA HB1 H -2.479 -3.942 1.338 1.00 . A A . 10 ALA HB1 1 1 10 3007 1 1 10 ALA HB2 H -2.154 -3.548 3.025 1.00 . A A . 10 ALA HB2 1 1 10 3008 1 1 10 ALA HB3 H -3.322 -2.599 2.108 1.00 . A A . 10 ALA HB3 1 1 10 3009 1 1 10 ALA N N -0.605 -2.715 0.438 1.00 . A A . 10 ALA N 1 1 10 3010 1 1 10 ALA O O 0.052 -2.930 3.422 1.00 . A A . 10 ALA O 1 1 10 3011 1 1 11 . C C 2.398 0.600 3.369 1.00 . A A . 11 I4G C 1 1 10 3012 1 1 11 . CA C 1.225 -0.149 3.952 1.00 . A A . 11 I4G CA 1 1 10 3013 1 1 11 . CB C -0.279 0.601 2.141 1.00 . A A . 11 I4G CB 1 1 10 3014 1 1 11 . CD1 C -1.303 2.320 3.737 1.00 . A A . 11 I4G CD1 1 1 10 3015 1 1 11 . CD2 C -2.407 1.819 1.521 1.00 . A A . 11 I4G CD2 1 1 10 3016 1 1 11 . CG C -1.591 1.222 2.685 1.00 . A A . 11 I4G CG 1 1 10 3017 1 1 11 . HA2 H 1.561 -0.993 4.369 1.00 . A A . 11 I4G HA2 1 1 10 3018 1 1 11 . HA3 H 0.797 0.423 4.652 1.00 . A A . 11 I4G HA3 1 1 10 3019 1 1 11 . HB2 H -0.425 0.250 1.216 1.00 . A A . 11 I4G HB2 1 1 10 3020 1 1 11 . HB3 H 0.446 1.289 2.127 1.00 . A A . 11 I4G HB3 1 1 10 3021 1 1 11 . HD11 H -2.234 2.768 4.088 1.00 . A A . 11 I4G HD11 1 1 10 3022 1 1 11 . HD12 H -0.782 1.902 4.599 1.00 . A A . 11 I4G HD12 1 1 10 3023 1 1 11 . HD13 H -0.678 3.106 3.307 1.00 . A A . 11 I4G HD13 1 1 10 3024 1 1 11 . HD21 H -3.346 2.240 1.886 1.00 . A A . 11 I4G HD21 1 1 10 3025 1 1 11 . HD22 H -1.844 2.611 1.021 1.00 . A A . 11 I4G HD22 1 1 10 3026 1 1 11 . HD23 H -2.643 1.048 0.784 1.00 . A A . 11 I4G HD23 1 1 10 3027 1 1 11 . HG H -2.193 0.439 3.153 1.00 . A A . 11 I4G HG 1 1 10 3028 1 1 11 . N N 0.180 -0.517 2.978 1.00 . A A . 11 I4G N 1 1 10 3029 1 1 11 . O O 2.969 1.504 3.981 1.00 . A A . 11 I4G O 1 1 10 3030 1 1 12 HIS C C 3.325 1.552 0.152 1.00 . A A . 12 HIS C 1 1 10 3031 1 1 12 HIS CA C 3.834 0.879 1.422 1.00 . A A . 12 HIS CA 1 1 10 3032 1 1 12 HIS CB C 4.920 -0.139 1.075 1.00 . A A . 12 HIS CB 1 1 10 3033 1 1 12 HIS CD2 C 3.384 -1.817 -0.170 1.00 . A A . 12 HIS CD2 1 1 10 3034 1 1 12 HIS CE1 C 4.205 -3.675 0.653 1.00 . A A . 12 HIS CE1 1 1 10 3035 1 1 12 HIS CG C 4.381 -1.479 0.680 1.00 . A A . 12 HIS CG 1 1 10 3036 1 1 12 HIS H H 2.249 -0.496 1.704 1.00 . A A . 12 HIS H 1 1 10 3037 1 1 12 HIS HA H 4.254 1.633 2.071 1.00 . A A . 12 HIS HA 1 1 10 3038 1 1 12 HIS HB2 H 5.507 0.238 0.250 1.00 . A A . 12 HIS HB2 1 1 10 3039 1 1 12 HIS HB3 H 5.563 -0.279 1.933 1.00 . A A . 12 HIS HB3 1 1 10 3040 1 1 12 HIS HD1 H 5.607 -2.755 1.825 1.00 . A A . 12 HIS HD1 1 1 10 3041 1 1 12 HIS HD2 H 2.772 -1.135 -0.744 1.00 . A A . 12 HIS HD2 1 1 10 3042 1 1 12 HIS HE1 H 4.373 -4.722 0.859 1.00 . A A . 12 HIS HE1 1 1 10 3043 1 1 12 HIS N N 2.743 0.230 2.140 1.00 . A A . 12 HIS N 1 1 10 3044 1 1 12 HIS ND1 N 4.874 -2.666 1.181 1.00 . A A . 12 HIS ND1 1 1 10 3045 1 1 12 HIS NE2 N 3.295 -3.188 -0.170 1.00 . A A . 12 HIS NE2 1 1 10 3046 1 1 12 HIS O O 4.057 2.292 -0.507 1.00 . A A . 12 HIS O 1 1 10 3047 1 1 13 VAL C C 1.494 3.393 -1.329 1.00 . A A . 13 VAL C 1 1 10 3048 1 1 13 VAL CA C 1.461 1.870 -1.381 1.00 . A A . 13 VAL CA 1 1 10 3049 1 1 13 VAL CB C 0.003 1.404 -1.553 1.00 . A A . 13 VAL CB 1 1 10 3050 1 1 13 VAL CG1 C -0.586 1.959 -2.840 1.00 . A A . 13 VAL CG1 1 1 10 3051 1 1 13 VAL CG2 C -0.077 -0.116 -1.532 1.00 . A A . 13 VAL CG2 1 1 10 3052 1 1 13 VAL H H 1.535 0.692 0.376 1.00 . A A . 13 VAL H 1 1 10 3053 1 1 13 VAL HA H 2.027 1.536 -2.240 1.00 . A A . 13 VAL HA 1 1 10 3054 1 1 13 VAL HB H -0.575 1.786 -0.724 1.00 . A A . 13 VAL HB 1 1 10 3055 1 1 13 VAL HG11 H -0.801 1.145 -3.517 1.00 . A A . 13 VAL HG11 1 1 10 3056 1 1 13 VAL HG12 H -1.499 2.493 -2.617 1.00 . A A . 13 VAL HG12 1 1 10 3057 1 1 13 VAL HG13 H 0.122 2.632 -3.300 1.00 . A A . 13 VAL HG13 1 1 10 3058 1 1 13 VAL HG21 H 0.506 -0.517 -2.347 1.00 . A A . 13 VAL HG21 1 1 10 3059 1 1 13 VAL HG22 H 0.315 -0.483 -0.594 1.00 . A A . 13 VAL HG22 1 1 10 3060 1 1 13 VAL HG23 H -1.106 -0.424 -1.637 1.00 . A A . 13 VAL HG23 1 1 10 3061 1 1 13 VAL N N 2.068 1.289 -0.190 1.00 . A A . 13 VAL N 1 1 10 3062 1 1 13 VAL O O 1.900 4.049 -2.287 1.00 . A A . 13 VAL O 1 1 10 3063 1 1 14 VAL C C 2.400 6.010 -0.360 1.00 . A A . 14 VAL C 1 1 10 3064 1 1 14 VAL CA C 1.046 5.397 -0.021 1.00 . A A . 14 VAL CA 1 1 10 3065 1 1 14 VAL CB C 0.668 5.779 1.422 1.00 . A A . 14 VAL CB 1 1 10 3066 1 1 14 VAL CG1 C 0.691 7.289 1.598 1.00 . A A . 14 VAL CG1 1 1 10 3067 1 1 14 VAL CG2 C -0.696 5.212 1.783 1.00 . A A . 14 VAL CG2 1 1 10 3068 1 1 14 VAL H H 0.753 3.374 0.528 1.00 . A A . 14 VAL H 1 1 10 3069 1 1 14 VAL HA H 0.299 5.806 -0.686 1.00 . A A . 14 VAL HA 1 1 10 3070 1 1 14 VAL HB H 1.401 5.349 2.090 1.00 . A A . 14 VAL HB 1 1 10 3071 1 1 14 VAL HG11 H -0.174 7.598 2.165 1.00 . A A . 14 VAL HG11 1 1 10 3072 1 1 14 VAL HG12 H 1.590 7.576 2.126 1.00 . A A . 14 VAL HG12 1 1 10 3073 1 1 14 VAL HG13 H 0.675 7.765 0.629 1.00 . A A . 14 VAL HG13 1 1 10 3074 1 1 14 VAL HG21 H -1.454 5.687 1.178 1.00 . A A . 14 VAL HG21 1 1 10 3075 1 1 14 VAL HG22 H -0.705 4.147 1.600 1.00 . A A . 14 VAL HG22 1 1 10 3076 1 1 14 VAL HG23 H -0.899 5.398 2.827 1.00 . A A . 14 VAL HG23 1 1 10 3077 1 1 14 VAL N N 1.064 3.950 -0.200 1.00 . A A . 14 VAL N 1 1 10 3078 1 1 14 VAL O O 2.477 7.033 -1.040 1.00 . A A . 14 VAL O 1 1 10 3079 1 1 15 GLY C C 5.097 5.997 -1.627 1.00 . A A . 15 GLY C 1 1 10 3080 1 1 15 GLY CA C 4.804 5.875 -0.144 1.00 . A A . 15 GLY CA 1 1 10 3081 1 1 15 GLY H H 3.345 4.565 0.655 1.00 . A A . 15 GLY H 1 1 10 3082 1 1 15 GLY HA2 H 4.912 6.845 0.315 1.00 . A A . 15 GLY HA2 1 1 10 3083 1 1 15 GLY HA3 H 5.521 5.196 0.296 1.00 . A A . 15 GLY HA3 1 1 10 3084 1 1 15 GLY N N 3.466 5.377 0.119 1.00 . A A . 15 GLY N 1 1 10 3085 1 1 15 GLY O O 5.955 6.779 -2.034 1.00 . A A . 15 GLY O 1 1 10 3086 1 1 16 ALA C C 3.587 6.211 -4.543 1.00 . A A . 16 ALA C 1 1 10 3087 1 1 16 ALA CA C 4.568 5.249 -3.881 1.00 . A A . 16 ALA CA 1 1 10 3088 1 1 16 ALA CB C 4.409 3.850 -4.459 1.00 . A A . 16 ALA CB 1 1 10 3089 1 1 16 ALA H H 3.711 4.620 -2.051 1.00 . A A . 16 ALA H 1 1 10 3090 1 1 16 ALA HA H 5.576 5.583 -4.081 1.00 . A A . 16 ALA HA 1 1 10 3091 1 1 16 ALA HB1 H 4.556 3.119 -3.676 1.00 . A A . 16 ALA HB1 1 1 10 3092 1 1 16 ALA HB2 H 3.418 3.742 -4.872 1.00 . A A . 16 ALA HB2 1 1 10 3093 1 1 16 ALA HB3 H 5.143 3.697 -5.236 1.00 . A A . 16 ALA HB3 1 1 10 3094 1 1 16 ALA N N 4.381 5.223 -2.436 1.00 . A A . 16 ALA N 1 1 10 3095 1 1 16 ALA O O 3.983 7.066 -5.337 1.00 . A A . 16 ALA O 1 1 10 3096 1 1 17 ILE C C 1.573 8.395 -4.512 1.00 . A A . 17 ILE C 1 1 10 3097 1 1 17 ILE CA C 1.273 6.924 -4.777 1.00 . A A . 17 ILE CA 1 1 10 3098 1 1 17 ILE CB C -0.115 6.583 -4.202 1.00 . A A . 17 ILE CB 1 1 10 3099 1 1 17 ILE CD1 C -1.813 4.705 -3.946 1.00 . A A . 17 ILE CD1 1 1 10 3100 1 1 17 ILE CG1 C -0.463 5.120 -4.488 1.00 . A A . 17 ILE CG1 1 1 10 3101 1 1 17 ILE CG2 C -1.171 7.509 -4.785 1.00 . A A . 17 ILE CG2 1 1 10 3102 1 1 17 ILE H H 2.056 5.367 -3.576 1.00 . A A . 17 ILE H 1 1 10 3103 1 1 17 ILE HA H 1.249 6.759 -5.844 1.00 . A A . 17 ILE HA 1 1 10 3104 1 1 17 ILE HB H -0.084 6.736 -3.135 1.00 . A A . 17 ILE HB 1 1 10 3105 1 1 17 ILE HD11 H -2.584 5.324 -4.382 1.00 . A A . 17 ILE HD11 1 1 10 3106 1 1 17 ILE HD12 H -1.998 3.671 -4.194 1.00 . A A . 17 ILE HD12 1 1 10 3107 1 1 17 ILE HD13 H -1.821 4.825 -2.872 1.00 . A A . 17 ILE HD13 1 1 10 3108 1 1 17 ILE HG12 H -0.472 4.962 -5.555 1.00 . A A . 17 ILE HG12 1 1 10 3109 1 1 17 ILE HG13 H 0.286 4.485 -4.040 1.00 . A A . 17 ILE HG13 1 1 10 3110 1 1 17 ILE HG21 H -1.211 7.381 -5.856 1.00 . A A . 17 ILE HG21 1 1 10 3111 1 1 17 ILE HG22 H -2.133 7.269 -4.358 1.00 . A A . 17 ILE HG22 1 1 10 3112 1 1 17 ILE HG23 H -0.920 8.533 -4.554 1.00 . A A . 17 ILE HG23 1 1 10 3113 1 1 17 ILE N N 2.309 6.067 -4.213 1.00 . A A . 17 ILE N 1 1 10 3114 1 1 17 ILE O O 1.292 9.257 -5.345 1.00 . A A . 17 ILE O 1 1 10 3115 1 1 18 ALA C C 3.717 10.530 -3.738 1.00 . A A . 18 ALA C 1 1 10 3116 1 1 18 ALA CA C 2.490 10.042 -2.974 1.00 . A A . 18 ALA CA 1 1 10 3117 1 1 18 ALA CB C 2.730 10.135 -1.473 1.00 . A A . 18 ALA CB 1 1 10 3118 1 1 18 ALA H H 2.348 7.946 -2.725 1.00 . A A . 18 ALA H 1 1 10 3119 1 1 18 ALA HA H 1.650 10.676 -3.219 1.00 . A A . 18 ALA HA 1 1 10 3120 1 1 18 ALA HB1 H 2.863 11.171 -1.195 1.00 . A A . 18 ALA HB1 1 1 10 3121 1 1 18 ALA HB2 H 1.880 9.727 -0.948 1.00 . A A . 18 ALA HB2 1 1 10 3122 1 1 18 ALA HB3 H 3.617 9.576 -1.216 1.00 . A A . 18 ALA HB3 1 1 10 3123 1 1 18 ALA N N 2.148 8.675 -3.347 1.00 . A A . 18 ALA N 1 1 10 3124 1 1 18 ALA O O 4.028 11.720 -3.735 1.00 . A A . 18 ALA O 1 1 10 3125 1 1 19 GLU C C 5.230 10.626 -6.469 1.00 . A A . 19 GLU C 1 1 10 3126 1 1 19 GLU CA C 5.603 9.938 -5.158 1.00 . A A . 19 GLU CA 1 1 10 3127 1 1 19 GLU CB C 6.424 8.679 -5.446 1.00 . A A . 19 GLU CB 1 1 10 3128 1 1 19 GLU CD C 8.705 7.682 -5.864 1.00 . A A . 19 GLU CD 1 1 10 3129 1 1 19 GLU CG C 7.908 8.948 -5.622 1.00 . A A . 19 GLU CG 1 1 10 3130 1 1 19 GLU H H 4.111 8.668 -4.355 1.00 . A A . 19 GLU H 1 1 10 3131 1 1 19 GLU HA H 6.197 10.617 -4.566 1.00 . A A . 19 GLU HA 1 1 10 3132 1 1 19 GLU HB2 H 6.297 7.988 -4.626 1.00 . A A . 19 GLU HB2 1 1 10 3133 1 1 19 GLU HB3 H 6.052 8.221 -6.351 1.00 . A A . 19 GLU HB3 1 1 10 3134 1 1 19 GLU HG2 H 8.044 9.607 -6.466 1.00 . A A . 19 GLU HG2 1 1 10 3135 1 1 19 GLU HG3 H 8.283 9.426 -4.729 1.00 . A A . 19 GLU HG3 1 1 10 3136 1 1 19 GLU N N 4.409 9.601 -4.392 1.00 . A A . 19 GLU N 1 1 10 3137 1 1 19 GLU O O 5.770 11.680 -6.805 1.00 . A A . 19 GLU O 1 1 10 3138 1 1 19 GLU OE1 O 8.088 6.644 -6.183 1.00 . A A . 19 GLU OE1 1 1 10 3139 1 1 19 GLU OE2 O 9.947 7.727 -5.737 1.00 . A A . 19 GLU OE2 1 1 10 3140 1 1 20 HIS C C 2.887 11.727 -8.262 1.00 . A A . 20 HIS C 1 1 10 3141 1 1 20 HIS CA C 3.860 10.573 -8.481 1.00 . A A . 20 HIS CA 1 1 10 3142 1 1 20 HIS CB C 3.198 9.487 -9.329 1.00 . A A . 20 HIS CB 1 1 10 3143 1 1 20 HIS CD2 C 1.074 8.590 -8.142 1.00 . A A . 20 HIS CD2 1 1 10 3144 1 1 20 HIS CE1 C -0.430 9.646 -9.337 1.00 . A A . 20 HIS CE1 1 1 10 3145 1 1 20 HIS CG C 1.733 9.329 -9.065 1.00 . A A . 20 HIS CG 1 1 10 3146 1 1 20 HIS H H 3.912 9.182 -6.886 1.00 . A A . 20 HIS H 1 1 10 3147 1 1 20 HIS HA H 4.729 10.945 -9.001 1.00 . A A . 20 HIS HA 1 1 10 3148 1 1 20 HIS HB2 H 3.322 9.730 -10.374 1.00 . A A . 20 HIS HB2 1 1 10 3149 1 1 20 HIS HB3 H 3.677 8.539 -9.127 1.00 . A A . 20 HIS HB3 1 1 10 3150 1 1 20 HIS HD1 H 0.923 10.592 -10.545 1.00 . A A . 20 HIS HD1 1 1 10 3151 1 1 20 HIS HD2 H 1.522 7.950 -7.394 1.00 . A A . 20 HIS HD2 1 1 10 3152 1 1 20 HIS HE1 H -1.377 10.001 -9.716 1.00 . A A . 20 HIS HE1 1 1 10 3153 1 1 20 HIS N N 4.305 10.020 -7.207 1.00 . A A . 20 HIS N 1 1 10 3154 1 1 20 HIS ND1 N 0.762 9.978 -9.798 1.00 . A A . 20 HIS ND1 1 1 10 3155 1 1 20 HIS NE2 N -0.269 8.805 -8.331 1.00 . A A . 20 HIS NE2 1 1 10 3156 1 1 20 HIS O O 2.731 12.594 -9.123 1.00 . A A . 20 HIS O 1 1 10 3157 1 1 21 PHE C C 1.731 13.571 -5.553 1.00 . A A . 21 PHE C 1 1 10 3158 1 1 21 PHE CA C 1.273 12.778 -6.773 1.00 . A A . 21 PHE CA 1 1 10 3159 1 1 21 PHE CB C -0.106 12.170 -6.511 1.00 . A A . 21 PHE CB 1 1 10 3160 1 1 21 PHE CD1 C -1.290 14.328 -6.999 1.00 . A A . 21 PHE CD1 1 1 10 3161 1 1 21 PHE CD2 C -2.235 12.304 -7.834 1.00 . A A . 21 PHE CD2 1 1 10 3162 1 1 21 PHE CE1 C -2.324 15.050 -7.566 1.00 . A A . 21 PHE CE1 1 1 10 3163 1 1 21 PHE CE2 C -3.271 13.020 -8.402 1.00 . A A . 21 PHE CE2 1 1 10 3164 1 1 21 PHE CG C -1.233 12.950 -7.127 1.00 . A A . 21 PHE CG 1 1 10 3165 1 1 21 PHE CZ C -3.318 14.393 -8.267 1.00 . A A . 21 PHE CZ 1 1 10 3166 1 1 21 PHE H H 2.399 11.013 -6.458 1.00 . A A . 21 PHE H 1 1 10 3167 1 1 21 PHE HA H 1.207 13.446 -7.618 1.00 . A A . 21 PHE HA 1 1 10 3168 1 1 21 PHE HB2 H -0.134 11.170 -6.918 1.00 . A A . 21 PHE HB2 1 1 10 3169 1 1 21 PHE HB3 H -0.276 12.126 -5.446 1.00 . A A . 21 PHE HB3 1 1 10 3170 1 1 21 PHE HD1 H -0.513 14.842 -6.451 1.00 . A A . 21 PHE HD1 1 1 10 3171 1 1 21 PHE HD2 H -2.202 11.230 -7.939 1.00 . A A . 21 PHE HD2 1 1 10 3172 1 1 21 PHE HE1 H -2.357 16.123 -7.459 1.00 . A A . 21 PHE HE1 1 1 10 3173 1 1 21 PHE HE2 H -4.047 12.505 -8.950 1.00 . A A . 21 PHE HE2 1 1 10 3174 1 1 21 PHE HZ H -4.126 14.955 -8.711 1.00 . A A . 21 PHE HZ 1 1 10 3175 1 1 21 PHE N N 2.232 11.732 -7.105 1.00 . A A . 21 PHE N 1 1 10 3176 1 1 21 PHE O O 0.947 13.998 -4.741 1.00 . A A . 21 PHE O 1 1 10 3177 1 1 22 NH2 HN1 H 3.802 13.389 -6.158 1.00 . A A . 22 NH2 HN1 1 1 10 3178 1 1 22 NH2 HN2 H 3.577 14.300 -4.633 1.00 . A A . 22 NH2 HN2 1 1 10 3179 1 1 22 NH2 N N 3.227 13.789 -5.422 1.00 . A A . 22 NH2 N 1 1 10 3180 2 2 1 UNX UNK . -13.933 0.857 -11.622 1.00 . B A . 100 UNX UNK 1 1 11 3181 1 1 1 GLY C C -3.631 -15.865 0.636 1.00 . A A . 1 GLY C 1 1 11 3182 1 1 1 GLY CA C -3.374 -17.126 1.436 1.00 . A A . 1 GLY CA 1 1 11 3183 1 1 1 GLY H1 H -2.801 -18.150 -0.291 1.00 . A A . 1 GLY H1 1 1 11 3184 1 1 1 GLY H2 H -1.624 -18.098 0.841 1.00 . A A . 1 GLY H2 1 1 11 3185 1 1 1 GLY H3 H -2.742 -19.066 0.869 1.00 . A A . 1 GLY H3 1 1 11 3186 1 1 1 GLY HA2 H -4.322 -17.560 1.720 1.00 . A A . 1 GLY HA2 1 1 11 3187 1 1 1 GLY HA3 H -2.826 -16.866 2.330 1.00 . A A . 1 GLY HA3 1 1 11 3188 1 1 1 GLY N N -2.613 -18.111 0.690 1.00 . A A . 1 GLY N 1 1 11 3189 1 1 1 GLY O O -2.695 -15.168 0.243 1.00 . A A . 1 GLY O 1 1 11 3190 1 1 2 LEU C C -4.666 -13.128 0.240 1.00 . A A . 2 LEU C 1 1 11 3191 1 1 2 LEU CA C -5.282 -14.384 -0.369 1.00 . A A . 2 LEU CA 1 1 11 3192 1 1 2 LEU CB C -6.804 -14.248 -0.416 1.00 . A A . 2 LEU CB 1 1 11 3193 1 1 2 LEU CD1 C -7.520 -13.769 -2.770 1.00 . A A . 2 LEU CD1 1 1 11 3194 1 1 2 LEU CD2 C -8.679 -12.643 -0.859 1.00 . A A . 2 LEU CD2 1 1 11 3195 1 1 2 LEU CG C -7.354 -13.191 -1.373 1.00 . A A . 2 LEU CG 1 1 11 3196 1 1 2 LEU H H -5.605 -16.163 0.731 1.00 . A A . 2 LEU H 1 1 11 3197 1 1 2 LEU HA H -4.907 -14.503 -1.375 1.00 . A A . 2 LEU HA 1 1 11 3198 1 1 2 LEU HB2 H -7.212 -15.203 -0.709 1.00 . A A . 2 LEU HB2 1 1 11 3199 1 1 2 LEU HB3 H -7.145 -14.003 0.580 1.00 . A A . 2 LEU HB3 1 1 11 3200 1 1 2 LEU HD11 H -7.595 -12.965 -3.485 1.00 . A A . 2 LEU HD11 1 1 11 3201 1 1 2 LEU HD12 H -8.417 -14.369 -2.807 1.00 . A A . 2 LEU HD12 1 1 11 3202 1 1 2 LEU HD13 H -6.665 -14.385 -3.008 1.00 . A A . 2 LEU HD13 1 1 11 3203 1 1 2 LEU HD21 H -8.671 -12.638 0.220 1.00 . A A . 2 LEU HD21 1 1 11 3204 1 1 2 LEU HD22 H -9.487 -13.269 -1.211 1.00 . A A . 2 LEU HD22 1 1 11 3205 1 1 2 LEU HD23 H -8.818 -11.637 -1.223 1.00 . A A . 2 LEU HD23 1 1 11 3206 1 1 2 LEU HG H -6.653 -12.369 -1.433 1.00 . A A . 2 LEU HG 1 1 11 3207 1 1 2 LEU N N -4.903 -15.570 0.392 1.00 . A A . 2 LEU N 1 1 11 3208 1 1 2 LEU O O -3.816 -12.481 -0.371 1.00 . A A . 2 LEU O 1 1 11 3209 1 1 3 PHE C C -3.070 -11.653 2.242 1.00 . A A . 3 PHE C 1 1 11 3210 1 1 3 PHE CA C -4.591 -11.611 2.143 1.00 . A A . 3 PHE CA 1 1 11 3211 1 1 3 PHE CB C -5.203 -11.513 3.542 1.00 . A A . 3 PHE CB 1 1 11 3212 1 1 3 PHE CD1 C -5.057 -9.103 4.226 1.00 . A A . 3 PHE CD1 1 1 11 3213 1 1 3 PHE CD2 C -7.201 -10.003 3.700 1.00 . A A . 3 PHE CD2 1 1 11 3214 1 1 3 PHE CE1 C -5.634 -7.874 4.491 1.00 . A A . 3 PHE CE1 1 1 11 3215 1 1 3 PHE CE2 C -7.783 -8.778 3.962 1.00 . A A . 3 PHE CE2 1 1 11 3216 1 1 3 PHE CG C -5.833 -10.180 3.828 1.00 . A A . 3 PHE CG 1 1 11 3217 1 1 3 PHE CZ C -6.999 -7.712 4.359 1.00 . A A . 3 PHE CZ 1 1 11 3218 1 1 3 PHE H H -5.780 -13.345 1.887 1.00 . A A . 3 PHE H 1 1 11 3219 1 1 3 PHE HA H -4.879 -10.742 1.571 1.00 . A A . 3 PHE HA 1 1 11 3220 1 1 3 PHE HB2 H -5.966 -12.269 3.648 1.00 . A A . 3 PHE HB2 1 1 11 3221 1 1 3 PHE HB3 H -4.430 -11.681 4.277 1.00 . A A . 3 PHE HB3 1 1 11 3222 1 1 3 PHE HD1 H -3.989 -9.229 4.330 1.00 . A A . 3 PHE HD1 1 1 11 3223 1 1 3 PHE HD2 H -7.817 -10.836 3.391 1.00 . A A . 3 PHE HD2 1 1 11 3224 1 1 3 PHE HE1 H -5.018 -7.044 4.801 1.00 . A A . 3 PHE HE1 1 1 11 3225 1 1 3 PHE HE2 H -8.851 -8.654 3.859 1.00 . A A . 3 PHE HE2 1 1 11 3226 1 1 3 PHE HZ H -7.452 -6.754 4.564 1.00 . A A . 3 PHE HZ 1 1 11 3227 1 1 3 PHE N N -5.101 -12.789 1.450 1.00 . A A . 3 PHE N 1 1 11 3228 1 1 3 PHE O O -2.411 -10.616 2.299 1.00 . A A . 3 PHE O 1 1 11 3229 1 1 4 GLY C C -0.337 -12.197 1.321 1.00 . A A . 4 GLY C 1 1 11 3230 1 1 4 GLY CA C -1.077 -13.019 2.357 1.00 . A A . 4 GLY CA 1 1 11 3231 1 1 4 GLY H H -3.092 -13.655 2.216 1.00 . A A . 4 GLY H 1 1 11 3232 1 1 4 GLY HA2 H -0.756 -12.713 3.342 1.00 . A A . 4 GLY HA2 1 1 11 3233 1 1 4 GLY HA3 H -0.831 -14.061 2.217 1.00 . A A . 4 GLY HA3 1 1 11 3234 1 1 4 GLY N N -2.517 -12.863 2.263 1.00 . A A . 4 GLY N 1 1 11 3235 1 1 4 GLY O O 0.784 -11.749 1.560 1.00 . A A . 4 GLY O 1 1 11 3236 1 1 5 VAL C C -0.854 -9.788 -0.904 1.00 . A A . 5 VAL C 1 1 11 3237 1 1 5 VAL CA C -0.356 -11.229 -0.912 1.00 . A A . 5 VAL CA 1 1 11 3238 1 1 5 VAL CB C -0.653 -11.854 -2.288 1.00 . A A . 5 VAL CB 1 1 11 3239 1 1 5 VAL CG1 C -0.040 -11.016 -3.400 1.00 . A A . 5 VAL CG1 1 1 11 3240 1 1 5 VAL CG2 C -0.139 -13.285 -2.344 1.00 . A A . 5 VAL CG2 1 1 11 3241 1 1 5 VAL H H -1.855 -12.386 0.033 1.00 . A A . 5 VAL H 1 1 11 3242 1 1 5 VAL HA H 0.714 -11.231 -0.763 1.00 . A A . 5 VAL HA 1 1 11 3243 1 1 5 VAL HB H -1.723 -11.873 -2.429 1.00 . A A . 5 VAL HB 1 1 11 3244 1 1 5 VAL HG11 H -0.107 -11.554 -4.334 1.00 . A A . 5 VAL HG11 1 1 11 3245 1 1 5 VAL HG12 H -0.574 -10.081 -3.481 1.00 . A A . 5 VAL HG12 1 1 11 3246 1 1 5 VAL HG13 H 0.998 -10.821 -3.172 1.00 . A A . 5 VAL HG13 1 1 11 3247 1 1 5 VAL HG21 H 0.856 -13.327 -1.928 1.00 . A A . 5 VAL HG21 1 1 11 3248 1 1 5 VAL HG22 H -0.796 -13.927 -1.772 1.00 . A A . 5 VAL HG22 1 1 11 3249 1 1 5 VAL HG23 H -0.115 -13.620 -3.370 1.00 . A A . 5 VAL HG23 1 1 11 3250 1 1 5 VAL N N -0.963 -12.002 0.164 1.00 . A A . 5 VAL N 1 1 11 3251 1 1 5 VAL O O -0.191 -8.887 -1.419 1.00 . A A . 5 VAL O 1 1 11 3252 1 1 6 LEU C C -1.631 -7.250 0.375 1.00 . A A . 6 LEU C 1 1 11 3253 1 1 6 LEU CA C -2.613 -8.244 -0.236 1.00 . A A . 6 LEU CA 1 1 11 3254 1 1 6 LEU CB C -3.900 -8.280 0.590 1.00 . A A . 6 LEU CB 1 1 11 3255 1 1 6 LEU CD1 C -6.379 -8.617 0.757 1.00 . A A . 6 LEU CD1 1 1 11 3256 1 1 6 LEU CD2 C -5.411 -7.443 -1.228 1.00 . A A . 6 LEU CD2 1 1 11 3257 1 1 6 LEU CG C -5.192 -8.533 -0.190 1.00 . A A . 6 LEU CG 1 1 11 3258 1 1 6 LEU H H -2.507 -10.334 0.079 1.00 . A A . 6 LEU H 1 1 11 3259 1 1 6 LEU HA H -2.849 -7.927 -1.242 1.00 . A A . 6 LEU HA 1 1 11 3260 1 1 6 LEU HB2 H -3.799 -9.063 1.325 1.00 . A A . 6 LEU HB2 1 1 11 3261 1 1 6 LEU HB3 H -3.997 -7.328 1.092 1.00 . A A . 6 LEU HB3 1 1 11 3262 1 1 6 LEU HD11 H -6.560 -9.649 1.017 1.00 . A A . 6 LEU HD11 1 1 11 3263 1 1 6 LEU HD12 H -7.254 -8.208 0.274 1.00 . A A . 6 LEU HD12 1 1 11 3264 1 1 6 LEU HD13 H -6.165 -8.051 1.652 1.00 . A A . 6 LEU HD13 1 1 11 3265 1 1 6 LEU HD21 H -4.616 -6.715 -1.159 1.00 . A A . 6 LEU HD21 1 1 11 3266 1 1 6 LEU HD22 H -6.358 -6.958 -1.046 1.00 . A A . 6 LEU HD22 1 1 11 3267 1 1 6 LEU HD23 H -5.413 -7.881 -2.215 1.00 . A A . 6 LEU HD23 1 1 11 3268 1 1 6 LEU HG H -5.111 -9.479 -0.708 1.00 . A A . 6 LEU HG 1 1 11 3269 1 1 6 LEU N N -2.025 -9.577 -0.313 1.00 . A A . 6 LEU N 1 1 11 3270 1 1 6 LEU O O -1.687 -6.054 0.092 1.00 . A A . 6 LEU O 1 1 11 3271 1 1 7 ALA C C 1.148 -6.213 0.829 1.00 . A A . 7 ALA C 1 1 11 3272 1 1 7 ALA CA C 0.267 -6.912 1.859 1.00 . A A . 7 ALA CA 1 1 11 3273 1 1 7 ALA CB C 1.118 -7.738 2.812 1.00 . A A . 7 ALA CB 1 1 11 3274 1 1 7 ALA H H -0.737 -8.716 1.398 1.00 . A A . 7 ALA H 1 1 11 3275 1 1 7 ALA HA H -0.254 -6.163 2.440 1.00 . A A . 7 ALA HA 1 1 11 3276 1 1 7 ALA HB1 H 2.079 -7.932 2.357 1.00 . A A . 7 ALA HB1 1 1 11 3277 1 1 7 ALA HB2 H 1.258 -7.193 3.734 1.00 . A A . 7 ALA HB2 1 1 11 3278 1 1 7 ALA HB3 H 0.622 -8.674 3.018 1.00 . A A . 7 ALA HB3 1 1 11 3279 1 1 7 ALA N N -0.731 -7.755 1.212 1.00 . A A . 7 ALA N 1 1 11 3280 1 1 7 ALA O O 1.703 -5.146 1.092 1.00 . A A . 7 ALA O 1 1 11 3281 1 1 8 LYS C C 1.507 -4.934 -1.901 1.00 . A A . 8 LYS C 1 1 11 3282 1 1 8 LYS CA C 2.086 -6.260 -1.417 1.00 . A A . 8 LYS CA 1 1 11 3283 1 1 8 LYS CB C 2.180 -7.244 -2.585 1.00 . A A . 8 LYS CB 1 1 11 3284 1 1 8 LYS CD C 3.530 -7.792 -4.631 1.00 . A A . 8 LYS CD 1 1 11 3285 1 1 8 LYS CE C 4.543 -8.891 -4.914 1.00 . A A . 8 LYS CE 1 1 11 3286 1 1 8 LYS CG C 3.574 -7.355 -3.176 1.00 . A A . 8 LYS CG 1 1 11 3287 1 1 8 LYS H H 0.805 -7.671 -0.496 1.00 . A A . 8 LYS H 1 1 11 3288 1 1 8 LYS HA H 3.076 -6.084 -1.024 1.00 . A A . 8 LYS HA 1 1 11 3289 1 1 8 LYS HB2 H 1.879 -8.222 -2.240 1.00 . A A . 8 LYS HB2 1 1 11 3290 1 1 8 LYS HB3 H 1.505 -6.923 -3.365 1.00 . A A . 8 LYS HB3 1 1 11 3291 1 1 8 LYS HD2 H 2.541 -8.162 -4.856 1.00 . A A . 8 LYS HD2 1 1 11 3292 1 1 8 LYS HD3 H 3.750 -6.941 -5.259 1.00 . A A . 8 LYS HD3 1 1 11 3293 1 1 8 LYS HE2 H 5.493 -8.604 -4.492 1.00 . A A . 8 LYS HE2 1 1 11 3294 1 1 8 LYS HE3 H 4.203 -9.804 -4.446 1.00 . A A . 8 LYS HE3 1 1 11 3295 1 1 8 LYS HG2 H 4.059 -6.392 -3.115 1.00 . A A . 8 LYS HG2 1 1 11 3296 1 1 8 LYS HG3 H 4.140 -8.081 -2.608 1.00 . A A . 8 LYS HG3 1 1 11 3297 1 1 8 LYS HZ1 H 4.388 -8.296 -6.910 1.00 . A A . 8 LYS HZ1 1 1 11 3298 1 1 8 LYS HZ2 H 4.154 -9.954 -6.668 1.00 . A A . 8 LYS HZ2 1 1 11 3299 1 1 8 LYS HZ3 H 5.713 -9.301 -6.595 1.00 . A A . 8 LYS HZ3 1 1 11 3300 1 1 8 LYS N N 1.273 -6.822 -0.345 1.00 . A A . 8 LYS N 1 1 11 3301 1 1 8 LYS NZ N 4.711 -9.127 -6.374 1.00 . A A . 8 LYS NZ 1 1 11 3302 1 1 8 LYS O O 2.178 -4.167 -2.592 1.00 . A A . 8 LYS O 1 1 11 3303 1 1 9 VAL C C -1.245 -2.872 -0.782 1.00 . A A . 9 VAL C 1 1 11 3304 1 1 9 VAL CA C -0.411 -3.436 -1.928 1.00 . A A . 9 VAL CA 1 1 11 3305 1 1 9 VAL CB C -1.321 -3.657 -3.150 1.00 . A A . 9 VAL CB 1 1 11 3306 1 1 9 VAL CG1 C -2.459 -4.606 -2.806 1.00 . A A . 9 VAL CG1 1 1 11 3307 1 1 9 VAL CG2 C -1.860 -2.328 -3.660 1.00 . A A . 9 VAL CG2 1 1 11 3308 1 1 9 VAL H H -0.227 -5.321 -0.982 1.00 . A A . 9 VAL H 1 1 11 3309 1 1 9 VAL HA H 0.348 -2.715 -2.195 1.00 . A A . 9 VAL HA 1 1 11 3310 1 1 9 VAL HB H -0.732 -4.107 -3.935 1.00 . A A . 9 VAL HB 1 1 11 3311 1 1 9 VAL HG11 H -2.727 -5.178 -3.681 1.00 . A A . 9 VAL HG11 1 1 11 3312 1 1 9 VAL HG12 H -2.144 -5.275 -2.019 1.00 . A A . 9 VAL HG12 1 1 11 3313 1 1 9 VAL HG13 H -3.314 -4.036 -2.472 1.00 . A A . 9 VAL HG13 1 1 11 3314 1 1 9 VAL HG21 H -2.032 -2.395 -4.724 1.00 . A A . 9 VAL HG21 1 1 11 3315 1 1 9 VAL HG22 H -2.790 -2.101 -3.159 1.00 . A A . 9 VAL HG22 1 1 11 3316 1 1 9 VAL HG23 H -1.142 -1.547 -3.459 1.00 . A A . 9 VAL HG23 1 1 11 3317 1 1 9 VAL N N 0.257 -4.670 -1.533 1.00 . A A . 9 VAL N 1 1 11 3318 1 1 9 VAL O O -2.424 -2.560 -0.954 1.00 . A A . 9 VAL O 1 1 11 3319 1 1 10 ALA C C -0.335 -1.996 2.711 1.00 . A A . 10 ALA C 1 1 11 3320 1 1 10 ALA CA C -1.311 -2.216 1.560 1.00 . A A . 10 ALA CA 1 1 11 3321 1 1 10 ALA CB C -2.430 -3.155 1.986 1.00 . A A . 10 ALA CB 1 1 11 3322 1 1 10 ALA H H 0.313 -3.011 0.461 1.00 . A A . 10 ALA H 1 1 11 3323 1 1 10 ALA HA H -1.753 -1.268 1.289 1.00 . A A . 10 ALA HA 1 1 11 3324 1 1 10 ALA HB1 H -2.093 -3.762 2.814 1.00 . A A . 10 ALA HB1 1 1 11 3325 1 1 10 ALA HB2 H -3.289 -2.577 2.288 1.00 . A A . 10 ALA HB2 1 1 11 3326 1 1 10 ALA HB3 H -2.699 -3.793 1.157 1.00 . A A . 10 ALA HB3 1 1 11 3327 1 1 10 ALA N N -0.626 -2.745 0.387 1.00 . A A . 10 ALA N 1 1 11 3328 1 1 10 ALA O O -0.002 -2.956 3.378 1.00 . A A . 10 ALA O 1 1 11 3329 1 1 11 . C C 2.367 0.563 3.337 1.00 . A A . 11 I4G C 1 1 11 3330 1 1 11 . CA C 1.185 -0.181 3.909 1.00 . A A . 11 I4G CA 1 1 11 3331 1 1 11 . CB C -0.295 0.573 2.082 1.00 . A A . 11 I4G CB 1 1 11 3332 1 1 11 . CD1 C -1.316 2.332 3.636 1.00 . A A . 11 I4G CD1 1 1 11 3333 1 1 11 . CD2 C -2.425 1.775 1.436 1.00 . A A . 11 I4G CD2 1 1 11 3334 1 1 11 . CG C -1.606 1.207 2.612 1.00 . A A . 11 I4G CG 1 1 11 3335 1 1 11 . HA2 H 1.513 -1.027 4.330 1.00 . A A . 11 I4G HA2 1 1 11 3336 1 1 11 . HA3 H 0.752 0.392 4.605 1.00 . A A . 11 I4G HA3 1 1 11 3337 1 1 11 . HB2 H -0.436 0.219 1.157 1.00 . A A . 11 I4G HB2 1 1 11 3338 1 1 11 . HB3 H 0.435 1.255 2.071 1.00 . A A . 11 I4G HB3 1 1 11 3339 1 1 11 . HD11 H -2.247 2.788 3.977 1.00 . A A . 11 I4G HD11 1 1 11 3340 1 1 11 . HD12 H -0.793 1.936 4.506 1.00 . A A . 11 I4G HD12 1 1 11 3341 1 1 11 . HD13 H -0.693 3.107 3.185 1.00 . A A . 11 I4G HD13 1 1 11 3342 1 1 11 . HD21 H -3.363 2.205 1.791 1.00 . A A . 11 I4G HD21 1 1 11 3343 1 1 11 . HD22 H -1.862 2.554 0.914 1.00 . A A . 11 I4G HD22 1 1 11 3344 1 1 11 . HD23 H -2.662 0.986 0.718 1.00 . A A . 11 I4G HD23 1 1 11 3345 1 1 11 . HG H -2.207 0.436 3.101 1.00 . A A . 11 I4G HG 1 1 11 3346 1 1 11 . N N 0.149 -0.546 2.927 1.00 . A A . 11 I4G N 1 1 11 3347 1 1 11 . O O 2.932 1.468 3.952 1.00 . A A . 11 I4G O 1 1 11 3348 1 1 12 HIS C C 3.332 1.507 0.132 1.00 . A A . 12 HIS C 1 1 11 3349 1 1 12 HIS CA C 3.826 0.829 1.407 1.00 . A A . 12 HIS CA 1 1 11 3350 1 1 12 HIS CB C 4.910 -0.194 1.067 1.00 . A A . 12 HIS CB 1 1 11 3351 1 1 12 HIS CD2 C 3.367 -1.858 -0.192 1.00 . A A . 12 HIS CD2 1 1 11 3352 1 1 12 HIS CE1 C 4.182 -3.725 0.620 1.00 . A A . 12 HIS CE1 1 1 11 3353 1 1 12 HIS CG C 4.365 -1.530 0.663 1.00 . A A . 12 HIS CG 1 1 11 3354 1 1 12 HIS H H 2.235 -0.541 1.676 1.00 . A A . 12 HIS H 1 1 11 3355 1 1 12 HIS HA H 4.245 1.581 2.060 1.00 . A A . 12 HIS HA 1 1 11 3356 1 1 12 HIS HB2 H 5.507 0.181 0.250 1.00 . A A . 12 HIS HB2 1 1 11 3357 1 1 12 HIS HB3 H 5.541 -0.340 1.931 1.00 . A A . 12 HIS HB3 1 1 11 3358 1 1 12 HIS HD1 H 5.585 -2.818 1.800 1.00 . A A . 12 HIS HD1 1 1 11 3359 1 1 12 HIS HD2 H 2.758 -1.170 -0.761 1.00 . A A . 12 HIS HD2 1 1 11 3360 1 1 12 HIS HE1 H 4.345 -4.773 0.820 1.00 . A A . 12 HIS HE1 1 1 11 3361 1 1 12 HIS N N 2.724 0.186 2.114 1.00 . A A . 12 HIS N 1 1 11 3362 1 1 12 HIS ND1 N 4.854 -2.721 1.156 1.00 . A A . 12 HIS ND1 1 1 11 3363 1 1 12 HIS NE2 N 3.273 -3.228 -0.200 1.00 . A A . 12 HIS NE2 1 1 11 3364 1 1 12 HIS O O 4.071 2.249 -0.515 1.00 . A A . 12 HIS O 1 1 11 3365 1 1 13 VAL C C 1.532 3.354 -1.369 1.00 . A A . 13 VAL C 1 1 11 3366 1 1 13 VAL CA C 1.485 1.831 -1.420 1.00 . A A . 13 VAL CA 1 1 11 3367 1 1 13 VAL CB C 0.023 1.379 -1.600 1.00 . A A . 13 VAL CB 1 1 11 3368 1 1 13 VAL CG1 C -0.555 1.944 -2.888 1.00 . A A . 13 VAL CG1 1 1 11 3369 1 1 13 VAL CG2 C -0.070 -0.139 -1.585 1.00 . A A . 13 VAL CG2 1 1 11 3370 1 1 13 VAL H H 1.539 0.647 0.334 1.00 . A A . 13 VAL H 1 1 11 3371 1 1 13 VAL HA H 2.053 1.492 -2.274 1.00 . A A . 13 VAL HA 1 1 11 3372 1 1 13 VAL HB H -0.555 1.763 -0.773 1.00 . A A . 13 VAL HB 1 1 11 3373 1 1 13 VAL HG11 H 0.251 2.248 -3.542 1.00 . A A . 13 VAL HG11 1 1 11 3374 1 1 13 VAL HG12 H -1.152 1.188 -3.377 1.00 . A A . 13 VAL HG12 1 1 11 3375 1 1 13 VAL HG13 H -1.174 2.799 -2.661 1.00 . A A . 13 VAL HG13 1 1 11 3376 1 1 13 VAL HG21 H 0.522 -0.544 -2.393 1.00 . A A . 13 VAL HG21 1 1 11 3377 1 1 13 VAL HG22 H 0.304 -0.514 -0.642 1.00 . A A . 13 VAL HG22 1 1 11 3378 1 1 13 VAL HG23 H -1.101 -0.438 -1.707 1.00 . A A . 13 VAL HG23 1 1 11 3379 1 1 13 VAL N N 2.078 1.246 -0.223 1.00 . A A . 13 VAL N 1 1 11 3380 1 1 13 VAL O O 1.986 4.004 -2.311 1.00 . A A . 13 VAL O 1 1 11 3381 1 1 14 VAL C C 2.422 5.964 -0.373 1.00 . A A . 14 VAL C 1 1 11 3382 1 1 14 VAL CA C 1.049 5.366 -0.087 1.00 . A A . 14 VAL CA 1 1 11 3383 1 1 14 VAL CB C 0.620 5.755 1.340 1.00 . A A . 14 VAL CB 1 1 11 3384 1 1 14 VAL CG1 C 0.650 7.266 1.514 1.00 . A A . 14 VAL CG1 1 1 11 3385 1 1 14 VAL CG2 C -0.763 5.202 1.650 1.00 . A A . 14 VAL CG2 1 1 11 3386 1 1 14 VAL H H 0.711 3.348 0.454 1.00 . A A . 14 VAL H 1 1 11 3387 1 1 14 VAL HA H 0.334 5.781 -0.782 1.00 . A A . 14 VAL HA 1 1 11 3388 1 1 14 VAL HB H 1.321 5.321 2.037 1.00 . A A . 14 VAL HB 1 1 11 3389 1 1 14 VAL HG11 H 1.483 7.539 2.144 1.00 . A A . 14 VAL HG11 1 1 11 3390 1 1 14 VAL HG12 H 0.756 7.737 0.548 1.00 . A A . 14 VAL HG12 1 1 11 3391 1 1 14 VAL HG13 H -0.271 7.593 1.974 1.00 . A A . 14 VAL HG13 1 1 11 3392 1 1 14 VAL HG21 H -0.774 4.138 1.465 1.00 . A A . 14 VAL HG21 1 1 11 3393 1 1 14 VAL HG22 H -1.003 5.390 2.686 1.00 . A A . 14 VAL HG22 1 1 11 3394 1 1 14 VAL HG23 H -1.494 5.685 1.018 1.00 . A A . 14 VAL HG23 1 1 11 3395 1 1 14 VAL N N 1.060 3.918 -0.262 1.00 . A A . 14 VAL N 1 1 11 3396 1 1 14 VAL O O 2.532 7.032 -0.974 1.00 . A A . 14 VAL O 1 1 11 3397 1 1 15 GLY C C 5.131 5.951 -1.627 1.00 . A A . 15 GLY C 1 1 11 3398 1 1 15 GLY CA C 4.821 5.745 -0.158 1.00 . A A . 15 GLY CA 1 1 11 3399 1 1 15 GLY H H 3.319 4.423 0.535 1.00 . A A . 15 GLY H 1 1 11 3400 1 1 15 GLY HA2 H 4.947 6.683 0.361 1.00 . A A . 15 GLY HA2 1 1 11 3401 1 1 15 GLY HA3 H 5.515 5.024 0.248 1.00 . A A . 15 GLY HA3 1 1 11 3402 1 1 15 GLY N N 3.468 5.267 0.062 1.00 . A A . 15 GLY N 1 1 11 3403 1 1 15 GLY O O 5.966 6.783 -1.981 1.00 . A A . 15 GLY O 1 1 11 3404 1 1 16 ALA C C 3.658 6.243 -4.558 1.00 . A A . 16 ALA C 1 1 11 3405 1 1 16 ALA CA C 4.668 5.293 -3.924 1.00 . A A . 16 ALA CA 1 1 11 3406 1 1 16 ALA CB C 4.580 3.919 -4.570 1.00 . A A . 16 ALA CB 1 1 11 3407 1 1 16 ALA H H 3.806 4.545 -2.141 1.00 . A A . 16 ALA H 1 1 11 3408 1 1 16 ALA HA H 5.663 5.679 -4.090 1.00 . A A . 16 ALA HA 1 1 11 3409 1 1 16 ALA HB1 H 5.206 3.895 -5.450 1.00 . A A . 16 ALA HB1 1 1 11 3410 1 1 16 ALA HB2 H 4.917 3.169 -3.868 1.00 . A A . 16 ALA HB2 1 1 11 3411 1 1 16 ALA HB3 H 3.557 3.718 -4.849 1.00 . A A . 16 ALA HB3 1 1 11 3412 1 1 16 ALA N N 4.459 5.190 -2.485 1.00 . A A . 16 ALA N 1 1 11 3413 1 1 16 ALA O O 4.022 7.110 -5.354 1.00 . A A . 16 ALA O 1 1 11 3414 1 1 17 ILE C C 1.605 8.393 -4.460 1.00 . A A . 17 ILE C 1 1 11 3415 1 1 17 ILE CA C 1.328 6.918 -4.737 1.00 . A A . 17 ILE CA 1 1 11 3416 1 1 17 ILE CB C -0.042 6.545 -4.140 1.00 . A A . 17 ILE CB 1 1 11 3417 1 1 17 ILE CD1 C -0.339 4.697 -5.865 1.00 . A A . 17 ILE CD1 1 1 11 3418 1 1 17 ILE CG1 C -0.351 5.068 -4.399 1.00 . A A . 17 ILE CG1 1 1 11 3419 1 1 17 ILE CG2 C -1.133 7.429 -4.724 1.00 . A A . 17 ILE CG2 1 1 11 3420 1 1 17 ILE H H 2.162 5.368 -3.563 1.00 . A A . 17 ILE H 1 1 11 3421 1 1 17 ILE HA H 1.287 6.765 -5.805 1.00 . A A . 17 ILE HA 1 1 11 3422 1 1 17 ILE HB H -0.006 6.716 -3.076 1.00 . A A . 17 ILE HB 1 1 11 3423 1 1 17 ILE HD11 H 0.671 4.749 -6.243 1.00 . A A . 17 ILE HD11 1 1 11 3424 1 1 17 ILE HD12 H -0.720 3.694 -5.986 1.00 . A A . 17 ILE HD12 1 1 11 3425 1 1 17 ILE HD13 H -0.963 5.387 -6.415 1.00 . A A . 