NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
591317 | 2n30 | 25631 | cing | 4-filtered-FRED | STAR | entry | full | 132 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2n30 # This FRED archive file contains, for PDB entry <2n30>: # # - 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_2n30 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2n30 _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 2791.04 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 $Hemocyanin_subunit_L2 A . 1 1 stop_ save_ save_Hemocyanin_subunit_L2 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Hemocyanin subunit L2" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code XFEDLPNFGHIQVKVFNHGEHIHHX _Entity.Number_of_monomers 25 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 ACE $ACE 1 1 2 PHE . 1 1 3 GLU . 1 1 4 ASP . 1 1 5 LEU . 1 1 6 PRO . 1 1 7 ASN . 1 1 8 PHE . 1 1 9 GLY . 1 1 10 HIS . 1 1 11 ILE . 1 1 12 GLN . 1 1 13 VAL . 1 1 14 LYS . 1 1 15 VAL . 1 1 16 PHE . 1 1 17 ASN . 1 1 18 HIS . 1 1 19 GLY . 1 1 20 GLU . 1 1 21 HIS . 1 1 22 ILE . 1 1 23 HIS . 1 1 24 HIS . 1 1 25 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 ACE 1 1 1 1 PHE 2 2 1 1 GLU 3 3 1 1 ASP 4 4 1 1 LEU 5 5 1 1 PRO 6 6 1 1 ASN 7 7 1 1 PHE 8 8 1 1 GLY 9 9 1 1 HIS 10 10 1 1 ILE 11 11 1 1 GLN 12 12 1 1 VAL 13 13 1 1 LYS 14 14 1 1 VAL 15 15 1 1 PHE 16 16 1 1 ASN 17 17 1 1 HIS 18 18 1 1 GLY 19 19 1 1 GLU 20 20 1 1 HIS 21 21 1 1 ILE 22 22 1 1 HIS 23 23 1 1 HIS 24 24 1 1 NH2 25 25 1 1 stop_ save_ save_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID NH2 _Chem_comp.Type non-polymer save_ save_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID ACE _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 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 3 GLU H . 2 . HN 1 1 1 1 2 1 1 3 GLU HA . 2 . HA 1 1 2 1 1 1 1 3 GLU H . 2 . HN 1 1 2 1 2 1 1 4 ASP H . 3 . HN 1 1 3 1 1 1 1 3 GLU HA . 2 . HA 1 1 3 1 2 1 1 4 ASP H . 3 . HN 1 1 4 1 1 1 1 4 ASP H . 3 . HN 1 1 4 1 2 1 1 4 ASP HA . 3 . HA 1 1 5 1 1 1 1 4 ASP H . 3 . HN 1 1 5 1 2 1 1 4 ASP QB . 3 . HB* 1 1 6 1 1 1 1 4 ASP H . 3 . HN 1 1 6 1 2 1 1 5 LEU H . 4 . HN 1 1 7 1 1 1 1 4 ASP HA . 3 . HA 1 1 7 1 2 1 1 5 LEU H . 4 . HN 1 1 8 1 1 1 1 5 LEU H . 4 . HN 1 1 8 1 2 1 1 5 LEU QB . 4 . HB* 1 1 9 1 1 1 1 5 LEU HA . 4 . HA 1 1 9 1 2 1 1 5 LEU QB . 4 . HB* 1 1 10 1 1 1 1 5 LEU HA . 4 . HA 1 1 10 1 2 1 1 5 LEU QD . 4 . HD* 1 1 11 1 1 1 1 5 LEU QB . 4 . HB* 1 1 11 1 2 1 1 7 ASN H . 6 . HN 1 1 12 1 1 1 1 6 PRO HA . 5 . HA 1 1 12 1 2 1 1 6 PRO QB . 5 . HB* 1 1 13 1 1 1 1 6 PRO HA . 5 . HA 1 1 13 1 2 1 1 7 ASN H . 6 . HN 1 1 14 1 1 1 1 6 PRO QB . 5 . HB* 1 1 14 1 2 1 1 6 PRO QD . 5 . HD* 1 1 15 1 1 1 1 6 PRO QB . 5 . HB* 1 1 15 1 2 1 1 6 PRO QG . 5 . HG* 1 1 16 1 1 1 1 7 ASN H . 6 . HN 1 1 16 1 2 1 1 7 ASN HA . 6 . HA 1 1 17 1 1 1 1 7 ASN H . 6 . HN 1 1 17 1 2 1 1 7 ASN QB . 6 . HB* 1 1 18 1 1 1 1 7 ASN HA . 6 . HA 1 1 18 1 2 1 1 7 ASN QB . 6 . HB* 1 1 19 1 1 1 1 7 ASN HA . 6 . HA 1 1 19 1 2 1 1 8 PHE H . 7 . HN 1 1 20 1 1 1 1 7 ASN HA . 6 . HA 1 1 20 1 2 1 1 10 HIS H . 9 . HN 1 1 21 1 1 1 1 7 ASN QB . 6 . HB* 1 1 21 1 2 1 1 8 PHE H . 7 . HN 1 1 22 1 1 1 1 8 PHE H . 7 . HN 1 1 22 1 2 1 1 8 PHE HA . 7 . HA 1 1 23 1 1 1 1 8 PHE H . 7 . HN 1 1 23 1 2 1 1 8 PHE QB . 7 . HB* 1 1 24 1 1 1 1 8 PHE H . 7 . HN 1 1 24 1 2 1 1 9 GLY H . 8 . HN 1 1 25 1 1 1 1 8 PHE HA . 7 . HA 1 1 25 1 2 1 1 11 ILE H . 10 . HN 1 1 26 1 1 1 1 8 PHE HA . 7 . HA 1 1 26 1 2 1 1 11 ILE HB . 10 . HB 1 1 27 1 1 1 1 8 PHE HA . 7 . HA 1 1 27 1 2 1 1 11 ILE MD . 10 . HD* 1 1 28 1 1 1 1 8 PHE QB . 7 . HB* 1 1 28 1 2 1 1 9 GLY H . 8 . HN 1 1 29 1 1 1 1 9 GLY H . 8 . HN 1 1 29 1 2 1 1 9 GLY QA . 8 . HA* 1 1 30 1 1 1 1 9 GLY QA . 8 . HA* 1 1 30 1 2 1 1 10 HIS H . 9 . HN 1 1 31 1 1 1 1 10 HIS H . 9 . HN 1 1 31 1 2 1 1 10 HIS HA . 9 . HA 1 1 32 1 1 1 1 10 HIS H . 9 . HN 1 1 32 1 2 1 1 10 HIS QB . 9 . HB* 1 1 33 1 1 1 1 10 HIS H . 9 . HN 1 1 33 1 2 1 1 11 ILE H . 10 . HN 1 1 34 1 1 1 1 10 HIS HA . 9 . HA 1 1 34 1 2 1 1 11 ILE H . 10 . HN 1 1 35 1 1 1 1 10 HIS HA . 9 . HA 1 1 35 1 2 1 1 13 VAL HB . 12 . HB 1 1 36 1 1 1 1 10 HIS HA . 9 . HA 1 1 36 1 2 1 1 13 VAL QG . 12 . HG* 1 1 37 1 1 1 1 10 HIS QB . 9 . HB* 1 1 37 1 2 1 1 11 ILE H . 10 . HN 1 1 38 1 1 1 1 11 ILE H . 10 . HN 1 1 38 1 2 1 1 11 ILE HA . 10 . HA 1 1 39 1 1 1 1 11 ILE H . 10 . HN 1 1 39 1 2 1 1 11 ILE QG . 10 . HG1* 1 1 40 1 1 1 1 11 ILE H . 10 . HN 1 1 40 1 2 1 1 12 GLN H . 11 . HN 1 1 41 1 1 1 1 11 ILE HA . 10 . HA 1 1 41 1 2 1 1 11 ILE QG . 10 . HG1* 1 1 42 1 1 1 1 11 ILE HA . 10 . HA 1 1 42 1 2 1 1 11 ILE MG . 10 . HG2* 1 1 43 1 1 1 1 11 ILE HB . 10 . HB 1 1 43 1 2 1 1 11 ILE MG . 10 . HG2* 1 1 44 1 1 1 1 11 ILE MD . 10 . HD* 1 1 44 1 2 1 1 11 ILE QG . 10 . HG* 1 1 44 1 2 1 1 11 ILE MG . 10 . HG* 1 1 45 1 1 1 1 11 ILE MG . 10 . HG2* 1 1 45 1 2 1 1 12 GLN H . 11 . HN 1 1 46 1 1 1 1 12 GLN H . 11 . HN 1 1 46 1 2 1 1 12 GLN HA . 11 . HA 1 1 47 1 1 1 1 12 GLN HA . 11 . HA 1 1 47 1 2 1 1 12 GLN QB . 11 . HB* 1 1 48 1 1 1 1 12 GLN HA . 11 . HA 1 1 48 1 2 1 1 12 GLN QG . 11 . HG* 1 1 49 1 1 1 1 12 GLN QB . 11 . HB* 1 1 49 1 2 1 1 12 GLN QG . 11 . HG* 1 1 50 1 1 1 1 12 GLN QB . 11 . HB* 1 1 50 1 2 1 1 13 VAL H . 12 . HN 1 1 51 1 1 1 1 13 VAL H . 12 . HN 1 1 51 1 2 1 1 13 VAL HA . 12 . HA 1 1 52 1 1 1 1 13 VAL H . 12 . HN 1 1 52 1 2 1 1 13 VAL HB . 12 . HB 1 1 53 1 1 1 1 13 VAL H . 12 . HN 1 1 53 1 2 1 1 13 VAL QG . 12 . HG* 1 1 54 1 1 1 1 13 VAL H . 12 . HN 1 1 54 1 2 1 1 14 LYS H . 13 . HN 1 1 55 1 1 1 1 13 VAL HA . 12 . HA 1 1 55 1 2 1 1 13 VAL QG . 12 . HG* 1 1 56 1 1 1 1 13 VAL HA . 12 . HA 1 1 56 1 2 1 1 14 LYS H . 13 . HN 1 1 57 1 1 1 1 13 VAL HA . 12 . HA 1 1 57 1 2 1 1 16 PHE H . 15 . HN 1 1 58 1 1 1 1 13 VAL HA . 12 . HA 1 1 58 1 2 1 1 17 ASN H . 16 . HN 1 1 59 1 1 1 1 13 VAL HB . 12 . HB 1 1 59 1 2 1 1 14 LYS H . 13 . HN 1 1 60 1 1 1 1 13 VAL QG . 12 . HG* 1 1 60 1 2 1 1 14 LYS H . 13 . HN 1 1 61 1 1 1 1 13 VAL QG . 12 . HG* 1 1 61 1 2 1 1 17 ASN HD21 . 16 . HD21 1 1 62 1 1 1 1 14 LYS H . 13 . HN 1 1 62 1 2 1 1 14 LYS HA . 13 . HA 1 1 63 1 1 1 1 14 LYS H . 13 . HN 1 1 63 1 2 1 1 14 LYS QB . 13 . HB* 1 1 64 1 1 1 1 14 LYS H . 13 . HN 1 1 64 1 2 1 1 14 LYS QD . 13 . HD* 1 1 65 1 1 1 1 14 LYS H . 13 . HN 1 1 65 1 2 1 1 15 VAL H . 14 . HN 1 1 66 1 1 1 1 14 LYS HA . 13 . HA 1 1 66 1 2 1 1 17 ASN H . 16 . HN 1 1 67 1 1 1 1 14 LYS HA . 13 . HA 1 1 67 1 2 1 1 18 HIS H . 17 . HN 1 1 68 1 1 1 1 14 LYS QB . 13 . HB* 1 1 68 1 2 1 1 15 VAL H . 14 . HN 1 1 69 1 1 1 1 14 LYS QD . 13 . HD* 1 1 69 1 2 1 1 14 LYS QG . 13 . HG* 1 1 70 1 1 1 1 15 VAL H . 14 . HN 1 1 70 1 2 1 1 15 VAL HA . 14 . HA 1 1 71 1 1 1 1 15 VAL H . 14 . HN 1 1 71 1 2 1 1 15 VAL HB . 14 . HB 1 1 72 1 1 1 1 15 VAL H . 14 . HN 1 1 72 1 2 1 1 15 VAL QG . 14 . HG* 1 1 73 1 1 1 1 15 VAL H . 14 . HN 1 1 73 1 2 1 1 16 PHE H . 15 . HN 1 1 74 1 1 1 1 15 VAL HA . 14 . HA 1 1 74 1 2 1 1 15 VAL QG . 14 . HG* 1 1 75 1 1 1 1 15 VAL HA . 14 . HA 1 1 75 1 2 1 1 16 PHE H . 15 . HN 1 1 76 1 1 1 1 15 VAL HA . 14 . HA 1 1 76 1 2 1 1 18 HIS H . 17 . HN 1 1 77 1 1 1 1 15 VAL HB . 14 . HB 1 1 77 1 2 1 1 16 PHE H . 15 . HN 1 1 78 1 1 1 1 15 VAL MG1 . 14 . HG1* 1 1 78 1 2 1 1 15 VAL MG2 . 14 . HG2* 1 1 79 1 1 1 1 15 VAL QG . 14 . HG* 1 1 79 1 2 1 1 16 PHE H . 15 . HN 1 1 80 1 1 1 1 16 PHE H . 15 . HN 1 1 80 1 2 1 1 16 PHE HA . 15 . HA 1 1 81 1 1 1 1 16 PHE H . 15 . HN 1 1 81 1 2 1 1 16 PHE QB . 15 . HB* 1 1 82 1 1 1 1 16 PHE H . 15 . HN 1 1 82 1 2 1 1 17 ASN H . 16 . HN 1 1 83 1 1 1 1 16 PHE HA . 15 . HA 1 1 83 1 2 1 1 16 PHE QB . 15 . HB* 1 1 84 1 1 1 1 16 PHE HA . 15 . HA 1 1 84 1 2 1 1 17 ASN H . 16 . HN 1 1 85 1 1 1 1 16 PHE HA . 15 . HA 1 1 85 1 2 1 1 19 GLY H . 18 . HN 1 1 86 1 1 1 1 16 PHE QB . 15 . HB* 1 1 86 1 2 1 1 17 ASN H . 16 . HN 1 1 87 1 1 1 1 17 ASN H . 16 . HN 1 1 87 1 2 1 1 17 ASN HA . 16 . HA 1 1 88 1 1 1 1 17 ASN H . 16 . HN 1 1 88 1 2 1 1 17 ASN QB . 16 . HB* 1 1 89 1 1 1 1 17 ASN H . 16 . HN 1 1 89 1 2 1 1 18 HIS H . 17 . HN 1 1 90 1 1 1 1 17 ASN HA . 16 . HA 1 1 90 1 2 1 1 17 ASN QB . 16 . HB* 1 1 91 1 1 1 1 17 ASN HA . 16 . HA 1 1 91 1 2 1 1 20 GLU H . 19 . HN 1 1 92 1 1 1 1 17 ASN QB . 16 . HB* 1 1 92 1 2 1 1 18 HIS H . 17 . HN 1 1 93 1 1 1 1 18 HIS H . 17 . HN 1 1 93 1 2 1 1 18 HIS HA . 17 . HA 1 1 94 1 1 1 1 18 HIS H . 17 . HN 1 1 94 1 2 1 1 18 HIS QB . 17 . HB* 1 1 95 1 1 1 1 18 HIS HA . 17 . HA 1 1 95 1 2 1 1 18 HIS HD2 . 17 . HD2 1 1 96 1 1 1 1 18 HIS HA . 17 . HA 1 1 96 1 2 1 1 19 GLY H . 18 . HN 1 1 97 1 1 1 1 18 HIS QB . 17 . HB* 1 1 97 1 2 1 1 18 HIS HD2 . 17 . HD2 1 1 98 1 1 1 1 18 HIS QB . 17 . HB* 1 1 98 1 2 1 1 19 GLY H . 18 . HN 1 1 99 1 1 1 1 19 GLY H . 18 . HN 1 1 99 1 2 1 1 19 GLY QA . 18 . HA* 1 1 100 1 1 1 1 19 GLY H . 18 . HN 1 1 100 1 2 1 1 20 GLU H . 19 . HN 1 1 101 1 1 1 1 19 GLY QA . 18 . HA* 1 1 101 1 2 1 1 20 GLU H . 19 . HN 1 1 102 1 1 1 1 20 GLU H . 19 . HN 1 1 102 1 2 1 1 20 GLU HA . 19 . HA 1 1 103 1 1 1 1 20 GLU H . 19 . HN 1 1 103 1 2 1 1 21 HIS H . 20 . HN 1 1 104 1 1 1 1 20 GLU HA . 19 . HA 1 1 104 1 2 1 1 20 GLU QB . 19 . HB* 1 1 105 1 1 1 1 20 GLU HA . 19 . HA 1 1 105 1 2 1 1 21 HIS H . 20 . HN 1 1 106 1 1 1 1 21 HIS H . 20 . HN 1 1 106 1 2 1 1 21 HIS HA . 20 . HA 1 1 107 1 1 1 1 21 HIS H . 20 . HN 1 1 107 1 2 1 1 21 HIS QB . 20 . HB* 1 1 108 1 1 1 1 21 HIS HA . 20 . HA 1 1 108 1 2 1 1 21 HIS HD2 . 20 . HD2 1 1 109 1 1 1 1 21 HIS HA . 20 . HA 1 1 109 1 2 1 1 22 ILE H . 21 . HN 1 1 110 1 1 1 1 21 HIS QB . 20 . HB* 1 1 110 1 2 1 1 21 HIS HD2 . 20 . HD2 1 1 111 1 1 1 1 21 HIS QB . 20 . HB* 1 1 111 1 2 1 1 22 ILE H . 21 . HN 1 1 112 1 1 1 1 22 ILE H . 21 . HN 1 1 112 1 2 1 1 22 ILE HA . 21 . HA 1 1 113 1 1 1 1 22 ILE H . 21 . HN 1 1 113 1 2 1 1 22 ILE HB . 21 . HB 1 1 114 1 1 1 1 22 ILE H . 21 . HN 1 1 114 1 2 1 1 22 ILE QG . 21 . HG1* 1 1 115 1 1 1 1 22 ILE H . 21 . HN 1 1 115 1 2 1 1 22 ILE MG . 21 . HG2* 1 1 116 1 1 1 1 22 ILE H . 21 . HN 1 1 116 1 2 1 1 23 HIS H . 22 . HN 1 1 117 1 1 1 1 22 ILE HA . 21 . HA 1 1 117 1 2 1 1 22 ILE HB . 21 . HB 1 1 118 1 1 1 1 22 ILE HA . 21 . HA 1 1 118 1 2 1 1 22 ILE MG . 21 . HG2* 1 1 119 1 1 1 1 22 ILE HA . 21 . HA 1 1 119 1 2 1 1 23 HIS H . 22 . HN 1 1 120 1 1 1 1 22 ILE QG . 21 . HG1* 1 1 120 1 2 1 1 22 ILE MG . 21 . HG2* 1 1 121 1 1 1 1 22 ILE MG . 21 . HG2* 1 1 121 1 2 1 1 23 HIS H . 22 . HN 1 1 122 1 1 1 1 23 HIS H . 22 . HN 1 1 122 1 2 1 1 23 HIS HA . 22 . HA 1 1 123 1 1 1 1 23 HIS H . 22 . HN 1 1 123 1 2 1 1 23 HIS QB . 22 . HB* 1 1 124 1 1 1 1 23 HIS QB . 22 . HB* 1 1 124 1 2 1 1 23 HIS HD2 . 22 . HD2 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 3.0 2.2 3.8 1 1 2 1 . . . . . 3.1 2.3 3.9 1 1 3 1 . . . . . 2.9 2.2 3.6 1 1 4 1 . . . . . 2.9 2.2 3.6 1 1 5 1 . . . . . 3.2 2.4 4.0 1 1 6 1 . . . . . 2.6 1.9 3.3 1 1 7 1 . . . . . 2.7 2.0 3.4 1 1 8 1 . . . . . 2.4 1.8 3.0 1 1 9 1 . . . . . 2.9 2.2 3.6 1 1 10 1 . . . . . 3.0 2.2 3.8 1 1 11 1 . . . . . 3.1 2.3 3.9 1 1 12 1 . . . . . 3.0 2.2 3.8 1 1 13 1 . . . . . 2.5 1.9 3.1 1 1 14 1 . . . . . 2.7 2.0 3.4 1 1 15 1 . . . . . 2.7 2.0 3.4 1 1 16 1 . . . . . 2.3 1.8 2.9 1 1 17 1 . . . . . 2.7 2.0 3.4 1 1 18 1 . . . . . 2.9 2.2 3.6 1 1 19 1 . . . . . 2.7 2.0 3.4 1 1 20 1 . . . . . 3.1 2.3 3.9 1 1 21 1 . . . . . 2.8 2.1 3.5 1 1 22 1 . . . . . 2.4 1.8 3.0 1 1 23 1 . . . . . 2.4 1.8 3.0 1 1 24 1 . . . . . 2.4 1.8 3.0 1 1 25 1 . . . . . 3.0 2.2 3.8 1 1 26 1 . . . . . 2.7 2.0 3.4 1 1 27 1 . . . . . 3.2 2.4 4.0 1 1 28 1 . . . . . 2.8 2.1 3.5 1 1 29 1 . . . . . 2.1 1.8 2.6 1 1 30 1 . . . . . 2.5 1.9 3.1 1 1 31 1 . . . . . 2.5 1.9 3.1 1 1 32 1 . . . . . 2.7 2.0 3.4 1 1 33 1 . . . . . 2.7 2.0 3.4 1 1 34 1 . . . . . 3.0 2.2 3.8 1 1 35 1 . . . . . 2.9 2.2 3.6 1 1 36 1 . . . . . 2.9 2.2 3.6 1 1 37 1 . . . . . 3.5 2.6 4.4 1 1 38 1 . . . . . 2.5 1.9 3.1 1 1 39 1 . . . . . 3.4 2.5 4.3 1 1 40 1 . . . . . 2.5 1.9 3.1 1 1 41 1 . . . . . 3.0 2.2 3.8 1 1 42 1 . . . . . 2.7 2.0 3.4 1 1 43 1 . . . . . 2.3 1.8 2.9 1 1 44 1 . . . . . 2.0 1.8 2.5 1 1 45 1 . . . . . 3.0 2.2 3.8 1 1 46 1 . . . . . 2.5 1.9 3.1 1 1 47 1 . . . . . 2.3 1.8 2.9 1 1 48 1 . . . . . 3.0 2.2 3.8 1 1 49 1 . . . . . 1.9 1.8 2.4 1 1 50 1 . . . . . 2.6 1.9 3.3 1 1 51 1 . . . . . 2.3 1.8 2.9 1 1 52 1 . . . . . 2.3 1.8 2.9 1 1 53 1 . . . . . 2.7 2.0 3.4 1 1 54 1 . . . . . 2.3 1.8 2.9 1 1 55 1 . . . . . 2.7 2.0 3.4 1 1 56 1 . . . . . 2.7 2.0 3.4 1 1 57 1 . . . . . 3.1 2.3 3.9 1 1 58 1 . . . . . 3.6 2.7 4.5 1 1 59 1 . . . . . 2.7 2.0 3.4 1 1 60 1 . . . . . 3.4 2.5 4.3 1 1 61 1 . . . . . 3.2 2.4 4.0 1 1 62 1 . . . . . 2.5 1.9 3.1 1 1 63 1 . . . . . 2.4 1.8 3.0 1 1 64 1 . . . . . 3.1 2.3 3.9 1 1 65 1 . . . . . 2.7 2.0 3.4 1 1 66 1 . . . . . 3.1 2.3 3.9 1 1 67 1 . . . . . 3.6 2.7 4.5 1 1 68 1 . . . . . 2.8 2.1 3.5 1 1 69 1 . . . . . 2.2 1.8 2.8 1 1 70 1 . . . . . 2.5 1.9 3.1 1 1 71 1 . . . . . 2.4 1.8 3.0 1 1 72 1 . . . . . 2.5 1.9 3.1 1 1 73 1 . . . . . 2.5 1.9 3.1 1 1 74 1 . . . . . 2.5 1.9 3.1 1 1 75 1 . . . . . 3.1 2.3 3.9 1 1 76 1 . . . . . 3.0 2.2 3.8 1 1 77 1 . . . . . 2.5 1.9 3.1 1 1 78 1 . . . . . 2.3 1.8 2.9 1 1 79 1 . . . . . 3.2 2.4 4.0 1 1 80 1 . . . . . 2.5 1.9 3.1 1 1 81 1 . . . . . 2.3 1.8 2.9 1 1 82 1 . . . . . 2.8 2.1 3.5 1 1 83 1 . . . . . 2.4 1.8 3.0 1 1 84 1 . . . . . 3.0 2.2 3.8 1 1 85 1 . . . . . 3.4 2.5 4.3 1 1 86 1 . . . . . 2.7 2.0 3.4 1 1 87 1 . . . . . 2.4 1.8 3.0 1 1 88 1 . . . . . 2.8 2.1 3.5 1 1 89 1 . . . . . 3.2 2.4 4.0 1 1 90 1 . . . . . 2.9 2.2 3.6 1 1 91 1 . . . . . 2.8 2.1 3.5 1 1 92 1 . . . . . 3.1 2.3 3.9 1 1 93 1 . . . . . 2.4 1.8 3.0 1 1 94 1 . . . . . 2.2 1.8 2.8 1 1 95 1 . . . . . 3.4 2.5 4.3 1 1 96 1 . . . . . 3.1 2.3 3.9 1 1 97 1 . . . . . 3.1 2.3 3.9 1 1 98 1 . . . . . 2.8 2.1 3.5 1 1 99 1 . . . . . 2.3 1.8 2.9 1 1 100 1 . . . . . 2.5 1.9 3.1 1 1 101 1 . . . . . 2.7 2.0 3.4 1 1 102 1 . . . . . 2.3 1.8 2.9 1 1 103 1 . . . . . 2.2 1.8 2.8 1 1 104 1 . . . . . 2.7 2.0 3.4 1 1 105 1 . . . . . 3.1 2.3 3.9 1 1 106 1 . . . . . 2.2 1.8 2.8 1 1 107 1 . . . . . 2.3 1.8 2.9 1 1 108 1 . . . . . 3.5 2.6 4.4 1 1 109 1 . . . . . 2.8 2.1 3.5 1 1 110 1 . . . . . 3.2 2.4 4.0 1 1 111 1 . . . . . 2.8 2.1 3.5 1 1 112 1 . . . . . 2.7 2.0 3.4 1 1 113 1 . . . . . 3.0 2.2 3.8 1 1 114 1 . . . . . 3.1 2.3 3.9 1 1 115 1 . . . . . 3.1 2.3 3.9 1 1 116 1 . . . . . 2.5 1.9 3.1 1 1 117 1 . . . . . 2.7 2.0 3.4 1 1 118 1 . . . . . 2.7 2.0 3.4 1 1 119 1 . . . . . 2.7 2.0 3.4 1 1 120 1 . . . . . 2.3 1.8 2.9 1 1 121 1 . . . . . 3.8 2.8 4.8 1 1 122 1 . . . . . 2.2 1.8 2.8 1 1 123 1 . . . . . 2.7 2.0 3.4 1 1 124 1 . . . . . 3.7 2.8 4.6 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 8 PHE C 1 1 9 GLY N 1 1 9 GLY CA 1 1 9 GLY C -89.99999 -30.0 . 7 . C . 8 . N . 8 . CA . 8 . C 1 1 2 . 1 1 9 GLY C 1 1 10 HIS N 1 1 10 HIS CA 1 1 10 HIS C -89.99999 -30.0 . 8 . C . 9 . N . 9 . CA . 9 . C 1 1 3 . 1 1 10 HIS C 1 1 11 ILE N 1 1 11 ILE CA 1 1 11 ILE C -89.99999 -30.0 . 9 . C . 10 . N . 10 . CA . 10 . C 1 1 4 . 1 1 13 VAL C 1 1 14 LYS N 1 1 14 LYS CA 1 1 14 LYS C -89.99999 -30.0 . 12 . C . 13 . N . 13 . CA . 13 . C 1 1 5 . 1 1 14 LYS C 1 1 15 VAL N 1 1 15 VAL CA 1 1 15 VAL C -89.99999 -30.0 . 13 . C . 14 . N . 14 . CA . 14 . C 1 1 6 . 1 1 15 VAL C 1 1 16 PHE N 1 1 16 PHE CA 1 1 16 PHE C -89.99999 -30.0 . 14 . C . 15 . N . 15 . CA . 15 . C 1 1 7 . 1 1 17 ASN C 1 1 18 HIS N 1 1 18 HIS CA 1 1 18 HIS C -89.99999 -30.0 . 16 . C . 17 . N . 17 . CA . 17 . C 1 1 8 . 1 1 18 HIS C 1 1 19 GLY N 1 1 19 GLY CA 1 1 19 GLY C -89.99999 -30.0 . 17 . C . 18 . N . 18 . CA . 18 . C 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 ACE C C -10.604 2.752 1.885 1.00 . A A . 1 ACE C 1 1 1 2 1 1 1 ACE CH3 C -10.100 4.140 2.111 1.00 . A A . 1 ACE CH3 1 1 1 3 1 1 1 ACE H1 H -10.839 4.882 1.737 1.00 . A A . 1 ACE H1 1 1 1 4 1 1 1 ACE H2 H -9.930 4.325 3.193 1.00 . A A . 1 ACE H2 1 1 1 5 1 1 1 ACE H3 H -9.141 4.292 1.568 1.00 . A A . 1 ACE H3 1 1 1 6 1 1 1 ACE O O -11.164 2.452 0.832 1.00 . A A . 1 ACE O 1 1 1 7 1 1 2 PHE C C -12.246 0.394 3.255 1.00 . A A . 2 PHE C 1 1 1 8 1 1 2 PHE CA C -10.807 0.483 2.817 1.00 . A A . 2 PHE CA 1 1 1 9 1 1 2 PHE CB C -9.904 -0.437 3.691 1.00 . A A . 2 PHE CB 1 1 1 10 1 1 2 PHE CD1 C -10.957 -2.548 2.605 1.00 . A A . 2 PHE CD1 1 1 1 11 1 1 2 PHE CD2 C -9.495 -2.760 4.519 1.00 . A A . 2 PHE CD2 1 1 1 12 1 1 2 PHE CE1 C -11.109 -3.939 2.567 1.00 . A A . 2 PHE CE1 1 1 1 13 1 1 2 PHE CE2 C -9.645 -4.152 4.484 1.00 . A A . 2 PHE CE2 1 1 1 14 1 1 2 PHE CG C -10.147 -1.934 3.586 1.00 . A A . 2 PHE CG 1 1 1 15 1 1 2 PHE CZ C -10.453 -4.741 3.507 1.00 . A A . 2 PHE CZ 1 1 1 16 1 1 2 PHE H H -9.959 2.136 3.739 1.00 . A A . 2 PHE H 1 1 1 17 1 1 2 PHE HA H -10.728 0.165 1.788 1.00 . A A . 2 PHE HA 1 1 1 18 1 1 2 PHE HB2 H -8.848 -0.270 3.387 1.00 . A A . 2 PHE HB2 1 1 1 19 1 1 2 PHE HB3 H -10.000 -0.147 4.760 1.00 . A A . 2 PHE HB3 1 1 1 20 1 1 2 PHE HD1 H -11.466 -1.968 1.854 1.00 . A A . 2 PHE HD1 1 1 1 21 1 1 2 PHE HD2 H -8.864 -2.315 5.275 1.00 . A A . 2 PHE HD2 1 1 1 22 1 1 2 PHE HE1 H -11.728 -4.394 1.810 1.00 . A A . 2 PHE HE1 1 1 1 23 1 1 2 PHE HE2 H -9.135 -4.769 5.209 1.00 . A A . 2 PHE HE2 1 1 1 24 1 1 2 PHE HZ H -10.569 -5.815 3.477 1.00 . A A . 2 PHE HZ 1 1 1 25 1 1 2 PHE N N -10.408 1.865 2.890 1.00 . A A . 2 PHE N 1 1 1 26 1 1 2 PHE O O -12.556 0.467 4.444 1.00 . A A . 2 PHE O 1 1 1 27 1 1 3 GLU C C -14.953 -0.853 1.317 1.00 . A A . 3 GLU C 1 1 1 28 1 1 3 GLU CA C -14.540 -0.033 2.502 1.00 . A A . 3 GLU CA 1 1 1 29 1 1 3 GLU CB C -15.398 1.250 2.617 1.00 . A A . 3 GLU CB 1 1 1 30 1 1 3 GLU CD C -17.620 2.302 3.115 1.00 . A A . 3 GLU CD 1 1 1 31 1 1 3 GLU CG C -16.874 0.978 2.962 1.00 . A A . 3 GLU CG 1 1 1 32 1 1 3 GLU H H -12.869 0.211 1.309 1.00 . A A . 3 GLU H 1 1 1 33 1 1 3 GLU HA H -14.644 -0.635 3.396 1.00 . A A . 3 GLU HA 1 1 1 34 1 1 3 GLU HB2 H -14.962 1.875 3.430 1.00 . A A . 3 GLU HB2 1 1 1 35 1 1 3 GLU HB3 H -15.326 1.837 1.676 1.00 . A A . 3 GLU HB3 1 1 1 36 1 1 3 GLU HG2 H -17.355 0.381 2.160 1.00 . A A . 3 GLU HG2 1 1 1 37 1 1 3 GLU HG3 H -16.930 0.403 3.911 1.00 . A A . 3 GLU HG3 1 1 1 38 1 1 3 GLU N N -13.149 0.226 2.266 1.00 . A A . 3 GLU N 1 1 1 39 1 1 3 GLU O O -15.413 -0.310 0.313 1.00 . A A . 3 GLU O 1 1 1 40 1 1 3 GLU OE1 O -17.710 3.052 2.106 1.00 . A A . 3 GLU OE1 1 1 1 41 1 1 3 GLU OE2 O -18.112 2.581 4.241 1.00 . A A . 3 GLU OE2 1 1 1 42 1 1 4 ASP C C -13.792 -3.375 -0.429 1.00 . A A . 4 ASP C 1 1 1 43 1 1 4 ASP CA C -14.997 -3.230 0.453 1.00 . A A . 4 ASP CA 1 1 1 44 1 1 4 ASP CB C -16.317 -3.086 -0.366 1.00 . A A . 4 ASP CB 1 1 1 45 1 1 4 ASP CG C -16.648 -4.367 -1.139 1.00 . A A . 4 ASP CG 1 1 1 46 1 1 4 ASP H H -14.298 -2.521 2.262 1.00 . A A . 4 ASP H 1 1 1 47 1 1 4 ASP HA H -15.063 -4.137 1.021 1.00 . A A . 4 ASP HA 1 1 1 48 1 1 4 ASP HB2 H -17.153 -2.877 0.335 1.00 . A A . 4 ASP HB2 1 1 1 49 1 1 4 ASP HB3 H -16.242 -2.236 -1.075 1.00 . A A . 4 ASP HB3 1 1 1 50 1 1 4 ASP N N -14.734 -2.190 1.432 1.00 . A A . 4 ASP N 1 1 1 51 1 1 4 ASP O O -13.182 -4.438 -0.521 1.00 . A A . 4 ASP O 1 1 1 52 1 1 4 ASP OD1 O -16.862 -5.418 -0.477 1.00 . A A . 4 ASP OD1 1 1 1 53 1 1 4 ASP OD2 O -16.691 -4.307 -2.396 1.00 . A A . 4 ASP OD2 1 1 1 54 1 1 5 LEU C C -11.211 -1.556 -1.109 1.00 . A A . 5 LEU C 1 1 1 55 1 1 5 LEU CA C -12.315 -2.118 -1.972 1.00 . A A . 5 LEU CA 1 1 1 56 1 1 5 LEU CB C -12.640 -1.128 -3.126 1.00 . A A . 5 LEU CB 1 1 1 57 1 1 5 LEU CD1 C -10.315 -0.435 -4.076 1.00 . A A . 5 LEU CD1 1 1 1 58 1 1 5 LEU CD2 C -11.531 -2.451 -5.054 1.00 . A A . 5 LEU CD2 1 1 1 59 1 1 5 LEU CG C -11.683 -1.087 -4.352 1.00 . A A . 5 LEU CG 1 1 1 60 1 1 5 LEU H H -13.975 -1.446 -0.878 1.00 . A A . 5 LEU H 1 1 1 61 1 1 5 LEU HA H -12.079 -3.091 -2.372 1.00 . A A . 5 LEU HA 1 1 1 62 1 1 5 LEU HB2 H -13.642 -1.419 -3.520 1.00 . A A . 5 LEU HB2 1 1 1 63 1 1 5 LEU HB3 H -12.736 -0.098 -2.717 1.00 . A A . 5 LEU HB3 1 1 1 64 1 1 5 LEU HD11 H -10.448 0.540 -3.561 1.00 . A A . 5 LEU HD11 1 1 1 65 1 1 5 LEU HD12 H -9.777 -0.258 -5.031 1.00 . A A . 5 LEU HD12 1 1 1 66 1 1 5 LEU HD13 H -9.684 -1.092 -3.443 1.00 . A A . 5 LEU HD13 1 1 1 67 1 1 5 LEU HD21 H -12.530 -2.882 -5.279 1.00 . A A . 5 LEU HD21 1 1 1 68 1 1 5 LEU HD22 H -10.967 -3.164 -4.419 1.00 . A A . 5 LEU HD22 1 1 1 69 1 1 5 LEU HD23 H -10.978 -2.327 -6.009 1.00 . A A . 5 LEU HD23 1 1 1 70 1 1 5 LEU HG H -12.189 -0.416 -5.090 1.00 . A A . 5 LEU HG 1 1 1 71 1 1 5 LEU N N -13.436 -2.257 -1.080 1.00 . A A . 5 LEU N 1 1 1 72 1 1 5 LEU O O -11.435 -0.489 -0.539 1.00 . A A . 5 LEU O 1 1 1 73 1 1 6 PRO C C -8.223 -0.567 -0.927 1.00 . A A . 6 PRO C 1 1 1 74 1 1 6 PRO CA C -8.956 -1.634 -0.149 1.00 . A A . 6 PRO CA 1 1 1 75 1 1 6 PRO CB C -8.060 -2.850 0.140 1.00 . A A . 6 PRO CB 1 1 1 76 1 1 6 PRO CD C -9.766 -3.545 -1.391 1.00 . A A . 6 PRO CD 1 1 1 77 1 1 6 PRO CG C -8.300 -3.799 -1.038 1.00 . A A . 6 PRO CG 1 1 1 78 1 1 6 PRO HA H -9.322 -1.197 0.767 1.00 . A A . 6 PRO HA 1 1 1 79 1 1 6 PRO HB2 H -6.992 -2.598 0.277 1.00 . A A . 6 PRO HB2 1 1 1 80 1 1 6 PRO HB3 H -8.427 -3.345 1.068 1.00 . A A . 6 PRO HB3 1 1 1 81 1 1 6 PRO HD2 H -9.932 -3.640 -2.484 1.00 . A A . 6 PRO HD2 1 1 1 82 1 1 6 PRO HD3 H -10.426 -4.246 -0.835 1.00 . A A . 6 PRO HD3 1 1 1 83 1 1 6 PRO HG2 H -7.656 -3.500 -1.894 1.00 . A A . 6 PRO HG2 1 1 1 84 1 1 6 PRO HG3 H -8.102 -4.857 -0.777 1.00 . A A . 6 PRO HG3 1 1 1 85 1 1 6 PRO N N -10.047 -2.182 -0.937 1.00 . A A . 6 PRO N 1 1 1 86 1 1 6 PRO O O -7.192 -0.860 -1.528 1.00 . A A . 6 PRO O 1 1 1 87 1 1 7 ASN C C -7.019 2.351 -0.645 1.00 . A A . 7 ASN C 1 1 1 88 1 1 7 ASN CA C -8.104 1.821 -1.546 1.00 . A A . 7 ASN CA 1 1 1 89 1 1 7 ASN CB C -9.126 2.943 -1.871 1.00 . A A . 7 ASN CB 1 1 1 90 1 1 7 ASN CG C -8.530 3.976 -2.839 1.00 . A A . 7 ASN CG 1 1 1 91 1 1 7 ASN H H -9.594 0.884 -0.443 1.00 . A A . 7 ASN H 1 1 1 92 1 1 7 ASN HA H -7.644 1.466 -2.451 1.00 . A A . 7 ASN HA 1 1 1 93 1 1 7 ASN HB2 H -10.008 2.484 -2.370 1.00 . A A . 7 ASN HB2 1 1 1 94 1 1 7 ASN HB3 H -9.479 3.429 -0.939 1.00 . A A . 7 ASN HB3 1 1 1 95 1 1 7 ASN HD21 H -8.659 5.459 -1.418 1.00 . A A . 7 ASN HD21 1 1 1 96 1 1 7 ASN HD22 H -7.997 5.961 -2.938 1.00 . A A . 7 ASN HD22 1 1 1 97 1 1 7 ASN N N -8.731 0.689 -0.905 1.00 . A A . 7 ASN N 1 1 1 98 1 1 7 ASN ND2 N -8.382 5.247 -2.355 1.00 . A A . 7 ASN ND2 1 1 1 99 1 1 7 ASN O O -6.056 2.961 -1.105 1.00 . A A . 7 ASN O 1 1 1 100 1 1 7 ASN OD1 O -8.205 3.644 -3.986 1.00 . A A . 7 ASN OD1 1 1 1 101 1 1 8 PHE C C -5.037 1.378 1.562 1.00 . A A . 8 PHE C 1 1 1 102 1 1 8 PHE CA C -6.159 2.383 1.674 1.00 . A A . 8 PHE CA 1 1 1 103 1 1 8 PHE CB C -6.744 2.356 3.114 1.00 . A A . 8 PHE CB 1 1 1 104 1 1 8 PHE CD1 C -5.326 4.189 4.134 1.00 . A A . 8 PHE CD1 1 1 1 105 1 1 8 PHE CD2 C -5.140 1.946 5.033 1.00 . A A . 8 PHE CD2 1 1 1 106 1 1 8 PHE CE1 C -4.339 4.629 5.024 1.00 . A A . 8 PHE CE1 1 1 1 107 1 1 8 PHE CE2 C -4.152 2.385 5.924 1.00 . A A . 8 PHE CE2 1 1 1 108 1 1 8 PHE CG C -5.734 2.843 4.127 1.00 . A A . 8 PHE CG 1 1 1 109 1 1 8 PHE CZ C -3.752 3.726 5.919 1.00 . A A . 8 PHE CZ 1 1 1 110 1 1 8 PHE H H -7.950 1.569 0.978 1.00 . A A . 8 PHE H 1 1 1 111 1 1 8 PHE HA H -5.769 3.368 1.458 1.00 . A A . 8 PHE HA 1 1 1 112 1 1 8 PHE HB2 H -7.620 3.035 3.169 1.00 . A A . 8 PHE HB2 1 1 1 113 1 1 8 PHE HB3 H -7.077 1.332 3.384 1.00 . A A . 8 PHE HB3 1 1 1 114 1 1 8 PHE HD1 H -5.764 4.887 3.436 1.00 . A A . 8 PHE HD1 1 1 1 115 1 1 8 PHE HD2 H -5.430 0.906 5.029 1.00 . A A . 8 PHE HD2 1 1 1 116 1 1 8 PHE HE1 H -4.027 5.662 5.016 1.00 . A A . 8 PHE HE1 1 1 1 117 1 1 8 PHE HE2 H -3.695 1.687 6.610 1.00 . A A . 8 PHE HE2 1 1 1 118 1 1 8 PHE HZ H -2.986 4.064 6.602 1.00 . A A . 8 PHE HZ 1 1 1 119 1 1 8 PHE N N -7.150 2.075 0.672 1.00 . A A . 8 PHE N 1 1 1 120 1 1 8 PHE O O -3.881 1.718 1.788 1.00 . A A . 8 PHE O 1 1 1 121 1 1 9 GLY C C -3.568 -0.734 -0.240 1.00 . A A . 9 GLY C 1 1 1 122 1 1 9 GLY CA C -4.387 -0.936 1.004 1.00 . A A . 9 GLY CA 1 1 1 123 1 1 9 GLY H H -6.304 -0.137 0.986 1.00 . A A . 9 GLY H 1 1 1 124 1 1 9 GLY HA2 H -3.726 -0.934 1.860 1.00 . A A . 9 GLY HA2 1 1 1 125 1 1 9 GLY HA3 H -4.941 -1.856 0.897 1.00 . A A . 9 GLY HA3 1 1 1 126 1 1 9 GLY N N -5.360 0.118 1.179 1.00 . A A . 9 GLY N 1 1 1 127 1 1 9 GLY O O -2.444 -1.223 -0.326 1.00 . A A . 9 GLY O 1 1 1 128 1 1 10 HIS C C -2.559 1.573 -2.218 1.00 . A A . 10 HIS C 1 1 1 129 1 1 10 HIS CA C -3.453 0.383 -2.457 1.00 . A A . 10 HIS CA 1 1 1 130 1 1 10 HIS CB C -4.456 0.765 -3.569 1.00 . A A . 10 HIS CB 1 1 1 131 1 1 10 HIS CD2 C -5.260 -1.706 -3.775 1.00 . A A . 10 HIS CD2 1 1 1 132 1 1 10 HIS CE1 C -7.086 -1.412 -4.851 1.00 . A A . 10 HIS CE1 1 1 1 133 1 1 10 HIS CG C -5.376 -0.361 -3.959 1.00 . A A . 10 HIS CG 1 1 1 134 1 1 10 HIS H H -5.041 0.383 -1.128 1.00 . A A . 10 HIS H 1 1 1 135 1 1 10 HIS HA H -2.840 -0.446 -2.789 1.00 . A A . 10 HIS HA 1 1 1 136 1 1 10 HIS HB2 H -5.080 1.618 -3.222 1.00 . A A . 10 HIS HB2 1 1 1 137 1 1 10 HIS HB3 H -3.909 1.084 -4.482 1.00 . A A . 10 HIS HB3 1 1 1 138 1 1 10 HIS HD1 H -6.927 0.698 -4.957 1.00 . A A . 10 HIS HD1 1 1 1 139 1 1 10 HIS HD2 H -4.481 -2.275 -3.285 1.00 . A A . 10 HIS HD2 1 1 1 140 1 1 10 HIS HE1 H -8.026 -1.570 -5.376 1.00 . A A . 10 HIS HE1 1 1 1 141 1 1 10 HIS N N -4.119 0.015 -1.228 1.00 . A A . 10 HIS N 1 1 1 142 1 1 10 HIS ND1 N -6.551 -0.180 -4.657 1.00 . A A . 10 HIS ND1 1 1 1 143 1 1 10 HIS NE2 N -6.339 -2.368 -4.335 1.00 . A A . 10 HIS NE2 1 1 1 144 1 1 10 HIS O O -1.598 1.782 -2.955 1.00 . A A . 10 HIS O 1 1 1 145 1 1 11 ILE C C -0.851 3.109 -0.039 1.00 . A A . 11 ILE C 1 1 1 146 1 1 11 ILE CA C -2.100 3.540 -0.774 1.00 . A A . 11 ILE CA 1 1 1 147 1 1 11 ILE CB C -2.971 4.542 0.003 1.00 . A A . 11 ILE CB 1 1 1 148 1 1 11 ILE CD1 C -3.962 5.653 -2.118 1.00 . A A . 11 ILE CD1 1 1 1 149 1 1 11 ILE CG1 C -3.170 5.841 -0.819 1.00 . A A . 11 ILE CG1 1 1 1 150 1 1 11 ILE CG2 C -2.464 4.858 1.432 1.00 . A A . 11 ILE CG2 1 1 1 151 1 1 11 ILE H H -3.641 2.170 -0.582 1.00 . A A . 11 ILE H 1 1 1 152 1 1 11 ILE HA H -1.767 4.020 -1.683 1.00 . A A . 11 ILE HA 1 1 1 153 1 1 11 ILE HB H -3.980 4.085 0.129 1.00 . A A . 11 ILE HB 1 1 1 154 1 1 11 ILE HD11 H -4.093 6.630 -2.629 1.00 . A A . 11 ILE HD11 1 1 1 155 1 1 11 ILE HD12 H -4.969 5.236 -1.899 1.00 . A A . 11 ILE HD12 1 1 1 156 1 1 11 ILE HD13 H -3.438 4.965 -2.813 1.00 . A A . 11 ILE HD13 1 1 1 157 1 1 11 ILE HG12 H -3.718 6.572 -0.184 1.00 . A A . 11 ILE HG12 1 1 1 158 1 1 11 ILE HG13 H -2.174 6.276 -1.052 1.00 . A A . 11 ILE HG13 1 1 1 159 1 1 11 ILE HG21 H -3.175 5.544 1.937 1.00 . A A . 11 ILE HG21 1 1 1 160 1 1 11 ILE HG22 H -1.471 5.354 1.399 1.00 . A A . 11 ILE HG22 1 1 1 161 1 1 11 ILE HG23 H -2.391 3.934 2.043 1.00 . A A . 11 ILE HG23 1 1 1 162 1 1 11 ILE N N -2.856 2.370 -1.164 1.00 . A A . 11 ILE N 1 1 1 163 1 1 11 ILE O O 0.166 3.799 -0.092 1.00 . A A . 11 ILE O 1 1 1 164 1 1 12 GLN C C 1.234 0.736 0.473 1.00 . A A . 12 GLN C 1 1 1 165 1 1 12 GLN CA C 0.220 1.386 1.378 1.00 . A A . 12 GLN CA 1 1 1 166 1 1 12 GLN CB C -0.217 0.340 2.431 1.00 . A A . 12 GLN CB 1 1 1 167 1 1 12 GLN CD C -0.236 2.001 4.351 1.00 . A A . 12 GLN CD 1 1 1 168 1 1 12 GLN CG C -1.035 0.926 3.599 1.00 . A A . 12 GLN CG 1 1 1 169 1 1 12 GLN H H -1.724 1.378 0.651 1.00 . A A . 12 GLN H 1 1 1 170 1 1 12 GLN HA H 0.716 2.203 1.881 1.00 . A A . 12 GLN HA 1 1 1 171 1 1 12 GLN HB2 H -0.828 -0.442 1.928 1.00 . A A . 12 GLN HB2 1 1 1 172 1 1 12 GLN HB3 H 0.678 -0.162 2.864 1.00 . A A . 12 GLN HB3 1 1 1 173 1 1 12 GLN HE21 H 1.150 0.610 4.967 1.00 . A A . 12 GLN HE21 1 1 1 174 1 1 12 GLN HE22 H 1.450 2.229 5.506 1.00 . A A . 12 GLN HE22 1 1 1 175 1 1 12 GLN HG2 H -1.967 1.387 3.217 1.00 . A A . 12 GLN HG2 1 1 1 176 1 1 12 GLN HG3 H -1.314 0.115 4.305 1.00 . A A . 12 GLN HG3 1 1 1 177 1 1 12 GLN N N -0.893 1.930 0.634 1.00 . A A . 12 GLN N 1 1 1 178 1 1 12 GLN NE2 N 0.888 1.575 5.002 1.00 . A A . 12 GLN NE2 1 1 1 179 1 1 12 GLN O O 2.331 0.416 0.922 1.00 . A A . 12 GLN O 1 1 1 180 1 1 12 GLN OE1 O -0.615 3.178 4.348 1.00 . A A . 12 GLN OE1 1 1 1 181 1 1 13 VAL C C 2.887 1.056 -2.139 1.00 . A A . 13 VAL C 1 1 1 182 1 1 13 VAL CA C 1.825 0.030 -1.831 1.00 . A A . 13 VAL CA 1 1 1 183 1 1 13 VAL CB C 1.106 -0.401 -3.108 1.00 . A A . 13 VAL CB 1 1 1 184 1 1 13 VAL CG1 C 2.094 -0.959 -4.157 1.00 . A A . 13 VAL CG1 1 1 1 185 1 1 13 VAL CG2 C 0.056 -1.468 -2.736 1.00 . A A . 13 VAL CG2 1 1 1 186 1 1 13 VAL H H 0.016 0.818 -1.177 1.00 . A A . 13 VAL H 1 1 1 187 1 1 13 VAL HA H 2.316 -0.820 -1.397 1.00 . A A . 13 VAL HA 1 1 1 188 1 1 13 VAL HB H 0.569 0.467 -3.551 1.00 . A A . 13 VAL HB 1 1 1 189 1 1 13 VAL HG11 H 1.533 -1.364 -5.026 1.00 . A A . 13 VAL HG11 1 1 1 190 1 1 13 VAL HG12 H 2.702 -1.777 -3.717 1.00 . A A . 13 VAL HG12 1 1 1 191 1 1 13 VAL HG13 H 2.773 -0.166 -4.531 1.00 . A A . 13 VAL HG13 1 1 1 192 1 1 13 VAL HG21 H -0.453 -1.837 -3.651 1.00 . A A . 13 VAL HG21 1 1 1 193 1 1 13 VAL HG22 H -0.714 -1.045 -2.063 1.00 . A A . 13 VAL HG22 1 1 1 194 1 1 13 VAL HG23 H 0.541 -2.329 -2.229 1.00 . A A . 13 VAL HG23 1 1 1 195 1 1 13 VAL N N 0.915 0.560 -0.834 1.00 . A A . 13 VAL N 1 1 1 196 1 1 13 VAL O O 4.036 0.719 -2.418 1.00 . A A . 13 VAL O 1 1 1 197 1 1 14 LYS C C 4.305 3.685 -1.123 1.00 . A A . 14 LYS C 1 1 1 198 1 1 14 LYS CA C 3.367 3.485 -2.290 1.00 . A A . 14 LYS CA 1 1 1 199 1 1 14 LYS CB C 2.591 4.815 -2.493 1.00 . A A . 14 LYS CB 1 1 1 200 1 1 14 LYS CD C 0.570 4.065 -3.964 1.00 . A A . 14 LYS CD 1 1 1 201 1 1 14 LYS CE C -0.325 4.414 -5.162 1.00 . A A . 14 LYS CE 1 1 1 202 1 1 14 LYS CG C 1.819 4.953 -3.823 1.00 . A A . 14 LYS CG 1 1 1 203 1 1 14 LYS H H 1.589 2.540 -1.721 1.00 . A A . 14 LYS H 1 1 1 204 1 1 14 LYS HA H 3.958 3.280 -3.172 1.00 . A A . 14 LYS HA 1 1 1 205 1 1 14 LYS HB2 H 1.889 4.971 -1.647 1.00 . A A . 14 LYS HB2 1 1 1 206 1 1 14 LYS HB3 H 3.321 5.657 -2.481 1.00 . A A . 14 LYS HB3 1 1 1 207 1 1 14 LYS HD2 H 0.894 3.007 -4.081 1.00 . A A . 14 LYS HD2 1 1 1 208 1 1 14 LYS HD3 H -0.032 4.138 -3.033 1.00 . A A . 14 LYS HD3 1 1 1 209 1 1 14 LYS HE2 H 0.266 4.428 -6.102 1.00 . A A . 14 LYS HE2 1 1 1 210 1 1 14 LYS HE3 H -1.144 3.670 -5.254 1.00 . A A . 14 LYS HE3 1 1 1 211 1 1 14 LYS HG2 H 1.494 6.015 -3.893 1.00 . A A . 14 LYS HG2 1 1 1 212 1 1 14 LYS HG3 H 2.509 4.755 -4.671 1.00 . A A . 14 LYS HG3 1 1 1 213 1 1 14 LYS HZ1 H -1.552 5.951 -5.823 1.00 . A A . 14 LYS HZ1 1 1 1 214 1 1 14 LYS HZ2 H -0.213 6.471 -4.915 1.00 . A A . 14 LYS HZ2 1 1 1 215 1 1 14 LYS HZ3 H -1.538 5.748 -4.137 1.00 . A A . 14 LYS HZ3 1 1 1 216 1 1 14 LYS N N 2.514 2.346 -2.033 1.00 . A A . 14 LYS N 1 1 1 217 1 1 14 LYS NZ N -0.954 5.746 -4.997 1.00 . A A . 14 LYS NZ 1 1 1 218 1 1 14 LYS O O 5.401 4.213 -1.294 1.00 . A A . 14 LYS O 1 1 1 219 1 1 15 VAL C C 5.728 2.262 1.294 1.00 . A A . 15 VAL C 1 1 1 220 1 1 15 VAL CA C 4.658 3.331 1.314 1.00 . A A . 15 VAL CA 1 1 1 221 1 1 15 VAL CB C 3.776 3.179 2.553 1.00 . A A . 15 VAL CB 1 1 1 222 1 1 15 VAL CG1 C 4.606 3.283 3.852 1.00 . A A . 15 VAL CG1 1 1 1 223 1 1 15 VAL CG2 C 2.686 4.272 2.518 1.00 . A A . 15 VAL CG2 1 1 1 224 1 1 15 VAL H H 2.992 2.819 0.192 1.00 . A A . 15 VAL H 1 1 1 225 1 1 15 VAL HA H 5.138 4.298 1.340 1.00 . A A . 15 VAL HA 1 1 1 226 1 1 15 VAL HB H 3.271 2.188 2.540 1.00 . A A . 15 VAL HB 1 1 1 227 1 1 15 VAL HG11 H 5.182 4.232 3.866 1.00 . A A . 15 VAL HG11 1 1 1 228 1 1 15 VAL HG12 H 5.310 2.431 3.948 1.00 . A A . 15 VAL HG12 1 1 1 229 1 1 15 VAL HG13 H 3.930 3.267 4.732 1.00 . A A . 15 VAL HG13 1 1 1 230 1 1 15 VAL HG21 H 3.151 5.280 2.488 1.00 . A A . 15 VAL HG21 1 1 1 231 1 1 15 VAL HG22 H 2.052 4.203 3.429 1.00 . A A . 15 VAL HG22 1 1 1 232 1 1 15 VAL HG23 H 2.027 4.157 1.635 1.00 . A A . 15 VAL HG23 1 1 1 233 1 1 15 VAL N N 3.888 3.245 0.091 1.00 . A A . 15 VAL N 1 1 1 234 1 1 15 VAL O O 6.831 2.475 1.796 1.00 . A A . 15 VAL O 1 1 1 235 1 1 16 PHE C C 7.429 0.288 -0.445 1.00 . A A . 16 PHE C 1 1 1 236 1 1 16 PHE CA C 6.357 -0.019 0.568 1.00 . A A . 16 PHE CA 1 1 1 237 1 1 16 PHE CB C 5.680 -1.347 0.128 1.00 . A A . 16 PHE CB 1 1 1 238 1 1 16 PHE CD1 C 4.574 -1.562 2.441 1.00 . A A . 16 PHE CD1 1 1 1 239 1 1 16 PHE CD2 C 3.492 -2.520 0.499 1.00 . A A . 16 PHE CD2 1 1 1 240 1 1 16 PHE CE1 C 3.507 -1.991 3.243 1.00 . A A . 16 PHE CE1 1 1 1 241 1 1 16 PHE CE2 C 2.427 -2.949 1.298 1.00 . A A . 16 PHE CE2 1 1 1 242 1 1 16 PHE CG C 4.571 -1.804 1.051 1.00 . A A . 16 PHE CG 1 1 1 243 1 1 16 PHE CZ C 2.433 -2.680 2.671 1.00 . A A . 16 PHE CZ 1 1 1 244 1 1 16 PHE H H 4.539 0.941 0.260 1.00 . A A . 16 PHE H 1 1 1 245 1 1 16 PHE HA H 6.836 -0.154 1.529 1.00 . A A . 16 PHE HA 1 1 1 246 1 1 16 PHE HB2 H 5.247 -1.222 -0.889 1.00 . A A . 16 PHE HB2 1 1 1 247 1 1 16 PHE HB3 H 6.432 -2.166 0.096 1.00 . A A . 16 PHE HB3 1 1 1 248 1 1 16 PHE HD1 H 5.391 -1.039 2.912 1.00 . A A . 16 PHE HD1 1 1 1 249 1 1 16 PHE HD2 H 3.476 -2.728 -0.562 1.00 . A A . 16 PHE HD2 1 1 1 250 1 1 16 PHE HE1 H 3.516 -1.789 4.304 1.00 . A A . 16 PHE HE1 1 1 1 251 1 1 16 PHE HE2 H 1.600 -3.484 0.854 1.00 . A A . 16 PHE HE2 1 1 1 252 1 1 16 PHE HZ H 1.610 -3.008 3.289 1.00 . A A . 16 PHE HZ 1 1 1 253 1 1 16 PHE N N 5.434 1.092 0.674 1.00 . A A . 16 PHE N 1 1 1 254 1 1 16 PHE O O 8.576 -0.120 -0.274 1.00 . A A . 16 PHE O 1 1 1 255 1 1 17 ASN C C 8.876 2.542 -2.119 1.00 . A A . 17 ASN C 1 1 1 256 1 1 17 ASN CA C 7.973 1.429 -2.582 1.00 . A A . 17 ASN CA 1 1 1 257 1 1 17 ASN CB C 7.221 1.946 -3.836 1.00 . A A . 17 ASN CB 1 1 1 258 1 1 17 ASN CG C 6.400 0.821 -4.486 1.00 . A A . 17 ASN CG 1 1 1 259 1 1 17 ASN H H 6.135 1.358 -1.622 1.00 . A A . 17 ASN H 1 1 1 260 1 1 17 ASN HA H 8.591 0.578 -2.841 1.00 . A A . 17 ASN HA 1 1 1 261 1 1 17 ASN HB2 H 6.546 2.781 -3.548 1.00 . A A . 17 ASN HB2 1 1 1 262 1 1 17 ASN HB3 H 7.948 2.319 -4.590 1.00 . A A . 17 ASN HB3 1 1 1 263 1 1 17 ASN HD21 H 5.256 2.210 -5.487 1.00 . A A . 17 ASN HD21 1 1 1 264 1 1 17 ASN HD22 H 4.831 0.557 -5.792 1.00 . A A . 17 ASN HD22 1 1 1 265 1 1 17 ASN N N 7.074 1.038 -1.517 1.00 . A A . 17 ASN N 1 1 1 266 1 1 17 ASN ND2 N 5.406 1.235 -5.332 1.00 . A A . 17 ASN ND2 1 1 1 267 1 1 17 ASN O O 9.999 2.676 -2.604 1.00 . A A . 17 ASN O 1 1 1 268 1 1 17 ASN OD1 O 6.638 -0.370 -4.258 1.00 . A A . 17 ASN OD1 1 1 1 269 1 1 18 HIS C C 10.223 3.903 0.337 1.00 . A A . 18 HIS C 1 1 1 270 1 1 18 HIS CA C 9.151 4.447 -0.566 1.00 . A A . 18 HIS CA 1 1 1 271 1 1 18 HIS CB C 8.268 5.417 0.254 1.00 . A A . 18 HIS CB 1 1 1 272 1 1 18 HIS CD2 C 9.674 6.723 1.995 1.00 . A A . 18 HIS CD2 1 1 1 273 1 1 18 HIS CE1 C 10.139 8.487 0.881 1.00 . A A . 18 HIS CE1 1 1 1 274 1 1 18 HIS CG C 9.041 6.589 0.798 1.00 . A A . 18 HIS CG 1 1 1 275 1 1 18 HIS H H 7.488 3.229 -0.770 1.00 . A A . 18 HIS H 1 1 1 276 1 1 18 HIS HA H 9.620 4.999 -1.366 1.00 . A A . 18 HIS HA 1 1 1 277 1 1 18 HIS HB2 H 7.450 5.801 -0.394 1.00 . A A . 18 HIS HB2 1 1 1 278 1 1 18 HIS HB3 H 7.798 4.874 1.101 1.00 . A A . 18 HIS HB3 1 1 1 279 1 1 18 HIS HD1 H 9.059 7.929 -0.854 1.00 . A A . 18 HIS HD1 1 1 1 280 1 1 18 HIS HD2 H 9.718 6.028 2.822 1.00 . A A . 18 HIS HD2 1 1 1 281 1 1 18 HIS HE1 H 10.538 9.449 0.567 1.00 . A A . 18 HIS HE1 1 1 1 282 1 1 18 HIS N N 8.402 3.359 -1.145 1.00 . A A . 18 HIS N 1 1 1 283 1 1 18 HIS ND1 N 9.349 7.726 0.083 1.00 . A A . 18 HIS ND1 1 1 1 284 1 1 18 HIS NE2 N 10.366 7.918 2.051 1.00 . A A . 18 HIS NE2 1 1 1 285 1 1 18 HIS O O 11.356 4.371 0.302 1.00 . A A . 18 HIS O 1 1 1 286 1 1 19 GLY C C 11.782 1.359 1.469 1.00 . A A . 19 GLY C 1 1 1 287 1 1 19 GLY CA C 10.796 2.294 2.115 1.00 . A A . 19 GLY CA 1 1 1 288 1 1 19 GLY H H 8.966 2.497 1.153 1.00 . A A . 19 GLY H 1 1 1 289 1 1 19 GLY HA2 H 11.340 3.090 2.604 1.00 . A A . 19 GLY HA2 1 1 1 290 1 1 19 GLY HA3 H 10.189 1.717 2.797 1.00 . A A . 19 GLY HA3 1 1 1 291 1 1 19 GLY N N 9.887 2.880 1.157 1.00 . A A . 19 GLY N 1 1 1 292 1 1 19 GLY O O 12.749 0.942 2.106 1.00 . A A . 19 GLY O 1 1 1 293 1 1 20 GLU C C 13.481 0.928 -1.240 1.00 . A A . 20 GLU C 1 1 1 294 1 1 20 GLU CA C 12.395 0.123 -0.578 1.00 . A A . 20 GLU CA 1 1 1 295 1 1 20 GLU CB C 11.580 -0.640 -1.653 1.00 . A A . 20 GLU CB 1 1 1 296 1 1 20 GLU CD C 11.472 -2.348 -3.478 1.00 . A A . 20 GLU CD 1 1 1 297 1 1 20 GLU CG C 12.400 -1.633 -2.496 1.00 . A A . 20 GLU CG 1 1 1 298 1 1 20 GLU H H 10.765 1.369 -0.311 1.00 . A A . 20 GLU H 1 1 1 299 1 1 20 GLU HA H 12.849 -0.594 0.091 1.00 . A A . 20 GLU HA 1 1 1 300 1 1 20 GLU HB2 H 10.785 -1.213 -1.124 1.00 . A A . 20 GLU HB2 1 1 1 301 1 1 20 GLU HB3 H 11.069 0.089 -2.320 1.00 . A A . 20 GLU HB3 1 1 1 302 1 1 20 GLU HG2 H 13.188 -1.100 -3.069 1.00 . A A . 20 GLU HG2 1 1 1 303 1 1 20 GLU HG3 H 12.887 -2.374 -1.827 1.00 . A A . 20 GLU HG3 1 1 1 304 1 1 20 GLU N N 11.556 1.013 0.181 1.00 . A A . 20 GLU N 1 1 1 305 1 1 20 GLU O O 14.658 0.765 -0.923 1.00 . A A . 20 GLU O 1 1 1 306 1 1 20 GLU OE1 O 10.877 -1.651 -4.344 1.00 . A A . 20 GLU OE1 1 1 1 307 1 1 20 GLU OE2 O 11.346 -3.597 -3.376 1.00 . A A . 20 GLU OE2 1 1 1 308 1 1 21 HIS C C 14.477 3.750 -2.606 1.00 . A A . 21 HIS C 1 1 1 309 1 1 21 HIS CA C 14.009 2.421 -3.124 1.00 . A A . 21 HIS CA 1 1 1 310 1 1 21 HIS CB C 13.366 2.586 -4.525 1.00 . A A . 21 HIS CB 1 1 1 311 1 1 21 HIS CD2 C 14.794 2.081 -6.630 1.00 . A A . 21 HIS CD2 1 1 1 312 1 1 21 HIS CE1 C 15.797 3.950 -6.894 1.00 . A A . 21 HIS CE1 1 1 1 313 1 1 21 HIS CG C 14.347 2.889 -5.630 1.00 . A A . 21 HIS CG 1 1 1 314 1 1 21 HIS H H 12.140 1.950 -2.414 1.00 . A A . 21 HIS H 1 1 1 315 1 1 21 HIS HA H 14.858 1.777 -3.224 1.00 . A A . 21 HIS HA 1 1 1 316 1 1 21 HIS HB2 H 12.885 1.618 -4.790 1.00 . A A . 21 HIS HB2 1 1 1 317 1 1 21 HIS HB3 H 12.563 3.354 -4.508 1.00 . A A . 21 HIS HB3 1 1 1 318 1 1 21 HIS HD1 H 14.897 4.904 -5.229 1.00 . A A . 21 HIS HD1 1 1 1 319 1 1 21 HIS HD2 H 14.535 1.052 -6.851 1.00 . A A . 21 HIS HD2 1 1 1 320 1 1 21 HIS HE1 H 16.433 4.752 -7.265 1.00 . A A . 21 HIS HE1 1 1 1 321 1 1 21 HIS N N 13.098 1.800 -2.202 1.00 . A A . 21 HIS N 1 1 1 322 1 1 21 HIS ND1 N 14.999 4.091 -5.806 1.00 . A A . 21 HIS ND1 1 1 1 323 1 1 21 HIS NE2 N 15.706 2.748 -7.427 1.00 . A A . 21 HIS NE2 1 1 1 324 1 1 21 HIS O O 15.672 3.964 -2.408 1.00 . A A . 21 HIS O 1 1 1 325 1 1 22 ILE C C 13.620 6.361 -0.668 1.00 . A A . 22 ILE C 1 1 1 326 1 1 22 ILE CA C 13.773 6.080 -2.142 1.00 . A A . 22 ILE CA 1 1 1 327 1 1 22 ILE CB C 12.926 7.045 -2.981 1.00 . A A . 22 ILE CB 1 1 1 328 1 1 22 ILE CD1 C 10.583 8.038 -3.363 1.00 . A A . 22 ILE CD1 1 1 1 329 1 1 22 ILE CG1 C 11.392 6.840 -2.854 1.00 . A A . 22 ILE CG1 1 1 1 330 1 1 22 ILE CG2 C 13.394 6.924 -4.448 1.00 . A A . 22 ILE CG2 1 1 1 331 1 1 22 ILE H H 12.574 4.380 -2.473 1.00 . A A . 22 ILE H 1 1 1 332 1 1 22 ILE HA H 14.806 6.288 -2.383 1.00 . A A . 22 ILE HA 1 1 1 333 1 1 22 ILE HB H 13.158 8.086 -2.656 1.00 . A A . 22 ILE HB 1 1 1 334 1 1 22 ILE HD11 H 10.766 8.207 -4.445 1.00 . A A . 22 ILE HD11 1 1 1 335 1 1 22 ILE HD12 H 10.864 8.957 -2.807 1.00 . A A . 22 ILE HD12 1 1 1 336 1 1 22 ILE HD13 H 9.497 7.856 -3.215 1.00 . A A . 22 ILE HD13 1 1 1 337 1 1 22 ILE HG12 H 11.077 5.942 -3.425 1.00 . A A . 22 ILE HG12 1 1 1 338 1 1 22 ILE HG13 H 11.126 6.683 -1.786 1.00 . A A . 22 ILE HG13 1 1 1 339 1 1 22 ILE HG21 H 13.127 5.928 -4.859 1.00 . A A . 22 ILE HG21 1 1 1 340 1 1 22 ILE HG22 H 14.494 7.057 -4.516 1.00 . A A . 22 ILE HG22 1 1 1 341 1 1 22 ILE HG23 H 12.910 7.701 -5.075 1.00 . A A . 22 ILE HG23 1 1 1 342 1 1 22 ILE N N 13.517 4.676 -2.403 1.00 . A A . 22 ILE N 1 1 1 343 1 1 22 ILE O O 13.035 7.362 -0.256 1.00 . A A . 22 ILE O 1 1 1 344 1 1 23 HIS C C 15.154 6.641 2.035 1.00 . A A . 23 HIS C 1 1 1 345 1 1 23 HIS CA C 14.158 5.598 1.613 1.00 . A A . 23 HIS CA 1 1 1 346 1 1 23 HIS CB C 14.446 4.272 2.360 1.00 . A A . 23 HIS CB 1 1 1 347 1 1 23 HIS CD2 C 16.950 3.641 2.727 1.00 . A A . 23 HIS CD2 1 1 1 348 1 1 23 HIS CE1 C 17.333 2.555 0.923 1.00 . A A . 23 HIS CE1 1 1 1 349 1 1 23 HIS CG C 15.778 3.640 2.033 1.00 . A A . 23 HIS CG 1 1 1 350 1 1 23 HIS H H 14.643 4.654 -0.164 1.00 . A A . 23 HIS H 1 1 1 351 1 1 23 HIS HA H 13.167 5.925 1.885 1.00 . A A . 23 HIS HA 1 1 1 352 1 1 23 HIS HB2 H 14.382 4.449 3.456 1.00 . A A . 23 HIS HB2 1 1 1 353 1 1 23 HIS HB3 H 13.650 3.544 2.094 1.00 . A A . 23 HIS HB3 1 1 1 354 1 1 23 HIS HD1 H 15.377 2.756 0.139 1.00 . A A . 23 HIS HD1 1 1 1 355 1 1 23 HIS HD2 H 17.197 4.088 3.682 1.00 . A A . 23 HIS HD2 1 1 1 356 1 1 23 HIS HE1 H 17.809 1.982 0.129 1.00 . A A . 23 HIS HE1 1 1 1 357 1 1 23 HIS N N 14.190 5.471 0.178 1.00 . A A . 23 HIS N 1 1 1 358 1 1 23 HIS ND1 N 16.034 2.941 0.872 1.00 . A A . 23 HIS ND1 1 1 1 359 1 1 23 HIS NE2 N 17.930 2.958 2.029 1.00 . A A . 23 HIS NE2 1 1 1 360 1 1 23 HIS O O 16.303 6.634 1.595 1.00 . A A . 23 HIS O 1 1 1 361 1 1 24 HIS C C 15.906 8.445 4.763 1.00 . A A . 24 HIS C 1 1 1 362 1 1 24 HIS CA C 15.481 8.716 3.310 1.00 . A A . 24 HIS CA 1 1 1 363 1 1 24 HIS CB C 14.673 10.030 3.256 1.00 . A A . 24 HIS CB 1 1 1 364 1 1 24 HIS CD2 C 12.826 10.489 1.490 1.00 . A A . 24 HIS CD2 1 1 1 365 1 1 24 HIS CE1 C 14.007 10.588 -0.290 1.00 . A A . 24 HIS CE1 1 1 1 366 1 1 24 HIS CG C 14.114 10.298 1.885 1.00 . A A . 24 HIS CG 1 1 1 367 1 1 24 HIS H H 13.762 7.561 3.230 1.00 . A A . 24 HIS H 1 1 1 368 1 1 24 HIS HA H 16.352 8.821 2.675 1.00 . A A . 24 HIS HA 1 1 1 369 1 1 24 HIS HB2 H 13.819 9.979 3.965 1.00 . A A . 24 HIS HB2 1 1 1 370 1 1 24 HIS HB3 H 15.322 10.883 3.553 1.00 . A A . 24 HIS HB3 1 1 1 371 1 1 24 HIS HD1 H 15.864 10.251 0.675 1.00 . A A . 24 HIS HD1 1 1 1 372 1 1 24 HIS HD2 H 11.920 10.509 2.084 1.00 . A A . 24 HIS HD2 1 1 1 373 1 1 24 HIS HE1 H 14.332 10.679 -1.325 1.00 . A A . 24 HIS HE1 1 1 1 374 1 1 24 HIS N N 14.697 7.586 2.884 1.00 . A A . 24 HIS N 1 1 1 375 1 1 24 HIS ND1 N 14.870 10.364 0.733 1.00 . A A . 24 HIS ND1 1 1 1 376 1 1 24 HIS NE2 N 12.757 10.671 0.121 1.00 . A A . 24 HIS NE2 1 1 1 377 1 1 24 HIS O O 15.056 8.291 5.648 1.00 . A A . 24 HIS O 1 1 1 378 1 1 25 NH2 HN1 H 17.588 8.207 5.924 1.00 . A A . 25 NH2 HN1 1 1 1 379 1 1 25 NH2 HN2 H 17.898 8.508 4.245 1.00 . A A . 25 NH2 HN2 1 1 1 380 1 1 25 NH2 N N 17.252 8.384 4.998 1.00 . A A . 25 NH2 N 1 1 2 381 1 1 1 ACE C C -15.428 -0.079 0.911 1.00 . A A . 1 ACE C 1 1 2 382 1 1 1 ACE CH3 C -16.328 -1.165 0.422 1.00 . A A . 1 ACE CH3 1 1 2 383 1 1 1 ACE H1 H -17.169 -1.316 1.134 1.00 . A A . 1 ACE H1 1 1 2 384 1 1 1 ACE H2 H -16.749 -0.905 -0.573 1.00 . A A . 1 ACE H2 1 1 2 385 1 1 1 ACE H3 H -15.767 -2.120 0.331 1.00 . A A . 1 ACE H3 1 1 2 386 1 1 1 ACE O O -15.375 0.187 2.111 1.00 . A A . 1 ACE O 1 1 2 387 1 1 2 PHE C C -12.553 1.246 0.850 1.00 . A A . 2 PHE C 1 1 2 388 1 1 2 PHE CA C -13.821 1.694 0.175 1.00 . A A . 2 PHE CA 1 1 2 389 1 1 2 PHE CB C -14.443 2.933 0.882 1.00 . A A . 2 PHE CB 1 1 2 390 1 1 2 PHE CD1 C -15.433 4.098 -1.130 1.00 . A A . 2 PHE CD1 1 1 2 391 1 1 2 PHE CD2 C -16.936 3.234 0.562 1.00 . A A . 2 PHE CD2 1 1 2 392 1 1 2 PHE CE1 C -16.529 4.546 -1.877 1.00 . A A . 2 PHE CE1 1 1 2 393 1 1 2 PHE CE2 C -18.035 3.681 -0.184 1.00 . A A . 2 PHE CE2 1 1 2 394 1 1 2 PHE CG C -15.625 3.433 0.096 1.00 . A A . 2 PHE CG 1 1 2 395 1 1 2 PHE CZ C -17.831 4.336 -1.405 1.00 . A A . 2 PHE CZ 1 1 2 396 1 1 2 PHE H H -14.790 0.295 -0.993 1.00 . A A . 2 PHE H 1 1 2 397 1 1 2 PHE HA H -13.531 2.003 -0.819 1.00 . A A . 2 PHE HA 1 1 2 398 1 1 2 PHE HB2 H -14.778 2.686 1.911 1.00 . A A . 2 PHE HB2 1 1 2 399 1 1 2 PHE HB3 H -13.701 3.758 0.938 1.00 . A A . 2 PHE HB3 1 1 2 400 1 1 2 PHE HD1 H -14.432 4.261 -1.501 1.00 . A A . 2 PHE HD1 1 1 2 401 1 1 2 PHE HD2 H -17.101 2.723 1.499 1.00 . A A . 2 PHE HD2 1 1 2 402 1 1 2 PHE HE1 H -16.371 5.052 -2.817 1.00 . A A . 2 PHE HE1 1 1 2 403 1 1 2 PHE HE2 H -19.037 3.518 0.182 1.00 . A A . 2 PHE HE2 1 1 2 404 1 1 2 PHE HZ H -18.677 4.679 -1.981 1.00 . A A . 2 PHE HZ 1 1 2 405 1 1 2 PHE N N -14.709 0.570 -0.038 1.00 . A A . 2 PHE N 1 1 2 406 1 1 2 PHE O O -11.609 0.842 0.177 1.00 . A A . 2 PHE O 1 1 2 407 1 1 3 GLU C C -11.248 -0.566 3.118 1.00 . A A . 3 GLU C 1 1 2 408 1 1 3 GLU CA C -11.353 0.935 2.997 1.00 . A A . 3 GLU CA 1 1 2 409 1 1 3 GLU CB C -11.390 1.538 4.424 1.00 . A A . 3 GLU CB 1 1 2 410 1 1 3 GLU CD C -12.154 3.901 3.844 1.00 . A A . 3 GLU CD 1 1 2 411 1 1 3 GLU CG C -11.067 3.047 4.495 1.00 . A A . 3 GLU CG 1 1 2 412 1 1 3 GLU H H -13.296 1.609 2.726 1.00 . A A . 3 GLU H 1 1 2 413 1 1 3 GLU HA H -10.464 1.292 2.492 1.00 . A A . 3 GLU HA 1 1 2 414 1 1 3 GLU HB2 H -12.379 1.336 4.889 1.00 . A A . 3 GLU HB2 1 1 2 415 1 1 3 GLU HB3 H -10.618 1.034 5.051 1.00 . A A . 3 GLU HB3 1 1 2 416 1 1 3 GLU HG2 H -10.972 3.347 5.561 1.00 . A A . 3 GLU HG2 1 1 2 417 1 1 3 GLU HG3 H -10.092 3.233 3.997 1.00 . A A . 3 GLU HG3 1 1 2 418 1 1 3 GLU N N -12.507 1.296 2.202 1.00 . A A . 3 GLU N 1 1 2 419 1 1 3 GLU O O -10.173 -1.086 3.411 1.00 . A A . 3 GLU O 1 1 2 420 1 1 3 GLU OE1 O -13.319 3.844 4.322 1.00 . A A . 3 GLU OE1 1 1 2 421 1 1 3 GLU OE2 O -11.835 4.622 2.861 1.00 . A A . 3 GLU OE2 1 1 2 422 1 1 4 ASP C C -11.747 -3.229 1.547 1.00 . A A . 4 ASP C 1 1 2 423 1 1 4 ASP CA C -12.396 -2.744 2.815 1.00 . A A . 4 ASP CA 1 1 2 424 1 1 4 ASP CB C -13.838 -3.308 2.856 1.00 . A A . 4 ASP CB 1 1 2 425 1 1 4 ASP CG C -14.522 -2.900 4.161 1.00 . A A . 4 ASP CG 1 1 2 426 1 1 4 ASP H H -13.226 -0.849 2.639 1.00 . A A . 4 ASP H 1 1 2 427 1 1 4 ASP HA H -11.819 -3.115 3.642 1.00 . A A . 4 ASP HA 1 1 2 428 1 1 4 ASP HB2 H -14.423 -2.920 1.995 1.00 . A A . 4 ASP HB2 1 1 2 429 1 1 4 ASP HB3 H -13.820 -4.418 2.798 1.00 . A A . 4 ASP HB3 1 1 2 430 1 1 4 ASP N N -12.362 -1.296 2.858 1.00 . A A . 4 ASP N 1 1 2 431 1 1 4 ASP O O -11.125 -4.289 1.512 1.00 . A A . 4 ASP O 1 1 2 432 1 1 4 ASP OD1 O -14.011 -3.294 5.243 1.00 . A A . 4 ASP OD1 1 1 2 433 1 1 4 ASP OD2 O -15.562 -2.193 4.093 1.00 . A A . 4 ASP OD2 1 1 2 434 1 1 5 LEU C C -9.861 -1.952 -0.724 1.00 . A A . 5 LEU C 1 1 2 435 1 1 5 LEU CA C -11.230 -2.598 -0.796 1.00 . A A . 5 LEU CA 1 1 2 436 1 1 5 LEU CB C -12.023 -1.911 -1.938 1.00 . A A . 5 LEU CB 1 1 2 437 1 1 5 LEU CD1 C -14.255 -1.533 -3.101 1.00 . A A . 5 LEU CD1 1 1 2 438 1 1 5 LEU CD2 C -13.582 -3.892 -2.442 1.00 . A A . 5 LEU CD2 1 1 2 439 1 1 5 LEU CG C -13.485 -2.397 -2.081 1.00 . A A . 5 LEU CG 1 1 2 440 1 1 5 LEU H H -12.376 -1.562 0.606 1.00 . A A . 5 LEU H 1 1 2 441 1 1 5 LEU HA H -11.136 -3.659 -0.978 1.00 . A A . 5 LEU HA 1 1 2 442 1 1 5 LEU HB2 H -12.040 -0.814 -1.747 1.00 . A A . 5 LEU HB2 1 1 2 443 1 1 5 LEU HB3 H -11.509 -2.076 -2.909 1.00 . A A . 5 LEU HB3 1 1 2 444 1 1 5 LEU HD11 H -14.224 -0.464 -2.801 1.00 . A A . 5 LEU HD11 1 1 2 445 1 1 5 LEU HD12 H -15.317 -1.854 -3.150 1.00 . A A . 5 LEU HD12 1 1 2 446 1 1 5 LEU HD13 H -13.804 -1.634 -4.110 1.00 . A A . 5 LEU HD13 1 1 2 447 1 1 5 LEU HD21 H -13.131 -4.523 -1.647 1.00 . A A . 5 LEU HD21 1 1 2 448 1 1 5 LEU HD22 H -13.054 -4.093 -3.398 1.00 . A A . 5 LEU HD22 1 1 2 449 1 1 5 LEU HD23 H -14.646 -4.189 -2.557 1.00 . A A . 5 LEU HD23 1 1 2 450 1 1 5 LEU HG H -13.988 -2.256 -1.098 1.00 . A A . 5 LEU HG 1 1 2 451 1 1 5 LEU N N -11.865 -2.406 0.485 1.00 . A A . 5 LEU N 1 1 2 452 1 1 5 LEU O O -9.570 -1.287 0.269 1.00 . A A . 5 LEU O 1 1 2 453 1 1 6 PRO C C -7.944 0.116 -2.122 1.00 . A A . 6 PRO C 1 1 2 454 1 1 6 PRO CA C -7.740 -1.352 -1.790 1.00 . A A . 6 PRO CA 1 1 2 455 1 1 6 PRO CB C -6.931 -2.067 -2.887 1.00 . A A . 6 PRO CB 1 1 2 456 1 1 6 PRO CD C -8.940 -3.299 -2.563 1.00 . A A . 6 PRO CD 1 1 2 457 1 1 6 PRO CG C -7.452 -3.504 -2.845 1.00 . A A . 6 PRO CG 1 1 2 458 1 1 6 PRO HA H -7.234 -1.427 -0.837 1.00 . A A . 6 PRO HA 1 1 2 459 1 1 6 PRO HB2 H -7.150 -1.669 -3.902 1.00 . A A . 6 PRO HB2 1 1 2 460 1 1 6 PRO HB3 H -5.841 -2.010 -2.696 1.00 . A A . 6 PRO HB3 1 1 2 461 1 1 6 PRO HD2 H -9.493 -3.090 -3.503 1.00 . A A . 6 PRO HD2 1 1 2 462 1 1 6 PRO HD3 H -9.365 -4.189 -2.051 1.00 . A A . 6 PRO HD3 1 1 2 463 1 1 6 PRO HG2 H -7.267 -4.052 -3.790 1.00 . A A . 6 PRO HG2 1 1 2 464 1 1 6 PRO HG3 H -6.981 -4.046 -1.996 1.00 . A A . 6 PRO HG3 1 1 2 465 1 1 6 PRO N N -8.990 -2.099 -1.722 1.00 . A A . 6 PRO N 1 1 2 466 1 1 6 PRO O O -7.799 0.502 -3.282 1.00 . A A . 6 PRO O 1 1 2 467 1 1 7 ASN C C -6.993 2.766 -0.421 1.00 . A A . 7 ASN C 1 1 2 468 1 1 7 ASN CA C -8.221 2.391 -1.185 1.00 . A A . 7 ASN CA 1 1 2 469 1 1 7 ASN CB C -9.487 3.060 -0.581 1.00 . A A . 7 ASN CB 1 1 2 470 1 1 7 ASN CG C -9.446 4.593 -0.703 1.00 . A A . 7 ASN CG 1 1 2 471 1 1 7 ASN H H -8.470 0.592 -0.205 1.00 . A A . 7 ASN H 1 1 2 472 1 1 7 ASN HA H -8.088 2.692 -2.200 1.00 . A A . 7 ASN HA 1 1 2 473 1 1 7 ASN HB2 H -10.372 2.705 -1.153 1.00 . A A . 7 ASN HB2 1 1 2 474 1 1 7 ASN HB3 H -9.630 2.755 0.476 1.00 . A A . 7 ASN HB3 1 1 2 475 1 1 7 ASN HD21 H -9.411 4.809 1.345 1.00 . A A . 7 ASN HD21 1 1 2 476 1 1 7 ASN HD22 H -9.372 6.294 0.452 1.00 . A A . 7 ASN HD22 1 1 2 477 1 1 7 ASN N N -8.254 0.952 -1.106 1.00 . A A . 7 ASN N 1 1 2 478 1 1 7 ASN ND2 N -9.406 5.294 0.470 1.00 . A A . 7 ASN ND2 1 1 2 479 1 1 7 ASN O O -6.045 3.339 -0.954 1.00 . A A . 7 ASN O 1 1 2 480 1 1 7 ASN OD1 O -9.446 5.131 -1.816 1.00 . A A . 7 ASN OD1 1 1 2 481 1 1 8 PHE C C -4.955 1.454 1.655 1.00 . A A . 8 PHE C 1 1 2 482 1 1 8 PHE CA C -5.949 2.580 1.821 1.00 . A A . 8 PHE CA 1 1 2 483 1 1 8 PHE CB C -6.494 2.610 3.275 1.00 . A A . 8 PHE CB 1 1 2 484 1 1 8 PHE CD1 C -4.951 4.360 4.251 1.00 . A A . 8 PHE CD1 1 1 2 485 1 1 8 PHE CD2 C -4.851 2.107 5.137 1.00 . A A . 8 PHE CD2 1 1 2 486 1 1 8 PHE CE1 C -3.918 4.746 5.115 1.00 . A A . 8 PHE CE1 1 1 2 487 1 1 8 PHE CE2 C -3.817 2.491 6.000 1.00 . A A . 8 PHE CE2 1 1 2 488 1 1 8 PHE CG C -5.425 3.036 4.251 1.00 . A A . 8 PHE CG 1 1 2 489 1 1 8 PHE CZ C -3.349 3.811 5.987 1.00 . A A . 8 PHE CZ 1 1 2 490 1 1 8 PHE H H -7.828 1.919 1.186 1.00 . A A . 8 PHE H 1 1 2 491 1 1 8 PHE HA H -5.461 3.516 1.591 1.00 . A A . 8 PHE HA 1 1 2 492 1 1 8 PHE HB2 H -7.318 3.352 3.342 1.00 . A A . 8 PHE HB2 1 1 2 493 1 1 8 PHE HB3 H -6.895 1.615 3.570 1.00 . A A . 8 PHE HB3 1 1 2 494 1 1 8 PHE HD1 H -5.375 5.083 3.570 1.00 . A A . 8 PHE HD1 1 1 2 495 1 1 8 PHE HD2 H -5.196 1.084 5.139 1.00 . A A . 8 PHE HD2 1 1 2 496 1 1 8 PHE HE1 H -3.556 5.764 5.101 1.00 . A A . 8 PHE HE1 1 1 2 497 1 1 8 PHE HE2 H -3.378 1.767 6.671 1.00 . A A . 8 PHE HE2 1 1 2 498 1 1 8 PHE HZ H -2.550 4.107 6.650 1.00 . A A . 8 PHE HZ 1 1 2 499 1 1 8 PHE N N -7.013 2.391 0.869 1.00 . A A . 8 PHE N 1 1 2 500 1 1 8 PHE O O -3.775 1.614 1.957 1.00 . A A . 8 PHE O 1 1 2 501 1 1 9 GLY C C -3.742 -0.676 -0.335 1.00 . A A . 9 GLY C 1 1 2 502 1 1 9 GLY CA C -4.590 -0.867 0.891 1.00 . A A . 9 GLY CA 1 1 2 503 1 1 9 GLY H H -6.380 0.183 0.896 1.00 . A A . 9 GLY H 1 1 2 504 1 1 9 GLY HA2 H -3.942 -1.015 1.743 1.00 . A A . 9 GLY HA2 1 1 2 505 1 1 9 GLY HA3 H -5.258 -1.696 0.714 1.00 . A A . 9 GLY HA3 1 1 2 506 1 1 9 GLY N N -5.419 0.289 1.139 1.00 . A A . 9 GLY N 1 1 2 507 1 1 9 GLY O O -2.683 -1.288 -0.454 1.00 . A A . 9 GLY O 1 1 2 508 1 1 10 HIS C C -2.506 1.662 -2.172 1.00 . A A . 10 HIS C 1 1 2 509 1 1 10 HIS CA C -3.470 0.545 -2.471 1.00 . A A . 10 HIS CA 1 1 2 510 1 1 10 HIS CB C -4.416 1.007 -3.604 1.00 . A A . 10 HIS CB 1 1 2 511 1 1 10 HIS CD2 C -3.601 2.465 -5.596 1.00 . A A . 10 HIS CD2 1 1 2 512 1 1 10 HIS CE1 C -2.472 1.014 -6.691 1.00 . A A . 10 HIS CE1 1 1 2 513 1 1 10 HIS CG C -3.712 1.300 -4.902 1.00 . A A . 10 HIS CG 1 1 2 514 1 1 10 HIS H H -5.062 0.670 -1.151 1.00 . A A . 10 HIS H 1 1 2 515 1 1 10 HIS HA H -2.906 -0.316 -2.806 1.00 . A A . 10 HIS HA 1 1 2 516 1 1 10 HIS HB2 H -5.156 0.201 -3.798 1.00 . A A . 10 HIS HB2 1 1 2 517 1 1 10 HIS HB3 H -4.979 1.911 -3.282 1.00 . A A . 10 HIS HB3 1 1 2 518 1 1 10 HIS HD1 H -2.855 -0.592 -5.362 1.00 . A A . 10 HIS HD1 1 1 2 519 1 1 10 HIS HD2 H -4.016 3.440 -5.376 1.00 . A A . 10 HIS HD2 1 1 2 520 1 1 10 HIS HE1 H -1.845 0.518 -7.431 1.00 . A A . 10 HIS HE1 1 1 2 521 1 1 10 HIS N N -4.193 0.196 -1.272 1.00 . A A . 10 HIS N 1 1 2 522 1 1 10 HIS ND1 N -2.982 0.369 -5.611 1.00 . A A . 10 HIS ND1 1 1 2 523 1 1 10 HIS NE2 N -2.820 2.286 -6.725 1.00 . A A . 10 HIS NE2 1 1 2 524 1 1 10 HIS O O -1.482 1.791 -2.838 1.00 . A A . 10 HIS O 1 1 2 525 1 1 11 ILE C C -0.777 3.066 0.043 1.00 . A A . 11 ILE C 1 1 2 526 1 1 11 ILE CA C -1.983 3.595 -0.703 1.00 . A A . 11 ILE CA 1 1 2 527 1 1 11 ILE CB C -2.803 4.626 0.089 1.00 . A A . 11 ILE CB 1 1 2 528 1 1 11 ILE CD1 C -3.667 5.867 -2.014 1.00 . A A . 11 ILE CD1 1 1 2 529 1 1 11 ILE CG1 C -2.896 5.962 -0.691 1.00 . A A . 11 ILE CG1 1 1 2 530 1 1 11 ILE CG2 C -2.312 4.861 1.539 1.00 . A A . 11 ILE CG2 1 1 2 531 1 1 11 ILE H H -3.645 2.357 -0.612 1.00 . A A . 11 ILE H 1 1 2 532 1 1 11 ILE HA H -1.606 4.075 -1.593 1.00 . A A . 11 ILE HA 1 1 2 533 1 1 11 ILE HB H -3.843 4.234 0.177 1.00 . A A . 11 ILE HB 1 1 2 534 1 1 11 ILE HD11 H -3.161 5.181 -2.726 1.00 . A A . 11 ILE HD11 1 1 2 535 1 1 11 ILE HD12 H -3.736 6.870 -2.487 1.00 . A A . 11 ILE HD12 1 1 2 536 1 1 11 ILE HD13 H -4.697 5.493 -1.832 1.00 . A A . 11 ILE HD13 1 1 2 537 1 1 11 ILE HG12 H -3.412 6.707 -0.044 1.00 . A A . 11 ILE HG12 1 1 2 538 1 1 11 ILE HG13 H -1.869 6.339 -0.887 1.00 . A A . 11 ILE HG13 1 1 2 539 1 1 11 ILE HG21 H -2.990 5.577 2.051 1.00 . A A . 11 ILE HG21 1 1 2 540 1 1 11 ILE HG22 H -1.290 5.293 1.546 1.00 . A A . 11 ILE HG22 1 1 2 541 1 1 11 ILE HG23 H -2.315 3.915 2.119 1.00 . A A . 11 ILE HG23 1 1 2 542 1 1 11 ILE N N -2.809 2.487 -1.138 1.00 . A A . 11 ILE N 1 1 2 543 1 1 11 ILE O O 0.274 3.702 0.064 1.00 . A A . 11 ILE O 1 1 2 544 1 1 12 GLN C C 1.180 0.601 0.510 1.00 . A A . 12 GLN C 1 1 2 545 1 1 12 GLN CA C 0.105 1.179 1.405 1.00 . A A . 12 GLN CA 1 1 2 546 1 1 12 GLN CB C -0.542 0.051 2.244 1.00 . A A . 12 GLN CB 1 1 2 547 1 1 12 GLN CD C -0.412 -1.569 4.162 1.00 . A A . 12 GLN CD 1 1 2 548 1 1 12 GLN CG C 0.360 -0.522 3.352 1.00 . A A . 12 GLN CG 1 1 2 549 1 1 12 GLN H H -1.774 1.361 0.572 1.00 . A A . 12 GLN H 1 1 2 550 1 1 12 GLN HA H 0.553 1.906 2.069 1.00 . A A . 12 GLN HA 1 1 2 551 1 1 12 GLN HB2 H -1.446 0.479 2.736 1.00 . A A . 12 GLN HB2 1 1 2 552 1 1 12 GLN HB3 H -0.886 -0.759 1.567 1.00 . A A . 12 GLN HB3 1 1 2 553 1 1 12 GLN HE21 H -0.455 -2.847 2.550 1.00 . A A . 12 GLN HE21 1 1 2 554 1 1 12 GLN HE22 H -1.232 -3.447 3.979 1.00 . A A . 12 GLN HE22 1 1 2 555 1 1 12 GLN HG2 H 1.266 -0.990 2.915 1.00 . A A . 12 GLN HG2 1 1 2 556 1 1 12 GLN HG3 H 0.678 0.297 4.032 1.00 . A A . 12 GLN HG3 1 1 2 557 1 1 12 GLN N N -0.910 1.854 0.633 1.00 . A A . 12 GLN N 1 1 2 558 1 1 12 GLN NE2 N -0.729 -2.726 3.504 1.00 . A A . 12 GLN NE2 1 1 2 559 1 1 12 GLN O O 2.287 0.312 0.961 1.00 . A A . 12 GLN O 1 1 2 560 1 1 12 GLN OE1 O -0.716 -1.354 5.341 1.00 . A A . 12 GLN OE1 1 1 2 561 1 1 13 VAL C C 2.855 0.970 -2.122 1.00 . A A . 13 VAL C 1 1 2 562 1 1 13 VAL CA C 1.800 -0.063 -1.806 1.00 . A A . 13 VAL CA 1 1 2 563 1 1 13 VAL CB C 1.075 -0.501 -3.078 1.00 . A A . 13 VAL CB 1 1 2 564 1 1 13 VAL CG1 C 2.055 -1.104 -4.109 1.00 . A A . 13 VAL CG1 1 1 2 565 1 1 13 VAL CG2 C -0.005 -1.533 -2.695 1.00 . A A . 13 VAL CG2 1 1 2 566 1 1 13 VAL H H -0.015 0.700 -1.155 1.00 . A A . 13 VAL H 1 1 2 567 1 1 13 VAL HA H 2.302 -0.905 -1.372 1.00 . A A . 13 VAL HA 1 1 2 568 1 1 13 VAL HB H 0.562 0.372 -3.543 1.00 . A A . 13 VAL HB 1 1 2 569 1 1 13 VAL HG11 H 2.756 -0.336 -4.495 1.00 . A A . 13 VAL HG11 1 1 2 570 1 1 13 VAL HG12 H 1.490 -1.514 -4.973 1.00 . A A . 13 VAL HG12 1 1 2 571 1 1 13 VAL HG13 H 2.641 -1.928 -3.648 1.00 . A A . 13 VAL HG13 1 1 2 572 1 1 13 VAL HG21 H -0.504 -1.918 -3.610 1.00 . A A . 13 VAL HG21 1 1 2 573 1 1 13 VAL HG22 H -0.781 -1.074 -2.052 1.00 . A A . 13 VAL HG22 1 1 2 574 1 1 13 VAL HG23 H 0.452 -2.389 -2.154 1.00 . A A . 13 VAL HG23 1 1 2 575 1 1 13 VAL N N 0.885 0.451 -0.806 1.00 . A A . 13 VAL N 1 1 2 576 1 1 13 VAL O O 3.990 0.637 -2.456 1.00 . A A . 13 VAL O 1 1 2 577 1 1 14 LYS C C 4.322 3.565 -1.053 1.00 . A A . 14 LYS C 1 1 2 578 1 1 14 LYS CA C 3.383 3.381 -2.220 1.00 . A A . 14 LYS CA 1 1 2 579 1 1 14 LYS CB C 2.659 4.730 -2.457 1.00 . A A . 14 LYS CB 1 1 2 580 1 1 14 LYS CD C 0.532 4.170 -3.833 1.00 . A A . 14 LYS CD 1 1 2 581 1 1 14 LYS CE C -0.284 4.465 -5.099 1.00 . A A . 14 LYS CE 1 1 2 582 1 1 14 LYS CG C 1.911 4.847 -3.800 1.00 . A A . 14 LYS CG 1 1 2 583 1 1 14 LYS H H 1.590 2.467 -1.624 1.00 . A A . 14 LYS H 1 1 2 584 1 1 14 LYS HA H 3.977 3.154 -3.095 1.00 . A A . 14 LYS HA 1 1 2 585 1 1 14 LYS HB2 H 1.959 4.943 -1.620 1.00 . A A . 14 LYS HB2 1 1 2 586 1 1 14 LYS HB3 H 3.424 5.542 -2.469 1.00 . A A . 14 LYS HB3 1 1 2 587 1 1 14 LYS HD2 H 0.646 3.071 -3.726 1.00 . A A . 14 LYS HD2 1 1 2 588 1 1 14 LYS HD3 H -0.049 4.542 -2.961 1.00 . A A . 14 LYS HD3 1 1 2 589 1 1 14 LYS HE2 H -1.301 4.030 -5.005 1.00 . A A . 14 LYS HE2 1 1 2 590 1 1 14 LYS HE3 H -0.368 5.560 -5.265 1.00 . A A . 14 LYS HE3 1 1 2 591 1 1 14 LYS HG2 H 1.749 5.931 -3.997 1.00 . A A . 14 LYS HG2 1 1 2 592 1 1 14 LYS HG3 H 2.554 4.449 -4.614 1.00 . A A . 14 LYS HG3 1 1 2 593 1 1 14 LYS HZ1 H 1.300 4.270 -6.423 1.00 . A A . 14 LYS HZ1 1 1 2 594 1 1 14 LYS HZ2 H -0.230 4.078 -7.136 1.00 . A A . 14 LYS HZ2 1 1 2 595 1 1 14 LYS HZ3 H 0.419 2.839 -6.174 1.00 . A A . 14 LYS HZ3 1 1 2 596 1 1 14 LYS N N 2.499 2.262 -1.969 1.00 . A A . 14 LYS N 1 1 2 597 1 1 14 LYS NZ N 0.349 3.869 -6.298 1.00 . A A . 14 LYS NZ 1 1 2 598 1 1 14 LYS O O 5.406 4.116 -1.225 1.00 . A A . 14 LYS O 1 1 2 599 1 1 15 VAL C C 5.802 2.058 1.266 1.00 . A A . 15 VAL C 1 1 2 600 1 1 15 VAL CA C 4.739 3.129 1.358 1.00 . A A . 15 VAL CA 1 1 2 601 1 1 15 VAL CB C 3.907 2.933 2.623 1.00 . A A . 15 VAL CB 1 1 2 602 1 1 15 VAL CG1 C 4.786 3.039 3.888 1.00 . A A . 15 VAL CG1 1 1 2 603 1 1 15 VAL CG2 C 2.787 3.995 2.648 1.00 . A A . 15 VAL CG2 1 1 2 604 1 1 15 VAL H H 3.045 2.644 0.262 1.00 . A A . 15 VAL H 1 1 2 605 1 1 15 VAL HA H 5.224 4.095 1.401 1.00 . A A . 15 VAL HA 1 1 2 606 1 1 15 VAL HB H 3.427 1.929 2.611 1.00 . A A . 15 VAL HB 1 1 2 607 1 1 15 VAL HG11 H 5.333 4.005 3.898 1.00 . A A . 15 VAL HG11 1 1 2 608 1 1 15 VAL HG12 H 5.520 2.208 3.938 1.00 . A A . 15 VAL HG12 1 1 2 609 1 1 15 VAL HG13 H 4.148 2.986 4.797 1.00 . A A . 15 VAL HG13 1 1 2 610 1 1 15 VAL HG21 H 3.222 5.016 2.607 1.00 . A A . 15 VAL HG21 1 1 2 611 1 1 15 VAL HG22 H 2.195 3.900 3.583 1.00 . A A . 15 VAL HG22 1 1 2 612 1 1 15 VAL HG23 H 2.094 3.869 1.793 1.00 . A A . 15 VAL HG23 1 1 2 613 1 1 15 VAL N N 3.933 3.084 0.155 1.00 . A A . 15 VAL N 1 1 2 614 1 1 15 VAL O O 6.932 2.251 1.713 1.00 . A A . 15 VAL O 1 1 2 615 1 1 16 PHE C C 7.407 0.133 -0.599 1.00 . A A . 16 PHE C 1 1 2 616 1 1 16 PHE CA C 6.356 -0.208 0.426 1.00 . A A . 16 PHE CA 1 1 2 617 1 1 16 PHE CB C 5.622 -1.480 -0.082 1.00 . A A . 16 PHE CB 1 1 2 618 1 1 16 PHE CD1 C 4.818 -2.000 2.306 1.00 . A A . 16 PHE CD1 1 1 2 619 1 1 16 PHE CD2 C 3.537 -2.783 0.410 1.00 . A A . 16 PHE CD2 1 1 2 620 1 1 16 PHE CE1 C 3.905 -2.613 3.174 1.00 . A A . 16 PHE CE1 1 1 2 621 1 1 16 PHE CE2 C 2.623 -3.394 1.275 1.00 . A A . 16 PHE CE2 1 1 2 622 1 1 16 PHE CG C 4.644 -2.072 0.908 1.00 . A A . 16 PHE CG 1 1 2 623 1 1 16 PHE CZ C 2.810 -3.312 2.659 1.00 . A A . 16 PHE CZ 1 1 2 624 1 1 16 PHE H H 4.537 0.778 0.278 1.00 . A A . 16 PHE H 1 1 2 625 1 1 16 PHE HA H 6.867 -0.414 1.356 1.00 . A A . 16 PHE HA 1 1 2 626 1 1 16 PHE HB2 H 5.066 -1.237 -1.014 1.00 . A A . 16 PHE HB2 1 1 2 627 1 1 16 PHE HB3 H 6.354 -2.282 -0.315 1.00 . A A . 16 PHE HB3 1 1 2 628 1 1 16 PHE HD1 H 5.662 -1.488 2.738 1.00 . A A . 16 PHE HD1 1 1 2 629 1 1 16 PHE HD2 H 3.393 -2.865 -0.658 1.00 . A A . 16 PHE HD2 1 1 2 630 1 1 16 PHE HE1 H 4.052 -2.552 4.242 1.00 . A A . 16 PHE HE1 1 1 2 631 1 1 16 PHE HE2 H 1.778 -3.934 0.874 1.00 . A A . 16 PHE HE2 1 1 2 632 1 1 16 PHE HZ H 2.107 -3.786 3.328 1.00 . A A . 16 PHE HZ 1 1 2 633 1 1 16 PHE N N 5.458 0.906 0.639 1.00 . A A . 16 PHE N 1 1 2 634 1 1 16 PHE O O 8.525 -0.367 -0.525 1.00 . A A . 16 PHE O 1 1 2 635 1 1 17 ASN C C 8.787 2.610 -2.224 1.00 . A A . 17 ASN C 1 1 2 636 1 1 17 ASN CA C 7.983 1.401 -2.631 1.00 . A A . 17 ASN CA 1 1 2 637 1 1 17 ASN CB C 7.236 1.767 -3.940 1.00 . A A . 17 ASN CB 1 1 2 638 1 1 17 ASN CG C 6.498 0.544 -4.506 1.00 . A A . 17 ASN CG 1 1 2 639 1 1 17 ASN H H 6.160 1.403 -1.626 1.00 . A A . 17 ASN H 1 1 2 640 1 1 17 ASN HA H 8.688 0.599 -2.806 1.00 . A A . 17 ASN HA 1 1 2 641 1 1 17 ASN HB2 H 6.506 2.581 -3.736 1.00 . A A . 17 ASN HB2 1 1 2 642 1 1 17 ASN HB3 H 7.956 2.119 -4.710 1.00 . A A . 17 ASN HB3 1 1 2 643 1 1 17 ASN HD21 H 5.231 1.772 -5.569 1.00 . A A . 17 ASN HD21 1 1 2 644 1 1 17 ASN HD22 H 4.938 0.076 -5.764 1.00 . A A . 17 ASN HD22 1 1 2 645 1 1 17 ASN N N 7.074 1.007 -1.576 1.00 . A A . 17 ASN N 1 1 2 646 1 1 17 ASN ND2 N 5.463 0.823 -5.357 1.00 . A A . 17 ASN ND2 1 1 2 647 1 1 17 ASN O O 9.773 2.940 -2.878 1.00 . A A . 17 ASN O 1 1 2 648 1 1 17 ASN OD1 O 6.836 -0.609 -4.214 1.00 . A A . 17 ASN OD1 1 1 2 649 1 1 18 HIS C C 10.282 4.034 0.152 1.00 . A A . 18 HIS C 1 1 2 650 1 1 18 HIS CA C 9.078 4.469 -0.637 1.00 . A A . 18 HIS CA 1 1 2 651 1 1 18 HIS CB C 8.173 5.355 0.252 1.00 . A A . 18 HIS CB 1 1 2 652 1 1 18 HIS CD2 C 9.531 6.868 1.852 1.00 . A A . 18 HIS CD2 1 1 2 653 1 1 18 HIS CE1 C 9.685 8.649 0.678 1.00 . A A . 18 HIS CE1 1 1 2 654 1 1 18 HIS CG C 8.848 6.620 0.703 1.00 . A A . 18 HIS CG 1 1 2 655 1 1 18 HIS H H 7.598 3.017 -0.595 1.00 . A A . 18 HIS H 1 1 2 656 1 1 18 HIS HA H 9.411 5.063 -1.474 1.00 . A A . 18 HIS HA 1 1 2 657 1 1 18 HIS HB2 H 7.268 5.637 -0.324 1.00 . A A . 18 HIS HB2 1 1 2 658 1 1 18 HIS HB3 H 7.835 4.786 1.145 1.00 . A A . 18 HIS HB3 1 1 2 659 1 1 18 HIS HD1 H 8.573 7.908 -0.967 1.00 . A A . 18 HIS HD1 1 1 2 660 1 1 18 HIS HD2 H 9.715 6.204 2.685 1.00 . A A . 18 HIS HD2 1 1 2 661 1 1 18 HIS HE1 H 9.926 9.651 0.325 1.00 . A A . 18 HIS HE1 1 1 2 662 1 1 18 HIS N N 8.395 3.296 -1.125 1.00 . A A . 18 HIS N 1 1 2 663 1 1 18 HIS ND1 N 8.956 7.768 -0.052 1.00 . A A . 18 HIS ND1 1 1 2 664 1 1 18 HIS NE2 N 10.057 8.148 1.841 1.00 . A A . 18 HIS NE2 1 1 2 665 1 1 18 HIS O O 11.413 4.379 -0.190 1.00 . A A . 18 HIS O 1 1 2 666 1 1 19 GLY C C 11.724 1.561 1.789 1.00 . A A . 19 GLY C 1 1 2 667 1 1 19 GLY CA C 11.082 2.865 2.161 1.00 . A A . 19 GLY CA 1 1 2 668 1 1 19 GLY H H 9.128 2.962 1.470 1.00 . A A . 19 GLY H 1 1 2 669 1 1 19 GLY HA2 H 11.847 3.630 2.190 1.00 . A A . 19 GLY HA2 1 1 2 670 1 1 19 GLY HA3 H 10.593 2.731 3.115 1.00 . A A . 19 GLY HA3 1 1 2 671 1 1 19 GLY N N 10.051 3.257 1.234 1.00 . A A . 19 GLY N 1 1 2 672 1 1 19 GLY O O 12.651 1.136 2.477 1.00 . A A . 19 GLY O 1 1 2 673 1 1 20 GLU C C 11.396 -1.470 1.317 1.00 . A A . 20 GLU C 1 1 2 674 1 1 20 GLU CA C 11.685 -0.420 0.274 1.00 . A A . 20 GLU CA 1 1 2 675 1 1 20 GLU CB C 13.160 -0.492 -0.207 1.00 . A A . 20 GLU CB 1 1 2 676 1 1 20 GLU CD C 12.698 0.008 -2.632 1.00 . A A . 20 GLU CD 1 1 2 677 1 1 20 GLU CG C 13.477 0.441 -1.392 1.00 . A A . 20 GLU CG 1 1 2 678 1 1 20 GLU H H 10.497 1.268 0.154 1.00 . A A . 20 GLU H 1 1 2 679 1 1 20 GLU HA H 11.064 -0.662 -0.574 1.00 . A A . 20 GLU HA 1 1 2 680 1 1 20 GLU HB2 H 13.833 -0.222 0.636 1.00 . A A . 20 GLU HB2 1 1 2 681 1 1 20 GLU HB3 H 13.406 -1.533 -0.509 1.00 . A A . 20 GLU HB3 1 1 2 682 1 1 20 GLU HG2 H 13.223 1.491 -1.128 1.00 . A A . 20 GLU HG2 1 1 2 683 1 1 20 GLU HG3 H 14.565 0.393 -1.617 1.00 . A A . 20 GLU HG3 1 1 2 684 1 1 20 GLU N N 11.237 0.889 0.710 1.00 . A A . 20 GLU N 1 1 2 685 1 1 20 GLU O O 12.219 -2.344 1.590 1.00 . A A . 20 GLU O 1 1 2 686 1 1 20 GLU OE1 O 12.912 -1.145 -3.095 1.00 . A A . 20 GLU OE1 1 1 2 687 1 1 20 GLU OE2 O 11.879 0.823 -3.136 1.00 . A A . 20 GLU OE2 1 1 2 688 1 1 21 HIS C C 8.945 -3.392 2.003 1.00 . A A . 21 HIS C 1 1 2 689 1 1 21 HIS CA C 9.664 -2.371 2.832 1.00 . A A . 21 HIS CA 1 1 2 690 1 1 21 HIS CB C 8.687 -1.758 3.861 1.00 . A A . 21 HIS CB 1 1 2 691 1 1 21 HIS CD2 C 8.835 -3.677 5.615 1.00 . A A . 21 HIS CD2 1 1 2 692 1 1 21 HIS CE1 C 6.825 -3.673 6.348 1.00 . A A . 21 HIS CE1 1 1 2 693 1 1 21 HIS CG C 8.177 -2.719 4.905 1.00 . A A . 21 HIS CG 1 1 2 694 1 1 21 HIS H H 9.547 -0.668 1.710 1.00 . A A . 21 HIS H 1 1 2 695 1 1 21 HIS HA H 10.496 -2.820 3.339 1.00 . A A . 21 HIS HA 1 1 2 696 1 1 21 HIS HB2 H 9.206 -0.934 4.396 1.00 . A A . 21 HIS HB2 1 1 2 697 1 1 21 HIS HB3 H 7.824 -1.317 3.318 1.00 . A A . 21 HIS HB3 1 1 2 698 1 1 21 HIS HD1 H 6.144 -2.119 5.078 1.00 . A A . 21 HIS HD1 1 1 2 699 1 1 21 HIS HD2 H 9.870 -3.990 5.569 1.00 . A A . 21 HIS HD2 1 1 2 700 1 1 21 HIS HE1 H 5.914 -3.893 6.902 1.00 . A A . 21 HIS HE1 1 1 2 701 1 1 21 HIS N N 10.181 -1.400 1.912 1.00 . A A . 21 HIS N 1 1 2 702 1 1 21 HIS ND1 N 6.886 -2.717 5.386 1.00 . A A . 21 HIS ND1 1 1 2 703 1 1 21 HIS NE2 N 7.982 -4.281 6.522 1.00 . A A . 21 HIS NE2 1 1 2 704 1 1 21 HIS O O 8.396 -3.065 0.953 1.00 . A A . 21 HIS O 1 1 2 705 1 1 22 ILE C C 9.215 -5.943 0.419 1.00 . A A . 22 ILE C 1 1 2 706 1 1 22 ILE CA C 8.494 -5.839 1.748 1.00 . A A . 22 ILE CA 1 1 2 707 1 1 22 ILE CB C 6.971 -5.935 1.606 1.00 . A A . 22 ILE CB 1 1 2 708 1 1 22 ILE CD1 C 6.535 -6.497 4.116 1.00 . A A . 22 ILE CD1 1 1 2 709 1 1 22 ILE CG1 C 6.226 -5.584 2.923 1.00 . A A . 22 ILE CG1 1 1 2 710 1 1 22 ILE CG2 C 6.587 -7.346 1.103 1.00 . A A . 22 ILE CG2 1 1 2 711 1 1 22 ILE H H 9.382 -4.861 3.344 1.00 . A A . 22 ILE H 1 1 2 712 1 1 22 ILE HA H 8.816 -6.677 2.349 1.00 . A A . 22 ILE HA 1 1 2 713 1 1 22 ILE HB H 6.628 -5.192 0.849 1.00 . A A . 22 ILE HB 1 1 2 714 1 1 22 ILE HD11 H 7.611 -6.448 4.385 1.00 . A A . 22 ILE HD11 1 1 2 715 1 1 22 ILE HD12 H 6.271 -7.551 3.890 1.00 . A A . 22 ILE HD12 1 1 2 716 1 1 22 ILE HD13 H 5.945 -6.174 5.000 1.00 . A A . 22 ILE HD13 1 1 2 717 1 1 22 ILE HG12 H 6.456 -4.533 3.203 1.00 . A A . 22 ILE HG12 1 1 2 718 1 1 22 ILE HG13 H 5.132 -5.638 2.720 1.00 . A A . 22 ILE HG13 1 1 2 719 1 1 22 ILE HG21 H 5.482 -7.443 1.056 1.00 . A A . 22 ILE HG21 1 1 2 720 1 1 22 ILE HG22 H 6.984 -8.121 1.791 1.00 . A A . 22 ILE HG22 1 1 2 721 1 1 22 ILE HG23 H 6.993 -7.534 0.089 1.00 . A A . 22 ILE HG23 1 1 2 722 1 1 22 ILE N N 8.973 -4.668 2.457 1.00 . A A . 22 ILE N 1 1 2 723 1 1 22 ILE O O 8.641 -5.723 -0.647 1.00 . A A . 22 ILE O 1 1 2 724 1 1 23 HIS C C 12.558 -7.072 -0.358 1.00 . A A . 23 HIS C 1 1 2 725 1 1 23 HIS CA C 11.400 -6.167 -0.655 1.00 . A A . 23 HIS CA 1 1 2 726 1 1 23 HIS CB C 11.899 -4.723 -0.930 1.00 . A A . 23 HIS CB 1 1 2 727 1 1 23 HIS CD2 C 12.325 -4.631 -3.487 1.00 . A A . 23 HIS CD2 1 1 2 728 1 1 23 HIS CE1 C 14.422 -4.209 -3.516 1.00 . A A . 23 HIS CE1 1 1 2 729 1 1 23 HIS CG C 12.711 -4.555 -2.186 1.00 . A A . 23 HIS CG 1 1 2 730 1 1 23 HIS H H 10.990 -6.443 1.339 1.00 . A A . 23 HIS H 1 1 2 731 1 1 23 HIS HA H 10.866 -6.565 -1.501 1.00 . A A . 23 HIS HA 1 1 2 732 1 1 23 HIS HB2 H 11.010 -4.060 -1.032 1.00 . A A . 23 HIS HB2 1 1 2 733 1 1 23 HIS HB3 H 12.486 -4.361 -0.056 1.00 . A A . 23 HIS HB3 1 1 2 734 1 1 23 HIS HD1 H 14.653 -4.164 -1.410 1.00 . A A . 23 HIS HD1 1 1 2 735 1 1 23 HIS HD2 H 11.347 -4.828 -3.906 1.00 . A A . 23 HIS HD2 1 1 2 736 1 1 23 HIS HE1 H 15.443 -4.004 -3.834 1.00 . A A . 23 HIS HE1 1 1 2 737 1 1 23 HIS N N 10.534 -6.226 0.485 1.00 . A A . 23 HIS N 1 1 2 738 1 1 23 HIS ND1 N 14.062 -4.280 -2.210 1.00 . A A . 23 HIS ND1 1 1 2 739 1 1 23 HIS NE2 N 13.402 -4.414 -4.327 1.00 . A A . 23 HIS NE2 1 1 2 740 1 1 23 HIS O O 12.819 -7.406 0.797 1.00 . A A . 23 HIS O 1 1 2 741 1 1 24 HIS C C 15.652 -7.555 -0.998 1.00 . A A . 24 HIS C 1 1 2 742 1 1 24 HIS CA C 14.398 -8.400 -1.315 1.00 . A A . 24 HIS CA 1 1 2 743 1 1 24 HIS CB C 14.647 -9.171 -2.634 1.00 . A A . 24 HIS CB 1 1 2 744 1 1 24 HIS CD2 C 16.325 -10.810 -1.494 1.00 . A A . 24 HIS CD2 1 1 2 745 1 1 24 HIS CE1 C 17.321 -11.583 -3.221 1.00 . A A . 24 HIS CE1 1 1 2 746 1 1 24 HIS CG C 15.770 -10.175 -2.563 1.00 . A A . 24 HIS CG 1 1 2 747 1 1 24 HIS H H 13.047 -7.214 -2.349 1.00 . A A . 24 HIS H 1 1 2 748 1 1 24 HIS HA H 14.203 -9.111 -0.523 1.00 . A A . 24 HIS HA 1 1 2 749 1 1 24 HIS HB2 H 13.720 -9.719 -2.907 1.00 . A A . 24 HIS HB2 1 1 2 750 1 1 24 HIS HB3 H 14.860 -8.444 -3.449 1.00 . A A . 24 HIS HB3 1 1 2 751 1 1 24 HIS HD1 H 16.229 -10.429 -4.625 1.00 . A A . 24 HIS HD1 1 1 2 752 1 1 24 HIS HD2 H 16.100 -10.720 -0.439 1.00 . A A . 24 HIS HD2 1 1 2 753 1 1 24 HIS HE1 H 17.977 -12.142 -3.887 1.00 . A A . 24 HIS HE1 1 1 2 754 1 1 24 HIS N N 13.274 -7.504 -1.421 1.00 . A A . 24 HIS N 1 1 2 755 1 1 24 HIS ND1 N 16.412 -10.683 -3.673 1.00 . A A . 24 HIS ND1 1 1 2 756 1 1 24 HIS NE2 N 17.305 -11.695 -1.907 1.00 . A A . 24 HIS NE2 1 1 2 757 1 1 24 HIS O O 16.075 -6.729 -1.813 1.00 . A A . 24 HIS O 1 1 2 758 1 1 25 NH2 HN1 H 15.856 -8.460 0.839 1.00 . A A . 25 NH2 HN1 1 1 2 759 1 1 25 NH2 HN2 H 17.057 -7.266 0.475 1.00 . A A . 25 NH2 HN2 1 1 2 760 1 1 25 NH2 N N 16.241 -7.781 0.215 1.00 . A A . 25 NH2 N 1 1 3 761 1 1 1 ACE C C -12.271 8.033 0.649 1.00 . A A . 1 ACE C 1 1 3 762 1 1 1 ACE CH3 C -11.066 8.306 -0.189 1.00 . A A . 1 ACE CH3 1 1 3 763 1 1 1 ACE H1 H -11.372 8.578 -1.223 1.00 . A A . 1 ACE H1 1 1 3 764 1 1 1 ACE H2 H -10.481 9.148 0.242 1.00 . A A . 1 ACE H2 1 1 3 765 1 1 1 ACE H3 H -10.410 7.409 -0.240 1.00 . A A . 1 ACE H3 1 1 3 766 1 1 1 ACE O O -13.163 8.873 0.747 1.00 . A A . 1 ACE O 1 1 3 767 1 1 2 PHE C C -14.648 6.185 1.482 1.00 . A A . 2 PHE C 1 1 3 768 1 1 2 PHE CA C -13.331 6.370 2.185 1.00 . A A . 2 PHE CA 1 1 3 769 1 1 2 PHE CB C -13.500 7.219 3.475 1.00 . A A . 2 PHE CB 1 1 3 770 1 1 2 PHE CD1 C -11.748 6.145 4.942 1.00 . A A . 2 PHE CD1 1 1 3 771 1 1 2 PHE CD2 C -11.399 8.428 4.211 1.00 . A A . 2 PHE CD2 1 1 3 772 1 1 2 PHE CE1 C -10.524 6.174 5.621 1.00 . A A . 2 PHE CE1 1 1 3 773 1 1 2 PHE CE2 C -10.174 8.459 4.890 1.00 . A A . 2 PHE CE2 1 1 3 774 1 1 2 PHE CG C -12.196 7.269 4.227 1.00 . A A . 2 PHE CG 1 1 3 775 1 1 2 PHE CZ C -9.736 7.331 5.595 1.00 . A A . 2 PHE CZ 1 1 3 776 1 1 2 PHE H H -11.556 6.182 1.144 1.00 . A A . 2 PHE H 1 1 3 777 1 1 2 PHE HA H -13.015 5.384 2.488 1.00 . A A . 2 PHE HA 1 1 3 778 1 1 2 PHE HB2 H -13.817 8.255 3.229 1.00 . A A . 