NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
595767 | 2n0d | 25521 | cing | 4-filtered-FRED | STAR | entry | full | 116 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2n0d # This FRED archive file contains, for PDB entry <2n0d>: # # - 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_2n0d _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2n0d _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 1105.27 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 $Gastrin_releasing_peptide A . 1 1 stop_ save_ save_Gastrin_releasing_peptide _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Gastrin releasing peptide" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code GNHWAVGHLMX _Entity.Number_of_monomers 11 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 GLY . 1 1 2 ASN . 1 1 3 HIS . 1 1 4 TRP . 1 1 5 ALA . 1 1 6 VAL . 1 1 7 GLY . 1 1 8 HIS . 1 1 9 LEU . 1 1 10 MET . 1 1 11 NH2 $NH2 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID GLY 1 1 1 1 ASN 2 2 1 1 HIS 3 3 1 1 TRP 4 4 1 1 ALA 5 5 1 1 VAL 6 6 1 1 GLY 7 7 1 1 HIS 8 8 1 1 LEU 9 9 1 1 MET 10 10 1 1 NH2 11 11 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_DYANA/DIANA_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 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 2 ASN HA . 2 ASN HA 1 1 1 1 2 1 1 3 HIS H . 3 HIS H 1 1 2 1 1 1 1 2 ASN QB . 2 ASN QB 1 1 2 1 2 1 1 3 HIS H . 3 HIS H 1 1 3 1 1 1 1 2 ASN QB . 2 ASN QB 1 1 3 1 2 1 1 4 TRP H . 4 TRP H 1 1 4 1 1 1 1 2 ASN QB . 2 ASN QB 1 1 4 1 2 1 1 4 TRP HD1 . 4 TRP HD1 1 1 5 1 1 1 1 2 ASN QB . 2 ASN QB 1 1 5 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 6 1 1 1 1 2 ASN QD . 2 ASN QD2 1 1 6 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 7 1 1 1 1 3 HIS H . 3 HIS H 1 1 7 1 2 1 1 3 HIS HB2 . 3 HIS HB2 1 1 8 1 1 1 1 3 HIS H . 3 HIS H 1 1 8 1 2 1 1 3 HIS QB . 3 HIS QB 1 1 9 1 1 1 1 3 HIS H . 3 HIS H 1 1 9 1 2 1 1 3 HIS HB3 . 3 HIS HB3 1 1 10 1 1 1 1 3 HIS H . 3 HIS H 1 1 10 1 2 1 1 3 HIS HD2 . 3 HIS HD2 1 1 11 1 1 1 1 3 HIS H . 3 HIS H 1 1 11 1 2 1 1 4 TRP H . 4 TRP H 1 1 12 1 1 1 1 3 HIS HA . 3 HIS HA 1 1 12 1 2 1 1 3 HIS HD2 . 3 HIS HD2 1 1 13 1 1 1 1 3 HIS QB . 3 HIS QB 1 1 13 1 2 1 1 3 HIS HD2 . 3 HIS HD2 1 1 14 1 1 1 1 3 HIS HB2 . 3 HIS HB2 1 1 14 1 2 1 1 4 TRP H . 4 TRP H 1 1 15 1 1 1 1 3 HIS HB3 . 3 HIS HB3 1 1 15 1 2 1 1 4 TRP H . 4 TRP H 1 1 16 1 1 1 1 3 HIS HD2 . 3 HIS HD2 1 1 16 1 2 1 1 4 TRP H . 4 TRP H 1 1 17 1 1 1 1 3 HIS HD2 . 3 HIS HD2 1 1 17 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 18 1 1 1 1 4 TRP H . 4 TRP H 1 1 18 1 2 1 1 4 TRP HB3 . 4 TRP HB3 1 1 19 1 1 1 1 4 TRP H . 4 TRP H 1 1 19 1 2 1 1 4 TRP HD1 . 4 TRP HD1 1 1 20 1 1 1 1 4 TRP H . 4 TRP H 1 1 20 1 2 1 1 4 TRP HE1 . 4 TRP HE1 1 1 21 1 1 1 1 4 TRP H . 4 TRP H 1 1 21 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 22 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 22 1 2 1 1 4 TRP HD1 . 4 TRP HD1 1 1 23 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 23 1 2 1 1 5 ALA H . 5 ALA H 1 1 24 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 24 1 2 1 1 5 ALA HA . 5 ALA HA 1 1 25 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 25 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 26 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 26 1 2 1 1 6 VAL H . 6 VAL H 1 1 27 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 27 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 28 1 1 1 1 4 TRP HB2 . 4 TRP HB2 1 1 28 1 2 1 1 4 TRP HE3 . 4 TRP HE3 1 1 29 1 1 1 1 4 TRP HB2 . 4 TRP HB2 1 1 29 1 2 1 1 5 ALA H . 5 ALA H 1 1 30 1 1 1 1 4 TRP HB2 . 4 TRP HB2 1 1 30 1 2 1 1 6 VAL H . 6 VAL H 1 1 31 1 1 1 1 4 TRP HB3 . 4 TRP HB3 1 1 31 1 2 1 1 4 TRP HD1 . 4 TRP HD1 1 1 32 1 1 1 1 4 TRP HB3 . 4 TRP HB3 1 1 32 1 2 1 1 4 TRP HE3 . 4 TRP HE3 1 1 33 1 1 1 1 4 TRP HB3 . 4 TRP HB3 1 1 33 1 2 1 1 6 VAL H . 6 VAL H 1 1 34 1 1 1 1 4 TRP HD1 . 4 TRP HD1 1 1 34 1 2 1 1 5 ALA HA . 5 ALA HA 1 1 35 1 1 1 1 4 TRP HD1 . 4 TRP HD1 1 1 35 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 36 1 1 1 1 4 TRP HE3 . 4 TRP HE3 1 1 36 1 2 1 1 5 ALA H . 5 ALA H 1 1 37 1 1 1 1 4 TRP HE3 . 4 TRP HE3 1 1 37 1 2 1 1 5 ALA HA . 5 ALA HA 1 1 38 1 1 1 1 4 TRP HE3 . 4 TRP HE3 1 1 38 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 39 1 1 1 1 4 TRP HZ3 . 4 TRP HZ3 1 1 39 1 2 1 1 5 ALA H . 5 ALA H 1 1 40 1 1 1 1 4 TRP HZ3 . 4 TRP HZ3 1 1 40 1 2 1 1 5 ALA HA . 5 ALA HA 1 1 41 1 1 1 1 4 TRP HZ3 . 4 TRP HZ3 1 1 41 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 42 1 1 1 1 5 ALA H . 5 ALA H 1 1 42 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 43 1 1 1 1 5 ALA H . 5 ALA H 1 1 43 1 2 1 1 6 VAL H . 6 VAL H 1 1 44 1 1 1 1 5 ALA H . 5 ALA H 1 1 44 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 45 1 1 1 1 5 ALA H . 5 ALA H 1 1 45 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 46 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 46 1 2 1 1 6 VAL H . 6 VAL H 1 1 47 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 47 1 2 1 1 6 VAL HA . 6 VAL HA 1 1 48 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 48 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 49 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 49 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 50 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 50 1 2 1 1 7 GLY H . 7 GLY H 1 1 51 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 51 1 2 1 1 8 HIS HB2 . 8 HIS HB2 1 1 52 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 52 1 2 1 1 8 HIS HD2 . 8 HIS HD2 1 1 53 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 53 1 2 1 1 10 MET ME . 10 MET QE 1 1 54 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 54 1 2 1 1 6 VAL H . 6 VAL H 1 1 55 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 55 1 2 1 1 6 VAL HA . 6 VAL HA 1 1 56 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 56 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 57 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 57 1 2 1 1 7 GLY H . 7 GLY H 1 1 58 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 58 1 2 1 1 8 HIS HB2 . 8 HIS HB2 1 1 59 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 59 1 2 1 1 8 HIS HB3 . 8 HIS HB3 1 1 60 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 60 1 2 1 1 9 LEU HB2 . 9 LEU HB2 1 1 61 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 61 1 2 1 1 10 MET ME . 10 MET QE 1 1 62 1 1 1 1 6 VAL H . 6 VAL H 1 1 62 1 2 1 1 6 VAL HB . 6 VAL HB 1 1 63 1 1 1 1 6 VAL H . 6 VAL H 1 1 63 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 64 1 1 1 1 6 VAL H . 6 VAL H 1 1 64 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 65 1 1 1 1 6 VAL H . 6 VAL H 1 1 65 1 2 1 1 7 GLY H . 7 GLY H 1 1 66 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 66 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 67 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 67 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 68 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 68 1 2 1 1 7 GLY H . 7 GLY H 1 1 69 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 69 1 2 1 1 8 HIS H . 8 HIS H 1 1 70 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 70 1 2 1 1 9 LEU HB2 . 9 LEU HB2 1 1 71 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 71 1 2 1 1 9 LEU HB3 . 9 LEU HB3 1 1 72 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 72 1 2 1 1 10 MET ME . 10 MET QE 1 1 73 1 1 1 1 6 VAL HB . 6 VAL HB 1 1 73 1 2 1 1 7 GLY HA2 . 7 GLY HA2 1 1 74 1 1 1 1 6 VAL MG1 . 6 VAL QG1 1 1 74 1 2 1 1 7 GLY H . 7 GLY H 1 1 75 1 1 1 1 6 VAL MG2 . 6 VAL QG2 1 1 75 1 2 1 1 7 GLY H . 7 GLY H 1 1 76 1 1 1 1 6 VAL MG2 . 6 VAL QG2 1 1 76 1 2 1 1 7 GLY HA2 . 7 GLY HA2 1 1 77 1 1 1 1 6 VAL MG2 . 6 VAL QG2 1 1 77 1 2 1 1 7 GLY HA3 . 7 GLY HA3 1 1 78 1 1 1 1 7 GLY H . 7 GLY H 1 1 78 1 2 1 1 8 HIS H . 8 HIS H 1 1 79 1 1 1 1 7 GLY H . 7 GLY H 1 1 79 1 2 1 1 8 HIS HA . 8 HIS HA 1 1 80 1 1 1 1 7 GLY H . 7 GLY H 1 1 80 1 2 1 1 8 HIS HE1 . 8 HIS HE1 1 1 81 1 1 1 1 7 GLY H . 7 GLY H 1 1 81 1 2 1 1 10 MET ME . 10 MET QE 1 1 82 1 1 1 1 7 GLY HA2 . 7 GLY HA2 1 1 82 1 2 1 1 8 HIS H . 8 HIS H 1 1 83 1 1 1 1 7 GLY HA2 . 7 GLY HA2 1 1 83 1 2 1 1 8 HIS HA . 8 HIS HA 1 1 84 1 1 1 1 7 GLY HA2 . 7 GLY HA2 1 1 84 1 2 1 1 9 LEU H . 9 LEU H 1 1 85 1 1 1 1 7 GLY HA3 . 7 GLY HA3 1 1 85 1 2 1 1 8 HIS HA . 8 HIS HA 1 1 86 1 1 1 1 7 GLY HA3 . 7 GLY HA3 1 1 86 1 2 1 1 8 HIS HD2 . 8 HIS HD2 1 1 87 1 1 1 1 8 HIS H . 8 HIS H 1 1 87 1 2 1 1 8 HIS HB2 . 8 HIS HB2 1 1 88 1 1 1 1 8 HIS H . 8 HIS H 1 1 88 1 2 1 1 8 HIS HB3 . 8 HIS HB3 1 1 89 1 1 1 1 8 HIS H . 8 HIS H 1 1 89 1 2 1 1 8 HIS HD2 . 8 HIS HD2 1 1 90 1 1 1 1 8 HIS H . 8 HIS H 1 1 90 1 2 1 1 9 LEU HB2 . 9 LEU HB2 1 1 91 1 1 1 1 8 HIS HA . 8 HIS HA 1 1 91 1 2 1 1 8 HIS HD2 . 8 HIS HD2 1 1 92 1 1 1 1 8 HIS HB2 . 8 HIS HB2 1 1 92 1 2 1 1 8 HIS HD2 . 8 HIS HD2 1 1 93 1 1 1 1 8 HIS HB2 . 8 HIS HB2 1 1 93 1 2 1 1 9 LEU H . 9 LEU H 1 1 94 1 1 1 1 8 HIS HB2 . 8 HIS HB2 1 1 94 1 2 1 1 9 LEU HA . 9 LEU HA 1 1 95 1 1 1 1 8 HIS HB3 . 8 HIS HB3 1 1 95 1 2 1 1 8 HIS HD2 . 8 HIS HD2 1 1 96 1 1 1 1 8 HIS HB3 . 8 HIS HB3 1 1 96 1 2 1 1 9 LEU H . 9 LEU H 1 1 97 1 1 1 1 8 HIS HB3 . 8 HIS HB3 1 1 97 1 2 1 1 9 LEU HA . 9 LEU HA 1 1 98 1 1 1 1 8 HIS HD2 . 8 HIS HD2 1 1 98 1 2 1 1 9 LEU HB2 . 9 LEU HB2 1 1 99 1 1 1 1 8 HIS HD2 . 8 HIS HD2 1 1 99 1 2 1 1 9 LEU MD1 . 9 LEU QD1 1 1 100 1 1 1 1 9 LEU H . 9 LEU H 1 1 100 1 2 1 1 9 LEU HB2 . 9 LEU HB2 1 1 101 1 1 1 1 9 LEU H . 9 LEU H 1 1 101 1 2 1 1 9 LEU HB3 . 9 LEU HB3 1 1 102 1 1 1 1 9 LEU H . 9 LEU H 1 1 102 1 2 1 1 9 LEU MD1 . 9 LEU QD1 1 1 103 1 1 1 1 9 LEU H . 9 LEU H 1 1 103 1 2 1 1 9 LEU MD2 . 9 LEU QD2 1 1 104 1 1 1 1 9 LEU HA . 9 LEU HA 1 1 104 1 2 1 1 9 LEU MD1 . 9 LEU QD1 1 1 105 1 1 1 1 9 LEU HA . 9 LEU HA 1 1 105 1 2 1 1 9 LEU MD2 . 9 LEU QD2 1 1 106 1 1 1 1 9 LEU HA . 9 LEU HA 1 1 106 1 2 1 1 9 LEU HG . 9 LEU HG 1 1 107 1 1 1 1 9 LEU HB2 . 9 LEU HB2 1 1 107 1 2 1 1 9 LEU MD1 . 9 LEU QD1 1 1 108 1 1 1 1 9 LEU HB2 . 9 LEU HB2 1 1 108 1 2 1 1 9 LEU MD2 . 9 LEU QD2 1 1 109 1 1 1 1 9 LEU HB2 . 9 LEU HB2 1 1 109 1 2 1 1 10 MET H . 10 MET H 1 1 110 1 1 1 1 9 LEU HB2 . 9 LEU HB2 1 1 110 1 2 1 1 10 MET ME . 10 MET QE 1 1 111 1 1 1 1 9 LEU HB3 . 9 LEU HB3 1 1 111 1 2 1 1 10 MET H . 10 MET H 1 1 112 1 1 1 1 10 MET H . 10 MET H 1 1 112 1 2 1 1 10 MET QB . 10 MET QB 1 1 113 1 1 1 1 10 MET H . 10 MET H 1 1 113 1 2 1 1 10 MET ME . 10 MET QE 1 1 114 1 1 1 1 10 MET H . 10 MET H 1 1 114 1 2 1 1 10 MET HG2 . 10 MET HG2 1 1 115 1 1 1 1 10 MET H . 10 MET H 1 1 115 1 2 1 1 10 MET QG . 10 MET QG 1 1 116 1 1 1 1 10 MET H . 10 MET H 1 1 116 1 2 1 1 10 MET HG3 . 10 MET HG3 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 . . . . . . . 3.24 1 1 2 1 . . . . . . . 4.85 1 1 3 1 . . . . . . . 4.36 1 1 4 1 . . . . . . . 4.95 1 1 5 1 . . . . . . . 4.64 1 1 6 1 . . . . . . . 5.01 1 1 7 1 . . . . . . . 4.15 1 1 8 1 . . . . . . . 3.54 1 1 9 1 . . . . . . . 4.15 1 1 10 1 . . . . . . . 4.93 1 1 11 1 . . . . . . . 3.88 1 1 12 1 . . . . . . . 4.06 1 1 13 1 . . . . . . . 3.43 1 1 14 1 . . . . . . . 3.85 1 1 15 1 . . . . . . . 3.85 1 1 16 1 . . . . . . . 5.45 1 1 17 1 . . . . . . . 5.01 1 1 18 1 . . . . . . . 3.06 1 1 19 1 . . . . . . . 3.43 1 1 20 1 . . . . . . . 4.61 1 1 21 1 . . . . . . . 5.5 1 1 22 1 . . . . . . . 4.09 1 1 23 1 . . . . . . . 2.77 1 1 24 1 . . . . . . . 4.9 1 1 25 1 . . . . . . . 4.44 1 1 26 1 . . . . . . . 4.28 1 1 27 1 . . . . . . . 4.67 1 1 28 1 . . . . . . . 3.53 1 1 29 1 . . . . . . . 3.04 1 1 30 1 . . . . . . . 5.15 1 1 31 1 . . . . . . . 3.19 1 1 32 1 . . . . . . . 3.8 1 1 33 1 . . . . . . . 5.5 1 1 34 1 . . . . . . . 5.5 1 1 35 1 . . . . . . . 4.94 1 1 36 1 . . . . . . . 3.83 1 1 37 1 . . . . . . . 4.54 1 1 38 1 . . . . . . . 4.81 1 1 39 1 . . . . . . . 5.5 1 1 40 1 . . . . . . . 5.5 1 1 41 1 . . . . . . . 5.39 1 1 42 1 . . . . . . . 3.16 1 1 43 1 . . . . . . . 3.44 1 1 44 1 . . . . . . . 5.5 1 1 45 1 . . . . . . . 4.87 1 1 46 1 . . . . . . . 3.07 1 1 47 1 . . . . . . . 4.71 1 1 48 1 . . . . . . . 4.7 1 1 49 1 . . . . . . . 5.09 1 1 50 1 . . . . . . . 4.85 1 1 51 1 . . . . . . . 5.1 1 1 52 1 . . . . . . . 4.78 1 1 53 1 . . . . . . . 5.5 1 1 54 1 . . . . . . . 3.76 1 1 55 1 . . . . . . . 4.8 1 1 56 1 . . . . . . . 4.34 1 1 57 1 . . . . . . . 4.86 1 1 58 1 . . . . . . . 4.88 1 1 59 1 . . . . . . . 5.35 1 1 60 1 . . . . . . . 5.45 1 1 61 1 . . . . . . . 4.69 1 1 62 1 . . . . . . . 3.75 1 1 63 1 . . . . . . . 3.25 1 1 64 1 . . . . . . . 3.49 1 1 65 1 . . . . . . . 3.48 1 1 66 1 . . . . . . . 3.41 1 1 67 1 . . . . . . . 3.3 1 1 68 1 . . . . . . . 3.14 1 1 69 1 . . . . . . . 4.25 1 1 70 1 . . . . . . . 4.99 1 1 71 1 . . . . . . . 5.38 1 1 72 1 . . . . . . . 3.48 1 1 73 1 . . . . . . . 4.88 1 1 74 1 . . . . . . . 4.28 1 1 75 1 . . . . . . . 3.85 1 1 76 1 . . . . . . . 4.63 1 1 77 1 . . . . . . . 5.18 1 1 78 1 . . . . . . . 3.35 1 1 79 1 . . . . . . . 4.87 1 1 80 1 . . . . . . . 4.84 1 1 81 1 . . . . . . . 3.78 1 1 82 1 . . . . . . . 3.08 1 1 83 1 . . . . . . . 5.09 1 1 84 1 . . . . . . . 4.93 1 1 85 1 . . . . . . . 5.5 1 1 86 1 . . . . . . . 5.5 1 1 87 1 . . . . . . . 3.45 1 1 88 1 . . . . . . . 3.92 1 1 89 1 . . . . . . . 4.04 1 1 90 1 . . . . . . . 4.56 1 1 91 1 . . . . . . . 4.95 1 1 92 1 . . . . . . . 3.68 1 1 93 1 . . . . . . . 4.04 1 1 94 1 . . . . . . . 4.84 1 1 95 1 . . . . . . . 3.72 1 1 96 1 . . . . . . . 4.04 1 1 97 1 . . . . . . . 4.96 1 1 98 1 . . . . . . . 5.45 1 1 99 1 . . . . . . . 5.24 1 1 100 1 . . . . . . . 3.39 1 1 101 1 . . . . . . . 3.43 1 1 102 1 . . . . . . . 4.83 1 1 103 1 . . . . . . . 4.84 1 1 104 1 . . . . . . . 3.65 1 1 105 1 . . . . . . . 4.57 1 1 106 1 . . . . . . . 4.25 1 1 107 1 . . . . . . . 3.46 1 1 108 1 . . . . . . . 3.42 1 1 109 1 . . . . . . . 4.7 1 1 110 1 . . . . . . . 4.68 1 1 111 1 . . . . . . . 4.24 1 1 112 1 . . . . . . . 3.42 1 1 113 1 . . . . . . . 4.3 1 1 114 1 . . . . . . . 4.77 1 1 115 1 . . . . . . . 4.18 1 1 116 1 . . . . . . . 4.77 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 GLY C C 6.885 4.855 -2.112 1.00 . A A . 1 GLY C 1 1 1 2 1 1 1 GLY CA C 7.986 3.949 -1.597 1.00 . A A . 1 GLY CA 1 1 1 3 1 1 1 GLY H1 H 9.792 4.052 -0.685 1.00 . A A . 1 GLY H1 1 1 1 4 1 1 1 GLY H2 H 9.572 5.179 -1.868 1.00 . A A . 1 GLY H2 1 1 1 5 1 1 1 GLY H3 H 8.825 5.359 -0.409 1.00 . A A . 1 GLY H3 1 1 1 6 1 1 1 GLY HA2 H 8.314 3.301 -2.410 1.00 . A A . 1 GLY HA2 1 1 1 7 1 1 1 GLY HA3 H 7.589 3.332 -0.791 1.00 . A A . 1 GLY HA3 1 1 1 8 1 1 1 GLY N N 9.131 4.691 -1.102 1.00 . A A . 1 GLY N 1 1 1 9 1 1 1 GLY O O 7.099 6.051 -2.309 1.00 . A A . 1 GLY O 1 1 1 10 1 1 2 ASN C C 3.458 5.117 -1.782 1.00 . A A . 2 ASN C 1 1 1 11 1 1 2 ASN CA C 4.567 5.051 -2.828 1.00 . A A . 2 ASN CA 1 1 1 12 1 1 2 ASN CB C 4.030 4.425 -4.117 1.00 . A A . 2 ASN CB 1 1 1 13 1 1 2 ASN CG C 4.889 4.759 -5.322 1.00 . A A . 2 ASN CG 1 1 1 14 1 1 2 ASN H H 5.593 3.298 -2.147 1.00 . A A . 2 ASN H 1 1 1 15 1 1 2 ASN HA H 4.900 6.066 -3.047 1.00 . A A . 2 ASN HA 1 1 1 16 1 1 2 ASN HB2 H 4.003 3.342 -3.996 1.00 . A A . 2 ASN HB2 1 1 1 17 1 1 2 ASN HB3 H 3.017 4.788 -4.292 1.00 . A A . 2 ASN HB3 1 1 1 18 1 1 2 ASN HD21 H 3.545 6.152 -5.936 1.00 . A A . 2 ASN HD21 1 1 1 19 1 1 2 ASN HD22 H 4.955 5.964 -6.955 1.00 . A A . 2 ASN HD22 1 1 1 20 1 1 2 ASN N N 5.705 4.285 -2.330 1.00 . A A . 2 ASN N 1 1 1 21 1 1 2 ASN ND2 N 4.426 5.700 -6.136 1.00 . A A . 2 ASN ND2 1 1 1 22 1 1 2 ASN O O 3.245 4.169 -1.026 1.00 . A A . 2 ASN O 1 1 1 23 1 1 2 ASN OD1 O 5.957 4.176 -5.518 1.00 . A A . 2 ASN OD1 1 1 1 24 1 1 3 HIS C C 0.654 5.297 -0.890 1.00 . A A . 3 HIS C 1 1 1 25 1 1 3 HIS CA C 1.665 6.436 -0.794 1.00 . A A . 3 HIS CA 1 1 1 26 1 1 3 HIS CB C 0.970 7.772 -1.043 1.00 . A A . 3 HIS CB 1 1 1 27 1 1 3 HIS CD2 C -0.372 7.598 1.173 1.00 . A A . 3 HIS CD2 1 1 1 28 1 1 3 HIS CE1 C -2.017 8.940 0.633 1.00 . A A . 3 HIS CE1 1 1 1 29 1 1 3 HIS CG C -0.158 8.060 -0.090 1.00 . A A . 3 HIS CG 1 1 1 30 1 1 3 HIS H H 2.977 6.986 -2.394 1.00 . A A . 3 HIS H 1 1 1 31 1 1 3 HIS HA H 2.083 6.445 0.213 1.00 . A A . 3 HIS HA 1 1 1 32 1 1 3 HIS HB2 H 1.708 8.570 -0.963 1.00 . A A . 3 HIS HB2 1 1 1 33 1 1 3 HIS HB3 H 0.570 7.767 -2.057 1.00 . A A . 3 HIS HB3 1 1 1 34 1 1 3 HIS HD2 H 0.261 6.918 1.724 1.00 . A A . 3 HIS HD2 1 1 1 35 1 1 3 HIS HE1 H -2.929 9.516 0.684 1.00 . A A . 3 HIS HE1 1 1 1 36 1 1 3 HIS HE2 H -1.986 8.020 2.519 1.00 . A A . 3 HIS HE2 1 1 1 37 1 1 3 HIS N N 2.753 6.244 -1.746 1.00 . A A . 3 HIS N 1 1 1 38 1 1 3 HIS ND1 N -1.206 8.906 -0.414 1.00 . A A . 3 HIS ND1 1 1 1 39 1 1 3 HIS NE2 N -1.554 8.165 1.618 1.00 . A A . 3 HIS NE2 1 1 1 40 1 1 3 HIS O O 0.485 4.523 0.053 1.00 . A A . 3 HIS O 1 1 1 41 1 1 4 TRP C C -0.344 2.839 -2.623 1.00 . A A . 4 TRP C 1 1 1 42 1 1 4 TRP CA C -1.011 4.158 -2.250 1.00 . A A . 4 TRP CA 1 1 1 43 1 1 4 TRP CB C -1.989 4.578 -3.349 1.00 . A A . 4 TRP CB 1 1 1 44 1 1 4 TRP CD1 C -0.188 4.694 -5.168 1.00 . A A . 4 TRP CD1 1 1 1 45 1 1 4 TRP CD2 C -2.143 3.850 -5.862 1.00 . A A . 4 TRP CD2 1 1 1 46 1 1 4 TRP CE2 C -1.246 3.860 -6.948 1.00 . A A . 4 TRP CE2 1 1 1 47 1 1 4 TRP CE3 C -3.437 3.362 -6.060 1.00 . A A . 4 TRP CE3 1 1 1 48 1 1 4 TRP CG C -1.445 4.389 -4.732 1.00 . A A . 4 TRP CG 1 1 1 49 1 1 4 TRP CH2 C -2.879 2.926 -8.377 1.00 . A A . 4 TRP CH2 1 1 1 50 1 1 4 TRP CZ2 C -1.606 3.399 -8.212 1.00 . A A . 4 TRP CZ2 1 1 1 51 1 1 4 TRP CZ3 C -3.791 2.905 -7.315 1.00 . A A . 4 TRP CZ3 1 1 1 52 1 1 4 TRP H H 0.168 5.869 -2.768 1.00 . A A . 4 TRP H 1 1 1 53 1 1 4 TRP HA H -1.570 4.014 -1.325 1.00 . A A . 4 TRP HA 1 1 1 54 1 1 4 TRP HB2 H -2.903 3.993 -3.248 1.00 . A A . 4 TRP HB2 1 1 1 55 1 1 4 TRP HB3 H -2.229 5.632 -3.213 1.00 . A A . 4 TRP HB3 1 1 1 56 1 1 4 TRP HD1 H 0.593 5.121 -4.556 1.00 . A A . 4 TRP HD1 1 1 1 57 1 1 4 TRP HE1 H 0.770 4.507 -7.058 1.00 . A A . 4 TRP HE1 1 1 1 58 1 1 4 TRP HE3 H -4.148 3.342 -5.247 1.00 . A A . 4 TRP HE3 1 1 1 59 1 1 4 TRP HH2 H -3.187 2.561 -9.346 1.00 . A A . 4 TRP HH2 1 1 1 60 1 1 4 TRP HZ2 H -0.905 3.414 -9.033 1.00 . A A . 4 TRP HZ2 1 1 1 61 1 1 4 TRP HZ3 H -4.788 2.525 -7.480 1.00 . A A . 4 TRP HZ3 1 1 1 62 1 1 4 TRP N N -0.016 5.202 -2.032 1.00 . A A . 4 TRP N 1 1 1 63 1 1 4 TRP NE1 N -0.062 4.378 -6.500 1.00 . A A . 4 TRP NE1 1 1 1 64 1 1 4 TRP O O 0.872 2.693 -2.504 1.00 . A A . 4 TRP O 1 1 1 65 1 1 5 ALA C C -0.055 -0.170 -2.270 1.00 . A A . 5 ALA C 1 1 1 66 1 1 5 ALA CA C -0.633 0.575 -3.468 1.00 . A A . 5 ALA CA 1 1 1 67 1 1 5 ALA CB C 0.420 0.728 -4.556 1.00 . A A . 5 ALA CB 1 1 1 68 1 1 5 ALA H H -2.138 2.064 -3.151 1.00 . A A . 5 ALA H 1 1 1 69 1 1 5 ALA HA H -1.459 -0.012 -3.870 1.00 . A A . 5 ALA HA 1 1 1 70 1 1 5 ALA HB1 H 0.250 -0.016 -5.334 1.00 . A A . 5 ALA HB1 1 1 1 71 1 1 5 ALA HB2 H 0.354 1.727 -4.988 1.00 . A A . 5 ALA HB2 1 1 1 72 1 1 5 ALA HB3 H 1.411 0.583 -4.126 1.00 . A A . 5 ALA HB3 1 1 1 73 1 1 5 ALA N N -1.147 1.882 -3.076 1.00 . A A . 5 ALA N 1 1 1 74 1 1 5 ALA O O 0.889 -0.948 -2.407 1.00 . A A . 5 ALA O 1 1 1 75 1 1 6 VAL C C -0.989 -1.822 0.429 1.00 . A A . 6 VAL C 1 1 1 76 1 1 6 VAL CA C -0.168 -0.574 0.129 1.00 . A A . 6 VAL CA 1 1 1 77 1 1 6 VAL CB C -0.244 0.382 1.331 1.00 . A A . 6 VAL CB 1 1 1 78 1 1 6 VAL CG1 C 0.599 1.624 1.083 1.00 . A A . 6 VAL CG1 1 1 1 79 1 1 6 VAL CG2 C -1.688 0.757 1.624 1.00 . A A . 6 VAL CG2 1 1 1 80 1 1 6 VAL H H -1.396 0.727 -1.048 1.00 . A A . 6 VAL H 1 1 1 81 1 1 6 VAL HA H 0.872 -0.871 -0.008 1.00 . A A . 6 VAL HA 1 1 1 82 1 1 6 VAL HB H 0.158 -0.134 2.203 1.00 . A A . 6 VAL HB 1 1 1 83 1 1 6 VAL HG11 H 1.628 1.330 0.876 1.00 . A A . 6 VAL HG11 1 1 1 84 1 1 6 VAL HG12 H 0.198 2.170 0.229 1.00 . A A . 6 VAL HG12 1 1 1 85 1 1 6 VAL HG13 H 0.574 2.262 1.966 1.00 . A A . 6 VAL HG13 1 1 1 86 1 1 6 VAL HG21 H -2.271 -0.148 1.798 1.00 . A A . 6 VAL HG21 1 1 1 87 1 1 6 VAL HG22 H -2.102 1.298 0.773 1.00 . A A . 6 VAL HG22 1 1 1 88 1 1 6 VAL HG23 H -1.726 1.390 2.511 1.00 . A A . 6 VAL HG23 1 1 1 89 1 1 6 VAL N N -0.626 0.075 -1.095 1.00 . A A . 6 VAL N 1 1 1 90 1 1 6 VAL O O -1.074 -2.260 1.577 1.00 . A A . 6 VAL O 1 1 1 91 1 1 7 GLY C C -2.086 -4.655 -1.458 1.00 . A A . 7 GLY C 1 1 1 92 1 1 7 GLY CA C -2.403 -3.584 -0.433 1.00 . A A . 7 GLY CA 1 1 1 93 1 1 7 GLY H H -1.492 -1.989 -1.529 1.00 . A A . 7 GLY H 1 1 1 94 1 1 7 GLY HA2 H -2.229 -3.986 0.565 1.00 . A A . 7 GLY HA2 1 1 1 95 1 1 7 GLY HA3 H -3.454 -3.311 -0.526 1.00 . A A . 7 GLY HA3 1 1 1 96 1 1 7 GLY N N -1.595 -2.391 -0.608 1.00 . A A . 7 GLY N 1 1 1 97 1 1 7 GLY O O -2.983 -5.348 -1.940 1.00 . A A . 7 GLY O 1 1 1 98 1 1 8 HIS C C 0.902 -6.477 -2.311 1.00 . A A . 8 HIS C 1 1 1 99 1 1 8 HIS CA C -0.375 -5.782 -2.772 1.00 . A A . 8 HIS CA 1 1 1 100 1 1 8 HIS CB C -0.147 -5.123 -4.134 1.00 . A A . 8 HIS CB 1 1 1 101 1 1 8 HIS CD2 C -1.179 -2.853 -4.863 1.00 . A A . 8 HIS CD2 1 1 1 102 1 1 8 HIS CE1 C -3.268 -3.494 -4.973 1.00 . A A . 8 HIS CE1 1 1 1 103 1 1 8 HIS CG C -1.246 -4.173 -4.527 1.00 . A A . 8 HIS CG 1 1 1 104 1 1 8 HIS H H -0.119 -4.190 -1.364 1.00 . A A . 8 HIS H 1 1 1 105 1 1 8 HIS HA H -1.160 -6.532 -2.876 1.00 . A A . 8 HIS HA 1 1 1 106 1 1 8 HIS HB2 H 0.796 -4.578 -4.107 1.00 . A A . 8 HIS HB2 1 1 1 107 1 1 8 HIS HB3 H -0.080 -5.905 -4.890 1.00 . A A . 8 HIS HB3 1 1 1 108 1 1 8 HIS HD2 H -0.287 -2.245 -4.904 1.00 . A A . 8 HIS HD2 1 1 1 109 1 1 8 HIS HE1 H -4.338 -3.481 -5.120 1.00 . A A . 8 HIS HE1 1 1 1 110 1 1 8 HIS HE2 H -2.753 -1.512 -5.420 1.00 . A A . 8 HIS HE2 1 1 1 111 1 1 8 HIS N N -0.808 -4.790 -1.795 1.00 . A A . 8 HIS N 1 1 1 112 1 1 8 HIS ND1 N -2.573 -4.560 -4.602 1.00 . A A . 8 HIS ND1 1 1 1 113 1 1 8 HIS NE2 N -2.469 -2.440 -5.141 1.00 . A A . 8 HIS NE2 1 1 1 114 1 1 8 HIS O O 0.963 -7.706 -2.241 1.00 . A A . 8 HIS O 1 1 1 115 1 1 9 LEU C C 3.056 -6.882 -0.176 1.00 . A A . 9 LEU C 1 1 1 116 1 1 9 LEU CA C 3.199 -6.224 -1.544 1.00 . A A . 9 LEU CA 1 1 1 117 1 1 9 LEU CB C 4.250 -5.114 -1.483 1.00 . A A . 9 LEU CB 1 1 1 118 1 1 9 LEU CD1 C 5.626 -4.993 -3.573 1.00 . A A . 9 LEU CD1 1 1 1 119 1 1 9 LEU CD2 C 6.729 -4.771 -1.340 1.00 . A A . 9 LEU CD2 1 1 1 120 1 1 9 LEU CG C 5.602 -5.434 -2.119 1.00 . A A . 9 LEU CG 1 1 1 121 1 1 9 LEU H H 1.809 -4.683 -2.076 1.00 . A A . 9 LEU H 1 1 1 122 1 1 9 LEU HA H 3.531 -6.977 -2.258 1.00 . A A . 9 LEU HA 1 1 1 123 1 1 9 LEU HB2 H 3.842 -4.240 -1.991 1.00 . A A . 9 LEU HB2 1 1 1 124 1 1 9 LEU HB3 H 4.416 -4.856 -0.437 1.00 . A A . 9 LEU HB3 1 1 1 125 1 1 9 LEU HD11 H 4.813 -5.478 -4.114 1.00 . A A . 9 LEU HD11 1 1 1 126 1 1 9 LEU HD12 H 5.504 -3.911 -3.626 1.00 . A A . 9 LEU HD12 1 1 1 127 1 1 9 LEU HD13 H 6.579 -5.273 -4.022 1.00 . A A . 9 LEU HD13 1 1 1 128 1 1 9 LEU HD21 H 6.695 -5.099 -0.301 1.00 . A A . 9 LEU HD21 1 1 1 129 1 1 9 LEU HD22 H 7.687 -5.051 -1.778 1.00 . A A . 9 LEU HD22 1 1 1 130 1 1 9 LEU HD23 H 6.612 -3.688 -1.383 1.00 . A A . 9 LEU HD23 1 1 1 131 1 1 9 LEU HG H 5.750 -6.513 -2.085 1.00 . A A . 9 LEU HG 1 1 1 132 1 1 9 LEU N N 1.921 -5.684 -1.998 1.00 . A A . 9 LEU N 1 1 1 133 1 1 9 LEU O O 3.549 -7.987 0.046 1.00 . A A . 9 LEU O 1 1 1 134 1 1 10 MET C C 0.686 -6.717 2.441 1.00 . A A . 10 MET C 1 1 1 135 1 1 10 MET CA C 2.168 -6.716 2.084 1.00 . A A . 10 MET CA 1 1 1 136 1 1 10 MET CB C 2.949 -5.884 3.103 1.00 . A A . 10 MET CB 1 1 1 137 1 1 10 MET CE C 2.431 -2.736 0.883 1.00 . A A . 10 MET CE 1 1 1 138 1 1 10 MET CG C 2.586 -4.407 3.089 1.00 . A A . 10 MET CG 1 1 1 139 1 1 10 MET H H 2.001 -5.290 0.495 1.00 . A A . 10 MET H 1 1 1 140 1 1 10 MET HA H 2.534 -7.742 2.120 1.00 . A A . 10 MET HA 1 1 1 141 1 1 10 MET HB2 H 2.746 -6.279 4.098 1.00 . A A . 10 MET HB2 1 1 1 142 1 1 10 MET HB3 H 4.014 -5.985 2.896 1.00 . A A . 10 MET HB3 1 1 1 143 1 1 10 MET HE1 H 2.934 -2.110 0.146 1.00 . A A . 10 MET HE1 1 1 1 144 1 1 10 MET HE2 H 1.895 -3.538 0.374 1.00 . A A . 10 MET HE2 1 1 1 145 1 1 10 MET HE3 H 1.725 -2.131 1.452 1.00 . A A . 10 MET HE3 1 1 1 146 1 1 10 MET HG2 H 1.551 -4.300 2.764 1.00 . A A . 10 MET HG2 1 1 1 147 1 1 10 MET HG3 H 2.681 -4.015 4.102 1.00 . A A . 10 MET HG3 1 1 1 148 1 1 10 MET N N 2.379 -6.195 0.738 1.00 . A A . 10 MET N 1 1 1 149 1 1 10 MET O O -0.084 -5.891 1.946 1.00 . A A . 10 MET O 1 1 1 150 1 1 10 MET SD S 3.645 -3.442 1.996 1.00 . A A . 10 MET SD 1 1 2 151 1 1 1 GLY C C 6.916 6.013 -1.805 1.00 . A A . 1 GLY C 1 1 2 152 1 1 1 GLY CA C 8.252 5.642 -1.194 1.00 . A A . 1 GLY CA 1 1 2 153 1 1 1 GLY H1 H 10.175 6.278 -1.132 1.00 . A A . 1 GLY H1 1 1 2 154 1 1 1 GLY H2 H 9.416 6.572 -2.566 1.00 . A A . 1 GLY H2 1 1 2 155 1 1 1 GLY H3 H 9.068 7.495 -1.245 1.00 . A A . 1 GLY H3 1 1 2 156 1 1 1 GLY HA2 H 8.527 4.641 -1.525 1.00 . A A . 1 GLY HA2 1 1 2 157 1 1 1 GLY HA3 H 8.151 5.641 -0.109 1.00 . A A . 1 GLY HA3 1 1 2 158 1 1 1 GLY N N 9.308 6.567 -1.562 1.00 . A A . 1 GLY N 1 1 2 159 1 1 1 GLY O O 6.636 7.190 -2.034 1.00 . A A . 1 GLY O 1 1 2 160 1 1 2 ASN C C 3.700 5.313 -1.586 1.00 . A A . 2 ASN C 1 1 2 161 1 1 2 ASN CA C 4.776 5.235 -2.663 1.00 . A A . 2 ASN CA 1 1 2 162 1 1 2 ASN CB C 4.440 4.118 -3.654 1.00 . A A . 2 ASN CB 1 1 2 163 1 1 2 ASN CG C 4.645 2.737 -3.061 1.00 . A A . 2 ASN CG 1 1 2 164 1 1 2 ASN H H 6.379 4.063 -1.861 1.00 . A A . 2 ASN H 1 1 2 165 1 1 2 ASN HA H 4.797 6.182 -3.202 1.00 . A A . 2 ASN HA 1 1 2 166 1 1 2 ASN HB2 H 3.397 4.219 -3.954 1.00 . A A . 2 ASN HB2 1 1 2 167 1 1 2 ASN HB3 H 5.074 4.223 -4.535 1.00 . A A . 2 ASN HB3 1 1 2 168 1 1 2 ASN HD21 H 6.395 2.528 -4.070 1.00 . A A . 2 ASN HD21 1 1 2 169 1 1 2 ASN HD22 H 5.938 1.171 -3.065 1.00 . A A . 2 ASN HD22 1 1 2 170 1 1 2 ASN N N 6.090 5.008 -2.072 1.00 . A A . 2 ASN N 1 1 2 171 1 1 2 ASN ND2 N 5.747 2.094 -3.428 1.00 . A A . 2 ASN ND2 1 1 2 172 1 1 2 ASN O O 3.717 4.549 -0.620 1.00 . A A . 2 ASN O 1 1 2 173 1 1 2 ASN OD1 O 3.822 2.257 -2.282 1.00 . A A . 2 ASN OD1 1 1 2 174 1 1 3 HIS C C 0.672 5.275 -0.900 1.00 . A A . 3 HIS C 1 1 2 175 1 1 3 HIS CA C 1.678 6.418 -0.800 1.00 . A A . 3 HIS CA 1 1 2 176 1 1 3 HIS CB C 0.974 7.753 -1.035 1.00 . A A . 3 HIS CB 1 1 2 177 1 1 3 HIS CD2 C -0.085 7.624 1.333 1.00 . A A . 3 HIS CD2 1 1 2 178 1 1 3 HIS CE1 C -1.277 9.458 1.227 1.00 . A A . 3 HIS CE1 1 1 2 179 1 1 3 HIS CG C 0.113 8.202 0.114 1.00 . A A . 3 HIS CG 1 1 2 180 1 1 3 HIS H H 2.804 6.836 -2.571 1.00 . A A . 3 HIS H 1 1 2 181 1 1 3 HIS HA H 2.100 6.421 0.205 1.00 . A A . 3 HIS HA 1 1 2 182 1 1 3 HIS HB2 H 1.734 8.514 -1.212 1.00 . A A . 3 HIS HB2 1 1 2 183 1 1 3 HIS HB3 H 0.351 7.668 -1.926 1.00 . A A . 3 HIS HB3 1 1 2 184 1 1 3 HIS HD2 H 0.363 6.708 1.690 1.00 . A A . 3 HIS HD2 1 1 2 185 1 1 3 HIS HE1 H -1.949 10.261 1.492 1.00 . A A . 3 HIS HE1 1 1 2 186 1 1 3 HIS HE2 H -1.316 8.277 2.962 1.00 . A A . 3 HIS HE2 1 1 2 187 1 1 3 HIS N N 2.763 6.240 -1.757 1.00 . A A . 3 HIS N 1 1 2 188 1 1 3 HIS ND1 N -0.648 9.358 0.066 1.00 . A A . 3 HIS ND1 1 1 2 189 1 1 3 HIS NE2 N -0.969 8.433 2.026 1.00 . A A . 3 HIS NE2 1 1 2 190 1 1 3 HIS O O 0.534 4.474 0.025 1.00 . A A . 3 HIS O 1 1 2 191 1 1 4 TRP C C -0.351 2.844 -2.618 1.00 . A A . 4 TRP C 1 1 2 192 1 1 4 TRP CA C -1.021 4.162 -2.247 1.00 . A A . 4 TRP CA 1 1 2 193 1 1 4 TRP CB C -1.996 4.580 -3.348 1.00 . A A . 4 TRP CB 1 1 2 194 1 1 4 TRP CD1 C -0.190 4.699 -5.162 1.00 . A A . 4 TRP CD1 1 1 2 195 1 1 4 TRP CD2 C -2.143 3.853 -5.861 1.00 . A A . 4 TRP CD2 1 1 2 196 1 1 4 TRP CE2 C -1.243 3.863 -6.945 1.00 . A A . 4 TRP CE2 1 1 2 197 1 1 4 TRP CE3 C -3.435 3.363 -6.063 1.00 . A A . 4 TRP CE3 1 1 2 198 1 1 4 TRP CG C -1.448 4.392 -4.731 1.00 . A A . 4 TRP CG 1 1 2 199 1 1 4 TRP CH2 C -2.870 2.928 -8.379 1.00 . A A . 4 TRP CH2 1 1 2 200 1 1 4 TRP CZ2 C -1.598 3.402 -8.211 1.00 . A A . 4 TRP CZ2 1 1 2 201 1 1 4 TRP CZ3 C -3.786 2.905 -7.319 1.00 . A A . 4 TRP CZ3 1 1 2 202 1 1 4 TRP H H 0.133 5.894 -2.748 1.00 . A A . 4 TRP H 1 1 2 203 1 1 4 TRP HA H -1.582 4.017 -1.324 1.00 . A A . 4 TRP HA 1 1 2 204 1 1 4 TRP HB2 H -2.910 3.994 -3.249 1.00 . A A . 