17 ILE HD13 1 1 11 3426 1 1 17 ILE HG12 H 0.386 4.461 -3.898 1.00 . A A . 17 ILE HG12 1 1 11 3427 1 1 17 ILE HG13 H -1.330 4.839 -4.005 1.00 . A A . 17 ILE HG13 1 1 11 3428 1 1 17 ILE HG21 H -1.079 7.403 -5.803 1.00 . A A . 17 ILE HG21 1 1 11 3429 1 1 17 ILE HG22 H -2.099 7.068 -4.405 1.00 . A A . 17 ILE HG22 1 1 11 3430 1 1 17 ILE HG23 H -0.997 8.444 -4.382 1.00 . A A . 17 ILE HG23 1 1 11 3431 1 1 17 ILE N N 2.390 6.075 -4.202 1.00 . A A . 17 ILE N 1 1 11 3432 1 1 17 ILE O O 1.293 9.256 -5.279 1.00 . A A . 17 ILE O 1 1 11 3433 1 1 18 ALA C C 3.734 10.551 -3.684 1.00 . A A . 18 ALA C 1 1 11 3434 1 1 18 ALA CA C 2.517 10.041 -2.921 1.00 . A A . 18 ALA CA 1 1 11 3435 1 1 18 ALA CB C 2.758 10.126 -1.421 1.00 . A A . 18 ALA CB 1 1 11 3436 1 1 18 ALA H H 2.418 7.939 -2.692 1.00 . A A . 18 ALA H 1 1 11 3437 1 1 18 ALA HA H 1.668 10.663 -3.160 1.00 . A A . 18 ALA HA 1 1 11 3438 1 1 18 ALA HB1 H 2.720 11.161 -1.110 1.00 . A A . 18 ALA HB1 1 1 11 3439 1 1 18 ALA HB2 H 1.996 9.565 -0.901 1.00 . A A . 18 ALA HB2 1 1 11 3440 1 1 18 ALA HB3 H 3.730 9.716 -1.189 1.00 . A A . 18 ALA HB3 1 1 11 3441 1 1 18 ALA N N 2.194 8.672 -3.303 1.00 . A A . 18 ALA N 1 1 11 3442 1 1 18 ALA O O 4.044 11.741 -3.651 1.00 . A A . 18 ALA O 1 1 11 3443 1 1 19 GLU C C 5.218 10.687 -6.448 1.00 . A A . 19 GLU C 1 1 11 3444 1 1 19 GLU CA C 5.605 10.001 -5.141 1.00 . A A . 19 GLU CA 1 1 11 3445 1 1 19 GLU CB C 6.447 8.758 -5.434 1.00 . A A . 19 GLU CB 1 1 11 3446 1 1 19 GLU CD C 8.691 7.880 -6.194 1.00 . A A . 19 GLU CD 1 1 11 3447 1 1 19 GLU CG C 7.928 9.053 -5.609 1.00 . A A . 19 GLU CG 1 1 11 3448 1 1 19 GLU H H 4.124 8.708 -4.357 1.00 . A A . 19 GLU H 1 1 11 3449 1 1 19 GLU HA H 6.190 10.689 -4.548 1.00 . A A . 19 GLU HA 1 1 11 3450 1 1 19 GLU HB2 H 6.334 8.060 -4.618 1.00 . A A . 19 GLU HB2 1 1 11 3451 1 1 19 GLU HB3 H 6.084 8.298 -6.341 1.00 . A A . 19 GLU HB3 1 1 11 3452 1 1 19 GLU HG2 H 8.037 9.900 -6.271 1.00 . A A . 19 GLU HG2 1 1 11 3453 1 1 19 GLU HG3 H 8.351 9.294 -4.645 1.00 . A A . 19 GLU HG3 1 1 11 3454 1 1 19 GLU N N 4.421 9.642 -4.370 1.00 . A A . 19 GLU N 1 1 11 3455 1 1 19 GLU O O 5.742 11.748 -6.786 1.00 . A A . 19 GLU O 1 1 11 3456 1 1 19 GLU OE1 O 8.762 7.779 -7.436 1.00 . A A . 19 GLU OE1 1 1 11 3457 1 1 19 GLU OE2 O 9.217 7.064 -5.408 1.00 . A A . 19 GLU OE2 1 1 11 3458 1 1 20 HIS C C 2.852 11.765 -8.224 1.00 . A A . 20 HIS C 1 1 11 3459 1 1 20 HIS CA C 3.834 10.621 -8.450 1.00 . A A . 20 HIS CA 1 1 11 3460 1 1 20 HIS CB C 3.177 9.528 -9.295 1.00 . A A . 20 HIS CB 1 1 11 3461 1 1 20 HIS CD2 C 1.071 8.623 -8.084 1.00 . A A . 20 HIS CD2 1 1 11 3462 1 1 20 HIS CE1 C -0.453 9.643 -9.284 1.00 . A A . 20 HIS CE1 1 1 11 3463 1 1 20 HIS CG C 1.715 9.357 -9.020 1.00 . A A . 20 HIS CG 1 1 11 3464 1 1 20 HIS H H 3.912 9.228 -6.858 1.00 . A A . 20 HIS H 1 1 11 3465 1 1 20 HIS HA H 4.696 11.002 -8.978 1.00 . A A . 20 HIS HA 1 1 11 3466 1 1 20 HIS HB2 H 3.292 9.773 -10.340 1.00 . A A . 20 HIS HB2 1 1 11 3467 1 1 20 HIS HB3 H 3.666 8.585 -9.096 1.00 . A A . 20 HIS HB3 1 1 11 3468 1 1 20 HIS HD1 H 0.882 10.588 -10.512 1.00 . A A . 20 HIS HD1 1 1 11 3469 1 1 20 HIS HD2 H 1.530 7.998 -7.329 1.00 . A A . 20 HIS HD2 1 1 11 3470 1 1 20 HIS HE1 H -1.406 9.983 -9.663 1.00 . A A . 20 HIS HE1 1 1 11 3471 1 1 20 HIS N N 4.294 10.071 -7.180 1.00 . A A . 20 HIS N 1 1 11 3472 1 1 20 HIS ND1 N 0.732 9.983 -9.756 1.00 . A A . 20 HIS ND1 1 1 11 3473 1 1 20 HIS NE2 N -0.276 8.818 -8.268 1.00 . A A . 20 HIS NE2 1 1 11 3474 1 1 20 HIS O O 2.682 12.630 -9.083 1.00 . A A . 20 HIS O 1 1 11 3475 1 1 21 PHE C C 1.669 13.558 -5.471 1.00 . A A . 21 PHE C 1 1 11 3476 1 1 21 PHE CA C 1.239 12.800 -6.723 1.00 . A A . 21 PHE CA 1 1 11 3477 1 1 21 PHE CB C -0.146 12.186 -6.509 1.00 . A A . 21 PHE CB 1 1 11 3478 1 1 21 PHE CD1 C -1.276 12.905 -8.632 1.00 . A A . 21 PHE CD1 1 1 11 3479 1 1 21 PHE CD2 C -2.234 13.577 -6.554 1.00 . A A . 21 PHE CD2 1 1 11 3480 1 1 21 PHE CE1 C -2.282 13.566 -9.312 1.00 . A A . 21 PHE CE1 1 1 11 3481 1 1 21 PHE CE2 C -3.243 14.238 -7.229 1.00 . A A . 21 PHE CE2 1 1 11 3482 1 1 21 PHE CG C -1.240 12.904 -7.246 1.00 . A A . 21 PHE CG 1 1 11 3483 1 1 21 PHE CZ C -3.267 14.232 -8.610 1.00 . A A . 21 PHE CZ 1 1 11 3484 1 1 21 PHE H H 2.385 11.047 -6.417 1.00 . A A . 21 PHE H 1 1 11 3485 1 1 21 PHE HA H 1.193 13.492 -7.550 1.00 . A A . 21 PHE HA 1 1 11 3486 1 1 21 PHE HB2 H -0.134 11.161 -6.851 1.00 . A A . 21 PHE HB2 1 1 11 3487 1 1 21 PHE HB3 H -0.383 12.207 -5.457 1.00 . A A . 21 PHE HB3 1 1 11 3488 1 1 21 PHE HD1 H -0.507 12.384 -9.182 1.00 . A A . 21 PHE HD1 1 1 11 3489 1 1 21 PHE HD2 H -2.216 13.581 -5.473 1.00 . A A . 21 PHE HD2 1 1 11 3490 1 1 21 PHE HE1 H -2.298 13.559 -10.392 1.00 . A A . 21 PHE HE1 1 1 11 3491 1 1 21 PHE HE2 H -4.012 14.758 -6.677 1.00 . A A . 21 PHE HE2 1 1 11 3492 1 1 21 PHE HZ H -4.053 14.748 -9.139 1.00 . A A . 21 PHE HZ 1 1 11 3493 1 1 21 PHE N N 2.206 11.763 -7.062 1.00 . A A . 21 PHE N 1 1 11 3494 1 1 21 PHE O O 0.867 13.969 -4.669 1.00 . A A . 21 PHE O 1 1 11 3495 1 1 22 NH2 HN1 H 3.756 13.378 -6.025 1.00 . A A . 22 NH2 HN1 1 1 11 3496 1 1 22 NH2 HN2 H 3.495 14.249 -4.482 1.00 . A A . 22 NH2 HN2 1 1 11 3497 1 1 22 NH2 N N 3.163 13.762 -5.294 1.00 . A A . 22 NH2 N 1 1 11 3498 2 2 1 UNX UNK . -13.864 0.879 -11.753 1.00 . B A . 100 UNX UNK 1 1 12 3499 1 1 1 GLY C C -3.525 -15.967 0.367 1.00 . A A . 1 GLY C 1 1 12 3500 1 1 1 GLY CA C -3.275 -17.221 1.180 1.00 . A A . 1 GLY CA 1 1 12 3501 1 1 1 GLY H1 H -3.564 -17.620 3.209 1.00 . A A . 1 GLY H1 1 1 12 3502 1 1 1 GLY H2 H -4.482 -16.384 2.664 1.00 . A A . 1 GLY H2 1 1 12 3503 1 1 1 GLY H3 H -4.838 -17.808 2.482 1.00 . A A . 1 GLY H3 1 1 12 3504 1 1 1 GLY HA2 H -2.223 -17.279 1.420 1.00 . A A . 1 GLY HA2 1 1 12 3505 1 1 1 GLY HA3 H -3.546 -18.081 0.586 1.00 . A A . 1 GLY HA3 1 1 12 3506 1 1 1 GLY N N -4.039 -17.244 2.413 1.00 . A A . 1 GLY N 1 1 12 3507 1 1 1 GLY O O -2.586 -15.329 -0.111 1.00 . A A . 1 GLY O 1 1 12 3508 1 1 2 LEU C C -4.575 -13.166 0.070 1.00 . A A . 2 LEU C 1 1 12 3509 1 1 2 LEU CA C -5.167 -14.424 -0.555 1.00 . A A . 2 LEU CA 1 1 12 3510 1 1 2 LEU CB C -6.690 -14.300 -0.632 1.00 . A A . 2 LEU CB 1 1 12 3511 1 1 2 LEU CD1 C -7.301 -14.730 -3.025 1.00 . A A . 2 LEU CD1 1 1 12 3512 1 1 2 LEU CD2 C -8.632 -13.102 -1.671 1.00 . A A . 2 LEU CD2 1 1 12 3513 1 1 2 LEU CG C -7.250 -13.689 -1.918 1.00 . A A . 2 LEU CG 1 1 12 3514 1 1 2 LEU H H -5.500 -16.157 0.612 1.00 . A A . 2 LEU H 1 1 12 3515 1 1 2 LEU HA H -4.773 -14.535 -1.554 1.00 . A A . 2 LEU HA 1 1 12 3516 1 1 2 LEU HB2 H -7.108 -15.289 -0.527 1.00 . A A . 2 LEU HB2 1 1 12 3517 1 1 2 LEU HB3 H -7.013 -13.685 0.195 1.00 . A A . 2 LEU HB3 1 1 12 3518 1 1 2 LEU HD11 H -7.644 -14.268 -3.938 1.00 . A A . 2 LEU HD11 1 1 12 3519 1 1 2 LEU HD12 H -7.981 -15.521 -2.744 1.00 . A A . 2 LEU HD12 1 1 12 3520 1 1 2 LEU HD13 H -6.315 -15.142 -3.178 1.00 . A A . 2 LEU HD13 1 1 12 3521 1 1 2 LEU HD21 H -8.940 -12.532 -2.535 1.00 . A A . 2 LEU HD21 1 1 12 3522 1 1 2 LEU HD22 H -8.599 -12.454 -0.806 1.00 . A A . 2 LEU HD22 1 1 12 3523 1 1 2 LEU HD23 H -9.337 -13.900 -1.496 1.00 . A A . 2 LEU HD23 1 1 12 3524 1 1 2 LEU HG H -6.598 -12.890 -2.241 1.00 . A A . 2 LEU HG 1 1 12 3525 1 1 2 LEU N N -4.795 -15.611 0.207 1.00 . A A . 2 LEU N 1 1 12 3526 1 1 2 LEU O O -3.772 -12.469 -0.551 1.00 . A A . 2 LEU O 1 1 12 3527 1 1 3 PHE C C -2.957 -11.732 2.118 1.00 . A A . 3 PHE C 1 1 12 3528 1 1 3 PHE CA C -4.480 -11.708 2.017 1.00 . A A . 3 PHE CA 1 1 12 3529 1 1 3 PHE CB C -5.093 -11.639 3.418 1.00 . A A . 3 PHE CB 1 1 12 3530 1 1 3 PHE CD1 C -5.217 -9.248 4.167 1.00 . A A . 3 PHE CD1 1 1 12 3531 1 1 3 PHE CD2 C -7.220 -10.307 3.426 1.00 . A A . 3 PHE CD2 1 1 12 3532 1 1 3 PHE CE1 C -5.918 -8.080 4.405 1.00 . A A . 3 PHE CE1 1 1 12 3533 1 1 3 PHE CE2 C -7.926 -9.143 3.662 1.00 . A A . 3 PHE CE2 1 1 12 3534 1 1 3 PHE CG C -5.858 -10.372 3.675 1.00 . A A . 3 PHE CG 1 1 12 3535 1 1 3 PHE CZ C -7.274 -8.028 4.153 1.00 . A A . 3 PHE CZ 1 1 12 3536 1 1 3 PHE H H -5.614 -13.475 1.750 1.00 . A A . 3 PHE H 1 1 12 3537 1 1 3 PHE HA H -4.778 -10.833 1.459 1.00 . A A . 3 PHE HA 1 1 12 3538 1 1 3 PHE HB2 H -5.772 -12.468 3.547 1.00 . A A . 3 PHE HB2 1 1 12 3539 1 1 3 PHE HB3 H -4.304 -11.707 4.152 1.00 . A A . 3 PHE HB3 1 1 12 3540 1 1 3 PHE HD1 H -4.154 -9.287 4.364 1.00 . A A . 3 PHE HD1 1 1 12 3541 1 1 3 PHE HD2 H -7.732 -11.179 3.043 1.00 . A A . 3 PHE HD2 1 1 12 3542 1 1 3 PHE HE1 H -5.404 -7.211 4.788 1.00 . A A . 3 PHE HE1 1 1 12 3543 1 1 3 PHE HE2 H -8.987 -9.104 3.464 1.00 . A A . 3 PHE HE2 1 1 12 3544 1 1 3 PHE HZ H -7.824 -7.117 4.336 1.00 . A A . 3 PHE HZ 1 1 12 3545 1 1 3 PHE N N -4.973 -12.881 1.306 1.00 . A A . 3 PHE N 1 1 12 3546 1 1 3 PHE O O -2.312 -10.688 2.190 1.00 . A A . 3 PHE O 1 1 12 3547 1 1 4 GLY C C -0.217 -12.227 1.190 1.00 . A A . 4 GLY C 1 1 12 3548 1 1 4 GLY CA C -0.949 -13.073 2.213 1.00 . A A . 4 GLY CA 1 1 12 3549 1 1 4 GLY H H -2.954 -13.733 2.060 1.00 . A A . 4 GLY H 1 1 12 3550 1 1 4 GLY HA2 H -0.631 -12.778 3.202 1.00 . A A . 4 GLY HA2 1 1 12 3551 1 1 4 GLY HA3 H -0.688 -14.111 2.057 1.00 . A A . 4 GLY HA3 1 1 12 3552 1 1 4 GLY N N -2.389 -12.935 2.121 1.00 . A A . 4 GLY N 1 1 12 3553 1 1 4 GLY O O 0.899 -11.769 1.435 1.00 . A A . 4 GLY O 1 1 12 3554 1 1 5 VAL C C -0.764 -9.788 -0.995 1.00 . A A . 5 VAL C 1 1 12 3555 1 1 5 VAL CA C -0.249 -11.223 -1.027 1.00 . A A . 5 VAL CA 1 1 12 3556 1 1 5 VAL CB C -0.539 -11.830 -2.413 1.00 . A A . 5 VAL CB 1 1 12 3557 1 1 5 VAL CG1 C 0.062 -10.967 -3.511 1.00 . A A . 5 VAL CG1 1 1 12 3558 1 1 5 VAL CG2 C -0.009 -13.254 -2.492 1.00 . A A . 5 VAL CG2 1 1 12 3559 1 1 5 VAL H H -1.735 -12.411 -0.099 1.00 . A A . 5 VAL H 1 1 12 3560 1 1 5 VAL HA H 0.821 -11.216 -0.878 1.00 . A A . 5 VAL HA 1 1 12 3561 1 1 5 VAL HB H -1.610 -11.859 -2.554 1.00 . A A . 5 VAL HB 1 1 12 3562 1 1 5 VAL HG11 H 0.335 -11.590 -4.350 1.00 . A A . 5 VAL HG11 1 1 12 3563 1 1 5 VAL HG12 H -0.663 -10.230 -3.828 1.00 . A A . 5 VAL HG12 1 1 12 3564 1 1 5 VAL HG13 H 0.942 -10.468 -3.134 1.00 . A A . 5 VAL HG13 1 1 12 3565 1 1 5 VAL HG21 H -0.801 -13.914 -2.813 1.00 . A A . 5 VAL HG21 1 1 12 3566 1 1 5 VAL HG22 H 0.804 -13.297 -3.202 1.00 . A A . 5 VAL HG22 1 1 12 3567 1 1 5 VAL HG23 H 0.345 -13.561 -1.520 1.00 . A A . 5 VAL HG23 1 1 12 3568 1 1 5 VAL N N -0.847 -12.020 0.037 1.00 . A A . 5 VAL N 1 1 12 3569 1 1 5 VAL O O -0.111 -8.872 -1.496 1.00 . A A . 5 VAL O 1 1 12 3570 1 1 6 LEU C C -1.570 -7.280 0.322 1.00 . A A . 6 LEU C 1 1 12 3571 1 1 6 LEU CA C -2.540 -8.276 -0.304 1.00 . A A . 6 LEU CA 1 1 12 3572 1 1 6 LEU CB C -3.827 -8.339 0.522 1.00 . A A . 6 LEU CB 1 1 12 3573 1 1 6 LEU CD1 C -6.303 -8.696 0.681 1.00 . A A . 6 LEU CD1 1 1 12 3574 1 1 6 LEU CD2 C -5.347 -7.425 -1.249 1.00 . A A . 6 LEU CD2 1 1 12 3575 1 1 6 LEU CG C -5.119 -8.563 -0.264 1.00 . A A . 6 LEU CG 1 1 12 3576 1 1 6 LEU H H -2.410 -10.369 -0.023 1.00 . A A . 6 LEU H 1 1 12 3577 1 1 6 LEU HA H -2.780 -7.945 -1.304 1.00 . A A . 6 LEU HA 1 1 12 3578 1 1 6 LEU HB2 H -3.726 -9.149 1.228 1.00 . A A . 6 LEU HB2 1 1 12 3579 1 1 6 LEU HB3 H -3.921 -7.406 1.058 1.00 . A A . 6 LEU HB3 1 1 12 3580 1 1 6 LEU HD11 H -7.195 -8.334 0.194 1.00 . A A . 6 LEU HD11 1 1 12 3581 1 1 6 LEU HD12 H -6.119 -8.115 1.572 1.00 . A A . 6 LEU HD12 1 1 12 3582 1 1 6 LEU HD13 H -6.433 -9.734 0.949 1.00 . A A . 6 LEU HD13 1 1 12 3583 1 1 6 LEU HD21 H -6.399 -7.361 -1.488 1.00 . A A . 6 LEU HD21 1 1 12 3584 1 1 6 LEU HD22 H -4.785 -7.613 -2.153 1.00 . A A . 6 LEU HD22 1 1 12 3585 1 1 6 LEU HD23 H -5.020 -6.496 -0.808 1.00 . A A . 6 LEU HD23 1 1 12 3586 1 1 6 LEU HG H -5.037 -9.483 -0.827 1.00 . A A . 6 LEU HG 1 1 12 3587 1 1 6 LEU N N -1.938 -9.600 -0.403 1.00 . A A . 6 LEU N 1 1 12 3588 1 1 6 LEU O O -1.637 -6.081 0.055 1.00 . A A . 6 LEU O 1 1 12 3589 1 1 7 ALA C C 1.195 -6.218 0.796 1.00 . A A . 7 ALA C 1 1 12 3590 1 1 7 ALA CA C 0.323 -6.943 1.815 1.00 . A A . 7 ALA CA 1 1 12 3591 1 1 7 ALA CB C 1.185 -7.775 2.753 1.00 . A A . 7 ALA CB 1 1 12 3592 1 1 7 ALA H H -0.662 -8.752 1.326 1.00 . A A . 7 ALA H 1 1 12 3593 1 1 7 ALA HA H -0.207 -6.210 2.406 1.00 . A A . 7 ALA HA 1 1 12 3594 1 1 7 ALA HB1 H 1.626 -7.131 3.500 1.00 . A A . 7 ALA HB1 1 1 12 3595 1 1 7 ALA HB2 H 0.572 -8.523 3.236 1.00 . A A . 7 ALA HB2 1 1 12 3596 1 1 7 ALA HB3 H 1.966 -8.260 2.188 1.00 . A A . 7 ALA HB3 1 1 12 3597 1 1 7 ALA N N -0.665 -7.787 1.154 1.00 . A A . 7 ALA N 1 1 12 3598 1 1 7 ALA O O 1.738 -5.149 1.076 1.00 . A A . 7 ALA O 1 1 12 3599 1 1 8 LYS C C 1.533 -4.893 -1.917 1.00 . A A . 8 LYS C 1 1 12 3600 1 1 8 LYS CA C 2.132 -6.216 -1.451 1.00 . A A . 8 LYS CA 1 1 12 3601 1 1 8 LYS CB C 2.242 -7.183 -2.633 1.00 . A A . 8 LYS CB 1 1 12 3602 1 1 8 LYS CD C 3.777 -6.404 -4.461 1.00 . A A . 8 LYS CD 1 1 12 3603 1 1 8 LYS CE C 3.557 -7.211 -5.731 1.00 . A A . 8 LYS CE 1 1 12 3604 1 1 8 LYS CG C 3.640 -7.270 -3.220 1.00 . A A . 8 LYS CG 1 1 12 3605 1 1 8 LYS H H 0.869 -7.658 -0.553 1.00 . A A . 8 LYS H 1 1 12 3606 1 1 8 LYS HA H 3.119 -6.032 -1.055 1.00 . A A . 8 LYS HA 1 1 12 3607 1 1 8 LYS HB2 H 1.951 -8.170 -2.303 1.00 . A A . 8 LYS HB2 1 1 12 3608 1 1 8 LYS HB3 H 1.567 -6.859 -3.411 1.00 . A A . 8 LYS HB3 1 1 12 3609 1 1 8 LYS HD2 H 3.045 -5.612 -4.420 1.00 . A A . 8 LYS HD2 1 1 12 3610 1 1 8 LYS HD3 H 4.771 -5.978 -4.483 1.00 . A A . 8 LYS HD3 1 1 12 3611 1 1 8 LYS HE2 H 4.442 -7.139 -6.346 1.00 . A A . 8 LYS HE2 1 1 12 3612 1 1 8 LYS HE3 H 3.389 -8.243 -5.461 1.00 . A A . 8 LYS HE3 1 1 12 3613 1 1 8 LYS HG2 H 4.352 -6.936 -2.481 1.00 . A A . 8 LYS HG2 1 1 12 3614 1 1 8 LYS HG3 H 3.847 -8.297 -3.484 1.00 . A A . 8 LYS HG3 1 1 12 3615 1 1 8 LYS HZ1 H 2.670 -5.918 -7.111 1.00 . A A . 8 LYS HZ1 1 1 12 3616 1 1 8 LYS HZ2 H 1.638 -6.397 -5.859 1.00 . A A . 8 LYS HZ2 1 1 12 3617 1 1 8 LYS HZ3 H 2.010 -7.474 -7.109 1.00 . A A . 8 LYS HZ3 1 1 12 3618 1 1 8 LYS N N 1.326 -6.806 -0.389 1.00 . A A . 8 LYS N 1 1 12 3619 1 1 8 LYS NZ N 2.386 -6.715 -6.507 1.00 . A A . 8 LYS NZ 1 1 12 3620 1 1 8 LYS O O 2.192 -4.109 -2.602 1.00 . A A . 8 LYS O 1 1 12 3621 1 1 9 VAL C C -1.236 -2.877 -0.762 1.00 . A A . 9 VAL C 1 1 12 3622 1 1 9 VAL CA C -0.404 -3.420 -1.919 1.00 . A A . 9 VAL CA 1 1 12 3623 1 1 9 VAL CB C -1.321 -3.639 -3.137 1.00 . A A . 9 VAL CB 1 1 12 3624 1 1 9 VAL CG1 C -2.441 -4.609 -2.794 1.00 . A A . 9 VAL CG1 1 1 12 3625 1 1 9 VAL CG2 C -1.883 -2.314 -3.626 1.00 . A A . 9 VAL CG2 1 1 12 3626 1 1 9 VAL H H -0.190 -5.312 -0.997 1.00 . A A . 9 VAL H 1 1 12 3627 1 1 9 VAL HA H 0.345 -2.688 -2.186 1.00 . A A . 9 VAL HA 1 1 12 3628 1 1 9 VAL HB H -0.731 -4.072 -3.932 1.00 . A A . 9 VAL HB 1 1 12 3629 1 1 9 VAL HG11 H -2.387 -4.865 -1.746 1.00 . A A . 9 VAL HG11 1 1 12 3630 1 1 9 VAL HG12 H -3.395 -4.148 -3.005 1.00 . A A . 9 VAL HG12 1 1 12 3631 1 1 9 VAL HG13 H -2.336 -5.506 -3.389 1.00 . A A . 9 VAL HG13 1 1 12 3632 1 1 9 VAL HG21 H -2.815 -2.110 -3.119 1.00 . A A . 9 VAL HG21 1 1 12 3633 1 1 9 VAL HG22 H -1.179 -1.522 -3.414 1.00 . A A . 9 VAL HG22 1 1 12 3634 1 1 9 VAL HG23 H -2.056 -2.366 -4.691 1.00 . A A . 9 VAL HG23 1 1 12 3635 1 1 9 VAL N N 0.282 -4.649 -1.541 1.00 . A A . 9 VAL N 1 1 12 3636 1 1 9 VAL O O -2.420 -2.584 -0.921 1.00 . A A . 9 VAL O 1 1 12 3637 1 1 10 ALA C C -0.307 -2.021 2.732 1.00 . A A . 10 ALA C 1 1 12 3638 1 1 10 ALA CA C -1.288 -2.236 1.585 1.00 . A A . 10 ALA CA 1 1 12 3639 1 1 10 ALA CB C -2.396 -3.190 2.007 1.00 . A A . 10 ALA CB 1 1 12 3640 1 1 10 ALA H H 0.338 -2.998 0.465 1.00 . A A . 10 ALA H 1 1 12 3641 1 1 10 ALA HA H -1.740 -1.289 1.328 1.00 . A A . 10 ALA HA 1 1 12 3642 1 1 10 ALA HB1 H -3.025 -3.410 1.157 1.00 . A A . 10 ALA HB1 1 1 12 3643 1 1 10 ALA HB2 H -1.961 -4.105 2.380 1.00 . A A . 10 ALA HB2 1 1 12 3644 1 1 10 ALA HB3 H -2.990 -2.730 2.784 1.00 . A A . 10 ALA HB3 1 1 12 3645 1 1 10 ALA N N -0.607 -2.747 0.401 1.00 . A A . 10 ALA N 1 1 12 3646 1 1 10 ALA O O 0.041 -2.986 3.384 1.00 . A A . 10 ALA O 1 1 12 3647 1 1 11 . C C 2.375 0.550 3.371 1.00 . A A . 11 I4G C 1 1 12 3648 1 1 11 . CA C 1.200 -0.205 3.944 1.00 . A A . 11 I4G CA 1 1 12 3649 1 1 11 . CB C -0.301 0.556 2.137 1.00 . A A . 11 I4G CB 1 1 12 3650 1 1 11 . CD1 C -1.343 2.246 3.752 1.00 . A A . 11 I4G CD1 1 1 12 3651 1 1 11 . CD2 C -2.428 1.776 1.521 1.00 . A A . 11 I4G CD2 1 1 12 3652 1 1 11 . CG C -1.619 1.163 2.681 1.00 . A A . 11 I4G CG 1 1 12 3653 1 1 11 . HA2 H 1.534 -1.052 4.358 1.00 . A A . 11 I4G HA2 1 1 12 3654 1 1 11 . HA3 H 0.768 0.361 4.646 1.00 . A A . 11 I4G HA3 1 1 12 3655 1 1 11 . HB2 H -0.439 0.214 1.208 1.00 . A A . 11 I4G HB2 1 1 12 3656 1 1 11 . HB3 H 0.420 1.249 2.135 1.00 . A A . 11 I4G HB3 1 1 12 3657 1 1 11 . HD11 H -2.279 2.685 4.103 1.00 . A A . 11 I4G HD11 1 1 12 3658 1 1 11 . HD12 H -0.827 1.817 4.610 1.00 . A A . 11 I4G HD12 1 1 12 3659 1 1 11 . HD13 H -0.718 3.042 3.338 1.00 . A A . 11 I4G HD13 1 1 12 3660 1 1 11 . HD21 H -3.373 2.187 1.884 1.00 . A A . 11 I4G HD21 1 1 12 3661 1 1 11 . HD22 H -1.865 2.578 1.036 1.00 . A A . 11 I4G HD22 1 1 12 3662 1 1 11 . HD23 H -2.657 1.016 0.770 1.00 . A A . 11 I4G HD23 1 1 12 3663 1 1 11 . HG H -2.222 0.371 3.132 1.00 . A A . 11 I4G HG 1 1 12 3664 1 1 11 . N N 0.161 -0.568 2.965 1.00 . A A . 11 I4G N 1 1 12 3665 1 1 11 . O O 2.946 1.447 3.995 1.00 . A A . 11 I4G O 1 1 12 3666 1 1 12 HIS C C 3.309 1.530 0.163 1.00 . A A . 12 HIS C 1 1 12 3667 1 1 12 HIS CA C 3.815 0.851 1.431 1.00 . A A . 12 HIS CA 1 1 12 3668 1 1 12 HIS CB C 4.905 -0.162 1.082 1.00 . A A . 12 HIS CB 1 1 12 3669 1 1 12 HIS CD2 C 3.376 -1.833 -0.182 1.00 . A A . 12 HIS CD2 1 1 12 3670 1 1 12 HIS CE1 C 4.203 -3.697 0.622 1.00 . A A . 12 HIS CE1 1 1 12 3671 1 1 12 HIS CG C 4.371 -1.501 0.672 1.00 . A A . 12 HIS CG 1 1 12 3672 1 1 12 HIS H H 2.229 -0.528 1.694 1.00 . A A . 12 HIS H 1 1 12 3673 1 1 12 HIS HA H 4.229 1.601 2.086 1.00 . A A . 12 HIS HA 1 1 12 3674 1 1 12 HIS HB2 H 5.495 0.223 0.264 1.00 . A A . 12 HIS HB2 1 1 12 3675 1 1 12 HIS HB3 H 5.542 -0.308 1.943 1.00 . A A . 12 HIS HB3 1 1 12 3676 1 1 12 HIS HD1 H 5.600 -2.784 1.805 1.00 . A A . 12 HIS HD1 1 1 12 3677 1 1 12 HIS HD2 H 2.761 -1.147 -0.750 1.00 . A A . 12 HIS HD2 1 1 12 3678 1 1 12 HIS HE1 H 4.374 -4.745 0.817 1.00 . A A . 12 HIS HE1 1 1 12 3679 1 1 12 HIS N N 2.721 0.194 2.139 1.00 . A A . 12 HIS N 1 1 12 3680 1 1 12 HIS ND1 N 4.868 -2.691 1.161 1.00 . A A . 12 HIS ND1 1 1 12 3681 1 1 12 HIS NE2 N 3.291 -3.203 -0.197 1.00 . A A . 12 HIS NE2 1 1 12 3682 1 1 12 HIS O O 4.043 2.273 -0.490 1.00 . A A . 12 HIS O 1 1 12 3683 1 1 13 VAL C C 1.472 3.380 -1.307 1.00 . A A . 13 VAL C 1 1 12 3684 1 1 13 VAL CA C 1.449 1.858 -1.373 1.00 . A A . 13 VAL CA 1 1 12 3685 1 1 13 VAL CB C -0.005 1.384 -1.558 1.00 . A A . 13 VAL CB 1 1 12 3686 1 1 13 VAL CG1 C -0.588 1.938 -2.848 1.00 . A A . 13 VAL CG1 1 1 12 3687 1 1 13 VAL CG2 C -0.076 -0.135 -1.539 1.00 . A A . 13 VAL CG2 1 1 12 3688 1 1 13 VAL H H 1.517 0.670 0.377 1.00 . A A . 13 VAL H 1 1 12 3689 1 1 13 VAL HA H 2.022 1.535 -2.231 1.00 . A A . 13 VAL HA 1 1 12 3690 1 1 13 VAL HB H -0.592 1.760 -0.733 1.00 . A A . 13 VAL HB 1 1 12 3691 1 1 13 VAL HG11 H 0.091 2.668 -3.265 1.00 . A A . 13 VAL HG11 1 1 12 3692 1 1 13 VAL HG12 H -0.730 1.133 -3.554 1.00 . A A . 13 VAL HG12 1 1 12 3693 1 1 13 VAL HG13 H -1.538 2.409 -2.641 1.00 . A A . 13 VAL HG13 1 1 12 3694 1 1 13 VAL HG21 H 0.522 -0.533 -2.345 1.00 . A A . 13 VAL HG21 1 1 12 3695 1 1 13 VAL HG22 H 0.301 -0.503 -0.596 1.00 . A A . 13 VAL HG22 1 1 12 3696 1 1 13 VAL HG23 H -1.102 -0.449 -1.664 1.00 . A A . 13 VAL HG23 1 1 12 3697 1 1 13 VAL N N 2.052 1.271 -0.183 1.00 . A A . 13 VAL N 1 1 12 3698 1 1 13 VAL O O 1.869 4.048 -2.261 1.00 . A A . 13 VAL O 1 1 12 3699 1 1 14 VAL C C 2.363 5.995 -0.322 1.00 . A A . 14 VAL C 1 1 12 3700 1 1 14 VAL CA C 1.015 5.369 0.020 1.00 . A A . 14 VAL CA 1 1 12 3701 1 1 14 VAL CB C 0.644 5.735 1.470 1.00 . A A . 14 VAL CB 1 1 12 3702 1 1 14 VAL CG1 C 0.662 7.244 1.660 1.00 . A A . 14 VAL CG1 1 1 12 3703 1 1 14 VAL CG2 C -0.715 5.159 1.834 1.00 . A A . 14 VAL CG2 1 1 12 3704 1 1 14 VAL H H 0.739 3.340 0.553 1.00 . A A . 14 VAL H 1 1 12 3705 1 1 14 VAL HA H 0.261 5.779 -0.636 1.00 . A A . 14 VAL HA 1 1 12 3706 1 1 14 VAL HB H 1.384 5.303 2.129 1.00 . A A . 14 VAL HB 1 1 12 3707 1 1 14 VAL HG11 H 1.674 7.608 1.553 1.00 . A A . 14 VAL HG11 1 1 12 3708 1 1 14 VAL HG12 H 0.030 7.708 0.918 1.00 . A A . 14 VAL HG12 1 1 12 3709 1 1 14 VAL HG13 H 0.297 7.486 2.648 1.00 . A A . 14 VAL HG13 1 1 12 3710 1 1 14 VAL HG21 H -0.718 4.098 1.641 1.00 . A A . 14 VAL HG21 1 1 12 3711 1 1 14 VAL HG22 H -0.914 5.336 2.881 1.00 . A A . 14 VAL HG22 1 1 12 3712 1 1 14 VAL HG23 H -1.479 5.636 1.237 1.00 . A A . 14 VAL HG23 1 1 12 3713 1 1 14 VAL N N 1.043 3.924 -0.172 1.00 . A A . 14 VAL N 1 1 12 3714 1 1 14 VAL O O 2.430 7.008 -1.018 1.00 . A A . 14 VAL O 1 1 12 3715 1 1 15 GLY C C 5.061 6.010 -1.576 1.00 . A A . 15 GLY C 1 1 12 3716 1 1 15 GLY CA C 4.768 5.895 -0.093 1.00 . A A . 15 GLY CA 1 1 12 3717 1 1 15 GLY H H 3.321 4.580 0.720 1.00 . A A . 15 GLY H 1 1 12 3718 1 1 15 GLY HA2 H 4.864 6.871 0.360 1.00 . A A . 15 GLY HA2 1 1 12 3719 1 1 15 GLY HA3 H 5.492 5.230 0.354 1.00 . A A . 15 GLY HA3 1 1 12 3720 1 1 15 GLY N N 3.436 5.384 0.172 1.00 . A A . 15 GLY N 1 1 12 3721 1 1 15 GLY O O 5.917 6.792 -1.987 1.00 . A A . 15 GLY O 1 1 12 3722 1 1 16 ALA C C 3.564 6.211 -4.494 1.00 . A A . 16 ALA C 1 1 12 3723 1 1 16 ALA CA C 4.537 5.246 -3.826 1.00 . A A . 16 ALA CA 1 1 12 3724 1 1 16 ALA CB C 4.371 3.845 -4.397 1.00 . A A . 16 ALA CB 1 1 12 3725 1 1 16 ALA H H 3.681 4.626 -1.992 1.00 . A A . 16 ALA H 1 1 12 3726 1 1 16 ALA HA H 5.548 5.572 -4.026 1.00 . A A . 16 ALA HA 1 1 12 3727 1 1 16 ALA HB1 H 3.442 3.790 -4.946 1.00 . A A . 16 ALA HB1 1 1 12 3728 1 1 16 ALA HB2 H 5.195 3.627 -5.060 1.00 . A A . 16 ALA HB2 1 1 12 3729 1 1 16 ALA HB3 H 4.357 3.127 -3.590 1.00 . A A . 16 ALA HB3 1 1 12 3730 1 1 16 ALA N N 4.350 5.228 -2.381 1.00 . A A . 16 ALA N 1 1 12 3731 1 1 16 ALA O O 3.965 7.055 -5.296 1.00 . A A . 16 ALA O 1 1 12 3732 1 1 17 ILE C C 1.569 8.412 -4.476 1.00 . A A . 17 ILE C 1 1 12 3733 1 1 17 ILE CA C 1.255 6.941 -4.727 1.00 . A A . 17 ILE CA 1 1 12 3734 1 1 17 ILE CB C -0.134 6.617 -4.146 1.00 . A A . 17 ILE CB 1 1 12 3735 1 1 17 ILE CD1 C -1.810 4.734 -3.797 1.00 . A A . 17 ILE CD1 1 1 12 3736 1 1 17 ILE CG1 C -0.493 5.154 -4.412 1.00 . A A . 17 ILE CG1 1 1 12 3737 1 1 17 ILE CG2 C -1.185 7.543 -4.739 1.00 . A A . 17 ILE CG2 1 1 12 3738 1 1 17 ILE H H 2.028 5.388 -3.515 1.00 . A A . 17 ILE H 1 1 12 3739 1 1 17 ILE HA H 1.227 6.767 -5.793 1.00 . A A . 17 ILE HA 1 1 12 3740 1 1 17 ILE HB H -0.100 6.785 -3.080 1.00 . A A . 17 ILE HB 1 1 12 3741 1 1 17 ILE HD11 H -2.031 3.715 -4.080 1.00 . A A . 17 ILE HD11 1 1 12 3742 1 1 17 ILE HD12 H -1.746 4.806 -2.723 1.00 . A A . 17 ILE HD12 1 1 12 3743 1 1 17 ILE HD13 H -2.597 5.384 -4.155 1.00 . A A . 17 ILE HD13 1 1 12 3744 1 1 17 ILE HG12 H -0.559 4.994 -5.477 1.00 . A A . 17 ILE HG12 1 1 12 3745 1 1 17 ILE HG13 H 0.281 4.520 -4.004 1.00 . A A . 17 ILE HG13 1 1 12 3746 1 1 17 ILE HG21 H -0.725 8.187 -5.474 1.00 . A A . 17 ILE HG21 1 1 12 3747 1 1 17 ILE HG22 H -1.957 6.955 -5.210 1.00 . A A . 17 ILE HG22 1 1 12 3748 1 1 17 ILE HG23 H -1.619 8.146 -3.954 1.00 . A A . 17 ILE HG23 1 1 12 3749 1 1 17 ILE N N 2.284 6.080 -4.159 1.00 . A A . 17 ILE N 1 1 12 3750 1 1 17 ILE O O 1.296 9.268 -5.318 1.00 . A A . 17 ILE O 1 1 12 3751 1 1 18 ALA C C 3.730 10.535 -3.723 1.00 . A A . 18 ALA C 1 1 12 3752 1 1 18 ALA CA C 2.500 10.065 -2.952 1.00 . A A . 18 ALA CA 1 1 12 3753 1 1 18 ALA CB C 2.742 10.170 -1.454 1.00 . A A . 18 ALA CB 1 1 12 3754 1 1 18 ALA H H 2.338 7.972 -2.684 1.00 . A A . 18 ALA H 1 1 12 3755 1 1 18 ALA HA H 1.666 10.704 -3.204 1.00 . A A . 18 ALA HA 1 1 12 3756 1 1 18 ALA HB1 H 2.884 11.206 -1.185 1.00 . A A . 18 ALA HB1 1 1 12 3757 1 1 18 ALA HB2 H 1.890 9.773 -0.924 1.00 . A A . 18 ALA HB2 1 1 12 3758 1 1 18 ALA HB3 H 3.625 9.605 -1.192 1.00 . A A . 18 ALA HB3 1 1 12 3759 1 1 18 ALA N N 2.146 8.698 -3.314 1.00 . A A . 18 ALA N 1 1 12 3760 1 1 18 ALA O O 4.052 11.723 -3.731 1.00 . A A . 18 ALA O 1 1 12 3761 1 1 19 GLU C C 5.241 10.592 -6.456 1.00 . A A . 19 GLU C 1 1 12 3762 1 1 19 GLU CA C 5.608 9.914 -5.139 1.00 . A A . 19 GLU CA 1 1 12 3763 1 1 19 GLU CB C 6.419 8.646 -5.415 1.00 . A A . 19 GLU CB 1 1 12 3764 1 1 19 GLU CD C 8.715 7.619 -5.647 1.00 . A A . 19 GLU CD 1 1 12 3765 1 1 19 GLU CG C 7.906 8.901 -5.597 1.00 . A A . 19 GLU CG 1 1 12 3766 1 1 19 GLU H H 4.107 8.666 -4.323 1.00 . A A . 19 GLU H 1 1 12 3767 1 1 19 GLU HA H 6.210 10.593 -4.555 1.00 . A A . 19 GLU HA 1 1 12 3768 1 1 19 GLU HB2 H 6.289 7.963 -4.588 1.00 . A A . 19 GLU HB2 1 1 12 3769 1 1 19 GLU HB3 H 6.042 8.182 -6.315 1.00 . A A . 19 GLU HB3 1 1 12 3770 1 1 19 GLU HG2 H 8.056 9.439 -6.520 1.00 . A A . 19 GLU HG2 1 1 12 3771 1 1 19 GLU HG3 H 8.258 9.500 -4.770 1.00 . A A . 19 GLU HG3 1 1 12 3772 1 1 19 GLU N N 4.413 9.595 -4.369 1.00 . A A . 19 GLU N 1 1 12 3773 1 1 19 GLU O O 5.790 11.639 -6.804 1.00 . A A . 19 GLU O 1 1 12 3774 1 1 19 GLU OE1 O 8.286 6.621 -5.031 1.00 . A A . 19 GLU OE1 1 1 12 3775 1 1 19 GLU OE2 O 9.778 7.614 -6.303 1.00 . A A . 19 GLU OE2 1 1 12 3776 1 1 20 HIS C C 2.900 11.694 -8.257 1.00 . A A . 20 HIS C 1 1 12 3777 1 1 20 HIS CA C 3.867 10.532 -8.466 1.00 . A A . 20 HIS CA 1 1 12 3778 1 1 20 HIS CB C 3.200 9.442 -9.305 1.00 . A A . 20 HIS CB 1 1 12 3779 1 1 20 HIS CD2 C 1.068 8.577 -8.109 1.00 . A A . 20 HIS CD2 1 1 12 3780 1 1 20 HIS CE1 C -0.428 9.621 -9.325 1.00 . A A . 20 HIS CE1 1 1 12 3781 1 1 20 HIS CG C 1.733 9.298 -9.042 1.00 . A A . 20 HIS CG 1 1 12 3782 1 1 20 HIS H H 3.909 9.156 -6.857 1.00 . A A . 20 HIS H 1 1 12 3783 1 1 20 HIS HA H 4.738 10.896 -8.991 1.00 . A A . 20 HIS HA 1 1 12 3784 1 1 20 HIS HB2 H 3.327 9.675 -10.352 1.00 . A A . 20 HIS HB2 1 1 12 3785 1 1 20 HIS HB3 H 3.672 8.493 -9.092 1.00 . A A . 20 HIS HB3 1 1 12 3786 1 1 20 HIS HD1 H 0.934 10.539 -10.545 1.00 . A A . 20 HIS HD1 1 1 12 3787 1 1 20 HIS HD2 H 1.510 7.948 -7.349 1.00 . A A . 20 HIS HD2 1 1 12 3788 1 1 20 HIS HE1 H -1.371 9.975 -9.713 1.00 . A A . 20 HIS HE1 1 1 12 3789 1 1 20 HIS N N 4.309 9.987 -7.187 1.00 . A A . 20 HIS N 1 1 12 3790 1 1 20 HIS ND1 N 0.767 9.939 -9.789 1.00 . A A . 20 HIS ND1 1 1 12 3791 1 1 20 HIS NE2 N -0.274 8.795 -8.306 1.00 . A A . 20 HIS NE2 1 1 12 3792 1 1 20 HIS O O 2.749 12.552 -9.126 1.00 . A A . 20 HIS O 1 1 12 3793 1 1 21 PHE C C 1.737 13.542 -5.540 1.00 . A A . 21 PHE C 1 1 12 3794 1 1 21 PHE CA C 1.293 12.767 -6.778 1.00 . A A . 21 PHE CA 1 1 12 3795 1 1 21 PHE CB C -0.098 12.173 -6.549 1.00 . A A . 21 PHE CB 1 1 12 3796 1 1 21 PHE CD1 C -1.188 13.060 -8.628 1.00 . A A . 21 PHE CD1 1 1 12 3797 1 1 21 PHE CD2 C -2.229 13.499 -6.527 1.00 . A A . 21 PHE CD2 1 1 12 3798 1 1 21 PHE CE1 C -2.195 13.752 -9.274 1.00 . A A . 21 PHE CE1 1 1 12 3799 1 1 21 PHE CE2 C -3.238 14.192 -7.168 1.00 . A A . 21 PHE CE2 1 1 12 3800 1 1 21 PHE CG C -1.194 12.926 -7.249 1.00 . A A . 21 PHE CG 1 1 12 3801 1 1 21 PHE CZ C -3.222 14.318 -8.543 1.00 . A A . 21 PHE CZ 1 1 12 3802 1 1 21 PHE H H 2.410 11.000 -6.447 1.00 . A A . 21 PHE H 1 1 12 3803 1 1 21 PHE HA H 1.252 13.444 -7.617 1.00 . A A . 21 PHE HA 1 1 12 3804 1 1 21 PHE HB2 H -0.111 11.156 -6.911 1.00 . A A . 21 PHE HB2 1 1 12 3805 1 1 21 PHE HB3 H -0.314 12.177 -5.491 1.00 . A A . 21 PHE HB3 1 1 12 3806 1 1 21 PHE HD1 H -0.387 12.617 -9.201 1.00 . A A . 21 PHE HD1 1 1 12 3807 1 1 21 PHE HD2 H -2.244 13.400 -5.451 1.00 . A A . 21 PHE HD2 1 1 12 3808 1 1 21 PHE HE1 H -2.180 13.849 -10.349 1.00 . A A . 21 PHE HE1 1 1 12 3809 1 1 21 PHE HE2 H -4.040 14.632 -6.594 1.00 . A A . 21 PHE HE2 1 1 12 3810 1 1 21 PHE HZ H -4.009 14.860 -9.046 1.00 . A A . 21 PHE HZ 1 1 12 3811 1 1 21 PHE N N 2.247 11.712 -7.100 1.00 . A A . 21 PHE N 1 1 12 3812 1 1 21 PHE O O 0.944 13.944 -4.724 1.00 . A A . 21 PHE O 1 1 12 3813 1 1 22 NH2 HN1 H 3.812 13.399 -6.139 1.00 . A A . 22 NH2 HN1 1 1 12 3814 1 1 22 NH2 HN2 H 3.569 14.278 -4.598 1.00 . A A . 22 NH2 HN2 1 1 12 3815 1 1 22 NH2 N N 3.229 13.778 -5.398 1.00 . A A . 22 NH2 N 1 1 12 3816 2 2 1 UNX UNK . -13.961 0.916 -11.607 1.00 . B A . 100 UNX UNK 1 1 13 3817 1 1 1 GLY C C -3.653 -15.940 0.508 1.00 . A A . 1 GLY C 1 1 13 3818 1 1 1 GLY CA C -3.403 -17.186 1.334 1.00 . A A . 1 GLY CA 1 1 13 3819 1 1 1 GLY H1 H -1.381 -17.325 1.838 1.00 . A A . 1 GLY H1 1 1 13 3820 1 1 1 GLY H2 H -1.959 -18.681 1.135 1.00 . A A . 1 GLY H2 1 1 13 3821 1 1 1 GLY H3 H -1.538 -17.484 0.376 1.00 . A A . 1 GLY H3 1 1 13 3822 1 1 1 GLY HA2 H -4.094 -17.955 1.026 1.00 . A A . 1 GLY HA2 1 1 13 3823 1 1 1 GLY HA3 H -3.579 -16.955 2.374 1.00 . A A . 1 GLY HA3 1 1 13 3824 1 1 1 GLY N N -2.049 -17.687 1.188 1.00 . A A . 1 GLY N 1 1 13 3825 1 1 1 GLY O O -2.715 -15.332 -0.011 1.00 . A A . 1 GLY O 1 1 13 3826 1 1 2 LEU C C -4.683 -13.119 0.219 1.00 . A A . 2 LEU C 1 1 13 3827 1 1 2 LEU CA C -5.291 -14.378 -0.388 1.00 . A A . 2 LEU CA 1 1 13 3828 1 1 2 LEU CB C -6.813 -14.245 -0.452 1.00 . A A . 2 LEU CB 1 1 13 3829 1 1 2 LEU CD1 C -7.997 -14.514 -2.645 1.00 . A A . 2 LEU CD1 1 1 13 3830 1 1 2 LEU CD2 C -8.391 -12.470 -1.258 1.00 . A A . 2 LEU CD2 1 1 13 3831 1 1 2 LEU CG C -7.372 -13.520 -1.677 1.00 . A A . 2 LEU CG 1 1 13 3832 1 1 2 LEU H H -5.622 -16.085 0.820 1.00 . A A . 2 LEU H 1 1 13 3833 1 1 2 LEU HA H -4.906 -14.502 -1.390 1.00 . A A . 2 LEU HA 1 1 13 3834 1 1 2 LEU HB2 H -7.233 -15.238 -0.435 1.00 . A A . 2 LEU HB2 1 1 13 3835 1 1 2 LEU HB3 H -7.134 -13.704 0.428 1.00 . A A . 2 LEU HB3 1 1 13 3836 1 1 2 LEU HD11 H -8.876 -14.950 -2.196 1.00 . A A . 2 LEU HD11 1 1 13 3837 1 1 2 LEU HD12 H -7.284 -15.294 -2.870 1.00 . A A . 2 LEU HD12 1 1 13 3838 1 1 2 LEU HD13 H -8.273 -14.004 -3.557 1.00 . A A . 2 LEU HD13 1 1 13 3839 1 1 2 LEU HD21 H -7.952 -11.821 -0.514 1.00 . A A . 2 LEU HD21 1 1 13 3840 1 1 2 LEU HD22 H -9.260 -12.957 -0.842 1.00 . A A . 2 LEU HD22 1 1 13 3841 1 1 2 LEU HD23 H -8.681 -11.887 -2.119 1.00 . A A . 2 LEU HD23 1 1 13 3842 1 1 2 LEU HG H -6.564 -13.018 -2.192 1.00 . A A . 2 LEU HG 1 1 13 3843 1 1 2 LEU N N -4.919 -15.559 0.382 1.00 . A A . 2 LEU N 1 1 13 3844 1 1 2 LEU O O -3.863 -12.446 -0.408 1.00 . A A . 