NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
473975 | 2ktn | 16709 | cing | 4-filtered-FRED | STAR | entry | full | 204 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2ktn # This FRED archive file contains, for PDB entry <2ktn>: # # - 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.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_2ktn _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2ktn _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all other bound" _Assembly.Molecular_mass 3235.84 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 $Lichenicidin_prepeptide A . 1 1 stop_ save_ save_Lichenicidin_prepeptide _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Lichenicidin prepeptide" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code XIXLXXCAILXKPLGNNGYLCXVXKECMPSCN _Entity.Number_of_monomers 32 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 2KT $2KT 1 1 2 ILE . 1 1 3 . $. 1 1 4 LEU . 1 1 5 DHA $DHA 1 1 6 DBU $DBU 1 1 7 CYS . 1 1 8 ALA . 1 1 9 ILE . 1 1 10 LEU . 1 1 11 DAL $DAL 1 1 12 LYS . 1 1 13 PRO . 1 1 14 LEU . 1 1 15 GLY . 1 1 16 ASN . 1 1 17 ASN . 1 1 18 GLY . 1 1 19 TYR . 1 1 20 LEU . 1 1 21 CYS . 1 1 22 . $. 1 1 23 VAL . 1 1 24 . $. 1 1 25 LYS . 1 1 26 GLU . 1 1 27 CYS . 1 1 28 MET . 1 1 29 PRO . 1 1 30 SER . 1 1 31 CYS . 1 1 32 ASN . 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 2KT 1 1 1 1 ILE 2 2 1 1 . 3 3 1 1 LEU 4 4 1 1 DHA 5 5 1 1 DBU 6 6 1 1 CYS 7 7 1 1 ALA 8 8 1 1 ILE 9 9 1 1 LEU 10 10 1 1 DAL 11 11 1 1 LYS 12 12 1 1 PRO 13 13 1 1 LEU 14 14 1 1 GLY 15 15 1 1 ASN 16 16 1 1 ASN 17 17 1 1 GLY 18 18 1 1 TYR 19 19 1 1 LEU 20 20 1 1 CYS 21 21 1 1 . 22 22 1 1 VAL 23 23 1 1 . 24 24 1 1 LYS 25 25 1 1 GLU 26 26 1 1 CYS 27 27 1 1 MET 28 28 1 1 PRO 29 29 1 1 SER 30 30 1 1 CYS 31 31 1 1 ASN 32 32 1 1 stop_ save_ save_DAL _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID DAL _Chem_comp.Type non-polymer save_ save_2KT _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID 2KT _Chem_comp.Type non-polymer save_ save_. _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID . _Chem_comp.Type non-polymer save_ save_DBU _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID DBU _Chem_comp.Type non-polymer save_ save_DHA _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID DHA _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 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 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 28 MET QB . 37 MET QB 1 1 1 1 2 1 1 31 CYS HB2 . 40 CYSS HB3 1 1 2 1 1 1 1 25 LYS HA . 34 LYS HA 1 1 2 1 2 1 1 31 CYS HB2 . 40 CYSS HB3 1 1 3 1 1 1 1 25 LYS HA . 34 LYS HA 1 1 3 1 2 1 1 31 CYS HB3 . 40 CYSS HB2 1 1 4 1 1 1 1 7 CYS HA . 16 CYSS HA 1 1 4 1 2 1 1 9 ILE H . 18 ILE H 1 1 5 1 1 1 1 13 PRO HA . 22 PRO HA 1 1 5 1 2 1 1 14 LEU H . 23 LEU H 1 1 6 1 1 1 1 9 ILE H . 18 ILE H 1 1 6 1 2 1 1 9 ILE HG12 . 18 ILE HG12 1 1 7 1 1 1 1 25 LYS H . 34 LYS H 1 1 7 1 2 1 1 31 CYS HB3 . 40 CYSS HB2 1 1 8 1 1 1 1 31 CYS H . 40 CYSS H 1 1 8 1 2 1 1 31 CYS HB3 . 40 CYSS HB2 1 1 9 1 1 1 1 14 LEU HA . 23 LEU HA 1 1 9 1 2 1 1 15 GLY H . 24 GLY H 1 1 10 1 1 1 1 14 LEU HA . 23 LEU HA 1 1 10 1 2 1 1 14 LEU HB2 . 23 LEU HB2 1 1 11 1 1 1 1 13 PRO HD2 . 22 PRO HD2 1 1 11 1 2 1 1 13 PRO QG . 22 PRO HG3 1 1 12 1 1 1 1 13 PRO QB . 22 PRO HB2 1 1 12 1 2 1 1 13 PRO HD2 . 22 PRO HD2 1 1 13 1 1 1 1 29 PRO QB . 38 PRO HB3 1 1 13 1 2 1 1 29 PRO QD . 38 PRO HD3 1 1 14 1 1 1 1 29 PRO QD . 38 PRO HD3 1 1 14 1 2 1 1 30 SER H . 39 SER H 1 1 15 1 1 1 1 26 GLU H . 35 GLU H 1 1 15 1 2 1 1 28 MET H . 37 MET H 1 1 16 1 1 1 1 27 CYS H . 36 CYSS H 1 1 16 1 2 1 1 28 MET H . 37 MET H 1 1 17 1 1 1 1 8 ALA HA . 17 ALA HA 1 1 17 1 2 1 1 9 ILE H . 18 ILE H 1 1 18 1 1 1 1 8 ALA MB . 17 ALA QB 1 1 18 1 2 1 1 9 ILE H . 18 ILE H 1 1 19 1 1 1 1 8 ALA H . 17 ALA H 1 1 19 1 2 1 1 8 ALA MB . 17 ALA QB 1 1 20 1 1 1 1 15 GLY QA . 24 GLY HA3 1 1 20 1 2 1 1 16 ASN H . 25 ASN H 1 1 21 1 1 1 1 4 LEU HA . 13 LEU HA 1 1 21 1 2 1 1 4 LEU HB3 . 13 LEU HB2 1 1 22 1 1 1 1 9 ILE HA . 18 ILE HA 1 1 22 1 2 1 1 9 ILE HG12 . 18 ILE HG12 1 1 23 1 1 1 1 9 ILE HA . 18 ILE HA 1 1 23 1 2 1 1 10 LEU H . 19 LEU H 1 1 24 1 1 1 1 4 LEU H . 13 LEU H 1 1 24 1 2 1 1 4 LEU HG . 13 LEU HG 1 1 25 1 1 1 1 2 ILE H . 11 ILE H 1 1 25 1 2 1 1 2 ILE HG13 . 11 ILE HG13 1 1 26 1 1 1 1 29 PRO QB . 38 PRO HB3 1 1 26 1 2 1 1 30 SER H . 39 SER H 1 1 27 1 1 1 1 25 LYS H . 34 LYS H 1 1 27 1 2 1 1 26 GLU H . 35 GLU H 1 1 28 1 1 1 1 10 LEU H . 19 LEU H 1 1 28 1 2 1 1 10 LEU HB2 . 19 LEU HB2 1 1 29 1 1 1 1 9 ILE H . 18 ILE H 1 1 29 1 2 1 1 10 LEU H . 19 LEU H 1 1 30 1 1 1 1 8 ALA H . 17 ALA H 1 1 30 1 2 1 1 9 ILE H . 18 ILE H 1 1 31 1 1 1 1 18 GLY QA . 27 GLY HA2 1 1 31 1 2 1 1 19 TYR H . 28 TYR H 1 1 32 1 1 1 1 25 LYS HB2 . 34 LYS HB2 1 1 32 1 2 1 1 26 GLU H . 35 GLU H 1 1 33 1 1 1 1 25 LYS H . 34 LYS H 1 1 33 1 2 1 1 25 LYS HB2 . 34 LYS HB2 1 1 34 1 1 1 1 23 VAL H . 32 VAL H 1 1 34 1 2 1 1 23 VAL HB . 32 VAL HB 1 1 35 1 1 1 1 30 SER H . 39 SER H 1 1 35 1 2 1 1 30 SER QB . 39 SER HB3 1 1 36 1 1 1 1 30 SER QB . 39 SER HB3 1 1 36 1 2 1 1 31 CYS H . 40 CYSS H 1 1 37 1 1 1 1 27 CYS QB . 36 CYSS QB 1 1 37 1 2 1 1 28 MET H . 37 MET H 1 1 38 1 1 1 1 27 CYS H . 36 CYSS H 1 1 38 1 2 1 1 27 CYS QB . 36 CYSS QB 1 1 39 1 1 1 1 30 SER HA . 39 SER HA 1 1 39 1 2 1 1 31 CYS H . 40 CYSS H 1 1 40 1 1 1 1 17 ASN QB . 26 ASN HB2 1 1 40 1 2 1 1 17 ASN HD21 . 26 ASN HD21 1 1 41 1 1 1 1 17 ASN QB . 26 ASN HB2 1 1 41 1 2 1 1 17 ASN HD22 . 26 ASN HD22 1 1 42 1 1 1 1 11 DAL HA . 20 DAL HA 1 1 42 1 2 1 1 12 LYS H . 21 LYS H 1 1 43 1 1 1 1 21 CYS HA . 30 CYSS HA 1 1 43 1 2 1 1 21 CYS QB . 30 CYSS HB2 1 1 44 1 1 1 1 18 GLY H . 27 GLY H 1 1 44 1 2 1 1 19 TYR H . 28 TYR H 1 1 45 1 1 1 1 10 LEU H . 19 LEU H 1 1 45 1 2 1 1 11 DAL H . 20 CYSS H 1 1 46 1 1 1 1 10 LEU H . 19 LEU H 1 1 46 1 2 1 1 10 LEU HB3 . 19 LEU HB3 1 1 47 1 1 1 1 28 MET HA . 37 MET HA 1 1 47 1 2 1 1 29 PRO QD . 38 PRO HD3 1 1 48 1 1 1 1 27 CYS QB . 36 CYSS QB 1 1 48 1 2 1 1 28 MET HA . 37 MET HA 1 1 49 1 1 1 1 28 MET HA . 37 MET HA 1 1 49 1 2 1 1 30 SER H . 39 SER H 1 1 50 1 1 1 1 16 ASN HB3 . 25 ASN HB3 1 1 50 1 2 1 1 16 ASN HD22 . 25 ASN HD22 1 1 51 1 1 1 1 16 ASN H . 25 ASN H 1 1 51 1 2 1 1 16 ASN HB3 . 25 ASN HB3 1 1 52 1 1 1 1 16 ASN HB3 . 25 ASN HB3 1 1 52 1 2 1 1 16 ASN HD21 . 25 ASN HD21 1 1 53 1 1 1 1 20 LEU HA . 29 LEU HA 1 1 53 1 2 1 1 21 CYS H . 30 CYSS H 1 1 54 1 1 1 1 17 ASN H . 26 ASN H 1 1 54 1 2 1 1 17 ASN HA . 26 ASN HA 1 1 55 1 1 1 1 29 PRO QG . 38 PRO QG 1 1 55 1 2 1 1 30 SER H . 39 SER H 1 1 56 1 1 1 1 19 TYR HA . 28 TYR HA 1 1 56 1 2 1 1 20 LEU H . 29 LEU H 1 1 57 1 1 1 1 13 PRO QB . 22 PRO HB3 1 1 57 1 2 1 1 14 LEU H . 23 LEU H 1 1 58 1 1 1 1 23 VAL H . 32 VAL H 1 1 58 1 2 1 1 23 VAL QG . 32 VAL QG2 1 1 59 1 1 1 1 26 GLU HA . 35 GLU HA 1 1 59 1 2 1 1 26 GLU QG . 35 GLU QG 1 1 60 1 1 1 1 26 GLU HA . 35 GLU HA 1 1 60 1 2 1 1 27 CYS H . 36 CYSS H 1 1 61 1 1 1 1 26 GLU H . 35 GLU H 1 1 61 1 2 1 1 26 GLU QG . 35 GLU QG 1 1 62 1 1 1 1 26 GLU QG . 35 GLU QG 1 1 62 1 2 1 1 27 CYS H . 36 CYSS H 1 1 63 1 1 1 1 9 ILE HB . 18 ILE HB 1 1 63 1 2 1 1 10 LEU H . 19 LEU H 1 1 64 1 1 1 1 9 ILE H . 18 ILE H 1 1 64 1 2 1 1 9 ILE HB . 18 ILE HB 1 1 65 1 1 1 1 2 ILE H . 11 ILE H 1 1 65 1 2 1 1 2 ILE HG12 . 11 ILE HG12 1 1 66 1 1 1 1 10 LEU HA . 19 LEU HA 1 1 66 1 2 1 1 10 LEU HB2 . 19 LEU HB2 1 1 67 1 1 1 1 10 LEU HA . 19 LEU HA 1 1 67 1 2 1 1 10 LEU HB3 . 19 LEU HB3 1 1 68 1 1 1 1 10 LEU HA . 19 LEU HA 1 1 68 1 2 1 1 11 DAL H . 20 DAL H 1 1 69 1 1 1 1 21 CYS H . 30 CYSS H 1 1 69 1 2 1 1 21 CYS QB . 30 CYSS HB2 1 1 70 1 1 1 1 25 LYS HA . 34 LYS HA 1 1 70 1 2 1 1 28 MET H . 37 MET H 1 1 71 1 1 1 1 25 LYS HA . 34 LYS HA 1 1 71 1 2 1 1 26 GLU H . 35 GLU H 1 1 72 1 1 1 1 25 LYS HA . 34 LYS HA 1 1 72 1 2 1 1 27 CYS H . 36 CYSS H 1 1 73 1 1 1 1 25 LYS HA . 34 LYS HA 1 1 73 1 2 1 1 25 LYS HB3 . 34 LYS HB3 1 1 74 1 1 1 1 12 LYS HA . 21 LYS HA 1 1 74 1 2 1 1 12 LYS QG . 21 LYS HG3 1 1 75 1 1 1 1 26 GLU H . 35 GLU H 1 1 75 1 2 1 1 27 CYS H . 36 CYSS H 1 1 76 1 1 1 1 9 ILE H . 18 ILE H 1 1 76 1 2 1 1 11 DAL HA . 20 DAL HA 1 1 77 1 1 1 1 11 DAL H . 20 DAL H 1 1 77 1 2 1 1 11 DAL HA . 20 DAL HA 1 1 78 1 1 1 1 7 CYS QB . 16 CYSS QB 1 1 78 1 2 1 1 8 ALA H . 17 ALA H 1 1 79 1 1 1 1 7 CYS H . 16 CYSS H 1 1 79 1 2 1 1 7 CYS QB . 16 CYSS QB 1 1 80 1 1 1 1 31 CYS H . 40 CYSS H 1 1 80 1 2 1 1 31 CYS HB2 . 40 CYSS HB3 1 1 81 1 1 1 1 13 PRO QB . 22 PRO HB3 1 1 81 1 2 1 1 13 PRO HD3 . 22 PRO HD3 1 1 82 1 1 1 1 30 SER H . 39 SER H 1 1 82 1 2 1 1 31 CYS H . 40 CYSS H 1 1 83 1 1 1 1 14 LEU HB3 . 23 LEU HB3 1 1 83 1 2 1 1 15 GLY H . 24 GLY H 1 1 84 1 1 1 1 14 LEU H . 23 LEU H 1 1 84 1 2 1 1 14 LEU HB3 . 23 LEU HB3 1 1 85 1 1 1 1 23 VAL H . 32 VAL H 1 1 85 1 2 1 1 23 VAL HA . 32 VAL HA 1 1 86 1 1 1 1 25 LYS H . 34 LYS H 1 1 86 1 2 1 1 25 LYS QG . 34 LYS QG 1 1 87 1 1 1 1 25 LYS QG . 34 LYS QG 1 1 87 1 2 1 1 31 CYS H . 40 CYSS H 1 1 88 1 1 1 1 16 ASN HB2 . 25 ASN HB2 1 1 88 1 2 1 1 16 ASN HD22 . 25 ASN HD22 1 1 89 1 1 1 1 16 ASN HB2 . 25 ASN HB2 1 1 89 1 2 1 1 16 ASN HD21 . 25 ASN HD21 1 1 90 1 1 1 1 16 ASN HA . 25 ASN HA 1 1 90 1 2 1 1 17 ASN H . 26 ASN H 1 1 91 1 1 1 1 29 PRO HA . 38 PRO HA 1 1 91 1 2 1 1 29 PRO QG . 38 PRO QG 1 1 92 1 1 1 1 29 PRO HA . 38 PRO HA 1 1 92 1 2 1 1 30 SER H . 39 SER H 1 1 93 1 1 1 1 25 LYS HA . 34 LYS HA 1 1 93 1 2 1 1 31 CYS H . 40 CYSS H 1 1 94 1 1 1 1 4 LEU H . 13 LEU H 1 1 94 1 2 1 1 4 LEU MD2 . 13 LEU QD2 1 1 95 1 1 1 1 2 ILE HA . 11 ILE HA 1 1 95 1 2 1 1 4 LEU H . 13 LEU H 1 1 96 1 1 1 1 31 CYS HA . 40 CYSS HA 1 1 96 1 2 1 1 31 CYS HB3 . 40 CYSS HB2 1 1 97 1 1 1 1 31 CYS HA . 40 CYSS HA 1 1 97 1 2 1 1 32 ASN H . 41 ASN H 1 1 98 1 1 1 1 31 CYS HA . 40 CYSS HA 1 1 98 1 2 1 1 31 CYS HB2 . 40 CYSS HB3 1 1 99 1 1 1 1 4 LEU H . 13 LEU H 1 1 99 1 2 1 1 4 LEU HB2 . 13 LEU HB3 1 1 100 1 1 1 1 14 LEU HB2 . 23 LEU HB2 1 1 100 1 2 1 1 15 GLY H . 24 GLY H 1 1 101 1 1 1 1 2 ILE H . 11 ILE H 1 1 101 1 2 1 1 2 ILE HB . 11 ILE HB 1 1 102 1 1 1 1 9 ILE MG . 18 ILE QG2 1 1 102 1 2 1 1 10 LEU H . 19 LEU H 1 1 103 1 1 1 1 9 ILE H . 18 ILE H 1 1 103 1 2 1 1 9 ILE MG . 18 ILE QG2 1 1 104 1 1 1 1 25 LYS QD . 34 LYS HD2 1 1 104 1 2 1 1 31 CYS H . 40 CYSS H 1 1 105 1 1 1 1 25 LYS H . 34 LYS H 1 1 105 1 2 1 1 25 LYS HB3 . 34 LYS HB3 1 1 106 1 1 1 1 25 LYS H . 34 LYS H 1 1 106 1 2 1 1 26 GLU QG . 35 GLU QG 1 1 107 1 1 1 1 26 GLU H . 35 GLU H 1 1 107 1 2 1 1 26 GLU QB . 35 GLU QB 1 1 108 1 1 1 1 26 GLU QB . 35 GLU QB 1 1 108 1 2 1 1 27 CYS H . 36 CYSS H 1 1 109 1 1 1 1 20 LEU H . 29 LEU H 1 1 109 1 2 1 1 20 LEU QB . 29 LEU QB 1 1 110 1 1 1 1 17 ASN H . 26 ASN H 1 1 110 1 2 1 1 17 ASN QB . 26 ASN HB3 1 1 111 1 1 1 1 9 ILE H . 18 ILE H 1 1 111 1 2 1 1 9 ILE HG13 . 18 ILE HG13 1 1 112 1 1 1 1 2 ILE H . 11 ILE H 1 1 112 1 2 1 1 2 ILE MG . 11 ILE QG2 1 1 113 1 1 1 1 8 ALA MB . 17 ALA QB 1 1 113 1 2 1 1 19 TYR QR . 28 TYR QR 1 1 114 1 1 1 1 9 ILE MD . 18 ILE QD1 1 1 114 1 2 1 1 19 TYR QR . 28 TYR QR 1 1 115 1 1 1 1 25 LYS H . 34 LYS H 1 1 115 1 2 1 1 31 CYS H . 40 CYSS H 1 1 116 1 1 1 1 25 LYS H . 34 LYS H 1 1 116 1 2 1 1 31 CYS HA . 40 CYSS HA 1 1 117 1 1 1 1 2 ILE H . 11 ILE H 1 1 117 1 2 1 1 4 LEU QD . 13 LEU QQD 1 1 118 1 1 1 1 9 ILE HA . 18 ILE HA 1 1 118 1 2 1 1 11 DAL H . 20 DAL H 1 1 119 1 1 1 1 13 PRO QB . 22 PRO HB2 1 1 119 1 2 1 1 18 GLY H . 27 GLY H 1 1 120 1 1 1 1 25 LYS QD . 34 LYS HD2 1 1 120 1 2 1 1 30 SER H . 39 SER H 1 1 121 1 1 1 1 14 LEU H . 23 LEU H 1 1 121 1 2 1 1 18 GLY QA . 27 GLY HA2 1 1 122 1 1 1 1 9 ILE HA . 18 ILE HA 1 1 122 1 2 1 1 19 TYR H . 28 TYR H 1 1 123 1 1 1 1 30 SER H . 39 SER H 1 1 123 1 2 1 1 32 ASN H . 41 ASN H 1 1 124 1 1 1 1 12 LYS QG . 21 LYS HG2 1 1 124 1 2 1 1 21 CYS QB . 30 CYSS HB2 1 1 125 1 1 1 1 13 PRO QB . 22 PRO HB2 1 1 125 1 2 1 1 17 ASN QB . 26 ASN HB3 1 1 126 1 1 1 1 30 SER QB . 39 SER HB3 1 1 126 1 2 1 1 32 ASN QB . 41 ASN HB2 1 1 127 1 1 1 1 29 PRO QB . 38 PRO HB2 1 1 127 1 2 1 1 30 SER QB . 39 SER HB2 1 1 128 1 1 1 1 25 LYS QE . 34 LYS HE2 1 1 128 1 2 1 1 30 SER QB . 39 SER HB2 1 1 129 1 1 1 1 9 ILE HA . 18 ILE HA 1 1 129 1 2 1 1 19 TYR QB . 28 TYR HB3 1 1 130 1 1 1 1 13 PRO QB . 22 PRO HB2 1 1 130 1 2 1 1 18 GLY QA . 27 GLY HA2 1 1 131 1 1 1 1 28 MET QB . 37 MET QB 1 1 131 1 2 1 1 31 CYS HA . 40 CYSS HA 1 1 132 1 1 1 1 13 PRO QG . 22 PRO HG2 1 1 132 1 2 1 1 18 GLY QA . 27 GLY HA2 1 1 133 1 1 1 1 8 ALA HA . 17 ALA HA 1 1 133 1 2 1 1 12 LYS QB . 21 LYS HB3 1 1 134 1 1 1 1 14 LEU HG . 23 LEU HG 1 1 134 1 2 1 1 15 GLY QA . 24 GLY HA3 1 1 135 1 1 1 1 8 ALA MB . 17 ALA QB 1 1 135 1 2 1 1 18 GLY QA . 27 GLY HA2 1 1 136 1 1 1 1 12 LYS QG . 21 LYS HG2 1 1 136 1 2 1 1 21 CYS HA . 30 CYSS HA 1 1 137 1 1 1 1 8 ALA HA . 17 ALA HA 1 1 137 1 2 1 1 23 VAL QG . 32 VAL QG2 1 1 138 1 1 1 1 2 ILE MG . 11 ILE QG2 1 1 138 1 2 1 1 18 GLY QA . 27 GLY HA3 1 1 139 1 1 1 1 8 ALA HA . 17 ALA HA 1 1 139 1 2 1 1 12 LYS HA . 21 LYS HA 1 1 140 1 1 1 1 25 LYS QD . 34 LYS HD2 1 1 140 1 2 1 1 30 SER HA . 39 SER HA 1 1 141 1 1 1 1 8 ALA HA . 17 ALA HA 1 1 141 1 2 1 1 12 LYS QG . 21 LYS HG3 1 1 142 1 1 1 1 8 ALA MB . 17 ALA QB 1 1 142 1 2 1 1 15 GLY QA . 24 GLY HA3 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 . . . . . . . 3.8 1 1 2 1 . . . . . . . 3.9 1 1 3 1 . . . . . . . 3.8 1 1 4 1 . . . . . . . 4.0 1 1 5 1 . . . . . . . 3.11 1 1 6 1 . . . . . . . 3.36 1 1 7 1 . . . . . . . 3.58 1 1 8 1 . . . . . . . 3.86 1 1 9 1 . . . . . . . 3.1 1 1 10 1 . . . . . . . 2.97 1 1 11 1 . . . . . . . 2.73 1 1 12 1 . . . . . . . 3.78 1 1 13 1 . . . . . . . 3.36 1 1 14 1 . . . . . . . 3.59 1 1 15 1 . . . . . . . 4.01 1 1 16 1 . . . . . . . 2.54 1 1 17 1 . . . . . . . 3.31 1 1 18 1 . . . . . . . 3.32 1 1 19 1 . . . . . . . 2.74 1 1 20 1 . . . . . . . 3.38 1 1 21 1 . . . . . . . 3.05 1 1 22 1 . . . . . . . 3.77 1 1 23 1 . . . . . . . 3.42 1 1 24 1 . . . . . . . 3.78 1 1 25 1 . . . . . . . 4.43 1 1 26 1 . . . . . . . 3.39 1 1 27 1 . . . . . . . 3.19 1 1 28 1 . . . . . . . 2.7 1 1 29 1 . . . . . . . 2.65 1 1 30 1 . . . . . . . 2.94 1 1 31 1 . . . . . . . 3.22 1 1 32 1 . . . . . . . 3.87 1 1 33 1 . . . . . . . 2.86 1 1 34 1 . . . . . . . 3.08 1 1 35 1 . . . . . . . 3.2 1 1 36 1 . . . . . . . 4.23 1 1 37 1 . . . . . . . 3.09 1 1 38 1 . . . . . . . 2.89 1 1 39 1 . . . . . . . 3.55 1 1 40 1 . . . . . . . 3.26 1 1 41 1 . . . . . . . 3.8 1 1 42 1 . . . . . . . 2.93 1 1 43 1 . . . . . . . 2.76 1 1 44 1 . . . . . . . 2.92 1 1 45 1 . . . . . . . 3.11 1 1 46 1 . . . . . . . 3.27 1 1 47 1 . . . . . . . 2.76 1 1 48 1 . . . . . . . 5.5 1 1 49 1 . . . . . . . 5.5 1 1 50 1 . . . . . . . 4.04 1 1 51 1 . . . . . . . 3.03 1 1 52 1 . . . . . . . 3.61 1 1 53 1 . . . . . . . 2.93 1 1 54 1 . . . . . . . 2.77 1 1 55 1 . . . . . . . 3.35 1 1 56 1 . . . . . . . 2.89 1 1 57 1 . . . . . . . 3.71 1 1 58 1 . . . . . . . 3.21 1 1 59 1 . . . . . . . 2.61 1 1 60 1 . . . . . . . 4.23 1 1 61 1 . . . . . . . 2.7 1 1 62 1 . . . . . . . 3.41 1 1 63 1 . . . . . . . 3.72 1 1 64 1 . . . . . . . 3.12 1 1 65 1 . . . . . . . 3.6 1 1 66 1 . . . . . . . 2.75 1 1 67 1 . . . . . . . 3.04 1 1 68 1 . . . . . . . 2.8 1 1 69 1 . . . . . . . 2.4 1 1 70 1 . . . . . . . 3.37 1 1 71 1 . . . . . . . 3.77 1 1 72 1 . . . . . . . 4.2 1 1 73 1 . . . . . . . 2.88 1 1 74 1 . . . . . . . 3.57 1 1 75 1 . . . . . . . 3.17 1 1 76 1 . . . . . . . 4.85 1 1 77 1 . . . . . . . 2.9 1 1 78 1 . . . . . . . 4.09 1 1 79 1 . . . . . . . 2.9 1 1 80 1 . . . . . . . 2.79 1 1 81 1 . . . . . . . 2.76 1 1 82 1 . . . . . . . 2.93 1 1 83 1 . . . . . . . 3.69 1 1 84 1 . . . . . . . 3.07 1 1 85 1 . . . . . . . 3.05 1 1 86 1 . . . . . . . 3.12 1 1 87 1 . . . . . . . 4.12 1 1 88 1 . . . . . . . 3.56 1 1 89 1 . . . . . . . 3.28 1 1 90 1 . . . . . . . 3.06 1 1 91 1 . . . . . . . 3.15 1 1 92 1 . . . . . . . 4.12 1 1 93 1 . . . . . . . 3.62 1 1 94 1 . . . . . . . 4.54 1 1 95 1 . . . . . . . 4.5 1 1 96 1 . . . . . . . 2.98 1 1 97 1 . . . . . . . 2.78 1 1 98 1 . . . . . . . 2.99 1 1 99 1 . . . . . . . 2.95 1 1 100 1 . . . . . . . 3.39 1 1 101 1 . . . . . . . 3.57 1 1 102 1 . . . . . . . 3.44 1 1 103 1 . . . . . . . 3.42 1 1 104 1 . . . . . . . 3.5 1 1 105 1 . . . . . . . 3.69 1 1 106 1 . . . . . . . 4.54 1 1 107 1 . . . . . . . 3.21 1 1 108 1 . . . . . . . 3.75 1 1 109 1 . . . . . . . 2.72 1 1 110 1 . . . . . . . 3.12 1 1 111 1 . . . . . . . 3.32 1 1 112 1 . . . . . . . 4.42 1 1 113 1 . . . . . . . 5.0 1 1 114 1 . . . . . . . 5.0 1 1 115 1 . . . . . . . 3.0 1 1 116 1 . . . . . . . 3.5 1 1 117 1 . . . . . . . 3.5 1 1 118 1 . . . . . . . 3.5 1 1 119 1 . . . . . . . 3.5 1 1 120 1 . . . . . . . 3.5 1 1 121 1 . . . . . . . 3.5 1 1 122 1 . . . . . . . 3.5 1 1 123 1 . . . . . . . 3.5 1 1 124 1 . . . . . . . 3.5 1 1 125 1 . . . . . . . 3.5 1 1 126 1 . . . . . . . 3.5 1 1 127 1 . . . . . . . 3.5 1 1 128 1 . . . . . . . 3.5 1 1 129 1 . . . . . . . 3.5 1 1 130 1 . . . . . . . 3.5 1 1 131 1 . . . . . . . 3.0 1 1 132 1 . . . . . . . 3.5 1 1 133 1 . . . . . . . 3.5 1 1 134 1 . . . . . . . 3.5 1 1 135 1 . . . . . . . 3.5 1 1 136 1 . . . . . . . 3.5 1 1 137 1 . . . . . . . 3.5 1 1 138 1 . . . . . . . 3.5 1 1 139 1 . . . . . . . 3.5 1 1 140 1 . . . . . . . 3.5 1 1 141 1 . . . . . . . 3.5 1 1 142 1 . . . . . . . 3.5 1 1 stop_ save_ save_DYANA/DIANA_distance_constraints_5_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "disulfide bond" _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 2 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 11 DAL CB . 20 DAL CB 1 2 1 1 2 1 1 21 CYS CB . 30 CYSS CB 1 2 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 . . . . . . . 3.18 1 2 stop_ save_ save_DYANA/DIANA_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 CHI1 1 1 2 ILE N 1 1 2 ILE CA 1 1 2 ILE CB 1 1 2 ILE CG1 -315.0 -35.0 . 11 ILE . . 11 ILE . . 11 ILE . . 11 ILE . 1 1 2 CHI1 1 1 2 ILE N 1 1 2 ILE CA 1 1 2 ILE CB 1 1 2 ILE CG1 -195.0 75.0 . 11 ILE . . 11 ILE . . 11 ILE . . 11 ILE . 1 1 3 CHI1 1 1 2 ILE N 1 1 2 ILE CA 1 1 2 ILE CB 1 1 2 ILE CG1 -65.0 195.0 . 11 ILE . . 11 ILE . . 11 ILE . . 11 ILE . 1 1 4 CHI1 1 1 4 LEU N 1 1 4 LEU CA 1 1 4 LEU CB 1 1 4 LEU CG -89.99999 -30.0 . 13 LEU . . 13 LEU . . 13 LEU . . 13 LEU . 1 1 5 PSI 1 1 4 LEU N 1 1 4 LEU CA 1 1 4 LEU C 1 1 5 DHA N 130.0 179.99998 . 13 LEU . . 13 LEU . . 13 LEU . . 13 LEU . 1 1 6 PHI 1 1 6 DBU C 1 1 7 CYS N 1 1 7 CYS CA 1 1 7 CYS C -85.0 -44.999996 . 16 CYSS . . 16 CYSS . . 16 CYSS . . 16 CYSS . 1 1 7 PSI 1 1 7 CYS N 1 1 7 CYS CA 1 1 7 CYS C 1 1 8 ALA N -85.0 195.0 . 16 CYSS . . 16 CYSS . . 16 CYSS . . 16 CYSS . 1 1 8 PHI 1 1 7 CYS C 1 1 8 ALA N 1 1 8 ALA CA 1 1 8 ALA C 44.999996 305.0 . 17 ALA . . 17 ALA . . 17 ALA . . 17 ALA . 1 1 9 PHI 1 1 7 CYS C 1 1 8 ALA N 1 1 8 ALA CA 1 1 8 ALA C -185.0 65.0 . 