4 TRP HB2 1 1 2 205 1 1 4 TRP HB3 H -2.238 5.634 -3.213 1.00 . A A . 4 TRP HB3 1 1 2 206 1 1 4 TRP HD1 H 0.588 5.126 -4.547 1.00 . A A . 4 TRP HD1 1 1 2 207 1 1 4 TRP HE1 H 0.773 4.515 -7.048 1.00 . A A . 4 TRP HE1 1 1 2 208 1 1 4 TRP HE3 H -4.148 3.342 -5.252 1.00 . A A . 4 TRP HE3 1 1 2 209 1 1 4 TRP HH2 H -3.175 2.564 -9.349 1.00 . A A . 4 TRP HH2 1 1 2 210 1 1 4 TRP HZ2 H -0.894 3.418 -9.030 1.00 . A A . 4 TRP HZ2 1 1 2 211 1 1 4 TRP HZ3 H -4.782 2.523 -7.486 1.00 . A A . 4 TRP HZ3 1 1 2 212 1 1 4 TRP N N -0.027 5.206 -2.026 1.00 . A A . 4 TRP N 1 1 2 213 1 1 4 TRP NE1 N -0.060 4.384 -6.493 1.00 . A A . 4 TRP NE1 1 1 2 214 1 1 4 TRP O O 0.865 2.698 -2.496 1.00 . A A . 4 TRP O 1 1 2 215 1 1 5 ALA C C -0.060 -0.165 -2.264 1.00 . A A . 5 ALA C 1 1 2 216 1 1 5 ALA CA C -0.635 0.580 -3.464 1.00 . A A . 5 ALA CA 1 1 2 217 1 1 5 ALA CB C 0.420 0.733 -4.550 1.00 . A A . 5 ALA CB 1 1 2 218 1 1 5 ALA H H -2.144 2.067 -3.150 1.00 . A A . 5 ALA H 1 1 2 219 1 1 5 ALA HA H -1.459 -0.008 -3.868 1.00 . A A . 5 ALA HA 1 1 2 220 1 1 5 ALA HB1 H 0.252 -0.011 -5.328 1.00 . A A . 5 ALA HB1 1 1 2 221 1 1 5 ALA HB2 H 1.410 0.588 -4.117 1.00 . A A . 5 ALA HB2 1 1 2 222 1 1 5 ALA HB3 H 0.355 1.732 -4.982 1.00 . A A . 5 ALA HB3 1 1 2 223 1 1 5 ALA N N -1.153 1.886 -3.073 1.00 . A A . 5 ALA N 1 1 2 224 1 1 5 ALA O O 0.888 -0.941 -2.399 1.00 . A A . 5 ALA O 1 1 2 225 1 1 6 VAL C C -0.999 -1.822 0.429 1.00 . A A . 6 VAL C 1 1 2 226 1 1 6 VAL CA C -0.181 -0.572 0.134 1.00 . A A . 6 VAL CA 1 1 2 227 1 1 6 VAL CB C -0.264 0.383 1.338 1.00 . A A . 6 VAL CB 1 1 2 228 1 1 6 VAL CG1 C 0.566 1.633 1.088 1.00 . A A . 6 VAL CG1 1 1 2 229 1 1 6 VAL CG2 C -1.712 0.744 1.631 1.00 . A A . 6 VAL CG2 1 1 2 230 1 1 6 VAL H H -1.408 0.726 -1.048 1.00 . A A . 6 VAL H 1 1 2 231 1 1 6 VAL HA H 0.860 -0.867 0.001 1.00 . A A . 6 VAL HA 1 1 2 232 1 1 6 VAL HB H 0.144 -0.129 2.209 1.00 . A A . 6 VAL HB 1 1 2 233 1 1 6 VAL HG11 H 1.598 1.349 0.881 1.00 . A A . 6 VAL HG11 1 1 2 234 1 1 6 VAL HG12 H 0.160 2.174 0.233 1.00 . A A . 6 VAL HG12 1 1 2 235 1 1 6 VAL HG13 H 0.535 2.272 1.970 1.00 . A A . 6 VAL HG13 1 1 2 236 1 1 6 VAL HG21 H -1.753 1.420 2.485 1.00 . A A . 6 VAL HG21 1 1 2 237 1 1 6 VAL HG22 H -2.148 1.233 0.760 1.00 . A A . 6 VAL HG22 1 1 2 238 1 1 6 VAL HG23 H -2.274 -0.162 1.858 1.00 . A A . 6 VAL HG23 1 1 2 239 1 1 6 VAL N N -0.636 0.077 -1.092 1.00 . A A . 6 VAL N 1 1 2 240 1 1 6 VAL O O -1.084 -2.264 1.576 1.00 . A A . 6 VAL O 1 1 2 241 1 1 7 GLY C C -2.082 -4.655 -1.465 1.00 . A A . 7 GLY C 1 1 2 242 1 1 7 GLY CA C -2.406 -3.587 -0.439 1.00 . A A . 7 GLY CA 1 1 2 243 1 1 7 GLY H H -1.495 -1.987 -1.530 1.00 . A A . 7 GLY H 1 1 2 244 1 1 7 GLY HA2 H -2.234 -3.990 0.559 1.00 . A A . 7 GLY HA2 1 1 2 245 1 1 7 GLY HA3 H -3.458 -3.317 -0.536 1.00 . A A . 7 GLY HA3 1 1 2 246 1 1 7 GLY N N -1.600 -2.391 -0.610 1.00 . A A . 7 GLY N 1 1 2 247 1 1 7 GLY O O -2.975 -5.350 -1.951 1.00 . A A . 7 GLY O 1 1 2 248 1 1 8 HIS C C 0.916 -6.469 -2.306 1.00 . A A . 8 HIS C 1 1 2 249 1 1 8 HIS CA C -0.362 -5.777 -2.772 1.00 . A A . 8 HIS CA 1 1 2 250 1 1 8 HIS CB C -0.130 -5.115 -4.133 1.00 . A A . 8 HIS CB 1 1 2 251 1 1 8 HIS CD2 C -1.164 -2.848 -4.862 1.00 . A A . 8 HIS CD2 1 1 2 252 1 1 8 HIS CE1 C -3.253 -3.495 -4.982 1.00 . A A . 8 HIS CE1 1 1 2 253 1 1 8 HIS CG C -1.228 -4.168 -4.529 1.00 . A A . 8 HIS CG 1 1 2 254 1 1 8 HIS H H -0.117 -4.185 -1.361 1.00 . A A . 8 HIS H 1 1 2 255 1 1 8 HIS HA H -1.144 -6.529 -2.880 1.00 . A A . 8 HIS HA 1 1 2 256 1 1 8 HIS HB2 H 0.807 -4.560 -4.092 1.00 . A A . 8 HIS HB2 1 1 2 257 1 1 8 HIS HB3 H -0.045 -5.892 -4.892 1.00 . A A . 8 HIS HB3 1 1 2 258 1 1 8 HIS HD2 H -0.274 -2.237 -4.897 1.00 . A A . 8 HIS HD2 1 1 2 259 1 1 8 HIS HE1 H -4.323 -3.485 -5.131 1.00 . A A . 8 HIS HE1 1 1 2 260 1 1 8 HIS HE2 H -2.740 -1.510 -5.427 1.00 . A A . 8 HIS HE2 1 1 2 261 1 1 8 HIS N N -0.802 -4.786 -1.796 1.00 . A A . 8 HIS N 1 1 2 262 1 1 8 HIS ND1 N -2.555 -4.559 -4.611 1.00 . A A . 8 HIS ND1 1 1 2 263 1 1 8 HIS NE2 N -2.455 -2.437 -5.147 1.00 . A A . 8 HIS NE2 1 1 2 264 1 1 8 HIS O O 0.983 -7.698 -2.249 1.00 . A A . 8 HIS O 1 1 2 265 1 1 9 LEU C C 3.058 -6.856 -0.141 1.00 . A A . 9 LEU C 1 1 2 266 1 1 9 LEU CA C 3.203 -6.210 -1.515 1.00 . A A . 9 LEU CA 1 1 2 267 1 1 9 LEU CB C 4.255 -5.100 -1.461 1.00 . A A . 9 LEU CB 1 1 2 268 1 1 9 LEU CD1 C 5.613 -5.040 -3.568 1.00 . A A . 9 LEU CD1 1 1 2 269 1 1 9 LEU CD2 C 6.730 -4.718 -1.353 1.00 . A A . 9 LEU CD2 1 1 2 270 1 1 9 LEU CG C 5.607 -5.426 -2.097 1.00 . A A . 9 LEU CG 1 1 2 271 1 1 9 LEU H H 1.810 -4.673 -2.046 1.00 . A A . 9 LEU H 1 1 2 272 1 1 9 LEU HA H 3.536 -6.970 -2.222 1.00 . A A . 9 LEU HA 1 1 2 273 1 1 9 LEU HB2 H 3.847 -4.229 -1.973 1.00 . A A . 9 LEU HB2 1 1 2 274 1 1 9 LEU HB3 H 4.422 -4.836 -0.417 1.00 . A A . 9 LEU HB3 1 1 2 275 1 1 9 LEU HD11 H 4.803 -5.556 -4.083 1.00 . A A . 9 LEU HD11 1 1 2 276 1 1 9 LEU HD12 H 6.566 -5.324 -4.014 1.00 . A A . 9 LEU HD12 1 1 2 277 1 1 9 LEU HD13 H 5.475 -3.963 -3.662 1.00 . A A . 9 LEU HD13 1 1 2 278 1 1 9 LEU HD21 H 6.709 -5.007 -0.302 1.00 . A A . 9 LEU HD21 1 1 2 279 1 1 9 LEU HD22 H 7.689 -5.001 -1.788 1.00 . A A . 9 LEU HD22 1 1 2 280 1 1 9 LEU HD23 H 6.597 -3.639 -1.436 1.00 . A A . 9 LEU HD23 1 1 2 281 1 1 9 LEU HG H 5.771 -6.501 -2.023 1.00 . A A . 9 LEU HG 1 1 2 282 1 1 9 LEU N N 1.927 -5.674 -1.976 1.00 . A A . 9 LEU N 1 1 2 283 1 1 9 LEU O O 3.453 -8.004 0.060 1.00 . A A . 9 LEU O 1 1 2 284 1 1 10 MET C C 0.806 -6.620 2.518 1.00 . A A . 10 MET C 1 1 2 285 1 1 10 MET CA C 2.287 -6.614 2.155 1.00 . A A . 10 MET CA 1 1 2 286 1 1 10 MET CB C 3.067 -5.761 3.158 1.00 . A A . 10 MET CB 1 1 2 287 1 1 10 MET CE C 2.516 -2.650 0.885 1.00 . A A . 10 MET CE 1 1 2 288 1 1 10 MET CG C 2.705 -4.286 3.113 1.00 . A A . 10 MET CG 1 1 2 289 1 1 10 MET H H 2.184 -5.175 0.572 1.00 . A A . 10 MET H 1 1 2 290 1 1 10 MET HA H 2.661 -7.637 2.204 1.00 . A A . 10 MET HA 1 1 2 291 1 1 10 MET HB2 H 2.863 -6.135 4.161 1.00 . A A . 10 MET HB2 1 1 2 292 1 1 10 MET HB3 H 4.133 -5.867 2.955 1.00 . A A . 10 MET HB3 1 1 2 293 1 1 10 MET HE1 H 3.007 -2.041 0.126 1.00 . A A . 10 MET HE1 1 1 2 294 1 1 10 MET HE2 H 1.962 -3.455 0.402 1.00 . A A . 10 MET HE2 1 1 2 295 1 1 10 MET HE3 H 1.829 -2.030 1.460 1.00 . A A . 10 MET HE3 1 1 2 296 1 1 10 MET HG2 H 1.666 -4.186 2.801 1.00 . A A . 10 MET HG2 1 1 2 297 1 1 10 MET HG3 H 2.815 -3.869 4.114 1.00 . A A . 10 MET HG3 1 1 2 298 1 1 10 MET N N 2.487 -6.111 0.800 1.00 . A A . 10 MET N 1 1 2 299 1 1 10 MET O O 0.433 -6.311 3.651 1.00 . A A . 10 MET O 1 1 2 300 1 1 10 MET SD S 3.749 -3.348 1.980 1.00 . A A . 10 MET SD 1 1 3 301 1 1 1 GLY C C 6.595 5.738 -1.403 1.00 . A A . 1 GLY C 1 1 3 302 1 1 1 GLY CA C 7.903 5.359 -0.737 1.00 . A A . 1 GLY CA 1 1 3 303 1 1 1 GLY H1 H 9.904 5.504 -1.021 1.00 . A A . 1 GLY H1 1 1 3 304 1 1 1 GLY H2 H 9.047 6.783 -1.613 1.00 . A A . 1 GLY H2 1 1 3 305 1 1 1 GLY H3 H 9.038 5.342 -2.415 1.00 . A A . 1 GLY H3 1 1 3 306 1 1 1 GLY HA2 H 7.935 4.276 -0.621 1.00 . A A . 1 GLY HA2 1 1 3 307 1 1 1 GLY HA3 H 7.945 5.822 0.249 1.00 . A A . 1 GLY HA3 1 1 3 308 1 1 1 GLY N N 9.061 5.779 -1.505 1.00 . A A . 1 GLY N 1 1 3 309 1 1 1 GLY O O 6.208 6.905 -1.407 1.00 . A A . 1 GLY O 1 1 3 310 1 1 2 ASN C C 3.507 5.113 -1.637 1.00 . A A . 2 ASN C 1 1 3 311 1 1 2 ASN CA C 4.643 4.982 -2.646 1.00 . A A . 2 ASN CA 1 1 3 312 1 1 2 ASN CB C 4.344 3.845 -3.624 1.00 . A A . 2 ASN CB 1 1 3 313 1 1 2 ASN CG C 5.398 3.721 -4.707 1.00 . A A . 2 ASN CG 1 1 3 314 1 1 2 ASN H H 6.286 3.809 -1.932 1.00 . A A . 2 ASN H 1 1 3 315 1 1 2 ASN HA H 4.716 5.913 -3.208 1.00 . A A . 2 ASN HA 1 1 3 316 1 1 2 ASN HB2 H 4.301 2.908 -3.069 1.00 . A A . 2 ASN HB2 1 1 3 317 1 1 2 ASN HB3 H 3.376 4.025 -4.091 1.00 . A A . 2 ASN HB3 1 1 3 318 1 1 2 ASN HD21 H 5.761 1.793 -4.181 1.00 . A A . 2 ASN HD21 1 1 3 319 1 1 2 ASN HD22 H 6.719 2.405 -5.512 1.00 . A A . 2 ASN HD22 1 1 3 320 1 1 2 ASN N N 5.914 4.747 -1.970 1.00 . A A . 2 ASN N 1 1 3 321 1 1 2 ASN ND2 N 6.008 2.546 -4.808 1.00 . A A . 2 ASN ND2 1 1 3 322 1 1 2 ASN O O 3.297 4.230 -0.804 1.00 . A A . 2 ASN O 1 1 3 323 1 1 2 ASN OD1 O 5.660 4.671 -5.445 1.00 . A A . 2 ASN OD1 1 1 3 324 1 1 3 HIS C C 0.635 5.338 -0.891 1.00 . A A . 3 HIS C 1 1 3 325 1 1 3 HIS CA C 1.660 6.465 -0.810 1.00 . A A . 3 HIS CA 1 1 3 326 1 1 3 HIS CB C 0.992 7.800 -1.139 1.00 . A A . 3 HIS CB 1 1 3 327 1 1 3 HIS CD2 C 0.095 7.980 1.291 1.00 . A A . 3 HIS CD2 1 1 3 328 1 1 3 HIS CE1 C -1.246 9.685 0.991 1.00 . A A . 3 HIS CE1 1 1 3 329 1 1 3 HIS CG C 0.171 8.366 -0.013 1.00 . A A . 3 HIS CG 1 1 3 330 1 1 3 HIS H H 2.999 6.910 -2.420 1.00 . A A . 3 HIS H 1 1 3 331 1 1 3 HIS HA H 2.044 6.511 0.209 1.00 . A A . 3 HIS HA 1 1 3 332 1 1 3 HIS HB2 H 1.771 8.520 -1.391 1.00 . A A . 3 HIS HB2 1 1 3 333 1 1 3 HIS HB3 H 0.347 7.664 -2.007 1.00 . A A . 3 HIS HB3 1 1 3 334 1 1 3 HIS HD2 H 0.637 7.167 1.752 1.00 . A A . 3 HIS HD2 1 1 3 335 1 1 3 HIS HE1 H -1.963 10.471 1.177 1.00 . A A . 3 HIS HE1 1 1 3 336 1 1 3 HIS HE2 H -1.082 8.797 2.885 1.00 . A A . 3 HIS HE2 1 1 3 337 1 1 3 HIS N N 2.776 6.221 -1.716 1.00 . A A . 3 HIS N 1 1 3 338 1 1 3 HIS ND1 N -0.682 9.444 -0.185 1.00 . A A . 3 HIS ND1 1 1 3 339 1 1 3 HIS NE2 N -0.807 8.825 1.914 1.00 . A A . 3 HIS NE2 1 1 3 340 1 1 3 HIS O O 0.423 4.608 0.078 1.00 . A A . 3 HIS O 1 1 3 341 1 1 4 TRP C C -0.342 2.837 -2.630 1.00 . A A . 4 TRP C 1 1 3 342 1 1 4 TRP CA C -0.999 4.162 -2.258 1.00 . A A . 4 TRP CA 1 1 3 343 1 1 4 TRP CB C -1.982 4.582 -3.353 1.00 . A A . 4 TRP CB 1 1 3 344 1 1 4 TRP CD1 C -0.191 4.681 -5.184 1.00 . A A . 4 TRP CD1 1 1 3 345 1 1 4 TRP CD2 C -2.156 3.845 -5.860 1.00 . A A . 4 TRP CD2 1 1 3 346 1 1 4 TRP CE2 C -1.268 3.844 -6.953 1.00 . A A . 4 TRP CE2 1 1 3 347 1 1 4 TRP CE3 C -3.455 3.362 -6.047 1.00 . A A . 4 TRP CE3 1 1 3 348 1 1 4 TRP CG C -1.448 4.384 -4.738 1.00 . A A . 4 TRP CG 1 1 3 349 1 1 4 TRP CH2 C -2.915 2.913 -8.366 1.00 . A A . 4 TRP CH2 1 1 3 350 1 1 4 TRP CZ2 C -1.638 3.379 -8.213 1.00 . A A . 4 TRP CZ2 1 1 3 351 1 1 4 TRP CZ3 C -3.821 2.902 -7.298 1.00 . A A . 4 TRP CZ3 1 1 3 352 1 1 4 TRP H H 0.224 5.832 -2.809 1.00 . A A . 4 TRP H 1 1 3 353 1 1 4 TRP HA H -1.553 4.025 -1.329 1.00 . A A . 4 TRP HA 1 1 3 354 1 1 4 TRP HB2 H -2.899 4.002 -3.244 1.00 . A A . 4 TRP HB2 1 1 3 355 1 1 4 TRP HB3 H -2.216 5.638 -3.221 1.00 . A A . 4 TRP HB3 1 1 3 356 1 1 4 TRP HD1 H 0.596 5.106 -4.579 1.00 . A A . 4 TRP HD1 1 1 3 357 1 1 4 TRP HE1 H 0.753 4.482 -7.079 1.00 . A A . 4 TRP HE1 1 1 3 358 1 1 4 TRP HE3 H -4.160 3.349 -5.229 1.00 . A A . 4 TRP HE3 1 1 3 359 1 1 4 TRP HH2 H -3.231 2.546 -9.331 1.00 . A A . 4 TRP HH2 1 1 3 360 1 1 4 TRP HZ2 H -0.942 3.386 -9.039 1.00 . A A . 4 TRP HZ2 1 1 3 361 1 1 4 TRP HZ3 H -4.822 2.528 -7.454 1.00 . A A . 4 TRP HZ3 1 1 3 362 1 1 4 TRP N N 0.004 5.201 -2.051 1.00 . A A . 4 TRP N 1 1 3 363 1 1 4 TRP NE1 N -0.076 4.359 -6.515 1.00 . A A . 4 TRP NE1 1 1 3 364 1 1 4 TRP O O 0.875 2.685 -2.519 1.00 . A A . 4 TRP O 1 1 3 365 1 1 5 ALA C C -0.065 -0.170 -2.266 1.00 . A A . 5 ALA C 1 1 3 366 1 1 5 ALA CA C -0.649 0.572 -3.464 1.00 . A A . 5 ALA CA 1 1 3 367 1 1 5 ALA CB C 0.396 0.715 -4.560 1.00 . A A . 5 ALA CB 1 1 3 368 1 1 5 ALA H H -2.143 2.070 -3.141 1.00 . A A . 5 ALA H 1 1 3 369 1 1 5 ALA HA H -1.481 -0.012 -3.857 1.00 . A A . 5 ALA HA 1 1 3 370 1 1 5 ALA HB1 H 0.216 -0.031 -5.334 1.00 . A A . 5 ALA HB1 1 1 3 371 1 1 5 ALA HB2 H 0.332 1.712 -4.995 1.00 . A A . 5 ALA HB2 1 1 3 372 1 1 5 ALA HB3 H 1.389 0.566 -4.137 1.00 . A A . 5 ALA HB3 1 1 3 373 1 1 5 ALA N N -1.153 1.883 -3.073 1.00 . A A . 5 ALA N 1 1 3 374 1 1 5 ALA O O 0.882 -0.944 -2.405 1.00 . A A . 5 ALA O 1 1 3 375 1 1 6 VAL C C -0.991 -1.826 0.436 1.00 . A A . 6 VAL C 1 1 3 376 1 1 6 VAL CA C -0.173 -0.577 0.132 1.00 . A A . 6 VAL CA 1 1 3 377 1 1 6 VAL CB C -0.248 0.380 1.334 1.00 . A A . 6 VAL CB 1 1 3 378 1 1 6 VAL CG1 C 0.614 1.610 1.096 1.00 . A A . 6 VAL CG1 1 1 3 379 1 1 6 VAL CG2 C -1.691 0.775 1.612 1.00 . A A . 6 VAL CG2 1 1 3 380 1 1 6 VAL H H -1.411 0.718 -1.043 1.00 . A A . 6 VAL H 1 1 3 381 1 1 6 VAL HA H 0.867 -0.872 -0.008 1.00 . A A . 6 VAL HA 1 1 3 382 1 1 6 VAL HB H 0.137 -0.142 2.210 1.00 . A A . 6 VAL HB 1 1 3 383 1 1 6 VAL HG11 H 1.641 1.302 0.899 1.00 . A A . 6 VAL HG11 1 1 3 384 1 1 6 VAL HG12 H 0.230 2.162 0.238 1.00 . A A . 6 VAL HG12 1 1 3 385 1 1 6 VAL HG13 H 0.589 2.248 1.979 1.00 . A A . 6 VAL HG13 1 1 3 386 1 1 6 VAL HG21 H -2.288 -0.122 1.779 1.00 . A A . 6 VAL HG21 1 1 3 387 1 1 6 VAL HG22 H -2.089 1.322 0.757 1.00 . A A . 6 VAL HG22 1 1 3 388 1 1 6 VAL HG23 H -1.730 1.408 2.499 1.00 . A A . 6 VAL HG23 1 1 3 389 1 1 6 VAL N N -0.637 0.071 -1.091 1.00 . A A . 6 VAL N 1 1 3 390 1 1 6 VAL O O -1.076 -2.261 1.585 1.00 . A A . 6 VAL O 1 1 3 391 1 1 7 GLY C C -2.083 -4.664 -1.453 1.00 . A A . 7 GLY C 1 1 3 392 1 1 7 GLY CA C -2.397 -3.597 -0.423 1.00 . A A . 7 GLY CA 1 1 3 393 1 1 7 GLY H H -1.488 -2.002 -1.522 1.00 . A A . 7 GLY H 1 1 3 394 1 1 7 GLY HA2 H -2.216 -4.002 0.573 1.00 . A A . 7 GLY HA2 1 1 3 395 1 1 7 GLY HA3 H -3.449 -3.326 -0.510 1.00 . A A . 7 GLY HA3 1 1 3 396 1 1 7 GLY N N -1.592 -2.401 -0.600 1.00 . A A . 7 GLY N 1 1 3 397 1 1 7 GLY O O -2.981 -5.360 -1.929 1.00 . A A . 7 GLY O 1 1 3 398 1 1 8 HIS C C 0.906 -6.475 -2.328 1.00 . A A . 8 HIS C 1 1 3 399 1 1 8 HIS CA C -0.377 -5.784 -2.780 1.00 . A A . 8 HIS CA 1 1 3 400 1 1 8 HIS CB C -0.162 -5.122 -4.143 1.00 . A A . 8 HIS CB 1 1 3 401 1 1 8 HIS CD2 C -1.203 -2.854 -4.859 1.00 . A A . 8 HIS CD2 1 1 3 402 1 1 8 HIS CE1 C -3.294 -3.501 -4.953 1.00 . A A . 8 HIS CE1 1 1 3 403 1 1 8 HIS CG C -1.265 -4.174 -4.526 1.00 . A A . 8 HIS CG 1 1 3 404 1 1 8 HIS H H -0.116 -4.191 -1.373 1.00 . A A . 8 HIS H 1 1 3 405 1 1 8 HIS HA H -1.160 -6.536 -2.879 1.00 . A A . 8 HIS HA 1 1 3 406 1 1 8 HIS HB2 H 0.781 -4.575 -4.123 1.00 . A A . 8 HIS HB2 1 1 3 407 1 1 8 HIS HB3 H -0.099 -5.903 -4.901 1.00 . A A . 8 HIS HB3 1 1 3 408 1 1 8 HIS HD2 H -0.313 -2.244 -4.905 1.00 . A A . 8 HIS HD2 1 1 3 409 1 1 8 HIS HE1 H -4.365 -3.491 -5.089 1.00 . A A . 8 HIS HE1 1 1 3 410 1 1 8 HIS HE2 H -2.787 -1.515 -5.403 1.00 . A A . 8 HIS HE2 1 1 3 411 1 1 8 HIS N N -0.806 -4.793 -1.799 1.00 . A A . 8 HIS N 1 1 3 412 1 1 8 HIS ND1 N -2.592 -4.564 -4.591 1.00 . A A . 8 HIS ND1 1 1 3 413 1 1 8 HIS NE2 N -2.498 -2.443 -5.127 1.00 . A A . 8 HIS NE2 1 1 3 414 1 1 8 HIS O O 0.977 -7.704 -2.278 1.00 . A A . 8 HIS O 1 1 3 415 1 1 9 LEU C C 3.070 -6.861 -0.183 1.00 . A A . 9 LEU C 1 1 3 416 1 1 9 LEU CA C 3.200 -6.212 -1.557 1.00 . A A . 9 LEU CA 1 1 3 417 1 1 9 LEU CB C 4.250 -5.102 -1.512 1.00 . A A . 9 LEU CB 1 1 3 418 1 1 9 LEU CD1 C 5.585 -5.047 -3.633 1.00 . A A . 9 LEU CD1 1 1 3 419 1 1 9 LEU CD2 C 6.725 -4.707 -1.433 1.00 . A A . 9 LEU CD2 1 1 3 420 1 1 9 LEU CG C 5.598 -5.425 -2.160 1.00 . A A . 9 LEU CG 1 1 3 421 1 1 9 LEU H H 1.797 -4.677 -2.066 1.00 . A A . 9 LEU H 1 1 3 422 1 1 9 LEU HA H 3.527 -6.970 -2.269 1.00 . A A . 9 LEU HA 1 1 3 423 1 1 9 LEU HB2 H 3.836 -4.231 -2.020 1.00 . A A . 9 LEU HB2 1 1 3 424 1 1 9 LEU HB3 H 4.426 -4.838 -0.469 1.00 . A A . 9 LEU HB3 1 1 3 425 1 1 9 LEU HD11 H 4.772 -5.571 -4.136 1.00 . A A . 9 LEU HD11 1 1 3 426 1 1 9 LEU HD12 H 6.535 -5.328 -4.088 1.00 . A A . 9 LEU HD12 1 1 3 427 1 1 9 LEU HD13 H 5.440 -3.971 -3.731 1.00 . A A . 9 LEU HD13 1 1 3 428 1 1 9 LEU HD21 H 6.718 -4.990 -0.381 1.00 . A A . 9 LEU HD21 1 1 3 429 1 1 9 LEU HD22 H 7.680 -4.987 -1.878 1.00 . A A . 9 LEU HD22 1 1 3 430 1 1 9 LEU HD23 H 6.585 -3.630 -1.520 1.00 . A A . 9 LEU HD23 1 1 3 431 1 1 9 LEU HG H 5.768 -6.499 -2.082 1.00 . A A . 9 LEU HG 1 1 3 432 1 1 9 LEU N N 1.918 -5.678 -2.003 1.00 . A A . 9 LEU N 1 1 3 433 1 1 9 LEU O O 3.829 -7.767 0.161 1.00 . A A . 9 LEU O 1 1 3 434 1 1 10 MET C C 0.578 -7.736 1.980 1.00 . A A . 10 MET C 1 1 3 435 1 1 10 MET CA C 1.872 -6.930 1.934 1.00 . A A . 10 MET CA 1 1 3 436 1 1 10 MET CB C 1.817 -5.796 2.961 1.00 . A A . 10 MET CB 1 1 3 437 1 1 10 MET CE C 2.350 -2.927 1.111 1.00 . A A . 10 MET CE 1 1 3 438 1 1 10 MET CG C 3.040 -4.894 2.935 1.00 . A A . 10 MET CG 1 1 3 439 1 1 10 MET H H 1.513 -5.646 0.260 1.00 . A A . 10 MET H 1 1 3 440 1 1 10 MET HA H 2.701 -7.590 2.190 1.00 . A A . 10 MET HA 1 1 3 441 1 1 10 MET HB2 H 0.936 -5.188 2.756 1.00 . A A . 10 MET HB2 1 1 3 442 1 1 10 MET HB3 H 1.721 -6.229 3.957 1.00 . A A . 10 MET HB3 1 1 3 443 1 1 10 MET HE1 H 3.031 -3.574 0.559 1.00 . A A . 10 MET HE1 1 1 3 444 1 1 10 MET HE2 H 1.321 -3.186 0.862 1.00 . A A . 10 MET HE2 1 1 3 445 1 1 10 MET HE3 H 2.538 -1.888 0.842 1.00 . A A . 10 MET HE3 1 1 3 446 1 1 10 MET HG2 H 3.626 -5.076 3.836 1.00 . A A . 10 MET HG2 1 1 3 447 1 1 10 MET HG3 H 3.645 -5.143 2.063 1.00 . A A . 10 MET HG3 1 1 3 448 1 1 10 MET N N 2.103 -6.393 0.599 1.00 . A A . 10 MET N 1 1 3 449 1 1 10 MET O O 0.591 -8.936 2.257 1.00 . A A . 10 MET O 1 1 3 450 1 1 10 MET SD S 2.612 -3.145 2.869 1.00 . A A . 10 MET SD 1 1 4 451 1 1 1 GLY C C 6.399 3.780 -3.516 1.00 . A A . 1 GLY C 1 1 4 452 1 1 1 GLY CA C 7.025 2.400 -3.476 1.00 . A A . 1 GLY CA 1 1 4 453 1 1 1 GLY H1 H 7.635 1.071 -2.073 1.00 . A A . 1 GLY H1 1 1 4 454 1 1 1 GLY H2 H 6.012 1.362 -2.062 1.00 . A A . 1 GLY H2 1 1 4 455 1 1 1 GLY H3 H 7.055 2.484 -1.452 1.00 . A A . 1 GLY H3 1 1 4 456 1 1 1 GLY HA2 H 8.079 2.486 -3.741 1.00 . A A . 1 GLY HA2 1 1 4 457 1 1 1 GLY HA3 H 6.527 1.764 -4.207 1.00 . A A . 1 GLY HA3 1 1 4 458 1 1 1 GLY N N 6.924 1.782 -2.166 1.00 . A A . 1 GLY N 1 1 4 459 1 1 1 GLY O O 7.019 4.735 -3.981 1.00 . A A . 1 GLY O 1 1 4 460 1 1 2 ASN C C 3.408 5.181 -1.906 1.00 . A A . 2 ASN C 1 1 4 461 1 1 2 ASN CA C 4.456 5.157 -3.013 1.00 . A A . 2 ASN CA 1 1 4 462 1 1 2 ASN CB C 3.791 5.409 -4.367 1.00 . A A . 2 ASN CB 1 1 4 463 1 1 2 ASN CG C 4.736 6.047 -5.367 1.00 . A A . 2 ASN CG 1 1 4 464 1 1 2 ASN H H 4.712 3.061 -2.659 1.00 . A A . 2 ASN H 1 1 4 465 1 1 2 ASN HA H 5.176 5.954 -2.826 1.00 . A A . 2 ASN HA 1 1 4 466 1 1 2 ASN HB2 H 3.437 4.460 -4.770 1.00 . A A . 2 ASN HB2 1 1 4 467 1 1 2 ASN HB3 H 2.938 6.072 -4.220 1.00 . A A . 2 ASN HB3 1 1 4 468 1 1 2 ASN HD21 H 3.953 4.931 -6.872 1.00 . A A . 2 ASN HD21 1 1 4 469 1 1 2 ASN HD22 H 5.238 6.023 -7.335 1.00 . A A . 2 ASN HD22 1 1 4 470 1 1 2 ASN N N 5.167 3.884 -3.028 1.00 . A A . 2 ASN N 1 1 4 471 1 1 2 ASN ND2 N 4.634 5.634 -6.625 1.00 . A A . 2 ASN ND2 1 1 4 472 1 1 2 ASN O O 3.243 4.207 -1.170 1.00 . A A . 2 ASN O 1 1 4 473 1 1 2 ASN OD1 O 5.549 6.901 -5.011 1.00 . A A . 2 ASN OD1 1 1 4 474 1 1 3 HIS C C 0.644 5.323 -0.868 1.00 . A A . 3 HIS C 1 1 4 475 1 1 3 HIS CA C 1.665 6.452 -0.775 1.00 . A A . 3 HIS CA 1 1 4 476 1 1 3 HIS CB C 0.967 7.801 -0.924 1.00 . A A . 3 HIS CB 1 1 4 477 1 1 3 HIS CD2 C 0.408 7.850 1.611 1.00 . A A . 3 HIS CD2 1 1 4 478 1 1 3 HIS CE1 C -1.106 9.429 1.554 1.00 . A A . 3 HIS CE1 1 1 4 479 1 1 3 HIS CG C 0.266 8.267 0.322 1.00 . A A . 3 HIS CG 1 1 4 480 1 1 3 HIS H H 2.883 7.066 -2.425 1.00 . A A . 3 HIS H 1 1 4 481 1 1 3 HIS HA H 2.136 6.413 0.207 1.00 . A A . 3 HIS HA 1 1 4 482 1 1 3 HIS HB2 H 1.715 8.546 -1.195 1.00 . A A . 3 HIS HB2 1 1 4 483 1 1 3 HIS HB3 H 0.237 7.729 -1.730 1.00 . A A . 3 HIS HB3 1 1 4 484 1 1 3 HIS HD2 H 1.078 7.081 1.967 1.00 . A A . 3 HIS HD2 1 1 4 485 1 1 3 HIS HE1 H -1.856 10.142 1.863 1.00 . A A . 3 HIS HE1 1 1 4 486 1 1 3 HIS HE2 H -0.600 8.525 3.376 1.00 . A A . 3 HIS HE2 1 1 4 487 1 1 3 HIS N N 2.700 6.301 -1.792 1.00 . A A . 3 HIS N 1 1 4 488 1 1 3 HIS ND1 N -0.696 9.264 0.306 1.00 . A A . 3 HIS ND1 1 1 4 489 1 1 3 HIS NE2 N -0.468 8.597 2.377 1.00 . A A . 3 HIS NE2 1 1 4 490 1 1 3 HIS O O 0.430 4.586 0.094 1.00 . A A . 3 HIS O 1 1 4 491 1 1 4 TRP C C -0.323 2.832 -2.622 1.00 . A A . 4 TRP C 1 1 4 492 1 1 4 TRP CA C -0.984 4.155 -2.250 1.00 . A A . 4 TRP CA 1 1 4 493 1 1 4 TRP CB C -1.960 4.579 -3.349 1.00 . A A . 4 TRP CB 1 1 4 494 1 1 4 TRP CD1 C -0.157 4.686 -5.167 1.00 . A A . 4 TRP CD1 1 1 4 495 1 1 4 TRP CD2 C -2.116 3.851 -5.861 1.00 . A A . 4 TRP CD2 1 1 4 496 1 1 4 TRP CE2 C -1.219 3.856 -6.947 1.00 . A A . 4 TRP CE2 1 1 4 497 1 1 4 TRP CE3 C -3.412 3.369 -6.059 1.00 . A A . 4 TRP CE3 1 1 4 498 1 1 4 TRP CG C -1.416 4.387 -4.732 1.00 . A A . 4 TRP CG 1 1 4 499 1 1 4 TRP CH2 C -2.855 2.929 -8.377 1.00 . A A . 4 TRP CH2 1 1 4 500 1 1 4 TRP CZ2 C -1.579 3.396 -8.211 1.00 . A A . 4 TRP CZ2 1 1 4 501 1 1 4 TRP CZ3 C -3.768 2.914 -7.314 1.00 . A A . 4 TRP CZ3 1 1 4 502 1 1 4 TRP H H 0.236 5.831 -2.783 1.00 . A A . 4 TRP H 1 1 4 503 1 1 4 TRP HA H -1.544 4.014 -1.326 1.00 . A A . 4 TRP HA 1 1 4 504 1 1 4 TRP HB2 H -2.870 3.987 -3.250 1.00 . A A . 4 TRP HB2 1 1 4 505 1 1 4 TRP HB3 H -2.208 5.631 -3.212 1.00 . A A . 4 TRP HB3 1 1 4 506 1 1 4 TRP HD1 H 0.626 5.109 -4.555 1.00 . A A . 4 TRP HD1 1 1 4 507 1 1 4 TRP HE1 H 0.801 4.494 -7.055 1.00 . A A . 4 TRP HE1 1 1 4 508 1 1 4 TRP HE3 H -4.123 3.352 -5.246 1.00 . A A . 4 TRP HE3 1 1 4 509 1 1 4 TRP HH2 H -3.164 2.565 -9.346 1.00 . A A . 4 TRP HH2 1 1 4 510 1 1 4 TRP HZ2 H -0.876 3.407 -9.031 1.00 . A A . 4 TRP HZ2 1 1 4 511 1 1 4 TRP HZ3 H -4.768 2.540 -7.479 1.00 . A A . 4 TRP HZ3 1 1 4 512 1 1 4 TRP N N 0.016 5.194 -2.031 1.00 . A A . 4 TRP N 1 1 4 513 1 1 4 TRP NE1 N -0.032 4.369 -6.498 1.00 . A A . 4 TRP NE1 1 1 4 514 1 1 4 TRP O O 0.891 2.680 -2.502 1.00 . A A . 4 TRP O 1 1 4 515 1 1 5 ALA C C -0.049 -0.178 -2.267 1.00 . A A . 5 ALA C 1 1 4 516 1 1 5 ALA CA C -0.623 0.570 -3.466 1.00 . A A . 5 ALA CA 1 1 4 517 1 1 5 ALA CB C 0.430 0.716 -4.554 1.00 . A A . 5 ALA CB 1 1 4 518 1 1 5 ALA H H -2.121 2.064 -3.145 1.00 . A A . 5 ALA H 1 1 4 519 1 1 5 ALA HA H -1.452 -0.013 -3.868 1.00 . A A . 5 ALA HA 1 1 4 520 1 1 5 ALA HB1 H 0.256 -0.028 -5.331 1.00 . A A . 5 ALA HB1 1 1 4 521 1 1 5 ALA HB2 H 0.369 1.715 -4.987 1.00 . A A . 5 ALA HB2 1 1 4 522 1 1 5 ALA HB3 H 1.420 0.566 -4.124 1.00 . A A . 5 ALA HB3 1 1 4 523 1 1 5 ALA N N -1.131 1.878 -3.073 1.00 . A A . 5 ALA N 1 1 4 524 1 1 5 ALA O O 0.894 -0.958 -2.403 1.00 . A A . 5 ALA O 1 1 4 525 1 1 6 VAL C C -0.994 -1.828 0.430 1.00 . A A . 6 VAL C 1 1 4 526 1 1 6 VAL CA C -0.166 -0.584 0.132 1.00 . A A . 6 VAL CA 1 1 4 527 1 1 6 VAL CB C -0.240 0.372 1.334 1.00 . A A . 6 VAL CB 1 1 4 528 1 1 6 VAL CG1 C 0.589 1.621 1.077 1.00 . A A . 6 VAL CG1 1 1 4 529 1 1 6 VAL CG2 C -1.686 0.736 1.639 1.00 . A A . 6 VAL CG2 1 1 4 530 1 1 6 VAL H H -1.391 0.721 -1.047 1.00 . A A . 6 VAL H 1 1 4 531 1 1 6 VAL HA H 0.872 -0.886 -0.005 1.00 . A A . 6 VAL HA 1 1 4 532 1 1 6 VAL HB H 0.174 -0.140 2.203 1.00 . A A . 6 VAL HB 1 1 4 533 1 1 6 VAL HG11 H 1.619 1.336 0.861 1.00 . A A . 6 VAL HG11 1 1 4 534 1 1 6 VAL HG12 H 0.566 2.260 1.960 1.00 . A A . 6 VAL HG12 1 1 4 535 1 1 6 VAL HG13 H 0.176 2.163 0.226 1.00 . A A . 6 VAL HG13 1 1 4 536 1 1 6 VAL HG21 H -2.260 -0.173 1.819 1.00 . A A . 6 VAL HG21 1 1 4 537 1 1 6 VAL HG22 H -1.722 1.370 2.525 1.00 . A A . 6 VAL HG22 1 1 4 538 1 1 6 VAL HG23 H -2.112 1.272 0.791 1.00 . A A . 6 VAL HG23 1 1 4 539 1 1 6 VAL N N -0.622 0.068 -1.093 1.00 . A A . 6 VAL N 1 1 4 540 1 1 6 VAL O O -1.084 -2.264 1.578 1.00 . A A . 6 VAL O 1 1 4 541 1 1 7 GLY C C -2.095 -4.658 -1.460 1.00 . A A . 7 GLY C 1 1 4 542 1 1 7 GLY CA C -2.408 -3.588 -0.434 1.00 . A A . 7 GLY CA 1 1 4 543 1 1 7 GLY H H -1.487 -1.998 -1.529 1.00 . A A . 7 GLY H 1 1 4 544 1 1 7 GLY HA2 H -2.225 -3.994 0.561 1.00 . A A . 7 GLY HA2 1 1 4 545 1 1 7 GLY HA3 H -3.460 -3.314 -0.517 1.00 . A A . 7 GLY HA3 1 1 4 546 1 1 7 GLY N N -1.596 -2.398 -0.608 1.00 . A A . 7 GLY N 1 1 4 547 1 1 7 GLY O O -2.994 -5.350 -1.941 1.00 . A A . 7 GLY O 1 1 4 548 1 1 8 HIS C C 0.890 -6.487 -2.316 1.00 . A A . 8 HIS C 1 1 4 549 1 1 8 HIS CA C -0.387 -5.791 -2.775 1.00 . A A . 8 HIS CA 1 1 4 550 1 1 8 HIS CB C -0.161 -5.132 -4.138 1.00 . A A . 8 HIS CB 1 1 4 551 1 1 8 HIS CD2 C -1.187 -2.859 -4.864 1.00 . A A . 8 HIS CD2 1 1 4 552 1 1 8 HIS CE1 C -3.280 -3.494 -4.969 1.00 . A A . 8 HIS CE1 1 1 4 553 1 1 8 HIS CG C -1.256 -4.178 -4.528 1.00 . A A . 8 HIS CG 1 1 4 554 1 1 8 HIS H H -0.126 -4.197 -1.368 1.00 . A A . 8 HIS H 1 1 4 555 1 1 8 HIS HA H -1.173 -6.539 -2.877 1.00 . A A . 8 HIS HA 1 1 4 556 1 1 8 HIS HB2 H 0.785 -4.591 -4.114 1.00 . A A . 8 HIS HB2 1 1 4 557 1 1 8 HIS HB3 H -0.099 -5.915 -4.894 1.00 . A A . 8 HIS HB3 1 1 4 558 1 1 8 HIS HD2 H -0.294 -2.254 -4.907 1.00 . A A . 8 HIS HD2 1 1 4 559 1 1 8 HIS HE1 H -4.350 -3.478 -5.112 1.00 . A A . 8 HIS HE1 1 1 4 560 1 1 8 HIS HE2 H -2.759 -1.512 -5.419 1.00 . A A . 8 HIS HE2 1 1 4 561 1 1 8 HIS N N -0.817 -4.796 -1.798 1.00 . A A . 8 HIS N 1 1 4 562 1 1 8 HIS ND1 N -2.585 -4.562 -4.600 1.00 . A A . 8 HIS ND1 1 1 4 563 1 1 8 HIS NE2 N -2.477 -2.441 -5.140 1.00 . A A . 8 HIS NE2 1 1 4 564 1 1 8 HIS O O 0.942 -7.715 -2.227 1.00 . A A . 8 HIS O 1 1 4 565 1 1 9 LEU C C 3.050 -6.919 -0.217 1.00 . A A . 9 LEU C 1 1 4 566 1 1 9 LEU CA C 3.195 -6.240 -1.575 1.00 . A A . 9 LEU CA 1 1 4 567 1 1 9 LEU CB C 4.241 -5.127 -1.493 1.00 . A A . 9 LEU CB 1 1 4 568 1 1 9 LEU CD1 C 5.650 -4.924 -3.557 1.00 . A A . 9 LEU CD1 1 1 4 569 1 1 9 LEU CD2 C 6.722 -4.825 -1.299 1.00 . A A . 9 LEU CD2 1 1 4 570 1 1 9 LEU CG C 5.600 -5.435 -2.125 1.00 . A A . 9 LEU CG 1 1 4 571 1 1 9 LEU H H 1.811 -4.698 -2.117 1.00 . A A . 9 LEU H 1 1 4 572 1 1 9 LEU HA H 3.532 -6.981 -2.300 1.00 . A A . 9 LEU HA 1 1 4 573 1 1 9 LEU HB2 H 3.833 -4.248 -1.992 1.00 . A A . 9 LEU HB2 1 1 4 574 1 1 9 LEU HB3 H 4.399 -4.882 -0.443 1.00 . A A . 9 LEU HB3 1 1 4 575 1 1 9 LEU HD11 H 4.839 -5.372 -4.132 1.00 . A A . 9 LEU HD11 1 1 4 576 1 1 9 LEU HD12 H 5.541 -3.840 -3.560 1.00 . A A . 9 LEU HD12 1 1 4 577 1 1 9 LEU HD13 H 6.606 -5.194 -4.006 1.00 . A A . 9 LEU HD13 1 1 4 578 1 1 9 LEU HD21 H 6.669 -5.203 -0.278 1.00 . A A . 9 LEU HD21 1 1 4 579 1 1 9 LEU HD22 H 7.683 -5.095 -1.737 1.00 . A A . 9 LEU HD22 1 1 4 580 1 1 9 LEU HD23 H 6.618 -3.740 -1.291 1.00 . A A . 9 LEU HD23 1 1 4 581 1 1 9 LEU HG H 5.734 -6.517 -2.141 1.00 . A A . 9 LEU HG 1 1 4 582 1 1 9 LEU N N 1.917 -5.698 -2.025 1.00 . A A . 9 LEU N 1 1 4 583 1 1 9 LEU O O 3.628 -7.979 0.022 1.00 . A A . 9 LEU O 1 1 4 584 1 1 10 MET C C 0.567 -6.826 2.356 1.00 . A A . 10 MET C 1 1 4 585 1 1 10 MET CA C 2.051 -6.850 2.000 1.00 . A A . 10 MET CA 1 1 4 586 1 1 10 MET CB C 2.850 -6.062 3.040 1.00 . A A . 10 MET CB 1 1 4 587 1 1 10 MET CE C 2.294 -2.793 1.023 1.00 . A A . 10 MET CE 1 1 4 588 1 1 10 MET CG C 2.458 -4.595 3.122 1.00 . A A . 10 MET CG 1 1 4 589 1 1 10 MET H H 1.826 -5.435 0.411 1.00 . A A . 10 MET H 1 1 4 590 1 1 10 MET HA H 2.393 -7.885 2.011 1.00 . A A . 10 MET HA 1 1 4 591 1 1 10 MET HB2 H 2.701 -6.520 4.018 1.00 . A A . 10 MET HB2 1 1 4 592 1 1 10 MET HB3 H 3.907 -6.123 2.781 1.00 . A A . 10 MET HB3 1 1 4 593 1 1 10 MET HE1 H 2.791 -2.111 0.334 1.00 . A A . 10 MET HE1 1 1 4 594 1 1 10 MET HE2 H 1.785 -3.573 0.457 1.00 . A A . 10 MET HE2 1 1 4 595 1 1 10 MET HE3 H 1.566 -2.242 1.618 1.00 . A A . 10 MET HE3 1 1 4 596 1 1 10 MET HG2 H 1.427 -4.490 2.784 1.00 . A A . 10 MET HG2 1 1 4 597 1 1 10 MET HG3 H 2.525 -4.268 4.160 1.00 . A A . 10 MET HG3 1 1 4 598 1 1 10 MET N N 2.273 -6.303 0.668 1.00 . A A . 10 MET N 1 1 4 599 1 1 10 MET O O 0.198 -6.562 3.502 1.00 . A A . 10 MET O 1 1 4 600 1 1 10 MET SD S 3.509 -3.538 2.107 1.00 . A A . 10 MET SD 1 1 5 601 1 1 1 GLY C C 6.498 7.485 -3.694 1.00 . A A . 1 GLY C 1 1 5 602 1 1 1 GLY CA C 8.001 7.469 -3.488 1.00 . A A . 1 GLY CA 1 1 5 603 1 1 1 GLY H1 H 9.704 8.148 -4.352 1.00 . A A . 1 GLY H1 1 1 5 604 1 1 1 GLY H2 H 8.514 7.760 -5.426 1.00 . A A . 1 GLY H2 1 1 5 605 1 1 1 GLY H3 H 8.408 9.149 -4.544 1.00 . A A . 1 GLY H3 1 1 5 606 1 1 1 GLY HA2 H 8.342 6.434 -3.481 1.00 . A A . 1 GLY HA2 1 1 5 607 1 1 1 GLY HA3 H 8.232 7.925 -2.525 1.00 . A A . 1 GLY HA3 1 1 5 608 1 1 1 GLY N N 8.711 8.186 -4.532 1.00 . A A . 1 GLY N 1 1 5 609 1 1 1 GLY O O 5.943 8.463 -4.191 1.00 . A A . 1 GLY O 1 1 5 610 1 1 2 ASN C C 3.724 6.055 -2.109 1.00 . A A . 2 ASN C 1 1 5 611 1 1 2 ASN CA C 4.393 6.285 -3.461 1.00 . A A . 