2 LEU O 1 1 13 3845 1 1 3 PHE C C -3.059 -11.661 2.233 1.00 . A A . 3 PHE C 1 1 13 3846 1 1 3 PHE CA C -4.581 -11.625 2.139 1.00 . A A . 3 PHE CA 1 1 13 3847 1 1 3 PHE CB C -5.189 -11.532 3.541 1.00 . A A . 3 PHE CB 1 1 13 3848 1 1 3 PHE CD1 C -4.206 -9.419 4.468 1.00 . A A . 3 PHE CD1 1 1 13 3849 1 1 3 PHE CD2 C -6.560 -9.504 4.094 1.00 . A A . 3 PHE CD2 1 1 13 3850 1 1 3 PHE CE1 C -4.324 -8.121 4.932 1.00 . A A . 3 PHE CE1 1 1 13 3851 1 1 3 PHE CE2 C -6.684 -8.208 4.556 1.00 . A A . 3 PHE CE2 1 1 13 3852 1 1 3 PHE CG C -5.321 -10.124 4.044 1.00 . A A . 3 PHE CG 1 1 13 3853 1 1 3 PHE CZ C -5.564 -7.516 4.977 1.00 . A A . 3 PHE CZ 1 1 13 3854 1 1 3 PHE H H -5.742 -13.379 1.894 1.00 . A A . 3 PHE H 1 1 13 3855 1 1 3 PHE HA H -4.875 -10.756 1.571 1.00 . A A . 3 PHE HA 1 1 13 3856 1 1 3 PHE HB2 H -6.174 -11.973 3.528 1.00 . A A . 3 PHE HB2 1 1 13 3857 1 1 3 PHE HB3 H -4.564 -12.076 4.232 1.00 . A A . 3 PHE HB3 1 1 13 3858 1 1 3 PHE HD1 H -3.235 -9.891 4.434 1.00 . A A . 3 PHE HD1 1 1 13 3859 1 1 3 PHE HD2 H -7.436 -10.045 3.767 1.00 . A A . 3 PHE HD2 1 1 13 3860 1 1 3 PHE HE1 H -3.447 -7.583 5.261 1.00 . A A . 3 PHE HE1 1 1 13 3861 1 1 3 PHE HE2 H -7.654 -7.737 4.592 1.00 . A A . 3 PHE HE2 1 1 13 3862 1 1 3 PHE HZ H -5.658 -6.503 5.339 1.00 . A A . 3 PHE HZ 1 1 13 3863 1 1 3 PHE N N -5.087 -12.804 1.446 1.00 . A A . 3 PHE N 1 1 13 3864 1 1 3 PHE O O -2.405 -10.620 2.291 1.00 . A A . 3 PHE O 1 1 13 3865 1 1 4 GLY C C -0.327 -12.191 1.301 1.00 . A A . 4 GLY C 1 1 13 3866 1 1 4 GLY CA C -1.061 -13.018 2.338 1.00 . A A . 4 GLY CA 1 1 13 3867 1 1 4 GLY H H -3.073 -13.663 2.201 1.00 . A A . 4 GLY H 1 1 13 3868 1 1 4 GLY HA2 H -0.737 -12.713 3.321 1.00 . A A . 4 GLY HA2 1 1 13 3869 1 1 4 GLY HA3 H -0.809 -14.059 2.194 1.00 . A A . 4 GLY HA3 1 1 13 3870 1 1 4 GLY N N -2.502 -12.868 2.249 1.00 . A A . 4 GLY N 1 1 13 3871 1 1 4 GLY O O 0.792 -11.737 1.537 1.00 . A A . 4 GLY O 1 1 13 3872 1 1 5 VAL C C -0.861 -9.780 -0.917 1.00 . A A . 5 VAL C 1 1 13 3873 1 1 5 VAL CA C -0.358 -11.219 -0.930 1.00 . A A . 5 VAL CA 1 1 13 3874 1 1 5 VAL CB C -0.655 -11.843 -2.306 1.00 . A A . 5 VAL CB 1 1 13 3875 1 1 5 VAL CG1 C -0.051 -10.999 -3.418 1.00 . A A . 5 VAL CG1 1 1 13 3876 1 1 5 VAL CG2 C -0.135 -13.271 -2.367 1.00 . A A . 5 VAL CG2 1 1 13 3877 1 1 5 VAL H H -1.848 -12.384 0.018 1.00 . A A . 5 VAL H 1 1 13 3878 1 1 5 VAL HA H 0.713 -11.216 -0.784 1.00 . A A . 5 VAL HA 1 1 13 3879 1 1 5 VAL HB H -1.727 -11.866 -2.445 1.00 . A A . 5 VAL HB 1 1 13 3880 1 1 5 VAL HG11 H -0.801 -10.325 -3.806 1.00 . A A . 5 VAL HG11 1 1 13 3881 1 1 5 VAL HG12 H 0.780 -10.429 -3.028 1.00 . A A . 5 VAL HG12 1 1 13 3882 1 1 5 VAL HG13 H 0.296 -11.644 -4.211 1.00 . A A . 5 VAL HG13 1 1 13 3883 1 1 5 VAL HG21 H -0.581 -13.850 -1.572 1.00 . A A . 5 VAL HG21 1 1 13 3884 1 1 5 VAL HG22 H -0.395 -13.709 -3.320 1.00 . A A . 5 VAL HG22 1 1 13 3885 1 1 5 VAL HG23 H 0.939 -13.269 -2.254 1.00 . A A . 5 VAL HG23 1 1 13 3886 1 1 5 VAL N N -0.957 -11.996 0.147 1.00 . A A . 5 VAL N 1 1 13 3887 1 1 5 VAL O O -0.204 -8.875 -1.433 1.00 . A A . 5 VAL O 1 1 13 3888 1 1 6 LEU C C -1.644 -7.247 0.366 1.00 . A A . 6 LEU C 1 1 13 3889 1 1 6 LEU CA C -2.625 -8.245 -0.241 1.00 . A A . 6 LEU CA 1 1 13 3890 1 1 6 LEU CB C -3.908 -8.287 0.592 1.00 . A A . 6 LEU CB 1 1 13 3891 1 1 6 LEU CD1 C -6.377 -8.677 0.773 1.00 . A A . 6 LEU CD1 1 1 13 3892 1 1 6 LEU CD2 C -5.457 -7.379 -1.157 1.00 . A A . 6 LEU CD2 1 1 13 3893 1 1 6 LEU CG C -5.205 -8.521 -0.182 1.00 . A A . 6 LEU CG 1 1 13 3894 1 1 6 LEU H H -2.509 -10.335 0.071 1.00 . A A . 6 LEU H 1 1 13 3895 1 1 6 LEU HA H -2.868 -7.928 -1.244 1.00 . A A . 6 LEU HA 1 1 13 3896 1 1 6 LEU HB2 H -3.807 -9.083 1.314 1.00 . A A . 6 LEU HB2 1 1 13 3897 1 1 6 LEU HB3 H -3.996 -7.343 1.111 1.00 . A A . 6 LEU HB3 1 1 13 3898 1 1 6 LEU HD11 H -6.565 -9.727 0.944 1.00 . A A . 6 LEU HD11 1 1 13 3899 1 1 6 LEU HD12 H -7.256 -8.220 0.344 1.00 . A A . 6 LEU HD12 1 1 13 3900 1 1 6 LEU HD13 H -6.144 -8.195 1.711 1.00 . A A . 6 LEU HD13 1 1 13 3901 1 1 6 LEU HD21 H -5.479 -7.765 -2.165 1.00 . A A . 6 LEU HD21 1 1 13 3902 1 1 6 LEU HD22 H -4.665 -6.649 -1.067 1.00 . A A . 6 LEU HD22 1 1 13 3903 1 1 6 LEU HD23 H -6.405 -6.913 -0.928 1.00 . A A . 6 LEU HD23 1 1 13 3904 1 1 6 LEU HG H -5.116 -9.435 -0.753 1.00 . A A . 6 LEU HG 1 1 13 3905 1 1 6 LEU N N -2.032 -9.575 -0.323 1.00 . A A . 6 LEU N 1 1 13 3906 1 1 6 LEU O O -1.704 -6.052 0.080 1.00 . A A . 6 LEU O 1 1 13 3907 1 1 7 ALA C C 1.126 -6.194 0.809 1.00 . A A . 7 ALA C 1 1 13 3908 1 1 7 ALA CA C 0.256 -6.900 1.844 1.00 . A A . 7 ALA CA 1 1 13 3909 1 1 7 ALA CB C 1.119 -7.724 2.788 1.00 . A A . 7 ALA CB 1 1 13 3910 1 1 7 ALA H H -0.743 -8.709 1.388 1.00 . A A . 7 ALA H 1 1 13 3911 1 1 7 ALA HA H -0.264 -6.157 2.429 1.00 . A A . 7 ALA HA 1 1 13 3912 1 1 7 ALA HB1 H 0.655 -7.758 3.763 1.00 . A A . 7 ALA HB1 1 1 13 3913 1 1 7 ALA HB2 H 1.219 -8.727 2.401 1.00 . A A . 7 ALA HB2 1 1 13 3914 1 1 7 ALA HB3 H 2.096 -7.271 2.870 1.00 . A A . 7 ALA HB3 1 1 13 3915 1 1 7 ALA N N -0.741 -7.747 1.201 1.00 . A A . 7 ALA N 1 1 13 3916 1 1 7 ALA O O 1.676 -5.124 1.071 1.00 . A A . 7 ALA O 1 1 13 3917 1 1 8 LYS C C 1.462 -4.906 -1.918 1.00 . A A . 8 LYS C 1 1 13 3918 1 1 8 LYS CA C 2.051 -6.229 -1.442 1.00 . A A . 8 LYS CA 1 1 13 3919 1 1 8 LYS CB C 2.141 -7.210 -2.614 1.00 . A A . 8 LYS CB 1 1 13 3920 1 1 8 LYS CD C 3.697 -6.378 -4.402 1.00 . A A . 8 LYS CD 1 1 13 3921 1 1 8 LYS CE C 4.256 -7.109 -5.613 1.00 . A A . 8 LYS CE 1 1 13 3922 1 1 8 LYS CG C 3.533 -7.312 -3.215 1.00 . A A . 8 LYS CG 1 1 13 3923 1 1 8 LYS H H 0.786 -7.652 -0.515 1.00 . A A . 8 LYS H 1 1 13 3924 1 1 8 LYS HA H 3.043 -6.050 -1.056 1.00 . A A . 8 LYS HA 1 1 13 3925 1 1 8 LYS HB2 H 1.847 -8.191 -2.270 1.00 . A A . 8 LYS HB2 1 1 13 3926 1 1 8 LYS HB3 H 1.460 -6.890 -3.389 1.00 . A A . 8 LYS HB3 1 1 13 3927 1 1 8 LYS HD2 H 2.734 -5.963 -4.660 1.00 . A A . 8 LYS HD2 1 1 13 3928 1 1 8 LYS HD3 H 4.374 -5.580 -4.130 1.00 . A A . 8 LYS HD3 1 1 13 3929 1 1 8 LYS HE2 H 4.865 -7.932 -5.272 1.00 . A A . 8 LYS HE2 1 1 13 3930 1 1 8 LYS HE3 H 3.433 -7.488 -6.200 1.00 . A A . 8 LYS HE3 1 1 13 3931 1 1 8 LYS HG2 H 4.261 -7.052 -2.462 1.00 . A A . 8 LYS HG2 1 1 13 3932 1 1 8 LYS HG3 H 3.700 -8.328 -3.543 1.00 . A A . 8 LYS HG3 1 1 13 3933 1 1 8 LYS HZ1 H 6.055 -6.157 -6.087 1.00 . A A . 8 LYS HZ1 1 1 13 3934 1 1 8 LYS HZ2 H 4.679 -5.257 -6.485 1.00 . A A . 8 LYS HZ2 1 1 13 3935 1 1 8 LYS HZ3 H 5.128 -6.581 -7.437 1.00 . A A . 8 LYS HZ3 1 1 13 3936 1 1 8 LYS N N 1.248 -6.800 -0.367 1.00 . A A . 8 LYS N 1 1 13 3937 1 1 8 LYS NZ N 5.087 -6.213 -6.466 1.00 . A A . 8 LYS NZ 1 1 13 3938 1 1 8 LYS O O 2.124 -4.134 -2.612 1.00 . A A . 8 LYS O 1 1 13 3939 1 1 9 VAL C C -1.283 -2.855 -0.769 1.00 . A A . 9 VAL C 1 1 13 3940 1 1 9 VAL CA C -0.464 -3.416 -1.925 1.00 . A A . 9 VAL CA 1 1 13 3941 1 1 9 VAL CB C -1.390 -3.640 -3.135 1.00 . A A . 9 VAL CB 1 1 13 3942 1 1 9 VAL CG1 C -2.521 -4.591 -2.773 1.00 . A A . 9 VAL CG1 1 1 13 3943 1 1 9 VAL CG2 C -1.938 -2.314 -3.638 1.00 . A A . 9 VAL CG2 1 1 13 3944 1 1 9 VAL H H -0.262 -5.302 -0.987 1.00 . A A . 9 VAL H 1 1 13 3945 1 1 9 VAL HA H 0.290 -2.693 -2.203 1.00 . A A . 9 VAL HA 1 1 13 3946 1 1 9 VAL HB H -0.811 -4.090 -3.927 1.00 . A A . 9 VAL HB 1 1 13 3947 1 1 9 VAL HG11 H -2.437 -5.490 -3.365 1.00 . A A . 9 VAL HG11 1 1 13 3948 1 1 9 VAL HG12 H -2.459 -4.842 -1.724 1.00 . A A . 9 VAL HG12 1 1 13 3949 1 1 9 VAL HG13 H -3.470 -4.115 -2.975 1.00 . A A . 9 VAL HG13 1 1 13 3950 1 1 9 VAL HG21 H -2.121 -2.381 -4.700 1.00 . A A . 9 VAL HG21 1 1 13 3951 1 1 9 VAL HG22 H -2.863 -2.089 -3.127 1.00 . A A . 9 VAL HG22 1 1 13 3952 1 1 9 VAL HG23 H -1.221 -1.531 -3.445 1.00 . A A . 9 VAL HG23 1 1 13 3953 1 1 9 VAL N N 0.214 -4.648 -1.539 1.00 . A A . 9 VAL N 1 1 13 3954 1 1 9 VAL O O -2.463 -2.543 -0.925 1.00 . A A . 9 VAL O 1 1 13 3955 1 1 10 ALA C C -0.328 -1.979 2.714 1.00 . A A . 10 ALA C 1 1 13 3956 1 1 10 ALA CA C -1.319 -2.202 1.575 1.00 . A A . 10 ALA CA 1 1 13 3957 1 1 10 ALA CB C -2.430 -3.143 2.016 1.00 . A A . 10 ALA CB 1 1 13 3958 1 1 10 ALA H H 0.292 -2.994 0.455 1.00 . A A . 10 ALA H 1 1 13 3959 1 1 10 ALA HA H -1.766 -1.254 1.311 1.00 . A A . 10 ALA HA 1 1 13 3960 1 1 10 ALA HB1 H -2.458 -3.185 3.095 1.00 . A A . 10 ALA HB1 1 1 13 3961 1 1 10 ALA HB2 H -3.377 -2.780 1.644 1.00 . A A . 10 ALA HB2 1 1 13 3962 1 1 10 ALA HB3 H -2.242 -4.130 1.622 1.00 . A A . 10 ALA HB3 1 1 13 3963 1 1 10 ALA N N -0.649 -2.728 0.393 1.00 . A A . 10 ALA N 1 1 13 3964 1 1 10 ALA O O 0.015 -2.940 3.375 1.00 . A A . 10 ALA O 1 1 13 3965 1 1 11 . C C 2.377 0.584 3.305 1.00 . A A . 11 I4G C 1 1 13 3966 1 1 11 . CA C 1.205 -0.163 3.892 1.00 . A A . 11 I4G CA 1 1 13 3967 1 1 11 . CB C -0.301 0.588 2.085 1.00 . A A . 11 I4G CB 1 1 13 3968 1 1 11 . CD1 C -1.303 2.305 3.698 1.00 . A A . 11 I4G CD1 1 1 13 3969 1 1 11 . CD2 C -2.411 1.842 1.476 1.00 . A A . 11 I4G CD2 1 1 13 3970 1 1 11 . CG C -1.605 1.222 2.634 1.00 . A A . 11 I4G CG 1 1 13 3971 1 1 11 . HA2 H 1.541 -1.008 4.307 1.00 . A A . 11 I4G HA2 1 1 13 3972 1 1 11 . HA3 H 0.782 0.409 4.594 1.00 . A A . 11 I4G HA3 1 1 13 3973 1 1 11 . HB2 H -0.454 0.234 1.162 1.00 . A A . 11 I4G HB2 1 1 13 3974 1 1 11 . HB3 H 0.429 1.271 2.063 1.00 . A A . 11 I4G HB3 1 1 13 3975 1 1 11 . HD11 H -2.229 2.762 4.051 1.00 . A A . 11 I4G HD11 1 1 13 3976 1 1 11 . HD12 H -0.789 1.872 4.554 1.00 . A A . 11 I4G HD12 1 1 13 3977 1 1 11 . HD13 H -0.667 3.088 3.276 1.00 . A A . 11 I4G HD13 1 1 13 3978 1 1 11 . HD21 H -3.346 2.272 1.843 1.00 . A A . 11 I4G HD21 1 1 13 3979 1 1 11 . HD22 H -1.837 2.631 0.983 1.00 . A A . 11 I4G HD22 1 1 13 3980 1 1 11 . HD23 H -2.658 1.082 0.730 1.00 . A A . 11 I4G HD23 1 1 13 3981 1 1 11 . HG H -2.217 0.442 3.093 1.00 . A A . 11 I4G HG 1 1 13 3982 1 1 11 . N N 0.156 -0.529 2.923 1.00 . A A . 11 I4G N 1 1 13 3983 1 1 11 . O O 2.948 1.490 3.912 1.00 . A A . 11 I4G O 1 1 13 3984 1 1 12 HIS C C 3.297 1.534 0.089 1.00 . A A . 12 HIS C 1 1 13 3985 1 1 12 HIS CA C 3.810 0.856 1.355 1.00 . A A . 12 HIS CA 1 1 13 3986 1 1 12 HIS CB C 4.891 -0.166 0.999 1.00 . A A . 12 HIS CB 1 1 13 3987 1 1 12 HIS CD2 C 3.347 -1.843 -0.238 1.00 . A A . 12 HIS CD2 1 1 13 3988 1 1 12 HIS CE1 C 4.155 -3.700 0.601 1.00 . A A . 12 HIS CE1 1 1 13 3989 1 1 12 HIS CG C 4.345 -1.505 0.613 1.00 . A A . 12 HIS CG 1 1 13 3990 1 1 12 HIS H H 2.227 -0.520 1.644 1.00 . A A . 12 HIS H 1 1 13 3991 1 1 12 HIS HA H 4.236 1.607 2.003 1.00 . A A . 12 HIS HA 1 1 13 3992 1 1 12 HIS HB2 H 5.470 0.208 0.168 1.00 . A A . 12 HIS HB2 1 1 13 3993 1 1 12 HIS HB3 H 5.540 -0.304 1.851 1.00 . A A . 12 HIS HB3 1 1 13 3994 1 1 12 HIS HD1 H 5.559 -2.780 1.770 1.00 . A A . 12 HIS HD1 1 1 13 3995 1 1 12 HIS HD2 H 2.741 -1.162 -0.818 1.00 . A A . 12 HIS HD2 1 1 13 3996 1 1 12 HIS HE1 H 4.316 -4.746 0.815 1.00 . A A . 12 HIS HE1 1 1 13 3997 1 1 12 HIS N N 2.720 0.209 2.077 1.00 . A A . 12 HIS N 1 1 13 3998 1 1 12 HIS ND1 N 4.828 -2.691 1.124 1.00 . A A . 12 HIS ND1 1 1 13 3999 1 1 12 HIS NE2 N 3.249 -3.213 -0.228 1.00 . A A . 12 HIS NE2 1 1 13 4000 1 1 12 HIS O O 4.025 2.280 -0.567 1.00 . A A . 12 HIS O 1 1 13 4001 1 1 13 VAL C C 1.472 3.377 -1.385 1.00 . A A . 13 VAL C 1 1 13 4002 1 1 13 VAL CA C 1.429 1.854 -1.439 1.00 . A A . 13 VAL CA 1 1 13 4003 1 1 13 VAL CB C -0.033 1.398 -1.601 1.00 . A A . 13 VAL CB 1 1 13 4004 1 1 13 VAL CG1 C -0.629 1.963 -2.882 1.00 . A A . 13 VAL CG1 1 1 13 4005 1 1 13 VAL CG2 C -0.122 -0.121 -1.586 1.00 . A A . 13 VAL CG2 1 1 13 4006 1 1 13 VAL H H 1.509 0.667 0.311 1.00 . A A . 13 VAL H 1 1 13 4007 1 1 13 VAL HA H 1.987 1.518 -2.301 1.00 . A A . 13 VAL HA 1 1 13 4008 1 1 13 VAL HB H -0.602 1.779 -0.766 1.00 . A A . 13 VAL HB 1 1 13 4009 1 1 13 VAL HG11 H -0.834 1.155 -3.569 1.00 . A A . 13 VAL HG11 1 1 13 4010 1 1 13 VAL HG12 H -1.548 2.483 -2.651 1.00 . A A . 13 VAL HG12 1 1 13 4011 1 1 13 VAL HG13 H 0.071 2.649 -3.332 1.00 . A A . 13 VAL HG13 1 1 13 4012 1 1 13 VAL HG21 H -1.153 -0.421 -1.693 1.00 . A A . 13 VAL HG21 1 1 13 4013 1 1 13 VAL HG22 H 0.457 -0.524 -2.405 1.00 . A A . 13 VAL HG22 1 1 13 4014 1 1 13 VAL HG23 H 0.269 -0.495 -0.651 1.00 . A A . 13 VAL HG23 1 1 13 4015 1 1 13 VAL N N 2.039 1.270 -0.251 1.00 . A A . 13 VAL N 1 1 13 4016 1 1 13 VAL O O 1.864 4.032 -2.351 1.00 . A A . 13 VAL O 1 1 13 4017 1 1 14 VAL C C 2.410 5.988 -0.432 1.00 . A A . 14 VAL C 1 1 13 4018 1 1 14 VAL CA C 1.059 5.383 -0.069 1.00 . A A . 14 VAL CA 1 1 13 4019 1 1 14 VAL CB C 0.711 5.765 1.382 1.00 . A A . 14 VAL CB 1 1 13 4020 1 1 14 VAL CG1 C 0.744 7.276 1.558 1.00 . A A . 14 VAL CG1 1 1 13 4021 1 1 14 VAL CG2 C -0.649 5.204 1.768 1.00 . A A . 14 VAL CG2 1 1 13 4022 1 1 14 VAL H H 0.764 3.361 0.484 1.00 . A A . 14 VAL H 1 1 13 4023 1 1 14 VAL HA H 0.303 5.797 -0.720 1.00 . A A . 14 VAL HA 1 1 13 4024 1 1 14 VAL HB H 1.454 5.332 2.035 1.00 . A A . 14 VAL HB 1 1 13 4025 1 1 14 VAL HG11 H 1.745 7.584 1.823 1.00 . A A . 14 VAL HG11 1 1 13 4026 1 1 14 VAL HG12 H 0.450 7.752 0.635 1.00 . A A . 14 VAL HG12 1 1 13 4027 1 1 14 VAL HG13 H 0.061 7.561 2.345 1.00 . A A . 14 VAL HG13 1 1 13 4028 1 1 14 VAL HG21 H -1.417 5.690 1.184 1.00 . A A . 14 VAL HG21 1 1 13 4029 1 1 14 VAL HG22 H -0.670 4.141 1.576 1.00 . A A . 14 VAL HG22 1 1 13 4030 1 1 14 VAL HG23 H -0.828 5.383 2.818 1.00 . A A . 14 VAL HG23 1 1 13 4031 1 1 14 VAL N N 1.066 3.936 -0.249 1.00 . A A . 14 VAL N 1 1 13 4032 1 1 14 VAL O O 2.481 7.017 -1.102 1.00 . A A . 14 VAL O 1 1 13 4033 1 1 15 GLY C C 5.080 5.957 -1.762 1.00 . A A . 15 GLY C 1 1 13 4034 1 1 15 GLY CA C 4.818 5.830 -0.274 1.00 . A A . 15 GLY CA 1 1 13 4035 1 1 15 GLY H H 3.365 4.524 0.544 1.00 . A A . 15 GLY H 1 1 13 4036 1 1 15 GLY HA2 H 4.942 6.798 0.187 1.00 . A A . 15 GLY HA2 1 1 13 4037 1 1 15 GLY HA3 H 5.538 5.146 0.149 1.00 . A A . 15 GLY HA3 1 1 13 4038 1 1 15 GLY N N 3.482 5.341 0.014 1.00 . A A . 15 GLY N 1 1 13 4039 1 1 15 GLY O O 5.923 6.748 -2.185 1.00 . A A . 15 GLY O 1 1 13 4040 1 1 16 ALA C C 3.547 6.197 -4.644 1.00 . A A . 16 ALA C 1 1 13 4041 1 1 16 ALA CA C 4.514 5.206 -4.006 1.00 . A A . 16 ALA CA 1 1 13 4042 1 1 16 ALA CB C 4.308 3.815 -4.588 1.00 . A A . 16 ALA CB 1 1 13 4043 1 1 16 ALA H H 3.699 4.567 -2.161 1.00 . A A . 16 ALA H 1 1 13 4044 1 1 16 ALA HA H 5.526 5.514 -4.225 1.00 . A A . 16 ALA HA 1 1 13 4045 1 1 16 ALA HB1 H 5.256 3.423 -4.926 1.00 . A A . 16 ALA HB1 1 1 13 4046 1 1 16 ALA HB2 H 3.899 3.165 -3.829 1.00 . A A . 16 ALA HB2 1 1 13 4047 1 1 16 ALA HB3 H 3.625 3.872 -5.421 1.00 . A A . 16 ALA HB3 1 1 13 4048 1 1 16 ALA N N 4.357 5.177 -2.558 1.00 . A A . 16 ALA N 1 1 13 4049 1 1 16 ALA O O 3.957 7.081 -5.399 1.00 . A A . 16 ALA O 1 1 13 4050 1 1 17 ILE C C 1.539 8.386 -4.552 1.00 . A A . 17 ILE C 1 1 13 4051 1 1 17 ILE CA C 1.238 6.928 -4.881 1.00 . A A . 17 ILE CA 1 1 13 4052 1 1 17 ILE CB C -0.159 6.567 -4.342 1.00 . A A . 17 ILE CB 1 1 13 4053 1 1 17 ILE CD1 C -1.828 4.660 -4.115 1.00 . A A . 17 ILE CD1 1 1 13 4054 1 1 17 ILE CG1 C -0.498 5.113 -4.675 1.00 . A A . 17 ILE CG1 1 1 13 4055 1 1 17 ILE CG2 C -1.207 7.507 -4.920 1.00 . A A . 17 ILE CG2 1 1 13 4056 1 1 17 ILE H H 1.999 5.322 -3.731 1.00 . A A . 17 ILE H 1 1 13 4057 1 1 17 ILE HA H 1.231 6.806 -5.955 1.00 . A A . 17 ILE HA 1 1 13 4058 1 1 17 ILE HB H -0.149 6.692 -3.271 1.00 . A A . 17 ILE HB 1 1 13 4059 1 1 17 ILE HD11 H -1.992 3.624 -4.369 1.00 . A A . 17 ILE HD11 1 1 13 4060 1 1 17 ILE HD12 H -1.826 4.773 -3.042 1.00 . A A . 17 ILE HD12 1 1 13 4061 1 1 17 ILE HD13 H -2.620 5.262 -4.538 1.00 . A A . 17 ILE HD13 1 1 13 4062 1 1 17 ILE HG12 H -0.531 4.993 -5.746 1.00 . A A . 17 ILE HG12 1 1 13 4063 1 1 17 ILE HG13 H 0.269 4.471 -4.268 1.00 . A A . 17 ILE HG13 1 1 13 4064 1 1 17 ILE HG21 H -0.738 8.182 -5.621 1.00 . A A . 17 ILE HG21 1 1 13 4065 1 1 17 ILE HG22 H -1.965 6.930 -5.427 1.00 . A A . 17 ILE HG22 1 1 13 4066 1 1 17 ILE HG23 H -1.660 8.075 -4.121 1.00 . A A . 17 ILE HG23 1 1 13 4067 1 1 17 ILE N N 2.263 6.045 -4.338 1.00 . A A . 17 ILE N 1 1 13 4068 1 1 17 ILE O O 1.268 9.282 -5.351 1.00 . A A . 17 ILE O 1 1 13 4069 1 1 18 ALA C C 3.719 10.452 -3.610 1.00 . A A . 18 ALA C 1 1 13 4070 1 1 18 ALA CA C 2.440 9.966 -2.936 1.00 . A A . 18 ALA CA 1 1 13 4071 1 1 18 ALA CB C 2.588 10.012 -1.422 1.00 . A A . 18 ALA CB 1 1 13 4072 1 1 18 ALA H H 2.292 7.861 -2.777 1.00 . A A . 18 ALA H 1 1 13 4073 1 1 18 ALA HA H 1.627 10.620 -3.214 1.00 . A A . 18 ALA HA 1 1 13 4074 1 1 18 ALA HB1 H 3.588 9.707 -1.150 1.00 . A A . 18 ALA HB1 1 1 13 4075 1 1 18 ALA HB2 H 2.410 11.018 -1.074 1.00 . A A . 18 ALA HB2 1 1 13 4076 1 1 18 ALA HB3 H 1.871 9.342 -0.971 1.00 . A A . 18 ALA HB3 1 1 13 4077 1 1 18 ALA N N 2.100 8.616 -3.370 1.00 . A A . 18 ALA N 1 1 13 4078 1 1 18 ALA O O 4.067 11.630 -3.524 1.00 . A A . 18 ALA O 1 1 13 4079 1 1 19 GLU C C 5.374 10.570 -6.292 1.00 . A A . 19 GLU C 1 1 13 4080 1 1 19 GLU CA C 5.658 9.876 -4.963 1.00 . A A . 19 GLU CA 1 1 13 4081 1 1 19 GLU CB C 6.494 8.617 -5.201 1.00 . A A . 19 GLU CB 1 1 13 4082 1 1 19 GLU CD C 8.739 8.268 -4.097 1.00 . A A . 19 GLU CD 1 1 13 4083 1 1 19 GLU CG C 7.989 8.882 -5.264 1.00 . A A . 19 GLU CG 1 1 13 4084 1 1 19 GLU H H 4.089 8.616 -4.309 1.00 . A A . 19 GLU H 1 1 13 4085 1 1 19 GLU HA H 6.214 10.551 -4.330 1.00 . A A . 19 GLU HA 1 1 13 4086 1 1 19 GLU HB2 H 6.305 7.918 -4.400 1.00 . A A . 19 GLU HB2 1 1 13 4087 1 1 19 GLU HB3 H 6.190 8.170 -6.136 1.00 . A A . 19 GLU HB3 1 1 13 4088 1 1 19 GLU HG2 H 8.378 8.464 -6.180 1.00 . A A . 19 GLU HG2 1 1 13 4089 1 1 19 GLU HG3 H 8.154 9.949 -5.257 1.00 . A A . 19 GLU HG3 1 1 13 4090 1 1 19 GLU N N 4.416 9.539 -4.278 1.00 . A A . 19 GLU N 1 1 13 4091 1 1 19 GLU O O 5.957 11.611 -6.598 1.00 . A A . 19 GLU O 1 1 13 4092 1 1 19 GLU OE1 O 8.789 8.904 -3.023 1.00 . A A . 19 GLU OE1 1 1 13 4093 1 1 19 GLU OE2 O 9.275 7.152 -4.258 1.00 . A A . 19 GLU OE2 1 1 13 4094 1 1 20 HIS C C 3.132 11.707 -8.209 1.00 . A A . 20 HIS C 1 1 13 4095 1 1 20 HIS CA C 4.111 10.550 -8.373 1.00 . A A . 20 HIS CA 1 1 13 4096 1 1 20 HIS CB C 3.500 9.471 -9.267 1.00 . A A . 20 HIS CB 1 1 13 4097 1 1 20 HIS CD2 C 1.268 8.718 -8.181 1.00 . A A . 20 HIS CD2 1 1 13 4098 1 1 20 HIS CE1 C -0.113 9.622 -9.625 1.00 . A A . 20 HIS CE1 1 1 13 4099 1 1 20 HIS CG C 2.015 9.343 -9.121 1.00 . A A . 20 HIS CG 1 1 13 4100 1 1 20 HIS H H 4.043 9.160 -6.777 1.00 . A A . 20 HIS H 1 1 13 4101 1 1 20 HIS HA H 5.013 10.920 -8.838 1.00 . A A . 20 HIS HA 1 1 13 4102 1 1 20 HIS HB2 H 3.711 9.705 -10.300 1.00 . A A . 20 HIS HB2 1 1 13 4103 1 1 20 HIS HB3 H 3.941 8.516 -9.023 1.00 . A A . 20 HIS HB3 1 1 13 4104 1 1 20 HIS HD1 H 1.354 10.419 -10.808 1.00 . A A . 20 HIS HD1 1 1 13 4105 1 1 20 HIS HD2 H 1.639 8.172 -7.326 1.00 . A A . 20 HIS HD2 1 1 13 4106 1 1 20 HIS HE1 H -1.017 9.928 -10.129 1.00 . A A . 20 HIS HE1 1 1 13 4107 1 1 20 HIS N N 4.474 9.987 -7.077 1.00 . A A . 20 HIS N 1 1 13 4108 1 1 20 HIS ND1 N 1.120 9.899 -10.012 1.00 . A A . 20 HIS ND1 1 1 13 4109 1 1 20 HIS NE2 N -0.050 8.905 -8.517 1.00 . A A . 20 HIS NE2 1 1 13 4110 1 1 20 HIS O O 2.981 12.538 -9.105 1.00 . A A . 20 HIS O 1 1 13 4111 1 1 21 PHE C C 2.095 13.858 -5.843 1.00 . A A . 21 PHE C 1 1 13 4112 1 1 21 PHE CA C 1.500 12.809 -6.778 1.00 . A A . 21 PHE CA 1 1 13 4113 1 1 21 PHE CB C 0.234 12.217 -6.158 1.00 . A A . 21 PHE CB 1 1 13 4114 1 1 21 PHE CD1 C -1.759 13.582 -6.838 1.00 . A A . 21 PHE CD1 1 1 13 4115 1 1 21 PHE CD2 C -0.896 13.859 -4.632 1.00 . A A . 21 PHE CD2 1 1 13 4116 1 1 21 PHE CE1 C -2.736 14.523 -6.576 1.00 . A A . 21 PHE CE1 1 1 13 4117 1 1 21 PHE CE2 C -1.871 14.800 -4.365 1.00 . A A . 21 PHE CE2 1 1 13 4118 1 1 21 PHE CG C -0.829 13.239 -5.870 1.00 . A A . 21 PHE CG 1 1 13 4119 1 1 21 PHE CZ C -2.794 15.132 -5.338 1.00 . A A . 21 PHE CZ 1 1 13 4120 1 1 21 PHE H H 2.631 11.063 -6.384 1.00 . A A . 21 PHE H 1 1 13 4121 1 1 21 PHE HA H 1.245 13.282 -7.715 1.00 . A A . 21 PHE HA 1 1 13 4122 1 1 21 PHE HB2 H -0.184 11.488 -6.835 1.00 . A A . 21 PHE HB2 1 1 13 4123 1 1 21 PHE HB3 H 0.490 11.732 -5.227 1.00 . A A . 21 PHE HB3 1 1 13 4124 1 1 21 PHE HD1 H -1.717 13.106 -7.806 1.00 . A A . 21 PHE HD1 1 1 13 4125 1 1 21 PHE HD2 H -0.175 13.599 -3.870 1.00 . A A . 21 PHE HD2 1 1 13 4126 1 1 21 PHE HE1 H -3.457 14.781 -7.339 1.00 . A A . 21 PHE HE1 1 1 13 4127 1 1 21 PHE HE2 H -1.913 15.275 -3.395 1.00 . A A . 21 PHE HE2 1 1 13 4128 1 1 21 PHE HZ H -3.556 15.868 -5.132 1.00 . A A . 21 PHE HZ 1 1 13 4129 1 1 21 PHE N N 2.467 11.754 -7.059 1.00 . A A . 21 PHE N 1 1 13 4130 1 1 21 PHE O O 2.448 14.940 -6.245 1.00 . A A . 21 PHE O 1 1 13 4131 1 1 22 NH2 HN1 H 1.891 12.529 -4.147 1.00 . A A . 22 NH2 HN1 1 1 13 4132 1 1 22 NH2 HN2 H 2.596 14.121 -3.731 1.00 . A A . 22 NH2 HN2 1 1 13 4133 1 1 22 NH2 N N 2.216 13.462 -4.384 1.00 . A A . 22 NH2 N 1 1 13 4134 2 2 1 UNX UNK . -13.970 0.886 -11.660 1.00 . B A . 100 UNX UNK 1 1 14 4135 1 1 1 GLY C C -4.379 -16.331 0.500 1.00 . A A . 1 GLY C 1 1 14 4136 1 1 1 GLY CA C -4.442 -17.439 1.532 1.00 . A A . 1 GLY CA 1 1 14 4137 1 1 1 GLY H1 H -3.531 -16.145 2.895 1.00 . A A . 1 GLY H1 1 1 14 4138 1 1 1 GLY H2 H -4.037 -17.539 3.579 1.00 . A A . 1 GLY H2 1 1 14 4139 1 1 1 GLY H3 H -2.768 -17.410 2.829 1.00 . A A . 1 GLY H3 1 1 14 4140 1 1 1 GLY HA2 H -4.036 -18.342 1.102 1.00 . A A . 1 GLY HA2 1 1 14 4141 1 1 1 GLY HA3 H -5.475 -17.611 1.796 1.00 . A A . 1 GLY HA3 1 1 14 4142 1 1 1 GLY N N -3.699 -17.118 2.737 1.00 . A A . 1 GLY N 1 1 14 4143 1 1 1 GLY O O -3.371 -16.170 -0.189 1.00 . A A . 1 GLY O 1 1 14 4144 1 1 2 LEU C C -5.005 -13.174 0.050 1.00 . A A . 2 LEU C 1 1 14 4145 1 1 2 LEU CA C -5.524 -14.467 -0.570 1.00 . A A . 2 LEU CA 1 1 14 4146 1 1 2 LEU CB C -6.961 -14.274 -1.056 1.00 . A A . 2 LEU CB 1 1 14 4147 1 1 2 LEU CD1 C -6.608 -16.064 -2.776 1.00 . A A . 2 LEU CD1 1 1 14 4148 1 1 2 LEU CD2 C -8.051 -16.515 -0.783 1.00 . A A . 2 LEU CD2 1 1 14 4149 1 1 2 LEU CG C -7.590 -15.464 -1.782 1.00 . A A . 2 LEU CG 1 1 14 4150 1 1 2 LEU H H -6.232 -15.743 0.964 1.00 . A A . 2 LEU H 1 1 14 4151 1 1 2 LEU HA H -4.899 -14.726 -1.411 1.00 . A A . 2 LEU HA 1 1 14 4152 1 1 2 LEU HB2 H -7.574 -14.049 -0.198 1.00 . A A . 2 LEU HB2 1 1 14 4153 1 1 2 LEU HB3 H -6.969 -13.431 -1.733 1.00 . A A . 2 LEU HB3 1 1 14 4154 1 1 2 LEU HD11 H -7.147 -16.633 -3.517 1.00 . A A . 2 LEU HD11 1 1 14 4155 1 1 2 LEU HD12 H -5.919 -16.713 -2.254 1.00 . A A . 2 LEU HD12 1 1 14 4156 1 1 2 LEU HD13 H -6.056 -15.272 -3.260 1.00 . A A . 2 LEU HD13 1 1 14 4157 1 1 2 LEU HD21 H -8.190 -16.055 0.184 1.00 . A A . 2 LEU HD21 1 1 14 4158 1 1 2 LEU HD22 H -7.303 -17.292 -0.708 1.00 . A A . 2 LEU HD22 1 1 14 4159 1 1 2 LEU HD23 H -8.985 -16.943 -1.115 1.00 . A A . 2 LEU HD23 1 1 14 4160 1 1 2 LEU HG H -8.456 -15.123 -2.334 1.00 . A A . 2 LEU HG 1 1 14 4161 1 1 2 LEU N N -5.460 -15.566 0.389 1.00 . A A . 2 LEU N 1 1 14 4162 1 1 2 LEU O O -4.535 -12.280 -0.656 1.00 . A A . 2 LEU O 1 1 14 4163 1 1 3 PHE C C -3.116 -11.927 2.270 1.00 . A A . 3 PHE C 1 1 14 4164 1 1 3 PHE CA C -4.631 -11.895 2.087 1.00 . A A . 3 PHE CA 1 1 14 4165 1 1 3 PHE CB C -5.318 -11.796 3.449 1.00 . A A . 3 PHE CB 1 1 14 4166 1 1 3 PHE CD1 C -7.475 -10.633 2.911 1.00 . A A . 3 PHE CD1 1 1 14 4167 1 1 3 PHE CD2 C -5.913 -9.523 4.329 1.00 . A A . 3 PHE CD2 1 1 14 4168 1 1 3 PHE CE1 C -8.338 -9.557 3.015 1.00 . A A . 3 PHE CE1 1 1 14 4169 1 1 3 PHE CE2 C -6.771 -8.445 4.437 1.00 . A A . 3 PHE CE2 1 1 14 4170 1 1 3 PHE CG C -6.254 -10.627 3.565 1.00 . A A . 3 PHE CG 1 1 14 4171 1 1 3 PHE CZ C -7.986 -8.463 3.780 1.00 . A A . 3 PHE CZ 1 1 14 4172 1 1 3 PHE H H -5.476 -13.826 1.880 1.00 . A A . 3 PHE H 1 1 14 4173 1 1 3 PHE HA H -4.892 -11.031 1.497 1.00 . A A . 3 PHE HA 1 1 14 4174 1 1 3 PHE HB2 H -5.890 -12.696 3.623 1.00 . A A . 3 PHE HB2 1 1 14 4175 1 1 3 PHE HB3 H -4.566 -11.699 4.218 1.00 . A A . 3 PHE HB3 1 1 14 4176 1 1 3 PHE HD1 H -7.752 -11.489 2.312 1.00 . A A . 3 PHE HD1 1 1 14 4177 1 1 3 PHE HD2 H -4.962 -9.508 4.844 1.00 . A A . 3 PHE HD2 1 1 14 4178 1 1 3 PHE HE1 H -9.287 -9.575 2.500 1.00 . A A . 3 PHE HE1 1 1 14 4179 1 1 3 PHE HE2 H -6.492 -7.591 5.036 1.00 . A A . 3 PHE HE2 1 1 14 4180 1 1 3 PHE HZ H -8.658 -7.622 3.862 1.00 . A A . 3 PHE HZ 1 1 14 4181 1 1 3 PHE N N -5.092 -13.080 1.372 1.00 . A A . 3 PHE N 1 1 14 4182 1 1 3 PHE O O -2.465 -10.885 2.328 1.00 . A A . 3 PHE O 1 1 14 4183 1 1 4 GLY C C -0.335 -12.486 1.515 1.00 . A A . 4 GLY C 1 1 14 4184 1 1 4 GLY CA C -1.128 -13.277 2.536 1.00 . A A . 4 GLY CA 1 1 14 4185 1 1 4 GLY H H -3.129 -13.929 2.307 1.00 . A A . 4 GLY H 1 1 14 4186 1 1 4 GLY HA2 H -0.861 -12.937 3.525 1.00 . A A . 4 GLY HA2 1 1 14 4187 1 1 4 GLY HA3 H -0.870 -14.322 2.443 1.00 . A A . 4 GLY HA3 1 1 14 4188 1 1 4 GLY N N -2.561 -13.132 2.360 1.00 . A A . 4 GLY N 1 1 14 4189 1 1 4 GLY O O 0.778 -12.040 1.792 1.00 . A A . 4 GLY O 1 1 14 4190 1 1 5 VAL C C -0.733 -10.125 -0.784 1.00 . A A . 5 VAL C 1 1 14 4191 1 1 5 VAL CA C -0.248 -11.569 -0.739 1.00 . A A . 5 VAL CA 1 1 14 4192 1 1 5 VAL CB C -0.489 -12.225 -2.111 1.00 . A A . 5 VAL CB 1 1 14 4193 1 1 5 VAL CG1 C 0.177 -11.417 -3.214 1.00 . A A . 5 VAL CG1 1 1 14 4194 1 1 5 VAL CG2 C 0.014 -13.660 -2.112 1.00 . A A . 5 VAL CG2 1 1 14 4195 1 1 5 VAL H H -1.798 -12.691 0.167 1.00 . A A . 5 VAL H 1 1 14 4196 1 1 5 VAL HA H 0.815 -11.576 -0.542 1.00 . A A . 5 VAL HA 1 1 14 4197 1 1 5 VAL HB H -1.554 -12.238 -2.298 1.00 . A A . 5 VAL HB 1 1 14 4198 1 1 5 VAL HG11 H 1.101 -10.998 -2.844 1.00 . A A . 5 VAL HG11 1 1 14 4199 1 1 5 VAL HG12 H 0.385 -12.059 -4.056 1.00 . A A . 5 VAL HG12 1 1 14 4200 1 1 5 VAL HG13 H -0.480 -10.618 -3.523 1.00 . A A . 5 VAL HG13 1 1 14 4201 1 1 5 VAL HG21 H 0.467 -13.882 -3.067 1.00 . A A . 5 VAL HG21 1 1 14 4202 1 1 5 VAL HG22 H 0.746 -13.786 -1.327 1.00 . A A . 5 VAL HG22 1 1 14 4203 1 1 5 VAL HG23 H -0.815 -14.333 -1.943 1.00 . A A . 5 VAL HG23 1 1 14 4204 1 1 5 VAL N N -0.908 -12.312 0.329 1.00 . A A . 5 VAL N 1 1 14 4205 1 1 5 VAL O O -0.032 -9.238 -1.276 1.00 . A A . 5 VAL O 1 1 14 4206 1 1 6 LEU C C -1.563 -7.559 0.403 1.00 . A A . 6 LEU C 1 1 14 4207 1 1 6 LEU CA C -2.515 -8.555 -0.251 1.00 . A A . 6 LEU CA 1 1 14 4208 1 1 6 LEU CB C -3.850 -8.567 0.495 1.00 . A A . 6 LEU CB 1 1 14 4209 1 1 6 LEU CD1 C -6.341 -8.848 0.506 1.00 . A A . 6 LEU CD1 1 1 14 4210 1 1 6 LEU CD2 C -5.230 -7.647 -1.386 1.00 . A A . 6 LEU CD2 1 1 14 4211 1 1 6 LEU CG C -5.098 -8.769 -0.366 1.00 . A A . 6 LEU CG 1 1 14 4212 1 1 6 LEU H H -2.446 -10.639 0.107 1.00 . A A . 6 LEU H 1 1 14 4213 1 1 6 LEU HA H -2.686 -8.254 -1.274 1.00 . A A . 6 LEU HA 1 1 14 4214 1 1 6 LEU HB2 H -3.817 -9.365 1.220 1.00 . A A . 6 LEU HB2 1 1 14 4215 1 1 6 LEU HB3 H -3.950 -7.621 1.007 1.00 . A A . 6 LEU HB3 1 1 14 4216 1 1 6 LEU HD11 H -6.062 -8.733 1.542 1.00 . A A . 6 LEU HD11 1 1 14 4217 1 1 6 LEU HD12 H -6.819 -9.806 0.366 1.00 . A A . 6 LEU HD12 1 1 14 4218 1 1 6 LEU HD13 H -7.026 -8.060 0.228 1.00 . A A . 6 LEU HD13 1 1 14 4219 1 1 6 LEU HD21 H -4.933 -6.713 -0.933 1.00 . A A . 6 LEU HD21 1 1 14 4220 1 1 6 LEU HD22 H -6.257 -7.578 -1.714 1.00 . A A . 6 LEU HD22 1 1 14 4221 1 1 6 LEU HD23 H -4.594 -7.855 -2.234 1.00 . A A . 6 LEU HD23 1 1 14 4222 1 1 6 LEU HG H -5.009 -9.703 -0.905 1.00 . A A . 6 LEU HG 1 1 14 4223 1 1 6 LEU N N -1.935 -9.894 -0.269 1.00 . A A . 6 LEU N 1 1 14 4224 1 1 6 LEU O O -1.593 -6.366 0.100 1.00 . A A . 6 LEU O 1 1 14 4225 1 1 7 ALA C C 1.184 -6.524 1.007 1.00 . A A . 7 ALA C 1 1 14 4226 1 1 7 ALA CA C 0.245 -7.210 1.993 1.00 . A A . 7 ALA CA 1 1 14 4227 1 1 7 ALA CB C 1.040 -8.030 2.997 1.00 . A A . 7 ALA CB 1 1 14 4228 1 1 7 ALA H H -0.742 -9.016 1.499 1.00 . A A . 7 ALA H 1 1 14 4229 1 1 7 ALA HA H -0.304 -6.455 2.536 1.00 . A A . 7 ALA HA 1 1 14 4230 1 1 7 ALA HB1 H 0.363 -8.492 3.701 1.00 . A A . 7 ALA HB1 1 1 14 4231 1 1 7 ALA HB2 H 1.597 -8.796 2.478 1.00 . A A . 7 ALA HB2 1 1 14 4232 1 1 7 ALA HB3 H 1.725 -7.386 3.527 1.00 . A A . 7 ALA HB3 1 1 14 4233 1 1 7 ALA N N -0.718 -8.056 1.300 1.00 . A A . 7 ALA N 1 1 14 4234 1 1 7 ALA O O 1.710 -5.446 1.280 1.00 . A A . 7 ALA O 1 1 14 4235 1 1 8 LYS C C 1.755 -5.255 -1.656 1.00 . A A . 8 LYS C 1 1 14 4236 1 1 8 LYS CA C 2.265 -6.609 -1.173 1.00 . A A . 8 LYS CA 1 1 14 4237 1 1 8 LYS CB C 2.368 -7.576 -2.353 1.00 . A A . 8 LYS CB 1 1 14 4238 1 1 8 LYS CD C 3.794 -7.281 -4.401 1.00 . A A . 8 LYS CD 1 1 14 4239 1 1 8 LYS CE C 5.211 -7.002 -4.878 1.00 . A A . 8 LYS CE 1 1 14 4240 1 1 8 LYS CG C 3.768 -7.680 -2.935 1.00 . A A . 8 LYS CG 1 1 14 4241 1 1 8 LYS H H 0.943 -8.014 -0.305 1.00 . A A . 8 LYS H 1 1 14 4242 1 1 8 LYS HA H 3.246 -6.477 -0.739 1.00 . A A . 8 LYS HA 1 1 14 4243 1 1 8 LYS HB2 H 2.064 -8.560 -2.024 1.00 . A A . 8 LYS HB2 1 1 14 4244 1 1 8 LYS HB3 H 1.700 -7.245 -3.135 1.00 . A A . 8 LYS HB3 1 1 14 4245 1 1 8 LYS HD2 H 3.379 -8.084 -4.991 1.00 . A A . 8 LYS HD2 1 1 14 4246 1 1 8 LYS HD3 H 3.196 -6.389 -4.533 1.00 . A A . 8 LYS HD3 1 1 14 4247 1 1 8 LYS HE2 H 5.905 -7.439 -4.177 1.00 . A A . 8 LYS HE2 1 1 14 4248 1 1 8 LYS HE3 H 5.345 -7.455 -5.848 1.00 . A A . 8 LYS HE3 1 1 14 4249 1 1 8 LYS HG2 H 4.427 -7.026 -2.384 1.00 . A A . 8 LYS HG2 1 1 14 4250 1 1 8 LYS HG3 H 4.112 -8.700 -2.843 1.00 . A A . 8 LYS HG3 1 1 14 4251 1 1 8 LYS HZ1 H 4.607 -5.003 -4.827 1.00 . A A . 8 LYS HZ1 1 1 14 4252 1 1 8 LYS HZ2 H 5.852 -5.314 -5.929 1.00 . A A . 8 LYS HZ2 1 1 14 4253 1 1 8 LYS HZ3 H 6.185 -5.256 -4.271 1.00 . A A . 8 LYS HZ3 1 1 14 4254 1 1 8 LYS N N 1.391 -7.157 -0.144 1.00 . A A . 8 LYS N 1 1 14 4255 1 1 8 LYS NZ N 5.483 -5.542 -4.983 1.00 . A A . 8 LYS NZ 1 1 14 4256 1 1 8 LYS O O 2.499 -4.475 -2.249 1.00 . A A . 8 LYS O 1 1 14 4257 1 1 9 VAL C C -0.843 -3.053 -0.633 1.00 . A A . 9 VAL C 1 1 14 4258 1 1 9 VAL CA C -0.129 -3.720 -1.803 1.00 . A A . 9 VAL CA 1 1 14 4259 1 1 9 VAL CB C -1.133 -3.927 -2.952 1.00 . A A . 9 VAL CB 1 1 14 4260 1 1 9 VAL CG1 C -1.455 -2.601 -3.625 1.00 . A A . 9 VAL CG1 1 1 14 4261 1 1 9 VAL CG2 C -0.592 -4.929 -3.960 1.00 . A A . 9 VAL CG2 1 1 14 4262 1 1 9 VAL H H -0.063 -5.643 -0.921 1.00 . A A . 9 VAL H 1 1 14 4263 1 1 9 VAL HA H 0.657 -3.067 -2.153 1.00 . A A . 9 VAL HA 1 1 14 4264 1 1 9 VAL HB H -2.048 -4.325 -2.537 1.00 . A A . 