2 PHE HB2 1 1 3 779 1 1 2 PHE HB3 H -14.258 6.763 4.148 1.00 . A A . 2 PHE HB3 1 1 3 780 1 1 2 PHE HD1 H -12.348 5.246 4.962 1.00 . A A . 2 PHE HD1 1 1 3 781 1 1 2 PHE HD2 H -11.727 9.298 3.662 1.00 . A A . 2 PHE HD2 1 1 3 782 1 1 2 PHE HE1 H -10.187 5.303 6.164 1.00 . A A . 2 PHE HE1 1 1 3 783 1 1 2 PHE HE2 H -9.568 9.352 4.869 1.00 . A A . 2 PHE HE2 1 1 3 784 1 1 2 PHE HZ H -8.792 7.354 6.119 1.00 . A A . 2 PHE HZ 1 1 3 785 1 1 2 PHE N N -12.302 6.829 1.274 1.00 . A A . 2 PHE N 1 1 3 786 1 1 2 PHE O O -15.701 6.575 1.985 1.00 . A A . 2 PHE O 1 1 3 787 1 1 3 GLU C C -15.922 3.767 -0.580 1.00 . A A . 3 GLU C 1 1 3 788 1 1 3 GLU CA C -15.744 5.264 -0.533 1.00 . A A . 3 GLU CA 1 1 3 789 1 1 3 GLU CB C -15.554 5.768 -1.985 1.00 . A A . 3 GLU CB 1 1 3 790 1 1 3 GLU CD C -15.078 7.691 -3.524 1.00 . A A . 3 GLU CD 1 1 3 791 1 1 3 GLU CG C -15.281 7.282 -2.066 1.00 . A A . 3 GLU CG 1 1 3 792 1 1 3 GLU H H -13.718 5.280 -0.105 1.00 . A A . 3 GLU H 1 1 3 793 1 1 3 GLU HA H -16.633 5.708 -0.109 1.00 . A A . 3 GLU HA 1 1 3 794 1 1 3 GLU HB2 H -14.698 5.230 -2.451 1.00 . A A . 3 GLU HB2 1 1 3 795 1 1 3 GLU HB3 H -16.468 5.539 -2.577 1.00 . A A . 3 GLU HB3 1 1 3 796 1 1 3 GLU HG2 H -16.139 7.843 -1.639 1.00 . A A . 3 GLU HG2 1 1 3 797 1 1 3 GLU HG3 H -14.370 7.535 -1.485 1.00 . A A . 3 GLU HG3 1 1 3 798 1 1 3 GLU N N -14.592 5.561 0.283 1.00 . A A . 3 GLU N 1 1 3 799 1 1 3 GLU O O -16.681 3.265 -1.408 1.00 . A A . 3 GLU O 1 1 3 800 1 1 3 GLU OE1 O -16.043 7.548 -4.321 1.00 . A A . 3 GLU OE1 1 1 3 801 1 1 3 GLU OE2 O -13.954 8.153 -3.859 1.00 . A A . 3 GLU OE2 1 1 3 802 1 1 4 ASP C C -14.431 1.092 -0.920 1.00 . A A . 4 ASP C 1 1 3 803 1 1 4 ASP CA C -15.106 1.576 0.337 1.00 . A A . 4 ASP CA 1 1 3 804 1 1 4 ASP CB C -16.440 0.825 0.591 1.00 . A A . 4 ASP CB 1 1 3 805 1 1 4 ASP CG C -17.058 1.304 1.905 1.00 . A A . 4 ASP CG 1 1 3 806 1 1 4 ASP H H -14.647 3.495 0.994 1.00 . A A . 4 ASP H 1 1 3 807 1 1 4 ASP HA H -14.439 1.334 1.152 1.00 . A A . 4 ASP HA 1 1 3 808 1 1 4 ASP HB2 H -17.151 1.008 -0.243 1.00 . A A . 4 ASP HB2 1 1 3 809 1 1 4 ASP HB3 H -16.256 -0.268 0.663 1.00 . A A . 4 ASP HB3 1 1 3 810 1 1 4 ASP N N -15.202 3.028 0.308 1.00 . A A . 4 ASP N 1 1 3 811 1 1 4 ASP O O -14.877 0.149 -1.573 1.00 . A A . 4 ASP O 1 1 3 812 1 1 4 ASP OD1 O -16.406 1.115 2.967 1.00 . A A . 4 ASP OD1 1 1 3 813 1 1 4 ASP OD2 O -18.185 1.865 1.863 1.00 . A A . 4 ASP OD2 1 1 3 814 1 1 5 LEU C C -11.400 0.684 -2.212 1.00 . A A . 5 LEU C 1 1 3 815 1 1 5 LEU CA C -12.581 1.588 -2.498 1.00 . A A . 5 LEU CA 1 1 3 816 1 1 5 LEU CB C -12.112 2.947 -3.105 1.00 . A A . 5 LEU CB 1 1 3 817 1 1 5 LEU CD1 C -10.717 3.839 -1.083 1.00 . A A . 5 LEU CD1 1 1 3 818 1 1 5 LEU CD2 C -11.529 5.407 -2.896 1.00 . A A . 5 LEU CD2 1 1 3 819 1 1 5 LEU CG C -11.828 4.112 -2.115 1.00 . A A . 5 LEU CG 1 1 3 820 1 1 5 LEU H H -12.978 2.512 -0.696 1.00 . A A . 5 LEU H 1 1 3 821 1 1 5 LEU HA H -13.231 1.092 -3.206 1.00 . A A . 5 LEU HA 1 1 3 822 1 1 5 LEU HB2 H -11.218 2.795 -3.747 1.00 . A A . 5 LEU HB2 1 1 3 823 1 1 5 LEU HB3 H -12.933 3.306 -3.769 1.00 . A A . 5 LEU HB3 1 1 3 824 1 1 5 LEU HD11 H -10.537 4.746 -0.467 1.00 . A A . 5 LEU HD11 1 1 3 825 1 1 5 LEU HD12 H -9.772 3.558 -1.586 1.00 . A A . 5 LEU HD12 1 1 3 826 1 1 5 LEU HD13 H -11.009 3.016 -0.401 1.00 . A A . 5 LEU HD13 1 1 3 827 1 1 5 LEU HD21 H -10.593 5.298 -3.482 1.00 . A A . 5 LEU HD21 1 1 3 828 1 1 5 LEU HD22 H -11.412 6.260 -2.196 1.00 . A A . 5 LEU HD22 1 1 3 829 1 1 5 LEU HD23 H -12.361 5.637 -3.594 1.00 . A A . 5 LEU HD23 1 1 3 830 1 1 5 LEU HG H -12.764 4.304 -1.542 1.00 . A A . 5 LEU HG 1 1 3 831 1 1 5 LEU N N -13.320 1.776 -1.275 1.00 . A A . 5 LEU N 1 1 3 832 1 1 5 LEU O O -11.011 0.560 -1.053 1.00 . A A . 5 LEU O 1 1 3 833 1 1 6 PRO C C -8.364 -0.078 -3.027 1.00 . A A . 6 PRO C 1 1 3 834 1 1 6 PRO CA C -9.652 -0.861 -2.994 1.00 . A A . 6 PRO CA 1 1 3 835 1 1 6 PRO CB C -9.721 -1.825 -4.188 1.00 . A A . 6 PRO CB 1 1 3 836 1 1 6 PRO CD C -11.330 -0.100 -4.564 1.00 . A A . 6 PRO CD 1 1 3 837 1 1 6 PRO CG C -10.327 -0.980 -5.313 1.00 . A A . 6 PRO CG 1 1 3 838 1 1 6 PRO HA H -9.726 -1.346 -2.036 1.00 . A A . 6 PRO HA 1 1 3 839 1 1 6 PRO HB2 H -8.745 -2.268 -4.466 1.00 . A A . 6 PRO HB2 1 1 3 840 1 1 6 PRO HB3 H -10.429 -2.647 -3.942 1.00 . A A . 6 PRO HB3 1 1 3 841 1 1 6 PRO HD2 H -11.418 0.898 -5.042 1.00 . A A . 6 PRO HD2 1 1 3 842 1 1 6 PRO HD3 H -12.322 -0.600 -4.518 1.00 . A A . 6 PRO HD3 1 1 3 843 1 1 6 PRO HG2 H -9.536 -0.342 -5.766 1.00 . A A . 6 PRO HG2 1 1 3 844 1 1 6 PRO HG3 H -10.805 -1.597 -6.098 1.00 . A A . 6 PRO HG3 1 1 3 845 1 1 6 PRO N N -10.798 0.016 -3.202 1.00 . A A . 6 PRO N 1 1 3 846 1 1 6 PRO O O -7.298 -0.686 -3.120 1.00 . A A . 6 PRO O 1 1 3 847 1 1 7 ASN C C -6.819 2.461 -1.608 1.00 . A A . 7 ASN C 1 1 3 848 1 1 7 ASN CA C -7.321 2.161 -2.995 1.00 . A A . 7 ASN CA 1 1 3 849 1 1 7 ASN CB C -7.661 3.496 -3.695 1.00 . A A . 7 ASN CB 1 1 3 850 1 1 7 ASN CG C -8.053 3.214 -5.153 1.00 . A A . 7 ASN CG 1 1 3 851 1 1 7 ASN H H -9.342 1.682 -2.803 1.00 . A A . 7 ASN H 1 1 3 852 1 1 7 ASN HA H -6.524 1.671 -3.536 1.00 . A A . 7 ASN HA 1 1 3 853 1 1 7 ASN HB2 H -8.486 4.001 -3.156 1.00 . A A . 7 ASN HB2 1 1 3 854 1 1 7 ASN HB3 H -6.775 4.166 -3.701 1.00 . A A . 7 ASN HB3 1 1 3 855 1 1 7 ASN HD21 H -9.897 4.086 -4.887 1.00 . A A . 7 ASN HD21 1 1 3 856 1 1 7 ASN HD22 H -9.604 3.469 -6.479 1.00 . A A . 7 ASN HD22 1 1 3 857 1 1 7 ASN N N -8.449 1.264 -2.929 1.00 . A A . 7 ASN N 1 1 3 858 1 1 7 ASN ND2 N -9.297 3.626 -5.541 1.00 . A A . 7 ASN ND2 1 1 3 859 1 1 7 ASN O O -5.898 3.256 -1.439 1.00 . A A . 7 ASN O 1 1 3 860 1 1 7 ASN OD1 O -7.261 2.642 -5.913 1.00 . A A . 7 ASN OD1 1 1 3 861 1 1 8 PHE C C -5.564 1.016 0.795 1.00 . A A . 8 PHE C 1 1 3 862 1 1 8 PHE CA C -6.867 1.772 0.774 1.00 . A A . 8 PHE CA 1 1 3 863 1 1 8 PHE CB C -7.789 1.039 1.787 1.00 . A A . 8 PHE CB 1 1 3 864 1 1 8 PHE CD1 C -9.270 3.068 2.213 1.00 . A A . 8 PHE CD1 1 1 3 865 1 1 8 PHE CD2 C -10.292 0.891 1.950 1.00 . A A . 8 PHE CD2 1 1 3 866 1 1 8 PHE CE1 C -10.534 3.632 2.436 1.00 . A A . 8 PHE CE1 1 1 3 867 1 1 8 PHE CE2 C -11.555 1.452 2.168 1.00 . A A . 8 PHE CE2 1 1 3 868 1 1 8 PHE CG C -9.136 1.690 1.959 1.00 . A A . 8 PHE CG 1 1 3 869 1 1 8 PHE CZ C -11.676 2.822 2.410 1.00 . A A . 8 PHE CZ 1 1 3 870 1 1 8 PHE H H -8.171 1.195 -0.746 1.00 . A A . 8 PHE H 1 1 3 871 1 1 8 PHE HA H -6.682 2.792 1.082 1.00 . A A . 8 PHE HA 1 1 3 872 1 1 8 PHE HB2 H -7.948 -0.012 1.459 1.00 . A A . 8 PHE HB2 1 1 3 873 1 1 8 PHE HB3 H -7.314 1.024 2.794 1.00 . A A . 8 PHE HB3 1 1 3 874 1 1 8 PHE HD1 H -8.398 3.703 2.257 1.00 . A A . 8 PHE HD1 1 1 3 875 1 1 8 PHE HD2 H -10.208 -0.172 1.776 1.00 . A A . 8 PHE HD2 1 1 3 876 1 1 8 PHE HE1 H -10.623 4.691 2.627 1.00 . A A . 8 PHE HE1 1 1 3 877 1 1 8 PHE HE2 H -12.433 0.823 2.156 1.00 . A A . 8 PHE HE2 1 1 3 878 1 1 8 PHE HZ H -12.653 3.249 2.582 1.00 . A A . 8 PHE HZ 1 1 3 879 1 1 8 PHE N N -7.383 1.781 -0.579 1.00 . A A . 8 PHE N 1 1 3 880 1 1 8 PHE O O -4.607 1.432 1.444 1.00 . A A . 8 PHE O 1 1 3 881 1 1 9 GLY C C -3.341 -0.480 -0.992 1.00 . A A . 9 GLY C 1 1 3 882 1 1 9 GLY CA C -4.367 -0.989 -0.021 1.00 . A A . 9 GLY CA 1 1 3 883 1 1 9 GLY H H -6.304 -0.414 -0.477 1.00 . A A . 9 GLY H 1 1 3 884 1 1 9 GLY HA2 H -3.915 -1.054 0.959 1.00 . A A . 9 GLY HA2 1 1 3 885 1 1 9 GLY HA3 H -4.727 -1.940 -0.385 1.00 . A A . 9 GLY HA3 1 1 3 886 1 1 9 GLY N N -5.513 -0.117 0.054 1.00 . A A . 9 GLY N 1 1 3 887 1 1 9 GLY O O -2.201 -0.933 -0.976 1.00 . A A . 9 GLY O 1 1 3 888 1 1 10 HIS C C -1.941 2.110 -2.096 1.00 . A A . 10 HIS C 1 1 3 889 1 1 10 HIS CA C -2.828 1.121 -2.809 1.00 . A A . 10 HIS CA 1 1 3 890 1 1 10 HIS CB C -3.612 1.853 -3.927 1.00 . A A . 10 HIS CB 1 1 3 891 1 1 10 HIS CD2 C -2.300 1.893 -6.168 1.00 . A A . 10 HIS CD2 1 1 3 892 1 1 10 HIS CE1 C -1.502 3.877 -6.119 1.00 . A A . 10 HIS CE1 1 1 3 893 1 1 10 HIS CG C -2.753 2.451 -5.013 1.00 . A A . 10 HIS CG 1 1 3 894 1 1 10 HIS H H -4.652 0.845 -1.858 1.00 . A A . 10 HIS H 1 1 3 895 1 1 10 HIS HA H -2.210 0.354 -3.254 1.00 . A A . 10 HIS HA 1 1 3 896 1 1 10 HIS HB2 H -4.289 1.116 -4.411 1.00 . A A . 10 HIS HB2 1 1 3 897 1 1 10 HIS HB3 H -4.249 2.650 -3.486 1.00 . A A . 10 HIS HB3 1 1 3 898 1 1 10 HIS HD1 H -2.376 4.405 -4.262 1.00 . A A . 10 HIS HD1 1 1 3 899 1 1 10 HIS HD2 H -2.470 0.901 -6.567 1.00 . A A . 10 HIS HD2 1 1 3 900 1 1 10 HIS HE1 H -0.973 4.798 -6.362 1.00 . A A . 10 HIS HE1 1 1 3 901 1 1 10 HIS N N -3.719 0.494 -1.857 1.00 . A A . 10 HIS N 1 1 3 902 1 1 10 HIS ND1 N -2.236 3.730 -4.988 1.00 . A A . 10 HIS ND1 1 1 3 903 1 1 10 HIS NE2 N -1.512 2.790 -6.866 1.00 . A A . 10 HIS NE2 1 1 3 904 1 1 10 HIS O O -0.807 2.341 -2.510 1.00 . A A . 10 HIS O 1 1 3 905 1 1 11 ILE C C -0.694 2.938 0.641 1.00 . A A . 11 ILE C 1 1 3 906 1 1 11 ILE CA C -1.756 3.660 -0.157 1.00 . A A . 11 ILE CA 1 1 3 907 1 1 11 ILE CB C -2.729 4.424 0.746 1.00 . A A . 11 ILE CB 1 1 3 908 1 1 11 ILE CD1 C -4.853 5.887 0.611 1.00 . A A . 11 ILE CD1 1 1 3 909 1 1 11 ILE CG1 C -3.607 5.369 -0.118 1.00 . A A . 11 ILE CG1 1 1 3 910 1 1 11 ILE CG2 C -1.989 5.219 1.850 1.00 . A A . 11 ILE CG2 1 1 3 911 1 1 11 ILE H H -3.353 2.433 -0.653 1.00 . A A . 11 ILE H 1 1 3 912 1 1 11 ILE HA H -1.259 4.366 -0.809 1.00 . A A . 11 ILE HA 1 1 3 913 1 1 11 ILE HB H -3.400 3.689 1.243 1.00 . A A . 11 ILE HB 1 1 3 914 1 1 11 ILE HD11 H -5.462 6.514 -0.074 1.00 . A A . 11 ILE HD11 1 1 3 915 1 1 11 ILE HD12 H -4.573 6.503 1.490 1.00 . A A . 11 ILE HD12 1 1 3 916 1 1 11 ILE HD13 H -5.478 5.036 0.957 1.00 . A A . 11 ILE HD13 1 1 3 917 1 1 11 ILE HG12 H -2.985 6.233 -0.443 1.00 . A A . 11 ILE HG12 1 1 3 918 1 1 11 ILE HG13 H -3.946 4.841 -1.035 1.00 . A A . 11 ILE HG13 1 1 3 919 1 1 11 ILE HG21 H -1.464 4.540 2.552 1.00 . A A . 11 ILE HG21 1 1 3 920 1 1 11 ILE HG22 H -2.709 5.817 2.447 1.00 . A A . 11 ILE HG22 1 1 3 921 1 1 11 ILE HG23 H -1.250 5.911 1.396 1.00 . A A . 11 ILE HG23 1 1 3 922 1 1 11 ILE N N -2.447 2.691 -0.980 1.00 . A A . 11 ILE N 1 1 3 923 1 1 11 ILE O O 0.388 3.477 0.858 1.00 . A A . 11 ILE O 1 1 3 924 1 1 12 GLN C C 1.148 0.469 0.995 1.00 . A A . 12 GLN C 1 1 3 925 1 1 12 GLN CA C -0.040 0.875 1.829 1.00 . A A . 12 GLN CA 1 1 3 926 1 1 12 GLN CB C -0.689 -0.416 2.387 1.00 . A A . 12 GLN CB 1 1 3 927 1 1 12 GLN CD C -1.575 0.726 4.457 1.00 . A A . 12 GLN CD 1 1 3 928 1 1 12 GLN CG C -1.931 -0.169 3.263 1.00 . A A . 12 GLN CG 1 1 3 929 1 1 12 GLN H H -1.841 1.246 0.860 1.00 . A A . 12 GLN H 1 1 3 930 1 1 12 GLN HA H 0.318 1.479 2.650 1.00 . A A . 12 GLN HA 1 1 3 931 1 1 12 GLN HB2 H -0.998 -1.069 1.540 1.00 . A A . 12 GLN HB2 1 1 3 932 1 1 12 GLN HB3 H 0.063 -0.976 2.987 1.00 . A A . 12 GLN HB3 1 1 3 933 1 1 12 GLN HE21 H -2.830 2.210 3.779 1.00 . A A . 12 GLN HE21 1 1 3 934 1 1 12 GLN HE22 H -1.997 2.576 5.253 1.00 . A A . 12 GLN HE22 1 1 3 935 1 1 12 GLN HG2 H -2.733 0.292 2.654 1.00 . A A . 12 GLN HG2 1 1 3 936 1 1 12 GLN HG3 H -2.306 -1.142 3.647 1.00 . A A . 12 GLN HG3 1 1 3 937 1 1 12 GLN N N -0.966 1.679 1.062 1.00 . A A . 12 GLN N 1 1 3 938 1 1 12 GLN NE2 N -2.190 1.948 4.500 1.00 . A A . 12 GLN NE2 1 1 3 939 1 1 12 GLN O O 2.279 0.501 1.473 1.00 . A A . 12 GLN O 1 1 3 940 1 1 12 GLN OE1 O -0.772 0.340 5.315 1.00 . A A . 12 GLN OE1 1 1 3 941 1 1 13 VAL C C 2.804 0.799 -1.641 1.00 . A A . 13 VAL C 1 1 3 942 1 1 13 VAL CA C 1.907 -0.339 -1.235 1.00 . A A . 13 VAL CA 1 1 3 943 1 1 13 VAL CB C 1.268 -1.022 -2.445 1.00 . A A . 13 VAL CB 1 1 3 944 1 1 13 VAL CG1 C 2.277 -1.298 -3.584 1.00 . A A . 13 VAL CG1 1 1 3 945 1 1 13 VAL CG2 C 0.644 -2.348 -1.957 1.00 . A A . 13 VAL CG2 1 1 3 946 1 1 13 VAL H H -0.027 0.119 -0.648 1.00 . A A . 13 VAL H 1 1 3 947 1 1 13 VAL HA H 2.531 -1.042 -0.721 1.00 . A A . 13 VAL HA 1 1 3 948 1 1 13 VAL HB H 0.458 -0.371 -2.846 1.00 . A A . 13 VAL HB 1 1 3 949 1 1 13 VAL HG11 H 2.644 -0.353 -4.035 1.00 . A A . 13 VAL HG11 1 1 3 950 1 1 13 VAL HG12 H 1.786 -1.889 -4.386 1.00 . A A . 13 VAL HG12 1 1 3 951 1 1 13 VAL HG13 H 3.144 -1.876 -3.201 1.00 . A A . 13 VAL HG13 1 1 3 952 1 1 13 VAL HG21 H 1.439 -3.028 -1.587 1.00 . A A . 13 VAL HG21 1 1 3 953 1 1 13 VAL HG22 H 0.112 -2.848 -2.794 1.00 . A A . 13 VAL HG22 1 1 3 954 1 1 13 VAL HG23 H -0.079 -2.180 -1.134 1.00 . A A . 13 VAL HG23 1 1 3 955 1 1 13 VAL N N 0.904 0.109 -0.290 1.00 . A A . 13 VAL N 1 1 3 956 1 1 13 VAL O O 3.981 0.596 -1.926 1.00 . A A . 13 VAL O 1 1 3 957 1 1 14 LYS C C 4.053 3.572 -0.975 1.00 . A A . 14 LYS C 1 1 3 958 1 1 14 LYS CA C 2.964 3.248 -1.972 1.00 . A A . 14 LYS CA 1 1 3 959 1 1 14 LYS CB C 1.984 4.445 -2.044 1.00 . A A . 14 LYS CB 1 1 3 960 1 1 14 LYS CD C 2.694 5.370 -4.315 1.00 . A A . 14 LYS CD 1 1 3 961 1 1 14 LYS CE C 3.091 6.597 -5.148 1.00 . A A . 14 LYS CE 1 1 3 962 1 1 14 LYS CG C 2.512 5.662 -2.817 1.00 . A A . 14 LYS CG 1 1 3 963 1 1 14 LYS H H 1.311 2.136 -1.383 1.00 . A A . 14 LYS H 1 1 3 964 1 1 14 LYS HA H 3.420 3.075 -2.935 1.00 . A A . 14 LYS HA 1 1 3 965 1 1 14 LYS HB2 H 1.058 4.106 -2.560 1.00 . A A . 14 LYS HB2 1 1 3 966 1 1 14 LYS HB3 H 1.689 4.757 -1.018 1.00 . A A . 14 LYS HB3 1 1 3 967 1 1 14 LYS HD2 H 3.456 4.572 -4.446 1.00 . A A . 14 LYS HD2 1 1 3 968 1 1 14 LYS HD3 H 1.728 4.970 -4.700 1.00 . A A . 14 LYS HD3 1 1 3 969 1 1 14 LYS HE2 H 3.159 6.326 -6.222 1.00 . A A . 14 LYS HE2 1 1 3 970 1 1 14 LYS HE3 H 2.348 7.411 -5.020 1.00 . A A . 14 LYS HE3 1 1 3 971 1 1 14 LYS HG2 H 1.772 6.488 -2.711 1.00 . A A . 14 LYS HG2 1 1 3 972 1 1 14 LYS HG3 H 3.470 6.004 -2.372 1.00 . A A . 14 LYS HG3 1 1 3 973 1 1 14 LYS HZ1 H 4.657 7.948 -5.315 1.00 . A A . 14 LYS HZ1 1 1 3 974 1 1 14 LYS HZ2 H 5.135 6.383 -4.863 1.00 . A A . 14 LYS HZ2 1 1 3 975 1 1 14 LYS HZ3 H 4.378 7.400 -3.732 1.00 . A A . 14 LYS HZ3 1 1 3 976 1 1 14 LYS N N 2.267 2.034 -1.626 1.00 . A A . 14 LYS N 1 1 3 977 1 1 14 LYS NZ N 4.414 7.121 -4.734 1.00 . A A . 14 LYS NZ 1 1 3 978 1 1 14 LYS O O 5.119 4.058 -1.350 1.00 . A A . 14 LYS O 1 1 3 979 1 1 15 VAL C C 5.818 2.468 1.380 1.00 . A A . 15 VAL C 1 1 3 980 1 1 15 VAL CA C 4.717 3.502 1.423 1.00 . A A . 15 VAL CA 1 1 3 981 1 1 15 VAL CB C 3.994 3.461 2.770 1.00 . A A . 15 VAL CB 1 1 3 982 1 1 15 VAL CG1 C 4.976 3.548 3.960 1.00 . A A . 15 VAL CG1 1 1 3 983 1 1 15 VAL CG2 C 2.993 4.635 2.816 1.00 . A A . 15 VAL CG2 1 1 3 984 1 1 15 VAL H H 2.929 2.875 0.588 1.00 . A A . 15 VAL H 1 1 3 985 1 1 15 VAL HA H 5.166 4.478 1.294 1.00 . A A . 15 VAL HA 1 1 3 986 1 1 15 VAL HB H 3.424 2.509 2.857 1.00 . A A . 15 VAL HB 1 1 3 987 1 1 15 VAL HG11 H 5.618 2.645 4.021 1.00 . A A . 15 VAL HG11 1 1 3 988 1 1 15 VAL HG12 H 4.408 3.626 4.911 1.00 . A A . 15 VAL HG12 1 1 3 989 1 1 15 VAL HG13 H 5.622 4.446 3.862 1.00 . A A . 15 VAL HG13 1 1 3 990 1 1 15 VAL HG21 H 2.265 4.582 1.984 1.00 . A A . 15 VAL HG21 1 1 3 991 1 1 15 VAL HG22 H 3.534 5.602 2.747 1.00 . A A . 15 VAL HG22 1 1 3 992 1 1 15 VAL HG23 H 2.429 4.615 3.773 1.00 . A A . 15 VAL HG23 1 1 3 993 1 1 15 VAL N N 3.802 3.278 0.324 1.00 . A A . 15 VAL N 1 1 3 994 1 1 15 VAL O O 6.969 2.776 1.683 1.00 . A A . 15 VAL O 1 1 3 995 1 1 16 PHE C C 7.380 0.264 -0.233 1.00 . A A . 16 PHE C 1 1 3 996 1 1 16 PHE CA C 6.430 0.112 0.930 1.00 . A A . 16 PHE CA 1 1 3 997 1 1 16 PHE CB C 5.737 -1.269 0.771 1.00 . A A . 16 PHE CB 1 1 3 998 1 1 16 PHE CD1 C 4.828 -1.099 3.174 1.00 . A A . 16 PHE CD1 1 1 3 999 1 1 16 PHE CD2 C 3.631 -2.405 1.526 1.00 . A A . 16 PHE CD2 1 1 3 1000 1 1 16 PHE CE1 C 3.847 -1.404 4.126 1.00 . A A . 16 PHE CE1 1 1 3 1001 1 1 16 PHE CE2 C 2.651 -2.713 2.476 1.00 . A A . 16 PHE CE2 1 1 3 1002 1 1 16 PHE CG C 4.724 -1.579 1.852 1.00 . A A . 16 PHE CG 1 1 3 1003 1 1 16 PHE CZ C 2.756 -2.207 3.777 1.00 . A A . 16 PHE CZ 1 1 3 1004 1 1 16 PHE H H 4.557 0.989 0.712 1.00 . A A . 16 PHE H 1 1 3 1005 1 1 16 PHE HA H 7.012 0.127 1.842 1.00 . A A . 16 PHE HA 1 1 3 1006 1 1 16 PHE HB2 H 5.209 -1.306 -0.208 1.00 . A A . 16 PHE HB2 1 1 3 1007 1 1 16 PHE HB3 H 6.496 -2.081 0.795 1.00 . A A . 16 PHE HB3 1 1 3 1008 1 1 16 PHE HD1 H 5.660 -0.481 3.477 1.00 . A A . 16 PHE HD1 1 1 3 1009 1 1 16 PHE HD2 H 3.537 -2.796 0.524 1.00 . A A . 16 PHE HD2 1 1 3 1010 1 1 16 PHE HE1 H 3.933 -1.019 5.132 1.00 . A A . 16 PHE HE1 1 1 3 1011 1 1 16 PHE HE2 H 1.811 -3.335 2.204 1.00 . A A . 16 PHE HE2 1 1 3 1012 1 1 16 PHE HZ H 1.998 -2.440 4.510 1.00 . A A . 16 PHE HZ 1 1 3 1013 1 1 16 PHE N N 5.492 1.216 0.976 1.00 . A A . 16 PHE N 1 1 3 1014 1 1 16 PHE O O 8.530 -0.165 -0.160 1.00 . A A . 16 PHE O 1 1 3 1015 1 1 17 ASN C C 8.588 2.262 -2.385 1.00 . A A . 17 ASN C 1 1 3 1016 1 1 17 ASN CA C 7.636 1.100 -2.560 1.00 . A A . 17 ASN CA 1 1 3 1017 1 1 17 ASN CB C 6.651 1.388 -3.728 1.00 . A A . 17 ASN CB 1 1 3 1018 1 1 17 ASN CG C 7.303 1.308 -5.119 1.00 . A A . 17 ASN CG 1 1 3 1019 1 1 17 ASN H H 5.971 1.242 -1.345 1.00 . A A . 17 ASN H 1 1 3 1020 1 1 17 ASN HA H 8.204 0.201 -2.761 1.00 . A A . 17 ASN HA 1 1 3 1021 1 1 17 ASN HB2 H 5.850 0.616 -3.699 1.00 . A A . 17 ASN HB2 1 1 3 1022 1 1 17 ASN HB3 H 6.173 2.381 -3.587 1.00 . A A . 17 ASN HB3 1 1 3 1023 1 1 17 ASN HD21 H 5.591 2.074 -5.967 1.00 . A A . 17 ASN HD21 1 1 3 1024 1 1 17 ASN HD22 H 6.870 1.730 -7.086 1.00 . A A . 17 ASN HD22 1 1 3 1025 1 1 17 ASN N N 6.905 0.895 -1.332 1.00 . A A . 17 ASN N 1 1 3 1026 1 1 17 ASN ND2 N 6.520 1.750 -6.150 1.00 . A A . 17 ASN ND2 1 1 3 1027 1 1 17 ASN O O 9.665 2.281 -2.976 1.00 . A A . 17 ASN O 1 1 3 1028 1 1 17 ASN OD1 O 8.443 0.860 -5.283 1.00 . A A . 17 ASN OD1 1 1 3 1029 1 1 18 HIS C C 10.122 4.021 -0.288 1.00 . A A . 18 HIS C 1 1 3 1030 1 1 18 HIS CA C 9.016 4.411 -1.236 1.00 . A A . 18 HIS CA 1 1 3 1031 1 1 18 HIS CB C 8.163 5.534 -0.594 1.00 . A A . 18 HIS CB 1 1 3 1032 1 1 18 HIS CD2 C 8.997 7.932 -1.132 1.00 . A A . 18 HIS CD2 1 1 3 1033 1 1 18 HIS CE1 C 10.183 8.335 0.602 1.00 . A A . 18 HIS CE1 1 1 3 1034 1 1 18 HIS CG C 8.902 6.825 -0.346 1.00 . A A . 18 HIS CG 1 1 3 1035 1 1 18 HIS H H 7.331 3.213 -1.072 1.00 . A A . 18 HIS H 1 1 3 1036 1 1 18 HIS HA H 9.453 4.775 -2.155 1.00 . A A . 18 HIS HA 1 1 3 1037 1 1 18 HIS HB2 H 7.326 5.765 -1.288 1.00 . A A . 18 HIS HB2 1 1 3 1038 1 1 18 HIS HB3 H 7.712 5.176 0.358 1.00 . A A . 18 HIS HB3 1 1 3 1039 1 1 18 HIS HD1 H 9.817 6.472 1.542 1.00 . A A . 18 HIS HD1 1 1 3 1040 1 1 18 HIS HD2 H 8.551 8.132 -2.098 1.00 . A A . 18 HIS HD2 1 1 3 1041 1 1 18 HIS HE1 H 10.837 8.805 1.335 1.00 . A A . 18 HIS HE1 1 1 3 1042 1 1 18 HIS N N 8.209 3.251 -1.543 1.00 . A A . 18 HIS N 1 1 3 1043 1 1 18 HIS ND1 N 9.669 7.091 0.769 1.00 . A A . 18 HIS ND1 1 1 3 1044 1 1 18 HIS NE2 N 9.804 8.885 -0.536 1.00 . A A . 18 HIS NE2 1 1 3 1045 1 1 18 HIS O O 11.250 4.496 -0.410 1.00 . A A . 18 HIS O 1 1 3 1046 1 1 19 GLY C C 11.701 1.658 1.185 1.00 . A A . 19 GLY C 1 1 3 1047 1 1 19 GLY CA C 10.717 2.670 1.700 1.00 . A A . 19 GLY CA 1 1 3 1048 1 1 19 GLY H H 8.891 2.733 0.727 1.00 . A A . 19 GLY H 1 1 3 1049 1 1 19 GLY HA2 H 11.263 3.526 2.072 1.00 . A A . 19 GLY HA2 1 1 3 1050 1 1 19 GLY HA3 H 10.113 2.192 2.456 1.00 . A A . 19 GLY HA3 1 1 3 1051 1 1 19 GLY N N 9.809 3.118 0.672 1.00 . A A . 19 GLY N 1 1 3 1052 1 1 19 GLY O O 12.694 1.370 1.851 1.00 . A A . 19 GLY O 1 1 3 1053 1 1 20 GLU C C 13.122 1.115 -1.659 1.00 . A A . 20 GLU C 1 1 3 1054 1 1 20 GLU CA C 12.355 0.225 -0.717 1.00 . A A . 20 GLU CA 1 1 3 1055 1 1 20 GLU CB C 11.612 -0.913 -1.461 1.00 . A A . 20 GLU CB 1 1 3 1056 1 1 20 GLU CD C 11.709 -3.005 -2.838 1.00 . A A . 20 GLU CD 1 1 3 1057 1 1 20 GLU CG C 12.545 -1.928 -2.149 1.00 . A A . 20 GLU CG 1 1 3 1058 1 1 20 GLU H H 10.622 1.326 -0.533 1.00 . A A . 20 GLU H 1 1 3 1059 1 1 20 GLU HA H 13.042 -0.212 -0.009 1.00 . A A . 20 GLU HA 1 1 3 1060 1 1 20 GLU HB2 H 11.006 -1.460 -0.704 1.00 . A A . 20 GLU HB2 1 1 3 1061 1 1 20 GLU HB3 H 10.899 -0.487 -2.198 1.00 . A A . 20 GLU HB3 1 1 3 1062 1 1 20 GLU HG2 H 13.179 -1.413 -2.901 1.00 . A A . 20 GLU HG2 1 1 3 1063 1 1 20 GLU HG3 H 13.209 -2.402 -1.395 1.00 . A A . 20 GLU HG3 1 1 3 1064 1 1 20 GLU N N 11.449 1.101 -0.024 1.00 . A A . 20 GLU N 1 1 3 1065 1 1 20 GLU O O 14.193 1.607 -1.305 1.00 . A A . 20 GLU O 1 1 3 1066 1 1 20 GLU OE1 O 10.982 -3.743 -2.120 1.00 . A A . 20 GLU OE1 1 1 3 1067 1 1 20 GLU OE2 O 11.784 -3.105 -4.093 1.00 . A A . 20 GLU OE2 1 1 3 1068 1 1 21 HIS C C 14.447 1.878 -4.322 1.00 . A A . 21 HIS C 1 1 3 1069 1 1 21 HIS CA C 13.047 2.256 -3.892 1.00 . A A . 21 HIS CA 1 1 3 1070 1 1 21 HIS CB C 12.894 3.750 -3.490 1.00 . A A . 21 HIS CB 1 1 3 1071 1 1 21 HIS CD2 C 12.890 4.737 -5.907 1.00 . A A . 21 HIS CD2 1 1 3 1072 1 1 21 HIS CE1 C 13.911 6.584 -5.554 1.00 . A A . 21 HIS CE1 1 1 3 1073 1 1 21 HIS CG C 13.191 4.753 -4.579 1.00 . A A . 21 HIS CG 1 1 3 1074 1 1 21 HIS H H 11.687 0.925 -3.098 1.00 . A A . 21 HIS H 1 1 3 1075 1 1 21 HIS HA H 12.403 2.081 -4.740 1.00 . A A . 21 HIS HA 1 1 3 1076 1 1 21 HIS HB2 H 11.843 3.922 -3.171 1.00 . A A . 21 HIS HB2 1 1 3 1077 1 1 21 HIS HB3 H 13.538 3.958 -2.609 1.00 . A A . 21 HIS HB3 1 1 3 1078 1 1 21 HIS HD1 H 14.191 6.273 -3.477 1.00 . A A . 21 HIS HD1 1 1 3 1079 1 1 21 HIS HD2 H 12.372 3.990 -6.494 1.00 . A A . 21 HIS HD2 1 1 3 1080 1 1 21 HIS HE1 H 14.381 7.558 -5.677 1.00 . A A . 21 HIS HE1 1 1 3 1081 1 1 21 HIS N N 12.555 1.359 -2.870 1.00 . A A . 21 HIS N 1 1 3 1082 1 1 21 HIS ND1 N 13.843 5.948 -4.358 1.00 . A A . 21 HIS ND1 1 1 3 1083 1 1 21 HIS NE2 N 13.347 5.888 -6.523 1.00 . A A . 21 HIS NE2 1 1 3 1084 1 1 21 HIS O O 14.700 0.728 -4.678 1.00 . A A . 21 HIS O 1 1 3 1085 1 1 22 ILE C C 17.370 2.628 -3.143 1.00 . A A . 22 ILE C 1 1 3 1086 1 1 22 ILE CA C 16.792 2.655 -4.522 1.00 . A A . 22 ILE CA 1 1 3 1087 1 1 22 ILE CB C 17.404 3.741 -5.406 1.00 . A A . 22 ILE CB 1 1 3 1088 1 1 22 ILE CD1 C 17.112 4.935 -7.683 1.00 . A A . 22 ILE CD1 1 1 3 1089 1 1 22 ILE CG1 C 16.660 3.793 -6.768 1.00 . A A . 22 ILE CG1 1 1 3 1090 1 1 22 ILE CG2 C 18.916 3.464 -5.585 1.00 . A A . 22 ILE CG2 1 1 3 1091 1 1 22 ILE H H 15.138 3.779 -4.013 1.00 . A A . 22 ILE H 1 1 3 1092 1 1 22 ILE HA H 16.964 1.699 -4.969 1.00 . A A . 22 ILE HA 1 1 3 1093 1 1 22 ILE HB H 17.278 4.740 -4.930 1.00 . A A . 22 ILE HB 1 1 3 1094 1 1 22 ILE HD11 H 17.002 5.911 -7.164 1.00 . A A . 22 ILE HD11 1 1 3 1095 1 1 22 ILE HD12 H 16.491 4.954 -8.604 1.00 . A A . 22 ILE HD12 1 1 3 1096 1 1 22 ILE HD13 H 18.173 4.809 -7.983 1.00 . A A . 22 ILE HD13 1 1 3 1097 1 1 22 ILE HG12 H 16.802 2.823 -7.293 1.00 . A A . 22 ILE HG12 1 1 3 1098 1 1 22 ILE HG13 H 15.570 3.924 -6.586 1.00 . A A . 22 ILE HG13 1 1 3 1099 1 1 22 ILE HG21 H 19.385 4.245 -6.218 1.00 . A A . 22 ILE HG21 1 1 3 1100 1 1 22 ILE HG22 H 19.068 2.477 -6.071 1.00 . A A . 22 ILE HG22 1 1 3 1101 1 1 22 ILE HG23 H 19.442 3.463 -4.609 1.00 . A A . 22 ILE HG23 1 1 3 1102 1 1 22 ILE N N 15.386 2.851 -4.278 1.00 . A A . 22 ILE N 1 1 3 1103 1 1 22 ILE O O 17.689 1.573 -2.597 1.00 . A A . 22 ILE O 1 1 3 1104 1 1 23 HIS C C 16.487 4.142 -0.429 1.00 . A A . 23 HIS C 1 1 3 1105 1 1 23 HIS CA C 17.788 4.070 -1.177 1.00 . A A . 23 HIS CA 1 1 3 1106 1 1 23 HIS CB C 18.601 5.373 -0.982 1.00 . A A . 23 HIS CB 1 1 3 1107 1 1 23 HIS CD2 C 20.323 5.091 0.946 1.00 . A A . 23 HIS CD2 1 1 3 1108 1 1 23 HIS CE1 C 19.327 6.147 2.516 1.00 . A A . 23 HIS CE1 1 1 3 1109 1 1 23 HIS CG C 19.161 5.554 0.409 1.00 . A A . 23 HIS CG 1 1 3 1110 1 1 23 HIS H H 17.218 4.623 -3.081 1.00 . A A . 23 HIS H 1 1 3 1111 1 1 23 HIS HA H 18.365 3.233 -0.835 1.00 . A A . 23 HIS HA 1 1 3 1112 1 1 23 HIS HB2 H 19.467 5.342 -1.681 1.00 . A A . 23 HIS HB2 1 1 3 1113 1 1 23 HIS HB3 H 17.983 6.256 -1.258 1.00 . A A . 23 HIS HB3 1 1 3 1114 1 1 23 HIS HD1 H 17.634 6.685 1.365 1.00 . A A . 23 HIS HD1 1 1 3 1115 1 1 23 HIS HD2 H 21.111 4.502 0.493 1.00 . A A . 23 HIS HD2 1 1 3 1116 1 1 23 HIS HE1 H 19.067 6.590 3.476 1.00 . A A . 23 HIS HE1 1 1 3 1117 1 1 23 HIS N N 17.454 3.829 -2.547 1.00 . A A . 23 HIS N 1 1 3 1118 1 1 23 HIS ND1 N 18.525 6.234 1.426 1.00 . A A . 23 HIS ND1 1 1 3 1119 1 1 23 HIS NE2 N 20.429 5.465 2.274 1.00 . A A . 23 HIS NE2 1 1 3 1120 1 1 23 HIS O O 15.465 4.543 -0.984 1.00 . A A . 23 HIS O 1 1 3 1121 1 1 24 HIS C C 14.846 5.069 2.070 1.00 . A A . 24 HIS C 1 1 3 1122 1 1 24 HIS CA C 15.323 3.649 1.685 1.00 . A A . 24 HIS CA 1 1 3 1123 1 1 24 HIS CB C 15.572 2.808 2.961 1.00 . A A . 24 HIS CB 1 1 3 1124 1 1 24 HIS CD2 C 18.074 2.590 3.604 1.00 . A A . 24 HIS CD2 1 1 3 1125 1 1 24 HIS CE1 C 18.247 4.131 5.076 1.00 . A A . 24 HIS CE1 1 1 3 1126 1 1 24 HIS CG C 16.837 3.149 3.708 1.00 . A A . 24 HIS CG 1 1 3 1127 1 1 24 HIS H H 17.345 3.420 1.290 1.00 . A A . 24 HIS H 1 1 3 1128 1 1 24 HIS HA H 14.551 3.154 1.110 1.00 . A A . 24 HIS HA 1 1 3 1129 1 1 24 HIS HB2 H 14.697 2.871 3.642 1.00 . A A . 24 HIS HB2 1 1 3 1130 1 1 24 HIS HB3 H 15.670 1.746 2.647 1.00 . A A . 24 HIS HB3 1 1 3 1131 1 1 24 HIS HD1 H 16.223 4.751 4.965 1.00 . A A . 24 HIS HD1 1 1 3 1132 1 1 24 HIS HD2 H 18.413 1.782 2.969 1.00 . A A . 24 HIS HD2 1 1 3 1133 1 1 24 HIS HE1 H 18.627 4.819 5.829 1.00 . A A . 24 HIS HE1 1 1 3 1134 1 1 24 HIS N N 16.500 3.727 0.857 1.00 . A A . 24 HIS N 1 1 3 1135 1 1 24 HIS ND1 N 16.956 4.141 4.659 1.00 . A A . 24 HIS ND1 1 1 3 1136 1 1 24 HIS NE2 N 18.963 3.207 4.466 1.00 . A A . 24 HIS NE2 1 1 3 1137 1 1 24 HIS O O 15.614 5.887 2.587 1.00 . A A . 24 HIS O 1 1 3 1138 1 1 25 NH2 HN1 H 12.958 4.663 1.357 1.00 . A A . 25 NH2 HN1 1 1 3 1139 1 1 25 NH2 HN2 H 13.165 6.256 2.005 1.00 . A A . 25 NH2 HN2 1 1 3 1140 1 1 25 NH2 N N 13.538 5.354 1.788 1.00 . A A . 25 NH2 N 1 1 4 1141 1 1 1 ACE C C -17.578 7.826 -4.325 1.00 . A A . 1 ACE C 1 1 4 1142 1 1 1 ACE CH3 C -18.057 8.778 -5.371 1.00 . A A . 1 ACE CH3 1 1 4 1143 1 1 1 ACE H1 H -17.787 9.822 -5.101 1.00 . A A . 1 ACE H1 1 1 4 1144 1 1 1 ACE H2 H -17.595 8.536 -6.353 1.00 . A A . 1 ACE H2 1 1 4 1145 1 1 1 ACE H3 H -19.163 8.715 -5.474 1.00 . A A . 1 ACE H3 1 1 4 1146 1 1 1 ACE O O -16.921 8.225 -3.364 1.00 . A A . 1 ACE O 1 1 4 1147 1 1 2 PHE C C -16.165 4.975 -4.076 1.00 . A A . 2 PHE C 1 1 4 1148 1 1 2 PHE CA C -17.516 5.460 -3.617 1.00 . A A . 2 PHE CA 1 1 4 1149 1 1 2 PHE CB C -18.564 4.306 -3.618 1.00 . A A . 2 PHE CB 1 1 4 1150 1 1 2 PHE CD1 C -18.315 3.419 -1.260 1.00 . A A . 2 PHE CD1 1 1 4 1151 1 1 2 PHE CD2 C -17.748 1.961 -3.109 1.00 . A A . 2 PHE CD2 1 1 4 1152 1 1 2 PHE CE1 C -17.961 2.408 -0.355 1.00 . A A . 2 PHE CE1 1 1 4 1153 1 1 2 PHE CE2 C -17.386 0.953 -2.207 1.00 . A A . 2 PHE CE2 1 1 4 1154 1 1 2 PHE CG C -18.210 3.207 -2.645 1.00 . A A . 2 PHE CG 1 1 4 1155 1 1 2 PHE CZ C -17.495 1.176 -0.830 1.00 . A A . 2 PHE CZ 1 1 4 1156 1 1 2 PHE H H -18.438 6.240 -5.300 1.00 . A A . 2 PHE H 1 1 4 1157 1 1 2 PHE HA H -17.424 5.858 -2.615 1.00 . A A . 2 PHE HA 1 1 4 1158 1 1 2 PHE HB2 H -19.550 4.716 -3.307 1.00 . A A . 2 PHE HB2 1 1 4 1159 1 1 2 PHE HB3 H -18.683 3.874 -4.634 1.00 . A A . 2 PHE HB3 1 1 4 1160 1 1 2 PHE HD1 H -18.667 4.369 -0.886 1.00 . A A . 2 PHE HD1 1 1 4 1161 1 1 2 PHE HD2 H -17.654 1.785 -4.170 1.00 . A A . 2 PHE HD2 1 1 4 1162 1 1 2 PHE HE1 H -18.045 2.583 0.707 1.00 . A A . 2 PHE HE1 1 1 4 1163 1 1 2 PHE HE2 H -17.024 0.005 -2.575 1.00 . A A . 2 PHE HE2 1 1 4 1164 1 1 2 PHE HZ H -17.218 0.398 -0.133 1.00 . A A . 2 PHE HZ 1 1 4 1165 1 1 2 PHE N N -17.905 6.526 -4.508 1.00 . A A . 2 PHE N 1 1 4 1166 1 1 2 PHE O O -15.162 5.228 -3.410 1.00 . A A . 2 PHE O 1 1 4 1167 1 1 3 GLU C C -14.662 2.363 -5.115 1.00 . A A . 3 GLU C 1 1 4 1168 1 1 3 GLU CA C -14.997 3.637 -5.851 1.00 . A A . 3 GLU CA 1 1 4 1169 1 1 3 GLU CB C -13.755 4.543 -6.047 1.00 . A A . 3 GLU CB 1 1 4 1170 1 1 3 GLU CD C -11.598 4.950 -7.283 1.00 . A A . 3 GLU CD 1 1 4 1171 1 1 3 GLU CG C -12.726 3.952 -7.026 1.00 . A A . 3 GLU CG 1 1 4 1172 1 1 3 GLU H H -17.013 4.113 -5.707 1.00 . A A . 3 GLU H 1 1 4 1173 1 1 3 GLU HA H -15.322 3.367 -6.846 1.00 . A A . 3 GLU HA 1 1 4 1174 1 1 3 GLU HB2 H -14.114 5.516 -6.452 1.00 . A A . 3 GLU HB2 1 1 4 1175 1 1 3 GLU HB3 H -13.269 4.742 -5.068 1.00 . A A . 3 GLU HB3 1 1 4 1176 1 1 3 GLU HG2 H -12.311 3.013 -6.606 1.00 . A A . 3 GLU HG2 1 1 4 1177 1 1 3 GLU HG3 H -13.226 3.716 -7.990 1.00 . A A . 3 GLU HG3 1 1 4 1178 1 1 3 GLU N N -16.148 4.265 -5.233 1.00 . A A . 3 GLU N 1 1 4 1179 1 1 3 GLU O O -14.364 2.377 -3.922 1.00 . A A . 3 GLU O 1 1 4 1180 1 1 3 GLU OE1 O -11.900 6.087 -7.734 1.00 . A A . 3 GLU OE1 1 1 4 1181 1 1 3 GLU OE2 O -10.416 4.585 -7.044 1.00 . A A . 3 GLU OE2 1 1 4 1182 1 1 4 ASP C C -13.272 -0.646 -5.277 1.00 . A A . 4 ASP C 1 1 4 1183 1 1 4 ASP CA C -14.681 -0.106 -5.240 1.00 . A A . 4 ASP CA 1 1 4 1184 1 1 4 ASP CB C -15.600 -1.116 -5.979 1.00 . A A . 4 ASP CB 1 1 4 1185 1 1 4 ASP CG C -17.062 -0.663 -5.906 1.00 . A A . 4 ASP CG 1 1 4 1186 1 1 4 ASP H H -14.937 1.218 -6.806 1.00 . A A . 4 ASP H 1 1 4 1187 1 1 4 ASP HA H -14.991 -0.047 -4.205 1.00 . A A . 4 ASP HA 1 1 4 1188 1 1 4 ASP HB2 H -15.300 -1.204 -7.045 1.00 . A A . 4 ASP HB2 1 1 4 1189 1 1 4 ASP HB3 H -15.522 -2.119 -5.508 1.00 . A A . 4 ASP HB3 1 1 4 1190 1 1 4 ASP N N -14.738 1.213 -5.829 1.00 . A A . 4 ASP N 1 1 4 1191 1 1 4 ASP O O -13.050 -1.824 -5.000 1.00 . A A . 4 ASP O 1 1 4 1192 1 1 4 ASP OD1 O -17.456 0.223 -6.711 1.00 . A A . 4 ASP OD1 1 1 4 1193 1 1 4 ASP OD2 O -17.805 -1.205 -5.044 1.00 . A A . 4 ASP OD2 1 1 4 1194 1 1 5 LEU C C -10.379 -0.113 -4.181 1.00 . A A . 5 LEU C 1 1 4 1195 1 1 5 LEU CA C -10.874 -0.145 -5.612 1.00 . A A . 5 LEU CA 1 1 4 1196 1 1 5 LEU CB C -10.009 0.857 -6.427 1.00 . A A . 5 LEU CB 1 1 4 1197 1 1 5 LEU CD1 C -9.142 -0.572 -8.381 1.00 . A A . 5 LEU CD1 1 1 4 1198 1 1 5 LEU CD2 C -11.361 0.643 -8.650 1.00 . A A . 5 LEU CD2 1 1 4 1199 1 1 5 LEU CG C -9.978 0.656 -7.968 1.00 . A A . 5 LEU CG 1 1 4 1200 1 1 5 LEU H H -12.469 1.168 -5.814 1.00 . A A . 5 LEU H 1 1 4 1201 1 1 5 LEU HA H -10.793 -1.143 -6.016 1.00 . A A . 5 LEU HA 1 1 4 1202 1 1 5 LEU HB2 H -10.372 1.885 -6.206 1.00 . A A . 5 LEU HB2 1 1 4 1203 1 1 5 LEU HB3 H -8.950 0.801 -6.085 1.00 . A A . 5 LEU HB3 1 1 4 1204 1 1 5 LEU HD11 H -9.634 -1.515 -8.065 1.00 . A A . 5 LEU HD11 1 1 4 1205 1 1 5 LEU HD12 H -8.132 -0.523 -7.918 1.00 . A A . 5 LEU HD12 1 1 4 1206 1 1 5 LEU HD13 H -9.019 -0.593 -9.486 1.00 . A A . 5 LEU HD13 1 1 4 1207 1 1 5 LEU HD21 H -11.937 1.552 -8.381 1.00 . A A . 5 LEU HD21 1 1 4 1208 1 1 5 LEU HD22 H -11.943 -0.252 -8.346 1.00 . A A . 5 LEU HD22 1 1 4 1209 1 1 5 LEU HD23 H -11.240 0.620 -9.754 1.00 . A A . 5 LEU HD23 1 1 4 1210 1 1 5 LEU HG H -9.438 1.547 -8.373 1.00 . A A . 5 LEU HG 1 1 4 1211 1 1 5 LEU N N -12.274 0.216 -5.592 1.00 . A A . 5 LEU N 1 1 4 1212 1 1 5 LEU O O -10.924 0.656 -3.387 1.00 . A A . 5 LEU O 1 1 4 1213 1 1 6 PRO C C -7.801 0.375 -2.482 1.00 . A A . 6 PRO C 1 1 4 1214 1 1 6 PRO CA C -8.739 -0.809 -2.487 1.00 . A A . 6 PRO CA 1 1 4 1215 1 1 6 PRO CB C -7.979 -2.138 -2.350 1.00 . A A . 6 PRO CB 1 1 4 1216 1 1 6 PRO CD C -8.821 -1.994 -4.597 1.00 . A A . 6 PRO CD 1 1 4 1217 1 1 6 PRO CG C -7.648 -2.555 -3.790 1.00 . A A . 6 PRO CG 1 1 4 1218 1 1 6 PRO HA H -9.473 -0.686 -1.703 1.00 . A A . 6 PRO HA 1 1 4 1219 1 1 6 PRO HB2 H -7.080 -2.072 -1.706 1.00 . A A . 6 PRO HB2 1 1 4 1220 1 1 6 PRO HB3 H -8.670 -2.895 -1.917 1.00 . A A . 6 PRO HB3 1 1 4 1221 1 1 6 PRO HD2 H -8.474 -1.617 -5.582 1.00 . A A . 6 PRO HD2 1 1 4 1222 1 1 6 PRO HD3 H -9.606 -2.770 -4.733 1.00 . A A . 6 PRO HD3 1 1 4 1223 1 1 6 PRO HG2 H -6.707 -2.060 -4.115 1.00 . A A . 6 PRO HG2 1 1 4 1224 1 1 6 PRO HG3 H -7.544 -3.653 -3.898 1.00 . A A . 6 PRO HG3 1 1 4 1225 1 1 6 PRO N N -9.378 -0.905 -3.789 1.00 . A A . 6 PRO N 1 1 4 1226 1 1 6 PRO O O -6.620 0.219 -2.784 1.00 . A A . 6 PRO O 1 1 4 1227 1 1 7 ASN C C -6.648 2.984 -1.085 1.00 . A A . 7 ASN C 1 1 4 1228 1 1 7 ASN CA C -7.602 2.827 -2.229 1.00 . A A . 7 ASN CA 1 1 4 1229 1 1 7 ASN CB C -8.559 4.043 -2.246 1.00 . A A . 7 ASN CB 1 1 4 1230 1 1 7 ASN CG C -9.453 3.947 -3.490 1.00 . A A . 7 ASN CG 1 1 4 1231 1 1 7 ASN H H -9.277 1.658 -1.875 1.00 . A A . 7 ASN H 1 1 4 1232 1 1 7 ASN HA H -7.014 2.804 -3.129 1.00 . A A . 7 ASN HA 1 1 4 1233 1 1 7 ASN HB2 H -9.174 4.057 -1.322 1.00 . A A . 7 ASN HB2 1 1 4 1234 1 1 7 ASN HB3 H -7.979 4.990 -2.303 1.00 . A A . 7 ASN HB3 1 1 4 1235 1 1 7 ASN HD21 H -11.164 4.066 -2.352 1.00 . A A . 7 ASN HD21 1 1 4 1236 1 1 7 ASN HD22 H -11.430 3.917 -4.058 1.00 . A A . 7 ASN HD22 1 1 4 1237 1 1 7 ASN N N -8.319 1.576 -2.136 1.00 . A A . 7 ASN N 1 1 4 1238 1 1 7 ASN ND2 N -10.803 3.979 -3.281 1.00 . A A . 7 ASN ND2 1 1 4 1239 1 1 7 ASN O O -5.609 3.627 -1.213 1.00 . A A . 7 ASN O 1 1 4 1240 1 1 7 ASN OD1 O -8.942 3.842 -4.611 1.00 . A A . 7 ASN OD1 1 1 4 1241 1 1 8 PHE C C -5.106 1.301 1.134 1.00 . A A . 8 PHE C 1 1 4 1242 1 1 8 PHE CA C -6.188 2.341 1.260 1.00 . A A . 8 PHE CA 1 1 4 1243 1 1 8 PHE CB C -7.030 2.012 2.516 1.00 . A A . 8 PHE CB 1 1 4 1244 1 1 8 PHE CD1 C -7.778 4.349 3.112 1.00 . A A . 8 PHE CD1 1 1 4 1245 1 1 8 PHE CD2 C -9.448 2.753 2.382 1.00 . A A . 8 PHE CD2 1 1 4 1246 1 1 8 PHE CE1 C -8.768 5.330 3.238 1.00 . A A . 8 PHE CE1 1 1 4 1247 1 1 8 PHE CE2 C -10.440 3.733 2.507 1.00 . A A . 8 PHE CE2 1 1 4 1248 1 1 8 PHE CG C -8.106 3.051 2.682 1.00 . A A . 8 PHE CG 1 1 4 1249 1 1 8 PHE CZ C -10.101 5.023 2.935 1.00 . A A . 8 PHE CZ 1 1 4 1250 1 1 8 PHE H H -7.831 1.830 0.077 1.00 . A A . 8 PHE H 1 1 4 1251 1 1 8 PHE HA H -5.720 3.309 1.375 1.00 . A A . 8 PHE HA 1 1 4 1252 1 1 8 PHE HB2 H -7.508 1.012 2.418 1.00 . A A . 8 PHE HB2 1 1 4 1253 1 1 8 PHE HB3 H -6.398 2.024 3.430 1.00 . A A . 8 PHE HB3 1 1 4 1254 1 1 8 PHE HD1 H -6.752 4.595 3.341 1.00 . A A . 8 PHE HD1 1 1 4 1255 1 1 8 PHE HD2 H -9.714 1.763 2.043 1.00 . A A . 8 PHE HD2 1 1 4 1256 1 1 8 PHE HE1 H -8.506 6.325 3.568 1.00 . A A . 8 PHE HE1 1 1 4 1257 1 1 8 PHE HE2 H -11.467 3.494 2.271 1.00 . A A . 8 PHE HE2 1 1 4 1258 1 1 8 PHE HZ H -10.866 5.779 3.030 1.00 . A A . 8 PHE HZ 1 1 4 1259 1 1 8 PHE N N -6.985 2.354 0.055 1.00 . A A . 8 PHE N 1 1 4 1260 1 1 8 PHE O O -4.069 1.397 1.788 1.00 . A A . 8 PHE O 1 1 4 1261 1 1 9 GLY C C -3.367 -0.310 -1.042 1.00 . A A . 9 GLY C 1 1 4 1262 1 1 9 GLY CA C -4.378 -0.758 -0.027 1.00 . A A . 9 GLY CA 1 1 4 1263 1 1 9 GLY H H -6.175 0.244 -0.263 1.00 . A A . 9 GLY H 1 1 4 1264 1 1 9 GLY HA2 H -3.866 -1.025 0.887 1.00 . A A . 9 GLY HA2 1 1 4 1265 1 1 9 GLY HA3 H -4.942 -1.575 -0.453 1.00 . A A . 9 GLY HA3 1 1 4 1266 1 1 9 GLY N N -5.325 0.291 0.257 1.00 . A A . 9 GLY N 1 1 4 1267 1 1 9 GLY O O -2.296 -0.903 -1.148 1.00 . A A . 9 GLY O 1 1 4 1268 1 1 10 HIS C C -1.823 2.271 -2.111 1.00 . A A . 10 HIS C 1 1 4 1269 1 1 10 HIS CA C -2.778 1.329 -2.793 1.00 . A A . 10 HIS CA 1 1 4 1270 1 1 10 HIS CB C -3.512 2.113 -3.908 1.00 . A A . 10 HIS CB 1 1 4 1271 1 1 10 HIS CD2 C -5.652 1.590 -5.281 1.00 . A A . 10 HIS CD2 1 1 4 1272 1 1 10 HIS CE1 C -5.243 -0.418 -5.894 1.00 . A A . 10 HIS CE1 1 1 4 1273 1 1 10 HIS CG C -4.447 1.269 -4.735 1.00 . A A . 10 HIS CG 1 1 4 1274 1 1 10 HIS H H -4.557 1.223 -1.724 1.00 . A A . 10 HIS H 1 1 4 1275 1 1 10 HIS HA H -2.204 0.531 -3.246 1.00 . A A . 10 HIS HA 1 1 4 1276 1 1 10 HIS HB2 H -4.099 2.945 -3.461 1.00 . A A . 10 HIS HB2 1 1 4 1277 1 1 10 HIS HB3 H -2.765 2.553 -4.604 1.00 . A A . 10 HIS HB3 1 1 4 1278 1 1 10 HIS HD1 H -3.370 -0.557 -4.911 1.00 . A A . 10 HIS HD1 1 1 4 1279 1 1 10 HIS HD2 H -6.210 2.515 -5.229 1.00 . A A . 10 HIS HD2 1 1 4 1280 1 1 10 HIS HE1 H -5.307 -1.408 -6.343 1.00 . A A . 10 HIS HE1 1 1 4 1281 1 1 10 HIS N N -3.678 0.760 -1.814 1.00 . A A . 10 HIS N 1 1 4 1282 1 1 10 HIS ND1 N -4.186 -0.023 -5.139 1.00 . A A . 10 HIS ND1 1 1 4 1283 1 1 10 HIS NE2 N -6.155 0.526 -6.009 1.00 . A A . 10 HIS NE2 1 1 4 1284 1 1 10 HIS O O -0.706 2.473 -2.584 1.00 . A A . 10 HIS O 1 1 4 1285 1 1 11 ILE C C -0.503 2.914 0.679 1.00 . A A . 11 ILE C 1 1 4 1286 1 1 11 ILE CA C -1.460 3.749 -0.142 1.00 . A A . 11 ILE CA 1 1 4 1287 1 1 11 ILE CB C -2.351 4.630 0.739 1.00 . A A . 11 ILE CB 1 1 4 1288 1 1 11 ILE CD1 C -4.285 6.339 0.565 1.00 . A A . 11 ILE CD1 1 1 4 1289 1 1 11 ILE CG1 C -3.134 5.627 -0.156 1.00 . A A . 11 ILE CG1 1 1 4 1290 1 1 11 ILE CG2 C -1.528 5.384 1.814 1.00 . A A . 11 ILE CG2 1 1 4 1291 1 1 11 ILE H H -3.153 2.641 -0.599 1.00 . A A . 11 ILE H 1 1 4 1292 1 1 11 ILE HA H -0.877 4.385 -0.794 1.00 . A A . 11 ILE HA 1 1 4 1293 1 1 11 ILE HB H -3.088 3.979 1.261 1.00 . A A . 11 ILE HB 1 1 4 1294 1 1 11 ILE HD11 H -4.996 5.596 0.985 1.00 . A A . 11 ILE HD11 1 1 4 1295 1 1 11 ILE HD12 H -4.839 6.987 -0.149 1.00 . A A . 11 ILE HD12 1 1 4 1296 1 1 11 ILE HD13 H -3.907 6.976 1.391 1.00 . A A . 11 ILE HD13 1 1 4 1297 1 1 11 ILE HG12 H -2.422 6.388 -0.547 1.00 . A A . 11 ILE HG12 1 1 4 1298 1 1 11 ILE HG13 H -3.560 5.092 -1.031 1.00 . A A . 11 ILE HG13 1 1 4 1299 1 1 11 ILE HG21 H -0.730 5.988 1.333 1.00 . A A . 11 ILE HG21 1 1 4 1300 1 1 11 ILE HG22 H -1.062 4.679 2.532 1.00 . A A . 11 ILE HG22 1 1 4 1301 1 1 11 ILE HG23 H -2.181 6.064 2.399 1.00 . A A . 11 ILE HG23 1 1 4 1302 1 1 11 ILE N N -2.247 2.850 -0.960 1.00 . A A . 11 ILE N 1 1 4 1303 1 1 11 ILE O O 0.614 3.343 0.963 1.00 . A A . 11 ILE O 1 1 4 1304 1 1 12 GLN C C 1.082 0.270 1.080 1.00 . A A . 12 GLN C 1 1 4 1305 1 1 12 GLN CA C -0.126 0.761 1.845 1.00 . A A . 12 GLN CA 1 1 4 1306 1 1 12 GLN CB C -0.980 -0.456 2.272 1.00 . A A . 12 GLN CB 1 1 4 1307 1 1 12 GLN CD C -1.209 -2.569 3.622 1.00 . A A . 12 GLN CD 1 1 4 1308 1 1 12 GLN CG C -0.293 -1.385 3.289 1.00 . A A . 12 GLN CG 1 1 4 1309 1 1 12 GLN H H -1.811 1.340 0.788 1.00 . A A . 12 GLN H 1 1 4 1310 1 1 12 GLN HA H 0.208 1.290 2.726 1.00 . A A . 12 GLN HA 1 1 4 1311 1 1 12 GLN HB2 H -1.917 -0.066 2.729 1.00 . A A . 12 GLN HB2 1 1 4 1312 1 1 12 GLN HB3 H -1.270 -1.040 1.371 1.00 . A A . 12 GLN HB3 1 1 4 1313 1 1 12 GLN HE21 H -2.524 -1.335 4.611 1.00 . A A . 12 GLN HE21 1 1 4 1314 1 1 12 GLN HE22 H -2.972 -3.008 4.588 1.00 . A A . 12 GLN HE22 1 1 4 1315 1 1 12 GLN HG2 H 0.651 -1.783 2.862 1.00 . A A . 12 GLN HG2 1 1 4 1316 1 1 12 GLN HG3 H -0.052 -0.824 4.216 1.00 . A A . 12 GLN HG3 1 1 4 1317 1 1 12 GLN N N -0.910 1.678 1.050 1.00 . A A . 12 GLN N 1 1 4 1318 1 1 12 GLN NE2 N -2.337 -2.278 4.338 1.00 . A A . 12 GLN NE2 1 1 4 1319 1 1 12 GLN O O 2.179 0.173 1.628 1.00 . A A . 12 GLN O 1 1 4 1320 1 1 12 GLN OE1 O -0.915 -3.712 3.252 1.00 . A A . 12 GLN OE1 1 1 4 1321 1 1 13 VAL C C 2.802 0.555 -1.609 1.00 . A A . 13 VAL C 1 1 4 1322 1 1 13 VAL CA C 1.912 -0.559 -1.109 1.00 . A A . 13 VAL CA 1 1 4 1323 1 1 13 VAL CB C 1.280 -1.364 -2.245 1.00 . A A . 13 VAL CB 1 1 4 1324 1 1 13 VAL CG1 C 2.316 -1.849 -3.282 1.00 . A A . 13 VAL CG1 1 1 4 1325 1 1 13 VAL CG2 C 0.561 -2.578 -1.614 1.00 . A A . 13 VAL CG2 1 1 4 1326 1 1 13 VAL H H -0.003 0.086 -0.649 1.00 . A A . 13 VAL H 1 1 4 1327 1 1 13 VAL HA H 2.537 -1.210 -0.527 1.00 . A A . 13 VAL HA 1 1 4 1328 1 1 13 VAL HB H 0.525 -0.735 -2.767 1.00 . A A . 13 VAL HB 1 1 4 1329 1 1 13 VAL HG11 H 2.749 -0.995 -3.845 1.00 . A A . 13 VAL HG11 1 1 4 1330 1 1 13 VAL HG12 H 1.830 -2.526 -4.015 1.00 . A A . 13 VAL HG12 1 1 4 1331 1 1 13 VAL HG13 H 3.136 -2.404 -2.780 1.00 . A A . 13 VAL HG13 1 1 4 1332 1 1 13 VAL HG21 H 1.295 -3.224 -1.088 1.00 . A A . 13 VAL HG21 1 1 4 1333 1 1 13 VAL HG22 H 0.067 -3.179 -2.405 1.00 . A A . 13 VAL HG22 1 1 4 1334 1 1 13 VAL HG23 H -0.211 -2.265 -0.884 1.00 . A A . 13 VAL HG23 1 1 4 1335 1 1 13 VAL N N 0.894 -0.026 -0.229 1.00 . A A . 13 VAL N 1 1 4 1336 1 1 13 VAL O O 3.938 0.317 -2.010 1.00 . A A . 13 VAL O 1 1 4 1337 1 1 14 LYS C C 4.126 3.296 -0.882 1.00 . A A . 14 LYS C 1 1 4 1338 1 1 14 LYS CA C 3.062 2.999 -1.914 1.00 . A A . 14 LYS CA 1 1 4 1339 1 1 14 LYS CB C 2.089 4.191 -2.111 1.00 . A A . 14 LYS CB 1 1 4 1340 1 1 14 LYS CD C 2.781 6.358 -0.936 1.00 . A A . 14 LYS CD 1 1 4 1341 1 1 14 LYS CE C 3.449 7.736 -1.040 1.00 . A A . 14 LYS CE 1 1 4 1342 1 1 14 LYS CG C 2.702 5.592 -2.271 1.00 . A A . 14 LYS CG 1 1 4 1343 1 1 14 LYS H H 1.427 1.989 -1.141 1.00 . A A . 14 LYS H 1 1 4 1344 1 1 14 LYS HA H 3.558 2.801 -2.853 1.00 . A A . 14 LYS HA 1 1 4 1345 1 1 14 LYS HB2 H 1.498 3.973 -3.031 1.00 . A A . 14 LYS HB2 1 1 4 1346 1 1 14 LYS HB3 H 1.370 4.224 -1.267 1.00 . A A . 14 LYS HB3 1 1 4 1347 1 1 14 LYS HD2 H 1.751 6.463 -0.530 1.00 . A A . 14 LYS HD2 1 1 4 1348 1 1 14 LYS HD3 H 3.355 5.746 -0.208 1.00 . A A . 14 LYS HD3 1 1 4 1349 1 1 14 LYS HE2 H 3.502 8.211 -0.037 1.00 . A A . 14 LYS HE2 1 1 4 1350 1 1 14 LYS HE3 H 4.474 7.642 -1.455 1.00 . A A . 14 LYS HE3 1 1 4 1351 1 1 14 LYS HG2 H 3.704 5.517 -2.742 1.00 . A A . 14 LYS HG2 1 1 4 1352 1 1 14 LYS HG3 H 2.048 6.175 -2.958 1.00 . A A . 14 LYS HG3 1 1 4 1353 1 1 14 LYS HZ1 H 1.721 8.766 -1.545 1.00 . A A . 14 LYS HZ1 1 1 4 1354 1 1 14 LYS HZ2 H 2.628 8.234 -2.878 1.00 . A A . 14 LYS HZ2 1 1 4 1355 1 1 14 LYS HZ3 H 3.157 9.568 -1.970 1.00 . A A . 14 LYS HZ3 1 1 4 1356 1 1 14 LYS N N 2.327 1.816 -1.531 1.00 . A A . 14 LYS N 1 1 4 1357 1 1 14 LYS NZ N 2.682 8.644 -1.924 1.00 . A A . 14 LYS NZ 1 1 4 1358 1 1 14 LYS O O 5.186 3.821 -1.217 1.00 . A A . 14 LYS O 1 1 4 1359 1 1 15 VAL C C 5.887 1.981 1.351 1.00 . A A . 15 VAL C 1 1 4 1360 1 1 15 VAL CA C 4.831 3.056 1.485 1.00 . A A . 15 VAL CA 1 1 4 1361 1 1 15 VAL CB C 4.142 2.991 2.848 1.00 . A A . 15 VAL CB 1 1 4 1362 1 1 15 VAL CG1 C 5.154 2.935 4.016 1.00 . A A . 15 VAL CG1 1 1 4 1363 1 1 15 VAL CG2 C 3.241 4.236 2.985 1.00 . A A . 15 VAL CG2 1 1 4 1364 1 1 15 VAL H H 3.013 2.503 0.650 1.00 . A A . 15 VAL H 1 1 4 1365 1 1 15 VAL HA H 5.321 4.015 1.392 1.00 . A A . 15 VAL HA 1 1 4 1366 1 1 15 VAL HB H 3.502 2.082 2.897 1.00 . A A . 15 VAL HB 1 1 4 1367 1 1 15 VAL HG11 H 5.720 1.981 4.011 1.00 . A A . 15 VAL HG11 1 1 4 1368 1 1 15 VAL HG12 H 4.615 3.005 4.985 1.00 . A A . 15 VAL HG12 1 1 4 1369 1 1 15 VAL HG13 H 5.868 3.782 3.949 1.00 . A A . 15 VAL HG13 1 1 4 1370 1 1 15 VAL HG21 H 2.693 4.206 3.951 1.00 . A A . 15 VAL HG21 1 1 4 1371 1 1 15 VAL HG22 H 2.499 4.293 2.167 1.00 . A A . 15 VAL HG22 1 1 4 1372 1 1 15 VAL HG23 H 3.858 5.160 2.961 1.00 . A A . 15 VAL HG23 1 1 4 1373 1 1 15 VAL N N 3.882 2.925 0.399 1.00 . A A . 15 VAL N 1 1 4 1374 1 1 15 VAL O O 7.043 2.194 1.707 1.00 . A A . 15 VAL O 1 1 4 1375 1 1 16 PHE C C 7.301 -0.069 -0.650 1.00 . A A . 16 PHE C 1 1 4 1376 1 1 16 PHE CA C 6.446 -0.292 0.577 1.00 . A A . 16 PHE CA 1 1 4 1377 1 1 16 PHE CB C 5.737 -1.663 0.399 1.00 . A A . 16 PHE CB 1 1 4 1378 1 1 16 PHE CD1 C 5.226 -1.735 2.920 1.00 . A A . 16 PHE CD1 1 1 4 1379 1 1 16 PHE CD2 C 3.761 -2.871 1.364 1.00 . A A . 16 PHE CD2 1 1 4 1380 1 1 16 PHE CE1 C 4.429 -2.169 3.985 1.00 . A A . 16 PHE CE1 1 1 4 1381 1 1 16 PHE CE2 C 2.963 -3.305 2.427 1.00 . A A . 16 PHE CE2 1 1 4 1382 1 1 16 PHE CG C 4.897 -2.071 1.589 1.00 . A A . 16 PHE CG 1 1 4 1383 1 1 16 PHE CZ C 3.295 -2.952 3.740 1.00 . A A . 16 PHE CZ 1 1 4 1384 1 1 16 PHE H H 4.586 0.639 0.485 1.00 . A A . 16 PHE H 1 1 4 1385 1 1 16 PHE HA H 7.111 -0.342 1.427 1.00 . A A . 16 PHE HA 1 1 4 1386 1 1 16 PHE HB2 H 5.077 -1.626 -0.495 1.00 . A A . 16 PHE HB2 1 1 4 1387 1 1 16 PHE HB3 H 6.490 -2.467 0.253 1.00 . A A . 16 PHE HB3 1 1 4 1388 1 1 16 PHE HD1 H 6.100 -1.144 3.146 1.00 . A A . 16 PHE HD1 1 1 4 1389 1 1 16 PHE HD2 H 3.499 -3.154 0.355 1.00 . A A . 16 PHE HD2 1 1 4 1390 1 1 16 PHE HE1 H 4.692 -1.903 4.998 1.00 . A A . 16 PHE HE1 1 1 4 1391 1 1 16 PHE HE2 H 2.090 -3.912 2.235 1.00 . A A . 16 PHE HE2 1 1 4 1392 1 1 16 PHE HZ H 2.680 -3.286 4.562 1.00 . A A . 16 PHE HZ 1 1 4 1393 1 1 16 PHE N N 5.522 0.803 0.787 1.00 . A A . 16 PHE N 1 1 4 1394 1 1 16 PHE O O 8.292 -0.767 -0.842 1.00 . A A . 16 PHE O 1 1 4 1395 1 1 17 ASN C C 8.660 2.379 -2.353 1.00 . A A . 17 ASN C 1 1 4 1396 1 1 17 ASN CA C 7.705 1.266 -2.685 1.00 . A A . 17 ASN CA 1 1 4 1397 1 1 17 ASN CB C 6.817 1.745 -3.863 1.00 . A A . 17 ASN CB 1 1 4 1398 1 1 17 ASN CG C 5.942 0.596 -4.385 1.00 . A A . 17 ASN CG 1 1 4 1399 1 1 17 ASN H H 6.094 1.423 -1.366 1.00 . A A . 17 ASN H 1 1 4 1400 1 1 17 ASN HA H 8.310 0.421 -2.980 1.00 . A A . 17 ASN HA 1 1 4 1401 1 1 17 ASN HB2 H 6.168 2.583 -3.530 1.00 . A A . 17 ASN HB2 1 1 4 1402 1 1 17 ASN HB3 H 7.455 2.098 -4.702 1.00 . A A . 17 ASN HB3 1 1 4 1403 1 1 17 ASN HD21 H 4.631 1.944 -5.223 1.00 . A A . 17 ASN HD21 1 1 4 1404 1 1 17 ASN HD22 H 4.213 0.279 -5.456 1.00 . A A . 17 ASN HD22 1 1 4 1405 1 1 17 ASN N N 6.940 0.914 -1.508 1.00 . A A . 17 ASN N 1 1 4 1406 1 1 17 ASN ND2 N 4.829 0.974 -5.085 1.00 . A A . 17 ASN ND2 1 1 4 1407 1 1 17 ASN O O 9.845 2.290 -2.663 1.00 . A A . 17 ASN O 1 1 4 1408 1 1 17 ASN OD1 O 6.241 -0.587 -4.184 1.00 . A A . 17 ASN OD1 1 1 4 1409 1 1 18 HIS C C 9.950 4.337 -0.323 1.00 . A A . 18 HIS C 1 1 4 1410 1 1 18 HIS CA C 8.932 4.643 -1.390 1.00 . A A . 18 HIS CA 1 1 4 1411 1 1 18 HIS CB C 8.021 5.790 -0.893 1.00 . A A . 18 HIS CB 1 1 4 1412 1 1 18 HIS CD2 C 9.315 7.605 0.422 1.00 . A A . 18 HIS CD2 1 1 4 1413 1 1 18 HIS CE1 C 9.787 8.974 -1.152 1.00 . A A . 18 HIS CE1 1 1 4 1414 1 1 18 HIS CG C 8.757 7.088 -0.703 1.00 . A A . 18 HIS CG 1 1 4 1415 1 1 18 HIS H H 7.201 3.525 -1.462 1.00 . A A . 18 HIS H 1 1 4 1416 1 1 18 HIS HA H 9.448 4.968 -2.280 1.00 . A A . 18 HIS HA 1 1 4 1417 1 1 18 HIS HB2 H 7.211 5.954 -1.636 1.00 . A A . 18 HIS HB2 1 1 4 1418 1 1 18 HIS HB3 H 7.539 5.502 0.066 1.00 . A A . 18 HIS HB3 1 1 4 1419 1 1 18 HIS HD1 H 8.821 7.868 -2.681 1.00 . A A . 18 HIS HD1 1 1 4 1420 1 1 18 HIS HD2 H 9.333 7.194 1.422 1.00 . A A . 18 HIS HD2 1 1 4 1421 1 1 18 HIS HE1 H 10.170 9.816 -1.723 1.00 . A A . 18 HIS HE1 1 1 4 1422 1 1 18 HIS N N 8.163 3.464 -1.712 1.00 . A A . 18 HIS N 1 1 4 1423 1 1 18 HIS ND1 N 9.070 7.968 -1.717 1.00 . A A . 18 HIS ND1 1 1 4 1424 1 1 18 HIS NE2 N 9.962 8.795 0.144 1.00 . A A . 18 HIS NE2 1 1 4 1425 1 1 18 HIS O O 11.108 4.743 -0.424 1.00 . A A . 18 HIS O 1 1 4 1426 1 1 19 GLY C C 11.084 1.963 1.645 1.00 . A A . 19 GLY C 1 1 4 1427 1 1 19 GLY CA C 10.344 3.253 1.852 1.00 . A A . 19 GLY CA 1 1 4 1428 1 1 19 GLY H H 8.585 3.257 0.761 1.00 . A A . 19 GLY H 1 1 4 1429 1 1 19 GLY HA2 H 11.063 4.042 2.020 1.00 . A A . 19 GLY HA2 1 1 4 1430 1 1 19 GLY HA3 H 9.669 3.116 2.684 1.00 . A A . 19 GLY HA3 1 1 4 1431 1 1 19 GLY N N 9.524 3.592 0.719 1.00 . A A . 19 GLY N 1 1 4 1432 1 1 19 GLY O O 11.968 1.653 2.441 1.00 . A A . 19 GLY O 1 1 4 1433 1 1 20 GLU C C 11.074 -1.101 1.395 1.00 . A A . 20 GLU C 1 1 4 1434 1 1 20 GLU CA C 11.327 -0.112 0.284 1.00 . A A . 20 GLU CA 1 1 4 1435 1 1 20 GLU CB C 12.833 -0.067 -0.095 1.00 . A A . 20 GLU CB 1 1 4 1436 1 1 20 GLU CD C 12.651 -0.247 -2.597 1.00 . A A . 20 GLU CD 1 1 4 1437 1 1 20 GLU CG C 13.112 0.638 -1.437 1.00 . A A . 20 GLU CG 1 1 4 1438 1 1 20 GLU H H 10.015 1.451 -0.055 1.00 . A A . 20 GLU H 1 1 4 1439 1 1 20 GLU HA H 10.793 -0.482 -0.577 1.00 . A A . 20 GLU HA 1 1 4 1440 1 1 20 GLU HB2 H 13.391 0.469 0.703 1.00 . A A . 20 GLU HB2 1 1 4 1441 1 1 20 GLU HB3 H 13.251 -1.096 -0.152 1.00 . A A . 20 GLU HB3 1 1 4 1442 1 1 20 GLU HG2 H 12.594 1.620 -1.469 1.00 . A A . 20 GLU HG2 1 1 4 1443 1 1 20 GLU HG3 H 14.204 0.814 -1.540 1.00 . A A . 20 GLU HG3 1 1 4 1444 1 1 20 GLU N N 10.732 1.177 0.587 1.00 . A A . 20 GLU N 1 1 4 1445 1 1 20 GLU O O 11.999 -1.744 1.887 1.00 . A A . 20 GLU O 1 1 4 1446 1 1 20 GLU OE1 O 13.213 -1.365 -2.746 1.00 . A A . 20 GLU OE1 1 1 4 1447 1 1 20 GLU OE2 O 11.738 0.181 -3.352 1.00 . A A . 20 GLU OE2 1 1 4 1448 1 1 21 HIS C C 9.970 -1.963 4.114 1.00 . A A . 21 HIS C 1 1 4 1449 1 1 21 HIS CA C 9.274 -2.151 2.784 1.00 . A A . 21 HIS CA 1 1 4 1450 1 1 21 HIS CB C 9.278 -3.622 2.277 1.00 . A A . 21 HIS CB 1 1 4 1451 1 1 21 HIS CD2 C 7.643 -4.472 4.139 1.00 . A A . 21 HIS CD2 1 1 4 1452 1 1 21 HIS CE1 C 8.006 -6.575 4.005 1.00 . A A . 21 HIS CE1 1 1 4 1453 1 1 21 HIS CG C 8.577 -4.630 3.159 1.00 . A A . 21 HIS CG 1 1 4 1454 1 1 21 HIS H H 9.080 -0.661 1.372 1.00 . A A . 21 HIS H 1 1 4 1455 1 1 21 HIS HA H 8.246 -1.856 2.923 1.00 . A A . 21 HIS HA 1 1 4 1456 1 1 21 HIS HB2 H 8.773 -3.647 1.287 1.00 . A A . 21 HIS HB2 1 1 4 1457 1 1 21 HIS HB3 H 10.329 -3.949 2.115 1.00 . A A . 21 HIS HB3 1 1 4 1458 1 1 21 HIS HD1 H 9.437 -6.442 2.448 1.00 . A A . 21 HIS HD1 1 1 4 1459 1 1 21 HIS HD2 H 7.182 -3.575 4.533 1.00 . A A . 21 HIS HD2 1 1 4 1460 1 1 21 HIS HE1 H 7.984 -7.652 4.165 1.00 . A A . 21 HIS HE1 1 1 4 1461 1 1 21 HIS N N 9.783 -1.225 1.797 1.00 . A A . 21 HIS N 1 1 4 1462 1 1 21 HIS ND1 N 8.801 -5.988 3.076 1.00 . A A . 21 HIS ND1 1 1 4 1463 1 1 21 HIS NE2 N 7.287 -5.697 4.674 1.00 . A A . 21 HIS NE2 1 1 4 1464 1 1 21 HIS O O 10.021 -0.849 4.632 1.00 . A A . 21 HIS O 1 1 4 1465 1 1 22 ILE C C 12.833 -3.089 5.285 1.00 . A A . 22 ILE C 1 1 4 1466 1 1 22 ILE CA C 11.427 -3.028 5.811 1.00 . A A . 22 ILE CA 1 1 4 1467 1 1 22 ILE CB C 11.155 -4.096 6.875 1.00 . A A . 22 ILE CB 1 1 4 1468 1 1 22 ILE CD1 C 11.166 -6.597 7.517 1.00 . A A . 22 ILE CD1 1 1 4 1469 1 1 22 ILE CG1 C 11.266 -5.566 6.386 1.00 . A A . 22 ILE CG1 1 1 4 1470 1 1 22 ILE CG2 C 9.765 -3.783 7.475 1.00 . A A . 22 ILE CG2 1 1 4 1471 1 1 22 ILE H H 10.430 -3.942 4.227 1.00 . A A . 22 ILE H 1 1 4 1472 1 1 22 ILE HA H 11.334 -2.070 6.282 1.00 . A A . 22 ILE HA 1 1 4 1473 1 1 22 ILE HB H 11.904 -3.962 7.691 1.00 . A A . 22 ILE HB 1 1 4 1474 1 1 22 ILE HD11 H 11.944 -6.404 8.286 1.00 . A A . 22 ILE HD11 1 1 4 1475 1 1 22 ILE HD12 H 11.318 -7.621 7.113 1.00 . A A . 22 ILE HD12 1 1 4 1476 1 1 22 ILE HD13 H 10.168 -6.558 8.001 1.00 . A A . 22 ILE HD13 1 1 4 1477 1 1 22 ILE HG12 H 10.464 -5.785 5.650 1.00 . A A . 22 ILE HG12 1 1 4 1478 1 1 22 ILE HG13 H 12.248 -5.716 5.888 1.00 . A A . 22 ILE HG13 1 1 4 1479 1 1 22 ILE HG21 H 8.967 -3.956 6.722 1.00 . A A . 22 ILE HG21 1 1 4 1480 1 1 22 ILE HG22 H 9.719 -2.723 7.801 1.00 . A A . 22 ILE HG22 1 1 4 1481 1 1 22 ILE HG23 H 9.563 -4.425 8.356 1.00 . A A . 22 ILE HG23 1 1 4 1482 1 1 22 ILE N N 10.543 -3.057 4.668 1.00 . A A . 22 ILE N 1 1 4 1483 1 1 22 ILE O O 13.739 -2.446 5.815 1.00 . A A . 22 ILE O 1 1 4 1484 1 1 23 HIS C C 13.841 -4.535 2.128 1.00 . A A . 23 HIS C 1 1 4 1485 1 1 23 HIS CA C 14.231 -3.923 3.441 1.00 . A A . 23 HIS CA 1 1 4 1486 1 1 23 HIS CB C 15.324 -4.807 4.093 1.00 . A A . 23 HIS CB 1 1 4 1487 1 1 23 HIS CD2 C 17.117 -5.922 2.552 1.00 . A A . 23 HIS CD2 1 1 4 1488 1 1 23 HIS CE1 C 18.416 -4.251 2.237 1.00 . A A . 23 HIS CE1 1 1 4 1489 1 1 23 HIS CG C 16.589 -4.893 3.274 1.00 . A A . 23 HIS CG 1 1 4 1490 1 1 23 HIS H H 12.230 -4.331 3.814 1.00 . A A . 23 HIS H 1 1 4 1491 1 1 23 HIS HA H 14.593 -2.919 3.272 1.00 . A A . 23 HIS HA 1 1 4 1492 1 1 23 HIS HB2 H 15.587 -4.374 5.084 1.00 . A A . 23 HIS HB2 1 1 4 1493 1 1 23 HIS HB3 H 14.918 -5.827 4.273 1.00 . A A . 23 HIS HB3 1 1 4 1494 1 1 23 HIS HD1 H 17.317 -2.902 3.448 1.00 . A A . 23 HIS HD1 1 1 4 1495 1 1 23 HIS HD2 H 16.768 -6.938 2.418 1.00 . A A . 23 HIS HD2 1 1 4 1496 1 1 23 HIS HE1 H 19.225 -3.605 1.902 1.00 . A A . 23 HIS HE1 1 1 4 1497 1 1 23 HIS N N 13.011 -3.845 4.188 1.00 . A A . 23 HIS N 1 1 4 1498 1 1 23 HIS ND1 N 17.429 -3.820 3.063 1.00 . A A . 23 HIS ND1 1 1 4 1499 1 1 23 HIS NE2 N 18.268 -5.518 1.901 1.00 . A A . 23 HIS NE2 1 1 4 1500 1 1 23 HIS O O 13.141 -5.546 2.100 1.00 . A A . 23 HIS O 1 1 4 1501 1 1 24 HIS C C 12.699 -4.721 -0.728 1.00 . A A . 24 HIS C 1 1 4 1502 1 1 24 HIS CA C 14.163 -4.390 -0.344 1.00 . A A . 24 HIS CA 1 1 4 1503 1 1 24 HIS CB C 15.096 -5.590 -0.647 1.00 . A A . 24 HIS CB 1 1 4 1504 1 1 24 HIS CD2 C 14.798 -7.102 -2.739 1.00 . A A . 24 HIS CD2 1 1 4 1505 1 1 24 HIS CE1 C 15.555 -5.803 -4.260 1.00 . A A . 24 HIS CE1 1 1 4 1506 1 1 24 HIS CG C 15.173 -5.957 -2.105 1.00 . A A . 24 HIS CG 1 1 4 1507 1 1 24 HIS H H 14.843 -3.078 1.099 1.00 . A A . 24 HIS H 1 1 4 1508 1 1 24 HIS HA H 14.488 -3.569 -0.967 1.00 . A A . 24 HIS HA 1 1 4 1509 1 1 24 HIS HB2 H 16.124 -5.333 -0.309 1.00 . A A . 24 HIS HB2 1 1 4 1510 1 1 24 HIS HB3 H 14.766 -6.478 -0.065 1.00 . A A . 24 HIS HB3 1 1 4 1511 1 1 24 HIS HD1 H 16.017 -4.199 -2.955 1.00 . A A . 24 HIS HD1 1 1 4 1512 1 1 24 HIS HD2 H 14.368 -8.005 -2.328 1.00 . A A . 24 HIS HD2 1 1 4 1513 1 1 24 HIS HE1 H 15.870 -5.384 -5.214 1.00 . A A . 24 HIS HE1 1 1 4 1514 1 1 24 HIS N N 14.307 -3.914 1.016 1.00 . A A . 24 HIS N 1 1 4 1515 1 1 24 HIS ND1 N 15.657 -5.124 -3.091 1.00 . A A . 24 HIS ND1 1 1 4 1516 1 1 24 HIS NE2 N 15.039 -7.006 -4.097 1.00 . A A . 24 HIS NE2 1 1 4 1517 1 1 24 HIS O O 12.363 -5.872 -1.028 1.00 . A A . 24 HIS O 1 1 4 1518 1 1 25 NH2 HN1 H 12.142 -2.761 -0.453 1.00 . A A . 25 NH2 HN1 1 1 4 1519 1 1 25 NH2 HN2 H 10.868 -3.819 -0.963 1.00 . A A . 25 NH2 HN2 1 1 4 1520 1 1 25 NH2 N N 11.824 -3.671 -0.717 1.00 . A A . 25 NH2 N 1 1 5 1521 1 1 1 ACE C C -21.740 -3.536 -1.392 1.00 . A A . 1 ACE C 1 1 5 1522 1 1 1 ACE CH3 C -22.405 -4.150 -0.205 1.00 . A A . 1 ACE CH3 1 1 5 1523 1 1 1 ACE H1 H -23.472 -3.843 -0.158 1.00 . A A . 1 ACE H1 1 1 5 1524 1 1 1 ACE H2 H -22.357 -5.259 -0.265 1.00 . A A . 1 ACE H2 1 1 5 1525 1 1 1 ACE H3 H -21.899 -3.823 0.730 1.00 . A A . 1 ACE H3 1 1 5 1526 1 1 1 ACE O O -21.220 -4.241 -2.256 1.00 . A A . 1 ACE O 1 1 5 1527 1 1 2 PHE C C -19.793 -0.941 -1.885 1.00 . A A . 2 PHE C 1 1 5 1528 1 1 2 PHE CA C -21.090 -1.420 -2.478 1.00 . A A . 2 PHE CA 1 1 5 1529 1 1 2 PHE CB C -21.949 -0.209 -2.940 1.00 . A A . 2 PHE CB 1 1 5 1530 1 1 2 PHE CD1 C -21.340 -0.110 -5.395 1.00 . A A . 2 PHE CD1 1 1 5 1531 1 1 2 PHE CD2 C -20.750 1.767 -3.981 1.00 . A A . 2 PHE CD2 1 1 5 1532 1 1 2 PHE CE1 C -20.755 0.532 -6.493 1.00 . A A . 2 PHE CE1 1 1 5 1533 1 1 2 PHE CE2 C -20.164 2.410 -5.078 1.00 . A A . 2 PHE CE2 1 1 5 1534 1 1 2 PHE CG C -21.343 0.500 -4.127 1.00 . A A . 2 PHE CG 1 1 5 1535 1 1 2 PHE CZ C -20.167 1.793 -6.334 1.00 . A A . 2 PHE CZ 1 1 5 1536 1 1 2 PHE H H -22.189 -1.644 -0.738 1.00 . A A . 2 PHE H 1 1 5 1537 1 1 2 PHE HA H -20.881 -2.061 -3.324 1.00 . A A . 2 PHE HA 1 1 5 1538 1 1 2 PHE HB2 H -22.952 -0.571 -3.251 1.00 . A A . 2 PHE HB2 1 1 5 1539 1 1 2 PHE HB3 H -22.085 0.516 -2.108 1.00 . A A . 2 PHE HB3 1 1 5 1540 1 1 2 PHE HD1 H -21.787 -1.085 -5.523 1.00 . A A . 2 PHE HD1 1 1 5 1541 1 1 2 PHE HD2 H -20.736 2.244 -3.012 1.00 . A A . 2 PHE HD2 1 1 5 1542 1 1 2 PHE HE1 H -20.758 0.056 -7.462 1.00 . A A . 2 PHE HE1 1 1 5 1543 1 1 2 PHE HE2 H -19.707 3.381 -4.953 1.00 . A A . 2 PHE HE2 1 1 5 1544 1 1 2 PHE HZ H -19.715 2.289 -7.181 1.00 . A A . 2 PHE HZ 1 1 5 1545 1 1 2 PHE N N -21.747 -2.184 -1.448 1.00 . A A . 2 PHE N 1 1 5 1546 1 1 2 PHE O O -19.749 -0.549 -0.719 1.00 . A A . 2 PHE O 1 1 5 1547 1 1 3 GLU C C -16.756 -1.397 -1.335 1.00 . A A . 3 GLU C 1 1 5 1548 1 1 3 GLU CA C -17.379 -0.515 -2.385 1.00 . A A . 3 GLU CA 1 1 5 1549 1 1 3 GLU CB C -17.298 1.000 -2.048 1.00 . A A . 3 GLU CB 1 1 5 1550 1 1 3 GLU CD C -15.106 1.361 -0.793 1.00 . A A . 3 GLU CD 1 1 5 1551 1 1 3 GLU CG C -15.886 1.626 -2.082 1.00 . A A . 3 GLU CG 1 1 5 1552 1 1 3 GLU H H -18.831 -1.328 -3.636 1.00 . A A . 3 GLU H 1 1 5 1553 1 1 3 GLU HA H -16.798 -0.646 -3.289 1.00 . A A . 3 GLU HA 1 1 5 1554 1 1 3 GLU HB2 H -17.887 1.528 -2.834 1.00 . A A . 3 GLU HB2 1 1 5 1555 1 1 3 GLU HB3 H -17.798 1.213 -1.079 1.00 . A A . 3 GLU HB3 1 1 5 1556 1 1 3 GLU HG2 H -15.327 1.237 -2.959 1.00 . A A . 3 GLU HG2 1 1 5 1557 1 1 3 GLU HG3 H -15.989 2.727 -2.198 1.00 . A A . 3 GLU HG3 1 1 5 1558 1 1 3 GLU N N -18.715 -0.975 -2.709 1.00 . A A . 3 GLU N 1 1 5 1559 1 1 3 GLU O O -16.870 -1.147 -0.136 1.00 . A A . 3 GLU O 1 1 5 1560 1 1 3 GLU OE1 O -15.590 1.787 0.289 1.00 . A A . 3 GLU OE1 1 1 5 1561 1 1 3 GLU OE2 O -14.013 0.742 -0.874 1.00 . A A . 3 GLU OE2 1 1 5 1562 1 1 4 ASP C C -13.975 -3.466 -1.508 1.00 . A A . 4 ASP C 1 1 5 1563 1 1 4 ASP CA C -15.374 -3.409 -0.958 1.00 . A A . 4 ASP CA 1 1 5 1564 1 1 4 ASP CB C -15.996 -4.829 -0.987 1.00 . A A . 4 ASP CB 1 1 5 1565 1 1 4 ASP CG C -17.426 -4.776 -0.446 1.00 . A A . 4 ASP CG 1 1 5 1566 1 1 4 ASP H H -16.032 -2.665 -2.776 1.00 . A A . 4 ASP H 1 1 5 1567 1 1 4 ASP HA H -15.321 -3.040 0.058 1.00 . A A . 4 ASP HA 1 1 5 1568 1 1 4 ASP HB2 H -16.012 -5.216 -2.029 1.00 . A A . 4 ASP HB2 1 1 5 1569 1 1 4 ASP HB3 H -15.404 -5.526 -0.355 1.00 . A A . 4 ASP HB3 1 1 5 1570 1 1 4 ASP N N -16.084 -2.475 -1.799 1.00 . A A . 4 ASP N 1 1 5 1571 1 1 4 ASP O O -13.378 -4.535 -1.629 1.00 . A A . 4 ASP O 1 1 5 1572 1 1 4 ASP OD1 O -17.593 -4.431 0.753 1.00 . A A . 4 ASP OD1 1 1 5 1573 1 1 4 ASP OD2 O -18.367 -5.081 -1.226 1.00 . A A . 4 ASP OD2 1 1 5 1574 1 1 5 LEU C C -11.150 -1.843 -1.350 1.00 . A A . 5 LEU C 1 1 5 1575 1 1 5 LEU CA C -12.132 -2.120 -2.463 1.00 . A A . 5 LEU CA 1 1 5 1576 1 1 5 LEU CB C -12.130 -0.903 -3.423 1.00 . A A . 5 LEU CB 1 1 5 1577 1 1 5 LEU CD1 C -10.505 -1.785 -5.213 1.00 . A A . 5 LEU CD1 1 1 5 1578 1 1 5 LEU CD2 C -10.891 0.712 -4.939 1.00 . A A . 5 LEU CD2 1 1 5 1579 1 1 5 LEU CG C -10.827 -0.651 -4.220 1.00 . A A . 5 LEU CG 1 1 5 1580 1 1 5 LEU H H -13.932 -1.430 -1.722 1.00 . A A . 5 LEU H 1 1 5 1581 1 1 5 LEU HA H -11.887 -3.018 -3.010 1.00 . A A . 5 LEU HA 1 1 5 1582 1 1 5 LEU HB2 H -12.958 -1.040 -4.156 1.00 . A A . 5 LEU HB2 1 1 5 1583 1 1 5 LEU HB3 H -12.358 0.015 -2.834 1.00 . A A . 5 LEU HB3 1 1 5 1584 1 1 5 LEU HD11 H -10.379 -2.750 -4.683 1.00 . A A . 5 LEU HD11 1 1 5 1585 1 1 5 LEU HD12 H -9.563 -1.560 -5.756 1.00 . A A . 5 LEU HD12 1 1 5 1586 1 1 5 LEU HD13 H -11.324 -1.890 -5.956 1.00 . A A . 5 LEU HD13 1 1 5 1587 1 1 5 LEU HD21 H -11.051 1.527 -4.202 1.00 . A A . 5 LEU HD21 1 1 5 1588 1 1 5 LEU HD22 H -11.726 0.725 -5.671 1.00 . A A . 5 LEU HD22 1 1 5 1589 1 1 5 LEU HD23 H -9.942 0.909 -5.481 1.00 . A A . 5 LEU HD23 1 1 5 1590 1 1 5 LEU HG H -9.983 -0.590 -3.495 1.00 . A A . 5 LEU HG 1 1 5 1591 1 1 5 LEU N N -13.427 -2.279 -1.856 1.00 . A A . 5 LEU N 1 1 5 1592 1 1 5 LEU O O -11.471 -1.024 -0.488 1.00 . A A . 5 LEU O 1 1 5 1593 1 1 6 PRO C C -8.307 -0.685 -1.046 1.00 . A A . 6 PRO C 1 1 5 1594 1 1 6 PRO CA C -8.853 -1.980 -0.482 1.00 . A A . 6 PRO CA 1 1 5 1595 1 1 6 PRO CB C -7.816 -3.121 -0.544 1.00 . A A . 6 PRO CB 1 1 5 1596 1 1 6 PRO CD C -9.714 -3.790 -1.826 1.00 . A A . 6 PRO CD 1 1 5 1597 1 1 6 PRO CG C -8.643 -4.360 -0.898 1.00 . A A . 6 PRO CG 1 1 5 1598 1 1 6 PRO HA H -9.196 -1.816 0.530 1.00 . A A . 6 PRO HA 1 1 5 1599 1 1 6 PRO HB2 H -7.070 -2.980 -1.355 1.00 . A A . 6 PRO HB2 1 1 5 1600 1 1 6 PRO HB3 H -7.283 -3.239 0.421 1.00 . A A . 6 PRO HB3 1 1 5 1601 1 1 6 PRO HD2 H -9.326 -3.696 -2.863 1.00 . A A . 6 PRO HD2 1 1 5 1602 1 1 6 PRO HD3 H -10.631 -4.418 -1.808 1.00 . A A . 6 PRO HD3 1 1 5 1603 1 1 6 PRO HG2 H -8.038 -5.154 -1.379 1.00 . A A . 6 PRO HG2 1 1 5 1604 1 1 6 PRO HG3 H -9.124 -4.761 0.021 1.00 . A A . 6 PRO HG3 1 1 5 1605 1 1 6 PRO N N -9.962 -2.448 -1.302 1.00 . A A . 6 PRO N 1 1 5 1606 1 1 6 PRO O O -7.385 -0.713 -1.858 1.00 . A A . 6 PRO O 1 1 5 1607 1 1 7 ASN C C -7.312 2.270 -0.600 1.00 . A A . 7 ASN C 1 1 5 1608 1 1 7 ASN CA C -8.600 1.769 -1.179 1.00 . A A . 7 ASN CA 1 1 5 1609 1 1 7 ASN CB C -9.755 2.765 -0.883 1.00 . A A . 7 ASN CB 1 1 5 1610 1 1 7 ASN CG C -9.571 4.103 -1.617 1.00 . A A . 7 ASN CG 1 1 5 1611 1 1 7 ASN H H -9.625 0.448 0.041 1.00 . A A . 7 ASN H 1 1 5 1612 1 1 7 ASN HA H -8.468 1.649 -2.235 1.00 . A A . 7 ASN HA 1 1 5 1613 1 1 7 ASN HB2 H -10.715 2.311 -1.215 1.00 . A A . 7 ASN HB2 1 1 5 1614 1 1 7 ASN HB3 H -9.830 2.955 0.208 1.00 . A A . 7 ASN HB3 1 1 5 1615 1 1 7 ASN HD21 H -9.824 3.184 -3.441 1.00 . A A . 7 ASN HD21 1 1 5 1616 1 1 7 ASN HD22 H -9.539 4.892 -3.517 1.00 . A A . 7 ASN HD22 1 1 5 1617 1 1 7 ASN N N -8.887 0.466 -0.630 1.00 . A A . 7 ASN N 1 1 5 1618 1 1 7 ASN ND2 N -9.653 4.056 -2.981 1.00 . A A . 7 ASN ND2 1 1 5 1619 1 1 7 ASN O O -6.450 2.789 -1.305 1.00 . A A . 7 ASN O 1 1 5 1620 1 1 7 ASN OD1 O -9.359 5.143 -0.982 1.00 . A A . 7 ASN OD1 1 1 5 1621 1 1 8 PHE C C -5.025 1.310 1.504 1.00 . A A . 8 PHE C 1 1 5 1622 1 1 8 PHE CA C -6.022 2.441 1.509 1.00 . A A . 8 PHE CA 1 1 5 1623 1 1 8 PHE CB C -6.397 2.776 2.971 1.00 . A A . 8 PHE CB 1 1 5 1624 1 1 8 PHE CD1 C -6.894 5.231 2.646 1.00 . A A . 8 PHE CD1 1 1 5 1625 1 1 8 PHE CD2 C -8.717 3.754 3.249 1.00 . A A . 8 PHE CD2 1 1 5 1626 1 1 8 PHE CE1 C -7.785 6.310 2.593 1.00 . A A . 8 PHE CE1 1 1 5 1627 1 1 8 PHE CE2 C -9.609 4.832 3.197 1.00 . A A . 8 PHE CE2 1 1 5 1628 1 1 8 PHE CG C -7.351 3.940 2.971 1.00 . A A . 8 PHE CG 1 1 5 1629 1 1 8 PHE CZ C -9.143 6.110 2.868 1.00 . A A . 8 PHE CZ 1 1 5 1630 1 1 8 PHE H H -7.922 1.619 1.194 1.00 . A A . 8 PHE H 1 1 5 1631 1 1 8 PHE HA H -5.551 3.299 1.053 1.00 . A A . 8 PHE HA 1 1 5 1632 1 1 8 PHE HB2 H -6.884 1.906 3.462 1.00 . A A . 8 PHE HB2 1 1 5 1633 1 1 8 PHE HB3 H -5.498 3.070 3.556 1.00 . A A . 8 PHE HB3 1 1 5 1634 1 1 8 PHE HD1 H -5.849 5.390 2.421 1.00 . A A . 8 PHE HD1 1 1 5 1635 1 1 8 PHE HD2 H -9.086 2.767 3.489 1.00 . A A . 8 PHE HD2 1 1 5 1636 1 1 8 PHE HE1 H -7.423 7.295 2.337 1.00 . A A . 8 PHE HE1 1 1 5 1637 1 1 8 PHE HE2 H -10.657 4.676 3.405 1.00 . A A . 8 PHE HE2 1 1 5 1638 1 1 8 PHE HZ H -9.830 6.942 2.826 1.00 . A A . 8 PHE HZ 1 1 5 1639 1 1 8 PHE N N -7.175 2.073 0.721 1.00 . A A . 8 PHE N 1 1 5 1640 1 1 8 PHE O O -3.934 1.437 2.057 1.00 . A A . 8 PHE O 1 1 5 1641 1 1 9 GLY C C -3.714 -0.680 -0.695 1.00 . A A . 9 GLY C 1 1 5 1642 1 1 9 GLY CA C -4.489 -0.919 0.571 1.00 . A A . 9 GLY CA 1 1 5 1643 1 1 9 GLY H H -6.273 0.111 0.404 1.00 . A A . 9 GLY H 1 1 5 1644 1 1 9 GLY HA2 H -3.797 -1.022 1.394 1.00 . A A . 9 GLY HA2 1 1 5 1645 1 1 9 GLY HA3 H -5.113 -1.788 0.425 1.00 . A A . 9 GLY HA3 1 1 5 1646 1 1 9 GLY N N -5.373 0.189 0.825 1.00 . A A . 9 GLY N 1 1 5 1647 1 1 9 GLY O O -2.830 -1.463 -1.031 1.00 . A A . 9 GLY O 1 1 5 1648 1 1 10 HIS C C -2.212 1.838 -2.079 1.00 . A A . 10 HIS C 1 1 5 1649 1 1 10 HIS CA C -3.271 0.886 -2.565 1.00 . A A . 10 HIS CA 1 1 5 1650 1 1 10 HIS CB C -4.136 1.645 -3.598 1.00 . A A . 10 HIS CB 1 1 5 1651 1 1 10 HIS CD2 C -6.577 1.184 -4.331 1.00 . A A . 10 HIS CD2 1 1 5 1652 1 1 10 HIS CE1 C -6.397 -0.825 -5.043 1.00 . A A . 10 HIS CE1 1 1 5 1653 1 1 10 HIS CG C -5.277 0.832 -4.140 1.00 . A A . 10 HIS CG 1 1 5 1654 1 1 10 HIS H H -4.774 1.020 -1.146 1.00 . A A . 10 HIS H 1 1 5 1655 1 1 10 HIS HA H -2.793 0.043 -3.044 1.00 . A A . 10 HIS HA 1 1 5 1656 1 1 10 HIS HB2 H -4.564 2.562 -3.138 1.00 . A A . 10 HIS HB2 1 1 5 1657 1 1 10 HIS HB3 H -3.501 1.954 -4.456 1.00 . A A . 10 HIS HB3 1 1 5 1658 1 1 10 HIS HD1 H -4.330 -1.014 -4.611 1.00 . A A . 10 HIS HD1 1 1 5 1659 1 1 10 HIS HD2 H -7.077 2.119 -4.116 1.00 . A A . 10 HIS HD2 1 1 5 1660 1 1 10 HIS HE1 H -6.606 -1.807 -5.464 1.00 . A A . 10 HIS HE1 1 1 5 1661 1 1 10 HIS N N -4.023 0.426 -1.420 1.00 . A A . 10 HIS N 1 1 5 1662 1 1 10 HIS ND1 N -5.166 -0.462 -4.605 1.00 . A A . 10 HIS ND1 1 1 5 1663 1 1 10 HIS NE2 N -7.285 0.140 -4.900 1.00 . A A . 10 HIS NE2 1 1 5 1664 1 1 10 HIS O O -1.114 1.878 -2.627 1.00 . A A . 10 HIS O 1 1 5 1665 1 1 11 ILE C C -0.600 2.855 0.397 1.00 . A A . 11 ILE C 1 1 5 1666 1 1 11 ILE CA C -1.673 3.593 -0.376 1.00 . A A . 11 ILE CA 1 1 5 1667 1 1 11 ILE CB C -2.475 4.574 0.496 1.00 . A A . 11 ILE CB 1 1 5 1668 1 1 11 ILE CD1 C -4.209 5.315 -1.329 1.00 . A A . 11 ILE CD1 1 1 5 1669 1 1 11 ILE CG1 C -3.096 5.715 -0.357 1.00 . A A . 11 ILE CG1 1 1 5 1670 1 1 11 ILE CG2 C -1.621 5.213 1.620 1.00 . A A . 11 ILE CG2 1 1 5 1671 1 1 11 ILE H H -3.439 2.536 -0.597 1.00 . A A . 11 ILE H 1 1 5 1672 1 1 11 ILE HA H -1.176 4.153 -1.154 1.00 . A A . 11 ILE HA 1 1 5 1673 1 1 11 ILE HB H -3.301 4.018 0.993 1.00 . A A . 11 ILE HB 1 1 5 1674 1 1 11 ILE HD11 H -4.625 6.218 -1.824 1.00 . A A . 11 ILE HD11 1 1 5 1675 1 1 11 ILE HD12 H -5.031 4.809 -0.782 1.00 . A A . 11 ILE HD12 1 1 5 1676 1 1 11 ILE HD13 H -3.828 4.636 -2.121 1.00 . A A . 11 ILE HD13 1 1 5 1677 1 1 11 ILE HG12 H -3.525 6.465 0.346 1.00 . A A . 11 ILE HG12 1 1 5 1678 1 1 11 ILE HG13 H -2.282 6.219 -0.924 1.00 . A A . 11 ILE HG13 1 1 5 1679 1 1 11 ILE HG21 H -0.733 5.722 1.190 1.00 . A A . 11 ILE HG21 1 1 5 1680 1 1 11 ILE HG22 H -1.286 4.451 2.353 1.00 . A A . 11 ILE HG22 1 1 5 1681 1 1 11 ILE HG23 H -2.224 5.965 2.170 1.00 . A A . 11 ILE HG23 1 1 5 1682 1 1 11 ILE N N -2.536 2.614 -1.012 1.00 . A A . 11 ILE N 1 1 5 1683 1 1 11 ILE O O 0.509 3.358 0.568 1.00 . A A . 11 ILE O 1 1 5 1684 1 1 12 GLN C C 1.208 0.378 0.617 1.00 . A A . 12 GLN C 1 1 5 1685 1 1 12 GLN CA C 0.013 0.699 1.487 1.00 . A A . 12 GLN CA 1 1 5 1686 1 1 12 GLN CB C -0.718 -0.624 1.825 1.00 . A A . 12 GLN CB 1 1 5 1687 1 1 12 GLN CD C -0.736 -2.879 2.942 1.00 . A A . 12 GLN CD 1 1 5 1688 1 1 12 GLN CG C 0.108 -1.636 2.640 1.00 . A A . 12 GLN CG 1 1 5 1689 1 1 12 GLN H H -1.807 1.228 0.668 1.00 . A A . 12 GLN H 1 1 5 1690 1 1 12 GLN HA H 0.355 1.173 2.396 1.00 . A A . 12 GLN HA 1 1 5 1691 1 1 12 GLN HB2 H -1.629 -0.366 2.411 1.00 . A A . 12 GLN HB2 1 1 5 1692 1 1 12 GLN HB3 H -1.057 -1.097 0.878 1.00 . A A . 12 GLN HB3 1 1 5 1693 1 1 12 GLN HE21 H -0.806 -3.373 0.945 1.00 . A A . 12 GLN HE21 1 1 5 1694 1 1 12 GLN HE22 H -1.635 -4.471 1.997 1.00 . A A . 12 GLN HE22 1 1 5 1695 1 1 12 GLN HG2 H 1.021 -1.940 2.086 1.00 . A A . 12 GLN HG2 1 1 5 1696 1 1 12 GLN HG3 H 0.414 -1.172 3.600 1.00 . A A . 12 GLN HG3 1 1 5 1697 1 1 12 GLN N N -0.898 1.605 0.826 1.00 . A A . 12 GLN N 1 1 5 1698 1 1 12 GLN NE2 N -1.091 -3.643 1.864 1.00 . A A . 12 GLN NE2 1 1 5 1699 1 1 12 GLN O O 2.333 0.297 1.107 1.00 . A A . 12 GLN O 1 1 5 1700 1 1 12 GLN OE1 O -1.061 -3.152 4.103 1.00 . A A . 12 GLN OE1 1 1 5 1701 1 1 13 VAL C C 2.876 0.974 -2.029 1.00 . A A . 13 VAL C 1 1 5 1702 1 1 13 VAL CA C 1.961 -0.179 -1.693 1.00 . A A . 13 VAL CA 1 1 5 1703 1 1 13 VAL CB C 1.310 -0.731 -2.961 1.00 . A A . 13 VAL CB 1 1 5 1704 1 1 13 VAL CG1 C 2.369 -1.297 -3.931 1.00 . A A . 13 VAL CG1 1 1 5 1705 1 1 13 VAL CG2 C 0.301 -1.828 -2.563 1.00 . A A . 13 VAL CG2 1 1 5 1706 1 1 13 VAL H H 0.053 0.330 -1.073 1.00 . A A . 13 VAL H 1 1 5 1707 1 1 13 VAL HA H 2.563 -0.943 -1.240 1.00 . A A . 13 VAL HA 1 1 5 1708 1 1 13 VAL HB H 0.748 0.078 -3.481 1.00 . A A . 13 VAL HB 1 1 5 1709 1 1 13 VAL HG11 H 3.016 -0.492 -4.333 1.00 . A A . 13 VAL HG11 1 1 5 1710 1 1 13 VAL HG12 H 1.869 -1.793 -4.790 1.00 . A A . 13 VAL HG12 1 1 5 1711 1 1 13 VAL HG13 H 3.005 -2.046 -3.414 1.00 . A A . 13 VAL HG13 1 1 5 1712 1 1 13 VAL HG21 H 0.802 -2.619 -1.966 1.00 . A A . 13 VAL HG21 1 1 5 1713 1 1 13 VAL HG22 H -0.132 -2.294 -3.474 1.00 . A A . 13 VAL HG22 1 1 5 1714 1 1 13 VAL HG23 H -0.535 -1.407 -1.970 1.00 . A A . 13 VAL HG23 1 1 5 1715 1 1 13 VAL N N 0.974 0.216 -0.710 1.00 . A A . 13 VAL N 1 1 5 1716 1 1 13 VAL O O 4.036 0.778 -2.384 1.00 . A A . 13 VAL O 1 1 5 1717 1 1 14 LYS C C 4.171 3.671 -1.145 1.00 . A A . 14 LYS C 1 1 5 1718 1 1 14 LYS CA C 3.104 3.433 -2.180 1.00 . A A . 14 LYS CA 1 1 5 1719 1 1 14 LYS CB C 2.197 4.685 -2.211 1.00 . A A . 14 LYS CB 1 1 5 1720 1 1 14 LYS CD C 0.140 5.812 -3.239 1.00 . A A . 14 LYS CD 1 1 5 1721 1 1 14 LYS CE C -1.084 5.624 -4.146 1.00 . A A . 14 LYS CE 1 1 5 1722 1 1 14 LYS CG C 1.080 4.598 -3.260 1.00 . A A . 14 LYS CG 1 1 5 1723 1 1 14 LYS H H 1.441 2.315 -1.552 1.00 . A A . 14 LYS H 1 1 5 1724 1 1 14 LYS HA H 3.582 3.314 -3.143 1.00 . A A . 14 LYS HA 1 1 5 1725 1 1 14 LYS HB2 H 1.726 4.829 -1.213 1.00 . A A . 14 LYS HB2 1 1 5 1726 1 1 14 LYS HB3 H 2.812 5.586 -2.433 1.00 . A A . 14 LYS HB3 1 1 5 1727 1 1 14 LYS HD2 H -0.207 5.968 -2.193 1.00 . A A . 14 LYS HD2 1 1 5 1728 1 1 14 LYS HD3 H 0.708 6.716 -3.550 1.00 . A A . 14 LYS HD3 1 1 5 1729 1 1 14 LYS HE2 H -0.771 5.511 -5.205 1.00 . A A . 14 LYS HE2 1 1 5 1730 1 1 14 LYS HE3 H -1.662 4.728 -3.834 1.00 . A A . 14 LYS HE3 1 1 5 1731 1 1 14 LYS HG2 H 1.527 4.494 -4.273 1.00 . A A . 14 LYS HG2 1 1 5 1732 1 1 14 LYS HG3 H 0.474 3.690 -3.059 1.00 . A A . 14 LYS HG3 1 1 5 1733 1 1 14 LYS HZ1 H -2.318 6.908 -3.082 1.00 . A A . 14 LYS HZ1 1 1 5 1734 1 1 14 LYS HZ2 H -2.810 6.640 -4.685 1.00 . A A . 14 LYS HZ2 1 1 5 1735 1 1 14 LYS HZ3 H -1.482 7.648 -4.363 1.00 . A A . 14 LYS HZ3 1 1 5 1736 1 1 14 LYS N N 2.372 2.216 -1.888 1.00 . A A . 14 LYS N 1 1 5 1737 1 1 14 LYS NZ N -1.991 6.792 -4.063 1.00 . A A . 14 LYS NZ 1 1 5 1738 1 1 14 LYS O O 5.277 4.094 -1.474 1.00 . A A . 14 LYS O 1 1 5 1739 1 1 15 VAL C C 5.721 2.380 1.288 1.00 . A A . 15 VAL C 1 1 5 1740 1 1 15 VAL CA C 4.729 3.523 1.276 1.00 . A A . 15 VAL CA 1 1 5 1741 1 1 15 VAL CB C 3.921 3.577 2.571 1.00 . A A . 15 VAL CB 1 1 5 1742 1 1 15 VAL CG1 C 4.828 3.607 3.821 1.00 . A A . 15 VAL CG1 1 1 5 1743 1 1 15 VAL CG2 C 3.018 4.830 2.526 1.00 . A A . 15 VAL CG2 1 1 5 1744 1 1 15 VAL H H 2.944 3.022 0.358 1.00 . A A . 15 VAL H 1 1 5 1745 1 1 15 VAL HA H 5.277 4.447 1.163 1.00 . A A . 15 VAL HA 1 1 5 1746 1 1 15 VAL HB H 3.263 2.681 2.633 1.00 . A A . 15 VAL HB 1 1 5 1747 1 1 15 VAL HG11 H 5.384 2.654 3.937 1.00 . A A . 15 VAL HG11 1 1 5 1748 1 1 15 VAL HG12 H 4.210 3.752 4.732 1.00 . A A . 15 VAL HG12 1 1 5 1749 1 1 15 VAL HG13 H 5.554 4.444 3.751 1.00 . A A . 15 VAL HG13 1 1 5 1750 1 1 15 VAL HG21 H 3.639 5.746 2.441 1.00 . A A . 15 VAL HG21 1 1 5 1751 1 1 15 VAL HG22 H 2.418 4.898 3.458 1.00 . A A . 15 VAL HG22 1 1 5 1752 1 1 15 VAL HG23 H 2.318 4.797 1.669 1.00 . A A . 15 VAL HG23 1 1 5 1753 1 1 15 VAL N N 3.852 3.372 0.136 1.00 . A A . 15 VAL N 1 1 5 1754 1 1 15 VAL O O 6.854 2.535 1.745 1.00 . A A . 15 VAL O 1 1 5 1755 1 1 16 PHE C C 7.268 0.210 -0.326 1.00 . A A . 16 PHE C 1 1 5 1756 1 1 16 PHE CA C 6.134 0.014 0.654 1.00 . A A . 16 PHE CA 1 1 5 1757 1 1 16 PHE CB C 5.277 -1.204 0.215 1.00 . A A . 16 PHE CB 1 1 5 1758 1 1 16 PHE CD1 C 6.260 -3.004 1.677 1.00 . A A . 16 PHE CD1 1 1 5 1759 1 1 16 PHE CD2 C 6.405 -3.273 -0.724 1.00 . A A . 16 PHE CD2 1 1 5 1760 1 1 16 PHE CE1 C 6.908 -4.228 1.858 1.00 . A A . 16 PHE CE1 1 1 5 1761 1 1 16 PHE CE2 C 7.059 -4.498 -0.547 1.00 . A A . 16 PHE CE2 1 1 5 1762 1 1 16 PHE CG C 5.997 -2.515 0.389 1.00 . A A . 16 PHE CG 1 1 5 1763 1 1 16 PHE CZ C 7.307 -4.979 0.745 1.00 . A A . 16 PHE CZ 1 1 5 1764 1 1 16 PHE H H 4.404 1.113 0.362 1.00 . A A . 16 PHE H 1 1 5 1765 1 1 16 PHE HA H 6.547 -0.162 1.635 1.00 . A A . 