2 ASN CA 1 1 5 612 1 1 2 ASN CB C 4.043 5.144 -4.417 1.00 . A A . 2 ASN CB 1 1 5 613 1 1 2 ASN CG C 4.625 3.816 -3.971 1.00 . A A . 2 ASN CG 1 1 5 614 1 1 2 ASN H H 6.354 5.625 -2.909 1.00 . A A . 2 ASN H 1 1 5 615 1 1 2 ASN HA H 4.016 7.217 -3.881 1.00 . A A . 2 ASN HA 1 1 5 616 1 1 2 ASN HB2 H 2.958 5.051 -4.468 1.00 . A A . 2 ASN HB2 1 1 5 617 1 1 2 ASN HB3 H 4.425 5.383 -5.409 1.00 . A A . 2 ASN HB3 1 1 5 618 1 1 2 ASN HD21 H 3.135 3.581 -2.612 1.00 . A A . 2 ASN HD21 1 1 5 619 1 1 2 ASN HD22 H 4.313 2.289 -2.669 1.00 . A A . 2 ASN HD22 1 1 5 620 1 1 2 ASN N N 5.840 6.395 -3.312 1.00 . A A . 2 ASN N 1 1 5 621 1 1 2 ASN ND2 N 3.972 3.178 -3.007 1.00 . A A . 2 ASN ND2 1 1 5 622 1 1 2 ASN O O 4.310 5.452 -1.209 1.00 . A A . 2 ASN O 1 1 5 623 1 1 2 ASN OD1 O 5.650 3.370 -4.487 1.00 . A A . 2 ASN OD1 1 1 5 624 1 1 3 HIS C C 0.726 5.254 -0.849 1.00 . A A . 3 HIS C 1 1 5 625 1 1 3 HIS CA C 1.743 6.385 -0.732 1.00 . A A . 3 HIS CA 1 1 5 626 1 1 3 HIS CB C 1.036 7.690 -0.374 1.00 . A A . 3 HIS CB 1 1 5 627 1 1 3 HIS CD2 C 1.357 7.295 2.173 1.00 . A A . 3 HIS CD2 1 1 5 628 1 1 3 HIS CE1 C -0.312 8.520 2.880 1.00 . A A . 3 HIS CE1 1 1 5 629 1 1 3 HIS CG C 0.729 7.836 1.091 1.00 . A A . 3 HIS CG 1 1 5 630 1 1 3 HIS H H 2.067 7.027 -2.750 1.00 . A A . 3 HIS H 1 1 5 631 1 1 3 HIS HA H 2.443 6.140 0.067 1.00 . A A . 3 HIS HA 1 1 5 632 1 1 3 HIS HB2 H 1.665 8.525 -0.684 1.00 . A A . 3 HIS HB2 1 1 5 633 1 1 3 HIS HB3 H 0.098 7.735 -0.927 1.00 . A A . 3 HIS HB3 1 1 5 634 1 1 3 HIS HD2 H 2.218 6.643 2.156 1.00 . A A . 3 HIS HD2 1 1 5 635 1 1 3 HIS HE1 H -1.016 9.016 3.532 1.00 . A A . 3 HIS HE1 1 1 5 636 1 1 3 HIS HE2 H 0.908 7.512 4.256 1.00 . A A . 3 HIS HE2 1 1 5 637 1 1 3 HIS N N 2.493 6.540 -1.974 1.00 . A A . 3 HIS N 1 1 5 638 1 1 3 HIS ND1 N -0.323 8.607 1.557 1.00 . A A . 3 HIS ND1 1 1 5 639 1 1 3 HIS NE2 N 0.685 7.738 3.297 1.00 . A A . 3 HIS NE2 1 1 5 640 1 1 3 HIS O O 0.553 4.464 0.078 1.00 . A A . 3 HIS O 1 1 5 641 1 1 4 TRP C C -0.286 2.827 -2.594 1.00 . A A . 4 TRP C 1 1 5 642 1 1 4 TRP CA C -0.947 4.152 -2.230 1.00 . A A . 4 TRP CA 1 1 5 643 1 1 4 TRP CB C -1.900 4.583 -3.345 1.00 . A A . 4 TRP CB 1 1 5 644 1 1 4 TRP CD1 C -0.065 4.685 -5.131 1.00 . A A . 4 TRP CD1 1 1 5 645 1 1 4 TRP CD2 C -2.015 3.862 -5.862 1.00 . A A . 4 TRP CD2 1 1 5 646 1 1 4 TRP CE2 C -1.100 3.864 -6.932 1.00 . A A . 4 TRP CE2 1 1 5 647 1 1 4 TRP CE3 C -3.310 3.387 -6.085 1.00 . A A . 4 TRP CE3 1 1 5 648 1 1 4 TRP CG C -1.333 4.391 -4.720 1.00 . A A . 4 TRP CG 1 1 5 649 1 1 4 TRP CH2 C -2.714 2.950 -8.393 1.00 . A A . 4 TRP CH2 1 1 5 650 1 1 4 TRP CZ2 C -1.439 3.410 -8.204 1.00 . A A . 4 TRP CZ2 1 1 5 651 1 1 4 TRP CZ3 C -3.646 2.936 -7.347 1.00 . A A . 4 TRP CZ3 1 1 5 652 1 1 4 TRP H H 0.243 5.866 -2.716 1.00 . A A . 4 TRP H 1 1 5 653 1 1 4 TRP HA H -1.524 4.012 -1.316 1.00 . A A . 4 TRP HA 1 1 5 654 1 1 4 TRP HB2 H -2.815 3.996 -3.264 1.00 . A A . 4 TRP HB2 1 1 5 655 1 1 4 TRP HB3 H -2.145 5.636 -3.210 1.00 . A A . 4 TRP HB3 1 1 5 656 1 1 4 TRP HD1 H 0.708 5.103 -4.503 1.00 . A A . 4 TRP HD1 1 1 5 657 1 1 4 TRP HE1 H 0.926 4.494 -7.003 1.00 . A A . 4 TRP HE1 1 1 5 658 1 1 4 TRP HE3 H -4.035 3.373 -5.285 1.00 . A A . 4 TRP HE3 1 1 5 659 1 1 4 TRP HH2 H -3.008 2.591 -9.368 1.00 . A A . 4 TRP HH2 1 1 5 660 1 1 4 TRP HZ2 H -0.722 3.421 -9.012 1.00 . A A . 4 TRP HZ2 1 1 5 661 1 1 4 TRP HZ3 H -4.644 2.566 -7.530 1.00 . A A . 4 TRP HZ3 1 1 5 662 1 1 4 TRP N N 0.055 5.186 -1.993 1.00 . A A . 4 TRP N 1 1 5 663 1 1 4 TRP NE1 N 0.083 4.371 -6.461 1.00 . A A . 4 TRP NE1 1 1 5 664 1 1 4 TRP O O 0.925 2.668 -2.452 1.00 . A A . 4 TRP O 1 1 5 665 1 1 5 ALA C C -0.034 -0.184 -2.240 1.00 . A A . 5 ALA C 1 1 5 666 1 1 5 ALA CA C -0.582 0.568 -3.448 1.00 . A A . 5 ALA CA 1 1 5 667 1 1 5 ALA CB C 0.491 0.711 -4.515 1.00 . A A . 5 ALA CB 1 1 5 668 1 1 5 ALA H H -2.078 2.071 -3.155 1.00 . A A . 5 ALA H 1 1 5 669 1 1 5 ALA HA H -1.406 -0.010 -3.866 1.00 . A A . 5 ALA HA 1 1 5 670 1 1 5 ALA HB1 H 0.327 -0.030 -5.297 1.00 . A A . 5 ALA HB1 1 1 5 671 1 1 5 ALA HB2 H 0.443 1.711 -4.946 1.00 . A A . 5 ALA HB2 1 1 5 672 1 1 5 ALA HB3 H 1.472 0.555 -4.067 1.00 . A A . 5 ALA HB3 1 1 5 673 1 1 5 ALA N N -1.091 1.879 -3.063 1.00 . A A . 5 ALA N 1 1 5 674 1 1 5 ALA O O 0.910 -0.966 -2.359 1.00 . A A . 5 ALA O 1 1 5 675 1 1 6 VAL C C -1.037 -1.843 0.432 1.00 . A A . 6 VAL C 1 1 5 676 1 1 6 VAL CA C -0.201 -0.600 0.154 1.00 . A A . 6 VAL CA 1 1 5 677 1 1 6 VAL CB C -0.296 0.353 1.357 1.00 . A A . 6 VAL CB 1 1 5 678 1 1 6 VAL CG1 C 0.609 1.559 1.161 1.00 . A A . 6 VAL CG1 1 1 5 679 1 1 6 VAL CG2 C -1.737 0.788 1.581 1.00 . A A . 6 VAL CG2 1 1 5 680 1 1 6 VAL H H -1.401 0.708 -1.044 1.00 . A A . 6 VAL H 1 1 5 681 1 1 6 VAL HA H 0.839 -0.904 0.037 1.00 . A A . 6 VAL HA 1 1 5 682 1 1 6 VAL HB H 0.040 -0.184 2.244 1.00 . A A . 6 VAL HB 1 1 5 683 1 1 6 VAL HG11 H 1.634 1.223 1.003 1.00 . A A . 6 VAL HG11 1 1 5 684 1 1 6 VAL HG12 H 0.567 2.192 2.047 1.00 . A A . 6 VAL HG12 1 1 5 685 1 1 6 VAL HG13 H 0.275 2.127 0.293 1.00 . A A . 6 VAL HG13 1 1 5 686 1 1 6 VAL HG21 H -2.365 -0.092 1.719 1.00 . A A . 6 VAL HG21 1 1 5 687 1 1 6 VAL HG22 H -2.085 1.351 0.715 1.00 . A A . 6 VAL HG22 1 1 5 688 1 1 6 VAL HG23 H -1.793 1.417 2.469 1.00 . A A . 6 VAL HG23 1 1 5 689 1 1 6 VAL N N -0.631 0.056 -1.077 1.00 . A A . 6 VAL N 1 1 5 690 1 1 6 VAL O O -1.150 -2.283 1.576 1.00 . A A . 6 VAL O 1 1 5 691 1 1 7 GLY C C -2.110 -4.663 -1.490 1.00 . A A . 7 GLY C 1 1 5 692 1 1 7 GLY CA C -2.440 -3.595 -0.467 1.00 . A A . 7 GLY CA 1 1 5 693 1 1 7 GLY H H -1.495 -2.003 -1.537 1.00 . A A . 7 GLY H 1 1 5 694 1 1 7 GLY HA2 H -2.278 -4.004 0.530 1.00 . A A . 7 GLY HA2 1 1 5 695 1 1 7 GLY HA3 H -3.489 -3.318 -0.570 1.00 . A A . 7 GLY HA3 1 1 5 696 1 1 7 GLY N N -1.622 -2.407 -0.620 1.00 . A A . 7 GLY N 1 1 5 697 1 1 7 GLY O O -3.000 -5.350 -1.992 1.00 . A A . 7 GLY O 1 1 5 698 1 1 8 HIS C C 0.886 -6.497 -2.294 1.00 . A A . 8 HIS C 1 1 5 699 1 1 8 HIS CA C -0.380 -5.794 -2.777 1.00 . A A . 8 HIS CA 1 1 5 700 1 1 8 HIS CB C -0.124 -5.131 -4.132 1.00 . A A . 8 HIS CB 1 1 5 701 1 1 8 HIS CD2 C -1.130 -2.852 -4.869 1.00 . A A . 8 HIS CD2 1 1 5 702 1 1 8 HIS CE1 C -3.220 -3.481 -5.018 1.00 . A A . 8 HIS CE1 1 1 5 703 1 1 8 HIS CG C -1.209 -4.173 -4.541 1.00 . A A . 8 HIS CG 1 1 5 704 1 1 8 HIS H H -0.142 -4.208 -1.360 1.00 . A A . 8 HIS H 1 1 5 705 1 1 8 HIS HA H -1.166 -6.539 -2.898 1.00 . A A . 8 HIS HA 1 1 5 706 1 1 8 HIS HB2 H 0.817 -4.584 -4.077 1.00 . A A . 8 HIS HB2 1 1 5 707 1 1 8 HIS HB3 H -0.036 -5.907 -4.892 1.00 . A A . 8 HIS HB3 1 1 5 708 1 1 8 HIS HD2 H -0.235 -2.248 -4.890 1.00 . A A . 8 HIS HD2 1 1 5 709 1 1 8 HIS HE1 H -4.287 -3.461 -5.182 1.00 . A A . 8 HIS HE1 1 1 5 710 1 1 8 HIS HE2 H -2.686 -1.500 -5.450 1.00 . A A . 8 HIS HE2 1 1 5 711 1 1 8 HIS N N -0.826 -4.803 -1.805 1.00 . A A . 8 HIS N 1 1 5 712 1 1 8 HIS ND1 N -2.537 -4.552 -4.640 1.00 . A A . 8 HIS ND1 1 1 5 713 1 1 8 HIS NE2 N -2.412 -2.431 -5.169 1.00 . A A . 8 HIS NE2 1 1 5 714 1 1 8 HIS O O 0.934 -7.725 -2.210 1.00 . A A . 8 HIS O 1 1 5 715 1 1 9 LEU C C 3.004 -6.941 -0.155 1.00 . A A . 9 LEU C 1 1 5 716 1 1 9 LEU CA C 3.177 -6.257 -1.508 1.00 . A A . 9 LEU CA 1 1 5 717 1 1 9 LEU CB C 4.225 -5.148 -1.400 1.00 . A A . 9 LEU CB 1 1 5 718 1 1 9 LEU CD1 C 5.676 -4.938 -3.434 1.00 . A A . 9 LEU CD1 1 1 5 719 1 1 9 LEU CD2 C 6.704 -4.858 -1.155 1.00 . A A . 9 LEU CD2 1 1 5 720 1 1 9 LEU CG C 5.594 -5.458 -2.007 1.00 . A A . 9 LEU CG 1 1 5 721 1 1 9 LEU H H 1.808 -4.710 -2.070 1.00 . A A . 9 LEU H 1 1 5 722 1 1 9 LEU HA H 3.527 -6.996 -2.229 1.00 . A A . 9 LEU HA 1 1 5 723 1 1 9 LEU HB2 H 3.830 -4.255 -1.884 1.00 . A A . 9 LEU HB2 1 1 5 724 1 1 9 LEU HB3 H 4.371 -4.929 -0.342 1.00 . A A . 9 LEU HB3 1 1 5 725 1 1 9 LEU HD11 H 4.875 -5.378 -4.028 1.00 . A A . 9 LEU HD11 1 1 5 726 1 1 9 LEU HD12 H 5.573 -3.853 -3.432 1.00 . A A . 9 LEU HD12 1 1 5 727 1 1 9 LEU HD13 H 6.639 -5.210 -3.865 1.00 . A A . 9 LEU HD13 1 1 5 728 1 1 9 LEU HD21 H 6.629 -5.242 -0.137 1.00 . A A . 9 LEU HD21 1 1 5 729 1 1 9 LEU HD22 H 6.605 -3.773 -1.142 1.00 . A A . 9 LEU HD22 1 1 5 730 1 1 9 LEU HD23 H 7.672 -5.130 -1.576 1.00 . A A . 9 LEU HD23 1 1 5 731 1 1 9 LEU HG H 5.724 -6.540 -2.028 1.00 . A A . 9 LEU HG 1 1 5 732 1 1 9 LEU N N 1.910 -5.711 -1.980 1.00 . A A . 9 LEU N 1 1 5 733 1 1 9 LEU O O 3.552 -8.017 0.082 1.00 . A A . 9 LEU O 1 1 5 734 1 1 10 MET C C 0.500 -6.839 2.383 1.00 . A A . 10 MET C 1 1 5 735 1 1 10 MET CA C 1.990 -6.859 2.056 1.00 . A A . 10 MET CA 1 1 5 736 1 1 10 MET CB C 2.766 -6.070 3.112 1.00 . A A . 10 MET CB 1 1 5 737 1 1 10 MET CE C 2.281 -2.800 1.070 1.00 . A A . 10 MET CE 1 1 5 738 1 1 10 MET CG C 2.384 -4.599 3.174 1.00 . A A . 10 MET CG 1 1 5 739 1 1 10 MET H H 1.817 -5.428 0.473 1.00 . A A . 10 MET H 1 1 5 740 1 1 10 MET HA H 2.335 -7.893 2.073 1.00 . A A . 10 MET HA 1 1 5 741 1 1 10 MET HB2 H 2.574 -6.518 4.087 1.00 . A A . 10 MET HB2 1 1 5 742 1 1 10 MET HB3 H 3.831 -6.147 2.895 1.00 . A A . 10 MET HB3 1 1 5 743 1 1 10 MET HE1 H 2.799 -2.125 0.389 1.00 . A A . 10 MET HE1 1 1 5 744 1 1 10 MET HE2 H 1.774 -3.576 0.496 1.00 . A A . 10 MET HE2 1 1 5 745 1 1 10 MET HE3 H 1.548 -2.239 1.650 1.00 . A A . 10 MET HE3 1 1 5 746 1 1 10 MET HG2 H 1.360 -4.484 2.820 1.00 . A A . 10 MET HG2 1 1 5 747 1 1 10 MET HG3 H 2.439 -4.268 4.211 1.00 . A A . 10 MET HG3 1 1 5 748 1 1 10 MET N N 2.238 -6.310 0.728 1.00 . A A . 10 MET N 1 1 5 749 1 1 10 MET O O -0.308 -6.310 1.618 1.00 . A A . 10 MET O 1 1 5 750 1 1 10 MET SD S 3.467 -3.557 2.178 1.00 . A A . 10 MET SD 1 1 6 751 1 1 1 GLY C C 6.754 7.648 -2.623 1.00 . A A . 1 GLY C 1 1 6 752 1 1 1 GLY CA C 8.146 8.026 -2.157 1.00 . A A . 1 GLY CA 1 1 6 753 1 1 1 GLY H1 H 9.094 9.417 -1.030 1.00 . A A . 1 GLY H1 1 1 6 754 1 1 1 GLY H2 H 7.769 9.989 -1.828 1.00 . A A . 1 GLY H2 1 1 6 755 1 1 1 GLY H3 H 7.581 9.037 -0.494 1.00 . A A . 1 GLY H3 1 1 6 756 1 1 1 GLY HA2 H 8.767 8.221 -3.032 1.00 . A A . 1 GLY HA2 1 1 6 757 1 1 1 GLY HA3 H 8.572 7.192 -1.599 1.00 . A A . 1 GLY HA3 1 1 6 758 1 1 1 GLY N N 8.148 9.207 -1.313 1.00 . A A . 1 GLY N 1 1 6 759 1 1 1 GLY O O 6.102 8.412 -3.332 1.00 . A A . 1 GLY O 1 1 6 760 1 1 2 ASN C C 3.990 6.127 -1.453 1.00 . A A . 2 ASN C 1 1 6 761 1 1 2 ASN CA C 4.976 5.985 -2.608 1.00 . A A . 2 ASN CA 1 1 6 762 1 1 2 ASN CB C 5.050 4.523 -3.055 1.00 . A A . 2 ASN CB 1 1 6 763 1 1 2 ASN CG C 5.337 3.581 -1.903 1.00 . A A . 2 ASN CG 1 1 6 764 1 1 2 ASN H H 6.884 5.882 -1.643 1.00 . A A . 2 ASN H 1 1 6 765 1 1 2 ASN HA H 4.619 6.586 -3.445 1.00 . A A . 2 ASN HA 1 1 6 766 1 1 2 ASN HB2 H 4.097 4.246 -3.505 1.00 . A A . 2 ASN HB2 1 1 6 767 1 1 2 ASN HB3 H 5.837 4.420 -3.802 1.00 . A A . 2 ASN HB3 1 1 6 768 1 1 2 ASN HD21 H 3.425 2.900 -1.940 1.00 . A A . 2 ASN HD21 1 1 6 769 1 1 2 ASN HD22 H 4.458 2.180 -0.726 1.00 . A A . 2 ASN HD22 1 1 6 770 1 1 2 ASN N N 6.299 6.464 -2.225 1.00 . A A . 2 ASN N 1 1 6 771 1 1 2 ASN ND2 N 4.326 2.827 -1.490 1.00 . A A . 2 ASN ND2 1 1 6 772 1 1 2 ASN O O 4.376 6.090 -0.285 1.00 . A A . 2 ASN O 1 1 6 773 1 1 2 ASN OD1 O 6.456 3.531 -1.391 1.00 . A A . 2 ASN OD1 1 1 6 774 1 1 3 HIS C C 0.657 5.297 -0.878 1.00 . A A . 3 HIS C 1 1 6 775 1 1 3 HIS CA C 1.671 6.433 -0.778 1.00 . A A . 3 HIS CA 1 1 6 776 1 1 3 HIS CB C 0.965 7.778 -0.935 1.00 . A A . 3 HIS CB 1 1 6 777 1 1 3 HIS CD2 C 0.740 8.050 1.639 1.00 . A A . 3 HIS CD2 1 1 6 778 1 1 3 HIS CE1 C -0.888 9.514 1.644 1.00 . A A . 3 HIS CE1 1 1 6 779 1 1 3 HIS CG C 0.398 8.323 0.348 1.00 . A A . 3 HIS CG 1 1 6 780 1 1 3 HIS H H 2.460 6.308 -2.765 1.00 . A A . 3 HIS H 1 1 6 781 1 1 3 HIS HA H 2.135 6.398 0.208 1.00 . A A . 3 HIS HA 1 1 6 782 1 1 3 HIS HB2 H 1.683 8.499 -1.326 1.00 . A A . 3 HIS HB2 1 1 6 783 1 1 3 HIS HB3 H 0.155 7.666 -1.655 1.00 . A A . 3 HIS HB3 1 1 6 784 1 1 3 HIS HD2 H 1.509 7.367 1.968 1.00 . A A . 3 HIS HD2 1 1 6 785 1 1 3 HIS HE1 H -1.646 10.203 1.986 1.00 . A A . 3 HIS HE1 1 1 6 786 1 1 3 HIS HE2 H -0.077 8.834 3.457 1.00 . A A . 3 HIS HE2 1 1 6 787 1 1 3 HIS N N 2.714 6.287 -1.788 1.00 . A A . 3 HIS N 1 1 6 788 1 1 3 HIS ND1 N -0.631 9.250 0.372 1.00 . A A . 3 HIS ND1 1 1 6 789 1 1 3 HIS NE2 N -0.083 8.812 2.447 1.00 . A A . 3 HIS NE2 1 1 6 790 1 1 3 HIS O O 0.477 4.530 0.067 1.00 . A A . 3 HIS O 1 1 6 791 1 1 4 TRP C C -0.333 2.836 -2.619 1.00 . A A . 4 TRP C 1 1 6 792 1 1 4 TRP CA C -0.999 4.156 -2.247 1.00 . A A . 4 TRP CA 1 1 6 793 1 1 4 TRP CB C -1.972 4.578 -3.348 1.00 . A A . 4 TRP CB 1 1 6 794 1 1 4 TRP CD1 C -0.165 4.693 -5.162 1.00 . A A . 4 TRP CD1 1 1 6 795 1 1 4 TRP CD2 C -2.121 3.852 -5.862 1.00 . A A . 4 TRP CD2 1 1 6 796 1 1 4 TRP CE2 C -1.222 3.861 -6.945 1.00 . A A . 4 TRP CE2 1 1 6 797 1 1 4 TRP CE3 C -3.415 3.366 -6.064 1.00 . A A . 4 TRP CE3 1 1 6 798 1 1 4 TRP CG C -1.426 4.388 -4.731 1.00 . A A . 4 TRP CG 1 1 6 799 1 1 4 TRP CH2 C -2.852 2.931 -8.380 1.00 . A A . 4 TRP CH2 1 1 6 800 1 1 4 TRP CZ2 C -1.578 3.402 -8.211 1.00 . A A . 4 TRP CZ2 1 1 6 801 1 1 4 TRP CZ3 C -3.768 2.911 -7.320 1.00 . A A . 4 TRP CZ3 1 1 6 802 1 1 4 TRP H H 0.191 5.860 -2.763 1.00 . A A . 4 TRP H 1 1 6 803 1 1 4 TRP HA H -1.561 4.012 -1.324 1.00 . A A . 4 TRP HA 1 1 6 804 1 1 4 TRP HB2 H -2.881 3.985 -3.251 1.00 . A A . 4 TRP HB2 1 1 6 805 1 1 4 TRP HB3 H -2.223 5.630 -3.211 1.00 . A A . 4 TRP HB3 1 1 6 806 1 1 4 TRP HD1 H 0.615 5.118 -4.547 1.00 . A A . 4 TRP HD1 1 1 6 807 1 1 4 TRP HE1 H 0.797 4.507 -7.049 1.00 . A A . 4 TRP HE1 1 1 6 808 1 1 4 TRP HE3 H -4.127 3.346 -5.252 1.00 . A A . 4 TRP HE3 1 1 6 809 1 1 4 TRP HH2 H -3.157 2.567 -9.350 1.00 . A A . 4 TRP HH2 1 1 6 810 1 1 4 TRP HZ2 H -0.874 3.417 -9.030 1.00 . A A . 4 TRP HZ2 1 1 6 811 1 1 4 TRP HZ3 H -4.766 2.534 -7.487 1.00 . A A . 4 TRP HZ3 1 1 6 812 1 1 4 TRP N N -0.002 5.198 -2.025 1.00 . A A . 4 TRP N 1 1 6 813 1 1 4 TRP NE1 N -0.037 4.378 -6.493 1.00 . A A . 4 TRP NE1 1 1 6 814 1 1 4 TRP O O 0.882 2.687 -2.497 1.00 . A A . 4 TRP O 1 1 6 815 1 1 5 ALA C C -0.049 -0.173 -2.268 1.00 . A A . 5 ALA C 1 1 6 816 1 1 5 ALA CA C -0.624 0.573 -3.467 1.00 . A A . 5 ALA CA 1 1 6 817 1 1 5 ALA CB C 0.431 0.725 -4.552 1.00 . A A . 5 ALA CB 1 1 6 818 1 1 5 ALA H H -2.127 2.065 -3.150 1.00 . A A . 5 ALA H 1 1 6 819 1 1 5 ALA HA H -1.450 -0.012 -3.871 1.00 . A A . 5 ALA HA 1 1 6 820 1 1 5 ALA HB1 H 0.261 -0.018 -5.331 1.00 . A A . 5 ALA HB1 1 1 6 821 1 1 5 ALA HB2 H 0.367 1.724 -4.983 1.00 . A A . 5 ALA HB2 1 1 6 822 1 1 5 ALA HB3 H 1.421 0.578 -4.120 1.00 . A A . 5 ALA HB3 1 1 6 823 1 1 5 ALA N N -1.137 1.881 -3.074 1.00 . A A . 5 ALA N 1 1 6 824 1 1 5 ALA O O 0.894 -0.953 -2.404 1.00 . A A . 5 ALA O 1 1 6 825 1 1 6 VAL C C -0.994 -1.825 0.429 1.00 . A A . 6 VAL C 1 1 6 826 1 1 6 VAL CA C -0.169 -0.579 0.130 1.00 . A A . 6 VAL CA 1 1 6 827 1 1 6 VAL CB C -0.245 0.377 1.333 1.00 . A A . 6 VAL CB 1 1 6 828 1 1 6 VAL CG1 C 0.590 1.622 1.083 1.00 . A A . 6 VAL CG1 1 1 6 829 1 1 6 VAL CG2 C -1.691 0.745 1.631 1.00 . A A . 6 VAL CG2 1 1 6 830 1 1 6 VAL H H -1.393 0.723 -1.049 1.00 . A A . 6 VAL H 1 1 6 831 1 1 6 VAL HA H 0.870 -0.879 -0.005 1.00 . A A . 6 VAL HA 1 1 6 832 1 1 6 VAL HB H 0.162 -0.137 2.203 1.00 . A A . 6 VAL HB 1 1 6 833 1 1 6 VAL HG11 H 1.620 1.333 0.872 1.00 . A A . 6 VAL HG11 1 1 6 834 1 1 6 VAL HG12 H 0.565 2.259 1.967 1.00 . A A . 6 VAL HG12 1 1 6 835 1 1 6 VAL HG13 H 0.184 2.167 0.231 1.00 . A A . 6 VAL HG13 1 1 6 836 1 1 6 VAL HG21 H -2.269 -0.163 1.806 1.00 . A A . 6 VAL HG21 1 1 6 837 1 1 6 VAL HG22 H -1.729 1.377 2.518 1.00 . A A . 6 VAL HG22 1 1 6 838 1 1 6 VAL HG23 H -2.111 1.285 0.782 1.00 . A A . 6 VAL HG23 1 1 6 839 1 1 6 VAL N N -0.623 0.071 -1.094 1.00 . A A . 6 VAL N 1 1 6 840 1 1 6 VAL O O -1.082 -2.263 1.575 1.00 . A A . 6 VAL O 1 1 6 841 1 1 7 GLY C C -2.092 -4.656 -1.462 1.00 . A A . 7 GLY C 1 1 6 842 1 1 7 GLY CA C -2.410 -3.584 -0.437 1.00 . A A . 7 GLY CA 1 1 6 843 1 1 7 GLY H H -1.493 -1.989 -1.530 1.00 . A A . 7 GLY H 1 1 6 844 1 1 7 GLY HA2 H -2.239 -3.987 0.561 1.00 . A A . 7 GLY HA2 1 1 6 845 1 1 7 GLY HA3 H -3.460 -3.309 -0.533 1.00 . A A . 7 GLY HA3 1 1 6 846 1 1 7 GLY N N -1.599 -2.392 -0.610 1.00 . A A . 7 GLY N 1 1 6 847 1 1 7 GLY O O -2.988 -5.348 -1.945 1.00 . A A . 7 GLY O 1 1 6 848 1 1 8 HIS C C 0.897 -6.481 -2.308 1.00 . A A . 8 HIS C 1 1 6 849 1 1 8 HIS CA C -0.379 -5.785 -2.772 1.00 . A A . 8 HIS CA 1 1 6 850 1 1 8 HIS CB C -0.148 -5.127 -4.134 1.00 . A A . 8 HIS CB 1 1 6 851 1 1 8 HIS CD2 C -1.174 -2.856 -4.864 1.00 . A A . 8 HIS CD2 1 1 6 852 1 1 8 HIS CE1 C -3.266 -3.494 -4.976 1.00 . A A . 8 HIS CE1 1 1 6 853 1 1 8 HIS CG C -1.243 -4.175 -4.528 1.00 . A A . 8 HIS CG 1 1 6 854 1 1 8 HIS H H -0.124 -4.191 -1.364 1.00 . A A . 8 HIS H 1 1 6 855 1 1 8 HIS HA H -1.164 -6.534 -2.877 1.00 . A A . 8 HIS HA 1 1 6 856 1 1 8 HIS HB2 H 0.792 -4.577 -4.097 1.00 . A A . 8 HIS HB2 1 1 6 857 1 1 8 HIS HB3 H -0.070 -5.906 -4.892 1.00 . A A . 8 HIS HB3 1 1 6 858 1 1 8 HIS HD2 H -0.281 -2.250 -4.904 1.00 . A A . 8 HIS HD2 1 1 6 859 1 1 8 HIS HE1 H -4.336 -3.480 -5.122 1.00 . A A . 8 HIS HE1 1 1 6 860 1 1 8 HIS HE2 H -2.746 -1.512 -5.426 1.00 . A A . 8 HIS HE2 1 1 6 861 1 1 8 HIS N N -0.812 -4.791 -1.796 1.00 . A A . 8 HIS N 1 1 6 862 1 1 8 HIS ND1 N -2.571 -4.560 -4.605 1.00 . A A . 8 HIS ND1 1 1 6 863 1 1 8 HIS NE2 N -2.464 -2.440 -5.145 1.00 . A A . 8 HIS NE2 1 1 6 864 1 1 8 HIS O O 0.945 -7.708 -2.204 1.00 . A A . 8 HIS O 1 1 6 865 1 1 9 LEU C C 3.056 -6.926 -0.228 1.00 . A A . 9 LEU C 1 1 6 866 1 1 9 LEU CA C 3.206 -6.231 -1.578 1.00 . A A . 9 LEU CA 1 1 6 867 1 1 9 LEU CB C 4.247 -5.116 -1.478 1.00 . A A . 9 LEU CB 1 1 6 868 1 1 9 LEU CD1 C 5.671 -4.884 -3.527 1.00 . A A . 9 LEU CD1 1 1 6 869 1 1 9 LEU CD2 C 6.726 -4.809 -1.260 1.00 . A A . 9 LEU CD2 1 1 6 870 1 1 9 LEU CG C 5.611 -5.413 -2.102 1.00 . A A . 9 LEU CG 1 1 6 871 1 1 9 LEU H H 1.825 -4.693 -2.137 1.00 . A A . 9 LEU H 1 1 6 872 1 1 9 LEU HA H 3.552 -6.963 -2.308 1.00 . A A . 9 LEU HA 1 1 6 873 1 1 9 LEU HB2 H 3.839 -4.234 -1.972 1.00 . A A . 9 LEU HB2 1 1 6 874 1 1 9 LEU HB3 H 4.396 -4.880 -0.424 1.00 . A A . 9 LEU HB3 1 1 6 875 1 1 9 LEU HD11 H 4.866 -5.327 -4.114 1.00 . A A . 9 LEU HD11 1 1 6 876 1 1 9 LEU HD12 H 5.559 -3.800 -3.517 1.00 . A A . 9 LEU HD12 1 1 6 877 1 1 9 LEU HD13 H 6.631 -5.146 -3.972 1.00 . A A . 9 LEU HD13 1 1 6 878 1 1 9 LEU HD21 H 6.667 -5.199 -0.244 1.00 . A A . 9 LEU HD21 1 1 6 879 1 1 9 LEU HD22 H 6.619 -3.725 -1.239 1.00 . A A . 9 LEU HD22 1 1 6 880 1 1 9 LEU HD23 H 7.691 -5.070 -1.694 1.00 . A A . 9 LEU HD23 1 1 6 881 1 1 9 LEU HG H 5.748 -6.494 -2.130 1.00 . A A . 9 LEU HG 1 1 6 882 1 1 9 LEU N N 1.928 -5.692 -2.031 1.00 . A A . 9 LEU N 1 1 6 883 1 1 9 LEU O O 3.652 -7.975 0.011 1.00 . A A . 9 LEU O 1 1 6 884 1 1 10 MET C C 0.535 -6.910 2.309 1.00 . A A . 10 MET C 1 1 6 885 1 1 10 MET CA C 2.024 -6.895 1.976 1.00 . A A . 10 MET CA 1 1 6 886 1 1 10 MET CB C 2.788 -6.096 3.034 1.00 . A A . 10 MET CB 1 1 6 887 1 1 10 MET CE C 2.229 -2.834 1.004 1.00 . A A . 10 MET CE 1 1 6 888 1 1 10 MET CG C 2.375 -4.635 3.106 1.00 . A A . 10 MET CG 1 1 6 889 1 1 10 MET H H 1.795 -5.470 0.395 1.00 . A A . 10 MET H 1 1 6 890 1 1 10 MET HA H 2.391 -7.921 1.985 1.00 . A A . 10 MET HA 1 1 6 891 1 1 10 MET HB2 H 2.609 -6.553 4.007 1.00 . A A . 10 MET HB2 1 1 6 892 1 1 10 MET HB3 H 3.854 -6.149 2.812 1.00 . A A . 10 MET HB3 1 1 6 893 1 1 10 MET HE1 H 2.731 -2.145 0.325 1.00 . A A . 10 MET HE1 1 1 6 894 1 1 10 MET HE2 H 1.483 -2.292 1.585 1.00 . A A . 10 MET HE2 1 1 6 895 1 1 10 MET HE3 H 1.741 -3.621 0.429 1.00 . A A . 10 MET HE3 1 1 6 896 1 1 10 MET HG2 H 1.350 -4.544 2.746 1.00 . A A . 10 MET HG2 1 1 6 897 1 1 10 MET HG3 H 2.416 -4.307 4.145 1.00 . A A . 10 MET HG3 1 1 6 898 1 1 10 MET N N 2.255 -6.332 0.651 1.00 . A A . 10 MET N 1 1 6 899 1 1 10 MET O O 0.140 -7.269 3.419 1.00 . A A . 10 MET O 1 1 6 900 1 1 10 MET SD S 3.432 -3.564 2.112 1.00 . A A . 10 MET SD 1 1 7 901 1 1 1 GLY C C 6.303 6.722 -3.035 1.00 . A A . 1 GLY C 1 1 7 902 1 1 1 GLY CA C 7.653 7.078 -2.443 1.00 . A A . 1 GLY CA 1 1 7 903 1 1 1 GLY H1 H 9.472 6.220 -2.194 1.00 . A A . 1 GLY H1 1 1 7 904 1 1 1 GLY H2 H 8.421 5.318 -3.088 1.00 . A A . 1 GLY H2 1 1 7 905 1 1 1 GLY H3 H 8.241 5.412 -1.452 1.00 . A A . 1 GLY H3 1 1 7 906 1 1 1 GLY HA2 H 7.501 7.544 -1.469 1.00 . A A . 1 GLY HA2 1 1 7 907 1 1 1 GLY HA3 H 8.147 7.790 -3.103 1.00 . A A . 1 GLY HA3 1 1 7 908 1 1 1 GLY N N 8.512 5.919 -2.282 1.00 . A A . 1 GLY N 1 1 7 909 1 1 1 GLY O O 5.792 7.431 -3.899 1.00 . A A . 1 GLY O 1 1 7 910 1 1 2 ASN C C 3.390 5.183 -1.946 1.00 . A A . 2 ASN C 1 1 7 911 1 1 2 ASN CA C 4.431 5.168 -3.062 1.00 . A A . 2 ASN CA 1 1 7 912 1 1 2 ASN CB C 4.545 3.759 -3.649 1.00 . A A . 2 ASN CB 1 1 7 913 1 1 2 ASN CG C 5.451 3.712 -4.865 1.00 . A A . 2 ASN CG 1 1 7 914 1 1 2 ASN H H 6.199 5.078 -1.859 1.00 . A A . 2 ASN H 1 1 7 915 1 1 2 ASN HA H 4.104 5.847 -3.850 1.00 . A A . 2 ASN HA 1 1 7 916 1 1 2 ASN HB2 H 4.948 3.093 -2.886 1.00 . A A . 2 ASN HB2 1 1 7 917 1 1 2 ASN HB3 H 3.552 3.412 -3.933 1.00 . A A . 2 ASN HB3 1 1 7 918 1 1 2 ASN HD21 H 6.524 2.194 -4.048 1.00 . A A . 2 ASN HD21 1 1 7 919 1 1 2 ASN HD22 H 7.055 2.727 -5.627 1.00 . A A . 2 ASN HD22 1 1 7 920 1 1 2 ASN N N 5.727 5.618 -2.570 1.00 . A A . 2 ASN N 1 1 7 921 1 1 2 ASN ND2 N 6.421 2.805 -4.845 1.00 . A A . 2 ASN ND2 1 1 7 922 1 1 2 ASN O O 3.220 4.196 -1.228 1.00 . A A . 2 ASN O 1 1 7 923 1 1 2 ASN OD1 O 5.280 4.481 -5.811 1.00 . A A . 2 ASN OD1 1 1 7 924 1 1 3 HIS C C 0.649 5.323 -0.869 1.00 . A A . 3 HIS C 1 1 7 925 1 1 3 HIS CA C 1.672 6.450 -0.777 1.00 . A A . 3 HIS CA 1 1 7 926 1 1 3 HIS CB C 0.971 7.802 -0.909 1.00 . A A . 3 HIS CB 1 1 7 927 1 1 3 HIS CD2 C -0.254 7.421 1.348 1.00 . A A . 3 HIS CD2 1 1 7 928 1 1 3 HIS CE1 C -1.674 9.082 1.202 1.00 . A A . 3 HIS CE1 1 1 7 929 1 1 3 HIS CG C -0.035 8.077 0.173 1.00 . A A . 3 HIS CG 1 1 7 930 1 1 3 HIS H H 2.884 7.083 -2.426 1.00 . A A . 3 HIS H 1 1 7 931 1 1 3 HIS HA H 2.153 6.403 0.200 1.00 . A A . 3 HIS HA 1 1 7 932 1 1 3 HIS HB2 H 1.725 8.589 -0.894 1.00 . A A . 3 HIS HB2 1 1 7 933 1 1 3 HIS HB3 H 0.457 7.829 -1.870 1.00 . A A . 3 HIS HB3 1 1 7 934 1 1 3 HIS HD2 H 0.283 6.557 1.711 1.00 . A A . 3 HIS HD2 1 1 7 935 1 1 3 HIS HE1 H -2.470 9.774 1.434 1.00 . A A . 3 HIS HE1 1 1 7 936 1 1 3 HIS HE2 H -1.694 7.826 2.883 1.00 . A A . 3 HIS HE2 1 1 7 937 1 1 3 HIS N N 2.697 6.308 -1.806 1.00 . A A . 3 HIS N 1 1 7 938 1 1 3 HIS ND1 N -0.941 9.122 0.099 1.00 . A A . 3 HIS ND1 1 1 7 939 1 1 3 HIS NE2 N -1.295 8.071 1.988 1.00 . A A . 3 HIS NE2 1 1 7 940 1 1 3 HIS O O 0.436 4.586 0.094 1.00 . A A . 3 HIS O 1 1 7 941 1 1 4 TRP C C -0.322 2.833 -2.619 1.00 . A A . 4 TRP C 1 1 7 942 1 1 4 TRP CA C -0.982 4.156 -2.249 1.00 . A A . 4 TRP CA 1 1 7 943 1 1 4 TRP CB C -1.956 4.581 -3.349 1.00 . A A . 4 TRP CB 1 1 7 944 1 1 4 TRP CD1 C -0.152 4.685 -5.166 1.00 . A A . 4 TRP CD1 1 1 7 945 1 1 4 TRP CD2 C -2.113 3.851 -5.860 1.00 . A A . 4 TRP CD2 1 1 7 946 1 1 4 TRP CE2 C -1.216 3.853 -6.946 1.00 . A A . 4 TRP CE2 1 1 7 947 1 1 4 TRP CE3 C -3.409 3.370 -6.058 1.00 . A A . 4 TRP CE3 1 1 7 948 1 1 4 TRP CG C -1.412 4.387 -4.732 1.00 . A A . 4 TRP CG 1 1 7 949 1 1 4 TRP CH2 C -2.852 2.927 -8.375 1.00 . A A . 4 TRP CH2 1 1 7 950 1 1 4 TRP CZ2 C -1.576 3.393 -8.209 1.00 . A A . 4 TRP CZ2 1 1 7 951 1 1 4 TRP CZ3 C -3.766 2.913 -7.314 1.00 . A A . 4 TRP CZ3 1 1 7 952 1 1 4 TRP H H 0.240 5.832 -2.784 1.00 . A A . 4 TRP H 1 1 7 953 1 1 4 TRP HA H -1.543 4.017 -1.325 1.00 . A A . 4 TRP HA 1 1 7 954 1 1 4 TRP HB2 H -2.867 3.991 -3.250 1.00 . A A . 4 TRP HB2 1 1 7 955 1 1 4 TRP HB3 H -2.202 5.634 -3.213 1.00 . A A . 4 TRP HB3 1 1 7 956 1 1 4 TRP HD1 H 0.631 5.108 -4.554 1.00 . A A . 4 TRP HD1 1 1 7 957 1 1 4 TRP HE1 H 0.805 4.490 -7.054 1.00 . A A . 4 TRP HE1 1 1 7 958 1 1 4 TRP HE3 H -4.120 3.355 -5.245 1.00 . A A . 4 TRP HE3 1 1 7 959 1 1 4 TRP HH2 H -3.160 2.563 -9.344 1.00 . A A . 4 TRP HH2 1 1 7 960 1 1 4 TRP HZ2 H -0.873 3.403 -9.029 1.00 . A A . 4 TRP HZ2 1 1 7 961 1 1 4 TRP HZ3 H -4.766 2.539 -7.479 1.00 . A A . 4 TRP HZ3 1 1 7 962 1 1 4 TRP N N 0.020 5.195 -2.032 1.00 . A A . 4 TRP N 1 1 7 963 1 1 4 TRP NE1 N -0.028 4.366 -6.497 1.00 . A A . 4 TRP NE1 1 1 7 964 1 1 4 TRP O O 0.893 2.680 -2.499 1.00 . A A . 4 TRP O 1 1 7 965 1 1 5 ALA C C -0.051 -0.176 -2.261 1.00 . A A . 5 ALA C 1 1 7 966 1 1 5 ALA CA C -0.625 0.571 -3.461 1.00 . A A . 5 ALA CA 1 1 7 967 1 1 5 ALA CB C 0.430 0.714 -4.548 1.00 . A A . 5 ALA CB 1 1 7 968 1 1 5 ALA H H -2.121 2.068 -3.146 1.00 . A A . 5 ALA H 1 1 7 969 1 1 5 ALA HA H -1.454 -0.011 -3.863 1.00 . A A . 5 ALA HA 1 1 7 970 1 1 5 ALA HB1 H 0.255 -0.030 -5.325 1.00 . A A . 5 ALA HB1 1 1 7 971 1 1 5 ALA HB2 H 0.371 1.712 -4.982 1.00 . A A . 5 ALA HB2 1 1 7 972 1 1 5 ALA HB3 H 1.419 0.563 -4.116 1.00 . A A . 5 ALA HB3 1 1 7 973 1 1 5 ALA N N -1.131 1.880 -3.071 1.00 . A A . 5 ALA N 1 1 7 974 1 1 5 ALA O O 0.894 -0.954 -2.395 1.00 . A A . 5 ALA O 1 1 7 975 1 1 6 VAL C C -1.001 -1.832 0.433 1.00 . A A . 6 VAL C 1 1 7 976 1 1 6 VAL CA C -0.175 -0.586 0.136 1.00 . A A . 6 VAL CA 1 1 7 977 1 1 6 VAL CB C -0.253 0.370 1.339 1.00 . A A . 6 VAL CB 1 1 7 978 1 1 6 VAL CG1 C 0.590 1.612 1.094 1.00 . A A . 6 VAL CG1 1 1 7 979 1 1 6 VAL CG2 C -1.698 0.747 1.628 1.00 . A A . 6 VAL CG2 1 1 7 980 1 1 6 VAL H H -1.401 0.714 -1.045 1.00 . A A . 6 VAL H 1 1 7 981 1 1 6 VAL HA H 0.864 -0.886 0.002 1.00 . A A . 6 VAL HA 1 1 7 982 1 1 6 VAL HB H 0.146 -0.147 2.212 1.00 . A A . 6 VAL HB 1 1 7 983 1 1 6 VAL HG11 H 1.620 1.318 0.889 1.00 . A A . 6 VAL HG11 1 1 7 984 1 1 6 VAL HG12 H 0.563 2.249 1.978 1.00 . A A . 6 VAL HG12 1 1 7 985 1 1 6 VAL HG13 H 0.191 2.159 0.239 1.00 . A A . 6 VAL HG13 1 1 7 986 1 1 6 VAL HG21 H -2.282 -0.157 1.800 1.00 . A A . 6 VAL HG21 1 1 7 987 1 1 6 VAL HG22 H -1.738 1.379 2.515 1.00 . A A . 6 VAL HG22 1 1 7 988 1 1 6 VAL HG23 H -2.109 1.289 0.776 1.00 . A A . 6 VAL HG23 1 1 7 989 1 1 6 VAL N N -0.629 0.065 -1.089 1.00 . A A . 6 VAL N 1 1 7 990 1 1 6 VAL O O -1.092 -2.268 1.580 1.00 . A A . 6 VAL O 1 1 7 991 1 1 7 GLY C C -2.094 -4.662 -1.464 1.00 . A A . 7 GLY C 1 1 7 992 1 1 7 GLY CA C -2.410 -3.593 -0.437 1.00 . A A . 7 GLY CA 1 1 7 993 1 1 7 GLY H H -1.490 -2.001 -1.527 1.00 . A A . 7 GLY H 1 1 7 994 1 1 7 GLY HA2 H -2.229 -4.000 0.558 1.00 . A A . 7 GLY HA2 1 1 7 995 1 1 7 GLY HA3 H -3.462 -3.321 -0.522 1.00 . A A . 7 GLY HA3 1 1 7 996 1 1 7 GLY N N -1.600 -2.402 -0.607 1.00 . A A . 7 GLY N 1 1 7 997 1 1 7 GLY O O -2.991 -5.354 -1.946 1.00 . A A . 7 GLY O 1 1 7 998 1 1 8 HIS C C 0.895 -6.485 -2.317 1.00 . A A . 8 HIS C 1 1 7 999 1 1 8 HIS CA C -0.382 -5.789 -2.777 1.00 . A A . 8 HIS CA 1 1 7 1000 1 1 8 HIS CB C -0.155 -5.128 -4.138 1.00 . A A . 8 HIS CB 1 1 7 1001 1 1 8 HIS CD2 C -1.182 -2.856 -4.862 1.00 . A A . 8 HIS CD2 1 1 7 1002 1 1 8 HIS CE1 C -3.274 -3.494 -4.972 1.00 . A A . 8 HIS CE1 1 1 7 1003 1 1 8 HIS CG C -1.251 -4.175 -4.529 1.00 . A A . 8 HIS CG 1 1 7 1004 1 1 8 HIS H H -0.126 -4.198 -1.368 1.00 . A A . 8 HIS H 1 1 7 1005 1 1 8 HIS HA H -1.167 -6.538 -2.882 1.00 . A A . 8 HIS HA 1 1 7 1006 1 1 8 HIS HB2 H 0.785 -4.577 -4.102 1.00 . A A . 8 HIS HB2 1 1 7 1007 1 1 8 HIS HB3 H -0.078 -5.906 -4.898 1.00 . A A . 8 HIS HB3 1 1 7 1008 1 1 8 HIS HD2 H -0.289 -2.250 -4.902 1.00 . A A . 8 HIS HD2 1 1 7 1009 1 1 8 HIS HE1 H -4.344 -3.480 -5.117 1.00 . A A . 8 HIS HE1 1 1 7 1010 1 1 8 HIS HE2 H -2.754 -1.510 -5.418 1.00 . A A . 8 HIS HE2 1 1 7 1011 1 1 8 HIS N N -0.815 -4.797 -1.800 1.00 . A A . 8 HIS N 1 1 7 1012 1 1 8 HIS ND1 N -2.579 -4.561 -4.604 1.00 . A A . 8 HIS ND1 1 1 7 1013 1 1 8 HIS NE2 N -2.472 -2.439 -5.140 1.00 . A A . 8 HIS NE2 1 1 7 1014 1 1 8 HIS O O 0.947 -7.712 -2.224 1.00 . A A . 8 HIS O 1 1 7 1015 1 1 9 LEU C C 3.054 -6.925 -0.229 1.00 . A A . 9 LEU C 1 1 7 1016 1 1 9 LEU CA C 3.201 -6.234 -1.580 1.00 . A A . 9 LEU CA 1 1 7 1017 1 1 9 LEU CB C 4.244 -5.118 -1.484 1.00 . A A . 9 LEU CB 1 1 7 1018 1 1 9 LEU CD1 C 5.655 -4.917 -3.546 1.00 . A A . 