17 ALA . . 17 ALA . . 17 ALA . . 17 ALA . 1 1 10 PSI 1 1 8 ALA N 1 1 8 ALA CA 1 1 8 ALA C 1 1 9 ILE N -25.0 85.0 . 17 ALA . . 17 ALA . . 17 ALA . . 17 ALA . 1 1 11 PHI 1 1 8 ALA C 1 1 9 ILE N 1 1 9 ILE CA 1 1 9 ILE C -95.0 -85.0 . 18 ILE . . 18 ILE . . 18 ILE . . 18 ILE . 1 1 12 CHI1 1 1 9 ILE N 1 1 9 ILE CA 1 1 9 ILE CB 1 1 9 ILE CG1 -65.0 -44.999996 . 18 ILE . . 18 ILE . . 18 ILE . . 18 ILE . 1 1 13 PSI 1 1 9 ILE N 1 1 9 ILE CA 1 1 9 ILE C 1 1 10 LEU N -44.999996 -25.0 . 18 ILE . . 18 ILE . . 18 ILE . . 18 ILE . 1 1 14 PHI 1 1 9 ILE C 1 1 10 LEU N 1 1 10 LEU CA 1 1 10 LEU C -95.0 -75.0 . 19 LEU . . 19 LEU . . 19 LEU . . 19 LEU . 1 1 15 CHI1 1 1 12 LYS N 1 1 12 LYS CA 1 1 12 LYS CB 1 1 12 LYS CG 44.999996 75.0 . 21 LYS . . 21 LYS . . 21 LYS . . 21 LYS . 1 1 16 PHI 1 1 13 PRO C 1 1 14 LEU N 1 1 14 LEU CA 1 1 14 LEU C -315.0 -44.999996 . 23 LEU . . 23 LEU . . 23 LEU . . 23 LEU . 1 1 17 PHI 1 1 13 PRO C 1 1 14 LEU N 1 1 14 LEU CA 1 1 14 LEU C -185.0 65.0 . 23 LEU . . 23 LEU . . 23 LEU . . 23 LEU . 1 1 18 CHI1 1 1 14 LEU N 1 1 14 LEU CA 1 1 14 LEU CB 1 1 14 LEU CG -325.0 -25.0 . 23 LEU . . 23 LEU . . 23 LEU . . 23 LEU . 1 1 19 CHI1 1 1 14 LEU N 1 1 14 LEU CA 1 1 14 LEU CB 1 1 14 LEU CG -155.0 95.0 . 23 LEU . . 23 LEU . . 23 LEU . . 23 LEU . 1 1 20 PSI 1 1 14 LEU N 1 1 14 LEU CA 1 1 14 LEU C 1 1 15 GLY N 135.0 195.0 . 23 LEU . . 23 LEU . . 23 LEU . . 23 LEU . 1 1 21 PHI 1 1 14 LEU C 1 1 15 GLY N 1 1 15 GLY CA 1 1 15 GLY C -315.0 -44.999996 . 24 GLY . . 24 GLY . . 24 GLY . . 24 GLY . 1 1 22 PHI 1 1 15 GLY C 1 1 16 ASN N 1 1 16 ASN CA 1 1 16 ASN C -315.0 -44.999996 . 25 ASN . . 25 ASN . . 25 ASN . . 25 ASN . 1 1 23 PHI 1 1 15 GLY C 1 1 16 ASN N 1 1 16 ASN CA 1 1 16 ASN C -185.0 65.0 . 25 ASN . . 25 ASN . . 25 ASN . . 25 ASN . 1 1 24 CHI1 1 1 16 ASN N 1 1 16 ASN CA 1 1 16 ASN CB 1 1 16 ASN CG -325.0 -15.0 . 25 ASN . . 25 ASN . . 25 ASN . . 25 ASN . 1 1 25 CHI1 1 1 16 ASN N 1 1 16 ASN CA 1 1 16 ASN CB 1 1 16 ASN CG -215.0 95.0 . 25 ASN . . 25 ASN . . 25 ASN . . 25 ASN . 1 1 26 PSI 1 1 16 ASN N 1 1 16 ASN CA 1 1 16 ASN C 1 1 17 ASN N 5.0 195.0 . 25 ASN . . 25 ASN . . 25 ASN . . 25 ASN . 1 1 27 PHI 1 1 16 ASN C 1 1 17 ASN N 1 1 17 ASN CA 1 1 17 ASN C -315.0 -44.999996 . 26 ASN . . 26 ASN . . 26 ASN . . 26 ASN . 1 1 28 PHI 1 1 16 ASN C 1 1 17 ASN N 1 1 17 ASN CA 1 1 17 ASN C -185.0 65.0 . 26 ASN . . 26 ASN . . 26 ASN . . 26 ASN . 1 1 29 PHI 1 1 16 ASN C 1 1 17 ASN N 1 1 17 ASN CA 1 1 17 ASN C -95.0 215.0 . 26 ASN . . 26 ASN . . 26 ASN . . 26 ASN . 1 1 30 CHI1 1 1 17 ASN N 1 1 17 ASN CA 1 1 17 ASN CB 1 1 17 ASN CG -325.0 -25.0 . 26 ASN . . 26 ASN . . 26 ASN . . 26 ASN . 1 1 31 CHI1 1 1 17 ASN N 1 1 17 ASN CA 1 1 17 ASN CB 1 1 17 ASN CG -215.0 95.0 . 26 ASN . . 26 ASN . . 26 ASN . . 26 ASN . 1 1 32 PSI 1 1 17 ASN N 1 1 17 ASN CA 1 1 17 ASN C 1 1 18 GLY N -345.0 -5.0 . 26 ASN . . 26 ASN . . 26 ASN . . 26 ASN . 1 1 33 PSI 1 1 17 ASN N 1 1 17 ASN CA 1 1 17 ASN C 1 1 18 GLY N -85.0 195.0 . 26 ASN . . 26 ASN . . 26 ASN . . 26 ASN . 1 1 34 PHI 1 1 17 ASN C 1 1 18 GLY N 1 1 18 GLY CA 1 1 18 GLY C -315.0 -44.999996 . 27 GLY . . 27 GLY . . 27 GLY . . 27 GLY . 1 1 35 PSI 1 1 18 GLY N 1 1 18 GLY CA 1 1 18 GLY C 1 1 19 TYR N -275.0 35.0 . 27 GLY . . 27 GLY . . 27 GLY . . 27 GLY . 1 1 36 PSI 1 1 18 GLY N 1 1 18 GLY CA 1 1 18 GLY C 1 1 19 TYR N -95.0 95.0 . 27 GLY . . 27 GLY . . 27 GLY . . 27 GLY . 1 1 37 PSI 1 1 18 GLY N 1 1 18 GLY CA 1 1 18 GLY C 1 1 19 TYR N -35.0 275.0 . 27 GLY . . 27 GLY . . 27 GLY . . 27 GLY . 1 1 38 PHI 1 1 18 GLY C 1 1 19 TYR N 1 1 19 TYR CA 1 1 19 TYR C -115.00001 -55.0 . 28 TYR . . 28 TYR . . 28 TYR . . 28 TYR . 1 1 39 CHI1 1 1 19 TYR N 1 1 19 TYR CA 1 1 19 TYR CB 1 1 19 TYR CG -210.0 -150.0 . 28 TYR . . 28 TYR . . 28 TYR . . 28 TYR . 1 1 40 PSI 1 1 19 TYR N 1 1 19 TYR CA 1 1 19 TYR C 1 1 20 LEU N -174.99998 -165.0 . 28 TYR . . 28 TYR . . 28 TYR . . 28 TYR . 1 1 41 PHI 1 1 19 TYR C 1 1 20 LEU N 1 1 20 LEU CA 1 1 20 LEU C -185.0 -44.999996 . 29 LEU . . 29 LEU . . 29 LEU . . 29 LEU . 1 1 42 PHI 1 1 19 TYR C 1 1 20 LEU N 1 1 20 LEU CA 1 1 20 LEU C -75.0 195.0 . 29 LEU . . 29 LEU . . 29 LEU . . 29 LEU . 1 1 43 CHI1 1 1 20 LEU N 1 1 20 LEU CA 1 1 20 LEU CB 1 1 20 LEU CG 25.0 325.0 . 29 LEU . . 29 LEU . . 29 LEU . . 29 LEU . 1 1 44 CHI1 1 1 20 LEU N 1 1 20 LEU CA 1 1 20 LEU CB 1 1 20 LEU CG -215.0 95.0 . 29 LEU . . 29 LEU . . 29 LEU . . 29 LEU . 1 1 45 PSI 1 1 20 LEU N 1 1 20 LEU CA 1 1 20 LEU C 1 1 21 CYS N 25.0 195.0 . 29 LEU . . 29 LEU . . 29 LEU . . 29 LEU . 1 1 46 PHI 1 1 20 LEU C 1 1 21 CYS N 1 1 21 CYS CA 1 1 21 CYS C -95.0 -85.0 . 30 CYSS . . 30 CYSS . . 30 CYSS . . 30 CYSS . 1 1 47 CHI1 1 1 23 VAL N 1 1 23 VAL CA 1 1 23 VAL CB 1 1 23 VAL CG1 -195.0 -165.0 . 32 VAL . . 32 VAL . . 32 VAL . . 32 VAL . 1 1 48 CHI1 1 1 25 LYS N 1 1 25 LYS CA 1 1 25 LYS CB 1 1 25 LYS CG -205.0 -115.00001 . 34 LYS . . 34 LYS . . 34 LYS . . 34 LYS . 1 1 49 PHI 1 1 25 LYS C 1 1 26 GLU N 1 1 26 GLU CA 1 1 26 GLU C -185.0 -55.0 . 35 GLU . . 35 GLU . . 35 GLU . . 35 GLU . 1 1 50 PHI 1 1 25 LYS C 1 1 26 GLU N 1 1 26 GLU CA 1 1 26 GLU C -75.0 195.0 . 35 GLU . . 35 GLU . . 35 GLU . . 35 GLU . 1 1 51 CHI1 1 1 26 GLU N 1 1 26 GLU CA 1 1 26 GLU CB 1 1 26 GLU CG -325.0 -35.0 . 35 GLU . . 35 GLU . . 35 GLU . . 35 GLU . 1 1 52 CHI1 1 1 26 GLU N 1 1 26 GLU CA 1 1 26 GLU CB 1 1 26 GLU CG -205.0 85.0 . 35 GLU . . 35 GLU . . 35 GLU . . 35 GLU . 1 1 53 PHI 1 1 26 GLU C 1 1 27 CYS N 1 1 27 CYS CA 1 1 27 CYS C -125.0 -105.0 . 36 CYSS . . 36 CYSS . . 36 CYSS . . 36 CYSS . 1 1 54 PHI 1 1 27 CYS C 1 1 28 MET N 1 1 28 MET CA 1 1 28 MET C -145.0 -95.0 . 37 MET . . 37 MET . . 37 MET . . 37 MET . 1 1 55 PHI 1 1 29 PRO C 1 1 30 SER N 1 1 30 SER CA 1 1 30 SER C -165.0 -75.0 . 39 SER . . 39 SER . . 39 SER . . 39 SER . 1 1 56 PHI 1 1 29 PRO C 1 1 30 SER N 1 1 30 SER CA 1 1 30 SER C -95.0 215.0 . 39 SER . . 39 SER . . 39 SER . . 39 SER . 1 1 57 PSI 1 1 30 SER N 1 1 30 SER CA 1 1 30 SER C 1 1 31 CYS N -85.0 55.0 . 39 SER . . 39 SER . . 39 SER . . 39 SER . 1 1 58 PHI 1 1 31 CYS C 1 1 32 ASN N 1 1 32 ASN CA 1 1 32 ASN C -155.0 -85.0 . 41 ASN . . 41 ASN . . 41 ASN . . 41 ASN . 1 1 59 PHI 1 1 31 CYS C 1 1 32 ASN N 1 1 32 ASN CA 1 1 32 ASN C -105.0 225.0 . 41 ASN . . 41 ASN . . 41 ASN . . 41 ASN . 1 1 60 CHI1 1 1 32 ASN N 1 1 32 ASN CA 1 1 32 ASN CB 1 1 32 ASN CG -325.0 -15.0 . 41 ASN . . 41 ASN . . 41 ASN . . 41 ASN . 1 1 61 CHI1 1 1 32 ASN N 1 1 32 ASN CA 1 1 32 ASN CB 1 1 32 ASN CG -215.0 95.0 . 41 ASN . . 41 ASN . . 41 ASN . . 41 ASN . 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 2KT C1 C 9.003 10.270 18.155 1.00 . A A . 1 2KT C1 1 1 1 2 1 1 1 2KT C2 C 10.156 10.942 18.036 1.00 . A A . 1 2KT C2 1 1 1 3 1 1 1 2KT C3 C 10.990 10.619 17.131 1.00 . A A . 1 2KT C3 1 1 1 4 1 1 1 2KT C4 C 11.022 11.429 16.128 1.00 . A A . 1 2KT C4 1 1 1 5 1 1 1 2KT H31 H 10.851 9.784 16.598 1.00 . A A . 1 2KT H31 1 1 1 6 1 1 1 2KT H32 H 11.948 10.458 17.368 1.00 . A A . 1 2KT H32 1 1 1 7 1 1 1 2KT H41 H 11.035 12.417 16.284 1.00 . A A . 1 2KT H41 1 1 1 8 1 1 1 2KT H42 H 11.785 11.395 15.482 1.00 . A A . 1 2KT H42 1 1 1 9 1 1 1 2KT H43 H 10.285 11.419 15.452 1.00 . A A . 1 2KT H43 1 1 1 10 1 1 1 2KT O1 O 8.773 9.371 17.346 1.00 . A A . 1 2KT O1 1 1 1 11 1 1 1 2KT O3 O 10.382 11.870 18.817 1.00 . A A . 1 2KT O3 1 1 1 12 1 1 2 ILE C C 5.911 10.262 18.202 1.00 . A A . 2 ILE C 1 1 1 13 1 1 2 ILE CA C 6.894 9.905 19.312 1.00 . A A . 2 ILE CA 1 1 1 14 1 1 2 ILE CB C 6.258 10.240 20.674 1.00 . A A . 2 ILE CB 1 1 1 15 1 1 2 ILE CD1 C 5.382 12.218 22.015 1.00 . A A . 2 ILE CD1 1 1 1 16 1 1 2 ILE CG1 C 6.337 11.745 20.942 1.00 . A A . 2 ILE CG1 1 1 1 17 1 1 2 ILE CG2 C 6.946 9.462 21.786 1.00 . A A . 2 ILE CG2 1 1 1 18 1 1 2 ILE H H 8.403 11.323 19.745 1.00 . A A . 2 ILE H 1 1 1 19 1 1 2 ILE HA H 7.087 8.842 19.279 1.00 . A A . 2 ILE HA 1 1 1 20 1 1 2 ILE HB H 5.221 9.941 20.646 1.00 . A A . 2 ILE HB 1 1 1 21 1 1 2 ILE HD11 H 4.948 11.363 22.513 1.00 . A A . 2 ILE HD11 1 1 1 22 1 1 2 ILE HD12 H 5.918 12.819 22.735 1.00 . A A . 2 ILE HD12 1 1 1 23 1 1 2 ILE HD13 H 4.597 12.808 21.565 1.00 . A A . 2 ILE HD13 1 1 1 24 1 1 2 ILE HG12 H 7.338 11.996 21.255 1.00 . A A . 2 ILE HG12 1 1 1 25 1 1 2 ILE HG13 H 6.104 12.277 20.031 1.00 . A A . 2 ILE HG13 1 1 1 26 1 1 2 ILE HG21 H 7.947 9.202 21.476 1.00 . A A . 2 ILE HG21 1 1 1 27 1 1 2 ILE HG22 H 6.991 10.071 22.676 1.00 . A A . 2 ILE HG22 1 1 1 28 1 1 2 ILE HG23 H 6.388 8.561 21.993 1.00 . A A . 2 ILE HG23 1 1 1 29 1 1 2 ILE N N 8.164 10.598 19.132 1.00 . A A . 2 ILE N 1 1 1 30 1 1 2 ILE O O 6.247 11.005 17.279 1.00 . A A . 2 ILE O 1 1 1 31 1 1 3 . C C 3.280 8.702 16.600 1.00 . A A . 3 DBB C 1 1 1 32 1 1 3 . CA C 3.671 9.985 17.309 1.00 . A A . 3 DBB CA 1 1 1 33 1 1 3 . CB C 2.422 10.615 17.962 1.00 . A A . 3 DBB CB 1 1 1 34 1 1 3 . CG C 2.859 11.826 18.786 1.00 . A A . 3 DBB CG 1 1 1 35 1 1 3 . H H 4.498 9.145 19.067 1.00 . A A . 3 DBB H 1 1 1 36 1 1 3 . HA H 4.063 10.681 16.584 1.00 . A A . 3 DBB HA 1 1 1 37 1 1 3 . HB3 H 2.014 9.877 18.642 1.00 . A A . 3 DBB HB3 1 1 1 38 1 1 3 . HG1 H 3.926 11.790 18.938 1.00 . A A . 3 DBB HG1 1 1 1 39 1 1 3 . HG2 H 2.355 11.813 19.740 1.00 . A A . 3 DBB HG2 1 1 1 40 1 1 3 . HG3 H 2.602 12.729 18.251 1.00 . A A . 3 DBB HG3 1 1 1 41 1 1 3 . N N 4.703 9.733 18.301 1.00 . A A . 3 DBB N 1 1 1 42 1 1 3 . O O 2.229 8.631 15.961 1.00 . A A . 3 DBB O 1 1 1 43 1 1 4 LEU C C 2.390 6.129 15.953 1.00 . A A . 4 LEU C 1 1 1 44 1 1 4 LEU CA C 3.886 6.411 16.042 1.00 . A A . 4 LEU CA 1 1 1 45 1 1 4 LEU CB C 4.585 5.283 16.802 1.00 . A A . 4 LEU CB 1 1 1 46 1 1 4 LEU CD1 C 6.931 5.999 17.316 1.00 . A A . 4 LEU CD1 1 1 1 47 1 1 4 LEU CD2 C 6.458 3.620 16.708 1.00 . A A . 4 LEU CD2 1 1 1 48 1 1 4 LEU CG C 6.064 5.072 16.479 1.00 . A A . 4 LEU CG 1 1 1 49 1 1 4 LEU H H 4.957 7.807 17.219 1.00 . A A . 4 LEU H 1 1 1 50 1 1 4 LEU HA H 4.290 6.466 15.043 1.00 . A A . 4 LEU HA 1 1 1 51 1 1 4 LEU HB2 H 4.504 5.495 17.857 1.00 . A A . 4 LEU HB2 1 1 1 52 1 1 4 LEU HB3 H 4.062 4.363 16.581 1.00 . A A . 4 LEU HB3 1 1 1 53 1 1 4 LEU HD11 H 6.360 6.366 18.156 1.00 . A A . 4 LEU HD11 1 1 1 54 1 1 4 LEU HD12 H 7.257 6.832 16.711 1.00 . A A . 4 LEU HD12 1 1 1 55 1 1 4 LEU HD13 H 7.794 5.458 17.676 1.00 . A A . 4 LEU HD13 1 1 1 56 1 1 4 LEU HD21 H 6.951 3.237 15.826 1.00 . A A . 4 LEU HD21 1 1 1 57 1 1 4 LEU HD22 H 5.573 3.034 16.908 1.00 . A A . 4 LEU HD22 1 1 1 58 1 1 4 LEU HD23 H 7.129 3.557 17.552 1.00 . A A . 4 LEU HD23 1 1 1 59 1 1 4 LEU HG H 6.236 5.305 15.437 1.00 . A A . 4 LEU HG 1 1 1 60 1 1 4 LEU N N 4.136 7.691 16.696 1.00 . A A . 4 LEU N 1 1 1 61 1 1 4 LEU O O 1.683 6.217 16.962 1.00 . A A . 4 LEU O 1 1 1 62 1 1 5 DHA C C -0.164 6.298 13.661 1.00 . A A . 5 DHA C 1 1 1 63 1 1 5 DHA CA C 0.599 5.514 14.554 1.00 . A A . 5 DHA CA 1 1 1 64 1 1 5 DHA CB C 0.032 4.477 15.184 1.00 . A A . 5 DHA CB 1 1 1 65 1 1 5 DHA H H 2.585 5.758 14.031 1.00 . A A . 5 DHA H 1 1 1 66 1 1 5 DHA HB1 H 0.616 3.869 15.860 1.00 . A A . 5 DHA HB1 1 1 1 67 1 1 5 DHA HB2 H -0.995 4.228 14.993 1.00 . A A . 5 DHA HB2 1 1 1 68 1 1 5 DHA N N 1.926 5.793 14.751 1.00 . A A . 5 DHA N 1 1 1 69 1 1 5 DHA O O -0.101 6.119 12.440 1.00 . A A . 5 DHA O 1 1 1 70 1 1 6 DBU C C -1.332 9.621 13.512 1.00 . A A . 6 DBU C 1 1 1 71 1 1 6 DBU CA C -1.582 8.125 13.425 1.00 . A A . 6 DBU CA 1 1 1 72 1 1 6 DBU CB C -2.500 7.645 12.572 1.00 . A A . 6 DBU CB 1 1 1 73 1 1 6 DBU CG C -2.725 6.162 12.503 1.00 . A A . 6 DBU CG 1 1 1 74 1 1 6 DBU H1 H -0.847 7.333 15.197 1.00 . A A . 6 DBU H1 1 1 1 75 1 1 6 DBU HB1 H -3.070 8.321 11.950 1.00 . A A . 6 DBU HB1 1 1 1 76 1 1 6 DBU HG1 H -2.424 5.709 13.434 1.00 . A A . 6 DBU HG1 1 1 1 77 1 1 6 DBU HG2 H -2.137 5.744 11.702 1.00 . A A . 6 DBU HG2 1 1 1 78 1 1 6 DBU HG3 H -3.774 5.971 12.325 1.00 . A A . 6 DBU HG3 1 1 1 79 1 1 6 DBU N N -0.864 7.280 14.217 1.00 . A A . 6 DBU N 1 1 1 80 1 1 6 DBU O O -2.208 10.434 13.213 1.00 . A A . 6 DBU O 1 1 1 81 1 1 7 CYS C C 0.543 12.028 12.780 1.00 . A A . 7 CYS C 1 1 1 82 1 1 7 CYS CA C 0.231 11.382 14.126 1.00 . A A . 7 CYS CA 1 1 1 83 1 1 7 CYS CB C 1.439 11.508 15.057 1.00 . A A . 7 CYS CB 1 1 1 84 1 1 7 CYS H H 0.523 9.286 14.181 1.00 . A A . 7 CYS H 1 1 1 85 1 1 7 CYS HA H -0.609 11.893 14.571 1.00 . A A . 7 CYS HA 1 1 1 86 1 1 7 CYS HB2 H 2.230 10.867 14.696 1.00 . A A . 7 CYS HB2 1 1 1 87 1 1 7 CYS HB3 H 1.782 12.532 15.052 1.00 . A A . 7 CYS HB3 1 1 1 88 1 1 7 CYS N N -0.134 9.981 13.958 1.00 . A A . 7 CYS N 1 1 1 89 1 1 7 CYS O O -0.211 12.870 12.294 1.00 . A A . 7 CYS O 1 1 1 90 1 1 7 CYS SG S 1.098 11.044 16.785 1.00 . A A . 7 CYS SG 1 1 1 91 1 1 8 ALA C C 1.149 11.682 9.776 1.00 . A A . 8 ALA C 1 1 1 92 1 1 8 ALA CA C 2.071 12.164 10.891 1.00 . A A . 8 ALA CA 1 1 1 93 1 1 8 ALA CB C 3.512 11.776 10.592 1.00 . A A . 8 ALA CB 1 1 1 94 1 1 8 ALA H H 2.221 10.953 12.619 1.00 . A A . 8 ALA H 1 1 1 95 1 1 8 ALA HA H 2.019 13.242 10.946 1.00 . A A . 8 ALA HA 1 1 1 96 1 1 8 ALA HB1 H 3.553 10.730 10.325 1.00 . A A . 8 ALA HB1 1 1 1 97 1 1 8 ALA HB2 H 3.882 12.372 9.771 1.00 . A A . 8 ALA HB2 1 1 1 98 1 1 8 ALA HB3 H 4.120 11.949 11.467 1.00 . A A . 8 ALA HB3 1 1 1 99 1 1 8 ALA N N 1.660 11.627 12.182 1.00 . A A . 8 ALA N 1 1 1 100 1 1 8 ALA O O 1.333 12.032 8.610 1.00 . A A . 8 ALA O 1 1 1 101 1 1 9 ILE C C -1.926 11.335 8.918 1.00 . A A . 9 ILE C 1 1 1 102 1 1 9 ILE CA C -0.794 10.347 9.173 1.00 . A A . 9 ILE CA 1 1 1 103 1 1 9 ILE CB C -1.392 9.009 9.645 1.00 . A A . 9 ILE CB 1 1 1 104 1 1 9 ILE CD1 C -0.111 7.064 8.618 1.00 . A A . 9 ILE CD1 1 1 1 105 1 1 9 ILE CG1 C -0.287 7.965 9.821 1.00 . A A . 9 ILE CG1 1 1 1 106 1 1 9 ILE CG2 C -2.439 8.519 8.656 1.00 . A A . 9 ILE CG2 1 1 1 107 1 1 9 ILE H H 0.063 10.634 11.087 1.00 . A A . 9 ILE H 1 1 1 108 1 1 9 ILE HA H -0.264 10.175 8.247 1.00 . A A . 9 ILE HA 1 1 1 109 1 1 9 ILE HB H -1.877 9.172 10.595 1.00 . A A . 9 ILE HB 1 1 1 110 1 1 9 ILE HD11 H 0.001 7.668 7.729 1.00 . A A . 9 ILE HD11 1 1 1 111 1 1 9 ILE HD12 H 0.771 6.454 8.751 1.00 . A A . 9 ILE HD12 1 1 1 112 1 1 9 ILE HD13 H -0.977 6.428 8.514 1.00 . A A . 9 ILE HD13 1 1 1 113 1 1 9 ILE HG12 H 0.650 8.468 9.998 1.00 . A A . 9 ILE HG12 1 1 1 114 1 1 9 ILE HG13 H -0.523 7.342 10.671 1.00 . A A . 9 ILE HG13 1 1 1 115 1 1 9 ILE HG21 H -3.214 9.265 8.554 1.00 . A A . 9 ILE HG21 1 1 1 116 1 1 9 ILE HG22 H -1.976 8.348 7.697 1.00 . A A . 9 ILE HG22 1 1 1 117 1 1 9 ILE HG23 H -2.872 7.598 9.017 1.00 . A A . 9 ILE HG23 1 1 1 118 1 1 9 ILE N N 0.157 10.877 10.143 1.00 . A A . 9 ILE N 1 1 1 119 1 1 9 ILE O O -2.396 11.480 7.788 1.00 . A A . 9 ILE O 1 1 1 120 1 1 10 LEU C C -2.900 14.346 9.407 1.00 . A A . 10 LEU C 1 1 1 121 1 1 10 LEU CA C -3.437 12.994 9.863 1.00 . A A . 10 LEU CA 1 1 1 122 1 1 10 LEU CB C -4.154 13.144 11.206 1.00 . A A . 10 LEU CB 1 1 1 123 1 1 10 LEU CD1 C -6.388 13.005 12.334 1.00 . A A . 10 LEU CD1 1 1 1 124 1 1 10 LEU CD2 C -5.756 15.068 11.069 1.00 . A A . 10 LEU CD2 1 1 1 125 1 1 10 LEU CG C -5.626 13.553 11.138 1.00 . A A . 10 LEU CG 1 1 1 126 1 1 10 LEU H H -1.946 11.858 10.847 1.00 . A A . 10 LEU H 1 1 1 127 1 1 10 LEU HA H -4.139 12.632 9.127 1.00 . A A . 10 LEU HA 1 1 1 128 1 1 10 LEU HB2 H -4.099 12.196 11.718 1.00 . A A . 10 LEU HB2 1 1 1 129 1 1 10 LEU HB3 H -3.628 13.893 11.780 1.00 . A A . 10 LEU HB3 1 1 1 130 1 1 10 LEU HD11 H -5.753 12.330 12.887 1.00 . A A . 10 LEU HD11 1 1 1 131 1 1 10 LEU HD12 H -7.265 12.476 11.991 1.00 . A A . 10 LEU HD12 1 1 1 132 1 1 10 LEU HD13 H -6.689 13.822 12.974 1.00 . A A . 10 LEU HD13 1 1 1 133 1 1 10 LEU HD21 H -6.679 15.372 11.539 1.00 . A A . 10 LEU HD21 1 1 1 134 1 1 10 LEU HD22 H -5.757 15.382 10.036 1.00 . A A . 10 LEU HD22 1 1 1 135 1 1 10 LEU HD23 H -4.922 15.524 11.583 1.00 . A A . 10 LEU HD23 1 1 1 136 1 1 10 LEU HG H -6.068 13.138 10.242 1.00 . A A . 10 LEU HG 1 1 1 137 1 1 10 LEU N N -2.360 12.016 9.973 1.00 . A A . 10 LEU N 1 1 1 138 1 1 10 LEU O O -3.396 15.398 9.814 1.00 . A A . 10 LEU O 1 1 1 139 1 1 11 DAL C C -2.346 16.551 7.637 1.00 . A A . 11 DAL C 1 1 1 140 1 1 11 DAL CA C -1.281 15.536 8.051 1.00 . A A . 11 DAL CA 1 1 1 141 1 1 11 DAL CB C -0.371 16.148 9.112 1.00 . A A . 11 DAL CB 1 1 1 142 1 1 11 DAL H H -1.526 13.449 8.265 1.00 . A A . 11 DAL H 1 1 1 143 1 1 11 DAL HA H -0.686 15.278 7.188 1.00 . A A . 11 DAL HA 1 1 1 144 1 1 11 DAL HB2 H -0.481 17.222 9.088 1.00 . A A . 11 DAL HB2 1 1 1 145 1 1 11 DAL HB3 H 0.658 15.892 8.884 1.00 . A A . 11 DAL HB3 1 1 1 146 1 1 11 DAL N N -1.886 14.316 8.559 1.00 . A A . 11 DAL N 1 1 1 147 1 1 11 DAL O O -3.536 16.238 7.585 1.00 . A A . 11 DAL O 1 1 1 148 1 1 12 LYS C C -2.075 20.163 6.811 1.00 . A A . 12 LYS C 1 1 1 149 1 1 12 LYS CA C -2.815 18.835 6.940 1.00 . A A . 12 LYS CA 1 1 1 150 1 1 12 LYS CB C -3.957 18.972 7.949 1.00 . A A . 12 LYS CB 1 1 1 151 1 1 12 LYS CD C -4.581 19.418 10.342 1.00 . A A . 12 LYS CD 1 1 1 152 1 1 12 LYS CE C -4.741 20.928 10.261 1.00 . A A . 12 LYS CE 1 1 1 153 1 1 12 LYS CG C -3.499 18.922 9.397 1.00 . A A . 12 LYS CG 1 1 1 154 1 1 12 LYS H H -0.946 17.959 7.406 1.00 . A A . 12 LYS H 1 1 1 155 1 1 12 LYS HA H -3.227 18.571 5.977 1.00 . A A . 12 LYS HA 1 1 1 156 1 1 12 LYS HB2 H -4.457 19.915 7.784 1.00 . A A . 12 LYS HB2 1 1 1 157 1 1 12 LYS HB3 H -4.662 18.168 7.789 1.00 . A A . 12 LYS HB3 1 1 1 158 1 1 12 LYS HD2 H -5.519 18.953 10.077 1.00 . A A . 12 LYS HD2 1 1 1 159 1 1 12 LYS HD3 H -4.315 19.146 11.353 1.00 . A A . 12 LYS HD3 1 1 1 160 1 1 12 LYS HE2 H -5.389 21.165 9.432 1.00 . A A . 12 LYS HE2 1 1 1 161 1 1 12 LYS HE3 H -5.189 21.279 11.179 1.00 . A A . 12 LYS HE3 1 1 1 162 1 1 12 LYS HG2 H -3.254 17.902 9.652 1.00 . A A . 12 LYS HG2 1 1 1 163 1 1 12 LYS HG3 H -2.623 19.544 9.509 1.00 . A A . 12 LYS HG3 1 1 1 164 1 1 12 LYS HZ1 H -2.710 21.184 10.677 1.00 . A A . 12 LYS HZ1 1 1 1 165 1 1 12 LYS HZ2 H -3.521 22.623 10.309 1.00 . A A . 12 LYS HZ2 1 1 1 166 1 1 12 LYS HZ3 H -3.131 21.533 9.076 1.00 . A A . 12 LYS HZ3 1 1 1 167 1 1 12 LYS N N -1.906 17.770 7.346 1.00 . A A . 12 LYS N 1 1 1 168 1 1 12 LYS NZ N -3.434 21.615 10.067 1.00 . A A . 12 LYS NZ 1 1 1 169 1 1 12 LYS O O -1.342 20.581 7.707 1.00 . A A . 12 LYS O 1 1 1 170 1 1 13 PRO C C -2.188 23.251 6.278 1.00 . A A . 13 PRO C 1 1 1 171 1 1 13 PRO CA C -1.633 22.134 5.400 1.00 . A A . 13 PRO CA 1 1 1 172 1 1 13 PRO CB C -1.968 22.393 3.929 1.00 . A A . 13 PRO CB 1 1 1 173 1 1 13 PRO CD C -3.133 20.404 4.561 1.00 . A A . 13 PRO CD 1 1 1 174 1 1 13 PRO CG C -3.219 21.622 3.684 1.00 . A A . 13 PRO CG 1 1 1 175 1 1 13 PRO HA H -0.561 22.080 5.523 1.00 . A A . 13 PRO HA 1 1 1 176 1 1 13 PRO HB2 H -2.118 23.452 3.773 1.00 . A A . 13 PRO HB2 1 1 1 177 1 1 13 PRO HB3 H -1.160 22.043 3.305 1.00 . A A . 