9 VAL HB 1 1 14 4265 1 1 9 VAL HG11 H -1.964 -2.787 -4.560 1.00 . A A . 9 VAL HG11 1 1 14 4266 1 1 9 VAL HG12 H -2.089 -2.012 -2.979 1.00 . A A . 9 VAL HG12 1 1 14 4267 1 1 9 VAL HG13 H -0.538 -2.064 -3.817 1.00 . A A . 9 VAL HG13 1 1 14 4268 1 1 9 VAL HG21 H -0.747 -5.931 -3.589 1.00 . A A . 9 VAL HG21 1 1 14 4269 1 1 9 VAL HG22 H -1.108 -4.809 -4.901 1.00 . A A . 9 VAL HG22 1 1 14 4270 1 1 9 VAL HG23 H 0.465 -4.758 -4.105 1.00 . A A . 9 VAL HG23 1 1 14 4271 1 1 9 VAL N N 0.480 -4.981 -1.397 1.00 . A A . 9 VAL N 1 1 14 4272 1 1 9 VAL O O -1.973 -2.584 -0.766 1.00 . A A . 9 VAL O 1 1 14 4273 1 1 10 ALA C C 0.350 -1.976 2.684 1.00 . A A . 10 ALA C 1 1 14 4274 1 1 10 ALA CA C -0.744 -2.400 1.710 1.00 . A A . 10 ALA CA 1 1 14 4275 1 1 10 ALA CB C -1.711 -3.360 2.386 1.00 . A A . 10 ALA CB 1 1 14 4276 1 1 10 ALA H H 0.723 -3.404 0.560 1.00 . A A . 10 ALA H 1 1 14 4277 1 1 10 ALA HA H -1.298 -1.525 1.404 1.00 . A A . 10 ALA HA 1 1 14 4278 1 1 10 ALA HB1 H -1.173 -3.970 3.098 1.00 . A A . 10 ALA HB1 1 1 14 4279 1 1 10 ALA HB2 H -2.477 -2.798 2.898 1.00 . A A . 10 ALA HB2 1 1 14 4280 1 1 10 ALA HB3 H -2.167 -3.995 1.640 1.00 . A A . 10 ALA HB3 1 1 14 4281 1 1 10 ALA N N -0.174 -3.013 0.516 1.00 . A A . 10 ALA N 1 1 14 4282 1 1 10 ALA O O 0.813 -2.813 3.434 1.00 . A A . 10 ALA O 1 1 14 4283 1 1 11 . C C 2.945 0.780 2.590 1.00 . A A . 11 I4G C 1 1 14 4284 1 1 11 . CA C 1.905 0.050 3.404 1.00 . A A . 11 I4G CA 1 1 14 4285 1 1 11 . CB C 0.177 0.469 1.692 1.00 . A A . 11 I4G CB 1 1 14 4286 1 1 11 . CD1 C -1.777 0.345 3.342 1.00 . A A . 11 I4G CD1 1 1 14 4287 1 1 11 . CD2 C -0.472 2.490 3.066 1.00 . A A . 11 I4G CD2 1 1 14 4288 1 1 11 . CG C -1.002 1.238 2.341 1.00 . A A . 11 I4G CG 1 1 14 4289 1 1 11 . HA2 H 2.345 -0.717 3.872 1.00 . A A . 11 I4G HA2 1 1 14 4290 1 1 11 . HA3 H 1.526 0.681 4.081 1.00 . A A . 11 I4G HA3 1 1 14 4291 1 1 11 . HB2 H -0.145 -0.041 0.894 1.00 . A A . 11 I4G HB2 1 1 14 4292 1 1 11 . HB3 H 0.891 1.110 1.413 1.00 . A A . 11 I4G HB3 1 1 14 4293 1 1 11 . HD11 H -2.583 0.909 3.812 1.00 . A A . 11 I4G HD11 1 1 14 4294 1 1 11 . HD12 H -2.213 -0.514 2.833 1.00 . A A . 11 I4G HD12 1 1 14 4295 1 1 11 . HD13 H -1.106 -0.022 4.122 1.00 . A A . 11 I4G HD13 1 1 14 4296 1 1 11 . HD21 H -1.294 3.056 3.510 1.00 . A A . 11 I4G HD21 1 1 14 4297 1 1 11 . HD22 H 0.224 2.211 3.861 1.00 . A A . 11 I4G HD22 1 1 14 4298 1 1 11 . HD23 H 0.053 3.146 2.367 1.00 . A A . 11 I4G HD23 1 1 14 4299 1 1 11 . HG H -1.692 1.566 1.560 1.00 . A A . 11 I4G HG 1 1 14 4300 1 1 11 . N N 0.778 -0.494 2.625 1.00 . A A . 11 I4G N 1 1 14 4301 1 1 11 . O O 3.500 1.801 3.000 1.00 . A A . 11 I4G O 1 1 14 4302 1 1 12 HIS C C 3.417 1.622 -0.636 1.00 . A A . 12 HIS C 1 1 14 4303 1 1 12 HIS CA C 4.140 0.862 0.471 1.00 . A A . 12 HIS CA 1 1 14 4304 1 1 12 HIS CB C 5.046 -0.208 -0.137 1.00 . A A . 12 HIS CB 1 1 14 4305 1 1 12 HIS CD2 C 3.283 -1.455 -1.574 1.00 . A A . 12 HIS CD2 1 1 14 4306 1 1 12 HIS CE1 C 4.403 -1.536 -3.456 1.00 . A A . 12 HIS CE1 1 1 14 4307 1 1 12 HIS CG C 4.476 -0.850 -1.364 1.00 . A A . 12 HIS CG 1 1 14 4308 1 1 12 HIS H H 2.713 -0.559 1.124 1.00 . A A . 12 HIS H 1 1 14 4309 1 1 12 HIS HA H 4.747 1.558 1.031 1.00 . A A . 12 HIS HA 1 1 14 4310 1 1 12 HIS HB2 H 5.991 0.239 -0.406 1.00 . A A . 12 HIS HB2 1 1 14 4311 1 1 12 HIS HB3 H 5.217 -0.985 0.595 1.00 . A A . 12 HIS HB3 1 1 14 4312 1 1 12 HIS HD1 H 6.052 -0.564 -2.733 1.00 . A A . 12 HIS HD1 1 1 14 4313 1 1 12 HIS HD2 H 2.493 -1.585 -0.847 1.00 . A A . 12 HIS HD2 1 1 14 4314 1 1 12 HIS HE1 H 4.675 -1.733 -4.483 1.00 . A A . 12 HIS HE1 1 1 14 4315 1 1 12 HIS N N 3.187 0.256 1.394 1.00 . A A . 12 HIS N 1 1 14 4316 1 1 12 HIS ND1 N 5.154 -0.918 -2.563 1.00 . A A . 12 HIS ND1 1 1 14 4317 1 1 12 HIS NE2 N 3.263 -1.873 -2.882 1.00 . A A . 12 HIS NE2 1 1 14 4318 1 1 12 HIS O O 3.992 2.499 -1.281 1.00 . A A . 12 HIS O 1 1 14 4319 1 1 13 VAL C C 1.335 3.441 -1.695 1.00 . A A . 13 VAL C 1 1 14 4320 1 1 13 VAL CA C 1.348 1.928 -1.883 1.00 . A A . 13 VAL CA 1 1 14 4321 1 1 13 VAL CB C -0.101 1.408 -1.875 1.00 . A A . 13 VAL CB 1 1 14 4322 1 1 13 VAL CG1 C -0.956 2.193 -2.859 1.00 . A A . 13 VAL CG1 1 1 14 4323 1 1 13 VAL CG2 C -0.136 -0.078 -2.195 1.00 . A A . 13 VAL CG2 1 1 14 4324 1 1 13 VAL H H 1.747 0.572 -0.308 1.00 . A A . 13 VAL H 1 1 14 4325 1 1 13 VAL HA H 1.786 1.697 -2.843 1.00 . A A . 13 VAL HA 1 1 14 4326 1 1 13 VAL HB H -0.509 1.551 -0.885 1.00 . A A . 13 VAL HB 1 1 14 4327 1 1 13 VAL HG11 H -1.471 2.985 -2.335 1.00 . A A . 13 VAL HG11 1 1 14 4328 1 1 13 VAL HG12 H -0.325 2.618 -3.625 1.00 . A A . 13 VAL HG12 1 1 14 4329 1 1 13 VAL HG13 H -1.680 1.533 -3.313 1.00 . A A . 13 VAL HG13 1 1 14 4330 1 1 13 VAL HG21 H 0.494 -0.610 -1.498 1.00 . A A . 13 VAL HG21 1 1 14 4331 1 1 13 VAL HG22 H -1.150 -0.442 -2.114 1.00 . A A . 13 VAL HG22 1 1 14 4332 1 1 13 VAL HG23 H 0.224 -0.239 -3.200 1.00 . A A . 13 VAL HG23 1 1 14 4333 1 1 13 VAL N N 2.150 1.278 -0.853 1.00 . A A . 13 VAL N 1 1 14 4334 1 1 13 VAL O O 1.830 4.186 -2.542 1.00 . A A . 13 VAL O 1 1 14 4335 1 1 14 VAL C C 2.062 5.969 -0.372 1.00 . A A . 14 VAL C 1 1 14 4336 1 1 14 VAL CA C 0.689 5.314 -0.282 1.00 . A A . 14 VAL CA 1 1 14 4337 1 1 14 VAL CB C 0.104 5.563 1.122 1.00 . A A . 14 VAL CB 1 1 14 4338 1 1 14 VAL CG1 C 0.134 7.045 1.459 1.00 . A A . 14 VAL CG1 1 1 14 4339 1 1 14 VAL CG2 C -1.312 5.015 1.213 1.00 . A A . 14 VAL CG2 1 1 14 4340 1 1 14 VAL H H 0.388 3.247 0.054 1.00 . A A . 14 VAL H 1 1 14 4341 1 1 14 VAL HA H 0.033 5.774 -1.008 1.00 . A A . 14 VAL HA 1 1 14 4342 1 1 14 VAL HB H 0.716 5.040 1.841 1.00 . A A . 14 VAL HB 1 1 14 4343 1 1 14 VAL HG11 H -0.698 7.284 2.104 1.00 . A A . 14 VAL HG11 1 1 14 4344 1 1 14 VAL HG12 H 1.061 7.281 1.962 1.00 . A A . 14 VAL HG12 1 1 14 4345 1 1 14 VAL HG13 H 0.061 7.622 0.548 1.00 . A A . 14 VAL HG13 1 1 14 4346 1 1 14 VAL HG21 H -1.341 4.021 0.792 1.00 . A A . 14 VAL HG21 1 1 14 4347 1 1 14 VAL HG22 H -1.618 4.977 2.249 1.00 . A A . 14 VAL HG22 1 1 14 4348 1 1 14 VAL HG23 H -1.983 5.659 0.663 1.00 . A A . 14 VAL HG23 1 1 14 4349 1 1 14 VAL N N 0.765 3.889 -0.581 1.00 . A A . 14 VAL N 1 1 14 4350 1 1 14 VAL O O 2.180 7.146 -0.712 1.00 . A A . 14 VAL O 1 1 14 4351 1 1 15 GLY C C 4.905 6.020 -1.531 1.00 . A A . 15 GLY C 1 1 14 4352 1 1 15 GLY CA C 4.454 5.721 -0.116 1.00 . A A . 15 GLY CA 1 1 14 4353 1 1 15 GLY H H 2.947 4.267 0.201 1.00 . A A . 15 GLY H 1 1 14 4354 1 1 15 GLY HA2 H 4.499 6.630 0.465 1.00 . A A . 15 GLY HA2 1 1 14 4355 1 1 15 GLY HA3 H 5.125 4.994 0.318 1.00 . A A . 15 GLY HA3 1 1 14 4356 1 1 15 GLY N N 3.101 5.198 -0.063 1.00 . A A . 15 GLY N 1 1 14 4357 1 1 15 GLY O O 5.767 6.871 -1.748 1.00 . A A . 15 GLY O 1 1 14 4358 1 1 16 ALA C C 3.709 6.486 -4.573 1.00 . A A . 16 ALA C 1 1 14 4359 1 1 16 ALA CA C 4.671 5.512 -3.900 1.00 . A A . 16 ALA CA 1 1 14 4360 1 1 16 ALA CB C 4.674 4.179 -4.633 1.00 . A A . 16 ALA CB 1 1 14 4361 1 1 16 ALA H H 3.642 4.653 -2.262 1.00 . A A . 16 ALA H 1 1 14 4362 1 1 16 ALA HA H 5.670 5.922 -3.942 1.00 . A A . 16 ALA HA 1 1 14 4363 1 1 16 ALA HB1 H 4.157 3.441 -4.038 1.00 . A A . 16 ALA HB1 1 1 14 4364 1 1 16 ALA HB2 H 4.174 4.290 -5.583 1.00 . A A . 16 ALA HB2 1 1 14 4365 1 1 16 ALA HB3 H 5.694 3.862 -4.796 1.00 . A A . 16 ALA HB3 1 1 14 4366 1 1 16 ALA N N 4.323 5.318 -2.498 1.00 . A A . 16 ALA N 1 1 14 4367 1 1 16 ALA O O 4.133 7.420 -5.255 1.00 . A A . 16 ALA O 1 1 14 4368 1 1 17 ILE C C 1.600 8.576 -4.563 1.00 . A A . 17 ILE C 1 1 14 4369 1 1 17 ILE CA C 1.393 7.120 -4.967 1.00 . A A . 17 ILE CA 1 1 14 4370 1 1 17 ILE CB C -0.022 6.679 -4.550 1.00 . A A . 17 ILE CB 1 1 14 4371 1 1 17 ILE CD1 C -1.667 4.739 -4.645 1.00 . A A . 17 ILE CD1 1 1 14 4372 1 1 17 ILE CG1 C -0.286 5.242 -5.004 1.00 . A A . 17 ILE CG1 1 1 14 4373 1 1 17 ILE CG2 C -1.063 7.623 -5.131 1.00 . A A . 17 ILE CG2 1 1 14 4374 1 1 17 ILE H H 2.139 5.502 -3.826 1.00 . A A . 17 ILE H 1 1 14 4375 1 1 17 ILE HA H 1.471 7.041 -6.042 1.00 . A A . 17 ILE HA 1 1 14 4376 1 1 17 ILE HB H -0.088 6.727 -3.475 1.00 . A A . 17 ILE HB 1 1 14 4377 1 1 17 ILE HD11 H -2.407 5.274 -5.223 1.00 . A A . 17 ILE HD11 1 1 14 4378 1 1 17 ILE HD12 H -1.735 3.683 -4.862 1.00 . A A . 17 ILE HD12 1 1 14 4379 1 1 17 ILE HD13 H -1.847 4.903 -3.592 1.00 . A A . 17 ILE HD13 1 1 14 4380 1 1 17 ILE HG12 H -0.180 5.184 -6.076 1.00 . A A . 17 ILE HG12 1 1 14 4381 1 1 17 ILE HG13 H 0.437 4.587 -4.540 1.00 . A A . 17 ILE HG13 1 1 14 4382 1 1 17 ILE HG21 H -0.887 8.623 -4.764 1.00 . A A . 17 ILE HG21 1 1 14 4383 1 1 17 ILE HG22 H -0.992 7.619 -6.208 1.00 . A A . 17 ILE HG22 1 1 14 4384 1 1 17 ILE HG23 H -2.050 7.300 -4.834 1.00 . A A . 17 ILE HG23 1 1 14 4385 1 1 17 ILE N N 2.415 6.262 -4.379 1.00 . A A . 17 ILE N 1 1 14 4386 1 1 17 ILE O O 1.359 9.489 -5.352 1.00 . A A . 17 ILE O 1 1 14 4387 1 1 18 ALA C C 3.520 10.749 -3.479 1.00 . A A . 18 ALA C 1 1 14 4388 1 1 18 ALA CA C 2.292 10.129 -2.822 1.00 . A A . 18 ALA CA 1 1 14 4389 1 1 18 ALA CB C 2.456 10.101 -1.310 1.00 . A A . 18 ALA CB 1 1 14 4390 1 1 18 ALA H H 2.223 8.015 -2.749 1.00 . A A . 18 ALA H 1 1 14 4391 1 1 18 ALA HA H 1.428 10.734 -3.055 1.00 . A A . 18 ALA HA 1 1 14 4392 1 1 18 ALA HB1 H 2.285 11.090 -0.912 1.00 . A A . 18 ALA HB1 1 1 14 4393 1 1 18 ALA HB2 H 1.743 9.412 -0.883 1.00 . A A . 18 ALA HB2 1 1 14 4394 1 1 18 ALA HB3 H 3.458 9.780 -1.063 1.00 . A A . 18 ALA HB3 1 1 14 4395 1 1 18 ALA N N 2.049 8.784 -3.330 1.00 . A A . 18 ALA N 1 1 14 4396 1 1 18 ALA O O 3.740 11.957 -3.388 1.00 . A A . 18 ALA O 1 1 14 4397 1 1 19 GLU C C 5.178 11.182 -6.062 1.00 . A A . 19 GLU C 1 1 14 4398 1 1 19 GLU CA C 5.526 10.384 -4.808 1.00 . A A . 19 GLU CA 1 1 14 4399 1 1 19 GLU CB C 6.424 9.201 -5.176 1.00 . A A . 19 GLU CB 1 1 14 4400 1 1 19 GLU CD C 8.622 8.785 -6.350 1.00 . A A . 19 GLU CD 1 1 14 4401 1 1 19 GLU CG C 7.898 9.561 -5.266 1.00 . A A . 19 GLU CG 1 1 14 4402 1 1 19 GLU H H 4.091 8.964 -4.175 1.00 . A A . 19 GLU H 1 1 14 4403 1 1 19 GLU HA H 6.057 11.027 -4.123 1.00 . A A . 19 GLU HA 1 1 14 4404 1 1 19 GLU HB2 H 6.308 8.431 -4.429 1.00 . A A . 19 GLU HB2 1 1 14 4405 1 1 19 GLU HB3 H 6.111 8.812 -6.134 1.00 . A A . 19 GLU HB3 1 1 14 4406 1 1 19 GLU HG2 H 7.985 10.615 -5.480 1.00 . A A . 19 GLU HG2 1 1 14 4407 1 1 19 GLU HG3 H 8.366 9.347 -4.317 1.00 . A A . 19 GLU HG3 1 1 14 4408 1 1 19 GLU N N 4.318 9.916 -4.138 1.00 . A A . 19 GLU N 1 1 14 4409 1 1 19 GLU O O 5.656 12.302 -6.251 1.00 . A A . 19 GLU O 1 1 14 4410 1 1 19 GLU OE1 O 8.304 8.990 -7.540 1.00 . A A . 19 GLU OE1 1 1 14 4411 1 1 19 GLU OE2 O 9.508 7.975 -6.007 1.00 . A A . 19 GLU OE2 1 1 14 4412 1 1 20 HIS C C 2.889 12.331 -7.872 1.00 . A A . 20 HIS C 1 1 14 4413 1 1 20 HIS CA C 3.931 11.253 -8.152 1.00 . A A . 20 HIS CA 1 1 14 4414 1 1 20 HIS CB C 3.369 10.226 -9.135 1.00 . A A . 20 HIS CB 1 1 14 4415 1 1 20 HIS CD2 C 1.296 8.984 -8.193 1.00 . A A . 20 HIS CD2 1 1 14 4416 1 1 20 HIS CE1 C -0.263 10.180 -9.164 1.00 . A A . 20 HIS CE1 1 1 14 4417 1 1 20 HIS CG C 1.914 9.936 -8.931 1.00 . A A . 20 HIS CG 1 1 14 4418 1 1 20 HIS H H 3.997 9.705 -6.709 1.00 . A A . 20 HIS H 1 1 14 4419 1 1 20 HIS HA H 4.803 11.717 -8.588 1.00 . A A . 20 HIS HA 1 1 14 4420 1 1 20 HIS HB2 H 3.496 10.595 -10.142 1.00 . A A . 20 HIS HB2 1 1 14 4421 1 1 20 HIS HB3 H 3.912 9.298 -9.027 1.00 . A A . 20 HIS HB3 1 1 14 4422 1 1 20 HIS HD1 H 1.037 11.432 -10.127 1.00 . A A . 20 HIS HD1 1 1 14 4423 1 1 20 HIS HD2 H 1.778 8.227 -7.589 1.00 . A A . 20 HIS HD2 1 1 14 4424 1 1 20 HIS HE1 H -1.227 10.554 -9.474 1.00 . A A . 20 HIS HE1 1 1 14 4425 1 1 20 HIS N N 4.344 10.598 -6.915 1.00 . A A . 20 HIS N 1 1 14 4426 1 1 20 HIS ND1 N 0.910 10.667 -9.528 1.00 . A A . 20 HIS ND1 1 1 14 4427 1 1 20 HIS NE2 N -0.056 9.158 -8.354 1.00 . A A . 20 HIS NE2 1 1 14 4428 1 1 20 HIS O O 2.733 13.275 -8.649 1.00 . A A . 20 HIS O 1 1 14 4429 1 1 21 PHE C C 1.700 14.178 -5.402 1.00 . A A . 21 PHE C 1 1 14 4430 1 1 21 PHE CA C 1.147 13.147 -6.380 1.00 . A A . 21 PHE CA 1 1 14 4431 1 1 21 PHE CB C -0.048 12.424 -5.755 1.00 . A A . 21 PHE CB 1 1 14 4432 1 1 21 PHE CD1 C -1.673 12.985 -7.583 1.00 . A A . 21 PHE CD1 1 1 14 4433 1 1 21 PHE CD2 C -2.328 13.381 -5.326 1.00 . A A . 21 PHE CD2 1 1 14 4434 1 1 21 PHE CE1 C -2.894 13.460 -8.024 1.00 . A A . 21 PHE CE1 1 1 14 4435 1 1 21 PHE CE2 C -3.551 13.857 -5.760 1.00 . A A . 21 PHE CE2 1 1 14 4436 1 1 21 PHE CG C -1.376 12.940 -6.231 1.00 . A A . 21 PHE CG 1 1 14 4437 1 1 21 PHE CZ C -3.834 13.896 -7.111 1.00 . A A . 21 PHE CZ 1 1 14 4438 1 1 21 PHE H H 2.346 11.413 -6.182 1.00 . A A . 21 PHE H 1 1 14 4439 1 1 21 PHE HA H 0.822 13.654 -7.275 1.00 . A A . 21 PHE HA 1 1 14 4440 1 1 21 PHE HB2 H 0.006 11.374 -6.000 1.00 . A A . 21 PHE HB2 1 1 14 4441 1 1 21 PHE HB3 H -0.011 12.542 -4.683 1.00 . A A . 21 PHE HB3 1 1 14 4442 1 1 21 PHE HD1 H -0.939 12.643 -8.300 1.00 . A A . 21 PHE HD1 1 1 14 4443 1 1 21 PHE HD2 H -2.107 13.351 -4.267 1.00 . A A . 21 PHE HD2 1 1 14 4444 1 1 21 PHE HE1 H -3.113 13.489 -9.082 1.00 . A A . 21 PHE HE1 1 1 14 4445 1 1 21 PHE HE2 H -4.284 14.197 -5.044 1.00 . A A . 21 PHE HE2 1 1 14 4446 1 1 21 PHE HZ H -4.789 14.268 -7.453 1.00 . A A . 21 PHE HZ 1 1 14 4447 1 1 21 PHE N N 2.176 12.186 -6.760 1.00 . A A . 21 PHE N 1 1 14 4448 1 1 21 PHE O O 0.975 14.866 -4.726 1.00 . A A . 21 PHE O 1 1 14 4449 1 1 22 NH2 HN1 H 3.734 13.662 -5.939 1.00 . A A . 22 NH2 HN1 1 1 14 4450 1 1 22 NH2 HN2 H 3.623 14.946 -4.696 1.00 . A A . 22 NH2 HN2 1 1 14 4451 1 1 22 NH2 N N 3.212 14.286 -5.329 1.00 . A A . 22 NH2 N 1 1 14 4452 2 2 1 UNX UNK . -13.270 0.322 -12.405 1.00 . B A . 100 UNX UNK 1 1 15 4453 1 1 1 GLY C C -3.599 -16.063 0.349 1.00 . A A . 1 GLY C 1 1 15 4454 1 1 1 GLY CA C -3.352 -17.303 1.185 1.00 . A A . 1 GLY CA 1 1 15 4455 1 1 1 GLY H1 H -4.007 -16.190 2.825 1.00 . A A . 1 GLY H1 1 1 15 4456 1 1 1 GLY H2 H -4.294 -17.790 2.983 1.00 . A A . 1 GLY H2 1 1 15 4457 1 1 1 GLY H3 H -2.984 -17.163 3.265 1.00 . A A . 1 GLY H3 1 1 15 4458 1 1 1 GLY HA2 H -2.309 -17.573 1.109 1.00 . A A . 1 GLY HA2 1 1 15 4459 1 1 1 GLY HA3 H -3.952 -18.112 0.794 1.00 . A A . 1 GLY HA3 1 1 15 4460 1 1 1 GLY N N -3.685 -17.105 2.582 1.00 . A A . 1 GLY N 1 1 15 4461 1 1 1 GLY O O -2.675 -15.517 -0.257 1.00 . A A . 1 GLY O 1 1 15 4462 1 1 2 LEU C C -4.615 -13.174 0.158 1.00 . A A . 2 LEU C 1 1 15 4463 1 1 2 LEU CA C -5.218 -14.432 -0.457 1.00 . A A . 2 LEU CA 1 1 15 4464 1 1 2 LEU CB C -6.740 -14.298 -0.529 1.00 . A A . 2 LEU CB 1 1 15 4465 1 1 2 LEU CD1 C -8.266 -13.391 -2.299 1.00 . A A . 2 LEU CD1 1 1 15 4466 1 1 2 LEU CD2 C -7.914 -12.112 -0.178 1.00 . A A . 2 LEU CD2 1 1 15 4467 1 1 2 LEU CG C -7.272 -13.034 -1.205 1.00 . A A . 2 LEU CG 1 1 15 4468 1 1 2 LEU H H -5.543 -16.091 0.816 1.00 . A A . 2 LEU H 1 1 15 4469 1 1 2 LEU HA H -4.827 -14.553 -1.457 1.00 . A A . 2 LEU HA 1 1 15 4470 1 1 2 LEU HB2 H -7.121 -15.149 -1.074 1.00 . A A . 2 LEU HB2 1 1 15 4471 1 1 2 LEU HB3 H -7.121 -14.320 0.482 1.00 . A A . 2 LEU HB3 1 1 15 4472 1 1 2 LEU HD11 H -8.968 -12.581 -2.425 1.00 . A A . 2 LEU HD11 1 1 15 4473 1 1 2 LEU HD12 H -8.798 -14.290 -2.022 1.00 . A A . 2 LEU HD12 1 1 15 4474 1 1 2 LEU HD13 H -7.736 -13.557 -3.225 1.00 . A A . 2 LEU HD13 1 1 15 4475 1 1 2 LEU HD21 H -7.309 -12.092 0.716 1.00 . A A . 2 LEU HD21 1 1 15 4476 1 1 2 LEU HD22 H -8.902 -12.476 0.064 1.00 . A A . 2 LEU HD22 1 1 15 4477 1 1 2 LEU HD23 H -7.986 -11.115 -0.586 1.00 . A A . 2 LEU HD23 1 1 15 4478 1 1 2 LEU HG H -6.448 -12.504 -1.662 1.00 . A A . 2 LEU HG 1 1 15 4479 1 1 2 LEU N N -4.850 -15.615 0.312 1.00 . A A . 2 LEU N 1 1 15 4480 1 1 2 LEU O O -3.770 -12.516 -0.450 1.00 . A A . 2 LEU O 1 1 15 4481 1 1 3 PHE C C -3.033 -11.703 2.182 1.00 . A A . 3 PHE C 1 1 15 4482 1 1 3 PHE CA C -4.554 -11.665 2.068 1.00 . A A . 3 PHE CA 1 1 15 4483 1 1 3 PHE CB C -5.179 -11.569 3.460 1.00 . A A . 3 PHE CB 1 1 15 4484 1 1 3 PHE CD1 C -4.688 -9.252 4.289 1.00 . A A . 3 PHE CD1 1 1 15 4485 1 1 3 PHE CD2 C -6.938 -9.799 3.718 1.00 . A A . 3 PHE CD2 1 1 15 4486 1 1 3 PHE CE1 C -5.082 -7.972 4.629 1.00 . A A . 3 PHE CE1 1 1 15 4487 1 1 3 PHE CE2 C -7.338 -8.520 4.057 1.00 . A A . 3 PHE CE2 1 1 15 4488 1 1 3 PHE CG C -5.611 -10.179 3.830 1.00 . A A . 3 PHE CG 1 1 15 4489 1 1 3 PHE CZ C -6.409 -7.605 4.514 1.00 . A A . 3 PHE CZ 1 1 15 4490 1 1 3 PHE H H -5.726 -13.409 1.803 1.00 . A A . 3 PHE H 1 1 15 4491 1 1 3 PHE HA H -4.838 -10.797 1.494 1.00 . A A . 3 PHE HA 1 1 15 4492 1 1 3 PHE HB2 H -6.048 -12.208 3.502 1.00 . A A . 3 PHE HB2 1 1 15 4493 1 1 3 PHE HB3 H -4.459 -11.901 4.193 1.00 . A A . 3 PHE HB3 1 1 15 4494 1 1 3 PHE HD1 H -3.650 -9.538 4.380 1.00 . A A . 3 PHE HD1 1 1 15 4495 1 1 3 PHE HD2 H -7.667 -10.513 3.362 1.00 . A A . 3 PHE HD2 1 1 15 4496 1 1 3 PHE HE1 H -4.353 -7.259 4.986 1.00 . A A . 3 PHE HE1 1 1 15 4497 1 1 3 PHE HE2 H -8.376 -8.236 3.965 1.00 . A A . 3 PHE HE2 1 1 15 4498 1 1 3 PHE HZ H -6.718 -6.606 4.779 1.00 . A A . 3 PHE HZ 1 1 15 4499 1 1 3 PHE N N -5.052 -12.844 1.369 1.00 . A A . 3 PHE N 1 1 15 4500 1 1 3 PHE O O -2.378 -10.663 2.247 1.00 . A A . 3 PHE O 1 1 15 4501 1 1 4 GLY C C -0.289 -12.237 1.286 1.00 . A A . 4 GLY C 1 1 15 4502 1 1 4 GLY CA C -1.037 -13.062 2.314 1.00 . A A . 4 GLY CA 1 1 15 4503 1 1 4 GLY H H -3.049 -13.704 2.151 1.00 . A A . 4 GLY H 1 1 15 4504 1 1 4 GLY HA2 H -0.726 -12.755 3.302 1.00 . A A . 4 GLY HA2 1 1 15 4505 1 1 4 GLY HA3 H -0.786 -14.103 2.176 1.00 . A A . 4 GLY HA3 1 1 15 4506 1 1 4 GLY N N -2.476 -12.910 2.207 1.00 . A A . 4 GLY N 1 1 15 4507 1 1 4 GLY O O 0.828 -11.783 1.537 1.00 . A A . 4 GLY O 1 1 15 4508 1 1 5 VAL C C -0.793 -9.830 -0.944 1.00 . A A . 5 VAL C 1 1 15 4509 1 1 5 VAL CA C -0.289 -11.269 -0.948 1.00 . A A . 5 VAL CA 1 1 15 4510 1 1 5 VAL CB C -0.568 -11.896 -2.326 1.00 . A A . 5 VAL CB 1 1 15 4511 1 1 5 VAL CG1 C 0.053 -11.055 -3.431 1.00 . A A . 5 VAL CG1 1 1 15 4512 1 1 5 VAL CG2 C -0.047 -13.324 -2.376 1.00 . A A . 5 VAL CG2 1 1 15 4513 1 1 5 VAL H H -1.793 -12.431 -0.017 1.00 . A A . 5 VAL H 1 1 15 4514 1 1 5 VAL HA H 0.780 -11.267 -0.786 1.00 . A A . 5 VAL HA 1 1 15 4515 1 1 5 VAL HB H -1.637 -11.919 -2.479 1.00 . A A . 5 VAL HB 1 1 15 4516 1 1 5 VAL HG11 H -0.580 -10.203 -3.632 1.00 . A A . 5 VAL HG11 1 1 15 4517 1 1 5 VAL HG12 H 1.029 -10.715 -3.120 1.00 . A A . 5 VAL HG12 1 1 15 4518 1 1 5 VAL HG13 H 0.147 -11.651 -4.326 1.00 . A A . 5 VAL HG13 1 1 15 4519 1 1 5 VAL HG21 H -0.359 -13.852 -1.488 1.00 . A A . 5 VAL HG21 1 1 15 4520 1 1 5 VAL HG22 H -0.445 -13.823 -3.249 1.00 . A A . 5 VAL HG22 1 1 15 4521 1 1 5 VAL HG23 H 1.031 -13.313 -2.430 1.00 . A A . 5 VAL HG23 1 1 15 4522 1 1 5 VAL N N -0.903 -12.044 0.123 1.00 . A A . 5 VAL N 1 1 15 4523 1 1 5 VAL O O -0.129 -8.926 -1.454 1.00 . A A . 5 VAL O 1 1 15 4524 1 1 6 LEU C C -1.592 -7.294 0.322 1.00 . A A . 6 LEU C 1 1 15 4525 1 1 6 LEU CA C -2.566 -8.293 -0.295 1.00 . A A . 6 LEU CA 1 1 15 4526 1 1 6 LEU CB C -3.858 -8.334 0.522 1.00 . A A . 6 LEU CB 1 1 15 4527 1 1 6 LEU CD1 C -6.337 -8.672 0.669 1.00 . A A . 6 LEU CD1 1 1 15 4528 1 1 6 LEU CD2 C -5.357 -7.460 -1.287 1.00 . A A . 6 LEU CD2 1 1 15 4529 1 1 6 LEU CG C -5.145 -8.571 -0.269 1.00 . A A . 6 LEU CG 1 1 15 4530 1 1 6 LEU H H -2.453 -10.383 0.024 1.00 . A A . 6 LEU H 1 1 15 4531 1 1 6 LEU HA H -2.795 -7.980 -1.302 1.00 . A A . 6 LEU HA 1 1 15 4532 1 1 6 LEU HB2 H -3.766 -9.127 1.248 1.00 . A A . 6 LEU HB2 1 1 15 4533 1 1 6 LEU HB3 H -3.954 -7.388 1.036 1.00 . A A . 6 LEU HB3 1 1 15 4534 1 1 6 LEU HD11 H -6.520 -9.709 0.908 1.00 . A A . 6 LEU HD11 1 1 15 4535 1 1 6 LEU HD12 H -7.209 -8.254 0.189 1.00 . A A . 6 LEU HD12 1 1 15 4536 1 1 6 LEU HD13 H -6.129 -8.125 1.576 1.00 . A A . 6 LEU HD13 1 1 15 4537 1 1 6 LEU HD21 H -4.947 -6.538 -0.903 1.00 . A A . 6 LEU HD21 1 1 15 4538 1 1 6 LEU HD22 H -6.416 -7.334 -1.467 1.00 . A A . 6 LEU HD22 1 1 15 4539 1 1 6 LEU HD23 H -4.862 -7.719 -2.210 1.00 . A A . 6 LEU HD23 1 1 15 4540 1 1 6 LEU HG H -5.063 -9.506 -0.806 1.00 . A A . 6 LEU HG 1 1 15 4541 1 1 6 LEU N N -1.971 -9.623 -0.366 1.00 . A A . 6 LEU N 1 1 15 4542 1 1 6 LEU O O -1.649 -6.099 0.033 1.00 . A A . 6 LEU O 1 1 15 4543 1 1 7 ALA C C 1.173 -6.240 0.799 1.00 . A A . 7 ALA C 1 1 15 4544 1 1 7 ALA CA C 0.290 -6.943 1.824 1.00 . A A . 7 ALA CA 1 1 15 4545 1 1 7 ALA CB C 1.141 -7.766 2.781 1.00 . A A . 7 ALA CB 1 1 15 4546 1 1 7 ALA H H -0.704 -8.754 1.359 1.00 . A A . 7 ALA H 1 1 15 4547 1 1 7 ALA HA H -0.239 -6.198 2.401 1.00 . A A . 7 ALA HA 1 1 15 4548 1 1 7 ALA HB1 H 0.966 -8.817 2.604 1.00 . A A . 7 ALA HB1 1 1 15 4549 1 1 7 ALA HB2 H 2.184 -7.541 2.618 1.00 . A A . 7 ALA HB2 1 1 15 4550 1 1 7 ALA HB3 H 0.874 -7.522 3.798 1.00 . A A . 7 ALA HB3 1 1 15 4551 1 1 7 ALA N N -0.698 -7.792 1.170 1.00 . A A . 7 ALA N 1 1 15 4552 1 1 7 ALA O O 1.718 -5.168 1.064 1.00 . A A . 7 ALA O 1 1 15 4553 1 1 8 LYS C C 1.549 -4.957 -1.923 1.00 . A A . 8 LYS C 1 1 15 4554 1 1 8 LYS CA C 2.129 -6.282 -1.440 1.00 . A A . 8 LYS CA 1 1 15 4555 1 1 8 LYS CB C 2.231 -7.263 -2.610 1.00 . A A . 8 LYS CB 1 1 15 4556 1 1 8 LYS CD C 3.584 -7.517 -4.711 1.00 . A A . 8 LYS CD 1 1 15 4557 1 1 8 LYS CE C 3.284 -6.193 -5.396 1.00 . A A . 8 LYS CE 1 1 15 4558 1 1 8 LYS CG C 3.627 -7.365 -3.199 1.00 . A A . 8 LYS CG 1 1 15 4559 1 1 8 LYS H H 0.853 -7.703 -0.526 1.00 . A A . 8 LYS H 1 1 15 4560 1 1 8 LYS HA H 3.117 -6.105 -1.043 1.00 . A A . 8 LYS HA 1 1 15 4561 1 1 8 LYS HB2 H 1.935 -8.244 -2.268 1.00 . A A . 8 LYS HB2 1 1 15 4562 1 1 8 LYS HB3 H 1.555 -6.945 -3.391 1.00 . A A . 8 LYS HB3 1 1 15 4563 1 1 8 LYS HD2 H 4.541 -7.879 -5.055 1.00 . A A . 8 LYS HD2 1 1 15 4564 1 1 8 LYS HD3 H 2.814 -8.230 -4.970 1.00 . A A . 8 LYS HD3 1 1 15 4565 1 1 8 LYS HE2 H 2.327 -5.832 -5.051 1.00 . A A . 8 LYS HE2 1 1 15 4566 1 1 8 LYS HE3 H 4.053 -5.482 -5.130 1.00 . A A . 8 LYS HE3 1 1 15 4567 1 1 8 LYS HG2 H 4.177 -6.469 -2.954 1.00 . A A . 8 LYS HG2 1 1 15 4568 1 1 8 LYS HG3 H 4.126 -8.224 -2.774 1.00 . A A . 8 LYS HG3 1 1 15 4569 1 1 8 LYS HZ1 H 4.190 -6.167 -7.277 1.00 . A A . 8 LYS HZ1 1 1 15 4570 1 1 8 LYS HZ2 H 2.584 -5.639 -7.284 1.00 . A A . 8 LYS HZ2 1 1 15 4571 1 1 8 LYS HZ3 H 2.931 -7.288 -7.139 1.00 . A A . 8 LYS HZ3 1 1 15 4572 1 1 8 LYS N N 1.312 -6.849 -0.373 1.00 . A A . 8 LYS N 1 1 15 4573 1 1 8 LYS NZ N 3.245 -6.332 -6.878 1.00 . A A . 8 LYS NZ 1 1 15 4574 1 1 8 LYS O O 2.223 -4.184 -2.603 1.00 . A A . 8 LYS O 1 1 15 4575 1 1 9 VAL C C -1.205 -2.901 -0.814 1.00 . A A . 9 VAL C 1 1 15 4576 1 1 9 VAL CA C -0.376 -3.467 -1.961 1.00 . A A . 9 VAL CA 1 1 15 4577 1 1 9 VAL CB C -1.290 -3.691 -3.181 1.00 . A A . 9 VAL CB 1 1 15 4578 1 1 9 VAL CG1 C -2.434 -4.628 -2.825 1.00 . A A . 9 VAL CG1 1 1 15 4579 1 1 9 VAL CG2 C -1.821 -2.363 -3.699 1.00 . A A . 9 VAL CG2 1 1 15 4580 1 1 9 VAL H H -0.192 -5.356 -1.023 1.00 . A A . 9 VAL H 1 1 15 4581 1 1 9 VAL HA H 0.383 -2.748 -2.233 1.00 . A A . 9 VAL HA 1 1 15 4582 1 1 9 VAL HB H -0.706 -4.152 -3.963 1.00 . A A . 9 VAL HB 1 1 15 4583 1 1 9 VAL HG11 H -2.375 -4.886 -1.777 1.00 . A A . 9 VAL HG11 1 1 15 4584 1 1 9 VAL HG12 H -3.376 -4.140 -3.024 1.00 . A A . 9 VAL HG12 1 1 15 4585 1 1 9 VAL HG13 H -2.361 -5.527 -3.420 1.00 . A A . 9 VAL HG13 1 1 15 4586 1 1 9 VAL HG21 H -1.999 -2.437 -4.761 1.00 . A A . 9 VAL HG21 1 1 15 4587 1 1 9 VAL HG22 H -2.746 -2.122 -3.195 1.00 . A A . 9 VAL HG22 1 1 15 4588 1 1 9 VAL HG23 H -1.095 -1.585 -3.508 1.00 . A A . 9 VAL HG23 1 1 15 4589 1 1 9 VAL N N 0.295 -4.700 -1.566 1.00 . A A . 9 VAL N 1 1 15 4590 1 1 9 VAL O O -2.377 -2.570 -0.987 1.00 . A A . 9 VAL O 1 1 15 4591 1 1 10 ALA C C -0.288 -2.036 2.679 1.00 . A A . 10 ALA C 1 1 15 4592 1 1 10 ALA CA C -1.268 -2.262 1.533 1.00 . A A . 10 ALA CA 1 1 15 4593 1 1 10 ALA CB C -2.383 -3.203 1.966 1.00 . A A . 10 ALA CB 1 1 15 4594 1 1 10 ALA H H 0.348 -3.071 0.433 1.00 . A A . 10 ALA H 1 1 15 4595 1 1 10 ALA HA H -1.714 -1.316 1.263 1.00 . A A . 10 ALA HA 1 1 15 4596 1 1 10 ALA HB1 H -2.169 -3.580 2.955 1.00 . A A . 10 ALA HB1 1 1 15 4597 1 1 10 ALA HB2 H -3.320 -2.669 1.978 1.00 . A A . 10 ALA HB2 1 1 15 4598 1 1 10 ALA HB3 H -2.446 -4.028 1.272 1.00 . A A . 10 ALA HB3 1 1 15 4599 1 1 10 ALA N N -0.587 -2.791 0.357 1.00 . A A . 10 ALA N 1 1 15 4600 1 1 10 ALA O O 0.055 -2.995 3.343 1.00 . A A . 10 ALA O 1 1 15 4601 1 1 11 . C C 2.400 0.539 3.293 1.00 . A A . 11 I4G C 1 1 15 4602 1 1 11 . CA C 1.228 -0.214 3.871 1.00 . A A . 11 I4G CA 1 1 15 4603 1 1 11 . CB C -0.267 0.532 2.052 1.00 . A A . 11 I4G CB 1 1 15 4604 1 1 11 . CD1 C -2.423 0.226 3.397 1.00 . A A . 11 I4G CD1 1 1 15 4605 1 1 11 . CD2 C -1.071 2.347 3.620 1.00 . A A . 11 I4G CD2 1 1 15 4606 1 1 11 . CG C -1.514 1.232 2.652 1.00 . A A . 11 I4G CG 1 1 15 4607 1 1 11 . HA2 H 1.564 -1.058 4.288 1.00 . A A . 11 I4G HA2 1 1 15 4608 1 1 11 . HA3 H 0.796 0.355 4.571 1.00 . A A . 11 I4G HA3 1 1 15 4609 1 1 11 . HB2 H -0.483 0.163 1.148 1.00 . A A . 11 I4G HB2 1 1 15 4610 1 1 11 . HB3 H 0.488 1.183 1.975 1.00 . A A . 11 I4G HB3 1 1 15 4611 1 1 11 . HD11 H -3.279 0.738 3.840 1.00 . A A . 11 I4G HD11 1 1 15 4612 1 1 11 . HD12 H -2.797 -0.536 2.714 1.00 . A A . 11 I4G HD12 1 1 15 4613 1 1 11 . HD13 H -1.866 -0.273 4.195 1.00 . A A . 11 I4G HD13 1 1 15 4614 1 1 11 . HD21 H -1.939 2.866 4.033 1.00 . A A . 11 I4G HD21 1 1 15 4615 1 1 11 . HD22 H -0.490 1.933 4.447 1.00 . A A . 11 I4G HD22 1 1 15 4616 1 1 11 . HD23 H -0.451 3.082 3.100 1.00 . A A . 11 I4G HD23 1 1 15 4617 1 1 11 . HG H -2.091 1.693 1.846 1.00 . A A . 11 I4G HG 1 1 15 4618 1 1 11 . N N 0.187 -0.584 2.894 1.00 . A A . 11 I4G N 1 1 15 4619 1 1 11 . O O 2.963 1.447 3.906 1.00 . A A . 11 I4G O 1 1 15 4620 1 1 12 HIS C C 3.340 1.500 0.086 1.00 . A A . 12 HIS C 1 1 15 4621 1 1 12 HIS CA C 3.847 0.821 1.355 1.00 . A A . 12 HIS CA 1 1 15 4622 1 1 12 HIS CB C 4.933 -0.196 1.004 1.00 . A A . 12 HIS CB 1 1 15 4623 1 1 12 HIS CD2 C 3.418 -1.894 -0.240 1.00 . A A . 12 HIS CD2 1 1 15 4624 1 1 12 HIS CE1 C 4.206 -3.737 0.649 1.00 . A A . 12 HIS CE1 1 1 15 4625 1 1 12 HIS CG C 4.395 -1.542 0.629 1.00 . A A . 12 HIS CG 1 1 15 4626 1 1 12 HIS H H 2.266 -0.561 1.630 1.00 . A A . 12 HIS H 1 1 15 4627 1 1 12 HIS HA H 4.265 1.572 2.007 1.00 . A A . 12 HIS HA 1 1 15 4628 1 1 12 HIS HB2 H 5.508 0.176 0.169 1.00 . A A . 12 HIS HB2 1 1 15 4629 1 1 12 HIS HB3 H 5.586 -0.324 1.856 1.00 . A A . 12 HIS HB3 1 1 15 4630 1 1 12 HIS HD1 H 5.583 -2.797 1.834 1.00 . A A . 12 HIS HD1 1 1 15 4631 1 1 12 HIS HD2 H 2.826 -1.223 -0.846 1.00 . A A . 12 HIS HD2 1 1 15 4632 1 1 12 HIS HE1 H 4.360 -4.779 0.887 1.00 . A A . 12 HIS HE1 1 1 15 4633 1 1 12 HIS N N 2.754 0.168 2.067 1.00 . A A . 12 HIS N 1 1 15 4634 1 1 12 HIS ND1 N 4.868 -2.719 1.170 1.00 . A A . 12 HIS ND1 1 1 15 4635 1 1 12 HIS NE2 N 3.320 -3.263 -0.208 1.00 . A A . 12 HIS NE2 1 1 15 4636 1 1 12 HIS O O 4.069 2.251 -0.562 1.00 . A A . 12 HIS O 1 1 15 4637 1 1 13 VAL C C 1.521 3.339 -1.399 1.00 . A A . 13 VAL C 1 1 15 4638 1 1 13 VAL CA C 1.482 1.817 -1.454 1.00 . A A . 13 VAL CA 1 1 15 4639 1 1 13 VAL CB C 0.021 1.357 -1.625 1.00 . A A . 13 VAL CB 1 1 15 4640 1 1 13 VAL CG1 C -0.571 1.930 -2.904 1.00 . A A . 13 VAL CG1 1 1 15 4641 1 1 13 VAL CG2 C -0.064 -0.161 -1.620 1.00 . A A . 13 VAL CG2 1 1 15 4642 1 1 13 VAL H H 1.554 0.625 0.294 1.00 . A A . 13 VAL H 1 1 15 4643 1 1 13 VAL HA H 2.044 1.482 -2.313 1.00 . A A . 13 VAL HA 1 1 15 4644 1 1 13 VAL HB H -0.552 1.732 -0.791 1.00 . A A . 13 VAL HB 1 1 15 4645 1 1 13 VAL HG11 H 0.137 2.607 -3.357 1.00 . A A . 13 VAL HG11 1 1 15 4646 1 1 13 VAL HG12 H -0.791 1.124 -3.591 1.00 . A A . 13 VAL HG12 1 1 15 4647 1 1 13 VAL HG13 H -1.481 2.463 -2.672 1.00 . A A . 13 VAL HG13 1 1 15 4648 1 1 13 VAL HG21 H 0.521 -0.556 -2.438 1.00 . A A . 13 VAL HG21 1 1 15 4649 1 1 13 VAL HG22 H 0.322 -0.541 -0.685 1.00 . A A . 13 VAL HG22 1 1 15 4650 1 1 13 VAL HG23 H -1.094 -0.465 -1.734 1.00 . A A . 13 VAL HG23 1 1 15 4651 1 1 13 VAL N N 2.085 1.231 -0.263 1.00 . A A . 13 VAL N 1 1 15 4652 1 1 13 VAL O O 1.967 3.994 -2.341 1.00 . A A . 13 VAL O 1 1 15 4653 1 1 14 VAL C C 2.408 5.948 -0.382 1.00 . A A . 14 VAL C 1 1 15 4654 1 1 14 VAL CA C 1.036 5.345 -0.107 1.00 . A A . 14 VAL CA 1 1 15 4655 1 1 14 VAL CB C 0.596 5.728 1.319 1.00 . A A . 14 VAL CB 1 1 15 4656 1 1 14 VAL CG1 C 0.634 7.237 1.501 1.00 . A A . 14 VAL CG1 1 1 15 4657 1 1 14 VAL CG2 C -0.793 5.182 1.612 1.00 . A A . 14 VAL CG2 1 1 15 4658 1 1 14 VAL H H 0.712 3.324 0.430 1.00 . A A . 14 VAL H 1 1 15 4659 1 1 14 VAL HA H 0.325 5.760 -0.805 1.00 . A A . 14 VAL HA 1 1 15 4660 1 1 14 VAL HB H 1.289 5.285 2.019 1.00 . A A . 14 VAL HB 1 1 15 4661 1 1 14 VAL HG11 H 0.174 7.715 0.649 1.00 . A A . 14 VAL HG11 1 1 15 4662 1 1 14 VAL HG12 H 0.096 7.505 2.399 1.00 . A A . 14 VAL HG12 1 1 15 4663 1 1 14 VAL HG13 H 1.660 7.564 1.586 1.00 . A A . 14 VAL HG13 1 1 15 4664 1 1 14 VAL HG21 H -0.956 5.168 2.678 1.00 . A A . 14 VAL HG21 1 1 15 4665 1 1 14 VAL HG22 H -1.535 5.813 1.143 1.00 . A A . 14 VAL HG22 1 1 15 4666 1 1 14 VAL HG23 H -0.876 4.178 1.221 1.00 . A A . 14 VAL HG23 1 1 15 4667 1 1 14 VAL N N 1.053 3.898 -0.286 1.00 . A A . 14 VAL N 1 1 15 4668 1 1 14 VAL O O 2.518 7.039 -0.943 1.00 . A A . 14 VAL O 1 1 15 4669 1 1 15 GLY C C 5.126 5.918 -1.666 1.00 . A A . 15 GLY C 1 1 15 4670 1 1 15 GLY CA C 4.809 5.713 -0.198 1.00 . A A . 15 GLY CA 1 1 15 4671 1 1 15 GLY H H 3.308 4.369 0.457 1.00 . A A . 15 GLY H 1 1 15 4672 1 1 15 GLY HA2 H 4.931 6.652 0.322 1.00 . A A . 15 GLY HA2 1 1 15 4673 1 1 15 GLY HA3 H 5.503 4.994 0.211 1.00 . A A . 15 GLY HA3 1 1 15 4674 1 1 15 GLY N N 3.456 5.232 0.015 1.00 . A A . 15 GLY N 1 1 15 4675 1 1 15 GLY O O 5.985 6.727 -2.015 1.00 . A A . 15 GLY O 1 1 15 4676 1 1 16 ALA C C 3.654 6.257 -4.598 1.00 . A A . 16 ALA C 1 1 15 4677 1 1 16 ALA CA C 4.646 5.287 -3.967 1.00 . A A . 16 ALA CA 1 1 15 4678 1 1 16 ALA CB C 4.535 3.916 -4.618 1.00 . A A . 16 ALA CB 1 1 15 4679 1 1 16 ALA H H 3.762 4.553 -2.189 1.00 . A A . 16 ALA H 1 1 15 4680 1 1 16 ALA HA H 5.649 5.656 -4.129 1.00 . A A . 16 ALA HA 1 1 15 4681 1 1 16 ALA HB1 H 3.664 3.892 -5.256 1.00 . A A . 16 ALA HB1 1 1 15 4682 1 1 16 ALA HB2 H 5.420 3.726 -5.208 1.00 . A A . 16 ALA HB2 1 1 15 4683 1 1 16 ALA HB3 H 4.443 3.161 -3.852 1.00 . A A . 16 ALA HB3 1 1 15 4684 1 1 16 ALA N N 4.433 5.181 -2.527 1.00 . A A . 