9 LEU CD1 1 1 7 1019 1 1 9 LEU CD2 C 6.720 -4.788 -1.287 1.00 . A A . 9 LEU CD2 1 1 7 1020 1 1 9 LEU CG C 5.606 -5.417 -2.111 1.00 . A A . 9 LEU CG 1 1 7 1021 1 1 9 LEU H H 1.817 -4.694 -2.126 1.00 . A A . 9 LEU H 1 1 7 1022 1 1 9 LEU HA H 3.544 -6.968 -2.310 1.00 . A A . 9 LEU HA 1 1 7 1023 1 1 9 LEU HB2 H 3.836 -4.226 -1.959 1.00 . A A . 9 LEU HB2 1 1 7 1024 1 1 9 LEU HB3 H 4.404 -4.901 -0.428 1.00 . A A . 9 LEU HB3 1 1 7 1025 1 1 9 LEU HD11 H 4.851 -5.378 -4.120 1.00 . A A . 9 LEU HD11 1 1 7 1026 1 1 9 LEU HD12 H 5.534 -3.834 -3.557 1.00 . A A . 9 LEU HD12 1 1 7 1027 1 1 9 LEU HD13 H 6.615 -5.180 -3.990 1.00 . A A . 9 LEU HD13 1 1 7 1028 1 1 9 LEU HD21 H 6.669 -5.158 -0.263 1.00 . A A . 9 LEU HD21 1 1 7 1029 1 1 9 LEU HD22 H 6.604 -3.704 -1.288 1.00 . A A . 9 LEU HD22 1 1 7 1030 1 1 9 LEU HD23 H 7.685 -5.051 -1.720 1.00 . A A . 9 LEU HD23 1 1 7 1031 1 1 9 LEU HG H 5.752 -6.497 -2.118 1.00 . A A . 9 LEU HG 1 1 7 1032 1 1 9 LEU N N 1.923 -5.694 -2.030 1.00 . A A . 9 LEU N 1 1 7 1033 1 1 9 LEU O O 3.655 -7.971 0.013 1.00 . A A . 9 LEU O 1 1 7 1034 1 1 10 MET C C 0.539 -6.867 2.329 1.00 . A A . 10 MET C 1 1 7 1035 1 1 10 MET CA C 2.022 -6.896 1.975 1.00 . A A . 10 MET CA 1 1 7 1036 1 1 10 MET CB C 2.823 -6.123 3.024 1.00 . A A . 10 MET CB 1 1 7 1037 1 1 10 MET CE C 2.214 -2.814 1.071 1.00 . A A . 10 MET CE 1 1 7 1038 1 1 10 MET CG C 2.433 -4.657 3.129 1.00 . A A . 10 MET CG 1 1 7 1039 1 1 10 MET H H 1.786 -5.475 0.391 1.00 . A A . 10 MET H 1 1 7 1040 1 1 10 MET HA H 2.359 -7.933 1.975 1.00 . A A . 10 MET HA 1 1 7 1041 1 1 10 MET HB2 H 2.663 -6.592 3.995 1.00 . A A . 10 MET HB2 1 1 7 1042 1 1 10 MET HB3 H 3.882 -6.187 2.774 1.00 . A A . 10 MET HB3 1 1 7 1043 1 1 10 MET HE1 H 2.694 -2.123 0.378 1.00 . A A . 10 MET HE1 1 1 7 1044 1 1 10 MET HE2 H 1.679 -3.579 0.508 1.00 . A A . 10 MET HE2 1 1 7 1045 1 1 10 MET HE3 H 1.511 -2.268 1.700 1.00 . A A . 10 MET HE3 1 1 7 1046 1 1 10 MET HG2 H 1.394 -4.549 2.818 1.00 . A A . 10 MET HG2 1 1 7 1047 1 1 10 MET HG3 H 2.525 -4.340 4.168 1.00 . A A . 10 MET HG3 1 1 7 1048 1 1 10 MET N N 2.250 -6.334 0.649 1.00 . A A . 10 MET N 1 1 7 1049 1 1 10 MET O O 0.165 -7.003 3.495 1.00 . A A . 10 MET O 1 1 7 1050 1 1 10 MET SD S 3.457 -3.590 2.099 1.00 . A A . 10 MET SD 1 1 8 1051 1 1 1 GLY C C 6.899 5.012 -1.907 1.00 . A A . 1 GLY C 1 1 8 1052 1 1 1 GLY CA C 8.037 4.208 -1.312 1.00 . A A . 1 GLY CA 1 1 8 1053 1 1 1 GLY H1 H 9.028 3.958 0.437 1.00 . A A . 1 GLY H1 1 1 8 1054 1 1 1 GLY H2 H 7.427 4.312 0.617 1.00 . A A . 1 GLY H2 1 1 8 1055 1 1 1 GLY H3 H 8.490 5.496 0.184 1.00 . A A . 1 GLY H3 1 1 8 1056 1 1 1 GLY HA2 H 8.948 4.426 -1.869 1.00 . A A . 1 GLY HA2 1 1 8 1057 1 1 1 GLY HA3 H 7.809 3.147 -1.408 1.00 . A A . 1 GLY HA3 1 1 8 1058 1 1 1 GLY N N 8.263 4.517 0.088 1.00 . A A . 1 GLY N 1 1 8 1059 1 1 1 GLY O O 7.035 6.211 -2.146 1.00 . A A . 1 GLY O 1 1 8 1060 1 1 2 ASN C C 3.480 5.115 -1.696 1.00 . A A . 2 ASN C 1 1 8 1061 1 1 2 ASN CA C 4.605 5.011 -2.721 1.00 . A A . 2 ASN CA 1 1 8 1062 1 1 2 ASN CB C 4.117 4.249 -3.955 1.00 . A A . 2 ASN CB 1 1 8 1063 1 1 2 ASN CG C 3.412 5.151 -4.951 1.00 . A A . 2 ASN CG 1 1 8 1064 1 1 2 ASN H H 5.721 3.365 -1.931 1.00 . A A . 2 ASN H 1 1 8 1065 1 1 2 ASN HA H 4.891 6.018 -3.025 1.00 . A A . 2 ASN HA 1 1 8 1066 1 1 2 ASN HB2 H 4.976 3.790 -4.445 1.00 . A A . 2 ASN HB2 1 1 8 1067 1 1 2 ASN HB3 H 3.429 3.465 -3.638 1.00 . A A . 2 ASN HB3 1 1 8 1068 1 1 2 ASN HD21 H 3.916 3.915 -6.481 1.00 . A A . 2 ASN HD21 1 1 8 1069 1 1 2 ASN HD22 H 2.988 5.329 -6.928 1.00 . A A . 2 ASN HD22 1 1 8 1070 1 1 2 ASN N N 5.771 4.350 -2.149 1.00 . A A . 2 ASN N 1 1 8 1071 1 1 2 ASN ND2 N 3.441 4.768 -6.221 1.00 . A A . 2 ASN ND2 1 1 8 1072 1 1 2 ASN O O 3.268 4.204 -0.896 1.00 . A A . 2 ASN O 1 1 8 1073 1 1 2 ASN OD1 O 2.848 6.181 -4.580 1.00 . A A . 2 ASN OD1 1 1 8 1074 1 1 3 HIS C C 0.638 5.325 -0.886 1.00 . A A . 3 HIS C 1 1 8 1075 1 1 3 HIS CA C 1.656 6.457 -0.800 1.00 . A A . 3 HIS CA 1 1 8 1076 1 1 3 HIS CB C 0.978 7.792 -1.095 1.00 . A A . 3 HIS CB 1 1 8 1077 1 1 3 HIS CD2 C -0.241 7.700 1.196 1.00 . A A . 3 HIS CD2 1 1 8 1078 1 1 3 HIS CE1 C -1.133 9.699 1.141 1.00 . A A . 3 HIS CE1 1 1 8 1079 1 1 3 HIS CG C 0.122 8.305 0.030 1.00 . A A . 3 HIS CG 1 1 8 1080 1 1 3 HIS H H 2.985 6.945 -2.407 1.00 . A A . 3 HIS H 1 1 8 1081 1 1 3 HIS HA H 2.055 6.488 0.214 1.00 . A A . 3 HIS HA 1 1 8 1082 1 1 3 HIS HB2 H 1.746 8.533 -1.315 1.00 . A A . 3 HIS HB2 1 1 8 1083 1 1 3 HIS HB3 H 0.348 7.669 -1.976 1.00 . A A . 3 HIS HB3 1 1 8 1084 1 1 3 HIS HD2 H 0.039 6.708 1.519 1.00 . A A . 3 HIS HD2 1 1 8 1085 1 1 3 HIS HE1 H -1.692 10.580 1.419 1.00 . A A . 3 HIS HE1 1 1 8 1086 1 1 3 HIS HE2 H -1.464 8.444 2.790 1.00 . A A . 3 HIS HE2 1 1 8 1087 1 1 3 HIS N N 2.761 6.233 -1.726 1.00 . A A . 3 HIS N 1 1 8 1088 1 1 3 HIS ND1 N -0.451 9.566 0.013 1.00 . A A . 3 HIS ND1 1 1 8 1089 1 1 3 HIS NE2 N -1.036 8.596 1.888 1.00 . A A . 3 HIS NE2 1 1 8 1090 1 1 3 HIS O O 0.438 4.582 0.075 1.00 . A A . 3 HIS O 1 1 8 1091 1 1 4 TRP C C -0.341 2.836 -2.628 1.00 . A A . 4 TRP C 1 1 8 1092 1 1 4 TRP CA C -1.003 4.158 -2.253 1.00 . A A . 4 TRP CA 1 1 8 1093 1 1 4 TRP CB C -1.985 4.579 -3.348 1.00 . A A . 4 TRP CB 1 1 8 1094 1 1 4 TRP CD1 C -0.192 4.688 -5.177 1.00 . A A . 4 TRP CD1 1 1 8 1095 1 1 4 TRP CD2 C -2.154 3.848 -5.859 1.00 . A A . 4 TRP CD2 1 1 8 1096 1 1 4 TRP CE2 C -1.263 3.854 -6.950 1.00 . A A . 4 TRP CE2 1 1 8 1097 1 1 4 TRP CE3 C -3.450 3.363 -6.050 1.00 . A A . 4 TRP CE3 1 1 8 1098 1 1 4 TRP CG C -1.449 4.386 -4.734 1.00 . A A . 4 TRP CG 1 1 8 1099 1 1 4 TRP CH2 C -2.905 2.922 -8.370 1.00 . A A . 4 TRP CH2 1 1 8 1100 1 1 4 TRP CZ2 C -1.630 3.392 -8.211 1.00 . A A . 4 TRP CZ2 1 1 8 1101 1 1 4 TRP CZ3 C -3.812 2.905 -7.302 1.00 . A A . 4 TRP CZ3 1 1 8 1102 1 1 4 TRP H H 0.207 5.841 -2.795 1.00 . A A . 4 TRP H 1 1 8 1103 1 1 4 TRP HA H -1.557 4.017 -1.325 1.00 . A A . 4 TRP HA 1 1 8 1104 1 1 4 TRP HB2 H -2.894 3.986 -3.243 1.00 . A A . 4 TRP HB2 1 1 8 1105 1 1 4 TRP HB3 H -2.234 5.631 -3.211 1.00 . A A . 4 TRP HB3 1 1 8 1106 1 1 4 TRP HD1 H 0.593 5.114 -4.570 1.00 . A A . 4 TRP HD1 1 1 8 1107 1 1 4 TRP HE1 H 0.755 4.496 -7.071 1.00 . A A . 4 TRP HE1 1 1 8 1108 1 1 4 TRP HE3 H -4.156 3.346 -5.233 1.00 . A A . 4 TRP HE3 1 1 8 1109 1 1 4 TRP HH2 H -3.218 2.557 -9.337 1.00 . A A . 4 TRP HH2 1 1 8 1110 1 1 4 TRP HZ2 H -0.932 3.404 -9.035 1.00 . A A . 4 TRP HZ2 1 1 8 1111 1 1 4 TRP HZ3 H -4.811 2.527 -7.460 1.00 . A A . 4 TRP HZ3 1 1 8 1112 1 1 4 TRP N N -0.003 5.200 -2.043 1.00 . A A . 4 TRP N 1 1 8 1113 1 1 4 TRP NE1 N -0.074 4.370 -6.509 1.00 . A A . 4 TRP NE1 1 1 8 1114 1 1 4 TRP O O 0.876 2.687 -2.516 1.00 . A A . 4 TRP O 1 1 8 1115 1 1 5 ALA C C -0.058 -0.172 -2.272 1.00 . A A . 5 ALA C 1 1 8 1116 1 1 5 ALA CA C -0.641 0.573 -3.469 1.00 . A A . 5 ALA CA 1 1 8 1117 1 1 5 ALA CB C 0.407 0.721 -4.562 1.00 . A A . 5 ALA CB 1 1 8 1118 1 1 5 ALA H H -2.140 2.066 -3.143 1.00 . A A . 5 ALA H 1 1 8 1119 1 1 5 ALA HA H -1.471 -0.012 -3.866 1.00 . A A . 5 ALA HA 1 1 8 1120 1 1 5 ALA HB1 H 0.231 -0.023 -5.338 1.00 . A A . 5 ALA HB1 1 1 8 1121 1 1 5 ALA HB2 H 0.342 1.719 -4.995 1.00 . A A . 5 ALA HB2 1 1 8 1122 1 1 5 ALA HB3 H 1.399 0.574 -4.136 1.00 . A A . 5 ALA HB3 1 1 8 1123 1 1 5 ALA N N -1.149 1.881 -3.075 1.00 . A A . 5 ALA N 1 1 8 1124 1 1 5 ALA O O 0.888 -0.949 -2.413 1.00 . A A . 5 ALA O 1 1 8 1125 1 1 6 VAL C C -0.984 -1.826 0.429 1.00 . A A . 6 VAL C 1 1 8 1126 1 1 6 VAL CA C -0.163 -0.578 0.126 1.00 . A A . 6 VAL CA 1 1 8 1127 1 1 6 VAL CB C -0.234 0.378 1.329 1.00 . A A . 6 VAL CB 1 1 8 1128 1 1 6 VAL CG1 C 0.589 1.630 1.068 1.00 . A A . 6 VAL CG1 1 1 8 1129 1 1 6 VAL CG2 C -1.680 0.735 1.641 1.00 . A A . 6 VAL CG2 1 1 8 1130 1 1 6 VAL H H -1.397 0.721 -1.047 1.00 . A A . 6 VAL H 1 1 8 1131 1 1 6 VAL HA H 0.876 -0.876 -0.015 1.00 . A A . 6 VAL HA 1 1 8 1132 1 1 6 VAL HB H 0.186 -0.132 2.196 1.00 . A A . 6 VAL HB 1 1 8 1133 1 1 6 VAL HG11 H 1.619 1.349 0.847 1.00 . A A . 6 VAL HG11 1 1 8 1134 1 1 6 VAL HG12 H 0.170 2.169 0.219 1.00 . A A . 6 VAL HG12 1 1 8 1135 1 1 6 VAL HG13 H 0.568 2.269 1.951 1.00 . A A . 6 VAL HG13 1 1 8 1136 1 1 6 VAL HG21 H -1.712 1.412 2.495 1.00 . A A . 6 VAL HG21 1 1 8 1137 1 1 6 VAL HG22 H -2.129 1.222 0.775 1.00 . A A . 6 VAL HG22 1 1 8 1138 1 1 6 VAL HG23 H -2.236 -0.173 1.876 1.00 . A A . 6 VAL HG23 1 1 8 1139 1 1 6 VAL N N -0.626 0.071 -1.096 1.00 . A A . 6 VAL N 1 1 8 1140 1 1 6 VAL O O -1.063 -2.264 1.578 1.00 . A A . 6 VAL O 1 1 8 1141 1 1 7 GLY C C -2.087 -4.658 -1.453 1.00 . A A . 7 GLY C 1 1 8 1142 1 1 7 GLY CA C -2.401 -3.587 -0.427 1.00 . A A . 7 GLY CA 1 1 8 1143 1 1 7 GLY H H -1.493 -1.991 -1.525 1.00 . A A . 7 GLY H 1 1 8 1144 1 1 7 GLY HA2 H -2.224 -3.990 0.570 1.00 . A A . 7 GLY HA2 1 1 8 1145 1 1 7 GLY HA3 H -3.452 -3.314 -0.518 1.00 . A A . 7 GLY HA3 1 1 8 1146 1 1 7 GLY N N -1.593 -2.394 -0.604 1.00 . A A . 7 GLY N 1 1 8 1147 1 1 7 GLY O O -2.986 -5.353 -1.930 1.00 . A A . 7 GLY O 1 1 8 1148 1 1 8 HIS C C 0.900 -6.477 -2.318 1.00 . A A . 8 HIS C 1 1 8 1149 1 1 8 HIS CA C -0.381 -5.785 -2.774 1.00 . A A . 8 HIS CA 1 1 8 1150 1 1 8 HIS CB C -0.160 -5.126 -4.137 1.00 . A A . 8 HIS CB 1 1 8 1151 1 1 8 HIS CD2 C -1.197 -2.859 -4.864 1.00 . A A . 8 HIS CD2 1 1 8 1152 1 1 8 HIS CE1 C -3.287 -3.500 -4.960 1.00 . A A . 8 HIS CE1 1 1 8 1153 1 1 8 HIS CG C -1.260 -4.177 -4.526 1.00 . A A . 8 HIS CG 1 1 8 1154 1 1 8 HIS H H -0.120 -4.191 -1.369 1.00 . A A . 8 HIS H 1 1 8 1155 1 1 8 HIS HA H -1.165 -6.536 -2.874 1.00 . A A . 8 HIS HA 1 1 8 1156 1 1 8 HIS HB2 H 0.783 -4.580 -4.115 1.00 . A A . 8 HIS HB2 1 1 8 1157 1 1 8 HIS HB3 H -0.095 -5.909 -4.893 1.00 . A A . 8 HIS HB3 1 1 8 1158 1 1 8 HIS HD2 H -0.306 -2.251 -4.911 1.00 . A A . 8 HIS HD2 1 1 8 1159 1 1 8 HIS HE1 H -4.358 -3.488 -5.099 1.00 . A A . 8 HIS HE1 1 1 8 1160 1 1 8 HIS HE2 H -2.775 -1.518 -5.414 1.00 . A A . 8 HIS HE2 1 1 8 1161 1 1 8 HIS N N -0.810 -4.792 -1.796 1.00 . A A . 8 HIS N 1 1 8 1162 1 1 8 HIS ND1 N -2.588 -4.565 -4.592 1.00 . A A . 8 HIS ND1 1 1 8 1163 1 1 8 HIS NE2 N -2.489 -2.446 -5.135 1.00 . A A . 8 HIS NE2 1 1 8 1164 1 1 8 HIS O O 0.952 -7.703 -2.214 1.00 . A A . 8 HIS O 1 1 8 1165 1 1 9 LEU C C 3.075 -6.911 -0.250 1.00 . A A . 9 LEU C 1 1 8 1166 1 1 9 LEU CA C 3.213 -6.222 -1.603 1.00 . A A . 9 LEU CA 1 1 8 1167 1 1 9 LEU CB C 4.253 -5.105 -1.516 1.00 . A A . 9 LEU CB 1 1 8 1168 1 1 9 LEU CD1 C 5.649 -4.910 -3.588 1.00 . A A . 9 LEU CD1 1 1 8 1169 1 1 9 LEU CD2 C 6.731 -4.765 -1.338 1.00 . A A . 9 LEU CD2 1 1 8 1170 1 1 9 LEU CG C 5.613 -5.402 -2.150 1.00 . A A . 9 LEU CG 1 1 8 1171 1 1 9 LEU H H 1.825 -4.686 -2.151 1.00 . A A . 9 LEU H 1 1 8 1172 1 1 9 LEU HA H 3.553 -6.956 -2.333 1.00 . A A . 9 LEU HA 1 1 8 1173 1 1 9 LEU HB2 H 3.840 -4.226 -2.011 1.00 . A A . 9 LEU HB2 1 1 8 1174 1 1 9 LEU HB3 H 4.410 -4.864 -0.465 1.00 . A A . 9 LEU HB3 1 1 8 1175 1 1 9 LEU HD11 H 4.842 -5.377 -4.153 1.00 . A A . 9 LEU HD11 1 1 8 1176 1 1 9 LEU HD12 H 6.606 -5.173 -4.038 1.00 . A A . 9 LEU HD12 1 1 8 1177 1 1 9 LEU HD13 H 5.525 -3.827 -3.605 1.00 . A A . 9 LEU HD13 1 1 8 1178 1 1 9 LEU HD21 H 6.689 -5.130 -0.312 1.00 . A A . 9 LEU HD21 1 1 8 1179 1 1 9 LEU HD22 H 7.694 -5.027 -1.777 1.00 . A A . 9 LEU HD22 1 1 8 1180 1 1 9 LEU HD23 H 6.612 -3.681 -1.344 1.00 . A A . 9 LEU HD23 1 1 8 1181 1 1 9 LEU HG H 5.762 -6.482 -2.152 1.00 . A A . 9 LEU HG 1 1 8 1182 1 1 9 LEU N N 1.931 -5.685 -2.047 1.00 . A A . 9 LEU N 1 1 8 1183 1 1 9 LEU O O 3.561 -8.025 -0.057 1.00 . A A . 9 LEU O 1 1 8 1184 1 1 10 MET C C 0.720 -6.791 2.385 1.00 . A A . 10 MET C 1 1 8 1185 1 1 10 MET CA C 2.201 -6.792 2.019 1.00 . A A . 10 MET CA 1 1 8 1186 1 1 10 MET CB C 2.993 -5.990 3.051 1.00 . A A . 10 MET CB 1 1 8 1187 1 1 10 MET CE C 2.362 -2.727 1.033 1.00 . A A . 10 MET CE 1 1 8 1188 1 1 10 MET CG C 2.587 -4.527 3.127 1.00 . A A . 10 MET CG 1 1 8 1189 1 1 10 MET H H 2.030 -5.331 0.462 1.00 . A A . 10 MET H 1 1 8 1190 1 1 10 MET HA H 2.560 -7.821 2.029 1.00 . A A . 10 MET HA 1 1 8 1191 1 1 10 MET HB2 H 2.838 -6.442 4.031 1.00 . A A . 10 MET HB2 1 1 8 1192 1 1 10 MET HB3 H 4.053 -6.047 2.802 1.00 . A A . 10 MET HB3 1 1 8 1193 1 1 10 MET HE1 H 2.839 -2.044 0.330 1.00 . A A . 10 MET HE1 1 1 8 1194 1 1 10 MET HE2 H 1.649 -2.177 1.647 1.00 . A A . 10 MET HE2 1 1 8 1195 1 1 10 MET HE3 H 1.840 -3.509 0.482 1.00 . A A . 10 MET HE3 1 1 8 1196 1 1 10 MET HG2 H 1.549 -4.436 2.807 1.00 . A A . 10 MET HG2 1 1 8 1197 1 1 10 MET HG3 H 2.669 -4.190 4.160 1.00 . A A . 10 MET HG3 1 1 8 1198 1 1 10 MET N N 2.406 -6.242 0.683 1.00 . A A . 10 MET N 1 1 8 1199 1 1 10 MET O O -0.029 -5.898 1.987 1.00 . A A . 10 MET O 1 1 8 1200 1 1 10 MET SD S 3.607 -3.468 2.084 1.00 . A A . 10 MET SD 1 1 9 1201 1 1 1 GLY C C 6.071 4.054 -3.201 1.00 . A A . 1 GLY C 1 1 9 1202 1 1 1 GLY CA C 6.757 2.751 -3.558 1.00 . A A . 1 GLY CA 1 1 9 1203 1 1 1 GLY H1 H 6.240 0.837 -3.973 1.00 . A A . 1 GLY H1 1 1 9 1204 1 1 1 GLY H2 H 5.628 1.944 -5.032 1.00 . A A . 1 GLY H2 1 1 9 1205 1 1 1 GLY H3 H 4.973 1.794 -3.525 1.00 . A A . 1 GLY H3 1 1 9 1206 1 1 1 GLY HA2 H 7.253 2.357 -2.671 1.00 . A A . 1 GLY HA2 1 1 9 1207 1 1 1 GLY HA3 H 7.506 2.949 -4.325 1.00 . A A . 1 GLY HA3 1 1 9 1208 1 1 1 GLY N N 5.829 1.756 -4.060 1.00 . A A . 1 GLY N 1 1 9 1209 1 1 1 GLY O O 6.587 4.837 -2.404 1.00 . A A . 1 GLY O 1 1 9 1210 1 1 2 ASN C C 3.268 5.351 -2.297 1.00 . A A . 2 ASN C 1 1 9 1211 1 1 2 ASN CA C 4.148 5.509 -3.534 1.00 . A A . 2 ASN CA 1 1 9 1212 1 1 2 ASN CB C 3.285 5.865 -4.745 1.00 . A A . 2 ASN CB 1 1 9 1213 1 1 2 ASN CG C 4.115 6.241 -5.957 1.00 . A A . 2 ASN CG 1 1 9 1214 1 1 2 ASN H H 4.534 3.608 -4.439 1.00 . A A . 2 ASN H 1 1 9 1215 1 1 2 ASN HA H 4.851 6.323 -3.358 1.00 . A A . 2 ASN HA 1 1 9 1216 1 1 2 ASN HB2 H 2.666 5.004 -4.998 1.00 . A A . 2 ASN HB2 1 1 9 1217 1 1 2 ASN HB3 H 2.638 6.703 -4.485 1.00 . A A . 2 ASN HB3 1 1 9 1218 1 1 2 ASN HD21 H 3.903 4.372 -6.725 1.00 . A A . 2 ASN HD21 1 1 9 1219 1 1 2 ASN HD22 H 4.849 5.482 -7.692 1.00 . A A . 2 ASN HD22 1 1 9 1220 1 1 2 ASN N N 4.905 4.290 -3.793 1.00 . A A . 2 ASN N 1 1 9 1221 1 1 2 ASN ND2 N 4.304 5.289 -6.864 1.00 . A A . 2 ASN ND2 1 1 9 1222 1 1 2 ASN O O 3.202 4.275 -1.702 1.00 . A A . 2 ASN O 1 1 9 1223 1 1 2 ASN OD1 O 4.581 7.375 -6.077 1.00 . A A . 2 ASN OD1 1 1 9 1224 1 1 3 HIS C C 0.695 5.284 -0.857 1.00 . A A . 3 HIS C 1 1 9 1225 1 1 3 HIS CA C 1.716 6.412 -0.751 1.00 . A A . 3 HIS CA 1 1 9 1226 1 1 3 HIS CB C 0.999 7.753 -0.605 1.00 . A A . 3 HIS CB 1 1 9 1227 1 1 3 HIS CD2 C 1.193 7.706 1.985 1.00 . A A . 3 HIS CD2 1 1 9 1228 1 1 3 HIS CE1 C -0.520 8.993 2.437 1.00 . A A . 3 HIS CE1 1 1 9 1229 1 1 3 HIS CG C 0.616 8.090 0.811 1.00 . A A . 3 HIS CG 1 1 9 1230 1 1 3 HIS H H 2.689 7.285 -2.448 1.00 . A A . 3 HIS H 1 1 9 1231 1 1 3 HIS HA H 2.325 6.246 0.138 1.00 . A A . 3 HIS HA 1 1 9 1232 1 1 3 HIS HB2 H 1.659 8.537 -0.978 1.00 . A A . 3 HIS HB2 1 1 9 1233 1 1 3 HIS HB3 H 0.097 7.735 -1.216 1.00 . A A . 3 HIS HB3 1 1 9 1234 1 1 3 HIS HD2 H 2.058 7.069 2.097 1.00 . A A . 3 HIS HD2 1 1 9 1235 1 1 3 HIS HE1 H -1.260 9.562 2.981 1.00 . A A . 3 HIS HE1 1 1 9 1236 1 1 3 HIS HE2 H 0.636 8.194 3.995 1.00 . A A . 3 HIS HE2 1 1 9 1237 1 1 3 HIS N N 2.593 6.431 -1.917 1.00 . A A . 3 HIS N 1 1 9 1238 1 1 3 HIS ND1 N -0.463 8.901 1.116 1.00 . A A . 3 HIS ND1 1 1 9 1239 1 1 3 HIS NE2 N 0.461 8.287 3.005 1.00 . A A . 3 HIS NE2 1 1 9 1240 1 1 3 HIS O O 0.503 4.516 0.085 1.00 . A A . 3 HIS O 1 1 9 1241 1 1 4 TRP C C -0.302 2.831 -2.603 1.00 . A A . 4 TRP C 1 1 9 1242 1 1 4 TRP CA C -0.961 4.158 -2.240 1.00 . A A . 4 TRP CA 1 1 9 1243 1 1 4 TRP CB C -1.921 4.586 -3.351 1.00 . A A . 4 TRP CB 1 1 9 1244 1 1 4 TRP CD1 C -0.096 4.682 -5.147 1.00 . A A . 4 TRP CD1 1 1 9 1245 1 1 4 TRP CD2 C -2.050 3.857 -5.864 1.00 . A A . 4 TRP CD2 1 1 9 1246 1 1 4 TRP CE2 C -1.140 3.855 -6.939 1.00 . A A . 4 TRP CE2 1 1 9 1247 1 1 4 TRP CE3 C -3.346 3.381 -6.078 1.00 . A A . 4 TRP CE3 1 1 9 1248 1 1 4 TRP CG C -1.361 4.389 -4.728 1.00 . A A . 4 TRP CG 1 1 9 1249 1 1 4 TRP CH2 C -2.763 2.936 -8.388 1.00 . A A . 4 TRP CH2 1 1 9 1250 1 1 4 TRP CZ2 C -1.488 3.397 -8.207 1.00 . A A . 4 TRP CZ2 1 1 9 1251 1 1 4 TRP CZ3 C -3.690 2.926 -7.337 1.00 . A A . 4 TRP CZ3 1 1 9 1252 1 1 4 TRP H H 0.243 5.855 -2.745 1.00 . A A . 4 TRP H 1 1 9 1253 1 1 4 TRP HA H -1.533 4.021 -1.322 1.00 . A A . 4 TRP HA 1 1 9 1254 1 1 4 TRP HB2 H -2.836 4.000 -3.263 1.00 . A A . 4 TRP HB2 1 1 9 1255 1 1 4 TRP HB3 H -2.165 5.640 -3.218 1.00 . A A . 4 TRP HB3 1 1 9 1256 1 1 4 TRP HD1 H 0.681 5.102 -4.525 1.00 . A A . 4 TRP HD1 1 1 9 1257 1 1 4 TRP HE1 H 0.885 4.486 -7.023 1.00 . A A . 4 TRP HE1 1 1 9 1258 1 1 4 TRP HE3 H -4.067 3.369 -5.274 1.00 . A A . 4 TRP HE3 1 1 9 1259 1 1 4 TRP HH2 H -3.061 2.572 -9.360 1.00 . A A . 4 TRP HH2 1 1 9 1260 1 1 4 TRP HZ2 H -0.776 3.405 -9.019 1.00 . A A . 4 TRP HZ2 1 1 9 1261 1 1 4 TRP HZ3 H -4.689 2.557 -7.514 1.00 . A A . 4 TRP HZ3 1 1 9 1262 1 1 4 TRP N N 0.041 5.192 -2.010 1.00 . A A . 4 TRP N 1 1 9 1263 1 1 4 TRP NE1 N 0.045 4.364 -6.476 1.00 . A A . 4 TRP NE1 1 1 9 1264 1 1 4 TRP O O 0.911 2.673 -2.469 1.00 . A A . 4 TRP O 1 1 9 1265 1 1 5 ALA C C -0.047 -0.180 -2.243 1.00 . A A . 5 ALA C 1 1 9 1266 1 1 5 ALA CA C -0.604 0.570 -3.448 1.00 . A A . 5 ALA CA 1 1 9 1267 1 1 5 ALA CB C 0.464 0.711 -4.524 1.00 . A A . 5 ALA CB 1 1 9 1268 1 1 5 ALA H H -2.098 2.074 -3.150 1.00 . A A . 5 ALA H 1 1 9 1269 1 1 5 ALA HA H -1.431 -0.009 -3.860 1.00 . A A . 5 ALA HA 1 1 9 1270 1 1 5 ALA HB1 H 0.296 -0.032 -5.303 1.00 . A A . 5 ALA HB1 1 1 9 1271 1 1 5 ALA HB2 H 0.413 1.710 -4.958 1.00 . A A . 5 ALA HB2 1 1 9 1272 1 1 5 ALA HB3 H 1.448 0.557 -4.082 1.00 . A A . 5 ALA HB3 1 1 9 1273 1 1 5 ALA N N -1.110 1.882 -3.064 1.00 . A A . 5 ALA N 1 1 9 1274 1 1 5 ALA O O 0.898 -0.959 -2.365 1.00 . A A . 5 ALA O 1 1 9 1275 1 1 6 VAL C C -1.034 -1.836 0.437 1.00 . A A . 6 VAL C 1 1 9 1276 1 1 6 VAL CA C -0.203 -0.591 0.153 1.00 . A A . 6 VAL CA 1 1 9 1277 1 1 6 VAL CB C -0.296 0.364 1.357 1.00 . A A . 6 VAL CB 1 1 9 1278 1 1 6 VAL CG1 C 0.575 1.591 1.136 1.00 . A A . 6 VAL CG1 1 1 9 1279 1 1 6 VAL CG2 C -1.741 0.764 1.608 1.00 . A A . 6 VAL CG2 1 1 9 1280 1 1 6 VAL H H -1.410 0.714 -1.042 1.00 . A A . 6 VAL H 1 1 9 1281 1 1 6 VAL HA H 0.838 -0.892 0.032 1.00 . A A . 6 VAL HA 1 1 9 1282 1 1 6 VAL HB H 0.071 -0.161 2.239 1.00 . A A . 6 VAL HB 1 1 9 1283 1 1 6 VAL HG11 H 1.604 1.279 0.958 1.00 . A A . 6 VAL HG11 1 1 9 1284 1 1 6 VAL HG12 H 0.536 2.228 2.020 1.00 . A A . 6 VAL HG12 1 1 9 1285 1 1 6 VAL HG13 H 0.209 2.145 0.272 1.00 . A A . 6 VAL HG13 1 1 9 1286 1 1 6 VAL HG21 H -2.344 -0.130 1.763 1.00 . A A . 6 VAL HG21 1 1 9 1287 1 1 6 VAL HG22 H -2.121 1.313 0.746 1.00 . A A . 6 VAL HG22 1 1 9 1288 1 1 6 VAL HG23 H -1.794 1.396 2.494 1.00 . A A . 6 VAL HG23 1 1 9 1289 1 1 6 VAL N N -0.639 0.062 -1.077 1.00 . A A . 6 VAL N 1 1 9 1290 1 1 6 VAL O O -1.149 -2.269 1.584 1.00 . A A . 6 VAL O 1 1 9 1291 1 1 7 GLY C C -2.099 -4.667 -1.481 1.00 . A A . 7 GLY C 1 1 9 1292 1 1 7 GLY CA C -2.425 -3.601 -0.455 1.00 . A A . 7 GLY CA 1 1 9 1293 1 1 7 GLY H H -1.484 -2.012 -1.532 1.00 . A A . 7 GLY H 1 1 9 1294 1 1 7 GLY HA2 H -2.255 -4.011 0.541 1.00 . A A . 7 GLY HA2 1 1 9 1295 1 1 7 GLY HA3 H -3.476 -3.328 -0.550 1.00 . A A . 7 GLY HA3 1 1 9 1296 1 1 7 GLY N N -1.612 -2.410 -0.613 1.00 . A A . 7 GLY N 1 1 9 1297 1 1 7 GLY O O -2.990 -5.358 -1.974 1.00 . A A . 7 GLY O 1 1 9 1298 1 1 8 HIS C C 0.899 -6.487 -2.310 1.00 . A A . 8 HIS C 1 1 9 1299 1 1 8 HIS CA C -0.374 -5.791 -2.781 1.00 . A A . 8 HIS CA 1 1 9 1300 1 1 8 HIS CB C -0.133 -5.126 -4.138 1.00 . A A . 8 HIS CB 1 1 9 1301 1 1 8 HIS CD2 C -1.152 -2.851 -4.867 1.00 . A A . 8 HIS CD2 1 1 9 1302 1 1 8 HIS CE1 C -3.243 -3.486 -4.996 1.00 . A A . 8 HIS CE1 1 1 9 1303 1 1 8 HIS CG C -1.225 -4.171 -4.537 1.00 . A A . 8 HIS CG 1 1 9 1304 1 1 8 HIS H H -0.133 -4.201 -1.365 1.00 . A A . 8 HIS H 1 1 9 1305 1 1 8 HIS HA H -1.157 -6.540 -2.896 1.00 . A A . 8 HIS HA 1 1 9 1306 1 1 8 HIS HB2 H 0.807 -4.576 -4.091 1.00 . A A . 8 HIS HB2 1 1 9 1307 1 1 8 HIS HB3 H -0.049 -5.901 -4.899 1.00 . A A . 8 HIS HB3 1 1 9 1308 1 1 8 HIS HD2 H -0.259 -2.245 -4.898 1.00 . A A . 8 HIS HD2 1 1 9 1309 1 1 8 HIS HE1 H -4.312 -3.470 -5.150 1.00 . A A . 8 HIS HE1 1 1 9 1310 1 1 8 HIS HE2 H -2.720 -1.504 -5.434 1.00 . A A . 8 HIS HE2 1 1 9 1311 1 1 8 HIS N N -0.817 -4.800 -1.805 1.00 . A A . 8 HIS N 1 1 9 1312 1 1 8 HIS ND1 N -2.553 -4.555 -4.624 1.00 . A A . 8 HIS ND1 1 1 9 1313 1 1 8 HIS NE2 N -2.440 -2.434 -5.155 1.00 . A A . 8 HIS NE2 1 1 9 1314 1 1 8 HIS O O 0.958 -7.716 -2.242 1.00 . A A . 8 HIS O 1 1 9 1315 1 1 9 LEU C C 3.030 -6.911 -0.162 1.00 . A A . 9 LEU C 1 1 9 1316 1 1 9 LEU CA C 3.188 -6.236 -1.521 1.00 . A A . 9 LEU CA 1 1 9 1317 1 1 9 LEU CB C 4.234 -5.124 -1.432 1.00 . A A . 9 LEU CB 1 1 9 1318 1 1 9 LEU CD1 C 5.639 -4.994 -3.505 1.00 . A A . 9 LEU CD1 1 1 9 1319 1 1 9 LEU CD2 C 6.710 -4.763 -1.256 1.00 . A A . 9 LEU CD2 1 1 9 1320 1 1 9 LEU CG C 5.598 -5.436 -2.050 1.00 . A A . 9 LEU CG 1 1 9 1321 1 1 9 LEU H H 1.804 -4.695 -2.063 1.00 . A A . 9 LEU H 1 1 9 1322 1 1 9 LEU HA H 3.533 -6.980 -2.240 1.00 . A A . 9 LEU HA 1 1 9 1323 1 1 9 LEU HB2 H 3.832 -4.246 -1.938 1.00 . A A . 9 LEU HB2 1 1 9 1324 1 1 9 LEU HB3 H 4.382 -4.876 -0.381 1.00 . A A . 9 LEU HB3 1 1 9 1325 1 1 9 LEU HD11 H 4.837 -5.485 -4.057 1.00 . A A . 9 LEU HD11 1 1 9 1326 1 1 9 LEU HD12 H 5.509 -3.913 -3.560 1.00 . A A . 9 LEU HD12 1 1 9 1327 1 1 9 LEU HD13 H 6.600 -5.267 -3.941 1.00 . A A . 9 LEU HD13 1 1 9 1328 1 1 9 LEU HD21 H 6.665 -5.091 -0.217 1.00 . A A . 9 LEU HD21 1 1 9 1329 1 1 9 LEU HD22 H 6.585 -3.681 -1.301 1.00 . A A . 9 LEU HD22 1 1 9 1330 1 1 9 LEU HD23 H 7.676 -5.035 -1.682 1.00 . A A . 9 LEU HD23 1 1 9 1331 1 1 9 LEU HG H 5.754 -6.514 -2.014 1.00 . A A . 9 LEU HG 1 1 9 1332 1 1 9 LEU N N 1.915 -5.696 -1.986 1.00 . A A . 9 LEU N 1 1 9 1333 1 1 9 LEU O O 3.761 -7.843 0.168 1.00 . A A . 9 LEU O 1 1 9 1334 1 1 10 MET C C 0.651 -7.982 1.899 1.00 . A A . 10 MET C 1 1 9 1335 1 1 10 MET CA C 1.811 -6.992 1.944 1.00 . A A . 10 MET CA 1 1 9 1336 1 1 10 MET CB C 1.507 -5.875 2.943 1.00 . A A . 10 MET CB 1 1 9 1337 1 1 10 MET CE C 2.708 -2.741 0.949 1.00 . A A . 10 MET CE 1 1 9 1338 1 1 10 MET CG C 2.488 -4.717 2.878 1.00 . A A . 10 MET CG 1 1 9 1339 1 1 10 MET H H 1.501 -5.664 0.292 1.00 . A A . 10 MET H 1 1 9 1340 1 1 10 MET HA H 2.705 -7.520 2.276 1.00 . A A . 10 MET HA 1 1 9 1341 1 1 10 MET HB2 H 0.503 -5.496 2.750 1.00 . A A . 10 MET HB2 1 1 9 1342 1 1 10 MET HB3 H 1.536 -6.295 3.948 1.00 . A A . 10 MET HB3 1 1 9 1343 1 1 10 MET HE1 H 2.349 -1.804 0.523 1.00 . A A . 10 MET HE1 1 1 9 1344 1 1 10 MET HE2 H 2.636 -3.531 0.202 1.00 . A A . 10 MET HE2 1 1 9 1345 1 1 10 MET HE3 H 3.747 -2.626 1.256 1.00 . A A . 10 MET HE3 1 1 9 1346 1 1 10 MET HG2 H 2.939 -4.580 3.861 1.00 . A A . 10 MET HG2 1 1 9 1347 1 1 10 MET HG3 H 3.271 -4.964 2.161 1.00 . A A . 10 MET HG3 1 1 9 1348 1 1 10 MET N N 2.068 -6.433 0.621 1.00 . A A . 10 MET N 1 1 9 1349 1 1 10 MET O O -0.418 -7.678 1.369 1.00 . A A . 10 MET O 1 1 9 1350 1 1 10 MET SD S 1.709 -3.172 2.372 1.00 . A A . 10 MET SD 1 1 10 1351 1 1 1 GLY C C 6.918 3.976 -1.899 1.00 . A A . 1 GLY C 1 1 10 1352 1 1 1 GLY CA C 7.678 2.732 -1.483 1.00 . A A . 1 GLY CA 1 1 10 1353 1 1 1 GLY H1 H 7.552 0.724 -1.714 1.00 . A A . 1 GLY H1 1 1 10 1354 1 1 1 GLY H2 H 6.228 1.403 -1.002 1.00 . A A . 1 GLY H2 1 1 10 1355 1 1 1 GLY H3 H 6.470 1.574 -2.624 1.00 . A A . 1 GLY H3 1 1 10 1356 1 1 1 GLY HA2 H 7.903 2.799 -0.418 1.00 . A A . 1 GLY HA2 1 1 10 1357 1 1 1 GLY HA3 H 8.614 2.686 -2.040 1.00 . A A . 1 GLY HA3 1 1 10 1358 1 1 1 GLY N N 6.925 1.516 -1.724 1.00 . A A . 1 GLY N 1 1 10 1359 1 1 1 GLY O O 7.512 5.034 -2.106 1.00 . A A . 1 GLY O 1 1 10 1360 1 1 2 ASN C C 3.592 5.147 -1.450 1.00 . A A . 2 ASN C 1 1 10 1361 1 1 2 ASN CA C 4.759 4.973 -2.418 1.00 . A A . 2 ASN CA 1 1 10 1362 1 1 2 ASN CB C 4.232 4.765 -3.839 1.00 . A A . 2 ASN CB 1 1 10 1363 1 1 2 ASN CG C 4.118 6.067 -4.609 1.00 . A A . 2 ASN CG 1 1 10 1364 1 1 2 ASN H H 5.172 2.955 -1.834 1.00 . A A . 2 ASN H 1 1 10 1365 1 1 2 ASN HA H 5.362 5.881 -2.401 1.00 . A A . 2 ASN HA 1 1 10 1366 1 1 2 ASN HB2 H 4.906 4.095 -4.373 1.00 . A A . 2 ASN HB2 1 1 10 1367 1 1 2 ASN HB3 H 3.246 4.304 -3.783 1.00 . A A . 2 ASN HB3 1 1 10 1368 1 1 2 ASN HD21 H 2.130 6.171 -4.205 1.00 . A A . 2 ASN HD21 1 1 10 1369 1 1 2 ASN HD22 H 2.774 7.486 -5.162 1.00 . A A . 2 ASN HD22 1 1 10 1370 1 1 2 ASN N N 5.601 3.850 -2.021 1.00 . A A . 2 ASN N 1 1 10 1371 1 1 2 ASN ND2 N 2.911 6.619 -4.663 1.00 . A A . 2 ASN ND2 1 1 10 1372 1 1 2 ASN O O 3.415 4.353 -0.526 1.00 . A A . 2 ASN O 1 1 10 1373 1 1 2 ASN OD1 O 5.104 6.570 -5.149 1.00 . A A . 2 ASN OD1 1 1 10 1374 1 1 3 HIS C C 0.628 5.336 -0.898 1.00 . A A . 3 HIS C 1 1 10 1375 1 1 3 HIS CA C 1.648 6.467 -0.818 1.00 . A A . 3 HIS CA 1 1 10 1376 1 1 3 HIS CB C 0.993 7.788 -1.221 1.00 . A A . 3 HIS CB 1 1 10 1377 1 1 3 HIS CD2 C -0.349 7.816 1.001 1.00 . A A . 3 HIS CD2 1 1 10 1378 1 1 3 HIS CE1 C -1.311 9.767 0.745 1.00 . A A . 3 HIS CE1 1 1 10 1379 1 1 3 HIS CG C 0.056 8.347 -0.186 1.00 . A A . 3 HIS CG 1 1 10 1380 1 1 3 HIS H H 2.998 6.806 -2.446 1.00 . A A . 3 HIS H 1 1 10 1381 1 1 3 HIS HA H 1.992 6.551 0.213 1.00 . A A . 3 HIS HA 1 1 10 1382 1 1 3 HIS HB2 H 1.780 8.520 -1.401 1.00 . A A . 3 HIS HB2 1 1 10 1383 1 1 3 HIS HB3 H 0.439 7.635 -2.147 1.00 . A A . 3 HIS HB3 1 1 10 1384 1 1 3 HIS HD2 H -0.051 6.863 1.413 1.00 . A A . 3 HIS HD2 1 1 10 1385 1 1 3 HIS HE1 H -1.918 10.643 0.924 1.00 . A A . 3 HIS HE1 1 1 10 1386 1 1 3 HIS HE2 H -1.687 8.627 2.466 1.00 . A A . 3 HIS HE2 1 1 10 1387 1 1 3 HIS N N 2.799 6.190 -1.670 1.00 . A A . 3 HIS N 1 1 10 1388 1 1 3 HIS ND1 N -0.562 9.578 -0.330 1.00 . A A . 3 HIS ND1 1 1 10 1389 1 1 3 HIS NE2 N -1.215 8.728 1.579 1.00 . A A . 3 HIS NE2 1 1 10 1390 1 1 3 HIS O O 0.424 4.602 0.069 1.00 . A A . 3 HIS O 1 1 10 1391 1 1 4 TRP C C -0.350 2.838 -2.636 1.00 . A A . 4 TRP C 1 1 10 1392 1 1 4 TRP CA C -1.010 4.160 -2.261 1.00 . A A . 4 TRP CA 1 1 10 1393 1 1 4 TRP CB C -1.997 4.579 -3.350 1.00 . A A . 4 TRP CB 1 1 10 1394 1 1 4 TRP CD1 C -0.213 4.686 -5.187 1.00 . A A . 4 TRP CD1 1 1 10 1395 1 1 4 TRP CD2 C -2.178 3.844 -5.859 1.00 . A A . 4 TRP CD2 1 1 10 1396 1 1 4 TRP CE2 C -1.291 3.848 -6.954 1.00 . A A . 4 TRP CE2 1 1 10 1397 1 1 4 TRP CE3 C -3.473 3.358 -6.043 1.00 . A A . 4 TRP CE3 1 1 10 1398 1 1 4 TRP CG C -1.467 4.384 -4.739 1.00 . A A . 4 TRP CG 1 1 10 1399 1 1 4 TRP CH2 C -2.939 2.914 -8.366 1.00 . A A . 4 TRP CH2 1 1 10 1400 1 1 4 TRP CZ2 C -1.663 3.385 -8.214 1.00 . A A . 4 TRP CZ2 1 1 10 1401 1 1 4 TRP CZ3 C -3.841 2.899 -7.294 1.00 . A A . 4 TRP CZ3 1 1 10 1402 1 1 4 TRP H H 0.202 5.837 -2.811 1.00 . A A . 4 TRP H 1 1 10 1403 1 1 4 TRP HA H -1.560 4.020 -1.331 1.00 . A A . 4 TRP HA 1 1 10 1404 1 1 4 TRP HB2 H -2.905 3.986 -3.240 1.00 . A A . 4 TRP HB2 1 1 10 1405 1 1 4 TRP HB3 H -2.246 5.631 -3.213 1.00 . A A . 4 TRP HB3 1 1 10 1406 1 1 4 TRP HD1 H 0.574 5.114 -4.584 1.00 . A A . 4 TRP HD1 1 1 10 1407 1 1 4 TRP HE1 H 0.726 4.491 -7.086 1.00 . A A . 4 TRP HE1 1 1 10 1408 1 1 4 TRP HE3 H -4.175 3.341 -5.223 1.00 . A A . 4 TRP HE3 1 1 10 1409 1 1 4 TRP HH2 H -3.257 2.547 -9.331 1.00 . A A . 4 TRP HH2 1 1 10 1410 1 1 4 TRP HZ2 H -0.969 3.397 -9.042 1.00 . A A . 4 TRP HZ2 1 1 10 1411 1 1 4 TRP HZ3 H -4.841 2.522 -7.448 1.00 . A A . 4 TRP HZ3 1 1 10 1412 1 1 4 TRP N N -0.010 5.202 -2.055 1.00 . A A . 4 TRP N 1 1 10 1413 1 1 4 TRP NE1 N -0.101 4.365 -6.520 1.00 . A A . 4 TRP NE1 1 1 10 1414 1 1 4 TRP O O 0.868 2.689 -2.528 1.00 . A A . 4 TRP O 1 1 10 1415 1 1 5 ALA C C -0.063 -0.170 -2.277 1.00 . A A . 5 ALA C 1 1 10 1416 1 1 5 ALA CA C -0.652 0.573 -3.472 1.00 . A A . 5 ALA CA 1 1 10 1417 1 1 5 ALA CB C 0.390 0.720 -4.570 1.00 . A A . 5 ALA CB 1 1 10 1418 1 1 5 ALA H H -2.150 2.066 -3.143 1.00 . A A . 5 ALA H 1 1 10 1419 1 1 5 ALA HA H -1.483 -0.013 -3.864 1.00 . A A . 