13 PRO HB3 1 1 1 178 1 1 13 PRO HD2 H -4.114 20.127 4.920 1.00 . A A . 13 PRO HD2 1 1 1 179 1 1 13 PRO HD3 H -2.680 19.583 4.024 1.00 . A A . 13 PRO HD3 1 1 1 180 1 1 13 PRO HG2 H -4.077 22.219 3.954 1.00 . A A . 13 PRO HG2 1 1 1 181 1 1 13 PRO HG3 H -3.273 21.333 2.645 1.00 . A A . 13 PRO HG3 1 1 1 182 1 1 13 PRO N N -2.272 20.843 5.672 1.00 . A A . 13 PRO N 1 1 1 183 1 1 13 PRO O O -3.362 23.237 6.650 1.00 . A A . 13 PRO O 1 1 1 184 1 1 14 LEU C C -2.564 24.869 8.633 1.00 . A A . 14 LEU C 1 1 1 185 1 1 14 LEU CA C -1.743 25.344 7.439 1.00 . A A . 14 LEU CA 1 1 1 186 1 1 14 LEU CB C -2.553 26.348 6.616 1.00 . A A . 14 LEU CB 1 1 1 187 1 1 14 LEU CD1 C -4.874 27.235 6.286 1.00 . A A . 14 LEU CD1 1 1 1 188 1 1 14 LEU CD2 C -4.145 25.167 5.081 1.00 . A A . 14 LEU CD2 1 1 1 189 1 1 14 LEU CG C -4.015 25.982 6.360 1.00 . A A . 14 LEU CG 1 1 1 190 1 1 14 LEU H H -0.415 24.174 6.279 1.00 . A A . 14 LEU H 1 1 1 191 1 1 14 LEU HA H -0.848 25.827 7.802 1.00 . A A . 14 LEU HA 1 1 1 192 1 1 14 LEU HB2 H -2.535 27.293 7.136 1.00 . A A . 14 LEU HB2 1 1 1 193 1 1 14 LEU HB3 H -2.066 26.457 5.657 1.00 . A A . 14 LEU HB3 1 1 1 194 1 1 14 LEU HD11 H -5.908 26.972 6.451 1.00 . A A . 14 LEU HD11 1 1 1 195 1 1 14 LEU HD12 H -4.768 27.686 5.311 1.00 . A A . 14 LEU HD12 1 1 1 196 1 1 14 LEU HD13 H -4.554 27.935 7.043 1.00 . A A . 14 LEU HD13 1 1 1 197 1 1 14 LEU HD21 H -4.611 25.771 4.316 1.00 . A A . 14 LEU HD21 1 1 1 198 1 1 14 LEU HD22 H -4.753 24.294 5.271 1.00 . A A . 14 LEU HD22 1 1 1 199 1 1 14 LEU HD23 H -3.165 24.858 4.750 1.00 . A A . 14 LEU HD23 1 1 1 200 1 1 14 LEU HG H -4.377 25.377 7.181 1.00 . A A . 14 LEU HG 1 1 1 201 1 1 14 LEU N N -1.338 24.218 6.605 1.00 . A A . 14 LEU N 1 1 1 202 1 1 14 LEU O O -2.581 23.682 8.955 1.00 . A A . 14 LEU O 1 1 1 203 1 1 15 GLY C C -5.509 25.203 10.065 1.00 . A A . 15 GLY C 1 1 1 204 1 1 15 GLY CA C -4.062 25.463 10.436 1.00 . A A . 15 GLY CA 1 1 1 205 1 1 15 GLY H H -3.195 26.736 8.984 1.00 . A A . 15 GLY H 1 1 1 206 1 1 15 GLY HA2 H -3.656 24.577 10.901 1.00 . A A . 15 GLY HA2 1 1 1 207 1 1 15 GLY HA3 H -4.026 26.277 11.145 1.00 . A A . 15 GLY HA3 1 1 1 208 1 1 15 GLY N N -3.247 25.805 9.286 1.00 . A A . 15 GLY N 1 1 1 209 1 1 15 GLY O O -6.317 26.128 10.005 1.00 . A A . 15 GLY O 1 1 1 210 1 1 16 ASN C C -7.756 22.530 10.417 1.00 . A A . 16 ASN C 1 1 1 211 1 1 16 ASN CA C -7.194 23.561 9.443 1.00 . A A . 16 ASN CA 1 1 1 212 1 1 16 ASN CB C -7.220 23.001 8.019 1.00 . A A . 16 ASN CB 1 1 1 213 1 1 16 ASN CG C -8.605 23.049 7.404 1.00 . A A . 16 ASN CG 1 1 1 214 1 1 16 ASN H H -5.147 23.245 9.878 1.00 . A A . 16 ASN H 1 1 1 215 1 1 16 ASN HA H -7.808 24.448 9.482 1.00 . A A . 16 ASN HA 1 1 1 216 1 1 16 ASN HB2 H -6.552 23.580 7.399 1.00 . A A . 16 ASN HB2 1 1 1 217 1 1 16 ASN HB3 H -6.889 21.973 8.037 1.00 . A A . 16 ASN HB3 1 1 1 218 1 1 16 ASN HD21 H -7.821 23.039 5.577 1.00 . A A . 16 ASN HD21 1 1 1 219 1 1 16 ASN HD22 H -9.546 23.093 5.653 1.00 . A A . 16 ASN HD22 1 1 1 220 1 1 16 ASN N N -5.836 23.939 9.813 1.00 . A A . 16 ASN N 1 1 1 221 1 1 16 ASN ND2 N -8.663 23.061 6.077 1.00 . A A . 16 ASN ND2 1 1 1 222 1 1 16 ASN O O -8.723 21.834 10.111 1.00 . A A . 16 ASN O 1 1 1 223 1 1 16 ASN OD1 O -9.611 23.075 8.113 1.00 . A A . 16 ASN OD1 1 1 1 224 1 1 17 ASN C C -6.718 21.603 13.865 1.00 . A A . 17 ASN C 1 1 1 225 1 1 17 ASN CA C -7.582 21.493 12.613 1.00 . A A . 17 ASN CA 1 1 1 226 1 1 17 ASN CB C -7.531 20.064 12.068 1.00 . A A . 17 ASN CB 1 1 1 227 1 1 17 ASN CG C -7.691 19.023 13.160 1.00 . A A . 17 ASN CG 1 1 1 228 1 1 17 ASN H H -6.377 23.021 11.779 1.00 . A A . 17 ASN H 1 1 1 229 1 1 17 ASN HA H -8.602 21.734 12.871 1.00 . A A . 17 ASN HA 1 1 1 230 1 1 17 ASN HB2 H -8.327 19.930 11.351 1.00 . A A . 17 ASN HB2 1 1 1 231 1 1 17 ASN HB3 H -6.581 19.904 11.580 1.00 . A A . 17 ASN HB3 1 1 1 232 1 1 17 ASN HD21 H -7.559 17.561 11.819 1.00 . A A . 17 ASN HD21 1 1 1 233 1 1 17 ASN HD22 H -7.775 17.060 13.459 1.00 . A A . 17 ASN HD22 1 1 1 234 1 1 17 ASN N N -7.143 22.439 11.593 1.00 . A A . 17 ASN N 1 1 1 235 1 1 17 ASN ND2 N -7.673 17.753 12.773 1.00 . A A . 17 ASN ND2 1 1 1 236 1 1 17 ASN O O -7.100 22.246 14.841 1.00 . A A . 17 ASN O 1 1 1 237 1 1 17 ASN OD1 O -7.829 19.358 14.337 1.00 . A A . 17 ASN OD1 1 1 1 238 1 1 18 GLY C C -4.462 19.649 15.606 1.00 . A A . 18 GLY C 1 1 1 239 1 1 18 GLY CA C -4.648 21.011 14.965 1.00 . A A . 18 GLY CA 1 1 1 240 1 1 18 GLY H H -5.296 20.473 13.023 1.00 . A A . 18 GLY H 1 1 1 241 1 1 18 GLY HA2 H -3.686 21.377 14.637 1.00 . A A . 18 GLY HA2 1 1 1 242 1 1 18 GLY HA3 H -5.047 21.691 15.703 1.00 . A A . 18 GLY HA3 1 1 1 243 1 1 18 GLY N N -5.548 20.971 13.828 1.00 . A A . 18 GLY N 1 1 1 244 1 1 18 GLY O O -4.000 19.548 16.743 1.00 . A A . 18 GLY O 1 1 1 245 1 1 19 TYR C C -3.269 16.953 15.832 1.00 . A A . 19 TYR C 1 1 1 246 1 1 19 TYR CA C -4.699 17.238 15.382 1.00 . A A . 19 TYR CA 1 1 1 247 1 1 19 TYR CB C -5.117 16.233 14.307 1.00 . A A . 19 TYR CB 1 1 1 248 1 1 19 TYR CD1 C -6.943 14.919 15.454 1.00 . A A . 19 TYR CD1 1 1 1 249 1 1 19 TYR CD2 C -4.960 13.763 14.810 1.00 . A A . 19 TYR CD2 1 1 1 250 1 1 19 TYR CE1 C -7.464 13.747 15.969 1.00 . A A . 19 TYR CE1 1 1 1 251 1 1 19 TYR CE2 C -5.474 12.587 15.320 1.00 . A A . 19 TYR CE2 1 1 1 252 1 1 19 TYR CG C -5.684 14.948 14.868 1.00 . A A . 19 TYR CG 1 1 1 253 1 1 19 TYR CZ C -6.726 12.584 15.899 1.00 . A A . 19 TYR CZ 1 1 1 254 1 1 19 TYR H H -5.186 18.744 13.977 1.00 . A A . 19 TYR H 1 1 1 255 1 1 19 TYR HA H -5.359 17.137 16.231 1.00 . A A . 19 TYR HA 1 1 1 256 1 1 19 TYR HB2 H -5.870 16.680 13.679 1.00 . A A . 19 TYR HB2 1 1 1 257 1 1 19 TYR HB3 H -4.256 15.981 13.706 1.00 . A A . 19 TYR HB3 1 1 1 258 1 1 19 TYR HD1 H -7.518 15.832 15.507 1.00 . A A . 19 TYR HD1 1 1 1 259 1 1 19 TYR HD2 H -3.980 13.768 14.356 1.00 . A A . 19 TYR HD2 1 1 1 260 1 1 19 TYR HE1 H -8.445 13.745 16.421 1.00 . A A . 19 TYR HE1 1 1 1 261 1 1 19 TYR HE2 H -4.897 11.675 15.267 1.00 . A A . 19 TYR HE2 1 1 1 262 1 1 19 TYR HH H -6.767 11.176 17.208 1.00 . A A . 19 TYR HH 1 1 1 263 1 1 19 TYR N N -4.824 18.600 14.876 1.00 . A A . 19 TYR N 1 1 1 264 1 1 19 TYR O O -2.415 17.841 15.826 1.00 . A A . 19 TYR O 1 1 1 265 1 1 19 TYR OH O -7.243 11.415 16.409 1.00 . A A . 19 TYR OH 1 1 1 266 1 1 20 LEU C C -0.736 15.145 15.495 1.00 . A A . 20 LEU C 1 1 1 267 1 1 20 LEU CA C -1.689 15.305 16.675 1.00 . A A . 20 LEU CA 1 1 1 268 1 1 20 LEU CB C -1.774 13.993 17.458 1.00 . A A . 20 LEU CB 1 1 1 269 1 1 20 LEU CD1 C -0.990 12.506 19.317 1.00 . A A . 20 LEU CD1 1 1 1 270 1 1 20 LEU CD2 C 0.570 14.190 18.323 1.00 . A A . 20 LEU CD2 1 1 1 271 1 1 20 LEU CG C -0.875 13.887 18.690 1.00 . A A . 20 LEU CG 1 1 1 272 1 1 20 LEU H H -3.736 15.046 16.204 1.00 . A A . 20 LEU H 1 1 1 273 1 1 20 LEU HA H -1.311 16.079 17.326 1.00 . A A . 20 LEU HA 1 1 1 274 1 1 20 LEU HB2 H -2.796 13.867 17.782 1.00 . A A . 20 LEU HB2 1 1 1 275 1 1 20 LEU HB3 H -1.511 13.190 16.784 1.00 . A A . 20 LEU HB3 1 1 1 276 1 1 20 LEU HD11 H -0.474 12.498 20.266 1.00 . A A . 20 LEU HD11 1 1 1 277 1 1 20 LEU HD12 H -0.545 11.774 18.659 1.00 . A A . 20 LEU HD12 1 1 1 278 1 1 20 LEU HD13 H -2.032 12.266 19.470 1.00 . A A . 20 LEU HD13 1 1 1 279 1 1 20 LEU HD21 H 1.198 14.053 19.191 1.00 . A A . 20 LEU HD21 1 1 1 280 1 1 20 LEU HD22 H 0.648 15.211 17.979 1.00 . A A . 20 LEU HD22 1 1 1 281 1 1 20 LEU HD23 H 0.890 13.521 17.537 1.00 . A A . 20 LEU HD23 1 1 1 282 1 1 20 LEU HG H -1.194 14.614 19.424 1.00 . A A . 20 LEU HG 1 1 1 283 1 1 20 LEU N N -3.016 15.709 16.222 1.00 . A A . 20 LEU N 1 1 1 284 1 1 20 LEU O O -0.023 14.147 15.390 1.00 . A A . 20 LEU O 1 1 1 285 1 1 21 CYS C C 1.441 16.864 13.707 1.00 . A A . 21 CYS C 1 1 1 286 1 1 21 CYS CA C 0.141 16.110 13.440 1.00 . A A . 21 CYS CA 1 1 1 287 1 1 21 CYS CB C -0.576 16.718 12.233 1.00 . A A . 21 CYS CB 1 1 1 288 1 1 21 CYS H H -1.317 16.908 14.750 1.00 . A A . 21 CYS H 1 1 1 289 1 1 21 CYS HA H 0.376 15.078 13.225 1.00 . A A . 21 CYS HA 1 1 1 290 1 1 21 CYS HB2 H -1.578 17.000 12.525 1.00 . A A . 21 CYS HB2 1 1 1 291 1 1 21 CYS HB3 H -0.040 17.599 11.912 1.00 . A A . 21 CYS HB3 1 1 1 292 1 1 21 CYS N N -0.726 16.137 14.611 1.00 . A A . 21 CYS N 1 1 1 293 1 1 21 CYS O O 1.775 17.154 14.856 1.00 . A A . 21 CYS O 1 1 1 294 1 1 21 CYS SG S -0.711 15.597 10.805 1.00 . A A . 21 CYS SG 1 1 1 295 1 1 22 . C C 4.520 16.966 13.262 1.00 . A A . 22 DBB C 1 1 1 296 1 1 22 . CA C 3.426 17.887 12.755 1.00 . A A . 22 DBB CA 1 1 1 297 1 1 22 . CB C 3.843 18.484 11.395 1.00 . A A . 22 DBB CB 1 1 1 298 1 1 22 . CG C 2.661 19.263 10.818 1.00 . A A . 22 DBB CG 1 1 1 299 1 1 22 . H H 1.837 16.913 11.749 1.00 . A A . 22 DBB H 1 1 1 300 1 1 22 . HA H 3.296 18.697 13.456 1.00 . A A . 22 DBB HA 1 1 1 301 1 1 22 . HB3 H 4.049 17.651 10.733 1.00 . A A . 22 DBB HB3 1 1 1 302 1 1 22 . HG1 H 2.270 19.929 11.571 1.00 . A A . 22 DBB HG1 1 1 1 303 1 1 22 . HG2 H 1.891 18.574 10.508 1.00 . A A . 22 DBB HG2 1 1 1 304 1 1 22 . HG3 H 2.998 19.839 9.968 1.00 . A A . 22 DBB HG3 1 1 1 305 1 1 22 . N N 2.163 17.176 12.643 1.00 . A A . 22 DBB N 1 1 1 306 1 1 22 . O O 5.356 17.368 14.071 1.00 . A A . 22 DBB O 1 1 1 307 1 1 23 VAL C C 6.108 14.024 12.025 1.00 . A A . 23 VAL C 1 1 1 308 1 1 23 VAL CA C 5.488 14.733 13.224 1.00 . A A . 23 VAL CA 1 1 1 309 1 1 23 VAL CB C 4.862 13.682 14.161 1.00 . A A . 23 VAL CB 1 1 1 310 1 1 23 VAL CG1 C 5.946 12.894 14.879 1.00 . A A . 23 VAL CG1 1 1 1 311 1 1 23 VAL CG2 C 3.926 14.348 15.158 1.00 . A A . 23 VAL CG2 1 1 1 312 1 1 23 VAL H H 3.811 15.458 12.155 1.00 . A A . 23 VAL H 1 1 1 313 1 1 23 VAL HA H 6.266 15.250 13.767 1.00 . A A . 23 VAL HA 1 1 1 314 1 1 23 VAL HB H 4.284 12.994 13.561 1.00 . A A . 23 VAL HB 1 1 1 315 1 1 23 VAL HG11 H 5.555 12.512 15.811 1.00 . A A . 23 VAL HG11 1 1 1 316 1 1 23 VAL HG12 H 6.265 12.071 14.257 1.00 . A A . 23 VAL HG12 1 1 1 317 1 1 23 VAL HG13 H 6.787 13.540 15.081 1.00 . A A . 23 VAL HG13 1 1 1 318 1 1 23 VAL HG21 H 3.724 13.669 15.972 1.00 . A A . 23 VAL HG21 1 1 1 319 1 1 23 VAL HG22 H 4.389 15.245 15.542 1.00 . A A . 23 VAL HG22 1 1 1 320 1 1 23 VAL HG23 H 2.999 14.605 14.666 1.00 . A A . 23 VAL HG23 1 1 1 321 1 1 23 VAL N N 4.503 15.720 12.799 1.00 . A A . 23 VAL N 1 1 1 322 1 1 23 VAL O O 5.439 13.788 11.019 1.00 . A A . 23 VAL O 1 1 1 323 1 1 24 . C C 8.472 13.993 9.973 1.00 . A A . 24 DBB C 1 1 1 324 1 1 24 . CA C 8.099 13.015 11.071 1.00 . A A . 24 DBB CA 1 1 1 325 1 1 24 . CB C 9.374 12.331 11.608 1.00 . A A . 24 DBB CB 1 1 1 326 1 1 24 . CG C 9.152 11.964 13.075 1.00 . A A . 24 DBB CG 1 1 1 327 1 1 24 . H H 7.861 13.907 12.976 1.00 . A A . 24 DBB H 1 1 1 328 1 1 24 . HA H 7.453 12.255 10.659 1.00 . A A . 24 DBB HA 1 1 1 329 1 1 24 . HB3 H 10.170 13.066 11.564 1.00 . A A . 24 DBB HB3 1 1 1 330 1 1 24 . HG1 H 8.102 11.786 13.245 1.00 . A A . 24 DBB HG1 1 1 1 331 1 1 24 . HG2 H 9.491 12.772 13.704 1.00 . A A . 24 DBB HG2 1 1 1 332 1 1 24 . HG3 H 9.710 11.067 13.303 1.00 . A A . 24 DBB HG3 1 1 1 333 1 1 24 . N N 7.382 13.688 12.141 1.00 . A A . 24 DBB N 1 1 1 334 1 1 24 . O O 8.138 15.176 10.044 1.00 . A A . 24 DBB O 1 1 1 335 1 1 25 LYS C C 8.720 15.567 7.712 1.00 . A A . 25 LYS C 1 1 1 336 1 1 25 LYS CA C 9.620 14.344 7.855 1.00 . A A . 25 LYS CA 1 1 1 337 1 1 25 LYS CB C 9.622 13.543 6.551 1.00 . A A . 25 LYS CB 1 1 1 338 1 1 25 LYS CD C 11.701 14.652 5.681 1.00 . A A . 25 LYS CD 1 1 1 339 1 1 25 LYS CE C 11.239 15.246 4.360 1.00 . A A . 25 LYS CE 1 1 1 340 1 1 25 LYS CG C 11.009 13.331 5.970 1.00 . A A . 25 LYS CG 1 1 1 341 1 1 25 LYS H H 9.418 12.551 8.963 1.00 . A A . 25 LYS H 1 1 1 342 1 1 25 LYS HA H 10.625 14.674 8.067 1.00 . A A . 25 LYS HA 1 1 1 343 1 1 25 LYS HB2 H 9.179 12.576 6.735 1.00 . A A . 25 LYS HB2 1 1 1 344 1 1 25 LYS HB3 H 9.025 14.069 5.819 1.00 . A A . 25 LYS HB3 1 1 1 345 1 1 25 LYS HD2 H 11.475 15.349 6.475 1.00 . A A . 25 LYS HD2 1 1 1 346 1 1 25 LYS HD3 H 12.769 14.488 5.638 1.00 . A A . 25 LYS HD3 1 1 1 347 1 1 25 LYS HE2 H 11.860 16.098 4.126 1.00 . A A . 25 LYS HE2 1 1 1 348 1 1 25 LYS HE3 H 11.346 14.499 3.587 1.00 . A A . 25 LYS HE3 1 1 1 349 1 1 25 LYS HG2 H 11.604 12.772 6.677 1.00 . A A . 25 LYS HG2 1 1 1 350 1 1 25 LYS HG3 H 10.922 12.771 5.049 1.00 . A A . 25 LYS HG3 1 1 1 351 1 1 25 LYS HZ1 H 9.682 16.538 3.837 1.00 . A A . 25 LYS HZ1 1 1 1 352 1 1 25 LYS HZ2 H 9.548 15.899 5.398 1.00 . A A . 25 LYS HZ2 1 1 1 353 1 1 25 LYS HZ3 H 9.196 14.932 4.055 1.00 . A A . 25 LYS HZ3 1 1 1 354 1 1 25 LYS N N 9.182 13.503 8.963 1.00 . A A . 25 LYS N 1 1 1 355 1 1 25 LYS NZ N 9.817 15.685 4.416 1.00 . A A . 25 LYS NZ 1 1 1 356 1 1 25 LYS O O 9.184 16.653 7.367 1.00 . A A . 25 LYS O 1 1 1 357 1 1 26 GLU C C 6.961 17.705 8.633 1.00 . A A . 26 GLU C 1 1 1 358 1 1 26 GLU CA C 6.467 16.472 7.882 1.00 . A A . 26 GLU CA 1 1 1 359 1 1 26 GLU CB C 5.110 16.034 8.436 1.00 . A A . 26 GLU CB 1 1 1 360 1 1 26 GLU CD C 3.315 14.258 8.366 1.00 . A A . 26 GLU CD 1 1 1 361 1 1 26 GLU CG C 4.784 14.575 8.166 1.00 . A A . 26 GLU CG 1 1 1 362 1 1 26 GLU H H 7.121 14.493 8.251 1.00 . A A . 26 GLU H 1 1 1 363 1 1 26 GLU HA H 6.355 16.722 6.838 1.00 . A A . 26 GLU HA 1 1 1 364 1 1 26 GLU HB2 H 5.103 16.192 9.505 1.00 . A A . 26 GLU HB2 1 1 1 365 1 1 26 GLU HB3 H 4.338 16.642 7.987 1.00 . A A . 26 GLU HB3 1 1 1 366 1 1 26 GLU HG2 H 5.050 14.343 7.145 1.00 . A A . 26 GLU HG2 1 1 1 367 1 1 26 GLU HG3 H 5.365 13.959 8.837 1.00 . A A . 26 GLU HG3 1 1 1 368 1 1 26 GLU N N 7.431 15.382 7.981 1.00 . A A . 26 GLU N 1 1 1 369 1 1 26 GLU O O 6.946 18.817 8.103 1.00 . A A . 26 GLU O 1 1 1 370 1 1 26 GLU OE1 O 2.764 14.639 9.420 1.00 . A A . 26 GLU OE1 1 1 1 371 1 1 26 GLU OE2 O 2.716 13.629 7.469 1.00 . A A . 26 GLU OE2 1 1 1 372 1 1 27 CYS C C 9.318 18.309 11.177 1.00 . A A . 27 CYS C 1 1 1 373 1 1 27 CYS CA C 7.898 18.594 10.696 1.00 . A A . 27 CYS CA 1 1 1 374 1 1 27 CYS CB C 6.975 18.816 11.897 1.00 . A A . 27 CYS CB 1 1 1 375 1 1 27 CYS H H 7.387 16.591 10.238 1.00 . A A . 27 CYS H 1 1 1 376 1 1 27 CYS HA H 7.909 19.488 10.092 1.00 . A A . 27 CYS HA 1 1 1 377 1 1 27 CYS HB2 H 6.810 17.870 12.393 1.00 . A A . 27 CYS HB2 1 1 1 378 1 1 27 CYS HB3 H 7.450 19.499 12.584 1.00 . A A . 27 CYS HB3 1 1 1 379 1 1 27 CYS N N 7.400 17.501 9.870 1.00 . A A . 27 CYS N 1 1 1 380 1 1 27 CYS O O 10.014 19.205 11.654 1.00 . A A . 27 CYS O 1 1 1 381 1 1 27 CYS SG S 5.345 19.505 11.465 1.00 . A A . 27 CYS SG 1 1 1 382 1 1 28 MET C C 11.788 15.888 10.358 1.00 . A A . 28 MET C 1 1 1 383 1 1 28 MET CA C 11.076 16.652 11.469 1.00 . A A . 28 MET CA 1 1 1 384 1 1 28 MET CB C 10.999 15.788 12.729 1.00 . A A . 28 MET CB 1 1 1 385 1 1 28 MET CE C 12.321 16.579 16.539 1.00 . A A . 28 MET CE 1 1 1 386 1 1 28 MET CG C 11.978 16.207 13.814 1.00 . A A . 28 MET CG 1 1 1 387 1 1 28 MET H H 9.138 16.385 10.662 1.00 . A A . 28 MET H 1 1 1 388 1 1 28 MET HA H 11.637 17.547 11.691 1.00 . A A . 28 MET HA 1 1 1 389 1 1 28 MET HB2 H 10.000 15.850 13.133 1.00 . A A . 28 MET HB2 1 1 1 390 1 1 28 MET HB3 H 11.209 14.763 12.463 1.00 . A A . 28 MET HB3 1 1 1 391 1 1 28 MET HE1 H 13.306 16.890 16.220 1.00 . A A . 28 MET HE1 1 1 1 392 1 1 28 MET HE2 H 11.665 17.436 16.570 1.00 . A A . 28 MET HE2 1 1 1 393 1 1 28 MET HE3 H 12.384 16.138 17.523 1.00 . A A . 28 MET HE3 1 1 1 394 1 1 28 MET HG2 H 12.980 15.973 13.487 1.00 . A A . 28 MET HG2 1 1 1 395 1 1 28 MET HG3 H 11.891 17.273 13.966 1.00 . A A . 28 MET HG3 1 1 1 396 1 1 28 MET N N 9.739 17.055 11.049 1.00 . A A . 28 MET N 1 1 1 397 1 1 28 MET O O 11.414 14.771 10.001 1.00 . A A . 28 MET O 1 1 1 398 1 1 28 MET SD S 11.674 15.373 15.384 1.00 . A A . 28 MET SD 1 1 1 399 1 1 29 PRO C C 14.453 14.710 9.197 1.00 . A A . 29 PRO C 1 1 1 400 1 1 29 PRO CA C 13.626 15.898 8.716 1.00 . A A . 29 PRO CA 1 1 1 401 1 1 29 PRO CB C 14.541 17.038 8.262 1.00 . A A . 29 PRO CB 1 1 1 402 1 1 29 PRO CD C 13.342 17.835 10.170 1.00 . A A . 29 PRO CD 1 1 1 403 1 1 29 PRO CG C 14.661 17.925 9.453 1.00 . A A . 29 PRO CG 1 1 1 404 1 1 29 PRO HA H 12.998 15.588 7.893 1.00 . A A . 29 PRO HA 1 1 1 405 1 1 29 PRO HB2 H 15.501 16.637 7.969 1.00 . A A . 29 PRO HB2 1 1 1 406 1 1 29 PRO HB3 H 14.091 17.555 7.428 1.00 . A A . 29 PRO HB3 1 1 1 407 1 1 29 PRO HD2 H 13.488 17.906 11.238 1.00 . A A . 29 PRO HD2 1 1 1 408 1 1 29 PRO HD3 H 12.673 18.610 9.827 1.00 . A A . 29 PRO HD3 1 1 1 409 1 1 29 PRO HG2 H 15.459 17.577 10.091 1.00 . A A . 29 PRO HG2 1 1 1 410 1 1 29 PRO HG3 H 14.847 18.940 9.137 1.00 . A A . 29 PRO HG3 1 1 1 411 1 1 29 PRO N N 12.840 16.503 9.795 1.00 . A A . 29 PRO N 1 1 1 412 1 1 29 PRO O O 14.995 13.953 8.392 1.00 . A A . 29 PRO O 1 1 1 413 1 1 30 SER C C 14.567 12.134 10.945 1.00 . A A . 30 SER C 1 1 1 414 1 1 30 SER CA C 15.308 13.458 11.101 1.00 . A A . 30 SER CA 1 1 1 415 1 1 30 SER CB C 15.577 13.734 12.582 1.00 . A A . 30 SER CB 1 1 1 416 1 1 30 SER H H 14.089 15.189 11.103 1.00 . A A . 30 SER H 1 1 1 417 1 1 30 SER HA H 16.251 13.394 10.578 1.00 . A A . 30 SER HA 1 1 1 418 1 1 30 SER HB2 H 16.529 13.305 12.858 1.00 . A A . 30 SER HB2 1 1 1 419 1 1 30 SER HB3 H 15.601 14.801 12.748 1.00 . A A . 30 SER HB3 1 1 1 420 1 1 30 SER HG H 14.953 12.498 13.968 1.00 . A A . 30 SER HG 1 1 1 421 1 1 30 SER N N 14.544 14.553 10.513 1.00 . A A . 30 SER N 1 1 1 422 1 1 30 SER O O 14.946 11.123 11.539 1.00 . A A . 30 SER O 1 1 1 423 1 1 30 SER OG O 14.567 13.167 13.398 1.00 . A A . 30 SER OG 1 1 1 424 1 1 31 CYS C C 13.387 10.040 8.881 1.00 . A A . 31 CYS C 1 1 1 425 1 1 31 CYS CA C 12.713 10.947 9.906 1.00 . A A . 31 CYS CA 1 1 1 426 1 1 31 CYS CB C 11.311 11.327 9.424 1.00 . A A . 31 CYS CB 1 1 1 427 1 1 31 CYS H H 13.256 12.982 9.696 1.00 . A A . 31 CYS H 1 1 1 428 1 1 31 CYS HA H 12.630 10.415 10.841 1.00 . A A . 31 CYS HA 1 1 1 429 1 1 31 CYS HB2 H 11.270 12.395 9.267 1.00 . A A . 31 CYS HB2 1 1 1 430 1 1 31 CYS HB3 H 11.111 10.823 8.490 1.00 . A A . 31 CYS HB3 1 1 1 431 1 1 31 CYS N N 13.509 12.146 10.142 1.00 . A A . 31 CYS N 1 1 1 432 1 1 31 CYS O O 13.734 10.475 7.785 1.00 . A A . 31 CYS O 1 1 1 433 1 1 31 CYS SG S 9.981 10.889 10.588 1.00 . A A . 31 CYS SG 1 1 1 434 1 1 32 ASN C C 13.564 6.428 8.519 1.00 . A A . 32 ASN C 1 1 1 435 1 1 32 ASN CA C 14.200 7.805 8.361 1.00 . A A . 32 ASN CA 1 1 1 436 1 1 32 ASN CB C 15.701 7.723 8.648 1.00 . A A . 32 ASN CB 1 1 1 437 1 1 32 ASN CG C 16.467 8.894 8.063 1.00 . A A . 32 ASN CG 1 1 1 438 1 1 32 ASN H H 13.270 8.487 10.136 1.00 . A A . 32 ASN H 1 1 1 439 1 1 32 ASN HA H 14.055 8.142 7.345 1.00 . A A . 32 ASN HA 1 1 1 440 1 1 32 ASN HB2 H 15.856 7.714 9.717 1.00 . A A . 32 ASN HB2 1 1 1 441 1 1 32 ASN HB3 H 16.093 6.811 8.224 1.00 . A A . 32 ASN HB3 1 1 1 442 1 1 32 ASN HD21 H 16.316 8.113 6.240 1.00 . A A . 