16 ALA N 1 1 15 4685 1 1 16 ALA O O 4.040 7.146 -5.358 1.00 . A A . 16 ALA O 1 1 15 4686 1 1 17 ILE C C 1.606 8.407 -4.499 1.00 . A A . 17 ILE C 1 1 15 4687 1 1 17 ILE CA C 1.329 6.941 -4.818 1.00 . A A . 17 ILE CA 1 1 15 4688 1 1 17 ILE CB C -0.055 6.559 -4.261 1.00 . A A . 17 ILE CB 1 1 15 4689 1 1 17 ILE CD1 C -1.736 4.654 -4.100 1.00 . A A . 17 ILE CD1 1 1 15 4690 1 1 17 ILE CG1 C -0.385 5.107 -4.611 1.00 . A A . 17 ILE CG1 1 1 15 4691 1 1 17 ILE CG2 C -1.122 7.496 -4.805 1.00 . A A . 17 ILE CG2 1 1 15 4692 1 1 17 ILE H H 2.131 5.355 -3.669 1.00 . A A . 17 ILE H 1 1 15 4693 1 1 17 ILE HA H 1.311 6.814 -5.890 1.00 . A A . 17 ILE HA 1 1 15 4694 1 1 17 ILE HB H -0.029 6.666 -3.188 1.00 . A A . 17 ILE HB 1 1 15 4695 1 1 17 ILE HD11 H -2.510 5.265 -4.540 1.00 . A A . 17 ILE HD11 1 1 15 4696 1 1 17 ILE HD12 H -1.896 3.621 -4.368 1.00 . A A . 17 ILE HD12 1 1 15 4697 1 1 17 ILE HD13 H -1.766 4.755 -3.025 1.00 . A A . 17 ILE HD13 1 1 15 4698 1 1 17 ILE HG12 H -0.381 4.991 -5.683 1.00 . A A . 17 ILE HG12 1 1 15 4699 1 1 17 ILE HG13 H 0.367 4.460 -4.180 1.00 . A A . 17 ILE HG13 1 1 15 4700 1 1 17 ILE HG21 H -0.894 8.511 -4.513 1.00 . A A . 17 ILE HG21 1 1 15 4701 1 1 17 ILE HG22 H -1.143 7.430 -5.883 1.00 . A A . 17 ILE HG22 1 1 15 4702 1 1 17 ILE HG23 H -2.085 7.216 -4.408 1.00 . A A . 17 ILE HG23 1 1 15 4703 1 1 17 ILE N N 2.376 6.081 -4.280 1.00 . A A . 17 ILE N 1 1 15 4704 1 1 17 ILE O O 1.316 9.292 -5.302 1.00 . A A . 17 ILE O 1 1 15 4705 1 1 18 ALA C C 3.699 10.552 -3.651 1.00 . A A . 18 ALA C 1 1 15 4706 1 1 18 ALA CA C 2.488 10.012 -2.897 1.00 . A A . 18 ALA CA 1 1 15 4707 1 1 18 ALA CB C 2.737 10.052 -1.397 1.00 . A A . 18 ALA CB 1 1 15 4708 1 1 18 ALA H H 2.377 7.906 -2.723 1.00 . A A . 18 ALA H 1 1 15 4709 1 1 18 ALA HA H 1.635 10.638 -3.112 1.00 . A A . 18 ALA HA 1 1 15 4710 1 1 18 ALA HB1 H 3.728 9.675 -1.187 1.00 . A A . 18 ALA HB1 1 1 15 4711 1 1 18 ALA HB2 H 2.658 11.070 -1.046 1.00 . A A . 18 ALA HB2 1 1 15 4712 1 1 18 ALA HB3 H 2.004 9.439 -0.894 1.00 . A A . 18 ALA HB3 1 1 15 4713 1 1 18 ALA N N 2.169 8.655 -3.321 1.00 . A A . 18 ALA N 1 1 15 4714 1 1 18 ALA O O 3.983 11.748 -3.612 1.00 . A A . 18 ALA O 1 1 15 4715 1 1 19 GLU C C 5.198 10.782 -6.376 1.00 . A A . 19 GLU C 1 1 15 4716 1 1 19 GLU CA C 5.591 10.049 -5.096 1.00 . A A . 19 GLU CA 1 1 15 4717 1 1 19 GLU CB C 6.432 8.818 -5.439 1.00 . A A . 19 GLU CB 1 1 15 4718 1 1 19 GLU CD C 8.613 9.411 -4.310 1.00 . A A . 19 GLU CD 1 1 15 4719 1 1 19 GLU CG C 7.910 9.121 -5.621 1.00 . A A . 19 GLU CG 1 1 15 4720 1 1 19 GLU H H 4.134 8.721 -4.327 1.00 . A A . 19 GLU H 1 1 15 4721 1 1 19 GLU HA H 6.178 10.714 -4.482 1.00 . A A . 19 GLU HA 1 1 15 4722 1 1 19 GLU HB2 H 6.330 8.093 -4.644 1.00 . A A . 19 GLU HB2 1 1 15 4723 1 1 19 GLU HB3 H 6.059 8.387 -6.357 1.00 . A A . 19 GLU HB3 1 1 15 4724 1 1 19 GLU HG2 H 8.385 8.270 -6.085 1.00 . A A . 19 GLU HG2 1 1 15 4725 1 1 19 GLU HG3 H 8.011 9.983 -6.265 1.00 . A A . 19 GLU HG3 1 1 15 4726 1 1 19 GLU N N 4.410 9.661 -4.336 1.00 . A A . 19 GLU N 1 1 15 4727 1 1 19 GLU O O 5.710 11.863 -6.668 1.00 . A A . 19 GLU O 1 1 15 4728 1 1 19 GLU OE1 O 8.071 9.030 -3.250 1.00 . A A . 19 GLU OE1 1 1 15 4729 1 1 19 GLU OE2 O 9.702 10.020 -4.341 1.00 . A A . 19 GLU OE2 1 1 15 4730 1 1 20 HIS C C 2.823 11.902 -8.114 1.00 . A A . 20 HIS C 1 1 15 4731 1 1 20 HIS CA C 3.823 10.781 -8.385 1.00 . A A . 20 HIS CA 1 1 15 4732 1 1 20 HIS CB C 3.183 9.715 -9.276 1.00 . A A . 20 HIS CB 1 1 15 4733 1 1 20 HIS CD2 C 1.083 8.724 -8.120 1.00 . A A . 20 HIS CD2 1 1 15 4734 1 1 20 HIS CE1 C -0.449 9.792 -9.268 1.00 . A A . 20 HIS CE1 1 1 15 4735 1 1 20 HIS CG C 1.722 9.514 -9.014 1.00 . A A . 20 HIS CG 1 1 15 4736 1 1 20 HIS H H 3.914 9.325 -6.850 1.00 . A A . 20 HIS H 1 1 15 4737 1 1 20 HIS HA H 4.680 11.195 -8.892 1.00 . A A . 20 HIS HA 1 1 15 4738 1 1 20 HIS HB2 H 3.297 10.004 -10.309 1.00 . A A . 20 HIS HB2 1 1 15 4739 1 1 20 HIS HB3 H 3.684 8.772 -9.113 1.00 . A A . 20 HIS HB3 1 1 15 4740 1 1 20 HIS HD1 H 0.879 10.816 -10.439 1.00 . A A . 20 HIS HD1 1 1 15 4741 1 1 20 HIS HD2 H 1.548 8.064 -7.400 1.00 . A A . 20 HIS HD2 1 1 15 4742 1 1 20 HIS HE1 H -1.404 10.141 -9.630 1.00 . A A . 20 HIS HE1 1 1 15 4743 1 1 20 HIS N N 4.285 10.186 -7.136 1.00 . A A . 20 HIS N 1 1 15 4744 1 1 20 HIS ND1 N 0.734 10.170 -9.718 1.00 . A A . 20 HIS ND1 1 1 15 4745 1 1 20 HIS NE2 N -0.265 8.914 -8.298 1.00 . A A . 20 HIS NE2 1 1 15 4746 1 1 20 HIS O O 2.643 12.798 -8.938 1.00 . A A . 20 HIS O 1 1 15 4747 1 1 21 PHE C C 1.635 13.598 -5.322 1.00 . A A . 21 PHE C 1 1 15 4748 1 1 21 PHE CA C 1.194 12.853 -6.577 1.00 . A A . 21 PHE CA 1 1 15 4749 1 1 21 PHE CB C -0.172 12.203 -6.344 1.00 . A A . 21 PHE CB 1 1 15 4750 1 1 21 PHE CD1 C -1.400 14.351 -6.767 1.00 . A A . 21 PHE CD1 1 1 15 4751 1 1 21 PHE CD2 C -2.301 12.334 -7.667 1.00 . A A . 21 PHE CD2 1 1 15 4752 1 1 21 PHE CE1 C -2.449 15.066 -7.312 1.00 . A A . 21 PHE CE1 1 1 15 4753 1 1 21 PHE CE2 C -3.352 13.044 -8.215 1.00 . A A . 21 PHE CE2 1 1 15 4754 1 1 21 PHE CG C -1.313 12.978 -6.938 1.00 . A A . 21 PHE CG 1 1 15 4755 1 1 21 PHE CZ C -3.427 14.412 -8.037 1.00 . A A . 21 PHE CZ 1 1 15 4756 1 1 21 PHE H H 2.363 11.104 -6.340 1.00 . A A . 21 PHE H 1 1 15 4757 1 1 21 PHE HA H 1.113 13.557 -7.390 1.00 . A A . 21 PHE HA 1 1 15 4758 1 1 21 PHE HB2 H -0.175 11.218 -6.787 1.00 . A A . 21 PHE HB2 1 1 15 4759 1 1 21 PHE HB3 H -0.345 12.118 -5.282 1.00 . A A . 21 PHE HB3 1 1 15 4760 1 1 21 PHE HD1 H -0.636 14.863 -6.201 1.00 . A A . 21 PHE HD1 1 1 15 4761 1 1 21 PHE HD2 H -2.243 11.264 -7.807 1.00 . A A . 21 PHE HD2 1 1 15 4762 1 1 21 PHE HE1 H -2.505 16.135 -7.172 1.00 . A A . 21 PHE HE1 1 1 15 4763 1 1 21 PHE HE2 H -4.114 12.531 -8.782 1.00 . A A . 21 PHE HE2 1 1 15 4764 1 1 21 PHE HZ H -4.248 14.969 -8.464 1.00 . A A . 21 PHE HZ 1 1 15 4765 1 1 21 PHE N N 2.176 11.844 -6.955 1.00 . A A . 21 PHE N 1 1 15 4766 1 1 21 PHE O O 0.845 13.948 -4.478 1.00 . A A . 21 PHE O 1 1 15 4767 1 1 22 NH2 HN1 H 3.704 13.540 -5.960 1.00 . A A . 22 NH2 HN1 1 1 15 4768 1 1 22 NH2 HN2 H 3.461 14.358 -4.385 1.00 . A A . 22 NH2 HN2 1 1 15 4769 1 1 22 NH2 N N 3.122 13.875 -5.196 1.00 . A A . 22 NH2 N 1 1 15 4770 2 2 1 UNX UNK . -13.753 0.804 -11.900 1.00 . B A . 100 UNX UNK 1 1 16 4771 1 1 1 GLY C C -3.652 -15.914 0.702 1.00 . A A . 1 GLY C 1 1 16 4772 1 1 1 GLY CA C -3.410 -17.128 1.575 1.00 . A A . 1 GLY CA 1 1 16 4773 1 1 1 GLY H1 H -5.280 -17.828 0.960 1.00 . A A . 1 GLY H1 1 1 16 4774 1 1 1 GLY H2 H -4.163 -19.013 1.080 1.00 . A A . 1 GLY H2 1 1 16 4775 1 1 1 GLY H3 H -4.907 -18.471 2.239 1.00 . A A . 1 GLY H3 1 1 16 4776 1 1 1 GLY HA2 H -3.358 -16.814 2.606 1.00 . A A . 1 GLY HA2 1 1 16 4777 1 1 1 GLY HA3 H -2.466 -17.575 1.297 1.00 . A A . 1 GLY HA3 1 1 16 4778 1 1 1 GLY N N -4.455 -18.127 1.439 1.00 . A A . 1 GLY N 1 1 16 4779 1 1 1 GLY O O -2.716 -15.354 0.130 1.00 . A A . 1 GLY O 1 1 16 4780 1 1 2 LEU C C -4.663 -13.071 0.352 1.00 . A A . 2 LEU C 1 1 16 4781 1 1 2 LEU CA C -5.275 -14.348 -0.216 1.00 . A A . 2 LEU CA 1 1 16 4782 1 1 2 LEU CB C -6.797 -14.209 -0.289 1.00 . A A . 2 LEU CB 1 1 16 4783 1 1 2 LEU CD1 C -6.859 -12.101 -1.643 1.00 . A A . 2 LEU CD1 1 1 16 4784 1 1 2 LEU CD2 C -6.957 -14.324 -2.787 1.00 . A A . 2 LEU CD2 1 1 16 4785 1 1 2 LEU CG C -7.350 -13.537 -1.545 1.00 . A A . 2 LEU CG 1 1 16 4786 1 1 2 LEU H H -5.615 -15.991 1.074 1.00 . A A . 2 LEU H 1 1 16 4787 1 1 2 LEU HA H -4.888 -14.507 -1.211 1.00 . A A . 2 LEU HA 1 1 16 4788 1 1 2 LEU HB2 H -7.222 -15.199 -0.228 1.00 . A A . 2 LEU HB2 1 1 16 4789 1 1 2 LEU HB3 H -7.116 -13.630 0.566 1.00 . A A . 2 LEU HB3 1 1 16 4790 1 1 2 LEU HD11 H -5.789 -12.096 -1.787 1.00 . A A . 2 LEU HD11 1 1 16 4791 1 1 2 LEU HD12 H -7.103 -11.574 -0.732 1.00 . A A . 2 LEU HD12 1 1 16 4792 1 1 2 LEU HD13 H -7.337 -11.614 -2.480 1.00 . A A . 2 LEU HD13 1 1 16 4793 1 1 2 LEU HD21 H -7.515 -13.957 -3.637 1.00 . A A . 2 LEU HD21 1 1 16 4794 1 1 2 LEU HD22 H -7.177 -15.371 -2.636 1.00 . A A . 2 LEU HD22 1 1 16 4795 1 1 2 LEU HD23 H -5.900 -14.201 -2.971 1.00 . A A . 2 LEU HD23 1 1 16 4796 1 1 2 LEU HG H -8.430 -13.517 -1.490 1.00 . A A . 2 LEU HG 1 1 16 4797 1 1 2 LEU N N -4.911 -15.505 0.596 1.00 . A A . 2 LEU N 1 1 16 4798 1 1 2 LEU O O -3.836 -12.426 -0.294 1.00 . A A . 2 LEU O 1 1 16 4799 1 1 3 PHE C C -3.045 -11.563 2.342 1.00 . A A . 3 PHE C 1 1 16 4800 1 1 3 PHE CA C -4.565 -11.513 2.218 1.00 . A A . 3 PHE CA 1 1 16 4801 1 1 3 PHE CB C -5.195 -11.356 3.604 1.00 . A A . 3 PHE CB 1 1 16 4802 1 1 3 PHE CD1 C -5.018 -8.954 4.308 1.00 . A A . 3 PHE CD1 1 1 16 4803 1 1 3 PHE CD2 C -7.141 -9.771 3.591 1.00 . A A . 3 PHE CD2 1 1 16 4804 1 1 3 PHE CE1 C -5.568 -7.705 4.525 1.00 . A A . 3 PHE CE1 1 1 16 4805 1 1 3 PHE CE2 C -7.696 -8.524 3.805 1.00 . A A . 3 PHE CE2 1 1 16 4806 1 1 3 PHE CG C -5.796 -10.000 3.838 1.00 . A A . 3 PHE CG 1 1 16 4807 1 1 3 PHE CZ C -6.909 -7.490 4.274 1.00 . A A . 3 PHE CZ 1 1 16 4808 1 1 3 PHE H H -5.735 -13.267 2.028 1.00 . A A . 3 PHE H 1 1 16 4809 1 1 3 PHE HA H -4.836 -10.664 1.611 1.00 . A A . 3 PHE HA 1 1 16 4810 1 1 3 PHE HB2 H -5.978 -12.090 3.720 1.00 . A A . 3 PHE HB2 1 1 16 4811 1 1 3 PHE HB3 H -4.439 -11.520 4.356 1.00 . A A . 3 PHE HB3 1 1 16 4812 1 1 3 PHE HD1 H -3.969 -9.121 4.505 1.00 . A A . 3 PHE HD1 1 1 16 4813 1 1 3 PHE HD2 H -7.757 -10.579 3.225 1.00 . A A . 3 PHE HD2 1 1 16 4814 1 1 3 PHE HE1 H -4.951 -6.899 4.891 1.00 . A A . 3 PHE HE1 1 1 16 4815 1 1 3 PHE HE2 H -8.745 -8.358 3.608 1.00 . A A . 3 PHE HE2 1 1 16 4816 1 1 3 PHE HZ H -7.342 -6.515 4.441 1.00 . A A . 3 PHE HZ 1 1 16 4817 1 1 3 PHE N N -5.073 -12.712 1.563 1.00 . A A . 3 PHE N 1 1 16 4818 1 1 3 PHE O O -2.378 -10.530 2.369 1.00 . A A . 3 PHE O 1 1 16 4819 1 1 4 GLY C C -0.303 -12.166 1.482 1.00 . A A . 4 GLY C 1 1 16 4820 1 1 4 GLY CA C -1.067 -12.940 2.539 1.00 . A A . 4 GLY CA 1 1 16 4821 1 1 4 GLY H H -3.084 -13.565 2.392 1.00 . A A . 4 GLY H 1 1 16 4822 1 1 4 GLY HA2 H -0.756 -12.598 3.514 1.00 . A A . 4 GLY HA2 1 1 16 4823 1 1 4 GLY HA3 H -0.826 -13.989 2.444 1.00 . A A . 4 GLY HA3 1 1 16 4824 1 1 4 GLY N N -2.503 -12.776 2.418 1.00 . A A . 4 GLY N 1 1 16 4825 1 1 4 GLY O O 0.816 -11.713 1.721 1.00 . A A . 4 GLY O 1 1 16 4826 1 1 5 VAL C C -0.769 -9.849 -0.850 1.00 . A A . 5 VAL C 1 1 16 4827 1 1 5 VAL CA C -0.279 -11.292 -0.790 1.00 . A A . 5 VAL CA 1 1 16 4828 1 1 5 VAL CB C -0.556 -11.974 -2.143 1.00 . A A . 5 VAL CB 1 1 16 4829 1 1 5 VAL CG1 C 0.079 -11.185 -3.277 1.00 . A A . 5 VAL CG1 1 1 16 4830 1 1 5 VAL CG2 C -0.049 -13.408 -2.131 1.00 . A A . 5 VAL CG2 1 1 16 4831 1 1 5 VAL H H -1.801 -12.400 0.178 1.00 . A A . 5 VAL H 1 1 16 4832 1 1 5 VAL HA H 0.788 -11.293 -0.622 1.00 . A A . 5 VAL HA 1 1 16 4833 1 1 5 VAL HB H -1.624 -11.993 -2.302 1.00 . A A . 5 VAL HB 1 1 16 4834 1 1 5 VAL HG11 H 1.072 -10.875 -2.988 1.00 . A A . 5 VAL HG11 1 1 16 4835 1 1 5 VAL HG12 H 0.137 -11.805 -4.160 1.00 . A A . 5 VAL HG12 1 1 16 4836 1 1 5 VAL HG13 H -0.522 -10.312 -3.490 1.00 . A A . 5 VAL HG13 1 1 16 4837 1 1 5 VAL HG21 H -0.858 -14.073 -1.868 1.00 . A A . 5 VAL HG21 1 1 16 4838 1 1 5 VAL HG22 H 0.326 -13.667 -3.111 1.00 . A A . 5 VAL HG22 1 1 16 4839 1 1 5 VAL HG23 H 0.745 -13.502 -1.405 1.00 . A A . 5 VAL HG23 1 1 16 4840 1 1 5 VAL N N -0.909 -12.015 0.308 1.00 . A A . 5 VAL N 1 1 16 4841 1 1 5 VAL O O -0.094 -8.975 -1.396 1.00 . A A . 5 VAL O 1 1 16 4842 1 1 6 LEU C C -1.548 -7.254 0.305 1.00 . A A . 6 LEU C 1 1 16 4843 1 1 6 LEU CA C -2.528 -8.269 -0.274 1.00 . A A . 6 LEU CA 1 1 16 4844 1 1 6 LEU CB C -3.825 -8.263 0.538 1.00 . A A . 6 LEU CB 1 1 16 4845 1 1 6 LEU CD1 C -6.294 -8.667 0.698 1.00 . A A . 6 LEU CD1 1 1 16 4846 1 1 6 LEU CD2 C -5.357 -7.423 -1.260 1.00 . A A . 6 LEU CD2 1 1 16 4847 1 1 6 LEU CG C -5.109 -8.531 -0.247 1.00 . A A . 6 LEU CG 1 1 16 4848 1 1 6 LEU H H -2.438 -10.344 0.134 1.00 . A A . 6 LEU H 1 1 16 4849 1 1 6 LEU HA H -2.750 -7.996 -1.294 1.00 . A A . 6 LEU HA 1 1 16 4850 1 1 6 LEU HB2 H -3.741 -9.020 1.303 1.00 . A A . 6 LEU HB2 1 1 16 4851 1 1 6 LEU HB3 H -3.918 -7.292 1.004 1.00 . A A . 6 LEU HB3 1 1 16 4852 1 1 6 LEU HD11 H -7.118 -8.075 0.328 1.00 . A A . 6 LEU HD11 1 1 16 4853 1 1 6 LEU HD12 H -6.012 -8.319 1.680 1.00 . A A . 6 LEU HD12 1 1 16 4854 1 1 6 LEU HD13 H -6.592 -9.703 0.755 1.00 . A A . 6 LEU HD13 1 1 16 4855 1 1 6 LEU HD21 H -5.332 -6.466 -0.759 1.00 . A A . 6 LEU HD21 1 1 16 4856 1 1 6 LEU HD22 H -6.325 -7.564 -1.719 1.00 . A A . 6 LEU HD22 1 1 16 4857 1 1 6 LEU HD23 H -4.590 -7.452 -2.020 1.00 . A A . 6 LEU HD23 1 1 16 4858 1 1 6 LEU HG H -5.006 -9.462 -0.788 1.00 . A A . 6 LEU HG 1 1 16 4859 1 1 6 LEU N N -1.947 -9.607 -0.285 1.00 . A A . 6 LEU N 1 1 16 4860 1 1 6 LEU O O -1.593 -6.071 -0.031 1.00 . A A . 6 LEU O 1 1 16 4861 1 1 7 ALA C C 1.210 -6.188 0.748 1.00 . A A . 7 ALA C 1 1 16 4862 1 1 7 ALA CA C 0.333 -6.860 1.799 1.00 . A A . 7 ALA CA 1 1 16 4863 1 1 7 ALA CB C 1.188 -7.655 2.774 1.00 . A A . 7 ALA CB 1 1 16 4864 1 1 7 ALA H H -0.676 -8.679 1.405 1.00 . A A . 7 ALA H 1 1 16 4865 1 1 7 ALA HA H -0.191 -6.098 2.357 1.00 . A A . 7 ALA HA 1 1 16 4866 1 1 7 ALA HB1 H 0.549 -8.245 3.415 1.00 . A A . 7 ALA HB1 1 1 16 4867 1 1 7 ALA HB2 H 1.847 -8.309 2.222 1.00 . A A . 7 ALA HB2 1 1 16 4868 1 1 7 ALA HB3 H 1.775 -6.976 3.374 1.00 . A A . 7 ALA HB3 1 1 16 4869 1 1 7 ALA N N -0.661 -7.725 1.177 1.00 . A A . 7 ALA N 1 1 16 4870 1 1 7 ALA O O 1.720 -5.087 0.961 1.00 . A A . 7 ALA O 1 1 16 4871 1 1 8 LYS C C 1.636 -4.999 -1.975 1.00 . A A . 8 LYS C 1 1 16 4872 1 1 8 LYS CA C 2.198 -6.324 -1.472 1.00 . A A . 8 LYS CA 1 1 16 4873 1 1 8 LYS CB C 2.271 -7.330 -2.623 1.00 . A A . 8 LYS CB 1 1 16 4874 1 1 8 LYS CD C 3.617 -8.285 -4.516 1.00 . A A . 8 LYS CD 1 1 16 4875 1 1 8 LYS CE C 4.469 -7.696 -5.630 1.00 . A A . 8 LYS CE 1 1 16 4876 1 1 8 LYS CG C 3.641 -7.411 -3.274 1.00 . A A . 8 LYS CG 1 1 16 4877 1 1 8 LYS H H 0.951 -7.730 -0.498 1.00 . A A . 8 LYS H 1 1 16 4878 1 1 8 LYS HA H 3.193 -6.156 -1.088 1.00 . A A . 8 LYS HA 1 1 16 4879 1 1 8 LYS HB2 H 2.016 -8.309 -2.247 1.00 . A A . 8 LYS HB2 1 1 16 4880 1 1 8 LYS HB3 H 1.553 -7.046 -3.379 1.00 . A A . 8 LYS HB3 1 1 16 4881 1 1 8 LYS HD2 H 4.000 -9.264 -4.266 1.00 . A A . 8 LYS HD2 1 1 16 4882 1 1 8 LYS HD3 H 2.597 -8.374 -4.864 1.00 . A A . 8 LYS HD3 1 1 16 4883 1 1 8 LYS HE2 H 3.833 -7.128 -6.290 1.00 . A A . 8 LYS HE2 1 1 16 4884 1 1 8 LYS HE3 H 5.208 -7.041 -5.191 1.00 . A A . 8 LYS HE3 1 1 16 4885 1 1 8 LYS HG2 H 3.957 -6.417 -3.553 1.00 . A A . 8 LYS HG2 1 1 16 4886 1 1 8 LYS HG3 H 4.343 -7.828 -2.565 1.00 . A A . 8 LYS HG3 1 1 16 4887 1 1 8 LYS HZ1 H 6.174 -8.521 -6.512 1.00 . A A . 8 LYS HZ1 1 1 16 4888 1 1 8 LYS HZ2 H 4.745 -8.824 -7.366 1.00 . A A . 8 LYS HZ2 1 1 16 4889 1 1 8 LYS HZ3 H 5.072 -9.671 -5.939 1.00 . A A . 8 LYS HZ3 1 1 16 4890 1 1 8 LYS N N 1.383 -6.856 -0.387 1.00 . A A . 8 LYS N 1 1 16 4891 1 1 8 LYS NZ N 5.164 -8.753 -6.416 1.00 . A A . 8 LYS NZ 1 1 16 4892 1 1 8 LYS O O 2.341 -4.217 -2.613 1.00 . A A . 8 LYS O 1 1 16 4893 1 1 9 VAL C C -1.100 -2.910 -0.964 1.00 . A A . 9 VAL C 1 1 16 4894 1 1 9 VAL CA C -0.293 -3.520 -2.105 1.00 . A A . 9 VAL CA 1 1 16 4895 1 1 9 VAL CB C -1.227 -3.763 -3.307 1.00 . A A . 9 VAL CB 1 1 16 4896 1 1 9 VAL CG1 C -2.431 -4.592 -2.888 1.00 . A A . 9 VAL CG1 1 1 16 4897 1 1 9 VAL CG2 C -1.665 -2.440 -3.917 1.00 . A A . 9 VAL CG2 1 1 16 4898 1 1 9 VAL H H -0.147 -5.415 -1.172 1.00 . A A . 9 VAL H 1 1 16 4899 1 1 9 VAL HA H 0.472 -2.820 -2.407 1.00 . A A . 9 VAL HA 1 1 16 4900 1 1 9 VAL HB H -0.679 -4.317 -4.054 1.00 . A A . 9 VAL HB 1 1 16 4901 1 1 9 VAL HG11 H -2.501 -5.469 -3.516 1.00 . A A . 9 VAL HG11 1 1 16 4902 1 1 9 VAL HG12 H -2.320 -4.894 -1.857 1.00 . A A . 9 VAL HG12 1 1 16 4903 1 1 9 VAL HG13 H -3.329 -4.001 -2.996 1.00 . A A . 9 VAL HG13 1 1 16 4904 1 1 9 VAL HG21 H -0.870 -1.716 -3.811 1.00 . A A . 9 VAL HG21 1 1 16 4905 1 1 9 VAL HG22 H -1.884 -2.582 -4.965 1.00 . A A . 9 VAL HG22 1 1 16 4906 1 1 9 VAL HG23 H -2.548 -2.085 -3.409 1.00 . A A . 9 VAL HG23 1 1 16 4907 1 1 9 VAL N N 0.362 -4.753 -1.684 1.00 . A A . 9 VAL N 1 1 16 4908 1 1 9 VAL O O -2.204 -2.407 -1.171 1.00 . A A . 9 VAL O 1 1 16 4909 1 1 10 ALA C C -0.210 -2.144 2.538 1.00 . A A . 10 ALA C 1 1 16 4910 1 1 10 ALA CA C -1.207 -2.406 1.414 1.00 . A A . 10 ALA CA 1 1 16 4911 1 1 10 ALA CB C -2.305 -3.347 1.887 1.00 . A A . 10 ALA CB 1 1 16 4912 1 1 10 ALA H H 0.342 -3.370 0.341 1.00 . A A . 10 ALA H 1 1 16 4913 1 1 10 ALA HA H -1.666 -1.470 1.129 1.00 . A A . 10 ALA HA 1 1 16 4914 1 1 10 ALA HB1 H -1.899 -4.341 2.007 1.00 . A A . 10 ALA HB1 1 1 16 4915 1 1 10 ALA HB2 H -2.693 -2.999 2.833 1.00 . A A . 10 ALA HB2 1 1 16 4916 1 1 10 ALA HB3 H -3.100 -3.368 1.157 1.00 . A A . 10 ALA HB3 1 1 16 4917 1 1 10 ALA N N -0.541 -2.957 0.240 1.00 . A A . 10 ALA N 1 1 16 4918 1 1 10 ALA O O 0.118 -3.074 3.247 1.00 . A A . 10 ALA O 1 1 16 4919 1 1 11 . C C 2.484 0.503 3.014 1.00 . A A . 11 I4G C 1 1 16 4920 1 1 11 . CA C 1.356 -0.296 3.621 1.00 . A A . 11 I4G CA 1 1 16 4921 1 1 11 . CB C -0.141 0.389 1.780 1.00 . A A . 11 I4G CB 1 1 16 4922 1 1 11 . CD1 C -2.284 0.236 3.170 1.00 . A A . 11 I4G CD1 1 1 16 4923 1 1 11 . CD2 C -0.831 2.297 3.289 1.00 . A A . 11 I4G CD2 1 1 16 4924 1 1 11 . CG C -1.342 1.168 2.372 1.00 . A A . 11 I4G CG 1 1 16 4925 1 1 11 . HA2 H 1.734 -1.133 4.018 1.00 . A A . 11 I4G HA2 1 1 16 4926 1 1 11 . HA3 H 0.928 0.251 4.340 1.00 . A A . 11 I4G HA3 1 1 16 4927 1 1 11 . HB2 H -0.397 -0.023 0.906 1.00 . A A . 11 I4G HB2 1 1 16 4928 1 1 11 . HB3 H 0.634 1.006 1.644 1.00 . A A . 11 I4G HB3 1 1 16 4929 1 1 11 . HD11 H -3.108 0.804 3.604 1.00 . A A . 11 I4G HD11 1 1 16 4930 1 1 11 . HD12 H -2.706 -0.532 2.521 1.00 . A A . 11 I4G HD12 1 1 16 4931 1 1 11 . HD13 H -1.739 -0.260 3.976 1.00 . A A . 11 I4G HD13 1 1 16 4932 1 1 11 . HD21 H -1.666 2.871 3.695 1.00 . A A . 11 I4G HD21 1 1 16 4933 1 1 11 . HD22 H -0.255 1.886 4.123 1.00 . A A . 11 I4G HD22 1 1 16 4934 1 1 11 . HD23 H -0.186 2.981 2.733 1.00 . A A . 11 I4G HD23 1 1 16 4935 1 1 11 . HG H -1.910 1.626 1.558 1.00 . A A . 11 I4G HG 1 1 16 4936 1 1 11 . N N 0.299 -0.693 2.674 1.00 . A A . 11 I4G N 1 1 16 4937 1 1 11 . O O 2.964 1.489 3.574 1.00 . A A . 11 I4G O 1 1 16 4938 1 1 12 HIS C C 3.382 1.505 -0.116 1.00 . A A . 12 HIS C 1 1 16 4939 1 1 12 HIS CA C 3.950 0.760 1.088 1.00 . A A . 12 HIS CA 1 1 16 4940 1 1 12 HIS CB C 5.011 -0.241 0.629 1.00 . A A . 12 HIS CB 1 1 16 4941 1 1 12 HIS CD2 C 3.572 -1.447 -1.161 1.00 . A A . 12 HIS CD2 1 1 16 4942 1 1 12 HIS CE1 C 5.074 -1.567 -2.752 1.00 . A A . 12 HIS CE1 1 1 16 4943 1 1 12 HIS CG C 4.705 -0.873 -0.694 1.00 . A A . 12 HIS CG 1 1 16 4944 1 1 12 HIS H H 2.471 -0.716 1.429 1.00 . A A . 12 HIS H 1 1 16 4945 1 1 12 HIS HA H 4.408 1.476 1.755 1.00 . A A . 12 HIS HA 1 1 16 4946 1 1 12 HIS HB2 H 5.961 0.264 0.543 1.00 . A A . 12 HIS HB2 1 1 16 4947 1 1 12 HIS HB3 H 5.093 -1.030 1.363 1.00 . A A . 12 HIS HB3 1 1 16 4948 1 1 12 HIS HD1 H 6.551 -0.637 -1.684 1.00 . A A . 12 HIS HD1 1 1 16 4949 1 1 12 HIS HD2 H 2.638 -1.551 -0.625 1.00 . A A . 12 HIS HD2 1 1 16 4950 1 1 12 HIS HE1 H 5.559 -1.777 -3.695 1.00 . A A . 12 HIS HE1 1 1 16 4951 1 1 12 HIS N N 2.892 0.076 1.823 1.00 . A A . 12 HIS N 1 1 16 4952 1 1 12 HIS ND1 N 5.628 -0.966 -1.714 1.00 . A A . 12 HIS ND1 1 1 16 4953 1 1 12 HIS NE2 N 3.827 -1.870 -2.442 1.00 . A A . 12 HIS NE2 1 1 16 4954 1 1 12 HIS O O 4.042 2.369 -0.693 1.00 . A A . 12 HIS O 1 1 16 4955 1 1 13 VAL C C 1.545 3.319 -1.509 1.00 . A A . 13 VAL C 1 1 16 4956 1 1 13 VAL CA C 1.495 1.800 -1.626 1.00 . A A . 13 VAL CA 1 1 16 4957 1 1 13 VAL CB C 0.026 1.353 -1.746 1.00 . A A . 13 VAL CB 1 1 16 4958 1 1 13 VAL CG1 C -0.656 2.064 -2.906 1.00 . A A . 13 VAL CG1 1 1 16 4959 1 1 13 VAL CG2 C -0.059 -0.157 -1.911 1.00 . A A . 13 VAL CG2 1 1 16 4960 1 1 13 VAL H H 1.676 0.468 0.009 1.00 . A A . 13 VAL H 1 1 16 4961 1 1 13 VAL HA H 2.015 1.500 -2.524 1.00 . A A . 13 VAL HA 1 1 16 4962 1 1 13 VAL HB H -0.488 1.624 -0.835 1.00 . A A . 13 VAL HB 1 1 16 4963 1 1 13 VAL HG11 H -0.665 3.127 -2.719 1.00 . A A . 13 VAL HG11 1 1 16 4964 1 1 13 VAL HG12 H -0.114 1.862 -3.820 1.00 . A A . 13 VAL HG12 1 1 16 4965 1 1 13 VAL HG13 H -1.670 1.706 -3.001 1.00 . A A . 13 VAL HG13 1 1 16 4966 1 1 13 VAL HG21 H 0.463 -0.451 -2.808 1.00 . A A . 13 VAL HG21 1 1 16 4967 1 1 13 VAL HG22 H 0.394 -0.639 -1.057 1.00 . A A . 13 VAL HG22 1 1 16 4968 1 1 13 VAL HG23 H -1.095 -0.453 -1.983 1.00 . A A . 13 VAL HG23 1 1 16 4969 1 1 13 VAL N N 2.153 1.164 -0.491 1.00 . A A . 13 VAL N 1 1 16 4970 1 1 13 VAL O O 2.060 4.004 -2.393 1.00 . A A . 13 VAL O 1 1 16 4971 1 1 14 VAL C C 2.380 5.880 -0.354 1.00 . A A . 14 VAL C 1 1 16 4972 1 1 14 VAL CA C 0.990 5.280 -0.178 1.00 . A A . 14 VAL CA 1 1 16 4973 1 1 14 VAL CB C 0.474 5.613 1.234 1.00 . A A . 14 VAL CB 1 1 16 4974 1 1 14 VAL CG1 C 0.532 7.113 1.484 1.00 . A A . 14 VAL CG1 1 1 16 4975 1 1 14 VAL CG2 C -0.942 5.088 1.421 1.00 . A A . 14 VAL CG2 1 1 16 4976 1 1 14 VAL H H 0.610 3.244 0.256 1.00 . A A . 14 VAL H 1 1 16 4977 1 1 14 VAL HA H 0.321 5.728 -0.898 1.00 . A A . 14 VAL HA 1 1 16 4978 1 1 14 VAL HB H 1.114 5.126 1.954 1.00 . A A . 14 VAL HB 1 1 16 4979 1 1 14 VAL HG11 H -0.150 7.371 2.281 1.00 . A A . 14 VAL HG11 1 1 16 4980 1 1 14 VAL HG12 H 1.537 7.392 1.763 1.00 . A A . 14 VAL HG12 1 1 16 4981 1 1 14 VAL HG13 H 0.248 7.638 0.584 1.00 . A A . 14 VAL HG13 1 1 16 4982 1 1 14 VAL HG21 H -1.030 4.118 0.953 1.00 . A A . 14 VAL HG21 1 1 16 4983 1 1 14 VAL HG22 H -1.157 4.999 2.476 1.00 . A A . 14 VAL HG22 1 1 16 4984 1 1 14 VAL HG23 H -1.643 5.772 0.969 1.00 . A A . 14 VAL HG23 1 1 16 4985 1 1 14 VAL N N 1.006 3.841 -0.412 1.00 . A A . 14 VAL N 1 1 16 4986 1 1 14 VAL O O 2.523 7.036 -0.752 1.00 . A A . 14 VAL O 1 1 16 4987 1 1 15 GLY C C 5.131 5.897 -1.618 1.00 . A A . 15 GLY C 1 1 16 4988 1 1 15 GLY CA C 4.771 5.558 -0.186 1.00 . A A . 15 GLY CA 1 1 16 4989 1 1 15 GLY H H 3.231 4.174 0.258 1.00 . A A . 15 GLY H 1 1 16 4990 1 1 15 GLY HA2 H 4.897 6.439 0.425 1.00 . A A . 15 GLY HA2 1 1 16 4991 1 1 15 GLY HA3 H 5.440 4.788 0.169 1.00 . A A . 15 GLY HA3 1 1 16 4992 1 1 15 GLY N N 3.404 5.087 -0.054 1.00 . A A . 15 GLY N 1 1 16 4993 1 1 15 GLY O O 5.940 6.790 -1.867 1.00 . A A . 15 GLY O 1 1 16 4994 1 1 16 ALA C C 3.756 6.347 -4.585 1.00 . A A . 16 ALA C 1 1 16 4995 1 1 16 ALA CA C 4.794 5.409 -3.979 1.00 . A A . 16 ALA CA 1 1 16 4996 1 1 16 ALA CB C 4.819 4.088 -4.732 1.00 . A A . 16 ALA CB 1 1 16 4997 1 1 16 ALA H H 3.897 4.481 -2.302 1.00 . A A . 16 ALA H 1 1 16 4998 1 1 16 ALA HA H 5.770 5.864 -4.068 1.00 . A A . 16 ALA HA 1 1 16 4999 1 1 16 ALA HB1 H 5.106 3.295 -4.058 1.00 . A A . 16 ALA HB1 1 1 16 5000 1 1 16 ALA HB2 H 3.836 3.884 -5.132 1.00 . A A . 16 ALA HB2 1 1 16 5001 1 1 16 ALA HB3 H 5.531 4.148 -5.541 1.00 . A A . 16 ALA HB3 1 1 16 5002 1 1 16 ALA N N 4.532 5.180 -2.563 1.00 . A A . 16 ALA N 1 1 16 5003 1 1 16 ALA O O 4.095 7.262 -5.336 1.00 . A A . 16 ALA O 1 1 16 5004 1 1 17 ILE C C 1.622 8.409 -4.426 1.00 . A A . 17 ILE C 1 1 16 5005 1 1 17 ILE CA C 1.403 6.939 -4.766 1.00 . A A . 17 ILE CA 1 1 16 5006 1 1 17 ILE CB C 0.042 6.489 -4.202 1.00 . A A . 17 ILE CB 1 1 16 5007 1 1 17 ILE CD1 C -0.182 4.726 -6.022 1.00 . A A . 17 ILE CD1 1 1 16 5008 1 1 17 ILE CG1 C -0.214 5.019 -4.539 1.00 . A A . 17 ILE CG1 1 1 16 5009 1 1 17 ILE CG2 C -1.074 7.367 -4.749 1.00 . A A . 17 ILE CG2 1 1 16 5010 1 1 17 ILE H H 2.283 5.371 -3.651 1.00 . A A . 17 ILE H 1 1 16 5011 1 1 17 ILE HA H 1.379 6.829 -5.840 1.00 . A A . 17 ILE HA 1 1 16 5012 1 1 17 ILE HB H 0.066 6.607 -3.129 1.00 . A A . 17 ILE HB 1 1 16 5013 1 1 17 ILE HD11 H -0.964 4.022 -6.268 1.00 . A A . 17 ILE HD11 1 1 16 5014 1 1 17 ILE HD12 H -0.333 5.640 -6.575 1.00 . A A . 17 ILE HD12 1 1 16 5015 1 1 17 ILE HD13 H 0.777 4.301 -6.284 1.00 . A A . 17 ILE HD13 1 1 16 5016 1 1 17 ILE HG12 H 0.539 4.411 -4.064 1.00 . A A . 17 ILE HG12 1 1 16 5017 1 1 17 ILE HG13 H -1.188 4.737 -4.165 1.00 . A A . 17 ILE HG13 1 1 16 5018 1 1 17 ILE HG21 H -0.858 7.625 -5.776 1.00 . A A . 17 ILE HG21 1 1 16 5019 1 1 17 ILE HG22 H -2.009 6.829 -4.703 1.00 . A A . 17 ILE HG22 1 1 16 5020 1 1 17 ILE HG23 H -1.146 8.268 -4.160 1.00 . A A . 17 ILE HG23 1 1 16 5021 1 1 17 ILE N N 2.490 6.114 -4.255 1.00 . A A . 17 ILE N 1 1 16 5022 1 1 17 ILE O O 1.307 9.294 -5.221 1.00 . A A . 17 ILE O 1 1 16 5023 1 1 18 ALA C C 3.630 10.617 -3.526 1.00 . A A . 18 ALA C 1 1 16 5024 1 1 18 ALA CA C 2.429 10.026 -2.796 1.00 . A A . 18 ALA CA 1 1 16 5025 1 1 18 ALA CB C 2.656 10.055 -1.292 1.00 . A A . 18 ALA CB 1 1 16 5026 1 1 18 ALA H H 2.394 7.914 -2.650 1.00 . A A . 18 ALA H 1 1 16 5027 1 1 18 ALA HA H 1.557 10.623 -3.016 1.00 . A A . 18 ALA HA 1 1 16 5028 1 1 18 ALA HB1 H 1.835 9.561 -0.795 1.00 . A A . 18 ALA HB1 1 1 16 5029 1 1 18 ALA HB2 H 3.579 9.547 -1.057 1.00 . A A . 18 ALA HB2 1 1 16 5030 1 1 18 ALA HB3 H 2.715 11.080 -0.957 1.00 . A A . 18 ALA HB3 1 1 16 5031 1 1 18 ALA N N 2.165 8.662 -3.240 1.00 . A A . 18 ALA N 1 1 16 5032 1 1 18 ALA O O 3.891 11.816 -3.439 1.00 . A A . 18 ALA O 1 1 16 5033 1 1 19 GLU C C 5.125 10.936 -6.266 1.00 . A A . 19 GLU C 1 1 16 5034 1 1 19 GLU CA C 5.532 10.208 -4.988 1.00 . A A . 19 GLU CA 1 1 16 5035 1 1 19 GLU CB C 6.424 9.013 -5.331 1.00 . A A . 19 GLU CB 1 1 16 5036 1 1 19 GLU CD C 8.372 9.247 -6.923 1.00 . A A . 19 GLU CD 1 1 16 5037 1 1 19 GLU CG C 7.891 9.374 -5.490 1.00 . A A . 19 GLU CG 1 1 16 5038 1 1 19 GLU H H 4.099 8.823 -4.275 1.00 . A A . 19 GLU H 1 1 16 5039 1 1 19 GLU HA H 6.085 10.890 -4.361 1.00 . A A . 19 GLU HA 1 1 16 5040 1 1 19 GLU HB2 H 6.338 8.277 -4.545 1.00 . A A . 19 GLU HB2 1 1 16 5041 1 1 19 GLU HB3 H 6.081 8.578 -6.258 1.00 . A A . 19 GLU HB3 1 1 16 5042 1 1 19 GLU HG2 H 8.035 10.395 -5.167 1.00 . A A . 19 GLU HG2 1 1 16 5043 1 1 19 GLU HG3 H 8.480 8.715 -4.868 1.00 . A A . 19 GLU HG3 1 1 16 5044 1 1 19 GLU N N 4.358 9.767 -4.245 1.00 . A A . 19 GLU N 1 1 16 5045 1 1 19 GLU O O 5.600 12.038 -6.544 1.00 . A A . 19 GLU O 1 1 16 5046 1 1 19 GLU OE1 O 7.730 9.834 -7.818 1.00 . A A . 19 GLU OE1 1 1 16 5047 1 1 19 GLU OE2 O 9.392 8.561 -7.147 1.00 . A A . 19 GLU OE2 1 1 16 5048 1 1 20 HIS C C 2.738 11.990 -8.021 1.00 . A A . 20 HIS C 1 1 16 5049 1 1 20 HIS CA C 3.771 10.900 -8.290 1.00 . A A . 20 HIS CA 1 1 16 5050 1 1 20 HIS CB C 3.169 9.821 -9.190 1.00 . A A . 20 HIS CB 1 1 16 5051 1 1 20 HIS CD2 C 1.093 8.768 -8.047 1.00 . A A . 20 HIS CD2 1 1 16 5052 1 1 20 HIS CE1 C -0.464 9.785 -9.209 1.00 . A A . 20 HIS CE1 1 1 16 5053 1 1 20 HIS CG C 1.713 9.575 -8.939 1.00 . A A . 20 HIS CG 1 1 16 5054 1 1 20 HIS H H 3.901 9.436 -6.765 1.00 . A A . 20 HIS H 1 1 16 5055 1 1 20 HIS HA H 4.621 11.341 -8.790 1.00 . A A . 20 HIS HA 1 1 16 5056 1 1 20 HIS HB2 H 3.282 10.119 -10.223 1.00 . A A . 20 HIS HB2 1 1 16 5057 1 1 20 HIS HB3 H 3.696 8.892 -9.029 1.00 . A A . 20 HIS HB3 1 1 16 5058 1 1 20 HIS HD1 H 0.841 10.846 -10.375 1.00 . A A . 20 HIS HD1 1 1 16 5059 1 1 20 HIS HD2 H 1.571 8.126 -7.321 1.00 . A A . 20 HIS HD2 1 1 16 5060 1 1 20 HIS HE1 H -1.427 10.102 -9.580 1.00 . A A . 20 HIS HE1 1 1 16 5061 1 1 20 HIS N N 4.244 10.312 -7.041 1.00 . A A . 20 HIS N 1 1 16 5062 1 1 20 HIS ND1 N 0.711 10.198 -9.653 1.00 . A A . 20 HIS ND1 1 1 16 5063 1 1 20 HIS NE2 N -0.259 8.916 -8.235 1.00 . A A . 20 HIS NE2 1 1 16 5064 1 1 20 HIS O O 2.541 12.888 -8.840 1.00 . A A . 20 HIS O 1 1 16 5065 1 1 21 PHE C C 1.460 13.607 -5.208 1.00 . A A . 21 PHE C 1 1 16 5066 1 1 21 PHE CA C 1.067 12.883 -6.494 1.00 . A A . 21 PHE CA 1 1 16 5067 1 1 21 PHE CB C -0.290 12.199 -6.313 1.00 . A A . 21 PHE CB 1 1 16 5068 1 1 21 PHE CD1 C -1.448 12.968 -8.403 1.00 . A A . 21 PHE CD1 1 1 16 5069 1 1 21 PHE CD2 C -2.437 13.498 -6.299 1.00 . A A . 21 PHE CD2 1 1 16 5070 1 1 21 PHE CE1 C -2.480 13.615 -9.054 1.00 . A A . 21 PHE CE1 1 1 16 5071 1 1 21 PHE CE2 C -3.473 14.146 -6.945 1.00 . A A . 21 PHE CE2 1 1 16 5072 1 1 21 PHE CG C -1.414 12.903 -7.019 1.00 . A A . 21 PHE CG 1 1 16 5073 1 1 21 PHE CZ C -3.494 14.204 -8.325 1.00 . A A . 21 PHE CZ 1 1 16 5074 1 1 21 PHE H H 2.284 11.166 -6.257 1.00 . A A . 21 PHE H 1 1 16 5075 1 1 21 PHE HA H 0.993 13.606 -7.291 1.00 . A A . 21 PHE HA 1 1 16 5076 1 1 21 PHE HB2 H -0.232 11.194 -6.702 1.00 . A A . 21 PHE HB2 1 1 16 5077 1 1 21 PHE HB3 H -0.528 12.161 -5.262 1.00 . A A . 21 PHE HB3 1 1 16 5078 1 1 21 PHE HD1 H -0.655 12.508 -8.975 1.00 . A A . 21 PHE HD1 1 1 16 5079 1 1 21 PHE HD2 H -2.420 13.453 -5.219 1.00 . A A . 21 PHE HD2 1 1 16 5080 1 1 21 PHE HE1 H -2.495 13.659 -10.132 1.00 . A A . 21 PHE HE1 1 1 16 5081 1 1 21 PHE HE2 H -4.264 14.605 -6.371 1.00 . A A . 21 PHE HE2 1 1 16 5082 1 1 21 PHE HZ H -4.302 14.711 -8.831 1.00 . A A . 21 PHE HZ 1 1 16 5083 1 1 21 PHE N N 2.082 11.905 -6.869 1.00 . A A . 21 PHE N 1 1 16 5084 1 1 21 PHE O O 0.636 13.942 -4.392 1.00 . A A . 21 PHE O 1 1 16 5085 1 1 22 NH2 HN1 H 3.551 13.555 -5.763 1.00 . A A . 22 NH2 HN1 1 1 16 5086 1 1 22 NH2 HN2 H 3.246 14.346 -4.186 1.00 . A A . 22 NH2 HN2 1 1 16 5087 1 1 22 NH2 N N 2.940 13.877 -5.018 1.00 . A A . 22 NH2 N 1 1 16 5088 2 2 1 UNX UNK . -13.492 0.618 -12.243 1.00 . B A . 100 UNX UNK 1 1 17 5089 1 1 1 GLY C C -3.726 -16.058 0.428 1.00 . A A . 1 GLY C 1 1 17 5090 1 1 1 GLY CA C -3.450 -17.272 1.295 1.00 . A A . 1 GLY CA 1 1 17 5091 1 1 1 GLY H1 H -3.716 -16.803 3.313 1.00 . A A . 1 GLY H1 1 1 17 5092 1 1 1 GLY H2 H -2.262 -17.477 3.000 1.00 . A A . 1 GLY H2 1 1 17 5093 1 1 1 GLY H3 H -2.563 -16.046 2.776 1.00 . A A . 1 GLY H3 1 1 17 5094 1 1 1 GLY HA2 H -2.693 -17.875 0.819 1.00 . A A . 1 GLY HA2 1 1 17 5095 1 1 1 GLY HA3 H -4.358 -17.851 1.380 1.00 . A A . 1 GLY HA3 1 1 17 5096 1 1 1 GLY N N -2.997 -16.912 2.626 1.00 . A A . 1 GLY N 1 1 17 5097 1 1 1 GLY O O -2.855 -15.609 -0.318 1.00 . A A . 1 GLY O 1 1 17 5098 1 1 2 LEU C C -4.707 -13.088 0.317 1.00 . A A . 2 LEU C 1 1 17 5099 1 1 2 LEU CA C -5.328 -14.358 -0.256 1.00 . A A . 2 LEU CA 1 1 17 5100 1 1 2 LEU CB C -6.852 -14.226 -0.289 1.00 . A A . 2 LEU CB 1 1 17 5101 1 1 2 LEU CD1 C -8.794 -13.777 -1.808 1.00 . A A . 2 LEU CD1 1 1 17 5102 1 1 2 LEU CD2 C -7.496 -11.867 -0.846 1.00 . A A . 2 LEU CD2 1 1 17 5103 1 1 2 LEU CG C -7.421 -13.297 -1.362 1.00 . A A . 