5 ALA HA 1 1 10 1420 1 1 5 ALA HB1 H 0.210 -0.026 -5.345 1.00 . A A . 5 ALA HB1 1 1 10 1421 1 1 5 ALA HB2 H 0.322 1.718 -5.004 1.00 . A A . 5 ALA HB2 1 1 10 1422 1 1 5 ALA HB3 H 1.385 0.574 -4.149 1.00 . A A . 5 ALA HB3 1 1 10 1423 1 1 5 ALA N N -1.159 1.882 -3.078 1.00 . A A . 5 ALA N 1 1 10 1424 1 1 5 ALA O O 0.882 -0.946 -2.420 1.00 . A A . 5 ALA O 1 1 10 1425 1 1 6 VAL C C -0.977 -1.821 0.431 1.00 . A A . 6 VAL C 1 1 10 1426 1 1 6 VAL CA C -0.158 -0.573 0.123 1.00 . A A . 6 VAL CA 1 1 10 1427 1 1 6 VAL CB C -0.225 0.385 1.324 1.00 . A A . 6 VAL CB 1 1 10 1428 1 1 6 VAL CG1 C 0.570 1.650 1.047 1.00 . A A . 6 VAL CG1 1 1 10 1429 1 1 6 VAL CG2 C -1.671 0.717 1.662 1.00 . A A . 6 VAL CG2 1 1 10 1430 1 1 6 VAL H H -1.399 0.723 -1.046 1.00 . A A . 6 VAL H 1 1 10 1431 1 1 6 VAL HA H 0.881 -0.870 -0.022 1.00 . A A . 6 VAL HA 1 1 10 1432 1 1 6 VAL HB H 0.220 -0.115 2.184 1.00 . A A . 6 VAL HB 1 1 10 1433 1 1 6 VAL HG11 H 1.600 1.387 0.808 1.00 . A A . 6 VAL HG11 1 1 10 1434 1 1 6 VAL HG12 H 0.126 2.181 0.205 1.00 . A A . 6 VAL HG12 1 1 10 1435 1 1 6 VAL HG13 H 0.554 2.290 1.929 1.00 . A A . 6 VAL HG13 1 1 10 1436 1 1 6 VAL HG21 H -2.220 -0.204 1.856 1.00 . A A . 6 VAL HG21 1 1 10 1437 1 1 6 VAL HG22 H -1.700 1.351 2.548 1.00 . A A . 6 VAL HG22 1 1 10 1438 1 1 6 VAL HG23 H -2.129 1.243 0.824 1.00 . A A . 6 VAL HG23 1 1 10 1439 1 1 6 VAL N N -0.627 0.074 -1.098 1.00 . A A . 6 VAL N 1 1 10 1440 1 1 6 VAL O O -1.056 -2.254 1.581 1.00 . A A . 6 VAL O 1 1 10 1441 1 1 7 GLY C C -2.083 -4.659 -1.445 1.00 . A A . 7 GLY C 1 1 10 1442 1 1 7 GLY CA C -2.391 -3.589 -0.417 1.00 . A A . 7 GLY CA 1 1 10 1443 1 1 7 GLY H H -1.488 -1.996 -1.523 1.00 . A A . 7 GLY H 1 1 10 1444 1 1 7 GLY HA2 H -2.197 -3.993 0.577 1.00 . A A . 7 GLY HA2 1 1 10 1445 1 1 7 GLY HA3 H -3.445 -3.320 -0.490 1.00 . A A . 7 GLY HA3 1 1 10 1446 1 1 7 GLY N N -1.586 -2.395 -0.600 1.00 . A A . 7 GLY N 1 1 10 1447 1 1 7 GLY O O -2.983 -5.356 -1.916 1.00 . A A . 7 GLY O 1 1 10 1448 1 1 8 HIS C C 0.901 -6.475 -2.327 1.00 . A A . 8 HIS C 1 1 10 1449 1 1 8 HIS CA C -0.383 -5.785 -2.775 1.00 . A A . 8 HIS CA 1 1 10 1450 1 1 8 HIS CB C -0.173 -5.127 -4.142 1.00 . A A . 8 HIS CB 1 1 10 1451 1 1 8 HIS CD2 C -1.216 -2.860 -4.861 1.00 . A A . 8 HIS CD2 1 1 10 1452 1 1 8 HIS CE1 C -3.307 -3.504 -4.942 1.00 . A A . 8 HIS CE1 1 1 10 1453 1 1 8 HIS CG C -1.277 -4.178 -4.522 1.00 . A A . 8 HIS CG 1 1 10 1454 1 1 8 HIS H H -0.116 -4.189 -1.372 1.00 . A A . 8 HIS H 1 1 10 1455 1 1 8 HIS HA H -1.166 -6.537 -2.869 1.00 . A A . 8 HIS HA 1 1 10 1456 1 1 8 HIS HB2 H 0.766 -4.574 -4.119 1.00 . A A . 8 HIS HB2 1 1 10 1457 1 1 8 HIS HB3 H -0.103 -5.907 -4.900 1.00 . A A . 8 HIS HB3 1 1 10 1458 1 1 8 HIS HD2 H -0.325 -2.252 -4.915 1.00 . A A . 8 HIS HD2 1 1 10 1459 1 1 8 HIS HE1 H -4.379 -3.493 -5.074 1.00 . A A . 8 HIS HE1 1 1 10 1460 1 1 8 HIS HE2 H -2.799 -1.521 -5.400 1.00 . A A . 8 HIS HE2 1 1 10 1461 1 1 8 HIS N N -0.808 -4.791 -1.795 1.00 . A A . 8 HIS N 1 1 10 1462 1 1 8 HIS ND1 N -2.604 -4.567 -4.579 1.00 . A A . 8 HIS ND1 1 1 10 1463 1 1 8 HIS NE2 N -2.510 -2.448 -5.123 1.00 . A A . 8 HIS NE2 1 1 10 1464 1 1 8 HIS O O 0.957 -7.701 -2.223 1.00 . A A . 8 HIS O 1 1 10 1465 1 1 9 LEU C C 3.089 -6.909 -0.275 1.00 . A A . 9 LEU C 1 1 10 1466 1 1 9 LEU CA C 3.218 -6.215 -1.627 1.00 . A A . 9 LEU CA 1 1 10 1467 1 1 9 LEU CB C 4.256 -5.095 -1.540 1.00 . A A . 9 LEU CB 1 1 10 1468 1 1 9 LEU CD1 C 5.643 -4.894 -3.619 1.00 . A A . 9 LEU CD1 1 1 10 1469 1 1 9 LEU CD2 C 6.733 -4.745 -1.372 1.00 . A A . 9 LEU CD2 1 1 10 1470 1 1 9 LEU CG C 5.614 -5.386 -2.180 1.00 . A A . 9 LEU CG 1 1 10 1471 1 1 9 LEU H H 1.825 -4.682 -2.167 1.00 . A A . 9 LEU H 1 1 10 1472 1 1 9 LEU HA H 3.557 -6.946 -2.361 1.00 . A A . 9 LEU HA 1 1 10 1473 1 1 9 LEU HB2 H 3.839 -4.215 -2.030 1.00 . A A . 9 LEU HB2 1 1 10 1474 1 1 9 LEU HB3 H 4.417 -4.858 -0.488 1.00 . A A . 9 LEU HB3 1 1 10 1475 1 1 9 LEU HD11 H 4.835 -5.364 -4.180 1.00 . A A . 9 LEU HD11 1 1 10 1476 1 1 9 LEU HD12 H 6.599 -5.154 -4.072 1.00 . A A . 9 LEU HD12 1 1 10 1477 1 1 9 LEU HD13 H 5.515 -3.812 -3.636 1.00 . A A . 9 LEU HD13 1 1 10 1478 1 1 9 LEU HD21 H 6.695 -5.110 -0.345 1.00 . A A . 9 LEU HD21 1 1 10 1479 1 1 9 LEU HD22 H 7.695 -5.004 -1.814 1.00 . A A . 9 LEU HD22 1 1 10 1480 1 1 9 LEU HD23 H 6.611 -3.662 -1.378 1.00 . A A . 9 LEU HD23 1 1 10 1481 1 1 9 LEU HG H 5.768 -6.465 -2.183 1.00 . A A . 9 LEU HG 1 1 10 1482 1 1 9 LEU N N 1.933 -5.681 -2.063 1.00 . A A . 9 LEU N 1 1 10 1483 1 1 9 LEU O O 3.614 -8.004 -0.076 1.00 . A A . 9 LEU O 1 1 10 1484 1 1 10 MET C C 0.702 -6.833 2.348 1.00 . A A . 10 MET C 1 1 10 1485 1 1 10 MET CA C 2.183 -6.823 1.982 1.00 . A A . 10 MET CA 1 1 10 1486 1 1 10 MET CB C 2.972 -6.020 3.018 1.00 . A A . 10 MET CB 1 1 10 1487 1 1 10 MET CE C 2.278 -2.799 0.986 1.00 . A A . 10 MET CE 1 1 10 1488 1 1 10 MET CG C 2.552 -4.562 3.106 1.00 . A A . 10 MET CG 1 1 10 1489 1 1 10 MET H H 1.981 -5.366 0.425 1.00 . A A . 10 MET H 1 1 10 1490 1 1 10 MET HA H 2.549 -7.850 1.987 1.00 . A A . 10 MET HA 1 1 10 1491 1 1 10 MET HB2 H 2.839 -6.483 3.996 1.00 . A A . 10 MET HB2 1 1 10 1492 1 1 10 MET HB3 H 4.028 -6.059 2.752 1.00 . A A . 10 MET HB3 1 1 10 1493 1 1 10 MET HE1 H 2.736 -2.112 0.274 1.00 . A A . 10 MET HE1 1 1 10 1494 1 1 10 MET HE2 H 1.549 -2.261 1.592 1.00 . A A . 10 MET HE2 1 1 10 1495 1 1 10 MET HE3 H 1.779 -3.603 0.446 1.00 . A A . 10 MET HE3 1 1 10 1496 1 1 10 MET HG2 H 1.508 -4.481 2.804 1.00 . A A . 10 MET HG2 1 1 10 1497 1 1 10 MET HG3 H 2.649 -4.228 4.139 1.00 . A A . 10 MET HG3 1 1 10 1498 1 1 10 MET N N 2.385 -6.264 0.650 1.00 . A A . 10 MET N 1 1 10 1499 1 1 10 MET O O 0.344 -6.861 3.527 1.00 . A A . 10 MET O 1 1 10 1500 1 1 10 MET SD S 3.543 -3.489 2.049 1.00 . A A . 10 MET SD 1 1 11 1501 1 1 1 GLY C C 7.407 6.337 -1.554 1.00 . A A . 1 GLY C 1 1 11 1502 1 1 1 GLY CA C 8.667 5.991 -0.787 1.00 . A A . 1 GLY CA 1 1 11 1503 1 1 1 GLY H1 H 10.642 6.442 -0.750 1.00 . A A . 1 GLY H1 1 1 11 1504 1 1 1 GLY H2 H 9.924 6.692 -2.213 1.00 . A A . 1 GLY H2 1 1 11 1505 1 1 1 GLY H3 H 9.659 7.748 -0.973 1.00 . A A . 1 GLY H3 1 1 11 1506 1 1 1 GLY HA2 H 8.892 4.936 -0.942 1.00 . A A . 1 GLY HA2 1 1 11 1507 1 1 1 GLY HA3 H 8.494 6.164 0.275 1.00 . A A . 1 GLY HA3 1 1 11 1508 1 1 1 GLY N N 9.810 6.778 -1.213 1.00 . A A . 1 GLY N 1 1 11 1509 1 1 1 GLY O O 7.347 7.361 -2.234 1.00 . A A . 1 GLY O 1 1 11 1510 1 1 2 ASN C C 4.010 5.989 -1.144 1.00 . A A . 2 ASN C 1 1 11 1511 1 1 2 ASN CA C 5.131 5.700 -2.139 1.00 . A A . 2 ASN CA 1 1 11 1512 1 1 2 ASN CB C 4.772 4.478 -2.988 1.00 . A A . 2 ASN CB 1 1 11 1513 1 1 2 ASN CG C 4.500 3.247 -2.145 1.00 . A A . 2 ASN CG 1 1 11 1514 1 1 2 ASN H H 6.507 4.657 -0.873 1.00 . A A . 2 ASN H 1 1 11 1515 1 1 2 ASN HA H 5.241 6.561 -2.798 1.00 . A A . 2 ASN HA 1 1 11 1516 1 1 2 ASN HB2 H 3.880 4.707 -3.571 1.00 . A A . 2 ASN HB2 1 1 11 1517 1 1 2 ASN HB3 H 5.596 4.266 -3.670 1.00 . A A . 2 ASN HB3 1 1 11 1518 1 1 2 ASN HD21 H 6.410 2.610 -2.402 1.00 . A A . 2 ASN HD21 1 1 11 1519 1 1 2 ASN HD22 H 5.395 1.573 -1.424 1.00 . A A . 2 ASN HD22 1 1 11 1520 1 1 2 ASN N N 6.396 5.480 -1.447 1.00 . A A . 2 ASN N 1 1 11 1521 1 1 2 ASN ND2 N 5.516 2.410 -1.977 1.00 . A A . 2 ASN ND2 1 1 11 1522 1 1 2 ASN O O 4.235 6.030 0.065 1.00 . A A . 2 ASN O 1 1 11 1523 1 1 2 ASN OD1 O 3.389 3.054 -1.650 1.00 . A A . 2 ASN OD1 1 1 11 1524 1 1 3 HIS C C 0.626 5.340 -0.900 1.00 . A A . 3 HIS C 1 1 11 1525 1 1 3 HIS CA C 1.646 6.471 -0.822 1.00 . A A . 3 HIS CA 1 1 11 1526 1 1 3 HIS CB C 0.995 7.788 -1.239 1.00 . A A . 3 HIS CB 1 1 11 1527 1 1 3 HIS CD2 C -0.826 7.631 0.605 1.00 . A A . 3 HIS CD2 1 1 11 1528 1 1 3 HIS CE1 C -1.199 9.775 0.842 1.00 . A A . 3 HIS CE1 1 1 11 1529 1 1 3 HIS CG C -0.016 8.309 -0.255 1.00 . A A . 3 HIS CG 1 1 11 1530 1 1 3 HIS H H 2.684 6.140 -2.666 1.00 . A A . 3 HIS H 1 1 11 1531 1 1 3 HIS HA H 1.983 6.563 0.210 1.00 . A A . 3 HIS HA 1 1 11 1532 1 1 3 HIS HB2 H 1.779 8.537 -1.354 1.00 . A A . 3 HIS HB2 1 1 11 1533 1 1 3 HIS HB3 H 0.504 7.646 -2.202 1.00 . A A . 3 HIS HB3 1 1 11 1534 1 1 3 HIS HD2 H -0.878 6.559 0.727 1.00 . A A . 3 HIS HD2 1 1 11 1535 1 1 3 HIS HE1 H -1.606 10.713 1.191 1.00 . A A . 3 HIS HE1 1 1 11 1536 1 1 3 HIS HE2 H -2.264 8.388 2.003 1.00 . A A . 3 HIS HE2 1 1 11 1537 1 1 3 HIS N N 2.803 6.187 -1.664 1.00 . A A . 3 HIS N 1 1 11 1538 1 1 3 HIS ND1 N -0.265 9.662 -0.091 1.00 . A A . 3 HIS ND1 1 1 11 1539 1 1 3 HIS NE2 N -1.570 8.574 1.293 1.00 . A A . 3 HIS NE2 1 1 11 1540 1 1 3 HIS O O 0.421 4.608 0.069 1.00 . A A . 3 HIS O 1 1 11 1541 1 1 4 TRP C C -0.349 2.840 -2.637 1.00 . A A . 4 TRP C 1 1 11 1542 1 1 4 TRP CA C -1.010 4.161 -2.261 1.00 . A A . 4 TRP CA 1 1 11 1543 1 1 4 TRP CB C -1.998 4.579 -3.352 1.00 . A A . 4 TRP CB 1 1 11 1544 1 1 4 TRP CD1 C -0.214 4.685 -5.190 1.00 . A A . 4 TRP CD1 1 1 11 1545 1 1 4 TRP CD2 C -2.180 3.842 -5.860 1.00 . A A . 4 TRP CD2 1 1 11 1546 1 1 4 TRP CE2 C -1.294 3.846 -6.956 1.00 . A A . 4 TRP CE2 1 1 11 1547 1 1 4 TRP CE3 C -3.475 3.356 -6.043 1.00 . A A . 4 TRP CE3 1 1 11 1548 1 1 4 TRP CG C -1.468 4.384 -4.740 1.00 . A A . 4 TRP CG 1 1 11 1549 1 1 4 TRP CH2 C -2.942 2.911 -8.365 1.00 . A A . 4 TRP CH2 1 1 11 1550 1 1 4 TRP CZ2 C -1.666 3.382 -8.214 1.00 . A A . 4 TRP CZ2 1 1 11 1551 1 1 4 TRP CZ3 C -3.844 2.896 -7.292 1.00 . A A . 4 TRP CZ3 1 1 11 1552 1 1 4 TRP H H 0.204 5.836 -2.815 1.00 . A A . 4 TRP H 1 1 11 1553 1 1 4 TRP HA H -1.560 4.021 -1.330 1.00 . A A . 4 TRP HA 1 1 11 1554 1 1 4 TRP HB2 H -2.906 3.985 -3.242 1.00 . A A . 4 TRP HB2 1 1 11 1555 1 1 4 TRP HB3 H -2.248 5.631 -3.216 1.00 . A A . 4 TRP HB3 1 1 11 1556 1 1 4 TRP HD1 H 0.575 5.112 -4.588 1.00 . A A . 4 TRP HD1 1 1 11 1557 1 1 4 TRP HE1 H 0.722 4.492 -7.088 1.00 . A A . 4 TRP HE1 1 1 11 1558 1 1 4 TRP HE3 H -4.177 3.340 -5.222 1.00 . A A . 4 TRP HE3 1 1 11 1559 1 1 4 TRP HH2 H -3.260 2.544 -9.329 1.00 . A A . 4 TRP HH2 1 1 11 1560 1 1 4 TRP HZ2 H -0.972 3.393 -9.042 1.00 . A A . 4 TRP HZ2 1 1 11 1561 1 1 4 TRP HZ3 H -4.844 2.518 -7.445 1.00 . A A . 4 TRP HZ3 1 1 11 1562 1 1 4 TRP N N -0.010 5.203 -2.057 1.00 . A A . 4 TRP N 1 1 11 1563 1 1 4 TRP NE1 N -0.104 4.365 -6.521 1.00 . A A . 4 TRP NE1 1 1 11 1564 1 1 4 TRP O O 0.867 2.690 -2.530 1.00 . A A . 4 TRP O 1 1 11 1565 1 1 5 ALA C C -0.062 -0.168 -2.276 1.00 . A A . 5 ALA C 1 1 11 1566 1 1 5 ALA CA C -0.653 0.573 -3.470 1.00 . A A . 5 ALA CA 1 1 11 1567 1 1 5 ALA CB C 0.390 0.719 -4.570 1.00 . A A . 5 ALA CB 1 1 11 1568 1 1 5 ALA H H -2.150 2.065 -3.140 1.00 . A A . 5 ALA H 1 1 11 1569 1 1 5 ALA HA H -1.484 -0.014 -3.861 1.00 . A A . 5 ALA HA 1 1 11 1570 1 1 5 ALA HB1 H 0.210 -0.028 -5.344 1.00 . A A . 5 ALA HB1 1 1 11 1571 1 1 5 ALA HB2 H 0.322 1.716 -5.005 1.00 . A A . 5 ALA HB2 1 1 11 1572 1 1 5 ALA HB3 H 1.385 0.573 -4.149 1.00 . A A . 5 ALA HB3 1 1 11 1573 1 1 5 ALA N N -1.159 1.881 -3.077 1.00 . A A . 5 ALA N 1 1 11 1574 1 1 5 ALA O O 0.885 -0.942 -2.418 1.00 . A A . 5 ALA O 1 1 11 1575 1 1 6 VAL C C -0.978 -1.822 0.433 1.00 . A A . 6 VAL C 1 1 11 1576 1 1 6 VAL CA C -0.159 -0.574 0.124 1.00 . A A . 6 VAL CA 1 1 11 1577 1 1 6 VAL CB C -0.226 0.385 1.324 1.00 . A A . 6 VAL CB 1 1 11 1578 1 1 6 VAL CG1 C 0.643 1.609 1.083 1.00 . A A . 6 VAL CG1 1 1 11 1579 1 1 6 VAL CG2 C -1.666 0.789 1.605 1.00 . A A . 6 VAL CG2 1 1 11 1580 1 1 6 VAL H H -1.404 0.717 -1.047 1.00 . A A . 6 VAL H 1 1 11 1581 1 1 6 VAL HA H 0.880 -0.871 -0.021 1.00 . A A . 6 VAL HA 1 1 11 1582 1 1 6 VAL HB H 0.158 -0.138 2.200 1.00 . A A . 6 VAL HB 1 1 11 1583 1 1 6 VAL HG11 H 1.668 1.294 0.884 1.00 . A A . 6 VAL HG11 1 1 11 1584 1 1 6 VAL HG12 H 0.261 2.163 0.226 1.00 . A A . 6 VAL HG12 1 1 11 1585 1 1 6 VAL HG13 H 0.624 2.248 1.966 1.00 . A A . 6 VAL HG13 1 1 11 1586 1 1 6 VAL HG21 H -2.268 -0.104 1.774 1.00 . A A . 6 VAL HG21 1 1 11 1587 1 1 6 VAL HG22 H -2.062 1.338 0.751 1.00 . A A . 6 VAL HG22 1 1 11 1588 1 1 6 VAL HG23 H -1.699 1.423 2.491 1.00 . A A . 6 VAL HG23 1 1 11 1589 1 1 6 VAL N N -0.629 0.072 -1.098 1.00 . A A . 6 VAL N 1 1 11 1590 1 1 6 VAL O O -1.056 -2.254 1.583 1.00 . A A . 6 VAL O 1 1 11 1591 1 1 7 GLY C C -2.083 -4.661 -1.444 1.00 . A A . 7 GLY C 1 1 11 1592 1 1 7 GLY CA C -2.390 -3.591 -0.416 1.00 . A A . 7 GLY CA 1 1 11 1593 1 1 7 GLY H H -1.485 -1.999 -1.522 1.00 . A A . 7 GLY H 1 1 11 1594 1 1 7 GLY HA2 H -2.195 -3.995 0.578 1.00 . A A . 7 GLY HA2 1 1 11 1595 1 1 7 GLY HA3 H -3.444 -3.322 -0.489 1.00 . A A . 7 GLY HA3 1 1 11 1596 1 1 7 GLY N N -1.585 -2.397 -0.599 1.00 . A A . 7 GLY N 1 1 11 1597 1 1 7 GLY O O -2.983 -5.358 -1.913 1.00 . A A . 7 GLY O 1 1 11 1598 1 1 8 HIS C C 0.902 -6.476 -2.330 1.00 . A A . 8 HIS C 1 1 11 1599 1 1 8 HIS CA C -0.385 -5.786 -2.776 1.00 . A A . 8 HIS CA 1 1 11 1600 1 1 8 HIS CB C -0.176 -5.128 -4.142 1.00 . A A . 8 HIS CB 1 1 11 1601 1 1 8 HIS CD2 C -1.220 -2.860 -4.859 1.00 . A A . 8 HIS CD2 1 1 11 1602 1 1 8 HIS CE1 C -3.310 -3.505 -4.939 1.00 . A A . 8 HIS CE1 1 1 11 1603 1 1 8 HIS CG C -1.280 -4.179 -4.521 1.00 . A A . 8 HIS CG 1 1 11 1604 1 1 8 HIS H H -0.115 -4.191 -1.374 1.00 . A A . 8 HIS H 1 1 11 1605 1 1 8 HIS HA H -1.168 -6.538 -2.869 1.00 . A A . 8 HIS HA 1 1 11 1606 1 1 8 HIS HB2 H 0.768 -4.582 -4.129 1.00 . A A . 8 HIS HB2 1 1 11 1607 1 1 8 HIS HB3 H -0.119 -5.911 -4.898 1.00 . A A . 8 HIS HB3 1 1 11 1608 1 1 8 HIS HD2 H -0.330 -2.250 -4.912 1.00 . A A . 8 HIS HD2 1 1 11 1609 1 1 8 HIS HE1 H -4.382 -3.494 -5.069 1.00 . A A . 8 HIS HE1 1 1 11 1610 1 1 8 HIS HE2 H -2.805 -1.523 -5.399 1.00 . A A . 8 HIS HE2 1 1 11 1611 1 1 8 HIS N N -0.808 -4.793 -1.796 1.00 . A A . 8 HIS N 1 1 11 1612 1 1 8 HIS ND1 N -2.608 -4.568 -4.577 1.00 . A A . 8 HIS ND1 1 1 11 1613 1 1 8 HIS NE2 N -2.515 -2.450 -5.121 1.00 . A A . 8 HIS NE2 1 1 11 1614 1 1 8 HIS O O 0.958 -7.702 -2.233 1.00 . A A . 8 HIS O 1 1 11 1615 1 1 9 LEU C C 3.089 -6.906 -0.272 1.00 . A A . 9 LEU C 1 1 11 1616 1 1 9 LEU CA C 3.217 -6.215 -1.626 1.00 . A A . 9 LEU CA 1 1 11 1617 1 1 9 LEU CB C 4.255 -5.095 -1.544 1.00 . A A . 9 LEU CB 1 1 11 1618 1 1 9 LEU CD1 C 5.626 -4.928 -3.635 1.00 . A A . 9 LEU CD1 1 1 11 1619 1 1 9 LEU CD2 C 6.729 -4.718 -1.400 1.00 . A A . 9 LEU CD2 1 1 11 1620 1 1 9 LEU CG C 5.611 -5.389 -2.186 1.00 . A A . 9 LEU CG 1 1 11 1621 1 1 9 LEU H H 1.821 -4.682 -2.160 1.00 . A A . 9 LEU H 1 1 11 1622 1 1 9 LEU HA H 3.554 -6.948 -2.359 1.00 . A A . 9 LEU HA 1 1 11 1623 1 1 9 LEU HB2 H 3.837 -4.217 -2.036 1.00 . A A . 9 LEU HB2 1 1 11 1624 1 1 9 LEU HB3 H 4.418 -4.855 -0.493 1.00 . A A . 9 LEU HB3 1 1 11 1625 1 1 9 LEU HD11 H 4.820 -5.418 -4.181 1.00 . A A . 9 LEU HD11 1 1 11 1626 1 1 9 LEU HD12 H 5.486 -3.848 -3.674 1.00 . A A . 9 LEU HD12 1 1 11 1627 1 1 9 LEU HD13 H 6.583 -5.187 -4.089 1.00 . A A . 9 LEU HD13 1 1 11 1628 1 1 9 LEU HD21 H 6.702 -5.060 -0.365 1.00 . A A . 9 LEU HD21 1 1 11 1629 1 1 9 LEU HD22 H 6.594 -3.637 -1.428 1.00 . A A . 9 LEU HD22 1 1 11 1630 1 1 9 LEU HD23 H 7.691 -4.976 -1.844 1.00 . A A . 9 LEU HD23 1 1 11 1631 1 1 9 LEU HG H 5.775 -6.466 -2.166 1.00 . A A . 9 LEU HG 1 1 11 1632 1 1 9 LEU N N 1.931 -5.681 -2.061 1.00 . A A . 9 LEU N 1 1 11 1633 1 1 9 LEU O O 3.540 -8.037 -0.097 1.00 . A A . 9 LEU O 1 1 11 1634 1 1 10 MET C C 0.799 -6.822 2.379 1.00 . A A . 10 MET C 1 1 11 1635 1 1 10 MET CA C 2.280 -6.767 2.019 1.00 . A A . 10 MET CA 1 1 11 1636 1 1 10 MET CB C 3.037 -5.928 3.051 1.00 . A A . 10 MET CB 1 1 11 1637 1 1 10 MET CE C 2.417 -2.745 0.895 1.00 . A A . 10 MET CE 1 1 11 1638 1 1 10 MET CG C 2.631 -4.463 3.059 1.00 . A A . 10 MET CG 1 1 11 1639 1 1 10 MET H H 2.123 -5.292 0.476 1.00 . A A . 10 MET H 1 1 11 1640 1 1 10 MET HA H 2.679 -7.781 2.037 1.00 . A A . 10 MET HA 1 1 11 1641 1 1 10 MET HB2 H 2.860 -6.347 4.042 1.00 . A A . 10 MET HB2 1 1 11 1642 1 1 10 MET HB3 H 4.103 -5.989 2.830 1.00 . A A . 10 MET HB3 1 1 11 1643 1 1 10 MET HE1 H 2.898 -2.093 0.166 1.00 . A A . 10 MET HE1 1 1 11 1644 1 1 10 MET HE2 H 1.891 -3.545 0.374 1.00 . A A . 10 MET HE2 1 1 11 1645 1 1 10 MET HE3 H 1.707 -2.167 1.486 1.00 . A A . 10 MET HE3 1 1 11 1646 1 1 10 MET HG2 H 1.595 -4.386 2.729 1.00 . A A . 10 MET HG2 1 1 11 1647 1 1 10 MET HG3 H 2.707 -4.080 4.077 1.00 . A A . 10 MET HG3 1 1 11 1648 1 1 10 MET N N 2.470 -6.218 0.682 1.00 . A A . 10 MET N 1 1 11 1649 1 1 10 MET O O -0.009 -6.062 1.843 1.00 . A A . 10 MET O 1 1 11 1650 1 1 10 MET SD S 3.658 -3.452 1.976 1.00 . A A . 10 MET SD 1 1 12 1651 1 1 1 GLY C C 6.270 6.774 -3.256 1.00 . A A . 1 GLY C 1 1 12 1652 1 1 1 GLY CA C 7.567 7.308 -2.680 1.00 . A A . 1 GLY CA 1 1 12 1653 1 1 1 GLY H1 H 9.572 7.139 -2.922 1.00 . A A . 1 GLY H1 1 1 12 1654 1 1 1 GLY H2 H 8.711 6.990 -4.321 1.00 . A A . 1 GLY H2 1 1 12 1655 1 1 1 GLY H3 H 8.738 5.751 -3.233 1.00 . A A . 1 GLY H3 1 1 12 1656 1 1 1 GLY HA2 H 7.610 7.064 -1.619 1.00 . A A . 1 GLY HA2 1 1 12 1657 1 1 1 GLY HA3 H 7.581 8.392 -2.795 1.00 . A A . 1 GLY HA3 1 1 12 1658 1 1 1 GLY N N 8.736 6.755 -3.339 1.00 . A A . 1 GLY N 1 1 12 1659 1 1 1 GLY O O 5.789 7.264 -4.277 1.00 . A A . 1 GLY O 1 1 12 1660 1 1 2 ASN C C 3.410 5.176 -1.944 1.00 . A A . 2 ASN C 1 1 12 1661 1 1 2 ASN CA C 4.457 5.163 -3.055 1.00 . A A . 2 ASN CA 1 1 12 1662 1 1 2 ASN CB C 4.701 3.728 -3.525 1.00 . A A . 2 ASN CB 1 1 12 1663 1 1 2 ASN CG C 5.566 2.943 -2.559 1.00 . A A . 2 ASN CG 1 1 12 1664 1 1 2 ASN H H 6.149 5.409 -1.766 1.00 . A A . 2 ASN H 1 1 12 1665 1 1 2 ASN HA H 4.078 5.744 -3.896 1.00 . A A . 2 ASN HA 1 1 12 1666 1 1 2 ASN HB2 H 3.740 3.224 -3.623 1.00 . A A . 2 ASN HB2 1 1 12 1667 1 1 2 ASN HB3 H 5.190 3.752 -4.499 1.00 . A A . 2 ASN HB3 1 1 12 1668 1 1 2 ASN HD21 H 6.066 1.628 -4.025 1.00 . A A . 2 ASN HD21 1 1 12 1669 1 1 2 ASN HD22 H 6.775 1.313 -2.457 1.00 . A A . 2 ASN HD22 1 1 12 1670 1 1 2 ASN N N 5.704 5.766 -2.600 1.00 . A A . 2 ASN N 1 1 12 1671 1 1 2 ASN ND2 N 6.185 1.876 -3.053 1.00 . A A . 2 ASN ND2 1 1 12 1672 1 1 2 ASN O O 3.239 4.189 -1.227 1.00 . A A . 2 ASN O 1 1 12 1673 1 1 2 ASN OD1 O 5.676 3.290 -1.384 1.00 . A A . 2 ASN OD1 1 1 12 1674 1 1 3 HIS C C 0.664 5.305 -0.880 1.00 . A A . 3 HIS C 1 1 12 1675 1 1 3 HIS CA C 1.682 6.439 -0.785 1.00 . A A . 3 HIS CA 1 1 12 1676 1 1 3 HIS CB C 0.976 7.785 -0.923 1.00 . A A . 3 HIS CB 1 1 12 1677 1 1 3 HIS CD2 C 0.169 7.627 1.540 1.00 . A A . 3 HIS CD2 1 1 12 1678 1 1 3 HIS CE1 C -0.867 9.553 1.641 1.00 . A A . 3 HIS CE1 1 1 12 1679 1 1 3 HIS CG C 0.284 8.245 0.331 1.00 . A A . 3 HIS CG 1 1 12 1680 1 1 3 HIS H H 2.900 7.073 -2.427 1.00 . A A . 3 HIS H 1 1 12 1681 1 1 3 HIS HA H 2.158 6.396 0.195 1.00 . A A . 3 HIS HA 1 1 12 1682 1 1 3 HIS HB2 H 1.718 8.534 -1.199 1.00 . A A . 3 HIS HB2 1 1 12 1683 1 1 3 HIS HB3 H 0.239 7.712 -1.722 1.00 . A A . 3 HIS HB3 1 1 12 1684 1 1 3 HIS HD2 H 0.573 6.662 1.809 1.00 . A A . 3 HIS HD2 1 1 12 1685 1 1 3 HIS HE1 H -1.436 10.393 2.011 1.00 . A A . 3 HIS HE1 1 1 12 1686 1 1 3 HIS HE2 H -0.821 8.296 3.320 1.00 . A A . 3 HIS HE2 1 1 12 1687 1 1 3 HIS N N 2.712 6.298 -1.807 1.00 . A A . 3 HIS N 1 1 12 1688 1 1 3 HIS ND1 N -0.376 9.459 0.413 1.00 . A A . 3 HIS ND1 1 1 12 1689 1 1 3 HIS NE2 N -0.564 8.469 2.359 1.00 . A A . 3 HIS NE2 1 1 12 1690 1 1 3 HIS O O 0.480 4.543 0.069 1.00 . A A . 3 HIS O 1 1 12 1691 1 1 4 TRP C C -0.329 2.838 -2.616 1.00 . A A . 4 TRP C 1 1 12 1692 1 1 4 TRP CA C -0.991 4.162 -2.248 1.00 . A A . 4 TRP CA 1 1 12 1693 1 1 4 TRP CB C -1.964 4.583 -3.350 1.00 . A A . 4 TRP CB 1 1 12 1694 1 1 4 TRP CD1 C -0.156 4.688 -5.164 1.00 . A A . 4 TRP CD1 1 1 12 1695 1 1 4 TRP CD2 C -2.113 3.851 -5.862 1.00 . A A . 4 TRP CD2 1 1 12 1696 1 1 4 TRP CE2 C -1.214 3.854 -6.946 1.00 . A A . 4 TRP CE2 1 1 12 1697 1 1 4 TRP CE3 C -3.409 3.368 -6.063 1.00 . A A . 4 TRP CE3 1 1 12 1698 1 1 4 TRP CG C -1.417 4.388 -4.732 1.00 . A A . 4 TRP CG 1 1 12 1699 1 1 4 TRP CH2 C -2.845 2.925 -8.379 1.00 . A A . 4 TRP CH2 1 1 12 1700 1 1 4 TRP CZ2 C -1.571 3.392 -8.210 1.00 . A A . 4 TRP CZ2 1 1 12 1701 1 1 4 TRP CZ3 C -3.761 2.910 -7.319 1.00 . A A . 4 TRP CZ3 1 1 12 1702 1 1 4 TRP H H 0.206 5.858 -2.771 1.00 . A A . 4 TRP H 1 1 12 1703 1 1 4 TRP HA H -1.553 4.023 -1.324 1.00 . A A . 4 TRP HA 1 1 12 1704 1 1 4 TRP HB2 H -2.874 3.991 -3.252 1.00 . A A . 4 TRP HB2 1 1 12 1705 1 1 4 TRP HB3 H -2.213 5.636 -3.216 1.00 . A A . 4 TRP HB3 1 1 12 1706 1 1 4 TRP HD1 H 0.624 5.113 -4.550 1.00 . A A . 4 TRP HD1 1 1 12 1707 1 1 4 TRP HE1 H 0.807 4.494 -7.050 1.00 . A A . 4 TRP HE1 1 1 12 1708 1 1 4 TRP HE3 H -4.122 3.353 -5.252 1.00 . A A . 4 TRP HE3 1 1 12 1709 1 1 4 TRP HH2 H -3.151 2.561 -9.348 1.00 . A A . 4 TRP HH2 1 1 12 1710 1 1 4 TRP HZ2 H -0.866 3.402 -9.028 1.00 . A A . 4 TRP HZ2 1 1 12 1711 1 1 4 TRP HZ3 H -4.760 2.534 -7.486 1.00 . A A . 4 TRP HZ3 1 1 12 1712 1 1 4 TRP N N 0.008 5.201 -2.030 1.00 . A A . 4 TRP N 1 1 12 1713 1 1 4 TRP NE1 N -0.027 4.369 -6.495 1.00 . A A . 4 TRP NE1 1 1 12 1714 1 1 4 TRP O O 0.886 2.687 -2.493 1.00 . A A . 4 TRP O 1 1 12 1715 1 1 5 ALA C C -0.055 -0.170 -2.255 1.00 . A A . 5 ALA C 1 1 12 1716 1 1 5 ALA CA C -0.626 0.575 -3.457 1.00 . A A . 5 ALA CA 1 1 12 1717 1 1 5 ALA CB C 0.431 0.719 -4.542 1.00 . A A . 5 ALA CB 1 1 12 1718 1 1 5 ALA H H -2.126 2.072 -3.146 1.00 . A A . 5 ALA H 1 1 12 1719 1 1 5 ALA HA H -1.453 -0.009 -3.860 1.00 . A A . 5 ALA HA 1 1 12 1720 1 1 5 ALA HB1 H 0.259 -0.026 -5.319 1.00 . A A . 5 ALA HB1 1 1 12 1721 1 1 5 ALA HB2 H 0.371 1.717 -4.977 1.00 . A A . 5 ALA HB2 1 1 12 1722 1 1 5 ALA HB3 H 1.420 0.570 -4.108 1.00 . A A . 5 ALA HB3 1 1 12 1723 1 1 5 ALA N N -1.136 1.885 -3.069 1.00 . A A . 5 ALA N 1 1 12 1724 1 1 5 ALA O O 0.895 -0.943 -2.386 1.00 . A A . 5 ALA O 1 1 12 1725 1 1 6 VAL C C -1.011 -1.829 0.435 1.00 . A A . 6 VAL C 1 1 12 1726 1 1 6 VAL CA C -0.188 -0.582 0.142 1.00 . A A . 6 VAL CA 1 1 12 1727 1 1 6 VAL CB C -0.273 0.373 1.344 1.00 . A A . 6 VAL CB 1 1 12 1728 1 1 6 VAL CG1 C 0.592 1.604 1.114 1.00 . A A . 6 VAL CG1 1 1 12 1729 1 1 6 VAL CG2 C -1.717 0.769 1.610 1.00 . A A . 6 VAL CG2 1 1 12 1730 1 1 6 VAL H H -1.414 0.714 -1.044 1.00 . A A . 6 VAL H 1 1 12 1731 1 1 6 VAL HA H 0.853 -0.879 0.012 1.00 . A A . 6 VAL HA 1 1 12 1732 1 1 6 VAL HB H 0.105 -0.150 2.223 1.00 . A A . 6 VAL HB 1 1 12 1733 1 1 6 VAL HG11 H 1.620 1.296 0.926 1.00 . A A . 6 VAL HG11 1 1 12 1734 1 1 6 VAL HG12 H 0.215 2.157 0.253 1.00 . A A . 6 VAL HG12 1 1 12 1735 1 1 6 VAL HG13 H 0.559 2.241 1.998 1.00 . A A . 6 VAL HG13 1 1 12 1736 1 1 6 VAL HG21 H -2.316 -0.127 1.771 1.00 . A A . 6 VAL HG21 1 1 12 1737 1 1 6 VAL HG22 H -1.763 1.401 2.497 1.00 . A A . 6 VAL HG22 1 1 12 1738 1 1 6 VAL HG23 H -2.107 1.317 0.753 1.00 . A A . 6 VAL HG23 1 1 12 1739 1 1 6 VAL N N -0.639 0.068 -1.085 1.00 . A A . 6 VAL N 1 1 12 1740 1 1 6 VAL O O -1.111 -2.264 1.583 1.00 . A A . 6 VAL O 1 1 12 1741 1 1 7 GLY C C -2.088 -4.665 -1.466 1.00 . A A . 7 GLY C 1 1 12 1742 1 1 7 GLY CA C -2.409 -3.597 -0.439 1.00 . A A . 7 GLY CA 1 1 12 1743 1 1 7 GLY H H -1.488 -2.005 -1.529 1.00 . A A . 7 GLY H 1 1 12 1744 1 1 7 GLY HA2 H -2.228 -4.003 0.556 1.00 . A A . 7 GLY HA2 1 1 12 1745 1 1 7 GLY HA3 H -3.462 -3.328 -0.525 1.00 . A A . 7 GLY HA3 1 1 12 1746 1 1 7 GLY N N -1.602 -2.404 -0.608 1.00 . A A . 7 GLY N 1 1 12 1747 1 1 7 GLY O O -2.984 -5.359 -1.951 1.00 . A A . 7 GLY O 1 1 12 1748 1 1 8 HIS C C 0.907 -6.478 -2.318 1.00 . A A . 8 HIS C 1 1 12 1749 1 1 8 HIS CA C -0.372 -5.786 -2.779 1.00 . A A . 8 HIS CA 1 1 12 1750 1 1 8 HIS CB C -0.146 -5.124 -4.140 1.00 . A A . 8 HIS CB 1 1 12 1751 1 1 8 HIS CD2 C -1.178 -2.853 -4.863 1.00 . A A . 8 HIS CD2 1 1 12 1752 1 1 8 HIS CE1 C -3.268 -3.496 -4.973 1.00 . A A . 8 HIS CE1 1 1 12 1753 1 1 8 HIS CG C -1.244 -4.173 -4.531 1.00 . A A . 8 HIS CG 1 1 12 1754 1 1 8 HIS H H -0.124 -4.195 -1.368 1.00 . A A . 8 HIS H 1 1 12 1755 1 1 8 HIS HA H -1.154 -6.538 -2.885 1.00 . A A . 8 HIS HA 1 1 12 1756 1 1 8 HIS HB2 H 0.793 -4.572 -4.104 1.00 . A A . 8 HIS HB2 1 1 12 1757 1 1 8 HIS HB3 H -0.067 -5.901 -4.900 1.00 . A A . 8 HIS HB3 1 1 12 1758 1 1 8 HIS HD2 H -0.287 -2.244 -4.902 1.00 . A A . 8 HIS HD2 1 1 12 1759 1 1 8 HIS HE1 H -4.338 -3.484 -5.118 1.00 . A A . 8 HIS HE1 1 1 12 1760 1 1 8 HIS HE2 H -2.754 -1.512 -5.417 1.00 . A A . 8 HIS HE2 1 1 12 1761 1 1 8 HIS N N -0.810 -4.796 -1.801 1.00 . A A . 8 HIS N 1 1 12 1762 1 1 8 HIS ND1 N -2.572 -4.561 -4.606 1.00 . A A . 8 HIS ND1 1 1 12 1763 1 1 8 HIS NE2 N -2.469 -2.440 -5.140 1.00 . A A . 8 HIS NE2 1 1 12 1764 1 1 8 HIS O O 0.966 -7.706 -2.236 1.00 . A A . 8 HIS O 1 1 12 1765 1 1 9 LEU C C 3.061 -6.905 -0.212 1.00 . A A . 9 LEU C 1 1 12 1766 1 1 9 LEU CA C 3.207 -6.219 -1.566 1.00 . A A . 9 LEU CA 1 1 12 1767 1 1 9 LEU CB C 4.247 -5.101 -1.475 1.00 . A A . 9 LEU CB 1 1 12 1768 1 1 9 LEU CD1 C 5.627 -4.985 -3.565 1.00 . A A . 9 LEU CD1 1 1 12 1769 1 1 9 LEU CD2 C 6.717 -4.693 -1.332 1.00 . A A . 9 LEU CD2 1 1 12 1770 1 1 9 LEU CG C 5.610 -5.400 -2.102 1.00 . A A . 9 LEU CG 1 1 12 1771 1 1 9 LEU H H 1.818 -4.684 -2.108 1.00 . A A . 9 LEU H 1 1 12 1772 1 1 9 LEU HA H 3.552 -6.955 -2.292 1.00 . A A . 9 LEU HA 1 1 12 1773 1 1 9 LEU HB2 H 3.837 -4.223 -1.973 1.00 . A A . 9 LEU HB2 1 1 12 1774 1 1 9 LEU HB3 H 4.399 -4.859 -0.423 1.00 . A A . 9 LEU HB3 1 1 12 1775 1 1 9 LEU HD11 H 4.829 -5.501 -4.099 1.00 . A A . 9 LEU HD11 1 1 12 1776 1 1 9 LEU HD12 H 6.588 -5.249 -4.006 1.00 . A A . 9 LEU HD12 1 1 12 1777 1 1 9 LEU HD13 H 5.477 -3.908 -3.639 1.00 . A A . 9 LEU HD13 1 1 12 1778 1 1 9 LEU HD21 H 6.689 -5.003 -0.287 1.00 . A A . 9 LEU HD21 1 1 12 1779 1 1 9 LEU HD22 H 7.683 -4.955 -1.762 1.00 . A A . 9 LEU HD22 1 1 12 1780 1 1 9 LEU HD23 H 6.572 -3.615 -1.395 1.00 . A A . 9 LEU HD23 1 1 12 1781 1 1 9 LEU HG H 5.785 -6.474 -2.047 1.00 . A A . 9 LEU HG 1 1 12 1782 1 1 9 LEU N N 1.929 -5.684 -2.019 1.00 . A A . 9 LEU N 1 1 12 1783 1 1 9 LEU O O 3.721 -7.908 0.062 1.00 . A A . 9 LEU O 1 1 12 1784 1 1 10 MET C C 0.993 -8.100 1.885 1.00 . A A . 10 MET C 1 1 12 1785 1 1 10 MET CA C 1.958 -6.921 1.958 1.00 . A A . 10 MET CA 1 1 12 1786 1 1 10 MET CB C 1.402 -5.850 2.898 1.00 . A A . 10 MET CB 1 1 12 1787 1 1 10 MET CE C 2.562 -2.905 1.036 1.00 . A A . 10 MET CE 1 1 12 1788 1 1 10 MET CG C 2.362 -4.696 3.140 1.00 . A A . 10 MET CG 1 1 12 1789 1 1 10 MET H H 1.681 -5.535 0.350 1.00 . A A . 10 MET H 1 1 12 1790 1 1 10 MET HA H 2.908 -7.274 2.358 1.00 . A A . 10 MET HA 1 1 12 1791 1 1 10 MET HB2 H 0.479 -5.455 2.473 1.00 . A A . 10 MET HB2 1 1 12 1792 1 1 10 MET HB3 H 1.176 -6.317 3.857 1.00 . A A . 10 MET HB3 1 1 12 1793 1 1 10 MET HE1 H 2.257 -1.967 0.573 1.00 . A A . 10 MET HE1 1 1 12 1794 1 1 10 MET HE2 H 3.637 -2.887 1.218 1.00 . A A . 10 MET HE2 1 1 12 1795 1 1 10 MET HE3 H 2.319 -3.734 0.372 1.00 . A A . 10 MET HE3 1 1 12 1796 1 1 10 MET HG2 H 2.571 -4.634 4.208 1.00 . A A . 10 MET HG2 1 1 12 1797 1 1 10 MET HG3 H 3.293 -4.893 2.608 1.00 . A A . 10 MET HG3 1 1 12 1798 1 1 10 MET N N 2.192 -6.359 0.633 1.00 . A A . 10 MET N 1 1 12 1799 1 1 10 MET O O 1.240 -9.155 2.472 1.00 . A A . 10 MET O 1 1 12 1800 1 1 10 MET SD S 1.698 -3.113 2.590 1.00 . A A . 10 MET SD 1 1 13 1801 1 1 1 GLY C C 7.208 6.484 -2.689 1.00 . A A . 1 GLY C 1 1 13 1802 1 1 1 GLY CA C 8.585 6.523 -2.055 1.00 . A A . 1 GLY CA 1 1 13 1803 1 1 1 GLY H1 H 9.733 7.711 -0.882 1.00 . A A . 1 GLY H1 1 1 13 1804 1 1 1 GLY H2 H 8.121 7.789 -0.543 1.00 . A A . 1 GLY H2 1 1 13 1805 1 1 1 GLY H3 H 8.718 8.537 -1.886 1.00 . A A . 1 GLY H3 1 1 13 1806 1 1 1 GLY HA2 H 9.338 6.461 -2.840 1.00 . A A . 1 GLY HA2 1 1 13 1807 1 1 1 GLY HA3 H 8.690 5.662 -1.395 1.00 . A A . 1 GLY HA3 1 1 13 1808 1 1 1 GLY N N 8.806 7.732 -1.283 1.00 . A A . 1 GLY N 1 1 13 1809 1 1 1 GLY O O 6.977 7.108 -3.724 1.00 . A A . 1 GLY O 1 1 13 1810 1 1 2 ASN C C 3.914 5.747 -1.451 1.00 . A A . 2 ASN C 1 1 13 1811 1 1 2 ASN CA C 4.933 5.628 -2.580 1.00 . A A . 2 ASN CA 1 1 13 1812 1 1 2 ASN CB C 4.754 4.291 -3.303 1.00 . A A . 2 ASN CB 1 1 13 1813 1 1 2 ASN CG C 4.746 3.113 -2.348 1.00 . A A . 2 ASN CG 1 1 13 1814 1 1 2 ASN H H 6.545 5.258 -1.220 1.00 . A A . 