32 ASN HD21 1 1 1 443 1 1 32 ASN HD22 H 17.161 9.616 6.346 1.00 . A A . 32 ASN HD22 1 1 1 444 1 1 32 ASN N N 13.568 8.775 9.248 1.00 . A A . 32 ASN N 1 1 1 445 1 1 32 ASN ND2 N 16.668 8.872 6.750 1.00 . A A . 32 ASN ND2 1 1 1 446 1 1 32 ASN O O 12.584 6.266 9.245 1.00 . A A . 32 ASN O 1 1 1 447 1 1 32 ASN OD1 O 16.872 9.806 8.782 1.00 . A A . 32 ASN OD1 1 1 2 448 1 1 1 2KT C1 C 5.901 5.219 16.506 1.00 . A A . 1 2KT C1 1 1 2 449 1 1 1 2KT C2 C 6.232 4.284 15.605 1.00 . A A . 1 2KT C2 1 1 2 450 1 1 1 2KT C3 C 5.357 3.454 15.199 1.00 . A A . 1 2KT C3 1 1 2 451 1 1 1 2KT C4 C 5.007 3.616 13.968 1.00 . A A . 1 2KT C4 1 1 2 452 1 1 1 2KT H31 H 4.434 3.471 15.583 1.00 . A A . 1 2KT H31 1 1 2 453 1 1 1 2KT H32 H 5.516 2.472 15.298 1.00 . A A . 1 2KT H32 1 1 2 454 1 1 1 2KT H41 H 4.524 2.886 13.486 1.00 . A A . 1 2KT H41 1 1 2 455 1 1 1 2KT H42 H 4.388 4.361 13.719 1.00 . A A . 1 2KT H42 1 1 2 456 1 1 1 2KT H43 H 5.700 3.791 13.270 1.00 . A A . 1 2KT H43 1 1 2 457 1 1 1 2KT O1 O 4.730 5.265 16.885 1.00 . A A . 1 2KT O1 1 1 2 458 1 1 1 2KT O3 O 7.392 4.251 15.188 1.00 . A A . 1 2KT O3 1 1 2 459 1 1 2 ILE C C 5.397 7.980 17.448 1.00 . A A . 2 ILE C 1 1 2 460 1 1 2 ILE CA C 6.539 7.089 17.925 1.00 . A A . 2 ILE CA 1 1 2 461 1 1 2 ILE CB C 7.773 7.964 18.212 1.00 . A A . 2 ILE CB 1 1 2 462 1 1 2 ILE CD1 C 8.404 8.223 15.760 1.00 . A A . 2 ILE CD1 1 1 2 463 1 1 2 ILE CG1 C 8.028 8.923 17.047 1.00 . A A . 2 ILE CG1 1 1 2 464 1 1 2 ILE CG2 C 8.994 7.092 18.464 1.00 . A A . 2 ILE CG2 1 1 2 465 1 1 2 ILE H H 7.753 5.963 16.608 1.00 . A A . 2 ILE H 1 1 2 466 1 1 2 ILE HA H 6.244 6.605 18.845 1.00 . A A . 2 ILE HA 1 1 2 467 1 1 2 ILE HB H 7.580 8.538 19.106 1.00 . A A . 2 ILE HB 1 1 2 468 1 1 2 ILE HD11 H 7.512 7.844 15.283 1.00 . A A . 2 ILE HD11 1 1 2 469 1 1 2 ILE HD12 H 8.894 8.923 15.100 1.00 . A A . 2 ILE HD12 1 1 2 470 1 1 2 ILE HD13 H 9.071 7.403 15.977 1.00 . A A . 2 ILE HD13 1 1 2 471 1 1 2 ILE HG12 H 7.135 9.500 16.862 1.00 . A A . 2 ILE HG12 1 1 2 472 1 1 2 ILE HG13 H 8.835 9.591 17.311 1.00 . A A . 2 ILE HG13 1 1 2 473 1 1 2 ILE HG21 H 9.280 7.165 19.503 1.00 . A A . 2 ILE HG21 1 1 2 474 1 1 2 ILE HG22 H 8.758 6.066 18.228 1.00 . A A . 2 ILE HG22 1 1 2 475 1 1 2 ILE HG23 H 9.810 7.427 17.842 1.00 . A A . 2 ILE HG23 1 1 2 476 1 1 2 ILE N N 6.838 6.050 16.948 1.00 . A A . 2 ILE N 1 1 2 477 1 1 2 ILE O O 5.202 8.162 16.246 1.00 . A A . 2 ILE O 1 1 2 478 1 1 3 . C C 2.307 9.009 18.890 1.00 . A A . 3 DBB C 1 1 2 479 1 1 3 . CA C 3.528 9.396 18.077 1.00 . A A . 3 DBB CA 1 1 2 480 1 1 3 . CB C 3.880 10.874 18.345 1.00 . A A . 3 DBB CB 1 1 2 481 1 1 3 . CG C 5.202 11.197 17.649 1.00 . A A . 3 DBB CG 1 1 2 482 1 1 3 . H H 4.863 8.342 19.339 1.00 . A A . 3 DBB H 1 1 2 483 1 1 3 . HA H 3.301 9.285 17.028 1.00 . A A . 3 DBB HA 1 1 2 484 1 1 3 . HB3 H 4.031 10.975 19.414 1.00 . A A . 3 DBB HB3 1 1 2 485 1 1 3 . HG1 H 5.157 10.864 16.625 1.00 . A A . 3 DBB HG1 1 1 2 486 1 1 3 . HG2 H 6.010 10.697 18.160 1.00 . A A . 3 DBB HG2 1 1 2 487 1 1 3 . HG3 H 5.362 12.266 17.674 1.00 . A A . 3 DBB HG3 1 1 2 488 1 1 3 . N N 4.653 8.530 18.393 1.00 . A A . 3 DBB N 1 1 2 489 1 1 3 . O O 1.380 9.805 19.050 1.00 . A A . 3 DBB O 1 1 2 490 1 1 4 LEU C C 0.492 8.410 20.933 1.00 . A A . 4 LEU C 1 1 2 491 1 1 4 LEU CA C 1.169 7.278 20.168 1.00 . A A . 4 LEU CA 1 1 2 492 1 1 4 LEU CB C 1.638 6.197 21.143 1.00 . A A . 4 LEU CB 1 1 2 493 1 1 4 LEU CD1 C 3.484 4.830 20.138 1.00 . A A . 4 LEU CD1 1 1 2 494 1 1 4 LEU CD2 C 1.695 3.714 21.484 1.00 . A A . 4 LEU CD2 1 1 2 495 1 1 4 LEU CG C 2.012 4.850 20.523 1.00 . A A . 4 LEU CG 1 1 2 496 1 1 4 LEU H H 3.062 7.189 19.226 1.00 . A A . 4 LEU H 1 1 2 497 1 1 4 LEU HA H 0.455 6.847 19.481 1.00 . A A . 4 LEU HA 1 1 2 498 1 1 4 LEU HB2 H 2.506 6.574 21.662 1.00 . A A . 4 LEU HB2 1 1 2 499 1 1 4 LEU HB3 H 0.842 6.025 21.854 1.00 . A A . 4 LEU HB3 1 1 2 500 1 1 4 LEU HD11 H 3.994 4.069 20.710 1.00 . A A . 4 LEU HD11 1 1 2 501 1 1 4 LEU HD12 H 3.924 5.793 20.347 1.00 . A A . 4 LEU HD12 1 1 2 502 1 1 4 LEU HD13 H 3.577 4.613 19.084 1.00 . A A . 4 LEU HD13 1 1 2 503 1 1 4 LEU HD21 H 0.648 3.747 21.746 1.00 . A A . 4 LEU HD21 1 1 2 504 1 1 4 LEU HD22 H 2.293 3.820 22.376 1.00 . A A . 4 LEU HD22 1 1 2 505 1 1 4 LEU HD23 H 1.918 2.769 21.010 1.00 . A A . 4 LEU HD23 1 1 2 506 1 1 4 LEU HG H 1.431 4.701 19.623 1.00 . A A . 4 LEU HG 1 1 2 507 1 1 4 LEU N N 2.295 7.777 19.387 1.00 . A A . 4 LEU N 1 1 2 508 1 1 4 LEU O O 1.169 9.179 21.624 1.00 . A A . 4 LEU O 1 1 2 509 1 1 5 DHA C C -2.297 10.409 20.707 1.00 . A A . 5 DHA C 1 1 2 510 1 1 5 DHA CA C -1.542 9.475 21.451 1.00 . A A . 5 DHA CA 1 1 2 511 1 1 5 DHA CB C -1.551 9.524 22.788 1.00 . A A . 5 DHA CB 1 1 2 512 1 1 5 DHA H H -1.251 7.831 20.230 1.00 . A A . 5 DHA H 1 1 2 513 1 1 5 DHA HB1 H -0.983 8.804 23.361 1.00 . A A . 5 DHA HB1 1 1 2 514 1 1 5 DHA HB2 H -2.148 10.258 23.296 1.00 . A A . 5 DHA HB2 1 1 2 515 1 1 5 DHA N N -0.830 8.499 20.805 1.00 . A A . 5 DHA N 1 1 2 516 1 1 5 DHA O O -3.405 10.114 20.247 1.00 . A A . 5 DHA O 1 1 2 517 1 1 6 DBU C C -1.727 12.901 18.365 1.00 . A A . 6 DBU C 1 1 2 518 1 1 6 DBU CA C -2.323 12.507 19.705 1.00 . A A . 6 DBU CA 1 1 2 519 1 1 6 DBU CB C -3.461 13.079 20.130 1.00 . A A . 6 DBU CB 1 1 2 520 1 1 6 DBU CG C -4.031 12.669 21.457 1.00 . A A . 6 DBU CG 1 1 2 521 1 1 6 DBU H1 H -0.814 11.702 20.882 1.00 . A A . 6 DBU H1 1 1 2 522 1 1 6 DBU HB1 H -3.952 13.827 19.524 1.00 . A A . 6 DBU HB1 1 1 2 523 1 1 6 DBU HG1 H -4.654 11.798 21.328 1.00 . A A . 6 DBU HG1 1 1 2 524 1 1 6 DBU HG2 H -4.627 13.472 21.858 1.00 . A A . 6 DBU HG2 1 1 2 525 1 1 6 DBU HG3 H -3.220 12.442 22.135 1.00 . A A . 6 DBU HG3 1 1 2 526 1 1 6 DBU N N -1.695 11.568 20.467 1.00 . A A . 6 DBU N 1 1 2 527 1 1 6 DBU O O -2.200 13.825 17.702 1.00 . A A . 6 DBU O 1 1 2 528 1 1 7 CYS C C -0.867 12.243 15.535 1.00 . A A . 7 CYS C 1 1 2 529 1 1 7 CYS CA C 0.037 12.504 16.737 1.00 . A A . 7 CYS CA 1 1 2 530 1 1 7 CYS CB C 1.308 11.659 16.626 1.00 . A A . 7 CYS CB 1 1 2 531 1 1 7 CYS H H -0.328 11.485 18.555 1.00 . A A . 7 CYS H 1 1 2 532 1 1 7 CYS HA H 0.309 13.549 16.746 1.00 . A A . 7 CYS HA 1 1 2 533 1 1 7 CYS HB2 H 1.048 10.616 16.736 1.00 . A A . 7 CYS HB2 1 1 2 534 1 1 7 CYS HB3 H 1.750 11.814 15.653 1.00 . A A . 7 CYS HB3 1 1 2 535 1 1 7 CYS N N -0.658 12.211 17.984 1.00 . A A . 7 CYS N 1 1 2 536 1 1 7 CYS O O -1.129 13.141 14.736 1.00 . A A . 7 CYS O 1 1 2 537 1 1 7 CYS SG S 2.571 12.049 17.879 1.00 . A A . 7 CYS SG 1 1 2 538 1 1 8 ALA C C -3.543 11.374 14.386 1.00 . A A . 8 ALA C 1 1 2 539 1 1 8 ALA CA C -2.216 10.627 14.314 1.00 . A A . 8 ALA CA 1 1 2 540 1 1 8 ALA CB C -2.452 9.124 14.321 1.00 . A A . 8 ALA CB 1 1 2 541 1 1 8 ALA H H -1.095 10.334 16.085 1.00 . A A . 8 ALA H 1 1 2 542 1 1 8 ALA HA H -1.719 10.884 13.389 1.00 . A A . 8 ALA HA 1 1 2 543 1 1 8 ALA HB1 H -1.739 8.645 13.666 1.00 . A A . 8 ALA HB1 1 1 2 544 1 1 8 ALA HB2 H -2.330 8.746 15.325 1.00 . A A . 8 ALA HB2 1 1 2 545 1 1 8 ALA HB3 H -3.454 8.916 13.977 1.00 . A A . 8 ALA HB3 1 1 2 546 1 1 8 ALA N N -1.340 11.007 15.416 1.00 . A A . 8 ALA N 1 1 2 547 1 1 8 ALA O O -4.377 11.265 13.486 1.00 . A A . 8 ALA O 1 1 2 548 1 1 9 ILE C C -4.784 14.338 15.185 1.00 . A A . 9 ILE C 1 1 2 549 1 1 9 ILE CA C -4.959 12.896 15.649 1.00 . A A . 9 ILE CA 1 1 2 550 1 1 9 ILE CB C -5.404 12.893 17.123 1.00 . A A . 9 ILE CB 1 1 2 551 1 1 9 ILE CD1 C -6.232 11.343 18.965 1.00 . A A . 9 ILE CD1 1 1 2 552 1 1 9 ILE CG1 C -5.496 11.459 17.648 1.00 . A A . 9 ILE CG1 1 1 2 553 1 1 9 ILE CG2 C -6.741 13.605 17.275 1.00 . A A . 9 ILE CG2 1 1 2 554 1 1 9 ILE H H -3.031 12.178 16.143 1.00 . A A . 9 ILE H 1 1 2 555 1 1 9 ILE HA H -5.736 12.431 15.058 1.00 . A A . 9 ILE HA 1 1 2 556 1 1 9 ILE HB H -4.669 13.433 17.699 1.00 . A A . 9 ILE HB 1 1 2 557 1 1 9 ILE HD11 H -7.295 11.424 18.791 1.00 . A A . 9 ILE HD11 1 1 2 558 1 1 9 ILE HD12 H -6.014 10.386 19.416 1.00 . A A . 9 ILE HD12 1 1 2 559 1 1 9 ILE HD13 H -5.914 12.135 19.626 1.00 . A A . 9 ILE HD13 1 1 2 560 1 1 9 ILE HG12 H -6.014 10.850 16.925 1.00 . A A . 9 ILE HG12 1 1 2 561 1 1 9 ILE HG13 H -4.497 11.071 17.790 1.00 . A A . 9 ILE HG13 1 1 2 562 1 1 9 ILE HG21 H -7.527 12.983 16.873 1.00 . A A . 9 ILE HG21 1 1 2 563 1 1 9 ILE HG22 H -6.931 13.793 18.321 1.00 . A A . 9 ILE HG22 1 1 2 564 1 1 9 ILE HG23 H -6.713 14.541 16.739 1.00 . A A . 9 ILE HG23 1 1 2 565 1 1 9 ILE N N -3.733 12.131 15.461 1.00 . A A . 9 ILE N 1 1 2 566 1 1 9 ILE O O -5.622 14.875 14.459 1.00 . A A . 9 ILE O 1 1 2 567 1 1 10 LEU C C -2.457 16.398 14.041 1.00 . A A . 10 LEU C 1 1 2 568 1 1 10 LEU CA C -3.403 16.342 15.236 1.00 . A A . 10 LEU CA 1 1 2 569 1 1 10 LEU CB C -2.793 17.095 16.420 1.00 . A A . 10 LEU CB 1 1 2 570 1 1 10 LEU CD1 C -4.224 19.101 16.878 1.00 . A A . 10 LEU CD1 1 1 2 571 1 1 10 LEU CD2 C -1.742 19.248 17.157 1.00 . A A . 10 LEU CD2 1 1 2 572 1 1 10 LEU CG C -2.877 18.620 16.361 1.00 . A A . 10 LEU CG 1 1 2 573 1 1 10 LEU H H -3.060 14.483 16.186 1.00 . A A . 10 LEU H 1 1 2 574 1 1 10 LEU HA H -4.336 16.813 14.963 1.00 . A A . 10 LEU HA 1 1 2 575 1 1 10 LEU HB2 H -3.300 16.770 17.315 1.00 . A A . 10 LEU HB2 1 1 2 576 1 1 10 LEU HB3 H -1.749 16.822 16.481 1.00 . A A . 10 LEU HB3 1 1 2 577 1 1 10 LEU HD11 H -4.320 18.845 17.922 1.00 . A A . 10 LEU HD11 1 1 2 578 1 1 10 LEU HD12 H -5.015 18.627 16.316 1.00 . A A . 10 LEU HD12 1 1 2 579 1 1 10 LEU HD13 H -4.292 20.173 16.761 1.00 . A A . 10 LEU HD13 1 1 2 580 1 1 10 LEU HD21 H -1.861 20.321 17.168 1.00 . A A . 10 LEU HD21 1 1 2 581 1 1 10 LEU HD22 H -0.798 18.994 16.699 1.00 . A A . 10 LEU HD22 1 1 2 582 1 1 10 LEU HD23 H -1.763 18.872 18.170 1.00 . A A . 10 LEU HD23 1 1 2 583 1 1 10 LEU HG H -2.781 18.940 15.332 1.00 . A A . 10 LEU HG 1 1 2 584 1 1 10 LEU N N -3.690 14.961 15.609 1.00 . A A . 10 LEU N 1 1 2 585 1 1 10 LEU O O -1.794 17.408 13.802 1.00 . A A . 10 LEU O 1 1 2 586 1 1 11 DAL C C -1.981 16.213 11.040 1.00 . A A . 11 DAL C 1 1 2 587 1 1 11 DAL CA C -1.534 15.234 12.125 1.00 . A A . 11 DAL CA 1 1 2 588 1 1 11 DAL CB C -0.092 15.532 12.526 1.00 . A A . 11 DAL CB 1 1 2 589 1 1 11 DAL H H -2.950 14.531 13.526 1.00 . A A . 11 DAL H 1 1 2 590 1 1 11 DAL HA H -1.588 14.229 11.737 1.00 . A A . 11 DAL HA 1 1 2 591 1 1 11 DAL HB2 H -0.089 15.989 13.503 1.00 . A A . 11 DAL HB2 1 1 2 592 1 1 11 DAL HB3 H 0.336 16.225 11.809 1.00 . A A . 11 DAL HB3 1 1 2 593 1 1 11 DAL N N -2.399 15.310 13.291 1.00 . A A . 11 DAL N 1 1 2 594 1 1 11 DAL O O -1.165 16.739 10.283 1.00 . A A . 11 DAL O 1 1 2 595 1 1 12 LYS C C -5.119 18.018 10.507 1.00 . A A . 12 LYS C 1 1 2 596 1 1 12 LYS CA C -3.849 17.358 9.980 1.00 . A A . 12 LYS CA 1 1 2 597 1 1 12 LYS CB C -4.153 16.607 8.682 1.00 . A A . 12 LYS CB 1 1 2 598 1 1 12 LYS CD C -5.362 14.691 7.596 1.00 . A A . 12 LYS CD 1 1 2 599 1 1 12 LYS CE C -6.759 15.206 7.285 1.00 . A A . 12 LYS CE 1 1 2 600 1 1 12 LYS CG C -4.834 15.266 8.899 1.00 . A A . 12 LYS CG 1 1 2 601 1 1 12 LYS H H -3.887 15.998 11.602 1.00 . A A . 12 LYS H 1 1 2 602 1 1 12 LYS HA H -3.116 18.124 9.779 1.00 . A A . 12 LYS HA 1 1 2 603 1 1 12 LYS HB2 H -4.798 17.219 8.068 1.00 . A A . 12 LYS HB2 1 1 2 604 1 1 12 LYS HB3 H -3.226 16.434 8.154 1.00 . A A . 12 LYS HB3 1 1 2 605 1 1 12 LYS HD2 H -4.699 14.974 6.792 1.00 . A A . 12 LYS HD2 1 1 2 606 1 1 12 LYS HD3 H -5.395 13.613 7.676 1.00 . A A . 12 LYS HD3 1 1 2 607 1 1 12 LYS HE2 H -6.863 16.198 7.698 1.00 . A A . 12 LYS HE2 1 1 2 608 1 1 12 LYS HE3 H -6.882 15.248 6.213 1.00 . A A . 12 LYS HE3 1 1 2 609 1 1 12 LYS HG2 H -4.120 14.575 9.322 1.00 . A A . 12 LYS HG2 1 1 2 610 1 1 12 LYS HG3 H -5.659 15.399 9.585 1.00 . A A . 12 LYS HG3 1 1 2 611 1 1 12 LYS HZ1 H -8.753 14.750 7.707 1.00 . A A . 12 LYS HZ1 1 1 2 612 1 1 12 LYS HZ2 H -7.663 14.211 8.883 1.00 . A A . 12 LYS HZ2 1 1 2 613 1 1 12 LYS HZ3 H -7.788 13.393 7.408 1.00 . A A . 12 LYS HZ3 1 1 2 614 1 1 12 LYS N N -3.287 16.447 10.970 1.00 . A A . 12 LYS N 1 1 2 615 1 1 12 LYS NZ N -7.815 14.328 7.861 1.00 . A A . 12 LYS NZ 1 1 2 616 1 1 12 LYS O O -6.237 17.606 10.196 1.00 . A A . 12 LYS O 1 1 2 617 1 1 13 PRO C C -6.833 20.619 10.868 1.00 . A A . 13 PRO C 1 1 2 618 1 1 13 PRO CA C -6.067 19.809 11.908 1.00 . A A . 13 PRO CA 1 1 2 619 1 1 13 PRO CB C -5.390 20.739 12.918 1.00 . A A . 13 PRO CB 1 1 2 620 1 1 13 PRO CD C -3.642 19.614 11.737 1.00 . A A . 13 PRO CD 1 1 2 621 1 1 13 PRO CG C -4.003 20.914 12.400 1.00 . A A . 13 PRO CG 1 1 2 622 1 1 13 PRO HA H -6.751 19.151 12.425 1.00 . A A . 13 PRO HA 1 1 2 623 1 1 13 PRO HB2 H -5.920 21.681 12.955 1.00 . A A . 13 PRO HB2 1 1 2 624 1 1 13 PRO HB3 H -5.391 20.279 13.894 1.00 . A A . 13 PRO HB3 1 1 2 625 1 1 13 PRO HD2 H -3.009 19.791 10.880 1.00 . A A . 13 PRO HD2 1 1 2 626 1 1 13 PRO HD3 H -3.155 18.954 12.439 1.00 . A A . 13 PRO HD3 1 1 2 627 1 1 13 PRO HG2 H -3.978 21.721 11.684 1.00 . A A . 13 PRO HG2 1 1 2 628 1 1 13 PRO HG3 H -3.329 21.116 13.219 1.00 . A A . 13 PRO HG3 1 1 2 629 1 1 13 PRO N N -4.946 19.068 11.323 1.00 . A A . 13 PRO N 1 1 2 630 1 1 13 PRO O O -6.264 21.064 9.870 1.00 . A A . 13 PRO O 1 1 2 631 1 1 14 LEU C C -8.862 23.063 10.460 1.00 . A A . 14 LEU C 1 1 2 632 1 1 14 LEU CA C -8.971 21.565 10.190 1.00 . A A . 14 LEU CA 1 1 2 633 1 1 14 LEU CB C -10.428 21.117 10.319 1.00 . A A . 14 LEU CB 1 1 2 634 1 1 14 LEU CD1 C -11.642 22.554 11.976 1.00 . A A . 14 LEU CD1 1 1 2 635 1 1 14 LEU CD2 C -12.068 20.090 11.912 1.00 . A A . 14 LEU CD2 1 1 2 636 1 1 14 LEU CG C -11.029 21.185 11.723 1.00 . A A . 14 LEU CG 1 1 2 637 1 1 14 LEU H H -8.524 20.429 11.918 1.00 . A A . 14 LEU H 1 1 2 638 1 1 14 LEU HA H -8.630 21.367 9.185 1.00 . A A . 14 LEU HA 1 1 2 639 1 1 14 LEU HB2 H -11.025 21.743 9.673 1.00 . A A . 14 LEU HB2 1 1 2 640 1 1 14 LEU HB3 H -10.489 20.093 9.981 1.00 . A A . 14 LEU HB3 1 1 2 641 1 1 14 LEU HD11 H -12.207 22.531 12.895 1.00 . A A . 14 LEU HD11 1 1 2 642 1 1 14 LEU HD12 H -12.298 22.811 11.157 1.00 . A A . 14 LEU HD12 1 1 2 643 1 1 14 LEU HD13 H -10.857 23.291 12.053 1.00 . A A . 14 LEU HD13 1 1 2 644 1 1 14 LEU HD21 H -12.226 19.578 10.974 1.00 . A A . 14 LEU HD21 1 1 2 645 1 1 14 LEU HD22 H -12.998 20.529 12.243 1.00 . A A . 14 LEU HD22 1 1 2 646 1 1 14 LEU HD23 H -11.719 19.386 12.653 1.00 . A A . 14 LEU HD23 1 1 2 647 1 1 14 LEU HG H -10.244 21.032 12.451 1.00 . A A . 14 LEU HG 1 1 2 648 1 1 14 LEU N N -8.126 20.808 11.106 1.00 . A A . 14 LEU N 1 1 2 649 1 1 14 LEU O O -8.351 23.481 11.498 1.00 . A A . 14 LEU O 1 1 2 650 1 1 15 GLY C C -7.918 25.873 9.396 1.00 . A A . 15 GLY C 1 1 2 651 1 1 15 GLY CA C -9.296 25.308 9.675 1.00 . A A . 15 GLY CA 1 1 2 652 1 1 15 GLY H H -9.743 23.476 8.711 1.00 . A A . 15 GLY H 1 1 2 653 1 1 15 GLY HA2 H -10.003 25.758 8.994 1.00 . A A . 15 GLY HA2 1 1 2 654 1 1 15 GLY HA3 H -9.577 25.559 10.687 1.00 . A A . 15 GLY HA3 1 1 2 655 1 1 15 GLY N N -9.347 23.866 9.518 1.00 . A A . 15 GLY N 1 1 2 656 1 1 15 GLY O O -7.681 27.066 9.578 1.00 . A A . 15 GLY O 1 1 2 657 1 1 16 ASN C C -4.865 24.310 7.972 1.00 . A A . 16 ASN C 1 1 2 658 1 1 16 ASN CA C -5.643 25.434 8.651 1.00 . A A . 16 ASN CA 1 1 2 659 1 1 16 ASN CB C -4.924 25.866 9.930 1.00 . A A . 16 ASN CB 1 1 2 660 1 1 16 ASN CG C -3.419 25.921 9.758 1.00 . A A . 16 ASN CG 1 1 2 661 1 1 16 ASN H H -7.255 24.074 8.828 1.00 . A A . 16 ASN H 1 1 2 662 1 1 16 ASN HA H -5.697 26.275 7.977 1.00 . A A . 16 ASN HA 1 1 2 663 1 1 16 ASN HB2 H -5.270 26.849 10.216 1.00 . A A . 16 ASN HB2 1 1 2 664 1 1 16 ASN HB3 H -5.153 25.165 10.719 1.00 . A A . 16 ASN HB3 1 1 2 665 1 1 16 ASN HD21 H -3.489 27.898 9.558 1.00 . A A . 16 ASN HD21 1 1 2 666 1 1 16 ASN HD22 H -1.917 27.189 9.458 1.00 . A A . 16 ASN HD22 1 1 2 667 1 1 16 ASN N N -7.006 25.013 8.953 1.00 . A A . 16 ASN N 1 1 2 668 1 1 16 ASN ND2 N -2.888 27.124 9.573 1.00 . A A . 16 ASN ND2 1 1 2 669 1 1 16 ASN O O -5.274 23.150 8.006 1.00 . A A . 16 ASN O 1 1 2 670 1 1 16 ASN OD1 O -2.741 24.894 9.790 1.00 . A A . 16 ASN OD1 1 1 2 671 1 1 17 ASN C C -2.533 22.536 7.606 1.00 . A A . 17 ASN C 1 1 2 672 1 1 17 ASN CA C -2.905 23.684 6.672 1.00 . A A . 17 ASN CA 1 1 2 673 1 1 17 ASN CB C -1.637 24.352 6.136 1.00 . A A . 17 ASN CB 1 1 2 674 1 1 17 ASN CG C -0.968 23.534 5.048 1.00 . A A . 17 ASN CG 1 1 2 675 1 1 17 ASN H H -3.466 25.604 7.366 1.00 . A A . 17 ASN H 1 1 2 676 1 1 17 ASN HA H -3.471 23.289 5.842 1.00 . A A . 17 ASN HA 1 1 2 677 1 1 17 ASN HB2 H -1.891 25.319 5.728 1.00 . A A . 17 ASN HB2 1 1 2 678 1 1 17 ASN HB3 H -0.935 24.481 6.946 1.00 . A A . 17 ASN HB3 1 1 2 679 1 1 17 ASN HD21 H 0.791 23.719 5.955 1.00 . A A . 17 ASN HD21 1 1 2 680 1 1 17 ASN HD22 H 0.795 22.809 4.486 1.00 . A A . 17 ASN HD22 1 1 2 681 1 1 17 ASN N N -3.740 24.663 7.358 1.00 . A A . 17 ASN N 1 1 2 682 1 1 17 ASN ND2 N 0.338 23.334 5.176 1.00 . A A . 17 ASN ND2 1 1 2 683 1 1 17 ASN O O -2.897 22.535 8.781 1.00 . A A . 17 ASN O 1 1 2 684 1 1 17 ASN OD1 O -1.619 23.088 4.103 1.00 . A A . 17 ASN OD1 1 1 2 685 1 1 18 GLY C C -1.808 19.099 7.253 1.00 . A A . 18 GLY C 1 1 2 686 1 1 18 GLY CA C -1.395 20.419 7.872 1.00 . A A . 18 GLY CA 1 1 2 687 1 1 18 GLY H H -1.543 21.614 6.130 1.00 . A A . 18 GLY H 1 1 2 688 1 1 18 GLY HA2 H -0.320 20.435 7.978 1.00 . A A . 18 GLY HA2 1 1 2 689 1 1 18 GLY HA3 H -1.844 20.501 8.851 1.00 . A A . 18 GLY HA3 1 1 2 690 1 1 18 GLY N N -1.804 21.560 7.073 1.00 . A A . 18 GLY N 1 1 2 691 1 1 18 GLY O O -2.878 18.570 7.556 1.00 . A A . 18 GLY O 1 1 2 692 1 1 19 TYR C C -1.000 16.123 6.653 1.00 . A A . 19 TYR C 1 1 2 693 1 1 19 TYR CA C -1.243 17.300 5.714 1.00 . A A . 19 TYR CA 1 1 2 694 1 1 19 TYR CB C -0.378 17.155 4.461 1.00 . A A . 19 TYR CB 1 1 2 695 1 1 19 TYR CD1 C -2.237 16.733 2.804 1.00 . A A . 19 TYR CD1 1 1 2 696 1 1 19 TYR CD2 C -0.436 15.174 2.896 1.00 . A A . 19 TYR CD2 1 1 2 697 1 1 19 TYR CE1 C -2.835 15.990 1.805 1.00 . A A . 19 TYR CE1 1 1 2 698 1 1 19 TYR CE2 C -1.027 14.426 1.896 1.00 . A A . 19 TYR CE2 1 1 2 699 1 1 19 TYR CG C -1.029 16.339 3.367 1.00 . A A . 19 TYR CG 1 1 2 700 1 1 19 TYR CZ C -2.227 14.837 1.355 1.00 . A A . 19 TYR CZ 1 1 2 701 1 1 19 TYR H H -0.122 19.034 6.180 1.00 . A A . 19 TYR H 1 1 2 702 1 1 19 TYR HA H -2.283 17.305 5.423 1.00 . A A . 19 TYR HA 1 1 2 703 1 1 19 TYR HB2 H -0.167 18.135 4.062 1.00 . A A . 19 TYR HB2 1 1 2 704 1 1 19 TYR HB3 H 0.551 16.672 4.728 1.00 . A A . 19 TYR HB3 1 1 2 705 1 1 19 TYR HD1 H -2.711 17.637 3.160 1.00 . A A . 19 TYR HD1 1 1 2 706 1 1 19 TYR HD2 H 0.504 14.854 3.323 1.00 . A A . 19 TYR HD2 1 1 2 707 1 1 19 TYR HE1 H -3.775 16.313 1.381 1.00 . A A . 19 TYR HE1 1 1 2 708 1 1 19 TYR HE2 H -0.551 13.523 1.543 1.00 . A A . 19 TYR HE2 1 1 2 709 1 1 19 TYR HH H -2.142 13.746 -0.225 1.00 . A A . 