2 LEU CG 1 1 17 5104 1 1 2 LEU H H -5.590 -15.929 1.137 1.00 . A A . 2 LEU H 1 1 17 5105 1 1 2 LEU HA H -4.965 -14.499 -1.263 1.00 . A A . 2 LEU HA 1 1 17 5106 1 1 2 LEU HB2 H -7.266 -15.209 -0.448 1.00 . A A . 2 LEU HB2 1 1 17 5107 1 1 2 LEU HB3 H -7.171 -13.855 0.675 1.00 . A A . 2 LEU HB3 1 1 17 5108 1 1 2 LEU HD11 H -8.699 -14.735 -2.297 1.00 . A A . 2 LEU HD11 1 1 17 5109 1 1 2 LEU HD12 H -9.219 -13.062 -2.497 1.00 . A A . 2 LEU HD12 1 1 17 5110 1 1 2 LEU HD13 H -9.439 -13.873 -0.948 1.00 . A A . 2 LEU HD13 1 1 17 5111 1 1 2 LEU HD21 H -6.967 -11.213 -1.523 1.00 . A A . 2 LEU HD21 1 1 17 5112 1 1 2 LEU HD22 H -7.044 -11.814 0.134 1.00 . A A . 2 LEU HD22 1 1 17 5113 1 1 2 LEU HD23 H -8.530 -11.561 -0.783 1.00 . A A . 2 LEU HD23 1 1 17 5114 1 1 2 LEU HG H -6.768 -13.309 -2.224 1.00 . A A . 2 LEU HG 1 1 17 5115 1 1 2 LEU N N -4.939 -15.526 0.526 1.00 . A A . 2 LEU N 1 1 17 5116 1 1 2 LEU O O -3.849 -12.467 -0.309 1.00 . A A . 2 LEU O 1 1 17 5117 1 1 3 PHE C C -3.114 -11.571 2.296 1.00 . A A . 3 PHE C 1 1 17 5118 1 1 3 PHE CA C -4.634 -11.514 2.171 1.00 . A A . 3 PHE CA 1 1 17 5119 1 1 3 PHE CB C -5.265 -11.358 3.556 1.00 . A A . 3 PHE CB 1 1 17 5120 1 1 3 PHE CD1 C -4.852 -9.009 4.338 1.00 . A A . 3 PHE CD1 1 1 17 5121 1 1 3 PHE CD2 C -7.053 -9.599 3.635 1.00 . A A . 3 PHE CD2 1 1 17 5122 1 1 3 PHE CE1 C -5.279 -7.723 4.607 1.00 . A A . 3 PHE CE1 1 1 17 5123 1 1 3 PHE CE2 C -7.485 -8.314 3.902 1.00 . A A . 3 PHE CE2 1 1 17 5124 1 1 3 PHE CG C -5.733 -9.961 3.849 1.00 . A A . 3 PHE CG 1 1 17 5125 1 1 3 PHE CZ C -6.598 -7.375 4.391 1.00 . A A . 3 PHE CZ 1 1 17 5126 1 1 3 PHE H H -5.833 -13.245 1.961 1.00 . A A . 3 PHE H 1 1 17 5127 1 1 3 PHE HA H -4.901 -10.661 1.565 1.00 . A A . 3 PHE HA 1 1 17 5128 1 1 3 PHE HB2 H -6.118 -12.015 3.631 1.00 . A A . 3 PHE HB2 1 1 17 5129 1 1 3 PHE HB3 H -4.539 -11.630 4.307 1.00 . A A . 3 PHE HB3 1 1 17 5130 1 1 3 PHE HD1 H -3.819 -9.281 4.508 1.00 . A A . 3 PHE HD1 1 1 17 5131 1 1 3 PHE HD2 H -7.749 -10.332 3.254 1.00 . A A . 3 PHE HD2 1 1 17 5132 1 1 3 PHE HE1 H -4.582 -6.991 4.990 1.00 . A A . 3 PHE HE1 1 1 17 5133 1 1 3 PHE HE2 H -8.517 -8.045 3.732 1.00 . A A . 3 PHE HE2 1 1 17 5134 1 1 3 PHE HZ H -6.933 -6.371 4.600 1.00 . A A . 3 PHE HZ 1 1 17 5135 1 1 3 PHE N N -5.147 -12.709 1.512 1.00 . A A . 3 PHE N 1 1 17 5136 1 1 3 PHE O O -2.443 -10.540 2.326 1.00 . A A . 3 PHE O 1 1 17 5137 1 1 4 GLY C C -0.374 -12.183 1.437 1.00 . A A . 4 GLY C 1 1 17 5138 1 1 4 GLY CA C -1.142 -12.956 2.491 1.00 . A A . 4 GLY CA 1 1 17 5139 1 1 4 GLY H H -3.161 -13.572 2.340 1.00 . A A . 4 GLY H 1 1 17 5140 1 1 4 GLY HA2 H -0.831 -12.618 3.468 1.00 . A A . 4 GLY HA2 1 1 17 5141 1 1 4 GLY HA3 H -0.906 -14.006 2.393 1.00 . A A . 4 GLY HA3 1 1 17 5142 1 1 4 GLY N N -2.577 -12.785 2.370 1.00 . A A . 4 GLY N 1 1 17 5143 1 1 4 GLY O O 0.747 -11.735 1.678 1.00 . A A . 4 GLY O 1 1 17 5144 1 1 5 VAL C C -0.829 -9.858 -0.889 1.00 . A A . 5 VAL C 1 1 17 5145 1 1 5 VAL CA C -0.344 -11.302 -0.833 1.00 . A A . 5 VAL CA 1 1 17 5146 1 1 5 VAL CB C -0.623 -11.979 -2.188 1.00 . A A . 5 VAL CB 1 1 17 5147 1 1 5 VAL CG1 C 0.016 -11.190 -3.320 1.00 . A A . 5 VAL CG1 1 1 17 5148 1 1 5 VAL CG2 C -0.123 -13.416 -2.179 1.00 . A A . 5 VAL CG2 1 1 17 5149 1 1 5 VAL H H -1.872 -12.407 0.131 1.00 . A A . 5 VAL H 1 1 17 5150 1 1 5 VAL HA H 0.723 -11.309 -0.664 1.00 . A A . 5 VAL HA 1 1 17 5151 1 1 5 VAL HB H -1.692 -11.993 -2.347 1.00 . A A . 5 VAL HB 1 1 17 5152 1 1 5 VAL HG11 H 0.210 -11.849 -4.153 1.00 . A A . 5 VAL HG11 1 1 17 5153 1 1 5 VAL HG12 H -0.653 -10.400 -3.632 1.00 . A A . 5 VAL HG12 1 1 17 5154 1 1 5 VAL HG13 H 0.946 -10.760 -2.979 1.00 . A A . 5 VAL HG13 1 1 17 5155 1 1 5 VAL HG21 H 0.029 -13.750 -3.195 1.00 . A A . 5 VAL HG21 1 1 17 5156 1 1 5 VAL HG22 H 0.813 -13.468 -1.639 1.00 . A A . 5 VAL HG22 1 1 17 5157 1 1 5 VAL HG23 H -0.852 -14.049 -1.696 1.00 . A A . 5 VAL HG23 1 1 17 5158 1 1 5 VAL N N -0.978 -12.026 0.263 1.00 . A A . 5 VAL N 1 1 17 5159 1 1 5 VAL O O -0.150 -8.985 -1.432 1.00 . A A . 5 VAL O 1 1 17 5160 1 1 6 LEU C C -1.597 -7.263 0.273 1.00 . A A . 6 LEU C 1 1 17 5161 1 1 6 LEU CA C -2.581 -8.271 -0.310 1.00 . A A . 6 LEU CA 1 1 17 5162 1 1 6 LEU CB C -3.879 -8.261 0.500 1.00 . A A . 6 LEU CB 1 1 17 5163 1 1 6 LEU CD1 C -6.348 -8.663 0.657 1.00 . A A . 6 LEU CD1 1 1 17 5164 1 1 6 LEU CD2 C -5.410 -7.403 -1.289 1.00 . A A . 6 LEU CD2 1 1 17 5165 1 1 6 LEU CG C -5.164 -8.520 -0.287 1.00 . A A . 6 LEU CG 1 1 17 5166 1 1 6 LEU H H -2.500 -10.347 0.091 1.00 . A A . 6 LEU H 1 1 17 5167 1 1 6 LEU HA H -2.801 -7.994 -1.330 1.00 . A A . 6 LEU HA 1 1 17 5168 1 1 6 LEU HB2 H -3.799 -9.022 1.262 1.00 . A A . 6 LEU HB2 1 1 17 5169 1 1 6 LEU HB3 H -3.967 -7.292 0.970 1.00 . A A . 6 LEU HB3 1 1 17 5170 1 1 6 LEU HD11 H -6.139 -8.142 1.579 1.00 . A A . 6 LEU HD11 1 1 17 5171 1 1 6 LEU HD12 H -6.518 -9.709 0.866 1.00 . A A . 6 LEU HD12 1 1 17 5172 1 1 6 LEU HD13 H -7.228 -8.241 0.196 1.00 . A A . 6 LEU HD13 1 1 17 5173 1 1 6 LEU HD21 H -6.403 -7.003 -1.145 1.00 . A A . 6 LEU HD21 1 1 17 5174 1 1 6 LEU HD22 H -5.321 -7.793 -2.292 1.00 . A A . 6 LEU HD22 1 1 17 5175 1 1 6 LEU HD23 H -4.681 -6.619 -1.141 1.00 . A A . 6 LEU HD23 1 1 17 5176 1 1 6 LEU HG H -5.061 -9.447 -0.836 1.00 . A A . 6 LEU HG 1 1 17 5177 1 1 6 LEU N N -2.005 -9.611 -0.325 1.00 . A A . 6 LEU N 1 1 17 5178 1 1 6 LEU O O -1.636 -6.078 -0.061 1.00 . A A . 6 LEU O 1 1 17 5179 1 1 7 ALA C C 1.165 -6.209 0.720 1.00 . A A . 7 ALA C 1 1 17 5180 1 1 7 ALA CA C 0.284 -6.880 1.768 1.00 . A A . 7 ALA CA 1 1 17 5181 1 1 7 ALA CB C 1.137 -7.682 2.740 1.00 . A A . 7 ALA CB 1 1 17 5182 1 1 7 ALA H H -0.732 -8.693 1.369 1.00 . A A . 7 ALA H 1 1 17 5183 1 1 7 ALA HA H -0.236 -6.117 2.328 1.00 . A A . 7 ALA HA 1 1 17 5184 1 1 7 ALA HB1 H 1.673 -7.005 3.390 1.00 . A A . 7 ALA HB1 1 1 17 5185 1 1 7 ALA HB2 H 0.501 -8.323 3.333 1.00 . A A . 7 ALA HB2 1 1 17 5186 1 1 7 ALA HB3 H 1.842 -8.285 2.187 1.00 . A A . 7 ALA HB3 1 1 17 5187 1 1 7 ALA N N -0.714 -7.740 1.143 1.00 . A A . 7 ALA N 1 1 17 5188 1 1 7 ALA O O 1.678 -5.110 0.935 1.00 . A A . 7 ALA O 1 1 17 5189 1 1 8 LYS C C 1.597 -5.015 -2.001 1.00 . A A . 8 LYS C 1 1 17 5190 1 1 8 LYS CA C 2.155 -6.343 -1.500 1.00 . A A . 8 LYS CA 1 1 17 5191 1 1 8 LYS CB C 2.226 -7.346 -2.654 1.00 . A A . 8 LYS CB 1 1 17 5192 1 1 8 LYS CD C 3.495 -7.818 -4.768 1.00 . A A . 8 LYS CD 1 1 17 5193 1 1 8 LYS CE C 4.870 -7.950 -5.406 1.00 . A A . 8 LYS CE 1 1 17 5194 1 1 8 LYS CG C 3.597 -7.430 -3.303 1.00 . A A . 8 LYS CG 1 1 17 5195 1 1 8 LYS H H 0.902 -7.747 -0.531 1.00 . A A . 8 LYS H 1 1 17 5196 1 1 8 LYS HA H 3.150 -6.179 -1.115 1.00 . A A . 8 LYS HA 1 1 17 5197 1 1 8 LYS HB2 H 1.967 -8.325 -2.279 1.00 . A A . 8 LYS HB2 1 1 17 5198 1 1 8 LYS HB3 H 1.509 -7.058 -3.410 1.00 . A A . 8 LYS HB3 1 1 17 5199 1 1 8 LYS HD2 H 2.982 -8.765 -4.848 1.00 . A A . 8 LYS HD2 1 1 17 5200 1 1 8 LYS HD3 H 2.936 -7.058 -5.296 1.00 . A A . 8 LYS HD3 1 1 17 5201 1 1 8 LYS HE2 H 4.748 -8.231 -6.440 1.00 . A A . 8 LYS HE2 1 1 17 5202 1 1 8 LYS HE3 H 5.372 -6.995 -5.350 1.00 . A A . 8 LYS HE3 1 1 17 5203 1 1 8 LYS HG2 H 4.079 -6.467 -3.229 1.00 . A A . 8 LYS HG2 1 1 17 5204 1 1 8 LYS HG3 H 4.186 -8.172 -2.783 1.00 . A A . 8 LYS HG3 1 1 17 5205 1 1 8 LYS HZ1 H 6.205 -8.549 -3.916 1.00 . A A . 8 LYS HZ1 1 1 17 5206 1 1 8 LYS HZ2 H 6.404 -9.368 -5.382 1.00 . A A . 8 LYS HZ2 1 1 17 5207 1 1 8 LYS HZ3 H 5.103 -9.750 -4.371 1.00 . A A . 8 LYS HZ3 1 1 17 5208 1 1 8 LYS N N 1.337 -6.875 -0.417 1.00 . A A . 8 LYS N 1 1 17 5209 1 1 8 LYS NZ N 5.704 -8.976 -4.721 1.00 . A A . 8 LYS NZ 1 1 17 5210 1 1 8 LYS O O 2.303 -4.233 -2.638 1.00 . A A . 8 LYS O 1 1 17 5211 1 1 9 VAL C C -1.135 -2.920 -0.987 1.00 . A A . 9 VAL C 1 1 17 5212 1 1 9 VAL CA C -0.328 -3.530 -2.128 1.00 . A A . 9 VAL CA 1 1 17 5213 1 1 9 VAL CB C -1.259 -3.767 -3.332 1.00 . A A . 9 VAL CB 1 1 17 5214 1 1 9 VAL CG1 C -2.467 -4.594 -2.918 1.00 . A A . 9 VAL CG1 1 1 17 5215 1 1 9 VAL CG2 C -1.693 -2.441 -3.939 1.00 . A A . 9 VAL CG2 1 1 17 5216 1 1 9 VAL H H -0.188 -5.427 -1.199 1.00 . A A . 9 VAL H 1 1 17 5217 1 1 9 VAL HA H 0.440 -2.831 -2.426 1.00 . A A . 9 VAL HA 1 1 17 5218 1 1 9 VAL HB H -0.712 -4.320 -4.081 1.00 . A A . 9 VAL HB 1 1 17 5219 1 1 9 VAL HG11 H -2.538 -5.468 -3.549 1.00 . A A . 9 VAL HG11 1 1 17 5220 1 1 9 VAL HG12 H -2.359 -4.899 -1.888 1.00 . A A . 9 VAL HG12 1 1 17 5221 1 1 9 VAL HG13 H -3.363 -3.999 -3.025 1.00 . A A . 9 VAL HG13 1 1 17 5222 1 1 9 VAL HG21 H -1.910 -2.581 -4.988 1.00 . A A . 9 VAL HG21 1 1 17 5223 1 1 9 VAL HG22 H -2.577 -2.084 -3.432 1.00 . A A . 9 VAL HG22 1 1 17 5224 1 1 9 VAL HG23 H -0.898 -1.717 -3.828 1.00 . A A . 9 VAL HG23 1 1 17 5225 1 1 9 VAL N N 0.324 -4.765 -1.709 1.00 . A A . 9 VAL N 1 1 17 5226 1 1 9 VAL O O -2.238 -2.415 -1.194 1.00 . A A . 9 VAL O 1 1 17 5227 1 1 10 ALA C C -0.250 -2.167 2.519 1.00 . A A . 10 ALA C 1 1 17 5228 1 1 10 ALA CA C -1.244 -2.422 1.392 1.00 . A A . 10 ALA CA 1 1 17 5229 1 1 10 ALA CB C -2.347 -3.361 1.860 1.00 . A A . 10 ALA CB 1 1 17 5230 1 1 10 ALA H H 0.303 -3.388 0.320 1.00 . A A . 10 ALA H 1 1 17 5231 1 1 10 ALA HA H -1.701 -1.485 1.109 1.00 . A A . 10 ALA HA 1 1 17 5232 1 1 10 ALA HB1 H -1.973 -4.375 1.875 1.00 . A A . 10 ALA HB1 1 1 17 5233 1 1 10 ALA HB2 H -2.662 -3.078 2.854 1.00 . A A . 10 ALA HB2 1 1 17 5234 1 1 10 ALA HB3 H -3.186 -3.296 1.183 1.00 . A A . 10 ALA HB3 1 1 17 5235 1 1 10 ALA N N -0.577 -2.972 0.218 1.00 . A A . 10 ALA N 1 1 17 5236 1 1 10 ALA O O 0.074 -3.101 3.226 1.00 . A A . 10 ALA O 1 1 17 5237 1 1 11 . C C 2.452 0.468 3.009 1.00 . A A . 11 I4G C 1 1 17 5238 1 1 11 . CA C 1.321 -0.329 3.611 1.00 . A A . 11 I4G CA 1 1 17 5239 1 1 11 . CB C -0.170 0.368 1.769 1.00 . A A . 11 I4G CB 1 1 17 5240 1 1 11 . CD1 C -2.318 0.217 3.153 1.00 . A A . 11 I4G CD1 1 1 17 5241 1 1 11 . CD2 C -0.857 2.273 3.283 1.00 . A A . 11 I4G CD2 1 1 17 5242 1 1 11 . CG C -1.370 1.149 2.360 1.00 . A A . 11 I4G CG 1 1 17 5243 1 1 11 . HA2 H 1.695 -1.167 4.006 1.00 . A A . 11 I4G HA2 1 1 17 5244 1 1 11 . HA3 H 0.892 0.217 4.331 1.00 . A A . 11 I4G HA3 1 1 17 5245 1 1 11 . HB2 H -0.425 -0.041 0.893 1.00 . A A . 11 I4G HB2 1 1 17 5246 1 1 11 . HB3 H 0.608 0.983 1.637 1.00 . A A . 11 I4G HB3 1 1 17 5247 1 1 11 . HD11 H -3.140 0.787 3.588 1.00 . A A . 11 I4G HD11 1 1 17 5248 1 1 11 . HD12 H -2.740 -0.548 2.502 1.00 . A A . 11 I4G HD12 1 1 17 5249 1 1 11 . HD13 H -1.775 -0.282 3.960 1.00 . A A . 11 I4G HD13 1 1 17 5250 1 1 11 . HD21 H -1.692 2.850 3.689 1.00 . A A . 11 I4G HD21 1 1 17 5251 1 1 11 . HD22 H -0.285 1.859 4.116 1.00 . A A . 11 I4G HD22 1 1 17 5252 1 1 11 . HD23 H -0.209 2.957 2.730 1.00 . A A . 11 I4G HD23 1 1 17 5253 1 1 11 . HG H -1.934 1.611 1.547 1.00 . A A . 11 I4G HG 1 1 17 5254 1 1 11 . N N 0.264 -0.718 2.661 1.00 . A A . 11 I4G N 1 1 17 5255 1 1 11 . O O 2.935 1.451 3.572 1.00 . A A . 11 I4G O 1 1 17 5256 1 1 12 HIS C C 3.361 1.475 -0.117 1.00 . A A . 12 HIS C 1 1 17 5257 1 1 12 HIS CA C 3.924 0.726 1.087 1.00 . A A . 12 HIS CA 1 1 17 5258 1 1 12 HIS CB C 4.982 -0.278 0.628 1.00 . A A . 12 HIS CB 1 1 17 5259 1 1 12 HIS CD2 C 3.542 -1.473 -1.169 1.00 . A A . 12 HIS CD2 1 1 17 5260 1 1 12 HIS CE1 C 5.049 -1.596 -2.757 1.00 . A A . 12 HIS CE1 1 1 17 5261 1 1 12 HIS CG C 4.677 -0.905 -0.698 1.00 . A A . 12 HIS CG 1 1 17 5262 1 1 12 HIS H H 2.439 -0.746 1.420 1.00 . A A . 12 HIS H 1 1 17 5263 1 1 12 HIS HA H 4.382 1.438 1.756 1.00 . A A . 12 HIS HA 1 1 17 5264 1 1 12 HIS HB2 H 5.933 0.224 0.546 1.00 . A A . 12 HIS HB2 1 1 17 5265 1 1 12 HIS HB3 H 5.059 -1.070 1.360 1.00 . A A . 12 HIS HB3 1 1 17 5266 1 1 12 HIS HD1 H 6.526 -0.675 -1.682 1.00 . A A . 12 HIS HD1 1 1 17 5267 1 1 12 HIS HD2 H 2.607 -1.576 -0.637 1.00 . A A . 12 HIS HD2 1 1 17 5268 1 1 12 HIS HE1 H 5.535 -1.805 -3.698 1.00 . A A . 12 HIS HE1 1 1 17 5269 1 1 12 HIS N N 2.861 0.044 1.817 1.00 . A A . 12 HIS N 1 1 17 5270 1 1 12 HIS ND1 N 5.603 -0.998 -1.717 1.00 . A A . 12 HIS ND1 1 1 17 5271 1 1 12 HIS NE2 N 3.800 -1.894 -2.451 1.00 . A A . 12 HIS NE2 1 1 17 5272 1 1 12 HIS O O 4.026 2.337 -0.691 1.00 . A A . 12 HIS O 1 1 17 5273 1 1 13 VAL C C 1.535 3.300 -1.510 1.00 . A A . 13 VAL C 1 1 17 5274 1 1 13 VAL CA C 1.479 1.781 -1.630 1.00 . A A . 13 VAL CA 1 1 17 5275 1 1 13 VAL CB C 0.008 1.341 -1.754 1.00 . A A . 13 VAL CB 1 1 17 5276 1 1 13 VAL CG1 C -0.668 2.057 -2.913 1.00 . A A . 13 VAL CG1 1 1 17 5277 1 1 13 VAL CG2 C -0.083 -0.168 -1.923 1.00 . A A . 13 VAL CG2 1 1 17 5278 1 1 13 VAL H H 1.652 0.445 0.002 1.00 . A A . 13 VAL H 1 1 17 5279 1 1 13 VAL HA H 1.999 1.482 -2.527 1.00 . A A . 13 VAL HA 1 1 17 5280 1 1 13 VAL HB H -0.505 1.612 -0.843 1.00 . A A . 13 VAL HB 1 1 17 5281 1 1 13 VAL HG11 H -1.088 2.990 -2.563 1.00 . A A . 13 VAL HG11 1 1 17 5282 1 1 13 VAL HG12 H 0.058 2.257 -3.687 1.00 . A A . 13 VAL HG12 1 1 17 5283 1 1 13 VAL HG13 H -1.457 1.435 -3.310 1.00 . A A . 13 VAL HG13 1 1 17 5284 1 1 13 VAL HG21 H -1.118 -0.454 -2.042 1.00 . A A . 13 VAL HG21 1 1 17 5285 1 1 13 VAL HG22 H 0.475 -0.467 -2.799 1.00 . A A . 13 VAL HG22 1 1 17 5286 1 1 13 VAL HG23 H 0.329 -0.654 -1.052 1.00 . A A . 13 VAL HG23 1 1 17 5287 1 1 13 VAL N N 2.131 1.140 -0.495 1.00 . A A . 13 VAL N 1 1 17 5288 1 1 13 VAL O O 2.054 3.985 -2.391 1.00 . A A . 13 VAL O 1 1 17 5289 1 1 14 VAL C C 2.378 5.856 -0.347 1.00 . A A . 14 VAL C 1 1 17 5290 1 1 14 VAL CA C 0.985 5.260 -0.174 1.00 . A A . 14 VAL CA 1 1 17 5291 1 1 14 VAL CB C 0.468 5.593 1.237 1.00 . A A . 14 VAL CB 1 1 17 5292 1 1 14 VAL CG1 C 0.531 7.091 1.491 1.00 . A A . 14 VAL CG1 1 1 17 5293 1 1 14 VAL CG2 C -0.949 5.071 1.422 1.00 . A A . 14 VAL CG2 1 1 17 5294 1 1 14 VAL H H 0.596 3.224 0.255 1.00 . A A . 14 VAL H 1 1 17 5295 1 1 14 VAL HA H 0.319 5.713 -0.895 1.00 . A A . 14 VAL HA 1 1 17 5296 1 1 14 VAL HB H 1.106 5.101 1.957 1.00 . A A . 14 VAL HB 1 1 17 5297 1 1 14 VAL HG11 H 1.468 7.336 1.970 1.00 . A A . 14 VAL HG11 1 1 17 5298 1 1 14 VAL HG12 H 0.457 7.619 0.551 1.00 . A A . 14 VAL HG12 1 1 17 5299 1 1 14 VAL HG13 H -0.288 7.382 2.132 1.00 . A A . 14 VAL HG13 1 1 17 5300 1 1 14 VAL HG21 H -1.026 4.082 0.996 1.00 . A A . 14 VAL HG21 1 1 17 5301 1 1 14 VAL HG22 H -1.183 5.028 2.476 1.00 . A A . 14 VAL HG22 1 1 17 5302 1 1 14 VAL HG23 H -1.644 5.733 0.926 1.00 . A A . 14 VAL HG23 1 1 17 5303 1 1 14 VAL N N 0.995 3.821 -0.412 1.00 . A A . 14 VAL N 1 1 17 5304 1 1 14 VAL O O 2.526 7.012 -0.743 1.00 . A A . 14 VAL O 1 1 17 5305 1 1 15 GLY C C 5.130 5.865 -1.608 1.00 . A A . 15 GLY C 1 1 17 5306 1 1 15 GLY CA C 4.767 5.523 -0.177 1.00 . A A . 15 GLY CA 1 1 17 5307 1 1 15 GLY H H 3.220 4.145 0.263 1.00 . A A . 15 GLY H 1 1 17 5308 1 1 15 GLY HA2 H 4.896 6.402 0.436 1.00 . A A . 15 GLY HA2 1 1 17 5309 1 1 15 GLY HA3 H 5.432 4.750 0.177 1.00 . A A . 15 GLY HA3 1 1 17 5310 1 1 15 GLY N N 3.398 5.058 -0.048 1.00 . A A . 15 GLY N 1 1 17 5311 1 1 15 GLY O O 5.942 6.757 -1.853 1.00 . A A . 15 GLY O 1 1 17 5312 1 1 16 ALA C C 3.761 6.329 -4.574 1.00 . A A . 16 ALA C 1 1 17 5313 1 1 16 ALA CA C 4.794 5.386 -3.970 1.00 . A A . 16 ALA CA 1 1 17 5314 1 1 16 ALA CB C 4.815 4.067 -4.728 1.00 . A A . 16 ALA CB 1 1 17 5315 1 1 16 ALA H H 3.892 4.456 -2.298 1.00 . A A . 16 ALA H 1 1 17 5316 1 1 16 ALA HA H 5.772 5.838 -4.056 1.00 . A A . 16 ALA HA 1 1 17 5317 1 1 16 ALA HB1 H 4.245 3.330 -4.181 1.00 . A A . 16 ALA HB1 1 1 17 5318 1 1 16 ALA HB2 H 4.381 4.206 -5.705 1.00 . A A . 16 ALA HB2 1 1 17 5319 1 1 16 ALA HB3 H 5.835 3.727 -4.831 1.00 . A A . 16 ALA HB3 1 1 17 5320 1 1 16 ALA N N 4.530 5.153 -2.556 1.00 . A A . 16 ALA N 1 1 17 5321 1 1 16 ALA O O 4.103 7.245 -5.323 1.00 . A A . 16 ALA O 1 1 17 5322 1 1 17 ILE C C 1.632 8.397 -4.412 1.00 . A A . 17 ILE C 1 1 17 5323 1 1 17 ILE CA C 1.410 6.928 -4.757 1.00 . A A . 17 ILE CA 1 1 17 5324 1 1 17 ILE CB C 0.046 6.481 -4.197 1.00 . A A . 17 ILE CB 1 1 17 5325 1 1 17 ILE CD1 C -0.178 4.721 -6.023 1.00 . A A . 17 ILE CD1 1 1 17 5326 1 1 17 ILE CG1 C -0.213 5.013 -4.539 1.00 . A A . 17 ILE CG1 1 1 17 5327 1 1 17 ILE CG2 C -1.066 7.362 -4.746 1.00 . A A . 17 ILE CG2 1 1 17 5328 1 1 17 ILE H H 2.283 5.354 -3.646 1.00 . A A . 17 ILE H 1 1 17 5329 1 1 17 ILE HA H 1.387 6.821 -5.832 1.00 . A A . 17 ILE HA 1 1 17 5330 1 1 17 ILE HB H 0.068 6.596 -3.124 1.00 . A A . 17 ILE HB 1 1 17 5331 1 1 17 ILE HD11 H -0.980 4.045 -6.277 1.00 . A A . 17 ILE HD11 1 1 17 5332 1 1 17 ILE HD12 H -0.295 5.642 -6.574 1.00 . A A . 17 ILE HD12 1 1 17 5333 1 1 17 ILE HD13 H 0.769 4.268 -6.278 1.00 . A A . 17 ILE HD13 1 1 17 5334 1 1 17 ILE HG12 H 0.538 4.401 -4.064 1.00 . A A . 17 ILE HG12 1 1 17 5335 1 1 17 ILE HG13 H -1.188 4.731 -4.168 1.00 . A A . 17 ILE HG13 1 1 17 5336 1 1 17 ILE HG21 H -2.023 6.972 -4.432 1.00 . A A . 17 ILE HG21 1 1 17 5337 1 1 17 ILE HG22 H -0.948 8.367 -4.369 1.00 . A A . 17 ILE HG22 1 1 17 5338 1 1 17 ILE HG23 H -1.019 7.374 -5.824 1.00 . A A . 17 ILE HG23 1 1 17 5339 1 1 17 ILE N N 2.494 6.099 -4.247 1.00 . A A . 17 ILE N 1 1 17 5340 1 1 17 ILE O O 1.318 9.286 -5.203 1.00 . A A . 17 ILE O 1 1 17 5341 1 1 18 ALA C C 3.647 10.595 -3.502 1.00 . A A . 18 ALA C 1 1 17 5342 1 1 18 ALA CA C 2.444 10.004 -2.776 1.00 . A A . 18 ALA CA 1 1 17 5343 1 1 18 ALA CB C 2.669 10.029 -1.271 1.00 . A A . 18 ALA CB 1 1 17 5344 1 1 18 ALA H H 2.404 7.893 -2.638 1.00 . A A . 18 ALA H 1 1 17 5345 1 1 18 ALA HA H 1.574 10.605 -2.995 1.00 . A A . 18 ALA HA 1 1 17 5346 1 1 18 ALA HB1 H 3.556 9.462 -1.031 1.00 . A A . 18 ALA HB1 1 1 17 5347 1 1 18 ALA HB2 H 2.793 11.049 -0.943 1.00 . A A . 18 ALA HB2 1 1 17 5348 1 1 18 ALA HB3 H 1.816 9.591 -0.773 1.00 . A A . 18 ALA HB3 1 1 17 5349 1 1 18 ALA N N 2.176 8.644 -3.225 1.00 . A A . 18 ALA N 1 1 17 5350 1 1 18 ALA O O 3.912 11.794 -3.410 1.00 . A A . 18 ALA O 1 1 17 5351 1 1 19 GLU C C 5.148 10.919 -6.239 1.00 . A A . 19 GLU C 1 1 17 5352 1 1 19 GLU CA C 5.550 10.186 -4.963 1.00 . A A . 19 GLU CA 1 1 17 5353 1 1 19 GLU CB C 6.439 8.989 -5.309 1.00 . A A . 19 GLU CB 1 1 17 5354 1 1 19 GLU CD C 8.831 8.244 -4.982 1.00 . A A . 19 GLU CD 1 1 17 5355 1 1 19 GLU CG C 7.908 9.346 -5.463 1.00 . A A . 19 GLU CG 1 1 17 5356 1 1 19 GLU H H 4.112 8.802 -4.257 1.00 . A A . 19 GLU H 1 1 17 5357 1 1 19 GLU HA H 6.105 10.863 -4.332 1.00 . A A . 19 GLU HA 1 1 17 5358 1 1 19 GLU HB2 H 6.349 8.252 -4.525 1.00 . A A . 19 GLU HB2 1 1 17 5359 1 1 19 GLU HB3 H 6.096 8.557 -6.238 1.00 . A A . 19 GLU HB3 1 1 17 5360 1 1 19 GLU HG2 H 8.112 9.535 -6.507 1.00 . A A . 19 GLU HG2 1 1 17 5361 1 1 19 GLU HG3 H 8.110 10.240 -4.891 1.00 . A A . 19 GLU HG3 1 1 17 5362 1 1 19 GLU N N 4.374 9.746 -4.223 1.00 . A A . 19 GLU N 1 1 17 5363 1 1 19 GLU O O 5.627 12.020 -6.514 1.00 . A A . 19 GLU O 1 1 17 5364 1 1 19 GLU OE1 O 8.460 7.059 -5.118 1.00 . A A . 19 GLU OE1 1 1 17 5365 1 1 19 GLU OE2 O 9.924 8.566 -4.470 1.00 . A A . 19 GLU OE2 1 1 17 5366 1 1 20 HIS C C 2.766 11.987 -7.993 1.00 . A A . 20 HIS C 1 1 17 5367 1 1 20 HIS CA C 3.796 10.894 -8.265 1.00 . A A . 20 HIS CA 1 1 17 5368 1 1 20 HIS CB C 3.192 9.821 -9.169 1.00 . A A . 20 HIS CB 1 1 17 5369 1 1 20 HIS CD2 C 1.110 8.770 -8.033 1.00 . A A . 20 HIS CD2 1 1 17 5370 1 1 20 HIS CE1 C -0.440 9.794 -9.195 1.00 . A A . 20 HIS CE1 1 1 17 5371 1 1 20 HIS CG C 1.735 9.578 -8.921 1.00 . A A . 20 HIS CG 1 1 17 5372 1 1 20 HIS H H 3.919 9.426 -6.744 1.00 . A A . 20 HIS H 1 1 17 5373 1 1 20 HIS HA H 4.647 11.335 -8.761 1.00 . A A . 20 HIS HA 1 1 17 5374 1 1 20 HIS HB2 H 3.307 10.121 -10.200 1.00 . A A . 20 HIS HB2 1 1 17 5375 1 1 20 HIS HB3 H 3.716 8.889 -9.011 1.00 . A A . 20 HIS HB3 1 1 17 5376 1 1 20 HIS HD1 H 0.869 10.855 -10.355 1.00 . A A . 20 HIS HD1 1 1 17 5377 1 1 20 HIS HD2 H 1.586 8.125 -7.307 1.00 . A A . 20 HIS HD2 1 1 17 5378 1 1 20 HIS HE1 H -1.402 10.116 -9.566 1.00 . A A . 20 HIS HE1 1 1 17 5379 1 1 20 HIS N N 4.264 10.301 -7.017 1.00 . A A . 20 HIS N 1 1 17 5380 1 1 20 HIS ND1 N 0.736 10.205 -9.635 1.00 . A A . 20 HIS ND1 1 1 17 5381 1 1 20 HIS NE2 N -0.241 8.923 -8.223 1.00 . A A . 20 HIS NE2 1 1 17 5382 1 1 20 HIS O O 2.569 12.885 -8.813 1.00 . A A . 20 HIS O 1 1 17 5383 1 1 21 PHE C C 1.495 13.604 -5.178 1.00 . A A . 21 PHE C 1 1 17 5384 1 1 21 PHE CA C 1.100 12.883 -6.463 1.00 . A A . 21 PHE CA 1 1 17 5385 1 1 21 PHE CB C -0.258 12.202 -6.282 1.00 . A A . 21 PHE CB 1 1 17 5386 1 1 21 PHE CD1 C -1.424 13.000 -8.356 1.00 . A A . 21 PHE CD1 1 1 17 5387 1 1 21 PHE CD2 C -2.402 13.506 -6.241 1.00 . A A . 21 PHE CD2 1 1 17 5388 1 1 21 PHE CE1 C -2.459 13.656 -8.996 1.00 . A A . 21 PHE CE1 1 1 17 5389 1 1 21 PHE CE2 C -3.439 14.163 -6.875 1.00 . A A . 21 PHE CE2 1 1 17 5390 1 1 21 PHE CG C -1.385 12.917 -6.974 1.00 . A A . 21 PHE CG 1 1 17 5391 1 1 21 PHE CZ C -3.467 14.239 -8.255 1.00 . A A . 21 PHE CZ 1 1 17 5392 1 1 21 PHE H H 2.312 11.163 -6.229 1.00 . A A . 21 PHE H 1 1 17 5393 1 1 21 PHE HA H 1.027 13.607 -7.259 1.00 . A A . 21 PHE HA 1 1 17 5394 1 1 21 PHE HB2 H -0.207 11.201 -6.681 1.00 . A A . 21 PHE HB2 1 1 17 5395 1 1 21 PHE HB3 H -0.491 12.155 -5.229 1.00 . A A . 21 PHE HB3 1 1 17 5396 1 1 21 PHE HD1 H -0.635 12.543 -8.938 1.00 . A A . 21 PHE HD1 1 1 17 5397 1 1 21 PHE HD2 H -2.381 13.448 -5.163 1.00 . A A . 21 PHE HD2 1 1 17 5398 1 1 21 PHE HE1 H -2.476 13.713 -10.075 1.00 . A A . 21 PHE HE1 1 1 17 5399 1 1 21 PHE HE2 H -4.227 14.619 -6.293 1.00 . A A . 21 PHE HE2 1 1 17 5400 1 1 21 PHE HZ H -4.276 14.753 -8.752 1.00 . A A . 21 PHE HZ 1 1 17 5401 1 1 21 PHE N N 2.111 11.903 -6.841 1.00 . A A . 21 PHE N 1 1 17 5402 1 1 21 PHE O O 0.675 13.933 -4.356 1.00 . A A . 21 PHE O 1 1 17 5403 1 1 22 NH2 HN1 H 3.584 13.566 -5.745 1.00 . A A . 22 NH2 HN1 1 1 17 5404 1 1 22 NH2 HN2 H 3.284 14.349 -4.163 1.00 . A A . 22 NH2 HN2 1 1 17 5405 1 1 22 NH2 N N 2.975 13.883 -4.995 1.00 . A A . 22 NH2 N 1 1 17 5406 2 2 1 UNX UNK . -13.497 0.683 -12.273 1.00 . B A . 100 UNX UNK 1 1 18 5407 1 1 1 GLY C C -3.674 -15.948 0.643 1.00 . A A . 1 GLY C 1 1 18 5408 1 1 1 GLY CA C -3.399 -17.171 1.496 1.00 . A A . 1 GLY CA 1 1 18 5409 1 1 1 GLY H1 H -4.157 -19.085 1.148 1.00 . A A . 1 GLY H1 1 1 18 5410 1 1 1 GLY H2 H -3.731 -18.308 -0.224 1.00 . A A . 1 GLY H2 1 1 18 5411 1 1 1 GLY H3 H -2.764 -19.007 0.653 1.00 . A A . 1 GLY H3 1 1 18 5412 1 1 1 GLY HA2 H -4.092 -17.183 2.324 1.00 . A A . 1 GLY HA2 1 1 18 5413 1 1 1 GLY HA3 H -2.393 -17.105 1.883 1.00 . A A . 1 GLY HA3 1 1 18 5414 1 1 1 GLY N N -3.536 -18.409 0.752 1.00 . A A . 1 GLY N 1 1 18 5415 1 1 1 GLY O O -2.772 -15.421 -0.009 1.00 . A A . 1 GLY O 1 1 18 5416 1 1 2 LEU C C -4.692 -13.060 0.429 1.00 . A A . 2 LEU C 1 1 18 5417 1 1 2 LEU CA C -5.317 -14.331 -0.138 1.00 . A A . 2 LEU CA 1 1 18 5418 1 1 2 LEU CB C -6.841 -14.197 -0.160 1.00 . A A . 2 LEU CB 1 1 18 5419 1 1 2 LEU CD1 C -8.921 -15.594 -0.111 1.00 . A A . 2 LEU CD1 1 1 18 5420 1 1 2 LEU CD2 C -7.849 -15.031 -2.298 1.00 . A A . 2 LEU CD2 1 1 18 5421 1 1 2 LEU CG C -7.605 -15.340 -0.829 1.00 . A A . 2 LEU CG 1 1 18 5422 1 1 2 LEU H H -5.599 -15.960 1.182 1.00 . A A . 2 LEU H 1 1 18 5423 1 1 2 LEU HA H -4.961 -14.472 -1.147 1.00 . A A . 2 LEU HA 1 1 18 5424 1 1 2 LEU HB2 H -7.181 -14.124 0.860 1.00 . A A . 2 LEU HB2 1 1 18 5425 1 1 2 LEU HB3 H -7.083 -13.284 -0.685 1.00 . A A . 2 LEU HB3 1 1 18 5426 1 1 2 LEU HD11 H -9.657 -15.943 -0.819 1.00 . A A . 2 LEU HD11 1 1 18 5427 1 1 2 LEU HD12 H -9.266 -14.677 0.345 1.00 . A A . 2 LEU HD12 1 1 18 5428 1 1 2 LEU HD13 H -8.775 -16.343 0.656 1.00 . A A . 2 LEU HD13 1 1 18 5429 1 1 2 LEU HD21 H -8.805 -15.436 -2.597 1.00 . A A . 2 LEU HD21 1 1 18 5430 1 1 2 LEU HD22 H -7.066 -15.478 -2.896 1.00 . A A . 2 LEU HD22 1 1 18 5431 1 1 2 LEU HD23 H -7.849 -13.962 -2.447 1.00 . A A . 2 LEU HD23 1 1 18 5432 1 1 2 LEU HG H -7.013 -16.244 -0.770 1.00 . A A . 2 LEU HG 1 1 18 5433 1 1 2 LEU N N -4.924 -15.498 0.644 1.00 . A A . 2 LEU N 1 1 18 5434 1 1 2 LEU O O -3.824 -12.451 -0.195 1.00 . A A . 2 LEU O 1 1 18 5435 1 1 3 PHE C C -3.102 -11.529 2.391 1.00 . A A . 3 PHE C 1 1 18 5436 1 1 3 PHE CA C -4.622 -11.469 2.271 1.00 . A A . 3 PHE CA 1 1 18 5437 1 1 3 PHE CB C -5.249 -11.308 3.656 1.00 . A A . 3 PHE CB 1 1 18 5438 1 1 3 PHE CD1 C -5.271 -8.874 4.268 1.00 . A A . 3 PHE CD1 1 1 18 5439 1 1 3 PHE CD2 C -7.320 -9.892 3.596 1.00 . A A . 3 PHE CD2 1 1 18 5440 1 1 3 PHE CE1 C -5.922 -7.667 4.441 1.00 . A A . 3 PHE CE1 1 1 18 5441 1 1 3 PHE CE2 C -7.977 -8.687 3.767 1.00 . A A . 3 PHE CE2 1 1 18 5442 1 1 3 PHE CG C -5.960 -9.998 3.844 1.00 . A A . 3 PHE CG 1 1 18 5443 1 1 3 PHE CZ C -7.277 -7.574 4.191 1.00 . A A . 3 PHE CZ 1 1 18 5444 1 1 3 PHE H H -5.832 -13.194 2.067 1.00 . A A . 3 PHE H 1 1 18 5445 1 1 3 PHE HA H -4.890 -10.620 1.662 1.00 . A A . 3 PHE HA 1 1 18 5446 1 1 3 PHE HB2 H -5.966 -12.099 3.814 1.00 . A A . 3 PHE HB2 1 1 18 5447 1 1 3 PHE HB3 H -4.474 -11.376 4.404 1.00 . A A . 3 PHE HB3 1 1 18 5448 1 1 3 PHE HD1 H -4.210 -8.946 4.464 1.00 . A A . 3 PHE HD1 1 1 18 5449 1 1 3 PHE HD2 H -7.868 -10.761 3.265 1.00 . A A . 3 PHE HD2 1 1 18 5450 1 1 3 PHE HE1 H -5.372 -6.800 4.772 1.00 . A A . 3 PHE HE1 1 1 18 5451 1 1 3 PHE HE2 H -9.036 -8.617 3.571 1.00 . A A . 3 PHE HE2 1 1 18 5452 1 1 3 PHE HZ H -7.788 -6.633 4.324 1.00 . A A . 3 PHE HZ 1 1 18 5453 1 1 3 PHE N N -5.138 -12.667 1.618 1.00 . A A . 3 PHE N 1 1 18 5454 1 1 3 PHE O O -2.430 -10.499 2.416 1.00 . A A . 3 PHE O 1 1 18 5455 1 1 4 GLY C C -0.366 -12.148 1.527 1.00 . A A . 4 GLY C 1 1 18 5456 1 1 4 GLY CA C -1.130 -12.916 2.586 1.00 . A A . 4 GLY CA 1 1 18 5457 1 1 4 GLY H H -3.153 -13.530 2.444 1.00 . A A . 4 GLY H 1 1 18 5458 1 1 4 GLY HA2 H -0.817 -12.574 3.562 1.00 . A A . 4 GLY HA2 1 1 18 5459 1 1 4 GLY HA3 H -0.897 -13.966 2.492 1.00 . A A . 4 GLY HA3 1 1 18 5460 1 1 4 GLY N N -2.567 -12.743 2.468 1.00 . A A . 4 GLY N 1 1 18 5461 1 1 4 GLY O O 0.756 -11.698 1.764 1.00 . A A . 4 GLY O 1 1 18 5462 1 1 5 VAL C C -0.824 -9.834 -0.809 1.00 . A A . 5 VAL C 1 1 18 5463 1 1 5 VAL CA C -0.340 -11.278 -0.746 1.00 . A A . 5 VAL CA 1 1 18 5464 1 1 5 VAL CB C -0.621 -11.961 -2.099 1.00 . A A . 5 VAL CB 1 1 18 5465 1 1 5 VAL CG1 C 0.017 -11.177 -3.235 1.00 . A A . 5 VAL CG1 1 1 18 5466 1 1 5 VAL CG2 C -0.121 -13.398 -2.083 1.00 . A A . 5 VAL CG2 1 1 18 5467 1 1 5 VAL H H -1.865 -12.377 0.225 1.00 . A A . 5 VAL H 1 1 18 5468 1 1 5 VAL HA H 0.727 -11.283 -0.580 1.00 . A A . 5 VAL HA 1 1 18 5469 1 1 5 VAL HB H -1.690 -11.976 -2.256 1.00 . A A . 5 VAL HB 1 1 18 5470 1 1 5 VAL HG11 H 0.939 -10.733 -2.892 1.00 . A A . 5 VAL HG11 1 1 18 5471 1 1 5 VAL HG12 H 0.222 -11.843 -4.061 1.00 . A A . 5 VAL HG12 1 1 18 5472 1 1 5 VAL HG13 H -0.659 -10.400 -3.559 1.00 . A A . 5 VAL HG13 1 1 18 5473 1 1 5 VAL HG21 H 0.825 -13.443 -1.564 1.00 . A A . 5 VAL HG21 1 1 18 5474 1 1 5 VAL HG22 H -0.840 -14.024 -1.575 1.00 . A A . 5 VAL HG22 1 1 18 5475 1 1 5 VAL HG23 H 0.005 -13.745 -3.097 1.00 . A A . 5 VAL HG23 1 1 18 5476 1 1 5 VAL N N -0.972 -11.996 0.354 1.00 . A A . 5 VAL N 1 1 18 5477 1 1 5 VAL O O -0.146 -8.963 -1.358 1.00 . A A . 5 VAL O 1 1 18 5478 1 1 6 LEU C C -1.589 -7.232 0.340 1.00 . A A . 6 LEU C 1 1 18 5479 1 1 6 LEU CA C -2.575 -8.244 -0.233 1.00 . A A . 6 LEU CA 1 1 18 5480 1 1 6 LEU CB C -3.871 -8.230 0.580 1.00 . A A . 6 LEU CB 1 1 18 5481 1 1 6 LEU CD1 C -6.336 -8.646 0.750 1.00 . A A . 6 LEU CD1 1 1 18 5482 1 1 6 LEU CD2 C -5.414 -7.389 -1.206 1.00 . A A . 6 LEU CD2 1 1 18 5483 1 1 6 LEU CG C -5.157 -8.500 -0.199 1.00 . A A . 6 LEU CG 1 1 18 5484 1 1 6 LEU H H -2.492 -10.318 0.179 1.00 . A A . 6 LEU H 1 1 18 5485 1 1 6 LEU HA H -2.798 -7.972 -1.254 1.00 . A A . 6 LEU HA 1 1 18 5486 1 1 6 LEU HB2 H -3.786 -8.982 1.350 1.00 . A A . 6 LEU HB2 1 1 18 5487 1 1 6 LEU HB3 H -3.960 -7.255 1.041 1.00 . A A . 6 LEU HB3 1 1 18 5488 1 1 6 LEU HD11 H -7.153 -8.030 0.406 1.00 . A A . 6 LEU HD11 1 1 18 5489 1 1 6 LEU HD12 H -6.042 -8.333 1.740 1.00 . A A . 6 LEU HD12 1 1 18 5490 1 1 6 LEU HD13 H -6.651 -9.679 0.777 1.00 . A A . 6 LEU HD13 1 1 18 5491 1 1 6 LEU HD21 H -4.752 -7.509 -2.051 1.00 . A A . 6 LEU HD21 1 1 18 5492 1 1 6 LEU HD22 H -5.232 -6.431 -0.740 1.00 . A A . 6 LEU HD22 1 1 18 5493 1 1 6 LEU HD23 H -6.439 -7.437 -1.541 1.00 . A A . 6 LEU HD23 1 1 18 5494 1 1 6 LEU HG H -5.051 -9.428 -0.745 1.00 . A A . 6 LEU HG 1 1 18 5495 1 1 6 LEU N N -1.999 -9.584 -0.243 1.00 . A A . 6 LEU N 1 1 18 5496 1 1 6 LEU O O -1.629 -6.050 0.000 1.00 . A A . 6 LEU O 1 1 18 5497 1 1 7 ALA C C 1.174 -6.176 0.774 1.00 . A A . 7 ALA C 1 1 18 5498 1 1 7 ALA CA C 0.296 -6.842 1.829 1.00 . A A . 7 ALA CA 1 1 18 5499 1 1 7 ALA CB C 1.152 -7.639 2.803 1.00 . A A . 7 ALA CB 1 1 18 5500 1 1 7 ALA H H -0.721 -8.656 1.442 1.00 . A A . 7 ALA H 1 1 18 5501 1 1 7 ALA HA H -0.223 -6.076 2.386 1.00 . A A . 7 ALA HA 1 1 18 5502 1 1 7 ALA HB1 H 1.192 -8.671 2.485 1.00 . A A . 7 ALA HB1 1 1 18 5503 1 1 7 ALA HB2 H 2.150 -7.229 2.824 1.00 . A A . 7 ALA HB2 1 1 18 5504 1 1 7 ALA HB3 H 0.718 -7.583 3.791 1.00 . A A . 7 ALA HB3 1 1 18 5505 1 1 7 ALA N N -0.704 -7.705 1.211 1.00 . A A . 7 ALA N 1 1 18 5506 1 1 7 ALA O O 1.688 -5.078 0.983 1.00 . A A . 7 ALA O 1 1 18 5507 1 1 8 LYS C C 1.598 -4.997 -1.954 1.00 . A A . 8 LYS C 1 1 18 5508 1 1 8 LYS CA C 2.157 -6.323 -1.448 1.00 . A A . 8 LYS CA 1 1 18 5509 1 1 8 LYS CB C 2.224 -7.332 -2.596 1.00 . A A . 8 LYS CB 1 1 18 5510 1 1 8 LYS CD C 3.497 -7.303 -4.762 1.00 . A A . 8 LYS CD 1 1 18 5511 1 1 8 LYS CE C 4.588 -8.107 -5.453 1.00 . A A . 8 LYS CE 1 1 18 5512 1 1 8 LYS CG C 3.592 -7.421 -3.250 1.00 . A A . 8 LYS CG 1 1 18 5513 1 1 8 LYS H H 0.907 -7.721 -0.467 1.00 . A A . 8 LYS H 1 1 18 5514 1 1 8 LYS HA H 3.154 -6.158 -1.066 1.00 . A A . 8 LYS HA 1 1 18 5515 1 1 8 LYS HB2 H 1.966 -8.310 -2.215 1.00 . A A . 8 LYS HB2 1 1 18 5516 1 1 8 LYS HB3 H 1.505 -7.048 -3.352 1.00 . A A . 8 LYS HB3 1 1 18 5517 1 1 8 LYS HD2 H 2.535 -7.671 -5.083 1.00 . A A . 8 LYS HD2 1 1 18 5518 1 1 8 LYS HD3 H 3.598 -6.263 -5.040 1.00 . A A . 8 LYS HD3 1 1 18 5519 1 1 8 LYS HE2 H 4.891 -7.585 -6.347 1.00 . A A . 8 LYS HE2 1 1 18 5520 1 1 8 LYS HE3 H 5.430 -8.196 -4.784 1.00 . A A . 8 LYS HE3 1 1 18 5521 1 1 8 LYS HG2 H 4.213 -6.620 -2.875 1.00 . A A . 8 LYS HG2 1 1 18 5522 1 1 8 LYS HG3 H 4.040 -8.373 -2.999 1.00 . A A . 8 LYS HG3 1 1 18 5523 1 1 8 LYS HZ1 H 4.237 -10.121 -5.020 1.00 . A A . 