2 ASN H 1 1 13 1815 1 1 2 ASN HA H 4.758 6.434 -3.292 1.00 . A A . 2 ASN HA 1 1 13 1816 1 1 2 ASN HB2 H 3.808 4.310 -3.843 1.00 . A A . 2 ASN HB2 1 1 13 1817 1 1 2 ASN HB3 H 5.567 4.163 -4.017 1.00 . A A . 2 ASN HB3 1 1 13 1818 1 1 2 ASN HD21 H 6.666 2.661 -2.835 1.00 . A A . 2 ASN HD21 1 1 13 1819 1 1 2 ASN HD22 H 5.921 1.608 -1.654 1.00 . A A . 2 ASN HD22 1 1 13 1820 1 1 2 ASN N N 6.293 5.747 -2.067 1.00 . A A . 2 ASN N 1 1 13 1821 1 1 2 ASN ND2 N 5.867 2.404 -2.273 1.00 . A A . 2 ASN ND2 1 1 13 1822 1 1 2 ASN O O 4.189 5.376 -0.309 1.00 . A A . 2 ASN O 1 1 13 1823 1 1 2 ASN OD1 O 3.744 2.844 -1.685 1.00 . A A . 2 ASN OD1 1 1 13 1824 1 1 3 HIS C C 0.660 5.302 -0.886 1.00 . A A . 3 HIS C 1 1 13 1825 1 1 3 HIS CA C 1.675 6.437 -0.790 1.00 . A A . 3 HIS CA 1 1 13 1826 1 1 3 HIS CB C 0.974 7.780 -0.987 1.00 . A A . 3 HIS CB 1 1 13 1827 1 1 3 HIS CD2 C 0.515 7.968 1.563 1.00 . A A . 3 HIS CD2 1 1 13 1828 1 1 3 HIS CE1 C -0.972 9.571 1.481 1.00 . A A . 3 HIS CE1 1 1 13 1829 1 1 3 HIS CG C 0.330 8.321 0.259 1.00 . A A . 3 HIS CG 1 1 13 1830 1 1 3 HIS H H 2.570 6.556 -2.731 1.00 . A A . 3 HIS H 1 1 13 1831 1 1 3 HIS HA H 2.121 6.421 0.204 1.00 . A A . 3 HIS HA 1 1 13 1832 1 1 3 HIS HB2 H 1.704 8.506 -1.347 1.00 . A A . 3 HIS HB2 1 1 13 1833 1 1 3 HIS HB3 H 0.201 7.655 -1.746 1.00 . A A . 3 HIS HB3 1 1 13 1834 1 1 3 HIS HD2 H 1.185 7.206 1.932 1.00 . A A . 3 HIS HD2 1 1 13 1835 1 1 3 HIS HE1 H -1.697 10.313 1.781 1.00 . A A . 3 HIS HE1 1 1 13 1836 1 1 3 HIS HE2 H -0.410 8.749 3.328 1.00 . A A . 3 HIS HE2 1 1 13 1837 1 1 3 HIS N N 2.735 6.269 -1.777 1.00 . A A . 3 HIS N 1 1 13 1838 1 1 3 HIS ND1 N -0.613 9.335 0.229 1.00 . A A . 3 HIS ND1 1 1 13 1839 1 1 3 HIS NE2 N -0.316 8.768 2.323 1.00 . A A . 3 HIS NE2 1 1 13 1840 1 1 3 HIS O O 0.483 4.533 0.061 1.00 . A A . 3 HIS O 1 1 13 1841 1 1 4 TRP C C -0.337 2.839 -2.620 1.00 . A A . 4 TRP C 1 1 13 1842 1 1 4 TRP CA C -1.002 4.161 -2.249 1.00 . A A . 4 TRP CA 1 1 13 1843 1 1 4 TRP CB C -1.977 4.581 -3.350 1.00 . A A . 4 TRP CB 1 1 13 1844 1 1 4 TRP CD1 C -0.173 4.691 -5.166 1.00 . A A . 4 TRP CD1 1 1 13 1845 1 1 4 TRP CD2 C -2.130 3.851 -5.861 1.00 . A A . 4 TRP CD2 1 1 13 1846 1 1 4 TRP CE2 C -1.232 3.857 -6.947 1.00 . A A . 4 TRP CE2 1 1 13 1847 1 1 4 TRP CE3 C -3.424 3.365 -6.060 1.00 . A A . 4 TRP CE3 1 1 13 1848 1 1 4 TRP CG C -1.431 4.389 -4.732 1.00 . A A . 4 TRP CG 1 1 13 1849 1 1 4 TRP CH2 C -2.864 2.925 -8.377 1.00 . A A . 4 TRP CH2 1 1 13 1850 1 1 4 TRP CZ2 C -1.590 3.395 -8.211 1.00 . A A . 4 TRP CZ2 1 1 13 1851 1 1 4 TRP CZ3 C -3.778 2.908 -7.315 1.00 . A A . 4 TRP CZ3 1 1 13 1852 1 1 4 TRP H H 0.187 5.864 -2.770 1.00 . A A . 4 TRP H 1 1 13 1853 1 1 4 TRP HA H -1.563 4.020 -1.325 1.00 . A A . 4 TRP HA 1 1 13 1854 1 1 4 TRP HB2 H -2.886 3.987 -3.252 1.00 . A A . 4 TRP HB2 1 1 13 1855 1 1 4 TRP HB3 H -2.228 5.633 -3.214 1.00 . A A . 4 TRP HB3 1 1 13 1856 1 1 4 TRP HD1 H 0.608 5.117 -4.553 1.00 . A A . 4 TRP HD1 1 1 13 1857 1 1 4 TRP HE1 H 0.788 4.501 -7.055 1.00 . A A . 4 TRP HE1 1 1 13 1858 1 1 4 TRP HE3 H -4.135 3.347 -5.248 1.00 . A A . 4 TRP HE3 1 1 13 1859 1 1 4 TRP HH2 H -3.171 2.560 -9.346 1.00 . A A . 4 TRP HH2 1 1 13 1860 1 1 4 TRP HZ2 H -0.887 3.407 -9.031 1.00 . A A . 4 TRP HZ2 1 1 13 1861 1 1 4 TRP HZ3 H -4.777 2.531 -7.480 1.00 . A A . 4 TRP HZ3 1 1 13 1862 1 1 4 TRP N N -0.004 5.202 -2.031 1.00 . A A . 4 TRP N 1 1 13 1863 1 1 4 TRP NE1 N -0.045 4.374 -6.498 1.00 . A A . 4 TRP NE1 1 1 13 1864 1 1 4 TRP O O 0.878 2.690 -2.499 1.00 . A A . 4 TRP O 1 1 13 1865 1 1 5 ALA C C -0.056 -0.169 -2.262 1.00 . A A . 5 ALA C 1 1 13 1866 1 1 5 ALA CA C -0.631 0.575 -3.463 1.00 . A A . 5 ALA CA 1 1 13 1867 1 1 5 ALA CB C 0.423 0.724 -4.550 1.00 . A A . 5 ALA CB 1 1 13 1868 1 1 5 ALA H H -2.133 2.067 -3.144 1.00 . A A . 5 ALA H 1 1 13 1869 1 1 5 ALA HA H -1.458 -0.010 -3.865 1.00 . A A . 5 ALA HA 1 1 13 1870 1 1 5 ALA HB1 H 0.252 -0.020 -5.328 1.00 . A A . 5 ALA HB1 1 1 13 1871 1 1 5 ALA HB2 H 0.360 1.722 -4.983 1.00 . A A . 5 ALA HB2 1 1 13 1872 1 1 5 ALA HB3 H 1.413 0.577 -4.119 1.00 . A A . 5 ALA HB3 1 1 13 1873 1 1 5 ALA N N -1.143 1.883 -3.071 1.00 . A A . 5 ALA N 1 1 13 1874 1 1 5 ALA O O 0.892 -0.944 -2.397 1.00 . A A . 5 ALA O 1 1 13 1875 1 1 6 VAL C C -1.000 -1.827 0.432 1.00 . A A . 6 VAL C 1 1 13 1876 1 1 6 VAL CA C -0.178 -0.578 0.136 1.00 . A A . 6 VAL CA 1 1 13 1877 1 1 6 VAL CB C -0.259 0.377 1.338 1.00 . A A . 6 VAL CB 1 1 13 1878 1 1 6 VAL CG1 C 0.597 1.611 1.101 1.00 . A A . 6 VAL CG1 1 1 13 1879 1 1 6 VAL CG2 C -1.705 0.765 1.614 1.00 . A A . 6 VAL CG2 1 1 13 1880 1 1 6 VAL H H -1.408 0.718 -1.046 1.00 . A A . 6 VAL H 1 1 13 1881 1 1 6 VAL HA H 0.862 -0.875 0.002 1.00 . A A . 6 VAL HA 1 1 13 1882 1 1 6 VAL HB H 0.128 -0.144 2.214 1.00 . A A . 6 VAL HB 1 1 13 1883 1 1 6 VAL HG11 H 1.626 1.308 0.906 1.00 . A A . 6 VAL HG11 1 1 13 1884 1 1 6 VAL HG12 H 0.567 2.249 1.985 1.00 . A A . 6 VAL HG12 1 1 13 1885 1 1 6 VAL HG13 H 0.211 2.161 0.243 1.00 . A A . 6 VAL HG13 1 1 13 1886 1 1 6 VAL HG21 H -1.744 1.441 2.468 1.00 . A A . 6 VAL HG21 1 1 13 1887 1 1 6 VAL HG22 H -2.121 1.262 0.738 1.00 . A A . 6 VAL HG22 1 1 13 1888 1 1 6 VAL HG23 H -2.286 -0.131 1.833 1.00 . A A . 6 VAL HG23 1 1 13 1889 1 1 6 VAL N N -0.634 0.071 -1.090 1.00 . A A . 6 VAL N 1 1 13 1890 1 1 6 VAL O O -1.090 -2.264 1.579 1.00 . A A . 6 VAL O 1 1 13 1891 1 1 7 GLY C C -2.088 -4.660 -1.463 1.00 . A A . 7 GLY C 1 1 13 1892 1 1 7 GLY CA C -2.407 -3.591 -0.436 1.00 . A A . 7 GLY CA 1 1 13 1893 1 1 7 GLY H H -1.493 -1.996 -1.527 1.00 . A A . 7 GLY H 1 1 13 1894 1 1 7 GLY HA2 H -2.234 -3.995 0.561 1.00 . A A . 7 GLY HA2 1 1 13 1895 1 1 7 GLY HA3 H -3.458 -3.318 -0.530 1.00 . A A . 7 GLY HA3 1 1 13 1896 1 1 7 GLY N N -1.600 -2.398 -0.607 1.00 . A A . 7 GLY N 1 1 13 1897 1 1 7 GLY O O -2.982 -5.354 -1.947 1.00 . A A . 7 GLY O 1 1 13 1898 1 1 8 HIS C C 0.907 -6.476 -2.314 1.00 . A A . 8 HIS C 1 1 13 1899 1 1 8 HIS CA C -0.372 -5.784 -2.775 1.00 . A A . 8 HIS CA 1 1 13 1900 1 1 8 HIS CB C -0.146 -5.123 -4.137 1.00 . A A . 8 HIS CB 1 1 13 1901 1 1 8 HIS CD2 C -1.178 -2.854 -4.862 1.00 . A A . 8 HIS CD2 1 1 13 1902 1 1 8 HIS CE1 C -3.269 -3.498 -4.973 1.00 . A A . 8 HIS CE1 1 1 13 1903 1 1 8 HIS CG C -1.244 -4.173 -4.529 1.00 . A A . 8 HIS CG 1 1 13 1904 1 1 8 HIS H H -0.121 -4.191 -1.366 1.00 . A A . 8 HIS H 1 1 13 1905 1 1 8 HIS HA H -1.155 -6.535 -2.880 1.00 . A A . 8 HIS HA 1 1 13 1906 1 1 8 HIS HB2 H 0.793 -4.570 -4.101 1.00 . A A . 8 HIS HB2 1 1 13 1907 1 1 8 HIS HB3 H -0.067 -5.901 -4.896 1.00 . A A . 8 HIS HB3 1 1 13 1908 1 1 8 HIS HD2 H -0.287 -2.245 -4.901 1.00 . A A . 8 HIS HD2 1 1 13 1909 1 1 8 HIS HE1 H -4.339 -3.487 -5.119 1.00 . A A . 8 HIS HE1 1 1 13 1910 1 1 8 HIS HE2 H -2.755 -1.513 -5.420 1.00 . A A . 8 HIS HE2 1 1 13 1911 1 1 8 HIS N N -0.808 -4.792 -1.798 1.00 . A A . 8 HIS N 1 1 13 1912 1 1 8 HIS ND1 N -2.572 -4.561 -4.604 1.00 . A A . 8 HIS ND1 1 1 13 1913 1 1 8 HIS NE2 N -2.470 -2.441 -5.141 1.00 . A A . 8 HIS NE2 1 1 13 1914 1 1 8 HIS O O 0.961 -7.703 -2.216 1.00 . A A . 8 HIS O 1 1 13 1915 1 1 9 LEU C C 3.067 -6.913 -0.231 1.00 . A A . 9 LEU C 1 1 13 1916 1 1 9 LEU CA C 3.214 -6.219 -1.581 1.00 . A A . 9 LEU CA 1 1 13 1917 1 1 9 LEU CB C 4.251 -5.099 -1.482 1.00 . A A . 9 LEU CB 1 1 13 1918 1 1 9 LEU CD1 C 5.668 -4.878 -3.538 1.00 . A A . 9 LEU CD1 1 1 13 1919 1 1 9 LEU CD2 C 6.728 -4.770 -1.275 1.00 . A A . 9 LEU CD2 1 1 13 1920 1 1 9 LEU CG C 5.616 -5.391 -2.106 1.00 . A A . 9 LEU CG 1 1 13 1921 1 1 9 LEU H H 1.826 -4.684 -2.130 1.00 . A A . 9 LEU H 1 1 13 1922 1 1 9 LEU HA H 3.561 -6.950 -2.311 1.00 . A A . 9 LEU HA 1 1 13 1923 1 1 9 LEU HB2 H 3.840 -4.219 -1.977 1.00 . A A . 9 LEU HB2 1 1 13 1924 1 1 9 LEU HB3 H 4.399 -4.861 -0.429 1.00 . A A . 9 LEU HB3 1 1 13 1925 1 1 9 LEU HD11 H 4.865 -5.334 -4.117 1.00 . A A . 9 LEU HD11 1 1 13 1926 1 1 9 LEU HD12 H 5.548 -3.795 -3.540 1.00 . A A . 9 LEU HD12 1 1 13 1927 1 1 9 LEU HD13 H 6.629 -5.138 -3.982 1.00 . A A . 9 LEU HD13 1 1 13 1928 1 1 9 LEU HD21 H 6.674 -5.149 -0.254 1.00 . A A . 9 LEU HD21 1 1 13 1929 1 1 9 LEU HD22 H 7.694 -5.030 -1.709 1.00 . A A . 9 LEU HD22 1 1 13 1930 1 1 9 LEU HD23 H 6.613 -3.686 -1.267 1.00 . A A . 9 LEU HD23 1 1 13 1931 1 1 9 LEU HG H 5.762 -6.471 -2.123 1.00 . A A . 9 LEU HG 1 1 13 1932 1 1 9 LEU N N 1.934 -5.683 -2.031 1.00 . A A . 9 LEU N 1 1 13 1933 1 1 9 LEU O O 3.622 -7.991 -0.013 1.00 . A A . 9 LEU O 1 1 13 1934 1 1 10 MET C C 0.612 -6.839 2.354 1.00 . A A . 10 MET C 1 1 13 1935 1 1 10 MET CA C 2.096 -6.852 2.000 1.00 . A A . 10 MET CA 1 1 13 1936 1 1 10 MET CB C 2.889 -6.068 3.047 1.00 . A A . 10 MET CB 1 1 13 1937 1 1 10 MET CE C 2.242 -2.778 1.093 1.00 . A A . 10 MET CE 1 1 13 1938 1 1 10 MET CG C 2.471 -4.610 3.159 1.00 . A A . 10 MET CG 1 1 13 1939 1 1 10 MET H H 1.890 -5.406 0.433 1.00 . A A . 10 MET H 1 1 13 1940 1 1 10 MET HA H 2.444 -7.885 2.002 1.00 . A A . 10 MET HA 1 1 13 1941 1 1 10 MET HB2 H 2.757 -6.546 4.018 1.00 . A A . 10 MET HB2 1 1 13 1942 1 1 10 MET HB3 H 3.945 -6.104 2.778 1.00 . A A . 10 MET HB3 1 1 13 1943 1 1 10 MET HE1 H 2.716 -2.075 0.408 1.00 . A A . 10 MET HE1 1 1 13 1944 1 1 10 MET HE2 H 1.512 -2.251 1.707 1.00 . A A . 10 MET HE2 1 1 13 1945 1 1 10 MET HE3 H 1.740 -3.559 0.522 1.00 . A A . 10 MET HE3 1 1 13 1946 1 1 10 MET HG2 H 1.434 -4.519 2.837 1.00 . A A . 10 MET HG2 1 1 13 1947 1 1 10 MET HG3 H 2.547 -4.300 4.201 1.00 . A A . 10 MET HG3 1 1 13 1948 1 1 10 MET N N 2.317 -6.290 0.672 1.00 . A A . 10 MET N 1 1 13 1949 1 1 10 MET O O 0.030 -7.879 2.668 1.00 . A A . 10 MET O 1 1 13 1950 1 1 10 MET SD S 3.486 -3.516 2.148 1.00 . A A . 10 MET SD 1 1 14 1951 1 1 1 GLY C C 7.322 4.885 -1.743 1.00 . A A . 1 GLY C 1 1 14 1952 1 1 1 GLY CA C 8.413 4.200 -0.944 1.00 . A A . 1 GLY CA 1 1 14 1953 1 1 1 GLY H1 H 9.880 4.626 0.387 1.00 . A A . 1 GLY H1 1 1 14 1954 1 1 1 GLY H2 H 9.604 5.822 -0.715 1.00 . A A . 1 GLY H2 1 1 14 1955 1 1 1 GLY H3 H 8.546 5.586 0.527 1.00 . A A . 1 GLY H3 1 1 14 1956 1 1 1 GLY HA2 H 9.097 3.709 -1.636 1.00 . A A . 1 GLY HA2 1 1 14 1957 1 1 1 GLY HA3 H 7.960 3.446 -0.300 1.00 . A A . 1 GLY HA3 1 1 14 1958 1 1 1 GLY N N 9.168 5.129 -0.124 1.00 . A A . 1 GLY N 1 1 14 1959 1 1 1 GLY O O 7.601 5.751 -2.570 1.00 . A A . 1 GLY O 1 1 14 1960 1 1 2 ASN C C 3.771 5.307 -1.248 1.00 . A A . 2 ASN C 1 1 14 1961 1 1 2 ASN CA C 4.939 5.073 -2.201 1.00 . A A . 2 ASN CA 1 1 14 1962 1 1 2 ASN CB C 4.502 4.158 -3.348 1.00 . A A . 2 ASN CB 1 1 14 1963 1 1 2 ASN CG C 5.439 4.233 -4.536 1.00 . A A . 2 ASN CG 1 1 14 1964 1 1 2 ASN H H 5.914 3.774 -0.804 1.00 . A A . 2 ASN H 1 1 14 1965 1 1 2 ASN HA H 5.243 6.033 -2.619 1.00 . A A . 2 ASN HA 1 1 14 1966 1 1 2 ASN HB2 H 4.478 3.130 -2.986 1.00 . A A . 2 ASN HB2 1 1 14 1967 1 1 2 ASN HB3 H 3.500 4.445 -3.668 1.00 . A A . 2 ASN HB3 1 1 14 1968 1 1 2 ASN HD21 H 5.914 2.269 -4.327 1.00 . A A . 2 ASN HD21 1 1 14 1969 1 1 2 ASN HD22 H 6.708 3.100 -5.645 1.00 . A A . 2 ASN HD22 1 1 14 1970 1 1 2 ASN N N 6.077 4.492 -1.496 1.00 . A A . 2 ASN N 1 1 14 1971 1 1 2 ASN ND2 N 6.071 3.111 -4.862 1.00 . A A . 2 ASN ND2 1 1 14 1972 1 1 2 ASN O O 3.716 4.729 -0.162 1.00 . A A . 2 ASN O 1 1 14 1973 1 1 2 ASN OD1 O 5.594 5.286 -5.155 1.00 . A A . 2 ASN OD1 1 1 14 1974 1 1 3 HIS C C 0.644 5.342 -0.916 1.00 . A A . 3 HIS C 1 1 14 1975 1 1 3 HIS CA C 1.670 6.468 -0.847 1.00 . A A . 3 HIS CA 1 1 14 1976 1 1 3 HIS CB C 1.034 7.779 -1.305 1.00 . A A . 3 HIS CB 1 1 14 1977 1 1 3 HIS CD2 C -0.640 7.673 0.678 1.00 . A A . 3 HIS CD2 1 1 14 1978 1 1 3 HIS CE1 C -1.758 9.500 0.224 1.00 . A A . 3 HIS CE1 1 1 14 1979 1 1 3 HIS CG C -0.112 8.237 -0.445 1.00 . A A . 3 HIS CG 1 1 14 1980 1 1 3 HIS H H 2.941 6.601 -2.564 1.00 . A A . 3 HIS H 1 1 14 1981 1 1 3 HIS HA H 1.990 6.582 0.189 1.00 . A A . 3 HIS HA 1 1 14 1982 1 1 3 HIS HB2 H 1.801 8.554 -1.295 1.00 . A A . 3 HIS HB2 1 1 14 1983 1 1 3 HIS HB3 H 0.676 7.655 -2.327 1.00 . A A . 3 HIS HB3 1 1 14 1984 1 1 3 HIS HD2 H -0.308 6.764 1.157 1.00 . A A . 3 HIS HD2 1 1 14 1985 1 1 3 HIS HE1 H -2.478 10.303 0.283 1.00 . A A . 3 HIS HE1 1 1 14 1986 1 1 3 HIS HE2 H -2.274 8.338 1.892 1.00 . A A . 3 HIS HE2 1 1 14 1987 1 1 3 HIS N N 2.838 6.158 -1.662 1.00 . A A . 3 HIS N 1 1 14 1988 1 1 3 HIS ND1 N -0.831 9.389 -0.716 1.00 . A A . 3 HIS ND1 1 1 14 1989 1 1 3 HIS NE2 N -1.681 8.485 1.088 1.00 . A A . 3 HIS NE2 1 1 14 1990 1 1 3 HIS O O 0.446 4.610 0.054 1.00 . A A . 3 HIS O 1 1 14 1991 1 1 4 TRP C C -0.359 2.844 -2.634 1.00 . A A . 4 TRP C 1 1 14 1992 1 1 4 TRP CA C -1.011 4.171 -2.262 1.00 . A A . 4 TRP CA 1 1 14 1993 1 1 4 TRP CB C -2.002 4.588 -3.350 1.00 . A A . 4 TRP CB 1 1 14 1994 1 1 4 TRP CD1 C -0.226 4.676 -5.196 1.00 . A A . 4 TRP CD1 1 1 14 1995 1 1 4 TRP CD2 C -2.197 3.842 -5.853 1.00 . A A . 4 TRP CD2 1 1 14 1996 1 1 4 TRP CE2 C -1.317 3.835 -6.953 1.00 . A A . 4 TRP CE2 1 1 14 1997 1 1 4 TRP CE3 C -3.497 3.361 -6.029 1.00 . A A . 4 TRP CE3 1 1 14 1998 1 1 4 TRP CG C -1.479 4.384 -4.740 1.00 . A A . 4 TRP CG 1 1 14 1999 1 1 4 TRP CH2 C -2.976 2.902 -8.351 1.00 . A A . 4 TRP CH2 1 1 14 2000 1 1 4 TRP CZ2 C -1.697 3.367 -8.208 1.00 . A A . 4 TRP CZ2 1 1 14 2001 1 1 4 TRP CZ3 C -3.873 2.897 -7.275 1.00 . A A . 4 TRP CZ3 1 1 14 2002 1 1 4 TRP H H 0.203 5.842 -2.826 1.00 . A A . 4 TRP H 1 1 14 2003 1 1 4 TRP HA H -1.557 4.039 -1.328 1.00 . A A . 4 TRP HA 1 1 14 2004 1 1 4 TRP HB2 H -2.918 4.010 -3.231 1.00 . A A . 4 TRP HB2 1 1 14 2005 1 1 4 TRP HB3 H -2.234 5.645 -3.220 1.00 . A A . 4 TRP HB3 1 1 14 2006 1 1 4 TRP HD1 H 0.567 5.102 -4.599 1.00 . A A . 4 TRP HD1 1 1 14 2007 1 1 4 TRP HE1 H 0.704 4.468 -7.096 1.00 . A A . 4 TRP HE1 1 1 14 2008 1 1 4 TRP HE3 H -4.196 3.352 -5.206 1.00 . A A . 4 TRP HE3 1 1 14 2009 1 1 4 TRP HH2 H -3.300 2.532 -9.312 1.00 . A A . 4 TRP HH2 1 1 14 2010 1 1 4 TRP HZ2 H -1.007 3.371 -9.039 1.00 . A A . 4 TRP HZ2 1 1 14 2011 1 1 4 TRP HZ3 H -4.876 2.524 -7.422 1.00 . A A . 4 TRP HZ3 1 1 14 2012 1 1 4 TRP N N -0.005 5.209 -2.067 1.00 . A A . 4 TRP N 1 1 14 2013 1 1 4 TRP NE1 N -0.121 4.349 -6.526 1.00 . A A . 4 TRP NE1 1 1 14 2014 1 1 4 TRP O O 0.857 2.689 -2.530 1.00 . A A . 4 TRP O 1 1 14 2015 1 1 5 ALA C C -0.087 -0.164 -2.259 1.00 . A A . 5 ALA C 1 1 14 2016 1 1 5 ALA CA C -0.678 0.575 -3.455 1.00 . A A . 5 ALA CA 1 1 14 2017 1 1 5 ALA CB C 0.360 0.711 -4.560 1.00 . A A . 5 ALA CB 1 1 14 2018 1 1 5 ALA H H -2.166 2.078 -3.126 1.00 . A A . 5 ALA H 1 1 14 2019 1 1 5 ALA HA H -1.514 -0.009 -3.840 1.00 . A A . 5 ALA HA 1 1 14 2020 1 1 5 ALA HB1 H 0.173 -0.038 -5.329 1.00 . A A . 5 ALA HB1 1 1 14 2021 1 1 5 ALA HB2 H 0.295 1.707 -4.999 1.00 . A A . 5 ALA HB2 1 1 14 2022 1 1 5 ALA HB3 H 1.356 0.562 -4.143 1.00 . A A . 5 ALA HB3 1 1 14 2023 1 1 5 ALA N N -1.176 1.889 -3.066 1.00 . A A . 5 ALA N 1 1 14 2024 1 1 5 ALA O O 0.867 -0.930 -2.400 1.00 . A A . 5 ALA O 1 1 14 2025 1 1 6 VAL C C -0.995 -1.832 0.440 1.00 . A A . 6 VAL C 1 1 14 2026 1 1 6 VAL CA C -0.190 -0.574 0.139 1.00 . A A . 6 VAL CA 1 1 14 2027 1 1 6 VAL CB C -0.275 0.380 1.343 1.00 . A A . 6 VAL CB 1 1 14 2028 1 1 6 VAL CG1 C 0.514 1.652 1.077 1.00 . A A . 6 VAL CG1 1 1 14 2029 1 1 6 VAL CG2 C -1.726 0.700 1.667 1.00 . A A . 6 VAL CG2 1 1 14 2030 1 1 6 VAL H H -1.437 0.714 -1.034 1.00 . A A . 6 VAL H 1 1 14 2031 1 1 6 VAL HA H 0.853 -0.859 -0.001 1.00 . A A . 6 VAL HA 1 1 14 2032 1 1 6 VAL HB H 0.165 -0.120 2.206 1.00 . A A . 6 VAL HB 1 1 14 2033 1 1 6 VAL HG11 H 1.549 1.397 0.848 1.00 . A A . 6 VAL HG11 1 1 14 2034 1 1 6 VAL HG12 H 0.075 2.182 0.232 1.00 . A A . 6 VAL HG12 1 1 14 2035 1 1 6 VAL HG13 H 0.484 2.290 1.961 1.00 . A A . 6 VAL HG13 1 1 14 2036 1 1 6 VAL HG21 H -1.768 1.376 2.521 1.00 . A A . 6 VAL HG21 1 1 14 2037 1 1 6 VAL HG22 H -2.194 1.175 0.805 1.00 . A A . 6 VAL HG22 1 1 14 2038 1 1 6 VAL HG23 H -2.256 -0.222 1.907 1.00 . A A . 6 VAL HG23 1 1 14 2039 1 1 6 VAL N N -0.659 0.072 -1.083 1.00 . A A . 6 VAL N 1 1 14 2040 1 1 6 VAL O O -1.067 -2.275 1.586 1.00 . A A . 6 VAL O 1 1 14 2041 1 1 7 GLY C C -2.070 -4.670 -1.454 1.00 . A A . 7 GLY C 1 1 14 2042 1 1 7 GLY CA C -2.392 -3.607 -0.422 1.00 . A A . 7 GLY CA 1 1 14 2043 1 1 7 GLY H H -1.507 -1.998 -1.516 1.00 . A A . 7 GLY H 1 1 14 2044 1 1 7 GLY HA2 H -2.207 -4.012 0.573 1.00 . A A . 7 GLY HA2 1 1 14 2045 1 1 7 GLY HA3 H -3.447 -3.346 -0.507 1.00 . A A . 7 GLY HA3 1 1 14 2046 1 1 7 GLY N N -1.600 -2.405 -0.596 1.00 . A A . 7 GLY N 1 1 14 2047 1 1 7 GLY O O -2.963 -5.370 -1.933 1.00 . A A . 7 GLY O 1 1 14 2048 1 1 8 HIS C C 0.934 -6.453 -2.335 1.00 . A A . 8 HIS C 1 1 14 2049 1 1 8 HIS CA C -0.355 -5.772 -2.784 1.00 . A A . 8 HIS CA 1 1 14 2050 1 1 8 HIS CB C -0.144 -5.104 -4.145 1.00 . A A . 8 HIS CB 1 1 14 2051 1 1 8 HIS CD2 C -1.207 -2.843 -4.856 1.00 . A A . 8 HIS CD2 1 1 14 2052 1 1 8 HIS CE1 C -3.291 -3.508 -4.953 1.00 . A A . 8 HIS CE1 1 1 14 2053 1 1 8 HIS CG C -1.256 -4.165 -4.526 1.00 . A A . 8 HIS CG 1 1 14 2054 1 1 8 HIS H H -0.107 -4.182 -1.371 1.00 . A A . 8 HIS H 1 1 14 2055 1 1 8 HIS HA H -1.131 -6.530 -2.886 1.00 . A A . 8 HIS HA 1 1 14 2056 1 1 8 HIS HB2 H 0.789 -4.541 -4.113 1.00 . A A . 8 HIS HB2 1 1 14 2057 1 1 8 HIS HB3 H -0.061 -5.878 -4.908 1.00 . A A . 8 HIS HB3 1 1 14 2058 1 1 8 HIS HD2 H -0.323 -2.225 -4.900 1.00 . A A . 8 HIS HD2 1 1 14 2059 1 1 8 HIS HE1 H -4.362 -3.507 -5.089 1.00 . A A . 8 HIS HE1 1 1 14 2060 1 1 8 HIS HE2 H -2.801 -1.517 -5.398 1.00 . A A . 8 HIS HE2 1 1 14 2061 1 1 8 HIS N N -0.792 -4.788 -1.800 1.00 . A A . 8 HIS N 1 1 14 2062 1 1 8 HIS ND1 N -2.579 -4.567 -4.593 1.00 . A A . 8 HIS ND1 1 1 14 2063 1 1 8 HIS NE2 N -2.504 -2.443 -5.124 1.00 . A A . 8 HIS NE2 1 1 14 2064 1 1 8 HIS O O 1.049 -7.679 -2.380 1.00 . A A . 8 HIS O 1 1 14 2065 1 1 9 LEU C C 3.073 -6.724 -0.025 1.00 . A A . 9 LEU C 1 1 14 2066 1 1 9 LEU CA C 3.183 -6.178 -1.445 1.00 . A A . 9 LEU CA 1 1 14 2067 1 1 9 LEU CB C 4.255 -5.088 -1.504 1.00 . A A . 9 LEU CB 1 1 14 2068 1 1 9 LEU CD1 C 5.528 -5.145 -3.662 1.00 . A A . 9 LEU CD1 1 1 14 2069 1 1 9 LEU CD2 C 6.742 -4.773 -1.507 1.00 . A A . 9 LEU CD2 1 1 14 2070 1 1 9 LEU CG C 5.571 -5.476 -2.178 1.00 . A A . 9 LEU CG 1 1 14 2071 1 1 9 LEU H H 1.747 -4.654 -1.891 1.00 . A A . 9 LEU H 1 1 14 2072 1 1 9 LEU HA H 3.480 -6.992 -2.107 1.00 . A A . 9 LEU HA 1 1 14 2073 1 1 9 LEU HB2 H 3.839 -4.241 -2.049 1.00 . A A . 9 LEU HB2 1 1 14 2074 1 1 9 LEU HB3 H 4.473 -4.767 -0.486 1.00 . A A . 9 LEU HB3 1 1 14 2075 1 1 9 LEU HD11 H 4.684 -5.657 -4.125 1.00 . A A . 9 LEU HD11 1 1 14 2076 1 1 9 LEU HD12 H 5.415 -4.069 -3.791 1.00 . A A . 9 LEU HD12 1 1 14 2077 1 1 9 LEU HD13 H 6.454 -5.472 -4.134 1.00 . A A . 9 LEU HD13 1 1 14 2078 1 1 9 LEU HD21 H 6.756 -5.022 -0.446 1.00 . A A . 9 LEU HD21 1 1 14 2079 1 1 9 LEU HD22 H 6.635 -3.695 -1.626 1.00 . A A . 9 LEU HD22 1 1 14 2080 1 1 9 LEU HD23 H 7.674 -5.098 -1.969 1.00 . A A . 9 LEU HD23 1 1 14 2081 1 1 9 LEU HG H 5.708 -6.552 -2.070 1.00 . A A . 9 LEU HG 1 1 14 2082 1 1 9 LEU N N 1.902 -5.652 -1.903 1.00 . A A . 9 LEU N 1 1 14 2083 1 1 9 LEU O O 3.825 -7.614 0.369 1.00 . A A . 9 LEU O 1 1 14 2084 1 1 10 MET C C 0.485 -7.097 2.319 1.00 . A A . 10 MET C 1 1 14 2085 1 1 10 MET CA C 1.919 -6.618 2.115 1.00 . A A . 10 MET CA 1 1 14 2086 1 1 10 MET CB C 2.232 -5.478 3.086 1.00 . A A . 10 MET CB 1 1 14 2087 1 1 10 MET CE C 2.714 -2.554 0.901 1.00 . A A . 10 MET CE 1 1 14 2088 1 1 10 MET CG C 1.487 -4.191 2.771 1.00 . A A . 10 MET CG 1 1 14 2089 1 1 10 MET H H 1.545 -5.453 0.358 1.00 . A A . 10 MET H 1 1 14 2090 1 1 10 MET HA H 2.595 -7.447 2.324 1.00 . A A . 10 MET HA 1 1 14 2091 1 1 10 MET HB2 H 1.972 -5.796 4.096 1.00 . A A . 10 MET HB2 1 1 14 2092 1 1 10 MET HB3 H 3.302 -5.275 3.046 1.00 . A A . 10 MET HB3 1 1 14 2093 1 1 10 MET HE1 H 3.535 -3.163 0.523 1.00 . A A . 10 MET HE1 1 1 14 2094 1 1 10 MET HE2 H 2.905 -1.506 0.671 1.00 . A A . 10 MET HE2 1 1 14 2095 1 1 10 MET HE3 H 1.782 -2.866 0.429 1.00 . A A . 10 MET HE3 1 1 14 2096 1 1 10 MET HG2 H 0.971 -4.305 1.818 1.00 . A A . 10 MET HG2 1 1 14 2097 1 1 10 MET HG3 H 0.749 -4.014 3.554 1.00 . A A . 10 MET HG3 1 1 14 2098 1 1 10 MET N N 2.130 -6.183 0.739 1.00 . A A . 10 MET N 1 1 14 2099 1 1 10 MET O O 0.195 -7.836 3.262 1.00 . A A . 10 MET O 1 1 14 2100 1 1 10 MET SD S 2.583 -2.762 2.676 1.00 . A A . 10 MET SD 1 1 15 2101 1 1 1 GLY C C 5.458 8.431 -4.988 1.00 . A A . 1 GLY C 1 1 15 2102 1 1 1 GLY CA C 6.834 9.056 -4.879 1.00 . A A . 1 GLY CA 1 1 15 2103 1 1 1 GLY H1 H 7.724 10.530 -3.810 1.00 . A A . 1 GLY H1 1 1 15 2104 1 1 1 GLY H2 H 6.119 10.338 -3.482 1.00 . A A . 1 GLY H2 1 1 15 2105 1 1 1 GLY H3 H 7.216 9.253 -2.899 1.00 . A A . 1 GLY H3 1 1 15 2106 1 1 1 GLY HA2 H 6.998 9.695 -5.747 1.00 . A A . 1 GLY HA2 1 1 15 2107 1 1 1 GLY HA3 H 7.584 8.265 -4.875 1.00 . A A . 1 GLY HA3 1 1 15 2108 1 1 1 GLY N N 6.985 9.855 -3.676 1.00 . A A . 1 GLY N 1 1 15 2109 1 1 1 GLY O O 4.790 8.561 -6.013 1.00 . A A . 1 GLY O 1 1 15 2110 1 1 2 ASN C C 3.430 6.512 -2.536 1.00 . A A . 2 ASN C 1 1 15 2111 1 1 2 ASN CA C 3.729 7.095 -3.914 1.00 . A A . 2 ASN CA 1 1 15 2112 1 1 2 ASN CB C 3.673 5.990 -4.971 1.00 . A A . 2 ASN CB 1 1 15 2113 1 1 2 ASN CG C 4.611 4.840 -4.655 1.00 . A A . 2 ASN CG 1 1 15 2114 1 1 2 ASN H H 5.630 7.675 -3.118 1.00 . A A . 2 ASN H 1 1 15 2115 1 1 2 ASN HA H 2.967 7.839 -4.149 1.00 . A A . 2 ASN HA 1 1 15 2116 1 1 2 ASN HB2 H 2.654 5.606 -5.023 1.00 . A A . 2 ASN HB2 1 1 15 2117 1 1 2 ASN HB3 H 3.943 6.412 -5.939 1.00 . A A . 2 ASN HB3 1 1 15 2118 1 1 2 ASN HD21 H 3.400 3.539 -5.638 1.00 . A A . 2 ASN HD21 1 1 15 2119 1 1 2 ASN HD22 H 4.841 2.842 -4.933 1.00 . A A . 2 ASN HD22 1 1 15 2120 1 1 2 ASN N N 5.034 7.746 -3.930 1.00 . A A . 2 ASN N 1 1 15 2121 1 1 2 ASN ND2 N 4.256 3.645 -5.112 1.00 . A A . 2 ASN ND2 1 1 15 2122 1 1 2 ASN O O 4.260 5.815 -1.952 1.00 . A A . 2 ASN O 1 1 15 2123 1 1 2 ASN OD1 O 5.643 5.026 -4.009 1.00 . A A . 2 ASN OD1 1 1 15 2124 1 1 3 HIS C C 0.816 5.172 -0.856 1.00 . A A . 3 HIS C 1 1 15 2125 1 1 3 HIS CA C 1.828 6.305 -0.714 1.00 . A A . 3 HIS CA 1 1 15 2126 1 1 3 HIS CB C 1.231 7.436 0.119 1.00 . A A . 3 HIS CB 1 1 15 2127 1 1 3 HIS CD2 C 3.476 7.838 1.361 1.00 . A A . 3 HIS CD2 1 1 15 2128 1 1 3 HIS CE1 C 3.113 9.909 1.974 1.00 . A A . 3 HIS CE1 1 1 15 2129 1 1 3 HIS CG C 2.247 8.215 0.909 1.00 . A A . 3 HIS CG 1 1 15 2130 1 1 3 HIS H H 1.600 7.380 -2.552 1.00 . A A . 3 HIS H 1 1 15 2131 1 1 3 HIS HA H 2.708 5.921 -0.198 1.00 . A A . 3 HIS HA 1 1 15 2132 1 1 3 HIS HB2 H 0.706 8.121 -0.547 1.00 . A A . 3 HIS HB2 1 1 15 2133 1 1 3 HIS HB3 H 0.512 7.006 0.816 1.00 . A A . 3 HIS HB3 1 1 15 2134 1 1 3 HIS HD2 H 3.944 6.875 1.220 1.00 . A A . 3 HIS HD2 1 1 15 2135 1 1 3 HIS HE1 H 3.247 10.887 2.411 1.00 . A A . 3 HIS HE1 1 1 15 2136 1 1 3 HIS HE2 H 4.913 8.960 2.487 1.00 . A A . 3 HIS HE2 1 1 15 2137 1 1 3 HIS N N 2.237 6.802 -2.023 1.00 . A A . 3 HIS N 1 1 15 2138 1 1 3 HIS ND1 N 2.035 9.525 1.305 1.00 . A A . 3 HIS ND1 1 1 15 2139 1 1 3 HIS NE2 N 4.011 8.922 2.034 1.00 . A A . 3 HIS NE2 1 1 15 2140 1 1 3 HIS O O 0.698 4.318 0.024 1.00 . A A . 3 HIS O 1 1 15 2141 1 1 4 TRP C C -0.253 2.816 -2.583 1.00 . A A . 4 TRP C 1 1 15 2142 1 1 4 TRP CA C -0.913 4.142 -2.223 1.00 . A A . 4 TRP CA 1 1 15 2143 1 1 4 TRP CB C -1.849 4.582 -3.350 1.00 . A A . 4 TRP CB 1 1 15 2144 1 1 4 TRP CD1 C 0.011 4.679 -5.111 1.00 . A A . 4 TRP CD1 1 1 15 2145 1 1 4 TRP CD2 C -1.934 3.866 -5.869 1.00 . A A . 4 TRP CD2 1 1 15 2146 1 1 4 TRP CE2 C -1.004 3.867 -6.927 1.00 . A A . 4 TRP CE2 1 1 15 2147 1 1 4 TRP CE3 C -3.228 3.397 -6.110 1.00 . A A . 4 TRP CE3 1 1 15 2148 1 1 4 TRP CG C -1.264 4.390 -4.717 1.00 . A A . 4 TRP CG 1 1 15 2149 1 1 4 TRP CH2 C -2.603 2.963 -8.412 1.00 . A A . 4 TRP CH2 1 1 15 2150 1 1 4 TRP CZ2 C -1.329 3.416 -8.204 1.00 . A A . 4 TRP CZ2 1 1 15 2151 1 1 4 TRP CZ3 C -3.549 2.951 -7.378 1.00 . A A . 4 TRP CZ3 1 1 15 2152 1 1 4 TRP H H 0.234 5.898 -2.652 1.00 . A A . 4 TRP H 1 1 15 2153 1 1 4 TRP HA H -1.503 4.001 -1.318 1.00 . A A . 4 TRP HA 1 1 15 2154 1 1 4 TRP HB2 H -2.768 4.000 -3.283 1.00 . A A . 4 TRP HB2 1 1 15 2155 1 1 4 TRP HB3 H -2.090 5.637 -3.216 1.00 . A A . 4 TRP HB3 1 1 15 2156 1 1 4 TRP HD1 H 0.778 5.092 -4.473 1.00 . A A . 4 TRP HD1 1 1 15 2157 1 1 4 TRP HE1 H 1.025 4.487 -6.970 1.00 . A A . 4 TRP HE1 1 1 15 2158 1 1 4 TRP HE3 H -3.964 3.383 -5.320 1.00 . A A . 4 TRP HE3 1 1 15 2159 1 1 4 TRP HH2 H -2.885 2.608 -9.392 1.00 . A A . 4 TRP HH2 1 1 15 2160 1 1 4 TRP HZ2 H -0.601 3.424 -9.002 1.00 . A A . 4 TRP HZ2 1 1 15 2161 1 1 4 TRP HZ3 H -4.546 2.587 -7.576 1.00 . A A . 4 TRP HZ3 1 1 15 2162 1 1 4 TRP N N 0.089 5.170 -1.967 1.00 . A A . 4 TRP N 1 1 15 2163 1 1 4 TRP NE1 N 0.174 4.367 -6.439 1.00 . A A . 4 TRP NE1 1 1 15 2164 1 1 4 TRP O O 0.956 2.652 -2.427 1.00 . A A . 4 TRP O 1 1 15 2165 1 1 5 ALA C C -0.014 -0.197 -2.236 1.00 . A A . 5 ALA C 1 1 15 2166 1 1 5 ALA CA C -0.548 0.560 -3.448 1.00 . A A . 5 ALA CA 1 1 15 2167 1 1 5 ALA CB C 0.538 0.702 -4.504 1.00 . A A . 5 ALA CB 1 1 15 2168 1 1 5 ALA H H -2.040 2.068 -3.166 1.00 . A A . 5 ALA H 1 1 15 2169 1 1 5 ALA HA H -1.370 -0.014 -3.876 1.00 . A A . 5 ALA HA 1 1 15 2170 1 1 5 ALA HB1 H 0.380 -0.036 -5.290 1.00 . A A . 5 ALA HB1 1 1 15 2171 1 1 5 ALA HB2 H 0.499 1.703 -4.933 1.00 . A A . 5 ALA HB2 1 1 15 2172 1 1 5 ALA HB3 H 1.514 0.541 -4.046 1.00 . A A . 5 ALA HB3 1 1 15 2173 1 1 5 ALA N N -1.055 1.872 -3.064 1.00 . A A . 5 ALA N 1 1 15 2174 1 1 5 ALA O O 0.922 -0.989 -2.350 1.00 . A A . 5 ALA O 1 1 15 2175 1 1 6 VAL C C -1.048 -1.846 0.428 1.00 . A A . 6 VAL C 1 1 15 2176 1 1 6 VAL CA C -0.200 -0.610 0.157 1.00 . A A . 6 VAL CA 1 1 15 2177 1 1 6 VAL CB C -0.297 0.343 1.360 1.00 . A A . 6 VAL CB 1 1 15 2178 1 1 6 VAL CG1 C 0.531 1.597 1.121 1.00 . A A . 6 VAL CG1 1 1 15 2179 1 1 6 VAL CG2 C -1.750 0.700 1.643 1.00 . A A . 6 VAL CG2 1 1 15 2180 1 1 6 VAL H H -1.378 0.713 -1.050 1.00 . A A . 6 VAL H 1 1 15 2181 1 1 6 VAL HA H 0.839 -0.922 0.048 1.00 . A A . 6 VAL HA 1 1 15 2182 1 1 6 VAL HB H 0.105 -0.169 2.234 1.00 . A A . 6 VAL HB 1 1 15 2183 1 1 6 VAL HG11 H 1.565 1.317 0.921 1.00 . A A . 6 VAL HG11 1 1 15 2184 1 1 6 VAL HG12 H 0.129 2.140 0.265 1.00 . A A . 6 VAL HG12 1 1 15 2185 1 1 6 VAL HG13 H 0.491 2.233 2.005 1.00 . A A . 6 VAL HG13 1 1 15 2186 1 1 6 VAL HG21 H -2.323 -0.212 1.811 1.00 . A A . 6 VAL HG21 1 1 15 2187 1 1 6 VAL HG22 H -2.165 1.237 0.790 1.00 . A A . 6 VAL HG22 1 1 15 2188 1 1 6 VAL HG23 H -1.803 1.331 2.530 1.00 . A A . 6 VAL HG23 1 1 15 2189 1 1 6 VAL N N -0.615 0.051 -1.078 1.00 . A A . 6 VAL N 1 1 15 2190 1 1 6 VAL O O -1.171 -2.286 1.571 1.00 . A A . 6 VAL O 1 1 15 2191 1 1 7 GLY C C -2.129 -4.656 -1.502 1.00 . A A . 7 GLY C 1 1 15 2192 1 1 7 GLY CA C -2.460 -3.585 -0.481 1.00 . A A . 7 GLY CA 1 1 15 2193 1 1 7 GLY H H -1.496 -1.999 -1.544 1.00 . A A . 7 GLY H 1 1 15 2194 1 1 7 GLY HA2 H -2.320 -3.994 0.520 1.00 . A A . 7 GLY HA2 1 1 15 2195 1 1 7 GLY HA3 H -3.504 -3.297 -0.603 1.00 . A A . 7 GLY HA3 1 1 15 2196 1 1 7 GLY N N -1.631 -2.403 -0.628 1.00 . A A . 7 GLY N 1 1 15 2197 1 1 7 GLY O O -3.023 -5.334 -2.012 1.00 . A A . 7 GLY O 1 1 15 2198 1 1 8 HIS C C 0.856 -6.518 -2.275 1.00 . A A . 8 HIS C 1 1 15 2199 1 1 8 HIS CA C -0.397 -5.804 -2.770 1.00 . A A . 8 HIS CA 1 1 15 2200 1 1 8 HIS CB C -0.121 -5.143 -4.121 1.00 . A A . 8 HIS CB 1 1 15 2201 1 1 8 HIS CD2 C -1.099 -2.856 -4.870 1.00 . A A . 8 HIS CD2 1 1 15 2202 1 1 8 HIS CE1 C -3.194 -3.466 -5.042 1.00 . A A . 8 HIS CE1 1 1 15 2203 1 1 8 HIS CG C -1.194 -4.175 -4.542 1.00 . A A . 8 HIS CG 1 1 15 2204 1 1 8 HIS H H -0.159 -4.220 -1.349 1.00 . A A . 8 HIS H 1 1 15 2205 1 1 8 HIS HA H -1.189 -6.542 -2.900 1.00 . A A . 8 HIS HA 1 1 15 2206 1 1 8 HIS HB2 H 0.824 -4.604 -4.055 1.00 . A A . 8 HIS HB2 1 1 15 2207 1 1 8 HIS HB3 H -0.031 -5.920 -4.880 1.00 . A A . 8 HIS HB3 1 1 15 2208 1 1 8 HIS HD2 H -0.198 -2.261 -4.883 1.00 . A A . 8 HIS HD2 1 1 15 2209 1 1 8 HIS HE1 H -4.259 -3.437 -5.218 1.00 . A A . 8 HIS HE1 1 1 15 2210 1 1 8 HIS HE2 H -2.639 -1.490 -5.468 1.00 . A A . 