16 PHE HA 1 1 5 1766 1 1 16 PHE HB2 H 4.367 -1.254 0.850 1.00 . A A . 16 PHE HB2 1 1 5 1767 1 1 16 PHE HB3 H 4.954 -1.103 -0.843 1.00 . A A . 16 PHE HB3 1 1 5 1768 1 1 16 PHE HD1 H 5.960 -2.432 2.540 1.00 . A A . 16 PHE HD1 1 1 5 1769 1 1 16 PHE HD2 H 6.210 -2.907 -1.722 1.00 . A A . 16 PHE HD2 1 1 5 1770 1 1 16 PHE HE1 H 7.100 -4.586 2.857 1.00 . A A . 16 PHE HE1 1 1 5 1771 1 1 16 PHE HE2 H 7.368 -5.075 -1.407 1.00 . A A . 16 PHE HE2 1 1 5 1772 1 1 16 PHE HZ H 7.811 -5.924 0.881 1.00 . A A . 16 PHE HZ 1 1 5 1773 1 1 16 PHE N N 5.322 1.206 0.741 1.00 . A A . 16 PHE N 1 1 5 1774 1 1 16 PHE O O 8.387 -0.236 -0.081 1.00 . A A . 16 PHE O 1 1 5 1775 1 1 17 ASN C C 8.792 2.330 -2.216 1.00 . A A . 17 ASN C 1 1 5 1776 1 1 17 ASN CA C 7.931 1.132 -2.529 1.00 . A A . 17 ASN CA 1 1 5 1777 1 1 17 ASN CB C 7.226 1.415 -3.881 1.00 . A A . 17 ASN CB 1 1 5 1778 1 1 17 ASN CG C 6.458 0.177 -4.369 1.00 . A A . 17 ASN CG 1 1 5 1779 1 1 17 ASN H H 6.073 1.263 -1.618 1.00 . A A . 17 ASN H 1 1 5 1780 1 1 17 ASN HA H 8.579 0.270 -2.621 1.00 . A A . 17 ASN HA 1 1 5 1781 1 1 17 ASN HB2 H 6.520 2.266 -3.761 1.00 . A A . 17 ASN HB2 1 1 5 1782 1 1 17 ASN HB3 H 7.977 1.679 -4.656 1.00 . A A . 17 ASN HB3 1 1 5 1783 1 1 17 ASN HD21 H 5.439 1.330 -5.738 1.00 . A A . 17 ASN HD21 1 1 5 1784 1 1 17 ASN HD22 H 5.025 -0.353 -5.748 1.00 . A A . 17 ASN HD22 1 1 5 1785 1 1 17 ASN N N 6.988 0.899 -1.458 1.00 . A A . 17 ASN N 1 1 5 1786 1 1 17 ASN ND2 N 5.561 0.405 -5.376 1.00 . A A . 17 ASN ND2 1 1 5 1787 1 1 17 ASN O O 9.870 2.481 -2.786 1.00 . A A . 17 ASN O 1 1 5 1788 1 1 17 ASN OD1 O 6.650 -0.944 -3.885 1.00 . A A . 17 ASN OD1 1 1 5 1789 1 1 18 HIS C C 10.196 4.013 0.021 1.00 . A A . 18 HIS C 1 1 5 1790 1 1 18 HIS CA C 9.050 4.393 -0.882 1.00 . A A . 18 HIS CA 1 1 5 1791 1 1 18 HIS CB C 8.137 5.394 -0.138 1.00 . A A . 18 HIS CB 1 1 5 1792 1 1 18 HIS CD2 C 9.468 7.014 1.373 1.00 . A A . 18 HIS CD2 1 1 5 1793 1 1 18 HIS CE1 C 9.775 8.651 0.033 1.00 . A A . 18 HIS CE1 1 1 5 1794 1 1 18 HIS CG C 8.837 6.675 0.219 1.00 . A A . 18 HIS CG 1 1 5 1795 1 1 18 HIS H H 7.451 3.070 -0.848 1.00 . A A . 18 HIS H 1 1 5 1796 1 1 18 HIS HA H 9.449 4.882 -1.757 1.00 . A A . 18 HIS HA 1 1 5 1797 1 1 18 HIS HB2 H 7.268 5.642 -0.784 1.00 . A A . 18 HIS HB2 1 1 5 1798 1 1 18 HIS HB3 H 7.743 4.929 0.792 1.00 . A A . 18 HIS HB3 1 1 5 1799 1 1 18 HIS HD1 H 8.721 7.788 -1.591 1.00 . A A . 18 HIS HD1 1 1 5 1800 1 1 18 HIS HD2 H 9.576 6.432 2.278 1.00 . A A . 18 HIS HD2 1 1 5 1801 1 1 18 HIS HE1 H 10.090 9.594 -0.409 1.00 . A A . 18 HIS HE1 1 1 5 1802 1 1 18 HIS N N 8.334 3.208 -1.292 1.00 . A A . 18 HIS N 1 1 5 1803 1 1 18 HIS ND1 N 9.043 7.730 -0.645 1.00 . A A . 18 HIS ND1 1 1 5 1804 1 1 18 HIS NE2 N 10.057 8.259 1.262 1.00 . A A . 18 HIS NE2 1 1 5 1805 1 1 18 HIS O O 11.325 4.458 -0.183 1.00 . A A . 18 HIS O 1 1 5 1806 1 1 19 GLY C C 11.768 1.667 1.527 1.00 . A A . 19 GLY C 1 1 5 1807 1 1 19 GLY CA C 10.887 2.771 2.032 1.00 . A A . 19 GLY CA 1 1 5 1808 1 1 19 GLY H H 9.000 2.802 1.170 1.00 . A A . 19 GLY H 1 1 5 1809 1 1 19 GLY HA2 H 11.503 3.625 2.281 1.00 . A A . 19 GLY HA2 1 1 5 1810 1 1 19 GLY HA3 H 10.326 2.396 2.874 1.00 . A A . 19 GLY HA3 1 1 5 1811 1 1 19 GLY N N 9.918 3.167 1.040 1.00 . A A . 19 GLY N 1 1 5 1812 1 1 19 GLY O O 12.935 1.587 1.908 1.00 . A A . 19 GLY O 1 1 5 1813 1 1 20 GLU C C 12.233 -1.399 1.043 1.00 . A A . 20 GLU C 1 1 5 1814 1 1 20 GLU CA C 11.866 -0.341 0.032 1.00 . A A . 20 GLU CA 1 1 5 1815 1 1 20 GLU CB C 13.086 0.023 -0.855 1.00 . A A . 20 GLU CB 1 1 5 1816 1 1 20 GLU CD C 13.946 1.369 -2.838 1.00 . A A . 20 GLU CD 1 1 5 1817 1 1 20 GLU CG C 12.740 1.050 -1.951 1.00 . A A . 20 GLU CG 1 1 5 1818 1 1 20 GLU H H 10.253 0.897 0.389 1.00 . A A . 20 GLU H 1 1 5 1819 1 1 20 GLU HA H 11.121 -0.776 -0.617 1.00 . A A . 20 GLU HA 1 1 5 1820 1 1 20 GLU HB2 H 13.899 0.432 -0.216 1.00 . A A . 20 GLU HB2 1 1 5 1821 1 1 20 GLU HB3 H 13.461 -0.901 -1.349 1.00 . A A . 20 GLU HB3 1 1 5 1822 1 1 20 GLU HG2 H 11.923 0.643 -2.586 1.00 . A A . 20 GLU HG2 1 1 5 1823 1 1 20 GLU HG3 H 12.386 1.994 -1.482 1.00 . A A . 20 GLU HG3 1 1 5 1824 1 1 20 GLU N N 11.206 0.788 0.658 1.00 . A A . 20 GLU N 1 1 5 1825 1 1 20 GLU O O 13.261 -2.064 0.926 1.00 . A A . 20 GLU O 1 1 5 1826 1 1 20 GLU OE1 O 15.047 0.805 -2.601 1.00 . A A . 20 GLU OE1 1 1 5 1827 1 1 20 GLU OE2 O 13.771 2.192 -3.777 1.00 . A A . 20 GLU OE2 1 1 5 1828 1 1 21 HIS C C 10.886 -3.820 2.762 1.00 . A A . 21 HIS C 1 1 5 1829 1 1 21 HIS CA C 11.536 -2.514 3.137 1.00 . A A . 21 HIS CA 1 1 5 1830 1 1 21 HIS CB C 10.971 -1.988 4.473 1.00 . A A . 21 HIS CB 1 1 5 1831 1 1 21 HIS CD2 C 9.598 0.183 4.409 1.00 . A A . 21 HIS CD2 1 1 5 1832 1 1 21 HIS CE1 C 7.672 -0.555 3.857 1.00 . A A . 21 HIS CE1 1 1 5 1833 1 1 21 HIS CG C 9.729 -1.165 4.305 1.00 . A A . 21 HIS CG 1 1 5 1834 1 1 21 HIS H H 10.546 -1.020 2.149 1.00 . A A . 21 HIS H 1 1 5 1835 1 1 21 HIS HA H 12.587 -2.668 3.275 1.00 . A A . 21 HIS HA 1 1 5 1836 1 1 21 HIS HB2 H 10.803 -2.803 5.210 1.00 . A A . 21 HIS HB2 1 1 5 1837 1 1 21 HIS HB3 H 11.731 -1.305 4.912 1.00 . A A . 21 HIS HB3 1 1 5 1838 1 1 21 HIS HD1 H 8.249 -2.594 3.772 1.00 . A A . 21 HIS HD1 1 1 5 1839 1 1 21 HIS HD2 H 10.363 0.909 4.648 1.00 . A A . 21 HIS HD2 1 1 5 1840 1 1 21 HIS HE1 H 6.621 -0.632 3.587 1.00 . A A . 21 HIS HE1 1 1 5 1841 1 1 21 HIS N N 11.365 -1.575 2.065 1.00 . A A . 21 HIS N 1 1 5 1842 1 1 21 HIS ND1 N 8.488 -1.636 3.941 1.00 . A A . 21 HIS ND1 1 1 5 1843 1 1 21 HIS NE2 N 8.302 0.571 4.127 1.00 . A A . 21 HIS NE2 1 1 5 1844 1 1 21 HIS O O 10.199 -3.919 1.747 1.00 . A A . 21 HIS O 1 1 5 1845 1 1 22 ILE C C 9.346 -6.350 4.058 1.00 . A A . 22 ILE C 1 1 5 1846 1 1 22 ILE CA C 10.668 -6.216 3.368 1.00 . A A . 22 ILE CA 1 1 5 1847 1 1 22 ILE CB C 11.660 -7.266 3.870 1.00 . A A . 22 ILE CB 1 1 5 1848 1 1 22 ILE CD1 C 14.139 -7.999 3.695 1.00 . A A . 22 ILE CD1 1 1 5 1849 1 1 22 ILE CG1 C 13.050 -7.028 3.222 1.00 . A A . 22 ILE CG1 1 1 5 1850 1 1 22 ILE CG2 C 11.112 -8.682 3.571 1.00 . A A . 22 ILE CG2 1 1 5 1851 1 1 22 ILE H H 11.681 -4.742 4.410 1.00 . A A . 22 ILE H 1 1 5 1852 1 1 22 ILE HA H 10.501 -6.357 2.323 1.00 . A A . 22 ILE HA 1 1 5 1853 1 1 22 ILE HB H 11.785 -7.163 4.972 1.00 . A A . 22 ILE HB 1 1 5 1854 1 1 22 ILE HD11 H 15.119 -7.712 3.257 1.00 . A A . 22 ILE HD11 1 1 5 1855 1 1 22 ILE HD12 H 13.910 -9.038 3.381 1.00 . A A . 22 ILE HD12 1 1 5 1856 1 1 22 ILE HD13 H 14.227 -7.970 4.802 1.00 . A A . 22 ILE HD13 1 1 5 1857 1 1 22 ILE HG12 H 12.951 -7.107 2.117 1.00 . A A . 22 ILE HG12 1 1 5 1858 1 1 22 ILE HG13 H 13.397 -5.998 3.459 1.00 . A A . 22 ILE HG13 1 1 5 1859 1 1 22 ILE HG21 H 10.143 -8.857 4.082 1.00 . A A . 22 ILE HG21 1 1 5 1860 1 1 22 ILE HG22 H 11.818 -9.460 3.927 1.00 . A A . 22 ILE HG22 1 1 5 1861 1 1 22 ILE HG23 H 10.964 -8.812 2.477 1.00 . A A . 22 ILE HG23 1 1 5 1862 1 1 22 ILE N N 11.128 -4.864 3.590 1.00 . A A . 22 ILE N 1 1 5 1863 1 1 22 ILE O O 8.344 -6.747 3.467 1.00 . A A . 22 ILE O 1 1 5 1864 1 1 23 HIS C C 7.638 -4.578 6.160 1.00 . A A . 23 HIS C 1 1 5 1865 1 1 23 HIS CA C 8.211 -5.965 6.218 1.00 . A A . 23 HIS CA 1 1 5 1866 1 1 23 HIS CB C 8.573 -6.325 7.680 1.00 . A A . 23 HIS CB 1 1 5 1867 1 1 23 HIS CD2 C 6.503 -7.295 8.914 1.00 . A A . 23 HIS CD2 1 1 5 1868 1 1 23 HIS CE1 C 5.909 -5.595 10.069 1.00 . A A . 23 HIS CE1 1 1 5 1869 1 1 23 HIS CG C 7.404 -6.316 8.631 1.00 . A A . 23 HIS CG 1 1 5 1870 1 1 23 HIS H H 10.208 -5.708 5.744 1.00 . A A . 23 HIS H 1 1 5 1871 1 1 23 HIS HA H 7.500 -6.674 5.843 1.00 . A A . 23 HIS HA 1 1 5 1872 1 1 23 HIS HB2 H 9.000 -7.353 7.684 1.00 . A A . 23 HIS HB2 1 1 5 1873 1 1 23 HIS HB3 H 9.359 -5.634 8.057 1.00 . A A . 23 HIS HB3 1 1 5 1874 1 1 23 HIS HD1 H 7.466 -4.329 9.388 1.00 . A A . 23 HIS HD1 1 1 5 1875 1 1 23 HIS HD2 H 6.441 -8.306 8.531 1.00 . A A . 23 HIS HD2 1 1 5 1876 1 1 23 HIS HE1 H 5.381 -4.920 10.739 1.00 . A A . 23 HIS HE1 1 1 5 1877 1 1 23 HIS N N 9.351 -5.992 5.352 1.00 . A A . 23 HIS N 1 1 5 1878 1 1 23 HIS ND1 N 7.016 -5.223 9.378 1.00 . A A . 23 HIS ND1 1 1 5 1879 1 1 23 HIS NE2 N 5.560 -6.843 9.820 1.00 . A A . 23 HIS NE2 1 1 5 1880 1 1 23 HIS O O 8.363 -3.599 6.330 1.00 . A A . 23 HIS O 1 1 5 1881 1 1 24 HIS C C 5.345 -2.659 7.237 1.00 . A A . 24 HIS C 1 1 5 1882 1 1 24 HIS CA C 5.630 -3.200 5.819 1.00 . A A . 24 HIS CA 1 1 5 1883 1 1 24 HIS CB C 4.306 -3.270 5.020 1.00 . A A . 24 HIS CB 1 1 5 1884 1 1 24 HIS CD2 C 2.630 -1.329 5.453 1.00 . A A . 24 HIS CD2 1 1 5 1885 1 1 24 HIS CE1 C 3.384 0.135 4.087 1.00 . A A . 24 HIS CE1 1 1 5 1886 1 1 24 HIS CG C 3.678 -1.916 4.813 1.00 . A A . 24 HIS CG 1 1 5 1887 1 1 24 HIS H H 5.739 -5.277 5.782 1.00 . A A . 24 HIS H 1 1 5 1888 1 1 24 HIS HA H 6.285 -2.506 5.315 1.00 . A A . 24 HIS HA 1 1 5 1889 1 1 24 HIS HB2 H 4.510 -3.716 4.023 1.00 . A A . 24 HIS HB2 1 1 5 1890 1 1 24 HIS HB3 H 3.581 -3.932 5.538 1.00 . A A . 24 HIS HB3 1 1 5 1891 1 1 24 HIS HD1 H 4.937 -1.081 3.317 1.00 . A A . 24 HIS HD1 1 1 5 1892 1 1 24 HIS HD2 H 1.986 -1.725 6.227 1.00 . A A . 24 HIS HD2 1 1 5 1893 1 1 24 HIS HE1 H 3.540 1.042 3.510 1.00 . A A . 24 HIS HE1 1 1 5 1894 1 1 24 HIS N N 6.310 -4.471 5.915 1.00 . A A . 24 HIS N 1 1 5 1895 1 1 24 HIS ND1 N 4.158 -0.967 3.937 1.00 . A A . 24 HIS ND1 1 1 5 1896 1 1 24 HIS NE2 N 2.444 -0.036 4.996 1.00 . A A . 24 HIS NE2 1 1 5 1897 1 1 24 HIS O O 5.876 -1.609 7.616 1.00 . A A . 24 HIS O 1 1 5 1898 1 1 25 NH2 HN1 H 4.099 -4.241 7.660 1.00 . A A . 25 NH2 HN1 1 1 5 1899 1 1 25 NH2 HN2 H 4.272 -3.085 8.939 1.00 . A A . 25 NH2 HN2 1 1 5 1900 1 1 25 NH2 N N 4.494 -3.394 8.015 1.00 . A A . 25 NH2 N 1 1 6 1901 1 1 1 ACE C C -13.839 5.167 -6.436 1.00 . A A . 1 ACE C 1 1 6 1902 1 1 1 ACE CH3 C -12.612 5.473 -5.641 1.00 . A A . 1 ACE CH3 1 1 6 1903 1 1 1 ACE H1 H -12.663 6.507 -5.237 1.00 . A A . 1 ACE H1 1 1 6 1904 1 1 1 ACE H2 H -12.520 4.763 -4.789 1.00 . A A . 1 ACE H2 1 1 6 1905 1 1 1 ACE H3 H -11.703 5.386 -6.276 1.00 . A A . 1 ACE H3 1 1 6 1906 1 1 1 ACE O O -14.942 5.558 -6.060 1.00 . A A . 1 ACE O 1 1 6 1907 1 1 2 PHE C C -15.322 2.810 -8.067 1.00 . A A . 2 PHE C 1 1 6 1908 1 1 2 PHE CA C -14.729 4.125 -8.484 1.00 . A A . 2 PHE CA 1 1 6 1909 1 1 2 PHE CB C -14.258 3.995 -9.955 1.00 . A A . 2 PHE CB 1 1 6 1910 1 1 2 PHE CD1 C -14.598 6.400 -10.653 1.00 . A A . 2 PHE CD1 1 1 6 1911 1 1 2 PHE CD2 C -12.351 5.495 -10.683 1.00 . A A . 2 PHE CD2 1 1 6 1912 1 1 2 PHE CE1 C -14.107 7.635 -11.095 1.00 . A A . 2 PHE CE1 1 1 6 1913 1 1 2 PHE CE2 C -11.859 6.729 -11.124 1.00 . A A . 2 PHE CE2 1 1 6 1914 1 1 2 PHE CG C -13.725 5.317 -10.440 1.00 . A A . 2 PHE CG 1 1 6 1915 1 1 2 PHE CZ C -12.737 7.800 -11.329 1.00 . A A . 2 PHE CZ 1 1 6 1916 1 1 2 PHE H H -12.755 4.135 -7.845 1.00 . A A . 2 PHE H 1 1 6 1917 1 1 2 PHE HA H -15.496 4.886 -8.422 1.00 . A A . 2 PHE HA 1 1 6 1918 1 1 2 PHE HB2 H -13.455 3.232 -10.044 1.00 . A A . 2 PHE HB2 1 1 6 1919 1 1 2 PHE HB3 H -15.105 3.710 -10.615 1.00 . A A . 2 PHE HB3 1 1 6 1920 1 1 2 PHE HD1 H -15.656 6.281 -10.474 1.00 . A A . 2 PHE HD1 1 1 6 1921 1 1 2 PHE HD2 H -11.668 4.675 -10.526 1.00 . A A . 2 PHE HD2 1 1 6 1922 1 1 2 PHE HE1 H -14.786 8.460 -11.254 1.00 . A A . 2 PHE HE1 1 1 6 1923 1 1 2 PHE HE2 H -10.802 6.855 -11.306 1.00 . A A . 2 PHE HE2 1 1 6 1924 1 1 2 PHE HZ H -12.358 8.752 -11.669 1.00 . A A . 2 PHE HZ 1 1 6 1925 1 1 2 PHE N N -13.660 4.452 -7.572 1.00 . A A . 2 PHE N 1 1 6 1926 1 1 2 PHE O O -14.703 1.761 -8.243 1.00 . A A . 2 PHE O 1 1 6 1927 1 1 3 GLU C C -16.825 1.272 -5.729 1.00 . A A . 3 GLU C 1 1 6 1928 1 1 3 GLU CA C -17.383 1.799 -7.019 1.00 . A A . 3 GLU CA 1 1 6 1929 1 1 3 GLU CB C -17.650 0.661 -8.041 1.00 . A A . 3 GLU CB 1 1 6 1930 1 1 3 GLU CD C -18.650 0.017 -10.289 1.00 . A A . 3 GLU CD 1 1 6 1931 1 1 3 GLU CG C -18.370 1.161 -9.310 1.00 . A A . 3 GLU CG 1 1 6 1932 1 1 3 GLU H H -16.939 3.781 -7.339 1.00 . A A . 3 GLU H 1 1 6 1933 1 1 3 GLU HA H -18.347 2.228 -6.783 1.00 . A A . 3 GLU HA 1 1 6 1934 1 1 3 GLU HB2 H -16.693 0.183 -8.340 1.00 . A A . 3 GLU HB2 1 1 6 1935 1 1 3 GLU HB3 H -18.287 -0.112 -7.554 1.00 . A A . 3 GLU HB3 1 1 6 1936 1 1 3 GLU HG2 H -19.334 1.633 -9.021 1.00 . A A . 3 GLU HG2 1 1 6 1937 1 1 3 GLU HG3 H -17.742 1.923 -9.819 1.00 . A A . 3 GLU HG3 1 1 6 1938 1 1 3 GLU N N -16.550 2.884 -7.492 1.00 . A A . 3 GLU N 1 1 6 1939 1 1 3 GLU O O -17.214 1.703 -4.644 1.00 . A A . 3 GLU O 1 1 6 1940 1 1 3 GLU OE1 O -18.283 -1.150 -9.990 1.00 . A A . 3 GLU OE1 1 1 6 1941 1 1 3 GLU OE2 O -19.242 0.308 -11.364 1.00 . A A . 3 GLU OE2 1 1 6 1942 1 1 4 ASP C C -13.803 -0.479 -5.184 1.00 . A A . 4 ASP C 1 1 6 1943 1 1 4 ASP CA C -15.234 -0.343 -4.756 1.00 . A A . 4 ASP CA 1 1 6 1944 1 1 4 ASP CB C -15.807 -1.755 -4.461 1.00 . A A . 4 ASP CB 1 1 6 1945 1 1 4 ASP CG C -17.246 -1.641 -3.956 1.00 . A A . 4 ASP CG 1 1 6 1946 1 1 4 ASP H H -15.574 0.095 -6.772 1.00 . A A . 4 ASP H 1 1 6 1947 1 1 4 ASP HA H -15.266 0.282 -3.873 1.00 . A A . 4 ASP HA 1 1 6 1948 1 1 4 ASP HB2 H -15.792 -2.373 -5.385 1.00 . A A . 4 ASP HB2 1 1 6 1949 1 1 4 ASP HB3 H -15.200 -2.265 -3.682 1.00 . A A . 4 ASP HB3 1 1 6 1950 1 1 4 ASP N N -15.884 0.322 -5.854 1.00 . A A . 4 ASP N 1 1 6 1951 1 1 4 ASP O O -13.330 -1.573 -5.487 1.00 . A A . 4 ASP O 1 1 6 1952 1 1 4 ASP OD1 O -17.441 -1.065 -2.852 1.00 . A A . 4 ASP OD1 1 1 6 1953 1 1 4 ASP OD2 O -18.166 -2.128 -4.666 1.00 . A A . 4 ASP OD2 1 1 6 1954 1 1 5 LEU C C -10.923 0.757 -4.304 1.00 . A A . 5 LEU C 1 1 6 1955 1 1 5 LEU CA C -11.691 0.719 -5.603 1.00 . A A . 5 LEU CA 1 1 6 1956 1 1 5 LEU CB C -11.398 1.987 -6.444 1.00 . A A . 5 LEU CB 1 1 6 1957 1 1 5 LEU CD1 C -10.198 3.027 -8.414 1.00 . A A . 5 LEU CD1 1 1 6 1958 1 1 5 LEU CD2 C -8.816 2.229 -6.457 1.00 . A A . 5 LEU CD2 1 1 6 1959 1 1 5 LEU CG C -10.095 1.988 -7.281 1.00 . A A . 5 LEU CG 1 1 6 1960 1 1 5 LEU H H -13.490 1.540 -4.975 1.00 . A A . 5 LEU H 1 1 6 1961 1 1 5 LEU HA H -11.456 -0.144 -6.204 1.00 . A A . 5 LEU HA 1 1 6 1962 1 1 5 LEU HB2 H -12.237 2.069 -7.173 1.00 . A A . 5 LEU HB2 1 1 6 1963 1 1 5 LEU HB3 H -11.429 2.895 -5.804 1.00 . A A . 5 LEU HB3 1 1 6 1964 1 1 5 LEU HD11 H -9.288 2.996 -9.051 1.00 . A A . 5 LEU HD11 1 1 6 1965 1 1 5 LEU HD12 H -10.303 4.049 -7.991 1.00 . A A . 5 LEU HD12 1 1 6 1966 1 1 5 LEU HD13 H -11.082 2.815 -9.052 1.00 . A A . 5 LEU HD13 1 1 6 1967 1 1 5 LEU HD21 H -8.637 1.396 -5.749 1.00 . A A . 5 LEU HD21 1 1 6 1968 1 1 5 LEU HD22 H -8.898 3.177 -5.886 1.00 . A A . 5 LEU HD22 1 1 6 1969 1 1 5 LEU HD23 H -7.937 2.299 -7.132 1.00 . A A . 5 LEU HD23 1 1 6 1970 1 1 5 LEU HG H -10.005 0.987 -7.765 1.00 . A A . 5 LEU HG 1 1 6 1971 1 1 5 LEU N N -13.080 0.665 -5.221 1.00 . A A . 5 LEU N 1 1 6 1972 1 1 5 LEU O O -11.172 1.674 -3.521 1.00 . A A . 5 LEU O 1 1 6 1973 1 1 6 PRO C C -8.066 0.848 -2.970 1.00 . A A . 6 PRO C 1 1 6 1974 1 1 6 PRO CA C -9.213 -0.119 -2.779 1.00 . A A . 6 PRO CA 1 1 6 1975 1 1 6 PRO CB C -8.719 -1.563 -2.603 1.00 . A A . 6 PRO CB 1 1 6 1976 1 1 6 PRO CD C -9.798 -1.408 -4.742 1.00 . A A . 6 PRO CD 1 1 6 1977 1 1 6 PRO CG C -8.656 -2.132 -4.026 1.00 . A A . 6 PRO CG 1 1 6 1978 1 1 6 PRO HA H -9.804 0.200 -1.933 1.00 . A A . 6 PRO HA 1 1 6 1979 1 1 6 PRO HB2 H -7.755 -1.643 -2.064 1.00 . A A . 6 PRO HB2 1 1 6 1980 1 1 6 PRO HB3 H -9.490 -2.131 -2.033 1.00 . A A . 6 PRO HB3 1 1 6 1981 1 1 6 PRO HD2 H -9.523 -1.176 -5.793 1.00 . A A . 6 PRO HD2 1 1 6 1982 1 1 6 PRO HD3 H -10.726 -2.019 -4.707 1.00 . A A . 6 PRO HD3 1 1 6 1983 1 1 6 PRO HG2 H -7.687 -1.852 -4.495 1.00 . A A . 6 PRO HG2 1 1 6 1984 1 1 6 PRO HG3 H -8.772 -3.233 -4.046 1.00 . A A . 6 PRO HG3 1 1 6 1985 1 1 6 PRO N N -10.021 -0.174 -3.986 1.00 . A A . 6 PRO N 1 1 6 1986 1 1 6 PRO O O -6.961 0.424 -3.297 1.00 . A A . 6 PRO O 1 1 6 1987 1 1 7 ASN C C -6.514 3.251 -1.592 1.00 . A A . 7 ASN C 1 1 6 1988 1 1 7 ASN CA C -7.322 3.207 -2.865 1.00 . A A . 7 ASN CA 1 1 6 1989 1 1 7 ASN CB C -7.994 4.583 -3.124 1.00 . A A . 7 ASN CB 1 1 6 1990 1 1 7 ASN CG C -6.972 5.659 -3.526 1.00 . A A . 7 ASN CG 1 1 6 1991 1 1 7 ASN H H -9.228 2.472 -2.501 1.00 . A A . 7 ASN H 1 1 6 1992 1 1 7 ASN HA H -6.666 2.947 -3.680 1.00 . A A . 7 ASN HA 1 1 6 1993 1 1 7 ASN HB2 H -8.729 4.474 -3.950 1.00 . A A . 7 ASN HB2 1 1 6 1994 1 1 7 ASN HB3 H -8.546 4.919 -2.222 1.00 . A A . 7 ASN HB3 1 1 6 1995 1 1 7 ASN HD21 H -6.561 4.669 -5.284 1.00 . A A . 7 ASN HD21 1 1 6 1996 1 1 7 ASN HD22 H -5.667 6.135 -5.043 1.00 . A A . 7 ASN HD22 1 1 6 1997 1 1 7 ASN N N -8.313 2.161 -2.748 1.00 . A A . 7 ASN N 1 1 6 1998 1 1 7 ASN ND2 N -6.343 5.470 -4.725 1.00 . A A . 7 ASN ND2 1 1 6 1999 1 1 7 ASN O O -5.363 3.679 -1.581 1.00 . A A . 7 ASN O 1 1 6 2000 1 1 7 ASN OD1 O -6.751 6.625 -2.786 1.00 . A A . 7 ASN OD1 1 1 6 2001 1 1 8 PHE C C -5.663 1.352 0.834 1.00 . A A . 8 PHE C 1 1 6 2002 1 1 8 PHE CA C -6.551 2.577 0.814 1.00 . A A . 8 PHE CA 1 1 6 2003 1 1 8 PHE CB C -7.647 2.409 1.904 1.00 . A A . 8 PHE CB 1 1 6 2004 1 1 8 PHE CD1 C -8.699 0.099 1.765 1.00 . A A . 8 PHE CD1 1 1 6 2005 1 1 8 PHE CD2 C -9.919 1.981 0.851 1.00 . A A . 8 PHE CD2 1 1 6 2006 1 1 8 PHE CE1 C -9.735 -0.760 1.379 1.00 . A A . 8 PHE CE1 1 1 6 2007 1 1 8 PHE CE2 C -10.957 1.124 0.467 1.00 . A A . 8 PHE CE2 1 1 6 2008 1 1 8 PHE CG C -8.773 1.479 1.497 1.00 . A A . 8 PHE CG 1 1 6 2009 1 1 8 PHE CZ C -10.866 -0.247 0.730 1.00 . A A . 8 PHE CZ 1 1 6 2010 1 1 8 PHE H H -8.062 2.427 -0.590 1.00 . A A . 8 PHE H 1 1 6 2011 1 1 8 PHE HA H -5.939 3.447 1.035 1.00 . A A . 8 PHE HA 1 1 6 2012 1 1 8 PHE HB2 H -7.198 2.025 2.842 1.00 . A A . 8 PHE HB2 1 1 6 2013 1 1 8 PHE HB3 H -8.096 3.402 2.106 1.00 . A A . 8 PHE HB3 1 1 6 2014 1 1 8 PHE HD1 H -7.832 -0.304 2.266 1.00 . A A . 8 PHE HD1 1 1 6 2015 1 1 8 PHE HD2 H -9.995 3.037 0.639 1.00 . A A . 8 PHE HD2 1 1 6 2016 1 1 8 PHE HE1 H -9.663 -1.818 1.583 1.00 . A A . 8 PHE HE1 1 1 6 2017 1 1 8 PHE HE2 H -11.827 1.520 -0.035 1.00 . A A . 8 PHE HE2 1 1 6 2018 1 1 8 PHE HZ H -11.664 -0.910 0.431 1.00 . A A . 8 PHE HZ 1 1 6 2019 1 1 8 PHE N N -7.127 2.757 -0.498 1.00 . A A . 8 PHE N 1 1 6 2020 1 1 8 PHE O O -4.751 1.235 1.650 1.00 . A A . 8 PHE O 1 1 6 2021 1 1 9 GLY C C -3.915 -0.450 -1.128 1.00 . A A . 9 GLY C 1 1 6 2022 1 1 9 GLY CA C -5.128 -0.771 -0.300 1.00 . A A . 9 GLY CA 1 1 6 2023 1 1 9 GLY H H -6.732 0.521 -0.668 1.00 . A A . 9 GLY H 1 1 6 2024 1 1 9 GLY HA2 H -4.809 -1.154 0.659 1.00 . A A . 9 GLY HA2 1 1 6 2025 1 1 9 GLY HA3 H -5.739 -1.467 -0.855 1.00 . A A . 9 GLY HA3 1 1 6 2026 1 1 9 GLY N N -5.929 0.410 -0.091 1.00 . A A . 9 GLY N 1 1 6 2027 1 1 9 GLY O O -2.885 -1.107 -0.997 1.00 . A A . 9 GLY O 1 1 6 2028 1 1 10 HIS C C -1.983 1.885 -2.229 1.00 . A A . 10 HIS C 1 1 6 2029 1 1 10 HIS CA C -2.966 0.976 -2.916 1.00 . A A . 10 HIS CA 1 1 6 2030 1 1 10 HIS CB C -3.523 1.737 -4.141 1.00 . A A . 10 HIS CB 1 1 6 2031 1 1 10 HIS CD2 C -4.591 -0.449 -5.077 1.00 . A A . 10 HIS CD2 1 1 6 2032 1 1 10 HIS CE1 C -5.917 0.383 -6.534 1.00 . A A . 10 HIS CE1 1 1 6 2033 1 1 10 HIS CG C -4.438 0.903 -4.996 1.00 . A A . 10 HIS CG 1 1 6 2034 1 1 10 HIS H H -4.861 1.101 -2.082 1.00 . A A . 10 HIS H 1 1 6 2035 1 1 10 HIS HA H -2.442 0.093 -3.253 1.00 . A A . 10 HIS HA 1 1 6 2036 1 1 10 HIS HB2 H -4.088 2.631 -3.793 1.00 . A A . 10 HIS HB2 1 1 6 2037 1 1 10 HIS HB3 H -2.688 2.085 -4.787 1.00 . A A . 10 HIS HB3 1 1 6 2038 1 1 10 HIS HD1 H -5.414 2.404 -6.144 1.00 . A A . 10 HIS HD1 1 1 6 2039 1 1 10 HIS HD2 H -4.101 -1.237 -4.521 1.00 . A A . 10 HIS HD2 1 1 6 2040 1 1 10 HIS HE1 H -6.657 0.507 -7.323 1.00 . A A . 10 HIS HE1 1 1 6 2041 1 1 10 HIS N N -4.016 0.577 -2.006 1.00 . A A . 10 HIS N 1 1 6 2042 1 1 10 HIS ND1 N -5.292 1.431 -5.942 1.00 . A A . 10 HIS ND1 1 1 6 2043 1 1 10 HIS NE2 N -5.525 -0.777 -6.043 1.00 . A A . 10 HIS NE2 1 1 6 2044 1 1 10 HIS O O -0.799 1.887 -2.568 1.00 . A A . 10 HIS O 1 1 6 2045 1 1 11 ILE C C -0.788 3.013 0.492 1.00 . A A . 11 ILE C 1 1 6 2046 1 1 11 ILE CA C -1.671 3.676 -0.542 1.00 . A A . 11 ILE CA 1 1 6 2047 1 1 11 ILE CB C -2.558 4.757 0.078 1.00 . A A . 11 ILE CB 1 1 6 2048 1 1 11 ILE CD1 C -2.763 7.235 0.655 1.00 . A A . 11 ILE CD1 1 1 6 2049 1 1 11 ILE CG1 C -1.816 6.103 0.245 1.00 . A A . 11 ILE CG1 1 1 6 2050 1 1 11 ILE CG2 C -3.215 4.278 1.390 1.00 . A A . 11 ILE CG2 1 1 6 2051 1 1 11 ILE H H -3.417 2.641 -0.969 1.00 . A A . 11 ILE H 1 1 6 2052 1 1 11 ILE HA H -1.034 4.148 -1.278 1.00 . A A . 11 ILE HA 1 1 6 2053 1 1 11 ILE HB H -3.383 4.948 -0.650 1.00 . A A . 11 ILE HB 1 1 6 2054 1 1 11 ILE HD11 H -2.223 8.206 0.680 1.00 . A A . 11 ILE HD11 1 1 6 2055 1 1 11 ILE HD12 H -3.195 7.042 1.660 1.00 . A A . 11 ILE HD12 1 1 6 2056 1 1 11 ILE HD13 H -3.602 7.309 -0.070 1.00 . A A . 11 ILE HD13 1 1 6 2057 1 1 11 ILE HG12 H -1.014 5.995 1.007 1.00 . A A . 11 ILE HG12 1 1 6 2058 1 1 11 ILE HG13 H -1.337 6.370 -0.723 1.00 . A A . 11 ILE HG13 1 1 6 2059 1 1 11 ILE HG21 H -3.639 3.270 1.247 1.00 . A A . 11 ILE HG21 1 1 6 2060 1 1 11 ILE HG22 H -4.039 4.959 1.689 1.00 . A A . 11 ILE HG22 1 1 6 2061 1 1 11 ILE HG23 H -2.474 4.239 2.215 1.00 . A A . 11 ILE HG23 1 1 6 2062 1 1 11 ILE N N -2.458 2.682 -1.240 1.00 . A A . 11 ILE N 1 1 6 2063 1 1 11 ILE O O 0.195 3.595 0.944 1.00 . A A . 11 ILE O 1 1 6 2064 1 1 12 GLN C C 0.852 0.401 1.147 1.00 . A A . 12 GLN C 1 1 6 2065 1 1 12 GLN CA C -0.393 0.937 1.806 1.00 . A A . 12 GLN CA 1 1 6 2066 1 1 12 GLN CB C -1.261 -0.252 2.282 1.00 . A A . 12 GLN CB 1 1 6 2067 1 1 12 GLN CD C -1.548 -2.261 3.773 1.00 . A A . 12 GLN CD 1 1 6 2068 1 1 12 GLN CG C -0.613 -1.110 3.384 1.00 . A A . 12 GLN CG 1 1 6 2069 1 1 12 GLN H H -1.923 1.309 0.471 1.00 . A A . 12 GLN H 1 1 6 2070 1 1 12 GLN HA H -0.116 1.553 2.650 1.00 . A A . 12 GLN HA 1 1 6 2071 1 1 12 GLN HB2 H -2.216 0.166 2.674 1.00 . A A . 12 GLN HB2 1 1 6 2072 1 1 12 GLN HB3 H -1.514 -0.896 1.411 1.00 . A A . 12 GLN HB3 1 1 6 2073 1 1 12 GLN HE21 H -2.892 -0.948 4.612 1.00 . A A . 12 GLN HE21 1 1 6 2074 1 1 12 GLN HE22 H -3.348 -2.617 4.704 1.00 . A A . 12 GLN HE22 1 1 6 2075 1 1 12 GLN HG2 H 0.342 -1.546 3.019 1.00 . A A . 12 GLN HG2 1 1 6 2076 1 1 12 GLN HG3 H -0.395 -0.485 4.276 1.00 . A A . 12 GLN HG3 1 1 6 2077 1 1 12 GLN N N -1.121 1.751 0.863 1.00 . A A . 12 GLN N 1 1 6 2078 1 1 12 GLN NE2 N -2.699 -1.910 4.423 1.00 . A A . 12 GLN NE2 1 1 6 2079 1 1 12 GLN O O 1.914 0.332 1.765 1.00 . A A . 12 GLN O 1 1 6 2080 1 1 12 GLN OE1 O -1.248 -3.431 3.505 1.00 . A A . 12 GLN OE1 1 1 6 2081 1 1 13 VAL C C 2.801 0.551 -1.295 1.00 . A A . 13 VAL C 1 1 6 2082 1 1 13 VAL CA C 1.803 -0.523 -0.957 1.00 . A A . 13 VAL CA 1 1 6 2083 1 1 13 VAL CB C 1.276 -1.211 -2.214 1.00 . A A . 13 VAL CB 1 1 6 2084 1 1 13 VAL CG1 C 2.423 -1.805 -3.061 1.00 . A A . 13 VAL CG1 1 1 6 2085 1 1 13 VAL CG2 C 0.301 -2.327 -1.780 1.00 . A A . 13 VAL CG2 1 1 6 2086 1 1 13 VAL H H -0.136 0.122 -0.628 1.00 . A A . 13 VAL H 1 1 6 2087 1 1 13 VAL HA H 2.313 -1.239 -0.348 1.00 . A A . 13 VAL HA 1 1 6 2088 1 1 13 VAL HB H 0.715 -0.478 -2.836 1.00 . A A . 13 VAL HB 1 1 6 2089 1 1 13 VAL HG11 H 3.048 -2.481 -2.442 1.00 . A A . 13 VAL HG11 1 1 6 2090 1 1 13 VAL HG12 H 3.065 -1.006 -3.483 1.00 . A A . 13 VAL HG12 1 1 6 2091 1 1 13 VAL HG13 H 2.004 -2.388 -3.909 1.00 . A A . 13 VAL HG13 1 1 6 2092 1 1 13 VAL HG21 H 0.824 -3.063 -1.136 1.00 . A A . 13 VAL HG21 1 1 6 2093 1 1 13 VAL HG22 H -0.091 -2.857 -2.674 1.00 . A A . 13 VAL HG22 1 1 6 2094 1 1 13 VAL HG23 H -0.561 -1.916 -1.218 1.00 . A A . 13 VAL HG23 1 1 6 2095 1 1 13 VAL N N 0.737 0.033 -0.153 1.00 . A A . 13 VAL N 1 1 6 2096 1 1 13 VAL O O 3.996 0.292 -1.420 1.00 . A A . 13 VAL O 1 1 6 2097 1 1 14 LYS C C 4.099 3.319 -0.629 1.00 . A A . 14 LYS C 1 1 6 2098 1 1 14 LYS CA C 3.071 2.989 -1.688 1.00 . A A . 14 LYS CA 1 1 6 2099 1 1 14 LYS CB C 2.124 4.200 -1.848 1.00 . A A . 14 LYS CB 1 1 6 2100 1 1 14 LYS CD C 2.861 5.163 -4.124 1.00 . A A . 14 LYS CD 1 1 6 2101 1 1 14 LYS CE C 4.223 4.627 -4.607 1.00 . A A . 14 LYS CE 1 1 6 2102 1 1 14 LYS CG C 2.697 5.407 -2.611 1.00 . A A . 14 LYS CG 1 1 6 2103 1 1 14 LYS H H 1.331 1.943 -1.316 1.00 . A A . 14 LYS H 1 1 6 2104 1 1 14 LYS HA H 3.585 2.785 -2.611 1.00 . A A . 14 LYS HA 1 1 6 2105 1 1 14 LYS HB2 H 1.217 3.863 -2.399 1.00 . A A . 14 LYS HB2 1 1 6 2106 1 1 14 LYS HB3 H 1.782 4.540 -0.846 1.00 . A A . 14 LYS HB3 1 1 6 2107 1 1 14 LYS HD2 H 2.063 4.445 -4.426 1.00 . A A . 14 LYS HD2 1 1 6 2108 1 1 14 LYS HD3 H 2.676 6.129 -4.644 1.00 . A A . 14 LYS HD3 1 1 6 2109 1 1 14 LYS HE2 H 4.378 3.582 -4.283 1.00 . A A . 14 LYS HE2 1 1 6 2110 1 1 14 LYS HE3 H 4.268 4.662 -5.716 1.00 . A A . 14 LYS HE3 1 1 6 2111 1 1 14 LYS HG2 H 1.946 6.225 -2.500 1.00 . A A . 14 LYS HG2 1 1 6 2112 1 1 14 LYS HG3 H 3.636 5.766 -2.148 1.00 . A A . 14 LYS HG3 1 1 6 2113 1 1 14 LYS HZ1 H 6.251 5.028 -4.436 1.00 . A A . 14 LYS HZ1 1 1 6 2114 1 1 14 LYS HZ2 H 5.348 5.405 -3.047 1.00 . A A . 14 LYS HZ2 1 1 6 2115 1 1 14 LYS HZ3 H 5.265 6.411 -4.416 1.00 . A A . 14 LYS HZ3 1 1 6 2116 1 1 14 LYS N N 2.311 1.802 -1.398 1.00 . A A . 14 LYS N 1 1 6 2117 1 1 14 LYS NZ N 5.357 5.428 -4.087 1.00 . A A . 14 LYS NZ 1 1 6 2118 1 1 14 LYS O O 5.124 3.919 -0.938 1.00 . A A . 14 LYS O 1 1 6 2119 1 1 15 VAL C C 5.971 2.251 1.603 1.00 . A A . 15 VAL C 1 1 6 2120 1 1 15 VAL CA C 4.745 3.117 1.767 1.00 . A A . 15 VAL CA 1 1 6 2121 1 1 15 VAL CB C 4.090 2.787 3.108 1.00 . A A . 15 VAL CB 1 1 6 2122 1 1 15 VAL CG1 C 5.035 3.135 4.280 1.00 . A A . 15 VAL CG1 1 1 6 2123 1 1 15 VAL CG2 C 2.765 3.567 3.227 1.00 . A A . 15 VAL CG2 1 1 6 2124 1 1 15 VAL H H 3.013 2.417 0.863 1.00 . A A . 15 VAL H 1 1 6 2125 1 1 15 VAL HA H 5.047 4.154 1.760 1.00 . A A . 15 VAL HA 1 1 6 2126 1 1 15 VAL HB H 3.849 1.701 3.160 1.00 . A A . 15 VAL HB 1 1 6 2127 1 1 15 VAL HG11 H 4.514 2.971 5.247 1.00 . A A . 15 VAL HG11 1 1 6 2128 1 1 15 VAL HG12 H 5.345 4.200 4.223 1.00 . A A . 15 VAL HG12 1 1 6 2129 1 1 15 VAL HG13 H 5.942 2.496 4.269 1.00 . A A . 15 VAL HG13 1 1 6 2130 1 1 15 VAL HG21 H 2.935 4.654 3.075 1.00 . A A . 15 VAL HG21 1 1 6 2131 1 1 15 VAL HG22 H 2.325 3.416 4.235 1.00 . A A . 15 VAL HG22 1 1 6 2132 1 1 15 VAL HG23 H 2.032 3.206 2.480 1.00 . A A . 15 VAL HG23 1 1 6 2133 1 1 15 VAL N N 3.852 2.907 0.642 1.00 . A A . 15 VAL N 1 1 6 2134 1 1 15 VAL O O 7.092 2.689 1.857 1.00 . A A . 15 VAL O 1 1 6 2135 1 1 16 PHE C C 7.675 0.353 -0.198 1.00 . A A . 16 PHE C 1 1 6 2136 1 1 16 PHE CA C 6.809 0.002 0.983 1.00 . A A . 16 PHE CA 1 1 6 2137 1 1 16 PHE CB C 6.248 -1.428 0.750 1.00 . A A . 16 PHE CB 1 1 6 2138 1 1 16 PHE CD1 C 5.400 -1.559 3.161 1.00 . A A . 16 PHE CD1 1 1 6 2139 1 1 16 PHE CD2 C 4.044 -2.472 1.377 1.00 . A A . 16 PHE CD2 1 1 6 2140 1 1 16 PHE CE1 C 4.411 -1.907 4.090 1.00 . A A . 16 PHE CE1 1 1 6 2141 1 1 16 PHE CE2 C 3.054 -2.822 2.303 1.00 . A A . 16 PHE CE2 1 1 6 2142 1 1 16 PHE CG C 5.221 -1.820 1.788 1.00 . A A . 16 PHE CG 1 1 6 2143 1 1 16 PHE CZ C 3.235 -2.534 3.660 1.00 . A A . 16 PHE CZ 1 1 6 2144 1 1 16 PHE H H 4.849 0.673 0.925 1.00 . A A . 16 PHE H 1 1 6 2145 1 1 16 PHE HA H 7.423 0.013 1.874 1.00 . A A . 16 PHE HA 1 1 6 2146 1 1 16 PHE HB2 H 5.763 -1.483 -0.249 1.00 . A A . 16 PHE HB2 1 1 6 2147 1 1 16 PHE HB3 H 7.070 -2.175 0.789 1.00 . A A . 16 PHE HB3 1 1 6 2148 1 1 16 PHE HD1 H 6.300 -1.078 3.515 1.00 . A A . 16 PHE HD1 1 1 6 2149 1 1 16 PHE HD2 H 3.894 -2.696 0.332 1.00 . A A . 16 PHE HD2 1 1 6 2150 1 1 16 PHE HE1 H 4.555 -1.692 5.138 1.00 . A A . 16 PHE HE1 1 1 6 2151 1 1 16 PHE HE2 H 2.149 -3.309 1.969 1.00 . A A . 16 PHE HE2 1 1 6 2152 1 1 16 PHE HZ H 2.470 -2.801 4.375 1.00 . A A . 16 PHE HZ 1 1 6 2153 1 1 16 PHE N N 5.767 0.992 1.147 1.00 . A A . 16 PHE N 1 1 6 2154 1 1 16 PHE O O 8.886 0.142 -0.169 1.00 . A A . 16 PHE O 1 1 6 2155 1 1 17 ASN C C 8.546 2.570 -2.248 1.00 . A A . 17 ASN C 1 1 6 2156 1 1 17 ASN CA C 7.699 1.346 -2.482 1.00 . A A . 17 ASN CA 1 1 6 2157 1 1 17 ASN CB C 6.684 1.715 -3.594 1.00 . A A . 17 ASN CB 1 1 6 2158 1 1 17 ASN CG C 5.871 0.489 -4.036 1.00 . A A . 17 ASN CG 1 1 6 2159 1 1 17 ASN H H 6.068 1.087 -1.231 1.00 . A A . 17 ASN H 1 1 6 2160 1 1 17 ASN HA H 8.344 0.546 -2.818 1.00 . A A . 17 ASN HA 1 1 6 2161 1 1 17 ASN HB2 H 5.994 2.498 -3.215 1.00 . A A . 17 ASN HB2 1 1 6 2162 1 1 17 ASN HB3 H 7.220 2.110 -4.485 1.00 . A A . 17 ASN HB3 1 1 6 2163 1 1 17 ASN HD21 H 4.550 1.714 -5.036 1.00 . A A . 17 ASN HD21 1 1 6 2164 1 1 17 ASN HD22 H 4.193 0.021 -5.132 1.00 . A A . 17 ASN HD22 1 1 6 2165 1 1 17 ASN N N 7.053 0.931 -1.256 1.00 . A A . 17 ASN N 1 1 6 2166 1 1 17 ASN ND2 N 4.773 0.767 -4.804 1.00 . A A . 17 ASN ND2 1 1 6 2167 1 1 17 ASN O O 9.554 2.762 -2.922 1.00 . A A . 17 ASN O 1 1 6 2168 1 1 17 ASN OD1 O 6.197 -0.660 -3.721 1.00 . A A . 17 ASN OD1 1 1 6 2169 1 1 18 HIS C C 10.121 4.327 -0.138 1.00 . A A . 18 HIS C 1 1 6 2170 1 1 18 HIS CA C 8.849 4.630 -0.896 1.00 . A A . 18 HIS CA 1 1 6 2171 1 1 18 HIS CB C 7.965 5.558 -0.033 1.00 . A A . 18 HIS CB 1 1 6 2172 1 1 18 HIS CD2 C 9.246 7.492 1.130 1.00 . A A . 18 HIS CD2 1 1 6 2173 1 1 18 HIS CE1 C 9.060 9.020 -0.354 1.00 . A A . 18 HIS CE1 1 1 6 2174 1 1 18 HIS CG C 8.521 6.946 0.116 1.00 . A A . 18 HIS CG 1 1 6 2175 1 1 18 HIS H H 7.341 3.220 -0.721 1.00 . A A . 18 HIS H 1 1 6 2176 1 1 18 HIS HA H 9.105 5.153 -1.804 1.00 . A A . 18 HIS HA 1 1 6 2177 1 1 18 HIS HB2 H 6.967 5.650 -0.512 1.00 . A A . 18 HIS HB2 1 1 6 2178 1 1 18 HIS HB3 H 7.813 5.113 0.974 1.00 . A A . 18 HIS HB3 1 1 6 2179 1 1 18 HIS HD1 H 7.942 7.850 -1.719 1.00 . A A . 18 HIS HD1 1 1 6 2180 1 1 18 HIS HD2 H 9.576 7.034 2.053 1.00 . A A . 18 HIS HD2 1 1 6 2181 1 1 18 HIS HE1 H 9.128 9.957 -0.903 1.00 . A A . 18 HIS HE1 1 1 6 2182 1 1 18 HIS N N 8.157 3.415 -1.261 1.00 . A A . 18 HIS N 1 1 6 2183 1 1 18 HIS ND1 N 8.411 7.933 -0.839 1.00 . A A . 18 HIS ND1 1 1 6 2184 1 1 18 HIS NE2 N 9.585 8.800 0.836 1.00 . A A . 18 HIS NE2 1 1 6 2185 1 1 18 HIS O O 10.999 5.180 -0.030 1.00 . A A . 18 HIS O 1 1 6 2186 1 1 19 GLY C C 12.544 2.318 0.099 1.00 . A A . 19 GLY C 1 1 6 2187 1 1 19 GLY CA C 11.431 2.606 1.068 1.00 . A A . 19 GLY CA 1 1 6 2188 1 1 19 GLY H H 9.525 2.406 0.278 1.00 . A A . 19 GLY H 1 1 6 2189 1 1 19 GLY HA2 H 11.755 3.371 1.758 1.00 . A A . 19 GLY HA2 1 1 6 2190 1 1 19 GLY HA3 H 11.156 1.681 1.550 1.00 . A A . 19 GLY HA3 1 1 6 2191 1 1 19 GLY N N 10.253 3.080 0.379 1.00 . A A . 19 GLY N 1 1 6 2192 1 1 19 GLY O O 13.717 2.460 0.441 1.00 . A A . 19 GLY O 1 1 6 2193 1 1 20 GLU C C 13.474 3.014 -2.865 1.00 . A A . 20 GLU C 1 1 6 2194 1 1 20 GLU CA C 13.143 1.694 -2.216 1.00 . A A . 20 GLU CA 1 1 6 2195 1 1 20 GLU CB C 12.638 0.730 -3.322 1.00 . A A . 20 GLU CB 1 1 6 2196 1 1 20 GLU CD C 11.455 -1.083 -1.992 1.00 . A A . 20 GLU CD 1 1 6 2197 1 1 20 GLU CG C 12.629 -0.756 -2.911 1.00 . A A . 20 GLU CG 1 1 6 2198 1 1 20 GLU H H 11.236 1.794 -1.400 1.00 . A A . 20 GLU H 1 1 6 2199 1 1 20 GLU HA H 14.053 1.287 -1.796 1.00 . A A . 20 GLU HA 1 1 6 2200 1 1 20 GLU HB2 H 11.633 1.045 -3.676 1.00 . A A . 20 GLU HB2 1 1 6 2201 1 1 20 GLU HB3 H 13.333 0.797 -4.191 1.00 . A A . 20 GLU HB3 1 1 6 2202 1 1 20 GLU HG2 H 12.544 -1.385 -3.824 1.00 . A A . 20 GLU HG2 1 1 6 2203 1 1 20 GLU HG3 H 13.588 -1.005 -2.410 1.00 . A A . 20 GLU HG3 1 1 6 2204 1 1 20 GLU N N 12.193 1.917 -1.149 1.00 . A A . 20 GLU N 1 1 6 2205 1 1 20 GLU O O 14.591 3.205 -3.343 1.00 . A A . 20 GLU O 1 1 6 2206 1 1 20 GLU OE1 O 10.298 -1.062 -2.491 1.00 . A A . 20 GLU OE1 1 1 6 2207 1 1 20 GLU OE2 O 11.696 -1.367 -0.789 1.00 . A A . 20 GLU OE2 1 1 6 2208 1 1 21 HIS C C 13.504 6.130 -2.497 1.00 . A A . 21 HIS C 1 1 6 2209 1 1 21 HIS CA C 12.685 5.282 -3.435 1.00 . A A . 21 HIS CA 1 1 6 2210 1 1 21 HIS CB C 11.348 6.035 -3.663 1.00 . A A . 21 HIS CB 1 1 6 2211 1 1 21 HIS CD2 C 10.507 4.272 -5.396 1.00 . A A . 21 HIS CD2 1 1 6 2212 1 1 21 HIS CE1 C 8.453 4.856 -5.534 1.00 . A A . 21 HIS CE1 1 1 6 2213 1 1 21 HIS CG C 10.356 5.320 -4.540 1.00 . A A . 21 HIS CG 1 1 6 2214 1 1 21 HIS H H 11.605 3.794 -2.494 1.00 . A A . 21 HIS H 1 1 6 2215 1 1 21 HIS HA H 13.202 5.176 -4.374 1.00 . A A . 21 HIS HA 1 1 6 2216 1 1 21 HIS HB2 H 10.861 6.218 -2.681 1.00 . A A . 21 HIS HB2 1 1 6 2217 1 1 21 HIS HB3 H 11.546 7.022 -4.133 1.00 . A A . 21 HIS HB3 1 1 6 2218 1 1 21 HIS HD1 H 8.599 6.449 -4.143 1.00 . A A . 21 HIS HD1 1 1 6 2219 1 1 21 HIS HD2 H 11.389 3.690 -5.633 1.00 . A A . 21 HIS HD2 1 1 6 2220 1 1 21 HIS HE1 H 7.403 4.925 -5.811 1.00 . A A . 21 HIS HE1 1 1 6 2221 1 1 21 HIS N N 12.507 3.965 -2.876 1.00 . A A . 21 HIS N 1 1 6 2222 1 1 21 HIS ND1 N 9.031 5.694 -4.638 1.00 . A A . 21 HIS ND1 1 1 6 2223 1 1 21 HIS NE2 N 9.307 3.977 -6.020 1.00 . A A . 21 HIS NE2 1 1 6 2224 1 1 21 HIS O O 13.709 5.785 -1.333 1.00 . A A . 21 HIS O 1 1 6 2225 1 1 22 ILE C C 13.480 9.190 -1.757 1.00 . A A . 22 ILE C 1 1 6 2226 1 1 22 ILE CA C 14.612 8.324 -2.219 1.00 . A A . 22 ILE CA 1 1 6 2227 1 1 22 ILE CB C 15.649 9.125 -3.006 1.00 . A A . 22 ILE CB 1 1 6 2228 1 1 22 ILE CD1 C 17.795 8.857 -4.429 1.00 . A A . 22 ILE CD1 1 1 6 2229 1 1 22 ILE CG1 C 16.737 8.167 -3.560 1.00 . A A . 22 ILE CG1 1 1 6 2230 1 1 22 ILE CG2 C 16.248 10.223 -2.094 1.00 . A A . 22 ILE CG2 1 1 6 2231 1 1 22 ILE H H 13.831 7.524 -3.965 1.00 . A A . 22 ILE H 1 1 6 2232 1 1 22 ILE HA H 15.069 7.885 -1.360 1.00 . A A . 22 ILE HA 1 1 6 2233 1 1 22 ILE HB H 15.164 9.617 -3.879 1.00 . A A . 22 ILE HB 1 1 6 2234 1 1 22 ILE HD11 H 18.488 8.102 -4.857 1.00 . A A . 22 ILE HD11 1 1 6 2235 1 1 22 ILE HD12 H 18.393 9.577 -3.832 1.00 . A A . 22 ILE HD12 1 1 6 2236 1 1 22 ILE HD13 H 17.310 9.404 -5.266 1.00 . A A . 22 ILE HD13 1 1 6 2237 1 1 22 ILE HG12 H 17.240 7.661 -2.708 1.00 . A A . 22 ILE HG12 1 1 6 2238 1 1 22 ILE HG13 H 16.252 7.382 -4.183 1.00 . A A . 22 ILE HG13 1 1 6 2239 1 1 22 ILE HG21 H 17.004 10.820 -2.645 1.00 . A A . 22 ILE HG21 1 1 6 2240 1 1 22 ILE HG22 H 16.736 9.763 -1.210 1.00 . A A . 22 ILE HG22 1 1 6 2241 1 1 22 ILE HG23 H 15.464 10.924 -1.742 1.00 . A A . 22 ILE HG23 1 1 6 2242 1 1 22 ILE N N 13.975 7.292 -3.007 1.00 . A A . 22 ILE N 1 1 6 2243 1 1 22 ILE O O 13.233 9.361 -0.565 1.00 . A A . 22 ILE O 1 1 6 2244 1 1 23 HIS C C 10.671 9.942 -3.773 1.00 . A A . 23 HIS C 1 1 6 2245 1 1 23 HIS CA C 11.493 10.371 -2.594 1.00 . A A . 23 HIS CA 1 1 6 2246 1 1 23 HIS CB C 11.605 11.913 -2.550 1.00 . A A . 23 HIS CB 1 1 6 2247 1 1 23 HIS CD2 C 9.499 13.384 -3.036 1.00 . A A . 23 HIS CD2 1 1 6 2248 1 1 23 HIS CE1 C 8.473 13.175 -1.169 1.00 . A A . 23 HIS CE1 1 1 6 2249 1 1 23 HIS CG C 10.294 12.599 -2.255 1.00 . A A . 23 HIS CG 1 1 6 2250 1 1 23 HIS H H 13.026 9.500 -3.679 1.00 . A A . 23 HIS H 1 1 6 2251 1 1 23 HIS HA H 11.033 9.990 -1.700 1.00 . A A . 23 HIS HA 1 1 6 2252 1 1 23 HIS HB2 H 12.318 12.190 -1.742 1.00 . A A . 23 HIS HB2 1 1 6 2253 1 1 23 HIS HB3 H 12.028 12.284 -3.510 1.00 . A A . 23 HIS HB3 1 1 6 2254 1 1 23 HIS HD1 H 9.940 11.943 -0.263 1.00 . A A . 23 HIS HD1 1 1 6 2255 1 1 23 HIS HD2 H 9.632 13.725 -4.056 1.00 . A A . 23 HIS HD2 1 1 6 2256 1 1 23 HIS HE1 H 7.745 13.246 -0.365 1.00 . A A . 23 HIS HE1 1 1 6 2257 1 1 23 HIS N N 12.747 9.704 -2.753 1.00 . A A . 23 HIS N 1 1 6 2258 1 1 23 HIS ND1 N 9.625 12.468 -1.055 1.00 . A A . 23 HIS ND1 1 1 6 2259 1 1 23 HIS NE2 N 8.353 13.747 -2.352 1.00 . A A . 23 HIS NE2 1 1 6 2260 1 1 23 HIS O O 11.210 9.615 -4.830 1.00 . A A . 23 HIS O 1 1 6 2261 1 1 24 HIS C C 8.128 10.730 -5.532 1.00 . A A . 24 HIS C 1 1 6 2262 1 1 24 HIS CA C 8.413 9.506 -4.638 1.00 . A A . 24 HIS CA 1 1 6 2263 1 1 24 HIS CB C 7.072 9.000 -4.061 1.00 . A A . 24 HIS CB 1 1 6 2264 1 1 24 HIS CD2 C 6.340 7.819 -6.258 1.00 . A A . 24 HIS CD2 1 1 6 2265 1 1 24 HIS CE1 C 4.218 8.056 -6.130 1.00 . A A . 24 HIS CE1 1 1 6 2266 1 1 24 HIS CG C 6.107 8.516 -5.112 1.00 . A A . 24 HIS CG 1 1 6 2267 1 1 24 HIS H H 8.910 10.194 -2.744 1.00 . A A . 24 HIS H 1 1 6 2268 1 1 24 HIS HA H 8.870 8.709 -5.212 1.00 . A A . 24 HIS HA 1 1 6 2269 1 1 24 HIS HB2 H 7.272 8.150 -3.375 1.00 . A A . 24 HIS HB2 1 1 6 2270 1 1 24 HIS HB3 H 6.597 9.811 -3.466 1.00 . A A . 24 HIS HB3 1 1 6 2271 1 1 24 HIS HD1 H 4.238 9.130 -4.302 1.00 . A A . 24 HIS HD1 1 1 6 2272 1 1 24 HIS HD2 H 7.275 7.481 -6.685 1.00 . A A . 24 HIS HD2 1 1 6 2273 1 1 24 HIS HE1 H 3.148 8.018 -6.330 1.00 . A A . 24 HIS HE1 1 1 6 2274 1 1 24 HIS N N 9.330 9.919 -3.604 1.00 . A A . 24 HIS N 1 1 6 2275 1 1 24 HIS ND1 N 4.738 8.660 -5.032 1.00 . A A . 24 HIS ND1 1 1 6 2276 1 1 24 HIS NE2 N 5.150 7.530 -6.901 1.00 . A A . 24 HIS NE2 1 1 6 2277 1 1 24 HIS O O 7.599 11.741 -5.057 1.00 . A A . 24 HIS O 1 1 6 2278 1 1 25 NH2 HN1 H 8.332 11.381 -7.472 1.00 . A A . 25 NH2 HN1 1 1 6 2279 1 1 25 NH2 HN2 H 8.920 9.778 -7.176 1.00 . A A . 25 NH2 HN2 1 1 6 2280 1 1 25 NH2 N N 8.491 10.618 -6.845 1.00 . A A . 25 NH2 N 1 1 7 2281 1 1 1 ACE C C -16.172 5.211 0.532 1.00 . A A . 1 ACE C 1 1 7 2282 1 1 1 ACE CH3 C -15.988 5.455 -0.935 1.00 . A A . 1 ACE CH3 1 1 7 2283 1 1 1 ACE H1 H -16.978 5.590 -1.422 1.00 . A A . 1 ACE H1 1 1 7 2284 1 1 1 ACE H2 H -15.385 6.372 -1.108 1.00 . A A . 1 ACE H2 1 1 7 2285 1 1 1 ACE H3 H -15.481 4.590 -1.413 1.00 . A A . 1 ACE H3 1 1 7 2286 1 1 1 ACE O O -17.305 5.120 0.999 1.00 . A A . 1 ACE O 1 1 7 2287 1 1 2 PHE C C -13.276 3.845 0.376 1.00 . A A . 2 PHE C 1 1 7 2288 1 1 2 PHE CA C -13.692 5.187 0.918 1.00 . A A . 2 PHE CA 1 1 7 2289 1 1 2 PHE CB C -12.780 5.608 2.115 1.00 . A A . 2 PHE CB 1 1 7 2290 1 1 2 PHE CD1 C -10.766 5.990 0.554 1.00 . A A . 2 PHE CD1 1 1 7 2291 1 1 2 PHE CD2 C -10.389 5.406 2.871 1.00 . A A . 2 PHE CD2 1 1 7 2292 1 1 2 PHE CE1 C -9.382 6.001 0.334 1.00 . A A . 2 PHE CE1 1 1 7 2293 1 1 2 PHE CE2 C -9.006 5.426 2.655 1.00 . A A . 2 PHE CE2 1 1 7 2294 1 1 2 PHE CG C -11.290 5.673 1.824 1.00 . A A . 2 PHE CG 1 1 7 2295 1 1 2 PHE CZ C -8.502 5.714 1.382 1.00 . A A . 2 PHE CZ 1 1 7 2296 1 1 2 PHE H H -15.194 4.919 2.299 1.00 . A A . 2 PHE H 1 1 7 2297 1 1 2 PHE HA H -13.606 5.927 0.136 1.00 . A A . 2 PHE HA 1 1 7 2298 1 1 2 PHE HB2 H -13.086 6.621 2.455 1.00 . A A . 2 PHE HB2 1 1 7 2299 1 1 2 PHE HB3 H -12.939 4.904 2.961 1.00 . A A . 2 PHE HB3 1 1 7 2300 1 1 2 PHE HD1 H -11.422 6.220 -0.273 1.00 . A A . 2 PHE HD1 1 1 7 2301 1 1 2 PHE HD2 H -10.767 5.170 3.855 1.00 . A A . 2 PHE HD2 1 1 7 2302 1 1 2 PHE HE1 H -8.996 6.230 -0.648 1.00 . A A . 2 PHE HE1 1 1 7 2303 1 1 2 PHE HE2 H -8.330 5.216 3.472 1.00 . A A . 2 PHE HE2 1 1 7 2304 1 1 2 PHE HZ H -7.435 5.721 1.213 1.00 . A A . 2 PHE HZ 1 1 7 2305 1 1 2 PHE N N -15.075 5.089 1.325 1.00 . A A . 2 PHE N 1 1 7 2306 1 1 2 PHE O O -12.987 3.721 -0.813 1.00 . A A . 2 PHE O 1 1 7 2307 1 1 3 GLU C C -13.867 0.626 0.530 1.00 . A A . 3 GLU C 1 1 7 2308 1 1 3 GLU CA C -12.725 1.515 0.920 1.00 . A A . 3 GLU CA 1 1 7 2309 1 1 3 GLU CB C -11.917 0.855 2.061 1.00 . A A . 3 GLU CB 1 1 7 2310 1 1 3 GLU CD C -9.810 0.875 3.421 1.00 . A A . 3 GLU CD 1 1 7 2311 1 1 3 GLU CG C -10.640 1.643 2.397 1.00 . A A . 3 GLU CG 1 1 7 2312 1 1 3 GLU H H -13.531 2.923 2.194 1.00 . A A . 3 GLU H 1 1 7 2313 1 1 3 GLU HA H -12.058 1.603 0.074 1.00 . A A . 3 GLU HA 1 1 7 2314 1 1 3 GLU HB2 H -12.549 0.776 2.973 1.00 . A A . 3 GLU HB2 1 1 7 2315 1 1 3 GLU HB3 H -11.626 -0.173 1.747 1.00 . A A . 3 GLU HB3 1 1 7 2316 1 1 3 GLU HG2 H -10.035 1.794 1.477 1.00 . A A . 3 GLU HG2 1 1 7 2317 1 1 3 GLU HG3 H -10.914 2.638 2.806 1.00 . A A . 3 GLU HG3 1 1 7 2318 1 1 3 GLU N N -13.233 2.816 1.253 1.00 . A A . 3 GLU N 1 1 7 2319 1 1 3 GLU O O -14.464 -0.062 1.357 1.00 . A A . 3 GLU O 1 1 7 2320 1 1 3 GLU OE1 O -9.300 -0.222 3.066 1.00 . A A . 3 GLU OE1 1 1 7 2321 1 1 3 GLU OE2 O -9.666 1.378 4.568 1.00 . A A . 3 GLU OE2 1 1 7 2322 1 1 4 ASP C C -14.060 -1.480 -1.820 1.00 . A A . 4 ASP C 1 1 7 2323 1 1 4 ASP CA C -14.989 -0.355 -1.456 1.00 . A A . 4 ASP CA 1 1 7 2324 1 1 4 ASP CB C -15.693 0.222 -2.719 1.00 . A A . 4 ASP CB 1 1 7 2325 1 1 4 ASP CG C -16.667 -0.789 -3.332 1.00 . A A . 4 ASP CG 1 1 7 2326 1 1 4 ASP H H -13.679 1.273 -1.376 1.00 . A A . 4 ASP H 1 1 7 2327 1 1 4 ASP HA H -15.712 -0.723 -0.758 1.00 . A A . 4 ASP HA 1 1 7 2328 1 1 4 ASP HB2 H -16.274 1.124 -2.426 1.00 . A A . 4 ASP HB2 1 1 7 2329 1 1 4 ASP HB3 H -14.946 0.532 -3.481 1.00 . A A . 4 ASP HB3 1 1 7 2330 1 1 4 ASP N N -14.153 0.621 -0.790 1.00 . A A . 4 ASP N 1 1 7 2331 1 1 4 ASP O O -14.249 -2.635 -1.440 1.00 . A A . 4 ASP O 1 1 7 2332 1 1 4 ASP OD1 O -17.637 -1.177 -2.628 1.00 . A A . 4 ASP OD1 1 1 7 2333 1 1 4 ASP OD2 O -16.449 -1.184 -4.509 1.00 . A A . 4 ASP OD2 1 1 7 2334 1 1 5 LEU C C -10.873 -1.615 -1.645 1.00 . A A . 5 LEU C 1 1 7 2335 1 1 5 LEU CA C -11.811 -1.877 -2.804 1.00 . A A . 5 LEU CA 1 1 7 2336 1 1 5 LEU CB C -11.129 -1.415 -4.118 1.00 . A A . 5 LEU CB 1 1 7 2337 1 1 5 LEU CD1 C -11.318 -0.912 -6.600 1.00 . A A . 5 LEU CD1 1 1 7 2338 1 1 5 LEU CD2 C -12.437 -2.992 -5.672 1.00 . A A . 5 LEU CD2 1 1 7 2339 1 1 5 LEU CG C -12.018 -1.539 -5.379 1.00 . A A . 5 LEU CG 1 1 7 2340 1 1 5 LEU H H -12.958 -0.133 -2.796 1.00 . A A . 5 LEU H 1 1 7 2341 1 1 5 LEU HA H -12.077 -2.924 -2.835 1.00 . A A . 5 LEU HA 1 1 7 2342 1 1 5 LEU HB2 H -10.841 -0.345 -4.011 1.00 . A A . 5 LEU HB2 1 1 7 2343 1 1 5 LEU HB3 H -10.199 -1.997 -4.295 1.00 . A A . 5 LEU HB3 1 1 7 2344 1 1 5 LEU HD11 H -11.980 -0.959 -7.490 1.00 . A A . 5 LEU HD11 1 1 7 2345 1 1 5 LEU HD12 H -10.378 -1.458 -6.828 1.00 . A A . 5 LEU HD12 1 1 7 2346 1 1 5 LEU HD13 H -11.071 0.152 -6.398 1.00 . A A . 5 LEU HD13 1 1 7 2347 1 1 5 LEU HD21 H -13.052 -3.031 -6.596 1.00 . A A . 5 LEU HD21 1 1 7 2348 1 1 5 LEU HD22 H -13.039 -3.408 -4.837 1.00 . A A . 5 LEU HD22 1 1 7 2349 1 1 5 LEU HD23 H -11.539 -3.630 -5.817 1.00 . A A . 5 LEU HD23 1 1 7 2350 1 1 5 LEU HG H -12.949 -0.951 -5.201 1.00 . A A . 5 LEU HG 1 1 7 2351 1 1 5 LEU N N -12.988 -1.089 -2.529 1.00 . A A . 5 LEU N 1 1 7 2352 1 1 5 LEU O O -11.173 -0.726 -0.853 1.00 . A A . 5 LEU O 1 1 7 2353 1 1 6 PRO C C -7.987 -0.692 -1.027 1.00 . A A . 6 PRO C 1 1 7 2354 1 1 6 PRO CA C -8.741 -1.888 -0.481 1.00 . A A . 6 PRO CA 1 1 7 2355 1 1 6 PRO CB C -7.838 -3.126 -0.333 1.00 . A A . 6 PRO CB 1 1 7 2356 1 1 6 PRO CD C -9.468 -3.615 -2.021 1.00 . A A . 6 PRO CD 1 1 7 2357 1 1 6 PRO CG C -8.014 -3.902 -1.645 1.00 . A A . 6 PRO CG 1 1 7 2358 1 1 6 PRO HA H -9.195 -1.617 0.462 1.00 . A A . 6 PRO HA 1 1 7 2359 1 1 6 PRO HB2 H -6.780 -2.886 -0.117 1.00 . A A . 6 PRO HB2 1 1 7 2360 1 1 6 PRO HB3 H -8.236 -3.752 0.497 1.00 . A A . 6 PRO HB3 1 1 7 2361 1 1 6 PRO HD2 H -9.603 -3.628 -3.122 1.00 . A A . 6 PRO HD2 1 1 7 2362 1 1 6 PRO HD3 H -10.147 -4.355 -1.543 1.00 . A A . 6 PRO HD3 1 1 7 2363 1 1 6 PRO HG2 H -7.339 -3.477 -2.420 1.00 . A A . 6 PRO HG2 1 1 7 2364 1 1 6 PRO HG3 H -7.811 -4.985 -1.528 1.00 . A A . 6 PRO HG3 1 1 7 2365 1 1 6 PRO N N -9.749 -2.298 -1.450 1.00 . A A . 6 PRO N 1 1 7 2366 1 1 6 PRO O O -6.933 -0.872 -1.631 1.00 . A A . 6 PRO O 1 1 7 2367 1 1 7 ASN C C -6.971 2.356 -0.563 1.00 . A A . 7 ASN C 1 1 7 2368 1 1 7 ASN CA C -8.035 1.756 -1.424 1.00 . A A . 7 ASN CA 1 1 7 2369 1 1 7 ASN CB C -9.156 2.805 -1.630 1.00 . A A . 7 ASN CB 1 1 7 2370 1 1 7 ASN CG C -10.144 2.298 -2.688 1.00 . A A . 7 ASN CG 1 1 7 2371 1 1 7 ASN H H -9.370 0.637 -0.301 1.00 . A A . 7 ASN H 1 1 7 2372 1 1 7 ASN HA H -7.574 1.512 -2.363 1.00 . A A . 7 ASN HA 1 1 7 2373 1 1 7 ASN HB2 H -9.700 2.978 -0.677 1.00 . A A . 7 ASN HB2 1 1 7 2374 1 1 7 ASN HB3 H -8.728 3.773 -1.973 1.00 . A A . 7 ASN HB3 1 1 7 2375 1 1 7 ASN HD21 H -8.766 2.619 -4.183 1.00 . A A . 7 ASN HD21 1 1 7 2376 1 1 7 ASN HD22 H -10.282 1.969 -4.713 1.00 . A A . 7 ASN HD22 1 1 7 2377 1 1 7 ASN N N -8.528 0.535 -0.826 1.00 . A A . 7 ASN N 1 1 7 2378 1 1 7 ASN ND2 N -9.690 2.298 -3.978 1.00 . A A . 7 ASN ND2 1 1 7 2379 1 1 7 ASN O O -6.079 3.045 -1.053 1.00 . A A . 7 ASN O 1 1 7 2380 1 1 7 ASN OD1 O -11.276 1.916 -2.372 1.00 . A A . 7 ASN OD1 1 1 7 2381 1 1 8 PHE C C -4.910 1.383 1.630 1.00 . A A . 8 PHE C 1 1 7 2382 1 1 8 PHE CA C -6.015 2.413 1.709 1.00 . A A . 8 PHE CA 1 1 7 2383 1 1 8 PHE CB C -6.586 2.464 3.150 1.00 . A A . 8 PHE CB 1 1 7 2384 1 1 8 PHE CD1 C -5.366 4.532 3.946 1.00 . A A . 8 PHE CD1 1 1 7 2385 1 1 8 PHE CD2 C -5.019 2.453 5.139 1.00 . A A . 8 PHE CD2 1 1 7 2386 1 1 8 PHE CE1 C -4.479 5.180 4.814 1.00 . A A . 8 PHE CE1 1 1 7 2387 1 1 8 PHE CE2 C -4.130 3.099 6.008 1.00 . A A . 8 PHE CE2 1 1 7 2388 1 1 8 PHE CG C -5.644 3.162 4.099 1.00 . A A . 8 PHE CG 1 1 7 2389 1 1 8 PHE CZ C -3.861 4.465 5.845 1.00 . A A . 8 PHE CZ 1 1 7 2390 1 1 8 PHE H H -7.779 1.490 1.081 1.00 . A A . 8 PHE H 1 1 7 2391 1 1 8 PHE HA H -5.620 3.382 1.433 1.00 . A A . 8 PHE HA 1 1 7 2392 1 1 8 PHE HB2 H -7.532 3.045 3.147 1.00 . A A . 8 PHE HB2 1 1 7 2393 1 1 8 PHE HB3 H -6.810 1.443 3.527 1.00 . A A . 8 PHE HB3 1 1 7 2394 1 1 8 PHE HD1 H -5.835 5.092 3.150 1.00 . A A . 8 PHE HD1 1 1 7 2395 1 1 8 PHE HD2 H -5.218 1.400 5.266 1.00 . A A . 8 PHE HD2 1 1 7 2396 1 1 8 PHE HE1 H -4.273 6.233 4.687 1.00 . A A . 8 PHE HE1 1 1 7 2397 1 1 8 PHE HE2 H -3.652 2.545 6.801 1.00 . A A . 8 PHE HE2 1 1 7 2398 1 1 8 PHE HZ H -3.177 4.963 6.516 1.00 . A A . 8 PHE HZ 1 1 7 2399 1 1 8 PHE N N -7.030 2.055 0.750 1.00 . A A . 8 PHE N 1 1 7 2400 1 1 8 PHE O O -3.768 1.660 1.992 1.00 . A A . 8 PHE O 1 1 7 2401 1 1 9 GLY C C -3.572 -0.745 -0.396 1.00 . A A . 9 GLY C 1 1 7 2402 1 1 9 GLY CA C -4.307 -0.906 0.906 1.00 . A A . 9 GLY CA 1 1 7 2403 1 1 9 GLY H H -6.175 -0.018 0.824 1.00 . A A . 9 GLY H 1 1 7 2404 1 1 9 GLY HA2 H -3.590 -0.910 1.716 1.00 . A A . 9 GLY HA2 1 1 7 2405 1 1 9 GLY HA3 H -4.891 -1.813 0.852 1.00 . A A . 9 GLY HA3 1 1 7 2406 1 1 9 GLY N N -5.240 0.173 1.115 1.00 . A A . 9 GLY N 1 1 7 2407 1 1 9 GLY O O -2.563 -1.411 -0.612 1.00 . A A . 9 GLY O 1 1 7 2408 1 1 10 HIS C C -2.449 1.649 -2.242 1.00 . A A . 10 HIS C 1 1 7 2409 1 1 10 HIS CA C -3.392 0.511 -2.523 1.00 . A A . 10 HIS CA 1 1 7 2410 1 1 10 HIS CB C -4.362 0.973 -3.642 1.00 . A A . 10 HIS CB 1 1 7 2411 1 1 10 HIS CD2 C -6.636 0.059 -4.487 1.00 . A A . 10 HIS CD2 1 1 7 2412 1 1 10 HIS CE1 C -6.180 -2.022 -4.681 1.00 . A A . 10 HIS CE1 1 1 7 2413 1 1 10 HIS CG C -5.341 -0.080 -4.089 1.00 . A A . 10 HIS CG 1 1 7 2414 1 1 10 HIS H H -4.895 0.661 -1.099 1.00 . A A . 10 HIS H 1 1 7 2415 1 1 10 HIS HA H -2.815 -0.333 -2.875 1.00 . A A . 10 HIS HA 1 1 7 2416 1 1 10 HIS HB2 H -4.942 1.857 -3.297 1.00 . A A . 10 HIS HB2 1 1 7 2417 1 1 10 HIS HB3 H -3.774 1.272 -4.536 1.00 . A A . 10 HIS HB3 1 1 7 2418 1 1 10 HIS HD1 H -4.174 -1.856 -4.016 1.00 . A A . 10 HIS HD1 1 1 7 2419 1 1 10 HIS HD2 H -7.243 0.951 -4.557 1.00 . A A . 10 HIS HD2 1 1 7 2420 1 1 10 HIS HE1 H -6.241 -3.091 -4.873 1.00 . A A . 10 HIS HE1 1 1 7 2421 1 1 10 HIS N N -4.056 0.156 -1.288 1.00 . A A . 10 HIS N 1 1 7 2422 1 1 10 HIS ND1 N -5.052 -1.421 -4.224 1.00 . A A . 10 HIS ND1 1 1 7 2423 1 1 10 HIS NE2 N -7.168 -1.164 -4.855 1.00 . A A . 10 HIS NE2 1 1 7 2424 1 1 10 HIS O O -1.434 1.799 -2.916 1.00 . A A . 10 HIS O 1 1 7 2425 1 1 11 ILE C C -0.797 3.029 0.060 1.00 . A A . 11 ILE C 1 1 7 2426 1 1 11 ILE CA C -1.966 3.572 -0.733 1.00 . A A . 11 ILE CA 1 1 7 2427 1 1 11 ILE CB C -2.836 4.575 0.043 1.00 . A A . 11 ILE CB 1 1 7 2428 1 1 11 ILE CD1 C -3.841 5.639 -2.100 1.00 . A A . 11 ILE CD1 1 1 7 2429 1 1 11 ILE CG1 C -3.066 5.859 -0.796 1.00 . A A . 11 ILE CG1 1 1 7 2430 1 1 11 ILE CG2 C -2.310 4.928 1.456 1.00 . A A . 11 ILE CG2 1 1 7 2431 1 1 11 ILE H H -3.602 2.310 -0.683 1.00 . A A . 11 ILE H 1 1 7 2432 1 1 11 ILE HA H -1.549 4.069 -1.598 1.00 . A A . 11 ILE HA 1 1 7 2433 1 1 11 ILE HB H -3.836 4.107 0.198 1.00 . A A . 11 ILE HB 1 1 7 2434 1 1 11 ILE HD11 H -4.835 5.192 -1.887 1.00 . A A . 11 ILE HD11 1 1 7 2435 1 1 11 ILE HD12 H -3.289 4.965 -2.787 1.00 . A A . 11 ILE HD12 1 1 7 2436 1 1 11 ILE HD13 H -3.999 6.611 -2.616 1.00 . A A . 11 ILE HD13 1 1 7 2437 1 1 11 ILE HG12 H -3.635 6.585 -0.173 1.00 . A A . 11 ILE HG12 1 1 7 2438 1 1 11 ILE HG13 H -2.078 6.316 -1.030 1.00 . A A . 11 ILE HG13 1 1 7 2439 1 1 11 ILE HG21 H -1.314 5.413 1.397 1.00 . A A . 11 ILE HG21 1 1 7 2440 1 1 11 ILE HG22 H -2.240 4.021 2.092 1.00 . A A . 11 ILE HG22 1 1 7 2441 1 1 11 ILE HG23 H -3.010 5.634 1.950 1.00 . A A . 11 ILE HG23 1 1 7 2442 1 1 11 ILE N N -2.767 2.464 -1.205 1.00 . A A . 11 ILE N 1 1 7 2443 1 1 11 ILE O O 0.249 3.667 0.149 1.00 . A A . 11 ILE O 1 1 7 2444 1 1 12 GLN C C 1.176 0.604 0.504 1.00 . A A . 12 GLN C 1 1 7 2445 1 1 12 GLN CA C 0.055 1.107 1.388 1.00 . A A . 12 GLN CA 1 1 7 2446 1 1 12 GLN CB C -0.591 -0.084 2.138 1.00 . A A . 12 GLN CB 1 1 7 2447 1 1 12 GLN CD C -0.472 -1.870 3.905 1.00 . A A . 12 GLN CD 1 1 7 2448 1 1 12 GLN CG C 0.311 -0.766 3.182 1.00 . A A . 12 GLN CG 1 1 7 2449 1 1 12 GLN H H -1.801 1.302 0.503 1.00 . A A . 12 GLN H 1 1 7 2450 1 1 12 GLN HA H 0.460 1.806 2.107 1.00 . A A . 12 GLN HA 1 1 7 2451 1 1 12 GLN HB2 H -1.490 0.311 2.664 1.00 . A A . 12 GLN HB2 1 1 7 2452 1 1 12 GLN HB3 H -0.942 -0.836 1.397 1.00 . A A . 12 GLN HB3 1 1 7 2453 1 1 12 GLN HE21 H 1.175 -2.314 5.059 1.00 . A A . 12 GLN HE21 1 1 7 2454 1 1 12 GLN HE22 H -0.229 -3.276 5.386 1.00 . A A . 12 GLN HE22 1 1 7 2455 1 1 12 GLN HG2 H 1.197 -1.217 2.687 1.00 . A A . 12 GLN HG2 1 1 7 2456 1 1 12 GLN HG3 H 0.655 -0.013 3.923 1.00 . A A . 12 GLN HG3 1 1 7 2457 1 1 12 GLN N N -0.945 1.801 0.612 1.00 . A A . 12 GLN N 1 1 7 2458 1 1 12 GLN NE2 N 0.221 -2.548 4.870 1.00 . A A . 12 GLN NE2 1 1 7 2459 1 1 12 GLN O O 2.289 0.380 0.975 1.00 . A A . 12 GLN O 1 1 7 2460 1 1 12 GLN OE1 O -1.650 -2.116 3.622 1.00 . A A . 12 GLN OE1 1 1 7 2461 1 1 13 VAL C C 2.876 1.066 -2.089 1.00 . A A . 13 VAL C 1 1 7 2462 1 1 13 VAL CA C 1.865 -0.015 -1.803 1.00 . A A . 13 VAL CA 1 1 7 2463 1 1 13 VAL CB C 1.191 -0.464 -3.100 1.00 . A A . 13 VAL CB 1 1 7 2464 1 1 13 VAL CG1 C 2.221 -0.994 -4.121 1.00 . A A . 13 VAL CG1 1 1 7 2465 1 1 13 VAL CG2 C 0.153 -1.553 -2.763 1.00 . A A . 13 VAL CG2 1 1 7 2466 1 1 13 VAL H H 0.000 0.647 -1.178 1.00 . A A . 13 VAL H 1 1 7 2467 1 1 13 VAL HA H 2.394 -0.839 -1.368 1.00 . A A . 13 VAL HA 1 1 7 2468 1 1 13 VAL HB H 0.649 0.393 -3.557 1.00 . A A . 13 VAL HB 1 1 7 2469 1 1 13 VAL HG11 H 2.889 -0.184 -4.475 1.00 . A A . 13 VAL HG11 1 1 7 2470 1 1 13 VAL HG12 H 1.696 -1.412 -5.005 1.00 . A A . 13 VAL HG12 1 1 7 2471 1 1 13 VAL HG13 H 2.838 -1.797 -3.665 1.00 . A A . 13 VAL HG13 1 1 7 2472 1 1 13 VAL HG21 H -0.311 -1.938 -3.695 1.00 . A A . 13 VAL HG21 1 1 7 2473 1 1 13 VAL HG22 H -0.655 -1.144 -2.125 1.00 . A A . 13 VAL HG22 1 1 7 2474 1 1 13 VAL HG23 H 0.636 -2.401 -2.232 1.00 . A A . 13 VAL HG23 1 1 7 2475 1 1 13 VAL N N 0.908 0.446 -0.817 1.00 . A A . 13 VAL N 1 1 7 2476 1 1 13 VAL O O 4.041 0.786 -2.358 1.00 . A A . 13 VAL O 1 1 7 2477 1 1 14 LYS C C 4.235 3.694 -1.074 1.00 . A A . 14 LYS C 1 1 7 2478 1 1 14 LYS CA C 3.268 3.507 -2.220 1.00 . A A . 14 LYS CA 1 1 7 2479 1 1 14 LYS CB C 2.453 4.818 -2.378 1.00 . A A . 14 LYS CB 1 1 7 2480 1 1 14 LYS CD C 0.770 4.124 -4.268 1.00 . A A . 14 LYS CD 1 1 7 2481 1 1 14 LYS CE C 1.290 3.028 -5.211 1.00 . A A . 14 LYS CE 1 1 7 2482 1 1 14 LYS CG C 1.861 5.091 -3.777 1.00 . A A . 14 LYS CG 1 1 7 2483 1 1 14 LYS H H 1.500 2.492 -1.716 1.00 . A A . 14 LYS H 1 1 7 2484 1 1 14 LYS HA H 3.847 3.344 -3.120 1.00 . A A . 14 LYS HA 1 1 7 2485 1 1 14 LYS HB2 H 1.640 4.841 -1.623 1.00 . A A . 14 LYS HB2 1 1 7 2486 1 1 14 LYS HB3 H 3.117 5.690 -2.171 1.00 . A A . 14 LYS HB3 1 1 7 2487 1 1 14 LYS HD2 H 0.251 3.682 -3.392 1.00 . A A . 14 LYS HD2 1 1 7 2488 1 1 14 LYS HD3 H 0.021 4.725 -4.835 1.00 . A A . 14 LYS HD3 1 1 7 2489 1 1 14 LYS HE2 H 1.764 3.483 -6.107 1.00 . A A . 14 LYS HE2 1 1 7 2490 1 1 14 LYS HE3 H 2.029 2.377 -4.701 1.00 . A A . 14 LYS HE3 1 1 7 2491 1 1 14 LYS HG2 H 1.399 6.104 -3.725 1.00 . A A . 14 LYS HG2 1 1 7 2492 1 1 14 LYS HG3 H 2.679 5.142 -4.528 1.00 . A A . 14 LYS HG3 1 1 7 2493 1 1 14 LYS HZ1 H -0.270 1.709 -4.864 1.00 . A A . 14 LYS HZ1 1 1 7 2494 1 1 14 LYS HZ2 H 0.554 1.438 -6.323 1.00 . A A . 14 LYS HZ2 1 1 7 2495 1 1 14 LYS HZ3 H -0.519 2.747 -6.185 1.00 . A A . 14 LYS HZ3 1 1 7 2496 1 1 14 LYS N N 2.444 2.338 -1.988 1.00 . A A . 14 LYS N 1 1 7 2497 1 1 14 LYS NZ N 0.181 2.166 -5.682 1.00 . A A . 14 LYS NZ 1 1 7 2498 1 1 14 LYS O O 5.349 4.169 -1.281 1.00 . A A . 14 LYS O 1 1 7 2499 1 1 15 VAL C C 5.676 2.272 1.324 1.00 . A A . 15 VAL C 1 1 7 2500 1 1 15 VAL CA C 4.636 3.371 1.359 1.00 . A A . 15 VAL CA 1 1 7 2501 1 1 15 VAL CB C 3.780 3.251 2.619 1.00 . A A . 15 VAL CB 1 1 7 2502 1 1 15 VAL CG1 C 4.645 3.319 3.897 1.00 . A A . 15 VAL CG1 1 1 7 2503 1 1 15 VAL CG2 C 2.735 4.387 2.614 1.00 . A A . 15 VAL CG2 1 1 7 2504 1 1 15 VAL H H 2.920 2.911 0.290 1.00 . A A . 15 VAL H 1 1 7 2505 1 1 15 VAL HA H 5.144 4.326 1.364 1.00 . A A . 15 VAL HA 1 1 7 2506 1 1 15 VAL HB H 3.236 2.280 2.612 1.00 . A A . 15 VAL HB 1 1 7 2507 1 1 15 VAL HG11 H 5.316 2.438 3.975 1.00 . A A . 15 VAL HG11 1 1 7 2508 1 1 15 VAL HG12 H 3.991 3.330 4.795 1.00 . A A . 15 VAL HG12 1 1 7 2509 1 1 15 VAL HG13 H 5.260 4.243 3.897 1.00 . A A . 15 VAL HG13 1 1 7 2510 1 1 15 VAL HG21 H 2.056 4.307 1.742 1.00 . A A . 15 VAL HG21 1 1 7 2511 1 1 15 VAL HG22 H 3.242 5.375 2.581 1.00 . A A . 15 VAL HG22 1 1 7 2512 1 1 15 VAL HG23 H 2.117 4.338 3.535 1.00 . A A . 15 VAL HG23 1 1 7 2513 1 1 15 VAL N N 3.830 3.296 0.157 1.00 . A A . 15 VAL N 1 1 7 2514 1 1 15 VAL O O 6.807 2.460 1.774 1.00 . A A . 15 VAL O 1 1 7 2515 1 1 16 PHE C C 7.271 0.194 -0.369 1.00 . A A . 16 PHE C 1 1 7 2516 1 1 16 PHE CA C 6.159 -0.063 0.626 1.00 . A A . 16 PHE CA 1 1 7 2517 1 1 16 PHE CB C 5.331 -1.304 0.183 1.00 . A A . 16 PHE CB 1 1 7 2518 1 1 16 PHE CD1 C 6.325 -3.241 1.480 1.00 . A A . 16 PHE CD1 1 1 7 2519 1 1 16 PHE CD2 C 6.697 -3.134 -0.912 1.00 . A A . 16 PHE CD2 1 1 7 2520 1 1 16 PHE CE1 C 7.078 -4.421 1.543 1.00 . A A . 16 PHE CE1 1 1 7 2521 1 1 16 PHE CE2 C 7.457 -4.309 -0.848 1.00 . A A . 16 PHE CE2 1 1 7 2522 1 1 16 PHE CG C 6.127 -2.586 0.252 1.00 . A A . 16 PHE CG 1 1 7 2523 1 1 16 PHE CZ C 7.647 -4.953 0.381 1.00 . A A . 16 PHE CZ 1 1 7 2524 1 1 16 PHE H H 4.394 0.988 0.375 1.00 . A A . 16 PHE H 1 1 7 2525 1 1 16 PHE HA H 6.595 -0.246 1.597 1.00 . A A . 16 PHE HA 1 1 7 2526 1 1 16 PHE HB2 H 4.458 -1.418 0.861 1.00 . A A . 16 PHE HB2 1 1 7 2527 1 1 16 PHE HB3 H 4.947 -1.171 -0.850 1.00 . A A . 16 PHE HB3 1 1 7 2528 1 1 16 PHE HD1 H 5.898 -2.832 2.383 1.00 . A A . 16 PHE HD1 1 1 7 2529 1 1 16 PHE HD2 H 6.559 -2.637 -1.860 1.00 . A A . 16 PHE HD2 1 1 7 2530 1 1 16 PHE HE1 H 7.228 -4.917 2.490 1.00 . A A . 16 PHE HE1 1 1 7 2531 1 1 16 PHE HE2 H 7.895 -4.718 -1.746 1.00 . A A . 16 PHE HE2 1 1 7 2532 1 1 16 PHE HZ H 8.235 -5.858 0.431 1.00 . A A . 16 PHE HZ 1 1 7 2533 1 1 16 PHE N N 5.312 1.102 0.747 1.00 . A A . 16 PHE N 1 1 7 2534 1 1 16 PHE O O 8.380 -0.303 -0.197 1.00 . A A . 16 PHE O 1 1 7 2535 1 1 17 ASN C C 8.846 2.426 -2.041 1.00 . A A . 17 ASN C 1 1 7 2536 1 1 17 ASN CA C 7.922 1.318 -2.482 1.00 . A A . 17 ASN CA 1 1 7 2537 1 1 17 ASN CB C 7.212 1.813 -3.769 1.00 . A A . 17 ASN CB 1 1 7 2538 1 1 17 ASN CG C 6.379 0.689 -4.405 1.00 . A A . 17 ASN CG 1 1 7 2539 1 1 17 ASN H H 6.079 1.389 -1.534 1.00 . A A . 17 ASN H 1 1 7 2540 1 1 17 ASN HA H 8.524 0.445 -2.698 1.00 . A A . 17 ASN HA 1 1 7 2541 1 1 17 ASN HB2 H 6.550 2.672 -3.524 1.00 . A A . 17 ASN HB2 1 1 7 2542 1 1 17 ASN HB3 H 7.964 2.146 -4.518 1.00 . A A . 17 ASN HB3 1 1 7 2543 1 1 17 ASN HD21 H 5.331 2.070 -5.515 1.00 . A A . 17 ASN HD21 1 1 7 2544 1 1 17 ASN HD22 H 4.858 0.421 -5.765 1.00 . A A . 17 ASN HD22 1 1 7 2545 1 1 17 ASN N N 6.987 0.993 -1.427 1.00 . A A . 17 ASN N 1 1 7 2546 1 1 17 ASN ND2 N 5.438 1.097 -5.310 1.00 . A A . 17 ASN ND2 1 1 7 2547 1 1 17 ASN O O 9.971 2.522 -2.527 1.00 . A A . 17 ASN O 1 1 7 2548 1 1 17 ASN OD1 O 6.563 -0.499 -4.114 1.00 . A A . 17 ASN OD1 1 1 7 2549 1 1 18 HIS C C 10.283 4.008 0.223 1.00 . A A . 18 HIS C 1 1 7 2550 1 1 18 HIS CA C 9.108 4.439 -0.615 1.00 . A A . 18 HIS CA 1 1 7 2551 1 1 18 HIS CB C 8.212 5.378 0.223 1.00 . A A . 18 HIS CB 1 1 7 2552 1 1 18 HIS CD2 C 9.565 6.971 1.748 1.00 . A A . 18 HIS CD2 1 1 7 2553 1 1 18 HIS CE1 C 9.762 8.671 0.467 1.00 . A A . 18 HIS CE1 1 1 7 2554 1 1 18 HIS CG C 8.897 6.659 0.606 1.00 . A A . 18 HIS CG 1 1 7 2555 1 1 18 HIS H H 7.471 3.172 -0.713 1.00 . A A . 18 HIS H 1 1 7 2556 1 1 18 HIS HA H 9.478 4.990 -1.466 1.00 . A A . 18 HIS HA 1 1 7 2557 1 1 18 HIS HB2 H 7.306 5.635 -0.367 1.00 . A A . 18 HIS HB2 1 1 7 2558 1 1 18 HIS HB3 H 7.874 4.858 1.146 1.00 . A A . 18 HIS HB3 1 1 7 2559 1 1 18 HIS HD1 H 8.667 7.841 -1.147 1.00 . A A . 18 HIS HD1 1 1 7 2560 1 1 18 HIS HD2 H 9.728 6.360 2.626 1.00 . A A . 18 HIS HD2 1 1 7 2561 1 1 18 HIS HE1 H 10.023 9.644 0.055 1.00 . A A . 18 HIS HE1 1 1 7 2562 1 1 18 HIS N N 8.382 3.288 -1.102 1.00 . A A . 18 HIS N 1 1 7 2563 1 1 18 HIS ND1 N 9.032 7.755 -0.219 1.00 . A A . 18 HIS ND1 1 1 7 2564 1 1 18 HIS NE2 N 10.108 8.240 1.665 1.00 . A A . 18 HIS NE2 1 1 7 2565 1 1 18 HIS O O 11.393 4.509 0.047 1.00 . A A . 18 HIS O 1 1 7 2566 1 1 19 GLY C C 11.885 1.476 1.210 1.00 . A A . 19 GLY C 1 1 7 2567 1 1 19 GLY CA C 11.092 2.489 1.982 1.00 . A A . 19 GLY CA 1 1 7 2568 1 1 19 GLY H H 9.148 2.650 1.269 1.00 . A A . 19 GLY H 1 1 7 2569 1 1 19 GLY HA2 H 11.749 3.285 2.303 1.00 . A A . 19 GLY HA2 1 1 7 2570 1 1 19 GLY HA3 H 10.598 1.983 2.798 1.00 . A A . 19 GLY HA3 1 1 7 2571 1 1 19 GLY N N 10.057 3.041 1.142 1.00 . A A . 19 GLY N 1 1 7 2572 1 1 19 GLY O O 13.105 1.403 1.352 1.00 . A A . 19 GLY O 1 1 7 2573 1 1 20 GLU C C 12.228 -1.489 0.354 1.00 . A A . 20 GLU C 1 1 7 2574 1 1 20 GLU CA C 11.707 -0.358 -0.487 1.00 . A A . 20 GLU CA 1 1 7 2575 1 1 20 GLU CB C 12.722 0.137 -1.548 1.00 . A A . 20 GLU CB 1 1 7 2576 1 1 20 GLU CD C 13.945 -0.285 -3.696 1.00 . A A . 20 GLU CD 1 1 7 2577 1 1 20 GLU CG C 12.982 -0.883 -2.673 1.00 . A A . 20 GLU CG 1 1 7 2578 1 1 20 GLU H H 10.186 0.764 0.324 1.00 . A A . 20 GLU H 1 1 7 2579 1 1 20 GLU HA H 10.850 -0.731 -1.028 1.00 . A A . 20 GLU HA 1 1 7 2580 1 1 20 GLU HB2 H 12.301 1.060 -2.006 1.00 . A A . 20 GLU HB2 1 1 7 2581 1 1 20 GLU HB3 H 13.679 0.414 -1.056 1.00 . A A . 20 GLU HB3 1 1 7 2582 1 1 20 GLU HG2 H 13.417 -1.813 -2.248 1.00 . A A . 20 GLU HG2 1 1 7 2583 1 1 20 GLU HG3 H 12.026 -1.140 -3.176 1.00 . A A . 20 GLU HG3 1 1 7 2584 1 1 20 GLU N N 11.177 0.673 0.376 1.00 . A A . 20 GLU N 1 1 7 2585 1 1 20 GLU O O 13.433 -1.722 0.455 1.00 . A A . 20 GLU O 1 1 7 2586 1 1 20 GLU OE1 O 13.574 0.737 -4.333 1.00 . A A . 20 GLU OE1 1 1 7 2587 1 1 20 GLU OE2 O 15.064 -0.843 -3.856 1.00 . A A . 20 GLU OE2 1 1 7 2588 1 1 21 HIS C C 11.803 -4.525 1.331 1.00 . A A . 21 HIS C 1 1 7 2589 1 1 21 HIS CA C 11.589 -3.199 1.997 1.00 . A A . 21 HIS CA 1 1 7 2590 1 1 21 HIS CB C 10.469 -3.366 3.041 1.00 . A A . 21 HIS CB 1 1 7 2591 1 1 21 HIS CD2 C 9.072 -1.218 3.294 1.00 . A A . 21 HIS CD2 1 1 7 2592 1 1 21 HIS CE1 C 10.144 -0.214 4.846 1.00 . A A . 21 HIS CE1 1 1 7 2593 1 1 21 HIS CG C 10.086 -2.049 3.646 1.00 . A A . 21 HIS CG 1 1 7 2594 1 1 21 HIS H H 10.320 -1.981 0.920 1.00 . A A . 21 HIS H 1 1 7 2595 1 1 21 HIS HA H 12.481 -2.891 2.514 1.00 . A A . 21 HIS HA 1 1 7 2596 1 1 21 HIS HB2 H 9.562 -3.781 2.555 1.00 . A A . 21 HIS HB2 1 1 7 2597 1 1 21 HIS HB3 H 10.784 -4.065 3.846 1.00 . A A . 21 HIS HB3 1 1 7 2598 1 1 21 HIS HD1 H 11.603 -1.731 5.103 1.00 . A A . 21 HIS HD1 1 1 7 2599 1 1 21 HIS HD2 H 8.333 -1.352 2.519 1.00 . A A . 21 HIS HD2 1 1 7 2600 1 1 21 HIS HE1 H 10.479 0.515 5.582 1.00 . A A . 21 HIS HE1 1 1 7 2601 1 1 21 HIS N N 11.285 -2.196 1.015 1.00 . A A . 21 HIS N 1 1 7 2602 1 1 21 HIS ND1 N 10.780 -1.395 4.641 1.00 . A A . 21 HIS ND1 1 1 7 2603 1 1 21 HIS NE2 N 9.102 -0.062 4.050 1.00 . A A . 21 HIS NE2 1 1 7 2604 1 1 21 HIS O O 11.200 -4.823 0.301 1.00 . A A . 21 HIS O 1 1 7 2605 1 1 22 ILE C C 12.178 -7.515 2.587 1.00 . A A . 22 ILE C 1 1 7 2606 1 1 22 ILE CA C 12.917 -6.721 1.557 1.00 . A A . 22 ILE CA 1 1 7 2607 1 1 22 ILE CB C 14.399 -7.090 1.524 1.00 . A A . 22 ILE CB 1 1 7 2608 1 1 22 ILE CD1 C 14.752 -6.148 -0.883 1.00 . A A . 22 ILE CD1 1 1 7 2609 1 1 22 ILE CG1 C 15.200 -6.146 0.584 1.00 . A A . 22 ILE CG1 1 1 7 2610 1 1 22 ILE CG2 C 14.564 -8.576 1.130 1.00 . A A . 22 ILE CG2 1 1 7 2611 1 1 22 ILE H H 13.180 -5.054 2.752 1.00 . A A . 22 ILE H 1 1 7 2612 1 1 22 ILE HA H 12.461 -6.919 0.611 1.00 . A A . 22 ILE HA 1 1 7 2613 1 1 22 ILE HB H 14.837 -6.959 2.540 1.00 . A A . 22 ILE HB 1 1 7 2614 1 1 22 ILE HD11 H 15.404 -5.473 -1.479 1.00 . A A . 22 ILE HD11 1 1 7 2615 1 1 22 ILE HD12 H 13.705 -5.791 -0.981 1.00 . A A . 22 ILE HD12 1 1 7 2616 1 1 22 ILE HD13 H 14.824 -7.168 -1.316 1.00 . A A . 22 ILE HD13 1 1 7 2617 1 1 22 ILE HG12 H 15.138 -5.105 0.973 1.00 . A A . 22 ILE HG12 1 1 7 2618 1 1 22 ILE HG13 H 16.270 -6.451 0.623 1.00 . A A . 22 ILE HG13 1 1 7 2619 1 1 22 ILE HG21 H 14.068 -8.782 0.158 1.00 . A A . 22 ILE HG21 1 1 7 2620 1 1 22 ILE HG22 H 14.121 -9.243 1.899 1.00 . A A . 22 ILE HG22 1 1 7 2621 1 1 22 ILE HG23 H 15.641 -8.826 1.039 1.00 . A A . 22 ILE HG23 1 1 7 2622 1 1 22 ILE N N 12.683 -5.350 1.941 1.00 . A A . 22 ILE N 1 1 7 2623 1 1 22 ILE O O 11.284 -8.304 2.286 1.00 . A A . 22 ILE O 1 1 7 2624 1 1 23 HIS C C 11.918 -6.593 5.986 1.00 . A A . 23 HIS C 1 1 7 2625 1 1 23 HIS CA C 11.915 -7.748 5.027 1.00 . A A . 23 HIS CA 1 1 7 2626 1 1 23 HIS CB C 12.644 -8.963 5.649 1.00 . A A . 23 HIS CB 1 1 7 2627 1 1 23 HIS CD2 C 12.323 -9.650 8.152 1.00 . A A . 23 HIS CD2 1 1 7 2628 1 1 23 HIS CE1 C 10.376 -10.533 8.038 1.00 . A A . 23 HIS CE1 1 1 7 2629 1 1 23 HIS CG C 11.943 -9.556 6.847 1.00 . A A . 23 HIS CG 1 1 7 2630 1 1 23 HIS H H 13.269 -6.591 3.986 1.00 . A A . 23 HIS H 1 1 7 2631 1 1 23 HIS HA H 10.896 -7.983 4.779 1.00 . A A . 23 HIS HA 1 1 7 2632 1 1 23 HIS HB2 H 12.711 -9.761 4.875 1.00 . A A . 23 HIS HB2 1 1 7 2633 1 1 23 HIS HB3 H 13.684 -8.671 5.916 1.00 . A A . 23 HIS HB3 1 1 7 2634 1 1 23 HIS HD1 H 10.126 -10.218 5.958 1.00 . A A . 23 HIS HD1 1 1 7 2635 1 1 23 HIS HD2 H 13.228 -9.323 8.649 1.00 . A A . 23 HIS HD2 1 1 7 2636 1 1 23 HIS HE1 H 9.435 -11.023 8.281 1.00 . A A . 23 HIS HE1 1 1 7 2637 1 1 23 HIS N N 12.552 -7.254 3.848 1.00 . A A . 23 HIS N 1 1 7 2638 1 1 23 HIS ND1 N 10.688 -10.125 6.782 1.00 . A A . 23 HIS ND1 1 1 7 2639 1 1 23 HIS NE2 N 11.336 -10.266 8.902 1.00 . A A . 23 HIS NE2 1 1 7 2640 1 1 23 HIS O O 12.801 -5.736 5.935 1.00 . A A . 23 HIS O 1 1 7 2641 1 1 24 HIS C C 11.553 -5.858 9.119 1.00 . A A . 24 HIS C 1 1 7 2642 1 1 24 HIS CA C 10.757 -5.487 7.853 1.00 . A A . 24 HIS CA 1 1 7 2643 1 1 24 HIS CB C 9.281 -5.226 8.229 1.00 . A A . 24 HIS CB 1 1 7 2644 1 1 24 HIS CD2 C 7.475 -5.395 6.371 1.00 . A A . 24 HIS CD2 1 1 7 2645 1 1 24 HIS CE1 C 7.728 -3.497 5.417 1.00 . A A . 24 HIS CE1 1 1 7 2646 1 1 24 HIS CG C 8.465 -4.760 7.056 1.00 . A A . 24 HIS CG 1 1 7 2647 1 1 24 HIS H H 10.201 -7.248 6.902 1.00 . A A . 24 HIS H 1 1 7 2648 1 1 24 HIS HA H 11.172 -4.573 7.449 1.00 . A A . 24 HIS HA 1 1 7 2649 1 1 24 HIS HB2 H 8.822 -6.159 8.620 1.00 . A A . 24 HIS HB2 1 1 7 2650 1 1 24 HIS HB3 H 9.225 -4.451 9.024 1.00 . A A . 24 HIS HB3 1 1 7 2651 1 1 24 HIS HD1 H 9.283 -2.829 6.693 1.00 . A A . 24 HIS HD1 1 1 7 2652 1 1 24 HIS HD2 H 7.049 -6.378 6.530 1.00 . A A . 24 HIS HD2 1 1 7 2653 1 1 24 HIS HE1 H 7.634 -2.641 4.751 1.00 . A A . 24 HIS HE1 1 1 7 2654 1 1 24 HIS N N 10.904 -6.541 6.878 1.00 . A A . 24 HIS N 1 1 7 2655 1 1 24 HIS ND1 N 8.625 -3.539 6.435 1.00 . A A . 24 HIS ND1 1 1 7 2656 1 1 24 HIS NE2 N 7.010 -4.601 5.338 1.00 . A A . 24 HIS NE2 1 1 7 2657 1 1 24 HIS O O 12.506 -5.156 9.479 1.00 . A A . 24 HIS O 1 1 7 2658 1 1 25 NH2 HN1 H 10.373 -7.510 9.462 1.00 . A A . 25 NH2 HN1 1 1 7 2659 1 1 25 NH2 HN2 H 11.643 -7.268 10.615 1.00 . A A . 25 NH2 HN2 1 1 7 2660 1 1 25 NH2 N N 11.152 -6.978 9.795 1.00 . A A . 25 NH2 N 1 1 8 2661 1 1 1 ACE C C -8.024 2.403 7.664 1.00 . A A . 1 ACE C 1 1 8 2662 1 1 1 ACE CH3 C -7.486 3.692 8.193 1.00 . A A . 1 ACE CH3 1 1 8 2663 1 1 1 ACE H1 H -6.406 3.590 8.433 1.00 . A A . 1 ACE H1 1 1 8 2664 1 1 1 ACE H2 H -7.605 4.499 7.437 1.00 . A A . 1 ACE H2 1 1 8 2665 1 1 1 ACE H3 H -8.030 3.987 9.117 1.00 . A A . 1 ACE H3 1 1 8 2666 1 1 1 ACE O O -7.322 1.393 7.633 1.00 . A A . 1 ACE O 1 1 8 2667 1 1 2 PHE C C -9.778 1.326 5.177 1.00 . A A . 2 PHE C 1 1 8 2668 1 1 2 PHE CA C -9.981 1.280 6.668 1.00 . A A . 2 PHE CA 1 1 8 2669 1 1 2 PHE CB C -11.500 1.287 7.010 1.00 . A A . 2 PHE CB 1 1 8 2670 1 1 2 PHE CD1 C -11.856 -1.226 6.968 1.00 . A A . 2 PHE CD1 1 1 8 2671 1 1 2 PHE CD2 C -13.260 0.169 5.573 1.00 . A A . 2 PHE CD2 1 1 8 2672 1 1 2 PHE CE1 C -12.500 -2.367 6.474 1.00 . A A . 2 PHE CE1 1 1 8 2673 1 1 2 PHE CE2 C -13.905 -0.969 5.078 1.00 . A A . 2 PHE CE2 1 1 8 2674 1 1 2 PHE CG C -12.224 0.056 6.517 1.00 . A A . 2 PHE CG 1 1 8 2675 1 1 2 PHE CZ C -13.524 -2.239 5.527 1.00 . A A . 2 PHE CZ 1 1 8 2676 1 1 2 PHE H H -9.845 3.261 7.263 1.00 . A A . 2 PHE H 1 1 8 2677 1 1 2 PHE HA H -9.526 0.380 7.061 1.00 . A A . 2 PHE HA 1 1 8 2678 1 1 2 PHE HB2 H -11.624 1.320 8.113 1.00 . A A . 2 PHE HB2 1 1 8 2679 1 1 2 PHE HB3 H -11.983 2.192 6.580 1.00 . A A . 2 PHE HB3 1 1 8 2680 1 1 2 PHE HD1 H -11.063 -1.335 7.692 1.00 . A A . 2 PHE HD1 1 1 8 2681 1 1 2 PHE HD2 H -13.553 1.144 5.214 1.00 . A A . 2 PHE HD2 1 1 8 2682 1 1 2 PHE HE1 H -12.205 -3.346 6.822 1.00 . A A . 2 PHE HE1 1 1 8 2683 1 1 2 PHE HE2 H -14.693 -0.869 4.346 1.00 . A A . 2 PHE HE2 1 1 8 2684 1 1 2 PHE HZ H -14.019 -3.120 5.144 1.00 . A A . 2 PHE HZ 1 1 8 2685 1 1 2 PHE N N -9.304 2.425 7.226 1.00 . A A . 2 PHE N 1 1 8 2686 1 1 2 PHE O O -9.741 2.399 4.575 1.00 . A A . 2 PHE O 1 1 8 2687 1 1 3 GLU C C -10.883 -0.283 2.619 1.00 . A A . 3 GLU C 1 1 8 2688 1 1 3 GLU CA C -9.497 -0.049 3.140 1.00 . A A . 3 GLU CA 1 1 8 2689 1 1 3 GLU CB C -8.604 -1.253 2.742 1.00 . A A . 3 GLU CB 1 1 8 2690 1 1 3 GLU CD C -6.782 -1.064 4.520 1.00 . A A . 3 GLU CD 1 1 8 2691 1 1 3 GLU CG C -7.097 -1.068 3.024 1.00 . A A . 3 GLU CG 1 1 8 2692 1 1 3 GLU H H -9.688 -0.719 5.080 1.00 . A A . 3 GLU H 1 1 8 2693 1 1 3 GLU HA H -9.100 0.853 2.695 1.00 . A A . 3 GLU HA 1 1 8 2694 1 1 3 GLU HB2 H -8.962 -2.176 3.247 1.00 . A A . 3 GLU HB2 1 1 8 2695 1 1 3 GLU HB3 H -8.697 -1.411 1.642 1.00 . A A . 3 GLU HB3 1 1 8 2696 1 1 3 GLU HG2 H -6.539 -1.906 2.551 1.00 . A A . 3 GLU HG2 1 1 8 2697 1 1 3 GLU HG3 H -6.752 -0.121 2.561 1.00 . A A . 3 GLU HG3 1 1 8 2698 1 1 3 GLU N N -9.646 0.128 4.560 1.00 . A A . 3 GLU N 1 1 8 2699 1 1 3 GLU O O -11.351 -1.418 2.532 1.00 . A A . 3 GLU O 1 1 8 2700 1 1 3 GLU OE1 O -7.075 -2.090 5.191 1.00 . A A . 3 GLU OE1 1 1 8 2701 1 1 3 GLU OE2 O -6.239 -0.038 5.010 1.00 . A A . 3 GLU OE2 1 1 8 2702 1 1 4 ASP C C -12.793 0.650 0.259 1.00 . A A . 4 ASP C 1 1 8 2703 1 1 4 ASP CA C -12.918 0.813 1.743 1.00 . A A . 4 ASP CA 1 1 8 2704 1 1 4 ASP CB C -13.724 2.094 2.106 1.00 . A A . 4 ASP CB 1 1 8 2705 1 1 4 ASP CG C -15.209 1.936 1.762 1.00 . A A . 4 ASP CG 1 1 8 2706 1 1 4 ASP H H -11.145 1.720 2.381 1.00 . A A . 4 ASP H 1 1 8 2707 1 1 4 ASP HA H -13.420 -0.050 2.127 1.00 . A A . 4 ASP HA 1 1 8 2708 1 1 4 ASP HB2 H -13.652 2.269 3.201 1.00 . A A . 4 ASP HB2 1 1 8 2709 1 1 4 ASP HB3 H -13.312 2.986 1.592 1.00 . A A . 4 ASP HB3 1 1 8 2710 1 1 4 ASP N N -11.573 0.827 2.273 1.00 . A A . 4 ASP N 1 1 8 2711 1 1 4 ASP O O -13.322 -0.285 -0.339 1.00 . A A . 4 ASP O 1 1 8 2712 1 1 4 ASP OD1 O -15.854 1.018 2.335 1.00 . A A . 4 ASP OD1 1 1 8 2713 1 1 4 ASP OD2 O -15.715 2.733 0.927 1.00 . A A . 4 ASP OD2 1 1 8 2714 1 1 5 LEU C C -10.360 0.786 -1.803 1.00 . A A . 5 LEU C 1 1 8 2715 1 1 5 LEU CA C -11.653 1.574 -1.729 1.00 . A A . 5 LEU CA 1 1 8 2716 1 1 5 LEU CB C -11.395 2.990 -2.312 1.00 . A A . 5 LEU CB 1 1 8 2717 1 1 5 LEU CD1 C -13.346 4.366 -1.291 1.00 . A A . 5 LEU CD1 1 1 8 2718 1 1 5 LEU CD2 C -12.306 5.039 -3.496 1.00 . A A . 5 LEU CD2 1 1 8 2719 1 1 5 LEU CG C -12.655 3.856 -2.570 1.00 . A A . 5 LEU CG 1 1 8 2720 1 1 5 LEU H H -11.647 2.288 0.244 1.00 . A A . 5 LEU H 1 1 8 2721 1 1 5 LEU HA H -12.434 1.084 -2.293 1.00 . A A . 5 LEU HA 1 1 8 2722 1 1 5 LEU HB2 H -10.698 3.549 -1.651 1.00 . A A . 5 LEU HB2 1 1 8 2723 1 1 5 LEU HB3 H -10.901 2.875 -3.305 1.00 . A A . 5 LEU HB3 1 1 8 2724 1 1 5 LEU HD11 H -13.747 3.523 -0.696 1.00 . A A . 5 LEU HD11 1 1 8 2725 1 1 5 LEU HD12 H -14.196 5.032 -1.557 1.00 . A A . 5 LEU HD12 1 1 8 2726 1 1 5 LEU HD13 H -12.630 4.941 -0.667 1.00 . A A . 5 LEU HD13 1 1 8 2727 1 1 5 LEU HD21 H -11.872 4.669 -4.449 1.00 . A A . 5 LEU HD21 1 1 8 2728 1 1 5 LEU HD22 H -11.567 5.706 -3.004 1.00 . A A . 5 LEU HD22 1 1 8 2729 1 1 5 LEU HD23 H -13.218 5.629 -3.729 1.00 . A A . 5 LEU HD23 1 1 8 2730 1 1 5 LEU HG H -13.388 3.221 -3.120 1.00 . A A . 5 LEU HG 1 1 8 2731 1 1 5 LEU N N -12.026 1.578 -0.336 1.00 . A A . 5 LEU N 1 1 8 2732 1 1 5 LEU O O -9.612 0.794 -0.825 1.00 . A A . 5 LEU O 1 1 8 2733 1 1 6 PRO C C -7.649 0.207 -3.410 1.00 . A A . 6 PRO C 1 1 8 2734 1 1 6 PRO CA C -8.804 -0.678 -3.025 1.00 . A A . 6 PRO CA 1 1 8 2735 1 1 6 PRO CB C -9.115 -1.670 -4.154 1.00 . A A . 6 PRO CB 1 1 8 2736 1 1 6 PRO CD C -10.920 -0.105 -4.048 1.00 . A A . 6 PRO CD 1 1 8 2737 1 1 6 PRO CG C -10.095 -0.911 -5.054 1.00 . A A . 6 PRO CG 1 1 8 2738 1 1 6 PRO HA H -8.568 -1.136 -2.081 1.00 . A A . 6 PRO HA 1 1 8 2739 1 1 6 PRO HB2 H -8.218 -2.020 -4.703 1.00 . A A . 6 PRO HB2 1 1 8 2740 1 1 6 PRO HB3 H -9.637 -2.552 -3.722 1.00 . A A . 6 PRO HB3 1 1 8 2741 1 1 6 PRO HD2 H -11.235 0.870 -4.479 1.00 . A A . 6 PRO HD2 1 1 8 2742 1 1 6 PRO HD3 H -11.806 -0.688 -3.718 1.00 . A A . 6 PRO HD3 1 1 8 2743 1 1 6 PRO HG2 H -9.532 -0.216 -5.714 1.00 . A A . 6 PRO HG2 1 1 8 2744 1 1 6 PRO HG3 H -10.718 -1.588 -5.670 1.00 . A A . 6 PRO HG3 1 1 8 2745 1 1 6 PRO N N -10.033 0.093 -2.898 1.00 . A A . 6 PRO N 1 1 8 2746 1 1 6 PRO O O -6.561 -0.303 -3.663 1.00 . A A . 6 PRO O 1 1 8 2747 1 1 7 ASN C C -6.265 3.001 -2.494 1.00 . A A . 7 ASN C 1 1 8 2748 1 1 7 ASN CA C -6.944 2.569 -3.759 1.00 . A A . 7 ASN CA 1 1 8 2749 1 1 7 ASN CB C -7.633 3.803 -4.389 1.00 . A A . 