19 TYR HH 1 1 2 710 1 1 19 TYR N N -0.959 18.565 6.381 1.00 . A A . 19 TYR N 1 1 2 711 1 1 19 TYR O O -0.856 16.298 7.864 1.00 . A A . 19 TYR O 1 1 2 712 1 1 19 TYR OH O -2.819 14.095 0.359 1.00 . A A . 19 TYR OH 1 1 2 713 1 1 20 LEU C C 0.406 13.917 7.869 1.00 . A A . 20 LEU C 1 1 2 714 1 1 20 LEU CA C -0.729 13.713 6.871 1.00 . A A . 20 LEU CA 1 1 2 715 1 1 20 LEU CB C -0.409 12.536 5.949 1.00 . A A . 20 LEU CB 1 1 2 716 1 1 20 LEU CD1 C -1.957 12.586 3.978 1.00 . A A . 20 LEU CD1 1 1 2 717 1 1 20 LEU CD2 C -1.318 10.398 5.006 1.00 . A A . 20 LEU CD2 1 1 2 718 1 1 20 LEU CG C -1.606 11.868 5.272 1.00 . A A . 20 LEU CG 1 1 2 719 1 1 20 LEU H H -1.078 14.846 5.117 1.00 . A A . 20 LEU H 1 1 2 720 1 1 20 LEU HA H -1.637 13.497 7.416 1.00 . A A . 20 LEU HA 1 1 2 721 1 1 20 LEU HB2 H 0.252 12.893 5.174 1.00 . A A . 20 LEU HB2 1 1 2 722 1 1 20 LEU HB3 H 0.101 11.786 6.537 1.00 . A A . 20 LEU HB3 1 1 2 723 1 1 20 LEU HD11 H -2.807 12.106 3.519 1.00 . A A . 20 LEU HD11 1 1 2 724 1 1 20 LEU HD12 H -1.113 12.546 3.304 1.00 . A A . 20 LEU HD12 1 1 2 725 1 1 20 LEU HD13 H -2.196 13.618 4.192 1.00 . A A . 20 LEU HD13 1 1 2 726 1 1 20 LEU HD21 H -1.023 9.917 5.927 1.00 . A A . 20 LEU HD21 1 1 2 727 1 1 20 LEU HD22 H -0.520 10.313 4.284 1.00 . A A . 20 LEU HD22 1 1 2 728 1 1 20 LEU HD23 H -2.206 9.921 4.619 1.00 . A A . 20 LEU HD23 1 1 2 729 1 1 20 LEU HG H -2.463 11.928 5.929 1.00 . A A . 20 LEU HG 1 1 2 730 1 1 20 LEU N N -0.956 14.922 6.086 1.00 . A A . 20 LEU N 1 1 2 731 1 1 20 LEU O O 1.258 14.787 7.687 1.00 . A A . 20 LEU O 1 1 2 732 1 1 21 CYS C C 2.648 12.329 9.586 1.00 . A A . 21 CYS C 1 1 2 733 1 1 21 CYS CA C 1.445 13.195 9.948 1.00 . A A . 21 CYS CA 1 1 2 734 1 1 21 CYS CB C 0.883 12.765 11.305 1.00 . A A . 21 CYS CB 1 1 2 735 1 1 21 CYS H H -0.293 12.432 9.012 1.00 . A A . 21 CYS H 1 1 2 736 1 1 21 CYS HA H 1.764 14.224 10.011 1.00 . A A . 21 CYS HA 1 1 2 737 1 1 21 CYS HB2 H -0.154 12.487 11.184 1.00 . A A . 21 CYS HB2 1 1 2 738 1 1 21 CYS HB3 H 1.440 11.911 11.662 1.00 . A A . 21 CYS HB3 1 1 2 739 1 1 21 CYS N N 0.414 13.106 8.922 1.00 . A A . 21 CYS N 1 1 2 740 1 1 21 CYS O O 2.765 11.855 8.455 1.00 . A A . 21 CYS O 1 1 2 741 1 1 21 CYS SG S 0.963 14.057 12.586 1.00 . A A . 21 CYS SG 1 1 2 742 1 1 22 . C C 5.671 12.018 9.366 1.00 . A A . 22 DBB C 1 1 2 743 1 1 22 . CA C 4.730 11.331 10.338 1.00 . A A . 22 DBB CA 1 1 2 744 1 1 22 . CB C 5.462 11.073 11.671 1.00 . A A . 22 DBB CB 1 1 2 745 1 1 22 . CG C 4.461 10.504 12.677 1.00 . A A . 22 DBB CG 1 1 2 746 1 1 22 . H H 3.380 12.539 11.434 1.00 . A A . 22 DBB H 1 1 2 747 1 1 22 . HA H 4.432 10.380 9.924 1.00 . A A . 22 DBB HA 1 1 2 748 1 1 22 . HB3 H 5.796 12.036 12.040 1.00 . A A . 22 DBB HB3 1 1 2 749 1 1 22 . HG1 H 4.874 10.573 13.671 1.00 . A A . 22 DBB HG1 1 1 2 750 1 1 22 . HG2 H 4.258 9.472 12.439 1.00 . A A . 22 DBB HG2 1 1 2 751 1 1 22 . HG3 H 3.546 11.076 12.627 1.00 . A A . 22 DBB HG3 1 1 2 752 1 1 22 . N N 3.534 12.129 10.549 1.00 . A A . 22 DBB N 1 1 2 753 1 1 22 . O O 6.332 11.362 8.560 1.00 . A A . 22 DBB O 1 1 2 754 1 1 23 VAL C C 7.438 15.102 9.321 1.00 . A A . 23 VAL C 1 1 2 755 1 1 23 VAL CA C 6.570 14.123 8.538 1.00 . A A . 23 VAL CA 1 1 2 756 1 1 23 VAL CB C 5.734 14.906 7.507 1.00 . A A . 23 VAL CB 1 1 2 757 1 1 23 VAL CG1 C 6.618 15.417 6.380 1.00 . A A . 23 VAL CG1 1 1 2 758 1 1 23 VAL CG2 C 4.611 14.037 6.962 1.00 . A A . 23 VAL CG2 1 1 2 759 1 1 23 VAL H H 5.170 13.812 10.094 1.00 . A A . 23 VAL H 1 1 2 760 1 1 23 VAL HA H 7.210 13.437 8.004 1.00 . A A . 23 VAL HA 1 1 2 761 1 1 23 VAL HB H 5.294 15.758 8.004 1.00 . A A . 23 VAL HB 1 1 2 762 1 1 23 VAL HG11 H 7.003 14.579 5.817 1.00 . A A . 23 VAL HG11 1 1 2 763 1 1 23 VAL HG12 H 6.039 16.055 5.729 1.00 . A A . 23 VAL HG12 1 1 2 764 1 1 23 VAL HG13 H 7.442 15.979 6.795 1.00 . A A . 23 VAL HG13 1 1 2 765 1 1 23 VAL HG21 H 4.292 14.419 6.004 1.00 . A A . 23 VAL HG21 1 1 2 766 1 1 23 VAL HG22 H 4.964 13.023 6.848 1.00 . A A . 23 VAL HG22 1 1 2 767 1 1 23 VAL HG23 H 3.777 14.052 7.650 1.00 . A A . 23 VAL HG23 1 1 2 768 1 1 23 VAL N N 5.719 13.345 9.430 1.00 . A A . 23 VAL N 1 1 2 769 1 1 23 VAL O O 7.018 15.629 10.352 1.00 . A A . 23 VAL O 1 1 2 770 1 1 24 . C C 10.209 15.586 10.687 1.00 . A A . 24 DBB C 1 1 2 771 1 1 24 . CA C 9.574 16.245 9.476 1.00 . A A . 24 DBB CA 1 1 2 772 1 1 24 . CB C 10.677 16.696 8.496 1.00 . A A . 24 DBB CB 1 1 2 773 1 1 24 . CG C 10.116 16.655 7.074 1.00 . A A . 24 DBB CG 1 1 2 774 1 1 24 . H H 8.916 14.883 7.994 1.00 . A A . 24 DBB H 1 1 2 775 1 1 24 . HA H 9.027 17.118 9.798 1.00 . A A . 24 DBB HA 1 1 2 776 1 1 24 . HB3 H 11.476 15.967 8.561 1.00 . A A . 24 DBB HB3 1 1 2 777 1 1 24 . HG1 H 10.737 17.253 6.427 1.00 . A A . 24 DBB HG1 1 1 2 778 1 1 24 . HG2 H 9.109 17.043 7.073 1.00 . A A . 24 DBB HG2 1 1 2 779 1 1 24 . HG3 H 10.111 15.632 6.725 1.00 . A A . 24 DBB HG3 1 1 2 780 1 1 24 . N N 8.641 15.339 8.826 1.00 . A A . 24 DBB N 1 1 2 781 1 1 24 . O O 9.891 14.445 11.022 1.00 . A A . 24 DBB O 1 1 2 782 1 1 25 LYS C C 11.003 14.678 13.175 1.00 . A A . 25 LYS C 1 1 2 783 1 1 25 LYS CA C 11.821 15.775 12.501 1.00 . A A . 25 LYS CA 1 1 2 784 1 1 25 LYS CB C 12.107 16.899 13.499 1.00 . A A . 25 LYS CB 1 1 2 785 1 1 25 LYS CD C 14.325 15.962 14.216 1.00 . A A . 25 LYS CD 1 1 2 786 1 1 25 LYS CE C 13.899 15.624 15.637 1.00 . A A . 25 LYS CE 1 1 2 787 1 1 25 LYS CG C 13.587 17.182 13.689 1.00 . A A . 25 LYS CG 1 1 2 788 1 1 25 LYS H H 11.334 17.205 11.018 1.00 . A A . 25 LYS H 1 1 2 789 1 1 25 LYS HA H 12.758 15.355 12.166 1.00 . A A . 25 LYS HA 1 1 2 790 1 1 25 LYS HB2 H 11.631 17.803 13.151 1.00 . A A . 25 LYS HB2 1 1 2 791 1 1 25 LYS HB3 H 11.688 16.628 14.458 1.00 . A A . 25 LYS HB3 1 1 2 792 1 1 25 LYS HD2 H 14.110 15.118 13.578 1.00 . A A . 25 LYS HD2 1 1 2 793 1 1 25 LYS HD3 H 15.387 16.163 14.206 1.00 . A A . 25 LYS HD3 1 1 2 794 1 1 25 LYS HE2 H 14.199 16.429 16.290 1.00 . A A . 25 LYS HE2 1 1 2 795 1 1 25 LYS HE3 H 12.824 15.523 15.662 1.00 . A A . 25 LYS HE3 1 1 2 796 1 1 25 LYS HG2 H 14.015 17.465 12.739 1.00 . A A . 25 LYS HG2 1 1 2 797 1 1 25 LYS HG3 H 13.702 17.993 14.394 1.00 . A A . 25 LYS HG3 1 1 2 798 1 1 25 LYS HZ1 H 13.789 13.619 16.211 1.00 . A A . 25 LYS HZ1 1 1 2 799 1 1 25 LYS HZ2 H 14.969 14.505 17.038 1.00 . A A . 25 LYS HZ2 1 1 2 800 1 1 25 LYS HZ3 H 15.236 14.032 15.437 1.00 . A A . 25 LYS HZ3 1 1 2 801 1 1 25 LYS N N 11.123 16.301 11.333 1.00 . A A . 25 LYS N 1 1 2 802 1 1 25 LYS NZ N 14.516 14.356 16.114 1.00 . A A . 25 LYS NZ 1 1 2 803 1 1 25 LYS O O 11.557 13.708 13.692 1.00 . A A . 25 LYS O 1 1 2 804 1 1 26 GLU C C 9.122 12.448 13.296 1.00 . A A . 26 GLU C 1 1 2 805 1 1 26 GLU CA C 8.791 13.859 13.773 1.00 . A A . 26 GLU CA 1 1 2 806 1 1 26 GLU CB C 7.334 14.191 13.445 1.00 . A A . 26 GLU CB 1 1 2 807 1 1 26 GLU CD C 5.568 15.997 13.396 1.00 . A A . 26 GLU CD 1 1 2 808 1 1 26 GLU CG C 7.051 15.682 13.371 1.00 . A A . 26 GLU CG 1 1 2 809 1 1 26 GLU H H 9.302 15.632 12.735 1.00 . A A . 26 GLU H 1 1 2 810 1 1 26 GLU HA H 8.929 13.906 14.843 1.00 . A A . 26 GLU HA 1 1 2 811 1 1 26 GLU HB2 H 7.082 13.750 12.492 1.00 . A A . 26 GLU HB2 1 1 2 812 1 1 26 GLU HB3 H 6.700 13.764 14.208 1.00 . A A . 26 GLU HB3 1 1 2 813 1 1 26 GLU HG2 H 7.520 16.167 14.214 1.00 . A A . 26 GLU HG2 1 1 2 814 1 1 26 GLU HG3 H 7.471 16.070 12.455 1.00 . A A . 26 GLU HG3 1 1 2 815 1 1 26 GLU N N 9.684 14.838 13.163 1.00 . A A . 26 GLU N 1 1 2 816 1 1 26 GLU O O 9.256 11.524 14.099 1.00 . A A . 26 GLU O 1 1 2 817 1 1 26 GLU OE1 O 4.870 15.495 14.301 1.00 . A A . 26 GLU OE1 1 1 2 818 1 1 26 GLU OE2 O 5.106 16.746 12.510 1.00 . A A . 26 GLU OE2 1 1 2 819 1 1 27 CYS C C 10.828 11.074 10.540 1.00 . A A . 27 CYS C 1 1 2 820 1 1 27 CYS CA C 9.568 10.993 11.397 1.00 . A A . 27 CYS CA 1 1 2 821 1 1 27 CYS CB C 8.394 10.494 10.551 1.00 . A A . 27 CYS CB 1 1 2 822 1 1 27 CYS H H 9.135 13.064 11.393 1.00 . A A . 27 CYS H 1 1 2 823 1 1 27 CYS HA H 9.740 10.297 12.203 1.00 . A A . 27 CYS HA 1 1 2 824 1 1 27 CYS HB2 H 8.094 11.276 9.869 1.00 . A A . 27 CYS HB2 1 1 2 825 1 1 27 CYS HB3 H 8.710 9.630 9.984 1.00 . A A . 27 CYS HB3 1 1 2 826 1 1 27 CYS N N 9.253 12.290 11.983 1.00 . A A . 27 CYS N 1 1 2 827 1 1 27 CYS O O 11.414 10.053 10.181 1.00 . A A . 27 CYS O 1 1 2 828 1 1 27 CYS SG S 6.929 10.015 11.522 1.00 . A A . 27 CYS SG 1 1 2 829 1 1 28 MET C C 13.375 13.501 10.075 1.00 . A A . 28 MET C 1 1 2 830 1 1 28 MET CA C 12.429 12.511 9.402 1.00 . A A . 28 MET CA 1 1 2 831 1 1 28 MET CB C 12.040 13.022 8.014 1.00 . A A . 28 MET CB 1 1 2 832 1 1 28 MET CE C 11.137 12.562 4.638 1.00 . A A . 28 MET CE 1 1 2 833 1 1 28 MET CG C 12.745 12.297 6.879 1.00 . A A . 28 MET CG 1 1 2 834 1 1 28 MET H H 10.729 13.072 10.531 1.00 . A A . 28 MET H 1 1 2 835 1 1 28 MET HA H 12.934 11.563 9.298 1.00 . A A . 28 MET HA 1 1 2 836 1 1 28 MET HB2 H 10.975 12.900 7.884 1.00 . A A . 28 MET HB2 1 1 2 837 1 1 28 MET HB3 H 12.284 14.072 7.948 1.00 . A A . 28 MET HB3 1 1 2 838 1 1 28 MET HE1 H 10.522 13.384 4.301 1.00 . A A . 28 MET HE1 1 1 2 839 1 1 28 MET HE2 H 11.359 11.913 3.804 1.00 . A A . 28 MET HE2 1 1 2 840 1 1 28 MET HE3 H 10.608 12.005 5.397 1.00 . A A . 28 MET HE3 1 1 2 841 1 1 28 MET HG2 H 13.782 12.160 7.146 1.00 . A A . 28 MET HG2 1 1 2 842 1 1 28 MET HG3 H 12.280 11.331 6.745 1.00 . A A . 28 MET HG3 1 1 2 843 1 1 28 MET N N 11.238 12.296 10.216 1.00 . A A . 28 MET N 1 1 2 844 1 1 28 MET O O 13.071 14.685 10.222 1.00 . A A . 28 MET O 1 1 2 845 1 1 28 MET SD S 12.664 13.200 5.321 1.00 . A A . 28 MET SD 1 1 2 846 1 1 29 PRO C C 16.211 14.833 10.204 1.00 . A A . 29 PRO C 1 1 2 847 1 1 29 PRO CA C 15.564 13.833 11.157 1.00 . A A . 29 PRO CA 1 1 2 848 1 1 29 PRO CB C 16.594 12.809 11.639 1.00 . A A . 29 PRO CB 1 1 2 849 1 1 29 PRO CD C 14.979 11.607 10.351 1.00 . A A . 29 PRO CD 1 1 2 850 1 1 29 PRO CG C 16.437 11.650 10.716 1.00 . A A . 29 PRO CG 1 1 2 851 1 1 29 PRO HA H 15.153 14.360 12.005 1.00 . A A . 29 PRO HA 1 1 2 852 1 1 29 PRO HB2 H 17.586 13.235 11.574 1.00 . A A . 29 PRO HB2 1 1 2 853 1 1 29 PRO HB3 H 16.381 12.533 12.660 1.00 . A A . 29 PRO HB3 1 1 2 854 1 1 29 PRO HD2 H 14.856 11.267 9.333 1.00 . A A . 29 PRO HD2 1 1 2 855 1 1 29 PRO HD3 H 14.438 10.967 11.033 1.00 . A A . 29 PRO HD3 1 1 2 856 1 1 29 PRO HG2 H 17.041 11.799 9.834 1.00 . A A . 29 PRO HG2 1 1 2 857 1 1 29 PRO HG3 H 16.724 10.739 11.220 1.00 . A A . 29 PRO HG3 1 1 2 858 1 1 29 PRO N N 14.550 13.008 10.493 1.00 . A A . 29 PRO N 1 1 2 859 1 1 29 PRO O O 16.887 15.767 10.635 1.00 . A A . 29 PRO O 1 1 2 860 1 1 30 SER C C 15.754 16.799 7.778 1.00 . A A . 30 SER C 1 1 2 861 1 1 30 SER CA C 16.566 15.513 7.894 1.00 . A A . 30 SER CA 1 1 2 862 1 1 30 SER CB C 16.614 14.803 6.539 1.00 . A A . 30 SER CB 1 1 2 863 1 1 30 SER H H 15.452 13.868 8.626 1.00 . A A . 30 SER H 1 1 2 864 1 1 30 SER HA H 17.572 15.762 8.196 1.00 . A A . 30 SER HA 1 1 2 865 1 1 30 SER HB2 H 16.743 13.743 6.696 1.00 . A A . 30 SER HB2 1 1 2 866 1 1 30 SER HB3 H 15.688 14.979 6.011 1.00 . A A . 30 SER HB3 1 1 2 867 1 1 30 SER HG H 18.518 15.127 6.209 1.00 . A A . 30 SER HG 1 1 2 868 1 1 30 SER N N 16.000 14.630 8.908 1.00 . A A . 30 SER N 1 1 2 869 1 1 30 SER O O 15.722 17.434 6.724 1.00 . A A . 30 SER O 1 1 2 870 1 1 30 SER OG O 17.689 15.283 5.751 1.00 . A A . 30 SER OG 1 1 2 871 1 1 31 CYS C C 15.097 19.579 9.392 1.00 . A A . 31 CYS C 1 1 2 872 1 1 31 CYS CA C 14.284 18.387 8.894 1.00 . A A . 31 CYS CA 1 1 2 873 1 1 31 CYS CB C 13.057 18.184 9.785 1.00 . A A . 31 CYS CB 1 1 2 874 1 1 31 CYS H H 15.162 16.629 9.681 1.00 . A A . 31 CYS H 1 1 2 875 1 1 31 CYS HA H 13.957 18.587 7.885 1.00 . A A . 31 CYS HA 1 1 2 876 1 1 31 CYS HB2 H 13.098 17.196 10.221 1.00 . A A . 31 CYS HB2 1 1 2 877 1 1 31 CYS HB3 H 13.069 18.921 10.574 1.00 . A A . 31 CYS HB3 1 1 2 878 1 1 31 CYS N N 15.098 17.177 8.870 1.00 . A A . 31 CYS N 1 1 2 879 1 1 31 CYS O O 16.265 19.440 9.752 1.00 . A A . 31 CYS O 1 1 2 880 1 1 31 CYS SG S 11.468 18.335 8.907 1.00 . A A . 31 CYS SG 1 1 2 881 1 1 32 ASN C C 14.150 22.886 10.583 1.00 . A A . 32 ASN C 1 1 2 882 1 1 32 ASN CA C 15.132 21.967 9.863 1.00 . A A . 32 ASN CA 1 1 2 883 1 1 32 ASN CB C 15.761 22.702 8.678 1.00 . A A . 32 ASN CB 1 1 2 884 1 1 32 ASN CG C 14.725 23.375 7.799 1.00 . A A . 32 ASN CG 1 1 2 885 1 1 32 ASN H H 13.536 20.797 9.110 1.00 . A A . 32 ASN H 1 1 2 886 1 1 32 ASN HA H 15.912 21.681 10.553 1.00 . A A . 32 ASN HA 1 1 2 887 1 1 32 ASN HB2 H 16.437 23.459 9.049 1.00 . A A . 32 ASN HB2 1 1 2 888 1 1 32 ASN HB3 H 16.314 21.996 8.076 1.00 . A A . 32 ASN HB3 1 1 2 889 1 1 32 ASN HD21 H 14.052 21.604 7.194 1.00 . A A . 32 ASN HD21 1 1 2 890 1 1 32 ASN HD22 H 13.249 22.981 6.526 1.00 . A A . 32 ASN HD22 1 1 2 891 1 1 32 ASN N N 14.468 20.750 9.410 1.00 . A A . 32 ASN N 1 1 2 892 1 1 32 ASN ND2 N 13.928 22.572 7.103 1.00 . A A . 32 ASN ND2 1 1 2 893 1 1 32 ASN O O 14.472 24.033 10.893 1.00 . A A . 32 ASN O 1 1 2 894 1 1 32 ASN OD1 O 14.641 24.602 7.747 1.00 . A A . 32 ASN OD1 1 1 3 895 1 1 1 2KT C1 C 2.300 5.065 16.385 1.00 . A A . 1 2KT C1 1 1 3 896 1 1 1 2KT C2 C 1.907 3.956 15.743 1.00 . A A . 1 2KT C2 1 1 3 897 1 1 1 2KT C3 C 0.750 3.472 15.957 1.00 . A A . 1 2KT C3 1 1 3 898 1 1 1 2KT C4 C -0.219 4.223 15.558 1.00 . A A . 1 2KT C4 1 1 3 899 1 1 1 2KT H31 H 0.424 3.354 16.895 1.00 . A A . 1 2KT H31 1 1 3 900 1 1 1 2KT H32 H 0.523 2.555 15.629 1.00 . A A . 1 2KT H32 1 1 3 901 1 1 1 2KT H41 H -0.433 5.067 16.050 1.00 . A A . 1 2KT H41 1 1 3 902 1 1 1 2KT H42 H -0.201 4.616 14.638 1.00 . A A . 1 2KT H42 1 1 3 903 1 1 1 2KT H43 H -1.150 3.860 15.521 1.00 . A A . 1 2KT H43 1 1 3 904 1 1 1 2KT O1 O 1.496 5.606 17.145 1.00 . A A . 1 2KT O1 1 1 3 905 1 1 1 2KT O3 O 2.689 3.425 14.950 1.00 . A A . 1 2KT O3 1 1 3 906 1 1 2 ILE C C 3.078 7.914 16.592 1.00 . A A . 2 ILE C 1 1 3 907 1 1 2 ILE CA C 4.010 6.733 16.844 1.00 . A A . 2 ILE CA 1 1 3 908 1 1 2 ILE CB C 5.429 7.105 16.376 1.00 . A A . 2 ILE CB 1 1 3 909 1 1 2 ILE CD1 C 5.966 4.716 17.073 1.00 . A A . 2 ILE CD1 1 1 3 910 1 1 2 ILE CG1 C 6.246 5.841 16.101 1.00 . A A . 2 ILE CG1 1 1 3 911 1 1 2 ILE CG2 C 6.120 7.972 17.418 1.00 . A A . 2 ILE CG2 1 1 3 912 1 1 2 ILE H H 4.120 5.055 15.560 1.00 . A A . 2 ILE H 1 1 3 913 1 1 2 ILE HA H 4.043 6.534 17.906 1.00 . A A . 2 ILE HA 1 1 3 914 1 1 2 ILE HB H 5.345 7.677 15.465 1.00 . A A . 2 ILE HB 1 1 3 915 1 1 2 ILE HD11 H 5.304 3.998 16.610 1.00 . A A . 2 ILE HD11 1 1 3 916 1 1 2 ILE HD12 H 6.893 4.230 17.338 1.00 . A A . 2 ILE HD12 1 1 3 917 1 1 2 ILE HD13 H 5.500 5.115 17.961 1.00 . A A . 2 ILE HD13 1 1 3 918 1 1 2 ILE HG12 H 6.022 5.484 15.108 1.00 . A A . 2 ILE HG12 1 1 3 919 1 1 2 ILE HG13 H 7.298 6.080 16.163 1.00 . A A . 2 ILE HG13 1 1 3 920 1 1 2 ILE HG21 H 7.032 7.490 17.740 1.00 . A A . 2 ILE HG21 1 1 3 921 1 1 2 ILE HG22 H 6.355 8.933 16.987 1.00 . A A . 2 ILE HG22 1 1 3 922 1 1 2 ILE HG23 H 5.466 8.107 18.266 1.00 . A A . 2 ILE HG23 1 1 3 923 1 1 2 ILE N N 3.526 5.531 16.177 1.00 . A A . 2 ILE N 1 1 3 924 1 1 2 ILE O O 2.587 8.101 15.478 1.00 . A A . 2 ILE O 1 1 3 925 1 1 3 . C C 0.927 9.844 18.632 1.00 . A A . 3 DBB C 1 1 3 926 1 1 3 . CA C 1.968 9.859 17.528 1.00 . A A . 3 DBB CA 1 1 3 927 1 1 3 . CB C 2.780 11.169 17.601 1.00 . A A . 3 DBB CB 1 1 3 928 1 1 3 . CG C 3.930 11.090 16.598 1.00 . A A . 3 DBB CG 1 1 3 929 1 1 3 . H H 3.268 8.495 18.494 1.00 . A A . 3 DBB H 1 1 3 930 1 1 3 . HA H 1.467 9.822 16.573 1.00 . A A . 3 DBB HA 1 1 3 931 1 1 3 . HB3 H 3.207 11.222 18.596 1.00 . A A . 3 DBB HB3 1 1 3 932 1 1 3 . HG1 H 4.489 12.012 16.621 1.00 . A A . 3 DBB HG1 1 1 3 933 1 1 3 . HG2 H 3.533 10.931 15.607 1.00 . A A . 3 DBB HG2 1 1 3 934 1 1 3 . HG3 H 4.578 10.268 16.867 1.00 . A A . 3 DBB HG3 1 1 3 935 1 1 3 . N N 2.842 8.702 17.628 1.00 . A A . 3 DBB N 1 1 3 936 1 1 3 . O O 0.644 10.875 19.243 1.00 . A A . 3 DBB O 1 1 3 937 1 1 4 LEU C C -0.464 9.522 21.038 1.00 . A A . 4 LEU C 1 1 3 938 1 1 4 LEU CA C -0.689 8.535 19.897 1.00 . A A . 4 LEU CA 1 1 3 939 1 1 4 LEU CB C -0.704 7.105 20.439 1.00 . A A . 4 LEU CB 1 1 3 940 1 1 4 LEU CD1 C -0.741 5.475 18.535 1.00 . A A . 4 LEU CD1 1 1 3 941 1 1 4 LEU CD2 C -2.095 5.024 20.589 1.00 . A A . 4 LEU CD2 1 1 3 942 1 1 4 LEU CG C -1.552 6.100 19.659 1.00 . A A . 4 LEU CG 1 1 3 943 1 1 4 LEU H H 0.610 7.890 18.356 1.00 . A A . 4 LEU H 1 1 3 944 1 1 4 LEU HA H -1.642 8.747 19.436 1.00 . A A . 4 LEU HA 1 1 3 945 1 1 4 LEU HB2 H 0.312 6.743 20.447 1.00 . A A . 4 LEU HB2 1 1 3 946 1 1 4 LEU HB3 H -1.080 7.140 21.452 1.00 . A A . 4 LEU HB3 1 1 3 947 1 1 4 LEU HD11 H 0.210 5.140 18.921 1.00 . A A . 4 LEU HD11 1 1 3 948 1 1 4 LEU HD12 H -0.576 6.208 17.760 1.00 . A A . 4 LEU HD12 1 1 3 949 1 1 4 LEU HD13 H -1.281 4.634 18.126 1.00 . A A . 4 LEU HD13 1 1 3 950 1 1 4 LEU HD21 H -1.800 4.052 20.225 1.00 . A A . 4 LEU HD21 1 1 3 951 1 1 4 LEU HD22 H -3.173 5.086 20.620 1.00 . A A . 4 LEU HD22 1 1 3 952 1 1 4 LEU HD23 H -1.698 5.174 21.583 1.00 . A A . 4 LEU HD23 1 1 3 953 1 1 4 LEU HG H -2.393 6.615 19.216 1.00 . A A . 4 LEU HG 1 1 3 954 1 1 4 LEU N N 0.343 8.676 18.875 1.00 . A A . 4 LEU N 1 1 3 955 1 1 4 LEU O O 0.647 9.607 21.570 1.00 . A A . 4 LEU O 1 1 3 956 1 1 5 DHA C C -1.832 12.503 22.199 1.00 . A A . 5 DHA C 1 1 3 957 1 1 5 DHA CA C -1.431 11.166 22.417 1.00 . A A . 5 DHA CA 1 1 3 958 1 1 5 DHA CB C -0.999 10.786 23.625 1.00 . A A . 5 DHA CB 1 1 3 959 1 1 5 DHA H H -2.342 10.091 20.902 1.00 . A A . 5 DHA H 1 1 3 960 1 1 5 DHA HB1 H -0.702 9.762 23.797 1.00 . A A . 5 DHA HB1 1 1 3 961 1 1 5 DHA HB2 H -0.978 11.492 24.435 1.00 . A A . 5 DHA HB2 1 1 3 962 1 1 5 DHA N N -1.517 10.251 21.400 1.00 . A A . 5 DHA N 1 1 3 963 1 1 5 DHA O O -3.027 12.808 22.124 1.00 . A A . 5 DHA O 1 1 3 964 1 1 6 DBU C C -0.600 15.302 20.446 1.00 . A A . 6 DBU C 1 1 3 965 1 1 6 DBU CA C -1.141 14.670 21.716 1.00 . A A . 6 DBU CA 1 1 3 966 1 1 6 DBU CB C -1.906 15.389 22.553 1.00 . A A . 6 DBU CB 1 1 3 967 1 1 6 DBU CG C -2.431 14.739 23.800 1.00 . A A . 6 DBU CG 1 1 3 968 1 1 6 DBU H1 H 0.069 13.023 22.078 1.00 . A A . 6 DBU H1 1 1 3 969 1 1 6 DBU HB1 H -2.132 16.422 22.330 1.00 . A A . 6 DBU HB1 1 1 3 970 1 1 6 DBU HG1 H -3.427 14.368 23.622 1.00 . A A . 6 DBU HG1 1 1 3 971 1 1 6 DBU HG2 H -2.462 15.461 24.599 1.00 . A A . 6 DBU HG2 1 1 3 972 1 1 6 DBU HG3 H -1.779 13.920 24.073 1.00 . A A . 6 DBU HG3 1 1 3 973 1 1 6 DBU N N -0.846 13.369 21.994 1.00 . A A . 6 DBU N 1 1 3 974 1 1 6 DBU O O -0.943 16.433 20.099 1.00 . A A . 6 DBU O 1 1 3 975 1 1 7 CYS C C -0.076 15.036 17.380 1.00 . A A . 7 CYS C 1 1 3 976 1 1 7 CYS CA C 0.905 15.069 18.548 1.00 . A A . 7 CYS CA 1 1 3 977 1 1 7 CYS CB C 2.144 14.236 18.212 1.00 . A A . 7 CYS CB 1 1 3 978 1 1 7 CYS H H 0.512 13.678 20.094 1.00 . A A . 