8 HIS HE2 1 1 15 2211 1 1 8 HIS N N -0.844 -4.808 -1.802 1.00 . A A . 8 HIS N 1 1 15 2212 1 1 8 HIS ND1 N -2.524 -4.544 -4.656 1.00 . A A . 8 HIS ND1 1 1 15 2213 1 1 8 HIS NE2 N -2.376 -2.423 -5.184 1.00 . A A . 8 HIS NE2 1 1 15 2214 1 1 8 HIS O O 0.899 -7.748 -2.210 1.00 . A A . 8 HIS O 1 1 15 2215 1 1 9 LEU C C 2.942 -6.959 -0.078 1.00 . A A . 9 LEU C 1 1 15 2216 1 1 9 LEU CA C 3.132 -6.300 -1.440 1.00 . A A . 9 LEU CA 1 1 15 2217 1 1 9 LEU CB C 4.198 -5.206 -1.345 1.00 . A A . 9 LEU CB 1 1 15 2218 1 1 9 LEU CD1 C 5.643 -5.075 -3.388 1.00 . A A . 9 LEU CD1 1 1 15 2219 1 1 9 LEU CD2 C 6.677 -4.922 -1.116 1.00 . A A . 9 LEU CD2 1 1 15 2220 1 1 9 LEU CG C 5.563 -5.544 -1.943 1.00 . A A . 9 LEU CG 1 1 15 2221 1 1 9 LEU H H 1.780 -4.738 -2.004 1.00 . A A . 9 LEU H 1 1 15 2222 1 1 9 LEU HA H 3.473 -7.056 -2.147 1.00 . A A . 9 LEU HA 1 1 15 2223 1 1 9 LEU HB2 H 3.817 -4.325 -1.861 1.00 . A A . 9 LEU HB2 1 1 15 2224 1 1 9 LEU HB3 H 4.337 -4.954 -0.294 1.00 . A A . 9 LEU HB3 1 1 15 2225 1 1 9 LEU HD11 H 4.838 -5.531 -3.964 1.00 . A A . 9 LEU HD11 1 1 15 2226 1 1 9 LEU HD12 H 5.545 -3.990 -3.423 1.00 . A A . 9 LEU HD12 1 1 15 2227 1 1 9 LEU HD13 H 6.603 -5.367 -3.812 1.00 . A A . 9 LEU HD13 1 1 15 2228 1 1 9 LEU HD21 H 6.603 -5.270 -0.086 1.00 . A A . 9 LEU HD21 1 1 15 2229 1 1 9 LEU HD22 H 7.642 -5.214 -1.529 1.00 . A A . 9 LEU HD22 1 1 15 2230 1 1 9 LEU HD23 H 6.585 -3.836 -1.141 1.00 . A A . 9 LEU HD23 1 1 15 2231 1 1 9 LEU HG H 5.687 -6.627 -1.926 1.00 . A A . 9 LEU HG 1 1 15 2232 1 1 9 LEU N N 1.876 -5.741 -1.928 1.00 . A A . 9 LEU N 1 1 15 2233 1 1 9 LEU O O 3.476 -8.037 0.181 1.00 . A A . 9 LEU O 1 1 15 2234 1 1 10 MET C C 0.424 -6.753 2.454 1.00 . A A . 10 MET C 1 1 15 2235 1 1 10 MET CA C 1.911 -6.829 2.124 1.00 . A A . 10 MET CA 1 1 15 2236 1 1 10 MET CB C 2.718 -6.057 3.168 1.00 . A A . 10 MET CB 1 1 15 2237 1 1 10 MET CE C 2.298 -2.777 1.125 1.00 . A A . 10 MET CE 1 1 15 2238 1 1 10 MET CG C 2.372 -4.577 3.231 1.00 . A A . 10 MET CG 1 1 15 2239 1 1 10 MET H H 1.763 -5.424 0.516 1.00 . A A . 10 MET H 1 1 15 2240 1 1 10 MET HA H 2.219 -7.874 2.152 1.00 . A A . 10 MET HA 1 1 15 2241 1 1 10 MET HB2 H 2.540 -6.501 4.147 1.00 . A A . 10 MET HB2 1 1 15 2242 1 1 10 MET HB3 H 3.776 -6.154 2.926 1.00 . A A . 10 MET HB3 1 1 15 2243 1 1 10 MET HE1 H 2.828 -2.116 0.439 1.00 . A A . 10 MET HE1 1 1 15 2244 1 1 10 MET HE2 H 1.584 -2.197 1.710 1.00 . A A . 10 MET HE2 1 1 15 2245 1 1 10 MET HE3 H 1.766 -3.540 0.556 1.00 . A A . 10 MET HE3 1 1 15 2246 1 1 10 MET HG2 H 1.351 -4.442 2.875 1.00 . A A . 10 MET HG2 1 1 15 2247 1 1 10 MET HG3 H 2.432 -4.243 4.267 1.00 . A A . 10 MET HG3 1 1 15 2248 1 1 10 MET N N 2.174 -6.305 0.789 1.00 . A A . 10 MET N 1 1 15 2249 1 1 10 MET O O -0.037 -7.341 3.433 1.00 . A A . 10 MET O 1 1 15 2250 1 1 10 MET SD S 3.472 -3.563 2.225 1.00 . A A . 10 MET SD 1 1 16 2251 1 1 1 GLY C C 5.081 8.972 -4.167 1.00 . A A . 1 GLY C 1 1 16 2252 1 1 1 GLY CA C 6.487 9.537 -4.143 1.00 . A A . 1 GLY CA 1 1 16 2253 1 1 1 GLY H1 H 8.143 9.657 -5.303 1.00 . A A . 1 GLY H1 1 1 16 2254 1 1 1 GLY H2 H 6.728 9.675 -6.149 1.00 . A A . 1 GLY H2 1 1 16 2255 1 1 1 GLY H3 H 7.284 8.263 -5.501 1.00 . A A . 1 GLY H3 1 1 16 2256 1 1 1 GLY HA2 H 7.029 9.103 -3.303 1.00 . A A . 1 GLY HA2 1 1 16 2257 1 1 1 GLY HA3 H 6.428 10.617 -4.006 1.00 . A A . 1 GLY HA3 1 1 16 2258 1 1 1 GLY N N 7.216 9.262 -5.367 1.00 . A A . 1 GLY N 1 1 16 2259 1 1 1 GLY O O 4.113 9.705 -4.361 1.00 . A A . 1 GLY O 1 1 16 2260 1 1 2 ASN C C 3.363 6.397 -2.603 1.00 . A A . 2 ASN C 1 1 16 2261 1 1 2 ASN CA C 3.670 6.997 -3.973 1.00 . A A . 2 ASN CA 1 1 16 2262 1 1 2 ASN CB C 3.635 5.903 -5.041 1.00 . A A . 2 ASN CB 1 1 16 2263 1 1 2 ASN CG C 4.750 4.890 -4.867 1.00 . A A . 2 ASN CG 1 1 16 2264 1 1 2 ASN H H 5.802 7.114 -3.814 1.00 . A A . 2 ASN H 1 1 16 2265 1 1 2 ASN HA H 2.903 7.735 -4.208 1.00 . A A . 2 ASN HA 1 1 16 2266 1 1 2 ASN HB2 H 2.676 5.387 -4.989 1.00 . A A . 2 ASN HB2 1 1 16 2267 1 1 2 ASN HB3 H 3.735 6.368 -6.022 1.00 . A A . 2 ASN HB3 1 1 16 2268 1 1 2 ASN HD21 H 3.409 3.451 -4.362 1.00 . A A . 2 ASN HD21 1 1 16 2269 1 1 2 ASN HD22 H 5.084 2.948 -4.375 1.00 . A A . 2 ASN HD22 1 1 16 2270 1 1 2 ASN N N 4.968 7.662 -3.970 1.00 . A A . 2 ASN N 1 1 16 2271 1 1 2 ASN ND2 N 4.385 3.665 -4.506 1.00 . A A . 2 ASN ND2 1 1 16 2272 1 1 2 ASN O O 4.130 5.585 -2.084 1.00 . A A . 2 ASN O 1 1 16 2273 1 1 2 ASN OD1 O 5.926 5.204 -5.056 1.00 . A A . 2 ASN OD1 1 1 16 2274 1 1 3 HIS C C 0.818 5.168 -0.858 1.00 . A A . 3 HIS C 1 1 16 2275 1 1 3 HIS CA C 1.830 6.302 -0.716 1.00 . A A . 3 HIS CA 1 1 16 2276 1 1 3 HIS CB C 1.232 7.433 0.121 1.00 . A A . 3 HIS CB 1 1 16 2277 1 1 3 HIS CD2 C 3.477 7.836 1.360 1.00 . A A . 3 HIS CD2 1 1 16 2278 1 1 3 HIS CE1 C 3.113 9.906 1.974 1.00 . A A . 3 HIS CE1 1 1 16 2279 1 1 3 HIS CG C 2.247 8.212 0.909 1.00 . A A . 3 HIS CG 1 1 16 2280 1 1 3 HIS H H 1.651 7.471 -2.500 1.00 . A A . 3 HIS H 1 1 16 2281 1 1 3 HIS HA H 2.711 5.918 -0.201 1.00 . A A . 3 HIS HA 1 1 16 2282 1 1 3 HIS HB2 H 0.718 8.121 -0.550 1.00 . A A . 3 HIS HB2 1 1 16 2283 1 1 3 HIS HB3 H 0.504 7.009 0.812 1.00 . A A . 3 HIS HB3 1 1 16 2284 1 1 3 HIS HD2 H 3.945 6.873 1.219 1.00 . A A . 3 HIS HD2 1 1 16 2285 1 1 3 HIS HE1 H 3.246 10.884 2.411 1.00 . A A . 3 HIS HE1 1 1 16 2286 1 1 3 HIS HE2 H 4.916 8.960 2.484 1.00 . A A . 3 HIS HE2 1 1 16 2287 1 1 3 HIS N N 2.238 6.801 -2.023 1.00 . A A . 3 HIS N 1 1 16 2288 1 1 3 HIS ND1 N 2.035 9.522 1.307 1.00 . A A . 3 HIS ND1 1 1 16 2289 1 1 3 HIS NE2 N 4.013 8.921 2.033 1.00 . A A . 3 HIS NE2 1 1 16 2290 1 1 3 HIS O O 0.704 4.312 0.019 1.00 . A A . 3 HIS O 1 1 16 2291 1 1 4 TRP C C -0.254 2.816 -2.582 1.00 . A A . 4 TRP C 1 1 16 2292 1 1 4 TRP CA C -0.914 4.142 -2.223 1.00 . A A . 4 TRP CA 1 1 16 2293 1 1 4 TRP CB C -1.849 4.582 -3.351 1.00 . A A . 4 TRP CB 1 1 16 2294 1 1 4 TRP CD1 C 0.011 4.680 -5.110 1.00 . A A . 4 TRP CD1 1 1 16 2295 1 1 4 TRP CD2 C -1.933 3.867 -5.870 1.00 . A A . 4 TRP CD2 1 1 16 2296 1 1 4 TRP CE2 C -1.002 3.867 -6.927 1.00 . A A . 4 TRP CE2 1 1 16 2297 1 1 4 TRP CE3 C -3.226 3.398 -6.112 1.00 . A A . 4 TRP CE3 1 1 16 2298 1 1 4 TRP CG C -1.265 4.390 -4.717 1.00 . A A . 4 TRP CG 1 1 16 2299 1 1 4 TRP CH2 C -2.600 2.964 -8.412 1.00 . A A . 4 TRP CH2 1 1 16 2300 1 1 4 TRP CZ2 C -1.326 3.417 -8.204 1.00 . A A . 4 TRP CZ2 1 1 16 2301 1 1 4 TRP CZ3 C -3.547 2.951 -7.380 1.00 . A A . 4 TRP CZ3 1 1 16 2302 1 1 4 TRP H H 0.227 5.903 -2.647 1.00 . A A . 4 TRP H 1 1 16 2303 1 1 4 TRP HA H -1.505 4.001 -1.318 1.00 . A A . 4 TRP HA 1 1 16 2304 1 1 4 TRP HB2 H -2.769 4.001 -3.284 1.00 . A A . 4 TRP HB2 1 1 16 2305 1 1 4 TRP HB3 H -2.089 5.637 -3.217 1.00 . A A . 4 TRP HB3 1 1 16 2306 1 1 4 TRP HD1 H 0.777 5.093 -4.471 1.00 . A A . 4 TRP HD1 1 1 16 2307 1 1 4 TRP HE1 H 1.026 4.489 -6.968 1.00 . A A . 4 TRP HE1 1 1 16 2308 1 1 4 TRP HE3 H -3.962 3.385 -5.322 1.00 . A A . 4 TRP HE3 1 1 16 2309 1 1 4 TRP HH2 H -2.881 2.609 -9.392 1.00 . A A . 4 TRP HH2 1 1 16 2310 1 1 4 TRP HZ2 H -0.598 3.425 -9.002 1.00 . A A . 4 TRP HZ2 1 1 16 2311 1 1 4 TRP HZ3 H -4.544 2.586 -7.578 1.00 . A A . 4 TRP HZ3 1 1 16 2312 1 1 4 TRP N N 0.087 5.171 -1.966 1.00 . A A . 4 TRP N 1 1 16 2313 1 1 4 TRP NE1 N 0.175 4.368 -6.438 1.00 . A A . 4 TRP NE1 1 1 16 2314 1 1 4 TRP O O 0.956 2.652 -2.425 1.00 . A A . 4 TRP O 1 1 16 2315 1 1 5 ALA C C -0.014 -0.197 -2.236 1.00 . A A . 5 ALA C 1 1 16 2316 1 1 5 ALA CA C -0.547 0.560 -3.448 1.00 . A A . 5 ALA CA 1 1 16 2317 1 1 5 ALA CB C 0.540 0.703 -4.503 1.00 . A A . 5 ALA CB 1 1 16 2318 1 1 5 ALA H H -2.040 2.068 -3.167 1.00 . A A . 5 ALA H 1 1 16 2319 1 1 5 ALA HA H -1.368 -0.014 -3.877 1.00 . A A . 5 ALA HA 1 1 16 2320 1 1 5 ALA HB1 H 0.383 -0.035 -5.290 1.00 . A A . 5 ALA HB1 1 1 16 2321 1 1 5 ALA HB2 H 0.501 1.705 -4.931 1.00 . A A . 5 ALA HB2 1 1 16 2322 1 1 5 ALA HB3 H 1.515 0.542 -4.044 1.00 . A A . 5 ALA HB3 1 1 16 2323 1 1 5 ALA N N -1.055 1.872 -3.064 1.00 . A A . 5 ALA N 1 1 16 2324 1 1 5 ALA O O 0.923 -0.988 -2.349 1.00 . A A . 5 ALA O 1 1 16 2325 1 1 6 VAL C C -1.050 -1.846 0.428 1.00 . A A . 6 VAL C 1 1 16 2326 1 1 6 VAL CA C -0.201 -0.609 0.157 1.00 . A A . 6 VAL CA 1 1 16 2327 1 1 6 VAL CB C -0.299 0.345 1.361 1.00 . A A . 6 VAL CB 1 1 16 2328 1 1 6 VAL CG1 C 0.581 1.567 1.150 1.00 . A A . 6 VAL CG1 1 1 16 2329 1 1 6 VAL CG2 C -1.744 0.753 1.601 1.00 . A A . 6 VAL CG2 1 1 16 2330 1 1 6 VAL H H -1.379 0.712 -1.050 1.00 . A A . 6 VAL H 1 1 16 2331 1 1 6 VAL HA H 0.838 -0.921 0.048 1.00 . A A . 6 VAL HA 1 1 16 2332 1 1 6 VAL HB H 0.058 -0.184 2.245 1.00 . A A . 6 VAL HB 1 1 16 2333 1 1 6 VAL HG11 H 1.610 1.250 0.980 1.00 . A A . 6 VAL HG11 1 1 16 2334 1 1 6 VAL HG12 H 0.538 2.202 2.035 1.00 . A A . 6 VAL HG12 1 1 16 2335 1 1 6 VAL HG13 H 0.226 2.126 0.284 1.00 . A A . 6 VAL HG13 1 1 16 2336 1 1 6 VAL HG21 H -2.354 -0.138 1.749 1.00 . A A . 6 VAL HG21 1 1 16 2337 1 1 6 VAL HG22 H -1.801 1.383 2.488 1.00 . A A . 6 VAL HG22 1 1 16 2338 1 1 6 VAL HG23 H -2.113 1.307 0.738 1.00 . A A . 6 VAL HG23 1 1 16 2339 1 1 6 VAL N N -0.616 0.051 -1.077 1.00 . A A . 6 VAL N 1 1 16 2340 1 1 6 VAL O O -1.174 -2.286 1.571 1.00 . A A . 6 VAL O 1 1 16 2341 1 1 7 GLY C C -2.129 -4.656 -1.501 1.00 . A A . 7 GLY C 1 1 16 2342 1 1 7 GLY CA C -2.461 -3.585 -0.482 1.00 . A A . 7 GLY CA 1 1 16 2343 1 1 7 GLY H H -1.496 -1.999 -1.544 1.00 . A A . 7 GLY H 1 1 16 2344 1 1 7 GLY HA2 H -2.322 -3.993 0.519 1.00 . A A . 7 GLY HA2 1 1 16 2345 1 1 7 GLY HA3 H -3.505 -3.297 -0.605 1.00 . A A . 7 GLY HA3 1 1 16 2346 1 1 7 GLY N N -1.632 -2.403 -0.628 1.00 . A A . 7 GLY N 1 1 16 2347 1 1 7 GLY O O -3.021 -5.336 -2.011 1.00 . A A . 7 GLY O 1 1 16 2348 1 1 8 HIS C C 0.857 -6.516 -2.275 1.00 . A A . 8 HIS C 1 1 16 2349 1 1 8 HIS CA C -0.397 -5.802 -2.770 1.00 . A A . 8 HIS CA 1 1 16 2350 1 1 8 HIS CB C -0.121 -5.141 -4.122 1.00 . A A . 8 HIS CB 1 1 16 2351 1 1 8 HIS CD2 C -1.098 -2.855 -4.871 1.00 . A A . 8 HIS CD2 1 1 16 2352 1 1 8 HIS CE1 C -3.194 -3.467 -5.043 1.00 . A A . 8 HIS CE1 1 1 16 2353 1 1 8 HIS CG C -1.193 -4.174 -4.543 1.00 . A A . 8 HIS CG 1 1 16 2354 1 1 8 HIS H H -0.158 -4.218 -1.349 1.00 . A A . 8 HIS H 1 1 16 2355 1 1 8 HIS HA H -1.189 -6.540 -2.899 1.00 . A A . 8 HIS HA 1 1 16 2356 1 1 8 HIS HB2 H 0.829 -4.610 -4.066 1.00 . A A . 8 HIS HB2 1 1 16 2357 1 1 8 HIS HB3 H -0.043 -5.922 -4.879 1.00 . A A . 8 HIS HB3 1 1 16 2358 1 1 8 HIS HD2 H -0.197 -2.260 -4.883 1.00 . A A . 8 HIS HD2 1 1 16 2359 1 1 8 HIS HE1 H -4.259 -3.439 -5.218 1.00 . A A . 8 HIS HE1 1 1 16 2360 1 1 8 HIS HE2 H -2.638 -1.488 -5.471 1.00 . A A . 8 HIS HE2 1 1 16 2361 1 1 8 HIS N N -0.843 -4.807 -1.802 1.00 . A A . 8 HIS N 1 1 16 2362 1 1 8 HIS ND1 N -2.524 -4.542 -4.658 1.00 . A A . 8 HIS ND1 1 1 16 2363 1 1 8 HIS NE2 N -2.375 -2.421 -5.186 1.00 . A A . 8 HIS NE2 1 1 16 2364 1 1 8 HIS O O 0.895 -7.745 -2.194 1.00 . A A . 8 HIS O 1 1 16 2365 1 1 9 LEU C C 2.949 -6.974 -0.105 1.00 . A A . 9 LEU C 1 1 16 2366 1 1 9 LEU CA C 3.141 -6.297 -1.459 1.00 . A A . 9 LEU CA 1 1 16 2367 1 1 9 LEU CB C 4.199 -5.199 -1.347 1.00 . A A . 9 LEU CB 1 1 16 2368 1 1 9 LEU CD1 C 5.649 -5.065 -3.388 1.00 . A A . 9 LEU CD1 1 1 16 2369 1 1 9 LEU CD2 C 6.675 -4.883 -1.115 1.00 . A A . 9 LEU CD2 1 1 16 2370 1 1 9 LEU CG C 5.570 -5.525 -1.940 1.00 . A A . 9 LEU CG 1 1 16 2371 1 1 9 LEU H H 1.790 -4.738 -2.033 1.00 . A A . 9 LEU H 1 1 16 2372 1 1 9 LEU HA H 3.489 -7.043 -2.174 1.00 . A A . 9 LEU HA 1 1 16 2373 1 1 9 LEU HB2 H 3.817 -4.304 -1.838 1.00 . A A . 9 LEU HB2 1 1 16 2374 1 1 9 LEU HB3 H 4.338 -4.977 -0.289 1.00 . A A . 9 LEU HB3 1 1 16 2375 1 1 9 LEU HD11 H 4.851 -5.534 -3.963 1.00 . A A . 9 LEU HD11 1 1 16 2376 1 1 9 LEU HD12 H 5.539 -3.981 -3.431 1.00 . A A . 9 LEU HD12 1 1 16 2377 1 1 9 LEU HD13 H 6.614 -5.349 -3.807 1.00 . A A . 9 LEU HD13 1 1 16 2378 1 1 9 LEU HD21 H 6.603 -5.224 -0.082 1.00 . A A . 9 LEU HD21 1 1 16 2379 1 1 9 LEU HD22 H 6.569 -3.799 -1.148 1.00 . A A . 9 LEU HD22 1 1 16 2380 1 1 9 LEU HD23 H 7.645 -5.166 -1.524 1.00 . A A . 9 LEU HD23 1 1 16 2381 1 1 9 LEU HG H 5.707 -6.606 -1.915 1.00 . A A . 9 LEU HG 1 1 16 2382 1 1 9 LEU N N 1.883 -5.740 -1.945 1.00 . A A . 9 LEU N 1 1 16 2383 1 1 9 LEU O O 3.536 -8.021 0.166 1.00 . A A . 9 LEU O 1 1 16 2384 1 1 10 MET C C 0.355 -6.865 2.376 1.00 . A A . 10 MET C 1 1 16 2385 1 1 10 MET CA C 1.848 -6.915 2.065 1.00 . A A . 10 MET CA 1 1 16 2386 1 1 10 MET CB C 2.629 -6.142 3.129 1.00 . A A . 10 MET CB 1 1 16 2387 1 1 10 MET CE C 2.326 -2.942 0.972 1.00 . A A . 10 MET CE 1 1 16 2388 1 1 10 MET CG C 2.317 -4.654 3.152 1.00 . A A . 10 MET CG 1 1 16 2389 1 1 10 MET H H 1.668 -5.511 0.459 1.00 . A A . 10 MET H 1 1 16 2390 1 1 10 MET HA H 2.172 -7.956 2.084 1.00 . A A . 10 MET HA 1 1 16 2391 1 1 10 MET HB2 H 2.400 -6.564 4.108 1.00 . A A . 10 MET HB2 1 1 16 2392 1 1 10 MET HB3 H 3.694 -6.268 2.934 1.00 . A A . 10 MET HB3 1 1 16 2393 1 1 10 MET HE1 H 2.883 -2.313 0.277 1.00 . A A . 10 MET HE1 1 1 16 2394 1 1 10 MET HE2 H 1.599 -2.333 1.509 1.00 . A A . 10 MET HE2 1 1 16 2395 1 1 10 MET HE3 H 1.807 -3.724 0.418 1.00 . A A . 10 MET HE3 1 1 16 2396 1 1 10 MET HG2 H 1.305 -4.504 2.776 1.00 . A A . 10 MET HG2 1 1 16 2397 1 1 10 MET HG3 H 2.368 -4.298 4.181 1.00 . A A . 10 MET HG3 1 1 16 2398 1 1 10 MET N N 2.120 -6.369 0.741 1.00 . A A . 10 MET N 1 1 16 2399 1 1 10 MET O O -0.377 -6.039 1.831 1.00 . A A . 10 MET O 1 1 16 2400 1 1 10 MET SD S 3.458 -3.690 2.141 1.00 . A A . 10 MET SD 1 1 17 2401 1 1 1 GLY C C 6.061 7.597 -3.089 1.00 . A A . 1 GLY C 1 1 17 2402 1 1 1 GLY CA C 7.505 7.940 -2.783 1.00 . A A . 1 GLY CA 1 1 17 2403 1 1 1 GLY H1 H 8.835 7.887 -1.255 1.00 . A A . 1 GLY H1 1 1 17 2404 1 1 1 GLY H2 H 7.737 6.656 -1.233 1.00 . A A . 1 GLY H2 1 1 17 2405 1 1 1 GLY H3 H 7.281 8.176 -0.783 1.00 . A A . 1 GLY H3 1 1 17 2406 1 1 1 GLY HA2 H 7.664 9.002 -2.969 1.00 . A A . 1 GLY HA2 1 1 17 2407 1 1 1 GLY HA3 H 8.149 7.364 -3.447 1.00 . A A . 1 GLY HA3 1 1 17 2408 1 1 1 GLY N N 7.867 7.642 -1.409 1.00 . A A . 1 GLY N 1 1 17 2409 1 1 1 GLY O O 5.232 8.486 -3.278 1.00 . A A . 1 GLY O 1 1 17 2410 1 1 2 ASN C C 3.616 5.636 -2.140 1.00 . A A . 2 ASN C 1 1 17 2411 1 1 2 ASN CA C 4.404 5.846 -3.428 1.00 . A A . 2 ASN CA 1 1 17 2412 1 1 2 ASN CB C 4.444 4.545 -4.232 1.00 . A A . 2 ASN CB 1 1 17 2413 1 1 2 ASN CG C 5.059 4.732 -5.606 1.00 . A A . 2 ASN CG 1 1 17 2414 1 1 2 ASN H H 6.485 5.622 -2.975 1.00 . A A . 2 ASN H 1 1 17 2415 1 1 2 ASN HA H 3.900 6.607 -4.024 1.00 . A A . 2 ASN HA 1 1 17 2416 1 1 2 ASN HB2 H 5.026 3.806 -3.681 1.00 . A A . 2 ASN HB2 1 1 17 2417 1 1 2 ASN HB3 H 3.425 4.177 -4.352 1.00 . A A . 2 ASN HB3 1 1 17 2418 1 1 2 ASN HD21 H 3.221 4.980 -6.431 1.00 . A A . 2 ASN HD21 1 1 17 2419 1 1 2 ASN HD22 H 4.567 5.080 -7.544 1.00 . A A . 2 ASN HD22 1 1 17 2420 1 1 2 ASN N N 5.759 6.304 -3.140 1.00 . A A . 2 ASN N 1 1 17 2421 1 1 2 ASN ND2 N 4.215 4.948 -6.607 1.00 . A A . 2 ASN ND2 1 1 17 2422 1 1 2 ASN O O 3.935 4.756 -1.339 1.00 . A A . 2 ASN O 1 1 17 2423 1 1 2 ASN OD1 O 6.280 4.684 -5.764 1.00 . A A . 2 ASN OD1 1 1 17 2424 1 1 3 HIS C C 0.748 5.208 -0.883 1.00 . A A . 3 HIS C 1 1 17 2425 1 1 3 HIS CA C 1.747 6.353 -0.753 1.00 . A A . 3 HIS CA 1 1 17 2426 1 1 3 HIS CB C 1.006 7.668 -0.516 1.00 . A A . 3 HIS CB 1 1 17 2427 1 1 3 HIS CD2 C 2.586 8.388 1.414 1.00 . A A . 3 HIS CD2 1 1 17 2428 1 1 3 HIS CE1 C 2.405 10.555 1.157 1.00 . A A . 3 HIS CE1 1 1 17 2429 1 1 3 HIS CG C 1.742 8.632 0.373 1.00 . A A . 3 HIS CG 1 1 17 2430 1 1 3 HIS H H 2.372 7.153 -2.639 1.00 . A A . 3 HIS H 1 1 17 2431 1 1 3 HIS HA H 2.389 6.157 0.106 1.00 . A A . 3 HIS HA 1 1 17 2432 1 1 3 HIS HB2 H 0.842 8.148 -1.481 1.00 . A A . 3 HIS HB2 1 1 17 2433 1 1 3 HIS HB3 H 0.038 7.448 -0.067 1.00 . A A . 3 HIS HB3 1 1 17 2434 1 1 3 HIS HD2 H 2.878 7.419 1.790 1.00 . A A . 3 HIS HD2 1 1 17 2435 1 1 3 HIS HE1 H 2.532 11.618 1.297 1.00 . A A . 3 HIS HE1 1 1 17 2436 1 1 3 HIS HE2 H 3.630 9.773 2.671 1.00 . A A . 3 HIS HE2 1 1 17 2437 1 1 3 HIS N N 2.583 6.450 -1.945 1.00 . A A . 3 HIS N 1 1 17 2438 1 1 3 HIS ND1 N 1.640 10.006 0.226 1.00 . A A . 3 HIS ND1 1 1 17 2439 1 1 3 HIS NE2 N 2.998 9.616 1.899 1.00 . A A . 3 HIS NE2 1 1 17 2440 1 1 3 HIS O O 0.654 4.352 -0.004 1.00 . A A . 3 HIS O 1 1 17 2441 1 1 4 TRP C C -0.318 2.840 -2.588 1.00 . A A . 4 TRP C 1 1 17 2442 1 1 4 TRP CA C -0.990 4.159 -2.226 1.00 . A A . 4 TRP CA 1 1 17 2443 1 1 4 TRP CB C -1.942 4.586 -3.345 1.00 . A A . 4 TRP CB 1 1 17 2444 1 1 4 TRP CD1 C -0.098 4.704 -5.122 1.00 . A A . 4 TRP CD1 1 1 17 2445 1 1 4 TRP CD2 C -2.040 3.867 -5.862 1.00 . A A . 4 TRP CD2 1 1 17 2446 1 1 4 TRP CE2 C -1.119 3.877 -6.929 1.00 . A A . 4 TRP CE2 1 1 17 2447 1 1 4 TRP CE3 C -3.331 3.382 -6.091 1.00 . A A . 4 TRP CE3 1 1 17 2448 1 1 4 TRP CG C -1.367 4.399 -4.717 1.00 . A A . 4 TRP CG 1 1 17 2449 1 1 4 TRP CH2 C -2.721 2.952 -8.397 1.00 . A A . 4 TRP CH2 1 1 17 2450 1 1 4 TRP CZ2 C -1.451 3.421 -8.202 1.00 . A A . 4 TRP CZ2 1 1 17 2451 1 1 4 TRP CZ3 C -3.658 2.930 -7.356 1.00 . A A . 4 TRP CZ3 1 1 17 2452 1 1 4 TRP H H 0.129 5.932 -2.668 1.00 . A A . 4 TRP H 1 1 17 2453 1 1 4 TRP HA H -1.570 4.014 -1.314 1.00 . A A . 4 TRP HA 1 1 17 2454 1 1 4 TRP HB2 H -2.860 4.004 -3.266 1.00 . A A . 4 TRP HB2 1 1 17 2455 1 1 4 TRP HB3 H -2.182 5.641 -3.211 1.00 . A A . 4 TRP HB3 1 1 17 2456 1 1 4 TRP HD1 H 0.670 5.127 -4.491 1.00 . A A . 4 TRP HD1 1 1 17 2457 1 1 4 TRP HE1 H 0.901 4.522 -6.989 1.00 . A A . 4 TRP HE1 1 1 17 2458 1 1 4 TRP HE3 H -4.060 3.361 -5.294 1.00 . A A . 4 TRP HE3 1 1 17 2459 1 1 4 TRP HH2 H -3.007 2.591 -9.374 1.00 . A A . 4 TRP HH2 1 1 17 2460 1 1 4 TRP HZ2 H -0.731 3.437 -9.007 1.00 . A A . 4 TRP HZ2 1 1 17 2461 1 1 4 TRP HZ3 H -4.653 2.554 -7.545 1.00 . A A . 4 TRP HZ3 1 1 17 2462 1 1 4 TRP N N 0.004 5.200 -1.983 1.00 . A A . 4 TRP N 1 1 17 2463 1 1 4 TRP NE1 N 0.056 4.392 -6.451 1.00 . A A . 4 TRP NE1 1 1 17 2464 1 1 4 TRP O O 0.894 2.689 -2.442 1.00 . A A . 4 TRP O 1 1 17 2465 1 1 5 ALA C C -0.045 -0.171 -2.239 1.00 . A A . 5 ALA C 1 1 17 2466 1 1 5 ALA CA C -0.594 0.580 -3.446 1.00 . A A . 5 ALA CA 1 1 17 2467 1 1 5 ALA CB C 0.483 0.733 -4.510 1.00 . A A . 5 ALA CB 1 1 17 2468 1 1 5 ALA H H -2.102 2.071 -3.158 1.00 . A A . 5 ALA H 1 1 17 2469 1 1 5 ALA HA H -1.412 -0.003 -3.869 1.00 . A A . 5 ALA HA 1 1 17 2470 1 1 5 ALA HB1 H 0.328 -0.008 -5.294 1.00 . A A . 5 ALA HB1 1 1 17 2471 1 1 5 ALA HB2 H 1.464 0.584 -4.058 1.00 . A A . 5 ALA HB2 1 1 17 2472 1 1 5 ALA HB3 H 0.430 1.733 -4.940 1.00 . A A . 5 ALA HB3 1 1 17 2473 1 1 5 ALA N N -1.114 1.886 -3.062 1.00 . A A . 5 ALA N 1 1 17 2474 1 1 5 ALA O O 0.902 -0.948 -2.355 1.00 . A A . 5 ALA O 1 1 17 2475 1 1 6 VAL C C -1.044 -1.834 0.430 1.00 . A A . 6 VAL C 1 1 17 2476 1 1 6 VAL CA C -0.215 -0.586 0.156 1.00 . A A . 6 VAL CA 1 1 17 2477 1 1 6 VAL CB C -0.320 0.365 1.361 1.00 . A A . 6 VAL CB 1 1 17 2478 1 1 6 VAL CG1 C 0.501 1.623 1.124 1.00 . A A . 6 VAL CG1 1 1 17 2479 1 1 6 VAL CG2 C -1.775 0.714 1.639 1.00 . A A . 6 VAL CG2 1 1 17 2480 1 1 6 VAL H H -1.417 0.720 -1.045 1.00 . A A . 6 VAL H 1 1 17 2481 1 1 6 VAL HA H 0.827 -0.883 0.042 1.00 . A A . 6 VAL HA 1 1 17 2482 1 1 6 VAL HB H 0.082 -0.146 2.236 1.00 . A A . 6 VAL HB 1 1 17 2483 1 1 6 VAL HG11 H 1.538 1.349 0.927 1.00 . A A . 6 VAL HG11 1 1 17 2484 1 1 6 VAL HG12 H 0.099 2.163 0.267 1.00 . A A . 6 VAL HG12 1 1 17 2485 1 1 6 VAL HG13 H 0.455 2.259 2.008 1.00 . A A . 6 VAL HG13 1 1 17 2486 1 1 6 VAL HG21 H -2.343 -0.201 1.805 1.00 . A A . 6 VAL HG21 1 1 17 2487 1 1 6 VAL HG22 H -1.834 1.345 2.526 1.00 . A A . 6 VAL HG22 1 1 17 2488 1 1 6 VAL HG23 H -2.190 1.249 0.785 1.00 . A A . 6 VAL HG23 1 1 17 2489 1 1 6 VAL N N -0.645 0.069 -1.076 1.00 . A A . 6 VAL N 1 1 17 2490 1 1 6 VAL O O -1.157 -2.277 1.573 1.00 . A A . 6 VAL O 1 1 17 2491 1 1 7 GLY C C -2.094 -4.659 -1.494 1.00 . A A . 7 GLY C 1 1 17 2492 1 1 7 GLY CA C -2.437 -3.592 -0.473 1.00 . A A . 7 GLY CA 1 1 17 2493 1 1 7 GLY H H -1.500 -1.993 -1.540 1.00 . A A . 7 GLY H 1 1 17 2494 1 1 7 GLY HA2 H -2.278 -3.999 0.525 1.00 . A A . 7 GLY HA2 1 1 17 2495 1 1 7 GLY HA3 H -3.487 -3.322 -0.582 1.00 . A A . 7 GLY HA3 1 1 17 2496 1 1 7 GLY N N -1.625 -2.399 -0.624 1.00 . A A . 7 GLY N 1 1 17 2497 1 1 7 GLY O O -2.978 -5.353 -1.998 1.00 . A A . 7 GLY O 1 1 17 2498 1 1 8 HIS C C 0.917 -6.473 -2.284 1.00 . A A . 8 HIS C 1 1 17 2499 1 1 8 HIS CA C -0.351 -5.779 -2.773 1.00 . A A . 8 HIS CA 1 1 17 2500 1 1 8 HIS CB C -0.093 -5.114 -4.127 1.00 . A A . 8 HIS CB 1 1 17 2501 1 1 8 HIS CD2 C -1.110 -2.844 -4.871 1.00 . A A . 8 HIS CD2 1 1 17 2502 1 1 8 HIS CE1 C -3.197 -3.486 -5.027 1.00 . A A . 8 HIS CE1 1 1 17 2503 1 1 8 HIS CG C -1.183 -4.164 -4.541 1.00 . A A . 8 HIS CG 1 1 17 2504 1 1 8 HIS H H -0.130 -4.190 -1.355 1.00 . A A . 8 HIS H 1 1 17 2505 1 1 8 HIS HA H -1.132 -6.529 -2.898 1.00 . A A . 8 HIS HA 1 1 17 2506 1 1 8 HIS HB2 H 0.844 -4.560 -4.067 1.00 . A A . 8 HIS HB2 1 1 17 2507 1 1 8 HIS HB3 H 0.005 -5.890 -4.887 1.00 . A A . 8 HIS HB3 1 1 17 2508 1 1 8 HIS HD2 H -0.218 -2.236 -4.890 1.00 . A A . 8 HIS HD2 1 1 17 2509 1 1 8 HIS HE1 H -4.264 -3.474 -5.194 1.00 . A A . 8 HIS HE1 1 1 17 2510 1 1 8 HIS HE2 H -2.674 -1.501 -5.461 1.00 . A A . 8 HIS HE2 1 1 17 2511 1 1 8 HIS N N -0.808 -4.790 -1.803 1.00 . A A . 8 HIS N 1 1 17 2512 1 1 8 HIS ND1 N -2.508 -4.552 -4.645 1.00 . A A . 8 HIS ND1 1 1 17 2513 1 1 8 HIS NE2 N -2.395 -2.429 -5.177 1.00 . A A . 8 HIS NE2 1 1 17 2514 1 1 8 HIS O O 0.990 -7.702 -2.245 1.00 . A A . 8 HIS O 1 1 17 2515 1 1 9 LEU C C 3.012 -6.852 -0.053 1.00 . A A . 9 LEU C 1 1 17 2516 1 1 9 LEU CA C 3.182 -6.215 -1.428 1.00 . A A . 9 LEU CA 1 1 17 2517 1 1 9 LEU CB C 4.237 -5.110 -1.365 1.00 . A A . 9 LEU CB 1 1 17 2518 1 1 9 LEU CD1 C 5.559 -5.191 -3.494 1.00 . A A . 9 LEU CD1 1 1 17 2519 1 1 9 LEU CD2 C 6.695 -4.620 -1.340 1.00 . A A . 9 LEU CD2 1 1 17 2520 1 1 9 LEU CG C 5.592 -5.439 -1.993 1.00 . A A . 9 LEU CG 1 1 17 2521 1 1 9 LEU H H 1.794 -4.677 -1.970 1.00 . A A . 9 LEU H 1 1 17 2522 1 1 9 LEU HA H 3.524 -6.981 -2.125 1.00 . A A . 9 LEU HA 1 1 17 2523 1 1 9 LEU HB2 H 3.835 -4.236 -1.878 1.00 . A A . 9 LEU HB2 1 1 17 2524 1 1 9 LEU HB3 H 4.398 -4.849 -0.319 1.00 . A A . 9 LEU HB3 1 1 17 2525 1 1 9 LEU HD11 H 4.764 -5.785 -3.944 1.00 . A A . 9 LEU HD11 1 1 17 2526 1 1 9 LEU HD12 H 5.373 -4.134 -3.683 1.00 . A A . 9 LEU HD12 1 1 17 2527 1 1 9 LEU HD13 H 6.516 -5.476 -3.930 1.00 . A A . 9 LEU HD13 1 1 17 2528 1 1 9 LEU HD21 H 6.703 -4.811 -0.267 1.00 . A A . 9 LEU HD21 1 1 17 2529 1 1 9 LEU HD22 H 7.658 -4.902 -1.766 1.00 . A A . 9 LEU HD22 1 1 17 2530 1 1 9 LEU HD23 H 6.515 -3.560 -1.519 1.00 . A A . 9 LEU HD23 1 1 17 2531 1 1 9 LEU HG H 5.802 -6.495 -1.824 1.00 . A A . 9 LEU HG 1 1 17 2532 1 1 9 LEU N N 1.915 -5.678 -1.914 1.00 . A A . 9 LEU N 1 1 17 2533 1 1 9 LEU O O 3.421 -7.990 0.170 1.00 . A A . 9 LEU O 1 1 17 2534 1 1 10 MET C C 0.705 -6.488 2.600 1.00 . A A . 10 MET C 1 1 17 2535 1 1 10 MET CA C 2.177 -6.601 2.219 1.00 . A A . 10 MET CA 1 1 17 2536 1 1 10 MET CB C 3.036 -5.824 3.219 1.00 . A A . 10 MET CB 1 1 17 2537 1 1 10 MET CE C 2.428 -2.601 1.146 1.00 . A A . 10 MET CE 1 1 17 2538 1 1 10 MET CG C 2.700 -4.343 3.286 1.00 . A A . 10 MET CG 1 1 17 2539 1 1 10 MET H H 2.092 -5.179 0.621 1.00 . A A . 10 MET H 1 1 17 2540 1 1 10 MET HA H 2.465 -7.652 2.258 1.00 . A A . 10 MET HA 1 1 17 2541 1 1 10 MET HB2 H 2.902 -6.259 4.209 1.00 . A A . 10 MET HB2 1 1 17 2542 1 1 10 MET HB3 H 4.082 -5.927 2.929 1.00 . A A . 10 MET HB3 1 1 17 2543 1 1 10 MET HE1 H 2.891 -1.956 0.399 1.00 . A A . 10 MET HE1 1 1 17 2544 1 1 10 MET HE2 H 1.764 -2.009 1.776 1.00 . A A . 10 MET HE2 1 1 17 2545 1 1 10 MET HE3 H 1.854 -3.382 0.646 1.00 . A A . 10 MET HE3 1 1 17 2546 1 1 10 MET HG2 H 1.649 -4.212 3.027 1.00 . A A . 10 MET HG2 1 1 17 2547 1 1 10 MET HG3 H 2.860 -3.990 4.305 1.00 . A A . 10 MET HG3 1 1 17 2548 1 1 10 MET N N 2.404 -6.108 0.866 1.00 . A A . 10 MET N 1 1 17 2549 1 1 10 MET O O 0.022 -7.495 2.787 1.00 . A A . 10 MET O 1 1 17 2550 1 1 10 MET SD S 3.700 -3.351 2.160 1.00 . A A . 10 MET SD 1 1 18 2551 1 1 1 GLY C C 6.945 4.111 -1.487 1.00 . A A . 1 GLY C 1 1 18 2552 1 1 1 GLY CA C 7.761 2.959 -0.933 1.00 . A A . 1 GLY CA 1 1 18 2553 1 1 1 GLY H1 H 7.607 1.522 0.486 1.00 . A A . 1 GLY H1 1 1 18 2554 1 1 1 GLY H2 H 6.418 2.663 0.553 1.00 . A A . 1 GLY H2 1 1 18 2555 1 1 1 GLY H3 H 6.386 1.506 -0.622 1.00 . A A . 1 GLY H3 1 1 18 2556 1 1 1 GLY HA2 H 8.605 3.360 -0.372 1.00 . A A . 1 GLY HA2 1 1 18 2557 1 1 1 GLY HA3 H 8.139 2.366 -1.766 1.00 . A A . 1 GLY HA3 1 1 18 2558 1 1 1 GLY N N 6.984 2.097 -0.063 1.00 . A A . 1 GLY N 1 1 18 2559 1 1 1 GLY O O 7.459 5.213 -1.669 1.00 . A A . 1 GLY O 1 1 18 2560 1 1 2 ASN C C 3.578 5.088 -1.383 1.00 . A A . 2 ASN C 1 1 18 2561 1 1 2 ASN CA C 4.781 4.878 -2.296 1.00 . A A . 2 ASN CA 1 1 18 2562 1 1 2 ASN CB C 4.310 4.486 -3.698 1.00 . A A . 2 ASN CB 1 1 18 2563 1 1 2 ASN CG C 5.450 4.426 -4.696 1.00 . A A . 2 ASN CG 1 1 18 2564 1 1 2 ASN H H 5.307 2.927 -1.587 1.00 . A A . 2 ASN H 1 1 18 2565 1 1 2 ASN HA H 5.333 5.816 -2.365 1.00 . A A . 2 ASN HA 1 1 18 2566 1 1 2 ASN HB2 H 3.838 3.505 -3.647 1.00 . A A . 2 ASN HB2 1 1 18 2567 1 1 2 ASN HB3 H 3.576 5.215 -4.042 1.00 . A A . 2 ASN HB3 1 1 18 2568 1 1 2 ASN HD21 H 5.366 2.397 -4.719 1.00 . A A . 2 ASN HD21 1 1 18 2569 1 1 2 ASN HD22 H 6.585 3.112 -5.750 1.00 . A A . 2 ASN HD22 1 1 18 2570 1 1 2 ASN N N 5.670 3.854 -1.758 1.00 . A A . 2 ASN N 1 1 18 2571 1 1 2 ASN ND2 N 5.831 3.215 -5.086 1.00 . A A . 2 ASN ND2 1 1 18 2572 1 1 2 ASN O O 3.332 4.301 -0.470 1.00 . A A . 2 ASN O 1 1 18 2573 1 1 2 ASN OD1 O 5.981 5.456 -5.111 1.00 . A A . 2 ASN OD1 1 1 18 2574 1 1 3 HIS C C 0.628 5.343 -0.910 1.00 . A A . 3 HIS C 1 1 18 2575 1 1 3 HIS CA C 1.650 6.474 -0.838 1.00 . A A . 3 HIS CA 1 1 18 2576 1 1 3 HIS CB C 1.018 7.779 -1.315 1.00 . A A . 3 HIS CB 1 1 18 2577 1 1 3 HIS CD2 C -0.615 7.775 0.704 1.00 . A A . 3 HIS CD2 1 1 18 2578 1 1 3 HIS CE1 C -1.998 9.308 -0.027 1.00 . A A . 3 HIS CE1 1 1 18 2579 1 1 3 HIS CG C -0.181 8.205 -0.514 1.00 . A A . 3 HIS CG 1 1 18 2580 1 1 3 HIS H H 3.085 6.767 -2.400 1.00 . A A . 3 HIS H 1 1 18 2581 1 1 3 HIS HA H 1.957 6.597 0.200 1.00 . A A . 3 HIS HA 1 1 18 2582 1 1 3 HIS HB2 H 1.768 8.568 -1.268 1.00 . A A . 3 HIS HB2 1 1 18 2583 1 1 3 HIS HB3 H 0.709 7.651 -2.353 1.00 . A A . 3 HIS HB3 1 1 18 2584 1 1 3 HIS HD2 H -0.148 7.023 1.323 1.00 . A A . 3 HIS HD2 1 1 18 2585 1 1 3 HIS HE1 H -2.831 9.992 -0.088 1.00 . A A . 3 HIS HE1 1 1 18 2586 1 1 3 HIS HE2 H -2.329 8.395 1.833 1.00 . A A . 3 HIS HE2 1 1 18 2587 1 1 3 HIS N N 2.830 6.158 -1.636 1.00 . A A . 3 HIS N 1 1 18 2588 1 1 3 HIS ND1 N -1.067 9.173 -0.959 1.00 . A A . 3 HIS ND1 1 1 18 2589 1 1 3 HIS NE2 N -1.767 8.484 0.998 1.00 . A A . 3 HIS NE2 1 1 18 2590 1 1 3 HIS O O 0.425 4.614 0.061 1.00 . A A . 3 HIS O 1 1 18 2591 1 1 4 TRP C C -0.358 2.840 -2.639 1.00 . A A . 4 TRP C 1 1 18 2592 1 1 4 TRP CA C -1.014 4.164 -2.262 1.00 . A A . 4 TRP CA 1 1 18 2593 1 1 4 TRP CB C -2.007 4.582 -3.349 1.00 . A A . 4 TRP CB 1 1 18 2594 1 1 4 TRP CD1 C -0.232 4.682 -5.195 1.00 . A A . 4 TRP CD1 1 1 18 2595 1 1 4 TRP CD2 C -2.200 3.842 -5.855 1.00 . A A . 4 TRP CD2 1 1 18 2596 1 1 4 TRP CE2 C -1.320 3.843 -6.955 1.00 . A A . 4 TRP CE2 1 1 18 2597 1 1 4 TRP CE3 C -3.498 3.357 -6.032 1.00 . A A . 4 TRP CE3 1 1 18 2598 1 1 4 TRP CG C -1.484 4.383 -4.739 1.00 . A A . 4 TRP CG 1 1 18 2599 1 1 4 TRP CH2 C -2.976 2.908 -8.356 1.00 . A A . 4 TRP CH2 1 1 18 2600 1 1 4 TRP CZ2 C -1.699 3.377 -8.212 1.00 . A A . 4 TRP CZ2 1 1 18 2601 1 1 4 TRP CZ3 C -3.873 2.895 -7.280 1.00 . A A . 4 TRP CZ3 1 1 18 2602 1 1 4 TRP H H 0.201 5.834 -2.825 1.00 . A A . 4 TRP H 1 1 18 2603 1 1 4 TRP HA H -1.560 4.027 -1.328 1.00 . A A . 4 TRP HA 1 1 18 2604 1 1 4 TRP HB2 H -2.922 4.002 -3.231 1.00 . A A . 4 TRP HB2 1 1 18 2605 1 1 4 TRP HB3 H -2.241 5.638 -3.216 1.00 . A A . 4 TRP HB3 1 1 18 2606 1 1 4 TRP HD1 H 0.559 5.109 -4.597 1.00 . A A . 