7 ASN CB 1 1 8 2750 1 1 7 ASN CG C -8.370 3.388 -5.670 1.00 . A A . 7 ASN CG 1 1 8 2751 1 1 7 ASN H H -8.790 1.829 -3.152 1.00 . A A . 7 ASN H 1 1 8 2752 1 1 7 ASN HA H -6.198 2.162 -4.417 1.00 . A A . 7 ASN HA 1 1 8 2753 1 1 7 ASN HB2 H -8.376 4.231 -3.681 1.00 . A A . 7 ASN HB2 1 1 8 2754 1 1 7 ASN HB3 H -6.883 4.585 -4.633 1.00 . A A . 7 ASN HB3 1 1 8 2755 1 1 7 ASN HD21 H -6.587 3.023 -6.632 1.00 . A A . 7 ASN HD21 1 1 8 2756 1 1 7 ASN HD22 H -8.004 2.730 -7.586 1.00 . A A . 7 ASN HD22 1 1 8 2757 1 1 7 ASN N N -7.886 1.530 -3.428 1.00 . A A . 7 ASN N 1 1 8 2758 1 1 7 ASN ND2 N -7.583 3.014 -6.724 1.00 . A A . 7 ASN ND2 1 1 8 2759 1 1 7 ASN O O -5.131 3.479 -2.513 1.00 . A A . 7 ASN O 1 1 8 2760 1 1 7 ASN OD1 O -9.606 3.398 -5.715 1.00 . A A . 7 ASN OD1 1 1 8 2761 1 1 8 PHE C C -5.738 1.670 0.366 1.00 . A A . 8 PHE C 1 1 8 2762 1 1 8 PHE CA C -6.445 2.953 -0.020 1.00 . A A . 8 PHE CA 1 1 8 2763 1 1 8 PHE CB C -7.583 3.267 0.989 1.00 . A A . 8 PHE CB 1 1 8 2764 1 1 8 PHE CD1 C -6.688 5.210 2.335 1.00 . A A . 8 PHE CD1 1 1 8 2765 1 1 8 PHE CD2 C -6.833 3.042 3.402 1.00 . A A . 8 PHE CD2 1 1 8 2766 1 1 8 PHE CE1 C -6.149 5.752 3.509 1.00 . A A . 8 PHE CE1 1 1 8 2767 1 1 8 PHE CE2 C -6.286 3.578 4.573 1.00 . A A . 8 PHE CE2 1 1 8 2768 1 1 8 PHE CG C -7.034 3.849 2.269 1.00 . A A . 8 PHE CG 1 1 8 2769 1 1 8 PHE CZ C -5.946 4.935 4.628 1.00 . A A . 8 PHE CZ 1 1 8 2770 1 1 8 PHE H H -7.876 2.400 -1.422 1.00 . A A . 8 PHE H 1 1 8 2771 1 1 8 PHE HA H -5.727 3.765 -0.040 1.00 . A A . 8 PHE HA 1 1 8 2772 1 1 8 PHE HB2 H -8.263 4.027 0.547 1.00 . A A . 8 PHE HB2 1 1 8 2773 1 1 8 PHE HB3 H -8.183 2.359 1.217 1.00 . A A . 8 PHE HB3 1 1 8 2774 1 1 8 PHE HD1 H -6.830 5.843 1.472 1.00 . A A . 8 PHE HD1 1 1 8 2775 1 1 8 PHE HD2 H -7.089 1.996 3.364 1.00 . A A . 8 PHE HD2 1 1 8 2776 1 1 8 PHE HE1 H -5.884 6.798 3.549 1.00 . A A . 8 PHE HE1 1 1 8 2777 1 1 8 PHE HE2 H -6.125 2.943 5.430 1.00 . A A . 8 PHE HE2 1 1 8 2778 1 1 8 PHE HZ H -5.527 5.350 5.533 1.00 . A A . 8 PHE HZ 1 1 8 2779 1 1 8 PHE N N -6.960 2.786 -1.357 1.00 . A A . 8 PHE N 1 1 8 2780 1 1 8 PHE O O -4.960 1.636 1.316 1.00 . A A . 8 PHE O 1 1 8 2781 1 1 9 GLY C C -3.901 -0.523 -0.948 1.00 . A A . 9 GLY C 1 1 8 2782 1 1 9 GLY CA C -5.237 -0.657 -0.275 1.00 . A A . 9 GLY CA 1 1 8 2783 1 1 9 GLY H H -6.623 0.609 -1.153 1.00 . A A . 9 GLY H 1 1 8 2784 1 1 9 GLY HA2 H -5.085 -0.874 0.772 1.00 . A A . 9 GLY HA2 1 1 8 2785 1 1 9 GLY HA3 H -5.805 -1.414 -0.795 1.00 . A A . 9 GLY HA3 1 1 8 2786 1 1 9 GLY N N -5.968 0.578 -0.402 1.00 . A A . 9 GLY N 1 1 8 2787 1 1 9 GLY O O -2.922 -1.131 -0.519 1.00 . A A . 9 GLY O 1 1 8 2788 1 1 10 HIS C C -1.796 1.615 -2.176 1.00 . A A . 10 HIS C 1 1 8 2789 1 1 10 HIS CA C -2.643 0.536 -2.799 1.00 . A A . 10 HIS CA 1 1 8 2790 1 1 10 HIS CB C -2.946 0.985 -4.251 1.00 . A A . 10 HIS CB 1 1 8 2791 1 1 10 HIS CD2 C -4.740 0.208 -5.953 1.00 . A A . 10 HIS CD2 1 1 8 2792 1 1 10 HIS CE1 C -4.417 -1.906 -5.926 1.00 . A A . 10 HIS CE1 1 1 8 2793 1 1 10 HIS CG C -3.743 -0.007 -5.051 1.00 . A A . 10 HIS CG 1 1 8 2794 1 1 10 HIS H H -4.649 0.784 -2.345 1.00 . A A . 10 HIS H 1 1 8 2795 1 1 10 HIS HA H -2.064 -0.377 -2.828 1.00 . A A . 10 HIS HA 1 1 8 2796 1 1 10 HIS HB2 H -3.508 1.944 -4.238 1.00 . A A . 10 HIS HB2 1 1 8 2797 1 1 10 HIS HB3 H -1.991 1.151 -4.797 1.00 . A A . 10 HIS HB3 1 1 8 2798 1 1 10 HIS HD1 H -2.857 -1.858 -4.491 1.00 . A A . 10 HIS HD1 1 1 8 2799 1 1 10 HIS HD2 H -5.192 1.138 -6.272 1.00 . A A . 10 HIS HD2 1 1 8 2800 1 1 10 HIS HE1 H -4.477 -2.975 -6.122 1.00 . A A . 10 HIS HE1 1 1 8 2801 1 1 10 HIS N N -3.839 0.299 -2.026 1.00 . A A . 10 HIS N 1 1 8 2802 1 1 10 HIS ND1 N -3.535 -1.370 -5.044 1.00 . A A . 10 HIS ND1 1 1 8 2803 1 1 10 HIS NE2 N -5.168 -0.987 -6.502 1.00 . A A . 10 HIS NE2 1 1 8 2804 1 1 10 HIS O O -0.632 1.762 -2.543 1.00 . A A . 10 HIS O 1 1 8 2805 1 1 11 ILE C C -0.699 2.980 0.462 1.00 . A A . 11 ILE C 1 1 8 2806 1 1 11 ILE CA C -1.650 3.503 -0.589 1.00 . A A . 11 ILE CA 1 1 8 2807 1 1 11 ILE CB C -2.596 4.579 -0.036 1.00 . A A . 11 ILE CB 1 1 8 2808 1 1 11 ILE CD1 C -2.060 6.449 -1.729 1.00 . A A . 11 ILE CD1 1 1 8 2809 1 1 11 ILE CG1 C -2.034 6.004 -0.263 1.00 . A A . 11 ILE CG1 1 1 8 2810 1 1 11 ILE CG2 C -2.968 4.357 1.449 1.00 . A A . 11 ILE CG2 1 1 8 2811 1 1 11 ILE H H -3.293 2.263 -0.911 1.00 . A A . 11 ILE H 1 1 8 2812 1 1 11 ILE HA H -1.048 3.956 -1.363 1.00 . A A . 11 ILE HA 1 1 8 2813 1 1 11 ILE HB H -3.545 4.518 -0.619 1.00 . A A . 11 ILE HB 1 1 8 2814 1 1 11 ILE HD11 H -1.732 7.507 -1.814 1.00 . A A . 11 ILE HD11 1 1 8 2815 1 1 11 ILE HD12 H -3.093 6.366 -2.133 1.00 . A A . 11 ILE HD12 1 1 8 2816 1 1 11 ILE HD13 H -1.386 5.824 -2.349 1.00 . A A . 11 ILE HD13 1 1 8 2817 1 1 11 ILE HG12 H -2.659 6.717 0.322 1.00 . A A . 11 ILE HG12 1 1 8 2818 1 1 11 ILE HG13 H -0.997 6.062 0.131 1.00 . A A . 11 ILE HG13 1 1 8 2819 1 1 11 ILE HG21 H -3.793 5.042 1.736 1.00 . A A . 11 ILE HG21 1 1 8 2820 1 1 11 ILE HG22 H -2.101 4.572 2.109 1.00 . A A . 11 ILE HG22 1 1 8 2821 1 1 11 ILE HG23 H -3.296 3.316 1.624 1.00 . A A . 11 ILE HG23 1 1 8 2822 1 1 11 ILE N N -2.352 2.400 -1.214 1.00 . A A . 11 ILE N 1 1 8 2823 1 1 11 ILE O O 0.282 3.638 0.802 1.00 . A A . 11 ILE O 1 1 8 2824 1 1 12 GLN C C 1.050 0.473 1.277 1.00 . A A . 12 GLN C 1 1 8 2825 1 1 12 GLN CA C -0.162 1.061 1.950 1.00 . A A . 12 GLN CA 1 1 8 2826 1 1 12 GLN CB C -0.946 -0.097 2.607 1.00 . A A . 12 GLN CB 1 1 8 2827 1 1 12 GLN CD C -2.958 -0.813 3.945 1.00 . A A . 12 GLN CD 1 1 8 2828 1 1 12 GLN CG C -2.215 0.382 3.336 1.00 . A A . 12 GLN CG 1 1 8 2829 1 1 12 GLN H H -1.773 1.248 0.669 1.00 . A A . 12 GLN H 1 1 8 2830 1 1 12 GLN HA H 0.156 1.769 2.704 1.00 . A A . 12 GLN HA 1 1 8 2831 1 1 12 GLN HB2 H -1.236 -0.828 1.819 1.00 . A A . 12 GLN HB2 1 1 8 2832 1 1 12 GLN HB3 H -0.289 -0.619 3.338 1.00 . A A . 12 GLN HB3 1 1 8 2833 1 1 12 GLN HE21 H -3.413 -1.538 2.073 1.00 . A A . 12 GLN HE21 1 1 8 2834 1 1 12 GLN HE22 H -4.012 -2.490 3.390 1.00 . A A . 12 GLN HE22 1 1 8 2835 1 1 12 GLN HG2 H -1.935 1.086 4.148 1.00 . A A . 12 GLN HG2 1 1 8 2836 1 1 12 GLN HG3 H -2.891 0.910 2.632 1.00 . A A . 12 GLN HG3 1 1 8 2837 1 1 12 GLN N N -0.968 1.752 0.973 1.00 . A A . 12 GLN N 1 1 8 2838 1 1 12 GLN NE2 N -3.510 -1.694 3.055 1.00 . A A . 12 GLN NE2 1 1 8 2839 1 1 12 GLN O O 2.123 0.383 1.873 1.00 . A A . 12 GLN O 1 1 8 2840 1 1 12 GLN OE1 O -3.043 -0.944 5.171 1.00 . A A . 12 GLN OE1 1 1 8 2841 1 1 13 VAL C C 2.846 0.630 -1.303 1.00 . A A . 13 VAL C 1 1 8 2842 1 1 13 VAL CA C 1.927 -0.476 -0.850 1.00 . A A . 13 VAL CA 1 1 8 2843 1 1 13 VAL CB C 1.346 -1.216 -2.057 1.00 . A A . 13 VAL CB 1 1 8 2844 1 1 13 VAL CG1 C 2.456 -1.888 -2.899 1.00 . A A . 13 VAL CG1 1 1 8 2845 1 1 13 VAL CG2 C 0.339 -2.271 -1.551 1.00 . A A . 13 VAL CG2 1 1 8 2846 1 1 13 VAL H H 0.004 0.180 -0.460 1.00 . A A . 13 VAL H 1 1 8 2847 1 1 13 VAL HA H 2.501 -1.154 -0.245 1.00 . A A . 13 VAL HA 1 1 8 2848 1 1 13 VAL HB H 0.794 -0.501 -2.708 1.00 . A A . 13 VAL HB 1 1 8 2849 1 1 13 VAL HG11 H 3.083 -2.542 -2.258 1.00 . A A . 13 VAL HG11 1 1 8 2850 1 1 13 VAL HG12 H 3.107 -1.133 -3.387 1.00 . A A . 13 VAL HG12 1 1 8 2851 1 1 13 VAL HG13 H 1.999 -2.508 -3.699 1.00 . A A . 13 VAL HG13 1 1 8 2852 1 1 13 VAL HG21 H 0.836 -2.971 -0.847 1.00 . A A . 13 VAL HG21 1 1 8 2853 1 1 13 VAL HG22 H -0.057 -2.855 -2.409 1.00 . A A . 13 VAL HG22 1 1 8 2854 1 1 13 VAL HG23 H -0.520 -1.795 -1.037 1.00 . A A . 13 VAL HG23 1 1 8 2855 1 1 13 VAL N N 0.890 0.084 -0.013 1.00 . A A . 13 VAL N 1 1 8 2856 1 1 13 VAL O O 4.011 0.395 -1.611 1.00 . A A . 13 VAL O 1 1 8 2857 1 1 14 LYS C C 4.050 3.514 -0.713 1.00 . A A . 14 LYS C 1 1 8 2858 1 1 14 LYS CA C 3.044 3.058 -1.746 1.00 . A A . 14 LYS CA 1 1 8 2859 1 1 14 LYS CB C 2.077 4.221 -2.071 1.00 . A A . 14 LYS CB 1 1 8 2860 1 1 14 LYS CD C 2.722 4.654 -4.513 1.00 . A A . 14 LYS CD 1 1 8 2861 1 1 14 LYS CE C 3.329 5.614 -5.545 1.00 . A A . 14 LYS CE 1 1 8 2862 1 1 14 LYS CG C 2.631 5.232 -3.089 1.00 . A A . 14 LYS CG 1 1 8 2863 1 1 14 LYS H H 1.392 2.018 -1.028 1.00 . A A . 14 LYS H 1 1 8 2864 1 1 14 LYS HA H 3.582 2.779 -2.639 1.00 . A A . 14 LYS HA 1 1 8 2865 1 1 14 LYS HB2 H 1.145 3.795 -2.506 1.00 . A A . 14 LYS HB2 1 1 8 2866 1 1 14 LYS HB3 H 1.787 4.750 -1.137 1.00 . A A . 14 LYS HB3 1 1 8 2867 1 1 14 LYS HD2 H 3.317 3.713 -4.501 1.00 . A A . 14 LYS HD2 1 1 8 2868 1 1 14 LYS HD3 H 1.691 4.386 -4.837 1.00 . A A . 14 LYS HD3 1 1 8 2869 1 1 14 LYS HE2 H 3.257 5.176 -6.564 1.00 . A A . 14 LYS HE2 1 1 8 2870 1 1 14 LYS HE3 H 2.804 6.591 -5.527 1.00 . A A . 14 LYS HE3 1 1 8 2871 1 1 14 LYS HG2 H 1.955 6.116 -3.118 1.00 . A A . 14 LYS HG2 1 1 8 2872 1 1 14 LYS HG3 H 3.631 5.579 -2.754 1.00 . A A . 14 LYS HG3 1 1 8 2873 1 1 14 LYS HZ1 H 4.870 6.276 -4.323 1.00 . A A . 14 LYS HZ1 1 1 8 2874 1 1 14 LYS HZ2 H 5.147 6.515 -5.982 1.00 . A A . 14 LYS HZ2 1 1 8 2875 1 1 14 LYS HZ3 H 5.285 4.960 -5.314 1.00 . A A . 14 LYS HZ3 1 1 8 2876 1 1 14 LYS N N 2.335 1.879 -1.312 1.00 . A A . 14 LYS N 1 1 8 2877 1 1 14 LYS NZ N 4.764 5.859 -5.271 1.00 . A A . 14 LYS NZ 1 1 8 2878 1 1 14 LYS O O 5.040 4.158 -1.053 1.00 . A A . 14 LYS O 1 1 8 2879 1 1 15 VAL C C 5.940 2.503 1.537 1.00 . A A . 15 VAL C 1 1 8 2880 1 1 15 VAL CA C 4.754 3.430 1.667 1.00 . A A . 15 VAL CA 1 1 8 2881 1 1 15 VAL CB C 4.112 3.246 3.040 1.00 . A A . 15 VAL CB 1 1 8 2882 1 1 15 VAL CG1 C 5.113 3.587 4.168 1.00 . A A . 15 VAL CG1 1 1 8 2883 1 1 15 VAL CG2 C 2.865 4.150 3.132 1.00 . A A . 15 VAL CG2 1 1 8 2884 1 1 15 VAL H H 3.021 2.639 0.836 1.00 . A A . 15 VAL H 1 1 8 2885 1 1 15 VAL HA H 5.097 4.451 1.568 1.00 . A A . 15 VAL HA 1 1 8 2886 1 1 15 VAL HB H 3.781 2.190 3.168 1.00 . A A . 15 VAL HB 1 1 8 2887 1 1 15 VAL HG11 H 5.512 4.614 4.030 1.00 . A A . 15 VAL HG11 1 1 8 2888 1 1 15 VAL HG12 H 5.959 2.871 4.185 1.00 . A A . 15 VAL HG12 1 1 8 2889 1 1 15 VAL HG13 H 4.602 3.537 5.153 1.00 . A A . 15 VAL HG13 1 1 8 2890 1 1 15 VAL HG21 H 2.094 3.835 2.403 1.00 . A A . 15 VAL HG21 1 1 8 2891 1 1 15 VAL HG22 H 3.138 5.208 2.934 1.00 . A A . 15 VAL HG22 1 1 8 2892 1 1 15 VAL HG23 H 2.422 4.083 4.149 1.00 . A A . 15 VAL HG23 1 1 8 2893 1 1 15 VAL N N 3.836 3.155 0.579 1.00 . A A . 15 VAL N 1 1 8 2894 1 1 15 VAL O O 7.083 2.906 1.749 1.00 . A A . 15 VAL O 1 1 8 2895 1 1 16 PHE C C 7.442 0.492 -0.357 1.00 . A A . 16 PHE C 1 1 8 2896 1 1 16 PHE CA C 6.678 0.216 0.924 1.00 . A A . 16 PHE CA 1 1 8 2897 1 1 16 PHE CB C 6.020 -1.193 0.861 1.00 . A A . 16 PHE CB 1 1 8 2898 1 1 16 PHE CD1 C 7.906 -2.517 1.915 1.00 . A A . 16 PHE CD1 1 1 8 2899 1 1 16 PHE CD2 C 7.160 -3.129 -0.307 1.00 . A A . 16 PHE CD2 1 1 8 2900 1 1 16 PHE CE1 C 8.880 -3.523 1.865 1.00 . A A . 16 PHE CE1 1 1 8 2901 1 1 16 PHE CE2 C 8.135 -4.134 -0.359 1.00 . A A . 16 PHE CE2 1 1 8 2902 1 1 16 PHE CG C 7.040 -2.307 0.827 1.00 . A A . 16 PHE CG 1 1 8 2903 1 1 16 PHE CZ C 8.995 -4.330 0.727 1.00 . A A . 16 PHE CZ 1 1 8 2904 1 1 16 PHE H H 4.740 0.942 0.966 1.00 . A A . 16 PHE H 1 1 8 2905 1 1 16 PHE HA H 7.369 0.259 1.755 1.00 . A A . 16 PHE HA 1 1 8 2906 1 1 16 PHE HB2 H 5.399 -1.345 1.769 1.00 . A A . 16 PHE HB2 1 1 8 2907 1 1 16 PHE HB3 H 5.359 -1.273 -0.028 1.00 . A A . 16 PHE HB3 1 1 8 2908 1 1 16 PHE HD1 H 7.829 -1.895 2.794 1.00 . A A . 16 PHE HD1 1 1 8 2909 1 1 16 PHE HD2 H 6.507 -2.976 -1.152 1.00 . A A . 16 PHE HD2 1 1 8 2910 1 1 16 PHE HE1 H 9.543 -3.674 2.704 1.00 . A A . 16 PHE HE1 1 1 8 2911 1 1 16 PHE HE2 H 8.225 -4.753 -1.239 1.00 . A A . 16 PHE HE2 1 1 8 2912 1 1 16 PHE HZ H 9.748 -5.104 0.687 1.00 . A A . 16 PHE HZ 1 1 8 2913 1 1 16 PHE N N 5.677 1.234 1.140 1.00 . A A . 16 PHE N 1 1 8 2914 1 1 16 PHE O O 8.585 0.063 -0.498 1.00 . A A . 16 PHE O 1 1 8 2915 1 1 17 ASN C C 8.434 2.696 -2.367 1.00 . A A . 17 ASN C 1 1 8 2916 1 1 17 ASN CA C 7.405 1.610 -2.577 1.00 . A A . 17 ASN CA 1 1 8 2917 1 1 17 ASN CB C 6.318 2.110 -3.569 1.00 . A A . 17 ASN CB 1 1 8 2918 1 1 17 ASN CG C 6.844 2.187 -5.010 1.00 . A A . 17 ASN CG 1 1 8 2919 1 1 17 ASN H H 5.903 1.584 -1.154 1.00 . A A . 17 ASN H 1 1 8 2920 1 1 17 ASN HA H 7.890 0.731 -2.978 1.00 . A A . 17 ASN HA 1 1 8 2921 1 1 17 ASN HB2 H 5.462 1.401 -3.548 1.00 . A A . 17 ASN HB2 1 1 8 2922 1 1 17 ASN HB3 H 5.940 3.108 -3.265 1.00 . A A . 17 ASN HB3 1 1 8 2923 1 1 17 ASN HD21 H 6.799 0.136 -5.165 1.00 . A A . 17 ASN HD21 1 1 8 2924 1 1 17 ASN HD22 H 7.379 0.962 -6.575 1.00 . A A . 17 ASN HD22 1 1 8 2925 1 1 17 ASN N N 6.828 1.243 -1.305 1.00 . A A . 17 ASN N 1 1 8 2926 1 1 17 ASN ND2 N 7.030 0.987 -5.639 1.00 . A A . 17 ASN ND2 1 1 8 2927 1 1 17 ASN O O 9.436 2.752 -3.074 1.00 . A A . 17 ASN O 1 1 8 2928 1 1 17 ASN OD1 O 7.071 3.280 -5.541 1.00 . A A . 17 ASN OD1 1 1 8 2929 1 1 18 HIS C C 10.223 4.109 -0.113 1.00 . A A . 18 HIS C 1 1 8 2930 1 1 18 HIS CA C 9.099 4.632 -0.975 1.00 . A A . 18 HIS CA 1 1 8 2931 1 1 18 HIS CB C 8.371 5.728 -0.164 1.00 . A A . 18 HIS CB 1 1 8 2932 1 1 18 HIS CD2 C 7.031 6.492 -2.263 1.00 . A A . 18 HIS CD2 1 1 8 2933 1 1 18 HIS CE1 C 5.447 7.575 -1.316 1.00 . A A . 18 HIS CE1 1 1 8 2934 1 1 18 HIS CG C 7.251 6.387 -0.922 1.00 . A A . 18 HIS CG 1 1 8 2935 1 1 18 HIS H H 7.379 3.492 -0.798 1.00 . A A . 18 HIS H 1 1 8 2936 1 1 18 HIS HA H 9.523 5.068 -1.870 1.00 . A A . 18 HIS HA 1 1 8 2937 1 1 18 HIS HB2 H 7.945 5.278 0.759 1.00 . A A . 18 HIS HB2 1 1 8 2938 1 1 18 HIS HB3 H 9.086 6.525 0.135 1.00 . A A . 18 HIS HB3 1 1 8 2939 1 1 18 HIS HD1 H 6.106 7.216 0.666 1.00 . A A . 18 HIS HD1 1 1 8 2940 1 1 18 HIS HD2 H 7.602 6.098 -3.094 1.00 . A A . 18 HIS HD2 1 1 8 2941 1 1 18 HIS HE1 H 4.557 8.173 -1.127 1.00 . A A . 18 HIS HE1 1 1 8 2942 1 1 18 HIS N N 8.204 3.565 -1.355 1.00 . A A . 18 HIS N 1 1 8 2943 1 1 18 HIS ND1 N 6.230 7.091 -0.320 1.00 . A A . 18 HIS ND1 1 1 8 2944 1 1 18 HIS NE2 N 5.893 7.239 -2.511 1.00 . A A . 18 HIS NE2 1 1 8 2945 1 1 18 HIS O O 11.191 4.824 0.136 1.00 . A A . 18 HIS O 1 1 8 2946 1 1 19 GLY C C 12.103 1.469 0.322 1.00 . A A . 19 GLY C 1 1 8 2947 1 1 19 GLY CA C 11.111 2.199 1.177 1.00 . A A . 19 GLY CA 1 1 8 2948 1 1 19 GLY H H 9.324 2.280 0.132 1.00 . A A . 19 GLY H 1 1 8 2949 1 1 19 GLY HA2 H 11.629 2.946 1.763 1.00 . A A . 19 GLY HA2 1 1 8 2950 1 1 19 GLY HA3 H 10.587 1.473 1.781 1.00 . A A . 19 GLY HA3 1 1 8 2951 1 1 19 GLY N N 10.118 2.841 0.352 1.00 . A A . 19 GLY N 1 1 8 2952 1 1 19 GLY O O 13.308 1.545 0.559 1.00 . A A . 19 GLY O 1 1 8 2953 1 1 20 GLU C C 13.081 0.607 -2.612 1.00 . A A . 20 GLU C 1 1 8 2954 1 1 20 GLU CA C 12.410 -0.163 -1.505 1.00 . A A . 20 GLU CA 1 1 8 2955 1 1 20 GLU CB C 11.591 -1.349 -2.086 1.00 . A A . 20 GLU CB 1 1 8 2956 1 1 20 GLU CD C 9.603 -2.169 -3.405 1.00 . A A . 20 GLU CD 1 1 8 2957 1 1 20 GLU CG C 10.502 -0.969 -3.110 1.00 . A A . 20 GLU CG 1 1 8 2958 1 1 20 GLU H H 10.626 0.693 -0.877 1.00 . A A . 20 GLU H 1 1 8 2959 1 1 20 GLU HA H 13.181 -0.584 -0.875 1.00 . A A . 20 GLU HA 1 1 8 2960 1 1 20 GLU HB2 H 12.290 -2.074 -2.559 1.00 . A A . 20 GLU HB2 1 1 8 2961 1 1 20 GLU HB3 H 11.106 -1.865 -1.226 1.00 . A A . 20 GLU HB3 1 1 8 2962 1 1 20 GLU HG2 H 9.890 -0.135 -2.709 1.00 . A A . 20 GLU HG2 1 1 8 2963 1 1 20 GLU HG3 H 10.973 -0.630 -4.057 1.00 . A A . 20 GLU HG3 1 1 8 2964 1 1 20 GLU N N 11.605 0.717 -0.689 1.00 . A A . 20 GLU N 1 1 8 2965 1 1 20 GLU O O 14.220 0.309 -2.969 1.00 . A A . 20 GLU O 1 1 8 2966 1 1 20 GLU OE1 O 10.138 -3.217 -3.854 1.00 . A A . 20 GLU OE1 1 1 8 2967 1 1 20 GLU OE2 O 8.367 -2.048 -3.189 1.00 . A A . 20 GLU OE2 1 1 8 2968 1 1 21 HIS C C 12.871 3.861 -3.647 1.00 . A A . 21 HIS C 1 1 8 2969 1 1 21 HIS CA C 12.845 2.475 -4.220 1.00 . A A . 21 HIS CA 1 1 8 2970 1 1 21 HIS CB C 11.938 2.407 -5.473 1.00 . A A . 21 HIS CB 1 1 8 2971 1 1 21 HIS CD2 C 13.437 2.959 -7.518 1.00 . A A . 21 HIS CD2 1 1 8 2972 1 1 21 HIS CE1 C 12.627 4.854 -8.094 1.00 . A A . 21 HIS CE1 1 1 8 2973 1 1 21 HIS CG C 12.423 3.214 -6.648 1.00 . A A . 21 HIS CG 1 1 8 2974 1 1 21 HIS H H 11.473 1.858 -2.858 1.00 . A A . 21 HIS H 1 1 8 2975 1 1 21 HIS HA H 13.842 2.185 -4.472 1.00 . A A . 21 HIS HA 1 1 8 2976 1 1 21 HIS HB2 H 11.890 1.345 -5.804 1.00 . A A . 21 HIS HB2 1 1 8 2977 1 1 21 HIS HB3 H 10.903 2.718 -5.212 1.00 . A A . 21 HIS HB3 1 1 8 2978 1 1 21 HIS HD1 H 11.145 4.915 -6.579 1.00 . A A . 21 HIS HD1 1 1 8 2979 1 1 21 HIS HD2 H 14.103 2.108 -7.569 1.00 . A A . 21 HIS HD2 1 1 8 2980 1 1 21 HIS HE1 H 12.436 5.799 -8.599 1.00 . A A . 21 HIS HE1 1 1 8 2981 1 1 21 HIS N N 12.383 1.625 -3.166 1.00 . A A . 21 HIS N 1 1 8 2982 1 1 21 HIS ND1 N 11.904 4.435 -7.025 1.00 . A A . 21 HIS ND1 1 1 8 2983 1 1 21 HIS NE2 N 13.569 3.992 -8.429 1.00 . A A . 21 HIS NE2 1 1 8 2984 1 1 21 HIS O O 12.225 4.123 -2.635 1.00 . A A . 21 HIS O 1 1 8 2985 1 1 22 ILE C C 14.271 6.356 -2.487 1.00 . A A . 22 ILE C 1 1 8 2986 1 1 22 ILE CA C 13.887 6.162 -3.946 1.00 . A A . 22 ILE CA 1 1 8 2987 1 1 22 ILE CB C 12.838 7.128 -4.519 1.00 . A A . 22 ILE CB 1 1 8 2988 1 1 22 ILE CD1 C 12.516 9.517 -5.450 1.00 . A A . 22 ILE CD1 1 1 8 2989 1 1 22 ILE CG1 C 13.376 8.583 -4.591 1.00 . A A . 22 ILE CG1 1 1 8 2990 1 1 22 ILE CG2 C 11.464 7.002 -3.818 1.00 . A A . 22 ILE CG2 1 1 8 2991 1 1 22 ILE H H 14.158 4.478 -5.100 1.00 . A A . 22 ILE H 1 1 8 2992 1 1 22 ILE HA H 14.788 6.389 -4.496 1.00 . A A . 22 ILE HA 1 1 8 2993 1 1 22 ILE HB H 12.680 6.816 -5.580 1.00 . A A . 22 ILE HB 1 1 8 2994 1 1 22 ILE HD11 H 11.504 9.638 -5.011 1.00 . A A . 22 ILE HD11 1 1 8 2995 1 1 22 ILE HD12 H 12.413 9.111 -6.479 1.00 . A A . 22 ILE HD12 1 1 8 2996 1 1 22 ILE HD13 H 12.990 10.521 -5.514 1.00 . A A . 22 ILE HD13 1 1 8 2997 1 1 22 ILE HG12 H 13.453 9.006 -3.568 1.00 . A A . 22 ILE HG12 1 1 8 2998 1 1 22 ILE HG13 H 14.400 8.557 -5.028 1.00 . A A . 22 ILE HG13 1 1 8 2999 1 1 22 ILE HG21 H 10.726 7.682 -4.290 1.00 . A A . 22 ILE HG21 1 1 8 3000 1 1 22 ILE HG22 H 11.536 7.262 -2.742 1.00 . A A . 22 ILE HG22 1 1 8 3001 1 1 22 ILE HG23 H 11.070 5.970 -3.911 1.00 . A A . 22 ILE HG23 1 1 8 3002 1 1 22 ILE N N 13.657 4.767 -4.288 1.00 . A A . 22 ILE N 1 1 8 3003 1 1 22 ILE O O 13.863 7.297 -1.807 1.00 . A A . 22 ILE O 1 1 8 3004 1 1 23 HIS C C 16.572 4.277 -0.649 1.00 . A A . 23 HIS C 1 1 8 3005 1 1 23 HIS CA C 15.542 5.362 -0.624 1.00 . A A . 23 HIS CA 1 1 8 3006 1 1 23 HIS CB C 14.418 4.980 0.375 1.00 . A A . 23 HIS CB 1 1 8 3007 1 1 23 HIS CD2 C 15.990 5.147 2.450 1.00 . A A . 23 HIS CD2 1 1 8 3008 1 1 23 HIS CE1 C 14.882 3.969 3.850 1.00 . A A . 23 HIS CE1 1 1 8 3009 1 1 23 HIS CG C 14.881 4.717 1.786 1.00 . A A . 23 HIS CG 1 1 8 3010 1 1 23 HIS H H 15.436 4.677 -2.568 1.00 . A A . 23 HIS H 1 1 8 3011 1 1 23 HIS HA H 16.012 6.299 -0.361 1.00 . A A . 23 HIS HA 1 1 8 3012 1 1 23 HIS HB2 H 13.681 5.811 0.415 1.00 . A A . 23 HIS HB2 1 1 8 3013 1 1 23 HIS HB3 H 13.884 4.079 -0.001 1.00 . A A . 23 HIS HB3 1 1 8 3014 1 1 23 HIS HD1 H 13.296 3.506 2.521 1.00 . A A . 23 HIS HD1 1 1 8 3015 1 1 23 HIS HD2 H 16.804 5.773 2.108 1.00 . A A . 23 HIS HD2 1 1 8 3016 1 1 23 HIS HE1 H 14.553 3.445 4.745 1.00 . A A . 23 HIS HE1 1 1 8 3017 1 1 23 HIS N N 15.103 5.419 -1.990 1.00 . A A . 23 HIS N 1 1 8 3018 1 1 23 HIS ND1 N 14.170 3.964 2.695 1.00 . A A . 23 HIS ND1 1 1 8 3019 1 1 23 HIS NE2 N 15.993 4.672 3.750 1.00 . A A . 23 HIS NE2 1 1 8 3020 1 1 23 HIS O O 17.749 4.528 -0.393 1.00 . A A . 23 HIS O 1 1 8 3021 1 1 24 HIS C C 17.544 1.428 0.221 1.00 . A A . 24 HIS C 1 1 8 3022 1 1 24 HIS CA C 16.929 1.859 -1.130 1.00 . A A . 24 HIS CA 1 1 8 3023 1 1 24 HIS CB C 18.018 1.981 -2.224 1.00 . A A . 24 HIS CB 1 1 8 3024 1 1 24 HIS CD2 C 17.609 3.784 -4.043 1.00 . A A . 24 HIS CD2 1 1 8 3025 1 1 24 HIS CE1 C 16.315 2.714 -5.367 1.00 . A A . 24 HIS CE1 1 1 8 3026 1 1 24 HIS CG C 17.472 2.538 -3.510 1.00 . A A . 24 HIS CG 1 1 8 3027 1 1 24 HIS H H 15.149 2.904 -1.169 1.00 . A A . 24 HIS H 1 1 8 3028 1 1 24 HIS HA H 16.246 1.083 -1.440 1.00 . A A . 24 HIS HA 1 1 8 3029 1 1 24 HIS HB2 H 18.820 2.667 -1.879 1.00 . A A . 24 HIS HB2 1 1 8 3030 1 1 24 HIS HB3 H 18.474 0.987 -2.416 1.00 . A A . 24 HIS HB3 1 1 8 3031 1 1 24 HIS HD1 H 16.316 0.914 -4.249 1.00 . A A . 24 HIS HD1 1 1 8 3032 1 1 24 HIS HD2 H 18.168 4.633 -3.673 1.00 . A A . 24 HIS HD2 1 1 8 3033 1 1 24 HIS HE1 H 15.655 2.441 -6.188 1.00 . A A . 24 HIS HE1 1 1 8 3034 1 1 24 HIS N N 16.117 3.044 -0.982 1.00 . A A . 24 HIS N 1 1 8 3035 1 1 24 HIS ND1 N 16.636 1.856 -4.367 1.00 . A A . 24 HIS ND1 1 1 8 3036 1 1 24 HIS NE2 N 16.880 3.896 -5.214 1.00 . A A . 24 HIS NE2 1 1 8 3037 1 1 24 HIS O O 18.766 1.299 0.351 1.00 . A A . 24 HIS O 1 1 8 3038 1 1 25 NH2 HN1 H 16.986 0.920 2.136 1.00 . A A . 25 NH2 HN1 1 1 8 3039 1 1 25 NH2 HN2 H 15.674 1.326 1.077 1.00 . A A . 25 NH2 HN2 1 1 8 3040 1 1 25 NH2 N N 16.654 1.201 1.235 1.00 . A A . 25 NH2 N 1 1 9 3041 1 1 1 ACE C C -6.681 3.210 11.905 1.00 . A A . 1 ACE C 1 1 9 3042 1 1 1 ACE CH3 C -5.787 4.314 12.367 1.00 . A A . 1 ACE CH3 1 1 9 3043 1 1 1 ACE H1 H -6.080 4.645 13.388 1.00 . A A . 1 ACE H1 1 1 9 3044 1 1 1 ACE H2 H -4.731 3.969 12.397 1.00 . A A . 1 ACE H2 1 1 9 3045 1 1 1 ACE H3 H -5.858 5.184 11.678 1.00 . A A . 1 ACE H3 1 1 9 3046 1 1 1 ACE O O -6.244 2.074 11.736 1.00 . A A . 1 ACE O 1 1 9 3047 1 1 2 PHE C C -9.181 2.737 9.802 1.00 . A A . 2 PHE C 1 1 9 3048 1 1 2 PHE CA C -8.991 2.597 11.287 1.00 . A A . 2 PHE CA 1 1 9 3049 1 1 2 PHE CB C -10.353 2.843 11.987 1.00 . A A . 2 PHE CB 1 1 9 3050 1 1 2 PHE CD1 C -9.935 1.490 14.081 1.00 . A A . 2 PHE CD1 1 1 9 3051 1 1 2 PHE CD2 C -10.285 3.877 14.295 1.00 . A A . 2 PHE CD2 1 1 9 3052 1 1 2 PHE CE1 C -9.768 1.390 15.468 1.00 . A A . 2 PHE CE1 1 1 9 3053 1 1 2 PHE CE2 C -10.119 3.779 15.682 1.00 . A A . 2 PHE CE2 1 1 9 3054 1 1 2 PHE CG C -10.192 2.736 13.480 1.00 . A A . 2 PHE CG 1 1 9 3055 1 1 2 PHE CZ C -9.861 2.534 16.269 1.00 . A A . 2 PHE CZ 1 1 9 3056 1 1 2 PHE H H -8.297 4.475 11.828 1.00 . A A . 2 PHE H 1 1 9 3057 1 1 2 PHE HA H -8.657 1.589 11.493 1.00 . A A . 2 PHE HA 1 1 9 3058 1 1 2 PHE HB2 H -10.737 3.858 11.741 1.00 . A A . 2 PHE HB2 1 1 9 3059 1 1 2 PHE HB3 H -11.106 2.089 11.677 1.00 . A A . 2 PHE HB3 1 1 9 3060 1 1 2 PHE HD1 H -9.861 0.602 13.470 1.00 . A A . 2 PHE HD1 1 1 9 3061 1 1 2 PHE HD2 H -10.480 4.841 13.849 1.00 . A A . 2 PHE HD2 1 1 9 3062 1 1 2 PHE HE1 H -9.567 0.430 15.921 1.00 . A A . 2 PHE HE1 1 1 9 3063 1 1 2 PHE HE2 H -10.189 4.663 16.298 1.00 . A A . 2 PHE HE2 1 1 9 3064 1 1 2 PHE HZ H -9.729 2.458 17.338 1.00 . A A . 2 PHE HZ 1 1 9 3065 1 1 2 PHE N N -7.976 3.541 11.694 1.00 . A A . 2 PHE N 1 1 9 3066 1 1 2 PHE O O -8.552 3.584 9.167 1.00 . A A . 2 PHE O 1 1 9 3067 1 1 3 GLU C C -9.333 1.093 7.047 1.00 . A A . 3 GLU C 1 1 9 3068 1 1 3 GLU CA C -10.420 1.785 7.831 1.00 . A A . 3 GLU CA 1 1 9 3069 1 1 3 GLU CB C -10.848 3.095 7.106 1.00 . A A . 3 GLU CB 1 1 9 3070 1 1 3 GLU CD C -12.202 4.253 8.932 1.00 . A A . 3 GLU CD 1 1 9 3071 1 1 3 GLU CG C -12.224 3.656 7.526 1.00 . A A . 3 GLU CG 1 1 9 3072 1 1 3 GLU H H -10.510 1.197 9.817 1.00 . A A . 3 GLU H 1 1 9 3073 1 1 3 GLU HA H -11.292 1.146 7.795 1.00 . A A . 3 GLU HA 1 1 9 3074 1 1 3 GLU HB2 H -10.067 3.874 7.214 1.00 . A A . 3 GLU HB2 1 1 9 3075 1 1 3 GLU HB3 H -10.937 2.875 6.017 1.00 . A A . 3 GLU HB3 1 1 9 3076 1 1 3 GLU HG2 H -12.520 4.455 6.811 1.00 . A A . 3 GLU HG2 1 1 9 3077 1 1 3 GLU HG3 H -12.981 2.845 7.470 1.00 . A A . 3 GLU HG3 1 1 9 3078 1 1 3 GLU N N -10.060 1.871 9.235 1.00 . A A . 3 GLU N 1 1 9 3079 1 1 3 GLU O O -8.151 1.425 7.150 1.00 . A A . 3 GLU O 1 1 9 3080 1 1 3 GLU OE1 O -11.452 5.244 9.145 1.00 . A A . 3 GLU OE1 1 1 9 3081 1 1 3 GLU OE2 O -12.941 3.733 9.810 1.00 . A A . 3 GLU OE2 1 1 9 3082 1 1 4 ASP C C -9.733 -0.734 4.098 1.00 . A A . 4 ASP C 1 1 9 3083 1 1 4 ASP CA C -8.870 -0.589 5.314 1.00 . A A . 4 ASP CA 1 1 9 3084 1 1 4 ASP CB C -8.365 -1.964 5.830 1.00 . A A . 4 ASP CB 1 1 9 3085 1 1 4 ASP CG C -7.351 -2.582 4.861 1.00 . A A . 4 ASP CG 1 1 9 3086 1 1 4 ASP H H -10.697 -0.159 6.150 1.00 . A A . 4 ASP H 1 1 9 3087 1 1 4 ASP HA H -8.035 0.051 5.068 1.00 . A A . 4 ASP HA 1 1 9 3088 1 1 4 ASP HB2 H -7.859 -1.814 6.808 1.00 . A A . 4 ASP HB2 1 1 9 3089 1 1 4 ASP HB3 H -9.215 -2.660 5.990 1.00 . A A . 4 ASP HB3 1 1 9 3090 1 1 4 ASP N N -9.738 0.098 6.227 1.00 . A A . 4 ASP N 1 1 9 3091 1 1 4 ASP O O -10.418 -1.737 3.900 1.00 . A A . 4 ASP O 1 1 9 3092 1 1 4 ASP OD1 O -6.291 -1.942 4.626 1.00 . A A . 4 ASP OD1 1 1 9 3093 1 1 4 ASP OD2 O -7.626 -3.698 4.346 1.00 . A A . 4 ASP OD2 1 1 9 3094 1 1 5 LEU C C -9.710 -0.277 0.958 1.00 . A A . 5 LEU C 1 1 9 3095 1 1 5 LEU CA C -10.486 0.428 2.050 1.00 . A A . 5 LEU CA 1 1 9 3096 1 1 5 LEU CB C -10.688 1.913 1.645 1.00 . A A . 5 LEU CB 1 1 9 3097 1 1 5 LEU CD1 C -11.319 4.284 2.302 1.00 . A A . 5 LEU CD1 1 1 9 3098 1 1 5 LEU CD2 C -12.702 2.347 3.195 1.00 . A A . 5 LEU CD2 1 1 9 3099 1 1 5 LEU CG C -11.300 2.810 2.751 1.00 . A A . 5 LEU CG 1 1 9 3100 1 1 5 LEU H H -9.171 1.126 3.491 1.00 . A A . 5 LEU H 1 1 9 3101 1 1 5 LEU HA H -11.439 -0.055 2.209 1.00 . A A . 5 LEU HA 1 1 9 3102 1 1 5 LEU HB2 H -9.701 2.351 1.378 1.00 . A A . 5 LEU HB2 1 1 9 3103 1 1 5 LEU HB3 H -11.340 1.974 0.748 1.00 . A A . 5 LEU HB3 1 1 9 3104 1 1 5 LEU HD11 H -10.295 4.617 2.032 1.00 . A A . 5 LEU HD11 1 1 9 3105 1 1 5 LEU HD12 H -11.696 4.931 3.122 1.00 . A A . 5 LEU HD12 1 1 9 3106 1 1 5 LEU HD13 H -11.979 4.408 1.419 1.00 . A A . 5 LEU HD13 1 1 9 3107 1 1 5 LEU HD21 H -12.665 1.320 3.612 1.00 . A A . 5 LEU HD21 1 1 9 3108 1 1 5 LEU HD22 H -13.402 2.361 2.334 1.00 . A A . 5 LEU HD22 1 1 9 3109 1 1 5 LEU HD23 H -13.095 3.026 3.982 1.00 . A A . 5 LEU HD23 1 1 9 3110 1 1 5 LEU HG H -10.634 2.756 3.643 1.00 . A A . 5 LEU HG 1 1 9 3111 1 1 5 LEU N N -9.719 0.326 3.264 1.00 . A A . 5 LEU N 1 1 9 3112 1 1 5 LEU O O -8.508 -0.482 1.131 1.00 . A A . 5 LEU O 1 1 9 3113 1 1 6 PRO C C -8.911 -0.252 -2.143 1.00 . A A . 6 PRO C 1 1 9 3114 1 1 6 PRO CA C -9.574 -1.293 -1.274 1.00 . A A . 6 PRO CA 1 1 9 3115 1 1 6 PRO CB C -10.664 -2.047 -2.051 1.00 . A A . 6 PRO CB 1 1 9 3116 1 1 6 PRO CD C -11.751 -0.753 -0.360 1.00 . A A . 6 PRO CD 1 1 9 3117 1 1 6 PRO CG C -11.937 -1.235 -1.799 1.00 . A A . 6 PRO CG 1 1 9 3118 1 1 6 PRO HA H -8.801 -1.932 -0.882 1.00 . A A . 6 PRO HA 1 1 9 3119 1 1 6 PRO HB2 H -10.443 -2.169 -3.130 1.00 . A A . 6 PRO HB2 1 1 9 3120 1 1 6 PRO HB3 H -10.791 -3.056 -1.596 1.00 . A A . 6 PRO HB3 1 1 9 3121 1 1 6 PRO HD2 H -12.232 0.236 -0.208 1.00 . A A . 6 PRO HD2 1 1 9 3122 1 1 6 PRO HD3 H -12.159 -1.499 0.356 1.00 . A A . 6 PRO HD3 1 1 9 3123 1 1 6 PRO HG2 H -11.958 -0.360 -2.485 1.00 . A A . 6 PRO HG2 1 1 9 3124 1 1 6 PRO HG3 H -12.857 -1.836 -1.932 1.00 . A A . 6 PRO HG3 1 1 9 3125 1 1 6 PRO N N -10.300 -0.673 -0.172 1.00 . A A . 6 PRO N 1 1 9 3126 1 1 6 PRO O O -8.397 -0.599 -3.204 1.00 . A A . 6 PRO O 1 1 9 3127 1 1 7 ASN C C -7.054 2.451 -1.430 1.00 . A A . 7 ASN C 1 1 9 3128 1 1 7 ASN CA C -8.254 2.143 -2.281 1.00 . A A . 7 ASN CA 1 1 9 3129 1 1 7 ASN CB C -9.200 3.372 -2.335 1.00 . A A . 7 ASN CB 1 1 9 3130 1 1 7 ASN CG C -8.589 4.501 -3.180 1.00 . A A . 7 ASN CG 1 1 9 3131 1 1 7 ASN H H -9.329 1.178 -0.797 1.00 . A A . 7 ASN H 1 1 9 3132 1 1 7 ASN HA H -7.920 1.862 -3.260 1.00 . A A . 7 ASN HA 1 1 9 3133 1 1 7 ASN HB2 H -10.152 3.063 -2.818 1.00 . A A . 7 ASN HB2 1 1 9 3134 1 1 7 ASN HB3 H -9.438 3.724 -1.309 1.00 . A A . 7 ASN HB3 1 1 9 3135 1 1 7 ASN HD21 H -8.383 5.701 -1.521 1.00 . A A . 7 ASN HD21 1 1 9 3136 1 1 7 ASN HD22 H -7.841 6.409 -3.007 1.00 . A A . 7 ASN HD22 1 1 9 3137 1 1 7 ASN N N -8.904 1.010 -1.678 1.00 . A A . 7 ASN N 1 1 9 3138 1 1 7 ASN ND2 N -8.241 5.640 -2.509 1.00 . A A . 7 ASN ND2 1 1 9 3139 1 1 7 ASN O O -6.020 2.906 -1.916 1.00 . A A . 7 ASN O 1 1 9 3140 1 1 7 ASN OD1 O -8.428 4.352 -4.397 1.00 . A A . 7 ASN OD1 1 1 9 3141 1 1 8 PHE C C -5.186 1.218 0.853 1.00 . A A . 8 PHE C 1 1 9 3142 1 1 8 PHE CA C -6.186 2.352 0.903 1.00 . A A . 8 PHE CA 1 1 9 3143 1 1 8 PHE CB C -6.842 2.429 2.312 1.00 . A A . 8 PHE CB 1 1 9 3144 1 1 8 PHE CD1 C -5.216 4.091 3.324 1.00 . A A . 8 PHE CD1 1 1 9 3145 1 1 8 PHE CD2 C -5.619 2.003 4.484 1.00 . A A . 8 PHE CD2 1 1 9 3146 1 1 8 PHE CE1 C -4.300 4.465 4.315 1.00 . A A . 8 PHE CE1 1 1 9 3147 1 1 8 PHE CE2 C -4.710 2.378 5.480 1.00 . A A . 8 PHE CE2 1 1 9 3148 1 1 8 PHE CG C -5.879 2.853 3.395 1.00 . A A . 8 PHE CG 1 1 9 3149 1 1 8 PHE CZ C -4.048 3.609 5.394 1.00 . A A . 8 PHE CZ 1 1 9 3150 1 1 8 PHE H H -8.050 1.768 0.188 1.00 . A A . 8 PHE H 1 1 9 3151 1 1 8 PHE HA H -5.670 3.276 0.685 1.00 . A A . 8 PHE HA 1 1 9 3152 1 1 8 PHE HB2 H -7.658 3.183 2.292 1.00 . A A . 8 PHE HB2 1 1 9 3153 1 1 8 PHE HB3 H -7.284 1.446 2.580 1.00 . A A . 8 PHE HB3 1 1 9 3154 1 1 8 PHE HD1 H -5.402 4.758 2.494 1.00 . A A . 8 PHE HD1 1 1 9 3155 1 1 8 PHE HD2 H -6.114 1.046 4.549 1.00 . A A . 8 PHE HD2 1 1 9 3156 1 1 8 PHE HE1 H -3.788 5.413 4.244 1.00 . A A . 8 PHE HE1 1 1 9 3157 1 1 8 PHE HE2 H -4.517 1.716 6.310 1.00 . A A . 8 PHE HE2 1 1 9 3158 1 1 8 PHE HZ H -3.343 3.897 6.159 1.00 . A A . 8 PHE HZ 1 1 9 3159 1 1 8 PHE N N -7.190 2.166 -0.117 1.00 . A A . 8 PHE N 1 1 9 3160 1 1 8 PHE O O -4.126 1.299 1.466 1.00 . A A . 8 PHE O 1 1 9 3161 1 1 9 GLY C C -3.515 -0.604 -1.119 1.00 . A A . 9 GLY C 1 1 9 3162 1 1 9 GLY CA C -4.593 -0.965 -0.133 1.00 . A A . 9 GLY CA 1 1 9 3163 1 1 9 GLY H H -6.356 0.093 -0.405 1.00 . A A . 9 GLY H 1 1 9 3164 1 1 9 GLY HA2 H -4.133 -1.229 0.810 1.00 . A A . 9 GLY HA2 1 1 9 3165 1 1 9 GLY HA3 H -5.185 -1.763 -0.558 1.00 . A A . 9 GLY HA3 1 1 9 3166 1 1 9 GLY N N -5.488 0.145 0.083 1.00 . A A . 9 GLY N 1 1 9 3167 1 1 9 GLY O O -2.455 -1.223 -1.133 1.00 . A A . 9 GLY O 1 1 9 3168 1 1 10 HIS C C -1.924 1.945 -2.273 1.00 . A A . 10 HIS C 1 1 9 3169 1 1 10 HIS CA C -2.821 0.931 -2.933 1.00 . A A . 10 HIS CA 1 1 9 3170 1 1 10 HIS CB C -3.512 1.639 -4.123 1.00 . A A . 10 HIS CB 1 1 9 3171 1 1 10 HIS CD2 C -4.202 0.061 -6.062 1.00 . A A . 10 HIS CD2 1 1 9 3172 1 1 10 HIS CE1 C -6.199 -0.426 -5.474 1.00 . A A . 10 HIS CE1 1 1 9 3173 1 1 10 HIS CG C -4.427 0.737 -4.901 1.00 . A A . 10 HIS CG 1 1 9 3174 1 1 10 HIS H H -4.637 0.908 -1.935 1.00 . A A . 10 HIS H 1 1 9 3175 1 1 10 HIS HA H -2.219 0.113 -3.302 1.00 . A A . 10 HIS HA 1 1 9 3176 1 1 10 HIS HB2 H -4.098 2.511 -3.764 1.00 . A A . 10 HIS HB2 1 1 9 3177 1 1 10 HIS HB3 H -2.737 2.013 -4.829 1.00 . A A . 10 HIS HB3 1 1 9 3178 1 1 10 HIS HD1 H -6.192 0.752 -3.713 1.00 . A A . 10 HIS HD1 1 1 9 3179 1 1 10 HIS HD2 H -3.314 0.034 -6.680 1.00 . A A . 10 HIS HD2 1 1 9 3180 1 1 10 HIS HE1 H -7.205 -0.841 -5.432 1.00 . A A . 10 HIS HE1 1 1 9 3181 1 1 10 HIS N N -3.766 0.426 -1.964 1.00 . A A . 10 HIS N 1 1 9 3182 1 1 10 HIS ND1 N -5.716 0.418 -4.528 1.00 . A A . 10 HIS ND1 1 1 9 3183 1 1 10 HIS NE2 N -5.318 -0.671 -6.423 1.00 . A A . 10 HIS NE2 1 1 9 3184 1 1 10 HIS O O -0.780 2.128 -2.683 1.00 . A A . 10 HIS O 1 1 9 3185 1 1 11 ILE C C -0.846 3.047 0.514 1.00 . A A . 11 ILE C 1 1 9 3186 1 1 11 ILE CA C -1.779 3.683 -0.495 1.00 . A A . 11 ILE CA 1 1 9 3187 1 1 11 ILE CB C -2.795 4.630 0.156 1.00 . A A . 11 ILE CB 1 1 9 3188 1 1 11 ILE CD1 C -4.742 6.246 -0.445 1.00 . A A . 11 ILE CD1 1 1 9 3189 1 1 11 ILE CG1 C -3.576 5.388 -0.955 1.00 . A A . 11 ILE CG1 1 1 9 3190 1 1 11 ILE CG2 C -2.107 5.619 1.129 1.00 . A A . 11 ILE CG2 1 1 9 3191 1 1 11 ILE H H -3.348 2.380 -0.875 1.00 . A A . 11 ILE H 1 1 9 3192 1 1 11 ILE HA H -1.181 4.250 -1.192 1.00 . A A . 11 ILE HA 1 1 9 3193 1 1 11 ILE HB H -3.522 4.025 0.741 1.00 . A A . 11 ILE HB 1 1 9 3194 1 1 11 ILE HD11 H -5.293 6.690 -1.303 1.00 . A A . 11 ILE HD11 1 1 9 3195 1 1 11 ILE HD12 H -4.379 7.077 0.195 1.00 . A A . 11 ILE HD12 1 1 9 3196 1 1 11 ILE HD13 H -5.454 5.632 0.143 1.00 . A A . 11 ILE HD13 1 1 9 3197 1 1 11 ILE HG12 H -2.861 6.041 -1.502 1.00 . A A . 11 ILE HG12 1 1 9 3198 1 1 11 ILE HG13 H -3.994 4.664 -1.688 1.00 . A A . 11 ILE HG13 1 1 9 3199 1 1 11 ILE HG21 H -2.845 6.325 1.562 1.00 . A A . 11 ILE HG21 1 1 9 3200 1 1 11 ILE HG22 H -1.327 6.204 0.596 1.00 . A A . 11 ILE HG22 1 1 9 3201 1 1 11 ILE HG23 H -1.637 5.083 1.979 1.00 . A A . 11 ILE HG23 1 1 9 3202 1 1 11 ILE N N -2.443 2.620 -1.219 1.00 . A A . 11 ILE N 1 1 9 3203 1 1 11 ILE O O 0.183 3.619 0.868 1.00 . A A . 11 ILE O 1 1 9 3204 1 1 12 GLN C C 0.886 0.550 1.238 1.00 . A A . 12 GLN C 1 1 9 3205 1 1 12 GLN CA C -0.383 1.037 1.894 1.00 . A A . 12 GLN CA 1 1 9 3206 1 1 12 GLN CB C -1.200 -0.180 2.391 1.00 . A A . 12 GLN CB 1 1 9 3207 1 1 12 GLN CD C -1.456 -2.128 3.959 1.00 . A A . 12 GLN CD 1 1 9 3208 1 1 12 GLN CG C -0.498 -1.039 3.459 1.00 . A A . 12 GLN CG 1 1 9 3209 1 1 12 GLN H H -2.004 1.365 0.654 1.00 . A A . 12 GLN H 1 1 9 3210 1 1 12 GLN HA H -0.128 1.669 2.731 1.00 . A A . 12 GLN HA 1 1 9 3211 1 1 12 GLN HB2 H -2.145 0.211 2.832 1.00 . A A . 12 GLN HB2 1 1 9 3212 1 1 12 GLN HB3 H -1.476 -0.813 1.519 1.00 . A A . 12 GLN HB3 1 1 9 3213 1 1 12 GLN HE21 H -1.448 -3.047 2.118 1.00 . A A . 12 GLN HE21 1 1 9 3214 1 1 12 GLN HE22 H -2.439 -3.815 3.315 1.00 . A A . 12 GLN HE22 1 1 9 3215 1 1 12 GLN HG2 H 0.415 -1.514 3.042 1.00 . A A . 12 GLN HG2 1 1 9 3216 1 1 12 GLN HG3 H -0.204 -0.398 4.316 1.00 . A A . 12 GLN HG3 1 1 9 3217 1 1 12 GLN N N -1.168 1.813 0.963 1.00 . A A . 12 GLN N 1 1 9 3218 1 1 12 GLN NE2 N -1.811 -3.085 3.049 1.00 . A A . 12 GLN NE2 1 1 9 3219 1 1 12 GLN O O 1.957 0.569 1.844 1.00 . A A . 12 GLN O 1 1 9 3220 1 1 12 GLN OE1 O -1.866 -2.113 5.126 1.00 . A A . 12 GLN OE1 1 1 9 3221 1 1 13 VAL C C 2.748 0.703 -1.339 1.00 . A A . 13 VAL C 1 1 9 3222 1 1 13 VAL CA C 1.874 -0.419 -0.826 1.00 . A A . 13 VAL CA 1 1 9 3223 1 1 13 VAL CB C 1.347 -1.314 -1.950 1.00 . A A . 13 VAL CB 1 1 9 3224 1 1 13 VAL CG1 C 2.472 -1.835 -2.872 1.00 . A A . 13 VAL CG1 1 1 9 3225 1 1 13 VAL CG2 C 0.612 -2.506 -1.298 1.00 . A A . 13 VAL CG2 1 1 9 3226 1 1 13 VAL H H -0.095 0.147 -0.517 1.00 . A A . 13 VAL H 1 1 9 3227 1 1 13 VAL HA H 2.483 -1.009 -0.165 1.00 . A A . 13 VAL HA 1 1 9 3228 1 1 13 VAL HB H 0.619 -0.741 -2.567 1.00 . A A . 13 VAL HB 1 1 9 3229 1 1 13 VAL HG11 H 3.269 -2.322 -2.273 1.00 . A A . 13 VAL HG11 1 1 9 3230 1 1 13 VAL HG12 H 2.916 -1.010 -3.465 1.00 . A A . 13 VAL HG12 1 1 9 3231 1 1 13 VAL HG13 H 2.060 -2.580 -3.585 1.00 . A A . 13 VAL HG13 1 1 9 3232 1 1 13 VAL HG21 H 0.191 -3.167 -2.085 1.00 . A A . 13 VAL HG21 1 1 9 3233 1 1 13 VAL HG22 H -0.218 -2.169 -0.647 1.00 . A A . 13 VAL HG22 1 1 9 3234 1 1 13 VAL HG23 H 1.320 -3.099 -0.681 1.00 . A A . 13 VAL HG23 1 1 9 3235 1 1 13 VAL N N 0.783 0.124 -0.045 1.00 . A A . 13 VAL N 1 1 9 3236 1 1 13 VAL O O 3.916 0.497 -1.659 1.00 . A A . 13 VAL O 1 1 9 3237 1 1 14 LYS C C 4.054 3.472 -0.816 1.00 . A A . 14 LYS C 1 1 9 3238 1 1 14 LYS CA C 2.912 3.147 -1.753 1.00 . A A . 14 LYS CA 1 1 9 3239 1 1 14 LYS CB C 1.951 4.362 -1.773 1.00 . A A . 14 LYS CB 1 1 9 3240 1 1 14 LYS CD C 2.065 5.052 -4.244 1.00 . A A . 14 LYS CD 1 1 9 3241 1 1 14 LYS CE C 0.578 5.016 -4.642 1.00 . A A . 14 LYS CE 1 1 9 3242 1 1 14 LYS CG C 2.340 5.453 -2.782 1.00 . A A . 14 LYS CG 1 1 9 3243 1 1 14 LYS H H 1.263 2.072 -1.107 1.00 . A A . 14 LYS H 1 1 9 3244 1 1 14 LYS HA H 3.313 2.966 -2.740 1.00 . A A . 14 LYS HA 1 1 9 3245 1 1 14 LYS HB2 H 0.933 4.001 -2.035 1.00 . A A . 14 LYS HB2 1 1 9 3246 1 1 14 LYS HB3 H 1.874 4.811 -0.759 1.00 . A A . 14 LYS HB3 1 1 9 3247 1 1 14 LYS HD2 H 2.594 5.767 -4.912 1.00 . A A . 14 LYS HD2 1 1 9 3248 1 1 14 LYS HD3 H 2.495 4.039 -4.414 1.00 . A A . 14 LYS HD3 1 1 9 3249 1 1 14 LYS HE2 H 0.478 4.729 -5.710 1.00 . A A . 14 LYS HE2 1 1 9 3250 1 1 14 LYS HE3 H 0.018 4.288 -4.021 1.00 . A A . 14 LYS HE3 1 1 9 3251 1 1 14 LYS HG2 H 1.782 6.384 -2.546 1.00 . A A . 14 LYS HG2 1 1 9 3252 1 1 14 LYS HG3 H 3.423 5.674 -2.664 1.00 . A A . 14 LYS HG3 1 1 9 3253 1 1 14 LYS HZ1 H -0.008 6.627 -3.476 1.00 . A A . 14 LYS HZ1 1 1 9 3254 1 1 14 LYS HZ2 H -1.063 6.280 -4.761 1.00 . A A . 14 LYS HZ2 1 1 9 3255 1 1 14 LYS HZ3 H 0.424 7.041 -5.065 1.00 . A A . 14 LYS HZ3 1 1 9 3256 1 1 14 LYS N N 2.214 1.944 -1.363 1.00 . A A . 14 LYS N 1 1 9 3257 1 1 14 LYS NZ N -0.066 6.340 -4.474 1.00 . A A . 14 LYS NZ 1 1 9 3258 1 1 14 LYS O O 5.092 3.974 -1.243 1.00 . A A . 14 LYS O 1 1 9 3259 1 1 15 VAL C C 5.954 2.377 1.428 1.00 . A A . 15 VAL C 1 1 9 3260 1 1 15 VAL CA C 4.837 3.388 1.548 1.00 . A A . 15 VAL CA 1 1 9 3261 1 1 15 VAL CB C 4.201 3.287 2.934 1.00 . A A . 15 VAL CB 1 1 9 3262 1 1 15 VAL CG1 C 5.225 3.631 4.038 1.00 . A A . 15 VAL CG1 1 1 9 3263 1 1 15 VAL CG2 C 2.990 4.242 2.999 1.00 . A A . 15 VAL CG2 1 1 9 3264 1 1 15 VAL H H 3.018 2.745 0.795 1.00 . A A . 15 VAL H 1 1 9 3265 1 1 15 VAL HA H 5.248 4.379 1.414 1.00 . A A . 15 VAL HA 1 1 9 3266 1 1 15 VAL HB H 3.828 2.252 3.107 1.00 . A A . 15 VAL HB 1 1 9 3267 1 1 15 VAL HG11 H 4.723 3.644 5.029 1.00 . A A . 15 VAL HG11 1 1 9 3268 1 1 15 VAL HG12 H 5.670 4.632 3.855 1.00 . A A . 15 VAL HG12 1 1 9 3269 1 1 15 VAL HG13 H 6.040 2.879 4.081 1.00 . A A . 15 VAL HG13 1 1 9 3270 1 1 15 VAL HG21 H 3.299 5.278 2.749 1.00 . A A . 15 VAL HG21 1 1 9 3271 1 1 15 VAL HG22 H 2.561 4.240 4.024 1.00 . A A . 15 VAL HG22 1 1 9 3272 1 1 15 VAL HG23 H 2.193 3.925 2.299 1.00 . A A . 15 VAL HG23 1 1 9 3273 1 1 15 VAL N N 3.872 3.161 0.493 1.00 . A A . 15 VAL N 1 1 9 3274 1 1 15 VAL O O 7.113 2.685 1.702 1.00 . A A . 15 VAL O 1 1 9 3275 1 1 16 PHE C C 7.484 0.342 -0.362 1.00 . A A . 16 PHE C 1 1 9 3276 1 1 16 PHE CA C 6.552 0.052 0.797 1.00 . A A . 16 PHE CA 1 1 9 3277 1 1 16 PHE CB C 5.803 -1.288 0.551 1.00 . A A . 16 PHE CB 1 1 9 3278 1 1 16 PHE CD1 C 7.309 -2.928 1.756 1.00 . A A . 16 PHE CD1 1 1 9 3279 1 1 16 PHE CD2 C 7.062 -3.131 -0.646 1.00 . A A . 16 PHE CD2 1 1 9 3280 1 1 16 PHE CE1 C 8.194 -4.013 1.757 1.00 . A A . 16 PHE CE1 1 1 9 3281 1 1 16 PHE CE2 C 7.948 -4.214 -0.647 1.00 . A A . 16 PHE CE2 1 1 9 3282 1 1 16 PHE CG C 6.734 -2.475 0.555 1.00 . A A . 16 PHE CG 1 1 9 3283 1 1 16 PHE CZ C 8.514 -4.657 0.555 1.00 . A A . 16 PHE CZ 1 1 9 3284 1 1 16 PHE H H 4.674 0.924 0.752 1.00 . A A . 16 PHE H 1 1 9 3285 1 1 16 PHE HA H 7.139 -0.023 1.702 1.00 . A A . 16 PHE HA 1 1 9 3286 1 1 16 PHE HB2 H 5.059 -1.446 1.361 1.00 . A A . 16 PHE HB2 1 1 9 3287 1 1 16 PHE HB3 H 5.258 -1.262 -0.416 1.00 . A A . 16 PHE HB3 1 1 9 3288 1 1 16 PHE HD1 H 7.070 -2.434 2.686 1.00 . A A . 16 PHE HD1 1 1 9 3289 1 1 16 PHE HD2 H 6.633 -2.789 -1.576 1.00 . A A . 16 PHE HD2 1 1 9 3290 1 1 16 PHE HE1 H 8.630 -4.354 2.684 1.00 . A A . 16 PHE HE1 1 1 9 3291 1 1 16 PHE HE2 H 8.196 -4.708 -1.576 1.00 . A A . 16 PHE HE2 1 1 9 3292 1 1 16 PHE HZ H 9.198 -5.493 0.555 1.00 . A A . 16 PHE HZ 1 1 9 3293 1 1 16 PHE N N 5.619 1.141 0.980 1.00 . A A . 16 PHE N 1 1 9 3294 1 1 16 PHE O O 8.667 0.015 -0.296 1.00 . A A . 16 PHE O 1 1 9 3295 1 1 17 ASN C C 8.586 2.507 -2.411 1.00 . A A . 17 ASN C 1 1 9 3296 1 1 17 ASN CA C 7.716 1.298 -2.635 1.00 . A A . 17 ASN CA 1 1 9 3297 1 1 17 ASN CB C 6.817 1.615 -3.861 1.00 . A A . 17 ASN CB 1 1 9 3298 1 1 17 ASN CG C 5.899 0.441 -4.238 1.00 . A A . 17 ASN CG 1 1 9 3299 1 1 17 ASN H H 6.003 1.248 -1.461 1.00 . A A . 17 ASN H 1 1 9 3300 1 1 17 ASN HA H 8.367 0.464 -2.856 1.00 . A A . 17 ASN HA 1 1 9 3301 1 1 17 ASN HB2 H 6.174 2.494 -3.633 1.00 . A A . 17 ASN HB2 1 1 9 3302 1 1 17 ASN HB3 H 7.446 1.859 -4.743 1.00 . A A . 17 ASN HB3 1 1 9 3303 1 1 17 ASN HD21 H 7.436 -0.915 -4.056 1.00 . A A . 17 ASN HD21 1 1 9 3304 1 1 17 ASN HD22 H 5.915 -1.594 -4.534 1.00 . A A . 17 ASN HD22 1 1 9 3305 1 1 17 ASN N N 6.963 0.979 -1.440 1.00 . A A . 17 ASN N 1 1 9 3306 1 1 17 ASN ND2 N 6.468 -0.801 -4.280 1.00 . A A . 17 ASN ND2 1 1 9 3307 1 1 17 ASN O O 9.592 2.679 -3.096 1.00 . A A . 17 ASN O 1 1 9 3308 1 1 17 ASN OD1 O 4.709 0.651 -4.505 1.00 . A A . 17 ASN OD1 1 1 9 3309 1 1 18 HIS C C 10.227 4.104 -0.319 1.00 . A A . 18 HIS C 1 1 9 3310 1 1 18 HIS CA C 8.986 4.533 -1.059 1.00 . A A . 18 HIS CA 1 1 9 3311 1 1 18 HIS CB C 8.169 5.504 -0.179 1.00 . A A . 18 HIS CB 1 1 9 3312 1 1 18 HIS CD2 C 9.596 7.221 1.124 1.00 . A A . 18 HIS CD2 1 1 9 3313 1 1 18 HIS CE1 C 9.668 8.829 -0.283 1.00 . A A . 18 HIS CE1 1 1 9 3314 1 1 18 HIS CG C 8.865 6.814 0.054 1.00 . A A . 18 HIS CG 1 1 9 3315 1 1 18 HIS H H 7.403 3.205 -0.886 1.00 . A A . 18 HIS H 1 1 9 3316 1 1 18 HIS HA H 9.281 5.055 -1.955 1.00 . A A . 18 HIS HA 1 1 9 3317 1 1 18 HIS HB2 H 7.200 5.714 -0.680 1.00 . A A . 18 HIS HB2 1 1 9 3318 1 1 18 HIS HB3 H 7.942 5.033 0.801 1.00 . A A . 18 HIS HB3 1 1 9 3319 1 1 18 HIS HD1 H 8.495 7.862 -1.760 1.00 . A A . 18 HIS HD1 1 1 9 3320 1 1 18 HIS HD2 H 9.827 6.672 2.026 1.00 . A A . 18 HIS HD2 1 1 9 3321 1 1 18 HIS HE1 H 9.882 9.774 -0.780 1.00 . A A . 18 HIS HE1 1 1 9 3322 1 1 18 HIS N N 8.225 3.364 -1.426 1.00 . A A . 18 HIS N 1 1 9 3323 1 1 18 HIS ND1 N 8.921 7.850 -0.854 1.00 . A A . 18 HIS ND1 1 1 9 3324 1 1 18 HIS NE2 N 10.099 8.493 0.919 1.00 . A A . 18 HIS NE2 1 1 9 3325 1 1 18 HIS O O 11.324 4.569 -0.621 1.00 . A A . 18 HIS O 1 1 9 3326 1 1 19 GLY C C 11.791 1.440 0.838 1.00 . A A . 19 GLY C 1 1 9 3327 1 1 19 GLY CA C 11.153 2.655 1.452 1.00 . A A . 19 GLY CA 1 1 9 3328 1 1 19 GLY H H 9.171 2.789 0.854 1.00 . A A . 19 GLY H 1 1 9 3329 1 1 19 GLY HA2 H 11.908 3.420 1.562 1.00 . A A . 19 GLY HA2 1 1 9 3330 1 1 19 GLY HA3 H 10.716 2.359 2.395 1.00 . A A . 19 GLY HA3 1 1 9 3331 1 1 19 GLY N N 10.070 3.165 0.645 1.00 . A A . 19 GLY N 1 1 9 3332 1 1 19 GLY O O 12.463 0.678 1.533 1.00 . A A . 19 GLY O 1 1 9 3333 1 1 20 GLU C C 13.633 0.634 -1.606 1.00 . A A . 20 GLU C 1 1 9 3334 1 1 20 GLU CA C 12.243 0.183 -1.249 1.00 . A A . 20 GLU CA 1 1 9 3335 1 1 20 GLU CB C 11.433 -0.133 -2.533 1.00 . A A . 20 GLU CB 1 1 9 3336 1 1 20 GLU CD C 13.072 -1.108 -4.226 1.00 . A A . 20 GLU CD 1 1 9 3337 1 1 20 GLU CG C 11.861 -1.382 -3.333 1.00 . A A . 20 GLU CG 1 1 9 3338 1 1 20 GLU H H 11.033 1.846 -1.029 1.00 . A A . 20 GLU H 1 1 9 3339 1 1 20 GLU HA H 12.301 -0.705 -0.632 1.00 . A A . 20 GLU HA 1 1 9 3340 1 1 20 GLU HB2 H 10.387 -0.327 -2.202 1.00 . A A . 20 GLU HB2 1 1 9 3341 1 1 20 GLU HB3 H 11.398 0.758 -3.195 1.00 . A A . 20 GLU HB3 1 1 9 3342 1 1 20 GLU HG2 H 12.075 -2.219 -2.636 1.00 . A A . 20 GLU HG2 1 1 9 3343 1 1 20 GLU HG3 H 11.016 -1.687 -3.989 1.00 . A A . 20 GLU HG3 1 1 9 3344 1 1 20 GLU N N 11.616 1.240 -0.492 1.00 . A A . 20 GLU N 1 1 9 3345 1 1 20 GLU O O 14.588 -0.137 -1.520 1.00 . A A . 20 GLU O 1 1 9 3346 1 1 20 GLU OE1 O 12.981 -0.187 -5.082 1.00 . A A . 20 GLU OE1 1 1 9 3347 1 1 20 GLU OE2 O 14.100 -1.819 -4.069 1.00 . A A . 20 GLU OE2 1 1 9 3348 1 1 21 HIS C C 15.976 2.781 -1.426 1.00 . A A . 21 HIS C 1 1 9 3349 1 1 21 HIS CA C 14.979 2.501 -2.521 1.00 . A A . 21 HIS CA 1 1 9 3350 1 1 21 HIS CB C 14.693 3.811 -3.284 1.00 . A A . 21 HIS CB 1 1 9 3351 1 1 21 HIS CD2 C 12.338 3.825 -4.343 1.00 . A A . 21 HIS CD2 1 1 9 3352 1 1 21 HIS CE1 C 12.740 2.872 -6.213 1.00 . A A . 21 HIS CE1 1 1 9 3353 1 1 21 HIS CG C 13.676 3.590 -4.363 1.00 . A A . 21 HIS CG 1 1 9 3354 1 1 21 HIS H H 12.972 2.529 -2.025 1.00 . A A . 21 HIS H 1 1 9 3355 1 1 21 HIS HA H 15.403 1.794 -3.217 1.00 . A A . 21 HIS HA 1 1 9 3356 1 1 21 HIS HB2 H 14.286 4.571 -2.580 1.00 . A A . 21 HIS HB2 1 1 9 3357 1 1 21 HIS HB3 H 15.615 4.219 -3.747 1.00 . A A . 21 HIS HB3 1 1 9 3358 1 1 21 HIS HD1 H 14.822 2.642 -5.885 1.00 . A A . 21 HIS HD1 1 1 9 3359 1 1 21 HIS HD2 H 11.742 4.256 -3.551 1.00 . A A . 21 HIS HD2 1 1 9 3360 1 1 21 HIS HE1 H 12.639 2.410 -7.194 1.00 . A A . 21 HIS HE1 1 1 9 3361 1 1 21 HIS N N 13.762 1.922 -2.006 1.00 . A A . 21 HIS N 1 1 9 3362 1 1 21 HIS ND1 N 13.931 2.970 -5.568 1.00 . A A . 21 HIS ND1 1 1 9 3363 1 1 21 HIS NE2 N 11.745 3.376 -5.508 1.00 . A A . 21 HIS NE2 1 1 9 3364 1 1 21 HIS O O 15.717 2.550 -0.245 1.00 . A A . 21 HIS O 1 1 9 3365 1 1 22 ILE C C 17.963 5.033 -0.467 1.00 . A A . 22 ILE C 1 1 9 3366 1 1 22 ILE CA C 18.247 3.640 -0.938 1.00 . A A . 22 ILE CA 1 1 9 3367 1 1 22 ILE CB C 19.623 3.529 -1.594 1.00 . A A . 22 ILE CB 1 1 9 3368 1 1 22 ILE CD1 C 21.157 1.887 -2.879 1.00 . A A . 22 ILE CD1 1 1 9 3369 1 1 22 ILE CG1 C 19.835 2.087 -2.131 1.00 . A A . 22 ILE CG1 1 1 9 3370 1 1 22 ILE CG2 C 20.716 3.932 -0.575 1.00 . A A . 22 ILE CG2 1 1 9 3371 1 1 22 ILE H H 17.349 3.456 -2.792 1.00 . A A . 22 ILE H 1 1 9 3372 1 1 22 ILE HA H 18.221 3.000 -0.084 1.00 . A A . 22 ILE HA 1 1 9 3373 1 1 22 ILE HB H 19.682 4.216 -2.469 1.00 . A A . 22 ILE HB 1 1 9 3374 1 1 22 ILE HD11 H 21.239 2.607 -3.722 1.00 . A A . 22 ILE HD11 1 1 9 3375 1 1 22 ILE HD12 H 21.211 0.856 -3.290 1.00 . A A . 22 ILE HD12 1 1 9 3376 1 1 22 ILE HD13 H 22.024 2.034 -2.201 1.00 . A A . 22 ILE HD13 1 1 9 3377 1 1 22 ILE HG12 H 19.790 1.376 -1.277 1.00 . A A . 22 ILE HG12 1 1 9 3378 1 1 22 ILE HG13 H 19.012 1.829 -2.832 1.00 . A A . 22 ILE HG13 1 1 9 3379 1 1 22 ILE HG21 H 21.724 3.863 -1.032 1.00 . A A . 22 ILE HG21 1 1 9 3380 1 1 22 ILE HG22 H 20.681 3.260 0.309 1.00 . A A . 22 ILE HG22 1 1 9 3381 1 1 22 ILE HG23 H 20.580 4.979 -0.231 1.00 . A A . 22 ILE HG23 1 1 9 3382 1 1 22 ILE N N 17.165 3.290 -1.827 1.00 . A A . 22 ILE N 1 1 9 3383 1 1 22 ILE O O 17.623 5.265 0.693 1.00 . A A . 22 ILE O 1 1 9 3384 1 1 23 HIS C C 16.320 7.557 -1.578 1.00 . A A . 23 HIS C 1 1 9 3385 1 1 23 HIS CA C 17.769 7.366 -1.237 1.00 . A A . 23 HIS CA 1 1 9 3386 1 1 23 HIS CB C 18.624 8.304 -2.121 1.00 . A A . 23 HIS CB 1 1 9 3387 1 1 23 HIS CD2 C 17.722 10.697 -2.667 1.00 . A A . 23 HIS CD2 1 1 9 3388 1 1 23 HIS CE1 C 18.190 11.691 -0.831 1.00 . A A . 23 HIS CE1 1 1 9 3389 1 1 23 HIS CG C 18.339 9.768 -1.883 1.00 . A A . 23 HIS CG 1 1 9 3390 1 1 23 HIS H H 18.392 5.700 -2.302 1.00 . A A . 23 HIS H 1 1 9 3391 1 1 23 HIS HA H 17.941 7.605 -0.204 1.00 . A A . 23 HIS HA 1 1 9 3392 1 1 23 HIS HB2 H 19.698 8.122 -1.895 1.00 . A A . 23 HIS HB2 1 1 9 3393 1 1 23 HIS HB3 H 18.462 8.054 -3.193 1.00 . A A . 23 HIS HB3 1 1 9 3394 1 1 23 HIS HD1 H 19.085 10.009 0.095 1.00 . A A . 23 HIS HD1 1 1 9 3395 1 1 23 HIS HD2 H 17.310 10.614 -3.666 1.00 . A A . 23 HIS HD2 1 1 9 3396 1 1 23 HIS HE1 H 18.295 12.434 -0.042 1.00 . A A . 23 HIS HE1 1 1 9 3397 1 1 23 HIS N N 18.078 5.980 -1.411 1.00 . A A . 23 HIS N 1 1 9 3398 1 1 23 HIS ND1 N 18.634 10.416 -0.701 1.00 . A A . 23 HIS ND1 1 1 9 3399 1 1 23 HIS NE2 N 17.628 11.908 -2.004 1.00 . A A . 23 HIS NE2 1 1 9 3400 1 1 23 HIS O O 15.868 7.156 -2.650 1.00 . A A . 23 HIS O 1 1 9 3401 1 1 24 HIS C C 13.813 9.490 0.246 1.00 . A A . 24 HIS C 1 1 9 3402 1 1 24 HIS CA C 14.167 8.446 -0.828 1.00 . A A . 24 HIS CA 1 1 9 3403 1 1 24 HIS CB C 13.248 7.209 -0.657 1.00 . A A . 24 HIS CB 1 1 9 3404 1 1 24 HIS CD2 C 12.972 6.443 1.818 1.00 . A A . 24 HIS CD2 1 1 9 3405 1 1 24 HIS CE1 C 14.368 4.823 1.869 1.00 . A A . 24 HIS CE1 1 1 9 3406 1 1 24 HIS CG C 13.513 6.374 0.570 1.00 . A A . 24 HIS CG 1 1 9 3407 1 1 24 HIS H H 15.950 8.472 0.224 1.00 . A A . 24 HIS H 1 1 9 3408 1 1 24 HIS HA H 14.023 8.873 -1.813 1.00 . A A . 24 HIS HA 1 1 9 3409 1 1 24 HIS HB2 H 12.187 7.537 -0.644 1.00 . A A . 24 HIS HB2 1 1 9 3410 1 1 24 HIS HB3 H 13.373 6.551 -1.545 1.00 . A A . 24 HIS HB3 1 1 9 3411 1 1 24 HIS HD1 H 14.980 5.011 -0.148 1.00 . A A . 24 HIS HD1 1 1 9 3412 1 1 24 HIS HD2 H 12.235 7.128 2.216 1.00 . A A . 24 HIS HD2 1 1 9 3413 1 1 24 HIS HE1 H 14.981 3.980 2.184 1.00 . A A . 24 HIS HE1 1 1 9 3414 1 1 24 HIS N N 15.564 8.172 -0.645 1.00 . A A . 24 HIS N 1 1 9 3415 1 1 24 HIS ND1 N 14.411 5.328 0.612 1.00 . A A . 24 HIS ND1 1 1 9 3416 1 1 24 HIS NE2 N 13.511 5.466 2.637 1.00 . A A . 24 HIS NE2 1 1 9 3417 1 1 24 HIS O O 14.095 9.293 1.434 1.00 . A A . 24 HIS O 1 1 9 3418 1 1 25 NH2 HN1 H 12.985 10.737 -1.166 1.00 . A A . 25 NH2 HN1 1 1 9 3419 1 1 25 NH2 HN2 H 12.934 11.338 0.458 1.00 . A A . 25 NH2 HN2 1 1 9 3420 1 1 25 NH2 N N 13.188 10.623 -0.194 1.00 . A A . 25 NH2 N 1 1 10 3421 1 1 1 ACE C C -16.355 2.229 -1.224 1.00 . A A . 1 ACE C 1 1 10 3422 1 1 1 ACE CH3 C -16.598 1.638 0.126 1.00 . A A . 1 ACE CH3 1 1 10 3423 1 1 1 ACE H1 H -17.621 1.891 0.478 1.00 . A A . 1 ACE H1 1 1 10 3424 1 1 1 ACE H2 H -16.498 0.532 0.086 1.00 . A A . 1 ACE H2 1 1 10 3425 1 1 1 ACE H3 H -15.862 2.034 0.860 1.00 . A A . 1 ACE H3 1 1 10 3426 1 1 1 ACE O O -15.470 3.068 -1.387 1.00 . A A . 1 ACE O 1 1 10 3427 1 1 2 PHE C C -15.859 1.712 -4.257 1.00 . A A . 2 PHE C 1 1 10 3428 1 1 2 PHE CA C -17.126 2.203 -3.603 1.00 . A A . 2 PHE CA 1 1 10 3429 1 1 2 PHE CB C -17.373 3.720 -3.846 1.00 . A A . 2 PHE CB 1 1 10 3430 1 1 2 PHE CD1 C -19.900 3.758 -3.901 1.00 . A A . 2 PHE CD1 1 1 10 3431 1 1 2 PHE CD2 C -18.765 4.872 -2.072 1.00 . A A . 2 PHE CD2 1 1 10 3432 1 1 2 PHE CE1 C -21.137 4.122 -3.356 1.00 . A A . 2 PHE CE1 1 1 10 3433 1 1 2 PHE CE2 C -20.002 5.237 -1.526 1.00 . A A . 2 PHE CE2 1 1 10 3434 1 1 2 PHE CG C -18.700 4.127 -3.264 1.00 . A A . 2 PHE CG 1 1 10 3435 1 1 2 PHE CZ C -21.188 4.861 -2.167 1.00 . A A . 2 PHE CZ 1 1 10 3436 1 1 2 PHE H H -17.860 1.097 -2.020 1.00 . A A . 2 PHE H 1 1 10 3437 1 1 2 PHE HA H -17.933 1.663 -4.077 1.00 . A A . 2 PHE HA 1 1 10 3438 1 1 2 PHE HB2 H -16.579 4.336 -3.375 1.00 . A A . 2 PHE HB2 1 1 10 3439 1 1 2 PHE HB3 H -17.401 3.940 -4.935 1.00 . A A . 2 PHE HB3 1 1 10 3440 1 1 2 PHE HD1 H -19.867 3.188 -4.817 1.00 . A A . 2 PHE HD1 1 1 10 3441 1 1 2 PHE HD2 H -17.854 5.161 -1.571 1.00 . A A . 2 PHE HD2 1 1 10 3442 1 1 2 PHE HE1 H -22.051 3.833 -3.851 1.00 . A A . 2 PHE HE1 1 1 10 3443 1 1 2 PHE HE2 H -20.040 5.806 -0.609 1.00 . A A . 2 PHE HE2 1 1 10 3444 1 1 2 PHE HZ H -22.143 5.142 -1.745 1.00 . A A . 2 PHE HZ 1 1 10 3445 1 1 2 PHE N N -17.162 1.780 -2.218 1.00 . A A . 2 PHE N 1 1 10 3446 1 1 2 PHE O O -15.689 0.503 -4.413 1.00 . A A . 2 PHE O 1 1 10 3447 1 1 3 GLU C C -13.793 2.091 -6.710 1.00 . A A . 3 GLU C 1 1 10 3448 1 1 3 GLU CA C -13.660 2.426 -5.248 1.00 . A A . 3 GLU CA 1 1 10 3449 1 1 3 GLU CB C -12.736 1.387 -4.555 1.00 . A A . 3 GLU CB 1 1 10 3450 1 1 3 GLU CD C -11.543 0.681 -2.424 1.00 . A A . 3 GLU CD 1 1 10 3451 1 1 3 GLU CG C -12.423 1.743 -3.089 1.00 . A A . 3 GLU CG 1 1 10 3452 1 1 3 GLU H H -15.185 3.616 -4.506 1.00 . A A . 3 GLU H 1 1 10 3453 1 1 3 GLU HA H -13.138 3.371 -5.174 1.00 . A A . 3 GLU HA 1 1 10 3454 1 1 3 GLU HB2 H -13.212 0.384 -4.601 1.00 . A A . 3 GLU HB2 1 1 10 3455 1 1 3 GLU HB3 H -11.775 1.331 -5.113 1.00 . A A . 3 GLU HB3 1 1 10 3456 1 1 3 GLU HG2 H -11.900 2.722 -3.060 1.00 . A A . 3 GLU HG2 1 1 10 3457 1 1 3 GLU HG3 H -13.368 1.830 -2.513 1.00 . A A . 3 GLU HG3 1 1 10 3458 1 1 3 GLU N N -14.958 2.655 -4.642 1.00 . A A . 3 GLU N 1 1 10 3459 1 1 3 GLU O O -14.601 1.252 -7.105 1.00 . A A . 3 GLU O 1 1 10 3460 1 1 3 GLU OE1 O -11.253 -0.364 -3.065 1.00 . A A . 3 GLU OE1 1 1 10 3461 1 1 3 GLU OE2 O -11.155 0.906 -1.247 1.00 . A A . 3 GLU OE2 1 1 10 3462 1 1 4 ASP C C -11.644 1.525 -9.007 1.00 . A A . 4 ASP C 1 1 10 3463 1 1 4 ASP CA C -12.817 2.456 -8.953 1.00 . A A . 4 ASP CA 1 1 10 3464 1 1 4 ASP CB C -12.620 3.736 -9.817 1.00 . A A . 4 ASP CB 1 1 10 3465 1 1 4 ASP CG C -12.623 3.420 -11.316 1.00 . A A . 4 ASP CG 1 1 10 3466 1 1 4 ASP H H -12.347 3.457 -7.201 1.00 . A A . 4 ASP H 1 1 10 3467 1 1 4 ASP HA H -13.678 1.923 -9.298 1.00 . A A . 4 ASP HA 1 1 10 3468 1 1 4 ASP HB2 H -13.470 4.425 -9.616 1.00 . A A . 4 ASP HB2 1 1 10 3469 1 1 4 ASP HB3 H -11.686 4.269 -9.543 1.00 . A A . 4 ASP HB3 1 1 10 3470 1 1 4 ASP N N -12.962 2.755 -7.548 1.00 . A A . 4 ASP N 1 1 10 3471 1 1 4 ASP O O -11.785 0.316 -9.184 1.00 . A A . 4 ASP O 1 1 10 3472 1 1 4 ASP OD1 O -13.624 2.823 -11.792 1.00 . A A . 4 ASP OD1 1 1 10 3473 1 1 4 ASP OD2 O -11.629 3.780 -12.001 1.00 . A A . 4 ASP OD2 1 1 10 3474 1 1 5 LEU C C -9.168 1.404 -6.961 1.00 . A A . 5 LEU C 1 1 10 3475 1 1 5 LEU CA C -9.241 1.400 -8.470 1.00 . A A . 5 LEU CA 1 1 10 3476 1 1 5 LEU CB C -7.947 2.093 -8.973 1.00 . A A . 5 LEU CB 1 1 10 3477 1 1 5 LEU CD1 C -8.638 2.485 -11.444 1.00 . A A . 5 LEU CD1 1 1 10 3478 1 1 5 LEU CD2 C -6.194 2.379 -10.788 1.00 . A A . 5 LEU CD2 1 1 10 3479 1 1 5 LEU CG C -7.614 1.869 -10.471 1.00 . A A . 5 LEU CG 1 1 10 3480 1 1 5 LEU H H -10.451 3.100 -8.696 1.00 . A A . 5 LEU H 1 1 10 3481 1 1 5 LEU HA H -9.293 0.400 -8.870 1.00 . A A . 5 LEU HA 1 1 10 3482 1 1 5 LEU HB2 H -8.006 3.184 -8.764 1.00 . A A . 5 LEU HB2 1 1 10 3483 1 1 5 LEU HB3 H -7.081 1.689 -8.398 1.00 . A A . 5 LEU HB3 1 1 10 3484 1 1 5 LEU HD11 H -8.307 2.332 -12.493 1.00 . A A . 5 LEU HD11 1 1 10 3485 1 1 5 LEU HD12 H -8.738 3.575 -11.259 1.00 . A A . 5 LEU HD12 1 1 10 3486 1 1 5 LEU HD13 H -9.632 2.007 -11.326 1.00 . A A . 5 LEU HD13 1 1 10 3487 1 1 5 LEU HD21 H -6.136 3.476 -10.628 1.00 . A A . 5 LEU HD21 1 1 10 3488 1 1 5 LEU HD22 H -5.934 2.160 -11.845 1.00 . A A . 5 LEU HD22 1 1 10 3489 1 1 5 LEU HD23 H -5.451 1.882 -10.130 1.00 . A A . 5 LEU HD23 1 1 10 3490 1 1 5 LEU HG H -7.611 0.768 -10.646 1.00 . A A . 5 LEU HG 1 1 10 3491 1 1 5 LEU N N -10.458 2.110 -8.776 1.00 . A A . 5 LEU N 1 1 10 3492 1 1 5 LEU O O -9.547 2.411 -6.363 1.00 . A A . 5 LEU O 1 1 10 3493 1 1 6 PRO C C -7.125 1.252 -4.643 1.00 . A A . 6 PRO C 1 1 10 3494 1 1 6 PRO CA C -8.347 0.394 -4.882 1.00 . A A . 6 PRO CA 1 1 10 3495 1 1 6 PRO CB C -8.094 -1.076 -4.500 1.00 . A A . 6 PRO CB 1 1 10 3496 1 1 6 PRO CD C -8.781 -1.023 -6.785 1.00 . A A . 6 PRO CD 1 1 10 3497 1 1 6 PRO CG C -8.920 -1.866 -5.517 1.00 . A A . 6 PRO CG 1 1 10 3498 1 1 6 PRO HA H -9.179 0.804 -4.328 1.00 . A A . 6 PRO HA 1 1 10 3499 1 1 6 PRO HB2 H -7.032 -1.374 -4.632 1.00 . A A . 6 PRO HB2 1 1 10 3500 1 1 6 PRO HB3 H -8.404 -1.286 -3.456 1.00 . A A . 6 PRO HB3 1 1 10 3501 1 1 6 PRO HD2 H -7.841 -1.267 -7.323 1.00 . A A . 6 PRO HD2 1 1 10 3502 1 1 6 PRO HD3 H -9.661 -1.169 -7.449 1.00 . A A . 6 PRO HD3 1 1 10 3503 1 1 6 PRO HG2 H -8.555 -2.903 -5.651 1.00 . A A . 6 PRO HG2 1 1 10 3504 1 1 6 PRO HG3 H -9.986 -1.882 -5.199 1.00 . A A . 6 PRO HG3 1 1 10 3505 1 1 6 PRO N N -8.689 0.353 -6.296 1.00 . A A . 6 PRO N 1 1 10 3506 1 1 6 PRO O O -6.006 0.748 -4.712 1.00 . A A . 6 PRO O 1 1 10 3507 1 1 7 ASN C C -6.017 3.423 -2.560 1.00 . A A . 7 ASN C 1 1 10 3508 1 1 7 ASN CA C -6.281 3.498 -4.040 1.00 . A A . 7 ASN CA 1 1 10 3509 1 1 7 ASN CB C -6.688 4.945 -4.431 1.00 . A A . 7 ASN CB 1 1 10 3510 1 1 7 ASN CG C -5.489 5.907 -4.373 1.00 . A A . 7 ASN CG 1 1 10 3511 1 1 7 ASN H H -8.252 2.939 -4.363 1.00 . A A . 7 ASN H 1 1 10 3512 1 1 7 ASN HA H -5.391 3.196 -4.564 1.00 . A A . 7 ASN HA 1 1 10 3513 1 1 7 ASN HB2 H -7.084 4.936 -5.471 1.00 . A A . 7 ASN HB2 1 1 10 3514 1 1 7 ASN HB3 H -7.493 5.317 -3.766 1.00 . A A . 7 ASN HB3 1 1 10 3515 1 1 7 ASN HD21 H -4.738 5.137 -6.127 1.00 . A A . 7 ASN HD21 1 1 10 3516 1 1 7 ASN HD22 H -3.792 6.407 -5.423 1.00 . A A . 7 ASN HD22 1 1 10 3517 1 1 7 ASN N N -7.331 2.558 -4.354 1.00 . A A . 7 ASN N 1 1 10 3518 1 1 7 ASN ND2 N -4.590 5.804 -5.397 1.00 . A A . 7 ASN ND2 1 1 10 3519 1 1 7 ASN O O -4.909 3.676 -2.094 1.00 . A A . 7 ASN O 1 1 10 3520 1 1 7 ASN OD1 O -5.370 6.710 -3.440 1.00 . A A . 7 ASN OD1 1 1 10 3521 1 1 8 PHE C C -6.575 1.522 0.005 1.00 . A A . 8 PHE C 1 1 10 3522 1 1 8 PHE CA C -7.064 2.897 -0.368 1.00 . A A . 8 PHE CA 1 1 10 3523 1 1 8 PHE CB C -8.476 3.081 0.238 1.00 . A A . 8 PHE CB 1 1 10 3524 1 1 8 PHE CD1 C -8.489 5.600 0.455 1.00 . A A . 8 PHE CD1 1 1 10 3525 1 1 8 PHE CD2 C -10.019 4.565 -1.111 1.00 . A A . 8 PHE CD2 1 1 10 3526 1 1 8 PHE CE1 C -8.963 6.864 0.084 1.00 . A A . 8 PHE CE1 1 1 10 3527 1 1 8 PHE CE2 C -10.494 5.827 -1.485 1.00 . A A . 8 PHE CE2 1 1 10 3528 1 1 8 PHE CG C -9.012 4.437 -0.138 1.00 . A A . 8 PHE CG 1 1 10 3529 1 1 8 PHE CZ C -9.966 6.978 -0.888 1.00 . A A . 8 PHE CZ 1 1 10 3530 1 1 8 PHE H H -7.925 2.825 -2.261 1.00 . A A . 8 PHE H 1 1 10 3531 1 1 8 PHE HA H -6.388 3.628 0.051 1.00 . A A . 8 PHE HA 1 1 10 3532 1 1 8 PHE HB2 H -9.171 2.303 -0.144 1.00 . A A . 8 PHE HB2 1 1 10 3533 1 1 8 PHE HB3 H -8.441 3.021 1.347 1.00 . A A . 8 PHE HB3 1 1 10 3534 1 1 8 PHE HD1 H -7.711 5.519 1.200 1.00 . A A . 8 PHE HD1 1 1 10 3535 1 1 8 PHE HD2 H -10.423 3.682 -1.583 1.00 . A A . 8 PHE HD2 1 1 10 3536 1 1 8 PHE HE1 H -8.554 7.750 0.544 1.00 . A A . 8 PHE HE1 1 1 10 3537 1 1 8 PHE HE2 H -11.267 5.913 -2.236 1.00 . A A . 8 PHE HE2 1 1 10 3538 1 1 8 PHE HZ H -10.331 7.952 -1.175 1.00 . A A . 8 PHE HZ 1 1 10 3539 1 1 8 PHE N N -7.067 3.040 -1.805 1.00 . A A . 8 PHE N 1 1 10 3540 1 1 8 PHE O O -6.250 1.271 1.163 1.00 . A A . 8 PHE O 1 1 10 3541 1 1 9 GLY C C -4.442 -0.627 -1.155 1.00 . A A . 9 GLY C 1 1 10 3542 1 1 9 GLY CA C -5.904 -0.706 -0.823 1.00 . A A . 9 GLY CA 1 1 10 3543 1 1 9 GLY H H -6.787 0.820 -1.913 1.00 . A A . 9 GLY H 1 1 10 3544 1 1 9 GLY HA2 H -6.021 -1.035 0.200 1.00 . A A . 9 GLY HA2 1 1 10 3545 1 1 9 GLY HA3 H -6.382 -1.355 -1.541 1.00 . A A . 9 GLY HA3 1 1 10 3546 1 1 9 GLY N N -6.492 0.602 -0.986 1.00 . A A . 9 GLY N 1 1 10 3547 1 1 9 GLY O O -3.629 -1.361 -0.599 1.00 . A A . 9 GLY O 1 1 10 3548 1 1 10 HIS C C -2.011 1.508 -1.746 1.00 . A A . 10 HIS C 1 1 10 3549 1 1 10 HIS CA C -2.742 0.480 -2.579 1.00 . A A . 10 HIS CA 1 1 10 3550 1 1 10 HIS CB C -2.767 0.964 -4.053 1.00 . A A . 10 HIS CB 1 1 10 3551 1 1 10 HIS CD2 C -0.634 2.013 -5.108 1.00 . A A . 10 HIS CD2 1 1 10 3552 1 1 10 HIS CE1 C 0.421 0.241 -5.677 1.00 . A A . 10 HIS CE1 1 1 10 3553 1 1 10 HIS CG C -1.429 0.970 -4.746 1.00 . A A . 10 HIS CG 1 1 10 3554 1 1 10 HIS H H -4.771 0.878 -2.509 1.00 . A A . 10 HIS H 1 1 10 3555 1 1 10 HIS HA H -2.211 -0.461 -2.523 1.00 . A A . 10 HIS HA 1 1 10 3556 1 1 10 HIS HB2 H -3.429 0.284 -4.632 1.00 . A A . 10 HIS HB2 1 1 10 3557 1 1 10 HIS HB3 H -3.210 1.982 -4.105 1.00 . A A . 10 HIS HB3 1 1 10 3558 1 1 10 HIS HD1 H -1.058 -1.110 -4.985 1.00 . A A . 10 HIS HD1 1 1 10 3559 1 1 10 HIS HD2 H -0.795 3.077 -4.996 1.00 . A A . 10 HIS HD2 1 1 10 3560 1 1 10 HIS HE1 H 1.167 -0.454 -6.057 1.00 . A A . 10 HIS HE1 1 1 10 3561 1 1 10 HIS N N -4.086 0.290 -2.089 1.00 . A A . 10 HIS N 1 1 10 3562 1 1 10 HIS ND1 N -0.746 -0.168 -5.117 1.00 . A A . 10 HIS ND1 1 1 10 3563 1 1 10 HIS NE2 N 0.535 1.556 -5.691 1.00 . A A . 10 HIS NE2 1 1 10 3564 1 1 10 HIS O O -0.884 1.870 -2.071 1.00 . A A . 10 HIS O 1 1 10 3565 1 1 11 ILE C C -0.888 2.681 0.942 1.00 . A A . 11 ILE C 1 1 10 3566 1 1 11 ILE CA C -2.121 3.093 0.166 1.00 . A A . 11 ILE CA 1 1 10 3567 1 1 11 ILE CB C -3.209 3.661 1.086 1.00 . A A . 11 ILE CB 1 1 10 3568 1 1 11 ILE CD1 C -2.840 6.166 0.570 1.00 . A A . 11 ILE CD1 1 1 10 3569 1 1 11 ILE CG1 C -2.877 5.070 1.640 1.00 . A A . 11 ILE CG1 1 1 10 3570 1 1 11 ILE CG2 C -3.567 2.673 2.221 1.00 . A A . 11 ILE CG2 1 1 10 3571 1 1 11 ILE H H -3.524 1.659 -0.367 1.00 . A A . 11 ILE H 1 1 10 3572 1 1 11 ILE HA H -1.824 3.864 -0.529 1.00 . A A . 11 ILE HA 1 1 10 3573 1 1 11 ILE HB H -4.129 3.778 0.465 1.00 . A A . 11 ILE HB 1 1 10 3574 1 1 11 ILE HD11 H -2.687 7.159 1.046 1.00 . A A . 11 ILE HD11 1 1 10 3575 1 1 11 ILE HD12 H -3.798 6.190 0.007 1.00 . A A . 11 ILE HD12 1 1 10 3576 1 1 11 ILE HD13 H -2.012 5.993 -0.145 1.00 . A A . 11 ILE HD13 1 1 10 3577 1 1 11 ILE HG12 H -3.666 5.340 2.378 1.00 . A A . 11 ILE HG12 1 1 10 3578 1 1 11 ILE HG13 H -1.907 5.042 2.180 1.00 . A A . 11 ILE HG13 1 1 10 3579 1 1 11 ILE HG21 H -3.770 1.661 1.813 1.00 . A A . 11 ILE HG21 1 1 10 3580 1 1 11 ILE HG22 H -4.475 3.026 2.754 1.00 . A A . 11 ILE HG22 1 1 10 3581 1 1 11 ILE HG23 H -2.740 2.602 2.957 1.00 . A A . 11 ILE HG23 1 1 10 3582 1 1 11 ILE N N -2.628 2.001 -0.642 1.00 . A A . 11 ILE N 1 1 10 3583 1 1 11 ILE O O 0.000 3.495 1.192 1.00 . A A . 11 ILE O 1 1 10 3584 1 1 12 GLN C C 1.466 0.612 1.108 1.00 . A A . 12 GLN C 1 1 10 3585 1 1 12 GLN CA C 0.290 0.781 2.031 1.00 . A A . 12 GLN CA 1 1 10 3586 1 1 12 GLN CB C -0.145 -0.598 2.599 1.00 . A A . 12 GLN CB 1 1 10 3587 1 1 12 GLN CD C 2.085 -1.775 3.169 1.00 . A A . 12 GLN CD 1 1 10 3588 1 1 12 GLN CG C 0.755 -1.213 3.696 1.00 . A A . 12 GLN CG 1 1 10 3589 1 1 12 GLN H H -1.531 0.742 1.059 1.00 . A A . 12 GLN H 1 1 10 3590 1 1 12 GLN HA H 0.559 1.445 2.841 1.00 . A A . 12 GLN HA 1 1 10 3591 1 1 12 GLN HB2 H -1.138 -0.440 3.078 1.00 . A A . 12 GLN HB2 1 1 10 3592 1 1 12 GLN HB3 H -0.306 -1.322 1.772 1.00 . A A . 12 GLN HB3 1 1 10 3593 1 1 12 GLN HE21 H 1.106 -2.998 1.835 1.00 . A A . 12 GLN HE21 1 1 10 3594 1 1 12 GLN HE22 H 2.834 -3.118 1.803 1.00 . A A . 12 GLN HE22 1 1 10 3595 1 1 12 GLN HG2 H 0.969 -0.444 4.467 1.00 . A A . 12 GLN HG2 1 1 10 3596 1 1 12 GLN HG3 H 0.200 -2.045 4.185 1.00 . A A . 12 GLN HG3 1 1 10 3597 1 1 12 GLN N N -0.800 1.376 1.298 1.00 . A A . 12 GLN N 1 1 10 3598 1 1 12 GLN NE2 N 2.000 -2.716 2.180 1.00 . A A . 12 GLN NE2 1 1 10 3599 1 1 12 GLN O O 2.613 0.769 1.517 1.00 . A A . 12 GLN O 1 1 10 3600 1 1 12 GLN OE1 O 3.158 -1.384 3.643 1.00 . A A . 12 GLN OE1 1 1 10 3601 1 1 13 VAL C C 2.941 1.144 -1.645 1.00 . A A . 13 VAL C 1 1 10 3602 1 1 13 VAL CA C 2.154 -0.062 -1.188 1.00 . A A . 13 VAL CA 1 1 10 3603 1 1 13 VAL CB C 1.502 -0.768 -2.375 1.00 . A A . 13 VAL CB 1 1 10 3604 1 1 13 VAL CG1 C 2.563 -1.319 -3.356 1.00 . A A . 13 VAL CG1 1 1 10 3605 1 1 13 VAL CG2 C 0.607 -1.916 -1.855 1.00 . A A . 13 VAL CG2 1 1 10 3606 1 1 13 VAL H H 0.235 0.268 -0.487 1.00 . A A . 13 VAL H 1 1 10 3607 1 1 13 VAL HA H 2.845 -0.735 -0.716 1.00 . A A . 13 VAL HA 1 1 10 3608 1 1 13 VAL HB H 0.852 -0.049 -2.921 1.00 . A A . 13 VAL HB 1 1 10 3609 1 1 13 VAL HG11 H 3.116 -0.498 -3.857 1.00 . A A . 13 VAL HG11 1 1 10 3610 1 1 13 VAL HG12 H 2.069 -1.921 -4.147 1.00 . A A . 13 VAL HG12 1 1 10 3611 1 1 13 VAL HG13 H 3.289 -1.965 -2.820 1.00 . A A . 13 VAL HG13 1 1 10 3612 1 1 13 VAL HG21 H 0.206 -2.495 -2.713 1.00 . A A . 13 VAL HG21 1 1 10 3613 1 1 13 VAL HG22 H -0.257 -1.535 -1.274 1.00 . A A . 13 VAL HG22 1 1 10 3614 1 1 13 VAL HG23 H 1.198 -2.604 -1.214 1.00 . A A . 13 VAL HG23 1 1 10 3615 1 1 13 VAL N N 1.183 0.303 -0.181 1.00 . A A . 13 VAL N 1 1 10 3616 1 1 13 VAL O O 4.065 1.016 -2.123 1.00 . A A . 13 VAL O 1 1 10 3617 1 1 14 LYS C C 4.190 3.859 -0.825 1.00 . A A . 14 LYS C 1 1 10 3618 1 1 14 LYS CA C 3.045 3.611 -1.773 1.00 . A A . 14 LYS CA 1 1 10 3619 1 1 14 LYS CB C 2.097 4.827 -1.675 1.00 . A A . 14 LYS CB 1 1 10 3620 1 1 14 LYS CD C 0.012 6.002 -2.562 1.00 . A A . 14 LYS CD 1 1 10 3621 1 1 14 LYS CE C -1.207 5.962 -3.496 1.00 . A A . 14 LYS CE 1 1 10 3622 1 1 14 LYS CG C 0.948 4.790 -2.692 1.00 . A A . 14 LYS CG 1 1 10 3623 1 1 14 LYS H H 1.485 2.421 -1.036 1.00 . A A . 14 LYS H 1 1 10 3624 1 1 14 LYS HA H 3.440 3.539 -2.777 1.00 . A A . 14 LYS HA 1 1 10 3625 1 1 14 LYS HB2 H 1.662 4.876 -0.653 1.00 . A A . 14 LYS HB2 1 1 10 3626 1 1 14 LYS HB3 H 2.673 5.764 -1.850 1.00 . A A . 14 LYS HB3 1 1 10 3627 1 1 14 LYS HD2 H -0.334 6.070 -1.507 1.00 . A A . 14 LYS HD2 1 1 10 3628 1 1 14 LYS HD3 H 0.598 6.921 -2.784 1.00 . A A . 14 LYS HD3 1 1 10 3629 1 1 14 LYS HE2 H -1.793 6.900 -3.400 1.00 . A A . 14 LYS HE2 1 1 10 3630 1 1 14 LYS HE3 H -0.885 5.837 -4.552 1.00 . A A . 14 LYS HE3 1 1 10 3631 1 1 14 LYS HG2 H 1.367 4.759 -3.722 1.00 . A A . 14 LYS HG2 1 1 10 3632 1 1 14 LYS HG3 H 0.361 3.863 -2.534 1.00 . A A . 14 LYS HG3 1 1 10 3633 1 1 14 LYS HZ1 H -1.596 3.940 -3.248 1.00 . A A . 14 LYS HZ1 1 1 10 3634 1 1 14 LYS HZ2 H -2.924 4.840 -3.808 1.00 . A A . 14 LYS HZ2 1 1 10 3635 1 1 14 LYS HZ3 H -2.450 4.948 -2.181 1.00 . A A . 14 LYS HZ3 1 1 10 3636 1 1 14 LYS N N 2.385 2.360 -1.454 1.00 . A A . 14 LYS N 1 1 10 3637 1 1 14 LYS NZ N -2.111 4.838 -3.160 1.00 . A A . 14 LYS NZ 1 1 10 3638 1 1 14 LYS O O 5.260 4.299 -1.239 1.00 . A A . 14 LYS O 1 1 10 3639 1 1 15 VAL C C 5.986 2.663 1.459 1.00 . A A . 15 VAL C 1 1 10 3640 1 1 15 VAL CA C 4.931 3.742 1.545 1.00 . A A . 15 VAL CA 1 1 10 3641 1 1 15 VAL CB C 4.256 3.695 2.915 1.00 . A A . 15 VAL CB 1 1 10 3642 1 1 15 VAL CG1 C 5.271 4.006 4.037 1.00 . A A . 15 VAL CG1 1 1 10 3643 1 1 15 VAL CG2 C 3.089 4.708 2.932 1.00 . A A . 15 VAL CG2 1 1 10 3644 1 1 15 VAL H H 3.097 3.184 0.769 1.00 . A A . 15 VAL H 1 1 10 3645 1 1 15 VAL HA H 5.404 4.706 1.409 1.00 . A A . 15 VAL HA 1 1 10 3646 1 1 15 VAL HB H 3.828 2.683 3.094 1.00 . A A . 15 VAL HB 1 1 10 3647 1 1 15 VAL HG11 H 6.053 3.221 4.099 1.00 . A A . 15 VAL HG11 1 1 10 3648 1 1 15 VAL HG12 H 4.750 4.049 5.017 1.00 . A A . 15 VAL HG12 1 1 10 3649 1 1 15 VAL HG13 H 5.760 4.986 3.854 1.00 . A A . 15 VAL HG13 1 1 10 3650 1 1 15 VAL HG21 H 2.296 4.426 2.211 1.00 . A A . 15 VAL HG21 1 1 10 3651 1 1 15 VAL HG22 H 3.458 5.726 2.682 1.00 . A A . 15 VAL HG22 1 1 10 3652 1 1 15 VAL HG23 H 2.633 4.739 3.945 1.00 . A A . 15 VAL HG23 1 1 10 3653 1 1 15 VAL N N 3.975 3.556 0.477 1.00 . A A . 15 VAL N 1 1 10 3654 1 1 15 VAL O O 7.165 2.911 1.709 1.00 . A A . 15 VAL O 1 1 10 3655 1 1 16 PHE C C 7.401 0.383 -0.117 1.00 . A A . 16 PHE C 1 1 10 3656 1 1 16 PHE CA C 6.389 0.252 0.996 1.00 . A A . 16 PHE CA 1 1 10 3657 1 1 16 PHE CB C 5.515 -1.009 0.752 1.00 . A A . 16 PHE CB 1 1 10 3658 1 1 16 PHE CD1 C 6.617 -2.752 2.212 1.00 . A A . 16 PHE CD1 1 1 10 3659 1 1 16 PHE CD2 C 6.724 -3.023 -0.193 1.00 . A A . 16 PHE CD2 1 1 10 3660 1 1 16 PHE CE1 C 7.355 -3.931 2.378 1.00 . A A . 16 PHE CE1 1 1 10 3661 1 1 16 PHE CE2 C 7.461 -4.202 -0.029 1.00 . A A . 16 PHE CE2 1 1 10 3662 1 1 16 PHE CG C 6.295 -2.287 0.926 1.00 . A A . 16 PHE CG 1 1 10 3663 1 1 16 PHE CZ C 7.779 -4.656 1.257 1.00 . A A . 16 PHE CZ 1 1 10 3664 1 1 16 PHE H H 4.604 1.281 0.851 1.00 . A A . 16 PHE H 1 1 10 3665 1 1 16 PHE HA H 6.912 0.163 1.938 1.00 . A A . 16 PHE HA 1 1 10 3666 1 1 16 PHE HB2 H 4.687 -1.026 1.492 1.00 . A A . 16 PHE HB2 1 1 10 3667 1 1 16 PHE HB3 H 5.065 -0.990 -0.263 1.00 . A A . 16 PHE HB3 1 1 10 3668 1 1 16 PHE HD1 H 6.294 -2.196 3.080 1.00 . A A . 16 PHE HD1 1 1 10 3669 1 1 16 PHE HD2 H 6.488 -2.675 -1.188 1.00 . A A . 16 PHE HD2 1 1 10 3670 1 1 16 PHE HE1 H 7.598 -4.280 3.371 1.00 . A A . 16 PHE HE1 1 1 10 3671 1 1 16 PHE HE2 H 7.789 -4.760 -0.894 1.00 . A A . 16 PHE HE2 1 1 10 3672 1 1 16 PHE HZ H 8.348 -5.564 1.385 1.00 . A A . 16 PHE HZ 1 1 10 3673 1 1 16 PHE N N 5.564 1.434 1.073 1.00 . A A . 16 PHE N 1 1 10 3674 1 1 16 PHE O O 8.575 0.081 0.078 1.00 . A A . 16 PHE O 1 1 10 3675 1 1 17 ASN C C 8.668 2.137 -2.454 1.00 . A A . 17 ASN C 1 1 10 3676 1 1 17 ASN CA C 7.752 0.935 -2.508 1.00 . A A . 17 ASN CA 1 1 10 3677 1 1 17 ASN CB C 6.847 1.025 -3.770 1.00 . A A . 17 ASN CB 1 1 10 3678 1 1 17 ASN CG C 7.625 0.735 -5.063 1.00 . A A . 17 ASN CG 1 1 10 3679 1 1 17 ASN H H 5.998 1.115 -1.420 1.00 . A A . 17 ASN H 1 1 10 3680 1 1 17 ASN HA H 8.355 0.039 -2.559 1.00 . A A . 17 ASN HA 1 1 10 3681 1 1 17 ASN HB2 H 6.036 0.270 -3.679 1.00 . A A . 17 ASN HB2 1 1 10 3682 1 1 17 ASN HB3 H 6.373 2.027 -3.838 1.00 . A A . 17 ASN HB3 1 1 10 3683 1 1 17 ASN HD21 H 7.590 -1.282 -4.665 1.00 . A A . 17 ASN HD21 1 1 10 3684 1 1 17 ASN HD22 H 8.426 -0.840 -6.119 1.00 . A A . 17 ASN HD22 1 1 10 3685 1 1 17 ASN N N 6.953 0.847 -1.308 1.00 . A A . 17 ASN N 1 1 10 3686 1 1 17 ASN ND2 N 7.914 -0.580 -5.300 1.00 . A A . 17 ASN ND2 1 1 10 3687 1 1 17 ASN O O 9.655 2.196 -3.182 1.00 . A A . 17 ASN O 1 1 10 3688 1 1 17 ASN OD1 O 7.955 1.653 -5.823 1.00 . A A . 17 ASN OD1 1 1 10 3689 1 1 18 HIS C C 10.418 3.921 -0.567 1.00 . A A . 18 HIS C 1 1 10 3690 1 1 18 HIS CA C 9.192 4.289 -1.365 1.00 . A A . 18 HIS CA 1 1 10 3691 1 1 18 HIS CB C 8.434 5.413 -0.627 1.00 . A A . 18 HIS CB 1 1 10 3692 1 1 18 HIS CD2 C 10.019 7.121 0.497 1.00 . A A . 18 HIS CD2 1 1 10 3693 1 1 18 HIS CE1 C 10.210 8.570 -1.064 1.00 . A A . 18 HIS CE1 1 1 10 3694 1 1 18 HIS CG C 9.229 6.685 -0.519 1.00 . A A . 18 HIS CG 1 1 10 3695 1 1 18 HIS H H 7.554 3.066 -0.998 1.00 . A A . 18 HIS H 1 1 10 3696 1 1 18 HIS HA H 9.507 4.665 -2.326 1.00 . A A . 18 HIS HA 1 1 10 3697 1 1 18 HIS HB2 H 7.496 5.640 -1.178 1.00 . A A . 18 HIS HB2 1 1 10 3698 1 1 18 HIS HB3 H 8.149 5.076 0.393 1.00 . A A . 18 HIS HB3 1 1 10 3699 1 1 18 HIS HD1 H 8.916 7.581 -2.422 1.00 . A A . 18 HIS HD1 1 1 10 3700 1 1 18 HIS HD2 H 10.223 6.647 1.447 1.00 . A A . 18 HIS HD2 1 1 10 3701 1 1 18 HIS HE1 H 10.498 9.437 -1.654 1.00 . A A . 18 HIS HE1 1 1 10 3702 1 1 18 HIS N N 8.369 3.119 -1.570 1.00 . A A . 18 HIS N 1 1 10 3703 1 1 18 HIS ND1 N 9.360 7.617 -1.525 1.00 . A A . 18 HIS ND1 1 1 10 3704 1 1 18 HIS NE2 N 10.637 8.311 0.158 1.00 . A A . 18 HIS NE2 1 1 10 3705 1 1 18 HIS O O 11.530 4.320 -0.912 1.00 . A A . 18 HIS O 1 1 10 3706 1 1 19 GLY C C 12.127 1.633 0.874 1.00 . A A . 19 GLY C 1 1 10 3707 1 1 19 GLY CA C 11.287 2.751 1.428 1.00 . A A . 19 GLY CA 1 1 10 3708 1 1 19 GLY H H 9.321 2.804 0.762 1.00 . A A . 19 GLY H 1 1 10 3709 1 1 19 GLY HA2 H 11.921 3.609 1.600 1.00 . A A . 19 GLY HA2 1 1 10 3710 1 1 19 GLY HA3 H 10.805 2.392 2.325 1.00 . A A . 19 GLY HA3 1 1 10 3711 1 1 19 GLY N N 10.230 3.134 0.519 1.00 . A A . 19 GLY N 1 1 10 3712 1 1 19 GLY O O 13.281 1.470 1.263 1.00 . A A . 19 GLY O 1 1 10 3713 1 1 20 GLU C C 13.062 0.302 -1.828 1.00 . A A . 20 GLU C 1 1 10 3714 1 1 20 GLU CA C 12.214 -0.260 -0.721 1.00 . A A . 20 GLU CA 1 1 10 3715 1 1 20 GLU CB C 11.182 -1.248 -1.322 1.00 . A A . 20 GLU CB 1 1 10 3716 1 1 20 GLU CD C 10.699 -3.380 -2.604 1.00 . A A . 20 GLU CD 1 1 10 3717 1 1 20 GLU CG C 11.791 -2.473 -2.032 1.00 . A A . 20 GLU CG 1 1 10 3718 1 1 20 GLU H H 10.611 0.995 -0.349 1.00 . A A . 20 GLU H 1 1 10 3719 1 1 20 GLU HA H 12.844 -0.775 -0.009 1.00 . A A . 20 GLU HA 1 1 10 3720 1 1 20 GLU HB2 H 10.544 -1.615 -0.486 1.00 . A A . 20 GLU HB2 1 1 10 3721 1 1 20 GLU HB3 H 10.520 -0.700 -2.028 1.00 . A A . 20 GLU HB3 1 1 10 3722 1 1 20 GLU HG2 H 12.449 -2.144 -2.864 1.00 . A A . 20 GLU HG2 1 1 10 3723 1 1 20 GLU HG3 H 12.402 -3.051 -1.305 1.00 . A A . 20 GLU HG3 1 1 10 3724 1 1 20 GLU N N 11.553 0.840 -0.060 1.00 . A A . 20 GLU N 1 1 10 3725 1 1 20 GLU O O 14.271 0.075 -1.866 1.00 . A A . 20 GLU O 1 1 10 3726 1 1 20 GLU OE1 O 9.494 -3.026 -2.506 1.00 . A A . 20 GLU OE1 1 1 10 3727 1 1 20 GLU OE2 O 11.068 -4.450 -3.158 1.00 . A A . 20 GLU OE2 1 1 10 3728 1 1 21 HIS C C 13.306 0.722 -4.995 1.00 . A A . 21 HIS C 1 1 10 3729 1 1 21 HIS CA C 12.943 1.703 -3.910 1.00 . A A . 