7 CYS H 1 1 3 979 1 1 7 CYS HA H 1.206 16.091 18.722 1.00 . A A . 7 CYS HA 1 1 3 980 1 1 7 CYS HB2 H 2.790 14.811 17.564 1.00 . A A . 7 CYS HB2 1 1 3 981 1 1 7 CYS HB3 H 2.672 14.005 19.125 1.00 . A A . 7 CYS HB3 1 1 3 982 1 1 7 CYS N N 0.278 14.573 19.767 1.00 . A A . 7 CYS N 1 1 3 983 1 1 7 CYS O O -0.199 16.007 16.633 1.00 . A A . 7 CYS O 1 1 3 984 1 1 7 CYS SG S 1.776 12.663 17.370 1.00 . A A . 7 CYS SG 1 1 3 985 1 1 8 ALA C C -3.046 14.477 16.481 1.00 . A A . 8 ALA C 1 1 3 986 1 1 8 ALA CA C -1.743 13.756 16.154 1.00 . A A . 8 ALA CA 1 1 3 987 1 1 8 ALA CB C -2.005 12.280 15.893 1.00 . A A . 8 ALA CB 1 1 3 988 1 1 8 ALA H H -0.628 13.175 17.857 1.00 . A A . 8 ALA H 1 1 3 989 1 1 8 ALA HA H -1.320 14.185 15.257 1.00 . A A . 8 ALA HA 1 1 3 990 1 1 8 ALA HB1 H -2.463 11.837 16.766 1.00 . A A . 8 ALA HB1 1 1 3 991 1 1 8 ALA HB2 H -2.668 12.177 15.048 1.00 . A A . 8 ALA HB2 1 1 3 992 1 1 8 ALA HB3 H -1.072 11.780 15.683 1.00 . A A . 8 ALA HB3 1 1 3 993 1 1 8 ALA N N -0.771 13.914 17.229 1.00 . A A . 8 ALA N 1 1 3 994 1 1 8 ALA O O -4.003 14.431 15.708 1.00 . A A . 8 ALA O 1 1 3 995 1 1 9 ILE C C -4.158 17.351 17.693 1.00 . A A . 9 ILE C 1 1 3 996 1 1 9 ILE CA C -4.261 15.874 18.059 1.00 . A A . 9 ILE CA 1 1 3 997 1 1 9 ILE CB C -4.484 15.747 19.577 1.00 . A A . 9 ILE CB 1 1 3 998 1 1 9 ILE CD1 C -5.205 14.053 21.335 1.00 . A A . 9 ILE CD1 1 1 3 999 1 1 9 ILE CG1 C -4.567 14.273 19.981 1.00 . A A . 9 ILE CG1 1 1 3 1000 1 1 9 ILE CG2 C -5.747 16.487 19.992 1.00 . A A . 9 ILE CG2 1 1 3 1001 1 1 9 ILE H H -2.281 15.142 18.204 1.00 . A A . 9 ILE H 1 1 3 1002 1 1 9 ILE HA H -5.116 15.448 17.553 1.00 . A A . 9 ILE HA 1 1 3 1003 1 1 9 ILE HB H -3.646 16.204 20.081 1.00 . A A . 9 ILE HB 1 1 3 1004 1 1 9 ILE HD11 H -5.156 13.003 21.588 1.00 . A A . 9 ILE HD11 1 1 3 1005 1 1 9 ILE HD12 H -4.675 14.627 22.081 1.00 . A A . 9 ILE HD12 1 1 3 1006 1 1 9 ILE HD13 H -6.237 14.367 21.302 1.00 . A A . 9 ILE HD13 1 1 3 1007 1 1 9 ILE HG12 H -5.150 13.738 19.249 1.00 . A A . 9 ILE HG12 1 1 3 1008 1 1 9 ILE HG13 H -3.569 13.860 20.012 1.00 . A A . 9 ILE HG13 1 1 3 1009 1 1 9 ILE HG21 H -6.612 15.965 19.609 1.00 . A A . 9 ILE HG21 1 1 3 1010 1 1 9 ILE HG22 H -5.801 16.530 21.069 1.00 . A A . 9 ILE HG22 1 1 3 1011 1 1 9 ILE HG23 H -5.725 17.489 19.591 1.00 . A A . 9 ILE HG23 1 1 3 1012 1 1 9 ILE N N -3.075 15.143 17.631 1.00 . A A . 9 ILE N 1 1 3 1013 1 1 9 ILE O O -5.098 17.935 17.152 1.00 . A A . 9 ILE O 1 1 3 1014 1 1 10 LEU C C -2.041 19.522 16.369 1.00 . A A . 10 LEU C 1 1 3 1015 1 1 10 LEU CA C -2.782 19.359 17.692 1.00 . A A . 10 LEU CA 1 1 3 1016 1 1 10 LEU CB C -1.985 20.017 18.820 1.00 . A A . 10 LEU CB 1 1 3 1017 1 1 10 LEU CD1 C -1.541 22.344 18.000 1.00 . A A . 10 LEU CD1 1 1 3 1018 1 1 10 LEU CD2 C -3.747 21.787 19.038 1.00 . A A . 10 LEU CD2 1 1 3 1019 1 1 10 LEU CG C -2.252 21.505 19.051 1.00 . A A . 10 LEU CG 1 1 3 1020 1 1 10 LEU H H -2.298 17.432 18.422 1.00 . A A . 10 LEU H 1 1 3 1021 1 1 10 LEU HA H -3.745 19.841 17.614 1.00 . A A . 10 LEU HA 1 1 3 1022 1 1 10 LEU HB2 H -2.215 19.495 19.736 1.00 . A A . 10 LEU HB2 1 1 3 1023 1 1 10 LEU HB3 H -0.935 19.899 18.595 1.00 . A A . 10 LEU HB3 1 1 3 1024 1 1 10 LEU HD11 H -2.150 22.399 17.111 1.00 . A A . 10 LEU HD11 1 1 3 1025 1 1 10 LEU HD12 H -0.591 21.889 17.758 1.00 . A A . 10 LEU HD12 1 1 3 1026 1 1 10 LEU HD13 H -1.374 23.339 18.386 1.00 . A A . 10 LEU HD13 1 1 3 1027 1 1 10 LEU HD21 H -4.286 20.881 19.269 1.00 . A A . 10 LEU HD21 1 1 3 1028 1 1 10 LEU HD22 H -4.038 22.140 18.060 1.00 . A A . 10 LEU HD22 1 1 3 1029 1 1 10 LEU HD23 H -3.977 22.542 19.776 1.00 . A A . 10 LEU HD23 1 1 3 1030 1 1 10 LEU HG H -1.865 21.788 20.020 1.00 . A A . 10 LEU HG 1 1 3 1031 1 1 10 LEU N N -3.010 17.949 17.991 1.00 . A A . 10 LEU N 1 1 3 1032 1 1 10 LEU O O -1.388 20.539 16.127 1.00 . A A . 10 LEU O 1 1 3 1033 1 1 11 DAL C C -2.065 19.648 13.329 1.00 . A A . 11 DAL C 1 1 3 1034 1 1 11 DAL CA C -1.486 18.550 14.219 1.00 . A A . 11 DAL CA 1 1 3 1035 1 1 11 DAL CB C 0.012 18.773 14.404 1.00 . A A . 11 DAL CB 1 1 3 1036 1 1 11 DAL H H -2.680 17.730 15.756 1.00 . A A . 11 DAL H 1 1 3 1037 1 1 11 DAL HA H -1.641 17.593 13.745 1.00 . A A . 11 DAL HA 1 1 3 1038 1 1 11 DAL HB2 H 0.232 18.811 15.459 1.00 . A A . 11 DAL HB2 1 1 3 1039 1 1 11 DAL HB3 H 0.286 19.720 13.950 1.00 . A A . 11 DAL HB3 1 1 3 1040 1 1 11 DAL N N -2.147 18.519 15.514 1.00 . A A . 11 DAL N 1 1 3 1041 1 1 11 DAL O O -2.998 20.353 13.714 1.00 . A A . 11 DAL O 1 1 3 1042 1 1 12 LYS C C -3.423 20.599 10.840 1.00 . A A . 12 LYS C 1 1 3 1043 1 1 12 LYS CA C -1.951 20.799 11.186 1.00 . A A . 12 LYS CA 1 1 3 1044 1 1 12 LYS CB C -1.105 20.748 9.912 1.00 . A A . 12 LYS CB 1 1 3 1045 1 1 12 LYS CD C -0.255 19.348 8.007 1.00 . A A . 12 LYS CD 1 1 3 1046 1 1 12 LYS CE C 1.251 19.553 8.052 1.00 . A A . 12 LYS CE 1 1 3 1047 1 1 12 LYS CG C -0.857 19.339 9.403 1.00 . A A . 12 LYS CG 1 1 3 1048 1 1 12 LYS H H -0.758 19.195 11.885 1.00 . A A . 12 LYS H 1 1 3 1049 1 1 12 LYS HA H -1.831 21.766 11.650 1.00 . A A . 12 LYS HA 1 1 3 1050 1 1 12 LYS HB2 H -1.609 21.305 9.137 1.00 . A A . 12 LYS HB2 1 1 3 1051 1 1 12 LYS HB3 H -0.148 21.209 10.111 1.00 . A A . 12 LYS HB3 1 1 3 1052 1 1 12 LYS HD2 H -0.465 18.403 7.528 1.00 . A A . 12 LYS HD2 1 1 3 1053 1 1 12 LYS HD3 H -0.703 20.150 7.437 1.00 . A A . 12 LYS HD3 1 1 3 1054 1 1 12 LYS HE2 H 1.483 20.251 8.842 1.00 . A A . 12 LYS HE2 1 1 3 1055 1 1 12 LYS HE3 H 1.724 18.605 8.259 1.00 . A A . 12 LYS HE3 1 1 3 1056 1 1 12 LYS HG2 H -0.176 18.837 10.074 1.00 . A A . 12 LYS HG2 1 1 3 1057 1 1 12 LYS HG3 H -1.797 18.805 9.376 1.00 . A A . 12 LYS HG3 1 1 3 1058 1 1 12 LYS HZ1 H 2.796 20.275 6.845 1.00 . A A . 12 LYS HZ1 1 1 3 1059 1 1 12 LYS HZ2 H 1.289 20.971 6.519 1.00 . A A . 12 LYS HZ2 1 1 3 1060 1 1 12 LYS HZ3 H 1.622 19.396 6.002 1.00 . A A . 12 LYS HZ3 1 1 3 1061 1 1 12 LYS N N -1.499 19.788 12.135 1.00 . A A . 12 LYS N 1 1 3 1062 1 1 12 LYS NZ N 1.776 20.086 6.764 1.00 . A A . 12 LYS NZ 1 1 3 1063 1 1 12 LYS O O -3.970 19.503 10.957 1.00 . A A . 12 LYS O 1 1 3 1064 1 1 13 PRO C C -5.741 20.865 8.744 1.00 . A A . 13 PRO C 1 1 3 1065 1 1 13 PRO CA C -5.498 21.652 10.027 1.00 . A A . 13 PRO CA 1 1 3 1066 1 1 13 PRO CB C -5.844 23.129 9.822 1.00 . A A . 13 PRO CB 1 1 3 1067 1 1 13 PRO CD C -3.492 23.023 10.238 1.00 . A A . 13 PRO CD 1 1 3 1068 1 1 13 PRO CG C -4.548 23.777 9.477 1.00 . A A . 13 PRO CG 1 1 3 1069 1 1 13 PRO HA H -6.109 21.244 10.819 1.00 . A A . 13 PRO HA 1 1 3 1070 1 1 13 PRO HB2 H -6.561 23.225 9.019 1.00 . A A . 13 PRO HB2 1 1 3 1071 1 1 13 PRO HB3 H -6.258 23.535 10.733 1.00 . A A . 13 PRO HB3 1 1 3 1072 1 1 13 PRO HD2 H -2.577 22.975 9.666 1.00 . A A . 13 PRO HD2 1 1 3 1073 1 1 13 PRO HD3 H -3.316 23.486 11.198 1.00 . A A . 13 PRO HD3 1 1 3 1074 1 1 13 PRO HG2 H -4.371 23.701 8.415 1.00 . A A . 13 PRO HG2 1 1 3 1075 1 1 13 PRO HG3 H -4.562 24.812 9.784 1.00 . A A . 13 PRO HG3 1 1 3 1076 1 1 13 PRO N N -4.081 21.683 10.402 1.00 . A A . 13 PRO N 1 1 3 1077 1 1 13 PRO O O -4.883 20.099 8.301 1.00 . A A . 13 PRO O 1 1 3 1078 1 1 14 LEU C C -6.247 20.648 5.820 1.00 . A A . 14 LEU C 1 1 3 1079 1 1 14 LEU CA C -7.269 20.366 6.916 1.00 . A A . 14 LEU CA 1 1 3 1080 1 1 14 LEU CB C -8.663 20.793 6.452 1.00 . A A . 14 LEU CB 1 1 3 1081 1 1 14 LEU CD1 C -9.942 18.759 7.165 1.00 . A A . 14 LEU CD1 1 1 3 1082 1 1 14 LEU CD2 C -10.855 20.241 5.369 1.00 . A A . 14 LEU CD2 1 1 3 1083 1 1 14 LEU CG C -9.593 19.668 5.997 1.00 . A A . 14 LEU CG 1 1 3 1084 1 1 14 LEU H H -7.556 21.680 8.550 1.00 . A A . 14 LEU H 1 1 3 1085 1 1 14 LEU HA H -7.276 19.306 7.121 1.00 . A A . 14 LEU HA 1 1 3 1086 1 1 14 LEU HB2 H -9.141 21.306 7.272 1.00 . A A . 14 LEU HB2 1 1 3 1087 1 1 14 LEU HB3 H -8.540 21.477 5.625 1.00 . A A . 14 LEU HB3 1 1 3 1088 1 1 14 LEU HD11 H -9.887 19.319 8.086 1.00 . A A . 14 LEU HD11 1 1 3 1089 1 1 14 LEU HD12 H -9.244 17.936 7.202 1.00 . A A . 14 LEU HD12 1 1 3 1090 1 1 14 LEU HD13 H -10.944 18.375 7.036 1.00 . A A . 14 LEU HD13 1 1 3 1091 1 1 14 LEU HD21 H -11.704 20.016 5.998 1.00 . A A . 14 LEU HD21 1 1 3 1092 1 1 14 LEU HD22 H -11.003 19.802 4.394 1.00 . A A . 14 LEU HD22 1 1 3 1093 1 1 14 LEU HD23 H -10.754 21.312 5.270 1.00 . A A . 14 LEU HD23 1 1 3 1094 1 1 14 LEU HG H -9.088 19.072 5.250 1.00 . A A . 14 LEU HG 1 1 3 1095 1 1 14 LEU N N -6.914 21.058 8.150 1.00 . A A . 14 LEU N 1 1 3 1096 1 1 14 LEU O O -5.142 21.115 6.092 1.00 . A A . 14 LEU O 1 1 3 1097 1 1 15 GLY C C -4.590 19.598 3.412 1.00 . A A . 15 GLY C 1 1 3 1098 1 1 15 GLY CA C -5.731 20.594 3.458 1.00 . A A . 15 GLY CA 1 1 3 1099 1 1 15 GLY H H -7.519 19.992 4.420 1.00 . A A . 15 GLY H 1 1 3 1100 1 1 15 GLY HA2 H -6.295 20.522 2.540 1.00 . A A . 15 GLY HA2 1 1 3 1101 1 1 15 GLY HA3 H -5.321 21.590 3.540 1.00 . A A . 15 GLY HA3 1 1 3 1102 1 1 15 GLY N N -6.625 20.362 4.577 1.00 . A A . 15 GLY N 1 1 3 1103 1 1 15 GLY O O -4.474 18.736 4.283 1.00 . A A . 15 GLY O 1 1 3 1104 1 1 16 ASN C C -3.030 17.363 2.443 1.00 . A A . 16 ASN C 1 1 3 1105 1 1 16 ASN CA C -2.608 18.815 2.236 1.00 . A A . 16 ASN CA 1 1 3 1106 1 1 16 ASN CB C -1.500 19.181 3.225 1.00 . A A . 16 ASN CB 1 1 3 1107 1 1 16 ASN CG C -1.890 18.893 4.662 1.00 . A A . 16 ASN CG 1 1 3 1108 1 1 16 ASN H H -3.890 20.421 1.730 1.00 . A A . 16 ASN H 1 1 3 1109 1 1 16 ASN HA H -2.232 18.928 1.230 1.00 . A A . 16 ASN HA 1 1 3 1110 1 1 16 ASN HB2 H -0.613 18.610 2.991 1.00 . A A . 16 ASN HB2 1 1 3 1111 1 1 16 ASN HB3 H -1.279 20.234 3.136 1.00 . A A . 16 ASN HB3 1 1 3 1112 1 1 16 ASN HD21 H -1.018 17.108 4.565 1.00 . A A . 16 ASN HD21 1 1 3 1113 1 1 16 ASN HD22 H -1.756 17.503 6.077 1.00 . A A . 16 ASN HD22 1 1 3 1114 1 1 16 ASN N N -3.745 19.714 2.393 1.00 . A A . 16 ASN N 1 1 3 1115 1 1 16 ASN ND2 N -1.517 17.715 5.151 1.00 . A A . 16 ASN ND2 1 1 3 1116 1 1 16 ASN O O -4.218 17.044 2.432 1.00 . A A . 16 ASN O 1 1 3 1117 1 1 16 ASN OD1 O -2.518 19.718 5.325 1.00 . A A . 16 ASN OD1 1 1 3 1118 1 1 17 ASN C C -3.458 14.874 3.835 1.00 . A A . 17 ASN C 1 1 3 1119 1 1 17 ASN CA C -2.316 15.070 2.842 1.00 . A A . 17 ASN CA 1 1 3 1120 1 1 17 ASN CB C -1.058 14.360 3.346 1.00 . A A . 17 ASN CB 1 1 3 1121 1 1 17 ASN CG C -1.071 12.875 3.042 1.00 . A A . 17 ASN CG 1 1 3 1122 1 1 17 ASN H H -1.119 16.803 2.630 1.00 . A A . 17 ASN H 1 1 3 1123 1 1 17 ASN HA H -2.603 14.644 1.893 1.00 . A A . 17 ASN HA 1 1 3 1124 1 1 17 ASN HB2 H -0.191 14.797 2.873 1.00 . A A . 17 ASN HB2 1 1 3 1125 1 1 17 ASN HB3 H -0.983 14.490 4.416 1.00 . A A . 17 ASN HB3 1 1 3 1126 1 1 17 ASN HD21 H 0.590 12.618 4.104 1.00 . A A . 17 ASN HD21 1 1 3 1127 1 1 17 ASN HD22 H -0.067 11.193 3.380 1.00 . A A . 17 ASN HD22 1 1 3 1128 1 1 17 ASN N N -2.047 16.488 2.632 1.00 . A A . 17 ASN N 1 1 3 1129 1 1 17 ASN ND2 N -0.083 12.156 3.561 1.00 . A A . 17 ASN ND2 1 1 3 1130 1 1 17 ASN O O -4.552 14.452 3.464 1.00 . A A . 17 ASN O 1 1 3 1131 1 1 17 ASN OD1 O -1.960 12.380 2.348 1.00 . A A . 17 ASN OD1 1 1 3 1132 1 1 18 GLY C C -3.882 13.929 7.109 1.00 . A A . 18 GLY C 1 1 3 1133 1 1 18 GLY CA C -4.208 15.038 6.128 1.00 . A A . 18 GLY CA 1 1 3 1134 1 1 18 GLY H H -2.303 15.518 5.338 1.00 . A A . 18 GLY H 1 1 3 1135 1 1 18 GLY HA2 H -4.296 15.968 6.668 1.00 . A A . 18 GLY HA2 1 1 3 1136 1 1 18 GLY HA3 H -5.154 14.817 5.655 1.00 . A A . 18 GLY HA3 1 1 3 1137 1 1 18 GLY N N -3.194 15.186 5.101 1.00 . A A . 18 GLY N 1 1 3 1138 1 1 18 GLY O O -4.715 13.558 7.936 1.00 . A A . 18 GLY O 1 1 3 1139 1 1 19 TYR C C -1.997 12.842 9.315 1.00 . A A . 19 TYR C 1 1 3 1140 1 1 19 TYR CA C -2.236 12.322 7.901 1.00 . A A . 19 TYR CA 1 1 3 1141 1 1 19 TYR CB C -0.960 11.673 7.362 1.00 . A A . 19 TYR CB 1 1 3 1142 1 1 19 TYR CD1 C -1.852 9.317 7.536 1.00 . A A . 19 TYR CD1 1 1 3 1143 1 1 19 TYR CD2 C 0.363 9.741 8.308 1.00 . A A . 19 TYR CD2 1 1 3 1144 1 1 19 TYR CE1 C -1.723 7.986 7.883 1.00 . A A . 19 TYR CE1 1 1 3 1145 1 1 19 TYR CE2 C 0.501 8.411 8.657 1.00 . A A . 19 TYR CE2 1 1 3 1146 1 1 19 TYR CG C -0.814 10.217 7.743 1.00 . A A . 19 TYR CG 1 1 3 1147 1 1 19 TYR CZ C -0.545 7.538 8.443 1.00 . A A . 19 TYR CZ 1 1 3 1148 1 1 19 TYR H H -2.049 13.736 6.337 1.00 . A A . 19 TYR H 1 1 3 1149 1 1 19 TYR HA H -3.021 11.580 7.929 1.00 . A A . 19 TYR HA 1 1 3 1150 1 1 19 TYR HB2 H -0.960 11.735 6.285 1.00 . A A . 19 TYR HB2 1 1 3 1151 1 1 19 TYR HB3 H -0.103 12.204 7.749 1.00 . A A . 19 TYR HB3 1 1 3 1152 1 1 19 TYR HD1 H -2.773 9.671 7.097 1.00 . A A . 19 TYR HD1 1 1 3 1153 1 1 19 TYR HD2 H 1.180 10.427 8.475 1.00 . A A . 19 TYR HD2 1 1 3 1154 1 1 19 TYR HE1 H -2.542 7.302 7.715 1.00 . A A . 19 TYR HE1 1 1 3 1155 1 1 19 TYR HE2 H 1.423 8.060 9.096 1.00 . A A . 19 TYR HE2 1 1 3 1156 1 1 19 TYR HH H -0.443 6.127 9.744 1.00 . A A . 19 TYR HH 1 1 3 1157 1 1 19 TYR N N -2.668 13.398 7.017 1.00 . A A . 19 TYR N 1 1 3 1158 1 1 19 TYR O O -2.255 14.009 9.612 1.00 . A A . 19 TYR O 1 1 3 1159 1 1 19 TYR OH O -0.412 6.213 8.789 1.00 . A A . 19 TYR OH 1 1 3 1160 1 1 20 LEU C C -0.064 13.319 11.649 1.00 . A A . 20 LEU C 1 1 3 1161 1 1 20 LEU CA C -1.228 12.335 11.568 1.00 . A A . 20 LEU CA 1 1 3 1162 1 1 20 LEU CB C -0.914 11.088 12.396 1.00 . A A . 20 LEU CB 1 1 3 1163 1 1 20 LEU CD1 C -3.284 10.413 11.937 1.00 . A A . 20 LEU CD1 1 1 3 1164 1 1 20 LEU CD2 C -1.400 8.981 11.127 1.00 . A A . 20 LEU CD2 1 1 3 1165 1 1 20 LEU CG C -1.878 9.913 12.231 1.00 . A A . 20 LEU CG 1 1 3 1166 1 1 20 LEU H H -1.318 11.051 9.889 1.00 . A A . 20 LEU H 1 1 3 1167 1 1 20 LEU HA H -2.112 12.809 11.967 1.00 . A A . 20 LEU HA 1 1 3 1168 1 1 20 LEU HB2 H 0.072 10.747 12.120 1.00 . A A . 20 LEU HB2 1 1 3 1169 1 1 20 LEU HB3 H -0.916 11.375 13.438 1.00 . A A . 20 LEU HB3 1 1 3 1170 1 1 20 LEU HD11 H -3.533 11.211 12.621 1.00 . A A . 20 LEU HD11 1 1 3 1171 1 1 20 LEU HD12 H -3.987 9.603 12.057 1.00 . A A . 20 LEU HD12 1 1 3 1172 1 1 20 LEU HD13 H -3.330 10.781 10.922 1.00 . A A . 20 LEU HD13 1 1 3 1173 1 1 20 LEU HD21 H -2.008 9.125 10.247 1.00 . A A . 20 LEU HD21 1 1 3 1174 1 1 20 LEU HD22 H -1.483 7.957 11.460 1.00 . A A . 20 LEU HD22 1 1 3 1175 1 1 20 LEU HD23 H -0.368 9.201 10.893 1.00 . A A . 20 LEU HD23 1 1 3 1176 1 1 20 LEU HG H -1.912 9.350 13.154 1.00 . A A . 20 LEU HG 1 1 3 1177 1 1 20 LEU N N -1.503 11.967 10.184 1.00 . A A . 20 LEU N 1 1 3 1178 1 1 20 LEU O O 0.565 13.637 10.640 1.00 . A A . 20 LEU O 1 1 3 1179 1 1 21 CYS C C 2.594 14.013 13.445 1.00 . A A . 21 CYS C 1 1 3 1180 1 1 21 CYS CA C 1.307 14.741 13.071 1.00 . A A . 21 CYS CA 1 1 3 1181 1 1 21 CYS CB C 0.934 15.739 14.169 1.00 . A A . 21 CYS CB 1 1 3 1182 1 1 21 CYS H H -0.320 13.504 13.624 1.00 . A A . 21 CYS H 1 1 3 1183 1 1 21 CYS HA H 1.466 15.278 12.148 1.00 . A A . 21 CYS HA 1 1 3 1184 1 1 21 CYS HB2 H -0.079 15.548 14.490 1.00 . A A . 21 CYS HB2 1 1 3 1185 1 1 21 CYS HB3 H 1.603 15.606 15.007 1.00 . A A . 21 CYS HB3 1 1 3 1186 1 1 21 CYS N N 0.218 13.795 12.857 1.00 . A A . 21 CYS N 1 1 3 1187 1 1 21 CYS O O 2.692 12.793 13.301 1.00 . A A . 21 CYS O 1 1 3 1188 1 1 21 CYS SG S 1.030 17.483 13.653 1.00 . A A . 21 CYS SG 1 1 3 1189 1 1 22 . C C 5.581 13.635 13.106 1.00 . A A . 22 DBB C 1 1 3 1190 1 1 22 . CA C 4.854 14.201 14.312 1.00 . A A . 22 DBB CA 1 1 3 1191 1 1 22 . CB C 5.738 15.265 14.996 1.00 . A A . 22 DBB CB 1 1 3 1192 1 1 22 . CG C 4.942 15.906 16.133 1.00 . A A . 22 DBB CG 1 1 3 1193 1 1 22 . H H 3.428 15.737 14.014 1.00 . A A . 22 DBB H 1 1 3 1194 1 1 22 . HA H 4.672 13.405 15.017 1.00 . A A . 22 DBB HA 1 1 3 1195 1 1 22 . HB3 H 5.941 16.031 14.257 1.00 . A A . 22 DBB HB3 1 1 3 1196 1 1 22 . HG1 H 4.915 15.232 16.975 1.00 . A A . 22 DBB HG1 1 1 3 1197 1 1 22 . HG2 H 3.937 16.111 15.799 1.00 . A A . 22 DBB HG2 1 1 3 1198 1 1 22 . HG3 H 5.424 16.828 16.425 1.00 . A A . 22 DBB HG3 1 1 3 1199 1 1 22 . N N 3.572 14.764 13.924 1.00 . A A . 22 DBB N 1 1 3 1200 1 1 22 . O O 6.276 12.624 13.209 1.00 . A A . 22 DBB O 1 1 3 1201 1 1 23 VAL C C 6.786 14.959 10.038 1.00 . A A . 23 VAL C 1 1 3 1202 1 1 23 VAL CA C 6.034 13.824 10.722 1.00 . A A . 23 VAL CA 1 1 3 1203 1 1 23 VAL CB C 4.994 13.248 9.742 1.00 . A A . 23 VAL CB 1 1 3 1204 1 1 23 VAL CG1 C 5.681 12.456 8.640 1.00 . A A . 23 VAL CG1 1 1 3 1205 1 1 23 VAL CG2 C 3.986 12.383 10.483 1.00 . A A . 23 VAL CG2 1 1 3 1206 1 1 23 VAL H H 4.840 15.079 11.938 1.00 . A A . 23 VAL H 1 1 3 1207 1 1 23 VAL HA H 6.734 13.040 10.973 1.00 . A A . 23 VAL HA 1 1 3 1208 1 1 23 VAL HB H 4.464 14.071 9.286 1.00 . A A . 23 VAL HB 1 1 3 1209 1 1 23 VAL HG11 H 6.739 12.395 8.847 1.00 . A A . 23 VAL HG11 1 1 3 1210 1 1 23 VAL HG12 H 5.263 11.460 8.599 1.00 . A A . 23 VAL HG12 1 1 3 1211 1 1 23 VAL HG13 H 5.527 12.950 7.692 1.00 . A A . 23 VAL HG13 1 1 3 1212 1 1 23 VAL HG21 H 4.478 11.874 11.299 1.00 . A A . 23 VAL HG21 1 1 3 1213 1 1 23 VAL HG22 H 3.195 13.007 10.872 1.00 . A A . 23 VAL HG22 1 1 3 1214 1 1 23 VAL HG23 H 3.568 11.654 9.804 1.00 . A A . 23 VAL HG23 1 1 3 1215 1 1 23 VAL N N 5.405 14.279 11.957 1.00 . A A . 23 VAL N 1 1 3 1216 1 1 23 VAL O O 6.368 16.116 10.096 1.00 . A A . 23 VAL O 1 1 3 1217 1 1 24 . C C 9.542 16.402 9.693 1.00 . A A . 24 DBB C 1 1 3 1218 1 1 24 . CA C 8.710 15.606 8.705 1.00 . A A . 24 DBB CA 1 1 3 1219 1 1 24 . CB C 9.638 14.927 7.677 1.00 . A A . 24 DBB CB 1 1 3 1220 1 1 24 . CG C 8.983 13.629 7.207 1.00 . A A . 24 DBB CG 1 1 3 1221 1 1 24 . H H 8.172 13.675 9.387 1.00 . A A . 24 DBB H 1 1 3 1222 1 1 24 . HA H 8.052 16.280 8.177 1.00 . A A . 24 DBB HA 1 1 3 1223 1 1 24 . HB3 H 10.553 14.670 8.198 1.00 . A A . 24 DBB HB3 1 1 3 1224 1 1 24 . HG1 H 9.252 12.829 7.877 1.00 . A A . 24 DBB HG1 1 1 3 1225 1 1 24 . HG2 H 9.319 13.396 6.209 1.00 . A A . 24 DBB HG2 1 1 3 1226 1 1 24 . HG3 H 7.909 13.755 7.209 1.00 . A A . 24 DBB HG3 1 1 3 1227 1 1 24 . N N 7.892 14.622 9.394 1.00 . A A . 24 DBB N 1 1 3 1228 1 1 24 . O O 9.450 16.195 10.904 1.00 . A A . 24 DBB O 1 1 3 1229 1 1 25 LYS C C 10.677 18.230 11.430 1.00 . A A . 25 LYS C 1 1 3 1230 1 1 25 LYS CA C 11.238 18.118 10.016 1.00 . A A . 25 LYS CA 1 1 3 1231 1 1 25 LYS CB C 11.406 19.513 9.410 1.00 . A A . 25 LYS CB 1 1 3 1232 1 1 25 LYS CD C 12.829 20.712 7.723 1.00 . A A . 25 LYS CD 1 1 3 1233 1 1 25 LYS CE C 13.926 21.762 7.814 1.00 . A A . 25 LYS CE 1 1 3 1234 1 1 25 LYS CG C 12.821 19.808 8.945 1.00 . A A . 25 LYS CG 1 1 3 1235 1 1 25 LYS H H 10.398 17.422 8.202 1.00 . A A . 25 LYS H 1 1 3 1236 1 1 25 LYS HA H 12.203 17.637 10.062 1.00 . A A . 25 LYS HA 1 1 3 1237 1 1 25 LYS HB2 H 10.743 19.606 8.562 1.00 . A A . 25 LYS HB2 1 1 3 1238 1 1 25 LYS HB3 H 11.132 20.250 10.152 1.00 . A A . 25 LYS HB3 1 1 3 1239 1 1 25 LYS HD2 H 12.995 20.110 6.842 1.00 . A A . 25 LYS HD2 1 1 3 1240 1 1 25 LYS HD3 H 11.872 21.208 7.647 1.00 . A A . 