4 TRP HD1 1 1 18 2607 1 1 4 TRP HE1 H 0.698 4.484 -7.097 1.00 . A A . 4 TRP HE1 1 1 18 2608 1 1 4 TRP HE3 H -4.196 3.343 -5.208 1.00 . A A . 4 TRP HE3 1 1 18 2609 1 1 4 TRP HH2 H -3.299 2.540 -9.319 1.00 . A A . 4 TRP HH2 1 1 18 2610 1 1 4 TRP HZ2 H -1.009 3.386 -9.043 1.00 . A A . 4 TRP HZ2 1 1 18 2611 1 1 4 TRP HZ3 H -4.874 2.518 -7.428 1.00 . A A . 4 TRP HZ3 1 1 18 2612 1 1 4 TRP N N -0.012 5.204 -2.065 1.00 . A A . 4 TRP N 1 1 18 2613 1 1 4 TRP NE1 N -0.126 4.360 -6.527 1.00 . A A . 4 TRP NE1 1 1 18 2614 1 1 4 TRP O O 0.859 2.690 -2.537 1.00 . A A . 4 TRP O 1 1 18 2615 1 1 5 ALA C C -0.074 -0.168 -2.275 1.00 . A A . 5 ALA C 1 1 18 2616 1 1 5 ALA CA C -0.667 0.573 -3.468 1.00 . A A . 5 ALA CA 1 1 18 2617 1 1 5 ALA CB C 0.369 0.717 -4.573 1.00 . A A . 5 ALA CB 1 1 18 2618 1 1 5 ALA H H -2.162 2.070 -3.136 1.00 . A A . 5 ALA H 1 1 18 2619 1 1 5 ALA HA H -1.501 -0.013 -3.855 1.00 . A A . 5 ALA HA 1 1 18 2620 1 1 5 ALA HB1 H 0.184 -0.030 -5.345 1.00 . A A . 5 ALA HB1 1 1 18 2621 1 1 5 ALA HB2 H 0.299 1.714 -5.008 1.00 . A A . 5 ALA HB2 1 1 18 2622 1 1 5 ALA HB3 H 1.366 0.571 -4.158 1.00 . A A . 5 ALA HB3 1 1 18 2623 1 1 5 ALA N N -1.171 1.884 -3.075 1.00 . A A . 5 ALA N 1 1 18 2624 1 1 5 ALA O O 0.874 -0.940 -2.420 1.00 . A A . 5 ALA O 1 1 18 2625 1 1 6 VAL C C -0.975 -1.825 0.433 1.00 . A A . 6 VAL C 1 1 18 2626 1 1 6 VAL CA C -0.163 -0.573 0.125 1.00 . A A . 6 VAL CA 1 1 18 2627 1 1 6 VAL CB C -0.234 0.384 1.327 1.00 . A A . 6 VAL CB 1 1 18 2628 1 1 6 VAL CG1 C 0.644 1.603 1.095 1.00 . A A . 6 VAL CG1 1 1 18 2629 1 1 6 VAL CG2 C -1.674 0.797 1.597 1.00 . A A . 6 VAL CG2 1 1 18 2630 1 1 6 VAL H H -1.412 0.719 -1.041 1.00 . A A . 6 VAL H 1 1 18 2631 1 1 6 VAL HA H 0.877 -0.865 -0.022 1.00 . A A . 6 VAL HA 1 1 18 2632 1 1 6 VAL HB H 0.140 -0.143 2.205 1.00 . A A . 6 VAL HB 1 1 18 2633 1 1 6 VAL HG11 H 1.668 1.283 0.904 1.00 . A A . 6 VAL HG11 1 1 18 2634 1 1 6 VAL HG12 H 0.622 2.240 1.979 1.00 . A A . 6 VAL HG12 1 1 18 2635 1 1 6 VAL HG13 H 0.272 2.161 0.236 1.00 . A A . 6 VAL HG13 1 1 18 2636 1 1 6 VAL HG21 H -2.283 -0.092 1.760 1.00 . A A . 6 VAL HG21 1 1 18 2637 1 1 6 VAL HG22 H -1.710 1.429 2.484 1.00 . A A . 6 VAL HG22 1 1 18 2638 1 1 6 VAL HG23 H -2.060 1.350 0.741 1.00 . A A . 6 VAL HG23 1 1 18 2639 1 1 6 VAL N N -0.637 0.073 -1.095 1.00 . A A . 6 VAL N 1 1 18 2640 1 1 6 VAL O O -1.045 -2.265 1.581 1.00 . A A . 6 VAL O 1 1 18 2641 1 1 7 GLY C C -2.078 -4.662 -1.444 1.00 . A A . 7 GLY C 1 1 18 2642 1 1 7 GLY CA C -2.389 -3.593 -0.415 1.00 . A A . 7 GLY CA 1 1 18 2643 1 1 7 GLY H H -1.498 -1.992 -1.518 1.00 . A A . 7 GLY H 1 1 18 2644 1 1 7 GLY HA2 H -2.193 -3.997 0.578 1.00 . A A . 7 GLY HA2 1 1 18 2645 1 1 7 GLY HA3 H -3.444 -3.328 -0.487 1.00 . A A . 7 GLY HA3 1 1 18 2646 1 1 7 GLY N N -1.589 -2.396 -0.597 1.00 . A A . 7 GLY N 1 1 18 2647 1 1 7 GLY O O -2.975 -5.361 -1.915 1.00 . A A . 7 GLY O 1 1 18 2648 1 1 8 HIS C C 0.913 -6.465 -2.330 1.00 . A A . 8 HIS C 1 1 18 2649 1 1 8 HIS CA C -0.374 -5.779 -2.777 1.00 . A A . 8 HIS CA 1 1 18 2650 1 1 8 HIS CB C -0.167 -5.118 -4.142 1.00 . A A . 8 HIS CB 1 1 18 2651 1 1 8 HIS CD2 C -1.220 -2.855 -4.858 1.00 . A A . 8 HIS CD2 1 1 18 2652 1 1 8 HIS CE1 C -3.307 -3.508 -4.942 1.00 . A A . 8 HIS CE1 1 1 18 2653 1 1 8 HIS CG C -1.275 -4.175 -4.522 1.00 . A A . 8 HIS CG 1 1 18 2654 1 1 8 HIS H H -0.112 -4.183 -1.374 1.00 . A A . 8 HIS H 1 1 18 2655 1 1 8 HIS HA H -1.155 -6.534 -2.872 1.00 . A A . 8 HIS HA 1 1 18 2656 1 1 8 HIS HB2 H 0.769 -4.560 -4.117 1.00 . A A . 8 HIS HB2 1 1 18 2657 1 1 8 HIS HB3 H -0.092 -5.896 -4.902 1.00 . A A . 8 HIS HB3 1 1 18 2658 1 1 8 HIS HD2 H -0.332 -2.242 -4.909 1.00 . A A . 8 HIS HD2 1 1 18 2659 1 1 8 HIS HE1 H -4.379 -3.501 -5.074 1.00 . A A . 8 HIS HE1 1 1 18 2660 1 1 8 HIS HE2 H -2.809 -1.523 -5.397 1.00 . A A . 8 HIS HE2 1 1 18 2661 1 1 8 HIS N N -0.802 -4.788 -1.796 1.00 . A A . 8 HIS N 1 1 18 2662 1 1 8 HIS ND1 N -2.601 -4.570 -4.580 1.00 . A A . 8 HIS ND1 1 1 18 2663 1 1 8 HIS NE2 N -2.516 -2.449 -5.121 1.00 . A A . 8 HIS NE2 1 1 18 2664 1 1 8 HIS O O 0.972 -7.691 -2.226 1.00 . A A . 8 HIS O 1 1 18 2665 1 1 9 LEU C C 3.105 -6.893 -0.282 1.00 . A A . 9 LEU C 1 1 18 2666 1 1 9 LEU CA C 3.231 -6.198 -1.634 1.00 . A A . 9 LEU CA 1 1 18 2667 1 1 9 LEU CB C 4.265 -5.074 -1.549 1.00 . A A . 9 LEU CB 1 1 18 2668 1 1 9 LEU CD1 C 5.637 -4.892 -3.639 1.00 . A A . 9 LEU CD1 1 1 18 2669 1 1 9 LEU CD2 C 6.738 -4.694 -1.402 1.00 . A A . 9 LEU CD2 1 1 18 2670 1 1 9 LEU CG C 5.623 -5.362 -2.192 1.00 . A A . 9 LEU CG 1 1 18 2671 1 1 9 LEU H H 1.832 -4.670 -2.174 1.00 . A A . 9 LEU H 1 1 18 2672 1 1 9 LEU HA H 3.572 -6.928 -2.369 1.00 . A A . 9 LEU HA 1 1 18 2673 1 1 9 LEU HB2 H 3.845 -4.185 -2.019 1.00 . A A . 9 LEU HB2 1 1 18 2674 1 1 9 LEU HB3 H 4.435 -4.856 -0.495 1.00 . A A . 9 LEU HB3 1 1 18 2675 1 1 9 LEU HD11 H 4.832 -5.381 -4.188 1.00 . A A . 9 LEU HD11 1 1 18 2676 1 1 9 LEU HD12 H 5.495 -3.812 -3.671 1.00 . A A . 9 LEU HD12 1 1 18 2677 1 1 9 LEU HD13 H 6.594 -5.146 -4.094 1.00 . A A . 9 LEU HD13 1 1 18 2678 1 1 9 LEU HD21 H 6.712 -5.043 -0.370 1.00 . A A . 9 LEU HD21 1 1 18 2679 1 1 9 LEU HD22 H 7.700 -4.948 -1.847 1.00 . A A . 9 LEU HD22 1 1 18 2680 1 1 9 LEU HD23 H 6.601 -3.613 -1.424 1.00 . A A . 9 LEU HD23 1 1 18 2681 1 1 9 LEU HG H 5.789 -6.439 -2.178 1.00 . A A . 9 LEU HG 1 1 18 2682 1 1 9 LEU N N 1.943 -5.668 -2.069 1.00 . A A . 9 LEU N 1 1 18 2683 1 1 9 LEU O O 3.600 -8.004 -0.095 1.00 . A A . 9 LEU O 1 1 18 2684 1 1 10 MET C C 0.765 -6.799 2.367 1.00 . A A . 10 MET C 1 1 18 2685 1 1 10 MET CA C 2.243 -6.787 1.992 1.00 . A A . 10 MET CA 1 1 18 2686 1 1 10 MET CB C 3.036 -5.981 3.023 1.00 . A A . 10 MET CB 1 1 18 2687 1 1 10 MET CE C 2.308 -2.773 0.978 1.00 . A A . 10 MET CE 1 1 18 2688 1 1 10 MET CG C 2.619 -4.522 3.105 1.00 . A A . 10 MET CG 1 1 18 2689 1 1 10 MET H H 2.055 -5.321 0.443 1.00 . A A . 10 MET H 1 1 18 2690 1 1 10 MET HA H 2.610 -7.813 1.997 1.00 . A A . 10 MET HA 1 1 18 2691 1 1 10 MET HB2 H 2.904 -6.439 4.003 1.00 . A A . 10 MET HB2 1 1 18 2692 1 1 10 MET HB3 H 4.092 -6.023 2.755 1.00 . A A . 10 MET HB3 1 1 18 2693 1 1 10 MET HE1 H 2.754 -2.093 0.252 1.00 . A A . 10 MET HE1 1 1 18 2694 1 1 10 MET HE2 H 1.592 -2.228 1.594 1.00 . A A . 10 MET HE2 1 1 18 2695 1 1 10 MET HE3 H 1.796 -3.580 0.453 1.00 . A A . 10 MET HE3 1 1 18 2696 1 1 10 MET HG2 H 1.570 -4.443 2.821 1.00 . A A . 10 MET HG2 1 1 18 2697 1 1 10 MET HG3 H 2.734 -4.178 4.133 1.00 . A A . 10 MET HG3 1 1 18 2698 1 1 10 MET N N 2.437 -6.231 0.658 1.00 . A A . 10 MET N 1 1 18 2699 1 1 10 MET O O -0.066 -6.203 1.679 1.00 . A A . 10 MET O 1 1 18 2700 1 1 10 MET SD S 3.592 -3.460 2.021 1.00 . A A . 10 MET SD 1 1 19 2701 1 1 1 GLY C C 6.793 7.730 -2.709 1.00 . A A . 1 GLY C 1 1 19 2702 1 1 1 GLY CA C 8.213 8.033 -2.274 1.00 . A A . 1 GLY CA 1 1 19 2703 1 1 1 GLY H1 H 9.280 9.450 -1.296 1.00 . A A . 1 GLY H1 1 1 19 2704 1 1 1 GLY H2 H 8.011 10.045 -2.165 1.00 . A A . 1 GLY H2 1 1 19 2705 1 1 1 GLY H3 H 7.740 9.265 -0.737 1.00 . A A . 1 GLY H3 1 1 19 2706 1 1 1 GLY HA2 H 8.854 8.068 -3.155 1.00 . A A . 1 GLY HA2 1 1 19 2707 1 1 1 GLY HA3 H 8.556 7.233 -1.618 1.00 . A A . 1 GLY HA3 1 1 19 2708 1 1 1 GLY N N 8.319 9.294 -1.564 1.00 . A A . 1 GLY N 1 1 19 2709 1 1 1 GLY O O 6.140 8.560 -3.340 1.00 . A A . 1 GLY O 1 1 19 2710 1 1 2 ASN C C 4.012 6.278 -1.551 1.00 . A A . 2 ASN C 1 1 19 2711 1 1 2 ASN CA C 4.962 6.127 -2.734 1.00 . A A . 2 ASN CA 1 1 19 2712 1 1 2 ASN CB C 4.961 4.676 -3.221 1.00 . A A . 2 ASN CB 1 1 19 2713 1 1 2 ASN CG C 4.946 3.682 -2.076 1.00 . A A . 2 ASN CG 1 1 19 2714 1 1 2 ASN H H 6.901 5.899 -1.855 1.00 . A A . 2 ASN H 1 1 19 2715 1 1 2 ASN HA H 4.611 6.765 -3.545 1.00 . A A . 2 ASN HA 1 1 19 2716 1 1 2 ASN HB2 H 4.076 4.514 -3.837 1.00 . A A . 2 ASN HB2 1 1 19 2717 1 1 2 ASN HB3 H 5.851 4.505 -3.827 1.00 . A A . 2 ASN HB3 1 1 19 2718 1 1 2 ASN HD21 H 2.937 3.445 -2.262 1.00 . A A . 2 ASN HD21 1 1 19 2719 1 1 2 ASN HD22 H 3.693 2.500 -0.998 1.00 . A A . 2 ASN HD22 1 1 19 2720 1 1 2 ASN N N 6.314 6.537 -2.373 1.00 . A A . 2 ASN N 1 1 19 2721 1 1 2 ASN ND2 N 3.764 3.168 -1.753 1.00 . A A . 2 ASN ND2 1 1 19 2722 1 1 2 ASN O O 4.445 6.364 -0.401 1.00 . A A . 2 ASN O 1 1 19 2723 1 1 2 ASN OD1 O 5.985 3.379 -1.489 1.00 . A A . 2 ASN OD1 1 1 19 2724 1 1 3 HIS C C 0.676 5.324 -0.885 1.00 . A A . 3 HIS C 1 1 19 2725 1 1 3 HIS CA C 1.703 6.451 -0.799 1.00 . A A . 3 HIS CA 1 1 19 2726 1 1 3 HIS CB C 1.001 7.802 -0.919 1.00 . A A . 3 HIS CB 1 1 19 2727 1 1 3 HIS CD2 C -0.940 7.399 0.760 1.00 . A A . 3 HIS CD2 1 1 19 2728 1 1 3 HIS CE1 C -0.734 9.253 1.907 1.00 . A A . 3 HIS CE1 1 1 19 2729 1 1 3 HIS CG C 0.092 8.120 0.238 1.00 . A A . 3 HIS CG 1 1 19 2730 1 1 3 HIS H H 2.423 6.235 -2.804 1.00 . A A . 3 HIS H 1 1 19 2731 1 1 3 HIS HA H 2.194 6.400 0.173 1.00 . A A . 3 HIS HA 1 1 19 2732 1 1 3 HIS HB2 H 1.757 8.584 -0.995 1.00 . A A . 3 HIS HB2 1 1 19 2733 1 1 3 HIS HB3 H 0.406 7.800 -1.832 1.00 . A A . 3 HIS HB3 1 1 19 2734 1 1 3 HIS HD2 H -1.291 6.438 0.415 1.00 . A A . 3 HIS HD2 1 1 19 2735 1 1 3 HIS HE1 H -0.898 10.028 2.641 1.00 . A A . 3 HIS HE1 1 1 19 2736 1 1 3 HIS HE2 H -2.226 7.866 2.409 1.00 . A A . 3 HIS HE2 1 1 19 2737 1 1 3 HIS N N 2.715 6.310 -1.840 1.00 . A A . 3 HIS N 1 1 19 2738 1 1 3 HIS ND1 N 0.208 9.286 0.974 1.00 . A A . 3 HIS ND1 1 1 19 2739 1 1 3 HIS NE2 N -1.452 8.131 1.816 1.00 . A A . 3 HIS NE2 1 1 19 2740 1 1 3 HIS O O 0.478 4.579 0.076 1.00 . A A . 3 HIS O 1 1 19 2741 1 1 4 TRP C C -0.324 2.844 -2.611 1.00 . A A . 4 TRP C 1 1 19 2742 1 1 4 TRP CA C -0.978 4.172 -2.247 1.00 . A A . 4 TRP CA 1 1 19 2743 1 1 4 TRP CB C -1.952 4.595 -3.347 1.00 . A A . 4 TRP CB 1 1 19 2744 1 1 4 TRP CD1 C -0.150 4.679 -5.169 1.00 . A A . 4 TRP CD1 1 1 19 2745 1 1 4 TRP CD2 C -2.116 3.850 -5.855 1.00 . A A . 4 TRP CD2 1 1 19 2746 1 1 4 TRP CE2 C -1.220 3.842 -6.942 1.00 . A A . 4 TRP CE2 1 1 19 2747 1 1 4 TRP CE3 C -3.414 3.374 -6.049 1.00 . A A . 4 TRP CE3 1 1 19 2748 1 1 4 TRP CG C -1.411 4.390 -4.730 1.00 . A A . 4 TRP CG 1 1 19 2749 1 1 4 TRP CH2 C -2.862 2.916 -8.364 1.00 . A A . 4 TRP CH2 1 1 19 2750 1 1 4 TRP CZ2 C -1.583 3.377 -8.202 1.00 . A A . 4 TRP CZ2 1 1 19 2751 1 1 4 TRP CZ3 C -3.774 2.912 -7.300 1.00 . A A . 4 TRP CZ3 1 1 19 2752 1 1 4 TRP H H 0.236 5.852 -2.787 1.00 . A A . 4 TRP H 1 1 19 2753 1 1 4 TRP HA H -1.538 4.040 -1.321 1.00 . A A . 4 TRP HA 1 1 19 2754 1 1 4 TRP HB2 H -2.866 4.010 -3.243 1.00 . A A . 4 TRP HB2 1 1 19 2755 1 1 4 TRP HB3 H -2.193 5.650 -3.217 1.00 . A A . 4 TRP HB3 1 1 19 2756 1 1 4 TRP HD1 H 0.636 5.102 -4.561 1.00 . A A . 4 TRP HD1 1 1 19 2757 1 1 4 TRP HE1 H 0.804 4.471 -7.057 1.00 . A A . 4 TRP HE1 1 1 19 2758 1 1 4 TRP HE3 H -4.124 3.367 -5.235 1.00 . A A . 4 TRP HE3 1 1 19 2759 1 1 4 TRP HH2 H -3.174 2.548 -9.330 1.00 . A A . 4 TRP HH2 1 1 19 2760 1 1 4 TRP HZ2 H -0.881 3.380 -9.023 1.00 . A A . 4 TRP HZ2 1 1 19 2761 1 1 4 TRP HZ3 H -4.776 2.541 -7.461 1.00 . A A . 4 TRP HZ3 1 1 19 2762 1 1 4 TRP N N 0.028 5.208 -2.037 1.00 . A A . 4 TRP N 1 1 19 2763 1 1 4 TRP NE1 N -0.029 4.353 -6.498 1.00 . A A . 4 TRP NE1 1 1 19 2764 1 1 4 TRP O O 0.890 2.685 -2.491 1.00 . A A . 4 TRP O 1 1 19 2765 1 1 5 ALA C C -0.066 -0.165 -2.235 1.00 . A A . 5 ALA C 1 1 19 2766 1 1 5 ALA CA C -0.638 0.577 -3.439 1.00 . A A . 5 ALA CA 1 1 19 2767 1 1 5 ALA CB C 0.415 0.710 -4.528 1.00 . A A . 5 ALA CB 1 1 19 2768 1 1 5 ALA H H -2.127 2.082 -3.128 1.00 . A A . 5 ALA H 1 1 19 2769 1 1 5 ALA HA H -1.470 -0.004 -3.836 1.00 . A A . 5 ALA HA 1 1 19 2770 1 1 5 ALA HB1 H 0.236 -0.038 -5.300 1.00 . A A . 5 ALA HB1 1 1 19 2771 1 1 5 ALA HB2 H 0.359 1.706 -4.967 1.00 . A A . 5 ALA HB2 1 1 19 2772 1 1 5 ALA HB3 H 1.405 0.558 -4.097 1.00 . A A . 5 ALA HB3 1 1 19 2773 1 1 5 ALA N N -1.138 1.891 -3.055 1.00 . A A . 5 ALA N 1 1 19 2774 1 1 5 ALA O O 0.898 -0.921 -2.360 1.00 . A A . 5 ALA O 1 1 19 2775 1 1 6 VAL C C -1.030 -1.850 0.442 1.00 . A A . 6 VAL C 1 1 19 2776 1 1 6 VAL CA C -0.216 -0.592 0.158 1.00 . A A . 6 VAL CA 1 1 19 2777 1 1 6 VAL CB C -0.319 0.359 1.362 1.00 . A A . 6 VAL CB 1 1 19 2778 1 1 6 VAL CG1 C 0.564 1.580 1.159 1.00 . A A . 6 VAL CG1 1 1 19 2779 1 1 6 VAL CG2 C -1.765 0.768 1.598 1.00 . A A . 6 VAL CG2 1 1 19 2780 1 1 6 VAL H H -1.452 0.690 -1.033 1.00 . A A . 6 VAL H 1 1 19 2781 1 1 6 VAL HA H 0.828 -0.878 0.034 1.00 . A A . 6 VAL HA 1 1 19 2782 1 1 6 VAL HB H 0.033 -0.172 2.246 1.00 . A A . 6 VAL HB 1 1 19 2783 1 1 6 VAL HG11 H 1.593 1.261 0.992 1.00 . A A . 6 VAL HG11 1 1 19 2784 1 1 6 VAL HG12 H 0.519 2.212 2.046 1.00 . A A . 6 VAL HG12 1 1 19 2785 1 1 6 VAL HG13 H 0.213 2.142 0.294 1.00 . A A . 6 VAL HG13 1 1 19 2786 1 1 6 VAL HG21 H -2.377 -0.123 1.740 1.00 . A A . 6 VAL HG21 1 1 19 2787 1 1 6 VAL HG22 H -2.130 1.325 0.735 1.00 . A A . 6 VAL HG22 1 1 19 2788 1 1 6 VAL HG23 H -1.825 1.396 2.487 1.00 . A A . 6 VAL HG23 1 1 19 2789 1 1 6 VAL N N -0.666 0.057 -1.070 1.00 . A A . 6 VAL N 1 1 19 2790 1 1 6 VAL O O -1.121 -2.296 1.586 1.00 . A A . 6 VAL O 1 1 19 2791 1 1 7 GLY C C -2.084 -4.679 -1.478 1.00 . A A . 7 GLY C 1 1 19 2792 1 1 7 GLY CA C -2.418 -3.621 -0.445 1.00 . A A . 7 GLY CA 1 1 19 2793 1 1 7 GLY H H -1.510 -2.010 -1.521 1.00 . A A . 7 GLY H 1 1 19 2794 1 1 7 GLY HA2 H -2.237 -4.032 0.548 1.00 . A A . 7 GLY HA2 1 1 19 2795 1 1 7 GLY HA3 H -3.473 -3.360 -0.534 1.00 . A A . 7 GLY HA3 1 1 19 2796 1 1 7 GLY N N -1.619 -2.419 -0.604 1.00 . A A . 7 GLY N 1 1 19 2797 1 1 7 GLY O O -2.970 -5.376 -1.970 1.00 . A A . 7 GLY O 1 1 19 2798 1 1 8 HIS C C 0.928 -6.467 -2.324 1.00 . A A . 8 HIS C 1 1 19 2799 1 1 8 HIS CA C -0.353 -5.780 -2.788 1.00 . A A . 8 HIS CA 1 1 19 2800 1 1 8 HIS CB C -0.123 -5.108 -4.143 1.00 . A A . 8 HIS CB 1 1 19 2801 1 1 8 HIS CD2 C -1.169 -2.842 -4.860 1.00 . A A . 8 HIS CD2 1 1 19 2802 1 1 8 HIS CE1 C -3.253 -3.502 -4.987 1.00 . A A . 8 HIS CE1 1 1 19 2803 1 1 8 HIS CG C -1.226 -4.164 -4.535 1.00 . A A . 8 HIS CG 1 1 19 2804 1 1 8 HIS H H -0.121 -4.196 -1.367 1.00 . A A . 8 HIS H 1 1 19 2805 1 1 8 HIS HA H -1.130 -6.536 -2.903 1.00 . A A . 8 HIS HA 1 1 19 2806 1 1 8 HIS HB2 H 0.816 -4.556 -4.107 1.00 . A A . 8 HIS HB2 1 1 19 2807 1 1 8 HIS HB3 H -0.045 -5.884 -4.905 1.00 . A A . 8 HIS HB3 1 1 19 2808 1 1 8 HIS HD2 H -0.282 -2.226 -4.890 1.00 . A A . 8 HIS HD2 1 1 19 2809 1 1 8 HIS HE1 H -4.322 -3.498 -5.138 1.00 . A A . 8 HIS HE1 1 1 19 2810 1 1 8 HIS HE2 H -2.753 -1.510 -5.419 1.00 . A A . 8 HIS HE2 1 1 19 2811 1 1 8 HIS N N -0.801 -4.799 -1.807 1.00 . A A . 8 HIS N 1 1 19 2812 1 1 8 HIS ND1 N -2.550 -4.563 -4.622 1.00 . A A . 8 HIS ND1 1 1 19 2813 1 1 8 HIS NE2 N -2.462 -2.437 -5.144 1.00 . A A . 8 HIS NE2 1 1 19 2814 1 1 8 HIS O O 1.009 -7.696 -2.289 1.00 . A A . 8 HIS O 1 1 19 2815 1 1 9 LEU C C 3.063 -6.841 -0.132 1.00 . A A . 9 LEU C 1 1 19 2816 1 1 9 LEU CA C 3.205 -6.197 -1.508 1.00 . A A . 9 LEU CA 1 1 19 2817 1 1 9 LEU CB C 4.253 -5.083 -1.455 1.00 . A A . 9 LEU CB 1 1 19 2818 1 1 9 LEU CD1 C 5.621 -4.989 -3.553 1.00 . A A . 9 LEU CD1 1 1 19 2819 1 1 9 LEU CD2 C 6.729 -4.719 -1.327 1.00 . A A . 9 LEU CD2 1 1 19 2820 1 1 9 LEU CG C 5.606 -5.405 -2.090 1.00 . A A . 9 LEU CG 1 1 19 2821 1 1 9 LEU H H 1.798 -4.666 -2.020 1.00 . A A . 9 LEU H 1 1 19 2822 1 1 9 LEU HA H 3.541 -6.957 -2.214 1.00 . A A . 9 LEU HA 1 1 19 2823 1 1 9 LEU HB2 H 3.843 -4.203 -1.950 1.00 . A A . 9 LEU HB2 1 1 19 2824 1 1 9 LEU HB3 H 4.426 -4.838 -0.407 1.00 . A A . 9 LEU HB3 1 1 19 2825 1 1 9 LEU HD11 H 4.810 -5.490 -4.082 1.00 . A A . 9 LEU HD11 1 1 19 2826 1 1 9 LEU HD12 H 6.575 -5.269 -4.000 1.00 . A A . 9 LEU HD12 1 1 19 2827 1 1 9 LEU HD13 H 5.489 -3.909 -3.625 1.00 . A A . 9 LEU HD13 1 1 19 2828 1 1 9 LEU HD21 H 6.702 -5.029 -0.282 1.00 . A A . 9 LEU HD21 1 1 19 2829 1 1 9 LEU HD22 H 6.602 -3.638 -1.388 1.00 . A A . 9 LEU HD22 1 1 19 2830 1 1 9 LEU HD23 H 7.688 -4.997 -1.764 1.00 . A A . 9 LEU HD23 1 1 19 2831 1 1 9 LEU HG H 5.763 -6.482 -2.037 1.00 . A A . 9 LEU HG 1 1 19 2832 1 1 9 LEU N N 1.927 -5.666 -1.969 1.00 . A A . 9 LEU N 1 1 19 2833 1 1 9 LEU O O 3.575 -7.935 0.107 1.00 . A A . 9 LEU O 1 1 19 2834 1 1 10 MET C C 0.933 -7.588 2.165 1.00 . A A . 10 MET C 1 1 19 2835 1 1 10 MET CA C 2.148 -6.667 2.116 1.00 . A A . 10 MET CA 1 1 19 2836 1 1 10 MET CB C 1.963 -5.508 3.097 1.00 . A A . 10 MET CB 1 1 19 2837 1 1 10 MET CE C 2.371 -2.539 1.310 1.00 . A A . 10 MET CE 1 1 19 2838 1 1 10 MET CG C 3.119 -4.521 3.096 1.00 . A A . 10 MET CG 1 1 19 2839 1 1 10 MET H H 1.965 -5.267 0.507 1.00 . A A . 10 MET H 1 1 19 2840 1 1 10 MET HA H 3.028 -7.237 2.415 1.00 . A A . 10 MET HA 1 1 19 2841 1 1 10 MET HB2 H 1.052 -4.972 2.830 1.00 . A A . 10 MET HB2 1 1 19 2842 1 1 10 MET HB3 H 1.849 -5.914 4.102 1.00 . A A . 10 MET HB3 1 1 19 2843 1 1 10 MET HE1 H 3.158 -3.069 0.772 1.00 . A A . 10 MET HE1 1 1 19 2844 1 1 10 MET HE2 H 2.438 -1.473 1.094 1.00 . A A . 10 MET HE2 1 1 19 2845 1 1 10 MET HE3 H 1.398 -2.914 0.992 1.00 . A A . 10 MET HE3 1 1 19 2846 1 1 10 MET HG2 H 3.724 -4.684 3.988 1.00 . A A . 10 MET HG2 1 1 19 2847 1 1 10 MET HG3 H 3.733 -4.703 2.214 1.00 . A A . 10 MET HG3 1 1 19 2848 1 1 10 MET N N 2.361 -6.159 0.766 1.00 . A A . 10 MET N 1 1 19 2849 1 1 10 MET O O 1.051 -8.771 2.485 1.00 . A A . 10 MET O 1 1 19 2850 1 1 10 MET SD S 2.567 -2.804 3.070 1.00 . A A . 10 MET SD 1 1 20 2851 1 1 1 GLY C C 6.960 6.094 -1.679 1.00 . A A . 1 GLY C 1 1 20 2852 1 1 1 GLY CA C 8.280 5.857 -0.971 1.00 . A A . 1 GLY CA 1 1 20 2853 1 1 1 GLY H1 H 8.925 5.266 0.857 1.00 . A A . 1 GLY H1 1 1 20 2854 1 1 1 GLY H2 H 7.288 5.432 0.743 1.00 . A A . 1 GLY H2 1 1 20 2855 1 1 1 GLY H3 H 8.035 4.130 0.059 1.00 . A A . 1 GLY H3 1 1 20 2856 1 1 1 GLY HA2 H 8.733 6.822 -0.744 1.00 . A A . 1 GLY HA2 1 1 20 2857 1 1 1 GLY HA3 H 8.943 5.301 -1.634 1.00 . A A . 1 GLY HA3 1 1 20 2858 1 1 1 GLY N N 8.120 5.115 0.266 1.00 . A A . 1 GLY N 1 1 20 2859 1 1 1 GLY O O 6.686 7.202 -2.137 1.00 . A A . 1 GLY O 1 1 20 2860 1 1 2 ASN C C 3.727 5.320 -1.405 1.00 . A A . 2 ASN C 1 1 20 2861 1 1 2 ASN CA C 4.846 5.152 -2.429 1.00 . A A . 2 ASN CA 1 1 20 2862 1 1 2 ASN CB C 4.588 3.910 -3.284 1.00 . A A . 2 ASN CB 1 1 20 2863 1 1 2 ASN CG C 4.900 2.623 -2.544 1.00 . A A . 2 ASN CG 1 1 20 2864 1 1 2 ASN H H 6.426 4.167 -1.371 1.00 . A A . 2 ASN H 1 1 20 2865 1 1 2 ASN HA H 4.855 6.026 -3.080 1.00 . A A . 2 ASN HA 1 1 20 2866 1 1 2 ASN HB2 H 3.538 3.899 -3.577 1.00 . A A . 2 ASN HB2 1 1 20 2867 1 1 2 ASN HB3 H 5.206 3.962 -4.180 1.00 . A A . 2 ASN HB3 1 1 20 2868 1 1 2 ASN HD21 H 6.195 2.058 -4.003 1.00 . A A . 2 ASN HD21 1 1 20 2869 1 1 2 ASN HD22 H 6.023 0.935 -2.672 1.00 . A A . 2 ASN HD22 1 1 20 2870 1 1 2 ASN N N 6.143 5.051 -1.769 1.00 . A A . 2 ASN N 1 1 20 2871 1 1 2 ASN ND2 N 5.776 1.807 -3.119 1.00 . A A . 2 ASN ND2 1 1 20 2872 1 1 2 ASN O O 3.716 4.658 -0.367 1.00 . A A . 2 ASN O 1 1 20 2873 1 1 2 ASN OD1 O 4.360 2.366 -1.468 1.00 . A A . 2 ASN OD1 1 1 20 2874 1 1 3 HIS C C 0.637 5.335 -0.895 1.00 . A A . 3 HIS C 1 1 20 2875 1 1 3 HIS CA C 1.661 6.463 -0.814 1.00 . A A . 3 HIS CA 1 1 20 2876 1 1 3 HIS CB C 0.996 7.794 -1.161 1.00 . A A . 3 HIS CB 1 1 20 2877 1 1 3 HIS CD2 C -0.139 7.849 1.174 1.00 . A A . 3 HIS CD2 1 1 20 2878 1 1 3 HIS CE1 C -1.171 9.768 0.960 1.00 . A A . 3 HIS CE1 1 1 20 2879 1 1 3 HIS CG C 0.143 8.358 -0.059 1.00 . A A . 3 HIS CG 1 1 20 2880 1 1 3 HIS H H 2.850 6.720 -2.576 1.00 . A A . 3 HIS H 1 1 20 2881 1 1 3 HIS HA H 2.036 6.519 0.208 1.00 . A A . 3 HIS HA 1 1 20 2882 1 1 3 HIS HB2 H 1.778 8.517 -1.393 1.00 . A A . 3 HIS HB2 1 1 20 2883 1 1 3 HIS HB3 H 0.376 7.654 -2.046 1.00 . A A . 3 HIS HB3 1 1 20 2884 1 1 3 HIS HD2 H 0.220 6.915 1.580 1.00 . A A . 3 HIS HD2 1 1 20 2885 1 1 3 HIS HE1 H -1.783 10.633 1.172 1.00 . A A . 3 HIS HE1 1 1 20 2886 1 1 3 HIS HE2 H -1.356 8.664 2.736 1.00 . A A . 3 HIS HE2 1 1 20 2887 1 1 3 HIS N N 2.785 6.209 -1.707 1.00 . A A . 3 HIS N 1 1 20 2888 1 1 3 HIS ND1 N -0.517 9.569 -0.175 1.00 . A A . 3 HIS ND1 1 1 20 2889 1 1 3 HIS NE2 N -0.971 8.753 1.807 1.00 . A A . 3 HIS NE2 1 1 20 2890 1 1 3 HIS O O 0.429 4.603 0.073 1.00 . A A . 3 HIS O 1 1 20 2891 1 1 4 TRP C C -0.345 2.838 -2.631 1.00 . A A . 4 TRP C 1 1 20 2892 1 1 4 TRP CA C -1.002 4.162 -2.258 1.00 . A A . 4 TRP CA 1 1 20 2893 1 1 4 TRP CB C -1.985 4.583 -3.351 1.00 . A A . 4 TRP CB 1 1 20 2894 1 1 4 TRP CD1 C -0.197 4.681 -5.184 1.00 . A A . 4 TRP CD1 1 1 20 2895 1 1 4 TRP CD2 C -2.163 3.845 -5.859 1.00 . A A . 4 TRP CD2 1 1 20 2896 1 1 4 TRP CE2 C -1.275 3.844 -6.953 1.00 . A A . 4 TRP CE2 1 1 20 2897 1 1 4 TRP CE3 C -3.461 3.363 -6.045 1.00 . A A . 4 TRP CE3 1 1 20 2898 1 1 4 TRP CG C -1.453 4.384 -4.738 1.00 . A A . 4 TRP CG 1 1 20 2899 1 1 4 TRP CH2 C -2.923 2.913 -8.365 1.00 . A A . 4 TRP CH2 1 1 20 2900 1 1 4 TRP CZ2 C -1.646 3.379 -8.212 1.00 . A A . 4 TRP CZ2 1 1 20 2901 1 1 4 TRP CZ3 C -3.828 2.902 -7.295 1.00 . A A . 4 TRP CZ3 1 1 20 2902 1 1 4 TRP H H 0.217 5.834 -2.809 1.00 . A A . 4 TRP H 1 1 20 2903 1 1 4 TRP HA H -1.555 4.025 -1.329 1.00 . A A . 4 TRP HA 1 1 20 2904 1 1 4 TRP HB2 H -2.902 4.005 -3.240 1.00 . A A . 4 TRP HB2 1 1 20 2905 1 1 4 TRP HB3 H -2.217 5.640 -3.218 1.00 . A A . 4 TRP HB3 1 1 20 2906 1 1 4 TRP HD1 H 0.591 5.106 -4.580 1.00 . A A . 4 TRP HD1 1 1 20 2907 1 1 4 TRP HE1 H 0.746 4.482 -7.079 1.00 . A A . 4 TRP HE1 1 1 20 2908 1 1 4 TRP HE3 H -4.165 3.351 -5.226 1.00 . A A . 4 TRP HE3 1 1 20 2909 1 1 4 TRP HH2 H -3.240 2.546 -9.330 1.00 . A A . 4 TRP HH2 1 1 20 2910 1 1 4 TRP HZ2 H -0.950 3.386 -9.038 1.00 . A A . 4 TRP HZ2 1 1 20 2911 1 1 4 TRP HZ3 H -4.829 2.527 -7.450 1.00 . A A . 4 TRP HZ3 1 1 20 2912 1 1 4 TRP N N 0.001 5.201 -2.052 1.00 . A A . 4 TRP N 1 1 20 2913 1 1 4 TRP NE1 N -0.083 4.359 -6.515 1.00 . A A . 4 TRP NE1 1 1 20 2914 1 1 4 TRP O O 0.871 2.686 -2.521 1.00 . A A . 4 TRP O 1 1 20 2915 1 1 5 ALA C C -0.069 -0.170 -2.267 1.00 . A A . 5 ALA C 1 1 20 2916 1 1 5 ALA CA C -0.653 0.572 -3.464 1.00 . A A . 5 ALA CA 1 1 20 2917 1 1 5 ALA CB C 0.391 0.714 -4.561 1.00 . A A . 5 ALA CB 1 1 20 2918 1 1 5 ALA H H -2.147 2.070 -3.140 1.00 . A A . 5 ALA H 1 1 20 2919 1 1 5 ALA HA H -1.485 -0.012 -3.857 1.00 . A A . 5 ALA HA 1 1 20 2920 1 1 5 ALA HB1 H 0.210 -0.033 -5.334 1.00 . A A . 5 ALA HB1 1 1 20 2921 1 1 5 ALA HB2 H 0.327 1.711 -4.997 1.00 . A A . 5 ALA HB2 1 1 20 2922 1 1 5 ALA HB3 H 1.385 0.566 -4.138 1.00 . A A . 5 ALA HB3 1 1 20 2923 1 1 5 ALA N N -1.157 1.883 -3.073 1.00 . A A . 5 ALA N 1 1 20 2924 1 1 5 ALA O O 0.878 -0.945 -2.407 1.00 . A A . 5 ALA O 1 1 20 2925 1 1 6 VAL C C -0.991 -1.825 0.435 1.00 . A A . 6 VAL C 1 1 20 2926 1 1 6 VAL CA C -0.174 -0.575 0.133 1.00 . A A . 6 VAL CA 1 1 20 2927 1 1 6 VAL CB C -0.250 0.381 1.335 1.00 . A A . 6 VAL CB 1 1 20 2928 1 1 6 VAL CG1 C 0.622 1.605 1.101 1.00 . A A . 6 VAL CG1 1 1 20 2929 1 1 6 VAL CG2 C -1.691 0.786 1.605 1.00 . A A . 6 VAL CG2 1 1 20 2930 1 1 6 VAL H H -1.413 0.719 -1.041 1.00 . A A . 6 VAL H 1 1 20 2931 1 1 6 VAL HA H 0.866 -0.869 -0.007 1.00 . A A . 6 VAL HA 1 1 20 2932 1 1 6 VAL HB H 0.127 -0.144 2.213 1.00 . A A . 6 VAL HB 1 1 20 2933 1 1 6 VAL HG11 H 1.648 1.290 0.910 1.00 . A A . 6 VAL HG11 1 1 20 2934 1 1 6 VAL HG12 H 0.597 2.243 1.984 1.00 . A A . 6 VAL HG12 1 1 20 2935 1 1 6 VAL HG13 H 0.246 2.160 0.241 1.00 . A A . 6 VAL HG13 1 1 20 2936 1 1 6 VAL HG21 H -2.295 -0.106 1.769 1.00 . A A . 6 VAL HG21 1 1 20 2937 1 1 6 VAL HG22 H -1.730 1.419 2.491 1.00 . A A . 6 VAL HG22 1 1 20 2938 1 1 6 VAL HG23 H -2.081 1.336 0.748 1.00 . A A . 6 VAL HG23 1 1 20 2939 1 1 6 VAL N N -0.639 0.072 -1.090 1.00 . A A . 6 VAL N 1 1 20 2940 1 1 6 VAL O O -1.076 -2.260 1.584 1.00 . A A . 6 VAL O 1 1 20 2941 1 1 7 GLY C C -2.081 -4.664 -1.452 1.00 . A A . 7 GLY C 1 1 20 2942 1 1 7 GLY CA C -2.396 -3.596 -0.423 1.00 . A A . 7 GLY CA 1 1 20 2943 1 1 7 GLY H H -1.491 -2.000 -1.523 1.00 . A A . 7 GLY H 1 1 20 2944 1 1 7 GLY HA2 H -2.215 -3.999 0.573 1.00 . A A . 7 GLY HA2 1 1 20 2945 1 1 7 GLY HA3 H -3.449 -3.327 -0.510 1.00 . A A . 7 GLY HA3 1 1 20 2946 1 1 7 GLY N N -1.593 -2.400 -0.601 1.00 . A A . 7 GLY N 1 1 20 2947 1 1 7 GLY O O -2.978 -5.362 -1.926 1.00 . A A . 7 GLY O 1 1 20 2948 1 1 8 HIS C C 0.912 -6.468 -2.328 1.00 . A A . 8 HIS C 1 1 20 2949 1 1 8 HIS CA C -0.374 -5.782 -2.779 1.00 . A A . 8 HIS CA 1 1 20 2950 1 1 8 HIS CB C -0.161 -5.121 -4.142 1.00 . A A . 8 HIS CB 1 1 20 2951 1 1 8 HIS CD2 C -1.208 -2.855 -4.861 1.00 . A A . 8 HIS CD2 1 1 20 2952 1 1 8 HIS CE1 C -3.295 -3.504 -4.951 1.00 . A A . 8 HIS CE1 1 1 20 2953 1 1 8 HIS CG C -1.265 -4.174 -4.525 1.00 . A A . 8 HIS CG 1 1 20 2954 1 1 8 HIS H H -0.115 -4.187 -1.374 1.00 . A A . 8 HIS H 1 1 20 2955 1 1 8 HIS HA H -1.155 -6.536 -2.876 1.00 . A A . 8 HIS HA 1 1 20 2956 1 1 8 HIS HB2 H 0.776 -4.566 -4.114 1.00 . A A . 8 HIS HB2 1 1 20 2957 1 1 8 HIS HB3 H -0.086 -5.899 -4.902 1.00 . A A . 8 HIS HB3 1 1 20 2958 1 1 8 HIS HD2 H -0.319 -2.244 -4.910 1.00 . A A . 8 HIS HD2 1 1 20 2959 1 1 8 HIS HE1 H -4.366 -3.495 -5.086 1.00 . A A . 8 HIS HE1 1 1 20 2960 1 1 8 HIS HE2 H -2.792 -1.519 -5.403 1.00 . A A . 8 HIS HE2 1 1 20 2961 1 1 8 HIS N N -0.804 -4.791 -1.799 1.00 . A A . 8 HIS N 1 1 20 2962 1 1 8 HIS ND1 N -2.592 -4.567 -4.588 1.00 . A A . 8 HIS ND1 1 1 20 2963 1 1 8 HIS NE2 N -2.502 -2.446 -5.127 1.00 . A A . 8 HIS NE2 1 1 20 2964 1 1 8 HIS O O 0.969 -7.695 -2.226 1.00 . A A . 8 HIS O 1 1 20 2965 1 1 9 LEU C C 3.093 -6.904 -0.272 1.00 . A A . 9 LEU C 1 1 20 2966 1 1 9 LEU CA C 3.226 -6.204 -1.621 1.00 . A A . 9 LEU CA 1 1 20 2967 1 1 9 LEU CB C 4.259 -5.079 -1.526 1.00 . A A . 9 LEU CB 1 1 20 2968 1 1 9 LEU CD1 C 5.653 -4.868 -3.599 1.00 . A A . 9 LEU CD1 1 1 20 2969 1 1 9 LEU CD2 C 6.734 -4.721 -1.347 1.00 . A A . 9 LEU CD2 1 1 20 2970 1 1 9 LEU CG C 5.621 -5.364 -2.161 1.00 . A A . 9 LEU CG 1 1 20 2971 1 1 9 LEU H H 1.830 -4.673 -2.165 1.00 . A A . 9 LEU H 1 1 20 2972 1 1 9 LEU HA H 3.571 -6.931 -2.357 1.00 . A A . 9 LEU HA 1 1 20 2973 1 1 9 LEU HB2 H 3.840 -4.200 -2.016 1.00 . A A . 9 LEU HB2 1 1 20 2974 1 1 9 LEU HB3 H 4.414 -4.844 -0.473 1.00 . A A . 9 LEU HB3 1 1 20 2975 1 1 9 LEU HD11 H 4.849 -5.340 -4.165 1.00 . A A . 9 LEU HD11 1 1 20 2976 1 1 9 LEU HD12 H 5.520 -3.786 -3.613 1.00 . A A . 9 LEU HD12 1 1 20 2977 1 1 9 LEU HD13 H 6.612 -5.122 -4.050 1.00 . A A . 9 LEU HD13 1 1 20 2978 1 1 9 LEU HD21 H 6.694 -5.089 -0.322 1.00 . A A . 9 LEU HD21 1 1 20 2979 1 1 9 LEU HD22 H 7.699 -4.975 -1.786 1.00 . A A . 9 LEU HD22 1 1 20 2980 1 1 9 LEU HD23 H 6.607 -3.638 -1.350 1.00 . A A . 9 LEU HD23 1 1 20 2981 1 1 9 LEU HG H 5.779 -6.443 -2.166 1.00 . A A . 9 LEU HG 1 1 20 2982 1 1 9 LEU N N 1.940 -5.672 -2.061 1.00 . A A . 9 LEU N 1 1 20 2983 1 1 9 LEU O O 3.671 -7.967 -0.055 1.00 . A A . 9 LEU O 1 1 20 2984 1 1 10 MET C C 0.632 -6.889 2.308 1.00 . A A . 10 MET C 1 1 20 2985 1 1 10 MET CA C 2.116 -6.866 1.956 1.00 . A A . 10 MET CA 1 1 20 2986 1 1 10 MET CB C 2.888 -6.064 3.006 1.00 . A A . 10 MET CB 1 1 20 2987 1 1 10 MET CE C 2.311 -2.827 0.932 1.00 . A A . 10 MET CE 1 1 20 2988 1 1 10 MET CG C 2.497 -4.596 3.058 1.00 . A A . 10 MET CG 1 1 20 2989 1 1 10 MET H H 1.881 -5.424 0.391 1.00 . A A . 10 MET H 1 1 20 2990 1 1 10 MET HA H 2.489 -7.890 1.958 1.00 . A A . 10 MET HA 1 1 20 2991 1 1 10 MET HB2 H 2.699 -6.506 3.984 1.00 . A A . 10 MET HB2 1 1 20 2992 1 1 10 MET HB3 H 3.954 -6.136 2.788 1.00 . A A . 10 MET HB3 1 1 20 2993 1 1 10 MET HE1 H 2.802 -2.160 0.223 1.00 . A A . 10 MET HE1 1 1 20 2994 1 1 10 MET HE2 H 1.597 -2.260 1.530 1.00 . A A . 10 MET HE2 1 1 20 2995 1 1 10 MET HE3 H 1.787 -3.613 0.388 1.00 . A A . 10 MET HE3 1 1 20 2996 1 1 10 MET HG2 H 1.460 -4.495 2.738 1.00 . A A . 10 MET HG2 1 1 20 2997 1 1 10 MET HG3 H 2.585 -4.248 4.087 1.00 . A A . 10 MET HG3 1 1 20 2998 1 1 10 MET N N 2.327 -6.298 0.630 1.00 . A A . 10 MET N 1 1 20 2999 1 1 10 MET O O 0.131 -7.866 2.867 1.00 . A A . 10 MET O 1 1 20 3000 1 1 10 MET SD S 3.538 -3.563 2.008 1.00 . A A . 10 MET SD 1 1 stop_ save_
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