21 HIS CA 1 1 10 3730 1 1 21 HIS CB C 14.075 2.710 -3.605 1.00 . A A . 21 HIS CB 1 1 10 3731 1 1 21 HIS CD2 C 13.702 4.289 -5.658 1.00 . A A . 21 HIS CD2 1 1 10 3732 1 1 21 HIS CE1 C 15.720 4.901 -6.016 1.00 . A A . 21 HIS CE1 1 1 10 3733 1 1 21 HIS CG C 14.463 3.628 -4.739 1.00 . A A . 21 HIS CG 1 1 10 3734 1 1 21 HIS H H 11.442 1.258 -2.608 1.00 . A A . 21 HIS H 1 1 10 3735 1 1 21 HIS HA H 12.108 2.277 -4.282 1.00 . A A . 21 HIS HA 1 1 10 3736 1 1 21 HIS HB2 H 13.727 3.338 -2.757 1.00 . A A . 21 HIS HB2 1 1 10 3737 1 1 21 HIS HB3 H 14.971 2.148 -3.267 1.00 . A A . 21 HIS HB3 1 1 10 3738 1 1 21 HIS HD1 H 16.568 3.744 -4.455 1.00 . A A . 21 HIS HD1 1 1 10 3739 1 1 21 HIS HD2 H 12.632 4.285 -5.816 1.00 . A A . 21 HIS HD2 1 1 10 3740 1 1 21 HIS HE1 H 16.613 5.376 -6.421 1.00 . A A . 21 HIS HE1 1 1 10 3741 1 1 21 HIS N N 12.407 1.060 -2.740 1.00 . A A . 21 HIS N 1 1 10 3742 1 1 21 HIS ND1 N 15.760 4.035 -4.972 1.00 . A A . 21 HIS ND1 1 1 10 3743 1 1 21 HIS NE2 N 14.495 5.086 -6.465 1.00 . A A . 21 HIS NE2 1 1 10 3744 1 1 21 HIS O O 13.754 -0.395 -4.741 1.00 . A A . 21 HIS O 1 1 10 3745 1 1 22 ILE C C 14.638 0.656 -7.957 1.00 . A A . 22 ILE C 1 1 10 3746 1 1 22 ILE CA C 13.273 0.329 -7.436 1.00 . A A . 22 ILE CA 1 1 10 3747 1 1 22 ILE CB C 12.199 0.567 -8.498 1.00 . A A . 22 ILE CB 1 1 10 3748 1 1 22 ILE CD1 C 9.632 0.582 -8.850 1.00 . A A . 22 ILE CD1 1 1 10 3749 1 1 22 ILE CG1 C 10.794 0.317 -7.886 1.00 . A A . 22 ILE CG1 1 1 10 3750 1 1 22 ILE CG2 C 12.471 -0.342 -9.720 1.00 . A A . 22 ILE CG2 1 1 10 3751 1 1 22 ILE H H 12.733 2.061 -6.430 1.00 . A A . 22 ILE H 1 1 10 3752 1 1 22 ILE HA H 13.268 -0.703 -7.157 1.00 . A A . 22 ILE HA 1 1 10 3753 1 1 22 ILE HB H 12.232 1.627 -8.834 1.00 . A A . 22 ILE HB 1 1 10 3754 1 1 22 ILE HD11 H 9.689 1.617 -9.248 1.00 . A A . 22 ILE HD11 1 1 10 3755 1 1 22 ILE HD12 H 8.662 0.460 -8.321 1.00 . A A . 22 ILE HD12 1 1 10 3756 1 1 22 ILE HD13 H 9.651 -0.131 -9.702 1.00 . A A . 22 ILE HD13 1 1 10 3757 1 1 22 ILE HG12 H 10.738 -0.735 -7.530 1.00 . A A . 22 ILE HG12 1 1 10 3758 1 1 22 ILE HG13 H 10.651 0.981 -7.005 1.00 . A A . 22 ILE HG13 1 1 10 3759 1 1 22 ILE HG21 H 11.705 -0.182 -10.507 1.00 . A A . 22 ILE HG21 1 1 10 3760 1 1 22 ILE HG22 H 12.447 -1.411 -9.417 1.00 . A A . 22 ILE HG22 1 1 10 3761 1 1 22 ILE HG23 H 13.460 -0.125 -10.173 1.00 . A A . 22 ILE HG23 1 1 10 3762 1 1 22 ILE N N 13.079 1.142 -6.258 1.00 . A A . 22 ILE N 1 1 10 3763 1 1 22 ILE O O 15.484 -0.221 -8.127 1.00 . A A . 22 ILE O 1 1 10 3764 1 1 23 HIS C C 16.219 2.252 -10.173 1.00 . A A . 23 HIS C 1 1 10 3765 1 1 23 HIS CA C 16.045 2.581 -8.708 1.00 . A A . 23 HIS CA 1 1 10 3766 1 1 23 HIS CB C 17.316 2.286 -7.861 1.00 . A A . 23 HIS CB 1 1 10 3767 1 1 23 HIS CD2 C 18.451 4.546 -8.485 1.00 . A A . 23 HIS CD2 1 1 10 3768 1 1 23 HIS CE1 C 20.499 4.052 -8.115 1.00 . A A . 23 HIS CE1 1 1 10 3769 1 1 23 HIS CG C 18.457 3.248 -8.074 1.00 . A A . 23 HIS CG 1 1 10 3770 1 1 23 HIS H H 14.077 2.570 -8.013 1.00 . A A . 23 HIS H 1 1 10 3771 1 1 23 HIS HA H 15.850 3.641 -8.642 1.00 . A A . 23 HIS HA 1 1 10 3772 1 1 23 HIS HB2 H 17.041 2.345 -6.785 1.00 . A A . 23 HIS HB2 1 1 10 3773 1 1 23 HIS HB3 H 17.663 1.248 -8.061 1.00 . A A . 23 HIS HB3 1 1 10 3774 1 1 23 HIS HD1 H 20.125 2.056 -7.511 1.00 . A A . 23 HIS HD1 1 1 10 3775 1 1 23 HIS HD2 H 17.621 5.183 -8.766 1.00 . A A . 23 HIS HD2 1 1 10 3776 1 1 23 HIS HE1 H 21.583 4.093 -8.015 1.00 . A A . 23 HIS HE1 1 1 10 3777 1 1 23 HIS N N 14.840 1.964 -8.204 1.00 . A A . 23 HIS N 1 1 10 3778 1 1 23 HIS ND1 N 19.777 2.938 -7.833 1.00 . A A . 23 HIS ND1 1 1 10 3779 1 1 23 HIS NE2 N 19.738 5.052 -8.515 1.00 . A A . 23 HIS NE2 1 1 10 3780 1 1 23 HIS O O 15.244 1.986 -10.875 1.00 . A A . 23 HIS O 1 1 10 3781 1 1 24 HIS C C 18.103 0.476 -12.103 1.00 . A A . 24 HIS C 1 1 10 3782 1 1 24 HIS CA C 17.814 1.989 -12.032 1.00 . A A . 24 HIS CA 1 1 10 3783 1 1 24 HIS CB C 19.065 2.775 -12.492 1.00 . A A . 24 HIS CB 1 1 10 3784 1 1 24 HIS CD2 C 19.123 3.433 -15.001 1.00 . A A . 24 HIS CD2 1 1 10 3785 1 1 24 HIS CE1 C 20.147 1.746 -15.828 1.00 . A A . 24 HIS CE1 1 1 10 3786 1 1 24 HIS CG C 19.398 2.610 -13.952 1.00 . A A . 24 HIS CG 1 1 10 3787 1 1 24 HIS H H 18.252 2.504 -10.078 1.00 . A A . 24 HIS H 1 1 10 3788 1 1 24 HIS HA H 16.980 2.253 -12.670 1.00 . A A . 24 HIS HA 1 1 10 3789 1 1 24 HIS HB2 H 18.872 3.857 -12.320 1.00 . A A . 24 HIS HB2 1 1 10 3790 1 1 24 HIS HB3 H 19.945 2.493 -11.875 1.00 . A A . 24 HIS HB3 1 1 10 3791 1 1 24 HIS HD1 H 20.395 0.731 -13.983 1.00 . A A . 24 HIS HD1 1 1 10 3792 1 1 24 HIS HD2 H 18.614 4.388 -15.012 1.00 . A A . 24 HIS HD2 1 1 10 3793 1 1 24 HIS HE1 H 20.625 1.046 -16.510 1.00 . A A . 24 HIS HE1 1 1 10 3794 1 1 24 HIS N N 17.479 2.280 -10.664 1.00 . A A . 24 HIS N 1 1 10 3795 1 1 24 HIS ND1 N 20.057 1.525 -14.492 1.00 . A A . 24 HIS ND1 1 1 10 3796 1 1 24 HIS NE2 N 19.595 2.891 -16.183 1.00 . A A . 24 HIS NE2 1 1 10 3797 1 1 24 HIS O O 19.015 -0.019 -11.432 1.00 . A A . 24 HIS O 1 1 10 3798 1 1 25 NH2 HN1 H 17.436 -1.243 -13.017 1.00 . A A . 25 NH2 HN1 1 1 10 3799 1 1 25 NH2 HN2 H 16.572 0.195 -13.450 1.00 . A A . 25 NH2 HN2 1 1 10 3800 1 1 25 NH2 N N 17.299 -0.257 -12.932 1.00 . A A . 25 NH2 N 1 1 11 3801 1 1 1 ACE C C -11.700 -1.518 -9.914 1.00 . A A . 1 ACE C 1 1 11 3802 1 1 1 ACE CH3 C -10.482 -0.712 -10.240 1.00 . A A . 1 ACE CH3 1 1 11 3803 1 1 1 ACE H1 H -10.683 0.372 -10.109 1.00 . A A . 1 ACE H1 1 1 11 3804 1 1 1 ACE H2 H -9.646 -0.995 -9.562 1.00 . A A . 1 ACE H2 1 1 11 3805 1 1 1 ACE H3 H -10.160 -0.897 -11.287 1.00 . A A . 1 ACE H3 1 1 11 3806 1 1 1 ACE O O -11.639 -2.392 -9.051 1.00 . A A . 1 ACE O 1 1 11 3807 1 1 2 PHE C C -13.487 0.980 -10.977 1.00 . A A . 2 PHE C 1 1 11 3808 1 1 2 PHE CA C -13.063 -0.305 -11.639 1.00 . A A . 2 PHE CA 1 1 11 3809 1 1 2 PHE CB C -14.134 -0.808 -12.651 1.00 . A A . 2 PHE CB 1 1 11 3810 1 1 2 PHE CD1 C -13.276 0.622 -14.577 1.00 . A A . 2 PHE CD1 1 1 11 3811 1 1 2 PHE CD2 C -15.662 0.508 -14.178 1.00 . A A . 2 PHE CD2 1 1 11 3812 1 1 2 PHE CE1 C -13.498 1.490 -15.653 1.00 . A A . 2 PHE CE1 1 1 11 3813 1 1 2 PHE CE2 C -15.885 1.374 -15.255 1.00 . A A . 2 PHE CE2 1 1 11 3814 1 1 2 PHE CG C -14.355 0.129 -13.819 1.00 . A A . 2 PHE CG 1 1 11 3815 1 1 2 PHE CZ C -14.803 1.868 -15.991 1.00 . A A . 2 PHE CZ 1 1 11 3816 1 1 2 PHE H H -13.673 -1.794 -10.352 1.00 . A A . 2 PHE H 1 1 11 3817 1 1 2 PHE HA H -12.131 -0.143 -12.159 1.00 . A A . 2 PHE HA 1 1 11 3818 1 1 2 PHE HB2 H -13.795 -1.777 -13.078 1.00 . A A . 2 PHE HB2 1 1 11 3819 1 1 2 PHE HB3 H -15.103 -0.985 -12.136 1.00 . A A . 2 PHE HB3 1 1 11 3820 1 1 2 PHE HD1 H -12.264 0.334 -14.337 1.00 . A A . 2 PHE HD1 1 1 11 3821 1 1 2 PHE HD2 H -16.502 0.130 -13.616 1.00 . A A . 2 PHE HD2 1 1 11 3822 1 1 2 PHE HE1 H -12.663 1.867 -16.225 1.00 . A A . 2 PHE HE1 1 1 11 3823 1 1 2 PHE HE2 H -16.893 1.662 -15.515 1.00 . A A . 2 PHE HE2 1 1 11 3824 1 1 2 PHE HZ H -14.975 2.538 -16.821 1.00 . A A . 2 PHE HZ 1 1 11 3825 1 1 2 PHE N N -12.857 -1.269 -10.581 1.00 . A A . 2 PHE N 1 1 11 3826 1 1 2 PHE O O -12.727 1.946 -10.943 1.00 . A A . 2 PHE O 1 1 11 3827 1 1 3 GLU C C -14.892 1.893 -8.177 1.00 . A A . 3 GLU C 1 1 11 3828 1 1 3 GLU CA C -15.234 2.100 -9.632 1.00 . A A . 3 GLU CA 1 1 11 3829 1 1 3 GLU CB C -16.772 2.222 -9.751 1.00 . A A . 3 GLU CB 1 1 11 3830 1 1 3 GLU CD C -16.690 3.736 -11.765 1.00 . A A . 3 GLU CD 1 1 11 3831 1 1 3 GLU CG C -17.270 2.444 -11.192 1.00 . A A . 3 GLU CG 1 1 11 3832 1 1 3 GLU H H -15.329 0.216 -10.497 1.00 . A A . 3 GLU H 1 1 11 3833 1 1 3 GLU HA H -14.771 3.020 -9.962 1.00 . A A . 3 GLU HA 1 1 11 3834 1 1 3 GLU HB2 H -17.241 1.287 -9.370 1.00 . A A . 3 GLU HB2 1 1 11 3835 1 1 3 GLU HB3 H -17.131 3.063 -9.118 1.00 . A A . 3 GLU HB3 1 1 11 3836 1 1 3 GLU HG2 H -16.975 1.583 -11.827 1.00 . A A . 3 GLU HG2 1 1 11 3837 1 1 3 GLU HG3 H -18.379 2.511 -11.194 1.00 . A A . 3 GLU HG3 1 1 11 3838 1 1 3 GLU N N -14.716 0.997 -10.410 1.00 . A A . 3 GLU N 1 1 11 3839 1 1 3 GLU O O -15.071 2.796 -7.360 1.00 . A A . 3 GLU O 1 1 11 3840 1 1 3 GLU OE1 O -17.008 4.824 -11.213 1.00 . A A . 3 GLU OE1 1 1 11 3841 1 1 3 GLU OE2 O -15.921 3.655 -12.759 1.00 . A A . 3 GLU OE2 1 1 11 3842 1 1 4 ASP C C -12.496 0.180 -6.526 1.00 . A A . 4 ASP C 1 1 11 3843 1 1 4 ASP CA C -13.996 0.286 -6.506 1.00 . A A . 4 ASP CA 1 1 11 3844 1 1 4 ASP CB C -14.678 -1.039 -6.039 1.00 . A A . 4 ASP CB 1 1 11 3845 1 1 4 ASP CG C -14.576 -2.199 -7.043 1.00 . A A . 4 ASP CG 1 1 11 3846 1 1 4 ASP H H -14.197 -0.004 -8.524 1.00 . A A . 4 ASP H 1 1 11 3847 1 1 4 ASP HA H -14.260 1.063 -5.802 1.00 . A A . 4 ASP HA 1 1 11 3848 1 1 4 ASP HB2 H -14.246 -1.353 -5.065 1.00 . A A . 4 ASP HB2 1 1 11 3849 1 1 4 ASP HB3 H -15.758 -0.833 -5.872 1.00 . A A . 4 ASP HB3 1 1 11 3850 1 1 4 ASP N N -14.378 0.689 -7.833 1.00 . A A . 4 ASP N 1 1 11 3851 1 1 4 ASP O O -11.918 -0.895 -6.368 1.00 . A A . 4 ASP O 1 1 11 3852 1 1 4 ASP OD1 O -15.188 -2.105 -8.141 1.00 . A A . 4 ASP OD1 1 1 11 3853 1 1 4 ASP OD2 O -13.897 -3.208 -6.709 1.00 . A A . 4 ASP OD2 1 1 11 3854 1 1 5 LEU C C -9.742 1.190 -5.503 1.00 . A A . 5 LEU C 1 1 11 3855 1 1 5 LEU CA C -10.391 1.434 -6.848 1.00 . A A . 5 LEU CA 1 1 11 3856 1 1 5 LEU CB C -9.870 2.825 -7.306 1.00 . A A . 5 LEU CB 1 1 11 3857 1 1 5 LEU CD1 C -11.731 4.069 -8.582 1.00 . A A . 5 LEU CD1 1 1 11 3858 1 1 5 LEU CD2 C -9.337 4.190 -9.385 1.00 . A A . 5 LEU CD2 1 1 11 3859 1 1 5 LEU CG C -10.391 3.313 -8.679 1.00 . A A . 5 LEU CG 1 1 11 3860 1 1 5 LEU H H -12.330 2.188 -6.865 1.00 . A A . 5 LEU H 1 1 11 3861 1 1 5 LEU HA H -10.089 0.700 -7.578 1.00 . A A . 5 LEU HA 1 1 11 3862 1 1 5 LEU HB2 H -10.110 3.595 -6.538 1.00 . A A . 5 LEU HB2 1 1 11 3863 1 1 5 LEU HB3 H -8.759 2.759 -7.375 1.00 . A A . 5 LEU HB3 1 1 11 3864 1 1 5 LEU HD11 H -11.618 4.974 -7.950 1.00 . A A . 5 LEU HD11 1 1 11 3865 1 1 5 LEU HD12 H -12.519 3.428 -8.142 1.00 . A A . 5 LEU HD12 1 1 11 3866 1 1 5 LEU HD13 H -12.066 4.384 -9.594 1.00 . A A . 5 LEU HD13 1 1 11 3867 1 1 5 LEU HD21 H -8.388 3.627 -9.512 1.00 . A A . 5 LEU HD21 1 1 11 3868 1 1 5 LEU HD22 H -9.131 5.102 -8.787 1.00 . A A . 5 LEU HD22 1 1 11 3869 1 1 5 LEU HD23 H -9.703 4.497 -10.387 1.00 . A A . 5 LEU HD23 1 1 11 3870 1 1 5 LEU HG H -10.545 2.416 -9.319 1.00 . A A . 5 LEU HG 1 1 11 3871 1 1 5 LEU N N -11.827 1.340 -6.726 1.00 . A A . 5 LEU N 1 1 11 3872 1 1 5 LEU O O -10.290 1.639 -4.496 1.00 . A A . 5 LEU O 1 1 11 3873 1 1 6 PRO C C -7.140 1.896 -4.015 1.00 . A A . 6 PRO C 1 1 11 3874 1 1 6 PRO CA C -7.748 0.527 -4.234 1.00 . A A . 6 PRO CA 1 1 11 3875 1 1 6 PRO CB C -6.671 -0.537 -4.519 1.00 . A A . 6 PRO CB 1 1 11 3876 1 1 6 PRO CD C -8.167 -0.498 -6.377 1.00 . A A . 6 PRO CD 1 1 11 3877 1 1 6 PRO CG C -7.327 -1.465 -5.545 1.00 . A A . 6 PRO CG 1 1 11 3878 1 1 6 PRO HA H -8.347 0.260 -3.374 1.00 . A A . 6 PRO HA 1 1 11 3879 1 1 6 PRO HB2 H -5.763 -0.106 -4.992 1.00 . A A . 6 PRO HB2 1 1 11 3880 1 1 6 PRO HB3 H -6.376 -1.078 -3.598 1.00 . A A . 6 PRO HB3 1 1 11 3881 1 1 6 PRO HD2 H -7.554 -0.013 -7.165 1.00 . A A . 6 PRO HD2 1 1 11 3882 1 1 6 PRO HD3 H -9.037 -1.023 -6.828 1.00 . A A . 6 PRO HD3 1 1 11 3883 1 1 6 PRO HG2 H -6.586 -2.020 -6.153 1.00 . A A . 6 PRO HG2 1 1 11 3884 1 1 6 PRO HG3 H -7.997 -2.182 -5.022 1.00 . A A . 6 PRO HG3 1 1 11 3885 1 1 6 PRO N N -8.587 0.529 -5.422 1.00 . A A . 6 PRO N 1 1 11 3886 1 1 6 PRO O O -6.110 2.205 -4.612 1.00 . A A . 6 PRO O 1 1 11 3887 1 1 7 ASN C C -6.506 3.860 -1.546 1.00 . A A . 7 ASN C 1 1 11 3888 1 1 7 ASN CA C -7.297 4.040 -2.804 1.00 . A A . 7 ASN CA 1 1 11 3889 1 1 7 ASN CB C -8.468 5.040 -2.586 1.00 . A A . 7 ASN CB 1 1 11 3890 1 1 7 ASN CG C -7.947 6.470 -2.364 1.00 . A A . 7 ASN CG 1 1 11 3891 1 1 7 ASN H H -8.642 2.465 -2.746 1.00 . A A . 7 ASN H 1 1 11 3892 1 1 7 ASN HA H -6.641 4.399 -3.568 1.00 . A A . 7 ASN HA 1 1 11 3893 1 1 7 ASN HB2 H -9.095 5.049 -3.504 1.00 . A A . 7 ASN HB2 1 1 11 3894 1 1 7 ASN HB3 H -9.113 4.717 -1.745 1.00 . A A . 7 ASN HB3 1 1 11 3895 1 1 7 ASN HD21 H -8.560 6.443 -0.399 1.00 . A A . 7 ASN HD21 1 1 11 3896 1 1 7 ASN HD22 H -7.795 7.913 -0.907 1.00 . A A . 7 ASN HD22 1 1 11 3897 1 1 7 ASN N N -7.778 2.730 -3.165 1.00 . A A . 7 ASN N 1 1 11 3898 1 1 7 ASN ND2 N -8.117 6.988 -1.111 1.00 . A A . 7 ASN ND2 1 1 11 3899 1 1 7 ASN O O -5.331 4.208 -1.458 1.00 . A A . 7 ASN O 1 1 11 3900 1 1 7 ASN OD1 O -7.405 7.087 -3.288 1.00 . A A . 7 ASN OD1 1 1 11 3901 1 1 8 PHE C C -5.993 1.639 0.777 1.00 . A A . 8 PHE C 1 1 11 3902 1 1 8 PHE CA C -6.683 2.978 0.766 1.00 . A A . 8 PHE CA 1 1 11 3903 1 1 8 PHE CB C -7.812 2.938 1.825 1.00 . A A . 8 PHE CB 1 1 11 3904 1 1 8 PHE CD1 C -7.842 5.382 2.467 1.00 . A A . 8 PHE CD1 1 1 11 3905 1 1 8 PHE CD2 C -9.790 4.454 1.365 1.00 . A A . 8 PHE CD2 1 1 11 3906 1 1 8 PHE CE1 C -8.469 6.633 2.522 1.00 . A A . 8 PHE CE1 1 1 11 3907 1 1 8 PHE CE2 C -10.418 5.704 1.418 1.00 . A A . 8 PHE CE2 1 1 11 3908 1 1 8 PHE CG C -8.496 4.279 1.889 1.00 . A A . 8 PHE CG 1 1 11 3909 1 1 8 PHE CZ C -9.758 6.795 1.998 1.00 . A A . 8 PHE CZ 1 1 11 3910 1 1 8 PHE H H -8.128 3.006 -0.748 1.00 . A A . 8 PHE H 1 1 11 3911 1 1 8 PHE HA H -5.959 3.736 1.030 1.00 . A A . 8 PHE HA 1 1 11 3912 1 1 8 PHE HB2 H -8.565 2.163 1.566 1.00 . A A . 8 PHE HB2 1 1 11 3913 1 1 8 PHE HB3 H -7.402 2.721 2.834 1.00 . A A . 8 PHE HB3 1 1 11 3914 1 1 8 PHE HD1 H -6.848 5.265 2.872 1.00 . A A . 8 PHE HD1 1 1 11 3915 1 1 8 PHE HD2 H -10.303 3.618 0.912 1.00 . A A . 8 PHE HD2 1 1 11 3916 1 1 8 PHE HE1 H -7.958 7.474 2.968 1.00 . A A . 8 PHE HE1 1 1 11 3917 1 1 8 PHE HE2 H -11.410 5.828 1.010 1.00 . A A . 8 PHE HE2 1 1 11 3918 1 1 8 PHE HZ H -10.241 7.759 2.039 1.00 . A A . 8 PHE HZ 1 1 11 3919 1 1 8 PHE N N -7.188 3.264 -0.554 1.00 . A A . 8 PHE N 1 1 11 3920 1 1 8 PHE O O -5.384 1.264 1.777 1.00 . A A . 8 PHE O 1 1 11 3921 1 1 9 GLY C C -4.029 -0.158 -1.083 1.00 . A A . 9 GLY C 1 1 11 3922 1 1 9 GLY CA C -5.399 -0.377 -0.514 1.00 . A A . 9 GLY CA 1 1 11 3923 1 1 9 GLY H H -6.561 1.217 -1.150 1.00 . A A . 9 GLY H 1 1 11 3924 1 1 9 GLY HA2 H -5.311 -0.867 0.445 1.00 . A A . 9 GLY HA2 1 1 11 3925 1 1 9 GLY HA3 H -5.978 -0.940 -1.231 1.00 . A A . 9 GLY HA3 1 1 11 3926 1 1 9 GLY N N -6.058 0.894 -0.352 1.00 . A A . 9 GLY N 1 1 11 3927 1 1 9 GLY O O -3.072 -0.810 -0.669 1.00 . A A . 9 GLY O 1 1 11 3928 1 1 10 HIS C C -1.772 1.944 -2.064 1.00 . A A . 10 HIS C 1 1 11 3929 1 1 10 HIS CA C -2.690 1.002 -2.800 1.00 . A A . 10 HIS CA 1 1 11 3930 1 1 10 HIS CB C -2.955 1.579 -4.212 1.00 . A A . 10 HIS CB 1 1 11 3931 1 1 10 HIS CD2 C -1.132 2.817 -5.586 1.00 . A A . 10 HIS CD2 1 1 11 3932 1 1 10 HIS CE1 C 0.130 1.174 -6.121 1.00 . A A . 10 HIS CE1 1 1 11 3933 1 1 10 HIS CG C -1.719 1.706 -5.063 1.00 . A A . 10 HIS CG 1 1 11 3934 1 1 10 HIS H H -4.697 1.305 -2.364 1.00 . A A . 10 HIS H 1 1 11 3935 1 1 10 HIS HA H -2.183 0.055 -2.915 1.00 . A A . 10 HIS HA 1 1 11 3936 1 1 10 HIS HB2 H -3.662 0.906 -4.742 1.00 . A A . 10 HIS HB2 1 1 11 3937 1 1 10 HIS HB3 H -3.439 2.576 -4.124 1.00 . A A . 10 HIS HB3 1 1 11 3938 1 1 10 HIS HD1 H -1.046 -0.309 -5.167 1.00 . A A . 10 HIS HD1 1 1 11 3939 1 1 10 HIS HD2 H -1.448 3.850 -5.536 1.00 . A A . 10 HIS HD2 1 1 11 3940 1 1 10 HIS HE1 H 0.937 0.564 -6.521 1.00 . A A . 10 HIS HE1 1 1 11 3941 1 1 10 HIS N N -3.912 0.769 -2.065 1.00 . A A . 10 HIS N 1 1 11 3942 1 1 10 HIS ND1 N -0.901 0.651 -5.411 1.00 . A A . 10 HIS ND1 1 1 11 3943 1 1 10 HIS NE2 N 0.034 2.483 -6.252 1.00 . A A . 10 HIS NE2 1 1 11 3944 1 1 10 HIS O O -0.584 2.004 -2.372 1.00 . A A . 10 HIS O 1 1 11 3945 1 1 11 ILE C C -0.567 2.876 0.663 1.00 . A A . 11 ILE C 1 1 11 3946 1 1 11 ILE CA C -1.486 3.626 -0.282 1.00 . A A . 11 ILE CA 1 1 11 3947 1 1 11 ILE CB C -2.345 4.654 0.453 1.00 . A A . 11 ILE CB 1 1 11 3948 1 1 11 ILE CD1 C -2.363 7.049 1.407 1.00 . A A . 11 ILE CD1 1 1 11 3949 1 1 11 ILE CG1 C -1.512 5.884 0.893 1.00 . A A . 11 ILE CG1 1 1 11 3950 1 1 11 ILE CG2 C -3.128 4.002 1.615 1.00 . A A . 11 ILE CG2 1 1 11 3951 1 1 11 ILE H H -3.244 2.636 -0.801 1.00 . A A . 11 ILE H 1 1 11 3952 1 1 11 ILE HA H -0.867 4.168 -0.985 1.00 . A A . 11 ILE HA 1 1 11 3953 1 1 11 ILE HB H -3.097 5.028 -0.282 1.00 . A A . 11 ILE HB 1 1 11 3954 1 1 11 ILE HD11 H -3.098 7.361 0.635 1.00 . A A . 11 ILE HD11 1 1 11 3955 1 1 11 ILE HD12 H -1.715 7.919 1.649 1.00 . A A . 11 ILE HD12 1 1 11 3956 1 1 11 ILE HD13 H -2.914 6.760 2.326 1.00 . A A . 11 ILE HD13 1 1 11 3957 1 1 11 ILE HG12 H -0.798 5.580 1.689 1.00 . A A . 11 ILE HG12 1 1 11 3958 1 1 11 ILE HG13 H -0.920 6.239 0.021 1.00 . A A . 11 ILE HG13 1 1 11 3959 1 1 11 ILE HG21 H -3.639 3.084 1.264 1.00 . A A . 11 ILE HG21 1 1 11 3960 1 1 11 ILE HG22 H -3.898 4.700 2.005 1.00 . A A . 11 ILE HG22 1 1 11 3961 1 1 11 ILE HG23 H -2.447 3.732 2.449 1.00 . A A . 11 ILE HG23 1 1 11 3962 1 1 11 ILE N N -2.282 2.694 -1.055 1.00 . A A . 11 ILE N 1 1 11 3963 1 1 11 ILE O O 0.483 3.382 1.054 1.00 . A A . 11 ILE O 1 1 11 3964 1 1 12 GLN C C 0.995 0.160 1.085 1.00 . A A . 12 GLN C 1 1 11 3965 1 1 12 GLN CA C -0.181 0.718 1.844 1.00 . A A . 12 GLN CA 1 1 11 3966 1 1 12 GLN CB C -1.041 -0.473 2.320 1.00 . A A . 12 GLN CB 1 1 11 3967 1 1 12 GLN CD C -3.115 -1.259 3.504 1.00 . A A . 12 GLN CD 1 1 11 3968 1 1 12 GLN CG C -2.290 -0.031 3.102 1.00 . A A . 12 GLN CG 1 1 11 3969 1 1 12 GLN H H -1.792 1.234 0.657 1.00 . A A . 12 GLN H 1 1 11 3970 1 1 12 GLN HA H 0.179 1.274 2.699 1.00 . A A . 12 GLN HA 1 1 11 3971 1 1 12 GLN HB2 H -1.368 -1.066 1.436 1.00 . A A . 12 GLN HB2 1 1 11 3972 1 1 12 GLN HB3 H -0.422 -1.133 2.969 1.00 . A A . 12 GLN HB3 1 1 11 3973 1 1 12 GLN HE21 H -1.740 -1.766 4.948 1.00 . A A . 12 GLN HE21 1 1 11 3974 1 1 12 GLN HE22 H -3.099 -2.836 4.824 1.00 . A A . 12 GLN HE22 1 1 11 3975 1 1 12 GLN HG2 H -1.991 0.537 4.009 1.00 . A A . 12 GLN HG2 1 1 11 3976 1 1 12 GLN HG3 H -2.923 0.626 2.469 1.00 . A A . 12 GLN HG3 1 1 11 3977 1 1 12 GLN N N -0.938 1.616 1.002 1.00 . A A . 12 GLN N 1 1 11 3978 1 1 12 GLN NE2 N -2.606 -2.022 4.517 1.00 . A A . 12 GLN NE2 1 1 11 3979 1 1 12 GLN O O 2.039 -0.120 1.671 1.00 . A A . 12 GLN O 1 1 11 3980 1 1 12 GLN OE1 O -4.178 -1.517 2.927 1.00 . A A . 12 GLN OE1 1 1 11 3981 1 1 13 VAL C C 2.918 0.545 -1.351 1.00 . A A . 13 VAL C 1 1 11 3982 1 1 13 VAL CA C 1.855 -0.501 -1.155 1.00 . A A . 13 VAL CA 1 1 11 3983 1 1 13 VAL CB C 1.274 -0.917 -2.506 1.00 . A A . 13 VAL CB 1 1 11 3984 1 1 13 VAL CG1 C 2.359 -1.548 -3.409 1.00 . A A . 13 VAL CG1 1 1 11 3985 1 1 13 VAL CG2 C 0.114 -1.908 -2.266 1.00 . A A . 13 VAL CG2 1 1 11 3986 1 1 13 VAL H H -0.018 0.254 -0.694 1.00 . A A . 13 VAL H 1 1 11 3987 1 1 13 VAL HA H 2.312 -1.347 -0.679 1.00 . A A . 13 VAL HA 1 1 11 3988 1 1 13 VAL HB H 0.859 -0.026 -3.031 1.00 . A A . 13 VAL HB 1 1 11 3989 1 1 13 VAL HG11 H 3.137 -0.807 -3.686 1.00 . A A . 13 VAL HG11 1 1 11 3990 1 1 13 VAL HG12 H 1.896 -1.923 -4.347 1.00 . A A . 13 VAL HG12 1 1 11 3991 1 1 13 VAL HG13 H 2.844 -2.401 -2.890 1.00 . A A . 13 VAL HG13 1 1 11 3992 1 1 13 VAL HG21 H 0.471 -2.786 -1.688 1.00 . A A . 13 VAL HG21 1 1 11 3993 1 1 13 VAL HG22 H -0.286 -2.264 -3.239 1.00 . A A . 13 VAL HG22 1 1 11 3994 1 1 13 VAL HG23 H -0.717 -1.428 -1.711 1.00 . A A . 13 VAL HG23 1 1 11 3995 1 1 13 VAL N N 0.842 0.007 -0.254 1.00 . A A . 13 VAL N 1 1 11 3996 1 1 13 VAL O O 4.094 0.231 -1.514 1.00 . A A . 13 VAL O 1 1 11 3997 1 1 14 LYS C C 4.168 3.306 -0.255 1.00 . A A . 14 LYS C 1 1 11 3998 1 1 14 LYS CA C 3.341 2.988 -1.479 1.00 . A A . 14 LYS CA 1 1 11 3999 1 1 14 LYS CB C 2.519 4.246 -1.847 1.00 . A A . 14 LYS CB 1 1 11 4000 1 1 14 LYS CD C 0.935 5.311 -3.608 1.00 . A A . 14 LYS CD 1 1 11 4001 1 1 14 LYS CE C 1.579 6.668 -3.952 1.00 . A A . 14 LYS CE 1 1 11 4002 1 1 14 LYS CG C 1.912 4.173 -3.258 1.00 . A A . 14 LYS CG 1 1 11 4003 1 1 14 LYS H H 1.540 1.997 -1.105 1.00 . A A . 14 LYS H 1 1 11 4004 1 1 14 LYS HA H 4.021 2.781 -2.292 1.00 . A A . 14 LYS HA 1 1 11 4005 1 1 14 LYS HB2 H 1.704 4.381 -1.103 1.00 . A A . 14 LYS HB2 1 1 11 4006 1 1 14 LYS HB3 H 3.171 5.146 -1.812 1.00 . A A . 14 LYS HB3 1 1 11 4007 1 1 14 LYS HD2 H 0.381 4.985 -4.519 1.00 . A A . 14 LYS HD2 1 1 11 4008 1 1 14 LYS HD3 H 0.187 5.431 -2.795 1.00 . A A . 14 LYS HD3 1 1 11 4009 1 1 14 LYS HE2 H 2.414 6.530 -4.670 1.00 . A A . 14 LYS HE2 1 1 11 4010 1 1 14 LYS HE3 H 0.816 7.335 -4.408 1.00 . A A . 14 LYS HE3 1 1 11 4011 1 1 14 LYS HG2 H 2.730 4.146 -4.011 1.00 . A A . 14 LYS HG2 1 1 11 4012 1 1 14 LYS HG3 H 1.353 3.216 -3.346 1.00 . A A . 14 LYS HG3 1 1 11 4013 1 1 14 LYS HZ1 H 2.841 6.780 -2.311 1.00 . A A . 14 LYS HZ1 1 1 11 4014 1 1 14 LYS HZ2 H 1.338 7.539 -2.084 1.00 . A A . 14 LYS HZ2 1 1 11 4015 1 1 14 LYS HZ3 H 2.526 8.277 -3.048 1.00 . A A . 14 LYS HZ3 1 1 11 4016 1 1 14 LYS N N 2.502 1.827 -1.291 1.00 . A A . 14 LYS N 1 1 11 4017 1 1 14 LYS NZ N 2.110 7.369 -2.760 1.00 . A A . 14 LYS NZ 1 1 11 4018 1 1 14 LYS O O 4.960 4.243 -0.281 1.00 . A A . 14 LYS O 1 1 11 4019 1 1 15 VAL C C 6.152 1.871 1.718 1.00 . A A . 15 VAL C 1 1 11 4020 1 1 15 VAL CA C 4.895 2.648 2.003 1.00 . A A . 15 VAL CA 1 1 11 4021 1 1 15 VAL CB C 4.245 2.115 3.279 1.00 . A A . 15 VAL CB 1 1 11 4022 1 1 15 VAL CG1 C 5.188 2.298 4.490 1.00 . A A . 15 VAL CG1 1 1 11 4023 1 1 15 VAL CG2 C 2.911 2.855 3.504 1.00 . A A . 15 VAL CG2 1 1 11 4024 1 1 15 VAL H H 3.382 1.774 0.872 1.00 . A A . 15 VAL H 1 1 11 4025 1 1 15 VAL HA H 5.162 3.688 2.127 1.00 . A A . 15 VAL HA 1 1 11 4026 1 1 15 VAL HB H 4.020 1.030 3.169 1.00 . A A . 15 VAL HB 1 1 11 4027 1 1 15 VAL HG11 H 6.105 1.683 4.383 1.00 . A A . 15 VAL HG11 1 1 11 4028 1 1 15 VAL HG12 H 4.670 1.983 5.421 1.00 . A A . 15 VAL HG12 1 1 11 4029 1 1 15 VAL HG13 H 5.480 3.364 4.592 1.00 . A A . 15 VAL HG13 1 1 11 4030 1 1 15 VAL HG21 H 2.193 2.627 2.692 1.00 . A A . 15 VAL HG21 1 1 11 4031 1 1 15 VAL HG22 H 3.077 3.952 3.543 1.00 . A A . 15 VAL HG22 1 1 11 4032 1 1 15 VAL HG23 H 2.455 2.532 4.464 1.00 . A A . 15 VAL HG23 1 1 11 4033 1 1 15 VAL N N 4.042 2.521 0.841 1.00 . A A . 15 VAL N 1 1 11 4034 1 1 15 VAL O O 7.258 2.343 1.975 1.00 . A A . 15 VAL O 1 1 11 4035 1 1 16 PHE C C 7.797 0.175 -0.387 1.00 . A A . 16 PHE C 1 1 11 4036 1 1 16 PHE CA C 7.065 -0.259 0.854 1.00 . A A . 16 PHE CA 1 1 11 4037 1 1 16 PHE CB C 6.552 -1.701 0.607 1.00 . A A . 16 PHE CB 1 1 11 4038 1 1 16 PHE CD1 C 6.355 -2.350 3.047 1.00 . A A . 16 PHE CD1 1 1 11 4039 1 1 16 PHE CD2 C 4.373 -2.437 1.659 1.00 . A A . 16 PHE CD2 1 1 11 4040 1 1 16 PHE CE1 C 5.600 -2.764 4.151 1.00 . A A . 16 PHE CE1 1 1 11 4041 1 1 16 PHE CE2 C 3.616 -2.852 2.761 1.00 . A A . 16 PHE CE2 1 1 11 4042 1 1 16 PHE CG C 5.749 -2.177 1.790 1.00 . A A . 16 PHE CG 1 1 11 4043 1 1 16 PHE CZ C 4.230 -3.014 4.009 1.00 . A A . 16 PHE CZ 1 1 11 4044 1 1 16 PHE H H 5.078 0.315 0.932 1.00 . A A . 16 PHE H 1 1 11 4045 1 1 16 PHE HA H 7.758 -0.250 1.685 1.00 . A A . 16 PHE HA 1 1 11 4046 1 1 16 PHE HB2 H 5.906 -1.734 -0.297 1.00 . A A . 16 PHE HB2 1 1 11 4047 1 1 16 PHE HB3 H 7.404 -2.402 0.469 1.00 . A A . 16 PHE HB3 1 1 11 4048 1 1 16 PHE HD1 H 7.411 -2.156 3.168 1.00 . A A . 16 PHE HD1 1 1 11 4049 1 1 16 PHE HD2 H 3.892 -2.306 0.701 1.00 . A A . 16 PHE HD2 1 1 11 4050 1 1 16 PHE HE1 H 6.075 -2.890 5.114 1.00 . A A . 16 PHE HE1 1 1 11 4051 1 1 16 PHE HE2 H 2.558 -3.042 2.649 1.00 . A A . 16 PHE HE2 1 1 11 4052 1 1 16 PHE HZ H 3.647 -3.333 4.860 1.00 . A A . 16 PHE HZ 1 1 11 4053 1 1 16 PHE N N 5.989 0.656 1.150 1.00 . A A . 16 PHE N 1 1 11 4054 1 1 16 PHE O O 8.996 -0.063 -0.516 1.00 . A A . 16 PHE O 1 1 11 4055 1 1 17 ASN C C 8.422 2.468 -2.490 1.00 . A A . 17 ASN C 1 1 11 4056 1 1 17 ASN CA C 7.585 1.222 -2.621 1.00 . A A . 17 ASN CA 1 1 11 4057 1 1 17 ASN CB C 6.422 1.482 -3.620 1.00 . A A . 17 ASN CB 1 1 11 4058 1 1 17 ASN CG C 6.920 1.632 -5.066 1.00 . A A . 17 ASN CG 1 1 11 4059 1 1 17 ASN H H 6.109 1.023 -1.182 1.00 . A A . 17 ASN H 1 1 11 4060 1 1 17 ASN HA H 8.214 0.421 -2.983 1.00 . A A . 17 ASN HA 1 1 11 4061 1 1 17 ASN HB2 H 5.715 0.625 -3.578 1.00 . A A . 17 ASN HB2 1 1 11 4062 1 1 17 ASN HB3 H 5.866 2.398 -3.333 1.00 . A A . 17 ASN HB3 1 1 11 4063 1 1 17 ASN HD21 H 7.163 -0.403 -5.229 1.00 . A A . 17 ASN HD21 1 1 11 4064 1 1 17 ASN HD22 H 7.606 0.500 -6.641 1.00 . A A . 17 ASN HD22 1 1 11 4065 1 1 17 ASN N N 7.076 0.827 -1.330 1.00 . A A . 17 ASN N 1 1 11 4066 1 1 17 ASN ND2 N 7.266 0.472 -5.701 1.00 . A A . 17 ASN ND2 1 1 11 4067 1 1 17 ASN O O 9.483 2.562 -3.104 1.00 . A A . 17 ASN O 1 1 11 4068 1 1 17 ASN OD1 O 6.989 2.748 -5.595 1.00 . A A . 17 ASN OD1 1 1 11 4069 1 1 18 HIS C C 9.693 4.621 -0.472 1.00 . A A . 18 HIS C 1 1 11 4070 1 1 18 HIS CA C 8.629 4.728 -1.535 1.00 . A A . 18 HIS CA 1 1 11 4071 1 1 18 HIS CB C 7.665 5.881 -1.166 1.00 . A A . 18 HIS CB 1 1 11 4072 1 1 18 HIS CD2 C 6.466 7.493 -2.810 1.00 . A A . 18 HIS CD2 1 1 11 4073 1 1 18 HIS CE1 C 5.208 6.129 -3.873 1.00 . A A . 18 HIS CE1 1 1 11 4074 1 1 18 HIS CG C 6.717 6.263 -2.281 1.00 . A A . 18 HIS CG 1 1 11 4075 1 1 18 HIS H H 7.118 3.350 -1.148 1.00 . A A . 18 HIS H 1 1 11 4076 1 1 18 HIS HA H 9.106 4.981 -2.470 1.00 . A A . 18 HIS HA 1 1 11 4077 1 1 18 HIS HB2 H 7.080 5.607 -0.263 1.00 . A A . 18 HIS HB2 1 1 11 4078 1 1 18 HIS HB3 H 8.250 6.795 -0.925 1.00 . A A . 18 HIS HB3 1 1 11 4079 1 1 18 HIS HD1 H 5.847 4.401 -2.828 1.00 . A A . 18 HIS HD1 1 1 11 4080 1 1 18 HIS HD2 H 6.893 8.453 -2.551 1.00 . A A . 18 HIS HD2 1 1 11 4081 1 1 18 HIS HE1 H 4.482 5.692 -4.558 1.00 . A A . 18 HIS HE1 1 1 11 4082 1 1 18 HIS N N 7.958 3.452 -1.680 1.00 . A A . 18 HIS N 1 1 11 4083 1 1 18 HIS ND1 N 5.901 5.391 -2.973 1.00 . A A . 18 HIS ND1 1 1 11 4084 1 1 18 HIS NE2 N 5.513 7.410 -3.810 1.00 . A A . 18 HIS NE2 1 1 11 4085 1 1 18 HIS O O 10.555 5.493 -0.364 1.00 . A A . 18 HIS O 1 1 11 4086 1 1 19 GLY C C 11.828 2.499 0.674 1.00 . A A . 19 GLY C 1 1 11 4087 1 1 19 GLY CA C 10.672 3.217 1.308 1.00 . A A . 19 GLY CA 1 1 11 4088 1 1 19 GLY H H 8.957 2.832 0.214 1.00 . A A . 19 GLY H 1 1 11 4089 1 1 19 GLY HA2 H 11.027 4.138 1.750 1.00 . A A . 19 GLY HA2 1 1 11 4090 1 1 19 GLY HA3 H 10.211 2.551 2.022 1.00 . A A . 19 GLY HA3 1 1 11 4091 1 1 19 GLY N N 9.672 3.520 0.316 1.00 . A A . 19 GLY N 1 1 11 4092 1 1 19 GLY O O 12.948 2.558 1.180 1.00 . A A . 19 GLY O 1 1 11 4093 1 1 20 GLU C C 13.295 2.028 -2.095 1.00 . A A . 20 GLU C 1 1 11 4094 1 1 20 GLU CA C 12.577 1.061 -1.191 1.00 . A A . 20 GLU CA 1 1 11 4095 1 1 20 GLU CB C 11.958 -0.099 -2.012 1.00 . A A . 20 GLU CB 1 1 11 4096 1 1 20 GLU CD C 12.257 -2.087 -3.505 1.00 . A A . 20 GLU CD 1 1 11 4097 1 1 20 GLU CG C 12.983 -0.955 -2.777 1.00 . A A . 20 GLU CG 1 1 11 4098 1 1 20 GLU H H 10.660 1.767 -0.856 1.00 . A A . 20 GLU H 1 1 11 4099 1 1 20 GLU HA H 13.289 0.647 -0.489 1.00 . A A . 20 GLU HA 1 1 11 4100 1 1 20 GLU HB2 H 11.422 -0.763 -1.296 1.00 . A A . 20 GLU HB2 1 1 11 4101 1 1 20 GLU HB3 H 11.197 0.304 -2.715 1.00 . A A . 20 GLU HB3 1 1 11 4102 1 1 20 GLU HG2 H 13.527 -0.339 -3.523 1.00 . A A . 20 GLU HG2 1 1 11 4103 1 1 20 GLU HG3 H 13.721 -1.377 -2.061 1.00 . A A . 20 GLU HG3 1 1 11 4104 1 1 20 GLU N N 11.576 1.799 -0.461 1.00 . A A . 20 GLU N 1 1 11 4105 1 1 20 GLU O O 14.424 2.423 -1.811 1.00 . A A . 20 GLU O 1 1 11 4106 1 1 20 GLU OE1 O 11.423 -1.778 -4.398 1.00 . A A . 20 GLU OE1 1 1 11 4107 1 1 20 GLU OE2 O 12.529 -3.273 -3.178 1.00 . A A . 20 GLU OE2 1 1 11 4108 1 1 21 HIS C C 12.666 4.740 -3.757 1.00 . A A . 21 HIS C 1 1 11 4109 1 1 21 HIS CA C 13.155 3.380 -4.152 1.00 . A A . 21 HIS CA 1 1 11 4110 1 1 21 HIS CB C 12.720 3.071 -5.602 1.00 . A A . 21 HIS CB 1 1 11 4111 1 1 21 HIS CD2 C 14.607 3.633 -7.288 1.00 . A A . 21 HIS CD2 1 1 11 4112 1 1 21 HIS CE1 C 13.900 5.495 -8.065 1.00 . A A . 21 HIS CE1 1 1 11 4113 1 1 21 HIS CG C 13.428 3.881 -6.654 1.00 . A A . 21 HIS CG 1 1 11 4114 1 1 21 HIS H H 11.728 2.106 -3.425 1.00 . A A . 21 HIS H 1 1 11 4115 1 1 21 HIS HA H 14.226 3.340 -4.098 1.00 . A A . 21 HIS HA 1 1 11 4116 1 1 21 HIS HB2 H 12.958 2.005 -5.806 1.00 . A A . 21 HIS HB2 1 1 11 4117 1 1 21 HIS HB3 H 11.623 3.201 -5.705 1.00 . A A . 21 HIS HB3 1 1 11 4118 1 1 21 HIS HD1 H 12.136 5.553 -6.892 1.00 . A A . 21 HIS HD1 1 1 11 4119 1 1 21 HIS HD2 H 15.285 2.796 -7.178 1.00 . A A . 21 HIS HD2 1 1 11 4120 1 1 21 HIS HE1 H 13.804 6.427 -8.619 1.00 . A A . 21 HIS HE1 1 1 11 4121 1 1 21 HIS N N 12.634 2.441 -3.203 1.00 . A A . 21 HIS N 1 1 11 4122 1 1 21 HIS ND1 N 12.979 5.083 -7.159 1.00 . A A . 21 HIS ND1 1 1 11 4123 1 1 21 HIS NE2 N 14.906 4.648 -8.177 1.00 . A A . 21 HIS NE2 1 1 11 4124 1 1 21 HIS O O 11.561 4.888 -3.241 1.00 . A A . 21 HIS O 1 1 11 4125 1 1 22 ILE C C 13.232 7.848 -4.971 1.00 . A A . 22 ILE C 1 1 11 4126 1 1 22 ILE CA C 13.224 7.137 -3.654 1.00 . A A . 22 ILE CA 1 1 11 4127 1 1 22 ILE CB C 14.185 7.770 -2.639 1.00 . A A . 22 ILE CB 1 1 11 4128 1 1 22 ILE CD1 C 15.141 5.837 -1.172 1.00 . A A . 22 ILE CD1 1 1 11 4129 1 1 22 ILE CG1 C 14.167 7.016 -1.280 1.00 . A A . 22 ILE CG1 1 1 11 4130 1 1 22 ILE CG2 C 13.775 9.246 -2.409 1.00 . A A . 22 ILE CG2 1 1 11 4131 1 1 22 ILE H H 14.384 5.593 -4.436 1.00 . A A . 22 ILE H 1 1 11 4132 1 1 22 ILE HA H 12.231 7.223 -3.269 1.00 . A A . 22 ILE HA 1 1 11 4133 1 1 22 ILE HB H 15.230 7.752 -3.018 1.00 . A A . 22 ILE HB 1 1 11 4134 1 1 22 ILE HD11 H 16.177 6.171 -1.393 1.00 . A A . 22 ILE HD11 1 1 11 4135 1 1 22 ILE HD12 H 14.873 5.027 -1.877 1.00 . A A . 22 ILE HD12 1 1 11 4136 1 1 22 ILE HD13 H 15.118 5.418 -0.143 1.00 . A A . 22 ILE HD13 1 1 11 4137 1 1 22 ILE HG12 H 14.452 7.743 -0.485 1.00 . A A . 22 ILE HG12 1 1 11 4138 1 1 22 ILE HG13 H 13.132 6.674 -1.063 1.00 . A A . 22 ILE HG13 1 1 11 4139 1 1 22 ILE HG21 H 12.722 9.302 -2.059 1.00 . A A . 22 ILE HG21 1 1 11 4140 1 1 22 ILE HG22 H 13.875 9.845 -3.337 1.00 . A A . 22 ILE HG22 1 1 11 4141 1 1 22 ILE HG23 H 14.428 9.703 -1.636 1.00 . A A . 22 ILE HG23 1 1 11 4142 1 1 22 ILE N N 13.513 5.764 -3.987 1.00 . A A . 22 ILE N 1 1 11 4143 1 1 22 ILE O O 12.185 8.148 -5.544 1.00 . A A . 22 ILE O 1 1 11 4144 1 1 23 HIS C C 15.989 8.234 -7.212 1.00 . A A . 23 HIS C 1 1 11 4145 1 1 23 HIS CA C 14.706 8.804 -6.690 1.00 . A A . 23 HIS CA 1 1 11 4146 1 1 23 HIS CB C 14.849 10.336 -6.499 1.00 . A A . 23 HIS CB 1 1 11 4147 1 1 23 HIS CD2 C 14.918 10.769 -9.069 1.00 . A A . 23 HIS CD2 1 1 11 4148 1 1 23 HIS CE1 C 15.822 12.707 -9.098 1.00 . A A . 23 HIS CE1 1 1 11 4149 1 1 23 HIS CG C 15.156 11.092 -7.768 1.00 . A A . 23 HIS CG 1 1 11 4150 1 1 23 HIS H H 15.233 7.811 -4.950 1.00 . A A . 23 HIS H 1 1 11 4151 1 1 23 HIS HA H 13.921 8.560 -7.380 1.00 . A A . 23 HIS HA 1 1 11 4152 1 1 23 HIS HB2 H 13.894 10.733 -6.090 1.00 . A A . 23 HIS HB2 1 1 11 4153 1 1 23 HIS HB3 H 15.646 10.545 -5.752 1.00 . A A . 23 HIS HB3 1 1 11 4154 1 1 23 HIS HD1 H 16.026 12.873 -6.995 1.00 . A A . 23 HIS HD1 1 1 11 4155 1 1 23 HIS HD2 H 14.465 9.881 -9.492 1.00 . A A . 23 HIS HD2 1 1 11 4156 1 1 23 HIS HE1 H 16.246 13.659 -9.416 1.00 . A A . 23 HIS HE1 1 1 11 4157 1 1 23 HIS N N 14.447 8.112 -5.466 1.00 . A A . 23 HIS N 1 1 11 4158 1 1 23 HIS ND1 N 15.733 12.343 -7.793 1.00 . A A . 23 HIS ND1 1 1 11 4159 1 1 23 HIS NE2 N 15.341 11.784 -9.908 1.00 . A A . 23 HIS NE2 1 1 11 4160 1 1 23 HIS O O 16.023 7.688 -8.313 1.00 . A A . 23 HIS O 1 1 11 4161 1 1 24 HIS C C 18.968 8.598 -7.941 1.00 . A A . 24 HIS C 1 1 11 4162 1 1 24 HIS CA C 18.394 7.860 -6.707 1.00 . A A . 24 HIS CA 1 1 11 4163 1 1 24 HIS CB C 18.492 6.311 -6.802 1.00 . A A . 24 HIS CB 1 1 11 4164 1 1 24 HIS CD2 C 18.735 5.138 -4.502 1.00 . A A . 24 HIS CD2 1 1 11 4165 1 1 24 HIS CE1 C 16.686 4.718 -4.055 1.00 . A A . 24 HIS CE1 1 1 11 4166 1 1 24 HIS CG C 18.017 5.609 -5.558 1.00 . A A . 24 HIS CG 1 1 11 4167 1 1 24 HIS H H 16.994 8.818 -5.527 1.00 . A A . 24 HIS H 1 1 11 4168 1 1 24 HIS HA H 19.002 8.156 -5.864 1.00 . A A . 24 HIS HA 1 1 11 4169 1 1 24 HIS HB2 H 17.902 5.941 -7.666 1.00 . A A . 24 HIS HB2 1 1 11 4170 1 1 24 HIS HB3 H 19.555 6.025 -6.960 1.00 . A A . 24 HIS HB3 1 1 11 4171 1 1 24 HIS HD1 H 15.911 5.553 -5.843 1.00 . A A . 24 HIS HD1 1 1 11 4172 1 1 24 HIS HD2 H 19.804 5.155 -4.332 1.00 . A A . 24 HIS HD2 1 1 11 4173 1 1 24 HIS HE1 H 15.771 4.388 -3.570 1.00 . A A . 24 HIS HE1 1 1 11 4174 1 1 24 HIS N N 17.073 8.358 -6.407 1.00 . A A . 24 HIS N 1 1 11 4175 1 1 24 HIS ND1 N 16.697 5.336 -5.263 1.00 . A A . 24 HIS ND1 1 1 11 4176 1 1 24 HIS NE2 N 17.898 4.576 -3.555 1.00 . A A . 24 HIS NE2 1 1 11 4177 1 1 24 HIS O O 19.062 9.831 -7.917 1.00 . A A . 24 HIS O 1 1 11 4178 1 1 25 NH2 HN1 H 19.710 8.283 -9.831 1.00 . A A . 25 NH2 HN1 1 1 11 4179 1 1 25 NH2 HN2 H 19.236 6.847 -8.986 1.00 . A A . 25 NH2 HN2 1 1 11 4180 1 1 25 NH2 N N 19.341 7.841 -9.014 1.00 . A A . 25 NH2 N 1 1 12 4181 1 1 1 ACE C C -2.264 0.042 5.230 1.00 . A A . 1 ACE C 1 1 12 4182 1 1 1 ACE CH3 C -1.458 1.278 4.993 1.00 . A A . 1 ACE CH3 1 1 12 4183 1 1 1 ACE H1 H -1.818 1.817 4.090 1.00 . A A . 1 ACE H1 1 1 12 4184 1 1 1 ACE H2 H -1.537 1.961 5.868 1.00 . A A . 1 ACE H2 1 1 12 4185 1 1 1 ACE H3 H -0.388 1.016 4.845 1.00 . A A . 1 ACE H3 1 1 12 4186 1 1 1 ACE O O -1.881 -0.800 6.040 1.00 . A A . 1 ACE O 1 1 12 4187 1 1 2 PHE C C -5.207 -1.059 5.814 1.00 . A A . 2 PHE C 1 1 12 4188 1 1 2 PHE CA C -4.378 -1.133 4.553 1.00 . A A . 2 PHE CA 1 1 12 4189 1 1 2 PHE CB C -3.801 -2.561 4.303 1.00 . A A . 2 PHE CB 1 1 12 4190 1 1 2 PHE CD1 C -5.884 -3.519 3.198 1.00 . A A . 2 PHE CD1 1 1 12 4191 1 1 2 PHE CD2 C -4.857 -4.750 5.012 1.00 . A A . 2 PHE CD2 1 1 12 4192 1 1 2 PHE CE1 C -6.874 -4.506 3.088 1.00 . A A . 2 PHE CE1 1 1 12 4193 1 1 2 PHE CE2 C -5.845 -5.737 4.904 1.00 . A A . 2 PHE CE2 1 1 12 4194 1 1 2 PHE CG C -4.867 -3.627 4.164 1.00 . A A . 2 PHE CG 1 1 12 4195 1 1 2 PHE CZ C -6.856 -5.613 3.943 1.00 . A A . 2 PHE CZ 1 1 12 4196 1 1 2 PHE H H -3.646 0.662 3.867 1.00 . A A . 2 PHE H 1 1 12 4197 1 1 2 PHE HA H -5.041 -0.908 3.731 1.00 . A A . 2 PHE HA 1 1 12 4198 1 1 2 PHE HB2 H -3.218 -2.555 3.358 1.00 . A A . 2 PHE HB2 1 1 12 4199 1 1 2 PHE HB3 H -3.118 -2.844 5.132 1.00 . A A . 2 PHE HB3 1 1 12 4200 1 1 2 PHE HD1 H -5.914 -2.670 2.535 1.00 . A A . 2 PHE HD1 1 1 12 4201 1 1 2 PHE HD2 H -4.085 -4.850 5.760 1.00 . A A . 2 PHE HD2 1 1 12 4202 1 1 2 PHE HE1 H -7.651 -4.412 2.346 1.00 . A A . 2 PHE HE1 1 1 12 4203 1 1 2 PHE HE2 H -5.830 -6.590 5.564 1.00 . A A . 2 PHE HE2 1 1 12 4204 1 1 2 PHE HZ H -7.621 -6.370 3.862 1.00 . A A . 2 PHE HZ 1 1 12 4205 1 1 2 PHE N N -3.407 -0.063 4.508 1.00 . A A . 2 PHE N 1 1 12 4206 1 1 2 PHE O O -4.691 -1.133 6.927 1.00 . A A . 2 PHE O 1 1 12 4207 1 1 3 GLU C C -8.166 -2.345 6.506 1.00 . A A . 3 GLU C 1 1 12 4208 1 1 3 GLU CA C -7.514 -1.002 6.692 1.00 . A A . 3 GLU CA 1 1 12 4209 1 1 3 GLU CB C -8.558 0.146 6.640 1.00 . A A . 3 GLU CB 1 1 12 4210 1 1 3 GLU CD C -7.228 1.672 8.152 1.00 . A A . 3 GLU CD 1 1 12 4211 1 1 3 GLU CG C -7.954 1.554 6.813 1.00 . A A . 3 GLU CG 1 1 12 4212 1 1 3 GLU H H -6.925 -0.833 4.716 1.00 . A A . 3 GLU H 1 1 12 4213 1 1 3 GLU HA H -7.021 -1.000 7.653 1.00 . A A . 3 GLU HA 1 1 12 4214 1 1 3 GLU HB2 H -9.078 0.133 5.655 1.00 . A A . 3 GLU HB2 1 1 12 4215 1 1 3 GLU HB3 H -9.321 -0.004 7.437 1.00 . A A . 3 GLU HB3 1 1 12 4216 1 1 3 GLU HG2 H -7.247 1.754 5.981 1.00 . A A . 3 GLU HG2 1 1 12 4217 1 1 3 GLU HG3 H -8.763 2.313 6.769 1.00 . A A . 3 GLU HG3 1 1 12 4218 1 1 3 GLU N N -6.542 -0.924 5.631 1.00 . A A . 3 GLU N 1 1 12 4219 1 1 3 GLU O O -7.492 -3.372 6.567 1.00 . A A . 3 GLU O 1 1 12 4220 1 1 3 GLU OE1 O -7.904 1.541 9.207 1.00 . A A . 3 GLU OE1 1 1 12 4221 1 1 3 GLU OE2 O -5.987 1.894 8.137 1.00 . A A . 3 GLU OE2 1 1 12 4222 1 1 4 ASP C C -10.408 -3.546 4.405 1.00 . A A . 4 ASP C 1 1 12 4223 1 1 4 ASP CA C -10.243 -3.544 5.899 1.00 . A A . 4 ASP CA 1 1 12 4224 1 1 4 ASP CB C -11.622 -3.654 6.619 1.00 . A A . 4 ASP CB 1 1 12 4225 1 1 4 ASP CG C -12.555 -2.457 6.384 1.00 . A A . 4 ASP CG 1 1 12 4226 1 1 4 ASP H H -10.027 -1.521 6.261 1.00 . A A . 4 ASP H 1 1 12 4227 1 1 4 ASP HA H -9.661 -4.411 6.148 1.00 . A A . 4 ASP HA 1 1 12 4228 1 1 4 ASP HB2 H -12.131 -4.584 6.285 1.00 . A A . 4 ASP HB2 1 1 12 4229 1 1 4 ASP HB3 H -11.443 -3.744 7.712 1.00 . A A . 4 ASP HB3 1 1 12 4230 1 1 4 ASP N N -9.494 -2.364 6.259 1.00 . A A . 4 ASP N 1 1 12 4231 1 1 4 ASP O O -10.454 -4.599 3.770 1.00 . A A . 4 ASP O 1 1 12 4232 1 1 4 ASP OD1 O -12.222 -1.334 6.847 1.00 . A A . 4 ASP OD1 1 1 12 4233 1 1 4 ASP OD2 O -13.620 -2.661 5.742 1.00 . A A . 4 ASP OD2 1 1 12 4234 1 1 5 LEU C C -9.365 -2.052 1.728 1.00 . A A . 5 LEU C 1 1 12 4235 1 1 5 LEU CA C -10.709 -2.109 2.418 1.00 . A A . 5 LEU CA 1 1 12 4236 1 1 5 LEU CB C -11.431 -0.766 2.135 1.00 . A A . 5 LEU CB 1 1 12 4237 1 1 5 LEU CD1 C -13.370 0.807 2.593 1.00 . A A . 5 LEU CD1 1 1 12 4238 1 1 5 LEU CD2 C -13.829 -1.680 2.363 1.00 . A A . 5 LEU CD2 1 1 12 4239 1 1 5 LEU CG C -12.812 -0.612 2.816 1.00 . A A . 5 LEU CG 1 1 12 4240 1 1 5 LEU H H -10.403 -1.524 4.399 1.00 . A A . 5 LEU H 1 1 12 4241 1 1 5 LEU HA H -11.304 -2.929 2.048 1.00 . A A . 5 LEU HA 1 1 12 4242 1 1 5 LEU HB2 H -10.787 0.071 2.488 1.00 . A A . 5 LEU HB2 1 1 12 4243 1 1 5 LEU HB3 H -11.574 -0.647 1.038 1.00 . A A . 5 LEU HB3 1 1 12 4244 1 1 5 LEU HD11 H -13.535 0.990 1.510 1.00 . A A . 5 LEU HD11 1 1 12 4245 1 1 5 LEU HD12 H -12.656 1.565 2.976 1.00 . A A . 5 LEU HD12 1 1 12 4246 1 1 5 LEU HD13 H -14.337 0.929 3.126 1.00 . A A . 5 LEU HD13 1 1 12 4247 1 1 5 LEU HD21 H -14.809 -1.502 2.856 1.00 . A A . 5 LEU HD21 1 1 12 4248 1 1 5 LEU HD22 H -13.487 -2.698 2.640 1.00 . A A . 5 LEU HD22 1 1 12 4249 1 1 5 LEU HD23 H -13.973 -1.635 1.263 1.00 . A A . 5 LEU HD23 1 1 12 4250 1 1 5 LEU HG H -12.667 -0.732 3.914 1.00 . A A . 5 LEU HG 1 1 12 4251 1 1 5 LEU N N -10.486 -2.330 3.824 1.00 . A A . 5 LEU N 1 1 12 4252 1 1 5 LEU O O -8.418 -1.538 2.326 1.00 . A A . 5 LEU O 1 1 12 4253 1 1 6 PRO C C -7.889 -1.093 -0.969 1.00 . A A . 6 PRO C 1 1 12 4254 1 1 6 PRO CA C -7.982 -2.435 -0.280 1.00 . A A . 6 PRO CA 1 1 12 4255 1 1 6 PRO CB C -8.125 -3.560 -1.315 1.00 . A A . 6 PRO CB 1 1 12 4256 1 1 6 PRO CD C -10.235 -3.309 -0.223 1.00 . A A . 6 PRO CD 1 1 12 4257 1 1 6 PRO CG C -9.628 -3.618 -1.594 1.00 . A A . 6 PRO CG 1 1 12 4258 1 1 6 PRO HA H -7.127 -2.551 0.367 1.00 . A A . 6 PRO HA 1 1 12 4259 1 1 6 PRO HB2 H -7.525 -3.406 -2.234 1.00 . A A . 6 PRO HB2 1 1 12 4260 1 1 6 PRO HB3 H -7.813 -4.519 -0.843 1.00 . A A . 6 PRO HB3 1 1 12 4261 1 1 6 PRO HD2 H -11.172 -2.722 -0.325 1.00 . A A . 6 PRO HD2 1 1 12 4262 1 1 6 PRO HD3 H -10.425 -4.251 0.336 1.00 . A A . 6 PRO HD3 1 1 12 4263 1 1 6 PRO HG2 H -9.906 -2.817 -2.314 1.00 . A A . 6 PRO HG2 1 1 12 4264 1 1 6 PRO HG3 H -9.949 -4.601 -1.989 1.00 . A A . 6 PRO HG3 1 1 12 4265 1 1 6 PRO N N -9.214 -2.538 0.491 1.00 . A A . 6 PRO N 1 1 12 4266 1 1 6 PRO O O -7.102 -0.955 -1.905 1.00 . A A . 6 PRO O 1 1 12 4267 1 1 7 ASN C C -7.497 1.982 -0.419 1.00 . A A . 7 ASN C 1 1 12 4268 1 1 7 ASN CA C -8.679 1.262 -0.998 1.00 . A A . 7 ASN CA 1 1 12 4269 1 1 7 ASN CB C -10.001 1.981 -0.614 1.00 . A A . 7 ASN CB 1 1 12 4270 1 1 7 ASN CG C -10.122 3.369 -1.263 1.00 . A A . 7 ASN CG 1 1 12 4271 1 1 7 ASN H H -9.251 -0.262 0.286 1.00 . A A . 7 ASN H 1 1 12 4272 1 1 7 ASN HA H -8.559 1.217 -2.061 1.00 . A A . 7 ASN HA 1 1 12 4273 1 1 7 ASN HB2 H -10.858 1.357 -0.951 1.00 . A A . 7 ASN HB2 1 1 12 4274 1 1 7 ASN HB3 H -10.076 2.086 0.489 1.00 . A A . 7 ASN HB3 1 1 12 4275 1 1 7 ASN HD21 H -10.237 2.532 -3.138 1.00 . A A . 7 ASN HD21 1 1 12 4276 1 1 7 ASN HD22 H -10.319 4.262 -3.105 1.00 . A A . 7 ASN HD22 1 1 12 4277 1 1 7 ASN N N -8.658 -0.089 -0.494 1.00 . A A . 7 ASN N 1 1 12 4278 1 1 7 ASN ND2 N -10.237 3.389 -2.624 1.00 . A A . 7 ASN ND2 1 1 12 4279 1 1 7 ASN O O -6.766 2.682 -1.116 1.00 . A A . 7 ASN O 1 1 12 4280 1 1 7 ASN OD1 O -10.112 4.390 -0.565 1.00 . A A . 7 ASN OD1 1 1 12 4281 1 1 8 PHE C C -5.030 1.276 1.542 1.00 . A A . 8 PHE C 1 1 12 4282 1 1 8 PHE CA C -6.171 2.264 1.651 1.00 . A A . 8 PHE CA 1 1 12 4283 1 1 8 PHE CB C -6.551 2.491 3.140 1.00 . A A . 8 PHE CB 1 1 12 4284 1 1 8 PHE CD1 C -5.334 4.703 3.378 1.00 . A A . 8 PHE CD1 1 1 12 4285 1 1 8 PHE CD2 C -4.890 2.961 4.996 1.00 . A A . 8 PHE CD2 1 1 12 4286 1 1 8 PHE CE1 C -4.425 5.543 4.031 1.00 . A A . 8 PHE CE1 1 1 12 4287 1 1 8 PHE CE2 C -3.982 3.799 5.653 1.00 . A A . 8 PHE CE2 1 1 12 4288 1 1 8 PHE CG C -5.572 3.398 3.847 1.00 . A A . 8 PHE CG 1 1 12 4289 1 1 8 PHE CZ C -3.745 5.090 5.167 1.00 . A A . 8 PHE CZ 1 1 12 4290 1 1 8 PHE H H -7.932 1.165 1.360 1.00 . A A . 8 PHE H 1 1 12 4291 1 1 8 PHE HA H -5.862 3.197 1.202 1.00 . A A . 8 PHE HA 1 1 12 4292 1 1 8 PHE HB2 H -7.540 2.997 3.186 1.00 . A A . 8 PHE HB2 1 1 12 4293 1 1 8 PHE HB3 H -6.632 1.523 3.680 1.00 . A A . 8 PHE HB3 1 1 12 4294 1 1 8 PHE HD1 H -5.855 5.067 2.505 1.00 . A A . 8 PHE HD1 1 1 12 4295 1 1 8 PHE HD2 H -5.066 1.968 5.381 1.00 . A A . 8 PHE HD2 1 1 12 4296 1 1 8 PHE HE1 H -4.247 6.541 3.658 1.00 . A A . 8 PHE HE1 1 1 12 4297 1 1 8 PHE HE2 H -3.463 3.448 6.534 1.00 . A A . 8 PHE HE2 1 1 12 4298 1 1 8 PHE HZ H -3.043 5.737 5.672 1.00 . A A . 8 PHE HZ 1 1 12 4299 1 1 8 PHE N N -7.290 1.762 0.892 1.00 . A A . 8 PHE N 1 1 12 4300 1 1 8 PHE O O -3.896 1.583 1.903 1.00 . A A . 8 PHE O 1 1 12 4301 1 1 9 GLY C C -3.645 -0.704 -0.604 1.00 . A A . 9 GLY C 1 1 12 4302 1 1 9 GLY CA C -4.333 -0.952 0.708 1.00 . A A . 9 GLY CA 1 1 12 4303 1 1 9 GLY H H -6.243 -0.157 0.712 1.00 . A A . 9 GLY H 1 1 12 4304 1 1 9 GLY HA2 H -3.593 -0.955 1.496 1.00 . A A . 9 GLY HA2 1 1 12 4305 1 1 9 GLY HA3 H -4.871 -1.885 0.630 1.00 . A A . 9 GLY HA3 1 1 12 4306 1 1 9 GLY N N -5.312 0.068 0.991 1.00 . A A . 9 GLY N 1 1 12 4307 1 1 9 GLY O O -2.739 -1.446 -0.974 1.00 . A A . 9 GLY O 1 1 12 4308 1 1 10 HIS C C -2.310 1.805 -2.052 1.00 . A A . 10 HIS C 1 1 12 4309 1 1 10 HIS CA C -3.383 0.855 -2.509 1.00 . A A . 10 HIS CA 1 1 12 4310 1 1 10 HIS CB C -4.350 1.596 -3.465 1.00 . A A . 10 HIS CB 1 1 12 4311 1 1 10 HIS CD2 C -3.412 1.565 -5.889 1.00 . A A . 10 HIS CD2 1 1 12 4312 1 1 10 HIS CE1 C -2.630 3.552 -6.026 1.00 . A A . 10 HIS CE1 1 1 12 4313 1 1 10 HIS CG C -3.689 2.160 -4.697 1.00 . A A . 10 HIS CG 1 1 12 4314 1 1 10 HIS H H -4.820 0.924 -1.023 1.00 . A A . 10 HIS H 1 1 12 4315 1 1 10 HIS HA H -2.919 0.029 -3.031 1.00 . A A . 10 HIS HA 1 1 12 4316 1 1 10 HIS HB2 H -5.128 0.875 -3.796 1.00 . A A . 10 HIS HB2 1 1 12 4317 1 1 10 HIS HB3 H -4.866 2.416 -2.921 1.00 . A A . 10 HIS HB3 1 1 12 4318 1 1 10 HIS HD1 H -3.214 4.139 -4.075 1.00 . A A . 10 HIS HD1 1 1 12 4319 1 1 10 HIS HD2 H -3.630 0.558 -6.223 1.00 . A A . 10 HIS HD2 1 1 12 4320 1 1 10 HIS HE1 H -2.149 4.464 -6.376 1.00 . A A . 10 HIS HE1 1 1 12 4321 1 1 10 HIS N N -4.052 0.366 -1.329 1.00 . A A . 10 HIS N 1 1 12 4322 1 1 10 HIS ND1 N -3.181 3.440 -4.791 1.00 . A A . 10 HIS ND1 1 1 12 4323 1 1 10 HIS NE2 N -2.744 2.440 -6.727 1.00 . A A . 10 HIS NE2 1 1 12 4324 1 1 10 HIS O O -1.206 1.797 -2.589 1.00 . A A . 10 HIS O 1 1 12 4325 1 1 11 ILE C C -0.629 2.901 0.319 1.00 . A A . 11 ILE C 1 1 12 4326 1 1 11 ILE CA C -1.747 3.615 -0.415 1.00 . A A . 11 ILE CA 1 1 12 4327 1 1 11 ILE CB C -2.526 4.584 0.491 1.00 . A A . 11 ILE CB 1 1 12 4328 1 1 11 ILE CD1 C -4.420 5.216 -1.215 1.00 . A A . 11 ILE CD1 1 1 12 4329 1 1 11 ILE CG1 C -3.254 5.681 -0.337 1.00 . A A . 11 ILE CG1 1 1 12 4330 1 1 11 ILE CG2 C -1.619 5.279 1.537 1.00 . A A . 11 ILE CG2 1 1 12 4331 1 1 11 ILE H H -3.526 2.580 -0.602 1.00 . A A . 11 ILE H 1 1 12 4332 1 1 11 ILE HA H -1.292 4.183 -1.215 1.00 . A A . 11 ILE HA 1 1 12 4333 1 1 11 ILE HB H -3.294 4.010 1.056 1.00 . A A . 11 ILE HB 1 1 12 4334 1 1 11 ILE HD11 H -4.933 6.096 -1.660 1.00 . A A . 11 ILE HD11 1 1 12 4335 1 1 11 ILE HD12 H -5.159 4.654 -0.608 1.00 . A A . 11 ILE HD12 1 1 12 4336 1 1 11 ILE HD13 H -4.067 4.571 -2.044 1.00 . A A . 11 ILE HD13 1 1 12 4337 1 1 11 ILE HG12 H -3.660 6.428 0.384 1.00 . A A . 11 ILE HG12 1 1 12 4338 1 1 11 ILE HG13 H -2.505 6.204 -0.972 1.00 . A A . 11 ILE HG13 1 1 12 4339 1 1 11 ILE HG21 H -2.207 6.031 2.104 1.00 . A A . 11 ILE HG21 1 1 12 4340 1 1 11 ILE HG22 H -0.777 5.799 1.036 1.00 . A A . 11 ILE HG22 1 1 12 4341 1 1 11 ILE HG23 H -1.216 4.549 2.269 1.00 . A A . 11 ILE HG23 1 1 12 4342 1 1 11 ILE N N -2.621 2.625 -1.016 1.00 . A A . 11 ILE N 1 1 12 4343 1 1 11 ILE O O 0.479 3.422 0.425 1.00 . A A . 11 ILE O 1 1 12 4344 1 1 12 GLN C C 1.244 0.492 0.506 1.00 . A A . 12 GLN C 1 1 12 4345 1 1 12 GLN CA C 0.070 0.768 1.414 1.00 . A A . 12 GLN CA 1 1 12 4346 1 1 12 GLN CB C -0.613 -0.570 1.800 1.00 . A A . 12 GLN CB 1 1 12 4347 1 1 12 GLN CD C 1.304 -2.273 2.073 1.00 . A A . 12 GLN CD 1 1 12 4348 1 1 12 GLN CG C 0.164 -1.502 2.758 1.00 . A A . 12 GLN CG 1 1 12 4349 1 1 12 GLN H H -1.797 1.259 0.674 1.00 . A A . 12 GLN H 1 1 12 4350 1 1 12 GLN HA H 0.425 1.264 2.307 1.00 . A A . 12 GLN HA 1 1 12 4351 1 1 12 GLN HB2 H -1.552 -0.298 2.336 1.00 . A A . 12 GLN HB2 1 1 12 4352 1 1 12 GLN HB3 H -0.922 -1.121 0.888 1.00 . A A . 12 GLN HB3 1 1 12 4353 1 1 12 GLN HE21 H -0.002 -3.095 0.710 1.00 . A A . 12 GLN HE21 1 1 12 4354 1 1 12 GLN HE22 H 1.651 -3.583 0.525 1.00 . A A . 12 GLN HE22 1 1 12 4355 1 1 12 GLN HG2 H 0.581 -0.906 3.597 1.00 . A A . 12 GLN HG2 1 1 12 4356 1 1 12 GLN HG3 H -0.547 -2.245 3.185 1.00 . A A . 12 GLN HG3 1 1 12 4357 1 1 12 GLN N N -0.886 1.651 0.783 1.00 . A A . 12 GLN N 1 1 12 4358 1 1 12 GLN NE2 N 0.952 -3.055 1.008 1.00 . A A . 12 GLN NE2 1 1 12 4359 1 1 12 GLN O O 2.386 0.491 0.956 1.00 . A A . 12 GLN O 1 1 12 4360 1 1 12 GLN OE1 O 2.463 -2.181 2.492 1.00 . A A . 12 GLN OE1 1 1 12 4361 1 1 13 VAL C C 2.881 1.045 -2.130 1.00 . A A . 13 VAL C 1 1 12 4362 1 1 13 VAL CA C 1.943 -0.094 -1.815 1.00 . A A . 13 VAL CA 1 1 12 4363 1 1 13 VAL CB C 1.266 -0.601 -3.089 1.00 . A A . 13 VAL CB 1 1 12 4364 1 1 13 VAL CG1 C 2.300 -1.065 -4.139 1.00 . A A . 13 VAL CG1 1 1 12 4365 1 1 13 VAL CG2 C 0.321 -1.763 -2.711 1.00 . A A . 13 VAL CG2 1 1 12 4366 1 1 13 VAL H H 0.035 0.334 -1.139 1.00 . A A . 13 VAL H 1 1 12 4367 1 1 13 VAL HA H 2.538 -0.878 -1.390 1.00 . A A . 13 VAL HA 1 1 12 4368 1 1 13 VAL HB H 0.647 0.208 -3.536 1.00 . A A . 13 VAL HB 1 1 12 4369 1 1 13 VAL HG11 H 2.892 -0.209 -4.524 1.00 . A A . 13 VAL HG11 1 1 12 4370 1 1 13 VAL HG12 H 1.778 -1.532 -5.001 1.00 . A A . 13 VAL HG12 1 1 12 4371 1 1 13 VAL HG13 H 2.991 -1.812 -3.697 1.00 . A A . 13 VAL HG13 1 1 12 4372 1 1 13 VAL HG21 H 0.887 -2.569 -2.199 1.00 . A A . 13 VAL HG21 1 1 12 4373 1 1 13 VAL HG22 H -0.145 -2.185 -3.627 1.00 . A A . 13 VAL HG22 1 1 12 4374 1 1 13 VAL HG23 H -0.491 -1.416 -2.043 1.00 . A A . 13 VAL HG23 1 1 12 4375 1 1 13 VAL N N 0.973 0.280 -0.807 1.00 . A A . 13 VAL N 1 1 12 4376 1 1 13 VAL O O 4.044 0.830 -2.463 1.00 . A A . 13 VAL O 1 1 12 4377 1 1 14 LYS C C 4.211 3.680 -1.165 1.00 . A A . 14 LYS C 1 1 12 4378 1 1 14 LYS CA C 3.174 3.496 -2.247 1.00 . A A . 14 LYS CA 1 1 12 4379 1 1 14 LYS CB C 2.325 4.793 -2.323 1.00 . A A . 14 LYS CB 1 1 12 4380 1 1 14 LYS CD C 0.485 4.225 -4.103 1.00 . A A . 14 LYS CD 1 1 12 4381 1 1 14 LYS CE C 0.824 3.015 -4.991 1.00 . A A . 14 LYS CE 1 1 12 4382 1 1 14 LYS CG C 1.679 5.105 -3.692 1.00 . A A . 14 LYS CG 1 1 12 4383 1 1 14 LYS H H 1.466 2.409 -1.665 1.00 . A A . 14 LYS H 1 1 12 4384 1 1 14 LYS HA H 3.695 3.367 -3.186 1.00 . A A . 14 LYS HA 1 1 12 4385 1 1 14 LYS HB2 H 1.544 4.778 -1.534 1.00 . A A . 14 LYS HB2 1 1 12 4386 1 1 14 LYS HB3 H 2.984 5.670 -2.118 1.00 . A A . 14 LYS HB3 1 1 12 4387 1 1 14 LYS HD2 H -0.028 3.884 -3.179 1.00 . A A . 14 LYS HD2 1 1 12 4388 1 1 14 LYS HD3 H -0.240 4.860 -4.661 1.00 . A A . 14 LYS HD3 1 1 12 4389 1 1 14 LYS HE2 H 1.600 2.375 -4.526 1.00 . A A . 14 LYS HE2 1 1 12 4390 1 1 14 LYS HE3 H -0.089 2.407 -5.164 1.00 . A A . 14 LYS HE3 1 1 12 4391 1 1 14 LYS HG2 H 1.289 6.147 -3.613 1.00 . A A . 14 LYS HG2 1 1 12 4392 1 1 14 LYS HG3 H 2.455 5.106 -4.486 1.00 . A A . 14 LYS HG3 1 1 12 4393 1 1 14 LYS HZ1 H 0.604 4.015 -6.795 1.00 . A A . 14 LYS HZ1 1 1 12 4394 1 1 14 LYS HZ2 H 1.539 2.601 -6.893 1.00 . A A . 14 LYS HZ2 1 1 12 4395 1 1 14 LYS HZ3 H 2.194 4.004 -6.195 1.00 . A A . 14 LYS HZ3 1 1 12 4396 1 1 14 LYS N N 2.400 2.297 -1.987 1.00 . A A . 14 LYS N 1 1 12 4397 1 1 14 LYS NZ N 1.328 3.440 -6.317 1.00 . A A . 14 LYS NZ 1 1 12 4398 1 1 14 LYS O O 5.338 4.075 -1.456 1.00 . A A . 14 LYS O 1 1 12 4399 1 1 15 VAL C C 5.717 2.371 1.273 1.00 . A A . 15 VAL C 1 1 12 4400 1 1 15 VAL CA C 4.703 3.497 1.267 1.00 . A A . 15 VAL CA 1 1 12 4401 1 1 15 VAL CB C 3.881 3.491 2.556 1.00 . A A . 15 VAL CB 1 1 12 4402 1 1 15 VAL CG1 C 4.778 3.542 3.813 1.00 . A A . 15 VAL CG1 1 1 12 4403 1 1 15 VAL CG2 C 2.929 4.708 2.530 1.00 . A A . 15 VAL CG2 1 1 12 4404 1 1 15 VAL H H 2.928 3.044 0.299 1.00 . A A . 15 VAL H 1 1 12 4405 1 1 15 VAL HA H 5.238 4.434 1.194 1.00 . A A . 15 VAL HA 1 1 12 4406 1 1 15 VAL HB H 3.264 2.566 2.600 1.00 . A A . 15 VAL HB 1 1 12 4407 1 1 15 VAL HG11 H 4.147 3.646 4.721 1.00 . A A . 15 VAL HG11 1 1 12 4408 1 1 15 VAL HG12 H 5.467 4.411 3.762 1.00 . A A . 15 VAL HG12 1 1 12 4409 1 1 15 VAL HG13 H 5.375 2.613 3.919 1.00 . A A . 15 VAL HG13 1 1 12 4410 1 1 15 VAL HG21 H 3.513 5.650 2.473 1.00 . A A . 15 VAL HG21 1 1 12 4411 1 1 15 VAL HG22 H 2.318 4.730 3.457 1.00 . A A . 15 VAL HG22 1 1 12 4412 1 1 15 VAL HG23 H 2.239 4.668 1.665 1.00 . A A . 15 VAL HG23 1 1 12 4413 1 1 15 VAL N N 3.848 3.375 0.104 1.00 . A A . 15 VAL N 1 1 12 4414 1 1 15 VAL O O 6.845 2.544 1.735 1.00 . A A . 15 VAL O 1 1 12 4415 1 1 16 PHE C C 7.302 0.192 -0.285 1.00 . A A . 16 PHE C 1 1 12 4416 1 1 16 PHE CA C 6.134 -0.009 0.656 1.00 . A A . 16 PHE CA 1 1 12 4417 1 1 16 PHE CB C 5.250 -1.190 0.158 1.00 . A A . 16 PHE CB 1 1 12 4418 1 1 16 PHE CD1 C 6.244 -2.982 1.653 1.00 . A A . 16 PHE CD1 1 1 12 4419 1 1 16 PHE CD2 C 5.915 -3.472 -0.695 1.00 . A A . 16 PHE CD2 1 1 12 4420 1 1 16 PHE CE1 C 6.717 -4.284 1.859 1.00 . A A . 16 PHE CE1 1 1 12 4421 1 1 16 PHE CE2 C 6.387 -4.776 -0.492 1.00 . A A . 16 PHE CE2 1 1 12 4422 1 1 16 PHE CG C 5.842 -2.560 0.373 1.00 . A A . 16 PHE CG 1 1 12 4423 1 1 16 PHE CZ C 6.789 -5.182 0.785 1.00 . A A . 16 PHE CZ 1 1 12 4424 1 1 16 PHE H H 4.421 1.100 0.335 1.00 . A A . 16 PHE H 1 1 12 4425 1 1 16 PHE HA H 6.509 -0.200 1.652 1.00 . A A . 16 PHE HA 1 1 12 4426 1 1 16 PHE HB2 H 4.299 -1.181 0.730 1.00 . A A . 16 PHE HB2 1 1 12 4427 1 1 16 PHE HB3 H 4.999 -1.063 -0.916 1.00 . A A . 16 PHE HB3 1 1 12 4428 1 1 16 PHE HD1 H 6.169 -2.310 2.494 1.00 . A A . 16 PHE HD1 1 1 12 4429 1 1 16 PHE HD2 H 5.595 -3.170 -1.681 1.00 . A A . 16 PHE HD2 1 1 12 4430 1 1 16 PHE HE1 H 7.023 -4.599 2.845 1.00 . A A . 16 PHE HE1 1 1 12 4431 1 1 16 PHE HE2 H 6.442 -5.466 -1.321 1.00 . A A . 16 PHE HE2 1 1 12 4432 1 1 16 PHE HZ H 7.156 -6.185 0.944 1.00 . A A . 16 PHE HZ 1 1 12 4433 1 1 16 PHE N N 5.336 1.195 0.721 1.00 . A A . 16 PHE N 1 1 12 4434 1 1 16 PHE O O 8.426 -0.209 0.012 1.00 . A A . 16 PHE O 1 1 12 4435 1 1 17 ASN C C 8.912 2.248 -2.102 1.00 . A A . 17 ASN C 1 1 12 4436 1 1 17 ASN CA C 8.004 1.106 -2.486 1.00 . A A . 17 ASN CA 1 1 12 4437 1 1 17 ASN CB C 7.327 1.494 -3.827 1.00 . A A . 17 ASN CB 1 1 12 4438 1 1 17 ASN CG C 6.480 0.338 -4.384 1.00 . A A . 17 ASN CG 1 1 12 4439 1 1 17 ASN H H 6.120 1.182 -1.632 1.00 . A A . 17 ASN H 1 1 12 4440 1 1 17 ASN HA H 8.612 0.222 -2.620 1.00 . A A . 17 ASN HA 1 1 12 4441 1 1 17 ASN HB2 H 6.673 2.381 -3.671 1.00 . A A . 17 ASN HB2 1 1 12 4442 1 1 17 ASN HB3 H 8.100 1.750 -4.583 1.00 . A A . 17 ASN HB3 1 1 12 4443 1 1 17 ASN HD21 H 5.670 1.599 -5.797 1.00 . A A . 17 ASN HD21 1 1 12 4444 1 1 17 ASN HD22 H 5.094 -0.034 -5.859 1.00 . A A . 17 ASN HD22 1 1 12 4445 1 1 17 ASN N N 7.041 0.853 -1.438 1.00 . A A . 17 ASN N 1 1 12 4446 1 1 17 ASN ND2 N 5.674 0.664 -5.441 1.00 . A A . 17 ASN ND2 1 1 12 4447 1 1 17 ASN O O 10.080 2.269 -2.486 1.00 . A A . 17 ASN O 1 1 12 4448 1 1 17 ASN OD1 O 6.529 -0.801 -3.907 1.00 . A A . 17 ASN OD1 1 1 12 4449 1 1 18 HIS C C 10.114 4.056 0.158 1.00 . A A . 18 HIS C 1 1 12 4450 1 1 18 HIS CA C 9.087 4.409 -0.886 1.00 . A A . 18 HIS CA 1 1 12 4451 1 1 18 HIS CB C 8.110 5.464 -0.303 1.00 . A A . 18 HIS CB 1 1 12 4452 1 1 18 HIS CD2 C 8.879 7.919 -0.650 1.00 . A A . 18 HIS CD2 1 1 12 4453 1 1 18 HIS CE1 C 9.774 8.323 1.251 1.00 . A A . 18 HIS CE1 1 1 12 4454 1 1 18 HIS CG C 8.740 6.779 0.080 1.00 . A A . 18 HIS CG 1 1 12 4455 1 1 18 HIS H H 7.434 3.167 -1.017 1.00 . A A . 18 HIS H 1 1 12 4456 1 1 18 HIS HA H 9.594 4.832 -1.743 1.00 . A A . 18 HIS HA 1 1 12 4457 1 1 18 HIS HB2 H 7.350 5.689 -1.082 1.00 . A A . 18 HIS HB2 1 1 12 4458 1 1 18 HIS HB3 H 7.574 5.041 0.574 1.00 . A A . 18 HIS HB3 1 1 12 4459 1 1 18 HIS HD1 H 9.390 6.408 2.072 1.00 . A A . 18 HIS HD1 1 1 12 4460 1 1 18 HIS HD2 H 8.563 8.130 -1.663 1.00 . A A . 18 HIS HD2 1 1 12 4461 1 1 18 HIS HE1 H 10.283 8.802 2.085 1.00 . A A . 18 HIS HE1 1 1 12 4462 1 1 18 HIS N N 8.382 3.224 -1.322 1.00 . A A . 18 HIS N 1 1 12 4463 1 1 18 HIS ND1 N 9.319 7.046 1.304 1.00 . A A . 18 HIS ND1 1 1 12 4464 1 1 18 HIS NE2 N 9.531 8.894 0.085 1.00 . A A . 18 HIS NE2 1 1 12 4465 1 1 18 HIS O O 11.199 4.637 0.190 1.00 . A A . 18 HIS O 1 1 12 4466 1 1 19 GLY C C 11.767 1.730 1.540 1.00 . A A . 19 GLY C 1 1 12 4467 1 1 19 GLY CA C 10.662 2.596 2.076 1.00 . A A . 19 GLY CA 1 1 12 4468 1 1 19 GLY H H 8.909 2.604 0.967 1.00 . A A . 19 GLY H 1 1 12 4469 1 1 19 GLY HA2 H 11.098 3.455 2.568 1.00 . A A . 19 GLY HA2 1 1 12 4470 1 1 19 GLY HA3 H 10.053 1.993 2.734 1.00 . A A . 19 GLY HA3 1 1 12 4471 1 1 19 GLY N N 9.792 3.064 1.024 1.00 . A A . 19 GLY N 1 1 12 4472 1 1 19 GLY O O 12.774 1.532 2.218 1.00 . A A . 19 GLY O 1 1 12 4473 1 1 20 GLU C C 12.546 -0.977 0.123 1.00 . A A . 20 GLU C 1 1 12 4474 1 1 20 GLU CA C 12.529 0.411 -0.446 1.00 . A A . 20 GLU CA 1 1 12 4475 1 1 20 GLU CB C 13.949 1.013 -0.619 1.00 . A A . 20 GLU CB 1 1 12 4476 1 1 20 GLU CD C 14.230 0.224 -3.002 1.00 . A A . 20 GLU CD 1 1 12 4477 1 1 20 GLU CG C 14.859 0.256 -1.610 1.00 . A A . 20 GLU CG 1 1 12 4478 1 1 20 GLU H H 10.725 1.346 -0.184 1.00 . A A . 20 GLU H 1 1 12 4479 1 1 20 GLU HA H 12.098 0.354 -1.434 1.00 . A A . 20 GLU HA 1 1 12 4480 1 1 20 GLU HB2 H 13.841 2.063 -0.971 1.00 . A A . 20 GLU HB2 1 1 12 4481 1 1 20 GLU HB3 H 14.462 1.050 0.366 1.00 . A A . 20 GLU HB3 1 1 12 4482 1 1 20 GLU HG2 H 15.845 0.767 -1.669 1.00 . A A . 20 GLU HG2 1 1 12 4483 1 1 20 GLU HG3 H 15.028 -0.781 -1.249 1.00 . A A . 20 GLU HG3 1 1 12 4484 1 1 20 GLU N N 11.584 1.203 0.301 1.00 . A A . 20 GLU N 1 1 12 4485 1 1 20 GLU O O 13.433 -1.355 0.888 1.00 . A A . 20 GLU O 1 1 12 4486 1 1 20 GLU OE1 O 14.042 1.320 -3.595 1.00 . A A . 20 GLU OE1 1 1 12 4487 1 1 20 GLU OE2 O 13.928 -0.899 -3.491 1.00 . A A . 20 GLU OE2 1 1 12 4488 1 1 21 HIS C C 12.193 -4.063 -0.540 1.00 . A A . 21 HIS C 1 1 12 4489 1 1 21 HIS CA C 11.309 -3.106 0.211 1.00 . A A . 21 HIS CA 1 1 12 4490 1 1 21 HIS CB C 9.840 -3.548 0.064 1.00 . A A . 21 HIS CB 1 1 12 4491 1 1 21 HIS CD2 C 9.458 -4.664 -2.215 1.00 . A A . 21 HIS CD2 1 1 12 4492 1 1 21 HIS CE1 C 8.649 -3.047 -3.353 1.00 . A A . 21 HIS CE1 1 1 12 4493 1 1 21 HIS CG C 9.378 -3.612 -1.364 1.00 . A A . 21 HIS CG 1 1 12 4494 1 1 21 HIS H H 10.781 -1.406 -0.824 1.00 . A A . 21 HIS H 1 1 12 4495 1 1 21 HIS HA H 11.559 -3.153 1.254 1.00 . A A . 21 HIS HA 1 1 12 4496 1 1 21 HIS HB2 H 9.709 -4.556 0.515 1.00 . A A . 21 HIS HB2 1 1 12 4497 1 1 21 HIS HB3 H 9.186 -2.845 0.624 1.00 . A A . 21 HIS HB3 1 1 12 4498 1 1 21 HIS HD1 H 8.687 -1.641 -1.766 1.00 . A A . 21 HIS HD1 1 1 12 4499 1 1 21 HIS HD2 H 9.865 -5.644 -2.015 1.00 . A A . 21 HIS HD2 1 1 12 4500 1 1 21 HIS HE1 H 8.244 -2.435 -4.157 1.00 . A A . 21 HIS HE1 1 1 12 4501 1 1 21 HIS N N 11.511 -1.759 -0.246 1.00 . A A . 21 HIS N 1 1 12 4502 1 1 21 HIS ND1 N 8.863 -2.569 -2.101 1.00 . A A . 21 HIS ND1 1 1 12 4503 1 1 21 HIS NE2 N 8.996 -4.315 -3.470 1.00 . A A . 21 HIS NE2 1 1 12 4504 1 1 21 HIS O O 12.683 -3.760 -1.628 1.00 . A A . 21 HIS O 1 1 12 4505 1 1 22 ILE C C 12.081 -7.299 -1.012 1.00 . A A . 22 ILE C 1 1 12 4506 1 1 22 ILE CA C 13.136 -6.349 -0.535 1.00 . A A . 22 ILE CA 1 1 12 4507 1 1 22 ILE CB C 14.113 -7.016 0.434 1.00 . A A . 22 ILE CB 1 1 12 4508 1 1 22 ILE CD1 C 16.110 -6.507 2.000 1.00 . A A . 22 ILE CD1 1 1 12 4509 1 1 22 ILE CG1 C 15.123 -5.962 0.962 1.00 . A A . 22 ILE CG1 1 1 12 4510 1 1 22 ILE CG2 C 14.821 -8.193 -0.280 1.00 . A A . 22 ILE CG2 1 1 12 4511 1 1 22 ILE H H 12.006 -5.457 0.950 1.00 . A A . 22 ILE H 1 1 12 4512 1 1 22 ILE HA H 13.675 -6.006 -1.393 1.00 . A A . 22 ILE HA 1 1 12 4513 1 1 22 ILE HB H 13.563 -7.415 1.314 1.00 . A A . 22 ILE HB 1 1 12 4514 1 1 22 ILE HD11 H 16.744 -5.682 2.390 1.00 . A A . 22 ILE HD11 1 1 12 4515 1 1 22 ILE HD12 H 16.777 -7.272 1.552 1.00 . A A . 22 ILE HD12 1 1 12 4516 1 1 22 ILE HD13 H 15.563 -6.963 2.851 1.00 . A A . 22 ILE HD13 1 1 12 4517 1 1 22 ILE HG12 H 15.691 -5.546 0.102 1.00 . A A . 22 ILE HG12 1 1 12 4518 1 1 22 ILE HG13 H 14.564 -5.126 1.436 1.00 . A A . 22 ILE HG13 1 1 12 4519 1 1 22 ILE HG21 H 14.092 -8.959 -0.615 1.00 . A A . 22 ILE HG21 1 1 12 4520 1 1 22 ILE HG22 H 15.535 -8.695 0.406 1.00 . A A . 22 ILE HG22 1 1 12 4521 1 1 22 ILE HG23 H 15.380 -7.824 -1.165 1.00 . A A . 22 ILE HG23 1 1 12 4522 1 1 22 ILE N N 12.400 -5.259 0.056 1.00 . A A . 22 ILE N 1 1 12 4523 1 1 22 ILE O O 11.891 -7.485 -2.214 1.00 . A A . 22 ILE O 1 1 12 4524 1 1 23 HIS C C 10.743 -10.179 -0.573 1.00 . A A . 23 HIS C 1 1 12 4525 1 1 23 HIS CA C 10.268 -8.811 -0.151 1.00 . A A . 23 HIS CA 1 1 12 4526 1 1 23 HIS CB C 9.088 -8.311 -1.026 1.00 . A A . 23 HIS CB 1 1 12 4527 1 1 23 HIS CD2 C 6.815 -9.174 -0.106 1.00 . A A . 23 HIS CD2 1 1 12 4528 1 1 23 HIS CE1 C 6.433 -10.778 -1.471 1.00 . A A . 23 HIS CE1 1 1 12 4529 1 1 23 HIS CG C 7.861 -9.184 -0.978 1.00 . A A . 23 HIS CG 1 1 12 4530 1 1 23 HIS H H 11.640 -7.646 0.899 1.00 . A A . 23 HIS H 1 1 12 4531 1 1 23 HIS HA H 9.885 -8.907 0.856 1.00 . A A . 23 HIS HA 1 1 12 4532 1 1 23 HIS HB2 H 8.794 -7.303 -0.661 1.00 . A A . 23 HIS HB2 1 1 12 4533 1 1 23 HIS HB3 H 9.415 -8.204 -2.083 1.00 . A A . 23 HIS HB3 1 1 12 4534 1 1 23 HIS HD1 H 8.195 -10.500 -2.616 1.00 . A A . 23 HIS HD1 1 1 12 4535 1 1 23 HIS HD2 H 6.626 -8.529 0.741 1.00 . A A . 23 HIS HD2 1 1 12 4536 1 1 23 HIS HE1 H 5.991 -11.627 -1.986 1.00 . A A . 23 HIS HE1 1 1 12 4537 1 1 23 HIS N N 11.372 -7.887 -0.027 1.00 . A A . 23 HIS N 1 1 12 4538 1 1 23 HIS ND1 N 7.609 -10.218 -1.853 1.00 . A A . 23 HIS ND1 1 1 12 4539 1 1 23 HIS NE2 N 5.915 -10.178 -0.416 1.00 . A A . 23 HIS NE2 1 1 12 4540 1 1 23 HIS O O 11.512 -10.330 -1.521 1.00 . A A . 23 HIS O 1 1 12 4541 1 1 24 HIS C C 9.606 -13.147 -1.110 1.00 . A A . 24 HIS C 1 1 12 4542 1 1 24 HIS CA C 10.636 -12.593 -0.106 1.00 . A A . 24 HIS CA 1 1 12 4543 1 1 24 HIS CB C 10.612 -13.452 1.182 1.00 . A A . 24 HIS CB 1 1 12 4544 1 1 24 HIS CD2 C 12.326 -15.399 1.286 1.00 . A A . 24 HIS CD2 1 1 12 4545 1 1 24 HIS CE1 C 11.172 -16.986 0.433 1.00 . A A . 24 HIS CE1 1 1 12 4546 1 1 24 HIS CG C 11.109 -14.863 0.994 1.00 . A A . 24 HIS CG 1 1 12 4547 1 1 24 HIS H H 9.655 -11.081 0.919 1.00 . A A . 24 HIS H 1 1 12 4548 1 1 24 HIS HA H 11.634 -12.625 -0.523 1.00 . A A . 24 HIS HA 1 1 12 4549 1 1 24 HIS HB2 H 11.277 -12.969 1.930 1.00 . A A . 24 HIS HB2 1 1 12 4550 1 1 24 HIS HB3 H 9.588 -13.473 1.612 1.00 . A A . 24 HIS HB3 1 1 12 4551 1 1 24 HIS HD1 H 9.427 -15.825 0.115 1.00 . A A . 24 HIS HD1 1 1 12 4552 1 1 24 HIS HD2 H 13.197 -14.931 1.726 1.00 . A A . 24 HIS HD2 1 1 12 4553 1 1 24 HIS HE1 H 10.845 -17.950 0.049 1.00 . A A . 24 HIS HE1 1 1 12 4554 1 1 24 HIS N N 10.279 -11.222 0.156 1.00 . A A . 24 HIS N 1 1 12 4555 1 1 24 HIS ND1 N 10.371 -15.891 0.444 1.00 . A A . 24 HIS ND1 1 1 12 4556 1 1 24 HIS NE2 N 12.367 -16.736 0.934 1.00 . A A . 24 HIS NE2 1 1 12 4557 1 1 24 HIS O O 8.414 -13.245 -0.796 1.00 . A A . 24 HIS O 1 1 12 4558 1 1 25 NH2 HN1 H 9.470 -13.876 -3.029 1.00 . A A . 25 NH2 HN1 1 1 12 4559 1 1 25 NH2 HN2 H 11.065 -13.408 -2.538 1.00 . A A . 25 NH2 HN2 1 1 12 4560 1 1 25 NH2 N N 10.091 -13.511 -2.335 1.00 . A A . 25 NH2 N 1 1 13 4561 1 1 1 ACE C C -6.047 6.268 -10.862 1.00 . A A . 1 ACE C 1 1 13 4562 1 1 1 ACE CH3 C -5.425 7.605 -11.100 1.00 . A A . 1 ACE CH3 1 1 13 4563 1 1 1 ACE H1 H -6.212 8.374 -11.256 1.00 . A A . 1 ACE H1 1 1 13 4564 1 1 1 ACE H2 H -4.805 7.904 -10.226 1.00 . A A . 1 ACE H2 1 1 13 4565 1 1 1 ACE H3 H -4.775 7.575 -12.001 1.00 . A A . 1 ACE H3 1 1 13 4566 1 1 1 ACE O O -5.842 5.331 -11.632 1.00 . A A . 1 ACE O 1 1 13 4567 1 1 2 PHE C C -8.864 4.944 -9.996 1.00 . A A . 2 PHE C 1 1 13 4568 1 1 2 PHE CA C -7.497 4.942 -9.375 1.00 . A A . 2 PHE CA 1 1 13 4569 1 1 2 PHE CB C -7.665 4.801 -7.843 1.00 . A A . 2 PHE CB 1 1 13 4570 1 1 2 PHE CD1 C -5.567 3.574 -7.154 1.00 . A A . 2 PHE CD1 1 1 13 4571 1 1 2 PHE CD2 C -5.778 5.915 -6.573 1.00 . A A . 2 PHE CD2 1 1 13 4572 1 1 2 PHE CE1 C -4.310 3.534 -6.537 1.00 . A A . 2 PHE CE1 1 1 13 4573 1 1 2 PHE CE2 C -4.525 5.874 -5.947 1.00 . A A . 2 PHE CE2 1 1 13 4574 1 1 2 PHE CG C -6.314 4.765 -7.180 1.00 . A A . 2 PHE CG 1 1 13 4575 1 1 2 PHE CZ C -3.791 4.683 -5.929 1.00 . A A . 2 PHE CZ 1 1 13 4576 1 1 2 PHE H H -6.984 6.942 -9.164 1.00 . A A . 2 PHE H 1 1 13 4577 1 1 2 PHE HA H -6.943 4.096 -9.756 1.00 . A A . 2 PHE HA 1 1 13 4578 1 1 2 PHE HB2 H -8.241 5.658 -7.430 1.00 . A A . 2 PHE HB2 1 1 13 4579 1 1 2 PHE HB3 H -8.198 3.858 -7.589 1.00 . A A . 2 PHE HB3 1 1 13 4580 1 1 2 PHE HD1 H -5.963 2.680 -7.609 1.00 . A A . 2 PHE HD1 1 1 13 4581 1 1 2 PHE HD2 H -6.340 6.837 -6.583 1.00 . A A . 2 PHE HD2 1 1 13 4582 1 1 2 PHE HE1 H -3.744 2.615 -6.532 1.00 . A A . 2 PHE HE1 1 1 13 4583 1 1 2 PHE HE2 H -4.126 6.762 -5.480 1.00 . A A . 2 PHE HE2 1 1 13 4584 1 1 2 PHE HZ H -2.825 4.649 -5.448 1.00 . A A . 2 PHE HZ 1 1 13 4585 1 1 2 PHE N N -6.832 6.163 -9.766 1.00 . A A . 2 PHE N 1 1 13 4586 1 1 2 PHE O O -9.443 6.000 -10.248 1.00 . A A . 2 PHE O 1 1 13 4587 1 1 3 GLU C C -11.617 3.088 -9.802 1.00 . A A . 3 GLU C 1 1 13 4588 1 1 3 GLU CA C -10.680 3.534 -10.893 1.00 . A A . 3 GLU CA 1 1 13 4589 1 1 3 GLU CB C -10.609 2.493 -12.040 1.00 . A A . 3 GLU CB 1 1 13 4590 1 1 3 GLU CD C -9.656 1.864 -14.272 1.00 . A A . 3 GLU CD 1 1 13 4591 1 1 3 GLU CG C -9.690 2.943 -13.190 1.00 . A A . 3 GLU CG 1 1 13 4592 1 1 3 GLU H H -8.902 2.893 -10.048 1.00 . A A . 3 GLU H 1 1 13 4593 1 1 3 GLU HA H -11.047 4.469 -11.295 1.00 . A A . 3 GLU HA 1 1 13 4594 1 1 3 GLU HB2 H -10.221 1.527 -11.645 1.00 . A A . 3 GLU HB2 1 1 13 4595 1 1 3 GLU HB3 H -11.630 2.325 -12.449 1.00 . A A . 3 GLU HB3 1 1 13 4596 1 1 3 GLU HG2 H -10.069 3.892 -13.627 1.00 . A A . 3 GLU HG2 1 1 13 4597 1 1 3 GLU HG3 H -8.662 3.116 -12.807 1.00 . A A . 3 GLU HG3 1 1 13 4598 1 1 3 GLU N N -9.397 3.730 -10.266 1.00 . A A . 3 GLU N 1 1 13 4599 1 1 3 GLU O O -11.915 3.852 -8.885 1.00 . A A . 3 GLU O 1 1 13 4600 1 1 3 GLU OE1 O -10.731 1.590 -14.871 1.00 . A A . 3 GLU OE1 1 1 13 4601 1 1 3 GLU OE2 O -8.556 1.299 -14.513 1.00 . A A . 3 GLU OE2 1 1 13 4602 1 1 4 ASP C C -12.007 0.326 -7.995 1.00 . A A . 4 ASP C 1 1 13 4603 1 1 4 ASP CA C -12.904 1.171 -8.872 1.00 . A A . 4 ASP CA 1 1 13 4604 1 1 4 ASP CB C -14.029 0.311 -9.523 1.00 . A A . 4 ASP CB 1 1 13 4605 1 1 4 ASP CG C -13.510 -0.601 -10.645 1.00 . A A . 4 ASP CG 1 1 13 4606 1 1 4 ASP H H -11.838 1.232 -10.640 1.00 . A A . 4 ASP H 1 1 13 4607 1 1 4 ASP HA H -13.367 1.921 -8.247 1.00 . A A . 4 ASP HA 1 1 13 4608 1 1 4 ASP HB2 H -14.559 -0.296 -8.761 1.00 . A A . 4 ASP HB2 1 1 13 4609 1 1 4 ASP HB3 H -14.773 1.011 -9.965 1.00 . A A . 4 ASP HB3 1 1 13 4610 1 1 4 ASP N N -12.082 1.818 -9.871 1.00 . A A . 4 ASP N 1 1 13 4611 1 1 4 ASP O O -12.440 -0.658 -7.397 1.00 . A A . 4 ASP O 1 1 13 4612 1 1 4 ASP OD1 O -12.782 -1.582 -10.335 1.00 . A A . 4 ASP OD1 1 1 13 4613 1 1 4 ASP OD2 O -13.839 -0.322 -11.828 1.00 . A A . 4 ASP OD2 1 1 13 4614 1 1 5 LEU C C -9.708 0.321 -5.761 1.00 . A A . 5 LEU C 1 1 13 4615 1 1 5 LEU CA C -9.675 -0.014 -7.231 1.00 . A A . 5 LEU CA 1 1 13 4616 1 1 5 LEU CB C -8.280 0.394 -7.770 1.00 . A A . 5 LEU CB 1 1 13 4617 1 1 5 LEU CD1 C -6.758 0.760 -9.778 1.00 . A A . 5 LEU CD1 1 1 13 4618 1 1 5 LEU CD2 C -8.208 -1.317 -9.691 1.00 . A A . 5 LEU CD2 1 1 13 4619 1 1 5 LEU CG C -8.092 0.167 -9.290 1.00 . A A . 5 LEU CG 1 1 13 4620 1 1 5 LEU H H -10.406 1.545 -8.367 1.00 . A A . 5 LEU H 1 1 13 4621 1 1 5 LEU HA H -9.857 -1.067 -7.384 1.00 . A A . 5 LEU HA 1 1 13 4622 1 1 5 LEU HB2 H -8.126 1.478 -7.555 1.00 . A A . 5 LEU HB2 1 1 13 4623 1 1 5 LEU HB3 H -7.490 -0.170 -7.228 1.00 . A A . 5 LEU HB3 1 1 13 4624 1 1 5 LEU HD11 H -6.721 1.849 -9.568 1.00 . A A . 5 LEU HD11 1 1 13 4625 1 1 5 LEU HD12 H -6.648 0.612 -10.875 1.00 . A A . 5 LEU HD12 1 1 13 4626 1 1 5 LEU HD13 H -5.904 0.269 -9.265 1.00 . A A . 5 LEU HD13 1 1 13 4627 1 1 5 LEU HD21 H -9.218 -1.715 -9.462 1.00 . A A . 5 LEU HD21 1 1 13 4628 1 1 5 LEU HD22 H -7.452 -1.923 -9.148 1.00 . A A . 5 LEU HD22 1 1 13 4629 1 1 5 LEU HD23 H -8.033 -1.431 -10.782 1.00 . A A . 5 LEU HD23 1 1 13 4630 1 1 5 LEU HG H -8.900 0.719 -9.823 1.00 . A A . 5 LEU HG 1 1 13 4631 1 1 5 LEU N N -10.715 0.719 -7.903 1.00 . A A . 5 LEU N 1 1 13 4632 1 1 5 LEU O O -10.217 1.386 -5.410 1.00 . A A . 5 LEU O 1 1 13 4633 1 1 6 PRO C C -7.750 0.759 -3.404 1.00 . A A . 6 PRO C 1 1 13 4634 1 1 6 PRO CA C -8.949 -0.159 -3.480 1.00 . A A . 6 PRO CA 1 1 13 4635 1 1 6 PRO CB C -8.688 -1.502 -2.779 1.00 . A A . 6 PRO CB 1 1 13 4636 1 1 6 PRO CD C -8.827 -1.914 -5.142 1.00 . A A . 6 PRO CD 1 1 13 4637 1 1 6 PRO CG C -8.132 -2.420 -3.876 1.00 . A A . 6 PRO CG 1 1 13 4638 1 1 6 PRO HA H -9.809 0.347 -3.063 1.00 . A A . 6 PRO HA 1 1 13 4639 1 1 6 PRO HB2 H -8.012 -1.421 -1.905 1.00 . A A . 6 PRO HB2 1 1 13 4640 1 1 6 PRO HB3 H -9.663 -1.917 -2.438 1.00 . A A . 6 PRO HB3 1 1 13 4641 1 1 6 PRO HD2 H -8.148 -1.992 -6.018 1.00 . A A . 6 PRO HD2 1 1 13 4642 1 1 6 PRO HD3 H -9.762 -2.486 -5.327 1.00 . A A . 6 PRO HD3 1 1 13 4643 1 1 6 PRO HG2 H -7.035 -2.264 -3.969 1.00 . A A . 6 PRO HG2 1 1 13 4644 1 1 6 PRO HG3 H -8.337 -3.489 -3.676 1.00 . A A . 6 PRO HG3 1 1 13 4645 1 1 6 PRO N N -9.185 -0.519 -4.867 1.00 . A A . 6 PRO N 1 1 13 4646 1 1 6 PRO O O -6.621 0.282 -3.316 1.00 . A A . 6 PRO O 1 1 13 4647 1 1 7 ASN C C -6.319 3.208 -2.048 1.00 . A A . 7 ASN C 1 1 13 4648 1 1 7 ASN CA C -6.984 3.122 -3.394 1.00 . A A . 7 ASN CA 1 1 13 4649 1 1 7 ASN CB C -7.547 4.514 -3.798 1.00 . A A . 7 ASN CB 1 1 13 4650 1 1 7 ASN CG C -8.682 5.028 -2.892 1.00 . A A . 7 ASN CG 1 1 13 4651 1 1 7 ASN H H -8.925 2.423 -3.545 1.00 . A A . 7 ASN H 1 1 13 4652 1 1 7 ASN HA H -6.226 2.840 -4.105 1.00 . A A . 7 ASN HA 1 1 13 4653 1 1 7 ASN HB2 H -6.716 5.248 -3.818 1.00 . A A . 7 ASN HB2 1 1 13 4654 1 1 7 ASN HB3 H -7.959 4.430 -4.825 1.00 . A A . 7 ASN HB3 1 1 13 4655 1 1 7 ASN HD21 H -7.481 6.550 -2.202 1.00 . A A . 7 ASN HD21 1 1 13 4656 1 1 7 ASN HD22 H -9.076 6.515 -1.526 1.00 . A A . 7 ASN HD22 1 1 13 4657 1 1 7 ASN N N -7.993 2.089 -3.430 1.00 . A A . 7 ASN N 1 1 13 4658 1 1 7 ASN ND2 N -8.387 6.133 -2.141 1.00 . A A . 7 ASN ND2 1 1 13 4659 1 1 7 ASN O O -5.136 3.527 -1.946 1.00 . A A . 7 ASN O 1 1 13 4660 1 1 7 ASN OD1 O -9.784 4.467 -2.866 1.00 . A A . 7 ASN OD1 1 1 13 4661 1 1 8 PHE C C -6.004 1.539 0.704 1.00 . A A . 8 PHE C 1 1 13 4662 1 1 8 PHE CA C -6.682 2.852 0.387 1.00 . A A . 8 PHE CA 1 1 13 4663 1 1 8 PHE CB C -7.877 2.984 1.365 1.00 . A A . 8 PHE CB 1 1 13 4664 1 1 8 PHE CD1 C -7.927 5.506 1.530 1.00 . A A . 8 PHE CD1 1 1 13 4665 1 1 8 PHE CD2 C -9.891 4.362 0.692 1.00 . A A . 8 PHE CD2 1 1 13 4666 1 1 8 PHE CE1 C -8.582 6.735 1.389 1.00 . A A . 8 PHE CE1 1 1 13 4667 1 1 8 PHE CE2 C -10.548 5.590 0.551 1.00 . A A . 8 PHE CE2 1 1 13 4668 1 1 8 PHE CG C -8.574 4.306 1.184 1.00 . A A . 8 PHE CG 1 1 13 4669 1 1 8 PHE CZ C -9.894 6.777 0.900 1.00 . A A . 8 PHE CZ 1 1 13 4670 1 1 8 PHE H H -8.048 2.668 -1.191 1.00 . A A . 8 PHE H 1 1 13 4671 1 1 8 PHE HA H -5.971 3.652 0.551 1.00 . A A . 8 PHE HA 1 1 13 4672 1 1 8 PHE HB2 H -8.609 2.165 1.194 1.00 . A A . 8 PHE HB2 1 1 13 4673 1 1 8 PHE HB3 H -7.529 2.939 2.420 1.00 . A A . 8 PHE HB3 1 1 13 4674 1 1 8 PHE HD1 H -6.919 5.482 1.916 1.00 . A A . 8 PHE HD1 1 1 13 4675 1 1 8 PHE HD2 H -10.402 3.450 0.423 1.00 . A A . 8 PHE HD2 1 1 13 4676 1 1 8 PHE HE1 H -8.077 7.651 1.658 1.00 . A A . 8 PHE HE1 1 1 13 4677 1 1 8 PHE HE2 H -11.559 5.621 0.171 1.00 . A A . 8 PHE HE2 1 1 13 4678 1 1 8 PHE HZ H -10.400 7.725 0.791 1.00 . A A . 8 PHE HZ 1 1 13 4679 1 1 8 PHE N N -7.099 2.891 -0.998 1.00 . A A . 8 PHE N 1 1 13 4680 1 1 8 PHE O O -5.450 1.370 1.789 1.00 . A A . 8 PHE O 1 1 13 4681 1 1 9 GLY C C -3.939 -0.467 -0.769 1.00 . A A . 9 GLY C 1 1 13 4682 1 1 9 GLY CA C -5.293 -0.663 -0.154 1.00 . A A . 9 GLY CA 1 1 13 4683 1 1 9 GLY H H -6.500 0.722 -1.111 1.00 . A A . 9 GLY H 1 1 13 4684 1 1 9 GLY HA2 H -5.179 -0.945 0.883 1.00 . A A . 9 GLY HA2 1 1 13 4685 1 1 9 GLY HA3 H -5.833 -1.389 -0.743 1.00 . A A . 9 GLY HA3 1 1 13 4686 1 1 9 GLY N N -6.020 0.579 -0.249 1.00 . A A . 9 GLY N 1 1 13 4687 1 1 9 GLY O O -2.952 -1.036 -0.309 1.00 . A A . 9 GLY O 1 1 13 4688 1 1 10 HIS C C -1.907 1.783 -2.002 1.00 . A A . 10 HIS C 1 1 13 4689 1 1 10 HIS CA C -2.683 0.636 -2.599 1.00 . A A . 10 HIS CA 1 1 13 4690 1 1 10 HIS CB C -3.004 1.003 -4.067 1.00 . A A . 10 HIS CB 1 1 13 4691 1 1 10 HIS CD2 C -4.843 -0.007 -5.597 1.00 . A A . 10 HIS CD2 1 1 13 4692 1 1 10 HIS CE1 C -4.234 -2.057 -5.631 1.00 . A A . 10 HIS CE1 1 1 13 4693 1 1 10 HIS CG C -3.734 -0.082 -4.812 1.00 . A A . 10 HIS CG 1 1 13 4694 1 1 10 HIS H H -4.700 0.818 -2.175 1.00 . A A . 10 HIS H 1 1 13 4695 1 1 10 HIS HA H -2.055 -0.243 -2.588 1.00 . A A . 10 HIS HA 1 1 13 4696 1 1 10 HIS HB2 H -3.630 1.921 -4.094 1.00 . A A . 10 HIS HB2 1 1 13 4697 1 1 10 HIS HB3 H -2.062 1.207 -4.622 1.00 . A A . 