8 LYS HZ1 1 1 18 5524 1 1 8 LYS HZ2 H 4.670 -9.831 -6.630 1.00 . A A . 8 LYS HZ2 1 1 18 5525 1 1 8 LYS HZ3 H 3.114 -9.445 -6.090 1.00 . A A . 8 LYS HZ3 1 1 18 5526 1 1 8 LYS N N 1.343 -6.849 -0.359 1.00 . A A . 8 LYS N 1 1 18 5527 1 1 8 LYS NZ N 4.119 -9.472 -5.824 1.00 . A A . 8 LYS NZ 1 1 18 5528 1 1 8 LYS O O 2.305 -4.219 -2.596 1.00 . A A . 8 LYS O 1 1 18 5529 1 1 9 VAL C C -1.128 -2.895 -0.944 1.00 . A A . 9 VAL C 1 1 18 5530 1 1 9 VAL CA C -0.325 -3.511 -2.084 1.00 . A A . 9 VAL CA 1 1 18 5531 1 1 9 VAL CB C -1.261 -3.755 -3.283 1.00 . A A . 9 VAL CB 1 1 18 5532 1 1 9 VAL CG1 C -2.469 -4.577 -2.859 1.00 . A A . 9 VAL CG1 1 1 18 5533 1 1 9 VAL CG2 C -1.695 -2.432 -3.897 1.00 . A A . 9 VAL CG2 1 1 18 5534 1 1 9 VAL H H -0.184 -5.403 -1.146 1.00 . A A . 9 VAL H 1 1 18 5535 1 1 9 VAL HA H 0.442 -2.815 -2.389 1.00 . A A . 9 VAL HA 1 1 18 5536 1 1 9 VAL HB H -0.718 -4.314 -4.030 1.00 . A A . 9 VAL HB 1 1 18 5537 1 1 9 VAL HG11 H -2.544 -5.454 -3.485 1.00 . A A . 9 VAL HG11 1 1 18 5538 1 1 9 VAL HG12 H -2.357 -4.876 -1.827 1.00 . A A . 9 VAL HG12 1 1 18 5539 1 1 9 VAL HG13 H -3.364 -3.982 -2.966 1.00 . A A . 9 VAL HG13 1 1 18 5540 1 1 9 VAL HG21 H -2.577 -2.072 -3.388 1.00 . A A . 9 VAL HG21 1 1 18 5541 1 1 9 VAL HG22 H -0.900 -1.709 -3.793 1.00 . A A . 9 VAL HG22 1 1 18 5542 1 1 9 VAL HG23 H -1.915 -2.576 -4.944 1.00 . A A . 9 VAL HG23 1 1 18 5543 1 1 9 VAL N N 0.327 -4.745 -1.660 1.00 . A A . 9 VAL N 1 1 18 5544 1 1 9 VAL O O -2.230 -2.387 -1.150 1.00 . A A . 9 VAL O 1 1 18 5545 1 1 10 ALA C C -0.229 -2.124 2.556 1.00 . A A . 10 ALA C 1 1 18 5546 1 1 10 ALA CA C -1.228 -2.385 1.433 1.00 . A A . 10 ALA CA 1 1 18 5547 1 1 10 ALA CB C -2.329 -3.320 1.911 1.00 . A A . 10 ALA CB 1 1 18 5548 1 1 10 ALA H H 0.314 -3.359 0.361 1.00 . A A . 10 ALA H 1 1 18 5549 1 1 10 ALA HA H -1.685 -1.448 1.147 1.00 . A A . 10 ALA HA 1 1 18 5550 1 1 10 ALA HB1 H -2.372 -3.301 2.991 1.00 . A A . 10 ALA HB1 1 1 18 5551 1 1 10 ALA HB2 H -3.277 -2.997 1.508 1.00 . A A . 10 ALA HB2 1 1 18 5552 1 1 10 ALA HB3 H -2.118 -4.325 1.577 1.00 . A A . 10 ALA HB3 1 1 18 5553 1 1 10 ALA N N -0.567 -2.942 0.260 1.00 . A A . 10 ALA N 1 1 18 5554 1 1 10 ALA O O 0.097 -3.055 3.266 1.00 . A A . 10 ALA O 1 1 18 5555 1 1 11 . C C 2.477 0.512 3.020 1.00 . A A . 11 I4G C 1 1 18 5556 1 1 11 . CA C 1.348 -0.280 3.630 1.00 . A A . 11 I4G CA 1 1 18 5557 1 1 11 . CB C -0.149 0.406 1.790 1.00 . A A . 11 I4G CB 1 1 18 5558 1 1 11 . CD1 C -2.292 0.266 3.184 1.00 . A A . 11 I4G CD1 1 1 18 5559 1 1 11 . CD2 C -0.828 2.321 3.296 1.00 . A A . 11 I4G CD2 1 1 18 5560 1 1 11 . CG C -1.346 1.193 2.382 1.00 . A A . 11 I4G CG 1 1 18 5561 1 1 11 . HA2 H 1.723 -1.117 4.029 1.00 . A A . 11 I4G HA2 1 1 18 5562 1 1 11 . HA3 H 0.922 0.270 4.349 1.00 . A A . 11 I4G HA3 1 1 18 5563 1 1 11 . HB2 H -0.409 -0.007 0.918 1.00 . A A . 11 I4G HB2 1 1 18 5564 1 1 11 . HB3 H 0.628 1.019 1.651 1.00 . A A . 11 I4G HB3 1 1 18 5565 1 1 11 . HD11 H -3.112 0.840 3.618 1.00 . A A . 11 I4G HD11 1 1 18 5566 1 1 11 . HD12 H -2.719 -0.501 2.538 1.00 . A A . 11 I4G HD12 1 1 18 5567 1 1 11 . HD13 H -1.747 -0.229 3.991 1.00 . A A . 11 I4G HD13 1 1 18 5568 1 1 11 . HD21 H -1.660 2.901 3.702 1.00 . A A . 11 I4G HD21 1 1 18 5569 1 1 11 . HD22 H -0.254 1.910 4.130 1.00 . A A . 11 I4G HD22 1 1 18 5570 1 1 11 . HD23 H -0.181 3.001 2.737 1.00 . A A . 11 I4G HD23 1 1 18 5571 1 1 11 . HG H -1.913 1.650 1.568 1.00 . A A . 11 I4G HG 1 1 18 5572 1 1 11 . N N 0.287 -0.675 2.686 1.00 . A A . 11 I4G N 1 1 18 5573 1 1 11 . O O 2.961 1.500 3.576 1.00 . A A . 11 I4G O 1 1 18 5574 1 1 12 HIS C C 3.375 1.503 -0.114 1.00 . A A . 12 HIS C 1 1 18 5575 1 1 12 HIS CA C 3.942 0.759 1.091 1.00 . A A . 12 HIS CA 1 1 18 5576 1 1 12 HIS CB C 4.997 -0.248 0.633 1.00 . A A . 12 HIS CB 1 1 18 5577 1 1 12 HIS CD2 C 3.550 -1.451 -1.152 1.00 . A A . 12 HIS CD2 1 1 18 5578 1 1 12 HIS CE1 C 5.049 -1.581 -2.747 1.00 . A A . 12 HIS CE1 1 1 18 5579 1 1 12 HIS CG C 4.686 -0.881 -0.690 1.00 . A A . 12 HIS CG 1 1 18 5580 1 1 12 HIS H H 2.458 -0.711 1.438 1.00 . A A . 12 HIS H 1 1 18 5581 1 1 12 HIS HA H 4.404 1.474 1.755 1.00 . A A . 12 HIS HA 1 1 18 5582 1 1 12 HIS HB2 H 5.950 0.254 0.543 1.00 . A A . 12 HIS HB2 1 1 18 5583 1 1 12 HIS HB3 H 5.078 -1.036 1.368 1.00 . A A . 12 HIS HB3 1 1 18 5584 1 1 12 HIS HD1 H 6.531 -0.653 -1.683 1.00 . A A . 12 HIS HD1 1 1 18 5585 1 1 12 HIS HD2 H 2.617 -1.552 -0.615 1.00 . A A . 12 HIS HD2 1 1 18 5586 1 1 12 HIS HE1 H 5.530 -1.794 -3.689 1.00 . A A . 12 HIS HE1 1 1 18 5587 1 1 12 HIS N N 2.883 0.081 1.829 1.00 . A A . 12 HIS N 1 1 18 5588 1 1 12 HIS ND1 N 5.607 -0.979 -1.711 1.00 . A A . 12 HIS ND1 1 1 18 5589 1 1 12 HIS NE2 N 3.801 -1.879 -2.433 1.00 . A A . 12 HIS NE2 1 1 18 5590 1 1 12 HIS O O 4.037 2.363 -0.694 1.00 . A A . 12 HIS O 1 1 18 5591 1 1 13 VAL C C 1.542 3.322 -1.507 1.00 . A A . 13 VAL C 1 1 18 5592 1 1 13 VAL CA C 1.486 1.802 -1.621 1.00 . A A . 13 VAL CA 1 1 18 5593 1 1 13 VAL CB C 0.015 1.361 -1.738 1.00 . A A . 13 VAL CB 1 1 18 5594 1 1 13 VAL CG1 C -0.665 2.071 -2.898 1.00 . A A . 13 VAL CG1 1 1 18 5595 1 1 13 VAL CG2 C -0.076 -0.149 -1.899 1.00 . A A . 13 VAL CG2 1 1 18 5596 1 1 13 VAL H H 1.665 0.474 0.017 1.00 . A A . 13 VAL H 1 1 18 5597 1 1 13 VAL HA H 2.004 1.499 -2.519 1.00 . A A . 13 VAL HA 1 1 18 5598 1 1 13 VAL HB H -0.495 1.636 -0.827 1.00 . A A . 13 VAL HB 1 1 18 5599 1 1 13 VAL HG11 H -1.443 1.439 -3.300 1.00 . A A . 13 VAL HG11 1 1 18 5600 1 1 13 VAL HG12 H -1.096 2.999 -2.551 1.00 . A A . 13 VAL HG12 1 1 18 5601 1 1 13 VAL HG13 H 0.063 2.279 -3.669 1.00 . A A . 13 VAL HG13 1 1 18 5602 1 1 13 VAL HG21 H 0.407 -0.442 -2.819 1.00 . A A . 13 VAL HG21 1 1 18 5603 1 1 13 VAL HG22 H 0.415 -0.630 -1.066 1.00 . A A . 13 VAL HG22 1 1 18 5604 1 1 13 VAL HG23 H -1.114 -0.446 -1.926 1.00 . A A . 13 VAL HG23 1 1 18 5605 1 1 13 VAL N N 2.143 1.166 -0.486 1.00 . A A . 13 VAL N 1 1 18 5606 1 1 13 VAL O O 2.059 4.003 -2.393 1.00 . A A . 13 VAL O 1 1 18 5607 1 1 14 VAL C C 2.388 5.883 -0.358 1.00 . A A . 14 VAL C 1 1 18 5608 1 1 14 VAL CA C 0.995 5.288 -0.180 1.00 . A A . 14 VAL CA 1 1 18 5609 1 1 14 VAL CB C 0.482 5.625 1.233 1.00 . A A . 14 VAL CB 1 1 18 5610 1 1 14 VAL CG1 C 0.547 7.125 1.479 1.00 . A A . 14 VAL CG1 1 1 18 5611 1 1 14 VAL CG2 C -0.935 5.105 1.423 1.00 . A A . 14 VAL CG2 1 1 18 5612 1 1 14 VAL H H 0.609 3.254 0.259 1.00 . A A . 14 VAL H 1 1 18 5613 1 1 14 VAL HA H 0.327 5.737 -0.900 1.00 . A A . 14 VAL HA 1 1 18 5614 1 1 14 VAL HB H 1.122 5.137 1.953 1.00 . A A . 14 VAL HB 1 1 18 5615 1 1 14 VAL HG11 H 1.416 7.354 2.078 1.00 . A A . 14 VAL HG11 1 1 18 5616 1 1 14 VAL HG12 H 0.611 7.644 0.535 1.00 . A A . 14 VAL HG12 1 1 18 5617 1 1 14 VAL HG13 H -0.343 7.442 2.005 1.00 . A A . 14 VAL HG13 1 1 18 5618 1 1 14 VAL HG21 H -1.633 5.789 0.962 1.00 . A A . 14 VAL HG21 1 1 18 5619 1 1 14 VAL HG22 H -1.027 4.133 0.962 1.00 . A A . 14 VAL HG22 1 1 18 5620 1 1 14 VAL HG23 H -1.152 5.026 2.477 1.00 . A A . 14 VAL HG23 1 1 18 5621 1 1 14 VAL N N 1.006 3.848 -0.411 1.00 . A A . 14 VAL N 1 1 18 5622 1 1 14 VAL O O 2.535 7.037 -0.757 1.00 . A A . 14 VAL O 1 1 18 5623 1 1 15 GLY C C 5.138 5.885 -1.627 1.00 . A A . 15 GLY C 1 1 18 5624 1 1 15 GLY CA C 4.778 5.551 -0.192 1.00 . A A . 15 GLY CA 1 1 18 5625 1 1 15 GLY H H 3.232 4.174 0.256 1.00 . A A . 15 GLY H 1 1 18 5626 1 1 15 GLY HA2 H 4.907 6.433 0.415 1.00 . A A . 15 GLY HA2 1 1 18 5627 1 1 15 GLY HA3 H 5.444 4.780 0.163 1.00 . A A . 15 GLY HA3 1 1 18 5628 1 1 15 GLY N N 3.409 5.085 -0.059 1.00 . A A . 15 GLY N 1 1 18 5629 1 1 15 GLY O O 5.951 6.775 -1.879 1.00 . A A . 15 GLY O 1 1 18 5630 1 1 16 ALA C C 3.761 6.335 -4.593 1.00 . A A . 16 ALA C 1 1 18 5631 1 1 16 ALA CA C 4.797 5.395 -3.985 1.00 . A A . 16 ALA CA 1 1 18 5632 1 1 16 ALA CB C 4.815 4.071 -4.737 1.00 . A A . 16 ALA CB 1 1 18 5633 1 1 16 ALA H H 3.897 4.473 -2.306 1.00 . A A . 16 ALA H 1 1 18 5634 1 1 16 ALA HA H 5.775 5.845 -4.076 1.00 . A A . 16 ALA HA 1 1 18 5635 1 1 16 ALA HB1 H 5.105 4.244 -5.763 1.00 . A A . 16 ALA HB1 1 1 18 5636 1 1 16 ALA HB2 H 5.522 3.402 -4.270 1.00 . A A . 16 ALA HB2 1 1 18 5637 1 1 16 ALA HB3 H 3.829 3.629 -4.710 1.00 . A A . 16 ALA HB3 1 1 18 5638 1 1 16 ALA N N 4.534 5.168 -2.570 1.00 . A A . 16 ALA N 1 1 18 5639 1 1 16 ALA O O 4.104 7.246 -5.346 1.00 . A A . 16 ALA O 1 1 18 5640 1 1 17 ILE C C 1.635 8.406 -4.436 1.00 . A A . 17 ILE C 1 1 18 5641 1 1 17 ILE CA C 1.410 6.936 -4.773 1.00 . A A . 17 ILE CA 1 1 18 5642 1 1 17 ILE CB C 0.048 6.493 -4.206 1.00 . A A . 17 ILE CB 1 1 18 5643 1 1 17 ILE CD1 C -0.187 4.726 -6.021 1.00 . A A . 17 ILE CD1 1 1 18 5644 1 1 17 ILE CG1 C -0.214 5.023 -4.538 1.00 . A A . 17 ILE CG1 1 1 18 5645 1 1 17 ILE CG2 C -1.065 7.373 -4.754 1.00 . A A . 17 ILE CG2 1 1 18 5646 1 1 17 ILE H H 2.285 5.365 -3.655 1.00 . A A . 17 ILE H 1 1 18 5647 1 1 17 ILE HA H 1.384 6.822 -5.846 1.00 . A A . 17 ILE HA 1 1 18 5648 1 1 17 ILE HB H 0.074 6.613 -3.133 1.00 . A A . 17 ILE HB 1 1 18 5649 1 1 17 ILE HD11 H -0.250 5.650 -6.576 1.00 . A A . 17 ILE HD11 1 1 18 5650 1 1 17 ILE HD12 H 0.734 4.218 -6.270 1.00 . A A . 17 ILE HD12 1 1 18 5651 1 1 17 ILE HD13 H -1.025 4.094 -6.278 1.00 . A A . 17 ILE HD13 1 1 18 5652 1 1 17 ILE HG12 H 0.538 4.413 -4.064 1.00 . A A . 17 ILE HG12 1 1 18 5653 1 1 17 ILE HG13 H -1.188 4.745 -4.161 1.00 . A A . 17 ILE HG13 1 1 18 5654 1 1 17 ILE HG21 H -1.237 8.198 -4.078 1.00 . A A . 17 ILE HG21 1 1 18 5655 1 1 17 ILE HG22 H -0.777 7.756 -5.721 1.00 . A A . 17 ILE HG22 1 1 18 5656 1 1 17 ILE HG23 H -1.969 6.792 -4.850 1.00 . A A . 17 ILE HG23 1 1 18 5657 1 1 17 ILE N N 2.495 6.107 -4.260 1.00 . A A . 17 ILE N 1 1 18 5658 1 1 17 ILE O O 1.324 9.290 -5.233 1.00 . A A . 17 ILE O 1 1 18 5659 1 1 18 ALA C C 3.652 10.608 -3.543 1.00 . A A . 18 ALA C 1 1 18 5660 1 1 18 ALA CA C 2.451 10.023 -2.810 1.00 . A A . 18 ALA CA 1 1 18 5661 1 1 18 ALA CB C 2.679 10.056 -1.306 1.00 . A A . 18 ALA CB 1 1 18 5662 1 1 18 ALA H H 2.406 7.912 -2.659 1.00 . A A . 18 ALA H 1 1 18 5663 1 1 18 ALA HA H 1.580 10.623 -3.030 1.00 . A A . 18 ALA HA 1 1 18 5664 1 1 18 ALA HB1 H 1.791 9.707 -0.801 1.00 . A A . 18 ALA HB1 1 1 18 5665 1 1 18 ALA HB2 H 3.512 9.416 -1.055 1.00 . A A . 18 ALA HB2 1 1 18 5666 1 1 18 ALA HB3 H 2.896 11.067 -0.998 1.00 . A A . 18 ALA HB3 1 1 18 5667 1 1 18 ALA N N 2.180 8.660 -3.251 1.00 . A A . 18 ALA N 1 1 18 5668 1 1 18 ALA O O 3.919 11.806 -3.460 1.00 . A A . 18 ALA O 1 1 18 5669 1 1 19 GLU C C 5.146 10.914 -6.286 1.00 . A A . 19 GLU C 1 1 18 5670 1 1 19 GLU CA C 5.552 10.187 -5.006 1.00 . A A . 19 GLU CA 1 1 18 5671 1 1 19 GLU CB C 6.438 8.988 -5.347 1.00 . A A . 19 GLU CB 1 1 18 5672 1 1 19 GLU CD C 8.263 9.720 -6.934 1.00 . A A . 19 GLU CD 1 1 18 5673 1 1 19 GLU CG C 7.906 9.342 -5.509 1.00 . A A . 19 GLU CG 1 1 18 5674 1 1 19 GLU H H 4.114 8.809 -4.288 1.00 . A A . 19 GLU H 1 1 18 5675 1 1 19 GLU HA H 6.108 10.868 -4.381 1.00 . A A . 19 GLU HA 1 1 18 5676 1 1 19 GLU HB2 H 6.350 8.255 -4.559 1.00 . A A . 19 GLU HB2 1 1 18 5677 1 1 19 GLU HB3 H 6.091 8.551 -6.273 1.00 . A A . 19 GLU HB3 1 1 18 5678 1 1 19 GLU HG2 H 8.135 10.178 -4.864 1.00 . A A . 19 GLU HG2 1 1 18 5679 1 1 19 GLU HG3 H 8.504 8.491 -5.218 1.00 . A A . 19 GLU HG3 1 1 18 5680 1 1 19 GLU N N 4.376 9.753 -4.260 1.00 . A A . 19 GLU N 1 1 18 5681 1 1 19 GLU O O 5.625 12.013 -6.567 1.00 . A A . 19 GLU O 1 1 18 5682 1 1 19 GLU OE1 O 8.167 10.919 -7.270 1.00 . A A . 19 GLU OE1 1 1 18 5683 1 1 19 GLU OE2 O 8.636 8.817 -7.711 1.00 . A A . 19 GLU OE2 1 1 18 5684 1 1 20 HIS C C 2.761 11.973 -8.041 1.00 . A A . 20 HIS C 1 1 18 5685 1 1 20 HIS CA C 3.790 10.878 -8.307 1.00 . A A . 20 HIS CA 1 1 18 5686 1 1 20 HIS CB C 3.183 9.800 -9.205 1.00 . A A . 20 HIS CB 1 1 18 5687 1 1 20 HIS CD2 C 1.104 8.757 -8.057 1.00 . A A . 20 HIS CD2 1 1 18 5688 1 1 20 HIS CE1 C -0.449 9.776 -9.223 1.00 . A A . 20 HIS CE1 1 1 18 5689 1 1 20 HIS CG C 1.727 9.560 -8.953 1.00 . A A . 20 HIS CG 1 1 18 5690 1 1 20 HIS H H 3.915 9.418 -6.780 1.00 . A A . 20 HIS H 1 1 18 5691 1 1 20 HIS HA H 4.640 11.315 -8.810 1.00 . A A . 20 HIS HA 1 1 18 5692 1 1 20 HIS HB2 H 3.295 10.095 -10.238 1.00 . A A . 20 HIS HB2 1 1 18 5693 1 1 20 HIS HB3 H 3.707 8.869 -9.043 1.00 . A A . 20 HIS HB3 1 1 18 5694 1 1 20 HIS HD1 H 0.857 10.829 -10.392 1.00 . A A . 20 HIS HD1 1 1 18 5695 1 1 20 HIS HD2 H 1.580 8.116 -7.330 1.00 . A A . 20 HIS HD2 1 1 18 5696 1 1 20 HIS HE1 H -1.411 10.096 -9.593 1.00 . A A . 20 HIS HE1 1 1 18 5697 1 1 20 HIS N N 4.260 10.291 -7.058 1.00 . A A . 20 HIS N 1 1 18 5698 1 1 20 HIS ND1 N 0.726 10.183 -9.668 1.00 . A A . 20 HIS ND1 1 1 18 5699 1 1 20 HIS NE2 N -0.248 8.910 -8.245 1.00 . A A . 20 HIS NE2 1 1 18 5700 1 1 20 HIS O O 2.565 12.868 -8.862 1.00 . A A . 20 HIS O 1 1 18 5701 1 1 21 PHE C C 1.491 13.600 -5.228 1.00 . A A . 21 PHE C 1 1 18 5702 1 1 21 PHE CA C 1.096 12.876 -6.513 1.00 . A A . 21 PHE CA 1 1 18 5703 1 1 21 PHE CB C -0.264 12.198 -6.331 1.00 . A A . 21 PHE CB 1 1 18 5704 1 1 21 PHE CD1 C -1.517 14.280 -6.958 1.00 . A A . 21 PHE CD1 1 1 18 5705 1 1 21 PHE CD2 C -2.306 12.190 -7.789 1.00 . A A . 21 PHE CD2 1 1 18 5706 1 1 21 PHE CE1 C -2.547 14.932 -7.607 1.00 . A A . 21 PHE CE1 1 1 18 5707 1 1 21 PHE CE2 C -3.339 12.836 -8.442 1.00 . A A . 21 PHE CE2 1 1 18 5708 1 1 21 PHE CG C -1.385 12.903 -7.040 1.00 . A A . 21 PHE CG 1 1 18 5709 1 1 21 PHE CZ C -3.459 14.209 -8.352 1.00 . A A . 21 PHE CZ 1 1 18 5710 1 1 21 PHE H H 2.307 11.156 -6.273 1.00 . A A . 21 PHE H 1 1 18 5711 1 1 21 PHE HA H 1.025 13.599 -7.311 1.00 . A A . 21 PHE HA 1 1 18 5712 1 1 21 PHE HB2 H -0.209 11.191 -6.717 1.00 . A A . 21 PHE HB2 1 1 18 5713 1 1 21 PHE HB3 H -0.504 12.164 -5.280 1.00 . A A . 21 PHE HB3 1 1 18 5714 1 1 21 PHE HD1 H -0.803 14.847 -6.377 1.00 . A A . 21 PHE HD1 1 1 18 5715 1 1 21 PHE HD2 H -2.213 11.115 -7.860 1.00 . A A . 21 PHE HD2 1 1 18 5716 1 1 21 PHE HE1 H -2.639 16.005 -7.536 1.00 . A A . 21 PHE HE1 1 1 18 5717 1 1 21 PHE HE2 H -4.050 12.267 -9.022 1.00 . A A . 21 PHE HE2 1 1 18 5718 1 1 21 PHE HZ H -4.266 14.715 -8.861 1.00 . A A . 21 PHE HZ 1 1 18 5719 1 1 21 PHE N N 2.106 11.894 -6.887 1.00 . A A . 21 PHE N 1 1 18 5720 1 1 21 PHE O O 0.669 13.945 -4.415 1.00 . A A . 21 PHE O 1 1 18 5721 1 1 22 NH2 HN1 H 3.584 13.529 -5.778 1.00 . A A . 22 NH2 HN1 1 1 18 5722 1 1 22 NH2 HN2 H 3.282 14.326 -4.204 1.00 . A A . 22 NH2 HN2 1 1 18 5723 1 1 22 NH2 N N 2.973 13.858 -5.036 1.00 . A A . 22 NH2 N 1 1 18 5724 2 2 1 UNX UNK . -13.518 0.654 -12.214 1.00 . B A . 100 UNX UNK 1 1 19 5725 1 1 1 GLY C C -3.768 -16.190 0.263 1.00 . A A . 1 GLY C 1 1 19 5726 1 1 1 GLY CA C -3.547 -17.400 1.150 1.00 . A A . 1 GLY CA 1 1 19 5727 1 1 1 GLY H1 H -3.118 -17.637 3.180 1.00 . A A . 1 GLY H1 1 1 19 5728 1 1 1 GLY H2 H -1.892 -16.956 2.343 1.00 . A A . 1 GLY H2 1 1 19 5729 1 1 1 GLY H3 H -3.068 -16.201 2.827 1.00 . A A . 1 GLY H3 1 1 19 5730 1 1 1 GLY HA2 H -2.943 -18.119 0.617 1.00 . A A . 1 GLY HA2 1 1 19 5731 1 1 1 GLY HA3 H -4.504 -17.847 1.375 1.00 . A A . 1 GLY HA3 1 1 19 5732 1 1 1 GLY N N -2.885 -17.062 2.396 1.00 . A A . 1 GLY N 1 1 19 5733 1 1 1 GLY O O -2.889 -15.810 -0.510 1.00 . A A . 1 GLY O 1 1 19 5734 1 1 2 LEU C C -4.680 -13.149 0.182 1.00 . A A . 2 LEU C 1 1 19 5735 1 1 2 LEU CA C -5.281 -14.412 -0.426 1.00 . A A . 2 LEU CA 1 1 19 5736 1 1 2 LEU CB C -6.799 -14.265 -0.539 1.00 . A A . 2 LEU CB 1 1 19 5737 1 1 2 LEU CD1 C -7.314 -15.159 -2.823 1.00 . A A . 2 LEU CD1 1 1 19 5738 1 1 2 LEU CD2 C -8.750 -13.368 -1.833 1.00 . A A . 2 LEU CD2 1 1 19 5739 1 1 2 LEU CG C -7.339 -13.929 -1.930 1.00 . A A . 2 LEU CG 1 1 19 5740 1 1 2 LEU H H -5.606 -15.935 1.007 1.00 . A A . 2 LEU H 1 1 19 5741 1 1 2 LEU HA H -4.866 -14.555 -1.413 1.00 . A A . 2 LEU HA 1 1 19 5742 1 1 2 LEU HB2 H -7.246 -15.196 -0.227 1.00 . A A . 2 LEU HB2 1 1 19 5743 1 1 2 LEU HB3 H -7.105 -13.476 0.135 1.00 . A A . 2 LEU HB3 1 1 19 5744 1 1 2 LEU HD11 H -8.291 -15.617 -2.835 1.00 . A A . 2 LEU HD11 1 1 19 5745 1 1 2 LEU HD12 H -6.590 -15.866 -2.443 1.00 . A A . 2 LEU HD12 1 1 19 5746 1 1 2 LEU HD13 H -7.039 -14.870 -3.827 1.00 . A A . 2 LEU HD13 1 1 19 5747 1 1 2 LEU HD21 H -8.886 -12.901 -0.868 1.00 . A A . 2 LEU HD21 1 1 19 5748 1 1 2 LEU HD22 H -9.465 -14.169 -1.949 1.00 . A A . 2 LEU HD22 1 1 19 5749 1 1 2 LEU HD23 H -8.901 -12.635 -2.612 1.00 . A A . 2 LEU HD23 1 1 19 5750 1 1 2 LEU HG H -6.709 -13.176 -2.382 1.00 . A A . 2 LEU HG 1 1 19 5751 1 1 2 LEU N N -4.945 -15.586 0.374 1.00 . A A . 2 LEU N 1 1 19 5752 1 1 2 LEU O O -3.856 -12.479 -0.442 1.00 . A A . 2 LEU O 1 1 19 5753 1 1 3 PHE C C -3.075 -11.691 2.218 1.00 . A A . 3 PHE C 1 1 19 5754 1 1 3 PHE CA C -4.596 -11.649 2.096 1.00 . A A . 3 PHE CA 1 1 19 5755 1 1 3 PHE CB C -5.228 -11.542 3.486 1.00 . A A . 3 PHE CB 1 1 19 5756 1 1 3 PHE CD1 C -5.231 -9.150 4.243 1.00 . A A . 3 PHE CD1 1 1 19 5757 1 1 3 PHE CD2 C -7.273 -10.088 3.444 1.00 . A A . 3 PHE CD2 1 1 19 5758 1 1 3 PHE CE1 C -5.869 -7.945 4.467 1.00 . A A . 3 PHE CE1 1 1 19 5759 1 1 3 PHE CE2 C -7.916 -8.885 3.666 1.00 . A A . 3 PHE CE2 1 1 19 5760 1 1 3 PHE CG C -5.924 -10.234 3.729 1.00 . A A . 3 PHE CG 1 1 19 5761 1 1 3 PHE CZ C -7.213 -7.812 4.179 1.00 . A A . 3 PHE CZ 1 1 19 5762 1 1 3 PHE H H -5.753 -13.405 1.849 1.00 . A A . 3 PHE H 1 1 19 5763 1 1 3 PHE HA H -4.875 -10.783 1.516 1.00 . A A . 3 PHE HA 1 1 19 5764 1 1 3 PHE HB2 H -5.955 -12.332 3.605 1.00 . A A . 3 PHE HB2 1 1 19 5765 1 1 3 PHE HB3 H -4.456 -11.653 4.233 1.00 . A A . 3 PHE HB3 1 1 19 5766 1 1 3 PHE HD1 H -4.179 -9.252 4.469 1.00 . A A . 3 PHE HD1 1 1 19 5767 1 1 3 PHE HD2 H -7.823 -10.927 3.044 1.00 . A A . 3 PHE HD2 1 1 19 5768 1 1 3 PHE HE1 H -5.317 -7.108 4.868 1.00 . A A . 3 PHE HE1 1 1 19 5769 1 1 3 PHE HE2 H -8.967 -8.785 3.440 1.00 . A A . 3 PHE HE2 1 1 19 5770 1 1 3 PHE HZ H -7.714 -6.871 4.353 1.00 . A A . 3 PHE HZ 1 1 19 5771 1 1 3 PHE N N -5.095 -12.831 1.403 1.00 . A A . 3 PHE N 1 1 19 5772 1 1 3 PHE O O -2.418 -10.653 2.280 1.00 . A A . 3 PHE O 1 1 19 5773 1 1 4 GLY C C -0.330 -12.241 1.340 1.00 . A A . 4 GLY C 1 1 19 5774 1 1 4 GLY CA C -1.085 -13.056 2.369 1.00 . A A . 4 GLY CA 1 1 19 5775 1 1 4 GLY H H -3.098 -13.693 2.202 1.00 . A A . 4 GLY H 1 1 19 5776 1 1 4 GLY HA2 H -0.779 -12.744 3.357 1.00 . A A . 4 GLY HA2 1 1 19 5777 1 1 4 GLY HA3 H -0.837 -14.099 2.239 1.00 . A A . 4 GLY HA3 1 1 19 5778 1 1 4 GLY N N -2.524 -12.900 2.254 1.00 . A A . 4 GLY N 1 1 19 5779 1 1 4 GLY O O 0.788 -11.789 1.592 1.00 . A A . 4 GLY O 1 1 19 5780 1 1 5 VAL C C -0.814 -9.845 -0.908 1.00 . A A . 5 VAL C 1 1 19 5781 1 1 5 VAL CA C -0.316 -11.286 -0.899 1.00 . A A . 5 VAL CA 1 1 19 5782 1 1 5 VAL CB C -0.592 -11.920 -2.275 1.00 . A A . 5 VAL CB 1 1 19 5783 1 1 5 VAL CG1 C 0.037 -11.088 -3.383 1.00 . A A . 5 VAL CG1 1 1 19 5784 1 1 5 VAL CG2 C -0.077 -13.351 -2.315 1.00 . A A . 5 VAL CG2 1 1 19 5785 1 1 5 VAL H H -1.829 -12.437 0.031 1.00 . A A . 5 VAL H 1 1 19 5786 1 1 5 VAL HA H 0.752 -11.286 -0.734 1.00 . A A . 5 VAL HA 1 1 19 5787 1 1 5 VAL HB H -1.660 -11.940 -2.433 1.00 . A A . 5 VAL HB 1 1 19 5788 1 1 5 VAL HG11 H 0.474 -11.744 -4.122 1.00 . A A . 5 VAL HG11 1 1 19 5789 1 1 5 VAL HG12 H -0.721 -10.475 -3.847 1.00 . A A . 5 VAL HG12 1 1 19 5790 1 1 5 VAL HG13 H 0.806 -10.456 -2.966 1.00 . A A . 5 VAL HG13 1 1 19 5791 1 1 5 VAL HG21 H 0.968 -13.365 -2.045 1.00 . A A . 5 VAL HG21 1 1 19 5792 1 1 5 VAL HG22 H -0.637 -13.955 -1.616 1.00 . A A . 5 VAL HG22 1 1 19 5793 1 1 5 VAL HG23 H -0.196 -13.750 -3.311 1.00 . A A . 5 VAL HG23 1 1 19 5794 1 1 5 VAL N N -0.939 -12.052 0.173 1.00 . A A . 5 VAL N 1 1 19 5795 1 1 5 VAL O O -0.144 -8.947 -1.419 1.00 . A A . 5 VAL O 1 1 19 5796 1 1 6 LEU C C -1.610 -7.298 0.339 1.00 . A A . 6 LEU C 1 1 19 5797 1 1 6 LEU CA C -2.584 -8.297 -0.276 1.00 . A A . 6 LEU CA 1 1 19 5798 1 1 6 LEU CB C -3.881 -8.328 0.534 1.00 . A A . 6 LEU CB 1 1 19 5799 1 1 6 LEU CD1 C -6.358 -8.684 0.673 1.00 . A A . 6 LEU CD1 1 1 19 5800 1 1 6 LEU CD2 C -5.382 -7.437 -1.263 1.00 . A A . 6 LEU CD2 1 1 19 5801 1 1 6 LEU CG C -5.165 -8.562 -0.262 1.00 . A A . 6 LEU CG 1 1 19 5802 1 1 6 LEU H H -2.481 -10.386 0.054 1.00 . A A . 6 LEU H 1 1 19 5803 1 1 6 LEU HA H -2.808 -7.989 -1.286 1.00 . A A . 6 LEU HA 1 1 19 5804 1 1 6 LEU HB2 H -3.796 -9.119 1.264 1.00 . A A . 6 LEU HB2 1 1 19 5805 1 1 6 LEU HB3 H -3.974 -7.379 1.045 1.00 . A A . 6 LEU HB3 1 1 19 5806 1 1 6 LEU HD11 H -7.240 -8.297 0.184 1.00 . A A . 6 LEU HD11 1 1 19 5807 1 1 6 LEU HD12 H -6.169 -8.119 1.574 1.00 . A A . 6 LEU HD12 1 1 19 5808 1 1 6 LEU HD13 H -6.513 -9.722 0.925 1.00 . A A . 6 LEU HD13 1 1 19 5809 1 1 6 LEU HD21 H -6.427 -7.157 -1.269 1.00 . A A . 6 LEU HD21 1 1 19 5810 1 1 6 LEU HD22 H -5.095 -7.772 -2.249 1.00 . A A . 6 LEU HD22 1 1 19 5811 1 1 6 LEU HD23 H -4.783 -6.584 -0.984 1.00 . A A . 6 LEU HD23 1 1 19 5812 1 1 6 LEU HG H -5.077 -9.488 -0.812 1.00 . A A . 6 LEU HG 1 1 19 5813 1 1 6 LEU N N -1.995 -9.631 -0.336 1.00 . A A . 6 LEU N 1 1 19 5814 1 1 6 LEU O O -1.659 -6.105 0.044 1.00 . A A . 6 LEU O 1 1 19 5815 1 1 7 ALA C C 1.157 -6.252 0.825 1.00 . A A . 7 ALA C 1 1 19 5816 1 1 7 ALA CA C 0.266 -6.947 1.849 1.00 . A A . 7 ALA CA 1 1 19 5817 1 1 7 ALA CB C 1.110 -7.767 2.815 1.00 . A A . 7 ALA CB 1 1 19 5818 1 1 7 ALA H H -0.732 -8.755 1.391 1.00 . A A . 7 ALA H 1 1 19 5819 1 1 7 ALA HA H -0.262 -6.196 2.419 1.00 . A A . 7 ALA HA 1 1 19 5820 1 1 7 ALA HB1 H 1.302 -7.186 3.705 1.00 . A A . 7 ALA HB1 1 1 19 5821 1 1 7 ALA HB2 H 0.578 -8.668 3.081 1.00 . A A . 7 ALA HB2 1 1 19 5822 1 1 7 ALA HB3 H 2.046 -8.026 2.344 1.00 . A A . 7 ALA HB3 1 1 19 5823 1 1 7 ALA N N -0.722 -7.795 1.195 1.00 . A A . 7 ALA N 1 1 19 5824 1 1 7 ALA O O 1.705 -5.181 1.087 1.00 . A A . 7 ALA O 1 1 19 5825 1 1 8 LYS C C 1.551 -4.987 -1.903 1.00 . A A . 8 LYS C 1 1 19 5826 1 1 8 LYS CA C 2.124 -6.311 -1.409 1.00 . A A . 8 LYS CA 1 1 19 5827 1 1 8 LYS CB C 2.227 -7.300 -2.572 1.00 . A A . 8 LYS CB 1 1 19 5828 1 1 8 LYS CD C 3.710 -6.773 -4.532 1.00 . A A . 8 LYS CD 1 1 19 5829 1 1 8 LYS CE C 5.144 -6.717 -5.034 1.00 . A A . 8 LYS CE 1 1 19 5830 1 1 8 LYS CG C 3.627 -7.410 -3.154 1.00 . A A . 8 LYS CG 1 1 19 5831 1 1 8 LYS H H 0.838 -7.722 -0.493 1.00 . A A . 8 LYS H 1 1 19 5832 1 1 8 LYS HA H 3.111 -6.136 -1.007 1.00 . A A . 8 LYS HA 1 1 19 5833 1 1 8 LYS HB2 H 1.926 -8.277 -2.227 1.00 . A A . 8 LYS HB2 1 1 19 5834 1 1 8 LYS HB3 H 1.557 -6.983 -3.359 1.00 . A A . 8 LYS HB3 1 1 19 5835 1 1 8 LYS HD2 H 3.121 -7.357 -5.224 1.00 . A A . 8 LYS HD2 1 1 19 5836 1 1 8 LYS HD3 H 3.315 -5.769 -4.479 1.00 . A A . 8 LYS HD3 1 1 19 5837 1 1 8 LYS HE2 H 5.784 -7.205 -4.315 1.00 . A A . 8 LYS HE2 1 1 19 5838 1 1 8 LYS HE3 H 5.202 -7.237 -5.979 1.00 . A A . 8 LYS HE3 1 1 19 5839 1 1 8 LYS HG2 H 4.321 -6.909 -2.496 1.00 . A A . 8 LYS HG2 1 1 19 5840 1 1 8 LYS HG3 H 3.892 -8.454 -3.233 1.00 . A A . 8 LYS HG3 1 1 19 5841 1 1 8 LYS HZ1 H 5.293 -4.723 -4.428 1.00 . A A . 8 LYS HZ1 1 1 19 5842 1 1 8 LYS HZ2 H 5.223 -4.926 -6.106 1.00 . A A . 8 LYS HZ2 1 1 19 5843 1 1 8 LYS HZ3 H 6.649 -5.287 -5.270 1.00 . A A . 8 LYS HZ3 1 1 19 5844 1 1 8 LYS N N 1.300 -6.869 -0.343 1.00 . A A . 8 LYS N 1 1 19 5845 1 1 8 LYS NZ N 5.611 -5.315 -5.223 1.00 . A A . 8 LYS NZ 1 1 19 5846 1 1 8 LYS O O 2.232 -4.220 -2.585 1.00 . A A . 8 LYS O 1 1 19 5847 1 1 9 VAL C C -1.201 -2.913 -0.819 1.00 . A A . 9 VAL C 1 1 19 5848 1 1 9 VAL CA C -0.368 -3.490 -1.959 1.00 . A A . 9 VAL CA 1 1 19 5849 1 1 9 VAL CB C -1.277 -3.717 -3.181 1.00 . A A . 9 VAL CB 1 1 19 5850 1 1 9 VAL CG1 C -2.425 -4.651 -2.826 1.00 . A A . 9 VAL CG1 1 1 19 5851 1 1 9 VAL CG2 C -1.802 -2.390 -3.708 1.00 . A A . 9 VAL CG2 1 1 19 5852 1 1 9 VAL H H -0.195 -5.373 -1.009 1.00 . A A . 9 VAL H 1 1 19 5853 1 1 9 VAL HA H 0.394 -2.774 -2.233 1.00 . A A . 9 VAL HA 1 1 19 5854 1 1 9 VAL HB H -0.691 -4.183 -3.959 1.00 . A A . 9 VAL HB 1 1 19 5855 1 1 9 VAL HG11 H -2.348 -5.554 -3.414 1.00 . A A . 9 VAL HG11 1 1 19 5856 1 1 9 VAL HG12 H -2.377 -4.899 -1.775 1.00 . A A . 9 VAL HG12 1 1 19 5857 1 1 9 VAL HG13 H -3.365 -4.163 -3.038 1.00 . A A . 9 VAL HG13 1 1 19 5858 1 1 9 VAL HG21 H -1.077 -1.615 -3.514 1.00 . A A . 9 VAL HG21 1 1 19 5859 1 1 9 VAL HG22 H -1.972 -2.468 -4.773 1.00 . A A . 9 VAL HG22 1 1 19 5860 1 1 9 VAL HG23 H -2.730 -2.147 -3.212 1.00 . A A . 9 VAL HG23 1 1 19 5861 1 1 9 VAL N N 0.295 -4.723 -1.553 1.00 . A A . 9 VAL N 1 1 19 5862 1 1 9 VAL O O -2.372 -2.581 -0.999 1.00 . A A . 9 VAL O 1 1 19 5863 1 1 10 ALA C C -0.296 -2.030 2.673 1.00 . A A . 10 ALA C 1 1 19 5864 1 1 10 ALA CA C -1.271 -2.258 1.523 1.00 . A A . 10 ALA CA 1 1 19 5865 1 1 10 ALA CB C -2.392 -3.192 1.956 1.00 . A A . 10 ALA CB 1 1 19 5866 1 1 10 ALA H H 0.347 -3.078 0.435 1.00 . A A . 10 ALA H 1 1 19 5867 1 1 10 ALA HA H -1.712 -1.311 1.245 1.00 . A A . 10 ALA HA 1 1 19 5868 1 1 10 ALA HB1 H -3.251 -2.608 2.254 1.00 . A A . 10 ALA HB1 1 1 19 5869 1 1 10 ALA HB2 H -2.662 -3.836 1.133 1.00 . A A . 10 ALA HB2 1 1 19 5870 1 1 10 ALA HB3 H -2.058 -3.792 2.789 1.00 . A A . 10 ALA HB3 1 1 19 5871 1 1 10 ALA N N -0.587 -2.797 0.355 1.00 . A A . 10 ALA N 1 1 19 5872 1 1 10 ALA O O 0.039 -2.986 3.344 1.00 . A A . 10 ALA O 1 1 19 5873 1 1 11 . C C 2.400 0.538 3.286 1.00 . A A . 11 I4G C 1 1 19 5874 1 1 11 . CA C 1.220 -0.206 3.862 1.00 . A A . 11 I4G CA 1 1 19 5875 1 1 11 . CB C -0.263 0.535 2.033 1.00 . A A . 11 I4G CB 1 1 19 5876 1 1 11 . CD1 C -2.427 0.243 3.368 1.00 . A A . 11 I4G CD1 1 1 19 5877 1 1 11 . CD2 C -1.069 2.361 3.587 1.00 . A A . 11 I4G CD2 1 1 19 5878 1 1 11 . CG C -1.510 1.242 2.623 1.00 . A A . 11 I4G CG 1 1 19 5879 1 1 11 . HA2 H 1.550 -1.050 4.287 1.00 . A A . 11 I4G HA2 1 1 19 5880 1 1 11 . HA3 H 0.786 0.369 4.556 1.00 . A A . 11 I4G HA3 1 1 19 5881 1 1 11 . HB2 H -0.476 0.163 1.129 1.00 . A A . 11 I4G HB2 1 1 19 5882 1 1 11 . HB3 H 0.494 1.184 1.957 1.00 . A A . 11 I4G HB3 1 1 19 5883 1 1 11 . HD11 H -3.283 0.761 3.803 1.00 . A A . 11 I4G HD11 1 1 19 5884 1 1 11 . HD12 H -2.801 -0.521 2.686 1.00 . A A . 11 I4G HD12 1 1 19 5885 1 1 11 . HD13 H -1.876 -0.255 4.171 1.00 . A A . 11 I4G HD13 1 1 19 5886 1 1 11 . HD21 H -1.936 2.884 3.993 1.00 . A A . 11 I4G HD21 1 1 19 5887 1 1 11 . HD22 H -0.493 1.948 4.420 1.00 . A A . 11 I4G HD22 1 1 19 5888 1 1 11 . HD23 H -0.444 3.091 3.068 1.00 . A A . 11 I4G HD23 1 1 19 5889 1 1 11 . HG H -2.080 1.701 1.812 1.00 . A A . 11 I4G HG 1 1 19 5890 1 1 11 . N N 0.184 -0.578 2.882 1.00 . A A . 11 I4G N 1 1 19 5891 1 1 11 . O O 2.965 1.445 3.897 1.00 . A A . 11 I4G O 1 1 19 5892 1 1 12 HIS C C 3.359 1.475 0.078 1.00 . A A . 12 HIS C 1 1 19 5893 1 1 12 HIS CA C 3.855 0.802 1.353 1.00 . A A . 12 HIS CA 1 1 19 5894 1 1 12 HIS CB C 4.940 -0.221 1.015 1.00 . A A . 12 HIS CB 1 1 19 5895 1 1 12 HIS CD2 C 3.423 -1.921 -0.227 1.00 . A A . 12 HIS CD2 1 1 19 5896 1 1 12 HIS CE1 C 4.198 -3.762 0.675 1.00 . A A . 12 HIS CE1 1 1 19 5897 1 1 12 HIS CG C 4.398 -1.568 0.643 1.00 . A A . 12 HIS CG 1 1 19 5898 1 1 12 HIS H H 2.268 -0.571 1.628 1.00 . A A . 12 HIS H 1 1 19 5899 1 1 12 HIS HA H 4.274 1.555 2.002 1.00 . A A . 12 HIS HA 1 1 19 5900 1 1 12 HIS HB2 H 5.522 0.143 0.180 1.00 . A A . 12 HIS HB2 1 1 19 5901 1 1 12 HIS HB3 H 5.586 -0.348 1.870 1.00 . A A . 12 HIS HB3 1 1 19 5902 1 1 12 HIS HD1 H 5.575 -2.821 1.860 1.00 . A A . 12 HIS HD1 1 1 19 5903 1 1 12 HIS HD2 H 2.836 -1.249 -0.839 1.00 . A A . 12 HIS HD2 1 1 19 5904 1 1 12 HIS HE1 H 4.349 -4.803 0.917 1.00 . A A . 12 HIS HE1 1 1 19 5905 1 1 12 HIS N N 2.756 0.158 2.063 1.00 . A A . 12 HIS N 1 1 19 5906 1 1 12 HIS ND1 N 4.864 -2.744 1.192 1.00 . A A . 12 HIS ND1 1 1 19 5907 1 1 12 HIS NE2 N 3.319 -3.289 -0.189 1.00 . A A . 12 HIS NE2 1 1 19 5908 1 1 12 HIS O O 4.095 2.217 -0.573 1.00 . A A . 12 HIS O 1 1 19 5909 1 1 13 VAL C C 1.545 3.314 -1.422 1.00 . A A . 13 VAL C 1 1 19 5910 1 1 13 VAL CA C 1.508 1.791 -1.473 1.00 . A A . 13 VAL CA 1 1 19 5911 1 1 13 VAL CB C 0.051 1.329 -1.655 1.00 . A A . 13 VAL CB 1 1 19 5912 1 1 13 VAL CG1 C -0.528 1.885 -2.947 1.00 . A A . 13 VAL CG1 1 1 19 5913 1 1 13 VAL CG2 C -0.032 -0.190 -1.634 1.00 . A A . 13 VAL CG2 1 1 19 5914 1 1 13 VAL H H 1.567 0.612 0.284 1.00 . A A . 13 VAL H 1 1 19 5915 1 1 13 VAL HA H 2.080 1.455 -2.327 1.00 . A A . 13 VAL HA 1 1 19 5916 1 1 13 VAL HB H -0.532 1.712 -0.831 1.00 . A A . 13 VAL HB 1 1 19 5917 1 1 13 VAL HG11 H 0.185 2.556 -3.402 1.00 . A A . 13 VAL HG11 1 1 19 5918 1 1 13 VAL HG12 H -0.742 1.072 -3.625 1.00 . A A . 13 VAL HG12 1 1 19 5919 1 1 13 VAL HG13 H -1.439 2.423 -2.731 1.00 . A A . 13 VAL HG13 1 1 19 5920 1 1 13 VAL HG21 H 0.576 -0.594 -2.429 1.00 . A A . 13 VAL HG21 1 1 19 5921 1 1 13 VAL HG22 H 0.327 -0.557 -0.683 1.00 . A A . 13 VAL HG22 1 1 19 5922 1 1 13 VAL HG23 H -1.059 -0.497 -1.773 1.00 . A A . 13 VAL HG23 1 1 19 5923 1 1 13 VAL N N 2.105 1.211 -0.275 1.00 . A A . 13 VAL N 1 1 19 5924 1 1 13 VAL O O 1.996 3.968 -2.363 1.00 . A A . 13 VAL O 1 1 19 5925 1 1 14 VAL C C 2.420 5.928 -0.399 1.00 . A A . 14 VAL C 1 1 19 5926 1 1 14 VAL CA C 1.046 5.323 -0.140 1.00 . A A . 14 VAL CA 1 1 19 5927 1 1 14 VAL CB C 0.586 5.709 1.279 1.00 . A A . 14 VAL CB 1 1 19 5928 1 1 14 VAL CG1 C 0.624 7.219 1.459 1.00 . A A . 14 VAL CG1 1 1 19 5929 1 1 14 VAL CG2 C -0.808 5.166 1.553 1.00 . A A . 14 VAL CG2 1 1 19 5930 1 1 14 VAL H H 0.721 3.302 0.399 1.00 . A A . 14 VAL H 1 1 19 5931 1 1 14 VAL HA H 0.343 5.735 -0.849 1.00 . A A . 14 VAL HA 1 1 19 5932 1 1 14 VAL HB H 1.268 5.267 1.989 1.00 . A A . 14 VAL HB 1 1 19 5933 1 1 14 VAL HG11 H -0.219 7.531 2.058 1.00 . A A . 14 VAL HG11 1 1 19 5934 1 1 14 VAL HG12 H 1.542 7.499 1.953 1.00 . A A . 14 VAL HG12 1 1 19 5935 1 1 14 VAL HG13 H 0.574 7.699 0.492 1.00 . A A . 14 VAL HG13 1 1 19 5936 1 1 14 VAL HG21 H -0.972 5.120 2.619 1.00 . A A . 14 VAL HG21 1 1 19 5937 1 1 14 VAL HG22 H -1.544 5.818 1.104 1.00 . A A . 14 VAL HG22 1 1 19 5938 1 1 14 VAL HG23 H -0.899 4.177 1.131 1.00 . A A . 14 VAL HG23 1 1 19 5939 1 1 14 VAL N N 1.067 3.875 -0.315 1.00 . A A . 14 VAL N 1 1 19 5940 1 1 14 VAL O O 2.534 7.041 -0.911 1.00 . A A . 14 VAL O 1 1 19 5941 1 1 15 GLY C C 5.141 5.895 -1.709 1.00 . A A . 15 GLY C 1 1 19 5942 1 1 15 GLY CA C 4.819 5.666 -0.246 1.00 . A A . 