25 LYS HD3 1 1 3 1241 1 1 25 LYS HE2 H 14.805 21.310 8.246 1.00 . A A . 25 LYS HE2 1 1 3 1242 1 1 25 LYS HE3 H 14.154 22.112 6.818 1.00 . A A . 25 LYS HE3 1 1 3 1243 1 1 25 LYS HG2 H 13.359 20.297 9.744 1.00 . A A . 25 LYS HG2 1 1 3 1244 1 1 25 LYS HG3 H 13.310 18.877 8.696 1.00 . A A . 25 LYS HG3 1 1 3 1245 1 1 25 LYS HZ1 H 12.622 22.710 9.143 1.00 . A A . 25 LYS HZ1 1 1 3 1246 1 1 25 LYS HZ2 H 13.379 23.763 8.056 1.00 . A A . 25 LYS HZ2 1 1 3 1247 1 1 25 LYS HZ3 H 14.247 23.128 9.361 1.00 . A A . 25 LYS HZ3 1 1 3 1248 1 1 25 LYS N N 10.370 17.302 9.175 1.00 . A A . 25 LYS N 1 1 3 1249 1 1 25 LYS NZ N 13.514 22.922 8.652 1.00 . A A . 25 LYS NZ 1 1 3 1250 1 1 25 LYS O O 11.427 18.265 12.404 1.00 . A A . 25 LYS O 1 1 3 1251 1 1 26 GLU C C 9.219 17.339 13.798 1.00 . A A . 26 GLU C 1 1 3 1252 1 1 26 GLU CA C 8.692 18.393 12.829 1.00 . A A . 26 GLU CA 1 1 3 1253 1 1 26 GLU CB C 7.178 18.242 12.668 1.00 . A A . 26 GLU CB 1 1 3 1254 1 1 26 GLU CD C 5.131 18.987 11.388 1.00 . A A . 26 GLU CD 1 1 3 1255 1 1 26 GLU CG C 6.640 18.836 11.377 1.00 . A A . 26 GLU CG 1 1 3 1256 1 1 26 GLU H H 8.807 18.254 10.719 1.00 . A A . 26 GLU H 1 1 3 1257 1 1 26 GLU HA H 8.906 19.372 13.230 1.00 . A A . 26 GLU HA 1 1 3 1258 1 1 26 GLU HB2 H 6.929 17.191 12.688 1.00 . A A . 26 GLU HB2 1 1 3 1259 1 1 26 GLU HB3 H 6.689 18.734 13.496 1.00 . A A . 26 GLU HB3 1 1 3 1260 1 1 26 GLU HG2 H 7.083 19.810 11.233 1.00 . A A . 26 GLU HG2 1 1 3 1261 1 1 26 GLU HG3 H 6.917 18.191 10.556 1.00 . A A . 26 GLU HG3 1 1 3 1262 1 1 26 GLU N N 9.352 18.285 11.533 1.00 . A A . 26 GLU N 1 1 3 1263 1 1 26 GLU O O 9.572 17.647 14.937 1.00 . A A . 26 GLU O 1 1 3 1264 1 1 26 GLU OE1 O 4.448 18.087 11.919 1.00 . A A . 26 GLU OE1 1 1 3 1265 1 1 26 GLU OE2 O 4.634 20.007 10.865 1.00 . A A . 26 GLU OE2 1 1 3 1266 1 1 27 CYS C C 10.913 14.271 13.481 1.00 . A A . 27 CYS C 1 1 3 1267 1 1 27 CYS CA C 9.752 14.992 14.161 1.00 . A A . 27 CYS CA 1 1 3 1268 1 1 27 CYS CB C 8.619 14.004 14.444 1.00 . A A . 27 CYS CB 1 1 3 1269 1 1 27 CYS H H 8.974 15.910 12.420 1.00 . A A . 27 CYS H 1 1 3 1270 1 1 27 CYS HA H 10.100 15.404 15.096 1.00 . A A . 27 CYS HA 1 1 3 1271 1 1 27 CYS HB2 H 8.133 13.749 13.513 1.00 . A A . 27 CYS HB2 1 1 3 1272 1 1 27 CYS HB3 H 9.033 13.109 14.884 1.00 . A A . 27 CYS HB3 1 1 3 1273 1 1 27 CYS N N 9.270 16.093 13.337 1.00 . A A . 27 CYS N 1 1 3 1274 1 1 27 CYS O O 11.639 13.506 14.115 1.00 . A A . 27 CYS O 1 1 3 1275 1 1 27 CYS SG S 7.342 14.640 15.577 1.00 . A A . 27 CYS SG 1 1 3 1276 1 1 28 MET C C 12.961 14.947 10.664 1.00 . A A . 28 MET C 1 1 3 1277 1 1 28 MET CA C 12.153 13.898 11.420 1.00 . A A . 28 MET CA 1 1 3 1278 1 1 28 MET CB C 11.579 12.874 10.439 1.00 . A A . 28 MET CB 1 1 3 1279 1 1 28 MET CE C 12.820 9.101 9.217 1.00 . A A . 28 MET CE 1 1 3 1280 1 1 28 MET CG C 12.413 11.609 10.324 1.00 . A A . 28 MET CG 1 1 3 1281 1 1 28 MET H H 10.469 15.141 11.736 1.00 . A A . 28 MET H 1 1 3 1282 1 1 28 MET HA H 12.804 13.391 12.116 1.00 . A A . 28 MET HA 1 1 3 1283 1 1 28 MET HB2 H 10.587 12.597 10.765 1.00 . A A . 28 MET HB2 1 1 3 1284 1 1 28 MET HB3 H 11.514 13.327 9.461 1.00 . A A . 28 MET HB3 1 1 3 1285 1 1 28 MET HE1 H 13.010 8.557 8.302 1.00 . A A . 28 MET HE1 1 1 3 1286 1 1 28 MET HE2 H 13.753 9.276 9.732 1.00 . A A . 28 MET HE2 1 1 3 1287 1 1 28 MET HE3 H 12.162 8.524 9.850 1.00 . A A . 28 MET HE3 1 1 3 1288 1 1 28 MET HG2 H 13.458 11.881 10.315 1.00 . A A . 28 MET HG2 1 1 3 1289 1 1 28 MET HG3 H 12.214 10.984 11.182 1.00 . A A . 28 MET HG3 1 1 3 1290 1 1 28 MET N N 11.080 14.522 12.187 1.00 . A A . 28 MET N 1 1 3 1291 1 1 28 MET O O 12.467 15.603 9.746 1.00 . A A . 28 MET O 1 1 3 1292 1 1 28 MET SD S 12.049 10.670 8.828 1.00 . A A . 28 MET SD 1 1 3 1293 1 1 29 PRO C C 15.523 15.675 9.008 1.00 . A A . 29 PRO C 1 1 3 1294 1 1 29 PRO CA C 15.137 16.079 10.426 1.00 . A A . 29 PRO CA 1 1 3 1295 1 1 29 PRO CB C 16.365 16.064 11.340 1.00 . A A . 29 PRO CB 1 1 3 1296 1 1 29 PRO CD C 14.888 14.364 12.142 1.00 . A A . 29 PRO CD 1 1 3 1297 1 1 29 PRO CG C 16.340 14.721 11.985 1.00 . A A . 29 PRO CG 1 1 3 1298 1 1 29 PRO HA H 14.708 17.071 10.413 1.00 . A A . 29 PRO HA 1 1 3 1299 1 1 29 PRO HB2 H 17.259 16.202 10.748 1.00 . A A . 29 PRO HB2 1 1 3 1300 1 1 29 PRO HB3 H 16.284 16.854 12.071 1.00 . A A . 29 PRO HB3 1 1 3 1301 1 1 29 PRO HD2 H 14.746 13.300 12.019 1.00 . A A . 29 PRO HD2 1 1 3 1302 1 1 29 PRO HD3 H 14.522 14.686 13.106 1.00 . A A . 29 PRO HD3 1 1 3 1303 1 1 29 PRO HG2 H 16.837 14.001 11.353 1.00 . A A . 29 PRO HG2 1 1 3 1304 1 1 29 PRO HG3 H 16.821 14.769 12.951 1.00 . A A . 29 PRO HG3 1 1 3 1305 1 1 29 PRO N N 14.233 15.111 11.055 1.00 . A A . 29 PRO N 1 1 3 1306 1 1 29 PRO O O 16.054 16.482 8.245 1.00 . A A . 29 PRO O 1 1 3 1307 1 1 30 SER C C 14.541 14.369 6.308 1.00 . A A . 30 SER C 1 1 3 1308 1 1 30 SER CA C 15.573 13.910 7.333 1.00 . A A . 30 SER CA 1 1 3 1309 1 1 30 SER CB C 15.642 12.382 7.355 1.00 . A A . 30 SER CB 1 1 3 1310 1 1 30 SER H H 14.826 13.826 9.312 1.00 . A A . 30 SER H 1 1 3 1311 1 1 30 SER HA H 16.540 14.301 7.052 1.00 . A A . 30 SER HA 1 1 3 1312 1 1 30 SER HB2 H 16.163 12.060 8.245 1.00 . A A . 30 SER HB2 1 1 3 1313 1 1 30 SER HB3 H 14.640 11.979 7.360 1.00 . A A . 30 SER HB3 1 1 3 1314 1 1 30 SER HG H 16.868 11.133 6.475 1.00 . A A . 30 SER HG 1 1 3 1315 1 1 30 SER N N 15.251 14.422 8.660 1.00 . A A . 30 SER N 1 1 3 1316 1 1 30 SER O O 14.304 13.697 5.304 1.00 . A A . 30 SER O 1 1 3 1317 1 1 30 SER OG O 16.329 11.885 6.220 1.00 . A A . 30 SER OG 1 1 3 1318 1 1 31 CYS C C 13.545 17.056 4.691 1.00 . A A . 31 CYS C 1 1 3 1319 1 1 31 CYS CA C 12.919 16.069 5.672 1.00 . A A . 31 CYS CA 1 1 3 1320 1 1 31 CYS CB C 11.815 16.761 6.474 1.00 . A A . 31 CYS CB 1 1 3 1321 1 1 31 CYS H H 14.159 16.009 7.386 1.00 . A A . 31 CYS H 1 1 3 1322 1 1 31 CYS HA H 12.489 15.251 5.114 1.00 . A A . 31 CYS HA 1 1 3 1323 1 1 31 CYS HB2 H 12.061 16.713 7.525 1.00 . A A . 31 CYS HB2 1 1 3 1324 1 1 31 CYS HB3 H 11.754 17.795 6.170 1.00 . A A . 31 CYS HB3 1 1 3 1325 1 1 31 CYS N N 13.928 15.518 6.569 1.00 . A A . 31 CYS N 1 1 3 1326 1 1 31 CYS O O 14.335 17.916 5.079 1.00 . A A . 31 CYS O 1 1 3 1327 1 1 31 CYS SG S 10.165 16.020 6.259 1.00 . A A . 31 CYS SG 1 1 3 1328 1 1 32 ASN C C 12.631 18.153 1.362 1.00 . A A . 32 ASN C 1 1 3 1329 1 1 32 ASN CA C 13.712 17.806 2.381 1.00 . A A . 32 ASN CA 1 1 3 1330 1 1 32 ASN CB C 14.900 17.146 1.677 1.00 . A A . 32 ASN CB 1 1 3 1331 1 1 32 ASN CG C 14.514 15.854 0.981 1.00 . A A . 32 ASN CG 1 1 3 1332 1 1 32 ASN H H 12.553 16.220 3.169 1.00 . A A . 32 ASN H 1 1 3 1333 1 1 32 ASN HA H 14.048 18.715 2.857 1.00 . A A . 32 ASN HA 1 1 3 1334 1 1 32 ASN HB2 H 15.295 17.826 0.936 1.00 . A A . 32 ASN HB2 1 1 3 1335 1 1 32 ASN HB3 H 15.666 16.927 2.404 1.00 . A A . 32 ASN HB3 1 1 3 1336 1 1 32 ASN HD21 H 15.936 16.134 -0.380 1.00 . A A . 32 ASN HD21 1 1 3 1337 1 1 32 ASN HD22 H 14.990 14.701 -0.566 1.00 . A A . 32 ASN HD22 1 1 3 1338 1 1 32 ASN N N 13.186 16.926 3.418 1.00 . A A . 32 ASN N 1 1 3 1339 1 1 32 ASN ND2 N 15.218 15.530 -0.097 1.00 . A A . 32 ASN ND2 1 1 3 1340 1 1 32 ASN O O 11.766 18.988 1.621 1.00 . A A . 32 ASN O 1 1 3 1341 1 1 32 ASN OD1 O 13.595 15.156 1.410 1.00 . A A . 32 ASN OD1 1 1 4 1342 1 1 1 2KT C1 C 5.395 11.158 19.190 1.00 . A A . 1 2KT C1 1 1 4 1343 1 1 1 2KT C2 C 6.348 11.792 19.885 1.00 . A A . 1 2KT C2 1 1 4 1344 1 1 1 2KT C3 C 7.530 11.870 19.420 1.00 . A A . 1 2KT C3 1 1 4 1345 1 1 1 2KT C4 C 8.238 10.806 19.594 1.00 . A A . 1 2KT C4 1 1 4 1346 1 1 1 2KT H31 H 8.185 12.510 19.822 1.00 . A A . 1 2KT H31 1 1 4 1347 1 1 1 2KT H32 H 7.676 12.127 18.464 1.00 . A A . 1 2KT H32 1 1 4 1348 1 1 1 2KT H41 H 9.100 10.693 19.100 1.00 . A A . 1 2KT H41 1 1 4 1349 1 1 1 2KT H42 H 8.584 10.580 20.504 1.00 . A A . 1 2KT H42 1 1 4 1350 1 1 1 2KT H43 H 7.852 9.909 19.380 1.00 . A A . 1 2KT H43 1 1 4 1351 1 1 1 2KT O1 O 5.713 10.632 18.123 1.00 . A A . 1 2KT O1 1 1 4 1352 1 1 1 2KT O3 O 6.052 12.292 20.973 1.00 . A A . 1 2KT O3 1 1 4 1353 1 1 2 ILE C C 2.730 11.183 17.672 1.00 . A A . 2 ILE C 1 1 4 1354 1 1 2 ILE CA C 3.078 10.450 18.963 1.00 . A A . 2 ILE CA 1 1 4 1355 1 1 2 ILE CB C 1.813 10.340 19.834 1.00 . A A . 2 ILE CB 1 1 4 1356 1 1 2 ILE CD1 C 0.106 11.813 21.014 1.00 . A A . 2 ILE CD1 1 1 4 1357 1 1 2 ILE CG1 C 1.534 11.670 20.538 1.00 . A A . 2 ILE CG1 1 1 4 1358 1 1 2 ILE CG2 C 1.967 9.218 20.851 1.00 . A A . 2 ILE CG2 1 1 4 1359 1 1 2 ILE H H 3.967 11.561 20.529 1.00 . A A . 2 ILE H 1 1 4 1360 1 1 2 ILE HA H 3.412 9.451 18.719 1.00 . A A . 2 ILE HA 1 1 4 1361 1 1 2 ILE HB H 0.980 10.099 19.192 1.00 . A A . 2 ILE HB 1 1 4 1362 1 1 2 ILE HD11 H -0.026 11.254 21.929 1.00 . A A . 2 ILE HD11 1 1 4 1363 1 1 2 ILE HD12 H -0.110 12.856 21.196 1.00 . A A . 2 ILE HD12 1 1 4 1364 1 1 2 ILE HD13 H -0.566 11.432 20.259 1.00 . A A . 2 ILE HD13 1 1 4 1365 1 1 2 ILE HG12 H 2.180 11.758 21.397 1.00 . A A . 2 ILE HG12 1 1 4 1366 1 1 2 ILE HG13 H 1.740 12.480 19.853 1.00 . A A . 2 ILE HG13 1 1 4 1367 1 1 2 ILE HG21 H 1.651 9.568 21.823 1.00 . A A . 2 ILE HG21 1 1 4 1368 1 1 2 ILE HG22 H 1.355 8.379 20.556 1.00 . A A . 2 ILE HG22 1 1 4 1369 1 1 2 ILE HG23 H 3.001 8.913 20.897 1.00 . A A . 2 ILE HG23 1 1 4 1370 1 1 2 ILE N N 4.158 11.123 19.674 1.00 . A A . 2 ILE N 1 1 4 1371 1 1 2 ILE O O 3.342 12.199 17.341 1.00 . A A . 2 ILE O 1 1 4 1372 1 1 3 . C C 1.704 10.374 14.525 1.00 . A A . 3 DBB C 1 1 4 1373 1 1 3 . CA C 1.320 11.257 15.697 1.00 . A A . 3 DBB CA 1 1 4 1374 1 1 3 . CB C -0.205 11.489 15.691 1.00 . A A . 3 DBB CB 1 1 4 1375 1 1 3 . CG C -0.667 11.746 17.125 1.00 . A A . 3 DBB CG 1 1 4 1376 1 1 3 . H H 1.300 9.846 17.275 1.00 . A A . 3 DBB H 1 1 4 1377 1 1 3 . HA H 1.810 12.213 15.592 1.00 . A A . 3 DBB HA 1 1 4 1378 1 1 3 . HB3 H -0.664 10.567 15.352 1.00 . A A . 3 DBB HB3 1 1 4 1379 1 1 3 . HG1 H -0.443 10.885 17.734 1.00 . A A . 3 DBB HG1 1 1 4 1380 1 1 3 . HG2 H -1.730 11.931 17.134 1.00 . A A . 3 DBB HG2 1 1 4 1381 1 1 3 . HG3 H -0.145 12.609 17.515 1.00 . A A . 3 DBB HG3 1 1 4 1382 1 1 3 . N N 1.749 10.663 16.952 1.00 . A A . 3 DBB N 1 1 4 1383 1 1 3 . O O 1.073 10.423 13.468 1.00 . A A . 3 DBB O 1 1 4 1384 1 1 4 LEU C C 2.087 8.245 12.749 1.00 . A A . 4 LEU C 1 1 4 1385 1 1 4 LEU CA C 3.235 8.697 13.647 1.00 . A A . 4 LEU CA 1 1 4 1386 1 1 4 LEU CB C 3.935 7.479 14.251 1.00 . A A . 4 LEU CB 1 1 4 1387 1 1 4 LEU CD1 C 5.494 8.735 15.759 1.00 . A A . 4 LEU CD1 1 1 4 1388 1 1 4 LEU CD2 C 6.000 6.366 15.136 1.00 . A A . 4 LEU CD2 1 1 4 1389 1 1 4 LEU CG C 5.392 7.680 14.668 1.00 . A A . 4 LEU CG 1 1 4 1390 1 1 4 LEU H H 3.215 9.584 15.568 1.00 . A A . 4 LEU H 1 1 4 1391 1 1 4 LEU HA H 3.945 9.252 13.051 1.00 . A A . 4 LEU HA 1 1 4 1392 1 1 4 LEU HB2 H 3.380 7.178 15.126 1.00 . A A . 4 LEU HB2 1 1 4 1393 1 1 4 LEU HB3 H 3.906 6.685 13.518 1.00 . A A . 4 LEU HB3 1 1 4 1394 1 1 4 LEU HD11 H 6.524 8.834 16.069 1.00 . A A . 4 LEU HD11 1 1 4 1395 1 1 4 LEU HD12 H 4.890 8.439 16.603 1.00 . A A . 4 LEU HD12 1 1 4 1396 1 1 4 LEU HD13 H 5.140 9.682 15.378 1.00 . A A . 4 LEU HD13 1 1 4 1397 1 1 4 LEU HD21 H 6.911 6.564 15.681 1.00 . A A . 4 LEU HD21 1 1 4 1398 1 1 4 LEU HD22 H 6.220 5.747 14.279 1.00 . A A . 4 LEU HD22 1 1 4 1399 1 1 4 LEU HD23 H 5.299 5.854 15.779 1.00 . A A . 4 LEU HD23 1 1 4 1400 1 1 4 LEU HG H 5.960 8.027 13.815 1.00 . A A . 4 LEU HG 1 1 4 1401 1 1 4 LEU N N 2.753 9.579 14.704 1.00 . A A . 4 LEU N 1 1 4 1402 1 1 4 LEU O O 1.064 7.766 13.249 1.00 . A A . 4 LEU O 1 1 4 1403 1 1 5 DHA C C 0.727 8.986 9.683 1.00 . A A . 5 DHA C 1 1 4 1404 1 1 5 DHA CA C 1.306 8.025 10.540 1.00 . A A . 5 DHA CA 1 1 4 1405 1 1 5 DHA CB C 0.938 6.741 10.449 1.00 . A A . 5 DHA CB 1 1 4 1406 1 1 5 DHA H H 3.122 8.791 11.168 1.00 . A A . 5 DHA H 1 1 4 1407 1 1 5 DHA HB1 H 1.387 6.002 11.097 1.00 . A A . 5 DHA HB1 1 1 4 1408 1 1 5 DHA HB2 H 0.219 6.438 9.710 1.00 . A A . 5 DHA HB2 1 1 4 1409 1 1 5 DHA N N 2.269 8.400 11.440 1.00 . A A . 5 DHA N 1 1 4 1410 1 1 5 DHA O O 1.312 9.370 8.664 1.00 . A A . 5 DHA O 1 1 4 1411 1 1 6 DBU C C -1.162 11.874 9.950 1.00 . A A . 6 DBU C 1 1 4 1412 1 1 6 DBU CA C -1.027 10.479 9.364 1.00 . A A . 6 DBU CA 1 1 4 1413 1 1 6 DBU CB C -1.494 10.218 8.133 1.00 . A A . 6 DBU CB 1 1 4 1414 1 1 6 DBU CG C -1.344 8.833 7.576 1.00 . A A . 6 DBU CG 1 1 4 1415 1 1 6 DBU H1 H -0.806 9.123 10.920 1.00 . A A . 6 DBU H1 1 1 4 1416 1 1 6 DBU HB1 H -1.975 10.997 7.558 1.00 . A A . 6 DBU HB1 1 1 4 1417 1 1 6 DBU HG1 H -0.313 8.659 7.314 1.00 . A A . 6 DBU HG1 1 1 4 1418 1 1 6 DBU HG2 H -1.953 8.730 6.693 1.00 . A A . 6 DBU HG2 1 1 4 1419 1 1 6 DBU HG3 H -1.659 8.116 8.322 1.00 . A A . 6 DBU HG3 1 1 4 1420 1 1 6 DBU N N -0.425 9.501 10.097 1.00 . A A . 6 DBU N 1 1 4 1421 1 1 6 DBU O O -1.828 12.742 9.386 1.00 . A A . 6 DBU O 1 1 4 1422 1 1 7 CYS C C -0.121 14.486 10.914 1.00 . A A . 7 CYS C 1 1 4 1423 1 1 7 CYS CA C -0.622 13.354 11.805 1.00 . A A . 7 CYS CA 1 1 4 1424 1 1 7 CYS CB C 0.198 13.305 13.096 1.00 . A A . 7 CYS CB 1 1 4 1425 1 1 7 CYS H H -0.031 11.342 11.511 1.00 . A A . 7 CYS H 1 1 4 1426 1 1 7 CYS HA H -1.656 13.538 12.053 1.00 . A A . 7 CYS HA 1 1 4 1427 1 1 7 CYS HB2 H 1.007 12.599 12.974 1.00 . A A . 7 CYS HB2 1 1 4 1428 1 1 7 CYS HB3 H 0.609 14.285 13.289 1.00 . A A . 7 CYS HB3 1 1 4 1429 1 1 7 CYS N N -0.547 12.074 11.111 1.00 . A A . 7 CYS N 1 1 4 1430 1 1 7 CYS O O -0.909 15.183 10.275 1.00 . A A . 7 CYS O 1 1 4 1431 1 1 7 CYS SG S -0.756 12.803 14.564 1.00 . A A . 7 CYS SG 1 1 4 1432 1 1 8 ALA C C 1.635 15.413 8.574 1.00 . A A . 8 ALA C 1 1 4 1433 1 1 8 ALA CA C 1.803 15.709 10.061 1.00 . A A . 8 ALA CA 1 1 4 1434 1 1 8 ALA CB C 3.276 15.860 10.408 1.00 . A A . 8 ALA CB 1 1 4 1435 1 1 8 ALA H H 1.773 14.076 11.406 1.00 . A A . 8 ALA H 1 1 4 1436 1 1 8 ALA HA H 1.306 16.641 10.290 1.00 . A A . 8 ALA HA 1 1 4 1437 1 1 8 ALA HB1 H 3.448 16.841 10.826 1.00 . A A . 8 ALA HB1 1 1 4 1438 1 1 8 ALA HB2 H 3.555 15.106 11.129 1.00 . A A . 8 ALA HB2 1 1 4 1439 1 1 8 ALA HB3 H 3.870 15.741 9.514 1.00 . A A . 8 ALA HB3 1 1 4 1440 1 1 8 ALA N N 1.196 14.663 10.875 1.00 . A A . 8 ALA N 1 1 4 1441 1 1 8 ALA O O 2.049 16.203 7.724 1.00 . A A . 8 ALA O 1 1 4 1442 1 1 9 ILE C C -0.477 14.490 6.333 1.00 . A A . 9 ILE C 1 1 4 1443 1 1 9 ILE CA C 0.805 13.874 6.883 1.00 . A A . 9 ILE CA 1 1 4 1444 1 1 9 ILE CB C 0.726 12.342 6.743 1.00 . A A . 9 ILE CB 1 1 4 1445 1 1 9 ILE CD1 C 2.284 10.349 6.462 1.00 . A A . 9 ILE CD1 1 1 4 1446 1 1 9 ILE CG1 C 2.073 11.707 7.094 1.00 . A A . 9 ILE CG1 1 1 4 1447 1 1 9 ILE CG2 C 0.306 11.960 5.332 1.00 . A A . 9 ILE CG2 1 1 4 1448 1 1 9 ILE H H 0.720 13.685 8.989 1.00 . A A . 9 ILE H 1 1 4 1449 1 1 9 ILE HA H 1.641 14.227 6.297 1.00 . A A . 9 ILE HA 1 1 4 1450 1 1 9 ILE HB H -0.024 11.979 7.428 1.00 . A A . 9 ILE HB 1 1 4 1451 1 1 9 ILE HD11 H 2.599 10.476 5.436 1.00 . A A . 9 ILE HD11 1 1 4 1452 1 1 9 ILE HD12 H 3.046 9.812 7.007 1.00 . A A . 9 ILE HD12 1 1 4 1453 1 1 9 ILE HD13 H 1.360 9.792 6.487 1.00 . A A . 9 ILE HD13 1 1 4 1454 1 1 9 ILE HG12 H 2.868 12.355 6.760 1.00 . A A . 9 ILE HG12 1 1 4 1455 1 1 9 ILE HG13 H 2.138 11.588 8.166 1.00 . A A . 9 ILE HG13 1 1 4 1456 1 1 9 ILE HG21 H 0.158 10.891 5.278 1.00 . A A . 9 ILE HG21 1 1 4 1457 1 1 9 ILE HG22 H -0.617 12.463 5.084 1.00 . A A . 9 ILE HG22 1 1 4 1458 1 1 9 ILE HG23 H 1.076 12.253 4.635 1.00 . A A . 9 ILE HG23 1 1 4 1459 1 1 9 ILE N N 1.027 14.273 8.267 1.00 . A A . 9 ILE N 1 1 4 1460 1 1 9 ILE O O -0.567 14.807 5.146 1.00 . A A . 9 ILE O 1 1 4 1461 1 1 10 LEU C C -2.730 16.754 6.972 1.00 . A A . 10 LEU C 1 1 4 1462 1 1 10 LEU CA C -2.745 15.238 6.805 1.00 . A A . 10 LEU CA 1 1 4 1463 1 1 10 LEU CB C -3.881 14.633 7.632 1.00 . A A . 10 LEU CB 1 1 4 1464 1 1 10 LEU CD1 C -5.291 13.542 5.870 1.00 . A A . 10 LEU CD1 1 1 4 1465 1 1 10 LEU CD2 C -6.345 14.344 7.992 1.00 . A A . 10 LEU CD2 1 1 4 1466 1 1 10 LEU CG C -5.255 14.600 6.961 1.00 . A A . 10 LEU CG 1 1 4 1467 1 1 10 LEU H H -1.336 14.386 8.135 1.00 . A A . 10 LEU H 1 1 4 1468 1 1 10 LEU HA H -2.905 15.004 5.763 1.00 . A A . 10 LEU HA 1 1 4 1469 1 1 10 LEU HB2 H -3.608 13.618 7.876 1.00 . A A . 10 LEU HB2 1 1 4 1470 1 1 10 LEU HB3 H -3.970 15.210 8.542 1.00 . A A . 10 LEU HB3 1 1 4 1471 1 1 10 LEU HD11 H -5.638 12.608 6.286 1.00 . A A . 10 LEU HD11 1 1 4 1472 1 1 10 LEU HD12 H -4.299 13.408 5.465 1.00 . A A . 10 LEU HD12 1 1 4 1473 1 1 10 LEU HD13 H -5.961 13.858 5.084 1.00 . A A . 10 LEU HD13 1 1 4 1474 1 1 10 LEU HD21 H -7.154 15.044 7.842 1.00 . A A . 10 LEU HD21 1 1 4 1475 1 1 10 LEU HD22 H -5.939 14.470 8.984 1.00 . A A . 10 LEU HD22 1 1 4 1476 1 1 10 LEU HD23 H -6.716 13.335 7.880 1.00 . A A . 10 LEU HD23 1 1 4 1477 1 1 10 LEU HG H -5.447 15.560 6.501 1.00 . A A . 10 LEU HG 1 1 4 1478 1 1 10 LEU N N -1.467 14.658 7.203 1.00 . A A . 10 LEU N 1 1 4 1479 1 1 10 LEU O O -3.715 17.355 7.405 1.00 . A A . 10 LEU O 1 1 4 1480 1 1 11 DAL C C -1.593 19.265 8.194 1.00 . A A . 11 DAL C 1 1 4 1481 1 1 11 DAL CA C -1.469 18.811 6.740 1.00 . A A . 11 DAL CA 1 1 4 1482 1 1 11 DAL CB C -0.120 19.247 6.177 1.00 . A A . 11 DAL CB 1 1 4 1483 1 1 11 DAL H H -0.855 16.842 6.285 1.00 . A A . 11 DAL H 1 1 4 1484 1 1 11 DAL HA H -2.255 19.269 6.160 1.00 . A A . 11 DAL HA 1 1 4 1485 1 1 11 DAL HB2 H -0.135 20.315 6.024 1.00 . A A . 11 DAL HB2 1 1 4 1486 1 1 11 DAL HB3 H 0.040 18.755 5.223 1.00 . A A . 11 DAL HB3 1 1 4 1487 1 1 11 DAL N N -1.612 17.369 6.625 1.00 . A A . 11 DAL N 1 1 4 1488 1 1 11 DAL O O -1.258 18.527 9.121 1.00 . A A . 11 DAL O 1 1 4 1489 1 1 12 LYS C C -3.677 21.513 9.938 1.00 . A A . 12 LYS C 1 1 4 1490 1 1 12 LYS CA C -2.241 21.048 9.718 1.00 . A A . 12 LYS CA 1 1 4 1491 1 1 12 LYS CB C -1.278 22.219 9.927 1.00 . A A . 12 LYS CB 1 1 4 1492 1 1 12 LYS CD C -0.471 24.450 9.102 1.00 . A A . 12 LYS CD 1 1 4 1493 1 1 12 LYS CE C 0.153 25.092 7.873 1.00 . A A . 12 LYS CE 1 1 4 1494 1 1 12 LYS CG C -1.214 23.173 8.747 1.00 . A A . 12 LYS CG 1 1 4 1495 1 1 12 LYS H H -2.323 21.029 7.603 1.00 . A A . 12 LYS H 1 1 4 1496 1 1 12 LYS HA H -2.013 20.273 10.434 1.00 . A A . 12 LYS HA 1 1 4 1497 1 1 12 LYS HB2 H -1.591 22.776 10.798 1.00 . A A . 12 LYS HB2 1 1 4 1498 1 1 12 LYS HB3 H -0.286 21.827 10.100 1.00 . A A . 12 LYS HB3 1 1 4 1499 1 1 12 LYS HD2 H -1.165 25.149 9.545 1.00 . A A . 12 LYS HD2 1 1 4 1500 1 1 12 LYS HD3 H 0.310 24.217 9.812 1.00 . A A . 12 LYS HD3 1 1 4 1501 1 1 12 LYS HE2 H -0.579 25.109 7.080 1.00 . A A . 12 LYS HE2 1 1 4 1502 1 1 12 LYS HE3 H 0.442 26.103 8.118 1.00 . A A . 12 LYS HE3 1 1 4 1503 1 1 12 LYS HG2 H -0.703 22.687 7.930 1.00 . A A . 12 LYS HG2 1 1 4 1504 1 1 12 LYS HG3 H -2.221 23.425 8.446 1.00 . A A . 12 LYS HG3 1 1 4 1505 1 1 12 LYS HZ1 H 2.150 24.998 7.267 1.00 . A A . 