10 HIS HB3 1 1 13 4698 1 1 10 HIS HD1 H -2.553 -1.794 -4.367 1.00 . A A . 10 HIS HD1 1 1 13 4699 1 1 10 HIS HD2 H -5.460 0.848 -5.843 1.00 . A A . 10 HIS HD2 1 1 13 4700 1 1 10 HIS HE1 H -4.170 -3.124 -5.833 1.00 . A A . 10 HIS HE1 1 1 13 4701 1 1 10 HIS N N -3.879 0.363 -1.839 1.00 . A A . 10 HIS N 1 1 13 4702 1 1 10 HIS ND1 N -3.344 -1.404 -4.841 1.00 . A A . 10 HIS ND1 1 1 13 4703 1 1 10 HIS NE2 N -5.161 -1.251 -6.112 1.00 . A A . 10 HIS NE2 1 1 13 4704 1 1 10 HIS O O -0.835 2.121 -2.499 1.00 . A A . 10 HIS O 1 1 13 4705 1 1 11 ILE C C -0.684 2.923 0.681 1.00 . A A . 11 ILE C 1 1 13 4706 1 1 11 ILE CA C -1.763 3.488 -0.215 1.00 . A A . 11 ILE CA 1 1 13 4707 1 1 11 ILE CB C -2.752 4.361 0.565 1.00 . A A . 11 ILE CB 1 1 13 4708 1 1 11 ILE CD1 C -2.299 6.613 -0.593 1.00 . A A . 11 ILE CD1 1 1 13 4709 1 1 11 ILE CG1 C -2.259 5.821 0.717 1.00 . A A . 11 ILE CG1 1 1 13 4710 1 1 11 ILE CG2 C -3.132 3.742 1.930 1.00 . A A . 11 ILE CG2 1 1 13 4711 1 1 11 ILE H H -3.290 2.109 -0.514 1.00 . A A . 11 ILE H 1 1 13 4712 1 1 11 ILE HA H -1.284 4.095 -0.971 1.00 . A A . 11 ILE HA 1 1 13 4713 1 1 11 ILE HB H -3.692 4.411 -0.033 1.00 . A A . 11 ILE HB 1 1 13 4714 1 1 11 ILE HD11 H -1.589 6.195 -1.336 1.00 . A A . 11 ILE HD11 1 1 13 4715 1 1 11 ILE HD12 H -2.027 7.675 -0.409 1.00 . A A . 11 ILE HD12 1 1 13 4716 1 1 11 ILE HD13 H -3.324 6.580 -1.023 1.00 . A A . 11 ILE HD13 1 1 13 4717 1 1 11 ILE HG12 H -2.925 6.335 1.447 1.00 . A A . 11 ILE HG12 1 1 13 4718 1 1 11 ILE HG13 H -1.230 5.829 1.135 1.00 . A A . 11 ILE HG13 1 1 13 4719 1 1 11 ILE HG21 H -2.290 3.822 2.649 1.00 . A A . 11 ILE HG21 1 1 13 4720 1 1 11 ILE HG22 H -3.394 2.673 1.809 1.00 . A A . 11 ILE HG22 1 1 13 4721 1 1 11 ILE HG23 H -4.005 4.277 2.359 1.00 . A A . 11 ILE HG23 1 1 13 4722 1 1 11 ILE N N -2.419 2.397 -0.904 1.00 . A A . 11 ILE N 1 1 13 4723 1 1 11 ILE O O 0.283 3.603 1.013 1.00 . A A . 11 ILE O 1 1 13 4724 1 1 12 GLN C C 1.251 0.453 1.033 1.00 . A A . 12 GLN C 1 1 13 4725 1 1 12 GLN CA C 0.090 0.889 1.880 1.00 . A A . 12 GLN CA 1 1 13 4726 1 1 12 GLN CB C -0.575 -0.378 2.465 1.00 . A A . 12 GLN CB 1 1 13 4727 1 1 12 GLN CD C -2.433 -1.367 3.820 1.00 . A A . 12 GLN CD 1 1 13 4728 1 1 12 GLN CG C -1.812 -0.057 3.321 1.00 . A A . 12 GLN CG 1 1 13 4729 1 1 12 GLN H H -1.628 1.109 0.763 1.00 . A A . 12 GLN H 1 1 13 4730 1 1 12 GLN HA H 0.445 1.528 2.678 1.00 . A A . 12 GLN HA 1 1 13 4731 1 1 12 GLN HB2 H -0.887 -1.046 1.630 1.00 . A A . 12 GLN HB2 1 1 13 4732 1 1 12 GLN HB3 H 0.166 -0.927 3.088 1.00 . A A . 12 GLN HB3 1 1 13 4733 1 1 12 GLN HE21 H -4.089 -1.092 2.630 1.00 . A A . 12 GLN HE21 1 1 13 4734 1 1 12 GLN HE22 H -4.107 -2.540 3.581 1.00 . A A . 12 GLN HE22 1 1 13 4735 1 1 12 GLN HG2 H -1.512 0.557 4.197 1.00 . A A . 12 GLN HG2 1 1 13 4736 1 1 12 GLN HG3 H -2.556 0.517 2.728 1.00 . A A . 12 GLN HG3 1 1 13 4737 1 1 12 GLN N N -0.832 1.630 1.060 1.00 . A A . 12 GLN N 1 1 13 4738 1 1 12 GLN NE2 N -3.653 -1.696 3.296 1.00 . A A . 12 GLN NE2 1 1 13 4739 1 1 12 GLN O O 2.390 0.427 1.492 1.00 . A A . 12 GLN O 1 1 13 4740 1 1 12 GLN OE1 O -1.837 -2.069 4.646 1.00 . A A . 12 GLN OE1 1 1 13 4741 1 1 13 VAL C C 2.829 0.761 -1.650 1.00 . A A . 13 VAL C 1 1 13 4742 1 1 13 VAL CA C 1.911 -0.356 -1.233 1.00 . A A . 13 VAL CA 1 1 13 4743 1 1 13 VAL CB C 1.211 -0.967 -2.446 1.00 . A A . 13 VAL CB 1 1 13 4744 1 1 13 VAL CG1 C 2.235 -1.561 -3.438 1.00 . A A . 13 VAL CG1 1 1 13 4745 1 1 13 VAL CG2 C 0.236 -2.058 -1.953 1.00 . A A . 13 VAL CG2 1 1 13 4746 1 1 13 VAL H H 0.026 0.183 -0.584 1.00 . A A . 13 VAL H 1 1 13 4747 1 1 13 VAL HA H 2.512 -1.100 -0.752 1.00 . A A . 13 VAL HA 1 1 13 4748 1 1 13 VAL HB H 0.617 -0.187 -2.973 1.00 . A A . 13 VAL HB 1 1 13 4749 1 1 13 VAL HG11 H 2.895 -2.289 -2.922 1.00 . A A . 13 VAL HG11 1 1 13 4750 1 1 13 VAL HG12 H 2.861 -0.766 -3.891 1.00 . A A . 13 VAL HG12 1 1 13 4751 1 1 13 VAL HG13 H 1.704 -2.087 -4.260 1.00 . A A . 13 VAL HG13 1 1 13 4752 1 1 13 VAL HG21 H -0.569 -1.628 -1.322 1.00 . A A . 13 VAL HG21 1 1 13 4753 1 1 13 VAL HG22 H 0.781 -2.825 -1.363 1.00 . A A . 13 VAL HG22 1 1 13 4754 1 1 13 VAL HG23 H -0.243 -2.557 -2.822 1.00 . A A . 13 VAL HG23 1 1 13 4755 1 1 13 VAL N N 0.963 0.123 -0.251 1.00 . A A . 13 VAL N 1 1 13 4756 1 1 13 VAL O O 4.000 0.543 -1.950 1.00 . A A . 13 VAL O 1 1 13 4757 1 1 14 LYS C C 4.097 3.526 -0.975 1.00 . A A . 14 LYS C 1 1 13 4758 1 1 14 LYS CA C 2.986 3.223 -1.952 1.00 . A A . 14 LYS CA 1 1 13 4759 1 1 14 LYS CB C 1.989 4.408 -1.954 1.00 . A A . 14 LYS CB 1 1 13 4760 1 1 14 LYS CD C 2.654 5.455 -4.188 1.00 . A A . 14 LYS CD 1 1 13 4761 1 1 14 LYS CE C 3.067 6.716 -4.961 1.00 . A A . 14 LYS CE 1 1 13 4762 1 1 14 LYS CG C 2.481 5.672 -2.675 1.00 . A A . 14 LYS CG 1 1 13 4763 1 1 14 LYS H H 1.346 2.102 -1.368 1.00 . A A . 14 LYS H 1 1 13 4764 1 1 14 LYS HA H 3.416 3.081 -2.933 1.00 . A A . 14 LYS HA 1 1 13 4765 1 1 14 LYS HB2 H 1.057 4.078 -2.468 1.00 . A A . 14 LYS HB2 1 1 13 4766 1 1 14 LYS HB3 H 1.709 4.667 -0.911 1.00 . A A . 14 LYS HB3 1 1 13 4767 1 1 14 LYS HD2 H 3.433 4.678 -4.346 1.00 . A A . 14 LYS HD2 1 1 13 4768 1 1 14 LYS HD3 H 1.699 5.054 -4.596 1.00 . A A . 14 LYS HD3 1 1 13 4769 1 1 14 LYS HE2 H 4.004 7.139 -4.543 1.00 . A A . 14 LYS HE2 1 1 13 4770 1 1 14 LYS HE3 H 3.221 6.474 -6.033 1.00 . A A . 14 LYS HE3 1 1 13 4771 1 1 14 LYS HG2 H 1.726 6.473 -2.511 1.00 . A A . 14 LYS HG2 1 1 13 4772 1 1 14 LYS HG3 H 3.441 6.014 -2.233 1.00 . A A . 14 LYS HG3 1 1 13 4773 1 1 14 LYS HZ1 H 1.865 8.024 -3.891 1.00 . A A . 14 LYS HZ1 1 1 13 4774 1 1 14 LYS HZ2 H 1.137 7.402 -5.294 1.00 . A A . 14 LYS HZ2 1 1 13 4775 1 1 14 LYS HZ3 H 2.333 8.602 -5.418 1.00 . A A . 14 LYS HZ3 1 1 13 4776 1 1 14 LYS N N 2.301 2.000 -1.621 1.00 . A A . 14 LYS N 1 1 13 4777 1 1 14 LYS NZ N 2.023 7.765 -4.886 1.00 . A A . 14 LYS NZ 1 1 13 4778 1 1 14 LYS O O 5.155 4.017 -1.362 1.00 . A A . 14 LYS O 1 1 13 4779 1 1 15 VAL C C 5.901 2.374 1.337 1.00 . A A . 15 VAL C 1 1 13 4780 1 1 15 VAL CA C 4.807 3.414 1.410 1.00 . A A . 15 VAL CA 1 1 13 4781 1 1 15 VAL CB C 4.107 3.366 2.768 1.00 . A A . 15 VAL CB 1 1 13 4782 1 1 15 VAL CG1 C 5.107 3.467 3.942 1.00 . A A . 15 VAL CG1 1 1 13 4783 1 1 15 VAL CG2 C 3.094 4.529 2.828 1.00 . A A . 15 VAL CG2 1 1 13 4784 1 1 15 VAL H H 3.004 2.799 0.599 1.00 . A A . 15 VAL H 1 1 13 4785 1 1 15 VAL HA H 5.259 4.387 1.283 1.00 . A A . 15 VAL HA 1 1 13 4786 1 1 15 VAL HB H 3.547 2.408 2.865 1.00 . A A . 15 VAL HB 1 1 13 4787 1 1 15 VAL HG11 H 4.553 3.540 4.902 1.00 . A A . 15 VAL HG11 1 1 13 4788 1 1 15 VAL HG12 H 5.742 4.370 3.832 1.00 . A A . 15 VAL HG12 1 1 13 4789 1 1 15 VAL HG13 H 5.758 2.571 3.994 1.00 . A A . 15 VAL HG13 1 1 13 4790 1 1 15 VAL HG21 H 2.551 4.510 3.797 1.00 . A A . 15 VAL HG21 1 1 13 4791 1 1 15 VAL HG22 H 2.350 4.460 2.011 1.00 . A A . 15 VAL HG22 1 1 13 4792 1 1 15 VAL HG23 H 3.623 5.502 2.741 1.00 . A A . 15 VAL HG23 1 1 13 4793 1 1 15 VAL N N 3.871 3.208 0.325 1.00 . A A . 15 VAL N 1 1 13 4794 1 1 15 VAL O O 7.049 2.655 1.679 1.00 . A A . 15 VAL O 1 1 13 4795 1 1 16 PHE C C 7.478 0.292 -0.401 1.00 . A A . 16 PHE C 1 1 13 4796 1 1 16 PHE CA C 6.525 0.056 0.746 1.00 . A A . 16 PHE CA 1 1 13 4797 1 1 16 PHE CB C 5.848 -1.324 0.508 1.00 . A A . 16 PHE CB 1 1 13 4798 1 1 16 PHE CD1 C 4.946 -1.298 2.922 1.00 . A A . 16 PHE CD1 1 1 13 4799 1 1 16 PHE CD2 C 3.768 -2.538 1.210 1.00 . A A . 16 PHE CD2 1 1 13 4800 1 1 16 PHE CE1 C 3.973 -1.673 3.858 1.00 . A A . 16 PHE CE1 1 1 13 4801 1 1 16 PHE CE2 C 2.795 -2.913 2.144 1.00 . A A . 16 PHE CE2 1 1 13 4802 1 1 16 PHE CG C 4.845 -1.709 1.575 1.00 . A A . 16 PHE CG 1 1 13 4803 1 1 16 PHE CZ C 2.896 -2.476 3.469 1.00 . A A . 16 PHE CZ 1 1 13 4804 1 1 16 PHE H H 4.648 0.937 0.565 1.00 . A A . 16 PHE H 1 1 13 4805 1 1 16 PHE HA H 7.104 0.019 1.658 1.00 . A A . 16 PHE HA 1 1 13 4806 1 1 16 PHE HB2 H 5.315 -1.310 -0.469 1.00 . A A . 16 PHE HB2 1 1 13 4807 1 1 16 PHE HB3 H 6.617 -2.125 0.481 1.00 . A A . 16 PHE HB3 1 1 13 4808 1 1 16 PHE HD1 H 5.768 -0.684 3.255 1.00 . A A . 16 PHE HD1 1 1 13 4809 1 1 16 PHE HD2 H 3.679 -2.880 0.189 1.00 . A A . 16 PHE HD2 1 1 13 4810 1 1 16 PHE HE1 H 4.057 -1.342 4.883 1.00 . A A . 16 PHE HE1 1 1 13 4811 1 1 16 PHE HE2 H 1.967 -3.536 1.841 1.00 . A A . 16 PHE HE2 1 1 13 4812 1 1 16 PHE HZ H 2.145 -2.761 4.190 1.00 . A A . 16 PHE HZ 1 1 13 4813 1 1 16 PHE N N 5.579 1.148 0.856 1.00 . A A . 16 PHE N 1 1 13 4814 1 1 16 PHE O O 8.633 -0.125 -0.341 1.00 . A A . 16 PHE O 1 1 13 4815 1 1 17 ASN C C 8.665 2.506 -2.372 1.00 . A A . 17 ASN C 1 1 13 4816 1 1 17 ASN CA C 7.782 1.314 -2.642 1.00 . A A . 17 ASN CA 1 1 13 4817 1 1 17 ASN CB C 6.887 1.682 -3.855 1.00 . A A . 17 ASN CB 1 1 13 4818 1 1 17 ASN CG C 6.064 0.472 -4.320 1.00 . A A . 17 ASN CG 1 1 13 4819 1 1 17 ASN H H 6.067 1.317 -1.477 1.00 . A A . 17 ASN H 1 1 13 4820 1 1 17 ASN HA H 8.415 0.471 -2.888 1.00 . A A . 17 ASN HA 1 1 13 4821 1 1 17 ASN HB2 H 6.201 2.511 -3.574 1.00 . A A . 17 ASN HB2 1 1 13 4822 1 1 17 ASN HB3 H 7.517 2.015 -4.708 1.00 . A A . 17 ASN HB3 1 1 13 4823 1 1 17 ASN HD21 H 4.789 1.716 -5.352 1.00 . A A . 17 ASN HD21 1 1 13 4824 1 1 17 ASN HD22 H 4.408 0.029 -5.459 1.00 . A A . 17 ASN HD22 1 1 13 4825 1 1 17 ASN N N 7.008 0.991 -1.462 1.00 . A A . 17 ASN N 1 1 13 4826 1 1 17 ASN ND2 N 4.991 0.766 -5.117 1.00 . A A . 17 ASN ND2 1 1 13 4827 1 1 17 ASN O O 9.700 2.668 -3.015 1.00 . A A . 17 ASN O 1 1 13 4828 1 1 17 ASN OD1 O 6.366 -0.682 -3.997 1.00 . A A . 17 ASN OD1 1 1 13 4829 1 1 18 HIS C C 10.150 4.149 -0.112 1.00 . A A . 18 HIS C 1 1 13 4830 1 1 18 HIS CA C 9.005 4.544 -1.010 1.00 . A A . 18 HIS CA 1 1 13 4831 1 1 18 HIS CB C 8.101 5.548 -0.254 1.00 . A A . 18 HIS CB 1 1 13 4832 1 1 18 HIS CD2 C 9.796 7.515 -0.502 1.00 . A A . 18 HIS CD2 1 1 13 4833 1 1 18 HIS CE1 C 9.143 8.772 1.101 1.00 . A A . 18 HIS CE1 1 1 13 4834 1 1 18 HIS CG C 8.764 6.857 0.095 1.00 . A A . 18 HIS CG 1 1 13 4835 1 1 18 HIS H H 7.425 3.207 -0.896 1.00 . A A . 18 HIS H 1 1 13 4836 1 1 18 HIS HA H 9.399 5.012 -1.902 1.00 . A A . 18 HIS HA 1 1 13 4837 1 1 18 HIS HB2 H 7.220 5.781 -0.890 1.00 . A A . 18 HIS HB2 1 1 13 4838 1 1 18 HIS HB3 H 7.722 5.073 0.677 1.00 . A A . 18 HIS HB3 1 1 13 4839 1 1 18 HIS HD1 H 7.590 7.486 1.753 1.00 . A A . 18 HIS HD1 1 1 13 4840 1 1 18 HIS HD2 H 10.399 7.234 -1.356 1.00 . A A . 18 HIS HD2 1 1 13 4841 1 1 18 HIS HE1 H 9.036 9.591 1.810 1.00 . A A . 18 HIS HE1 1 1 13 4842 1 1 18 HIS N N 8.271 3.364 -1.402 1.00 . A A . 18 HIS N 1 1 13 4843 1 1 18 HIS ND1 N 8.344 7.675 1.122 1.00 . A A . 18 HIS ND1 1 1 13 4844 1 1 18 HIS NE2 N 10.038 8.721 0.134 1.00 . A A . 18 HIS NE2 1 1 13 4845 1 1 18 HIS O O 11.232 4.729 -0.184 1.00 . A A . 18 HIS O 1 1 13 4846 1 1 19 GLY C C 11.895 1.714 1.002 1.00 . A A . 19 GLY C 1 1 13 4847 1 1 19 GLY CA C 10.906 2.618 1.682 1.00 . A A . 19 GLY CA 1 1 13 4848 1 1 19 GLY H H 9.043 2.665 0.773 1.00 . A A . 19 GLY H 1 1 13 4849 1 1 19 GLY HA2 H 11.436 3.456 2.114 1.00 . A A . 19 GLY HA2 1 1 13 4850 1 1 19 GLY HA3 H 10.363 2.035 2.411 1.00 . A A . 19 GLY HA3 1 1 13 4851 1 1 19 GLY N N 9.928 3.123 0.746 1.00 . A A . 19 GLY N 1 1 13 4852 1 1 19 GLY O O 12.986 1.485 1.518 1.00 . A A . 19 GLY O 1 1 13 4853 1 1 20 GLU C C 13.314 1.330 -1.759 1.00 . A A . 20 GLU C 1 1 13 4854 1 1 20 GLU CA C 12.384 0.394 -1.035 1.00 . A A . 20 GLU CA 1 1 13 4855 1 1 20 GLU CB C 11.563 -0.421 -2.065 1.00 . A A . 20 GLU CB 1 1 13 4856 1 1 20 GLU CD C 11.521 -2.114 -3.955 1.00 . A A . 20 GLU CD 1 1 13 4857 1 1 20 GLU CG C 12.407 -1.320 -2.991 1.00 . A A . 20 GLU CG 1 1 13 4858 1 1 20 GLU H H 10.626 1.380 -0.574 1.00 . A A . 20 GLU H 1 1 13 4859 1 1 20 GLU HA H 12.962 -0.277 -0.415 1.00 . A A . 20 GLU HA 1 1 13 4860 1 1 20 GLU HB2 H 10.861 -1.070 -1.495 1.00 . A A . 20 GLU HB2 1 1 13 4861 1 1 20 GLU HB3 H 10.951 0.273 -2.680 1.00 . A A . 20 GLU HB3 1 1 13 4862 1 1 20 GLU HG2 H 13.109 -0.697 -3.586 1.00 . A A . 20 GLU HG2 1 1 13 4863 1 1 20 GLU HG3 H 12.999 -2.029 -2.374 1.00 . A A . 20 GLU HG3 1 1 13 4864 1 1 20 GLU N N 11.527 1.192 -0.193 1.00 . A A . 20 GLU N 1 1 13 4865 1 1 20 GLU O O 14.533 1.180 -1.686 1.00 . A A . 20 GLU O 1 1 13 4866 1 1 20 GLU OE1 O 10.272 -1.953 -3.914 1.00 . A A . 20 GLU OE1 1 1 13 4867 1 1 20 GLU OE2 O 12.098 -2.898 -4.756 1.00 . A A . 20 GLU OE2 1 1 13 4868 1 1 21 HIS C C 14.171 2.844 -4.336 1.00 . A A . 21 HIS C 1 1 13 4869 1 1 21 HIS CA C 13.397 3.396 -3.161 1.00 . A A . 21 HIS CA 1 1 13 4870 1 1 21 HIS CB C 14.243 4.295 -2.216 1.00 . A A . 21 HIS CB 1 1 13 4871 1 1 21 HIS CD2 C 13.783 6.629 -3.256 1.00 . A A . 21 HIS CD2 1 1 13 4872 1 1 21 HIS CE1 C 15.775 7.402 -3.367 1.00 . A A . 21 HIS CE1 1 1 13 4873 1 1 21 HIS CG C 14.595 5.648 -2.774 1.00 . A A . 21 HIS CG 1 1 13 4874 1 1 21 HIS H H 11.729 2.411 -2.469 1.00 . A A . 21 HIS H 1 1 13 4875 1 1 21 HIS HA H 12.602 4.007 -3.562 1.00 . A A . 21 HIS HA 1 1 13 4876 1 1 21 HIS HB2 H 13.639 4.476 -1.301 1.00 . A A . 21 HIS HB2 1 1 13 4877 1 1 21 HIS HB3 H 15.163 3.756 -1.903 1.00 . A A . 21 HIS HB3 1 1 13 4878 1 1 21 HIS HD1 H 16.710 5.687 -2.546 1.00 . A A . 21 HIS HD1 1 1 13 4879 1 1 21 HIS HD2 H 12.706 6.642 -3.363 1.00 . A A . 21 HIS HD2 1 1 13 4880 1 1 21 HIS HE1 H 16.638 8.043 -3.533 1.00 . A A . 21 HIS HE1 1 1 13 4881 1 1 21 HIS N N 12.722 2.334 -2.455 1.00 . A A . 21 HIS N 1 1 13 4882 1 1 21 HIS ND1 N 15.876 6.154 -2.845 1.00 . A A . 21 HIS ND1 1 1 13 4883 1 1 21 HIS NE2 N 14.525 7.734 -3.632 1.00 . A A . 21 HIS NE2 1 1 13 4884 1 1 21 HIS O O 13.761 1.858 -4.946 1.00 . A A . 21 HIS O 1 1 13 4885 1 1 22 ILE C C 17.340 2.414 -4.877 1.00 . A A . 22 ILE C 1 1 13 4886 1 1 22 ILE CA C 16.239 3.031 -5.681 1.00 . A A . 22 ILE CA 1 1 13 4887 1 1 22 ILE CB C 16.755 4.134 -6.611 1.00 . A A . 22 ILE CB 1 1 13 4888 1 1 22 ILE CD1 C 14.847 5.911 -6.719 1.00 . A A . 22 ILE CD1 1 1 13 4889 1 1 22 ILE CG1 C 15.608 4.787 -7.432 1.00 . A A . 22 ILE CG1 1 1 13 4890 1 1 22 ILE CG2 C 17.802 3.530 -7.579 1.00 . A A . 22 ILE CG2 1 1 13 4891 1 1 22 ILE H H 15.602 4.300 -4.180 1.00 . A A . 22 ILE H 1 1 13 4892 1 1 22 ILE HA H 15.797 2.257 -6.270 1.00 . A A . 22 ILE HA 1 1 13 4893 1 1 22 ILE HB H 17.249 4.943 -6.029 1.00 . A A . 22 ILE HB 1 1 13 4894 1 1 22 ILE HD11 H 15.555 6.678 -6.341 1.00 . A A . 22 ILE HD11 1 1 13 4895 1 1 22 ILE HD12 H 14.255 5.521 -5.866 1.00 . A A . 22 ILE HD12 1 1 13 4896 1 1 22 ILE HD13 H 14.144 6.401 -7.427 1.00 . A A . 22 ILE HD13 1 1 13 4897 1 1 22 ILE HG12 H 16.063 5.235 -8.345 1.00 . A A . 22 ILE HG12 1 1 13 4898 1 1 22 ILE HG13 H 14.899 3.999 -7.764 1.00 . A A . 22 ILE HG13 1 1 13 4899 1 1 22 ILE HG21 H 18.692 3.155 -7.032 1.00 . A A . 22 ILE HG21 1 1 13 4900 1 1 22 ILE HG22 H 18.146 4.304 -8.297 1.00 . A A . 22 ILE HG22 1 1 13 4901 1 1 22 ILE HG23 H 17.355 2.691 -8.153 1.00 . A A . 22 ILE HG23 1 1 13 4902 1 1 22 ILE N N 15.315 3.482 -4.673 1.00 . A A . 22 ILE N 1 1 13 4903 1 1 22 ILE O O 17.496 1.195 -4.819 1.00 . A A . 22 ILE O 1 1 13 4904 1 1 23 HIS C C 19.242 4.144 -2.394 1.00 . A A . 23 HIS C 1 1 13 4905 1 1 23 HIS CA C 19.142 2.948 -3.294 1.00 . A A . 23 HIS CA 1 1 13 4906 1 1 23 HIS CB C 20.488 2.610 -3.991 1.00 . A A . 23 HIS CB 1 1 13 4907 1 1 23 HIS CD2 C 21.593 1.967 -1.712 1.00 . A A . 23 HIS CD2 1 1 13 4908 1 1 23 HIS CE1 C 23.559 1.467 -2.388 1.00 . A A . 23 HIS CE1 1 1 13 4909 1 1 23 HIS CG C 21.588 2.166 -3.060 1.00 . A A . 23 HIS CG 1 1 13 4910 1 1 23 HIS H H 17.888 4.255 -4.319 1.00 . A A . 23 HIS H 1 1 13 4911 1 1 23 HIS HA H 18.798 2.113 -2.706 1.00 . A A . 23 HIS HA 1 1 13 4912 1 1 23 HIS HB2 H 20.303 1.767 -4.694 1.00 . A A . 23 HIS HB2 1 1 13 4913 1 1 23 HIS HB3 H 20.839 3.473 -4.597 1.00 . A A . 23 HIS HB3 1 1 13 4914 1 1 23 HIS HD1 H 23.184 1.867 -4.435 1.00 . A A . 23 HIS HD1 1 1 13 4915 1 1 23 HIS HD2 H 20.800 2.095 -0.986 1.00 . A A . 23 HIS HD2 1 1 13 4916 1 1 23 HIS HE1 H 24.601 1.156 -2.432 1.00 . A A . 23 HIS HE1 1 1 13 4917 1 1 23 HIS N N 18.101 3.293 -4.211 1.00 . A A . 23 HIS N 1 1 13 4918 1 1 23 HIS ND1 N 22.857 1.838 -3.488 1.00 . A A . 23 HIS ND1 1 1 13 4919 1 1 23 HIS NE2 N 22.834 1.529 -1.288 1.00 . A A . 23 HIS NE2 1 1 13 4920 1 1 23 HIS O O 18.498 4.251 -1.421 1.00 . A A . 23 HIS O 1 1 13 4921 1 1 24 HIS C C 19.260 7.329 -2.393 1.00 . A A . 24 HIS C 1 1 13 4922 1 1 24 HIS CA C 20.338 6.311 -1.967 1.00 . A A . 24 HIS CA 1 1 13 4923 1 1 24 HIS CB C 21.733 6.951 -2.169 1.00 . A A . 24 HIS CB 1 1 13 4924 1 1 24 HIS CD2 C 23.541 6.153 -0.492 1.00 . A A . 24 HIS CD2 1 1 13 4925 1 1 24 HIS CE1 C 24.372 4.501 -1.569 1.00 . A A . 24 HIS CE1 1 1 13 4926 1 1 24 HIS CG C 22.859 6.091 -1.668 1.00 . A A . 24 HIS CG 1 1 13 4927 1 1 24 HIS H H 20.752 4.982 -3.506 1.00 . A A . 24 HIS H 1 1 13 4928 1 1 24 HIS HA H 20.210 6.095 -0.915 1.00 . A A . 24 HIS HA 1 1 13 4929 1 1 24 HIS HB2 H 21.903 7.170 -3.245 1.00 . A A . 24 HIS HB2 1 1 13 4930 1 1 24 HIS HB3 H 21.774 7.912 -1.612 1.00 . A A . 24 HIS HB3 1 1 13 4931 1 1 24 HIS HD1 H 23.112 4.702 -3.260 1.00 . A A . 24 HIS HD1 1 1 13 4932 1 1 24 HIS HD2 H 23.428 6.841 0.336 1.00 . A A . 24 HIS HD2 1 1 13 4933 1 1 24 HIS HE1 H 24.964 3.637 -1.863 1.00 . A A . 24 HIS HE1 1 1 13 4934 1 1 24 HIS N N 20.156 5.090 -2.715 1.00 . A A . 24 HIS N 1 1 13 4935 1 1 24 HIS ND1 N 23.398 5.025 -2.356 1.00 . A A . 24 HIS ND1 1 1 13 4936 1 1 24 HIS NE2 N 24.495 5.151 -0.428 1.00 . A A . 24 HIS NE2 1 1 13 4937 1 1 24 HIS O O 18.476 7.787 -1.554 1.00 . A A . 24 HIS O 1 1 13 4938 1 1 25 NH2 HN1 H 18.553 8.333 -4.043 1.00 . A A . 25 NH2 HN1 1 1 13 4939 1 1 25 NH2 HN2 H 19.889 7.274 -4.351 1.00 . A A . 25 NH2 HN2 1 1 13 4940 1 1 25 NH2 N N 19.231 7.675 -3.715 1.00 . A A . 25 NH2 N 1 1 14 4941 1 1 1 ACE C C -21.042 -2.240 -0.047 1.00 . A A . 1 ACE C 1 1 14 4942 1 1 1 ACE CH3 C -22.492 -2.267 -0.401 1.00 . A A . 1 ACE CH3 1 1 14 4943 1 1 1 ACE H1 H -22.682 -1.640 -1.299 1.00 . A A . 1 ACE H1 1 1 14 4944 1 1 1 ACE H2 H -22.816 -3.308 -0.620 1.00 . A A . 1 ACE H2 1 1 14 4945 1 1 1 ACE H3 H -23.104 -1.876 0.441 1.00 . A A . 1 ACE H3 1 1 14 4946 1 1 1 ACE O O -20.669 -1.827 1.050 1.00 . A A . 1 ACE O 1 1 14 4947 1 1 2 PHE C C -18.163 -1.515 -1.428 1.00 . A A . 2 PHE C 1 1 14 4948 1 1 2 PHE CA C -18.757 -2.754 -0.822 1.00 . A A . 2 PHE CA 1 1 14 4949 1 1 2 PHE CB C -18.116 -3.982 -1.517 1.00 . A A . 2 PHE CB 1 1 14 4950 1 1 2 PHE CD1 C -18.321 -5.657 0.362 1.00 . A A . 2 PHE CD1 1 1 14 4951 1 1 2 PHE CD2 C -19.575 -6.047 -1.672 1.00 . A A . 2 PHE CD2 1 1 14 4952 1 1 2 PHE CE1 C -18.849 -6.831 0.914 1.00 . A A . 2 PHE CE1 1 1 14 4953 1 1 2 PHE CE2 C -20.106 -7.220 -1.123 1.00 . A A . 2 PHE CE2 1 1 14 4954 1 1 2 PHE CG C -18.679 -5.251 -0.935 1.00 . A A . 2 PHE CG 1 1 14 4955 1 1 2 PHE CZ C -19.742 -7.613 0.172 1.00 . A A . 2 PHE CZ 1 1 14 4956 1 1 2 PHE H H -20.524 -3.017 -1.876 1.00 . A A . 2 PHE H 1 1 14 4957 1 1 2 PHE HA H -18.518 -2.769 0.234 1.00 . A A . 2 PHE HA 1 1 14 4958 1 1 2 PHE HB2 H -18.325 -3.965 -2.609 1.00 . A A . 2 PHE HB2 1 1 14 4959 1 1 2 PHE HB3 H -17.017 -4.004 -1.362 1.00 . A A . 2 PHE HB3 1 1 14 4960 1 1 2 PHE HD1 H -17.634 -5.059 0.942 1.00 . A A . 2 PHE HD1 1 1 14 4961 1 1 2 PHE HD2 H -19.862 -5.748 -2.670 1.00 . A A . 2 PHE HD2 1 1 14 4962 1 1 2 PHE HE1 H -18.568 -7.132 1.912 1.00 . A A . 2 PHE HE1 1 1 14 4963 1 1 2 PHE HE2 H -20.794 -7.823 -1.697 1.00 . A A . 2 PHE HE2 1 1 14 4964 1 1 2 PHE HZ H -20.150 -8.518 0.597 1.00 . A A . 2 PHE HZ 1 1 14 4965 1 1 2 PHE N N -20.189 -2.692 -0.994 1.00 . A A . 2 PHE N 1 1 14 4966 1 1 2 PHE O O -18.848 -0.739 -2.093 1.00 . A A . 2 PHE O 1 1 14 4967 1 1 3 GLU C C -15.612 -0.655 -3.113 1.00 . A A . 3 GLU C 1 1 14 4968 1 1 3 GLU CA C -16.090 -0.217 -1.755 1.00 . A A . 3 GLU CA 1 1 14 4969 1 1 3 GLU CB C -14.882 0.173 -0.866 1.00 . A A . 3 GLU CB 1 1 14 4970 1 1 3 GLU CD C -12.888 1.720 -0.508 1.00 . A A . 3 GLU CD 1 1 14 4971 1 1 3 GLU CG C -14.089 1.386 -1.397 1.00 . A A . 3 GLU CG 1 1 14 4972 1 1 3 GLU H H -16.317 -1.950 -0.643 1.00 . A A . 3 GLU H 1 1 14 4973 1 1 3 GLU HA H -16.739 0.642 -1.867 1.00 . A A . 3 GLU HA 1 1 14 4974 1 1 3 GLU HB2 H -15.273 0.428 0.145 1.00 . A A . 3 GLU HB2 1 1 14 4975 1 1 3 GLU HB3 H -14.203 -0.699 -0.749 1.00 . A A . 3 GLU HB3 1 1 14 4976 1 1 3 GLU HG2 H -13.717 1.168 -2.420 1.00 . A A . 3 GLU HG2 1 1 14 4977 1 1 3 GLU HG3 H -14.760 2.270 -1.448 1.00 . A A . 3 GLU HG3 1 1 14 4978 1 1 3 GLU N N -16.844 -1.313 -1.200 1.00 . A A . 3 GLU N 1 1 14 4979 1 1 3 GLU O O -16.029 -0.098 -4.128 1.00 . A A . 3 GLU O 1 1 14 4980 1 1 3 GLU OE1 O -12.669 1.021 0.517 1.00 . A A . 3 GLU OE1 1 1 14 4981 1 1 3 GLU OE2 O -12.165 2.692 -0.857 1.00 . A A . 3 GLU OE2 1 1 14 4982 1 1 4 ASP C C -13.268 -1.277 -5.028 1.00 . A A . 4 ASP C 1 1 14 4983 1 1 4 ASP CA C -14.137 -2.287 -4.312 1.00 . A A . 4 ASP CA 1 1 14 4984 1 1 4 ASP CB C -15.183 -2.969 -5.243 1.00 . A A . 4 ASP CB 1 1 14 4985 1 1 4 ASP CG C -14.528 -3.935 -6.235 1.00 . A A . 4 ASP CG 1 1 14 4986 1 1 4 ASP H H -14.442 -2.085 -2.262 1.00 . A A . 4 ASP H 1 1 14 4987 1 1 4 ASP HA H -13.474 -3.059 -3.943 1.00 . A A . 4 ASP HA 1 1 14 4988 1 1 4 ASP HB2 H -15.887 -3.554 -4.610 1.00 . A A . 4 ASP HB2 1 1 14 4989 1 1 4 ASP HB3 H -15.773 -2.203 -5.787 1.00 . A A . 4 ASP HB3 1 1 14 4990 1 1 4 ASP N N -14.727 -1.685 -3.131 1.00 . A A . 4 ASP N 1 1 14 4991 1 1 4 ASP O O -13.420 -1.025 -6.223 1.00 . A A . 4 ASP O 1 1 14 4992 1 1 4 ASP OD1 O -13.865 -4.900 -5.769 1.00 . A A . 4 ASP OD1 1 1 14 4993 1 1 4 ASP OD2 O -14.687 -3.722 -7.466 1.00 . A A . 4 ASP OD2 1 1 14 4994 1 1 5 LEU C C -10.236 0.201 -3.851 1.00 . A A . 5 LEU C 1 1 14 4995 1 1 5 LEU CA C -11.414 0.313 -4.785 1.00 . A A . 5 LEU CA 1 1 14 4996 1 1 5 LEU CB C -12.005 1.750 -4.739 1.00 . A A . 5 LEU CB 1 1 14 4997 1 1 5 LEU CD1 C -12.276 4.016 -5.841 1.00 . A A . 5 LEU CD1 1 1 14 4998 1 1 5 LEU CD2 C -9.948 3.265 -5.216 1.00 . A A . 5 LEU CD2 1 1 14 4999 1 1 5 LEU CG C -11.345 2.800 -5.670 1.00 . A A . 5 LEU CG 1 1 14 5000 1 1 5 LEU H H -12.230 -0.880 -3.301 1.00 . A A . 5 LEU H 1 1 14 5001 1 1 5 LEU HA H -11.160 0.047 -5.799 1.00 . A A . 5 LEU HA 1 1 14 5002 1 1 5 LEU HB2 H -13.066 1.661 -5.071 1.00 . A A . 5 LEU HB2 1 1 14 5003 1 1 5 LEU HB3 H -12.019 2.136 -3.697 1.00 . A A . 5 LEU HB3 1 1 14 5004 1 1 5 LEU HD11 H -11.834 4.743 -6.554 1.00 . A A . 5 LEU HD11 1 1 14 5005 1 1 5 LEU HD12 H -12.429 4.523 -4.864 1.00 . A A . 5 LEU HD12 1 1 14 5006 1 1 5 LEU HD13 H -13.264 3.694 -6.233 1.00 . A A . 5 LEU HD13 1 1 14 5007 1 1 5 LEU HD21 H -9.990 3.658 -4.178 1.00 . A A . 5 LEU HD21 1 1 14 5008 1 1 5 LEU HD22 H -9.579 4.072 -5.884 1.00 . A A . 5 LEU HD22 1 1 14 5009 1 1 5 LEU HD23 H -9.220 2.433 -5.256 1.00 . A A . 5 LEU HD23 1 1 14 5010 1 1 5 LEU HG H -11.235 2.331 -6.676 1.00 . A A . 5 LEU HG 1 1 14 5011 1 1 5 LEU N N -12.331 -0.668 -4.270 1.00 . A A . 5 LEU N 1 1 14 5012 1 1 5 LEU O O -10.451 0.351 -2.648 1.00 . A A . 5 LEU O 1 1 14 5013 1 1 6 PRO C C -7.445 1.432 -3.181 1.00 . A A . 6 PRO C 1 1 14 5014 1 1 6 PRO CA C -7.830 -0.012 -3.424 1.00 . A A . 6 PRO CA 1 1 14 5015 1 1 6 PRO CB C -6.752 -0.766 -4.219 1.00 . A A . 6 PRO CB 1 1 14 5016 1 1 6 PRO CD C -8.676 -0.519 -5.636 1.00 . A A . 6 PRO CD 1 1 14 5017 1 1 6 PRO CG C -7.148 -0.587 -5.691 1.00 . A A . 6 PRO CG 1 1 14 5018 1 1 6 PRO HA H -8.022 -0.489 -2.473 1.00 . A A . 6 PRO HA 1 1 14 5019 1 1 6 PRO HB2 H -5.720 -0.421 -4.009 1.00 . A A . 6 PRO HB2 1 1 14 5020 1 1 6 PRO HB3 H -6.820 -1.848 -3.968 1.00 . A A . 6 PRO HB3 1 1 14 5021 1 1 6 PRO HD2 H -9.065 0.194 -6.393 1.00 . A A . 6 PRO HD2 1 1 14 5022 1 1 6 PRO HD3 H -9.118 -1.527 -5.789 1.00 . A A . 6 PRO HD3 1 1 14 5023 1 1 6 PRO HG2 H -6.749 0.379 -6.068 1.00 . A A . 6 PRO HG2 1 1 14 5024 1 1 6 PRO HG3 H -6.782 -1.414 -6.330 1.00 . A A . 6 PRO HG3 1 1 14 5025 1 1 6 PRO N N -9.003 -0.068 -4.282 1.00 . A A . 6 PRO N 1 1 14 5026 1 1 6 PRO O O -6.639 1.983 -3.928 1.00 . A A . 6 PRO O 1 1 14 5027 1 1 7 ASN C C -6.593 3.347 -0.774 1.00 . A A . 7 ASN C 1 1 14 5028 1 1 7 ASN CA C -7.734 3.417 -1.739 1.00 . A A . 7 ASN CA 1 1 14 5029 1 1 7 ASN CB C -8.976 4.098 -1.100 1.00 . A A . 7 ASN CB 1 1 14 5030 1 1 7 ASN CG C -8.720 5.588 -0.823 1.00 . A A . 7 ASN CG 1 1 14 5031 1 1 7 ASN H H -8.695 1.589 -1.564 1.00 . A A . 7 ASN H 1 1 14 5032 1 1 7 ASN HA H -7.416 3.968 -2.599 1.00 . A A . 7 ASN HA 1 1 14 5033 1 1 7 ASN HB2 H -9.820 4.030 -1.819 1.00 . A A . 7 ASN HB2 1 1 14 5034 1 1 7 ASN HB3 H -9.284 3.569 -0.174 1.00 . A A . 7 ASN HB3 1 1 14 5035 1 1 7 ASN HD21 H -8.870 5.291 1.207 1.00 . A A . 7 ASN HD21 1 1 14 5036 1 1 7 ASN HD22 H -8.550 6.926 0.730 1.00 . A A . 7 ASN HD22 1 1 14 5037 1 1 7 ASN N N -8.019 2.057 -2.127 1.00 . A A . 7 ASN N 1 1 14 5038 1 1 7 ASN ND2 N -8.713 5.969 0.489 1.00 . A A . 7 ASN ND2 1 1 14 5039 1 1 7 ASN O O -5.515 3.894 -1.002 1.00 . A A . 7 ASN O 1 1 14 5040 1 1 7 ASN OD1 O -8.530 6.374 -1.759 1.00 . A A . 7 ASN OD1 1 1 14 5041 1 1 8 PHE C C -5.050 1.147 0.954 1.00 . A A . 8 PHE C 1 1 14 5042 1 1 8 PHE CA C -5.908 2.318 1.378 1.00 . A A . 8 PHE CA 1 1 14 5043 1 1 8 PHE CB C -6.651 1.978 2.701 1.00 . A A . 8 PHE CB 1 1 14 5044 1 1 8 PHE CD1 C -5.156 3.072 4.423 1.00 . A A . 8 PHE CD1 1 1 14 5045 1 1 8 PHE CD2 C -5.333 0.656 4.417 1.00 . A A . 8 PHE CD2 1 1 14 5046 1 1 8 PHE CE1 C -4.247 3.003 5.486 1.00 . A A . 8 PHE CE1 1 1 14 5047 1 1 8 PHE CE2 C -4.422 0.585 5.478 1.00 . A A . 8 PHE CE2 1 1 14 5048 1 1 8 PHE CG C -5.706 1.900 3.876 1.00 . A A . 8 PHE CG 1 1 14 5049 1 1 8 PHE CZ C -3.878 1.760 6.012 1.00 . A A . 8 PHE CZ 1 1 14 5050 1 1 8 PHE H H -7.751 2.213 0.392 1.00 . A A . 8 PHE H 1 1 14 5051 1 1 8 PHE HA H -5.279 3.188 1.514 1.00 . A A . 8 PHE HA 1 1 14 5052 1 1 8 PHE HB2 H -7.387 2.781 2.923 1.00 . A A . 8 PHE HB2 1 1 14 5053 1 1 8 PHE HB3 H -7.204 1.019 2.607 1.00 . A A . 8 PHE HB3 1 1 14 5054 1 1 8 PHE HD1 H -5.428 4.034 4.015 1.00 . A A . 8 PHE HD1 1 1 14 5055 1 1 8 PHE HD2 H -5.739 -0.254 4.001 1.00 . A A . 8 PHE HD2 1 1 14 5056 1 1 8 PHE HE1 H -3.826 3.910 5.896 1.00 . A A . 8 PHE HE1 1 1 14 5057 1 1 8 PHE HE2 H -4.139 -0.375 5.883 1.00 . A A . 8 PHE HE2 1 1 14 5058 1 1 8 PHE HZ H -3.174 1.706 6.830 1.00 . A A . 8 PHE HZ 1 1 14 5059 1 1 8 PHE N N -6.844 2.611 0.321 1.00 . A A . 8 PHE N 1 1 14 5060 1 1 8 PHE O O -3.938 0.978 1.449 1.00 . A A . 8 PHE O 1 1 14 5061 1 1 9 GLY C C -3.715 -0.381 -1.435 1.00 . A A . 9 GLY C 1 1 14 5062 1 1 9 GLY CA C -4.838 -0.816 -0.536 1.00 . A A . 9 GLY CA 1 1 14 5063 1 1 9 GLY H H -6.449 0.484 -0.395 1.00 . A A . 9 GLY H 1 1 14 5064 1 1 9 GLY HA2 H -4.427 -1.380 0.291 1.00 . A A . 9 GLY HA2 1 1 14 5065 1 1 9 GLY HA3 H -5.547 -1.375 -1.127 1.00 . A A . 9 GLY HA3 1 1 14 5066 1 1 9 GLY N N -5.547 0.324 -0.002 1.00 . A A . 9 GLY N 1 1 14 5067 1 1 9 GLY O O -2.710 -1.079 -1.558 1.00 . A A . 9 GLY O 1 1 14 5068 1 1 10 HIS C C -1.839 2.101 -1.969 1.00 . A A . 10 HIS C 1 1 14 5069 1 1 10 HIS CA C -2.828 1.418 -2.872 1.00 . A A . 10 HIS CA 1 1 14 5070 1 1 10 HIS CB C -3.391 2.476 -3.853 1.00 . A A . 10 HIS CB 1 1 14 5071 1 1 10 HIS CD2 C -1.940 4.512 -4.552 1.00 . A A . 10 HIS CD2 1 1 14 5072 1 1 10 HIS CE1 C -0.622 3.585 -5.960 1.00 . A A . 10 HIS CE1 1 1 14 5073 1 1 10 HIS CG C -2.330 3.212 -4.633 1.00 . A A . 10 HIS CG 1 1 14 5074 1 1 10 HIS H H -4.692 1.346 -1.969 1.00 . A A . 10 HIS H 1 1 14 5075 1 1 10 HIS HA H -2.318 0.647 -3.432 1.00 . A A . 10 HIS HA 1 1 14 5076 1 1 10 HIS HB2 H -4.069 1.972 -4.573 1.00 . A A . 10 HIS HB2 1 1 14 5077 1 1 10 HIS HB3 H -3.991 3.222 -3.288 1.00 . A A . 10 HIS HB3 1 1 14 5078 1 1 10 HIS HD1 H -1.486 1.655 -5.813 1.00 . A A . 10 HIS HD1 1 1 14 5079 1 1 10 HIS HD2 H -2.337 5.314 -3.944 1.00 . A A . 10 HIS HD2 1 1 14 5080 1 1 10 HIS HE1 H 0.169 3.397 -6.683 1.00 . A A . 10 HIS HE1 1 1 14 5081 1 1 10 HIS N N -3.860 0.807 -2.069 1.00 . A A . 10 HIS N 1 1 14 5082 1 1 10 HIS ND1 N -1.477 2.619 -5.540 1.00 . A A . 10 HIS ND1 1 1 14 5083 1 1 10 HIS NE2 N -0.863 4.750 -5.388 1.00 . A A . 10 HIS NE2 1 1 14 5084 1 1 10 HIS O O -0.638 2.045 -2.223 1.00 . A A . 10 HIS O 1 1 14 5085 1 1 11 ILE C C -0.579 2.814 0.816 1.00 . A A . 11 ILE C 1 1 14 5086 1 1 11 ILE CA C -1.557 3.613 -0.014 1.00 . A A . 11 ILE CA 1 1 14 5087 1 1 11 ILE CB C -2.464 4.520 0.834 1.00 . A A . 11 ILE CB 1 1 14 5088 1 1 11 ILE CD1 C -2.604 6.451 -0.861 1.00 . A A . 11 ILE CD1 1 1 14 5089 1 1 11 ILE CG1 C -2.176 6.013 0.545 1.00 . A A . 11 ILE CG1 1 1 14 5090 1 1 11 ILE CG2 C -2.436 4.221 2.354 1.00 . A A . 11 ILE CG2 1 1 14 5091 1 1 11 ILE H H -3.311 2.747 -0.696 1.00 . A A . 11 ILE H 1 1 14 5092 1 1 11 ILE HA H -0.963 4.243 -0.660 1.00 . A A . 11 ILE HA 1 1 14 5093 1 1 11 ILE HB H -3.516 4.338 0.510 1.00 . A A . 11 ILE HB 1 1 14 5094 1 1 11 ILE HD11 H -2.454 7.544 -0.984 1.00 . A A . 11 ILE HD11 1 1 14 5095 1 1 11 ILE HD12 H -3.680 6.219 -1.018 1.00 . A A . 11 ILE HD12 1 1 14 5096 1 1 11 ILE HD13 H -2.012 5.925 -1.639 1.00 . A A . 11 ILE HD13 1 1 14 5097 1 1 11 ILE HG12 H -2.742 6.626 1.283 1.00 . A A . 11 ILE HG12 1 1 14 5098 1 1 11 ILE HG13 H -1.093 6.216 0.691 1.00 . A A . 11 ILE HG13 1 1 14 5099 1 1 11 ILE HG21 H -3.179 4.861 2.874 1.00 . A A . 11 ILE HG21 1 1 14 5100 1 1 11 ILE HG22 H -1.437 4.435 2.785 1.00 . A A . 11 ILE HG22 1 1 14 5101 1 1 11 ILE HG23 H -2.702 3.161 2.552 1.00 . A A . 11 ILE HG23 1 1 14 5102 1 1 11 ILE N N -2.334 2.764 -0.893 1.00 . A A . 11 ILE N 1 1 14 5103 1 1 11 ILE O O 0.476 3.319 1.190 1.00 . A A . 11 ILE O 1 1 14 5104 1 1 12 GLN C C 1.115 0.207 1.159 1.00 . A A . 12 GLN C 1 1 14 5105 1 1 12 GLN CA C -0.116 0.645 1.912 1.00 . A A . 12 GLN CA 1 1 14 5106 1 1 12 GLN CB C -0.954 -0.591 2.315 1.00 . A A . 12 GLN CB 1 1 14 5107 1 1 12 GLN CD C -1.188 -2.690 3.685 1.00 . A A . 12 GLN CD 1 1 14 5108 1 1 12 GLN CG C -0.264 -1.520 3.326 1.00 . A A . 12 GLN CG 1 1 14 5109 1 1 12 GLN H H -1.757 1.142 0.757 1.00 . A A . 12 GLN H 1 1 14 5110 1 1 12 GLN HA H 0.185 1.181 2.802 1.00 . A A . 12 GLN HA 1 1 14 5111 1 1 12 GLN HB2 H -1.899 -0.215 2.771 1.00 . A A . 12 GLN HB2 1 1 14 5112 1 1 12 GLN HB3 H -1.232 -1.165 1.404 1.00 . A A . 12 GLN HB3 1 1 14 5113 1 1 12 GLN HE21 H -2.492 -1.425 4.649 1.00 . A A . 12 GLN HE21 1 1 14 5114 1 1 12 GLN HE22 H -2.951 -3.096 4.664 1.00 . A A . 12 GLN HE22 1 1 14 5115 1 1 12 GLN HG2 H 0.667 -1.930 2.882 1.00 . A A . 12 GLN HG2 1 1 14 5116 1 1 12 GLN HG3 H 0.001 -0.957 4.245 1.00 . A A . 12 GLN HG3 1 1 14 5117 1 1 12 GLN N N -0.905 1.532 1.096 1.00 . A A . 12 GLN N 1 1 14 5118 1 1 12 GLN NE2 N -2.311 -2.376 4.399 1.00 . A A . 12 GLN NE2 1 1 14 5119 1 1 12 GLN O O 2.215 0.177 1.709 1.00 . A A . 12 GLN O 1 1 14 5120 1 1 12 GLN OE1 O -0.903 -3.842 3.338 1.00 . A A . 12 GLN OE1 1 1 14 5121 1 1 13 VAL C C 2.858 0.521 -1.482 1.00 . A A . 13 VAL C 1 1 14 5122 1 1 13 VAL CA C 1.965 -0.611 -1.034 1.00 . A A . 13 VAL CA 1 1 14 5123 1 1 13 VAL CB C 1.348 -1.327 -2.235 1.00 . A A . 13 VAL CB 1 1 14 5124 1 1 13 VAL CG1 C 2.425 -1.866 -3.205 1.00 . A A . 13 VAL CG1 1 1 14 5125 1 1 13 VAL CG2 C 0.469 -2.483 -1.709 1.00 . A A . 13 VAL CG2 1 1 14 5126 1 1 13 VAL H H 0.033 -0.046 -0.559 1.00 . A A . 13 VAL H 1 1 14 5127 1 1 13 VAL HA H 2.573 -1.297 -0.474 1.00 . A A . 13 VAL HA 1 1 14 5128 1 1 13 VAL HB H 0.693 -0.620 -2.793 1.00 . A A . 13 VAL HB 1 1 14 5129 1 1 13 VAL HG11 H 2.973 -1.037 -3.699 1.00 . A A . 13 VAL HG11 1 1 14 5130 1 1 13 VAL HG12 H 1.945 -2.476 -3.999 1.00 . A A . 13 VAL HG12 1 1 14 5131 1 1 13 VAL HG13 H 3.151 -2.504 -2.658 1.00 . A A . 13 VAL HG13 1 1 14 5132 1 1 13 VAL HG21 H 1.080 -3.187 -1.106 1.00 . A A . 13 VAL HG21 1 1 14 5133 1 1 13 VAL HG22 H 0.029 -3.041 -2.563 1.00 . A A . 13 VAL HG22 1 1 14 5134 1 1 13 VAL HG23 H -0.364 -2.109 -1.081 1.00 . A A . 13 VAL HG23 1 1 14 5135 1 1 13 VAL N N 0.938 -0.115 -0.145 1.00 . A A . 13 VAL N 1 1 14 5136 1 1 13 VAL O O 4.023 0.316 -1.811 1.00 . A A . 13 VAL O 1 1 14 5137 1 1 14 LYS C C 4.028 3.381 -0.921 1.00 . A A . 14 LYS C 1 1 14 5138 1 1 14 LYS CA C 2.967 2.967 -1.910 1.00 . A A . 14 LYS CA 1 1 14 5139 1 1 14 LYS CB C 1.897 4.068 -2.116 1.00 . A A . 14 LYS CB 1 1 14 5140 1 1 14 LYS CD C 2.432 6.332 -1.055 1.00 . A A . 14 LYS CD 1 1 14 5141 1 1 14 LYS CE C 2.892 7.782 -1.250 1.00 . A A . 14 LYS CE 1 1 14 5142 1 1 14 LYS CG C 2.383 5.507 -2.353 1.00 . A A . 14 LYS CG 1 1 14 5143 1 1 14 LYS H H 1.399 1.883 -1.113 1.00 . A A . 14 LYS H 1 1 14 5144 1 1 14 LYS HA H 3.452 2.765 -2.856 1.00 . A A . 14 LYS HA 1 1 14 5145 1 1 14 LYS HB2 H 1.290 3.768 -3.000 1.00 . A A . 14 LYS HB2 1 1 14 5146 1 1 14 LYS HB3 H 1.211 4.076 -1.243 1.00 . A A . 14 LYS HB3 1 1 14 5147 1 1 14 LYS HD2 H 1.421 6.315 -0.590 1.00 . A A . 14 LYS HD2 1 1 14 5148 1 1 14 LYS HD3 H 3.124 5.836 -0.342 1.00 . A A . 14 LYS HD3 1 1 14 5149 1 1 14 LYS HE2 H 2.946 8.303 -0.271 1.00 . A A . 14 LYS HE2 1 1 14 5150 1 1 14 LYS HE3 H 3.891 7.811 -1.735 1.00 . A A . 14 LYS HE3 1 1 14 5151 1 1 14 LYS HG2 H 3.373 5.499 -2.853 1.00 . A A . 14 LYS HG2 1 1 14 5152 1 1 14 LYS HG3 H 1.658 5.998 -3.040 1.00 . A A . 14 LYS HG3 1 1 14 5153 1 1 14 LYS HZ1 H 2.288 9.514 -2.222 1.00 . A A . 14 LYS HZ1 1 1 14 5154 1 1 14 LYS HZ2 H 1.009 8.546 -1.661 1.00 . A A . 14 LYS HZ2 1 1 14 5155 1 1 14 LYS HZ3 H 1.886 8.079 -3.038 1.00 . A A . 14 LYS HZ3 1 1 14 5156 1 1 14 LYS N N 2.322 1.756 -1.465 1.00 . A A . 14 LYS N 1 1 14 5157 1 1 14 LYS NZ N 1.949 8.537 -2.107 1.00 . A A . 14 LYS NZ 1 1 14 5158 1 1 14 LYS O O 5.068 3.901 -1.316 1.00 . A A . 14 LYS O 1 1 14 5159 1 1 15 VAL C C 5.858 2.449 1.448 1.00 . A A . 15 VAL C 1 1 14 5160 1 1 15 VAL CA C 4.715 3.438 1.465 1.00 . A A . 15 VAL CA 1 1 14 5161 1 1 15 VAL CB C 4.004 3.445 2.816 1.00 . A A . 15 VAL CB 1 1 14 5162 1 1 15 VAL CG1 C 4.989 3.513 4.005 1.00 . A A . 15 VAL CG1 1 1 14 5163 1 1 15 VAL CG2 C 3.056 4.663 2.842 1.00 . A A . 15 VAL CG2 1 1 14 5164 1 1 15 VAL H H 2.944 2.695 0.679 1.00 . A A . 15 VAL H 1 1 14 5165 1 1 15 VAL HA H 5.127 4.421 1.283 1.00 . A A . 15 VAL HA 1 1 14 5166 1 1 15 VAL HB H 3.397 2.518 2.918 1.00 . A A . 15 VAL HB 1 1 14 5167 1 1 15 VAL HG11 H 5.672 4.382 3.893 1.00 . A A . 15 VAL HG11 1 1 14 5168 1 1 15 VAL HG12 H 5.593 2.586 4.081 1.00 . A A . 15 VAL HG12 1 1 14 5169 1 1 15 VAL HG13 H 4.426 3.629 4.955 1.00 . A A . 15 VAL HG13 1 1 14 5170 1 1 15 VAL HG21 H 3.644 5.604 2.796 1.00 . A A . 15 VAL HG21 1 1 14 5171 1 1 15 VAL HG22 H 2.462 4.664 3.781 1.00 . A A . 15 VAL HG22 1 1 14 5172 1 1 15 VAL HG23 H 2.356 4.651 1.984 1.00 . A A . 15 VAL HG23 1 1 14 5173 1 1 15 VAL N N 3.794 3.128 0.389 1.00 . A A . 15 VAL N 1 1 14 5174 1 1 15 VAL O O 6.998 2.814 1.734 1.00 . A A . 15 VAL O 1 1 14 5175 1 1 16 PHE C C 7.507 0.324 -0.154 1.00 . A A . 16 PHE C 1 1 14 5176 1 1 16 PHE CA C 6.578 0.122 1.018 1.00 . A A . 16 PHE CA 1 1 14 5177 1 1 16 PHE CB C 5.956 -1.291 0.853 1.00 . A A . 16 PHE CB 1 1 14 5178 1 1 16 PHE CD1 C 5.133 -1.213 3.295 1.00 . A A . 16 PHE CD1 1 1 14 5179 1 1 16 PHE CD2 C 4.025 -2.646 1.690 1.00 . A A . 16 PHE CD2 1 1 14 5180 1 1 16 PHE CE1 C 4.251 -1.650 4.291 1.00 . A A . 16 PHE CE1 1 1 14 5181 1 1 16 PHE CE2 C 3.149 -3.090 2.686 1.00 . A A . 16 PHE CE2 1 1 14 5182 1 1 16 PHE CG C 5.025 -1.697 1.974 1.00 . A A . 16 PHE CG 1 1 14 5183 1 1 16 PHE CZ C 3.259 -2.589 3.987 1.00 . A A . 16 PHE CZ 1 1 14 5184 1 1 16 PHE H H 4.658 0.899 0.830 1.00 . A A . 16 PHE H 1 1 14 5185 1 1 16 PHE HA H 7.170 0.164 1.922 1.00 . A A . 16 PHE HA 1 1 14 5186 1 1 16 PHE HB2 H 5.380 -1.333 -0.098 1.00 . A A . 16 PHE HB2 1 1 14 5187 1 1 16 PHE HB3 H 6.761 -2.058 0.815 1.00 . A A . 16 PHE HB3 1 1 14 5188 1 1 16 PHE HD1 H 5.898 -0.502 3.568 1.00 . A A . 16 PHE HD1 1 1 14 5189 1 1 16 PHE HD2 H 3.932 -3.041 0.688 1.00 . A A . 16 PHE HD2 1 1 14 5190 1 1 16 PHE HE1 H 4.340 -1.267 5.296 1.00 . A A . 16 PHE HE1 1 1 14 5191 1 1 16 PHE HE2 H 2.385 -3.815 2.449 1.00 . A A . 16 PHE HE2 1 1 14 5192 1 1 16 PHE HZ H 2.579 -2.926 4.755 1.00 . A A . 16 PHE HZ 1 1 14 5193 1 1 16 PHE N N 5.584 1.174 1.076 1.00 . A A . 16 PHE N 1 1 14 5194 1 1 16 PHE O O 8.688 -0.004 -0.076 1.00 . A A . 16 PHE O 1 1 14 5195 1 1 17 ASN C C 8.504 2.374 -2.399 1.00 . A A . 17 ASN C 1 1 14 5196 1 1 17 ASN CA C 7.685 1.105 -2.504 1.00 . A A . 17 ASN CA 1 1 14 5197 1 1 17 ASN CB C 6.676 1.211 -3.681 1.00 . A A . 17 ASN CB 1 1 14 5198 1 1 17 ASN CG C 7.329 1.033 -5.062 1.00 . A A . 17 ASN CG 1 1 14 5199 1 1 17 ASN H H 6.014 1.149 -1.285 1.00 . A A . 17 ASN H 1 1 14 5200 1 1 17 ASN HA H 8.348 0.264 -2.657 1.00 . A A . 17 ASN HA 1 1 14 5201 1 1 17 ASN HB2 H 5.930 0.393 -3.566 1.00 . A A . 17 ASN HB2 1 1 14 5202 1 1 17 ASN HB3 H 6.132 2.178 -3.636 1.00 . A A . 17 ASN HB3 1 1 14 5203 1 1 17 ASN HD21 H 5.534 1.474 -5.967 1.00 . A A . 17 ASN HD21 1 1 14 5204 1 1 17 ASN HD22 H 6.841 1.149 -7.059 1.00 . A A . 17 ASN HD22 1 1 14 5205 1 1 17 ASN N N 6.974 0.883 -1.267 1.00 . A A . 17 ASN N 1 1 14 5206 1 1 17 ASN ND2 N 6.495 1.245 -6.125 1.00 . A A . 17 ASN ND2 1 1 14 5207 1 1 17 ASN O O 9.511 2.527 -3.086 1.00 . A A . 17 ASN O 1 1 14 5208 1 1 17 ASN OD1 O 8.511 0.702 -5.190 1.00 . A A . 17 ASN OD1 1 1 14 5209 1 1 18 HIS C C 9.955 4.291 -0.318 1.00 . A A . 18 HIS C 1 1 14 5210 1 1 18 HIS CA C 8.794 4.543 -1.246 1.00 . A A . 18 HIS CA 1 1 14 5211 1 1 18 HIS CB C 7.877 5.612 -0.612 1.00 . A A . 18 HIS CB 1 1 14 5212 1 1 18 HIS CD2 C 9.180 7.510 0.567 1.00 . A A . 18 HIS CD2 1 1 14 5213 1 1 18 HIS CE1 C 9.430 8.882 -1.054 1.00 . A A . 18 HIS CE1 1 1 14 5214 1 1 18 HIS CG C 8.542 6.954 -0.496 1.00 . A A . 18 HIS CG 1 1 14 5215 1 1 18 HIS H H 7.272 3.165 -0.960 1.00 . A A . 18 HIS H 1 1 14 5216 1 1 18 HIS HA H 9.176 4.932 -2.177 1.00 . A A . 18 HIS HA 1 1 14 5217 1 1 18 HIS HB2 H 6.970 5.731 -1.244 1.00 . A A . 18 HIS HB2 1 1 14 5218 1 1 18 HIS HB3 H 7.543 5.277 0.394 1.00 . A A . 18 HIS HB3 1 1 14 5219 1 1 18 HIS HD1 H 8.379 7.714 -2.477 1.00 . A A . 18 HIS HD1 1 1 14 5220 1 1 18 HIS HD2 H 9.319 7.105 1.559 1.00 . A A . 18 HIS HD2 1 1 14 5221 1 1 18 HIS HE1 H 9.715 9.736 -1.666 1.00 . A A . 18 HIS HE1 1 1 14 5222 1 1 18 HIS N N 8.093 3.307 -1.506 1.00 . A A . 18 HIS N 1 1 14 5223 1 1 18 HIS ND1 N 8.711 7.838 -1.540 1.00 . A A . 18 HIS ND1 1 1 14 5224 1 1 18 HIS NE2 N 9.738 8.727 0.219 1.00 . A A . 18 HIS NE2 1 1 14 5225 1 1 18 HIS O O 10.949 5.013 -0.352 1.00 . A A . 18 HIS O 1 1 14 5226 1 1 19 GLY C C 11.907 1.968 0.741 1.00 . A A . 19 GLY C 1 1 14 5227 1 1 19 GLY CA C 10.899 2.836 1.439 1.00 . A A . 19 GLY CA 1 1 14 5228 1 1 19 GLY H H 9.038 2.664 0.537 1.00 . A A . 19 GLY H 1 1 14 5229 1 1 19 GLY HA2 H 11.396 3.717 1.818 1.00 . A A . 19 GLY HA2 1 1 14 5230 1 1 19 GLY HA3 H 10.426 2.247 2.211 1.00 . A A . 19 GLY HA3 1 1 14 5231 1 1 19 GLY N N 9.856 3.234 0.525 1.00 . A A . 19 GLY N 1 1 14 5232 1 1 19 GLY O O 13.037 1.827 1.207 1.00 . A A . 19 GLY O 1 1 14 5233 1 1 20 GLU C C 13.181 1.437 -2.094 1.00 . A A . 20 GLU C 1 1 14 5234 1 1 20 GLU CA C 12.351 0.529 -1.225 1.00 . A A . 20 GLU CA 1 1 14 5235 1 1 20 GLU CB C 11.511 -0.439 -2.098 1.00 . A A . 20 GLU CB 1 1 14 5236 1 1 20 GLU CD C 11.448 -2.306 -3.816 1.00 . A A . 20 GLU CD 1 1 14 5237 1 1 20 GLU CG C 12.345 -1.405 -2.963 1.00 . A A . 20 GLU CG 1 1 14 5238 1 1 20 GLU H H 10.586 1.498 -0.755 1.00 . A A . 20 GLU H 1 1 14 5239 1 1 20 GLU HA H 13.005 -0.045 -0.584 1.00 . A A . 20 GLU HA 1 1 14 5240 1 1 20 GLU HB2 H 10.877 -1.045 -1.413 1.00 . A A . 20 GLU HB2 1 1 14 5241 1 1 20 GLU HB3 H 10.823 0.146 -2.747 1.00 . A A . 20 GLU HB3 1 1 14 5242 1 1 20 GLU HG2 H 13.011 -0.829 -3.640 1.00 . A A . 20 GLU HG2 1 1 14 5243 1 1 20 GLU HG3 H 12.976 -2.038 -2.302 1.00 . A A . 20 GLU HG3 1 1 14 5244 1 1 20 GLU N N 11.511 1.368 -0.407 1.00 . A A . 20 GLU N 1 1 14 5245 1 1 20 GLU O O 14.382 1.586 -1.875 1.00 . A A . 20 GLU O 1 1 14 5246 1 1 20 GLU OE1 O 10.198 -2.170 -3.746 1.00 . A A . 20 GLU OE1 1 1 14 5247 1 1 20 GLU OE2 O 12.018 -3.146 -4.563 1.00 . A A . 20 GLU OE2 1 1 14 5248 1 1 21 HIS C C 13.008 4.376 -3.357 1.00 . A A . 21 HIS C 1 1 14 5249 1 1 21 HIS CA C 13.144 3.022 -3.986 1.00 . A A . 21 HIS CA 1 1 14 5250 1 1 21 HIS CB C 12.489 3.055 -5.385 1.00 . A A . 21 HIS CB 1 1 14 5251 1 1 21 HIS CD2 C 13.442 1.236 -6.971 1.00 . A A . 21 HIS CD2 1 1 14 5252 1 1 21 HIS CE1 C 12.030 -0.338 -6.648 1.00 . A A . 21 HIS CE1 1 1 14 5253 1 1 21 HIS CG C 12.537 1.722 -6.081 1.00 . A A . 21 HIS CG 1 1 14 5254 1 1 21 HIS H H 11.569 1.936 -3.267 1.00 . A A . 21 HIS H 1 1 14 5255 1 1 21 HIS HA H 14.181 2.761 -4.087 1.00 . A A . 21 HIS HA 1 1 14 5256 1 1 21 HIS HB2 H 11.425 3.370 -5.307 1.00 . A A . 21 HIS HB2 1 1 14 5257 1 1 21 HIS HB3 H 13.022 3.794 -6.023 1.00 . A A . 21 HIS HB3 1 1 14 5258 1 1 21 HIS HD1 H 10.834 0.738 -5.268 1.00 . A A . 21 HIS HD1 1 1 14 5259 1 1 21 HIS HD2 H 14.320 1.711 -7.391 1.00 . A A . 21 HIS HD2 1 1 14 5260 1 1 21 HIS HE1 H 11.495 -1.286 -6.680 1.00 . A A . 21 HIS HE1 1 1 14 5261 1 1 21 HIS N N 12.534 2.082 -3.091 1.00 . A A . 21 HIS N 1 1 14 5262 1 1 21 HIS ND1 N 11.630 0.703 -5.876 1.00 . A A . 21 HIS ND1 1 1 14 5263 1 1 21 HIS NE2 N 13.124 -0.062 -7.331 1.00 . A A . 21 HIS NE2 1 1 14 5264 1 1 21 HIS O O 11.897 4.869 -3.168 1.00 . A A . 21 HIS O 1 1 14 5265 1 1 22 ILE C C 14.886 7.157 -3.365 1.00 . A A . 22 ILE C 1 1 14 5266 1 1 22 ILE CA C 14.226 6.271 -2.343 1.00 . A A . 22 ILE CA 1 1 14 5267 1 1 22 ILE CB C 14.992 6.242 -1.018 1.00 . A A . 22 ILE CB 1 1 14 5268 1 1 22 ILE CD1 C 15.265 4.920 1.195 1.00 . A A . 22 ILE CD1 1 1 14 5269 1 1 22 ILE CG1 C 14.536 5.039 -0.147 1.00 . A A . 22 ILE CG1 1 1 14 5270 1 1 22 ILE CG2 C 14.768 7.590 -0.292 1.00 . A A . 22 ILE CG2 1 1 14 5271 1 1 22 ILE H H 15.043 4.592 -3.226 1.00 . A A . 22 ILE H 1 1 14 5272 1 1 22 ILE HA H 13.225 6.639 -2.161 1.00 . A A . 22 ILE HA 1 1 14 5273 1 1 22 ILE HB H 16.080 6.109 -1.210 1.00 . A A . 22 ILE HB 1 1 14 5274 1 1 22 ILE HD11 H 16.364 4.871 1.036 1.00 . A A . 22 ILE HD11 1 1 14 5275 1 1 22 ILE HD12 H 14.945 3.996 1.722 1.00 . A A . 22 ILE HD12 1 1 14 5276 1 1 22 ILE HD13 H 15.038 5.788 1.850 1.00 . A A . 22 ILE HD13 1 1 14 5277 1 1 22 ILE HG12 H 13.445 5.126 0.044 1.00 . A A . 22 ILE HG12 1 1 14 5278 1 1 22 ILE HG13 H 14.711 4.093 -0.704 1.00 . A A . 22 ILE HG13 1 1 14 5279 1 1 22 ILE HG21 H 15.079 8.445 -0.927 1.00 . A A . 22 ILE HG21 1 1 14 5280 1 1 22 ILE HG22 H 15.359 7.634 0.646 1.00 . A A . 22 ILE HG22 1 1 14 5281 1 1 22 ILE HG23 H 13.694 7.714 -0.040 1.00 . A A . 22 ILE HG23 1 1 14 5282 1 1 22 ILE N N 14.159 4.993 -3.007 1.00 . A A . 22 ILE N 1 1 14 5283 1 1 22 ILE O O 15.989 7.668 -3.169 1.00 . A A . 22 ILE O 1 1 14 5284 1 1 23 HIS C C 15.781 7.403 -6.329 1.00 . A A . 23 HIS C 1 1 14 5285 1 1 23 HIS CA C 14.596 8.071 -5.674 1.00 . A A . 23 HIS CA 1 1 14 5286 1 1 23 HIS CB C 14.806 9.588 -5.401 1.00 . A A . 23 HIS CB 1 1 14 5287 1 1 23 HIS CD2 C 14.821 10.146 -7.952 1.00 . A A . 23 HIS CD2 1 1 14 5288 1 1 23 HIS CE1 C 15.576 12.146 -7.890 1.00 . A A . 23 HIS CE1 1 1 14 5289 1 1 23 HIS CG C 15.035 10.426 -6.636 1.00 . A A . 23 HIS CG 1 1 14 5290 1 1 23 HIS H H 13.331 6.812 -4.621 1.00 . A A . 23 HIS H 1 1 14 5291 1 1 23 HIS HA H 13.770 7.986 -6.364 1.00 . A A . 23 HIS HA 1 1 14 5292 1 1 23 HIS HB2 H 13.895 9.980 -4.899 1.00 . A A . 23 HIS HB2 1 1 14 5293 1 1 23 HIS HB3 H 15.661 9.732 -4.705 1.00 . A A . 23 HIS HB3 1 1 14 5294 1 1 23 HIS HD1 H 15.768 12.230 -5.781 1.00 . A A . 23 HIS HD1 1 1 14 5295 1 1 23 HIS HD2 H 14.441 9.245 -8.418 1.00 . A A . 23 HIS HD2 1 1 14 5296 1 1 23 HIS HE1 H 15.925 13.140 -8.163 1.00 . A A . 23 HIS HE1 1 1 14 5297 1 1 23 HIS N N 14.190 7.308 -4.517 1.00 . A A . 23 HIS N 1 1 14 5298 1 1 23 HIS ND1 N 15.516 11.718 -6.604 1.00 . A A . 23 HIS ND1 1 1 14 5299 1 1 23 HIS NE2 N 15.165 11.228 -8.743 1.00 . A A . 23 HIS NE2 1 1 14 5300 1 1 23 HIS O O 15.663 6.282 -6.822 1.00 . A A . 23 HIS O 1 1 14 5301 1 1 24 HIS C C 18.852 6.699 -5.823 1.00 . A A . 24 HIS C 1 1 14 5302 1 1 24 HIS CA C 18.169 7.561 -6.904 1.00 . A A . 24 HIS CA 1 1 14 5303 1 1 24 HIS CB C 19.137 8.692 -7.323 1.00 . A A . 24 HIS CB 1 1 14 5304 1 1 24 HIS CD2 C 21.691 8.243 -7.489 1.00 . A A . 24 HIS CD2 1 1 14 5305 1 1 24 HIS CE1 C 21.777 7.206 -9.358 1.00 . A A . 24 HIS CE1 1 1 14 5306 1 1 24 HIS CG C 20.410 8.189 -7.948 1.00 . A A . 24 HIS CG 1 1 14 5307 1 1 24 HIS H H 17.027 8.986 -5.929 1.00 . A A . 24 HIS H 1 1 14 5308 1 1 24 HIS HA H 17.925 6.965 -7.775 1.00 . A A . 24 HIS HA 1 1 14 5309 1 1 24 HIS HB2 H 18.625 9.350 -8.056 1.00 . A A . 24 HIS HB2 1 1 14 5310 1 1 24 HIS HB3 H 19.394 9.311 -6.437 1.00 . A A . 24 HIS HB3 1 1 14 5311 1 1 24 HIS HD1 H 19.696 7.305 -9.746 1.00 . A A . 24 HIS HD1 1 1 14 5312 1 1 24 HIS HD2 H 22.076 8.677 -6.575 1.00 . A A . 24 HIS HD2 1 1 14 5313 1 1 24 HIS HE1 H 22.122 6.669 -10.240 1.00 . A A . 24 HIS HE1 1 1 14 5314 1 1 24 HIS N N 16.953 8.079 -6.336 1.00 . A A . 24 HIS N 1 1 14 5315 1 1 24 HIS ND1 N 20.473 7.518 -9.151 1.00 . A A . 24 HIS ND1 1 1 14 5316 1 1 24 HIS NE2 N 22.553 7.625 -8.376 1.00 . A A . 24 HIS NE2 1 1 14 5317 1 1 24 HIS O O 19.166 7.195 -4.734 1.00 . A A . 24 HIS O 1 1 14 5318 1 1 25 NH2 HN1 H 19.517 4.783 -5.484 1.00 . A A . 25 NH2 HN1 1 1 14 5319 1 1 25 NH2 HN2 H 18.800 5.042 -7.040 1.00 . A A . 25 NH2 HN2 1 1 14 5320 1 1 25 NH2 N N 19.076 5.390 -6.144 1.00 . A A . 25 NH2 N 1 1 15 5321 1 1 1 ACE C C -20.103 4.752 2.582 1.00 . A A . 1 ACE C 1 1 15 5322 1 1 1 ACE CH3 C -21.366 5.386 3.067 1.00 . A A . 1 ACE CH3 1 1 15 5323 1 1 1 ACE H1 H -21.746 4.852 3.965 1.00 . A A . 1 ACE H1 1 1 15 5324 1 1 1 ACE H2 H -21.185 6.449 3.335 1.00 . A A . 1 ACE H2 1 1 15 5325 1 1 1 ACE H3 H -22.145 5.347 2.275 1.00 . A A . 1 ACE H3 1 1 15 5326 1 1 1 ACE O O -20.033 4.308 1.438 1.00 . A A . 1 ACE O 1 1 15 5327 1 1 2 PHE C C -16.954 4.718 2.169 1.00 . A A . 2 PHE C 1 1 15 5328 1 1 2 PHE CA C -17.762 4.135 3.312 1.00 . A A . 2 PHE CA 1 1 15 5329 1 1 2 PHE CB C -17.679 2.577 3.420 1.00 . A A . 2 PHE CB 1 1 15 5330 1 1 2 PHE CD1 C -17.990 1.667 1.071 1.00 . A A . 2 PHE CD1 1 1 15 5331 1 1 2 PHE CD2 C -19.733 1.279 2.705 1.00 . A A . 2 PHE CD2 1 1 15 5332 1 1 2 PHE CE1 C -18.734 0.972 0.110 1.00 . A A . 2 PHE CE1 1 1 15 5333 1 1 2 PHE CE2 C -20.481 0.587 1.745 1.00 . A A . 2 PHE CE2 1 1 15 5334 1 1 2 PHE CG C -18.482 1.836 2.378 1.00 . A A . 2 PHE CG 1 1 15 5335 1 1 2 PHE CZ C -19.981 0.433 0.446 1.00 . A A . 2 PHE CZ 1 1 15 5336 1 1 2 PHE H H -19.226 5.104 4.384 1.00 . A A . 2 PHE H 1 1 15 5337 1 1 2 PHE HA H -17.244 4.477 4.196 1.00 . A A . 2 PHE HA 1 1 15 5338 1 1 2 PHE HB2 H -16.628 2.228 3.358 1.00 . A A . 2 PHE HB2 1 1 15 5339 1 1 2 PHE HB3 H -18.066 2.278 4.418 1.00 . A A . 2 PHE HB3 1 1 15 5340 1 1 2 PHE HD1 H -17.029 2.073 0.801 1.00 . A A . 2 PHE HD1 1 1 15 5341 1 1 2 PHE HD2 H -20.125 1.395 3.705 1.00 . A A . 2 PHE HD2 1 1 15 5342 1 1 2 PHE HE1 H -18.343 0.851 -0.890 1.00 . A A . 2 PHE HE1 1 1 15 5343 1 1 2 PHE HE2 H -21.442 0.170 2.007 1.00 . A A . 2 PHE HE2 1 1 15 5344 1 1 2 PHE HZ H -20.557 -0.102 -0.295 1.00 . A A . 2 PHE HZ 1 1 15 5345 1 1 2 PHE N N -19.085 4.710 3.480 1.00 . A A . 2 PHE N 1 1 15 5346 1 1 2 PHE O O -17.420 5.577 1.420 1.00 . A A . 2 PHE O 1 1 15 5347 1 1 3 GLU C C -14.318 3.458 0.330 1.00 . A A . 3 GLU C 1 1 15 5348 1 1 3 GLU CA C -14.767 4.708 1.029 1.00 . A A . 3 GLU CA 1 1 15 5349 1 1 3 GLU CB C -13.548 5.485 1.593 1.00 . A A . 3 GLU CB 1 1 15 5350 1 1 3 GLU CD C -14.473 7.781 1.100 1.00 . A A . 3 GLU CD 1 1 15 5351 1 1 3 GLU CG C -13.901 6.865 2.182 1.00 . A A . 3 GLU CG 1 1 15 5352 1 1 3 GLU H H -15.320 3.587 2.679 1.00 . A A . 3 GLU H 1 1 15 5353 1 1 3 GLU HA H -15.281 5.315 0.298 1.00 . A A . 3 GLU HA 1 1 15 5354 1 1 3 GLU HB2 H -13.071 4.892 2.405 1.00 . A A . 3 GLU HB2 1 1 15 5355 1 1 3 GLU HB3 H -12.794 5.632 0.789 1.00 . A A . 3 GLU HB3 1 1 15 5356 1 1 3 GLU HG2 H -14.638 6.744 3.005 1.00 . A A . 3 GLU HG2 1 1 15 5357 1 1 3 GLU HG3 H -12.984 7.331 2.601 1.00 . A A . 3 GLU HG3 1 1 15 5358 1 1 3 GLU N N -15.682 4.273 2.053 1.00 . A A . 3 GLU N 1 1 15 5359 1 1 3 GLU O O -14.964 3.028 -0.624 1.00 . A A . 3 GLU O 1 1 15 5360 1 1 3 GLU OE1 O -13.746 8.055 0.108 1.00 . A A . 3 GLU OE1 1 1 15 5361 1 1 3 GLU OE2 O -15.645 8.220 1.252 1.00 . A A . 3 GLU OE2 1 1 15 5362 1 1 4 ASP C C -12.332 1.711 -1.227 1.00 . A A . 4 ASP C 1 1 15 5363 1 1 4 ASP CA C -12.525 1.681 0.272 1.00 . A A . 4 ASP CA 1 1 15 5364 1 1 4 ASP CB C -13.031 0.315 0.827 1.00 . A A . 4 ASP CB 1 1 15 5365 1 1 4 ASP CG C -14.552 0.139 0.766 1.00 . A A . 4 ASP CG 1 1 15 5366 1 1 4 ASP H H -12.753 3.258 1.606 1.00 . A A . 4 ASP H 1 1 15 5367 1 1 4 ASP HA H -11.516 1.748 0.659 1.00 . A A . 4 ASP HA 1 1 15 5368 1 1 4 ASP HB2 H -12.537 -0.527 0.299 1.00 . A A . 4 ASP HB2 1 1 15 5369 1 1 4 ASP HB3 H -12.725 0.258 1.897 1.00 . A A . 4 ASP HB3 1 1 15 5370 1 1 4 ASP N N -13.194 2.859 0.806 1.00 . A A . 4 ASP N 1 1 15 5371 1 1 4 ASP O O -12.866 0.892 -1.974 1.00 . A A . 4 ASP O 1 1 15 5372 1 1 4 ASP OD1 O -15.096 -0.049 -0.353 1.00 . A A . 4 ASP OD1 1 1 15 5373 1 1 4 ASP OD2 O -15.186 0.179 1.855 1.00 . A A . 4 ASP OD2 1 1 15 5374 1 1 5 LEU C C -9.867 2.034 -3.236 1.00 . A A . 5 LEU C 1 1 15 5375 1 1 5 LEU CA C -11.118 2.870 -3.056 1.00 . A A . 5 LEU CA 1 1 15 5376 1 1 5 LEU CB C -10.782 4.357 -3.370 1.00 . A A . 5 LEU CB 1 1 15 5377 1 1 5 LEU CD1 C -13.021 5.381 -2.521 1.00 . A A . 5 LEU CD1 1 1 15 5378 1 1 5 LEU CD2 C -11.506 6.682 -4.076 1.00 . A A . 5 LEU CD2 1 1 15 5379 1 1 5 LEU CG C -11.994 5.278 -3.665 1.00 . A A . 5 LEU CG 1 1 15 5380 1 1 5 LEU H H -11.108 3.341 -1.043 1.00 . A A . 5 LEU H 1 1 15 5381 1 1 5 LEU HA H -11.902 2.510 -3.707 1.00 . A A . 5 LEU HA 1 1 15 5382 1 1 5 LEU HB2 H -10.198 4.782 -2.526 1.00 . A A . 5 LEU HB2 1 1 15 5383 1 1 5 LEU HB3 H -10.138 4.409 -4.278 1.00 . A A . 5 LEU HB3 1 1 15 5384 1 1 5 LEU HD11 H -13.815 6.112 -2.782 1.00 . A A . 5 LEU HD11 1 1 15 5385 1 1 5 LEU HD12 H -12.528 5.711 -1.584 1.00 . A A . 5 LEU HD12 1 1 15 5386 1 1 5 LEU HD13 H -13.505 4.398 -2.345 1.00 . A A . 5 LEU HD13 1 1 15 5387 1 1 5 LEU HD21 H -10.825 6.613 -4.950 1.00 . A A . 5 LEU HD21 1 1 15 5388 1 1 5 LEU HD22 H -10.958 7.159 -3.235 1.00 . A A . 5 LEU HD22 1 1 15 5389 1 1 5 LEU HD23 H -12.369 7.325 -4.348 1.00 . A A . 5 LEU HD23 1 1 15 5390 1 1 5 LEU HG H -12.526 4.847 -4.546 1.00 . A A . 5 LEU HG 1 1 15 5391 1 1 5 LEU N N -11.512 2.688 -1.679 1.00 . A A . 5 LEU N 1 1 15 5392 1 1 5 LEU O O -9.274 1.640 -2.232 1.00 . A A . 5 LEU O 1 1 15 5393 1 1 6 PRO C C -6.963 1.962 -4.588 1.00 . A A . 6 PRO C 1 1 15 5394 1 1 6 PRO CA C -8.146 1.023 -4.681 1.00 . A A . 6 PRO CA 1 1 15 5395 1 1 6 PRO CB C -8.295 0.473 -6.108 1.00 . A A . 6 PRO CB 1 1 15 5396 1 1 6 PRO CD C -10.175 1.881 -5.688 1.00 . A A . 6 PRO CD 1 1 15 5397 1 1 6 PRO CG C -9.212 1.481 -6.806 1.00 . A A . 6 PRO CG 1 1 15 5398 1 1 6 PRO HA H -8.020 0.250 -3.940 1.00 . A A . 6 PRO HA 1 1 15 5399 1 1 6 PRO HB2 H -7.335 0.333 -6.642 1.00 . A A . 6 PRO HB2 1 1 15 5400 1 1 6 PRO HB3 H -8.820 -0.506 -6.058 1.00 . A A . 6 PRO HB3 1 1 15 5401 1 1 6 PRO HD2 H -10.527 2.925 -5.826 1.00 . A A . 6 PRO HD2 1 1 15 5402 1 1 6 PRO HD3 H -11.041 1.184 -5.652 1.00 . A A . 6 PRO HD3 1 1 15 5403 1 1 6 PRO HG2 H -8.620 2.367 -7.122 1.00 . A A . 6 PRO HG2 1 1 15 5404 1 1 6 PRO HG3 H -9.733 1.047 -7.682 1.00 . A A . 6 PRO HG3 1 1 15 5405 1 1 6 PRO N N -9.402 1.730 -4.452 1.00 . A A . 6 PRO N 1 1 15 5406 1 1 6 PRO O O -5.880 1.604 -5.044 1.00 . A A . 6 PRO O 1 1 15 5407 1 1 7 ASN C C -5.816 4.012 -2.242 1.00 . A A . 7 ASN C 1 1 15 5408 1 1 7 ASN CA C -6.146 4.133 -3.697 1.00 . A A . 7 ASN CA 1 1 15 5409 1 1 7 ASN CB C -6.639 5.577 -3.961 1.00 . A A . 7 ASN CB 1 1 15 5410 1 1 7 ASN CG C -7.035 5.729 -5.436 1.00 . A A . 7 ASN CG 1 1 15 5411 1 1 7 ASN H H -8.057 3.360 -3.616 1.00 . A A . 7 ASN H 1 1 15 5412 1 1 7 ASN HA H -5.264 3.906 -4.261 1.00 . A A . 7 ASN HA 1 1 15 5413 1 1 7 ASN HB2 H -7.532 5.798 -3.336 1.00 . A A . 7 ASN HB2 1 1 15 5414 1 1 7 ASN HB3 H -5.843 6.311 -3.716 1.00 . A A . 7 ASN HB3 1 1 15 5415 1 1 7 ASN HD21 H -5.075 5.526 -6.031 1.00 . A A . 7 ASN HD21 1 1 15 5416 1 1 7 ASN HD22 H -6.210 5.758 -7.320 1.00 . A A . 7 ASN HD22 1 1 15 5417 1 1 7 ASN N N -7.155 3.146 -3.974 1.00 . A A . 7 ASN N 1 1 15 5418 1 1 7 ASN ND2 N -6.014 5.667 -6.343 1.00 . A A . 7 ASN ND2 1 1 15 5419 1 1 7 ASN O O -4.668 4.167 -1.830 1.00 . A A . 7 ASN O 1 1 15 5420 1 1 7 ASN OD1 O -8.219 5.892 -5.754 1.00 . A A . 7 ASN OD1 1 1 15 5421 1 1 8 PHE C C -6.501 2.035 0.260 1.00 . A A . 8 PHE C 1 1 15 5422 1 1 8 PHE CA C -6.806 3.484 -0.022 1.00 . A A . 8 PHE CA 1 1 15 5423 1 1 8 PHE CB C -8.142 3.832 0.688 1.00 . A A . 8 PHE CB 1 1 15 5424 1 1 8 PHE CD1 C -7.591 6.319 0.713 1.00 . A A . 8 PHE CD1 1 1 15 5425 1 1 8 PHE CD2 C -9.820 5.619 0.079 1.00 . A A . 8 PHE CD2 1 1 15 5426 1 1 8 PHE CE1 C -7.954 7.656 0.512 1.00 . A A . 8 PHE CE1 1 1 15 5427 1 1 8 PHE CE2 C -10.184 6.956 -0.122 1.00 . A A . 8 PHE CE2 1 1 15 5428 1 1 8 PHE CG C -8.515 5.281 0.483 1.00 . A A . 8 PHE CG 1 1 15 5429 1 1 8 PHE CZ C -9.250 7.975 0.091 1.00 . A A . 8 PHE CZ 1 1 15 5430 1 1 8 PHE H H -7.749 3.574 -1.879 1.00 . A A . 8 PHE H 1 1 15 5431 1 1 8 PHE HA H -6.003 4.079 0.389 1.00 . A A . 8 PHE HA 1 1 15 5432 1 1 8 PHE HB2 H -8.960 3.193 0.290 1.00 . A A . 8 PHE HB2 1 1 15 5433 1 1 8 PHE HB3 H -8.056 3.667 1.783 1.00 . A A . 8 PHE HB3 1 1 15 5434 1 1 8 PHE HD1 H -6.589 6.096 1.048 1.00 . A A . 8 PHE HD1 1 1 15 5435 1 1 8 PHE HD2 H -10.550 4.840 -0.082 1.00 . A A . 8 PHE HD2 1 1 15 5436 1 1 8 PHE HE1 H -7.235 8.443 0.686 1.00 . A A . 8 PHE HE1 1 1 15 5437 1 1 8 PHE HE2 H -11.185 7.201 -0.441 1.00 . A A . 8 PHE HE2 1 1 15 5438 1 1 8 PHE HZ H -9.530 9.006 -0.065 1.00 . A A . 8 PHE HZ 1 1 15 5439 1 1 8 PHE N N -6.861 3.699 -1.448 1.00 . A A . 8 PHE N 1 1 15 5440 1 1 8 PHE O O -6.214 1.672 1.399 1.00 . A A . 8 PHE O 1 1 15 5441 1 1 9 GLY C C -4.689 -0.317 -1.039 1.00 . A A . 9 GLY C 1 1 15 5442 1 1 9 GLY CA C -6.147 -0.210 -0.705 1.00 . A A . 9 GLY CA 1 1 15 5443 1 1 9 GLY H H -6.800 1.489 -1.695 1.00 . A A . 9 GLY H 1 1 15 5444 1 1 9 GLY HA2 H -6.313 -0.581 0.297 1.00 . A A . 9 GLY HA2 1 1 15 5445 1 1 9 GLY HA3 H -6.710 -0.739 -1.460 1.00 . A A . 9 GLY HA3 1 1 15 5446 1 1 9 GLY N N -6.537 1.175 -0.786 1.00 . A A . 9 GLY N 1 1 15 5447 1 1 9 GLY O O -3.970 -1.139 -0.473 1.00 . A A . 9 GLY O 1 1 15 5448 1 1 10 HIS C C -2.029 1.514 -1.671 1.00 . A A . 10 HIS C 1 1 15 5449 1 1 10 HIS CA C -2.870 0.555 -2.482 1.00 . A A . 10 HIS CA 1 1 15 5450 1 1 10 HIS CB C -2.860 0.985 -3.973 1.00 . A A . 10 HIS CB 1 1 15 5451 1 1 10 HIS CD2 C -1.085 -0.360 -5.301 1.00 . A A . 10 HIS CD2 1 1 15 5452 1 1 10 HIS CE1 C 0.343 1.174 -5.726 1.00 . A A . 10 HIS CE1 1 1 15 5453 1 1 10 HIS CG C -1.570 0.772 -4.724 1.00 . A A . 10 HIS CG 1 1 15 5454 1 1 10 HIS H H -4.836 1.195 -2.413 1.00 . A A . 10 HIS H 1 1 15 5455 1 1 10 HIS HA H -2.451 -0.438 -2.398 1.00 . A A . 10 HIS HA 1 1 15 5456 1 1 10 HIS HB2 H -3.618 0.363 -4.500 1.00 . A A . 10 HIS HB2 1 1 15 5457 1 1 10 HIS HB3 H -3.186 2.044 -4.067 1.00 . A A . 10 HIS HB3 1 1 15 5458 1 1 10 HIS HD1 H -0.704 2.716 -4.720 1.00 . A A . 10 HIS HD1 1 1 15 5459 1 1 10 HIS HD2 H -1.508 -1.357 -5.326 1.00 . A A . 10 HIS HD2 1 1 15 5460 1 1 10 HIS HE1 H 1.213 1.722 -6.085 1.00 . A A . 10 HIS HE1 1 1 15 5461 1 1 10 HIS N N -4.226 0.534 -1.987 1.00 . A A . 10 HIS N 1 1 15 5462 1 1 10 HIS ND1 N -0.645 1.758 -5.005 1.00 . A A . 10 HIS ND1 1 1 15 5463 1 1 10 HIS NE2 N 0.120 -0.109 -5.934 1.00 . A A . 10 HIS NE2 1 1 15 5464 1 1 10 HIS O O -0.892 1.798 -2.033 1.00 . A A . 10 HIS O 1 1 15 5465 1 1 11 ILE C C -0.666 2.570 0.935 1.00 . A A . 11 ILE C 1 1 15 5466 1 1 11 ILE CA C -1.933 3.063 0.268 1.00 . A A . 11 ILE CA 1 1 15 5467 1 1 11 ILE CB C -2.910 3.663 1.284 1.00 . A A . 11 ILE CB 1 1 15 5468 1 1 11 ILE CD1 C -2.247 6.139 0.926 1.00 . A A . 11 ILE CD1 1 1 15 5469 1 1 11 ILE CG1 C -2.416 4.987 1.920 1.00 . A A . 11 ILE CG1 1 1 15 5470 1 1 11 ILE CG2 C -3.309 2.631 2.365 1.00 . A A . 11 ILE CG2 1 1 15 5471 1 1 11 ILE H H -3.464 1.750 -0.222 1.00 . A A . 11 ILE H 1 1 15 5472 1 1 11 ILE HA H -1.651 3.840 -0.428 1.00 . A A . 11 ILE HA 1 1 15 5473 1 1 11 ILE HB H -3.841 3.913 0.724 1.00 . A A . 11 ILE HB 1 1 15 5474 1 1 11 ILE HD11 H -2.007 7.080 1.467 1.00 . A A . 11 ILE HD11 1 1 15 5475 1 1 11 ILE HD12 H -3.184 6.293 0.349 1.00 . A A . 11 ILE HD12 1 1 15 5476 1 1 11 ILE HD13 H -1.420 5.930 0.215 1.00 . A A . 11 ILE HD13 1 1 15 5477 1 1 11 ILE HG12 H -3.169 5.299 2.681 1.00 . A A . 11 ILE HG12 1 1 15 5478 1 1 11 ILE HG13 H -1.457 4.812 2.453 1.00 . A A . 11 ILE HG13 1 1 15 5479 1 1 11 ILE HG21 H -3.638 1.678 1.903 1.00 . A A . 11 ILE HG21 1 1 15 5480 1 1 11 ILE HG22 H -4.146 3.031 2.976 1.00 . A A . 11 ILE HG22 1 1 15 5481 1 1 11 ILE HG23 H -2.457 2.422 3.045 1.00 . A A . 11 ILE HG23 1 1 15 5482 1 1 11 ILE N N -2.558 2.030 -0.533 1.00 . A A . 11 ILE N 1 1 15 5483 1 1 11 ILE O O 0.292 3.325 1.089 1.00 . A A . 11 ILE O 1 1 15 5484 1 1 12 GLN C C 1.567 0.300 1.009 1.00 . A A . 12 GLN C 1 1 15 5485 1 1 12 GLN CA C 0.481 0.648 1.994 1.00 . A A . 12 GLN CA 1 1 15 5486 1 1 12 GLN CB C 0.024 -0.637 2.731 1.00 . A A . 12 GLN CB 1 1 15 5487 1 1 12 GLN CD C 1.633 -0.386 4.662 1.00 . A A . 12 GLN CD 1 1 15 5488 1 1 12 GLN CG C 1.095 -1.343 3.589 1.00 . A A . 12 GLN CG 1 1 15 5489 1 1 12 GLN H H -1.407 0.669 1.147 1.00 . A A . 12 GLN H 1 1 15 5490 1 1 12 GLN HA H 0.874 1.357 2.710 1.00 . A A . 12 GLN HA 1 1 15 5491 1 1 12 GLN HB2 H -0.828 -0.366 3.394 1.00 . A A . 12 GLN HB2 1 1 15 5492 1 1 12 GLN HB3 H -0.365 -1.365 1.985 1.00 . A A . 12 GLN HB3 1 1 15 5493 1 1 12 GLN HE21 H 3.536 -0.497 3.886 1.00 . A A . 12 GLN HE21 1 1 15 5494 1 1 12 GLN HE22 H 3.375 0.520 5.279 1.00 . A A . 12 GLN HE22 1 1 15 5495 1 1 12 GLN HG2 H 0.634 -2.218 4.095 1.00 . A A . 12 GLN HG2 1 1 15 5496 1 1 12 GLN HG3 H 1.918 -1.715 2.944 1.00 . A A . 12 GLN HG3 1 1 15 5497 1 1 12 GLN N N -0.627 1.268 1.310 1.00 . A A . 12 GLN N 1 1 15 5498 1 1 12 GLN NE2 N 2.969 -0.097 4.604 1.00 . A A . 12 GLN NE2 1 1 15 5499 1 1 12 GLN O O 2.742 0.258 1.366 1.00 . A A . 12 GLN O 1 1 15 5500 1 1 12 GLN OE1 O 0.876 0.082 5.521 1.00 . A A . 12 GLN OE1 1 1 15 5501 1 1 13 VAL C C 2.966 0.803 -1.751 1.00 . A A . 13 VAL C 1 1 15 5502 1 1 13 VAL CA C 2.088 -0.351 -1.330 1.00 . A A . 13 VAL CA 1 1 15 5503 1 1 13 VAL CB C 1.343 -0.916 -2.538 1.00 . A A . 13 VAL CB 1 1 15 5504 1 1 13 VAL CG1 C 2.335 -1.523 -3.557 1.00 . A A . 13 VAL CG1 1 1 15 5505 1 1 13 VAL CG2 C 0.335 -1.983 -2.059 1.00 . A A . 13 VAL CG2 1 1 15 5506 1 1 13 VAL H H 0.236 0.153 -0.542 1.00 . A A . 13 VAL H 1 1 15 5507 1 1 13 VAL HA H 2.727 -1.110 -0.918 1.00 . A A . 13 VAL HA 1 1 15 5508 1 1 13 VAL HB H 0.768 -0.106 -3.042 1.00 . A A . 13 VAL HB 1 1 15 5509 1 1 13 VAL HG11 H 1.776 -2.019 -4.379 1.00 . A A . 13 VAL HG11 1 1 15 5510 1 1 13 VAL HG12 H 2.981 -2.279 -3.065 1.00 . A A . 13 VAL HG12 1 1 15 5511 1 1 13 VAL HG13 H 2.980 -0.741 -4.010 1.00 . A A . 13 VAL HG13 1 1 15 5512 1 1 13 VAL HG21 H -0.464 -1.538 -1.430 1.00 . A A . 13 VAL HG21 1 1 15 5513 1 1 13 VAL HG22 H 0.856 -2.771 -1.476 1.00 . A A . 13 VAL HG22 1 1 15 5514 1 1 13 VAL HG23 H -0.153 -2.458 -2.936 1.00 . A A . 13 VAL HG23 1 1 15 5515 1 1 13 VAL N N 1.192 0.065 -0.272 1.00 . A A . 13 VAL N 1 1 15 5516 1 1 13 VAL O O 4.105 0.611 -2.169 1.00 . A A . 13 VAL O 1 1 15 5517 1 1 14 LYS C C 4.241 3.520 -0.917 1.00 . A A . 14 LYS C 1 1 15 5518 1 1 14 LYS CA C 3.128 3.276 -1.905 1.00 . A A . 14 LYS CA 1 1 15 5519 1 1 14 LYS CB C 2.174 4.492 -1.855 1.00 . A A . 14 LYS CB 1 1 15 5520 1 1 14 LYS CD C -0.058 5.441 -2.679 1.00 . A A . 14 LYS CD 1 1 15 5521 1 1 14 LYS CE C -1.269 5.217 -3.595 1.00 . A A . 14 LYS CE 1 1 15 5522 1 1 14 LYS CG C 1.079 4.440 -2.931 1.00 . A A . 14 LYS CG 1 1 15 5523 1 1 14 LYS H H 1.530 2.117 -1.218 1.00 . A A . 14 LYS H 1 1 15 5524 1 1 14 LYS HA H 3.556 3.191 -2.894 1.00 . A A . 14 LYS HA 1 1 15 5525 1 1 14 LYS HB2 H 1.687 4.524 -0.855 1.00 . A A . 14 LYS HB2 1 1 15 5526 1 1 14 LYS HB3 H 2.746 5.436 -1.988 1.00 . A A . 14 LYS HB3 1 1 15 5527 1 1 14 LYS HD2 H -0.387 5.325 -1.621 1.00 . A A . 14 LYS HD2 1 1 15 5528 1 1 14 LYS HD3 H 0.332 6.474 -2.805 1.00 . A A . 14 LYS HD3 1 1 15 5529 1 1 14 LYS HE2 H -0.993 5.385 -4.656 1.00 . A A . 14 LYS HE2 1 1 15 5530 1 1 14 LYS HE3 H -1.659 4.185 -3.474 1.00 . A A . 14 LYS HE3 1 1 15 5531 1 1 14 LYS HG2 H 1.528 4.620 -3.931 1.00 . A A . 14 LYS HG2 1 1 15 5532 1 1 14 LYS HG3 H 0.639 3.421 -2.944 1.00 . A A . 14 LYS HG3 1 1 15 5533 1 1 14 LYS HZ1 H -2.043 7.130 -3.377 1.00 . A A . 14 LYS HZ1 1 1 15 5534 1 1 14 LYS HZ2 H -2.661 6.000 -2.271 1.00 . A A . 14 LYS HZ2 1 1 15 5535 1 1 14 LYS HZ3 H -3.179 5.975 -3.888 1.00 . A A . 14 LYS HZ3 1 1 15 5536 1 1 14 LYS N N 2.447 2.037 -1.596 1.00 . A A . 14 LYS N 1 1 15 5537 1 1 14 LYS NZ N -2.370 6.151 -3.258 1.00 . A A . 14 LYS NZ 1 1 15 5538 1 1 14 LYS O O 5.331 3.932 -1.301 1.00 . A A . 14 LYS O 1 1 15 5539 1 1 15 VAL C C 6.015 2.369 1.375 1.00 . A A . 15 VAL C 1 1 15 5540 1 1 15 VAL CA C 4.923 3.412 1.475 1.00 . A A . 15 VAL CA 1 1 15 5541 1 1 15 VAL CB C 4.222 3.317 2.829 1.00 . A A . 15 VAL CB 1 1 15 5542 1 1 15 VAL CG1 C 5.220 3.472 3.998 1.00 . A A . 15 VAL CG1 1 1 15 5543 1 1 15 VAL CG2 C 3.136 4.412 2.898 1.00 . A A . 15 VAL CG2 1 1 15 5544 1 1 15 VAL H H 3.092 2.888 0.657 1.00 . A A . 15 VAL H 1 1 15 5545 1 1 15 VAL HA H 5.373 4.390 1.373 1.00 . A A . 15 VAL HA 1 1 15 5546 1 1 15 VAL HB H 3.721 2.327 2.922 1.00 . A A . 15 VAL HB 1 1 15 5547 1 1 15 VAL HG11 H 5.791 4.418 3.894 1.00 . A A . 15 VAL HG11 1 1 15 5548 1 1 15 VAL HG12 H 5.933 2.622 4.034 1.00 . A A . 15 VAL HG12 1 1 15 5549 1 1 15 VAL HG13 H 4.670 3.496 4.962 1.00 . A A . 15 VAL HG13 1 1 15 5550 1 1 15 VAL HG21 H 2.622 4.374 3.881 1.00 . A A . 15 VAL HG21 1 1 15 5551 1 1 15 VAL HG22 H 2.374 4.279 2.106 1.00 . A A . 15 VAL HG22 1 1 15 5552 1 1 15 VAL HG23 H 3.596 5.417 2.780 1.00 . A A . 15 VAL HG23 1 1 15 5553 1 1 15 VAL N N 3.984 3.238 0.384 1.00 . A A . 15 VAL N 1 1 15 5554 1 1 15 VAL O O 7.177 2.643 1.671 1.00 . A A . 15 VAL O 1 1 15 5555 1 1 16 PHE C C 7.472 0.211 -0.395 1.00 . A A . 16 PHE C 1 1 15 5556 1 1 16 PHE CA C 6.530 0.010 0.774 1.00 . A A . 16 PHE CA 1 1 15 5557 1 1 16 PHE CB C 5.690 -1.277 0.549 1.00 . A A . 16 PHE CB 1 1 15 5558 1 1 16 PHE CD1 C 6.711 -2.997 2.090 1.00 . A A . 16 PHE CD1 1 1 15 5559 1 1 16 PHE CD2 C 6.928 -3.318 -0.301 1.00 . A A . 16 PHE CD2 1 1 15 5560 1 1 16 PHE CE1 C 7.380 -4.207 2.315 1.00 . A A . 16 PHE CE1 1 1 15 5561 1 1 16 PHE CE2 C 7.604 -4.524 -0.079 1.00 . A A . 16 PHE CE2 1 1 15 5562 1 1 16 PHE CG C 6.471 -2.545 0.781 1.00 . A A . 16 PHE CG 1 1 15 5563 1 1 16 PHE CZ C 7.825 -4.972 1.230 1.00 . A A . 16 PHE CZ 1 1 15 5564 1 1 16 PHE H H 4.702 0.969 0.667 1.00 . A A . 16 PHE H 1 1 15 5565 1 1 16 PHE HA H 7.107 -0.073 1.686 1.00 . A A . 16 PHE HA 1 1 15 5566 1 1 16 PHE HB2 H 4.849 -1.285 1.277 1.00 . A A . 16 PHE HB2 1 1 15 5567 1 1 16 PHE HB3 H 5.252 -1.293 -0.472 1.00 . A A . 16 PHE HB3 1 1 15 5568 1 1 16 PHE HD1 H 6.359 -2.418 2.932 1.00 . A A . 16 PHE HD1 1 1 15 5569 1 1 16 PHE HD2 H 6.748 -2.985 -1.312 1.00 . A A . 16 PHE HD2 1 1 15 5570 1 1 16 PHE HE1 H 7.550 -4.550 3.323 1.00 . A A . 16 PHE HE1 1 1 15 5571 1 1 16 PHE HE2 H 7.951 -5.111 -0.916 1.00 . A A . 16 PHE HE2 1 1 15 5572 1 1 16 PHE HZ H 8.345 -5.903 1.403 1.00 . A A . 16 PHE HZ 1 1 15 5573 1 1 16 PHE N N 5.650 1.147 0.919 1.00 . A A . 16 PHE N 1 1 15 5574 1 1 16 PHE O O 8.573 -0.333 -0.407 1.00 . A A . 16 PHE O 1 1 15 5575 1 1 17 ASN C C 8.821 2.362 -2.331 1.00 . A A . 17 ASN C 1 1 15 5576 1 1 17 ASN CA C 7.803 1.281 -2.605 1.00 . A A . 17 ASN CA 1 1 15 5577 1 1 17 ASN CB C 6.858 1.736 -3.752 1.00 . A A . 17 ASN CB 1 1 15 5578 1 1 17 ASN CG C 7.563 1.715 -5.117 1.00 . A A . 17 ASN CG 1 1 15 5579 1 1 17 ASN H H 6.156 1.449 -1.362 1.00 . A A . 17 ASN H 1 1 15 5580 1 1 17 ASN HA H 8.319 0.373 -2.885 1.00 . A A . 17 ASN HA 1 1 15 5581 1 1 17 ASN HB2 H 5.991 1.042 -3.794 1.00 . A A . 17 ASN HB2 1 1 15 5582 1 1 17 ASN HB3 H 6.464 2.756 -3.555 1.00 . A A . 17 ASN HB3 1 1 15 5583 1 1 17 ASN HD21 H 7.113 -0.279 -5.345 1.00 . A A . 17 ASN HD21 1 1 15 5584 1 1 17 ASN HD22 H 8.019 0.419 -6.649 1.00 . A A . 17 ASN HD22 1 1 15 5585 1 1 17 ASN N N 7.051 1.011 -1.402 1.00 . A A . 17 ASN N 1 1 15 5586 1 1 17 ASN ND2 N 7.573 0.507 -5.759 1.00 . A A . 17 ASN ND2 1 1 15 5587 1 1 17 ASN O O 9.964 2.271 -2.777 1.00 . A A . 17 ASN O 1 1 15 5588 1 1 17 ASN OD1 O 8.075 2.739 -5.582 1.00 . A A . 17 ASN OD1 1 1 15 5589 1 1 18 HIS C C 10.301 4.278 -0.329 1.00 . A A . 18 HIS C 1 1 15 5590 1 1 18 HIS CA C 9.199 4.592 -1.305 1.00 . A A . 18 HIS CA 1 1 15 5591 1 1 18 HIS CB C 8.345 5.733 -0.707 1.00 . A A . 18 HIS CB 1 1 15 5592 1 1 18 HIS CD2 C 7.024 5.960 -2.946 1.00 . A A . 18 HIS CD2 1 1 15 5593 1 1 18 HIS CE1 C 5.423 7.224 -2.301 1.00 . A A . 18 HIS CE1 1 1 15 5594 1 1 18 HIS CG C 7.244 6.201 -1.623 1.00 . A A . 18 HIS CG 1 1 15 5595 1 1 18 HIS H H 7.481 3.440 -1.213 1.00 . A A . 18 HIS H 1 1 15 5596 1 1 18 HIS HA H 9.644 4.925 -2.233 1.00 . A A . 18 HIS HA 1 1 15 5597 1 1 18 HIS HB2 H 7.879 5.385 0.241 1.00 . A A . 18 HIS HB2 1 1 15 5598 1 1 18 HIS HB3 H 8.990 6.610 -0.477 1.00 . A A . 18 HIS HB3 1 1 15 5599 1 1 18 HIS HD1 H 6.079 7.383 -0.292 1.00 . A A . 18 HIS HD1 1 1 15 5600 1 1 18 HIS HD2 H 7.596 5.371 -3.651 1.00 . A A . 18 HIS HD2 1 1 15 5601 1 1 18 HIS HE1 H 4.522 7.835 -2.267 1.00 . A A . 18 HIS HE1 1 1 15 5602 1 1 18 HIS N N 8.408 3.414 -1.581 1.00 . A A . 18 HIS N 1 1 15 5603 1 1 18 HIS ND1 N 6.212 7.020 -1.216 1.00 . A A . 18 HIS ND1 1 1 15 5604 1 1 18 HIS NE2 N 5.874 6.602 -3.372 1.00 . A A . 18 HIS NE2 1 1 15 5605 1 1 18 HIS O O 11.419 4.771 -0.469 1.00 . A A . 18 HIS O 1 1 15 5606 1 1 19 GLY C C 11.842 1.906 1.084 1.00 . A A . 19 GLY C 1 1 15 5607 1 1 19 GLY CA C 10.954 2.971 1.661 1.00 . A A . 19 GLY CA 1 1 15 5608 1 1 19 GLY H H 9.085 3.036 0.765 1.00 . A A . 19 GLY H 1 1 15 5609 1 1 19 GLY HA2 H 11.562 3.810 1.968 1.00 . A A . 19 GLY HA2 1 1 15 5610 1 1 19 GLY HA3 H 10.385 2.535 2.469 1.00 . A A . 19 GLY HA3 1 1 15 5611 1 1 19 GLY N N 10.002 3.420 0.674 1.00 . A A . 19 GLY N 1 1 15 5612 1 1 19 GLY O O 12.988 1.759 1.507 1.00 . A A . 19 GLY O 1 1 15 5613 1 1 20 GLU C C 12.194 -1.087 0.232 1.00 . A A . 20 GLU C 1 1 15 5614 1 1 20 GLU CA C 11.971 0.109 -0.651 1.00 . A A . 20 GLU CA 1 1 15 5615 1 1 20 GLU CB C 13.249 0.552 -1.414 1.00 . A A . 20 GLU CB 1 1 15 5616 1 1 20 GLU CD C 12.755 -0.834 -3.469 1.00 . A A . 20 GLU CD 1 1 15 5617 1 1 20 GLU CG C 13.804 -0.485 -2.413 1.00 . A A . 20 GLU CG 1 1 15 5618 1 1 20 GLU H H 10.357 1.285 -0.183 1.00 . A A . 20 GLU H 1 1 15 5619 1 1 20 GLU HA H 11.249 -0.174 -1.401 1.00 . A A . 20 GLU HA 1 1 15 5620 1 1 20 GLU HB2 H 13.009 1.484 -1.974 1.00 . A A . 20 GLU HB2 1 1 15 5621 1 1 20 GLU HB3 H 14.049 0.805 -0.685 1.00 . A A . 20 GLU HB3 1 1 15 5622 1 1 20 GLU HG2 H 14.701 -0.066 -2.918 1.00 . A A . 20 GLU HG2 1 1 15 5623 1 1 20 GLU HG3 H 14.111 -1.404 -1.870 1.00 . A A . 20 GLU HG3 1 1 15 5624 1 1 20 GLU N N 11.305 1.147 0.096 1.00 . A A . 20 GLU N 1 1 15 5625 1 1 20 GLU O O 13.311 -1.355 0.673 1.00 . A A . 20 GLU O 1 1 15 5626 1 1 20 GLU OE1 O 12.346 0.086 -4.227 1.00 . A A . 20 GLU OE1 1 1 15 5627 1 1 20 GLU OE2 O 12.347 -2.025 -3.528 1.00 . A A . 20 GLU OE2 1 1 15 5628 1 1 21 HIS C C 11.395 -2.946 2.700 1.00 . A A . 21 HIS C 1 1 15 5629 1 1 21 HIS CA C 10.971 -3.034 1.255 1.00 . A A . 21 HIS CA 1 1 15 5630 1 1 21 HIS CB C 11.559 -4.275 0.533 1.00 . A A . 21 HIS CB 1 1 15 5631 1 1 21 HIS CD2 C 14.065 -4.234 1.254 1.00 . A A . 21 HIS CD2 1 1 15 5632 1 1 21 HIS CE1 C 15.009 -4.288 -0.664 1.00 . A A . 21 HIS CE1 1 1 15 5633 1 1 21 HIS CG C 13.056 -4.266 0.340 1.00 . A A . 21 HIS CG 1 1 15 5634 1 1 21 HIS H H 10.205 -1.509 0.132 1.00 . A A . 21 HIS H 1 1 15 5635 1 1 21 HIS HA H 9.907 -3.202 1.287 1.00 . A A . 21 HIS HA 1 1 15 5636 1 1 21 HIS HB2 H 11.280 -5.204 1.074 1.00 . A A . 21 HIS HB2 1 1 15 5637 1 1 21 HIS HB3 H 11.076 -4.323 -0.469 1.00 . A A . 21 HIS HB3 1 1 15 5638 1 1 21 HIS HD1 H 13.209 -4.332 -1.780 1.00 . A A . 21 HIS HD1 1 1 15 5639 1 1 21 HIS HD2 H 14.024 -4.194 2.335 1.00 . A A . 21 HIS HD2 1 1 15 5640 1 1 21 HIS HE1 H 15.745 -4.310 -1.467 1.00 . A A . 21 HIS HE1 1 1 15 5641 1 1 21 HIS N N 11.081 -1.808 0.503 1.00 . A A . 21 HIS N 1 1 15 5642 1 1 21 HIS ND1 N 13.673 -4.305 -0.893 1.00 . A A . 21 HIS ND1 1 1 15 5643 1 1 21 HIS NE2 N 15.296 -4.245 0.623 1.00 . A A . 21 HIS NE2 1 1 15 5644 1 1 21 HIS O O 11.933 -1.939 3.162 1.00 . A A . 21 HIS O 1 1 15 5645 1 1 22 ILE C C 12.559 -5.238 4.952 1.00 . A A . 22 ILE C 1 1 15 5646 1 1 22 ILE CA C 11.492 -4.182 4.845 1.00 . A A . 22 ILE CA 1 1 15 5647 1 1 22 ILE CB C 10.330 -4.492 5.792 1.00 . A A . 22 ILE CB 1 1 15 5648 1 1 22 ILE CD1 C 8.549 -6.199 6.551 1.00 . A A . 22 ILE CD1 1 1 15 5649 1 1 22 ILE CG1 C 9.602 -5.833 5.498 1.00 . A A . 22 ILE CG1 1 1 15 5650 1 1 22 ILE CG2 C 9.379 -3.275 5.764 1.00 . A A . 22 ILE CG2 1 1 15 5651 1 1 22 ILE H H 10.637 -4.804 3.045 1.00 . A A . 22 ILE H 1 1 15 5652 1 1 22 ILE HA H 11.952 -3.267 5.175 1.00 . A A . 22 ILE HA 1 1 15 5653 1 1 22 ILE HB H 10.741 -4.561 6.828 1.00 . A A . 22 ILE HB 1 1 15 5654 1 1 22 ILE HD11 H 8.114 -7.195 6.324 1.00 . A A . 22 ILE HD11 1 1 15 5655 1 1 22 ILE HD12 H 7.725 -5.454 6.561 1.00 . A A . 22 ILE HD12 1 1 15 5656 1 1 22 ILE HD13 H 9.009 -6.237 7.560 1.00 . A A . 22 ILE HD13 1 1 15 5657 1 1 22 ILE HG12 H 9.104 -5.784 4.508 1.00 . A A . 22 ILE HG12 1 1 15 5658 1 1 22 ILE HG13 H 10.348 -6.658 5.468 1.00 . A A . 22 ILE HG13 1 1 15 5659 1 1 22 ILE HG21 H 8.589 -3.376 6.536 1.00 . A A . 22 ILE HG21 1 1 15 5660 1 1 22 ILE HG22 H 8.890 -3.179 4.772 1.00 . A A . 22 ILE HG22 1 1 15 5661 1 1 22 ILE HG23 H 9.945 -2.341 5.970 1.00 . A A . 22 ILE HG23 1 1 15 5662 1 1 22 ILE N N 11.114 -4.033 3.456 1.00 . A A . 22 ILE N 1 1 15 5663 1 1 22 ILE O O 13.320 -5.263 5.917 1.00 . A A . 22 ILE O 1 1 15 5664 1 1 23 HIS C C 13.788 -7.436 2.401 1.00 . A A . 23 HIS C 1 1 15 5665 1 1 23 HIS CA C 13.606 -7.178 3.866 1.00 . A A . 23 HIS CA 1 1 15 5666 1 1 23 HIS CB C 13.151 -8.472 4.589 1.00 . A A . 