15 GLY CA 1 1 19 5943 1 1 15 GLY H H 3.314 4.305 0.360 1.00 . A A . 15 GLY H 1 1 19 5944 1 1 15 GLY HA2 H 4.945 6.595 0.289 1.00 . A A . 15 GLY HA2 1 1 19 5945 1 1 15 GLY HA3 H 5.510 4.936 0.152 1.00 . A A . 15 GLY HA3 1 1 19 5946 1 1 15 GLY N N 3.465 5.185 -0.043 1.00 . A A . 15 GLY N 1 1 19 5947 1 1 15 GLY O O 5.999 6.711 -2.043 1.00 . A A . 15 GLY O 1 1 19 5948 1 1 16 ALA C C 3.672 6.280 -4.640 1.00 . A A . 16 ALA C 1 1 19 5949 1 1 16 ALA CA C 4.666 5.303 -4.021 1.00 . A A . 16 ALA CA 1 1 19 5950 1 1 16 ALA CB C 4.562 3.943 -4.695 1.00 . A A . 16 ALA CB 1 1 19 5951 1 1 16 ALA H H 3.778 4.539 -2.259 1.00 . A A . 16 ALA H 1 1 19 5952 1 1 16 ALA HA H 5.668 5.677 -4.175 1.00 . A A . 16 ALA HA 1 1 19 5953 1 1 16 ALA HB1 H 3.561 3.808 -5.078 1.00 . A A . 16 ALA HB1 1 1 19 5954 1 1 16 ALA HB2 H 5.269 3.890 -5.510 1.00 . A A . 16 ALA HB2 1 1 19 5955 1 1 16 ALA HB3 H 4.781 3.167 -3.976 1.00 . A A . 16 ALA HB3 1 1 19 5956 1 1 16 ALA N N 4.450 5.173 -2.586 1.00 . A A . 16 ALA N 1 1 19 5957 1 1 16 ALA O O 4.056 7.181 -5.387 1.00 . A A . 16 ALA O 1 1 19 5958 1 1 17 ILE C C 1.622 8.423 -4.515 1.00 . A A . 17 ILE C 1 1 19 5959 1 1 17 ILE CA C 1.346 6.961 -4.850 1.00 . A A . 17 ILE CA 1 1 19 5960 1 1 17 ILE CB C -0.037 6.571 -4.297 1.00 . A A . 17 ILE CB 1 1 19 5961 1 1 17 ILE CD1 C -1.680 4.639 -4.087 1.00 . A A . 17 ILE CD1 1 1 19 5962 1 1 17 ILE CG1 C -0.361 5.119 -4.651 1.00 . A A . 17 ILE CG1 1 1 19 5963 1 1 17 ILE CG2 C -1.108 7.507 -4.838 1.00 . A A . 17 ILE CG2 1 1 19 5964 1 1 17 ILE H H 2.151 5.361 -3.725 1.00 . A A . 17 ILE H 1 1 19 5965 1 1 17 ILE HA H 1.327 6.847 -5.925 1.00 . A A . 17 ILE HA 1 1 19 5966 1 1 17 ILE HB H -0.012 6.674 -3.223 1.00 . A A . 17 ILE HB 1 1 19 5967 1 1 17 ILE HD11 H -2.481 5.254 -4.470 1.00 . A A . 17 ILE HD11 1 1 19 5968 1 1 17 ILE HD12 H -1.844 3.612 -4.377 1.00 . A A . 17 ILE HD12 1 1 19 5969 1 1 17 ILE HD13 H -1.657 4.710 -3.009 1.00 . A A . 17 ILE HD13 1 1 19 5970 1 1 17 ILE HG12 H -0.404 5.018 -5.724 1.00 . A A . 17 ILE HG12 1 1 19 5971 1 1 17 ILE HG13 H 0.419 4.479 -4.264 1.00 . A A . 17 ILE HG13 1 1 19 5972 1 1 17 ILE HG21 H -1.860 6.930 -5.356 1.00 . A A . 17 ILE HG21 1 1 19 5973 1 1 17 ILE HG22 H -1.566 8.040 -4.019 1.00 . A A . 17 ILE HG22 1 1 19 5974 1 1 17 ILE HG23 H -0.658 8.211 -5.521 1.00 . A A . 17 ILE HG23 1 1 19 5975 1 1 17 ILE N N 2.395 6.095 -4.325 1.00 . A A . 17 ILE N 1 1 19 5976 1 1 17 ILE O O 1.342 9.317 -5.314 1.00 . A A . 17 ILE O 1 1 19 5977 1 1 18 ALA C C 3.697 10.565 -3.642 1.00 . A A . 18 ALA C 1 1 19 5978 1 1 18 ALA CA C 2.490 10.012 -2.890 1.00 . A A . 18 ALA CA 1 1 19 5979 1 1 18 ALA CB C 2.746 10.033 -1.390 1.00 . A A . 18 ALA CB 1 1 19 5980 1 1 18 ALA H H 2.373 7.905 -2.736 1.00 . A A . 18 ALA H 1 1 19 5981 1 1 18 ALA HA H 1.634 10.638 -3.093 1.00 . A A . 18 ALA HA 1 1 19 5982 1 1 18 ALA HB1 H 3.670 9.516 -1.176 1.00 . A A . 18 ALA HB1 1 1 19 5983 1 1 18 ALA HB2 H 2.819 11.056 -1.051 1.00 . A A . 18 ALA HB2 1 1 19 5984 1 1 18 ALA HB3 H 1.931 9.541 -0.879 1.00 . A A . 18 ALA HB3 1 1 19 5985 1 1 18 ALA N N 2.173 8.659 -3.329 1.00 . A A . 18 ALA N 1 1 19 5986 1 1 18 ALA O O 3.971 11.763 -3.594 1.00 . A A . 18 ALA O 1 1 19 5987 1 1 19 GLU C C 5.189 10.838 -6.360 1.00 . A A . 19 GLU C 1 1 19 5988 1 1 19 GLU CA C 5.589 10.085 -5.094 1.00 . A A . 19 GLU CA 1 1 19 5989 1 1 19 GLU CB C 6.430 8.861 -5.459 1.00 . A A . 19 GLU CB 1 1 19 5990 1 1 19 GLU CD C 8.618 9.441 -4.338 1.00 . A A . 19 GLU CD 1 1 19 5991 1 1 19 GLU CG C 7.905 9.170 -5.649 1.00 . A A . 19 GLU CG 1 1 19 5992 1 1 19 GLU H H 4.142 8.742 -4.332 1.00 . A A . 19 GLU H 1 1 19 5993 1 1 19 GLU HA H 6.178 10.742 -4.471 1.00 . A A . 19 GLU HA 1 1 19 5994 1 1 19 GLU HB2 H 6.335 8.126 -4.673 1.00 . A A . 19 GLU HB2 1 1 19 5995 1 1 19 GLU HB3 H 6.052 8.440 -6.380 1.00 . A A . 19 GLU HB3 1 1 19 5996 1 1 19 GLU HG2 H 8.378 8.327 -6.130 1.00 . A A . 19 GLU HG2 1 1 19 5997 1 1 19 GLU HG3 H 8.000 10.042 -6.279 1.00 . A A . 19 GLU HG3 1 1 19 5998 1 1 19 GLU N N 4.411 9.683 -4.334 1.00 . A A . 19 GLU N 1 1 19 5999 1 1 19 GLU O O 5.692 11.927 -6.635 1.00 . A A . 19 GLU O 1 1 19 6000 1 1 19 GLU OE1 O 7.958 9.383 -3.280 1.00 . A A . 19 GLU OE1 1 1 19 6001 1 1 19 GLU OE2 O 9.837 9.711 -4.371 1.00 . A A . 19 GLU OE2 1 1 19 6002 1 1 20 HIS C C 2.807 11.972 -8.077 1.00 . A A . 20 HIS C 1 1 19 6003 1 1 20 HIS CA C 3.810 10.859 -8.367 1.00 . A A . 20 HIS CA 1 1 19 6004 1 1 20 HIS CB C 3.173 9.805 -9.274 1.00 . A A . 20 HIS CB 1 1 19 6005 1 1 20 HIS CD2 C 1.084 8.775 -8.134 1.00 . A A . 20 HIS CD2 1 1 19 6006 1 1 20 HIS CE1 C -0.459 9.869 -9.244 1.00 . A A . 20 HIS CE1 1 1 19 6007 1 1 20 HIS CG C 1.714 9.592 -9.009 1.00 . A A . 20 HIS CG 1 1 19 6008 1 1 20 HIS H H 3.915 9.378 -6.858 1.00 . A A . 20 HIS H 1 1 19 6009 1 1 20 HIS HA H 4.665 11.285 -8.871 1.00 . A A . 20 HIS HA 1 1 19 6010 1 1 20 HIS HB2 H 3.282 10.113 -10.303 1.00 . A A . 20 HIS HB2 1 1 19 6011 1 1 20 HIS HB3 H 3.679 8.862 -9.128 1.00 . A A . 20 HIS HB3 1 1 19 6012 1 1 20 HIS HD1 H 0.859 10.929 -10.395 1.00 . A A . 20 HIS HD1 1 1 19 6013 1 1 20 HIS HD2 H 1.553 8.098 -7.434 1.00 . A A . 20 HIS HD2 1 1 19 6014 1 1 20 HIS HE1 H -1.418 10.223 -9.592 1.00 . A A . 20 HIS HE1 1 1 19 6015 1 1 20 HIS N N 4.279 10.246 -7.130 1.00 . A A . 20 HIS N 1 1 19 6016 1 1 20 HIS ND1 N 0.720 10.262 -9.690 1.00 . A A . 20 HIS ND1 1 1 19 6017 1 1 20 HIS NE2 N -0.266 8.966 -8.299 1.00 . A A . 20 HIS NE2 1 1 19 6018 1 1 20 HIS O O 2.620 12.880 -8.887 1.00 . A A . 20 HIS O 1 1 19 6019 1 1 21 PHE C C 1.643 13.655 -5.285 1.00 . A A . 21 PHE C 1 1 19 6020 1 1 21 PHE CA C 1.178 12.892 -6.521 1.00 . A A . 21 PHE CA 1 1 19 6021 1 1 21 PHE CB C -0.172 12.226 -6.244 1.00 . A A . 21 PHE CB 1 1 19 6022 1 1 21 PHE CD1 C -1.540 13.037 -8.185 1.00 . A A . 21 PHE CD1 1 1 19 6023 1 1 21 PHE CD2 C -2.238 13.626 -5.983 1.00 . A A . 21 PHE CD2 1 1 19 6024 1 1 21 PHE CE1 C -2.614 13.728 -8.714 1.00 . A A . 21 PHE CE1 1 1 19 6025 1 1 21 PHE CE2 C -3.314 14.318 -6.505 1.00 . A A . 21 PHE CE2 1 1 19 6026 1 1 21 PHE CG C -1.340 12.978 -6.816 1.00 . A A . 21 PHE CG 1 1 19 6027 1 1 21 PHE CZ C -3.502 14.370 -7.873 1.00 . A A . 21 PHE CZ 1 1 19 6028 1 1 21 PHE H H 2.355 11.144 -6.313 1.00 . A A . 21 PHE H 1 1 19 6029 1 1 21 PHE HA H 1.065 13.588 -7.338 1.00 . A A . 21 PHE HA 1 1 19 6030 1 1 21 PHE HB2 H -0.173 11.236 -6.675 1.00 . A A . 21 PHE HB2 1 1 19 6031 1 1 21 PHE HB3 H -0.315 12.148 -5.177 1.00 . A A . 21 PHE HB3 1 1 19 6032 1 1 21 PHE HD1 H -0.846 12.535 -8.845 1.00 . A A . 21 PHE HD1 1 1 19 6033 1 1 21 PHE HD2 H -2.092 13.586 -4.913 1.00 . A A . 21 PHE HD2 1 1 19 6034 1 1 21 PHE HE1 H -2.758 13.766 -9.783 1.00 . A A . 21 PHE HE1 1 1 19 6035 1 1 21 PHE HE2 H -4.006 14.819 -5.846 1.00 . A A . 21 PHE HE2 1 1 19 6036 1 1 21 PHE HZ H -4.342 14.910 -8.283 1.00 . A A . 21 PHE HZ 1 1 19 6037 1 1 21 PHE N N 2.163 11.893 -6.917 1.00 . A A . 21 PHE N 1 1 19 6038 1 1 21 PHE O O 0.867 14.039 -4.444 1.00 . A A . 21 PHE O 1 1 19 6039 1 1 22 NH2 HN1 H 3.706 13.537 -5.934 1.00 . A A . 22 NH2 HN1 1 1 19 6040 1 1 22 NH2 HN2 H 3.491 14.393 -4.377 1.00 . A A . 22 NH2 HN2 1 1 19 6041 1 1 22 NH2 N N 3.136 13.901 -5.174 1.00 . A A . 22 NH2 N 1 1 19 6042 2 2 1 UNX UNK . -13.694 0.768 -11.983 1.00 . B A . 100 UNX UNK 1 1 20 6043 1 1 1 GLY C C -3.799 -16.306 -0.041 1.00 . A A . 1 GLY C 1 1 20 6044 1 1 1 GLY CA C -3.517 -17.528 0.809 1.00 . A A . 1 GLY CA 1 1 20 6045 1 1 1 GLY H1 H -2.727 -17.581 2.742 1.00 . A A . 1 GLY H1 1 1 20 6046 1 1 1 GLY H2 H -1.577 -17.588 1.583 1.00 . A A . 1 GLY H2 1 1 20 6047 1 1 1 GLY H3 H -2.259 -16.360 2.049 1.00 . A A . 1 GLY H3 1 1 20 6048 1 1 1 GLY HA2 H -3.185 -18.332 0.169 1.00 . A A . 1 GLY HA2 1 1 20 6049 1 1 1 GLY HA3 H -4.429 -17.828 1.304 1.00 . A A . 1 GLY HA3 1 1 20 6050 1 1 1 GLY N N -2.500 -17.282 1.816 1.00 . A A . 1 GLY N 1 1 20 6051 1 1 1 GLY O O -2.966 -15.898 -0.851 1.00 . A A . 1 GLY O 1 1 20 6052 1 1 2 LEU C C -4.793 -13.273 0.008 1.00 . A A . 2 LEU C 1 1 20 6053 1 1 2 LEU CA C -5.370 -14.538 -0.619 1.00 . A A . 2 LEU CA 1 1 20 6054 1 1 2 LEU CB C -6.895 -14.436 -0.691 1.00 . A A . 2 LEU CB 1 1 20 6055 1 1 2 LEU CD1 C -6.977 -12.567 -2.358 1.00 . A A . 2 LEU CD1 1 1 20 6056 1 1 2 LEU CD2 C -7.114 -14.940 -3.137 1.00 . A A . 2 LEU CD2 1 1 20 6057 1 1 2 LEU CG C -7.473 -13.965 -2.025 1.00 . A A . 2 LEU CG 1 1 20 6058 1 1 2 LEU H H -5.600 -16.091 0.799 1.00 . A A . 2 LEU H 1 1 20 6059 1 1 2 LEU HA H -4.977 -14.641 -1.619 1.00 . A A . 2 LEU HA 1 1 20 6060 1 1 2 LEU HB2 H -7.302 -15.413 -0.480 1.00 . A A . 2 LEU HB2 1 1 20 6061 1 1 2 LEU HB3 H -7.215 -13.743 0.074 1.00 . A A . 2 LEU HB3 1 1 20 6062 1 1 2 LEU HD11 H -5.916 -12.600 -2.555 1.00 . A A . 2 LEU HD11 1 1 20 6063 1 1 2 LEU HD12 H -7.167 -11.908 -1.524 1.00 . A A . 2 LEU HD12 1 1 20 6064 1 1 2 LEU HD13 H -7.494 -12.200 -3.233 1.00 . A A . 2 LEU HD13 1 1 20 6065 1 1 2 LEU HD21 H -6.454 -15.701 -2.747 1.00 . A A . 2 LEU HD21 1 1 20 6066 1 1 2 LEU HD22 H -6.618 -14.408 -3.935 1.00 . A A . 2 LEU HD22 1 1 20 6067 1 1 2 LEU HD23 H -8.014 -15.401 -3.515 1.00 . A A . 2 LEU HD23 1 1 20 6068 1 1 2 LEU HG H -8.551 -13.926 -1.949 1.00 . A A . 2 LEU HG 1 1 20 6069 1 1 2 LEU N N -4.978 -15.720 0.141 1.00 . A A . 2 LEU N 1 1 20 6070 1 1 2 LEU O O -4.009 -12.559 -0.617 1.00 . A A . 2 LEU O 1 1 20 6071 1 1 3 PHE C C -3.188 -11.849 2.097 1.00 . A A . 3 PHE C 1 1 20 6072 1 1 3 PHE CA C -4.707 -11.823 1.962 1.00 . A A . 3 PHE CA 1 1 20 6073 1 1 3 PHE CB C -5.352 -11.742 3.347 1.00 . A A . 3 PHE CB 1 1 20 6074 1 1 3 PHE CD1 C -5.538 -9.340 4.050 1.00 . A A . 3 PHE CD1 1 1 20 6075 1 1 3 PHE CD2 C -7.504 -10.452 3.284 1.00 . A A . 3 PHE CD2 1 1 20 6076 1 1 3 PHE CE1 C -6.267 -8.183 4.252 1.00 . A A . 3 PHE CE1 1 1 20 6077 1 1 3 PHE CE2 C -8.238 -9.298 3.483 1.00 . A A . 3 PHE CE2 1 1 20 6078 1 1 3 PHE CG C -6.148 -10.486 3.565 1.00 . A A . 3 PHE CG 1 1 20 6079 1 1 3 PHE CZ C -7.619 -8.162 3.969 1.00 . A A . 3 PHE CZ 1 1 20 6080 1 1 3 PHE H H -5.813 -13.609 1.695 1.00 . A A . 3 PHE H 1 1 20 6081 1 1 3 PHE HA H -4.991 -10.953 1.390 1.00 . A A . 3 PHE HA 1 1 20 6082 1 1 3 PHE HB2 H -6.018 -12.581 3.476 1.00 . A A . 3 PHE HB2 1 1 20 6083 1 1 3 PHE HB3 H -4.579 -11.781 4.099 1.00 . A A . 3 PHE HB3 1 1 20 6084 1 1 3 PHE HD1 H -4.481 -9.355 4.272 1.00 . A A . 3 PHE HD1 1 1 20 6085 1 1 3 PHE HD2 H -7.990 -11.339 2.906 1.00 . A A . 3 PHE HD2 1 1 20 6086 1 1 3 PHE HE1 H -5.780 -7.298 4.632 1.00 . A A . 3 PHE HE1 1 1 20 6087 1 1 3 PHE HE2 H -9.294 -9.284 3.262 1.00 . A A . 3 PHE HE2 1 1 20 6088 1 1 3 PHE HZ H -8.190 -7.259 4.124 1.00 . A A . 3 PHE HZ 1 1 20 6089 1 1 3 PHE N N -5.186 -13.001 1.249 1.00 . A A . 3 PHE N 1 1 20 6090 1 1 3 PHE O O -2.542 -10.805 2.179 1.00 . A A . 3 PHE O 1 1 20 6091 1 1 4 GLY C C -0.428 -12.366 1.227 1.00 . A A . 4 GLY C 1 1 20 6092 1 1 4 GLY CA C -1.183 -13.194 2.248 1.00 . A A . 4 GLY CA 1 1 20 6093 1 1 4 GLY H H -3.187 -13.851 2.052 1.00 . A A . 4 GLY H 1 1 20 6094 1 1 4 GLY HA2 H -0.887 -12.882 3.238 1.00 . A A . 4 GLY HA2 1 1 20 6095 1 1 4 GLY HA3 H -0.922 -14.233 2.114 1.00 . A A . 4 GLY HA3 1 1 20 6096 1 1 4 GLY N N -2.621 -13.053 2.121 1.00 . A A . 4 GLY N 1 1 20 6097 1 1 4 GLY O O 0.708 -11.956 1.467 1.00 . A A . 4 GLY O 1 1 20 6098 1 1 5 VAL C C -0.891 -9.880 -0.923 1.00 . A A . 5 VAL C 1 1 20 6099 1 1 5 VAL CA C -0.438 -11.335 -0.978 1.00 . A A . 5 VAL CA 1 1 20 6100 1 1 5 VAL CB C -0.768 -11.911 -2.368 1.00 . A A . 5 VAL CB 1 1 20 6101 1 1 5 VAL CG1 C -0.142 -11.060 -3.462 1.00 . A A . 5 VAL CG1 1 1 20 6102 1 1 5 VAL CG2 C -0.301 -13.355 -2.471 1.00 . A A . 5 VAL CG2 1 1 20 6103 1 1 5 VAL H H -1.963 -12.472 -0.050 1.00 . A A . 5 VAL H 1 1 20 6104 1 1 5 VAL HA H 0.633 -11.375 -0.840 1.00 . A A . 5 VAL HA 1 1 20 6105 1 1 5 VAL HB H -1.840 -11.892 -2.498 1.00 . A A . 5 VAL HB 1 1 20 6106 1 1 5 VAL HG11 H -0.898 -10.425 -3.901 1.00 . A A . 5 VAL HG11 1 1 20 6107 1 1 5 VAL HG12 H 0.643 -10.450 -3.040 1.00 . A A . 5 VAL HG12 1 1 20 6108 1 1 5 VAL HG13 H 0.274 -11.703 -4.224 1.00 . A A . 5 VAL HG13 1 1 20 6109 1 1 5 VAL HG21 H 0.757 -13.407 -2.256 1.00 . A A . 5 VAL HG21 1 1 20 6110 1 1 5 VAL HG22 H -0.842 -13.961 -1.758 1.00 . A A . 5 VAL HG22 1 1 20 6111 1 1 5 VAL HG23 H -0.484 -13.723 -3.469 1.00 . A A . 5 VAL HG23 1 1 20 6112 1 1 5 VAL N N -1.059 -12.119 0.083 1.00 . A A . 5 VAL N 1 1 20 6113 1 1 5 VAL O O -0.178 -8.979 -1.367 1.00 . A A . 5 VAL O 1 1 20 6114 1 1 6 LEU C C -1.662 -7.389 0.475 1.00 . A A . 6 LEU C 1 1 20 6115 1 1 6 LEU CA C -2.629 -8.310 -0.261 1.00 . A A . 6 LEU CA 1 1 20 6116 1 1 6 LEU CB C -3.972 -8.346 0.471 1.00 . A A . 6 LEU CB 1 1 20 6117 1 1 6 LEU CD1 C -6.429 -8.843 0.445 1.00 . A A . 6 LEU CD1 1 1 20 6118 1 1 6 LEU CD2 C -5.454 -7.283 -1.249 1.00 . A A . 6 LEU CD2 1 1 20 6119 1 1 6 LEU CG C -5.210 -8.526 -0.408 1.00 . A A . 6 LEU CG 1 1 20 6120 1 1 6 LEU H H -2.602 -10.415 -0.039 1.00 . A A . 6 LEU H 1 1 20 6121 1 1 6 LEU HA H -2.782 -7.928 -1.259 1.00 . A A . 6 LEU HA 1 1 20 6122 1 1 6 LEU HB2 H -3.944 -9.164 1.174 1.00 . A A . 6 LEU HB2 1 1 20 6123 1 1 6 LEU HB3 H -4.080 -7.415 1.009 1.00 . A A . 6 LEU HB3 1 1 20 6124 1 1 6 LEU HD11 H -6.302 -8.414 1.428 1.00 . A A . 6 LEU HD11 1 1 20 6125 1 1 6 LEU HD12 H -6.540 -9.914 0.532 1.00 . A A . 6 LEU HD12 1 1 20 6126 1 1 6 LEU HD13 H -7.312 -8.426 -0.019 1.00 . A A . 6 LEU HD13 1 1 20 6127 1 1 6 LEU HD21 H -4.582 -7.082 -1.855 1.00 . A A . 6 LEU HD21 1 1 20 6128 1 1 6 LEU HD22 H -5.643 -6.440 -0.599 1.00 . A A . 6 LEU HD22 1 1 20 6129 1 1 6 LEU HD23 H -6.309 -7.442 -1.889 1.00 . A A . 6 LEU HD23 1 1 20 6130 1 1 6 LEU HG H -5.049 -9.359 -1.080 1.00 . A A . 6 LEU HG 1 1 20 6131 1 1 6 LEU N N -2.080 -9.657 -0.375 1.00 . A A . 6 LEU N 1 1 20 6132 1 1 6 LEU O O -1.683 -6.173 0.286 1.00 . A A . 6 LEU O 1 1 20 6133 1 1 7 ALA C C 1.164 -6.521 1.146 1.00 . A A . 7 ALA C 1 1 20 6134 1 1 7 ALA CA C 0.166 -7.209 2.071 1.00 . A A . 7 ALA CA 1 1 20 6135 1 1 7 ALA CB C 0.893 -8.110 3.058 1.00 . A A . 7 ALA CB 1 1 20 6136 1 1 7 ALA H H -0.844 -8.950 1.418 1.00 . A A . 7 ALA H 1 1 20 6137 1 1 7 ALA HA H -0.365 -6.455 2.634 1.00 . A A . 7 ALA HA 1 1 20 6138 1 1 7 ALA HB1 H 0.734 -9.144 2.784 1.00 . A A . 7 ALA HB1 1 1 20 6139 1 1 7 ALA HB2 H 1.950 -7.890 3.035 1.00 . A A . 7 ALA HB2 1 1 20 6140 1 1 7 ALA HB3 H 0.510 -7.938 4.053 1.00 . A A . 7 ALA HB3 1 1 20 6141 1 1 7 ALA N N -0.813 -7.977 1.311 1.00 . A A . 7 ALA N 1 1 20 6142 1 1 7 ALA O O 1.788 -5.528 1.517 1.00 . A A . 7 ALA O 1 1 20 6143 1 1 8 LYS C C 1.736 -5.142 -1.542 1.00 . A A . 8 LYS C 1 1 20 6144 1 1 8 LYS CA C 2.231 -6.495 -1.042 1.00 . A A . 8 LYS CA 1 1 20 6145 1 1 8 LYS CB C 2.400 -7.456 -2.222 1.00 . A A . 8 LYS CB 1 1 20 6146 1 1 8 LYS CD C 4.167 -6.852 -3.903 1.00 . A A . 8 LYS CD 1 1 20 6147 1 1 8 LYS CE C 5.586 -7.115 -4.381 1.00 . A A . 8 LYS CE 1 1 20 6148 1 1 8 LYS CG C 3.845 -7.646 -2.648 1.00 . A A . 8 LYS CG 1 1 20 6149 1 1 8 LYS H H 0.784 -7.850 -0.300 1.00 . A A . 8 LYS H 1 1 20 6150 1 1 8 LYS HA H 3.187 -6.360 -0.560 1.00 . A A . 8 LYS HA 1 1 20 6151 1 1 8 LYS HB2 H 1.997 -8.419 -1.947 1.00 . A A . 8 LYS HB2 1 1 20 6152 1 1 8 LYS HB3 H 1.846 -7.071 -3.066 1.00 . A A . 8 LYS HB3 1 1 20 6153 1 1 8 LYS HD2 H 3.477 -7.138 -4.685 1.00 . A A . 8 LYS HD2 1 1 20 6154 1 1 8 LYS HD3 H 4.057 -5.799 -3.690 1.00 . A A . 8 LYS HD3 1 1 20 6155 1 1 8 LYS HE2 H 5.989 -6.201 -4.792 1.00 . A A . 8 LYS HE2 1 1 20 6156 1 1 8 LYS HE3 H 6.185 -7.424 -3.537 1.00 . A A . 8 LYS HE3 1 1 20 6157 1 1 8 LYS HG2 H 4.494 -7.315 -1.850 1.00 . A A . 8 LYS HG2 1 1 20 6158 1 1 8 LYS HG3 H 4.019 -8.696 -2.843 1.00 . A A . 8 LYS HG3 1 1 20 6159 1 1 8 LYS HZ1 H 5.354 -7.784 -6.346 1.00 . A A . 8 LYS HZ1 1 1 20 6160 1 1 8 LYS HZ2 H 4.983 -8.949 -5.176 1.00 . A A . 8 LYS HZ2 1 1 20 6161 1 1 8 LYS HZ3 H 6.597 -8.560 -5.500 1.00 . A A . 8 LYS HZ3 1 1 20 6162 1 1 8 LYS N N 1.309 -7.058 -0.062 1.00 . A A . 8 LYS N 1 1 20 6163 1 1 8 LYS NZ N 5.634 -8.176 -5.424 1.00 . A A . 8 LYS NZ 1 1 20 6164 1 1 8 LYS O O 2.469 -4.407 -2.203 1.00 . A A . 8 LYS O 1 1 20 6165 1 1 9 VAL C C -0.954 -2.952 -0.519 1.00 . A A . 9 VAL C 1 1 20 6166 1 1 9 VAL CA C -0.104 -3.552 -1.634 1.00 . A A . 9 VAL CA 1 1 20 6167 1 1 9 VAL CB C -0.977 -3.725 -2.892 1.00 . A A . 9 VAL CB 1 1 20 6168 1 1 9 VAL CG1 C -1.264 -2.374 -3.532 1.00 . A A . 9 VAL CG1 1 1 20 6169 1 1 9 VAL CG2 C -0.301 -4.660 -3.884 1.00 . A A . 9 VAL CG2 1 1 20 6170 1 1 9 VAL H H -0.048 -5.446 -0.691 1.00 . A A . 9 VAL H 1 1 20 6171 1 1 9 VAL HA H 0.699 -2.869 -1.868 1.00 . A A . 9 VAL HA 1 1 20 6172 1 1 9 VAL HB H -1.917 -4.165 -2.596 1.00 . A A . 9 VAL HB 1 1 20 6173 1 1 9 VAL HG11 H -1.907 -2.513 -4.389 1.00 . A A . 9 VAL HG11 1 1 20 6174 1 1 9 VAL HG12 H -1.753 -1.732 -2.813 1.00 . A A . 9 VAL HG12 1 1 20 6175 1 1 9 VAL HG13 H -0.337 -1.921 -3.848 1.00 . A A . 9 VAL HG13 1 1 20 6176 1 1 9 VAL HG21 H -0.498 -5.684 -3.603 1.00 . A A . 9 VAL HG21 1 1 20 6177 1 1 9 VAL HG22 H -0.690 -4.476 -4.874 1.00 . A A . 9 VAL HG22 1 1 20 6178 1 1 9 VAL HG23 H 0.764 -4.484 -3.877 1.00 . A A . 9 VAL HG23 1 1 20 6179 1 1 9 VAL N N 0.487 -4.818 -1.220 1.00 . A A . 9 VAL N 1 1 20 6180 1 1 9 VAL O O -2.118 -2.611 -0.727 1.00 . A A . 9 VAL O 1 1 20 6181 1 1 10 ALA C C -0.091 -1.900 2.927 1.00 . A A . 10 ALA C 1 1 20 6182 1 1 10 ALA CA C -1.065 -2.265 1.813 1.00 . A A . 10 ALA CA 1 1 20 6183 1 1 10 ALA CB C -2.110 -3.245 2.323 1.00 . A A . 10 ALA CB 1 1 20 6184 1 1 10 ALA H H 0.567 -3.116 0.768 1.00 . A A . 10 ALA H 1 1 20 6185 1 1 10 ALA HA H -1.575 -1.369 1.488 1.00 . A A . 10 ALA HA 1 1 20 6186 1 1 10 ALA HB1 H -1.619 -4.120 2.722 1.00 . A A . 10 ALA HB1 1 1 20 6187 1 1 10 ALA HB2 H -2.696 -2.775 3.099 1.00 . A A . 10 ALA HB2 1 1 20 6188 1 1 10 ALA HB3 H -2.758 -3.536 1.510 1.00 . A A . 10 ALA HB3 1 1 20 6189 1 1 10 ALA N N -0.364 -2.826 0.665 1.00 . A A . 10 ALA N 1 1 20 6190 1 1 10 ALA O O 0.315 -2.787 3.653 1.00 . A A . 10 ALA O 1 1 20 6191 1 1 11 . C C 2.507 0.760 3.312 1.00 . A A . 11 I4G C 1 1 20 6192 1 1 11 . CA C 1.324 0.089 3.967 1.00 . A A . 11 I4G CA 1 1 20 6193 1 1 11 . CB C -0.228 0.614 2.119 1.00 . A A . 11 I4G CB 1 1 20 6194 1 1 11 . CD1 C -1.310 2.299 3.711 1.00 . A A . 11 I4G CD1 1 1 20 6195 1 1 11 . CD2 C -2.353 1.817 1.462 1.00 . A A . 11 I4G CD2 1 1 20 6196 1 1 11 . CG C -1.559 1.213 2.638 1.00 . A A . 11 I4G CG 1 1 20 6197 1 1 11 . HA2 H 1.653 -0.691 4.499 1.00 . A A . 11 I4G HA2 1 1 20 6198 1 1 11 . HA3 H 0.881 0.746 4.577 1.00 . A A . 11 I4G HA3 1 1 20 6199 1 1 11 . HB2 H -0.370 0.184 1.228 1.00 . A A . 11 I4G HB2 1 1 20 6200 1 1 11 . HB3 H 0.462 1.333 2.036 1.00 . A A . 11 I4G HB3 1 1 20 6201 1 1 11 . HD11 H -2.255 2.732 4.045 1.00 . A A . 11 I4G HD11 1 1 20 6202 1 1 11 . HD12 H -0.806 1.876 4.580 1.00 . A A . 11 I4G HD12 1 1 20 6203 1 1 11 . HD13 H -0.685 3.099 3.308 1.00 . A A . 11 I4G HD13 1 1 20 6204 1 1 11 . HD21 H -3.306 2.222 1.809 1.00 . A A . 11 I4G HD21 1 1 20 6205 1 1 11 . HD22 H -1.787 2.621 0.987 1.00 . A A . 11 I4G HD22 1 1 20 6206 1 1 11 . HD23 H -2.562 1.054 0.709 1.00 . A A . 11 I4G HD23 1 1 20 6207 1 1 11 . HG H -2.164 0.417 3.080 1.00 . A A . 11 I4G HG 1 1 20 6208 1 1 11 . N N 0.301 -0.411 3.032 1.00 . A A . 11 I4G N 1 1 20 6209 1 1 11 . O O 3.164 1.633 3.881 1.00 . A A . 11 I4G O 1 1 20 6210 1 1 12 HIS C C 3.313 1.618 0.035 1.00 . A A . 12 HIS C 1 1 20 6211 1 1 12 HIS CA C 3.849 0.931 1.287 1.00 . A A . 12 HIS CA 1 1 20 6212 1 1 12 HIS CB C 4.853 -0.154 0.899 1.00 . A A . 12 HIS CB 1 1 20 6213 1 1 12 HIS CD2 C 3.230 -2.003 0.079 1.00 . A A . 12 HIS CD2 1 1 20 6214 1 1 12 HIS CE1 C 3.993 -3.660 1.294 1.00 . A A . 12 HIS CE1 1 1 20 6215 1 1 12 HIS CG C 4.255 -1.524 0.822 1.00 . A A . 12 HIS CG 1 1 20 6216 1 1 12 HIS H H 2.202 -0.342 1.672 1.00 . A A . 12 HIS H 1 1 20 6217 1 1 12 HIS HA H 4.346 1.668 1.902 1.00 . A A . 12 HIS HA 1 1 20 6218 1 1 12 HIS HB2 H 5.270 0.081 -0.070 1.00 . A A . 12 HIS HB2 1 1 20 6219 1 1 12 HIS HB3 H 5.648 -0.177 1.630 1.00 . A A . 12 HIS HB3 1 1 20 6220 1 1 12 HIS HD1 H 5.451 -2.559 2.214 1.00 . A A . 12 HIS HD1 1 1 20 6221 1 1 12 HIS HD2 H 2.634 -1.443 -0.629 1.00 . A A . 12 HIS HD2 1 1 20 6222 1 1 12 HIS HE1 H 4.123 -4.640 1.731 1.00 . A A . 12 HIS HE1 1 1 20 6223 1 1 12 HIS N N 2.760 0.357 2.071 1.00 . A A . 12 HIS N 1 1 20 6224 1 1 12 HIS ND1 N 4.710 -2.587 1.573 1.00 . A A . 12 HIS ND1 1 1 20 6225 1 1 12 HIS NE2 N 3.088 -3.332 0.391 1.00 . A A . 12 HIS NE2 1 1 20 6226 1 1 12 HIS O O 4.034 2.356 -0.638 1.00 . A A . 12 HIS O 1 1 20 6227 1 1 13 VAL C C 1.428 3.487 -1.366 1.00 . A A . 13 VAL C 1 1 20 6228 1 1 13 VAL CA C 1.412 1.965 -1.445 1.00 . A A . 13 VAL CA 1 1 20 6229 1 1 13 VAL CB C -0.043 1.486 -1.601 1.00 . A A . 13 VAL CB 1 1 20 6230 1 1 13 VAL CG1 C -0.714 2.186 -2.773 1.00 . A A . 13 VAL CG1 1 1 20 6231 1 1 13 VAL CG2 C -0.091 -0.025 -1.775 1.00 . A A . 13 VAL CG2 1 1 20 6232 1 1 13 VAL H H 1.520 0.774 0.301 1.00 . A A . 13 VAL H 1 1 20 6233 1 1 13 VAL HA H 1.967 1.653 -2.318 1.00 . A A . 13 VAL HA 1 1 20 6234 1 1 13 VAL HB H -0.584 1.740 -0.701 1.00 . A A . 13 VAL HB 1 1 20 6235 1 1 13 VAL HG11 H 0.017 2.779 -3.303 1.00 . A A . 13 VAL HG11 1 1 20 6236 1 1 13 VAL HG12 H -1.135 1.449 -3.441 1.00 . A A . 13 VAL HG12 1 1 20 6237 1 1 13 VAL HG13 H -1.500 2.831 -2.404 1.00 . A A . 13 VAL HG13 1 1 20 6238 1 1 13 VAL HG21 H -1.070 -0.388 -1.501 1.00 . A A . 13 VAL HG21 1 1 20 6239 1 1 13 VAL HG22 H 0.110 -0.276 -2.807 1.00 . A A . 13 VAL HG22 1 1 20 6240 1 1 13 VAL HG23 H 0.654 -0.484 -1.142 1.00 . A A . 13 VAL HG23 1 1 20 6241 1 1 13 VAL N N 2.044 1.370 -0.273 1.00 . A A . 13 VAL N 1 1 20 6242 1 1 13 VAL O O 1.797 4.165 -2.325 1.00 . A A . 13 VAL O 1 1 20 6243 1 1 14 VAL C C 2.332 6.097 -0.379 1.00 . A A . 14 VAL C 1 1 20 6244 1 1 14 VAL CA C 0.997 5.462 -0.009 1.00 . A A . 14 VAL CA 1 1 20 6245 1 1 14 VAL CB C 0.661 5.812 1.452 1.00 . A A . 14 VAL CB 1 1 20 6246 1 1 14 VAL CG1 C 0.689 7.319 1.660 1.00 . A A . 14 VAL CG1 1 1 20 6247 1 1 14 VAL CG2 C -0.693 5.238 1.840 1.00 . A A . 14 VAL CG2 1 1 20 6248 1 1 14 VAL H H 0.745 3.426 0.512 1.00 . A A . 14 VAL H 1 1 20 6249 1 1 14 VAL HA H 0.225 5.873 -0.643 1.00 . A A . 14 VAL HA 1 1 20 6250 1 1 14 VAL HB H 1.412 5.370 2.090 1.00 . A A . 14 VAL HB 1 1 20 6251 1 1 14 VAL HG11 H 1.550 7.584 2.256 1.00 . A A . 14 VAL HG11 1 1 20 6252 1 1 14 VAL HG12 H 0.747 7.813 0.701 1.00 . A A . 14 VAL HG12 1 1 20 6253 1 1 14 VAL HG13 H -0.210 7.629 2.171 1.00 . A A . 14 VAL HG13 1 1 20 6254 1 1 14 VAL HG21 H -1.469 5.734 1.275 1.00 . A A . 14 VAL HG21 1 1 20 6255 1 1 14 VAL HG22 H -0.711 4.180 1.624 1.00 . A A . 14 VAL HG22 1 1 20 6256 1 1 14 VAL HG23 H -0.862 5.393 2.895 1.00 . A A . 14 VAL HG23 1 1 20 6257 1 1 14 VAL N N 1.027 4.018 -0.215 1.00 . A A . 14 VAL N 1 1 20 6258 1 1 14 VAL O O 2.379 7.091 -1.102 1.00 . A A . 14 VAL O 1 1 20 6259 1 1 15 GLY C C 5.015 6.132 -1.653 1.00 . A A . 15 GLY C 1 1 20 6260 1 1 15 GLY CA C 4.740 6.039 -0.166 1.00 . A A . 15 GLY CA 1 1 20 6261 1 1 15 GLY H H 3.319 4.725 0.694 1.00 . A A . 15 GLY H 1 1 20 6262 1 1 15 GLY HA2 H 4.829 7.023 0.268 1.00 . A A . 15 GLY HA2 1 1 20 6263 1 1 15 GLY HA3 H 5.477 5.391 0.285 1.00 . A A . 15 GLY HA3 1 1 20 6264 1 1 15 GLY N N 3.418 5.516 0.123 1.00 . A A . 15 GLY N 1 1 20 6265 1 1 15 GLY O O 5.860 6.913 -2.088 1.00 . A A . 15 GLY O 1 1 20 6266 1 1 16 ALA C C 3.516 6.308 -4.553 1.00 . A A . 16 ALA C 1 1 20 6267 1 1 16 ALA CA C 4.471 5.325 -3.884 1.00 . A A . 16 ALA CA 1 1 20 6268 1 1 16 ALA CB C 4.260 3.923 -4.436 1.00 . A A . 16 ALA CB 1 1 20 6269 1 1 16 ALA H H 3.641 4.729 -2.032 1.00 . A A . 16 ALA H 1 1 20 6270 1 1 16 ALA HA H 5.487 5.623 -4.101 1.00 . A A . 16 ALA HA 1 1 20 6271 1 1 16 ALA HB1 H 3.273 3.577 -4.169 1.00 . A A . 16 ALA HB1 1 1 20 6272 1 1 16 ALA HB2 H 4.359 3.942 -5.511 1.00 . A A . 16 ALA HB2 1 1 20 6273 1 1 16 ALA HB3 H 5.000 3.258 -4.017 1.00 . A A . 16 ALA HB3 1 1 20 6274 1 1 16 ALA N N 4.300 5.331 -2.436 1.00 . A A . 16 ALA N 1 1 20 6275 1 1 16 ALA O O 3.931 7.143 -5.356 1.00 . A A . 16 ALA O 1 1 20 6276 1 1 17 ILE C C 1.567 8.547 -4.543 1.00 . A A . 17 ILE C 1 1 20 6277 1 1 17 ILE CA C 1.220 7.081 -4.786 1.00 . A A . 17 ILE CA 1 1 20 6278 1 1 17 ILE CB C -0.172 6.790 -4.198 1.00 . A A . 17 ILE CB 1 1 20 6279 1 1 17 ILE CD1 C -1.898 4.951 -3.854 1.00 . A A . 17 ILE CD1 1 1 20 6280 1 1 17 ILE CG1 C -0.566 5.335 -4.461 1.00 . A A . 17 ILE CG1 1 1 20 6281 1 1 17 ILE CG2 C -1.205 7.740 -4.786 1.00 . A A . 17 ILE CG2 1 1 20 6282 1 1 17 ILE H H 1.964 5.516 -3.572 1.00 . A A . 17 ILE H 1 1 20 6283 1 1 17 ILE HA H 1.184 6.903 -5.851 1.00 . A A . 17 ILE HA 1 1 20 6284 1 1 17 ILE HB H -0.131 6.956 -3.132 1.00 . A A . 17 ILE HB 1 1 20 6285 1 1 17 ILE HD11 H -1.850 5.061 -2.781 1.00 . A A . 17 ILE HD11 1 1 20 6286 1 1 17 ILE HD12 H -2.672 5.591 -4.249 1.00 . A A . 17 ILE HD12 1 1 20 6287 1 1 17 ILE HD13 H -2.122 3.922 -4.100 1.00 . A A . 17 ILE HD13 1 1 20 6288 1 1 17 ILE HG12 H -0.628 5.173 -5.525 1.00 . A A . 17 ILE HG12 1 1 20 6289 1 1 17 ILE HG13 H 0.189 4.684 -4.045 1.00 . A A . 17 ILE HG13 1 1 20 6290 1 1 17 ILE HG21 H -0.732 8.378 -5.517 1.00 . A A . 17 ILE HG21 1 1 20 6291 1 1 17 ILE HG22 H -1.989 7.168 -5.261 1.00 . A A . 17 ILE HG22 1 1 20 6292 1 1 17 ILE HG23 H -1.627 8.345 -3.998 1.00 . A A . 17 ILE HG23 1 1 20 6293 1 1 17 ILE N N 2.234 6.202 -4.217 1.00 . A A . 17 ILE N 1 1 20 6294 1 1 17 ILE O O 1.318 9.402 -5.393 1.00 . A A . 17 ILE O 1 1 20 6295 1 1 18 ALA C C 3.754 10.635 -3.810 1.00 . A A . 18 ALA C 1 1 20 6296 1 1 18 ALA CA C 2.525 10.189 -3.025 1.00 . A A . 18 ALA CA 1 1 20 6297 1 1 18 ALA CB C 2.785 10.293 -1.530 1.00 . A A . 18 ALA CB 1 1 20 6298 1 1 18 ALA H H 2.313 8.103 -2.743 1.00 . A A . 18 ALA H 1 1 20 6299 1 1 18 ALA HA H 1.698 10.842 -3.269 1.00 . A A . 18 ALA HA 1 1 20 6300 1 1 18 ALA HB1 H 2.841 11.335 -1.247 1.00 . A A . 18 ALA HB1 1 1 20 6301 1 1 18 ALA HB2 H 1.979 9.816 -0.991 1.00 . A A . 18 ALA HB2 1 1 20 6302 1 1 18 ALA HB3 H 3.718 9.804 -1.292 1.00 . A A . 18 ALA HB3 1 1 20 6303 1 1 18 ALA N N 2.141 8.828 -3.379 1.00 . A A . 18 ALA N 1 1 20 6304 1 1 18 ALA O O 4.086 11.820 -3.841 1.00 . A A . 18 ALA O 1 1 20 6305 1 1 19 GLU C C 5.254 10.661 -6.538 1.00 . A A . 19 GLU C 1 1 20 6306 1 1 19 GLU CA C 5.620 9.973 -5.225 1.00 . A A . 19 GLU CA 1 1 20 6307 1 1 19 GLU CB C 6.400 8.688 -5.511 1.00 . A A . 19 GLU CB 1 1 20 6308 1 1 19 GLU CD C 8.708 8.481 -4.505 1.00 . A A . 19 GLU CD 1 1 20 6309 1 1 19 GLU CG C 7.890 8.911 -5.707 1.00 . A A . 19 GLU CG 1 1 20 6310 1 1 19 GLU H H 4.112 8.751 -4.380 1.00 . A A . 19 GLU H 1 1 20 6311 1 1 19 GLU HA H 6.241 10.639 -4.645 1.00 . A A . 19 GLU HA 1 1 20 6312 1 1 19 GLU HB2 H 6.264 8.007 -4.683 1.00 . A A . 19 GLU HB2 1 1 20 6313 1 1 19 GLU HB3 H 6.005 8.233 -6.407 1.00 . A A . 19 GLU HB3 1 1 20 6314 1 1 19 GLU HG2 H 8.216 8.345 -6.566 1.00 . A A . 19 GLU HG2 1 1 20 6315 1 1 19 GLU HG3 H 8.064 9.963 -5.884 1.00 . A A . 19 GLU HG3 1 1 20 6316 1 1 19 GLU N N 4.426 9.678 -4.442 1.00 . A A . 19 GLU N 1 1 20 6317 1 1 19 GLU O O 5.818 11.699 -6.886 1.00 . A A . 19 GLU O 1 1 20 6318 1 1 19 GLU OE1 O 8.953 7.265 -4.360 1.00 . A A . 19 GLU OE1 1 1 20 6319 1 1 19 GLU OE2 O 9.103 9.360 -3.709 1.00 . A A . 19 GLU OE2 1 1 20 6320 1 1 20 HIS C C 2.916 11.804 -8.316 1.00 . A A . 20 HIS C 1 1 20 6321 1 1 20 HIS CA C 3.863 10.630 -8.536 1.00 . A A . 20 HIS CA 1 1 20 6322 1 1 20 HIS CB C 3.174 9.552 -9.373 1.00 . A A . 20 HIS CB 1 1 20 6323 1 1 20 HIS CD2 C 1.040 8.695 -8.175 1.00 . A A . 20 HIS CD2 1 1 20 6324 1 1 20 HIS CE1 C -0.450 9.794 -9.349 1.00 . A A . 20 HIS CE1 1 1 20 6325 1 1 20 HIS CG C 1.707 9.426 -9.098 1.00 . A A . 20 HIS CG 1 1 20 6326 1 1 20 HIS H H 3.894 9.249 -6.931 1.00 . A A . 20 HIS H 1 1 20 6327 1 1 20 HIS HA H 4.736 10.982 -9.065 1.00 . A A . 20 HIS HA 1 1 20 6328 1 1 20 HIS HB2 H 3.296 9.788 -10.421 1.00 . A A . 20 HIS HB2 1 1 20 6329 1 1 20 HIS HB3 H 3.634 8.597 -9.169 1.00 . A A . 20 HIS HB3 1 1 20 6330 1 1 20 HIS HD1 H 0.914 10.719 -10.561 1.00 . A A . 20 HIS HD1 1 1 20 6331 1 1 20 HIS HD2 H 1.479 8.038 -7.436 1.00 . A A . 20 HIS HD2 1 1 20 6332 1 1 20 HIS HE1 H -1.392 10.174 -9.717 1.00 . A A . 20 HIS HE1 1 1 20 6333 1 1 20 HIS N N 4.306 10.074 -7.261 1.00 . A A . 20 HIS N 1 1 20 6334 1 1 20 HIS ND1 N 0.745 10.103 -9.818 1.00 . A A . 20 HIS ND1 1 1 20 6335 1 1 20 HIS NE2 N -0.299 8.940 -8.352 1.00 . A A . 20 HIS NE2 1 1 20 6336 1 1 20 HIS O O 2.767 12.667 -9.182 1.00 . A A . 20 HIS O 1 1 20 6337 1 1 21 PHE C C 1.854 13.729 -5.647 1.00 . A A . 21 PHE C 1 1 20 6338 1 1 21 PHE CA C 1.338 12.899 -6.820 1.00 . A A . 21 PHE CA 1 1 20 6339 1 1 21 PHE CB C -0.036 12.316 -6.481 1.00 . A A . 21 PHE CB 1 1 20 6340 1 1 21 PHE CD1 C -1.385 13.070 -8.458 1.00 . A A . 21 PHE CD1 1 1 20 6341 1 1 21 PHE CD2 C -2.044 13.809 -6.288 1.00 . A A . 21 PHE CD2 1 1 20 6342 1 1 21 PHE CE1 C -2.435 13.773 -9.020 1.00 . A A . 21 PHE CE1 1 1 20 6343 1 1 21 PHE CE2 C -3.096 14.512 -6.843 1.00 . A A . 21 PHE CE2 1 1 20 6344 1 1 21 PHE CG C -1.178 13.080 -7.088 1.00 . A A . 21 PHE CG 1 1 20 6345 1 1 21 PHE CZ C -3.291 14.495 -8.211 1.00 . A A . 21 PHE CZ 1 1 20 6346 1 1 21 PHE H H 2.433 11.115 -6.502 1.00 . A A . 21 PHE H 1 1 20 6347 1 1 21 PHE HA H 1.245 13.538 -7.683 1.00 . A A . 21 PHE HA 1 1 20 6348 1 1 21 PHE HB2 H -0.087 11.300 -6.845 1.00 . A A . 21 PHE HB2 1 1 20 6349 1 1 21 PHE HB3 H -0.165 12.318 -5.409 1.00 . A A . 21 PHE HB3 1 1 20 6350 1 1 21 PHE HD1 H -0.715 12.506 -9.091 1.00 . A A . 21 PHE HD1 1 1 20 6351 1 1 21 PHE HD2 H -1.892 13.823 -5.219 1.00 . A A . 21 PHE HD2 1 1 20 6352 1 1 21 PHE HE1 H -2.585 13.757 -10.089 1.00 . A A . 21 PHE HE1 1 1 20 6353 1 1 21 PHE HE2 H -3.763 15.076 -6.210 1.00 . A A . 21 PHE HE2 1 1 20 6354 1 1 21 PHE HZ H -4.112 15.043 -8.647 1.00 . A A . 21 PHE HZ 1 1 20 6355 1 1 21 PHE N N 2.273 11.831 -7.152 1.00 . A A . 21 PHE N 1 1 20 6356 1 1 21 PHE O O 1.105 14.216 -4.836 1.00 . A A . 21 PHE O 1 1 20 6357 1 1 22 NH2 HN1 H 3.901 13.453 -6.294 1.00 . A A . 22 NH2 HN1 1 1 20 6358 1 1 22 NH2 HN2 H 3.745 14.435 -4.806 1.00 . A A . 22 NH2 HN2 1 1 20 6359 1 1 22 NH2 N N 3.359 13.903 -5.562 1.00 . A A . 22 NH2 N 1 1 20 6360 2 2 1 UNX UNK . -13.982 0.974 -11.535 1.00 . B A . 100 UNX UNK 1 1 stop_ save_
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