23 HIS CB 1 1 15 5667 1 1 23 HIS CD2 C 15.208 -9.800 5.458 1.00 . A A . 23 HIS CD2 1 1 15 5668 1 1 23 HIS CE1 C 15.320 -11.347 3.986 1.00 . A A . 23 HIS CE1 1 1 15 5669 1 1 23 HIS CG C 14.178 -9.575 4.597 1.00 . A A . 23 HIS CG 1 1 15 5670 1 1 23 HIS H H 12.041 -6.050 3.152 1.00 . A A . 23 HIS H 1 1 15 5671 1 1 23 HIS HA H 14.535 -6.811 4.269 1.00 . A A . 23 HIS HA 1 1 15 5672 1 1 23 HIS HB2 H 12.936 -8.213 5.650 1.00 . A A . 23 HIS HB2 1 1 15 5673 1 1 23 HIS HB3 H 12.206 -8.847 4.138 1.00 . A A . 23 HIS HB3 1 1 15 5674 1 1 23 HIS HD1 H 13.645 -10.691 2.867 1.00 . A A . 23 HIS HD1 1 1 15 5675 1 1 23 HIS HD2 H 15.509 -9.243 6.337 1.00 . A A . 23 HIS HD2 1 1 15 5676 1 1 23 HIS HE1 H 15.621 -12.216 3.403 1.00 . A A . 23 HIS HE1 1 1 15 5677 1 1 23 HIS N N 12.638 -6.126 3.939 1.00 . A A . 23 HIS N 1 1 15 5678 1 1 23 HIS ND1 N 14.256 -10.575 3.651 1.00 . A A . 23 HIS ND1 1 1 15 5679 1 1 23 HIS NE2 N 15.928 -10.917 5.074 1.00 . A A . 23 HIS NE2 1 1 15 5680 1 1 23 HIS O O 12.830 -7.383 1.629 1.00 . A A . 23 HIS O 1 1 15 5681 1 1 24 HIS C C 15.098 -9.364 0.220 1.00 . A A . 24 HIS C 1 1 15 5682 1 1 24 HIS CA C 15.392 -7.897 0.598 1.00 . A A . 24 HIS CA 1 1 15 5683 1 1 24 HIS CB C 16.886 -7.612 0.324 1.00 . A A . 24 HIS CB 1 1 15 5684 1 1 24 HIS CD2 C 18.060 -8.599 -1.773 1.00 . A A . 24 HIS CD2 1 1 15 5685 1 1 24 HIS CE1 C 17.293 -7.296 -3.287 1.00 . A A . 24 HIS CE1 1 1 15 5686 1 1 24 HIS CG C 17.252 -7.711 -1.132 1.00 . A A . 24 HIS CG 1 1 15 5687 1 1 24 HIS H H 15.807 -7.751 2.626 1.00 . A A . 24 HIS H 1 1 15 5688 1 1 24 HIS HA H 14.796 -7.221 -0.002 1.00 . A A . 24 HIS HA 1 1 15 5689 1 1 24 HIS HB2 H 17.125 -6.583 0.670 1.00 . A A . 24 HIS HB2 1 1 15 5690 1 1 24 HIS HB3 H 17.518 -8.317 0.905 1.00 . A A . 24 HIS HB3 1 1 15 5691 1 1 24 HIS HD1 H 16.129 -6.112 -1.970 1.00 . A A . 24 HIS HD1 1 1 15 5692 1 1 24 HIS HD2 H 18.631 -9.427 -1.371 1.00 . A A . 24 HIS HD2 1 1 15 5693 1 1 24 HIS HE1 H 17.075 -6.815 -4.239 1.00 . A A . 24 HIS HE1 1 1 15 5694 1 1 24 HIS N N 15.047 -7.703 1.984 1.00 . A A . 24 HIS N 1 1 15 5695 1 1 24 HIS ND1 N 16.761 -6.875 -2.113 1.00 . A A . 24 HIS ND1 1 1 15 5696 1 1 24 HIS NE2 N 18.087 -8.339 -3.131 1.00 . A A . 24 HIS NE2 1 1 15 5697 1 1 24 HIS O O 15.695 -10.290 0.781 1.00 . A A . 24 HIS O 1 1 15 5698 1 1 25 NH2 HN1 H 13.925 -10.487 -1.044 1.00 . A A . 25 NH2 HN1 1 1 15 5699 1 1 25 NH2 HN2 H 13.706 -8.772 -1.176 1.00 . A A . 25 NH2 HN2 1 1 15 5700 1 1 25 NH2 N N 14.158 -9.558 -0.754 1.00 . A A . 25 NH2 N 1 1 16 5701 1 1 1 ACE C C -15.329 -6.074 5.146 1.00 . A A . 1 ACE C 1 1 16 5702 1 1 1 ACE CH3 C -14.208 -5.279 5.733 1.00 . A A . 1 ACE CH3 1 1 16 5703 1 1 1 ACE H1 H -14.552 -4.745 6.646 1.00 . A A . 1 ACE H1 1 1 16 5704 1 1 1 ACE H2 H -13.364 -5.948 6.008 1.00 . A A . 1 ACE H2 1 1 16 5705 1 1 1 ACE H3 H -13.841 -4.530 4.997 1.00 . A A . 1 ACE H3 1 1 16 5706 1 1 1 ACE O O -15.226 -7.291 4.995 1.00 . A A . 1 ACE O 1 1 16 5707 1 1 2 PHE C C -17.304 -6.122 2.684 1.00 . A A . 2 PHE C 1 1 16 5708 1 1 2 PHE CA C -17.594 -5.961 4.156 1.00 . A A . 2 PHE CA 1 1 16 5709 1 1 2 PHE CB C -18.914 -5.162 4.401 1.00 . A A . 2 PHE CB 1 1 16 5710 1 1 2 PHE CD1 C -18.268 -2.750 4.882 1.00 . A A . 2 PHE CD1 1 1 16 5711 1 1 2 PHE CD2 C -19.367 -3.260 2.786 1.00 . A A . 2 PHE CD2 1 1 16 5712 1 1 2 PHE CE1 C -18.192 -1.401 4.515 1.00 . A A . 2 PHE CE1 1 1 16 5713 1 1 2 PHE CE2 C -19.290 -1.913 2.415 1.00 . A A . 2 PHE CE2 1 1 16 5714 1 1 2 PHE CG C -18.845 -3.698 4.017 1.00 . A A . 2 PHE CG 1 1 16 5715 1 1 2 PHE CZ C -18.700 -0.982 3.280 1.00 . A A . 2 PHE CZ 1 1 16 5716 1 1 2 PHE H H -16.485 -4.392 4.935 1.00 . A A . 2 PHE H 1 1 16 5717 1 1 2 PHE HA H -17.738 -6.949 4.571 1.00 . A A . 2 PHE HA 1 1 16 5718 1 1 2 PHE HB2 H -19.753 -5.637 3.847 1.00 . A A . 2 PHE HB2 1 1 16 5719 1 1 2 PHE HB3 H -19.158 -5.205 5.484 1.00 . A A . 2 PHE HB3 1 1 16 5720 1 1 2 PHE HD1 H -17.871 -3.065 5.836 1.00 . A A . 2 PHE HD1 1 1 16 5721 1 1 2 PHE HD2 H -19.817 -3.973 2.111 1.00 . A A . 2 PHE HD2 1 1 16 5722 1 1 2 PHE HE1 H -17.741 -0.684 5.185 1.00 . A A . 2 PHE HE1 1 1 16 5723 1 1 2 PHE HE2 H -19.684 -1.591 1.463 1.00 . A A . 2 PHE HE2 1 1 16 5724 1 1 2 PHE HZ H -18.641 0.058 2.996 1.00 . A A . 2 PHE HZ 1 1 16 5725 1 1 2 PHE N N -16.432 -5.377 4.789 1.00 . A A . 2 PHE N 1 1 16 5726 1 1 2 PHE O O -17.531 -7.186 2.110 1.00 . A A . 2 PHE O 1 1 16 5727 1 1 3 GLU C C -14.861 -5.489 0.719 1.00 . A A . 3 GLU C 1 1 16 5728 1 1 3 GLU CA C -16.296 -5.048 0.696 1.00 . A A . 3 GLU CA 1 1 16 5729 1 1 3 GLU CB C -16.411 -3.640 0.061 1.00 . A A . 3 GLU CB 1 1 16 5730 1 1 3 GLU CD C -16.181 -2.191 -2.016 1.00 . A A . 3 GLU CD 1 1 16 5731 1 1 3 GLU CG C -15.969 -3.583 -1.415 1.00 . A A . 3 GLU CG 1 1 16 5732 1 1 3 GLU H H -16.605 -4.203 2.557 1.00 . A A . 3 GLU H 1 1 16 5733 1 1 3 GLU HA H -16.879 -5.754 0.118 1.00 . A A . 3 GLU HA 1 1 16 5734 1 1 3 GLU HB2 H -17.479 -3.334 0.122 1.00 . A A . 3 GLU HB2 1 1 16 5735 1 1 3 GLU HB3 H -15.821 -2.911 0.656 1.00 . A A . 3 GLU HB3 1 1 16 5736 1 1 3 GLU HG2 H -14.892 -3.844 -1.495 1.00 . A A . 3 GLU HG2 1 1 16 5737 1 1 3 GLU HG3 H -16.556 -4.322 -2.002 1.00 . A A . 3 GLU HG3 1 1 16 5738 1 1 3 GLU N N -16.751 -5.055 2.062 1.00 . A A . 3 GLU N 1 1 16 5739 1 1 3 GLU O O -14.502 -6.470 0.068 1.00 . A A . 3 GLU O 1 1 16 5740 1 1 3 GLU OE1 O -16.676 -1.281 -1.298 1.00 . A A . 3 GLU OE1 1 1 16 5741 1 1 3 GLU OE2 O -15.840 -2.023 -3.218 1.00 . A A . 3 GLU OE2 1 1 16 5742 1 1 4 ASP C C -11.877 -4.742 0.400 1.00 . A A . 4 ASP C 1 1 16 5743 1 1 4 ASP CA C -12.609 -4.996 1.696 1.00 . A A . 4 ASP CA 1 1 16 5744 1 1 4 ASP CB C -12.287 -6.390 2.320 1.00 . A A . 4 ASP CB 1 1 16 5745 1 1 4 ASP CG C -10.873 -6.496 2.909 1.00 . A A . 4 ASP CG 1 1 16 5746 1 1 4 ASP H H -14.393 -3.971 1.993 1.00 . A A . 4 ASP H 1 1 16 5747 1 1 4 ASP HA H -12.281 -4.241 2.398 1.00 . A A . 4 ASP HA 1 1 16 5748 1 1 4 ASP HB2 H -13.008 -6.574 3.145 1.00 . A A . 4 ASP HB2 1 1 16 5749 1 1 4 ASP HB3 H -12.430 -7.189 1.564 1.00 . A A . 4 ASP HB3 1 1 16 5750 1 1 4 ASP N N -14.024 -4.755 1.499 1.00 . A A . 4 ASP N 1 1 16 5751 1 1 4 ASP O O -11.285 -5.641 -0.196 1.00 . A A . 4 ASP O 1 1 16 5752 1 1 4 ASP OD1 O -10.128 -5.481 2.908 1.00 . A A . 4 ASP OD1 1 1 16 5753 1 1 4 ASP OD2 O -10.530 -7.613 3.381 1.00 . A A . 4 ASP OD2 1 1 16 5754 1 1 5 LEU C C -9.943 -2.491 -0.952 1.00 . A A . 5 LEU C 1 1 16 5755 1 1 5 LEU CA C -11.321 -3.016 -1.279 1.00 . A A . 5 LEU CA 1 1 16 5756 1 1 5 LEU CB C -12.134 -1.907 -2.013 1.00 . A A . 5 LEU CB 1 1 16 5757 1 1 5 LEU CD1 C -12.932 0.479 -2.299 1.00 . A A . 5 LEU CD1 1 1 16 5758 1 1 5 LEU CD2 C -13.172 -0.572 -0.016 1.00 . A A . 5 LEU CD2 1 1 16 5759 1 1 5 LEU CG C -12.328 -0.536 -1.307 1.00 . A A . 5 LEU CG 1 1 16 5760 1 1 5 LEU H H -12.420 -2.767 0.454 1.00 . A A . 5 LEU H 1 1 16 5761 1 1 5 LEU HA H -11.248 -3.871 -1.937 1.00 . A A . 5 LEU HA 1 1 16 5762 1 1 5 LEU HB2 H -11.615 -1.696 -2.976 1.00 . A A . 5 LEU HB2 1 1 16 5763 1 1 5 LEU HB3 H -13.139 -2.315 -2.258 1.00 . A A . 5 LEU HB3 1 1 16 5764 1 1 5 LEU HD11 H -13.944 0.151 -2.618 1.00 . A A . 5 LEU HD11 1 1 16 5765 1 1 5 LEU HD12 H -12.287 0.568 -3.199 1.00 . A A . 5 LEU HD12 1 1 16 5766 1 1 5 LEU HD13 H -13.015 1.479 -1.824 1.00 . A A . 5 LEU HD13 1 1 16 5767 1 1 5 LEU HD21 H -12.653 -1.140 0.783 1.00 . A A . 5 LEU HD21 1 1 16 5768 1 1 5 LEU HD22 H -14.157 -1.042 -0.210 1.00 . A A . 5 LEU HD22 1 1 16 5769 1 1 5 LEU HD23 H -13.340 0.460 0.356 1.00 . A A . 5 LEU HD23 1 1 16 5770 1 1 5 LEU HG H -11.320 -0.151 -1.033 1.00 . A A . 5 LEU HG 1 1 16 5771 1 1 5 LEU N N -11.931 -3.470 -0.056 1.00 . A A . 5 LEU N 1 1 16 5772 1 1 5 LEU O O -9.738 -2.031 0.172 1.00 . A A . 5 LEU O 1 1 16 5773 1 1 6 PRO C C -7.792 -0.409 -2.034 1.00 . A A . 6 PRO C 1 1 16 5774 1 1 6 PRO CA C -7.683 -1.878 -1.676 1.00 . A A . 6 PRO CA 1 1 16 5775 1 1 6 PRO CB C -6.760 -2.633 -2.645 1.00 . A A . 6 PRO CB 1 1 16 5776 1 1 6 PRO CD C -9.011 -3.324 -3.092 1.00 . A A . 6 PRO CD 1 1 16 5777 1 1 6 PRO CG C -7.677 -3.065 -3.795 1.00 . A A . 6 PRO CG 1 1 16 5778 1 1 6 PRO HA H -7.341 -1.969 -0.654 1.00 . A A . 6 PRO HA 1 1 16 5779 1 1 6 PRO HB2 H -5.886 -2.045 -2.985 1.00 . A A . 6 PRO HB2 1 1 16 5780 1 1 6 PRO HB3 H -6.388 -3.549 -2.133 1.00 . A A . 6 PRO HB3 1 1 16 5781 1 1 6 PRO HD2 H -9.864 -3.014 -3.731 1.00 . A A . 6 PRO HD2 1 1 16 5782 1 1 6 PRO HD3 H -9.101 -4.397 -2.818 1.00 . A A . 6 PRO HD3 1 1 16 5783 1 1 6 PRO HG2 H -7.793 -2.226 -4.515 1.00 . A A . 6 PRO HG2 1 1 16 5784 1 1 6 PRO HG3 H -7.296 -3.959 -4.327 1.00 . A A . 6 PRO HG3 1 1 16 5785 1 1 6 PRO N N -8.968 -2.529 -1.861 1.00 . A A . 6 PRO N 1 1 16 5786 1 1 6 PRO O O -7.254 0.007 -3.058 1.00 . A A . 6 PRO O 1 1 16 5787 1 1 7 ASN C C -7.270 2.349 -0.620 1.00 . A A . 7 ASN C 1 1 16 5788 1 1 7 ASN CA C -8.501 1.839 -1.303 1.00 . A A . 7 ASN CA 1 1 16 5789 1 1 7 ASN CB C -9.787 2.453 -0.678 1.00 . A A . 7 ASN CB 1 1 16 5790 1 1 7 ASN CG C -9.868 3.969 -0.923 1.00 . A A . 7 ASN CG 1 1 16 5791 1 1 7 ASN H H -8.963 0.019 -0.408 1.00 . A A . 7 ASN H 1 1 16 5792 1 1 7 ASN HA H -8.437 2.102 -2.336 1.00 . A A . 7 ASN HA 1 1 16 5793 1 1 7 ASN HB2 H -10.668 1.992 -1.173 1.00 . A A . 7 ASN HB2 1 1 16 5794 1 1 7 ASN HB3 H -9.853 2.221 0.404 1.00 . A A . 7 ASN HB3 1 1 16 5795 1 1 7 ASN HD21 H -9.662 4.354 1.088 1.00 . A A . 7 ASN HD21 1 1 16 5796 1 1 7 ASN HD22 H -9.820 5.760 0.088 1.00 . A A . 7 ASN HD22 1 1 16 5797 1 1 7 ASN N N -8.466 0.400 -1.184 1.00 . A A . 7 ASN N 1 1 16 5798 1 1 7 ASN ND2 N -9.775 4.766 0.185 1.00 . A A . 7 ASN ND2 1 1 16 5799 1 1 7 ASN O O -6.389 2.947 -1.234 1.00 . A A . 7 ASN O 1 1 16 5800 1 1 7 ASN OD1 O -10.005 4.411 -2.070 1.00 . A A . 7 ASN OD1 1 1 16 5801 1 1 8 PHE C C -5.034 1.286 1.393 1.00 . A A . 8 PHE C 1 1 16 5802 1 1 8 PHE CA C -6.088 2.360 1.555 1.00 . A A . 8 PHE CA 1 1 16 5803 1 1 8 PHE CB C -6.543 2.447 3.039 1.00 . A A . 8 PHE CB 1 1 16 5804 1 1 8 PHE CD1 C -5.040 4.346 3.781 1.00 . A A . 8 PHE CD1 1 1 16 5805 1 1 8 PHE CD2 C -4.837 2.207 4.899 1.00 . A A . 8 PHE CD2 1 1 16 5806 1 1 8 PHE CE1 C -4.013 4.862 4.579 1.00 . A A . 8 PHE CE1 1 1 16 5807 1 1 8 PHE CE2 C -3.808 2.721 5.698 1.00 . A A . 8 PHE CE2 1 1 16 5808 1 1 8 PHE CG C -5.461 3.012 3.929 1.00 . A A . 8 PHE CG 1 1 16 5809 1 1 8 PHE CZ C -3.395 4.049 5.538 1.00 . A A . 8 PHE CZ 1 1 16 5810 1 1 8 PHE H H -7.964 1.558 1.077 1.00 . A A . 8 PHE H 1 1 16 5811 1 1 8 PHE HA H -5.673 3.308 1.241 1.00 . A A . 8 PHE HA 1 1 16 5812 1 1 8 PHE HB2 H -7.416 3.130 3.113 1.00 . A A . 8 PHE HB2 1 1 16 5813 1 1 8 PHE HB3 H -6.850 1.447 3.415 1.00 . A A . 8 PHE HB3 1 1 16 5814 1 1 8 PHE HD1 H -5.506 4.977 3.038 1.00 . A A . 8 PHE HD1 1 1 16 5815 1 1 8 PHE HD2 H -5.143 1.178 5.021 1.00 . A A . 8 PHE HD2 1 1 16 5816 1 1 8 PHE HE1 H -3.694 5.885 4.453 1.00 . A A . 8 PHE HE1 1 1 16 5817 1 1 8 PHE HE2 H -3.331 2.092 6.435 1.00 . A A . 8 PHE HE2 1 1 16 5818 1 1 8 PHE HZ H -2.601 4.446 6.152 1.00 . A A . 8 PHE HZ 1 1 16 5819 1 1 8 PHE N N -7.198 2.055 0.687 1.00 . A A . 8 PHE N 1 1 16 5820 1 1 8 PHE O O -3.880 1.481 1.767 1.00 . A A . 8 PHE O 1 1 16 5821 1 1 9 GLY C C -3.707 -0.732 -0.715 1.00 . A A . 9 GLY C 1 1 16 5822 1 1 9 GLY CA C -4.523 -0.971 0.525 1.00 . A A . 9 GLY CA 1 1 16 5823 1 1 9 GLY H H -6.354 -0.005 0.493 1.00 . A A . 9 GLY H 1 1 16 5824 1 1 9 GLY HA2 H -3.853 -1.091 1.365 1.00 . A A . 9 GLY HA2 1 1 16 5825 1 1 9 GLY HA3 H -5.144 -1.838 0.355 1.00 . A A . 9 GLY HA3 1 1 16 5826 1 1 9 GLY N N -5.414 0.129 0.795 1.00 . A A . 9 GLY N 1 1 16 5827 1 1 9 GLY O O -2.741 -1.453 -0.956 1.00 . A A . 9 GLY O 1 1 16 5828 1 1 10 HIS C C -2.312 1.759 -2.243 1.00 . A A . 10 HIS C 1 1 16 5829 1 1 10 HIS CA C -3.319 0.729 -2.680 1.00 . A A . 10 HIS CA 1 1 16 5830 1 1 10 HIS CB C -4.235 1.359 -3.759 1.00 . A A . 10 HIS CB 1 1 16 5831 1 1 10 HIS CD2 C -3.456 3.118 -5.501 1.00 . A A . 10 HIS CD2 1 1 16 5832 1 1 10 HIS CE1 C -2.237 1.899 -6.767 1.00 . A A . 10 HIS CE1 1 1 16 5833 1 1 10 HIS CG C -3.511 1.862 -4.980 1.00 . A A . 10 HIS CG 1 1 16 5834 1 1 10 HIS H H -4.881 0.841 -1.322 1.00 . A A . 10 HIS H 1 1 16 5835 1 1 10 HIS HA H -2.789 -0.114 -3.104 1.00 . A A . 10 HIS HA 1 1 16 5836 1 1 10 HIS HB2 H -4.965 0.591 -4.092 1.00 . A A . 10 HIS HB2 1 1 16 5837 1 1 10 HIS HB3 H -4.808 2.201 -3.315 1.00 . A A . 10 HIS HB3 1 1 16 5838 1 1 10 HIS HD1 H -2.548 0.101 -5.687 1.00 . A A . 10 HIS HD1 1 1 16 5839 1 1 10 HIS HD2 H -3.931 4.028 -5.157 1.00 . A A . 10 HIS HD2 1 1 16 5840 1 1 10 HIS HE1 H -1.581 1.545 -7.559 1.00 . A A . 10 HIS HE1 1 1 16 5841 1 1 10 HIS N N -4.071 0.295 -1.524 1.00 . A A . 10 HIS N 1 1 16 5842 1 1 10 HIS ND1 N -2.723 1.081 -5.799 1.00 . A A . 10 HIS ND1 1 1 16 5843 1 1 10 HIS NE2 N -2.653 3.143 -6.628 1.00 . A A . 10 HIS NE2 1 1 16 5844 1 1 10 HIS O O -1.223 1.846 -2.807 1.00 . A A . 10 HIS O 1 1 16 5845 1 1 11 ILE C C -0.734 2.904 0.205 1.00 . A A . 11 ILE C 1 1 16 5846 1 1 11 ILE CA C -1.820 3.577 -0.610 1.00 . A A . 11 ILE CA 1 1 16 5847 1 1 11 ILE CB C -2.658 4.586 0.194 1.00 . A A . 11 ILE CB 1 1 16 5848 1 1 11 ILE CD1 C -4.027 5.423 -1.871 1.00 . A A . 11 ILE CD1 1 1 16 5849 1 1 11 ILE CG1 C -3.099 5.773 -0.704 1.00 . A A . 11 ILE CG1 1 1 16 5850 1 1 11 ILE CG2 C -1.933 5.136 1.448 1.00 . A A . 11 ILE CG2 1 1 16 5851 1 1 11 ILE H H -3.552 2.450 -0.766 1.00 . A A . 11 ILE H 1 1 16 5852 1 1 11 ILE HA H -1.327 4.106 -1.412 1.00 . A A . 11 ILE HA 1 1 16 5853 1 1 11 ILE HB H -3.575 4.068 0.559 1.00 . A A . 11 ILE HB 1 1 16 5854 1 1 11 ILE HD11 H -3.533 4.734 -2.587 1.00 . A A . 11 ILE HD11 1 1 16 5855 1 1 11 ILE HD12 H -4.312 6.346 -2.420 1.00 . A A . 11 ILE HD12 1 1 16 5856 1 1 11 ILE HD13 H -4.953 4.945 -1.492 1.00 . A A . 11 ILE HD13 1 1 16 5857 1 1 11 ILE HG12 H -3.627 6.512 -0.058 1.00 . A A . 11 ILE HG12 1 1 16 5858 1 1 11 ILE HG13 H -2.188 6.271 -1.105 1.00 . A A . 11 ILE HG13 1 1 16 5859 1 1 11 ILE HG21 H -1.729 4.329 2.180 1.00 . A A . 11 ILE HG21 1 1 16 5860 1 1 11 ILE HG22 H -2.576 5.890 1.950 1.00 . A A . 11 ILE HG22 1 1 16 5861 1 1 11 ILE HG23 H -0.979 5.626 1.164 1.00 . A A . 11 ILE HG23 1 1 16 5862 1 1 11 ILE N N -2.659 2.553 -1.199 1.00 . A A . 11 ILE N 1 1 16 5863 1 1 11 ILE O O 0.358 3.446 0.356 1.00 . A A . 11 ILE O 1 1 16 5864 1 1 12 GLN C C 1.098 0.422 0.628 1.00 . A A . 12 GLN C 1 1 16 5865 1 1 12 GLN CA C -0.080 0.864 1.468 1.00 . A A . 12 GLN CA 1 1 16 5866 1 1 12 GLN CB C -0.808 -0.382 2.026 1.00 . A A . 12 GLN CB 1 1 16 5867 1 1 12 GLN CD C -0.835 -2.383 3.547 1.00 . A A . 12 GLN CD 1 1 16 5868 1 1 12 GLN CG C 0.007 -1.205 3.040 1.00 . A A . 12 GLN CG 1 1 16 5869 1 1 12 GLN H H -1.889 1.251 0.546 1.00 . A A . 12 GLN H 1 1 16 5870 1 1 12 GLN HA H 0.281 1.469 2.289 1.00 . A A . 12 GLN HA 1 1 16 5871 1 1 12 GLN HB2 H -1.735 -0.025 2.529 1.00 . A A . 12 GLN HB2 1 1 16 5872 1 1 12 GLN HB3 H -1.119 -1.035 1.181 1.00 . A A . 12 GLN HB3 1 1 16 5873 1 1 12 GLN HE21 H -2.094 -1.107 4.558 1.00 . A A . 12 GLN HE21 1 1 16 5874 1 1 12 GLN HE22 H -2.486 -2.789 4.705 1.00 . A A . 12 GLN HE22 1 1 16 5875 1 1 12 GLN HG2 H 0.923 -1.607 2.560 1.00 . A A . 12 GLN HG2 1 1 16 5876 1 1 12 GLN HG3 H 0.307 -0.565 3.896 1.00 . A A . 12 GLN HG3 1 1 16 5877 1 1 12 GLN N N -1.000 1.673 0.700 1.00 . A A . 12 GLN N 1 1 16 5878 1 1 12 GLN NE2 N -1.901 -2.064 4.343 1.00 . A A . 12 GLN NE2 1 1 16 5879 1 1 12 GLN O O 2.206 0.266 1.138 1.00 . A A . 12 GLN O 1 1 16 5880 1 1 12 GLN OE1 O -0.540 -3.544 3.240 1.00 . A A . 12 GLN OE1 1 1 16 5881 1 1 13 VAL C C 2.869 0.931 -1.906 1.00 . A A . 13 VAL C 1 1 16 5882 1 1 13 VAL CA C 1.881 -0.178 -1.656 1.00 . A A . 13 VAL CA 1 1 16 5883 1 1 13 VAL CB C 1.273 -0.632 -2.983 1.00 . A A . 13 VAL CB 1 1 16 5884 1 1 13 VAL CG1 C 2.358 -1.213 -3.917 1.00 . A A . 13 VAL CG1 1 1 16 5885 1 1 13 VAL CG2 C 0.186 -1.687 -2.701 1.00 . A A . 13 VAL CG2 1 1 16 5886 1 1 13 VAL H H -0.027 0.399 -1.088 1.00 . A A . 13 VAL H 1 1 16 5887 1 1 13 VAL HA H 2.417 -0.992 -1.207 1.00 . A A . 13 VAL HA 1 1 16 5888 1 1 13 VAL HB H 0.783 0.228 -3.494 1.00 . A A . 13 VAL HB 1 1 16 5889 1 1 13 VAL HG11 H 1.887 -1.626 -4.833 1.00 . A A . 13 VAL HG11 1 1 16 5890 1 1 13 VAL HG12 H 2.911 -2.029 -3.408 1.00 . A A . 13 VAL HG12 1 1 16 5891 1 1 13 VAL HG13 H 3.080 -0.432 -4.229 1.00 . A A . 13 VAL HG13 1 1 16 5892 1 1 13 VAL HG21 H -0.657 -1.238 -2.142 1.00 . A A . 13 VAL HG21 1 1 16 5893 1 1 13 VAL HG22 H 0.603 -2.532 -2.113 1.00 . A A . 13 VAL HG22 1 1 16 5894 1 1 13 VAL HG23 H -0.214 -2.086 -3.658 1.00 . A A . 13 VAL HG23 1 1 16 5895 1 1 13 VAL N N 0.878 0.246 -0.700 1.00 . A A . 13 VAL N 1 1 16 5896 1 1 13 VAL O O 4.047 0.682 -2.146 1.00 . A A . 13 VAL O 1 1 16 5897 1 1 14 LYS C C 4.133 3.674 -0.972 1.00 . A A . 14 LYS C 1 1 16 5898 1 1 14 LYS CA C 3.163 3.387 -2.090 1.00 . A A . 14 LYS CA 1 1 16 5899 1 1 14 LYS CB C 2.264 4.632 -2.265 1.00 . A A . 14 LYS CB 1 1 16 5900 1 1 14 LYS CD C 0.272 5.672 -3.497 1.00 . A A . 14 LYS CD 1 1 16 5901 1 1 14 LYS CE C -0.871 5.423 -4.488 1.00 . A A . 14 LYS CE 1 1 16 5902 1 1 14 LYS CG C 1.208 4.461 -3.367 1.00 . A A . 14 LYS CG 1 1 16 5903 1 1 14 LYS H H 1.443 2.312 -1.569 1.00 . A A . 14 LYS H 1 1 16 5904 1 1 14 LYS HA H 3.725 3.226 -3.000 1.00 . A A . 14 LYS HA 1 1 16 5905 1 1 14 LYS HB2 H 1.736 4.848 -1.311 1.00 . A A . 14 LYS HB2 1 1 16 5906 1 1 14 LYS HB3 H 2.895 5.515 -2.515 1.00 . A A . 14 LYS HB3 1 1 16 5907 1 1 14 LYS HD2 H -0.159 5.890 -2.494 1.00 . A A . 14 LYS HD2 1 1 16 5908 1 1 14 LYS HD3 H 0.866 6.556 -3.817 1.00 . A A . 14 LYS HD3 1 1 16 5909 1 1 14 LYS HE2 H -0.470 5.236 -5.507 1.00 . A A . 14 LYS HE2 1 1 16 5910 1 1 14 LYS HE3 H -1.474 4.548 -4.166 1.00 . A A . 14 LYS HE3 1 1 16 5911 1 1 14 LYS HG2 H 1.715 4.280 -4.340 1.00 . A A . 14 LYS HG2 1 1 16 5912 1 1 14 LYS HG3 H 0.586 3.571 -3.136 1.00 . A A . 14 LYS HG3 1 1 16 5913 1 1 14 LYS HZ1 H -1.244 7.425 -4.873 1.00 . A A . 14 LYS HZ1 1 1 16 5914 1 1 14 LYS HZ2 H -2.191 6.768 -3.626 1.00 . A A . 14 LYS HZ2 1 1 16 5915 1 1 14 LYS HZ3 H -2.539 6.392 -5.244 1.00 . A A . 14 LYS HZ3 1 1 16 5916 1 1 14 LYS N N 2.396 2.189 -1.823 1.00 . A A . 14 LYS N 1 1 16 5917 1 1 14 LYS NZ N -1.778 6.589 -4.564 1.00 . A A . 14 LYS NZ 1 1 16 5918 1 1 14 LYS O O 5.233 4.169 -1.213 1.00 . A A . 14 LYS O 1 1 16 5919 1 1 15 VAL C C 5.629 2.483 1.495 1.00 . A A . 15 VAL C 1 1 16 5920 1 1 15 VAL CA C 4.536 3.526 1.480 1.00 . A A . 15 VAL CA 1 1 16 5921 1 1 15 VAL CB C 3.685 3.429 2.745 1.00 . A A . 15 VAL CB 1 1 16 5922 1 1 15 VAL CG1 C 4.551 3.510 4.022 1.00 . A A . 15 VAL CG1 1 1 16 5923 1 1 15 VAL CG2 C 2.652 4.575 2.726 1.00 . A A . 15 VAL CG2 1 1 16 5924 1 1 15 VAL H H 2.839 2.945 0.442 1.00 . A A . 15 VAL H 1 1 16 5925 1 1 15 VAL HA H 4.997 4.503 1.435 1.00 . A A . 15 VAL HA 1 1 16 5926 1 1 15 VAL HB H 3.135 2.460 2.752 1.00 . A A . 15 VAL HB 1 1 16 5927 1 1 15 VAL HG11 H 3.898 3.541 4.920 1.00 . A A . 15 VAL HG11 1 1 16 5928 1 1 15 VAL HG12 H 5.175 4.428 4.009 1.00 . A A . 15 VAL HG12 1 1 16 5929 1 1 15 VAL HG13 H 5.215 2.625 4.116 1.00 . A A . 15 VAL HG13 1 1 16 5930 1 1 15 VAL HG21 H 3.169 5.557 2.718 1.00 . A A . 15 VAL HG21 1 1 16 5931 1 1 15 VAL HG22 H 2.011 4.523 3.633 1.00 . A A . 15 VAL HG22 1 1 16 5932 1 1 15 VAL HG23 H 1.995 4.516 1.837 1.00 . A A . 15 VAL HG23 1 1 16 5933 1 1 15 VAL N N 3.738 3.346 0.284 1.00 . A A . 15 VAL N 1 1 16 5934 1 1 15 VAL O O 6.761 2.764 1.890 1.00 . A A . 15 VAL O 1 1 16 5935 1 1 16 PHE C C 7.279 0.430 -0.130 1.00 . A A . 16 PHE C 1 1 16 5936 1 1 16 PHE CA C 6.237 0.148 0.929 1.00 . A A . 16 PHE CA 1 1 16 5937 1 1 16 PHE CB C 5.498 -1.179 0.592 1.00 . A A . 16 PHE CB 1 1 16 5938 1 1 16 PHE CD1 C 6.803 -2.876 1.940 1.00 . A A . 16 PHE CD1 1 1 16 5939 1 1 16 PHE CD2 C 6.926 -2.980 -0.478 1.00 . A A . 16 PHE CD2 1 1 16 5940 1 1 16 PHE CE1 C 7.682 -3.964 2.031 1.00 . A A . 16 PHE CE1 1 1 16 5941 1 1 16 PHE CE2 C 7.807 -4.065 -0.387 1.00 . A A . 16 PHE CE2 1 1 16 5942 1 1 16 PHE CG C 6.417 -2.375 0.686 1.00 . A A . 16 PHE CG 1 1 16 5943 1 1 16 PHE CZ C 8.185 -4.557 0.867 1.00 . A A . 16 PHE CZ 1 1 16 5944 1 1 16 PHE H H 4.390 1.056 0.695 1.00 . A A . 16 PHE H 1 1 16 5945 1 1 16 PHE HA H 6.729 0.058 1.888 1.00 . A A . 16 PHE HA 1 1 16 5946 1 1 16 PHE HB2 H 4.674 -1.333 1.322 1.00 . A A . 16 PHE HB2 1 1 16 5947 1 1 16 PHE HB3 H 5.055 -1.136 -0.425 1.00 . A A . 16 PHE HB3 1 1 16 5948 1 1 16 PHE HD1 H 6.427 -2.417 2.842 1.00 . A A . 16 PHE HD1 1 1 16 5949 1 1 16 PHE HD2 H 6.647 -2.597 -1.448 1.00 . A A . 16 PHE HD2 1 1 16 5950 1 1 16 PHE HE1 H 7.976 -4.341 2.999 1.00 . A A . 16 PHE HE1 1 1 16 5951 1 1 16 PHE HE2 H 8.196 -4.522 -1.284 1.00 . A A . 16 PHE HE2 1 1 16 5952 1 1 16 PHE HZ H 8.866 -5.393 0.937 1.00 . A A . 16 PHE HZ 1 1 16 5953 1 1 16 PHE N N 5.312 1.254 1.020 1.00 . A A . 16 PHE N 1 1 16 5954 1 1 16 PHE O O 8.449 0.109 0.055 1.00 . A A . 16 PHE O 1 1 16 5955 1 1 17 ASN C C 8.670 2.445 -2.126 1.00 . A A . 17 ASN C 1 1 16 5956 1 1 17 ASN CA C 7.697 1.323 -2.408 1.00 . A A . 17 ASN CA 1 1 16 5957 1 1 17 ASN CB C 6.833 1.696 -3.644 1.00 . A A . 17 ASN CB 1 1 16 5958 1 1 17 ASN CG C 7.626 1.591 -4.955 1.00 . A A . 17 ASN CG 1 1 16 5959 1 1 17 ASN H H 5.913 1.332 -1.361 1.00 . A A . 17 ASN H 1 1 16 5960 1 1 17 ASN HA H 8.256 0.419 -2.612 1.00 . A A . 17 ASN HA 1 1 16 5961 1 1 17 ASN HB2 H 5.977 0.988 -3.705 1.00 . A A . 17 ASN HB2 1 1 16 5962 1 1 17 ASN HB3 H 6.419 2.721 -3.538 1.00 . A A . 17 ASN HB3 1 1 16 5963 1 1 17 ASN HD21 H 7.432 -0.455 -4.930 1.00 . A A . 17 ASN HD21 1 1 16 5964 1 1 17 ASN HD22 H 8.335 0.177 -6.271 1.00 . A A . 17 ASN HD22 1 1 16 5965 1 1 17 ASN N N 6.865 1.056 -1.258 1.00 . A A . 17 ASN N 1 1 16 5966 1 1 17 ASN ND2 N 7.826 0.322 -5.422 1.00 . A A . 17 ASN ND2 1 1 16 5967 1 1 17 ASN O O 9.701 2.551 -2.782 1.00 . A A . 17 ASN O 1 1 16 5968 1 1 17 ASN OD1 O 8.040 2.601 -5.533 1.00 . A A . 17 ASN OD1 1 1 16 5969 1 1 18 HIS C C 10.474 3.971 -0.117 1.00 . A A . 18 HIS C 1 1 16 5970 1 1 18 HIS CA C 9.192 4.436 -0.768 1.00 . A A . 18 HIS CA 1 1 16 5971 1 1 18 HIS CB C 8.442 5.397 0.188 1.00 . A A . 18 HIS CB 1 1 16 5972 1 1 18 HIS CD2 C 8.976 7.919 -0.117 1.00 . A A . 18 HIS CD2 1 1 16 5973 1 1 18 HIS CE1 C 10.550 8.166 1.311 1.00 . A A . 18 HIS CE1 1 1 16 5974 1 1 18 HIS CG C 9.154 6.698 0.460 1.00 . A A . 18 HIS CG 1 1 16 5975 1 1 18 HIS H H 7.531 3.204 -0.596 1.00 . A A . 18 HIS H 1 1 16 5976 1 1 18 HIS HA H 9.438 4.970 -1.677 1.00 . A A . 18 HIS HA 1 1 16 5977 1 1 18 HIS HB2 H 7.468 5.653 -0.282 1.00 . A A . 18 HIS HB2 1 1 16 5978 1 1 18 HIS HB3 H 8.221 4.890 1.151 1.00 . A A . 18 HIS HB3 1 1 16 5979 1 1 18 HIS HD1 H 10.549 6.151 1.969 1.00 . A A . 18 HIS HD1 1 1 16 5980 1 1 18 HIS HD2 H 8.281 8.219 -0.891 1.00 . A A . 18 HIS HD2 1 1 16 5981 1 1 18 HIS HE1 H 11.342 8.580 1.931 1.00 . A A . 18 HIS HE1 1 1 16 5982 1 1 18 HIS N N 8.369 3.307 -1.127 1.00 . A A . 18 HIS N 1 1 16 5983 1 1 18 HIS ND1 N 10.169 6.865 1.379 1.00 . A A . 18 HIS ND1 1 1 16 5984 1 1 18 HIS NE2 N 9.855 8.844 0.419 1.00 . A A . 18 HIS NE2 1 1 16 5985 1 1 18 HIS O O 11.556 4.434 -0.471 1.00 . A A . 18 HIS O 1 1 16 5986 1 1 19 GLY C C 12.137 1.337 1.005 1.00 . A A . 19 GLY C 1 1 16 5987 1 1 19 GLY CA C 11.499 2.556 1.612 1.00 . A A . 19 GLY CA 1 1 16 5988 1 1 19 GLY H H 9.485 2.648 1.106 1.00 . A A . 19 GLY H 1 1 16 5989 1 1 19 GLY HA2 H 12.243 3.337 1.677 1.00 . A A . 19 GLY HA2 1 1 16 5990 1 1 19 GLY HA3 H 11.110 2.272 2.579 1.00 . A A . 19 GLY HA3 1 1 16 5991 1 1 19 GLY N N 10.368 3.032 0.851 1.00 . A A . 19 GLY N 1 1 16 5992 1 1 19 GLY O O 13.251 0.979 1.383 1.00 . A A . 19 GLY O 1 1 16 5993 1 1 20 GLU C C 11.216 -0.680 -1.798 1.00 . A A . 20 GLU C 1 1 16 5994 1 1 20 GLU CA C 11.819 -0.640 -0.431 1.00 . A A . 20 GLU CA 1 1 16 5995 1 1 20 GLU CB C 11.273 -1.855 0.375 1.00 . A A . 20 GLU CB 1 1 16 5996 1 1 20 GLU CD C 11.301 -3.234 2.472 1.00 . A A . 20 GLU CD 1 1 16 5997 1 1 20 GLU CG C 11.880 -2.002 1.783 1.00 . A A . 20 GLU CG 1 1 16 5998 1 1 20 GLU H H 10.614 1.021 -0.349 1.00 . A A . 20 GLU H 1 1 16 5999 1 1 20 GLU HA H 12.895 -0.692 -0.522 1.00 . A A . 20 GLU HA 1 1 16 6000 1 1 20 GLU HB2 H 10.169 -1.768 0.477 1.00 . A A . 20 GLU HB2 1 1 16 6001 1 1 20 GLU HB3 H 11.495 -2.787 -0.193 1.00 . A A . 20 GLU HB3 1 1 16 6002 1 1 20 GLU HG2 H 12.984 -2.105 1.708 1.00 . A A . 20 GLU HG2 1 1 16 6003 1 1 20 GLU HG3 H 11.649 -1.098 2.386 1.00 . A A . 20 GLU HG3 1 1 16 6004 1 1 20 GLU N N 11.435 0.649 0.076 1.00 . A A . 20 GLU N 1 1 16 6005 1 1 20 GLU O O 10.220 -1.360 -2.039 1.00 . A A . 20 GLU O 1 1 16 6006 1 1 20 GLU OE1 O 11.522 -4.363 1.956 1.00 . A A . 20 GLU OE1 1 1 16 6007 1 1 20 GLU OE2 O 10.630 -3.066 3.526 1.00 . A A . 20 GLU OE2 1 1 16 6008 1 1 21 HIS C C 11.544 -1.167 -4.815 1.00 . A A . 21 HIS C 1 1 16 6009 1 1 21 HIS CA C 11.442 0.167 -4.122 1.00 . A A . 21 HIS CA 1 1 16 6010 1 1 21 HIS CB C 12.294 1.167 -4.946 1.00 . A A . 21 HIS CB 1 1 16 6011 1 1 21 HIS CD2 C 11.507 3.635 -5.011 1.00 . A A . 21 HIS CD2 1 1 16 6012 1 1 21 HIS CE1 C 12.516 4.417 -3.295 1.00 . A A . 21 HIS CE1 1 1 16 6013 1 1 21 HIS CG C 12.202 2.594 -4.476 1.00 . A A . 21 HIS CG 1 1 16 6014 1 1 21 HIS H H 12.556 0.693 -2.433 1.00 . A A . 21 HIS H 1 1 16 6015 1 1 21 HIS HA H 10.411 0.489 -4.147 1.00 . A A . 21 HIS HA 1 1 16 6016 1 1 21 HIS HB2 H 13.361 0.860 -4.928 1.00 . A A . 21 HIS HB2 1 1 16 6017 1 1 21 HIS HB3 H 11.950 1.155 -6.004 1.00 . A A . 21 HIS HB3 1 1 16 6018 1 1 21 HIS HD1 H 13.445 2.592 -2.750 1.00 . A A . 21 HIS HD1 1 1 16 6019 1 1 21 HIS HD2 H 10.867 3.661 -5.883 1.00 . A A . 21 HIS HD2 1 1 16 6020 1 1 21 HIS HE1 H 12.885 5.073 -2.508 1.00 . A A . 21 HIS HE1 1 1 16 6021 1 1 21 HIS N N 11.831 0.079 -2.730 1.00 . A A . 21 HIS N 1 1 16 6022 1 1 21 HIS ND1 N 12.849 3.103 -3.370 1.00 . A A . 21 HIS ND1 1 1 16 6023 1 1 21 HIS NE2 N 11.703 4.785 -4.267 1.00 . A A . 21 HIS NE2 1 1 16 6024 1 1 21 HIS O O 12.606 -1.786 -4.847 1.00 . A A . 21 HIS O 1 1 16 6025 1 1 22 ILE C C 10.093 -2.402 -7.543 1.00 . A A . 22 ILE C 1 1 16 6026 1 1 22 ILE CA C 10.284 -2.850 -6.125 1.00 . A A . 22 ILE CA 1 1 16 6027 1 1 22 ILE CB C 9.145 -3.755 -5.643 1.00 . A A . 22 ILE CB 1 1 16 6028 1 1 22 ILE CD1 C 10.517 -4.706 -3.632 1.00 . A A . 22 ILE CD1 1 1 16 6029 1 1 22 ILE CG1 C 9.227 -4.032 -4.116 1.00 . A A . 22 ILE CG1 1 1 16 6030 1 1 22 ILE CG2 C 9.142 -5.067 -6.463 1.00 . A A . 22 ILE CG2 1 1 16 6031 1 1 22 ILE H H 9.558 -1.096 -5.307 1.00 . A A . 22 ILE H 1 1 16 6032 1 1 22 ILE HA H 11.202 -3.395 -6.087 1.00 . A A . 22 ILE HA 1 1 16 6033 1 1 22 ILE HB H 8.163 -3.251 -5.796 1.00 . A A . 22 ILE HB 1 1 16 6034 1 1 22 ILE HD11 H 11.402 -4.069 -3.837 1.00 . A A . 22 ILE HD11 1 1 16 6035 1 1 22 ILE HD12 H 10.662 -5.687 -4.131 1.00 . A A . 22 ILE HD12 1 1 16 6036 1 1 22 ILE HD13 H 10.464 -4.877 -2.536 1.00 . A A . 22 ILE HD13 1 1 16 6037 1 1 22 ILE HG12 H 9.096 -3.074 -3.569 1.00 . A A . 22 ILE HG12 1 1 16 6038 1 1 22 ILE HG13 H 8.368 -4.687 -3.842 1.00 . A A . 22 ILE HG13 1 1 16 6039 1 1 22 ILE HG21 H 10.123 -5.580 -6.382 1.00 . A A . 22 ILE HG21 1 1 16 6040 1 1 22 ILE HG22 H 8.937 -4.866 -7.534 1.00 . A A . 22 ILE HG22 1 1 16 6041 1 1 22 ILE HG23 H 8.352 -5.749 -6.083 1.00 . A A . 22 ILE HG23 1 1 16 6042 1 1 22 ILE N N 10.400 -1.624 -5.376 1.00 . A A . 22 ILE N 1 1 16 6043 1 1 22 ILE O O 11.026 -2.385 -8.343 1.00 . A A . 22 ILE O 1 1 16 6044 1 1 23 HIS C C 7.227 -0.660 -8.809 1.00 . A A . 23 HIS C 1 1 16 6045 1 1 23 HIS CA C 8.425 -1.508 -9.121 1.00 . A A . 23 HIS CA 1 1 16 6046 1 1 23 HIS CB C 8.071 -2.635 -10.128 1.00 . A A . 23 HIS CB 1 1 16 6047 1 1 23 HIS CD2 C 7.626 -0.922 -12.044 1.00 . A A . 23 HIS CD2 1 1 16 6048 1 1 23 HIS CE1 C 6.611 -2.184 -13.442 1.00 . A A . 23 HIS CE1 1 1 16 6049 1 1 23 HIS CG C 7.554 -2.150 -11.458 1.00 . A A . 23 HIS CG 1 1 16 6050 1 1 23 HIS H H 8.165 -2.049 -7.136 1.00 . A A . 23 HIS H 1 1 16 6051 1 1 23 HIS HA H 9.203 -0.870 -9.504 1.00 . A A . 23 HIS HA 1 1 16 6052 1 1 23 HIS HB2 H 8.991 -3.230 -10.323 1.00 . A A . 23 HIS HB2 1 1 16 6053 1 1 23 HIS HB3 H 7.322 -3.323 -9.676 1.00 . A A . 23 HIS HB3 1 1 16 6054 1 1 23 HIS HD1 H 6.695 -3.930 -12.245 1.00 . A A . 23 HIS HD1 1 1 16 6055 1 1 23 HIS HD2 H 8.066 -0.003 -11.678 1.00 . A A . 23 HIS HD2 1 1 16 6056 1 1 23 HIS HE1 H 6.091 -2.566 -14.318 1.00 . A A . 23 HIS HE1 1 1 16 6057 1 1 23 HIS N N 8.848 -2.009 -7.849 1.00 . A A . 23 HIS N 1 1 16 6058 1 1 23 HIS ND1 N 6.903 -2.959 -12.366 1.00 . A A . 23 HIS ND1 1 1 16 6059 1 1 23 HIS NE2 N 7.029 -0.941 -13.291 1.00 . A A . 23 HIS NE2 1 1 16 6060 1 1 23 HIS O O 7.337 0.560 -8.694 1.00 . A A . 23 HIS O 1 1 16 6061 1 1 24 HIS C C 4.784 -0.459 -6.777 1.00 . A A . 24 HIS C 1 1 16 6062 1 1 24 HIS CA C 4.812 -0.643 -8.309 1.00 . A A . 24 HIS CA 1 1 16 6063 1 1 24 HIS CB C 3.576 -1.477 -8.723 1.00 . A A . 24 HIS CB 1 1 16 6064 1 1 24 HIS CD2 C 1.289 -1.318 -7.503 1.00 . A A . 24 HIS CD2 1 1 16 6065 1 1 24 HIS CE1 C 0.638 0.614 -8.149 1.00 . A A . 24 HIS CE1 1 1 16 6066 1 1 24 HIS CG C 2.263 -0.851 -8.332 1.00 . A A . 24 HIS CG 1 1 16 6067 1 1 24 HIS H H 5.984 -2.293 -8.745 1.00 . A A . 24 HIS H 1 1 16 6068 1 1 24 HIS HA H 4.776 0.317 -8.810 1.00 . A A . 24 HIS HA 1 1 16 6069 1 1 24 HIS HB2 H 3.587 -1.611 -9.827 1.00 . A A . 24 HIS HB2 1 1 16 6070 1 1 24 HIS HB3 H 3.638 -2.485 -8.259 1.00 . A A . 24 HIS HB3 1 1 16 6071 1 1 24 HIS HD1 H 2.331 1.008 -9.363 1.00 . A A . 24 HIS HD1 1 1 16 6072 1 1 24 HIS HD2 H 1.234 -2.258 -6.968 1.00 . A A . 24 HIS HD2 1 1 16 6073 1 1 24 HIS HE1 H 0.067 1.530 -8.296 1.00 . A A . 24 HIS HE1 1 1 16 6074 1 1 24 HIS N N 6.046 -1.302 -8.646 1.00 . A A . 24 HIS N 1 1 16 6075 1 1 24 HIS ND1 N 1.837 0.394 -8.745 1.00 . A A . 24 HIS ND1 1 1 16 6076 1 1 24 HIS NE2 N 0.265 -0.396 -7.386 1.00 . A A . 24 HIS NE2 1 1 16 6077 1 1 24 HIS O O 5.010 -1.417 -6.028 1.00 . A A . 24 HIS O 1 1 16 6078 1 1 25 NH2 HN1 H 4.324 1.537 -6.977 1.00 . A A . 25 NH2 HN1 1 1 16 6079 1 1 25 NH2 HN2 H 4.470 0.981 -5.342 1.00 . A A . 25 NH2 HN2 1 1 16 6080 1 1 25 NH2 N N 4.499 0.799 -6.325 1.00 . A A . 25 NH2 N 1 1 17 6081 1 1 1 ACE C C -18.662 0.519 4.276 1.00 . A A . 1 ACE C 1 1 17 6082 1 1 1 ACE CH3 C -19.709 0.435 3.208 1.00 . A A . 1 ACE CH3 1 1 17 6083 1 1 1 ACE H1 H -20.568 1.096 3.451 1.00 . A A . 1 ACE H1 1 1 17 6084 1 1 1 ACE H2 H -19.289 0.733 2.223 1.00 . A A . 1 ACE H2 1 1 17 6085 1 1 1 ACE H3 H -20.082 -0.609 3.123 1.00 . A A . 1 ACE H3 1 1 17 6086 1 1 1 ACE O O -18.390 -0.473 4.949 1.00 . A A . 1 ACE O 1 1 17 6087 1 1 2 PHE C C -17.380 2.962 2.541 1.00 . A A . 2 PHE C 1 1 17 6088 1 1 2 PHE CA C -18.249 2.941 3.773 1.00 . A A . 2 PHE CA 1 1 17 6089 1 1 2 PHE CB C -18.025 4.213 4.651 1.00 . A A . 2 PHE CB 1 1 17 6090 1 1 2 PHE CD1 C -16.373 3.586 6.480 1.00 . A A . 2 PHE CD1 1 1 17 6091 1 1 2 PHE CD2 C -15.663 5.122 4.748 1.00 . A A . 2 PHE CD2 1 1 17 6092 1 1 2 PHE CE1 C -15.106 3.666 7.072 1.00 . A A . 2 PHE CE1 1 1 17 6093 1 1 2 PHE CE2 C -14.395 5.202 5.338 1.00 . A A . 2 PHE CE2 1 1 17 6094 1 1 2 PHE CG C -16.662 4.302 5.303 1.00 . A A . 2 PHE CG 1 1 17 6095 1 1 2 PHE CZ C -14.116 4.473 6.499 1.00 . A A . 2 PHE CZ 1 1 17 6096 1 1 2 PHE H H -17.329 1.765 5.192 1.00 . A A . 2 PHE H 1 1 17 6097 1 1 2 PHE HA H -19.279 2.980 3.449 1.00 . A A . 2 PHE HA 1 1 17 6098 1 1 2 PHE HB2 H -18.186 5.128 4.040 1.00 . A A . 2 PHE HB2 1 1 17 6099 1 1 2 PHE HB3 H -18.780 4.218 5.468 1.00 . A A . 2 PHE HB3 1 1 17 6100 1 1 2 PHE HD1 H -17.132 2.962 6.929 1.00 . A A . 2 PHE HD1 1 1 17 6101 1 1 2 PHE HD2 H -15.869 5.684 3.851 1.00 . A A . 2 PHE HD2 1 1 17 6102 1 1 2 PHE HE1 H -14.895 3.107 7.972 1.00 . A A . 2 PHE HE1 1 1 17 6103 1 1 2 PHE HE2 H -13.634 5.828 4.896 1.00 . A A . 2 PHE HE2 1 1 17 6104 1 1 2 PHE HZ H -13.139 4.535 6.955 1.00 . A A . 2 PHE HZ 1 1 17 6105 1 1 2 PHE N N -18.028 1.702 4.484 1.00 . A A . 2 PHE N 1 1 17 6106 1 1 2 PHE O O -17.835 3.340 1.463 1.00 . A A . 2 PHE O 1 1 17 6107 1 1 3 GLU C C -14.612 1.071 1.705 1.00 . A A . 3 GLU C 1 1 17 6108 1 1 3 GLU CA C -15.145 2.473 1.618 1.00 . A A . 3 GLU CA 1 1 17 6109 1 1 3 GLU CB C -14.037 3.545 1.784 1.00 . A A . 3 GLU CB 1 1 17 6110 1 1 3 GLU CD C -12.305 2.764 0.107 1.00 . A A . 3 GLU CD 1 1 17 6111 1 1 3 GLU CG C -13.250 3.892 0.505 1.00 . A A . 3 GLU CG 1 1 17 6112 1 1 3 GLU H H -15.768 2.216 3.570 1.00 . A A . 3 GLU H 1 1 17 6113 1 1 3 GLU HA H -15.643 2.608 0.667 1.00 . A A . 3 GLU HA 1 1 17 6114 1 1 3 GLU HB2 H -14.551 4.488 2.080 1.00 . A A . 3 GLU HB2 1 1 17 6115 1 1 3 GLU HB3 H -13.350 3.285 2.616 1.00 . A A . 3 GLU HB3 1 1 17 6116 1 1 3 GLU HG2 H -13.962 4.104 -0.321 1.00 . A A . 3 GLU HG2 1 1 17 6117 1 1 3 GLU HG3 H -12.647 4.808 0.689 1.00 . A A . 3 GLU HG3 1 1 17 6118 1 1 3 GLU N N -16.104 2.533 2.686 1.00 . A A . 3 GLU N 1 1 17 6119 1 1 3 GLU O O -13.828 0.744 2.595 1.00 . A A . 3 GLU O 1 1 17 6120 1 1 3 GLU OE1 O -11.404 2.433 0.924 1.00 . A A . 3 GLU OE1 1 1 17 6121 1 1 3 GLU OE2 O -12.463 2.229 -1.022 1.00 . A A . 3 GLU OE2 1 1 17 6122 1 1 4 ASP C C -13.682 -1.709 0.236 1.00 . A A . 4 ASP C 1 1 17 6123 1 1 4 ASP CA C -14.943 -1.242 0.892 1.00 . A A . 4 ASP CA 1 1 17 6124 1 1 4 ASP CB C -16.116 -1.995 0.216 1.00 . A A . 4 ASP CB 1 1 17 6125 1 1 4 ASP CG C -17.428 -1.640 0.915 1.00 . A A . 4 ASP CG 1 1 17 6126 1 1 4 ASP H H -15.699 0.499 0.063 1.00 . A A . 4 ASP H 1 1 17 6127 1 1 4 ASP HA H -14.879 -1.506 1.931 1.00 . A A . 4 ASP HA 1 1 17 6128 1 1 4 ASP HB2 H -16.180 -1.712 -0.857 1.00 . A A . 4 ASP HB2 1 1 17 6129 1 1 4 ASP HB3 H -15.965 -3.094 0.283 1.00 . A A . 4 ASP HB3 1 1 17 6130 1 1 4 ASP N N -15.094 0.194 0.793 1.00 . A A . 4 ASP N 1 1 17 6131 1 1 4 ASP O O -13.044 -2.658 0.690 1.00 . A A . 4 ASP O 1 1 17 6132 1 1 4 ASP OD1 O -17.569 -1.990 2.117 1.00 . A A . 4 ASP OD1 1 1 17 6133 1 1 4 ASP OD2 O -18.303 -1.016 0.257 1.00 . A A . 4 ASP OD2 1 1 17 6134 1 1 5 LEU C C -10.909 -1.072 -1.085 1.00 . A A . 5 LEU C 1 1 17 6135 1 1 5 LEU CA C -12.227 -1.416 -1.742 1.00 . A A . 5 LEU CA 1 1 17 6136 1 1 5 LEU CB C -12.300 -0.676 -3.102 1.00 . A A . 5 LEU CB 1 1 17 6137 1 1 5 LEU CD1 C -13.660 0.007 -5.136 1.00 . A A . 5 LEU CD1 1 1 17 6138 1 1 5 LEU CD2 C -13.876 -2.362 -4.248 1.00 . A A . 5 LEU CD2 1 1 17 6139 1 1 5 LEU CG C -13.623 -0.886 -3.881 1.00 . A A . 5 LEU CG 1 1 17 6140 1 1 5 LEU H H -13.856 -0.246 -1.133 1.00 . A A . 5 LEU H 1 1 17 6141 1 1 5 LEU HA H -12.295 -2.483 -1.890 1.00 . A A . 5 LEU HA 1 1 17 6142 1 1 5 LEU HB2 H -12.180 0.416 -2.922 1.00 . A A . 5 LEU HB2 1 1 17 6143 1 1 5 LEU HB3 H -11.460 -1.004 -3.753 1.00 . A A . 5 LEU HB3 1 1 17 6144 1 1 5 LEU HD11 H -14.633 -0.107 -5.661 1.00 . A A . 5 LEU HD11 1 1 17 6145 1 1 5 LEU HD12 H -12.845 -0.277 -5.834 1.00 . A A . 5 LEU HD12 1 1 17 6146 1 1 5 LEU HD13 H -13.533 1.074 -4.855 1.00 . A A . 5 LEU HD13 1 1 17 6147 1 1 5 LEU HD21 H -13.040 -2.754 -4.864 1.00 . A A . 5 LEU HD21 1 1 17 6148 1 1 5 LEU HD22 H -14.817 -2.451 -4.832 1.00 . A A . 5 LEU HD22 1 1 17 6149 1 1 5 LEU HD23 H -13.976 -2.987 -3.337 1.00 . A A . 5 LEU HD23 1 1 17 6150 1 1 5 LEU HG H -14.462 -0.555 -3.226 1.00 . A A . 5 LEU HG 1 1 17 6151 1 1 5 LEU N N -13.314 -1.035 -0.868 1.00 . A A . 5 LEU N 1 1 17 6152 1 1 5 LEU O O -10.903 -0.215 -0.205 1.00 . A A . 5 LEU O 1 1 17 6153 1 1 6 PRO C C -7.955 -0.083 -1.536 1.00 . A A . 6 PRO C 1 1 17 6154 1 1 6 PRO CA C -8.484 -1.339 -0.878 1.00 . A A . 6 PRO CA 1 1 17 6155 1 1 6 PRO CB C -7.602 -2.562 -1.182 1.00 . A A . 6 PRO CB 1 1 17 6156 1 1 6 PRO CD C -9.722 -2.914 -2.236 1.00 . A A . 6 PRO CD 1 1 17 6157 1 1 6 PRO CG C -8.232 -3.200 -2.424 1.00 . A A . 6 PRO CG 1 1 17 6158 1 1 6 PRO HA H -8.554 -1.170 0.188 1.00 . A A . 6 PRO HA 1 1 17 6159 1 1 6 PRO HB2 H -6.530 -2.318 -1.321 1.00 . A A . 6 PRO HB2 1 1 17 6160 1 1 6 PRO HB3 H -7.692 -3.279 -0.335 1.00 . A A . 6 PRO HB3 1 1 17 6161 1 1 6 PRO HD2 H -10.227 -2.777 -3.216 1.00 . A A . 6 PRO HD2 1 1 17 6162 1 1 6 PRO HD3 H -10.205 -3.736 -1.664 1.00 . A A . 6 PRO HD3 1 1 17 6163 1 1 6 PRO HG2 H -7.867 -2.679 -3.336 1.00 . A A . 6 PRO HG2 1 1 17 6164 1 1 6 PRO HG3 H -8.013 -4.283 -2.503 1.00 . A A . 6 PRO HG3 1 1 17 6165 1 1 6 PRO N N -9.781 -1.691 -1.432 1.00 . A A . 6 PRO N 1 1 17 6166 1 1 6 PRO O O -7.171 -0.174 -2.479 1.00 . A A . 6 PRO O 1 1 17 6167 1 1 7 ASN C C -6.725 2.659 -0.373 1.00 . A A . 7 ASN C 1 1 17 6168 1 1 7 ASN CA C -7.811 2.386 -1.374 1.00 . A A . 7 ASN CA 1 1 17 6169 1 1 7 ASN CB C -8.886 3.506 -1.329 1.00 . A A . 7 ASN CB 1 1 17 6170 1 1 7 ASN CG C -8.343 4.850 -1.841 1.00 . A A . 7 ASN CG 1 1 17 6171 1 1 7 ASN H H -9.040 1.126 -0.290 1.00 . A A . 7 ASN H 1 1 17 6172 1 1 7 ASN HA H -7.370 2.313 -2.351 1.00 . A A . 7 ASN HA 1 1 17 6173 1 1 7 ASN HB2 H -9.747 3.205 -1.964 1.00 . A A . 7 ASN HB2 1 1 17 6174 1 1 7 ASN HB3 H -9.259 3.636 -0.291 1.00 . A A . 7 ASN HB3 1 1 17 6175 1 1 7 ASN HD21 H -8.118 4.085 -3.738 1.00 . A A . 7 ASN HD21 1 1 17 6176 1 1 7 ASN HD22 H -7.645 5.743 -3.557 1.00 . A A . 7 ASN HD22 1 1 17 6177 1 1 7 ASN N N -8.360 1.100 -1.018 1.00 . A A . 7 ASN N 1 1 17 6178 1 1 7 ASN ND2 N -8.006 4.897 -3.164 1.00 . A A . 7 ASN ND2 1 1 17 6179 1 1 7 ASN O O -5.700 3.260 -0.681 1.00 . A A . 7 ASN O 1 1 17 6180 1 1 7 ASN OD1 O -8.228 5.813 -1.074 1.00 . A A . 7 ASN OD1 1 1 17 6181 1 1 8 PHE C C -4.919 1.150 1.693 1.00 . A A . 8 PHE C 1 1 17 6182 1 1 8 PHE CA C -6.021 2.146 1.962 1.00 . A A . 8 PHE CA 1 1 17 6183 1 1 8 PHE CB C -6.714 1.822 3.320 1.00 . A A . 8 PHE CB 1 1 17 6184 1 1 8 PHE CD1 C -7.296 -0.651 3.455 1.00 . A A . 8 PHE CD1 1 1 17 6185 1 1 8 PHE CD2 C -9.059 0.927 2.947 1.00 . A A . 8 PHE CD2 1 1 17 6186 1 1 8 PHE CE1 C -8.212 -1.707 3.355 1.00 . A A . 8 PHE CE1 1 1 17 6187 1 1 8 PHE CE2 C -9.978 -0.125 2.856 1.00 . A A . 8 PHE CE2 1 1 17 6188 1 1 8 PHE CG C -7.705 0.677 3.238 1.00 . A A . 8 PHE CG 1 1 17 6189 1 1 8 PHE CZ C -9.553 -1.443 3.052 1.00 . A A . 8 PHE CZ 1 1 17 6190 1 1 8 PHE H H -7.807 1.682 1.012 1.00 . A A . 8 PHE H 1 1 17 6191 1 1 8 PHE HA H -5.571 3.127 2.030 1.00 . A A . 8 PHE HA 1 1 17 6192 1 1 8 PHE HB2 H -5.959 1.585 4.099 1.00 . A A . 8 PHE HB2 1 1 17 6193 1 1 8 PHE HB3 H -7.278 2.720 3.651 1.00 . A A . 8 PHE HB3 1 1 17 6194 1 1 8 PHE HD1 H -6.263 -0.863 3.689 1.00 . A A . 8 PHE HD1 1 1 17 6195 1 1 8 PHE HD2 H -9.393 1.942 2.785 1.00 . A A . 8 PHE HD2 1 1 17 6196 1 1 8 PHE HE1 H -7.883 -2.723 3.512 1.00 . A A . 8 PHE HE1 1 1 17 6197 1 1 8 PHE HE2 H -11.014 0.080 2.626 1.00 . A A . 8 PHE HE2 1 1 17 6198 1 1 8 PHE HZ H -10.260 -2.256 2.973 1.00 . A A . 8 PHE HZ 1 1 17 6199 1 1 8 PHE N N -6.947 2.156 0.856 1.00 . A A . 8 PHE N 1 1 17 6200 1 1 8 PHE O O -3.769 1.376 2.064 1.00 . A A . 8 PHE O 1 1 17 6201 1 1 9 GLY C C -3.629 -0.747 -0.618 1.00 . A A . 9 GLY C 1 1 17 6202 1 1 9 GLY CA C -4.353 -1.030 0.669 1.00 . A A . 9 GLY CA 1 1 17 6203 1 1 9 GLY H H -6.211 -0.108 0.732 1.00 . A A . 9 GLY H 1 1 17 6204 1 1 9 GLY HA2 H -3.625 -1.136 1.461 1.00 . A A . 9 GLY HA2 1 1 17 6205 1 1 9 GLY HA3 H -4.954 -1.916 0.526 1.00 . A A . 9 GLY HA3 1 1 17 6206 1 1 9 GLY N N -5.265 0.034 1.010 1.00 . A A . 9 GLY N 1 1 17 6207 1 1 9 GLY O O -2.706 -1.476 -0.973 1.00 . A A . 9 GLY O 1 1 17 6208 1 1 10 HIS C C -2.275 1.738 -2.130 1.00 . A A . 10 HIS C 1 1 17 6209 1 1 10 HIS CA C -3.365 0.790 -2.542 1.00 . A A . 10 HIS CA 1 1 17 6210 1 1 10 HIS CB C -4.341 1.523 -3.497 1.00 . A A . 10 HIS CB 1 1 17 6211 1 1 10 HIS CD2 C -3.549 1.514 -5.973 1.00 . A A . 10 HIS CD2 1 1 17 6212 1 1 10 HIS CE1 C -2.681 3.465 -6.109 1.00 . A A . 10 HIS CE1 1 1 17 6213 1 1 10 HIS CG C -3.711 2.083 -4.748 1.00 . A A . 10 HIS CG 1 1 17 6214 1 1 10 HIS H H -4.796 0.886 -1.045 1.00 . A A . 10 HIS H 1 1 17 6215 1 1 10 HIS HA H -2.917 -0.049 -3.056 1.00 . A A . 10 HIS HA 1 1 17 6216 1 1 10 HIS HB2 H -5.119 0.797 -3.816 1.00 . A A . 10 HIS HB2 1 1 17 6217 1 1 10 HIS HB3 H -4.857 2.345 -2.956 1.00 . A A . 10 HIS HB3 1 1 17 6218 1 1 10 HIS HD1 H -3.102 4.019 -4.108 1.00 . A A . 10 HIS HD1 1 1 17 6219 1 1 10 HIS HD2 H -3.845 0.533 -6.321 1.00 . A A . 10 HIS HD2 1 1 17 6220 1 1 10 HIS HE1 H -2.183 4.365 -6.467 1.00 . A A . 10 HIS HE1 1 1 17 6221 1 1 10 HIS N N -4.027 0.326 -1.344 1.00 . A A . 10 HIS N 1 1 17 6222 1 1 10 HIS ND1 N -3.149 3.340 -4.843 1.00 . A A . 10 HIS ND1 1 1 17 6223 1 1 10 HIS NE2 N -2.899 2.384 -6.832 1.00 . A A . 10 HIS NE2 1 1 17 6224 1 1 10 HIS O O -1.183 1.710 -2.692 1.00 . A A . 10 HIS O 1 1 17 6225 1 1 11 ILE C C -0.577 2.939 0.214 1.00 . A A . 11 ILE C 1 1 17 6226 1 1 11 ILE CA C -1.663 3.610 -0.600 1.00 . A A . 11 ILE CA 1 1 17 6227 1 1 11 ILE CB C -2.439 4.665 0.197 1.00 . A A . 11 ILE CB 1 1 17 6228 1 1 11 ILE CD1 C -4.361 6.373 -0.087 1.00 . A A . 11 ILE CD1 1 1 17 6229 1 1 11 ILE CG1 C -3.294 5.517 -0.780 1.00 . A A . 11 ILE CG1 1 1 17 6230 1 1 11 ILE CG2 C -1.506 5.568 1.040 1.00 . A A . 11 ILE CG2 1 1 17 6231 1 1 11 ILE H H -3.435 2.530 -0.646 1.00 . A A . 11 ILE H 1 1 17 6232 1 1 11 ILE HA H -1.188 4.094 -1.442 1.00 . A A . 11 ILE HA 1 1 17 6233 1 1 11 ILE HB H -3.129 4.137 0.895 1.00 . A A . 11 ILE HB 1 1 17 6234 1 1 11 ILE HD11 H -5.031 5.733 0.525 1.00 . A A . 11 ILE HD11 1 1 17 6235 1 1 11 ILE HD12 H -4.978 6.903 -0.844 1.00 . A A . 11 ILE HD12 1 1 17 6236 1 1 11 ILE HD13 H -3.895 7.134 0.574 1.00 . A A . 11 ILE HD13 1 1 17 6237 1 1 11 ILE HG12 H -2.614 6.179 -1.361 1.00 . A A . 11 ILE HG12 1 1 17 6238 1 1 11 ILE HG13 H -3.814 4.858 -1.508 1.00 . A A . 11 ILE HG13 1 1 17 6239 1 1 11 ILE HG21 H -0.981 4.982 1.823 1.00 . A A . 11 ILE HG21 1 1 17 6240 1 1 11 ILE HG22 H -2.087 6.358 1.555 1.00 . A A . 11 ILE HG22 1 1 17 6241 1 1 11 ILE HG23 H -0.751 6.054 0.388 1.00 . A A . 11 ILE HG23 1 1 17 6242 1 1 11 ILE N N -2.556 2.589 -1.113 1.00 . A A . 11 ILE N 1 1 17 6243 1 1 11 ILE O O 0.533 3.452 0.323 1.00 . A A . 11 ILE O 1 1 17 6244 1 1 12 GLN C C 1.231 0.461 0.606 1.00 . A A . 12 GLN C 1 1 17 6245 1 1 12 GLN CA C 0.065 0.886 1.473 1.00 . A A . 12 GLN CA 1 1 17 6246 1 1 12 GLN CB C -0.663 -0.379 1.987 1.00 . A A . 12 GLN CB 1 1 17 6247 1 1 12 GLN CD C -0.689 -2.452 3.405 1.00 . A A . 12 GLN CD 1 1 17 6248 1 1 12 GLN CG C 0.178 -1.296 2.892 1.00 . A A . 12 GLN CG 1 1 17 6249 1 1 12 GLN H H -1.772 1.333 0.639 1.00 . A A . 12 GLN H 1 1 17 6250 1 1 12 GLN HA H 0.442 1.456 2.312 1.00 . A A . 12 GLN HA 1 1 17 6251 1 1 12 GLN HB2 H -1.551 -0.042 2.568 1.00 . A A . 12 GLN HB2 1 1 17 6252 1 1 12 GLN HB3 H -1.037 -0.958 1.114 1.00 . A A . 12 GLN HB3 1 1 17 6253 1 1 12 GLN HE21 H -0.846 -3.235 1.508 1.00 . A A . 12 GLN HE21 1 1 17 6254 1 1 12 GLN HE22 H -1.675 -4.130 2.738 1.00 . A A . 12 GLN HE22 1 1 17 6255 1 1 12 GLN HG2 H 1.047 -1.708 2.337 1.00 . A A . 12 GLN HG2 1 1 17 6256 1 1 12 GLN HG3 H 0.556 -0.717 3.762 1.00 . A A . 12 GLN HG3 1 1 17 6257 1 1 12 GLN N N -0.863 1.726 0.749 1.00 . A A . 12 GLN N 1 1 17 6258 1 1 12 GLN NE2 N -1.107 -3.354 2.465 1.00 . A A . 12 GLN NE2 1 1 17 6259 1 1 12 GLN O O 2.352 0.321 1.091 1.00 . A A . 12 GLN O 1 1 17 6260 1 1 12 GLN OE1 O -0.978 -2.538 4.605 1.00 . A A . 12 GLN OE1 1 1 17 6261 1 1 13 VAL C C 2.910 0.963 -2.024 1.00 . A A . 13 VAL C 1 1 17 6262 1 1 13 VAL CA C 1.961 -0.159 -1.688 1.00 . A A . 13 VAL CA 1 1 17 6263 1 1 13 VAL CB C 1.306 -0.712 -2.955 1.00 . A A . 13 VAL CB 1 1 17 6264 1 1 13 VAL CG1 C 2.355 -1.177 -3.992 1.00 . A A . 13 VAL CG1 1 1 17 6265 1 1 13 VAL CG2 C 0.388 -1.885 -2.553 1.00 . A A . 13 VAL CG2 1 1 17 6266 1 1 13 VAL H H 0.066 0.418 -1.082 1.00 . A A . 13 VAL H 1 1 17 6267 1 1 13 VAL HA H 2.545 -0.930 -1.226 1.00 . A A . 13 VAL HA 1 1 17 6268 1 1 13 VAL HB H 0.671 0.073 -3.422 1.00 . A A . 13 VAL HB 1 1 17 6269 1 1 13 VAL HG11 H 1.847 -1.670 -4.848 1.00 . A A . 13 VAL HG11 1 1 17 6270 1 1 13 VAL HG12 H 3.057 -1.903 -3.532 1.00 . A A . 13 VAL HG12 1 1 17 6271 1 1 13 VAL HG13 H 2.937 -0.321 -4.391 1.00 . A A . 13 VAL HG13 1 1 17 6272 1 1 13 VAL HG21 H 0.975 -2.677 -2.042 1.00 . A A . 13 VAL HG21 1 1 17 6273 1 1 13 VAL HG22 H -0.084 -2.325 -3.458 1.00 . A A . 13 VAL HG22 1 1 17 6274 1 1 13 VAL HG23 H -0.419 -1.546 -1.875 1.00 . A A . 13 VAL HG23 1 1 17 6275 1 1 13 VAL N N 0.983 0.274 -0.716 1.00 . A A . 13 VAL N 1 1 17 6276 1 1 13 VAL O O 4.075 0.725 -2.325 1.00 . A A . 13 VAL O 1 1 17 6277 1 1 14 LYS C C 4.173 3.700 -1.118 1.00 . A A . 14 LYS C 1 1 17 6278 1 1 14 LYS CA C 3.206 3.413 -2.243 1.00 . A A . 14 LYS CA 1 1 17 6279 1 1 14 LYS CB C 2.341 4.681 -2.469 1.00 . A A . 14 LYS CB 1 1 17 6280 1 1 14 LYS CD C 0.752 3.912 -4.411 1.00 . A A . 14 LYS CD 1 1 17 6281 1 1 14 LYS CE C 1.315 2.729 -5.215 1.00 . A A . 14 LYS CE 1 1 17 6282 1 1 14 LYS CG C 1.819 4.899 -3.908 1.00 . A A . 14 LYS CG 1 1 17 6283 1 1 14 LYS H H 1.492 2.348 -1.644 1.00 . A A . 14 LYS H 1 1 17 6284 1 1 14 LYS HA H 3.788 3.227 -3.135 1.00 . A A . 14 LYS HA 1 1 17 6285 1 1 14 LYS HB2 H 1.487 4.681 -1.760 1.00 . A A . 14 LYS HB2 1 1 17 6286 1 1 14 LYS HB3 H 2.952 5.588 -2.250 1.00 . A A . 14 LYS HB3 1 1 17 6287 1 1 14 LYS HD2 H 0.161 3.559 -3.542 1.00 . A A . 14 LYS HD2 1 1 17 6288 1 1 14 LYS HD3 H 0.062 4.472 -5.082 1.00 . A A . 14 LYS HD3 1 1 17 6289 1 1 14 LYS HE2 H 1.824 3.094 -6.131 1.00 . A A . 14 LYS HE2 1 1 17 6290 1 1 14 LYS HE3 H 2.034 2.138 -4.614 1.00 . A A . 14 LYS HE3 1 1 17 6291 1 1 14 LYS HG2 H 1.350 5.911 -3.915 1.00 . A A . 14 LYS HG2 1 1 17 6292 1 1 14 LYS HG3 H 2.671 4.927 -4.619 1.00 . A A . 14 LYS HG3 1 1 17 6293 1 1 14 LYS HZ1 H -0.255 1.440 -4.798 1.00 . A A . 14 LYS HZ1 1 1 17 6294 1 1 14 LYS HZ2 H 0.634 1.024 -6.183 1.00 . A A . 14 LYS HZ2 1 1 17 6295 1 1 14 LYS HZ3 H -0.451 2.329 -6.230 1.00 . A A . 14 LYS HZ3 1 1 17 6296 1 1 14 LYS N N 2.431 2.222 -1.944 1.00 . A A . 14 LYS N 1 1 17 6297 1 1 14 LYS NZ N 0.230 1.812 -5.638 1.00 . A A . 14 LYS NZ 1 1 17 6298 1 1 14 LYS O O 5.275 4.191 -1.361 1.00 . A A . 14 LYS O 1 1 17 6299 1 1 15 VAL C C 5.677 2.488 1.337 1.00 . A A . 15 VAL C 1 1 17 6300 1 1 15 VAL CA C 4.601 3.551 1.325 1.00 . A A . 15 VAL CA 1 1 17 6301 1 1 15 VAL CB C 3.761 3.490 2.600 1.00 . A A . 15 VAL CB 1 1 17 6302 1 1 15 VAL CG1 C 4.638 3.515 3.872 1.00 . A A . 15 VAL CG1 1 1 17 6303 1 1 15 VAL CG2 C 2.792 4.692 2.598 1.00 . A A . 15 VAL CG2 1 1 17 6304 1 1 15 VAL H H 2.886 2.981 0.306 1.00 . A A . 15 VAL H 1 1 17 6305 1 1 15 VAL HA H 5.082 4.518 1.266 1.00 . A A . 15 VAL HA 1 1 17 6306 1 1 15 VAL HB H 3.160 2.553 2.605 1.00 . A A . 15 VAL HB 1 1 17 6307 1 1 15 VAL HG11 H 5.252 2.596 3.957 1.00 . A A . 15 VAL HG11 1 1 17 6308 1 1 15 VAL HG12 H 3.993 3.579 4.774 1.00 . A A . 15 VAL HG12 1 1 17 6309 1 1 15 VAL HG13 H 5.312 4.398 3.858 1.00 . A A . 15 VAL HG13 1 1 17 6310 1 1 15 VAL HG21 H 2.146 4.660 3.501 1.00 . A A . 15 VAL HG21 1 1 17 6311 1 1 15 VAL HG22 H 2.137 4.687 1.704 1.00 . A A . 15 VAL HG22 1 1 17 6312 1 1 15 VAL HG23 H 3.363 5.644 2.608 1.00 . A A . 15 VAL HG23 1 1 17 6313 1 1 15 VAL N N 3.785 3.377 0.140 1.00 . A A . 15 VAL N 1 1 17 6314 1 1 15 VAL O O 6.810 2.749 1.740 1.00 . A A . 15 VAL O 1 1 17 6315 1 1 16 PHE C C 7.280 0.377 -0.312 1.00 . A A . 16 PHE C 1 1 17 6316 1 1 16 PHE CA C 6.246 0.143 0.768 1.00 . A A . 16 PHE CA 1 1 17 6317 1 1 16 PHE CB C 5.469 -1.172 0.476 1.00 . A A . 16 PHE CB 1 1 17 6318 1 1 16 PHE CD1 C 6.865 -2.830 1.786 1.00 . A A . 16 PHE CD1 1 1 17 6319 1 1 16 PHE CD2 C 6.736 -3.072 -0.621 1.00 . A A . 16 PHE CD2 1 1 17 6320 1 1 16 PHE CE1 C 7.731 -3.929 1.851 1.00 . A A . 16 PHE CE1 1 1 17 6321 1 1 16 PHE CE2 C 7.604 -4.169 -0.558 1.00 . A A . 16 PHE CE2 1 1 17 6322 1 1 16 PHE CG C 6.361 -2.390 0.550 1.00 . A A . 16 PHE CG 1 1 17 6323 1 1 16 PHE CZ C 8.102 -4.598 0.678 1.00 . A A . 16 PHE CZ 1 1 17 6324 1 1 16 PHE H H 4.420 1.089 0.519 1.00 . A A . 16 PHE H 1 1 17 6325 1 1 16 PHE HA H 6.751 0.063 1.721 1.00 . A A . 16 PHE HA 1 1 17 6326 1 1 16 PHE HB2 H 4.669 -1.302 1.237 1.00 . A A . 16 PHE HB2 1 1 17 6327 1 1 16 PHE HB3 H 4.990 -1.129 -0.525 1.00 . A A . 16 PHE HB3 1 1 17 6328 1 1 16 PHE HD1 H 6.591 -2.312 2.693 1.00 . A A . 16 PHE HD1 1 1 17 6329 1 1 16 PHE HD2 H 6.367 -2.737 -1.579 1.00 . A A . 16 PHE HD2 1 1 17 6330 1 1 16 PHE HE1 H 8.116 -4.257 2.804 1.00 . A A . 16 PHE HE1 1 1 17 6331 1 1 16 PHE HE2 H 7.891 -4.682 -1.465 1.00 . A A . 16 PHE HE2 1 1 17 6332 1 1 16 PHE HZ H 8.773 -5.442 0.726 1.00 . A A . 16 PHE HZ 1 1 17 6333 1 1 16 PHE N N 5.344 1.268 0.851 1.00 . A A . 16 PHE N 1 1 17 6334 1 1 16 PHE O O 8.423 -0.051 -0.173 1.00 . A A . 16 PHE O 1 1 17 6335 1 1 17 ASN C C 8.754 2.394 -2.221 1.00 . A A . 17 ASN C 1 1 17 6336 1 1 17 ASN CA C 7.731 1.334 -2.558 1.00 . A A . 17 ASN CA 1 1 17 6337 1 1 17 ASN CB C 6.878 1.807 -3.767 1.00 . A A . 17 ASN CB 1 1 17 6338 1 1 17 ASN CG C 7.668 1.764 -5.083 1.00 . A A . 17 ASN CG 1 1 17 6339 1 1 17 ASN H H 5.964 1.425 -1.482 1.00 . A A . 17 ASN H 1 1 17 6340 1 1 17 ASN HA H 8.244 0.413 -2.802 1.00 . A A . 17 ASN HA 1 1 17 6341 1 1 17 ASN HB2 H 6.000 1.132 -3.869 1.00 . A A . 17 ASN HB2 1 1 17 6342 1 1 17 ASN HB3 H 6.496 2.836 -3.597 1.00 . A A . 17 ASN HB3 1 1 17 6343 1 1 17 ASN HD21 H 7.329 -0.257 -5.252 1.00 . A A . 17 ASN HD21 1 1 17 6344 1 1 17 ASN HD22 H 8.288 0.431 -6.523 1.00 . A A . 17 ASN HD22 1 1 17 6345 1 1 17 ASN N N 6.894 1.073 -1.408 1.00 . A A . 17 ASN N 1 1 17 6346 1 1 17 ASN ND2 N 7.777 0.533 -5.670 1.00 . A A . 17 ASN ND2 1 1 17 6347 1 1 17 ASN O O 9.866 2.379 -2.746 1.00 . A A . 17 ASN O 1 1 17 6348 1 1 17 ASN OD1 O 8.160 2.793 -5.560 1.00 . A A . 17 ASN OD1 1 1 17 6349 1 1 18 HIS C C 10.264 3.892 0.094 1.00 . A A . 18 HIS C 1 1 17 6350 1 1 18 HIS CA C 9.229 4.414 -0.869 1.00 . A A . 18 HIS CA 1 1 17 6351 1 1 18 HIS CB C 8.389 5.519 -0.179 1.00 . A A . 18 HIS CB 1 1 17 6352 1 1 18 HIS CD2 C 9.290 7.931 -0.503 1.00 . A A . 18 HIS CD2 1 1 17 6353 1 1 18 HIS CE1 C 10.454 8.159 1.278 1.00 . A A . 18 HIS CE1 1 1 17 6354 1 1 18 HIS CG C 9.158 6.763 0.185 1.00 . A A . 18 HIS CG 1 1 17 6355 1 1 18 HIS H H 7.479 3.310 -0.906 1.00 . A A . 18 HIS H 1 1 17 6356 1 1 18 HIS HA H 9.729 4.832 -1.732 1.00 . A A . 18 HIS HA 1 1 17 6357 1 1 18 HIS HB2 H 7.588 5.828 -0.885 1.00 . A A . 18 HIS HB2 1 1 17 6358 1 1 18 HIS HB3 H 7.890 5.112 0.727 1.00 . A A . 18 HIS HB3 1 1 17 6359 1 1 18 HIS HD1 H 10.031 6.232 2.050 1.00 . A A . 18 HIS HD1 1 1 17 6360 1 1 18 HIS HD2 H 8.864 8.222 -1.454 1.00 . A A . 18 HIS HD2 1 1 17 6361 1 1 18 HIS HE1 H 11.101 8.552 2.061 1.00 . A A . 18 HIS HE1 1 1 17 6362 1 1 18 HIS N N 8.387 3.331 -1.316 1.00 . A A . 18 HIS N 1 1 17 6363 1 1 18 HIS ND1 N 9.911 6.917 1.331 1.00 . A A . 18 HIS ND1 1 1 17 6364 1 1 18 HIS NE2 N 10.106 8.811 0.185 1.00 . A A . 18 HIS NE2 1 1 17 6365 1 1 18 HIS O O 11.424 4.299 0.046 1.00 . A A . 18 HIS O 1 1 17 6366 1 1 19 GLY C C 11.654 1.375 1.470 1.00 . A A . 19 GLY C 1 1 17 6367 1 1 19 GLY CA C 10.696 2.395 2.017 1.00 . A A . 19 GLY CA 1 1 17 6368 1 1 19 GLY H H 8.913 2.627 0.983 1.00 . A A . 19 GLY H 1 1 17 6369 1 1 19 GLY HA2 H 11.262 3.198 2.469 1.00 . A A . 19 GLY HA2 1 1 17 6370 1 1 19 GLY HA3 H 10.037 1.897 2.712 1.00 . A A . 19 GLY HA3 1 1 17 6371 1 1 19 GLY N N 9.855 2.956 0.985 1.00 . A A . 19 GLY N 1 1 17 6372 1 1 19 GLY O O 12.703 1.129 2.062 1.00 . A A . 19 GLY O 1 1 17 6373 1 1 20 GLU C C 13.171 0.570 -1.163 1.00 . A A . 20 GLU C 1 1 17 6374 1 1 20 GLU CA C 12.140 -0.193 -0.379 1.00 . A A . 20 GLU CA 1 1 17 6375 1 1 20 GLU CB C 11.312 -1.075 -1.351 1.00 . A A . 20 GLU CB 1 1 17 6376 1 1 20 GLU CD C 12.731 -3.141 -1.125 1.00 . A A . 20 GLU CD 1 1 17 6377 1 1 20 GLU CG C 12.112 -2.151 -2.111 1.00 . A A . 20 GLU CG 1 1 17 6378 1 1 20 GLU H H 10.448 0.976 -0.140 1.00 . A A . 20 GLU H 1 1 17 6379 1 1 20 GLU HA H 12.635 -0.815 0.353 1.00 . A A . 20 GLU HA 1 1 17 6380 1 1 20 GLU HB2 H 10.512 -1.581 -0.764 1.00 . A A . 20 GLU HB2 1 1 17 6381 1 1 20 GLU HB3 H 10.801 -0.425 -2.096 1.00 . A A . 20 GLU HB3 1 1 17 6382 1 1 20 GLU HG2 H 11.431 -2.703 -2.795 1.00 . A A . 20 GLU HG2 1 1 17 6383 1 1 20 GLU HG3 H 12.906 -1.677 -2.724 1.00 . A A . 20 GLU HG3 1 1 17 6384 1 1 20 GLU N N 11.312 0.764 0.311 1.00 . A A . 20 GLU N 1 1 17 6385 1 1 20 GLU O O 14.368 0.308 -1.041 1.00 . A A . 20 GLU O 1 1 17 6386 1 1 20 GLU OE1 O 11.954 -3.837 -0.418 1.00 . A A . 20 GLU OE1 1 1 17 6387 1 1 20 GLU OE2 O 13.987 -3.214 -1.065 1.00 . A A . 20 GLU OE2 1 1 17 6388 1 1 21 HIS C C 14.113 1.642 -3.934 1.00 . A A . 21 HIS C 1 1 17 6389 1 1 21 HIS CA C 13.480 2.420 -2.806 1.00 . A A . 21 HIS CA 1 1 17 6390 1 1 21 HIS CB C 14.428 3.347 -2.010 1.00 . A A . 21 HIS CB 1 1 17 6391 1 1 21 HIS CD2 C 16.252 4.620 -3.337 1.00 . A A . 21 HIS CD2 1 1 17 6392 1 1 21 HIS CE1 C 15.128 6.299 -4.036 1.00 . A A . 21 HIS CE1 1 1 17 6393 1 1 21 HIS CG C 15.000 4.468 -2.834 1.00 . A A . 21 HIS CG 1 1 17 6394 1 1 21 HIS H H 11.719 1.741 -2.002 1.00 . A A . 21 HIS H 1 1 17 6395 1 1 21 HIS HA H 12.763 3.080 -3.269 1.00 . A A . 21 HIS HA 1 1 17 6396 1 1 21 HIS HB2 H 13.835 3.801 -1.185 1.00 . A A . 21 HIS HB2 1 1 17 6397 1 1 21 HIS HB3 H 15.243 2.762 -1.536 1.00 . A A . 21 HIS HB3 1 1 17 6398 1 1 21 HIS HD1 H 13.309 5.730 -3.108 1.00 . A A . 21 HIS HD1 1 1 17 6399 1 1 21 HIS HD2 H 17.104 3.965 -3.235 1.00 . A A . 21 HIS HD2 1 1 17 6400 1 1 21 HIS HE1 H 14.824 7.222 -4.526 1.00 . A A . 21 HIS HE1 1 1 17 6401 1 1 21 HIS N N 12.695 1.550 -1.971 1.00 . A A . 21 HIS N 1 1 17 6402 1 1 21 HIS ND1 N 14.277 5.548 -3.292 1.00 . A A . 21 HIS ND1 1 1 17 6403 1 1 21 HIS NE2 N 16.338 5.775 -4.093 1.00 . A A . 21 HIS NE2 1 1 17 6404 1 1 21 HIS O O 13.391 1.038 -4.726 1.00 . A A . 21 HIS O 1 1 17 6405 1 1 22 ILE C C 16.114 1.816 -6.330 1.00 . A A . 22 ILE C 1 1 17 6406 1 1 22 ILE CA C 16.264 1.024 -5.057 1.00 . A A . 22 ILE CA 1 1 17 6407 1 1 22 ILE CB C 16.084 -0.481 -5.268 1.00 . A A . 22 ILE CB 1 1 17 6408 1 1 22 ILE CD1 C 15.921 -2.744 -4.022 1.00 . A A . 22 ILE CD1 1 1 17 6409 1 1 22 ILE CG1 C 16.159 -1.234 -3.914 1.00 . A A . 22 ILE CG1 1 1 17 6410 1 1 22 ILE CG2 C 17.172 -0.965 -6.256 1.00 . A A . 22 ILE CG2 1 1 17 6411 1 1 22 ILE H H 16.028 2.148 -3.379 1.00 . A A . 22 ILE H 1 1 17 6412 1 1 22 ILE HA H 17.281 1.159 -4.719 1.00 . A A . 22 ILE HA 1 1 17 6413 1 1 22 ILE HB H 15.085 -0.681 -5.715 1.00 . A A . 22 ILE HB 1 1 17 6414 1 1 22 ILE HD11 H 14.937 -2.946 -4.497 1.00 . A A . 22 ILE HD11 1 1 17 6415 1 1 22 ILE HD12 H 15.925 -3.204 -3.012 1.00 . A A . 22 ILE HD12 1 1 17 6416 1 1 22 ILE HD13 H 16.716 -3.232 -4.625 1.00 . A A . 22 ILE HD13 1 1 17 6417 1 1 22 ILE HG12 H 17.156 -1.054 -3.454 1.00 . A A . 22 ILE HG12 1 1 17 6418 1 1 22 ILE HG13 H 15.387 -0.827 -3.226 1.00 . A A . 22 ILE HG13 1 1 17 6419 1 1 22 ILE HG21 H 17.082 -2.055 -6.439 1.00 . A A . 22 ILE HG21 1 1 17 6420 1 1 22 ILE HG22 H 18.178 -0.755 -5.836 1.00 . A A . 22 ILE HG22 1 1 17 6421 1 1 22 ILE HG23 H 17.084 -0.452 -7.234 1.00 . A A . 22 ILE HG23 1 1 17 6422 1 1 22 ILE N N 15.467 1.646 -4.028 1.00 . A A . 22 ILE N 1 1 17 6423 1 1 22 ILE O O 15.196 1.598 -7.119 1.00 . A A . 22 ILE O 1 1 17 6424 1 1 23 HIS C C 17.761 2.800 -8.813 1.00 . A A . 23 HIS C 1 1 17 6425 1 1 23 HIS CA C 17.121 3.601 -7.709 1.00 . A A . 23 HIS CA 1 1 17 6426 1 1 23 HIS CB C 17.919 4.906 -7.455 1.00 . A A . 23 HIS CB 1 1 17 6427 1 1 23 HIS CD2 C 17.363 5.851 -9.823 1.00 . A A . 23 HIS CD2 1 1 17 6428 1 1 23 HIS CE1 C 18.839 7.393 -9.964 1.00 . A A . 23 HIS CE1 1 1 17 6429 1 1 23 HIS CG C 18.072 5.800 -8.661 1.00 . A A . 23 HIS CG 1 1 17 6430 1 1 23 HIS H H 17.742 2.961 -5.851 1.00 . A A . 23 HIS H 1 1 17 6431 1 1 23 HIS HA H 16.114 3.858 -7.994 1.00 . A A . 23 HIS HA 1 1 17 6432 1 1 23 HIS HB2 H 17.394 5.492 -6.670 1.00 . A A . 23 HIS HB2 1 1 17 6433 1 1 23 HIS HB3 H 18.929 4.656 -7.061 1.00 . A A . 23 HIS HB3 1 1 17 6434 1 1 23 HIS HD1 H 19.695 7.035 -8.059 1.00 . A A . 23 HIS HD1 1 1 17 6435 1 1 23 HIS HD2 H 16.526 5.250 -10.153 1.00 . A A . 23 HIS HD2 1 1 17 6436 1 1 23 HIS HE1 H 19.454 8.222 -10.309 1.00 . A A . 23 HIS HE1 1 1 17 6437 1 1 23 HIS N N 17.048 2.773 -6.535 1.00 . A A . 23 HIS N 1 1 17 6438 1 1 23 HIS ND1 N 19.017 6.799 -8.757 1.00 . A A . 23 HIS ND1 1 1 17 6439 1 1 23 HIS NE2 N 17.848 6.852 -10.646 1.00 . A A . 23 HIS NE2 1 1 17 6440 1 1 23 HIS O O 17.065 2.288 -9.689 1.00 . A A . 23 HIS O 1 1 17 6441 1 1 24 HIS C C 19.785 2.646 -11.140 1.00 . A A . 24 HIS C 1 1 17 6442 1 1 24 HIS CA C 19.923 1.988 -9.746 1.00 . A A . 24 HIS CA 1 1 17 6443 1 1 24 HIS CB C 19.668 0.458 -9.785 1.00 . A A . 24 HIS CB 1 1 17 6444 1 1 24 HIS CD2 C 21.739 -1.101 -9.811 1.00 . A A . 24 HIS CD2 1 1 17 6445 1 1 24 HIS CE1 C 22.112 -1.241 -11.913 1.00 . A A . 24 HIS CE1 1 1 17 6446 1 1 24 HIS CG C 20.779 -0.345 -10.413 1.00 . A A . 24 HIS CG 1 1 17 6447 1 1 24 HIS H H 19.628 3.112 -8.036 1.00 . A A . 24 HIS H 1 1 17 6448 1 1 24 HIS HA H 20.942 2.126 -9.412 1.00 . A A . 24 HIS HA 1 1 17 6449 1 1 24 HIS HB2 H 19.577 0.103 -8.735 1.00 . A A . 24 HIS HB2 1 1 17 6450 1 1 24 HIS HB3 H 18.706 0.235 -10.292 1.00 . A A . 24 HIS HB3 1 1 17 6451 1 1 24 HIS HD1 H 20.499 0.009 -12.491 1.00 . A A . 24 HIS HD1 1 1 17 6452 1 1 24 HIS HD2 H 21.906 -1.292 -8.759 1.00 . A A . 24 HIS HD2 1 1 17 6453 1 1 24 HIS HE1 H 22.531 -1.490 -12.885 1.00 . A A . 24 HIS HE1 1 1 17 6454 1 1 24 HIS N N 19.112 2.685 -8.774 1.00 . A A . 24 HIS N 1 1 17 6455 1 1 24 HIS ND1 N 21.026 -0.439 -11.767 1.00 . A A . 24 HIS ND1 1 1 17 6456 1 1 24 HIS NE2 N 22.578 -1.666 -10.755 1.00 . A A . 24 HIS NE2 1 1 17 6457 1 1 24 HIS O O 19.279 2.042 -12.092 1.00 . A A . 24 HIS O 1 1 17 6458 1 1 25 NH2 HN1 H 20.636 4.384 -10.433 1.00 . A A . 25 NH2 HN1 1 1 17 6459 1 1 25 NH2 HN2 H 20.177 4.423 -12.103 1.00 . A A . 25 NH2 HN2 1 1 17 6460 1 1 25 NH2 N N 20.244 3.932 -11.235 1.00 . A A . 25 NH2 N 1 1 18 6461 1 1 1 ACE C C -9.907 15.184 -4.459 1.00 . A A . 1 ACE C 1 1 18 6462 1 1 1 ACE CH3 C -8.632 15.516 -3.747 1.00 . A A . 1 ACE CH3 1 1 18 6463 1 1 1 ACE H1 H -7.957 14.634 -3.720 1.00 . A A . 1 ACE H1 1 1 18 6464 1 1 1 ACE H2 H -8.106 16.342 -4.274 1.00 . A A . 1 ACE H2 1 1 18 6465 1 1 1 ACE H3 H -8.842 15.844 -2.706 1.00 . A A . 1 ACE H3 1 1 18 6466 1 1 1 ACE O O -10.251 15.844 -5.437 1.00 . A A . 1 ACE O 1 1 18 6467 1 1 2 PHE C C -9.632 12.106 -3.330 1.00 . A A . 2 PHE C 1 1 18 6468 1 1 2 PHE CA C -10.386 13.317 -2.857 1.00 . A A . 2 PHE CA 1 1 18 6469 1 1 2 PHE CB C -11.679 12.827 -2.154 1.00 . A A . 2 PHE CB 1 1 18 6470 1 1 2 PHE CD1 C -12.071 14.801 -0.627 1.00 . A A . 2 PHE CD1 1 1 18 6471 1 1 2 PHE CD2 C -13.703 14.331 -2.353 1.00 . A A . 2 PHE CD2 1 1 18 6472 1 1 2 PHE CE1 C -12.826 15.904 -0.211 1.00 . A A . 2 PHE CE1 1 1 18 6473 1 1 2 PHE CE2 C -14.460 15.434 -1.939 1.00 . A A . 2 PHE CE2 1 1 18 6474 1 1 2 PHE CG C -12.500 14.005 -1.703 1.00 . A A . 2 PHE CG 1 1 18 6475 1 1 2 PHE CZ C -14.022 16.222 -0.868 1.00 . A A . 2 PHE CZ 1 1 18 6476 1 1 2 PHE H H -11.504 13.910 -4.485 1.00 . A A . 2 PHE H 1 1 18 6477 1 1 2 PHE HA H -9.778 13.853 -2.143 1.00 . A A . 2 PHE HA 1 1 18 6478 1 1 2 PHE HB2 H -12.292 12.210 -2.847 1.00 . A A . 2 PHE HB2 1 1 18 6479 1 1 2 PHE HB3 H -11.441 12.222 -1.252 1.00 . A A . 2 PHE HB3 1 1 18 6480 1 1 2 PHE HD1 H -11.149 14.563 -0.116 1.00 . A A . 2 PHE HD1 1 1 18 6481 1 1 2 PHE HD2 H -14.045 13.731 -3.184 1.00 . A A . 2 PHE HD2 1 1 18 6482 1 1 2 PHE HE1 H -12.487 16.510 0.617 1.00 . A A . 2 PHE HE1 1 1 18 6483 1 1 2 PHE HE2 H -15.382 15.678 -2.447 1.00 . A A . 2 PHE HE2 1 1 18 6484 1 1 2 PHE HZ H -14.605 17.072 -0.547 1.00 . A A . 2 PHE HZ 1 1 18 6485 1 1 2 PHE N N -10.661 14.149 -4.009 1.00 . A A . 2 PHE N 1 1 18 6486 1 1 2 PHE O O -9.391 11.934 -4.525 1.00 . A A . 2 PHE O 1 1 18 6487 1 1 3 GLU C C -9.723 8.930 -2.517 1.00 . A A . 3 GLU C 1 1 18 6488 1 1 3 GLU CA C -8.627 9.955 -2.659 1.00 . A A . 3 GLU CA 1 1 18 6489 1 1 3 GLU CB C -7.430 9.657 -1.723 1.00 . A A . 3 GLU CB 1 1 18 6490 1 1 3 GLU CD C -5.353 8.317 -1.265 1.00 . A A . 3 GLU CD 1 1 18 6491 1 1 3 GLU CG C -6.569 8.464 -2.178 1.00 . A A . 3 GLU CG 1 1 18 6492 1 1 3 GLU H H -9.426 11.403 -1.410 1.00 . A A . 3 GLU H 1 1 18 6493 1 1 3 GLU HA H -8.272 9.944 -3.680 1.00 . A A . 3 GLU HA 1 1 18 6494 1 1 3 GLU HB2 H -6.779 10.562 -1.722 1.00 . A A . 3 GLU HB2 1 1 18 6495 1 1 3 GLU HB3 H -7.788 9.506 -0.683 1.00 . A A . 3 GLU HB3 1 1 18 6496 1 1 3 GLU HG2 H -7.163 7.527 -2.155 1.00 . A A . 3 GLU HG2 1 1 18 6497 1 1 3 GLU HG3 H -6.230 8.637 -3.222 1.00 . A A . 3 GLU HG3 1 1 18 6498 1 1 3 GLU N N -9.245 11.226 -2.374 1.00 . A A . 3 GLU N 1 1 18 6499 1 1 3 GLU O O -9.723 8.093 -1.615 1.00 . A A . 3 GLU O 1 1 18 6500 1 1 3 GLU OE1 O -5.552 8.126 -0.035 1.00 . A A . 3 GLU OE1 1 1 18 6501 1 1 3 GLU OE2 O -4.207 8.390 -1.784 1.00 . A A . 3 GLU OE2 1 1 18 6502 1 1 4 ASP C C -11.558 6.964 -4.364 1.00 . A A . 4 ASP C 1 1 18 6503 1 1 4 ASP CA C -11.875 8.164 -3.510 1.00 . A A . 4 ASP CA 1 1 18 6504 1 1 4 ASP CB C -13.123 8.924 -4.051 1.00 . A A . 4 ASP CB 1 1 18 6505 1 1 4 ASP CG C -12.837 9.711 -5.335 1.00 . A A . 4 ASP CG 1 1 18 6506 1 1 4 ASP H H -10.671 9.713 -4.152 1.00 . A A . 4 ASP H 1 1 18 6507 1 1 4 ASP HA H -12.096 7.805 -2.518 1.00 . A A . 4 ASP HA 1 1 18 6508 1 1 4 ASP HB2 H -13.965 8.221 -4.223 1.00 . A A . 4 ASP HB2 1 1 18 6509 1 1 4 ASP HB3 H -13.443 9.646 -3.266 1.00 . A A . 4 ASP HB3 1 1 18 6510 1 1 4 ASP N N -10.710 9.013 -3.442 1.00 . A A . 4 ASP N 1 1 18 6511 1 1 4 ASP O O -12.201 5.920 -4.258 1.00 . A A . 4 ASP O 1 1 18 6512 1 1 4 ASP OD1 O -12.723 9.075 -6.417 1.00 . A A . 4 ASP OD1 1 1 18 6513 1 1 4 ASP OD2 O -12.733 10.965 -5.248 1.00 . A A . 4 ASP OD2 1 1 18 6514 1 1 5 LEU C C -9.087 5.187 -5.159 1.00 . A A . 5 LEU C 1 1 18 6515 1 1 5 LEU CA C -9.946 6.078 -6.043 1.00 . A A . 5 LEU CA 1 1 18 6516 1 1 5 LEU CB C -9.153 6.656 -7.262 1.00 . A A . 5 LEU CB 1 1 18 6517 1 1 5 LEU CD1 C -9.018 9.253 -7.020 1.00 . A A . 5 LEU CD1 1 1 18 6518 1 1 5 LEU CD2 C -7.229 7.803 -5.924 1.00 . A A . 5 LEU CD2 1 1 18 6519 1 1 5 LEU CG C -8.248 7.914 -7.071 1.00 . A A . 5 LEU CG 1 1 18 6520 1 1 5 LEU H H -10.040 7.981 -5.247 1.00 . A A . 5 LEU H 1 1 18 6521 1 1 5 LEU HA H -10.771 5.487 -6.417 1.00 . A A . 5 LEU HA 1 1 18 6522 1 1 5 LEU HB2 H -8.514 5.854 -7.691 1.00 . A A . 5 LEU HB2 1 1 18 6523 1 1 5 LEU HB3 H -9.900 6.927 -8.044 1.00 . A A . 5 LEU HB3 1 1 18 6524 1 1 5 LEU HD11 H -9.591 9.354 -6.076 1.00 . A A . 5 LEU HD11 1 1 18 6525 1 1 5 LEU HD12 H -9.722 9.325 -7.875 1.00 . A A . 5 LEU HD12 1 1 18 6526 1 1 5 LEU HD13 H -8.304 10.102 -7.080 1.00 . A A . 5 LEU HD13 1 1 18 6527 1 1 5 LEU HD21 H -6.500 8.637 -5.973 1.00 . A A . 5 LEU HD21 1 1 18 6528 1 1 5 LEU HD22 H -6.678 6.842 -5.997 1.00 . A A . 5 LEU HD22 1 1 18 6529 1 1 5 LEU HD23 H -7.743 7.847 -4.941 1.00 . A A . 5 LEU HD23 1 1 18 6530 1 1 5 LEU HG H -7.642 7.967 -8.010 1.00 . A A . 5 LEU HG 1 1 18 6531 1 1 5 LEU N N -10.511 7.104 -5.207 1.00 . A A . 5 LEU N 1 1 18 6532 1 1 5 LEU O O -8.742 5.619 -4.057 1.00 . A A . 5 LEU O 1 1 18 6533 1 1 6 PRO C C -6.576 3.209 -4.644 1.00 . A A . 6 PRO C 1 1 18 6534 1 1 6 PRO CA C -8.080 3.013 -4.636 1.00 . A A . 6 PRO CA 1 1 18 6535 1 1 6 PRO CB C -8.481 1.632 -5.184 1.00 . A A . 6 PRO CB 1 1 18 6536 1 1 6 PRO CD C -9.303 3.265 -6.706 1.00 . A A . 6 PRO CD 1 1 18 6537 1 1 6 PRO CG C -8.688 1.867 -6.681 1.00 . A A . 6 PRO CG 1 1 18 6538 1 1 6 PRO HA H -8.434 3.136 -3.622 1.00 . A A . 6 PRO HA 1 1 18 6539 1 1 6 PRO HB2 H -7.760 0.822 -4.966 1.00 . A A . 6 PRO HB2 1 1 18 6540 1 1 6 PRO HB3 H -9.463 1.352 -4.738 1.00 . A A . 6 PRO HB3 1 1 18 6541 1 1 6 PRO HD2 H -9.037 3.796 -7.644 1.00 . A A . 6 PRO HD2 1 1 18 6542 1 1 6 PRO HD3 H -10.407 3.201 -6.595 1.00 . A A . 6 PRO HD3 1 1 18 6543 1 1 6 PRO HG2 H -7.704 1.879 -7.196 1.00 . A A . 6 PRO HG2 1 1 18 6544 1 1 6 PRO HG3 H -9.344 1.103 -7.145 1.00 . A A . 6 PRO HG3 1 1 18 6545 1 1 6 PRO N N -8.748 3.947 -5.533 1.00 . A A . 6 PRO N 1 1 18 6546 1 1 6 PRO O O -5.843 2.259 -4.912 1.00 . A A . 6 PRO O 1 1 18 6547 1 1 7 ASN C C -4.737 4.716 -2.381 1.00 . A A . 7 ASN C 1 1 18 6548 1 1 7 ASN CA C -4.742 4.694 -3.890 1.00 . A A . 7 ASN CA 1 1 18 6549 1 1 7 ASN CB C -4.201 6.050 -4.403 1.00 . A A . 7 ASN CB 1 1 18 6550 1 1 7 ASN CG C -3.992 6.013 -5.925 1.00 . A A . 7 ASN CG 1 1 18 6551 1 1 7 ASN H H -6.723 5.192 -4.158 1.00 . A A . 7 ASN H 1 1 18 6552 1 1 7 ASN HA H -4.105 3.891 -4.217 1.00 . A A . 7 ASN HA 1 1 18 6553 1 1 7 ASN HB2 H -4.913 6.863 -4.146 1.00 . A A . 7 ASN HB2 1 1 18 6554 1 1 7 ASN HB3 H -3.221 6.270 -3.930 1.00 . A A . 7 ASN HB3 1 1 18 6555 1 1 7 ASN HD21 H -3.626 8.039 -5.939 1.00 . A A . 7 ASN HD21 1 1 18 6556 1 1 7 ASN HD22 H -3.531 7.270 -7.488 1.00 . A A . 7 ASN HD22 1 1 18 6557 1 1 7 ASN N N -6.103 4.425 -4.289 1.00 . A A . 7 ASN N 1 1 18 6558 1 1 7 ASN ND2 N -3.686 7.215 -6.502 1.00 . A A . 7 ASN ND2 1 1 18 6559 1 1 7 ASN O O -3.676 4.711 -1.760 1.00 . A A . 7 ASN O 1 1 18 6560 1 1 7 ASN OD1 O -4.084 4.963 -6.570 1.00 . A A . 7 ASN OD1 1 1 18 6561 1 1 8 PHE C C -6.180 3.080 -0.030 1.00 . A A . 8 PHE C 1 1 18 6562 1 1 8 PHE CA C -6.179 4.557 -0.354 1.00 . A A . 8 PHE CA 1 1 18 6563 1 1 8 PHE CB C -7.543 5.186 0.051 1.00 . A A . 8 PHE CB 1 1 18 6564 1 1 8 PHE CD1 C -6.847 5.876 2.391 1.00 . A A . 8 PHE CD1 1 1 18 6565 1 1 8 PHE CD2 C -8.870 4.575 2.117 1.00 . A A . 8 PHE CD2 1 1 18 6566 1 1 8 PHE CE1 C -7.042 5.889 3.778 1.00 . A A . 8 PHE CE1 1 1 18 6567 1 1 8 PHE CE2 C -9.068 4.587 3.503 1.00 . A A . 8 PHE CE2 1 1 18 6568 1 1 8 PHE CG C -7.756 5.216 1.546 1.00 . A A . 8 PHE CG 1 1 18 6569 1 1 8 PHE CZ C -8.153 5.244 4.334 1.00 . A A . 8 PHE CZ 1 1 18 6570 1 1 8 PHE H H -6.783 4.742 -2.315 1.00 . A A . 8 PHE H 1 1 18 6571 1 1 8 PHE HA H -5.367 5.037 0.173 1.00 . A A . 8 PHE HA 1 1 18 6572 1 1 8 PHE HB2 H -7.579 6.239 -0.300 1.00 . A A . 8 PHE HB2 1 1 18 6573 1 1 8 PHE HB3 H -8.380 4.636 -0.433 1.00 . A A . 8 PHE HB3 1 1 18 6574 1 1 8 PHE HD1 H -5.985 6.376 1.976 1.00 . A A . 8 PHE HD1 1 1 18 6575 1 1 8 PHE HD2 H -9.578 4.062 1.482 1.00 . A A . 8 PHE HD2 1 1 18 6576 1 1 8 PHE HE1 H -6.335 6.397 4.418 1.00 . A A . 8 PHE HE1 1 1 18 6577 1 1 8 PHE HE2 H -9.926 4.088 3.930 1.00 . A A . 8 PHE HE2 1 1 18 6578 1 1 8 PHE HZ H -8.305 5.254 5.403 1.00 . A A . 8 PHE HZ 1 1 18 6579 1 1 8 PHE N N -5.949 4.705 -1.768 1.00 . A A . 8 PHE N 1 1 18 6580 1 1 8 PHE O O -5.888 2.688 1.097 1.00 . A A . 8 PHE O 1 1 18 6581 1 1 9 GLY C C -5.047 0.310 -1.170 1.00 . A A . 9 GLY C 1 1 18 6582 1 1 9 GLY CA C -6.445 0.788 -0.898 1.00 . A A . 9 GLY CA 1 1 18 6583 1 1 9 GLY H H -6.744 2.560 -1.937 1.00 . A A . 9 GLY H 1 1 18 6584 1 1 9 GLY HA2 H -6.729 0.507 0.107 1.00 . A A . 9 GLY HA2 1 1 18 6585 1 1 9 GLY HA3 H -7.096 0.381 -1.658 1.00 . A A . 9 GLY HA3 1 1 18 6586 1 1 9 GLY N N -6.496 2.224 -1.031 1.00 . A A . 9 GLY N 1 1 18 6587 1 1 9 GLY O O -4.586 -0.660 -0.572 1.00 . A A . 9 GLY O 1 1 18 6588 1 1 10 HIS C C -1.999 1.465 -1.671 1.00 . A A . 10 HIS C 1 1 18 6589 1 1 10 HIS CA C -2.996 0.701 -2.514 1.00 . A A . 10 HIS CA 1 1 18 6590 1 1 10 HIS CB C -2.820 1.099 -4.003 1.00 . A A . 10 HIS CB 1 1 18 6591 1 1 10 HIS CD2 C -0.533 1.292 -5.212 1.00 . A A . 10 HIS CD2 1 1 18 6592 1 1 10 HIS CE1 C -0.142 -0.769 -5.625 1.00 . A A . 10 HIS CE1 1 1 18 6593 1 1 10 HIS CG C -1.577 0.596 -4.683 1.00 . A A . 10 HIS CG 1 1 18 6594 1 1 10 HIS H H -4.752 1.792 -2.551 1.00 . A A . 10 HIS H 1 1 18 6595 1 1 10 HIS HA H -2.815 -0.358 -2.400 1.00 . A A . 10 HIS HA 1 1 18 6596 1 1 10 HIS HB2 H -3.682 0.693 -4.574 1.00 . A A . 10 HIS HB2 1 1 18 6597 1 1 10 HIS HB3 H -2.851 2.205 -4.100 1.00 . A A . 10 HIS HB3 1 1 18 6598 1 1 10 HIS HD1 H -1.903 -1.504 -4.702 1.00 . A A . 10 HIS HD1 1 1 18 6599 1 1 10 HIS HD2 H -0.356 2.360 -5.232 1.00 . A A . 10 HIS HD2 1 1 18 6600 1 1 10 HIS HE1 H 0.312 -1.698 -5.964 1.00 . A A . 10 HIS HE1 1 1 18 6601 1 1 10 HIS N N -4.344 1.007 -2.093 1.00 . A A . 10 HIS N 1 1 18 6602 1 1 10 HIS ND1 N -1.319 -0.730 -4.951 1.00 . A A . 10 HIS ND1 1 1 18 6603 1 1 10 HIS NE2 N 0.374 0.433 -5.804 1.00 . A A . 10 HIS NE2 1 1 18 6604 1 1 10 HIS O O -0.841 1.598 -2.057 1.00 . A A . 10 HIS O 1 1 18 6605 1 1 11 ILE C C -0.506 2.112 1.034 1.00 . A A . 11 ILE C 1 1 18 6606 1 1 11 ILE CA C -1.634 2.856 0.355 1.00 . A A . 11 ILE CA 1 1 18 6607 1 1 11 ILE CB C -2.500 3.605 1.372 1.00 . A A . 11 ILE CB 1 1 18 6608 1 1 11 ILE CD1 C -1.436 5.937 0.988 1.00 . A A . 11 ILE CD1 1 1 18 6609 1 1 11 ILE CG1 C -1.799 4.841 1.996 1.00 . A A . 11 ILE CG1 1 1 18 6610 1 1 11 ILE CG2 C -3.047 2.652 2.459 1.00 . A A . 11 ILE CG2 1 1 18 6611 1 1 11 ILE H H -3.355 1.828 -0.171 1.00 . A A . 11 ILE H 1 1 18 6612 1 1 11 ILE HA H -1.187 3.579 -0.310 1.00 . A A . 11 ILE HA 1 1 18 6613 1 1 11 ILE HB H -3.383 3.998 0.816 1.00 . A A . 11 ILE HB 1 1 18 6614 1 1 11 ILE HD11 H -2.332 6.240 0.406 1.00 . A A . 11 ILE HD11 1 1 18 6615 1 1 11 ILE HD12 H -0.655 5.586 0.283 1.00 . A A . 11 ILE HD12 1 1 18 6616 1 1 11 ILE HD13 H -1.045 6.830 1.521 1.00 . A A . 11 ILE HD13 1 1 18 6617 1 1 11 ILE HG12 H -2.495 5.282 2.746 1.00 . A A . 11 ILE HG12 1 1 18 6618 1 1 11 ILE HG13 H -0.885 4.519 2.537 1.00 . A A . 11 ILE HG13 1 1 18 6619 1 1 11 ILE HG21 H -3.797 3.184 3.082 1.00 . A A . 11 ILE HG21 1 1 18 6620 1 1 11 ILE HG22 H -2.233 2.301 3.127 1.00 . A A . 11 ILE HG22 1 1 18 6621 1 1 11 ILE HG23 H -3.538 1.769 2.000 1.00 . A A . 11 ILE HG23 1 1 18 6622 1 1 11 ILE N N -2.422 1.980 -0.487 1.00 . A A . 11 ILE N 1 1 18 6623 1 1 11 ILE O O 0.537 2.691 1.323 1.00 . A A . 11 ILE O 1 1 18 6624 1 1 12 GLN C C 1.464 -0.300 1.016 1.00 . A A . 12 GLN C 1 1 18 6625 1 1 12 GLN CA C 0.278 -0.066 1.921 1.00 . A A . 12 GLN CA 1 1 18 6626 1 1 12 GLN CB C -0.370 -1.425 2.277 1.00 . A A . 12 GLN CB 1 1 18 6627 1 1 12 GLN CD C -0.191 -3.671 3.406 1.00 . A A . 12 GLN CD 1 1 18 6628 1 1 12 GLN CG C 0.520 -2.339 3.138 1.00 . A A . 12 GLN CG 1 1 18 6629 1 1 12 GLN H H -1.531 0.339 1.000 1.00 . A A . 12 GLN H 1 1 18 6630 1 1 12 GLN HA H 0.611 0.430 2.823 1.00 . A A . 12 GLN HA 1 1 18 6631 1 1 12 GLN HB2 H -1.306 -1.214 2.840 1.00 . A A . 12 GLN HB2 1 1 18 6632 1 1 12 GLN HB3 H -0.655 -1.953 1.341 1.00 . A A . 12 GLN HB3 1 1 18 6633 1 1 12 GLN HE21 H -1.552 -2.750 4.645 1.00 . A A . 12 GLN HE21 1 1 18 6634 1 1 12 GLN HE22 H -1.773 -4.459 4.458 1.00 . A A . 12 GLN HE22 1 1 18 6635 1 1 12 GLN HG2 H 1.468 -2.550 2.601 1.00 . A A . 12 GLN HG2 1 1 18 6636 1 1 12 GLN HG3 H 0.764 -1.841 4.100 1.00 . A A . 12 GLN HG3 1 1 18 6637 1 1 12 GLN N N -0.684 0.790 1.267 1.00 . A A . 12 GLN N 1 1 18 6638 1 1 12 GLN NE2 N -1.268 -3.622 4.247 1.00 . A A . 12 GLN NE2 1 1 18 6639 1 1 12 GLN O O 2.605 -0.361 1.470 1.00 . A A . 12 GLN O 1 1 18 6640 1 1 12 GLN OE1 O 0.214 -4.713 2.879 1.00 . A A . 12 GLN OE1 1 1 18 6641 1 1 13 VAL C C 2.978 0.560 -1.625 1.00 . A A . 13 VAL C 1 1 18 6642 1 1 13 VAL CA C 2.166 -0.676 -1.337 1.00 . A A . 13 VAL CA 1 1 18 6643 1 1 13 VAL CB C 1.491 -1.196 -2.600 1.00 . A A . 13 VAL CB 1 1 18 6644 1 1 13 VAL CG1 C 2.526 -1.458 -3.715 1.00 . A A . 13 VAL CG1 1 1 18 6645 1 1 13 VAL CG2 C 0.722 -2.487 -2.245 1.00 . A A . 13 VAL CG2 1 1 18 6646 1 1 13 VAL H H 0.257 -0.319 -0.635 1.00 . A A . 13 VAL H 1 1 18 6647 1 1 13 VAL HA H 2.841 -1.416 -0.955 1.00 . A A . 13 VAL HA 1 1 18 6648 1 1 13 VAL HB H 0.751 -0.449 -2.966 1.00 . A A . 13 VAL HB 1 1 18 6649 1 1 13 VAL HG11 H 2.052 -2.003 -4.557 1.00 . A A . 13 VAL HG11 1 1 18 6650 1 1 13 VAL HG12 H 3.365 -2.067 -3.322 1.00 . A A . 13 VAL HG12 1 1 18 6651 1 1 13 VAL HG13 H 2.932 -0.504 -4.110 1.00 . A A . 13 VAL HG13 1 1 18 6652 1 1 13 VAL HG21 H 0.269 -2.921 -3.162 1.00 . A A . 13 VAL HG21 1 1 18 6653 1 1 13 VAL HG22 H -0.096 -2.285 -1.523 1.00 . A A . 13 VAL HG22 1 1 18 6654 1 1 13 VAL HG23 H 1.411 -3.238 -1.804 1.00 . A A . 13 VAL HG23 1 1 18 6655 1 1 13 VAL N N 1.194 -0.406 -0.305 1.00 . A A . 13 VAL N 1 1 18 6656 1 1 13 VAL O O 4.163 0.477 -1.941 1.00 . A A . 13 VAL O 1 1 18 6657 1 1 14 LYS C C 3.977 3.356 -0.638 1.00 . A A . 14 LYS C 1 1 18 6658 1 1 14 LYS CA C 2.947 3.040 -1.696 1.00 . A A . 14 LYS CA 1 1 18 6659 1 1 14 LYS CB C 1.901 4.178 -1.710 1.00 . A A . 14 LYS CB 1 1 18 6660 1 1 14 LYS CD C -0.183 5.114 -2.915 1.00 . A A . 14 LYS CD 1 1 18 6661 1 1 14 LYS CE C 0.151 6.596 -2.695 1.00 . A A . 14 LYS CE 1 1 18 6662 1 1 14 LYS CG C 1.049 4.195 -2.991 1.00 . A A . 14 LYS CG 1 1 18 6663 1 1 14 LYS H H 1.400 1.727 -1.171 1.00 . A A . 14 LYS H 1 1 18 6664 1 1 14 LYS HA H 3.451 3.016 -2.652 1.00 . A A . 14 LYS HA 1 1 18 6665 1 1 14 LYS HB2 H 1.234 4.067 -0.827 1.00 . A A . 14 LYS HB2 1 1 18 6666 1 1 14 LYS HB3 H 2.410 5.164 -1.633 1.00 . A A . 14 LYS HB3 1 1 18 6667 1 1 14 LYS HD2 H -0.754 5.008 -3.866 1.00 . A A . 14 LYS HD2 1 1 18 6668 1 1 14 LYS HD3 H -0.837 4.758 -2.089 1.00 . A A . 14 LYS HD3 1 1 18 6669 1 1 14 LYS HE2 H 0.702 6.742 -1.742 1.00 . A A . 14 LYS HE2 1 1 18 6670 1 1 14 LYS HE3 H 0.761 6.986 -3.536 1.00 . A A . 14 LYS HE3 1 1 18 6671 1 1 14 LYS HG2 H 1.690 4.508 -3.845 1.00 . A A . 14 LYS HG2 1 1 18 6672 1 1 14 LYS HG3 H 0.696 3.163 -3.202 1.00 . A A . 14 LYS HG3 1 1 18 6673 1 1 14 LYS HZ1 H -1.667 7.078 -1.820 1.00 . A A . 14 LYS HZ1 1 1 18 6674 1 1 14 LYS HZ2 H -1.619 7.314 -3.502 1.00 . A A . 14 LYS HZ2 1 1 18 6675 1 1 14 LYS HZ3 H -0.832 8.409 -2.468 1.00 . A A . 14 LYS HZ3 1 1 18 6676 1 1 14 LYS N N 2.347 1.741 -1.473 1.00 . A A . 14 LYS N 1 1 18 6677 1 1 14 LYS NZ N -1.084 7.410 -2.615 1.00 . A A . 14 LYS NZ 1 1 18 6678 1 1 14 LYS O O 4.961 4.035 -0.922 1.00 . A A . 14 LYS O 1 1 18 6679 1 1 15 VAL C C 5.907 2.123 1.489 1.00 . A A . 15 VAL C 1 1 18 6680 1 1 15 VAL CA C 4.701 3.008 1.710 1.00 . A A . 15 VAL CA 1 1 18 6681 1 1 15 VAL CB C 4.027 2.702 3.048 1.00 . A A . 15 VAL CB 1 1 18 6682 1 1 15 VAL CG1 C 5.038 2.610 4.213 1.00 . A A . 15 VAL CG1 1 1 18 6683 1 1 15 VAL CG2 C 2.996 3.816 3.326 1.00 . A A . 15 VAL CG2 1 1 18 6684 1 1 15 VAL H H 2.974 2.298 0.805 1.00 . A A . 15 VAL H 1 1 18 6685 1 1 15 VAL HA H 5.041 4.035 1.719 1.00 . A A . 15 VAL HA 1 1 18 6686 1 1 15 VAL HB H 3.490 1.729 2.974 1.00 . A A . 15 VAL HB 1 1 18 6687 1 1 15 VAL HG11 H 5.652 3.533 4.266 1.00 . A A . 15 VAL HG11 1 1 18 6688 1 1 15 VAL HG12 H 5.709 1.735 4.097 1.00 . A A . 15 VAL HG12 1 1 18 6689 1 1 15 VAL HG13 H 4.494 2.495 5.174 1.00 . A A . 15 VAL HG13 1 1 18 6690 1 1 15 VAL HG21 H 3.514 4.790 3.458 1.00 . A A . 15 VAL HG21 1 1 18 6691 1 1 15 VAL HG22 H 2.432 3.590 4.255 1.00 . A A . 15 VAL HG22 1 1 18 6692 1 1 15 VAL HG23 H 2.274 3.919 2.493 1.00 . A A . 15 VAL HG23 1 1 18 6693 1 1 15 VAL N N 3.782 2.845 0.602 1.00 . A A . 15 VAL N 1 1 18 6694 1 1 15 VAL O O 7.030 2.519 1.803 1.00 . A A . 15 VAL O 1 1 18 6695 1 1 16 PHE C C 7.744 0.461 -0.345 1.00 . A A . 16 PHE C 1 1 18 6696 1 1 16 PHE CA C 6.758 -0.050 0.672 1.00 . A A . 16 PHE CA 1 1 18 6697 1 1 16 PHE CB C 6.258 -1.424 0.148 1.00 . A A . 16 PHE CB 1 1 18 6698 1 1 16 PHE CD1 C 5.520 -2.100 2.518 1.00 . A A . 16 PHE CD1 1 1 18 6699 1 1 16 PHE CD2 C 4.503 -3.145 0.587 1.00 . A A . 16 PHE CD2 1 1 18 6700 1 1 16 PHE CE1 C 4.745 -2.909 3.360 1.00 . A A . 16 PHE CE1 1 1 18 6701 1 1 16 PHE CE2 C 3.731 -3.957 1.425 1.00 . A A . 16 PHE CE2 1 1 18 6702 1 1 16 PHE CG C 5.404 -2.205 1.117 1.00 . A A . 16 PHE CG 1 1 18 6703 1 1 16 PHE CZ C 3.856 -3.841 2.815 1.00 . A A . 16 PHE CZ 1 1 18 6704 1 1 16 PHE H H 4.788 0.617 0.643 1.00 . A A . 16 PHE H 1 1 18 6705 1 1 16 PHE HA H 7.296 -0.186 1.598 1.00 . A A . 16 PHE HA 1 1 18 6706 1 1 16 PHE HB2 H 5.677 -1.284 -0.789 1.00 . A A . 16 PHE HB2 1 1 18 6707 1 1 16 PHE HB3 H 7.129 -2.077 -0.074 1.00 . A A . 16 PHE HB3 1 1 18 6708 1 1 16 PHE HD1 H 6.218 -1.416 2.973 1.00 . A A . 16 PHE HD1 1 1 18 6709 1 1 16 PHE HD2 H 4.413 -3.253 -0.483 1.00 . A A . 16 PHE HD2 1 1 18 6710 1 1 16 PHE HE1 H 4.845 -2.822 4.432 1.00 . A A . 16 PHE HE1 1 1 18 6711 1 1 16 PHE HE2 H 3.044 -4.673 1.001 1.00 . A A . 16 PHE HE2 1 1 18 6712 1 1 16 PHE HZ H 3.261 -4.466 3.463 1.00 . A A . 16 PHE HZ 1 1 18 6713 1 1 16 PHE N N 5.702 0.911 0.913 1.00 . A A . 16 PHE N 1 1 18 6714 1 1 16 PHE O O 8.941 0.477 -0.076 1.00 . A A . 16 PHE O 1 1 18 6715 1 1 17 ASN C C 8.720 2.662 -2.485 1.00 . A A . 17 ASN C 1 1 18 6716 1 1 17 ASN CA C 8.138 1.276 -2.634 1.00 . A A . 17 ASN CA 1 1 18 6717 1 1 17 ASN CB C 7.459 1.128 -4.028 1.00 . A A . 17 ASN CB 1 1 18 6718 1 1 17 ASN CG C 6.129 1.896 -4.168 1.00 . A A . 17 ASN CG 1 1 18 6719 1 1 17 ASN H H 6.292 0.921 -1.731 1.00 . A A . 17 ASN H 1 1 18 6720 1 1 17 ASN HA H 8.981 0.597 -2.608 1.00 . A A . 17 ASN HA 1 1 18 6721 1 1 17 ASN HB2 H 8.152 1.473 -4.823 1.00 . A A . 17 ASN HB2 1 1 18 6722 1 1 17 ASN HB3 H 7.266 0.045 -4.188 1.00 . A A . 17 ASN HB3 1 1 18 6723 1 1 17 ASN HD21 H 5.276 0.292 -5.136 1.00 . A A . 17 ASN HD21 1 1 18 6724 1 1 17 ASN HD22 H 4.238 1.665 -4.945 1.00 . A A . 17 ASN HD22 1 1 18 6725 1 1 17 ASN N N 7.270 0.897 -1.536 1.00 . A A . 17 ASN N 1 1 18 6726 1 1 17 ASN ND2 N 5.124 1.224 -4.809 1.00 . A A . 17 ASN ND2 1 1 18 6727 1 1 17 ASN O O 9.573 3.067 -3.273 1.00 . A A . 17 ASN O 1 1 18 6728 1 1 17 ASN OD1 O 5.996 3.052 -3.751 1.00 . A A . 17 ASN OD1 1 1 18 6729 1 1 18 HIS C C 10.179 4.543 -0.473 1.00 . A A . 18 HIS C 1 1 18 6730 1 1 18 HIS CA C 8.830 4.711 -1.126 1.00 . A A . 18 HIS CA 1 1 18 6731 1 1 18 HIS CB C 7.910 5.514 -0.178 1.00 . A A . 18 HIS CB 1 1 18 6732 1 1 18 HIS CD2 C 9.191 7.353 1.115 1.00 . A A . 18 HIS CD2 1 1 18 6733 1 1 18 HIS CE1 C 8.901 9.025 -0.185 1.00 . A A . 18 HIS CE1 1 1 18 6734 1 1 18 HIS CG C 8.416 6.903 0.093 1.00 . A A . 18 HIS CG 1 1 18 6735 1 1 18 HIS H H 7.574 3.069 -0.846 1.00 . A A . 18 HIS H 1 1 18 6736 1 1 18 HIS HA H 8.955 5.276 -2.037 1.00 . A A . 18 HIS HA 1 1 18 6737 1 1 18 HIS HB2 H 6.904 5.603 -0.640 1.00 . A A . 18 HIS HB2 1 1 18 6738 1 1 18 HIS HB3 H 7.790 4.976 0.786 1.00 . A A . 18 HIS HB3 1 1 18 6739 1 1 18 HIS HD1 H 7.727 7.979 -1.606 1.00 . A A . 18 HIS HD1 1 1 18 6740 1 1 18 HIS HD2 H 9.588 6.802 1.956 1.00 . A A . 18 HIS HD2 1 1 18 6741 1 1 18 HIS HE1 H 8.932 10.014 -0.638 1.00 . A A . 18 HIS HE1 1 1 18 6742 1 1 18 HIS N N 8.289 3.413 -1.448 1.00 . A A . 18 HIS N 1 1 18 6743 1 1 18 HIS ND1 N 8.238 7.983 -0.746 1.00 . A A . 18 HIS ND1 1 1 18 6744 1 1 18 HIS NE2 N 9.496 8.691 0.945 1.00 . A A . 18 HIS NE2 1 1 18 6745 1 1 18 HIS O O 11.163 5.138 -0.911 1.00 . A A . 18 HIS O 1 1 18 6746 1 1 19 GLY C C 12.329 2.509 0.927 1.00 . A A . 19 GLY C 1 1 18 6747 1 1 19 GLY CA C 11.415 3.587 1.424 1.00 . A A . 19 GLY CA 1 1 18 6748 1 1 19 GLY H H 9.438 3.215 0.910 1.00 . A A . 19 GLY H 1 1 18 6749 1 1 19 GLY HA2 H 11.952 4.525 1.433 1.00 . A A . 19 GLY HA2 1 1 18 6750 1 1 19 GLY HA3 H 11.065 3.297 2.404 1.00 . A A . 19 GLY HA3 1 1 18 6751 1 1 19 GLY N N 10.239 3.721 0.599 1.00 . A A . 19 GLY N 1 1 18 6752 1 1 19 GLY O O 13.549 2.661 0.975 1.00 . A A . 19 GLY O 1 1 18 6753 1 1 20 GLU C C 12.812 0.112 -1.278 1.00 . A A . 20 GLU C 1 1 18 6754 1 1 20 GLU CA C 12.500 0.167 0.188 1.00 . A A . 20 GLU CA 1 1 18 6755 1 1 20 GLU CB C 11.716 -1.111 0.576 1.00 . A A . 20 GLU CB 1 1 18 6756 1 1 20 GLU CD C 10.459 -2.361 2.355 1.00 . A A . 20 GLU CD 1 1 18 6757 1 1 20 GLU CG C 11.232 -1.083 2.039 1.00 . A A . 20 GLU CG 1 1 18 6758 1 1 20 GLU H H 10.769 1.290 0.352 1.00 . A A . 20 GLU H 1 1 18 6759 1 1 20 GLU HA H 13.427 0.182 0.744 1.00 . A A . 20 GLU HA 1 1 18 6760 1 1 20 GLU HB2 H 10.831 -1.225 -0.087 1.00 . A A . 20 GLU HB2 1 1 18 6761 1 1 20 GLU HB3 H 12.373 -1.996 0.425 1.00 . A A . 20 GLU HB3 1 1 18 6762 1 1 20 GLU HG2 H 12.100 -0.994 2.726 1.00 . A A . 20 GLU HG2 1 1 18 6763 1 1 20 GLU HG3 H 10.566 -0.208 2.198 1.00 . A A . 20 GLU HG3 1 1 18 6764 1 1 20 GLU N N 11.757 1.372 0.468 1.00 . A A . 20 GLU N 1 1 18 6765 1 1 20 GLU O O 13.925 -0.246 -1.662 1.00 . A A . 20 GLU O 1 1 18 6766 1 1 20 GLU OE1 O 11.102 -3.442 2.416 1.00 . A A . 20 GLU OE1 1 1 18 6767 1 1 20 GLU OE2 O 9.216 -2.271 2.543 1.00 . A A . 20 GLU OE2 1 1 18 6768 1 1 21 HIS C C 11.796 -0.854 -4.177 1.00 . A A . 21 HIS C 1 1 18 6769 1 1 21 HIS CA C 11.844 0.516 -3.554 1.00 . A A . 21 HIS CA 1 1 18 6770 1 1 21 HIS CB C 12.958 1.415 -4.131 1.00 . A A . 21 HIS CB 1 1 18 6771 1 1 21 HIS CD2 C 11.720 2.287 -6.244 1.00 . A A . 21 HIS CD2 1 1 18 6772 1 1 21 HIS CE1 C 13.253 2.042 -7.715 1.00 . A A . 21 HIS CE1 1 1 18 6773 1 1 21 HIS CG C 12.788 1.755 -5.588 1.00 . A A . 21 HIS CG 1 1 18 6774 1 1 21 HIS H H 10.955 0.821 -1.741 1.00 . A A . 21 HIS H 1 1 18 6775 1 1 21 HIS HA H 10.914 0.993 -3.816 1.00 . A A . 21 HIS HA 1 1 18 6776 1 1 21 HIS HB2 H 12.937 2.363 -3.549 1.00 . A A . 21 HIS HB2 1 1 18 6777 1 1 21 HIS HB3 H 13.946 0.936 -3.965 1.00 . A A . 21 HIS HB3 1 1 18 6778 1 1 21 HIS HD1 H 14.693 1.242 -6.381 1.00 . A A . 21 HIS HD1 1 1 18 6779 1 1 21 HIS HD2 H 10.746 2.573 -5.867 1.00 . A A . 21 HIS HD2 1 1 18 6780 1 1 21 HIS HE1 H 13.815 2.034 -8.646 1.00 . A A . 21 HIS HE1 1 1 18 6781 1 1 21 HIS N N 11.809 0.479 -2.114 1.00 . A A . 21 HIS N 1 1 18 6782 1 1 21 HIS ND1 N 13.773 1.604 -6.540 1.00 . A A . 21 HIS ND1 1 1 18 6783 1 1 21 HIS NE2 N 12.010 2.465 -7.585 1.00 . A A . 21 HIS NE2 1 1 18 6784 1 1 21 HIS O O 12.339 -1.822 -3.648 1.00 . A A . 21 HIS O 1 1 18 6785 1 1 22 ILE C C 9.891 -3.027 -5.137 1.00 . A A . 22 ILE C 1 1 18 6786 1 1 22 ILE CA C 10.728 -2.154 -6.043 1.00 . A A . 22 ILE CA 1 1 18 6787 1 1 22 ILE CB C 11.894 -2.901 -6.695 1.00 . A A . 22 ILE CB 1 1 18 6788 1 1 22 ILE CD1 C 12.246 -1.149 -8.596 1.00 . A A . 22 ILE CD1 1 1 18 6789 1 1 22 ILE CG1 C 12.866 -1.946 -7.441 1.00 . A A . 22 ILE CG1 1 1 18 6790 1 1 22 ILE CG2 C 11.342 -3.989 -7.646 1.00 . A A . 22 ILE CG2 1 1 18 6791 1 1 22 ILE H H 10.689 -0.121 -5.733 1.00 . A A . 22 ILE H 1 1 18 6792 1 1 22 ILE HA H 10.079 -1.820 -6.839 1.00 . A A . 22 ILE HA 1 1 18 6793 1 1 22 ILE HB H 12.494 -3.405 -5.902 1.00 . A A . 22 ILE HB 1 1 18 6794 1 1 22 ILE HD11 H 11.432 -0.488 -8.232 1.00 . A A . 22 ILE HD11 1 1 18 6795 1 1 22 ILE HD12 H 11.835 -1.828 -9.373 1.00 . A A . 22 ILE HD12 1 1 18 6796 1 1 22 ILE HD13 H 13.021 -0.510 -9.072 1.00 . A A . 22 ILE HD13 1 1 18 6797 1 1 22 ILE HG12 H 13.310 -1.236 -6.710 1.00 . A A . 22 ILE HG12 1 1 18 6798 1 1 22 ILE HG13 H 13.700 -2.561 -7.852 1.00 . A A . 22 ILE HG13 1 1 18 6799 1 1 22 ILE HG21 H 12.179 -4.495 -8.170 1.00 . A A . 22 ILE HG21 1 1 18 6800 1 1 22 ILE HG22 H 10.670 -3.535 -8.403 1.00 . A A . 22 ILE HG22 1 1 18 6801 1 1 22 ILE HG23 H 10.770 -4.758 -7.088 1.00 . A A . 22 ILE HG23 1 1 18 6802 1 1 22 ILE N N 11.077 -0.944 -5.327 1.00 . A A . 22 ILE N 1 1 18 6803 1 1 22 ILE O O 10.326 -4.084 -4.680 1.00 . A A . 22 ILE O 1 1 18 6804 1 1 23 HIS C C 8.368 -3.144 -2.500 1.00 . A A . 23 HIS C 1 1 18 6805 1 1 23 HIS CA C 7.736 -3.108 -3.875 1.00 . A A . 23 HIS CA 1 1 18 6806 1 1 23 HIS CB C 7.146 -4.476 -4.332 1.00 . A A . 23 HIS CB 1 1 18 6807 1 1 23 HIS CD2 C 5.820 -6.062 -2.723 1.00 . A A . 23 HIS CD2 1 1 18 6808 1 1 23 HIS CE1 C 3.986 -4.971 -2.568 1.00 . A A . 23 HIS CE1 1 1 18 6809 1 1 23 HIS CG C 5.970 -4.961 -3.512 1.00 . A A . 23 HIS CG 1 1 18 6810 1 1 23 HIS H H 8.356 -1.675 -5.228 1.00 . A A . 23 HIS H 1 1 18 6811 1 1 23 HIS HA H 6.919 -2.403 -3.826 1.00 . A A . 23 HIS HA 1 1 18 6812 1 1 23 HIS HB2 H 6.787 -4.358 -5.378 1.00 . A A . 23 HIS HB2 1 1 18 6813 1 1 23 HIS HB3 H 7.950 -5.244 -4.342 1.00 . A A . 23 HIS HB3 1 1 18 6814 1 1 23 HIS HD1 H 4.570 -3.399 -3.860 1.00 . A A . 23 HIS HD1 1 1 18 6815 1 1 23 HIS HD2 H 6.505 -6.871 -2.504 1.00 . A A . 23 HIS HD2 1 1 18 6816 1 1 23 HIS HE1 H 2.983 -4.645 -2.298 1.00 . A A . 23 HIS HE1 1 1 18 6817 1 1 23 HIS N N 8.664 -2.533 -4.824 1.00 . A A . 23 HIS N 1 1 18 6818 1 1 23 HIS ND1 N 4.784 -4.265 -3.406 1.00 . A A . 23 HIS ND1 1 1 18 6819 1 1 23 HIS NE2 N 4.570 -6.067 -2.126 1.00 . A A . 23 HIS NE2 1 1 18 6820 1 1 23 HIS O O 8.989 -2.168 -2.078 1.00 . A A . 23 HIS O 1 1 18 6821 1 1 24 HIS C C 10.196 -5.228 -0.851 1.00 . A A . 24 HIS C 1 1 18 6822 1 1 24 HIS CA C 8.869 -4.518 -0.517 1.00 . A A . 24 HIS CA 1 1 18 6823 1 1 24 HIS CB C 7.998 -5.421 0.392 1.00 . A A . 24 HIS CB 1 1 18 6824 1 1 24 HIS CD2 C 8.076 -5.131 2.967 1.00 . A A . 24 HIS CD2 1 1 18 6825 1 1 24 HIS CE1 C 9.783 -6.324 3.449 1.00 . A A . 24 HIS CE1 1 1 18 6826 1 1 24 HIS CG C 8.533 -5.626 1.785 1.00 . A A . 24 HIS CG 1 1 18 6827 1 1 24 HIS H H 7.709 -5.049 -2.141 1.00 . A A . 24 HIS H 1 1 18 6828 1 1 24 HIS HA H 9.048 -3.574 -0.019 1.00 . A A . 24 HIS HA 1 1 18 6829 1 1 24 HIS HB2 H 6.999 -4.941 0.493 1.00 . A A . 24 HIS HB2 1 1 18 6830 1 1 24 HIS HB3 H 7.840 -6.410 -0.091 1.00 . A A . 24 HIS HB3 1 1 18 6831 1 1 24 HIS HD1 H 10.201 -6.903 1.454 1.00 . A A . 24 HIS HD1 1 1 18 6832 1 1 24 HIS HD2 H 7.232 -4.484 3.163 1.00 . A A . 24 HIS HD2 1 1 18 6833 1 1 24 HIS HE1 H 10.583 -6.840 3.980 1.00 . A A . 24 HIS HE1 1 1 18 6834 1 1 24 HIS N N 8.235 -4.281 -1.785 1.00 . A A . 24 HIS N 1 1 18 6835 1 1 24 HIS ND1 N 9.632 -6.396 2.103 1.00 . A A . 24 HIS ND1 1 1 18 6836 1 1 24 HIS NE2 N 8.864 -5.569 4.017 1.00 . A A . 24 HIS NE2 1 1 18 6837 1 1 24 HIS O O 10.191 -6.363 -1.343 1.00 . A A . 24 HIS O 1 1 18 6838 1 1 25 NH2 HN1 H 12.231 -4.936 -0.799 1.00 . A A . 25 NH2 HN1 1 1 18 6839 1 1 25 NH2 HN2 H 11.289 -3.611 -0.199 1.00 . A A . 25 NH2 HN2 1 1 18 6840 1 1 25 NH2 N N 11.341 -4.530 -0.590 1.00 . A A . 25 NH2 N 1 1 19 6841 1 1 1 ACE C C -12.355 3.439 -1.701 1.00 . A A . 1 ACE C 1 1 19 6842 1 1 1 ACE CH3 C -12.650 2.722 -2.985 1.00 . A A . 1 ACE CH3 1 1 19 6843 1 1 1 ACE H1 H -11.778 2.119 -3.313 1.00 . A A . 1 ACE H1 1 1 19 6844 1 1 1 ACE H2 H -13.529 2.053 -2.866 1.00 . A A . 1 ACE H2 1 1 19 6845 1 1 1 ACE H3 H -12.881 3.459 -3.786 1.00 . A A . 1 ACE H3 1 1 19 6846 1 1 1 ACE O O -12.455 4.663 -1.646 1.00 . A A . 1 ACE O 1 1 19 6847 1 1 2 PHE C C -13.110 0.626 -0.369 1.00 . A A . 2 PHE C 1 1 19 6848 1 1 2 PHE CA C -11.772 1.288 -0.558 1.00 . A A . 2 PHE CA 1 1 19 6849 1 1 2 PHE CB C -10.819 0.895 0.605 1.00 . A A . 2 PHE CB 1 1 19 6850 1 1 2 PHE CD1 C -9.345 -1.021 -0.143 1.00 . A A . 2 PHE CD1 1 1 19 6851 1 1 2 PHE CD2 C -11.201 -1.504 1.331 1.00 . A A . 2 PHE CD2 1 1 19 6852 1 1 2 PHE CE1 C -9.009 -2.380 -0.170 1.00 . A A . 2 PHE CE1 1 1 19 6853 1 1 2 PHE CE2 C -10.871 -2.865 1.304 1.00 . A A . 2 PHE CE2 1 1 19 6854 1 1 2 PHE CG C -10.447 -0.568 0.600 1.00 . A A . 2 PHE CG 1 1 19 6855 1 1 2 PHE CZ C -9.775 -3.303 0.552 1.00 . A A . 2 PHE CZ 1 1 19 6856 1 1 2 PHE H H -11.809 3.182 0.251 1.00 . A A . 2 PHE H 1 1 19 6857 1 1 2 PHE HA H -11.332 0.966 -1.492 1.00 . A A . 2 PHE HA 1 1 19 6858 1 1 2 PHE HB2 H -9.878 1.477 0.501 1.00 . A A . 2 PHE HB2 1 1 19 6859 1 1 2 PHE HB3 H -11.272 1.148 1.588 1.00 . A A . 2 PHE HB3 1 1 19 6860 1 1 2 PHE HD1 H -8.757 -0.312 -0.707 1.00 . A A . 2 PHE HD1 1 1 19 6861 1 1 2 PHE HD2 H -12.052 -1.173 1.910 1.00 . A A . 2 PHE HD2 1 1 19 6862 1 1 2 PHE HE1 H -8.162 -2.719 -0.747 1.00 . A A . 2 PHE HE1 1 1 19 6863 1 1 2 PHE HE2 H -11.463 -3.575 1.862 1.00 . A A . 2 PHE HE2 1 1 19 6864 1 1 2 PHE HZ H -9.520 -4.352 0.530 1.00 . A A . 2 PHE HZ 1 1 19 6865 1 1 2 PHE N N -11.984 2.716 -0.613 1.00 . A A . 2 PHE N 1 1 19 6866 1 1 2 PHE O O -13.902 1.027 0.483 1.00 . A A . 2 PHE O 1 1 19 6867 1 1 3 GLU C C -14.107 -2.539 -1.657 1.00 . A A . 3 GLU C 1 1 19 6868 1 1 3 GLU CA C -14.542 -1.233 -1.067 1.00 . A A . 3 GLU CA 1 1 19 6869 1 1 3 GLU CB C -15.774 -0.639 -1.803 1.00 . A A . 3 GLU CB 1 1 19 6870 1 1 3 GLU CD C -18.247 -0.835 -2.361 1.00 . A A . 3 GLU CD 1 1 19 6871 1 1 3 GLU CG C -17.053 -1.489 -1.659 1.00 . A A . 3 GLU CG 1 1 19 6872 1 1 3 GLU H H -12.714 -0.706 -1.879 1.00 . A A . 3 GLU H 1 1 19 6873 1 1 3 GLU HA H -14.766 -1.387 -0.020 1.00 . A A . 3 GLU HA 1 1 19 6874 1 1 3 GLU HB2 H -15.973 0.362 -1.360 1.00 . A A . 3 GLU HB2 1 1 19 6875 1 1 3 GLU HB3 H -15.538 -0.480 -2.877 1.00 . A A . 3 GLU HB3 1 1 19 6876 1 1 3 GLU HG2 H -16.889 -2.496 -2.098 1.00 . A A . 3 GLU HG2 1 1 19 6877 1 1 3 GLU HG3 H -17.290 -1.610 -0.580 1.00 . A A . 3 GLU HG3 1 1 19 6878 1 1 3 GLU N N -13.367 -0.419 -1.181 1.00 . A A . 3 GLU N 1 1 19 6879 1 1 3 GLU O O -13.711 -3.451 -0.934 1.00 . A A . 3 GLU O 1 1 19 6880 1 1 3 GLU OE1 O -18.081 0.258 -2.964 1.00 . A A . 3 GLU OE1 1 1 19 6881 1 1 3 GLU OE2 O -19.354 -1.437 -2.298 1.00 . A A . 3 GLU OE2 1 1 19 6882 1 1 4 ASP C C -12.303 -3.405 -4.287 1.00 . A A . 4 ASP C 1 1 19 6883 1 1 4 ASP CA C -13.667 -3.762 -3.766 1.00 . A A . 4 ASP CA 1 1 19 6884 1 1 4 ASP CB C -14.626 -4.109 -4.941 1.00 . A A . 4 ASP CB 1 1 19 6885 1 1 4 ASP CG C -14.234 -5.420 -5.632 1.00 . A A . 4 ASP CG 1 1 19 6886 1 1 4 ASP H H -14.489 -1.869 -3.546 1.00 . A A . 4 ASP H 1 1 19 6887 1 1 4 ASP HA H -13.560 -4.601 -3.107 1.00 . A A . 4 ASP HA 1 1 19 6888 1 1 4 ASP HB2 H -15.656 -4.230 -4.540 1.00 . A A . 4 ASP HB2 1 1 19 6889 1 1 4 ASP HB3 H -14.643 -3.286 -5.685 1.00 . A A . 4 ASP HB3 1 1 19 6890 1 1 4 ASP N N -14.142 -2.631 -3.006 1.00 . A A . 4 ASP N 1 1 19 6891 1 1 4 ASP O O -11.410 -4.246 -4.368 1.00 . A A . 4 ASP O 1 1 19 6892 1 1 4 ASP OD1 O -14.251 -6.478 -4.947 1.00 . A A . 4 ASP OD1 1 1 19 6893 1 1 4 ASP OD2 O -13.914 -5.375 -6.850 1.00 . A A . 4 ASP OD2 1 1 19 6894 1 1 5 LEU C C -9.915 -1.327 -4.215 1.00 . A A . 5 LEU C 1 1 19 6895 1 1 5 LEU CA C -10.964 -1.571 -5.273 1.00 . A A . 5 LEU CA 1 1 19 6896 1 1 5 LEU CB C -11.193 -0.195 -5.956 1.00 . A A . 5 LEU CB 1 1 19 6897 1 1 5 LEU CD1 C -13.630 -0.280 -6.840 1.00 . A A . 5 LEU CD1 1 1 19 6898 1 1 5 LEU CD2 C -11.861 1.039 -8.068 1.00 . A A . 5 LEU CD2 1 1 19 6899 1 1 5 LEU CG C -12.129 -0.199 -7.191 1.00 . A A . 5 LEU CG 1 1 19 6900 1 1 5 LEU H H -12.899 -1.493 -4.498 1.00 . A A . 5 LEU H 1 1 19 6901 1 1 5 LEU HA H -10.628 -2.274 -6.022 1.00 . A A . 5 LEU HA 1 1 19 6902 1 1 5 LEU HB2 H -11.580 0.537 -5.212 1.00 . A A . 5 LEU HB2 1 1 19 6903 1 1 5 LEU HB3 H -10.201 0.179 -6.305 1.00 . A A . 5 LEU HB3 1 1 19 6904 1 1 5 LEU HD11 H -13.915 0.560 -6.173 1.00 . A A . 5 LEU HD11 1 1 19 6905 1 1 5 LEU HD12 H -13.875 -1.235 -6.336 1.00 . A A . 5 LEU HD12 1 1 19 6906 1 1 5 LEU HD13 H -14.240 -0.217 -7.766 1.00 . A A . 5 LEU HD13 1 1 19 6907 1 1 5 LEU HD21 H -12.495 1.010 -8.980 1.00 . A A . 5 LEU HD21 1 1 19 6908 1 1 5 LEU HD22 H -10.796 1.069 -8.380 1.00 . A A . 5 LEU HD22 1 1 19 6909 1 1 5 LEU HD23 H -12.092 1.968 -7.505 1.00 . A A . 5 LEU HD23 1 1 19 6910 1 1 5 LEU HG H -11.873 -1.094 -7.804 1.00 . A A . 5 LEU HG 1 1 19 6911 1 1 5 LEU N N -12.139 -2.116 -4.643 1.00 . A A . 5 LEU N 1 1 19 6912 1 1 5 LEU O O -10.258 -0.756 -3.180 1.00 . A A . 5 LEU O 1 1 19 6913 1 1 6 PRO C C -7.280 0.249 -3.843 1.00 . A A . 6 PRO C 1 1 19 6914 1 1 6 PRO CA C -7.540 -1.220 -3.598 1.00 . A A . 6 PRO CA 1 1 19 6915 1 1 6 PRO CB C -6.342 -2.092 -4.020 1.00 . A A . 6 PRO CB 1 1 19 6916 1 1 6 PRO CD C -8.246 -2.818 -5.255 1.00 . A A . 6 PRO CD 1 1 19 6917 1 1 6 PRO CG C -6.988 -3.362 -4.578 1.00 . A A . 6 PRO CG 1 1 19 6918 1 1 6 PRO HA H -7.776 -1.369 -2.556 1.00 . A A . 6 PRO HA 1 1 19 6919 1 1 6 PRO HB2 H -5.750 -1.631 -4.839 1.00 . A A . 6 PRO HB2 1 1 19 6920 1 1 6 PRO HB3 H -5.671 -2.306 -3.163 1.00 . A A . 6 PRO HB3 1 1 19 6921 1 1 6 PRO HD2 H -8.014 -2.431 -6.271 1.00 . A A . 6 PRO HD2 1 1 19 6922 1 1 6 PRO HD3 H -9.033 -3.600 -5.308 1.00 . A A . 6 PRO HD3 1 1 19 6923 1 1 6 PRO HG2 H -6.325 -3.905 -5.280 1.00 . A A . 6 PRO HG2 1 1 19 6924 1 1 6 PRO HG3 H -7.279 -4.031 -3.740 1.00 . A A . 6 PRO HG3 1 1 19 6925 1 1 6 PRO N N -8.648 -1.692 -4.414 1.00 . A A . 6 PRO N 1 1 19 6926 1 1 6 PRO O O -6.595 0.591 -4.806 1.00 . A A . 6 PRO O 1 1 19 6927 1 1 7 ASN C C -6.742 2.849 -1.836 1.00 . A A . 7 ASN C 1 1 19 6928 1 1 7 ASN CA C -7.614 2.549 -3.014 1.00 . A A . 7 ASN CA 1 1 19 6929 1 1 7 ASN CB C -8.948 3.340 -2.960 1.00 . A A . 7 ASN CB 1 1 19 6930 1 1 7 ASN CG C -8.719 4.846 -3.165 1.00 . A A . 7 ASN CG 1 1 19 6931 1 1 7 ASN H H -8.434 0.816 -2.249 1.00 . A A . 7 ASN H 1 1 19 6932 1 1 7 ASN HA H -7.071 2.803 -3.896 1.00 . A A . 7 ASN HA 1 1 19 6933 1 1 7 ASN HB2 H -9.597 2.983 -3.791 1.00 . A A . 7 ASN HB2 1 1 19 6934 1 1 7 ASN HB3 H -9.484 3.146 -2.010 1.00 . A A . 7 ASN HB3 1 1 19 6935 1 1 7 ASN HD21 H -9.551 5.274 -1.334 1.00 . A A . 7 ASN HD21 1 1 19 6936 1 1 7 ASN HD22 H -9.006 6.652 -2.228 1.00 . A A . 7 ASN HD22 1 1 19 6937 1 1 7 ASN N N -7.832 1.128 -2.978 1.00 . A A . 7 ASN N 1 1 19 6938 1 1 7 ASN ND2 N -9.128 5.664 -2.151 1.00 . A A . 7 ASN ND2 1 1 19 6939 1 1 7 ASN O O -5.613 3.315 -1.971 1.00 . A A . 7 ASN O 1 1 19 6940 1 1 7 ASN OD1 O -8.190 5.262 -4.203 1.00 . A A . 7 ASN OD1 1 1 19 6941 1 1 8 PHE C C -5.981 1.307 0.969 1.00 . A A . 8 PHE C 1 1 19 6942 1 1 8 PHE CA C -6.614 2.635 0.628 1.00 . A A . 8 PHE CA 1 1 19 6943 1 1 8 PHE CB C -7.569 3.021 1.783 1.00 . A A . 8 PHE CB 1 1 19 6944 1 1 8 PHE CD1 C -7.407 5.515 1.361 1.00 . A A . 8 PHE CD1 1 1 19 6945 1 1 8 PHE CD2 C -9.601 4.496 1.454 1.00 . A A . 8 PHE CD2 1 1 19 6946 1 1 8 PHE CE1 C -7.996 6.764 1.126 1.00 . A A . 8 PHE CE1 1 1 19 6947 1 1 8 PHE CE2 C -10.193 5.742 1.218 1.00 . A A . 8 PHE CE2 1 1 19 6948 1 1 8 PHE CG C -8.203 4.365 1.522 1.00 . A A . 8 PHE CG 1 1 19 6949 1 1 8 PHE CZ C -9.390 6.877 1.055 1.00 . A A . 8 PHE CZ 1 1 19 6950 1 1 8 PHE H H -8.202 2.153 -0.659 1.00 . A A . 8 PHE H 1 1 19 6951 1 1 8 PHE HA H -5.824 3.369 0.547 1.00 . A A . 8 PHE HA 1 1 19 6952 1 1 8 PHE HB2 H -8.367 2.256 1.893 1.00 . A A . 8 PHE HB2 1 1 19 6953 1 1 8 PHE HB3 H -7.014 3.101 2.742 1.00 . A A . 8 PHE HB3 1 1 19 6954 1 1 8 PHE HD1 H -6.331 5.442 1.422 1.00 . A A . 8 PHE HD1 1 1 19 6955 1 1 8 PHE HD2 H -10.229 3.629 1.589 1.00 . A A . 8 PHE HD2 1 1 19 6956 1 1 8 PHE HE1 H -7.376 7.638 1.002 1.00 . A A . 8 PHE HE1 1 1 19 6957 1 1 8 PHE HE2 H -11.268 5.828 1.164 1.00 . A A . 8 PHE HE2 1 1 19 6958 1 1 8 PHE HZ H -9.845 7.840 0.873 1.00 . A A . 8 PHE HZ 1 1 19 6959 1 1 8 PHE N N -7.283 2.528 -0.649 1.00 . A A . 8 PHE N 1 1 19 6960 1 1 8 PHE O O -5.398 1.146 2.040 1.00 . A A . 8 PHE O 1 1 19 6961 1 1 9 GLY C C -4.026 -0.709 -0.626 1.00 . A A . 9 GLY C 1 1 19 6962 1 1 9 GLY CA C -5.325 -0.906 0.097 1.00 . A A . 9 GLY CA 1 1 19 6963 1 1 9 GLY H H -6.587 0.474 -0.797 1.00 . A A . 9 GLY H 1 1 19 6964 1 1 9 GLY HA2 H -5.127 -1.170 1.127 1.00 . A A . 9 GLY HA2 1 1 19 6965 1 1 9 GLY HA3 H -5.906 -1.645 -0.436 1.00 . A A . 9 GLY HA3 1 1 19 6966 1 1 9 GLY N N -6.060 0.331 0.037 1.00 . A A . 9 GLY N 1 1 19 6967 1 1 9 GLY O O -3.003 -1.279 -0.251 1.00 . A A . 9 GLY O 1 1 19 6968 1 1 10 HIS C C -2.137 1.581 -2.039 1.00 . A A . 10 HIS C 1 1 19 6969 1 1 10 HIS CA C -2.920 0.393 -2.544 1.00 . A A . 10 HIS CA 1 1 19 6970 1 1 10 HIS CB C -3.362 0.661 -4.002 1.00 . A A . 10 HIS CB 1 1 19 6971 1 1 10 HIS CD2 C -1.865 1.720 -5.842 1.00 . A A . 10 HIS CD2 1 1 19 6972 1 1 10 HIS CE1 C -0.462 0.136 -6.154 1.00 . A A . 10 HIS CE1 1 1 19 6973 1 1 10 HIS CG C -2.235 0.720 -4.998 1.00 . A A . 10 HIS CG 1 1 19 6974 1 1 10 HIS H H -4.896 0.584 -1.962 1.00 . A A . 10 HIS H 1 1 19 6975 1 1 10 HIS HA H -2.274 -0.474 -2.536 1.00 . A A . 10 HIS HA 1 1 19 6976 1 1 10 HIS HB2 H -4.030 -0.168 -4.321 1.00 . A A . 10 HIS HB2 1 1 19 6977 1 1 10 HIS HB3 H -3.951 1.603 -4.053 1.00 . A A . 10 HIS HB3 1 1 19 6978 1 1 10 HIS HD1 H -1.320 -1.181 -4.733 1.00 . A A . 10 HIS HD1 1 1 19 6979 1 1 10 HIS HD2 H -2.317 2.692 -5.996 1.00 . A A . 10 HIS HD2 1 1 19 6980 1 1 10 HIS HE1 H 0.369 -0.470 -6.512 1.00 . A A . 10 HIS HE1 1 1 19 6981 1 1 10 HIS N N -4.053 0.123 -1.696 1.00 . A A . 10 HIS N 1 1 19 6982 1 1 10 HIS ND1 N -1.329 -0.298 -5.205 1.00 . A A . 10 HIS ND1 1 1 19 6983 1 1 10 HIS NE2 N -0.747 1.354 -6.571 1.00 . A A . 10 HIS NE2 1 1 19 6984 1 1 10 HIS O O -1.081 1.897 -2.584 1.00 . A A . 10 HIS O 1 1 19 6985 1 1 11 ILE C C -0.793 2.926 0.487 1.00 . A A . 11 ILE C 1 1 19 6986 1 1 11 ILE CA C -1.946 3.402 -0.372 1.00 . A A . 11 ILE CA 1 1 19 6987 1 1 11 ILE CB C -2.908 4.300 0.414 1.00 . A A . 11 ILE CB 1 1 19 6988 1 1 11 ILE CD1 C -2.482 6.511 -0.842 1.00 . A A . 11 ILE CD1 1 1 19 6989 1 1 11 ILE CG1 C -2.424 5.769 0.496 1.00 . A A . 11 ILE CG1 1 1 19 6990 1 1 11 ILE CG2 C -3.218 3.726 1.815 1.00 . A A . 11 ILE CG2 1 1 19 6991 1 1 11 ILE H H -3.469 1.990 -0.522 1.00 . A A . 11 ILE H 1 1 19 6992 1 1 11 ILE HA H -1.535 3.975 -1.189 1.00 . A A . 11 ILE HA 1 1 19 6993 1 1 11 ILE HB H -3.871 4.319 -0.149 1.00 . A A . 11 ILE HB 1 1 19 6994 1 1 11 ILE HD11 H -3.510 6.461 -1.261 1.00 . A A . 11 ILE HD11 1 1 19 6995 1 1 11 ILE HD12 H -1.777 6.069 -1.576 1.00 . A A . 11 ILE HD12 1 1 19 6996 1 1 11 ILE HD13 H -2.210 7.580 -0.699 1.00 . A A . 11 ILE HD13 1 1 19 6997 1 1 11 ILE HG12 H -3.084 6.307 1.213 1.00 . A A . 11 ILE HG12 1 1 19 6998 1 1 11 ILE HG13 H -1.390 5.801 0.900 1.00 . A A . 11 ILE HG13 1 1 19 6999 1 1 11 ILE HG21 H -3.476 2.651 1.744 1.00 . A A . 11 ILE HG21 1 1 19 7000 1 1 11 ILE HG22 H -4.075 4.268 2.266 1.00 . A A . 11 ILE HG22 1 1 19 7001 1 1 11 ILE HG23 H -2.344 3.837 2.491 1.00 . A A . 11 ILE HG23 1 1 19 7002 1 1 11 ILE N N -2.616 2.259 -0.963 1.00 . A A . 11 ILE N 1 1 19 7003 1 1 11 ILE O O 0.162 3.660 0.732 1.00 . A A . 11 ILE O 1 1 19 7004 1 1 12 GLN C C 1.322 0.646 0.825 1.00 . A A . 12 GLN C 1 1 19 7005 1 1 12 GLN CA C 0.143 0.960 1.709 1.00 . A A . 12 GLN CA 1 1 19 7006 1 1 12 GLN CB C -0.452 -0.349 2.295 1.00 . A A . 12 GLN CB 1 1 19 7007 1 1 12 GLN CD C 1.565 -1.898 2.740 1.00 . A A . 12 GLN CD 1 1 19 7008 1 1 12 GLN CG C 0.400 -1.097 3.346 1.00 . A A . 12 GLN CG 1 1 19 7009 1 1 12 GLN H H -1.651 1.083 0.702 1.00 . A A . 12 GLN H 1 1 19 7010 1 1 12 GLN HA H 0.460 1.616 2.509 1.00 . A A . 12 GLN HA 1 1 19 7011 1 1 12 GLN HB2 H -1.394 -0.057 2.816 1.00 . A A . 12 GLN HB2 1 1 19 7012 1 1 12 GLN HB3 H -0.748 -1.034 1.473 1.00 . A A . 12 GLN HB3 1 1 19 7013 1 1 12 GLN HE21 H 0.282 -2.933 1.508 1.00 . A A . 12 GLN HE21 1 1 19 7014 1 1 12 GLN HE22 H 1.953 -3.370 1.357 1.00 . A A . 12 GLN HE22 1 1 19 7015 1 1 12 GLN HG2 H 0.803 -0.369 4.082 1.00 . A A . 12 GLN HG2 1 1 19 7016 1 1 12 GLN HG3 H -0.257 -1.810 3.892 1.00 . A A . 12 GLN HG3 1 1 19 7017 1 1 12 GLN N N -0.859 1.643 0.929 1.00 . A A . 12 GLN N 1 1 19 7018 1 1 12 GLN NE2 N 1.236 -2.817 1.782 1.00 . A A . 12 GLN NE2 1 1 19 7019 1 1 12 GLN O O 2.467 0.681 1.267 1.00 . A A . 12 GLN O 1 1 19 7020 1 1 12 GLN OE1 O 2.724 -1.707 3.127 1.00 . A A . 12 GLN OE1 1 1 19 7021 1 1 13 VAL C C 2.881 1.121 -1.873 1.00 . A A . 13 VAL C 1 1 19 7022 1 1 13 VAL CA C 2.010 -0.048 -1.467 1.00 . A A . 13 VAL CA 1 1 19 7023 1 1 13 VAL CB C 1.323 -0.674 -2.680 1.00 . A A . 13 VAL CB 1 1 19 7024 1 1 13 VAL CG1 C 2.347 -1.216 -3.701 1.00 . A A . 13 VAL CG1 1 1 19 7025 1 1 13 VAL CG2 C 0.399 -1.812 -2.191 1.00 . A A . 13 VAL CG2 1 1 19 7026 1 1 13 VAL H H 0.104 0.389 -0.798 1.00 . A A . 13 VAL H 1 1 19 7027 1 1 13 VAL HA H 2.648 -0.777 -1.003 1.00 . A A . 13 VAL HA 1 1 19 7028 1 1 13 VAL HB H 0.692 0.088 -3.188 1.00 . A A . 13 VAL HB 1 1 19 7029 1 1 13 VAL HG11 H 1.819 -1.765 -4.510 1.00 . A A . 13 VAL HG11 1 1 19 7030 1 1 13 VAL HG12 H 3.057 -1.911 -3.207 1.00 . A A . 13 VAL HG12 1 1 19 7031 1 1 13 VAL HG13 H 2.918 -0.389 -4.170 1.00 . A A . 13 VAL HG13 1 1 19 7032 1 1 13 VAL HG21 H -0.063 -2.323 -3.064 1.00 . A A . 13 VAL HG21 1 1 19 7033 1 1 13 VAL HG22 H -0.422 -1.429 -1.552 1.00 . A A . 13 VAL HG22 1 1 19 7034 1 1 13 VAL HG23 H 0.981 -2.561 -1.616 1.00 . A A . 13 VAL HG23 1 1 19 7035 1 1 13 VAL N N 1.046 0.359 -0.471 1.00 . A A . 13 VAL N 1 1 19 7036 1 1 13 VAL O O 4.011 0.942 -2.321 1.00 . A A . 13 VAL O 1 1 19 7037 1 1 14 LYS C C 4.215 3.776 -0.931 1.00 . A A . 14 LYS C 1 1 19 7038 1 1 14 LYS CA C 3.111 3.584 -1.939 1.00 . A A . 14 LYS CA 1 1 19 7039 1 1 14 LYS CB C 2.218 4.848 -1.878 1.00 . A A . 14 LYS CB 1 1 19 7040 1 1 14 LYS CD C 1.325 4.679 -4.299 1.00 . A A . 14 LYS CD 1 1 19 7041 1 1 14 LYS CE C 0.074 4.771 -5.181 1.00 . A A . 14 LYS CE 1 1 19 7042 1 1 14 LYS CG C 0.993 4.815 -2.806 1.00 . A A . 14 LYS CG 1 1 19 7043 1 1 14 LYS H H 1.479 2.456 -1.263 1.00 . A A . 14 LYS H 1 1 19 7044 1 1 14 LYS HA H 3.559 3.496 -2.918 1.00 . A A . 14 LYS HA 1 1 19 7045 1 1 14 LYS HB2 H 1.844 4.988 -0.838 1.00 . A A . 14 LYS HB2 1 1 19 7046 1 1 14 LYS HB3 H 2.828 5.740 -2.141 1.00 . A A . 14 LYS HB3 1 1 19 7047 1 1 14 LYS HD2 H 2.036 5.486 -4.584 1.00 . A A . 14 LYS HD2 1 1 19 7048 1 1 14 LYS HD3 H 1.823 3.699 -4.474 1.00 . A A . 14 LYS HD3 1 1 19 7049 1 1 14 LYS HE2 H -0.651 3.979 -4.904 1.00 . A A . 14 LYS HE2 1 1 19 7050 1 1 14 LYS HE3 H -0.408 5.765 -5.070 1.00 . A A . 14 LYS HE3 1 1 19 7051 1 1 14 LYS HG2 H 0.331 3.976 -2.505 1.00 . A A . 14 LYS HG2 1 1 19 7052 1 1 14 LYS HG3 H 0.424 5.760 -2.657 1.00 . A A . 14 LYS HG3 1 1 19 7053 1 1 14 LYS HZ1 H 1.093 5.324 -6.902 1.00 . A A . 14 LYS HZ1 1 1 19 7054 1 1 14 LYS HZ2 H -0.448 4.668 -7.186 1.00 . A A . 14 LYS HZ2 1 1 19 7055 1 1 14 LYS HZ3 H 0.839 3.651 -6.748 1.00 . A A . 14 LYS HZ3 1 1 19 7056 1 1 14 LYS N N 2.385 2.361 -1.664 1.00 . A A . 14 LYS N 1 1 19 7057 1 1 14 LYS NZ N 0.416 4.591 -6.611 1.00 . A A . 14 LYS NZ 1 1 19 7058 1 1 14 LYS O O 5.319 4.183 -1.286 1.00 . A A . 14 LYS O 1 1 19 7059 1 1 15 VAL C C 5.859 2.481 1.409 1.00 . A A . 15 VAL C 1 1 19 7060 1 1 15 VAL CA C 4.832 3.589 1.474 1.00 . A A . 15 VAL CA 1 1 19 7061 1 1 15 VAL CB C 4.088 3.536 2.808 1.00 . A A . 15 VAL CB 1 1 19 7062 1 1 15 VAL CG1 C 5.056 3.739 3.994 1.00 . A A . 15 VAL CG1 1 1 19 7063 1 1 15 VAL CG2 C 2.992 4.624 2.809 1.00 . A A . 15 VAL CG2 1 1 19 7064 1 1 15 VAL H H 3.019 3.119 0.596 1.00 . A A . 15 VAL H 1 1 19 7065 1 1 15 VAL HA H 5.341 4.539 1.386 1.00 . A A . 15 VAL HA 1 1 19 7066 1 1 15 VAL HB H 3.589 2.547 2.923 1.00 . A A . 15 VAL HB 1 1 19 7067 1 1 15 VAL HG11 H 5.622 4.687 3.873 1.00 . A A . 15 VAL HG11 1 1 19 7068 1 1 15 VAL HG12 H 5.776 2.899 4.073 1.00 . A A . 15 VAL HG12 1 1 19 7069 1 1 15 VAL HG13 H 4.484 3.789 4.944 1.00 . A A . 15 VAL HG13 1 1 19 7070 1 1 15 VAL HG21 H 2.231 4.433 2.026 1.00 . A A . 15 VAL HG21 1 1 19 7071 1 1 15 VAL HG22 H 3.441 5.624 2.633 1.00 . A A . 15 VAL HG22 1 1 19 7072 1 1 15 VAL HG23 H 2.475 4.639 3.791 1.00 . A A . 15 VAL HG23 1 1 19 7073 1 1 15 VAL N N 3.924 3.462 0.355 1.00 . A A . 15 VAL N 1 1 19 7074 1 1 15 VAL O O 7.018 2.675 1.772 1.00 . A A . 15 VAL O 1 1 19 7075 1 1 16 PHE C C 7.342 0.350 -0.267 1.00 . A A . 16 PHE C 1 1 19 7076 1 1 16 PHE CA C 6.268 0.116 0.769 1.00 . A A . 16 PHE CA 1 1 19 7077 1 1 16 PHE CB C 5.414 -1.122 0.374 1.00 . A A . 16 PHE CB 1 1 19 7078 1 1 16 PHE CD1 C 6.658 -2.952 1.605 1.00 . A A . 16 PHE CD1 1 1 19 7079 1 1 16 PHE CD2 C 6.577 -3.033 -0.814 1.00 . A A . 16 PHE CD2 1 1 19 7080 1 1 16 PHE CE1 C 7.440 -4.114 1.619 1.00 . A A . 16 PHE CE1 1 1 19 7081 1 1 16 PHE CE2 C 7.361 -4.193 -0.804 1.00 . A A . 16 PHE CE2 1 1 19 7082 1 1 16 PHE CG C 6.221 -2.399 0.389 1.00 . A A . 16 PHE CG 1 1 19 7083 1 1 16 PHE CZ C 7.794 -4.733 0.414 1.00 . A A . 16 PHE CZ 1 1 19 7084 1 1 16 PHE H H 4.501 1.177 0.602 1.00 . A A . 16 PHE H 1 1 19 7085 1 1 16 PHE HA H 6.740 -0.056 1.727 1.00 . A A . 16 PHE HA 1 1 19 7086 1 1 16 PHE HB2 H 4.586 -1.245 1.103 1.00 . A A . 16 PHE HB2 1 1 19 7087 1 1 16 PHE HB3 H 4.969 -0.985 -0.635 1.00 . A A . 16 PHE HB3 1 1 19 7088 1 1 16 PHE HD1 H 6.396 -2.473 2.538 1.00 . A A . 16 PHE HD1 1 1 19 7089 1 1 16 PHE HD2 H 6.255 -2.615 -1.756 1.00 . A A . 16 PHE HD2 1 1 19 7090 1 1 16 PHE HE1 H 7.774 -4.528 2.558 1.00 . A A . 16 PHE HE1 1 1 19 7091 1 1 16 PHE HE2 H 7.634 -4.668 -1.734 1.00 . A A . 16 PHE HE2 1 1 19 7092 1 1 16 PHE HZ H 8.400 -5.627 0.422 1.00 . A A . 16 PHE HZ 1 1 19 7093 1 1 16 PHE N N 5.444 1.293 0.904 1.00 . A A . 16 PHE N 1 1 19 7094 1 1 16 PHE O O 8.504 0.037 -0.026 1.00 . A A . 16 PHE O 1 1 19 7095 1 1 17 ASN C C 8.750 2.340 -2.311 1.00 . A A . 17 ASN C 1 1 19 7096 1 1 17 ASN CA C 7.857 1.150 -2.555 1.00 . A A . 17 ASN CA 1 1 19 7097 1 1 17 ASN CB C 7.094 1.419 -3.879 1.00 . A A . 17 ASN CB 1 1 19 7098 1 1 17 ASN CG C 6.342 0.163 -4.346 1.00 . A A . 17 ASN CG 1 1 19 7099 1 1 17 ASN H H 6.018 1.187 -1.592 1.00 . A A . 17 ASN H 1 1 19 7100 1 1 17 ASN HA H 8.490 0.280 -2.669 1.00 . A A . 17 ASN HA 1 1 19 7101 1 1 17 ASN HB2 H 6.374 2.251 -3.731 1.00 . A A . 17 ASN HB2 1 1 19 7102 1 1 17 ASN HB3 H 7.808 1.702 -4.683 1.00 . A A . 17 ASN HB3 1 1 19 7103 1 1 17 ASN HD21 H 5.280 1.289 -5.704 1.00 . A A . 17 ASN HD21 1 1 19 7104 1 1 17 ASN HD22 H 4.897 -0.402 -5.697 1.00 . A A . 17 ASN HD22 1 1 19 7105 1 1 17 ASN N N 6.967 0.923 -1.436 1.00 . A A . 17 ASN N 1 1 19 7106 1 1 17 ASN ND2 N 5.423 0.369 -5.339 1.00 . A A . 17 ASN ND2 1 1 19 7107 1 1 17 ASN O O 9.780 2.476 -2.966 1.00 . A A . 17 ASN O 1 1 19 7108 1 1 17 ASN OD1 O 6.567 -0.951 -3.860 1.00 . A A . 17 ASN OD1 1 1 19 7109 1 1 18 HIS C C 10.350 3.957 -0.155 1.00 . A A . 18 HIS C 1 1 19 7110 1 1 18 HIS CA C 9.166 4.383 -0.987 1.00 . A A . 18 HIS CA 1 1 19 7111 1 1 18 HIS CB C 8.324 5.414 -0.192 1.00 . A A . 18 HIS CB 1 1 19 7112 1 1 18 HIS CD2 C 8.990 7.894 -0.567 1.00 . A A . 18 HIS CD2 1 1 19 7113 1 1 18 HIS CE1 C 10.320 8.199 1.082 1.00 . A A . 18 HIS CE1 1 1 19 7114 1 1 18 HIS CG C 9.029 6.713 0.107 1.00 . A A . 18 HIS CG 1 1 19 7115 1 1 18 HIS H H 7.537 3.102 -0.839 1.00 . A A . 18 HIS H 1 1 19 7116 1 1 18 HIS HA H 9.526 4.848 -1.894 1.00 . A A . 18 HIS HA 1 1 19 7117 1 1 18 HIS HB2 H 7.432 5.668 -0.804 1.00 . A A . 18 HIS HB2 1 1 19 7118 1 1 18 HIS HB3 H 7.959 4.964 0.756 1.00 . A A . 18 HIS HB3 1 1 19 7119 1 1 18 HIS HD1 H 10.142 6.233 1.857 1.00 . A A . 18 HIS HD1 1 1 19 7120 1 1 18 HIS HD2 H 8.441 8.160 -1.460 1.00 . A A . 18 HIS HD2 1 1 19 7121 1 1 18 HIS HE1 H 11.016 8.634 1.796 1.00 . A A . 18 HIS HE1 1 1 19 7122 1 1 18 HIS N N 8.385 3.223 -1.351 1.00 . A A . 18 HIS N 1 1 19 7123 1 1 18 HIS ND1 N 9.888 6.915 1.168 1.00 . A A . 18 HIS ND1 1 1 19 7124 1 1 18 HIS NE2 N 9.804 8.831 0.046 1.00 . A A . 18 HIS NE2 1 1 19 7125 1 1 18 HIS O O 11.461 4.445 -0.354 1.00 . A A . 18 HIS O 1 1 19 7126 1 1 19 GLY C C 11.986 1.466 1.090 1.00 . A A . 19 GLY C 1 1 19 7127 1 1 19 GLY CA C 11.144 2.547 1.707 1.00 . A A . 19 GLY CA 1 1 19 7128 1 1 19 GLY H H 9.222 2.620 0.924 1.00 . A A . 19 GLY H 1 1 19 7129 1 1 19 GLY HA2 H 11.783 3.375 1.977 1.00 . A A . 19 GLY HA2 1 1 19 7130 1 1 19 GLY HA3 H 10.624 2.121 2.552 1.00 . A A . 19 GLY HA3 1 1 19 7131 1 1 19 GLY N N 10.127 3.018 0.795 1.00 . A A . 19 GLY N 1 1 19 7132 1 1 19 GLY O O 13.096 1.205 1.553 1.00 . A A . 19 GLY O 1 1 19 7133 1 1 20 GLU C C 13.055 0.361 -1.688 1.00 . A A . 20 GLU C 1 1 19 7134 1 1 20 GLU CA C 12.139 -0.263 -0.673 1.00 . A A . 20 GLU CA 1 1 19 7135 1 1 20 GLU CB C 11.127 -1.216 -1.355 1.00 . A A . 20 GLU CB 1 1 19 7136 1 1 20 GLU CD C 10.641 -3.330 -2.592 1.00 . A A . 20 GLU CD 1 1 19 7137 1 1 20 GLU CG C 11.753 -2.394 -2.119 1.00 . A A . 20 GLU CG 1 1 19 7138 1 1 20 GLU H H 10.568 1.040 -0.328 1.00 . A A . 20 GLU H 1 1 19 7139 1 1 20 GLU HA H 12.733 -0.828 0.033 1.00 . A A . 20 GLU HA 1 1 19 7140 1 1 20 GLU HB2 H 10.477 -1.632 -0.550 1.00 . A A . 20 GLU HB2 1 1 19 7141 1 1 20 GLU HB3 H 10.471 -0.635 -2.039 1.00 . A A . 20 GLU HB3 1 1 19 7142 1 1 20 GLU HG2 H 12.321 -2.026 -3.001 1.00 . A A . 20 GLU HG2 1 1 19 7143 1 1 20 GLU HG3 H 12.450 -2.944 -1.451 1.00 . A A . 20 GLU HG3 1 1 19 7144 1 1 20 GLU N N 11.470 0.807 0.026 1.00 . A A . 20 GLU N 1 1 19 7145 1 1 20 GLU O O 14.275 0.319 -1.537 1.00 . A A . 20 GLU O 1 1 19 7146 1 1 20 GLU OE1 O 9.747 -2.859 -3.344 1.00 . A A . 20 GLU OE1 1 1 19 7147 1 1 20 GLU OE2 O 10.667 -4.528 -2.201 1.00 . A A . 20 GLU OE2 1 1 19 7148 1 1 21 HIS C C 13.457 3.059 -3.329 1.00 . A A . 21 HIS C 1 1 19 7149 1 1 21 HIS CA C 13.197 1.653 -3.779 1.00 . A A . 21 HIS CA 1 1 19 7150 1 1 21 HIS CB C 12.441 1.687 -5.121 1.00 . A A . 21 HIS CB 1 1 19 7151 1 1 21 HIS CD2 C 10.979 -0.410 -5.505 1.00 . A A . 21 HIS CD2 1 1 19 7152 1 1 21 HIS CE1 C 12.397 -1.712 -6.436 1.00 . A A . 21 HIS CE1 1 1 19 7153 1 1 21 HIS CG C 12.132 0.303 -5.609 1.00 . A A . 21 HIS CG 1 1 19 7154 1 1 21 HIS H H 11.485 0.994 -2.859 1.00 . A A . 21 HIS H 1 1 19 7155 1 1 21 HIS HA H 14.123 1.127 -3.927 1.00 . A A . 21 HIS HA 1 1 19 7156 1 1 21 HIS HB2 H 11.478 2.229 -5.001 1.00 . A A . 21 HIS HB2 1 1 19 7157 1 1 21 HIS HB3 H 13.043 2.216 -5.891 1.00 . A A . 21 HIS HB3 1 1 19 7158 1 1 21 HIS HD1 H 14.000 -0.324 -6.410 1.00 . A A . 21 HIS HD1 1 1 19 7159 1 1 21 HIS HD2 H 10.038 -0.118 -5.061 1.00 . A A . 21 HIS HD2 1 1 19 7160 1 1 21 HIS HE1 H 12.880 -2.568 -6.903 1.00 . A A . 21 HIS HE1 1 1 19 7161 1 1 21 HIS N N 12.471 0.978 -2.742 1.00 . A A . 21 HIS N 1 1 19 7162 1 1 21 HIS ND1 N 13.044 -0.542 -6.204 1.00 . A A . 21 HIS ND1 1 1 19 7163 1 1 21 HIS NE2 N 11.142 -1.679 -6.030 1.00 . A A . 21 HIS NE2 1 1 19 7164 1 1 21 HIS O O 12.533 3.855 -3.178 1.00 . A A . 21 HIS O 1 1 19 7165 1 1 22 ILE C C 15.458 5.482 -3.864 1.00 . A A . 22 ILE C 1 1 19 7166 1 1 22 ILE CA C 15.185 4.676 -2.633 1.00 . A A . 22 ILE CA 1 1 19 7167 1 1 22 ILE CB C 16.417 4.597 -1.732 1.00 . A A . 22 ILE CB 1 1 19 7168 1 1 22 ILE CD1 C 15.008 3.984 0.377 1.00 . A A . 22 ILE CD1 1 1 19 7169 1 1 22 ILE CG1 C 16.188 3.630 -0.537 1.00 . A A . 22 ILE CG1 1 1 19 7170 1 1 22 ILE CG2 C 16.819 6.014 -1.261 1.00 . A A . 22 ILE CG2 1 1 19 7171 1 1 22 ILE H H 15.475 2.709 -3.220 1.00 . A A . 22 ILE H 1 1 19 7172 1 1 22 ILE HA H 14.387 5.154 -2.108 1.00 . A A . 22 ILE HA 1 1 19 7173 1 1 22 ILE HB H 17.274 4.177 -2.307 1.00 . A A . 22 ILE HB 1 1 19 7174 1 1 22 ILE HD11 H 14.963 3.273 1.229 1.00 . A A . 22 ILE HD11 1 1 19 7175 1 1 22 ILE HD12 H 14.047 3.917 -0.174 1.00 . A A . 22 ILE HD12 1 1 19 7176 1 1 22 ILE HD13 H 15.115 5.009 0.787 1.00 . A A . 22 ILE HD13 1 1 19 7177 1 1 22 ILE HG12 H 16.039 2.598 -0.925 1.00 . A A . 22 ILE HG12 1 1 19 7178 1 1 22 ILE HG13 H 17.116 3.621 0.079 1.00 . A A . 22 ILE HG13 1 1 19 7179 1 1 22 ILE HG21 H 15.970 6.511 -0.746 1.00 . A A . 22 ILE HG21 1 1 19 7180 1 1 22 ILE HG22 H 17.132 6.645 -2.119 1.00 . A A . 22 ILE HG22 1 1 19 7181 1 1 22 ILE HG23 H 17.673 5.950 -0.554 1.00 . A A . 22 ILE HG23 1 1 19 7182 1 1 22 ILE N N 14.749 3.380 -3.093 1.00 . A A . 22 ILE N 1 1 19 7183 1 1 22 ILE O O 14.817 6.497 -4.131 1.00 . A A . 22 ILE O 1 1 19 7184 1 1 23 HIS C C 16.129 4.907 -7.010 1.00 . A A . 23 HIS C 1 1 19 7185 1 1 23 HIS CA C 16.890 5.543 -5.878 1.00 . A A . 23 HIS CA 1 1 19 7186 1 1 23 HIS CB C 18.409 5.324 -6.070 1.00 . A A . 23 HIS CB 1 1 19 7187 1 1 23 HIS CD2 C 19.837 5.150 -3.888 1.00 . A A . 23 HIS CD2 1 1 19 7188 1 1 23 HIS CE1 C 20.003 7.225 -3.396 1.00 . A A . 23 HIS CE1 1 1 19 7189 1 1 23 HIS CG C 19.189 5.824 -4.880 1.00 . A A . 23 HIS CG 1 1 19 7190 1 1 23 HIS H H 16.890 4.172 -4.331 1.00 . A A . 23 HIS H 1 1 19 7191 1 1 23 HIS HA H 16.685 6.596 -5.852 1.00 . A A . 23 HIS HA 1 1 19 7192 1 1 23 HIS HB2 H 18.613 4.241 -6.216 1.00 . A A . 23 HIS HB2 1 1 19 7193 1 1 23 HIS HB3 H 18.764 5.865 -6.974 1.00 . A A . 23 HIS HB3 1 1 19 7194 1 1 23 HIS HD1 H 18.912 7.925 -5.073 1.00 . A A . 23 HIS HD1 1 1 19 7195 1 1 23 HIS HD2 H 19.979 4.087 -3.732 1.00 . A A . 23 HIS HD2 1 1 19 7196 1 1 23 HIS HE1 H 20.239 8.167 -2.903 1.00 . A A . 23 HIS HE1 1 1 19 7197 1 1 23 HIS N N 16.428 4.985 -4.643 1.00 . A A . 23 HIS N 1 1 19 7198 1 1 23 HIS ND1 N 19.297 7.160 -4.553 1.00 . A A . 23 HIS ND1 1 1 19 7199 1 1 23 HIS NE2 N 20.351 6.032 -2.954 1.00 . A A . 23 HIS NE2 1 1 19 7200 1 1 23 HIS O O 15.220 4.106 -6.792 1.00 . A A . 23 HIS O 1 1 19 7201 1 1 24 HIS C C 16.522 3.384 -9.756 1.00 . A A . 24 HIS C 1 1 19 7202 1 1 24 HIS CA C 15.867 4.747 -9.450 1.00 . A A . 24 HIS CA 1 1 19 7203 1 1 24 HIS CB C 16.057 5.691 -10.662 1.00 . A A . 24 HIS CB 1 1 19 7204 1 1 24 HIS CD2 C 14.127 5.710 -12.398 1.00 . A A . 24 HIS CD2 1 1 19 7205 1 1 24 HIS CE1 C 14.794 4.190 -13.746 1.00 . A A . 24 HIS CE1 1 1 19 7206 1 1 24 HIS CG C 15.314 5.265 -11.903 1.00 . A A . 24 HIS CG 1 1 19 7207 1 1 24 HIS H H 17.229 5.922 -8.417 1.00 . A A . 24 HIS H 1 1 19 7208 1 1 24 HIS HA H 14.807 4.631 -9.263 1.00 . A A . 24 HIS HA 1 1 19 7209 1 1 24 HIS HB2 H 15.672 6.695 -10.379 1.00 . A A . 24 HIS HB2 1 1 19 7210 1 1 24 HIS HB3 H 17.137 5.802 -10.896 1.00 . A A . 24 HIS HB3 1 1 19 7211 1 1 24 HIS HD1 H 16.582 3.752 -12.696 1.00 . A A . 24 HIS HD1 1 1 19 7212 1 1 24 HIS HD2 H 13.462 6.473 -12.011 1.00 . A A . 24 HIS HD2 1 1 19 7213 1 1 24 HIS HE1 H 14.870 3.489 -14.575 1.00 . A A . 24 HIS HE1 1 1 19 7214 1 1 24 HIS N N 16.492 5.269 -8.261 1.00 . A A . 24 HIS N 1 1 19 7215 1 1 24 HIS ND1 N 15.738 4.286 -12.777 1.00 . A A . 24 HIS ND1 1 1 19 7216 1 1 24 HIS NE2 N 13.798 5.034 -13.559 1.00 . A A . 24 HIS NE2 1 1 19 7217 1 1 24 HIS O O 17.737 3.308 -9.974 1.00 . A A . 24 HIS O 1 1 19 7218 1 1 25 NH2 HN1 H 14.714 2.418 -9.580 1.00 . A A . 25 NH2 HN1 1 1 19 7219 1 1 25 NH2 HN2 H 16.057 1.390 -9.956 1.00 . A A . 25 NH2 HN2 1 1 19 7220 1 1 25 NH2 N N 15.689 2.300 -9.765 1.00 . A A . 25 NH2 N 1 1 20 7221 1 1 1 ACE C C -16.519 -1.379 -12.276 1.00 . A A . 1 ACE C 1 1 20 7222 1 1 1 ACE CH3 C -17.427 -2.193 -11.414 1.00 . A A . 1 ACE CH3 1 1 20 7223 1 1 1 ACE H1 H -18.436 -2.263 -11.876 1.00 . A A . 1 ACE H1 1 1 20 7224 1 1 1 ACE H2 H -17.021 -3.220 -11.287 1.00 . A A . 1 ACE H2 1 1 20 7225 1 1 1 ACE H3 H -17.527 -1.727 -10.409 1.00 . A A . 1 ACE H3 1 1 20 7226 1 1 1 ACE O O -15.678 -1.922 -12.993 1.00 . A A . 1 ACE O 1 1 20 7227 1 1 2 PHE C C -14.626 1.144 -12.130 1.00 . A A . 2 PHE C 1 1 20 7228 1 1 2 PHE CA C -15.870 0.911 -12.947 1.00 . A A . 2 PHE CA 1 1 20 7229 1 1 2 PHE CB C -16.643 2.236 -13.208 1.00 . A A . 2 PHE CB 1 1 20 7230 1 1 2 PHE CD1 C -15.631 2.921 -15.425 1.00 . A A . 2 PHE CD1 1 1 20 7231 1 1 2 PHE CD2 C -15.322 4.378 -13.513 1.00 . A A . 2 PHE CD2 1 1 20 7232 1 1 2 PHE CE1 C -14.889 3.805 -16.218 1.00 . A A . 2 PHE CE1 1 1 20 7233 1 1 2 PHE CE2 C -14.579 5.262 -14.305 1.00 . A A . 2 PHE CE2 1 1 20 7234 1 1 2 PHE CG C -15.855 3.198 -14.064 1.00 . A A . 2 PHE CG 1 1 20 7235 1 1 2 PHE CZ C -14.362 4.975 -15.659 1.00 . A A . 2 PHE CZ 1 1 20 7236 1 1 2 PHE H H -17.370 0.370 -11.624 1.00 . A A . 2 PHE H 1 1 20 7237 1 1 2 PHE HA H -15.592 0.464 -13.893 1.00 . A A . 2 PHE HA 1 1 20 7238 1 1 2 PHE HB2 H -17.582 2.003 -13.756 1.00 . A A . 2 PHE HB2 1 1 20 7239 1 1 2 PHE HB3 H -16.922 2.733 -12.255 1.00 . A A . 2 PHE HB3 1 1 20 7240 1 1 2 PHE HD1 H -16.033 2.020 -15.863 1.00 . A A . 2 PHE HD1 1 1 20 7241 1 1 2 PHE HD2 H -15.482 4.601 -12.469 1.00 . A A . 2 PHE HD2 1 1 20 7242 1 1 2 PHE HE1 H -14.722 3.584 -17.262 1.00 . A A . 2 PHE HE1 1 1 20 7243 1 1 2 PHE HE2 H -14.172 6.163 -13.871 1.00 . A A . 2 PHE HE2 1 1 20 7244 1 1 2 PHE HZ H -13.788 5.656 -16.270 1.00 . A A . 2 PHE HZ 1 1 20 7245 1 1 2 PHE N N -16.676 -0.035 -12.212 1.00 . A A . 2 PHE N 1 1 20 7246 1 1 2 PHE O O -13.551 0.655 -12.475 1.00 . A A . 2 PHE O 1 1 20 7247 1 1 3 GLU C C -13.960 1.103 -8.958 1.00 . A A . 3 GLU C 1 1 20 7248 1 1 3 GLU CA C -13.715 2.102 -10.049 1.00 . A A . 3 GLU CA 1 1 20 7249 1 1 3 GLU CB C -13.714 3.546 -9.484 1.00 . A A . 3 GLU CB 1 1 20 7250 1 1 3 GLU CD C -11.227 3.603 -9.075 1.00 . A A . 3 GLU CD 1 1 20 7251 1 1 3 GLU CG C -12.603 3.848 -8.458 1.00 . A A . 3 GLU CG 1 1 20 7252 1 1 3 GLU H H -15.651 2.265 -10.750 1.00 . A A . 3 GLU H 1 1 20 7253 1 1 3 GLU HA H -12.759 1.897 -10.510 1.00 . A A . 3 GLU HA 1 1 20 7254 1 1 3 GLU HB2 H -13.604 4.249 -10.341 1.00 . A A . 3 GLU HB2 1 1 20 7255 1 1 3 GLU HB3 H -14.698 3.760 -9.015 1.00 . A A . 3 GLU HB3 1 1 20 7256 1 1 3 GLU HG2 H -12.674 4.908 -8.135 1.00 . A A . 3 GLU HG2 1 1 20 7257 1 1 3 GLU HG3 H -12.731 3.206 -7.562 1.00 . A A . 3 GLU HG3 1 1 20 7258 1 1 3 GLU N N -14.769 1.881 -11.003 1.00 . A A . 3 GLU N 1 1 20 7259 1 1 3 GLU O O -14.695 1.360 -8.004 1.00 . A A . 3 GLU O 1 1 20 7260 1 1 3 GLU OE1 O -10.869 4.331 -10.041 1.00 . A A . 3 GLU OE1 1 1 20 7261 1 1 3 GLU OE2 O -10.518 2.683 -8.590 1.00 . A A . 3 GLU OE2 1 1 20 7262 1 1 4 ASP C C -12.109 -1.742 -8.059 1.00 . A A . 4 ASP C 1 1 20 7263 1 1 4 ASP CA C -13.498 -1.187 -8.197 1.00 . A A . 4 ASP CA 1 1 20 7264 1 1 4 ASP CB C -14.503 -2.254 -8.722 1.00 . A A . 4 ASP CB 1 1 20 7265 1 1 4 ASP CG C -14.869 -3.325 -7.685 1.00 . A A . 4 ASP CG 1 1 20 7266 1 1 4 ASP H H -12.792 -0.275 -9.920 1.00 . A A . 4 ASP H 1 1 20 7267 1 1 4 ASP HA H -13.814 -0.807 -7.233 1.00 . A A . 4 ASP HA 1 1 20 7268 1 1 4 ASP HB2 H -15.443 -1.729 -9.004 1.00 . A A . 4 ASP HB2 1 1 20 7269 1 1 4 ASP HB3 H -14.106 -2.741 -9.636 1.00 . A A . 4 ASP HB3 1 1 20 7270 1 1 4 ASP N N -13.357 -0.093 -9.119 1.00 . A A . 4 ASP N 1 1 20 7271 1 1 4 ASP O O -11.797 -2.822 -8.557 1.00 . A A . 4 ASP O 1 1 20 7272 1 1 4 ASP OD1 O -14.398 -3.240 -6.520 1.00 . A A . 4 ASP OD1 1 1 20 7273 1 1 4 ASP OD2 O -15.643 -4.247 -8.061 1.00 . A A . 4 ASP OD2 1 1 20 7274 1 1 5 LEU C C -9.729 -1.234 -5.587 1.00 . A A . 5 LEU C 1 1 20 7275 1 1 5 LEU CA C -9.876 -1.350 -7.082 1.00 . A A . 5 LEU CA 1 1 20 7276 1 1 5 LEU CB C -8.846 -0.393 -7.738 1.00 . A A . 5 LEU CB 1 1 20 7277 1 1 5 LEU CD1 C -7.901 0.700 -9.824 1.00 . A A . 5 LEU CD1 1 1 20 7278 1 1 5 LEU CD2 C -8.527 -1.754 -9.900 1.00 . A A . 5 LEU CD2 1 1 20 7279 1 1 5 LEU CG C -8.860 -0.380 -9.286 1.00 . A A . 5 LEU CG 1 1 20 7280 1 1 5 LEU H H -11.519 -0.095 -6.989 1.00 . A A . 5 LEU H 1 1 20 7281 1 1 5 LEU HA H -9.710 -2.373 -7.385 1.00 . A A . 5 LEU HA 1 1 20 7282 1 1 5 LEU HB2 H -9.048 0.643 -7.385 1.00 . A A . 5 LEU HB2 1 1 20 7283 1 1 5 LEU HB3 H -7.821 -0.670 -7.410 1.00 . A A . 5 LEU HB3 1 1 20 7284 1 1 5 LEU HD11 H -6.856 0.466 -9.530 1.00 . A A . 5 LEU HD11 1 1 20 7285 1 1 5 LEU HD12 H -8.169 1.696 -9.413 1.00 . A A . 5 LEU HD12 1 1 20 7286 1 1 5 LEU HD13 H -7.957 0.748 -10.932 1.00 . A A . 5 LEU HD13 1 1 20 7287 1 1 5 LEU HD21 H -8.520 -1.683 -11.009 1.00 . A A . 5 LEU HD21 1 1 20 7288 1 1 5 LEU HD22 H -9.279 -2.515 -9.610 1.00 . A A . 5 LEU HD22 1 1 20 7289 1 1 5 LEU HD23 H -7.526 -2.094 -9.563 1.00 . A A . 5 LEU HD23 1 1 20 7290 1 1 5 LEU HG H -9.887 -0.101 -9.616 1.00 . A A . 5 LEU HG 1 1 20 7291 1 1 5 LEU N N -11.238 -0.973 -7.368 1.00 . A A . 5 LEU N 1 1 20 7292 1 1 5 LEU O O -10.525 -0.524 -4.972 1.00 . A A . 5 LEU O 1 1 20 7293 1 1 6 PRO C C -7.605 -0.319 -3.508 1.00 . A A . 6 PRO C 1 1 20 7294 1 1 6 PRO CA C -8.398 -1.606 -3.560 1.00 . A A . 6 PRO CA 1 1 20 7295 1 1 6 PRO CB C -7.549 -2.821 -3.151 1.00 . A A . 6 PRO CB 1 1 20 7296 1 1 6 PRO CD C -7.974 -2.982 -5.509 1.00 . A A . 6 PRO CD 1 1 20 7297 1 1 6 PRO CG C -6.918 -3.322 -4.455 1.00 . A A . 6 PRO CG 1 1 20 7298 1 1 6 PRO HA H -9.278 -1.507 -2.941 1.00 . A A . 6 PRO HA 1 1 20 7299 1 1 6 PRO HB2 H -6.797 -2.593 -2.371 1.00 . A A . 6 PRO HB2 1 1 20 7300 1 1 6 PRO HB3 H -8.230 -3.612 -2.766 1.00 . A A . 6 PRO HB3 1 1 20 7301 1 1 6 PRO HD2 H -7.492 -2.682 -6.464 1.00 . A A . 6 PRO HD2 1 1 20 7302 1 1 6 PRO HD3 H -8.651 -3.848 -5.675 1.00 . A A . 6 PRO HD3 1 1 20 7303 1 1 6 PRO HG2 H -5.989 -2.748 -4.664 1.00 . A A . 6 PRO HG2 1 1 20 7304 1 1 6 PRO HG3 H -6.683 -4.404 -4.422 1.00 . A A . 6 PRO HG3 1 1 20 7305 1 1 6 PRO N N -8.759 -1.882 -4.942 1.00 . A A . 6 PRO N 1 1 20 7306 1 1 6 PRO O O -6.379 -0.357 -3.594 1.00 . A A . 6 PRO O 1 1 20 7307 1 1 7 ASN C C -7.036 2.502 -2.145 1.00 . A A . 7 ASN C 1 1 20 7308 1 1 7 ASN CA C -7.704 2.151 -3.441 1.00 . A A . 7 ASN CA 1 1 20 7309 1 1 7 ASN CB C -8.742 3.251 -3.771 1.00 . A A . 7 ASN CB 1 1 20 7310 1 1 7 ASN CG C -9.318 2.991 -5.170 1.00 . A A . 7 ASN CG 1 1 20 7311 1 1 7 ASN H H -9.290 0.825 -3.268 1.00 . A A . 7 ASN H 1 1 20 7312 1 1 7 ASN HA H -6.938 2.127 -4.193 1.00 . A A . 7 ASN HA 1 1 20 7313 1 1 7 ASN HB2 H -9.549 3.256 -3.009 1.00 . A A . 7 ASN HB2 1 1 20 7314 1 1 7 ASN HB3 H -8.254 4.250 -3.779 1.00 . A A . 7 ASN HB3 1 1 20 7315 1 1 7 ASN HD21 H -11.211 2.723 -4.407 1.00 . A A . 7 ASN HD21 1 1 20 7316 1 1 7 ASN HD22 H -11.086 2.558 -6.127 1.00 . A A . 7 ASN HD22 1 1 20 7317 1 1 7 ASN N N -8.297 0.835 -3.366 1.00 . A A . 7 ASN N 1 1 20 7318 1 1 7 ASN ND2 N -10.659 2.735 -5.240 1.00 . A A . 7 ASN ND2 1 1 20 7319 1 1 7 ASN O O -6.070 3.260 -2.120 1.00 . A A . 7 ASN O 1 1 20 7320 1 1 7 ASN OD1 O -8.579 3.021 -6.161 1.00 . A A . 7 ASN OD1 1 1 20 7321 1 1 8 PHE C C -5.777 1.104 0.371 1.00 . A A . 8 PHE C 1 1 20 7322 1 1 8 PHE CA C -6.975 2.019 0.282 1.00 . A A . 8 PHE CA 1 1 20 7323 1 1 8 PHE CB C -8.010 1.645 1.380 1.00 . A A . 8 PHE CB 1 1 20 7324 1 1 8 PHE CD1 C -7.345 3.260 3.212 1.00 . A A . 8 PHE CD1 1 1 20 7325 1 1 8 PHE CD2 C -7.071 0.886 3.609 1.00 . A A . 8 PHE CD2 1 1 20 7326 1 1 8 PHE CE1 C -6.804 3.535 4.473 1.00 . A A . 8 PHE CE1 1 1 20 7327 1 1 8 PHE CE2 C -6.531 1.159 4.871 1.00 . A A . 8 PHE CE2 1 1 20 7328 1 1 8 PHE CG C -7.481 1.934 2.765 1.00 . A A . 8 PHE CG 1 1 20 7329 1 1 8 PHE CZ C -6.395 2.483 5.303 1.00 . A A . 8 PHE CZ 1 1 20 7330 1 1 8 PHE H H -8.314 1.294 -1.144 1.00 . A A . 8 PHE H 1 1 20 7331 1 1 8 PHE HA H -6.641 3.038 0.420 1.00 . A A . 8 PHE HA 1 1 20 7332 1 1 8 PHE HB2 H -8.928 2.255 1.241 1.00 . A A . 8 PHE HB2 1 1 20 7333 1 1 8 PHE HB3 H -8.291 0.572 1.307 1.00 . A A . 8 PHE HB3 1 1 20 7334 1 1 8 PHE HD1 H -7.648 4.076 2.572 1.00 . A A . 8 PHE HD1 1 1 20 7335 1 1 8 PHE HD2 H -7.157 -0.138 3.274 1.00 . A A . 8 PHE HD2 1 1 20 7336 1 1 8 PHE HE1 H -6.698 4.557 4.804 1.00 . A A . 8 PHE HE1 1 1 20 7337 1 1 8 PHE HE2 H -6.211 0.347 5.509 1.00 . A A . 8 PHE HE2 1 1 20 7338 1 1 8 PHE HZ H -5.975 2.695 6.276 1.00 . A A . 8 PHE HZ 1 1 20 7339 1 1 8 PHE N N -7.536 1.906 -1.042 1.00 . A A . 8 PHE N 1 1 20 7340 1 1 8 PHE O O -4.817 1.405 1.073 1.00 . A A . 8 PHE O 1 1 20 7341 1 1 9 GLY C C -3.526 -0.461 -1.127 1.00 . A A . 9 GLY C 1 1 20 7342 1 1 9 GLY CA C -4.735 -0.994 -0.413 1.00 . A A . 9 GLY CA 1 1 20 7343 1 1 9 GLY H H -6.592 -0.242 -0.948 1.00 . A A . 9 GLY H 1 1 20 7344 1 1 9 GLY HA2 H -4.462 -1.240 0.604 1.00 . A A . 9 GLY HA2 1 1 20 7345 1 1 9 GLY HA3 H -5.105 -1.843 -0.969 1.00 . A A . 9 GLY HA3 1 1 20 7346 1 1 9 GLY N N -5.806 -0.027 -0.373 1.00 . A A . 9 GLY N 1 1 20 7347 1 1 9 GLY O O -2.407 -0.880 -0.840 1.00 . A A . 9 GLY O 1 1 20 7348 1 1 10 HIS C C -1.949 2.176 -2.064 1.00 . A A . 10 HIS C 1 1 20 7349 1 1 10 HIS CA C -2.670 1.101 -2.843 1.00 . A A . 10 HIS CA 1 1 20 7350 1 1 10 HIS CB C -3.189 1.745 -4.153 1.00 . A A . 10 HIS CB 1 1 20 7351 1 1 10 HIS CD2 C -4.956 0.967 -5.885 1.00 . A A . 10 HIS CD2 1 1 20 7352 1 1 10 HIS CE1 C -4.289 -1.031 -6.257 1.00 . A A . 10 HIS CE1 1 1 20 7353 1 1 10 HIS CG C -3.873 0.779 -5.084 1.00 . A A . 10 HIS CG 1 1 20 7354 1 1 10 HIS H H -4.645 0.827 -2.272 1.00 . A A . 10 HIS H 1 1 20 7355 1 1 10 HIS HA H -1.954 0.330 -3.096 1.00 . A A . 10 HIS HA 1 1 20 7356 1 1 10 HIS HB2 H -3.907 2.558 -3.911 1.00 . A A . 10 HIS HB2 1 1 20 7357 1 1 10 HIS HB3 H -2.339 2.190 -4.713 1.00 . A A . 10 HIS HB3 1 1 20 7358 1 1 10 HIS HD1 H -2.656 -0.956 -4.909 1.00 . A A . 10 HIS HD1 1 1 20 7359 1 1 10 HIS HD2 H -5.577 1.844 -6.013 1.00 . A A . 10 HIS HD2 1 1 20 7360 1 1 10 HIS HE1 H -4.189 -2.045 -6.638 1.00 . A A . 10 HIS HE1 1 1 20 7361 1 1 10 HIS N N -3.727 0.497 -2.065 1.00 . A A . 10 HIS N 1 1 20 7362 1 1 10 HIS ND1 N -3.443 -0.508 -5.333 1.00 . A A . 10 HIS ND1 1 1 20 7363 1 1 10 HIS NE2 N -5.222 -0.173 -6.623 1.00 . A A . 10 HIS NE2 1 1 20 7364 1 1 10 HIS O O -0.910 2.659 -2.509 1.00 . A A . 10 HIS O 1 1 20 7365 1 1 11 ILE C C -0.749 2.903 0.743 1.00 . A A . 11 ILE C 1 1 20 7366 1 1 11 ILE CA C -1.876 3.563 -0.011 1.00 . A A . 11 ILE CA 1 1 20 7367 1 1 11 ILE CB C -2.879 4.222 0.943 1.00 . A A . 11 ILE CB 1 1 20 7368 1 1 11 ILE CD1 C -5.031 5.666 0.969 1.00 . A A . 11 ILE CD1 1 1 20 7369 1 1 11 ILE CG1 C -3.917 5.034 0.124 1.00 . A A . 11 ILE CG1 1 1 20 7370 1 1 11 ILE CG2 C -2.150 5.117 1.977 1.00 . A A . 11 ILE CG2 1 1 20 7371 1 1 11 ILE H H -3.288 2.116 -0.510 1.00 . A A . 11 ILE H 1 1 20 7372 1 1 11 ILE HA H -1.450 4.336 -0.635 1.00 . A A . 11 ILE HA 1 1 20 7373 1 1 11 ILE HB H -3.428 3.431 1.501 1.00 . A A . 11 ILE HB 1 1 20 7374 1 1 11 ILE HD11 H -5.812 6.103 0.309 1.00 . A A . 11 ILE HD11 1 1 20 7375 1 1 11 ILE HD12 H -4.632 6.478 1.611 1.00 . A A . 11 ILE HD12 1 1 20 7376 1 1 11 ILE HD13 H -5.504 4.902 1.620 1.00 . A A . 11 ILE HD13 1 1 20 7377 1 1 11 ILE HG12 H -3.385 5.838 -0.433 1.00 . A A . 11 ILE HG12 1 1 20 7378 1 1 11 ILE HG13 H -4.397 4.369 -0.624 1.00 . A A . 11 ILE HG13 1 1 20 7379 1 1 11 ILE HG21 H -2.878 5.619 2.646 1.00 . A A . 11 ILE HG21 1 1 20 7380 1 1 11 ILE HG22 H -1.552 5.895 1.457 1.00 . A A . 11 ILE HG22 1 1 20 7381 1 1 11 ILE HG23 H -1.477 4.520 2.626 1.00 . A A . 11 ILE HG23 1 1 20 7382 1 1 11 ILE N N -2.471 2.561 -0.871 1.00 . A A . 11 ILE N 1 1 20 7383 1 1 11 ILE O O 0.331 3.478 0.864 1.00 . A A . 11 ILE O 1 1 20 7384 1 1 12 GLN C C 1.161 0.473 1.092 1.00 . A A . 12 GLN C 1 1 20 7385 1 1 12 GLN CA C 0.036 0.923 1.992 1.00 . A A . 12 GLN CA 1 1 20 7386 1 1 12 GLN CB C -0.526 -0.328 2.716 1.00 . A A . 12 GLN CB 1 1 20 7387 1 1 12 GLN CD C -2.778 0.482 3.612 1.00 . A A . 12 GLN CD 1 1 20 7388 1 1 12 GLN CG C -1.372 -0.016 3.968 1.00 . A A . 12 GLN CG 1 1 20 7389 1 1 12 GLN H H -1.837 1.198 1.123 1.00 . A A . 12 GLN H 1 1 20 7390 1 1 12 GLN HA H 0.453 1.589 2.735 1.00 . A A . 12 GLN HA 1 1 20 7391 1 1 12 GLN HB2 H -1.097 -0.960 2.003 1.00 . A A . 12 GLN HB2 1 1 20 7392 1 1 12 GLN HB3 H 0.333 -0.937 3.085 1.00 . A A . 12 GLN HB3 1 1 20 7393 1 1 12 GLN HE21 H -3.368 -1.432 3.139 1.00 . A A . 12 GLN HE21 1 1 20 7394 1 1 12 GLN HE22 H -4.594 -0.220 2.954 1.00 . A A . 12 GLN HE22 1 1 20 7395 1 1 12 GLN HG2 H -1.466 -0.940 4.580 1.00 . A A . 12 GLN HG2 1 1 20 7396 1 1 12 GLN HG3 H -0.857 0.751 4.584 1.00 . A A . 12 GLN HG3 1 1 20 7397 1 1 12 GLN N N -0.961 1.660 1.242 1.00 . A A . 12 GLN N 1 1 20 7398 1 1 12 GLN NE2 N -3.660 -0.478 3.199 1.00 . A A . 12 GLN NE2 1 1 20 7399 1 1 12 GLN O O 2.311 0.428 1.522 1.00 . A A . 12 GLN O 1 1 20 7400 1 1 12 GLN OE1 O -3.074 1.678 3.718 1.00 . A A . 12 GLN OE1 1 1 20 7401 1 1 13 VAL C C 2.749 0.803 -1.567 1.00 . A A . 13 VAL C 1 1 20 7402 1 1 13 VAL CA C 1.797 -0.299 -1.190 1.00 . A A . 13 VAL CA 1 1 20 7403 1 1 13 VAL CB C 1.079 -0.869 -2.413 1.00 . A A . 13 VAL CB 1 1 20 7404 1 1 13 VAL CG1 C 2.031 -1.112 -3.606 1.00 . A A . 13 VAL CG1 1 1 20 7405 1 1 13 VAL CG2 C 0.412 -2.194 -1.987 1.00 . A A . 13 VAL CG2 1 1 20 7406 1 1 13 VAL H H -0.093 0.221 -0.511 1.00 . A A . 13 VAL H 1 1 20 7407 1 1 13 VAL HA H 2.390 -1.064 -0.736 1.00 . A A . 13 VAL HA 1 1 20 7408 1 1 13 VAL HB H 0.288 -0.157 -2.739 1.00 . A A . 13 VAL HB 1 1 20 7409 1 1 13 VAL HG11 H 2.428 -0.159 -4.010 1.00 . A A . 13 VAL HG11 1 1 20 7410 1 1 13 VAL HG12 H 1.487 -1.631 -4.424 1.00 . A A . 13 VAL HG12 1 1 20 7411 1 1 13 VAL HG13 H 2.880 -1.750 -3.286 1.00 . A A . 13 VAL HG13 1 1 20 7412 1 1 13 VAL HG21 H -0.185 -2.608 -2.826 1.00 . A A . 13 VAL HG21 1 1 20 7413 1 1 13 VAL HG22 H -0.258 -2.049 -1.117 1.00 . A A . 13 VAL HG22 1 1 20 7414 1 1 13 VAL HG23 H 1.188 -2.938 -1.707 1.00 . A A . 13 VAL HG23 1 1 20 7415 1 1 13 VAL N N 0.850 0.157 -0.190 1.00 . A A . 13 VAL N 1 1 20 7416 1 1 13 VAL O O 3.925 0.557 -1.828 1.00 . A A . 13 VAL O 1 1 20 7417 1 1 14 LYS C C 4.079 3.526 -0.875 1.00 . A A . 14 LYS C 1 1 20 7418 1 1 14 LYS CA C 2.984 3.252 -1.877 1.00 . A A . 14 LYS CA 1 1 20 7419 1 1 14 LYS CB C 2.044 4.480 -1.924 1.00 . A A . 14 LYS CB 1 1 20 7420 1 1 14 LYS CD C 2.852 5.462 -4.136 1.00 . A A . 14 LYS CD 1 1 20 7421 1 1 14 LYS CE C 3.291 6.721 -4.893 1.00 . A A . 14 LYS CE 1 1 20 7422 1 1 14 LYS CG C 2.621 5.712 -2.638 1.00 . A A . 14 LYS CG 1 1 20 7423 1 1 14 LYS H H 1.291 2.177 -1.338 1.00 . A A . 14 LYS H 1 1 20 7424 1 1 14 LYS HA H 3.435 3.083 -2.844 1.00 . A A . 14 LYS HA 1 1 20 7425 1 1 14 LYS HB2 H 1.120 4.189 -2.471 1.00 . A A . 14 LYS HB2 1 1 20 7426 1 1 14 LYS HB3 H 1.737 4.764 -0.894 1.00 . A A . 14 LYS HB3 1 1 20 7427 1 1 14 LYS HD2 H 3.624 4.670 -4.252 1.00 . A A . 14 LYS HD2 1 1 20 7428 1 1 14 LYS HD3 H 1.901 5.071 -4.565 1.00 . A A . 14 LYS HD3 1 1 20 7429 1 1 14 LYS HE2 H 2.517 7.513 -4.812 1.00 . A A . 14 LYS HE2 1 1 20 7430 1 1 14 LYS HE3 H 4.252 7.102 -4.488 1.00 . A A . 14 LYS HE3 1 1 20 7431 1 1 14 LYS HG2 H 1.893 6.547 -2.530 1.00 . A A . 14 LYS HG2 1 1 20 7432 1 1 14 LYS HG3 H 3.572 6.024 -2.156 1.00 . A A . 14 LYS HG3 1 1 20 7433 1 1 14 LYS HZ1 H 3.787 7.299 -6.823 1.00 . A A . 14 LYS HZ1 1 1 20 7434 1 1 14 LYS HZ2 H 2.600 6.087 -6.743 1.00 . A A . 14 LYS HZ2 1 1 20 7435 1 1 14 LYS HZ3 H 4.226 5.704 -6.441 1.00 . A A . 14 LYS HZ3 1 1 20 7436 1 1 14 LYS N N 2.250 2.054 -1.557 1.00 . A A . 14 LYS N 1 1 20 7437 1 1 14 LYS NZ N 3.491 6.431 -6.332 1.00 . A A . 14 LYS NZ 1 1 20 7438 1 1 14 LYS O O 5.168 3.955 -1.250 1.00 . A A . 14 LYS O 1 1 20 7439 1 1 15 VAL C C 5.834 2.452 1.474 1.00 . A A . 15 VAL C 1 1 20 7440 1 1 15 VAL CA C 4.719 3.469 1.530 1.00 . A A . 15 VAL CA 1 1 20 7441 1 1 15 VAL CB C 4.000 3.395 2.877 1.00 . A A . 15 VAL CB 1 1 20 7442 1 1 15 VAL CG1 C 4.986 3.521 4.061 1.00 . A A . 15 VAL CG1 1 1 20 7443 1 1 15 VAL CG2 C 2.952 4.526 2.932 1.00 . A A . 15 VAL CG2 1 1 20 7444 1 1 15 VAL H H 2.916 2.893 0.688 1.00 . A A . 15 VAL H 1 1 20 7445 1 1 15 VAL HA H 5.154 4.453 1.417 1.00 . A A . 15 VAL HA 1 1 20 7446 1 1 15 VAL HB H 3.470 2.420 2.965 1.00 . A A . 15 VAL HB 1 1 20 7447 1 1 15 VAL HG11 H 4.422 3.570 5.017 1.00 . A A . 15 VAL HG11 1 1 20 7448 1 1 15 VAL HG12 H 5.592 4.446 3.961 1.00 . A A . 15 VAL HG12 1 1 20 7449 1 1 15 VAL HG13 H 5.668 2.647 4.114 1.00 . A A . 15 VAL HG13 1 1 20 7450 1 1 15 VAL HG21 H 3.448 5.514 2.843 1.00 . A A . 15 VAL HG21 1 1 20 7451 1 1 15 VAL HG22 H 2.406 4.491 3.898 1.00 . A A . 15 VAL HG22 1 1 20 7452 1 1 15 VAL HG23 H 2.211 4.430 2.114 1.00 . A A . 15 VAL HG23 1 1 20 7453 1 1 15 VAL N N 3.807 3.257 0.425 1.00 . A A . 15 VAL N 1 1 20 7454 1 1 15 VAL O O 6.989 2.783 1.739 1.00 . A A . 15 VAL O 1 1 20 7455 1 1 16 PHE C C 7.449 0.320 -0.080 1.00 . A A . 16 PHE C 1 1 20 7456 1 1 16 PHE CA C 6.461 0.097 1.034 1.00 . A A . 16 PHE CA 1 1 20 7457 1 1 16 PHE CB C 5.799 -1.287 0.779 1.00 . A A . 16 PHE CB 1 1 20 7458 1 1 16 PHE CD1 C 4.844 -1.292 3.166 1.00 . A A . 16 PHE CD1 1 1 20 7459 1 1 16 PHE CD2 C 3.677 -2.468 1.403 1.00 . A A . 16 PHE CD2 1 1 20 7460 1 1 16 PHE CE1 C 3.849 -1.673 4.075 1.00 . A A . 16 PHE CE1 1 1 20 7461 1 1 16 PHE CE2 C 2.688 -2.859 2.311 1.00 . A A . 16 PHE CE2 1 1 20 7462 1 1 16 PHE CG C 4.762 -1.671 1.810 1.00 . A A . 16 PHE CG 1 1 20 7463 1 1 16 PHE CZ C 2.772 -2.457 3.648 1.00 . A A . 16 PHE CZ 1 1 20 7464 1 1 16 PHE H H 4.573 0.947 0.865 1.00 . A A . 16 PHE H 1 1 20 7465 1 1 16 PHE HA H 7.008 0.076 1.967 1.00 . A A . 16 PHE HA 1 1 20 7466 1 1 16 PHE HB2 H 5.303 -1.284 -0.217 1.00 . A A . 16 PHE HB2 1 1 20 7467 1 1 16 PHE HB3 H 6.571 -2.086 0.786 1.00 . A A . 16 PHE HB3 1 1 20 7468 1 1 16 PHE HD1 H 5.671 -0.701 3.528 1.00 . A A . 16 PHE HD1 1 1 20 7469 1 1 16 PHE HD2 H 3.601 -2.781 0.372 1.00 . A A . 16 PHE HD2 1 1 20 7470 1 1 16 PHE HE1 H 3.919 -1.370 5.109 1.00 . A A . 16 PHE HE1 1 1 20 7471 1 1 16 PHE HE2 H 1.859 -3.467 1.979 1.00 . A A . 16 PHE HE2 1 1 20 7472 1 1 16 PHE HZ H 2.008 -2.755 4.351 1.00 . A A . 16 PHE HZ 1 1 20 7473 1 1 16 PHE N N 5.511 1.189 1.097 1.00 . A A . 16 PHE N 1 1 20 7474 1 1 16 PHE O O 8.645 0.106 0.099 1.00 . A A . 16 PHE O 1 1 20 7475 1 1 17 ASN C C 8.630 2.170 -2.336 1.00 . A A . 17 ASN C 1 1 20 7476 1 1 17 ASN CA C 7.711 0.975 -2.466 1.00 . A A . 17 ASN CA 1 1 20 7477 1 1 17 ASN CB C 6.747 1.183 -3.667 1.00 . A A . 17 ASN CB 1 1 20 7478 1 1 17 ASN CG C 7.432 0.986 -5.028 1.00 . A A . 17 ASN CG 1 1 20 7479 1 1 17 ASN H H 5.977 0.973 -1.341 1.00 . A A . 17 ASN H 1 1 20 7480 1 1 17 ASN HA H 8.309 0.087 -2.608 1.00 . A A . 17 ASN HA 1 1 20 7481 1 1 17 ASN HB2 H 5.935 0.427 -3.593 1.00 . A A . 17 ASN HB2 1 1 20 7482 1 1 17 ASN HB3 H 6.279 2.190 -3.613 1.00 . A A . 17 ASN HB3 1 1 20 7483 1 1 17 ASN HD21 H 5.770 1.742 -5.977 1.00 . A A . 17 ASN HD21 1 1 20 7484 1 1 17 ASN HD22 H 7.065 1.279 -7.032 1.00 . A A . 17 ASN HD22 1 1 20 7485 1 1 17 ASN N N 6.952 0.779 -1.252 1.00 . A A . 17 ASN N 1 1 20 7486 1 1 17 ASN ND2 N 6.691 1.377 -6.110 1.00 . A A . 17 ASN ND2 1 1 20 7487 1 1 17 ASN O O 9.723 2.182 -2.899 1.00 . A A . 17 ASN O 1 1 20 7488 1 1 17 ASN OD1 O 8.559 0.487 -5.128 1.00 . A A . 17 ASN OD1 1 1 20 7489 1 1 18 HIS C C 10.134 4.107 -0.423 1.00 . A A . 18 HIS C 1 1 20 7490 1 1 18 HIS CA C 8.950 4.404 -1.308 1.00 . A A . 18 HIS CA 1 1 20 7491 1 1 18 HIS CB C 8.062 5.482 -0.634 1.00 . A A . 18 HIS CB 1 1 20 7492 1 1 18 HIS CD2 C 8.698 7.924 -1.238 1.00 . A A . 18 HIS CD2 1 1 20 7493 1 1 18 HIS CE1 C 9.908 8.445 0.447 1.00 . A A . 18 HIS CE1 1 1 20 7494 1 1 18 HIS CG C 8.719 6.824 -0.437 1.00 . A A . 18 HIS CG 1 1 20 7495 1 1 18 HIS H H 7.312 3.152 -1.111 1.00 . A A . 18 HIS H 1 1 20 7496 1 1 18 HIS HA H 9.308 4.780 -2.256 1.00 . A A . 18 HIS HA 1 1 20 7497 1 1 18 HIS HB2 H 7.180 5.651 -1.288 1.00 . A A . 18 HIS HB2 1 1 20 7498 1 1 18 HIS HB3 H 7.683 5.108 0.342 1.00 . A A . 18 HIS HB3 1 1 20 7499 1 1 18 HIS HD1 H 9.722 6.572 1.421 1.00 . A A . 18 HIS HD1 1 1 20 7500 1 1 18 HIS HD2 H 8.203 8.075 -2.189 1.00 . A A . 18 HIS HD2 1 1 20 7501 1 1 18 HIS HE1 H 10.545 8.976 1.152 1.00 . A A . 18 HIS HE1 1 1 20 7502 1 1 18 HIS N N 8.201 3.194 -1.561 1.00 . A A . 18 HIS N 1 1 20 7503 1 1 18 HIS ND1 N 9.500 7.167 0.646 1.00 . A A . 18 HIS ND1 1 1 20 7504 1 1 18 HIS NE2 N 9.447 8.946 -0.684 1.00 . A A . 18 HIS NE2 1 1 20 7505 1 1 18 HIS O O 11.202 4.696 -0.589 1.00 . A A . 18 HIS O 1 1 20 7506 1 1 19 GLY C C 12.028 1.907 0.777 1.00 . A A . 19 GLY C 1 1 20 7507 1 1 19 GLY CA C 10.995 2.758 1.457 1.00 . A A . 19 GLY CA 1 1 20 7508 1 1 19 GLY H H 9.093 2.687 0.633 1.00 . A A . 19 GLY H 1 1 20 7509 1 1 19 GLY HA2 H 11.470 3.646 1.848 1.00 . A A . 19 GLY HA2 1 1 20 7510 1 1 19 GLY HA3 H 10.512 2.161 2.216 1.00 . A A . 19 GLY HA3 1 1 20 7511 1 1 19 GLY N N 9.966 3.159 0.530 1.00 . A A . 19 GLY N 1 1 20 7512 1 1 19 GLY O O 13.223 2.180 0.881 1.00 . A A . 19 GLY O 1 1 20 7513 1 1 20 GLU C C 11.721 -0.566 -1.810 1.00 . A A . 20 GLU C 1 1 20 7514 1 1 20 GLU CA C 12.468 -0.065 -0.606 1.00 . A A . 20 GLU CA 1 1 20 7515 1 1 20 GLU CB C 12.922 -1.237 0.304 1.00 . A A . 20 GLU CB 1 1 20 7516 1 1 20 GLU CD C 14.295 -3.314 0.618 1.00 . A A . 20 GLU CD 1 1 20 7517 1 1 20 GLU CG C 13.932 -2.195 -0.357 1.00 . A A . 20 GLU CG 1 1 20 7518 1 1 20 GLU H H 10.608 0.644 -0.018 1.00 . A A . 20 GLU H 1 1 20 7519 1 1 20 GLU HA H 13.334 0.479 -0.958 1.00 . A A . 20 GLU HA 1 1 20 7520 1 1 20 GLU HB2 H 13.405 -0.792 1.203 1.00 . A A . 20 GLU HB2 1 1 20 7521 1 1 20 GLU HB3 H 12.037 -1.803 0.662 1.00 . A A . 20 GLU HB3 1 1 20 7522 1 1 20 GLU HG2 H 13.493 -2.636 -1.277 1.00 . A A . 20 GLU HG2 1 1 20 7523 1 1 20 GLU HG3 H 14.851 -1.638 -0.638 1.00 . A A . 20 GLU HG3 1 1 20 7524 1 1 20 GLU N N 11.581 0.845 0.069 1.00 . A A . 20 GLU N 1 1 20 7525 1 1 20 GLU O O 11.908 -0.056 -2.913 1.00 . A A . 20 GLU O 1 1 20 7526 1 1 20 GLU OE1 O 14.861 -2.999 1.700 1.00 . A A . 20 GLU OE1 1 1 20 7527 1 1 20 GLU OE2 O 14.013 -4.498 0.296 1.00 . A A . 20 GLU OE2 1 1 20 7528 1 1 21 HIS C C 8.906 -2.812 -2.046 1.00 . A A . 21 HIS C 1 1 20 7529 1 1 21 HIS CA C 10.132 -2.221 -2.682 1.00 . A A . 21 HIS CA 1 1 20 7530 1 1 21 HIS CB C 10.961 -3.309 -3.409 1.00 . A A . 21 HIS CB 1 1 20 7531 1 1 21 HIS CD2 C 9.756 -4.877 -5.082 1.00 . A A . 21 HIS CD2 1 1 20 7532 1 1 21 HIS CE1 C 9.702 -3.627 -6.816 1.00 . A A . 21 HIS CE1 1 1 20 7533 1 1 21 HIS CG C 10.385 -3.723 -4.733 1.00 . A A . 21 HIS CG 1 1 20 7534 1 1 21 HIS H H 10.682 -1.966 -0.719 1.00 . A A . 21 HIS H 1 1 20 7535 1 1 21 HIS HA H 9.819 -1.464 -3.377 1.00 . A A . 21 HIS HA 1 1 20 7536 1 1 21 HIS HB2 H 11.978 -2.905 -3.609 1.00 . A A . 21 HIS HB2 1 1 20 7537 1 1 21 HIS HB3 H 11.082 -4.200 -2.755 1.00 . A A . 21 HIS HB3 1 1 20 7538 1 1 21 HIS HD1 H 10.712 -1.991 -5.922 1.00 . A A . 21 HIS HD1 1 1 20 7539 1 1 21 HIS HD2 H 9.547 -5.744 -4.471 1.00 . A A . 21 HIS HD2 1 1 20 7540 1 1 21 HIS HE1 H 9.523 -3.232 -7.814 1.00 . A A . 21 HIS HE1 1 1 20 7541 1 1 21 HIS N N 10.858 -1.588 -1.621 1.00 . A A . 21 HIS N 1 1 20 7542 1 1 21 HIS ND1 N 10.345 -2.920 -5.852 1.00 . A A . 21 HIS ND1 1 1 20 7543 1 1 21 HIS NE2 N 9.324 -4.819 -6.394 1.00 . A A . 21 HIS NE2 1 1 20 7544 1 1 21 HIS O O 8.668 -2.634 -0.852 1.00 . A A . 21 HIS O 1 1 20 7545 1 1 22 ILE C C 7.165 -5.589 -2.114 1.00 . A A . 22 ILE C 1 1 20 7546 1 1 22 ILE CA C 6.847 -4.142 -2.415 1.00 . A A . 22 ILE CA 1 1 20 7547 1 1 22 ILE CB C 5.701 -4.023 -3.424 1.00 . A A . 22 ILE CB 1 1 20 7548 1 1 22 ILE CD1 C 6.495 -2.525 -5.401 1.00 . A A . 22 ILE CD1 1 1 20 7549 1 1 22 ILE CG1 C 5.650 -2.639 -4.125 1.00 . A A . 22 ILE CG1 1 1 20 7550 1 1 22 ILE CG2 C 4.372 -4.272 -2.669 1.00 . A A . 22 ILE CG2 1 1 20 7551 1 1 22 ILE H H 8.332 -3.718 -3.789 1.00 . A A . 22 ILE H 1 1 20 7552 1 1 22 ILE HA H 6.533 -3.662 -1.497 1.00 . A A . 22 ILE HA 1 1 20 7553 1 1 22 ILE HB H 5.800 -4.786 -4.228 1.00 . A A . 22 ILE HB 1 1 20 7554 1 1 22 ILE HD11 H 6.251 -3.354 -6.100 1.00 . A A . 22 ILE HD11 1 1 20 7555 1 1 22 ILE HD12 H 7.578 -2.562 -5.174 1.00 . A A . 22 ILE HD12 1 1 20 7556 1 1 22 ILE HD13 H 6.283 -1.563 -5.913 1.00 . A A . 22 ILE HD13 1 1 20 7557 1 1 22 ILE HG12 H 4.595 -2.458 -4.432 1.00 . A A . 22 ILE HG12 1 1 20 7558 1 1 22 ILE HG13 H 5.928 -1.842 -3.402 1.00 . A A . 22 ILE HG13 1 1 20 7559 1 1 22 ILE HG21 H 4.359 -5.274 -2.194 1.00 . A A . 22 ILE HG21 1 1 20 7560 1 1 22 ILE HG22 H 3.517 -4.212 -3.373 1.00 . A A . 22 ILE HG22 1 1 20 7561 1 1 22 ILE HG23 H 4.232 -3.504 -1.878 1.00 . A A . 22 ILE HG23 1 1 20 7562 1 1 22 ILE N N 8.089 -3.542 -2.841 1.00 . A A . 22 ILE N 1 1 20 7563 1 1 22 ILE O O 6.519 -6.520 -2.595 1.00 . A A . 22 ILE O 1 1 20 7564 1 1 23 HIS C C 7.678 -7.452 0.373 1.00 . A A . 23 HIS C 1 1 20 7565 1 1 23 HIS CA C 8.612 -7.067 -0.745 1.00 . A A . 23 HIS CA 1 1 20 7566 1 1 23 HIS CB C 10.078 -7.046 -0.235 1.00 . A A . 23 HIS CB 1 1 20 7567 1 1 23 HIS CD2 C 10.772 -4.688 0.622 1.00 . A A . 23 HIS CD2 1 1 20 7568 1 1 23 HIS CE1 C 10.560 -4.964 2.733 1.00 . A A . 23 HIS CE1 1 1 20 7569 1 1 23 HIS CG C 10.377 -5.980 0.794 1.00 . A A . 23 HIS CG 1 1 20 7570 1 1 23 HIS H H 8.755 -5.022 -0.975 1.00 . A A . 23 HIS H 1 1 20 7571 1 1 23 HIS HA H 8.530 -7.791 -1.538 1.00 . A A . 23 HIS HA 1 1 20 7572 1 1 23 HIS HB2 H 10.347 -8.043 0.180 1.00 . A A . 23 HIS HB2 1 1 20 7573 1 1 23 HIS HB3 H 10.738 -6.860 -1.111 1.00 . A A . 23 HIS HB3 1 1 20 7574 1 1 23 HIS HD1 H 9.959 -6.993 2.617 1.00 . A A . 23 HIS HD1 1 1 20 7575 1 1 23 HIS HD2 H 10.993 -4.145 -0.286 1.00 . A A . 23 HIS HD2 1 1 20 7576 1 1 23 HIS HE1 H 10.537 -4.808 3.811 1.00 . A A . 23 HIS HE1 1 1 20 7577 1 1 23 HIS N N 8.203 -5.792 -1.272 1.00 . A A . 23 HIS N 1 1 20 7578 1 1 23 HIS ND1 N 10.244 -6.150 2.156 1.00 . A A . 23 HIS ND1 1 1 20 7579 1 1 23 HIS NE2 N 10.885 -4.047 1.843 1.00 . A A . 23 HIS NE2 1 1 20 7580 1 1 23 HIS O O 7.361 -8.626 0.553 1.00 . A A . 23 HIS O 1 1 20 7581 1 1 24 HIS C C 4.837 -6.734 1.589 1.00 . A A . 24 HIS C 1 1 20 7582 1 1 24 HIS CA C 6.249 -6.598 2.200 1.00 . A A . 24 HIS CA 1 1 20 7583 1 1 24 HIS CB C 6.291 -5.402 3.182 1.00 . A A . 24 HIS CB 1 1 20 7584 1 1 24 HIS CD2 C 4.721 -6.622 4.877 1.00 . A A . 24 HIS CD2 1 1 20 7585 1 1 24 HIS CE1 C 4.359 -5.024 6.251 1.00 . A A . 24 HIS CE1 1 1 20 7586 1 1 24 HIS CG C 5.404 -5.547 4.393 1.00 . A A . 24 HIS CG 1 1 20 7587 1 1 24 HIS H H 7.484 -5.497 0.959 1.00 . A A . 24 HIS H 1 1 20 7588 1 1 24 HIS HA H 6.489 -7.505 2.739 1.00 . A A . 24 HIS HA 1 1 20 7589 1 1 24 HIS HB2 H 7.335 -5.283 3.546 1.00 . A A . 24 HIS HB2 1 1 20 7590 1 1 24 HIS HB3 H 6.018 -4.468 2.644 1.00 . A A . 24 HIS HB3 1 1 20 7591 1 1 24 HIS HD1 H 5.534 -3.593 5.222 1.00 . A A . 24 HIS HD1 1 1 20 7592 1 1 24 HIS HD2 H 4.648 -7.631 4.493 1.00 . A A . 24 HIS HD2 1 1 20 7593 1 1 24 HIS HE1 H 4.007 -4.427 7.092 1.00 . A A . 24 HIS HE1 1 1 20 7594 1 1 24 HIS N N 7.201 -6.436 1.131 1.00 . A A . 24 HIS N 1 1 20 7595 1 1 24 HIS ND1 N 5.171 -4.524 5.287 1.00 . A A . 24 HIS ND1 1 1 20 7596 1 1 24 HIS NE2 N 4.059 -6.292 6.046 1.00 . A A . 24 HIS NE2 1 1 20 7597 1 1 24 HIS O O 4.164 -7.749 1.799 1.00 . A A . 24 HIS O 1 1 20 7598 1 1 25 NH2 HN1 H 3.496 -5.735 0.391 1.00 . A A . 25 NH2 HN1 1 1 20 7599 1 1 25 NH2 HN2 H 4.986 -4.896 0.675 1.00 . A A . 25 NH2 HN2 1 1 20 7600 1 1 25 NH2 N N 4.401 -5.694 0.814 1.00 . A A . 25 NH2 N 1 1 stop_ save_
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