12 LYS HZ1 1 1 4 1506 1 1 12 LYS HZ2 H 1.150 23.866 6.506 1.00 . A A . 12 LYS HZ2 1 1 4 1507 1 1 12 LYS HZ3 H 1.626 23.629 8.111 1.00 . A A . 12 LYS HZ3 1 1 4 1508 1 1 12 LYS N N -2.074 20.489 8.382 1.00 . A A . 12 LYS N 1 1 4 1509 1 1 12 LYS NZ N 1.354 24.344 7.407 1.00 . A A . 12 LYS NZ 1 1 4 1510 1 1 12 LYS O O -3.931 22.600 10.457 1.00 . A A . 12 LYS O 1 1 4 1511 1 1 13 PRO C C -6.520 20.951 11.135 1.00 . A A . 13 PRO C 1 1 4 1512 1 1 13 PRO CA C -6.068 20.973 9.679 1.00 . A A . 13 PRO CA 1 1 4 1513 1 1 13 PRO CB C -6.749 19.853 8.890 1.00 . A A . 13 PRO CB 1 1 4 1514 1 1 13 PRO CD C -4.411 19.358 8.908 1.00 . A A . 13 PRO CD 1 1 4 1515 1 1 13 PRO CG C -5.775 18.726 8.913 1.00 . A A . 13 PRO CG 1 1 4 1516 1 1 13 PRO HA H -6.317 21.928 9.241 1.00 . A A . 13 PRO HA 1 1 4 1517 1 1 13 PRO HB2 H -7.678 19.583 9.372 1.00 . A A . 13 PRO HB2 1 1 4 1518 1 1 13 PRO HB3 H -6.944 20.185 7.882 1.00 . A A . 13 PRO HB3 1 1 4 1519 1 1 13 PRO HD2 H -3.719 18.768 9.491 1.00 . A A . 13 PRO HD2 1 1 4 1520 1 1 13 PRO HD3 H -4.052 19.473 7.896 1.00 . A A . 13 PRO HD3 1 1 4 1521 1 1 13 PRO HG2 H -5.913 18.139 9.808 1.00 . A A . 13 PRO HG2 1 1 4 1522 1 1 13 PRO HG3 H -5.906 18.110 8.035 1.00 . A A . 13 PRO HG3 1 1 4 1523 1 1 13 PRO N N -4.640 20.671 9.535 1.00 . A A . 13 PRO N 1 1 4 1524 1 1 13 PRO O O -5.699 20.995 12.052 1.00 . A A . 13 PRO O 1 1 4 1525 1 1 14 LEU C C -9.407 19.721 12.829 1.00 . A A . 14 LEU C 1 1 4 1526 1 1 14 LEU CA C -8.393 20.852 12.687 1.00 . A A . 14 LEU CA 1 1 4 1527 1 1 14 LEU CB C -9.057 22.191 13.013 1.00 . A A . 14 LEU CB 1 1 4 1528 1 1 14 LEU CD1 C -11.072 23.678 12.899 1.00 . A A . 14 LEU CD1 1 1 4 1529 1 1 14 LEU CD2 C -10.071 22.770 10.794 1.00 . A A . 14 LEU CD2 1 1 4 1530 1 1 14 LEU CG C -10.355 22.497 12.264 1.00 . A A . 14 LEU CG 1 1 4 1531 1 1 14 LEU H H -8.435 20.849 10.571 1.00 . A A . 14 LEU H 1 1 4 1532 1 1 14 LEU HA H -7.583 20.683 13.381 1.00 . A A . 14 LEU HA 1 1 4 1533 1 1 14 LEU HB2 H -9.274 22.204 14.070 1.00 . A A . 14 LEU HB2 1 1 4 1534 1 1 14 LEU HB3 H -8.349 22.975 12.783 1.00 . A A . 14 LEU HB3 1 1 4 1535 1 1 14 LEU HD11 H -10.595 23.928 13.835 1.00 . A A . 14 LEU HD11 1 1 4 1536 1 1 14 LEU HD12 H -12.104 23.418 13.080 1.00 . A A . 14 LEU HD12 1 1 4 1537 1 1 14 LEU HD13 H -11.027 24.527 12.233 1.00 . A A . 14 LEU HD13 1 1 4 1538 1 1 14 LEU HD21 H -10.718 23.560 10.444 1.00 . A A . 14 LEU HD21 1 1 4 1539 1 1 14 LEU HD22 H -10.253 21.874 10.220 1.00 . A A . 14 LEU HD22 1 1 4 1540 1 1 14 LEU HD23 H -9.039 23.070 10.677 1.00 . A A . 14 LEU HD23 1 1 4 1541 1 1 14 LEU HG H -11.009 21.638 12.325 1.00 . A A . 14 LEU HG 1 1 4 1542 1 1 14 LEU N N -7.831 20.881 11.341 1.00 . A A . 14 LEU N 1 1 4 1543 1 1 14 LEU O O -9.699 19.011 11.868 1.00 . A A . 14 LEU O 1 1 4 1544 1 1 15 GLY C C -10.341 17.352 15.058 1.00 . A A . 15 GLY C 1 1 4 1545 1 1 15 GLY CA C -10.920 18.517 14.281 1.00 . A A . 15 GLY CA 1 1 4 1546 1 1 15 GLY H H -9.673 20.158 14.765 1.00 . A A . 15 GLY H 1 1 4 1547 1 1 15 GLY HA2 H -11.745 18.935 14.839 1.00 . A A . 15 GLY HA2 1 1 4 1548 1 1 15 GLY HA3 H -11.288 18.154 13.332 1.00 . A A . 15 GLY HA3 1 1 4 1549 1 1 15 GLY N N -9.943 19.562 14.036 1.00 . A A . 15 GLY N 1 1 4 1550 1 1 15 GLY O O -9.687 17.544 16.082 1.00 . A A . 15 GLY O 1 1 4 1551 1 1 16 ASN C C -8.573 15.022 15.439 1.00 . A A . 16 ASN C 1 1 4 1552 1 1 16 ASN CA C -10.081 14.938 15.229 1.00 . A A . 16 ASN CA 1 1 4 1553 1 1 16 ASN CB C -10.424 13.697 14.401 1.00 . A A . 16 ASN CB 1 1 4 1554 1 1 16 ASN CG C -9.464 13.491 13.245 1.00 . A A . 16 ASN CG 1 1 4 1555 1 1 16 ASN H H -11.111 16.050 13.751 1.00 . A A . 16 ASN H 1 1 4 1556 1 1 16 ASN HA H -10.564 14.861 16.192 1.00 . A A . 16 ASN HA 1 1 4 1557 1 1 16 ASN HB2 H -10.384 12.825 15.037 1.00 . A A . 16 ASN HB2 1 1 4 1558 1 1 16 ASN HB3 H -11.422 13.802 14.002 1.00 . A A . 16 ASN HB3 1 1 4 1559 1 1 16 ASN HD21 H -9.950 11.564 13.154 1.00 . A A . 16 ASN HD21 1 1 4 1560 1 1 16 ASN HD22 H -8.776 12.098 12.004 1.00 . A A . 16 ASN HD22 1 1 4 1561 1 1 16 ASN N N -10.582 16.139 14.571 1.00 . A A . 16 ASN N 1 1 4 1562 1 1 16 ASN ND2 N -9.389 12.260 12.751 1.00 . A A . 16 ASN ND2 1 1 4 1563 1 1 16 ASN O O -7.959 16.060 15.198 1.00 . A A . 16 ASN O 1 1 4 1564 1 1 16 ASN OD1 O -8.798 14.426 12.802 1.00 . A A . 16 ASN OD1 1 1 4 1565 1 1 17 ASN C C -5.768 14.336 14.906 1.00 . A A . 17 ASN C 1 1 4 1566 1 1 17 ASN CA C -6.544 13.869 16.133 1.00 . A A . 17 ASN CA 1 1 4 1567 1 1 17 ASN CB C -6.120 12.448 16.509 1.00 . A A . 17 ASN CB 1 1 4 1568 1 1 17 ASN CG C -6.514 11.430 15.457 1.00 . A A . 17 ASN CG 1 1 4 1569 1 1 17 ASN H H -8.524 13.123 16.065 1.00 . A A . 17 ASN H 1 1 4 1570 1 1 17 ASN HA H -6.324 14.531 16.958 1.00 . A A . 17 ASN HA 1 1 4 1571 1 1 17 ASN HB2 H -5.046 12.418 16.625 1.00 . A A . 17 ASN HB2 1 1 4 1572 1 1 17 ASN HB3 H -6.586 12.174 17.443 1.00 . A A . 17 ASN HB3 1 1 4 1573 1 1 17 ASN HD21 H -7.606 12.796 14.509 1.00 . A A . 17 ASN HD21 1 1 4 1574 1 1 17 ASN HD22 H -7.589 11.221 13.797 1.00 . A A . 17 ASN HD22 1 1 4 1575 1 1 17 ASN N N -7.981 13.920 15.890 1.00 . A A . 17 ASN N 1 1 4 1576 1 1 17 ASN ND2 N -7.317 11.859 14.490 1.00 . A A . 17 ASN ND2 1 1 4 1577 1 1 17 ASN O O -6.320 14.437 13.811 1.00 . A A . 17 ASN O 1 1 4 1578 1 1 17 ASN OD1 O -6.102 10.271 15.513 1.00 . A A . 17 ASN OD1 1 1 4 1579 1 1 18 GLY C C -2.968 16.393 14.292 1.00 . A A . 18 GLY C 1 1 4 1580 1 1 18 GLY CA C -3.651 15.072 13.997 1.00 . A A . 18 GLY CA 1 1 4 1581 1 1 18 GLY H H -4.096 14.520 15.992 1.00 . A A . 18 GLY H 1 1 4 1582 1 1 18 GLY HA2 H -2.897 14.325 13.799 1.00 . A A . 18 GLY HA2 1 1 4 1583 1 1 18 GLY HA3 H -4.268 15.188 13.118 1.00 . A A . 18 GLY HA3 1 1 4 1584 1 1 18 GLY N N -4.483 14.619 15.097 1.00 . A A . 18 GLY N 1 1 4 1585 1 1 18 GLY O O -3.491 17.457 13.961 1.00 . A A . 18 GLY O 1 1 4 1586 1 1 19 TYR C C -0.764 18.366 14.018 1.00 . A A . 19 TYR C 1 1 4 1587 1 1 19 TYR CA C -1.044 17.525 15.259 1.00 . A A . 19 TYR CA 1 1 4 1588 1 1 19 TYR CB C 0.272 17.148 15.941 1.00 . A A . 19 TYR CB 1 1 4 1589 1 1 19 TYR CD1 C 0.146 19.407 17.065 1.00 . A A . 19 TYR CD1 1 1 4 1590 1 1 19 TYR CD2 C 1.705 17.815 17.911 1.00 . A A . 19 TYR CD2 1 1 4 1591 1 1 19 TYR CE1 C 0.549 20.318 18.022 1.00 . A A . 19 TYR CE1 1 1 4 1592 1 1 19 TYR CE2 C 2.114 18.719 18.872 1.00 . A A . 19 TYR CE2 1 1 4 1593 1 1 19 TYR CG C 0.716 18.142 16.991 1.00 . A A . 19 TYR CG 1 1 4 1594 1 1 19 TYR CZ C 1.533 19.969 18.923 1.00 . A A . 19 TYR CZ 1 1 4 1595 1 1 19 TYR H H -1.432 15.447 15.154 1.00 . A A . 19 TYR H 1 1 4 1596 1 1 19 TYR HA H -1.641 18.106 15.947 1.00 . A A . 19 TYR HA 1 1 4 1597 1 1 19 TYR HB2 H 0.160 16.188 16.421 1.00 . A A . 19 TYR HB2 1 1 4 1598 1 1 19 TYR HB3 H 1.051 17.084 15.195 1.00 . A A . 19 TYR HB3 1 1 4 1599 1 1 19 TYR HD1 H -0.625 19.676 16.357 1.00 . A A . 19 TYR HD1 1 1 4 1600 1 1 19 TYR HD2 H 2.158 16.835 17.868 1.00 . A A . 19 TYR HD2 1 1 4 1601 1 1 19 TYR HE1 H 0.094 21.296 18.062 1.00 . A A . 19 TYR HE1 1 1 4 1602 1 1 19 TYR HE2 H 2.884 18.447 19.579 1.00 . A A . 19 TYR HE2 1 1 4 1603 1 1 19 TYR HH H 2.171 20.405 20.684 1.00 . A A . 19 TYR HH 1 1 4 1604 1 1 19 TYR N N -1.798 16.325 14.916 1.00 . A A . 19 TYR N 1 1 4 1605 1 1 19 TYR O O -1.404 18.194 12.979 1.00 . A A . 19 TYR O 1 1 4 1606 1 1 19 TYR OH O 1.936 20.873 19.879 1.00 . A A . 19 TYR OH 1 1 4 1607 1 1 20 LEU C C 1.318 19.367 11.946 1.00 . A A . 20 LEU C 1 1 4 1608 1 1 20 LEU CA C 0.564 20.145 13.020 1.00 . A A . 20 LEU CA 1 1 4 1609 1 1 20 LEU CB C 1.421 21.310 13.518 1.00 . A A . 20 LEU CB 1 1 4 1610 1 1 20 LEU CD1 C 0.135 22.315 15.420 1.00 . A A . 20 LEU CD1 1 1 4 1611 1 1 20 LEU CD2 C 1.551 23.774 13.963 1.00 . A A . 20 LEU CD2 1 1 4 1612 1 1 20 LEU CG C 0.660 22.541 14.011 1.00 . A A . 20 LEU CG 1 1 4 1613 1 1 20 LEU H H 0.671 19.367 14.985 1.00 . A A . 20 LEU H 1 1 4 1614 1 1 20 LEU HA H -0.346 20.537 12.590 1.00 . A A . 20 LEU HA 1 1 4 1615 1 1 20 LEU HB2 H 2.028 20.949 14.334 1.00 . A A . 20 LEU HB2 1 1 4 1616 1 1 20 LEU HB3 H 2.062 21.620 12.704 1.00 . A A . 20 LEU HB3 1 1 4 1617 1 1 20 LEU HD11 H -0.318 23.225 15.785 1.00 . A A . 20 LEU HD11 1 1 4 1618 1 1 20 LEU HD12 H 0.952 22.035 16.068 1.00 . A A . 20 LEU HD12 1 1 4 1619 1 1 20 LEU HD13 H -0.602 21.525 15.407 1.00 . A A . 20 LEU HD13 1 1 4 1620 1 1 20 LEU HD21 H 1.055 24.596 14.458 1.00 . A A . 20 LEU HD21 1 1 4 1621 1 1 20 LEU HD22 H 1.744 24.038 12.933 1.00 . A A . 20 LEU HD22 1 1 4 1622 1 1 20 LEU HD23 H 2.485 23.562 14.462 1.00 . A A . 20 LEU HD23 1 1 4 1623 1 1 20 LEU HG H -0.189 22.715 13.363 1.00 . A A . 20 LEU HG 1 1 4 1624 1 1 20 LEU N N 0.197 19.276 14.132 1.00 . A A . 20 LEU N 1 1 4 1625 1 1 20 LEU O O 1.576 18.172 12.097 1.00 . A A . 20 LEU O 1 1 4 1626 1 1 21 CYS C C 3.904 19.574 9.955 1.00 . A A . 21 CYS C 1 1 4 1627 1 1 21 CYS CA C 2.397 19.426 9.765 1.00 . A A . 21 CYS CA 1 1 4 1628 1 1 21 CYS CB C 1.977 20.044 8.431 1.00 . A A . 21 CYS CB 1 1 4 1629 1 1 21 CYS H H 1.436 21.002 10.801 1.00 . A A . 21 CYS H 1 1 4 1630 1 1 21 CYS HA H 2.149 18.375 9.759 1.00 . A A . 21 CYS HA 1 1 4 1631 1 1 21 CYS HB2 H 1.226 20.799 8.613 1.00 . A A . 21 CYS HB2 1 1 4 1632 1 1 21 CYS HB3 H 2.838 20.505 7.969 1.00 . A A . 21 CYS HB3 1 1 4 1633 1 1 21 CYS N N 1.671 20.052 10.864 1.00 . A A . 21 CYS N 1 1 4 1634 1 1 21 CYS O O 4.368 19.956 11.031 1.00 . A A . 21 CYS O 1 1 4 1635 1 1 21 CYS SG S 1.282 18.850 7.244 1.00 . A A . 21 CYS SG 1 1 4 1636 1 1 22 . C C 6.652 18.635 10.173 1.00 . A A . 22 DBB C 1 1 4 1637 1 1 22 . CA C 6.106 19.360 8.957 1.00 . A A . 22 DBB CA 1 1 4 1638 1 1 22 . CB C 6.735 18.769 7.678 1.00 . A A . 22 DBB CB 1 1 4 1639 1 1 22 . CG C 6.020 19.359 6.462 1.00 . A A . 22 DBB CG 1 1 4 1640 1 1 22 . H H 4.220 18.971 8.077 1.00 . A A . 22 DBB H 1 1 4 1641 1 1 22 . HA H 6.378 20.403 9.019 1.00 . A A . 22 DBB HA 1 1 4 1642 1 1 22 . HB3 H 6.542 17.703 7.694 1.00 . A A . 22 DBB HB3 1 1 4 1643 1 1 22 . HG1 H 5.304 18.645 6.088 1.00 . A A . 22 DBB HG1 1 1 4 1644 1 1 22 . HG2 H 6.742 19.587 5.694 1.00 . A A . 22 DBB HG2 1 1 4 1645 1 1 22 . HG3 H 5.506 20.263 6.759 1.00 . A A . 22 DBB HG3 1 1 4 1646 1 1 22 . N N 4.656 19.271 8.911 1.00 . A A . 22 DBB N 1 1 4 1647 1 1 22 . O O 7.591 19.105 10.815 1.00 . A A . 22 DBB O 1 1 4 1648 1 1 23 VAL C C 6.694 15.256 11.285 1.00 . A A . 23 VAL C 1 1 4 1649 1 1 23 VAL CA C 6.466 16.717 11.659 1.00 . A A . 23 VAL CA 1 1 4 1650 1 1 23 VAL CB C 5.423 16.789 12.790 1.00 . A A . 23 VAL CB 1 1 4 1651 1 1 23 VAL CG1 C 6.020 16.296 14.100 1.00 . A A . 23 VAL CG1 1 1 4 1652 1 1 23 VAL CG2 C 4.893 18.207 12.936 1.00 . A A . 23 VAL CG2 1 1 4 1653 1 1 23 VAL H H 5.305 17.174 9.950 1.00 . A A . 23 VAL H 1 1 4 1654 1 1 23 VAL HA H 7.393 17.133 12.026 1.00 . A A . 23 VAL HA 1 1 4 1655 1 1 23 VAL HB H 4.597 16.143 12.532 1.00 . A A . 23 VAL HB 1 1 4 1656 1 1 23 VAL HG11 H 6.420 15.302 13.961 1.00 . A A . 23 VAL HG11 1 1 4 1657 1 1 23 VAL HG12 H 6.811 16.964 14.409 1.00 . A A . 23 VAL HG12 1 1 4 1658 1 1 23 VAL HG13 H 5.252 16.272 14.858 1.00 . A A . 23 VAL HG13 1 1 4 1659 1 1 23 VAL HG21 H 4.745 18.431 13.982 1.00 . A A . 23 VAL HG21 1 1 4 1660 1 1 23 VAL HG22 H 5.605 18.901 12.516 1.00 . A A . 23 VAL HG22 1 1 4 1661 1 1 23 VAL HG23 H 3.952 18.296 12.412 1.00 . A A . 23 VAL HG23 1 1 4 1662 1 1 23 VAL N N 6.049 17.497 10.501 1.00 . A A . 23 VAL N 1 1 4 1663 1 1 23 VAL O O 5.990 14.707 10.436 1.00 . A A . 23 VAL O 1 1 4 1664 1 1 24 . C C 8.775 13.116 10.353 1.00 . A A . 24 DBB C 1 1 4 1665 1 1 24 . CA C 8.005 13.247 11.654 1.00 . A A . 24 DBB CA 1 1 4 1666 1 1 24 . CB C 8.836 12.649 12.809 1.00 . A A . 24 DBB CB 1 1 4 1667 1 1 24 . CG C 8.479 13.382 14.101 1.00 . A A . 24 DBB CG 1 1 4 1668 1 1 24 . H H 8.202 15.136 12.590 1.00 . A A . 24 DBB H 1 1 4 1669 1 1 24 . HA H 7.084 12.691 11.574 1.00 . A A . 24 DBB HA 1 1 4 1670 1 1 24 . HB3 H 9.877 12.850 12.587 1.00 . A A . 24 DBB HB3 1 1 4 1671 1 1 24 . HG1 H 7.418 13.574 14.122 1.00 . A A . 24 DBB HG1 1 1 4 1672 1 1 24 . HG2 H 9.018 14.315 14.147 1.00 . A A . 24 DBB HG2 1 1 4 1673 1 1 24 . HG3 H 8.749 12.764 14.945 1.00 . A A . 24 DBB HG3 1 1 4 1674 1 1 24 . N N 7.675 14.638 11.920 1.00 . A A . 24 DBB N 1 1 4 1675 1 1 24 . O O 9.013 14.104 9.660 1.00 . A A . 24 DBB O 1 1 4 1676 1 1 25 LYS C C 9.713 12.732 7.784 1.00 . A A . 25 LYS C 1 1 4 1677 1 1 25 LYS CA C 9.948 11.635 8.817 1.00 . A A . 25 LYS CA 1 1 4 1678 1 1 25 LYS CB C 9.567 10.275 8.228 1.00 . A A . 25 LYS CB 1 1 4 1679 1 1 25 LYS CD C 11.884 9.759 7.407 1.00 . A A . 25 LYS CD 1 1 4 1680 1 1 25 LYS CE C 11.486 10.008 5.961 1.00 . A A . 25 LYS CE 1 1 4 1681 1 1 25 LYS CG C 10.706 9.270 8.233 1.00 . A A . 25 LYS CG 1 1 4 1682 1 1 25 LYS H H 8.962 11.144 10.625 1.00 . A A . 25 LYS H 1 1 4 1683 1 1 25 LYS HA H 10.994 11.624 9.081 1.00 . A A . 25 LYS HA 1 1 4 1684 1 1 25 LYS HB2 H 8.749 9.864 8.802 1.00 . A A . 25 LYS HB2 1 1 4 1685 1 1 25 LYS HB3 H 9.244 10.416 7.207 1.00 . A A . 25 LYS HB3 1 1 4 1686 1 1 25 LYS HD2 H 12.252 10.681 7.832 1.00 . A A . 25 LYS HD2 1 1 4 1687 1 1 25 LYS HD3 H 12.665 9.012 7.433 1.00 . A A . 25 LYS HD3 1 1 4 1688 1 1 25 LYS HE2 H 10.855 10.883 5.920 1.00 . A A . 25 LYS HE2 1 1 4 1689 1 1 25 LYS HE3 H 12.380 10.182 5.380 1.00 . A A . 25 LYS HE3 1 1 4 1690 1 1 25 LYS HG2 H 11.033 9.115 9.250 1.00 . A A . 25 LYS HG2 1 1 4 1691 1 1 25 LYS HG3 H 10.351 8.336 7.820 1.00 . A A . 25 LYS HG3 1 1 4 1692 1 1 25 LYS HZ1 H 10.876 8.828 4.349 1.00 . A A . 25 LYS HZ1 1 1 4 1693 1 1 25 LYS HZ2 H 9.734 8.932 5.593 1.00 . A A . 25 LYS HZ2 1 1 4 1694 1 1 25 LYS HZ3 H 11.106 7.962 5.784 1.00 . A A . 25 LYS HZ3 1 1 4 1695 1 1 25 LYS N N 9.182 11.892 10.031 1.00 . A A . 25 LYS N 1 1 4 1696 1 1 25 LYS NZ N 10.749 8.852 5.381 1.00 . A A . 25 LYS NZ 1 1 4 1697 1 1 25 LYS O O 10.626 13.112 7.051 1.00 . A A . 25 LYS O 1 1 4 1698 1 1 26 GLU C C 9.145 15.432 6.842 1.00 . A A . 26 GLU C 1 1 4 1699 1 1 26 GLU CA C 8.132 14.291 6.788 1.00 . A A . 26 GLU CA 1 1 4 1700 1 1 26 GLU CB C 6.729 14.826 7.086 1.00 . A A . 26 GLU CB 1 1 4 1701 1 1 26 GLU CD C 4.321 14.222 7.553 1.00 . A A . 26 GLU CD 1 1 4 1702 1 1 26 GLU CG C 5.766 13.762 7.584 1.00 . A A . 26 GLU CG 1 1 4 1703 1 1 26 GLU H H 7.799 12.893 8.342 1.00 . A A . 26 GLU H 1 1 4 1704 1 1 26 GLU HA H 8.141 13.865 5.796 1.00 . A A . 26 GLU HA 1 1 4 1705 1 1 26 GLU HB2 H 6.804 15.596 7.840 1.00 . A A . 26 GLU HB2 1 1 4 1706 1 1 26 GLU HB3 H 6.322 15.256 6.183 1.00 . A A . 26 GLU HB3 1 1 4 1707 1 1 26 GLU HG2 H 5.862 12.887 6.959 1.00 . A A . 26 GLU HG2 1 1 4 1708 1 1 26 GLU HG3 H 6.025 13.506 8.601 1.00 . A A . 26 GLU HG3 1 1 4 1709 1 1 26 GLU N N 8.484 13.237 7.732 1.00 . A A . 26 GLU N 1 1 4 1710 1 1 26 GLU O O 9.643 15.884 5.811 1.00 . A A . 26 GLU O 1 1 4 1711 1 1 26 GLU OE1 O 3.993 15.091 6.719 1.00 . A A . 26 GLU OE1 1 1 4 1712 1 1 26 GLU OE2 O 3.520 13.713 8.364 1.00 . A A . 26 GLU OE2 1 1 4 1713 1 1 27 CYS C C 11.507 16.568 9.204 1.00 . A A . 27 CYS C 1 1 4 1714 1 1 27 CYS CA C 10.395 16.980 8.243 1.00 . A A . 27 CYS CA 1 1 4 1715 1 1 27 CYS CB C 9.681 18.224 8.775 1.00 . A A . 27 CYS CB 1 1 4 1716 1 1 27 CYS H H 9.013 15.491 8.837 1.00 . A A . 27 CYS H 1 1 4 1717 1 1 27 CYS HA H 10.833 17.210 7.284 1.00 . A A . 27 CYS HA 1 1 4 1718 1 1 27 CYS HB2 H 9.108 17.953 9.651 1.00 . A A . 27 CYS HB2 1 1 4 1719 1 1 27 CYS HB3 H 10.418 18.964 9.049 1.00 . A A . 27 CYS HB3 1 1 4 1720 1 1 27 CYS N N 9.444 15.892 8.052 1.00 . A A . 27 CYS N 1 1 4 1721 1 1 27 CYS O O 12.533 17.239 9.307 1.00 . A A . 27 CYS O 1 1 4 1722 1 1 27 CYS SG S 8.538 18.992 7.583 1.00 . A A . 27 CYS SG 1 1 4 1723 1 1 28 MET C C 12.599 13.491 10.584 1.00 . A A . 28 MET C 1 1 4 1724 1 1 28 MET CA C 12.278 14.957 10.857 1.00 . A A . 28 MET CA 1 1 4 1725 1 1 28 MET CB C 11.764 15.120 12.289 1.00 . A A . 28 MET CB 1 1 4 1726 1 1 28 MET CE C 14.113 16.811 15.174 1.00 . A A . 28 MET CE 1 1 4 1727 1 1 28 MET CG C 12.426 16.261 13.046 1.00 . A A . 28 MET CG 1 1 4 1728 1 1 28 MET H H 10.456 14.967 9.781 1.00 . A A . 28 MET H 1 1 4 1729 1 1 28 MET HA H 13.179 15.539 10.740 1.00 . A A . 28 MET HA 1 1 4 1730 1 1 28 MET HB2 H 10.701 15.306 12.258 1.00 . A A . 28 MET HB2 1 1 4 1731 1 1 28 MET HB3 H 11.946 14.204 12.831 1.00 . A A . 28 MET HB3 1 1 4 1732 1 1 28 MET HE1 H 14.187 17.671 14.525 1.00 . A A . 28 MET HE1 1 1 4 1733 1 1 28 MET HE2 H 14.094 17.138 16.204 1.00 . A A . 28 MET HE2 1 1 4 1734 1 1 28 MET HE3 H 14.964 16.166 15.017 1.00 . A A . 28 MET HE3 1 1 4 1735 1 1 28 MET HG2 H 13.405 16.434 12.625 1.00 . A A . 28 MET HG2 1 1 4 1736 1 1 28 MET HG3 H 11.823 17.149 12.928 1.00 . A A . 28 MET HG3 1 1 4 1737 1 1 28 MET N N 11.294 15.460 9.906 1.00 . A A . 28 MET N 1 1 4 1738 1 1 28 MET O O 11.765 12.604 10.766 1.00 . A A . 28 MET O 1 1 4 1739 1 1 28 MET SD S 12.608 15.913 14.806 1.00 . A A . 28 MET SD 1 1 4 1740 1 1 29 PRO C C 14.461 11.018 11.082 1.00 . A A . 29 PRO C 1 1 4 1741 1 1 29 PRO CA C 14.295 11.871 9.830 1.00 . A A . 29 PRO CA 1 1 4 1742 1 1 29 PRO CB C 15.650 12.099 9.154 1.00 . A A . 29 PRO CB 1 1 4 1743 1 1 29 PRO CD C 14.882 14.237 9.897 1.00 . A A . 29 PRO CD 1 1 4 1744 1 1 29 PRO CG C 16.119 13.411 9.681 1.00 . A A . 29 PRO CG 1 1 4 1745 1 1 29 PRO HA H 13.628 11.373 9.142 1.00 . A A . 29 PRO HA 1 1 4 1746 1 1 29 PRO HB2 H 16.327 11.300 9.422 1.00 . A A . 29 PRO HB2 1 1 4 1747 1 1 29 PRO HB3 H 15.522 12.127 8.083 1.00 . A A . 29 PRO HB3 1 1 4 1748 1 1 29 PRO HD2 H 15.002 14.879 10.757 1.00 . A A . 29 PRO HD2 1 1 4 1749 1 1 29 PRO HD3 H 14.659 14.821 9.017 1.00 . A A . 29 PRO HD3 1 1 4 1750 1 1 29 PRO HG2 H 16.642 13.266 10.614 1.00 . A A . 29 PRO HG2 1 1 4 1751 1 1 29 PRO HG3 H 16.765 13.887 8.958 1.00 . A A . 29 PRO HG3 1 1 4 1752 1 1 29 PRO N N 13.836 13.229 10.137 1.00 . A A . 29 PRO N 1 1 4 1753 1 1 29 PRO O O 14.566 9.794 11.002 1.00 . A A . 29 PRO O 1 1 4 1754 1 1 30 SER C C 13.321 10.350 13.954 1.00 . A A . 30 SER C 1 1 4 1755 1 1 30 SER CA C 14.641 10.972 13.509 1.00 . A A . 30 SER CA 1 1 4 1756 1 1 30 SER CB C 15.152 11.933 14.585 1.00 . A A . 30 SER CB 1 1 4 1757 1 1 30 SER H H 14.396 12.648 12.238 1.00 . A A . 30 SER H 1 1 4 1758 1 1 30 SER HA H 15.366 10.185 13.367 1.00 . A A . 30 SER HA 1 1 4 1759 1 1 30 SER HB2 H 15.935 12.550 14.170 1.00 . A A . 30 SER HB2 1 1 4 1760 1 1 30 SER HB3 H 14.339 12.559 14.920 1.00 . A A . 30 SER HB3 1 1 4 1761 1 1 30 SER HG H 14.983 10.669 16.072 1.00 . A A . 30 SER HG 1 1 4 1762 1 1 30 SER N N 14.484 11.671 12.239 1.00 . A A . 30 SER N 1 1 4 1763 1 1 30 SER O O 13.081 10.158 15.146 1.00 . A A . 30 SER O 1 1 4 1764 1 1 30 SER OG O 15.671 11.224 15.697 1.00 . A A . 30 SER OG 1 1 4 1765 1 1 31 CYS C C 11.260 7.914 13.265 1.00 . A A . 31 CYS C 1 1 4 1766 1 1 31 CYS CA C 11.169 9.437 13.274 1.00 . A A . 31 CYS CA 1 1 4 1767 1 1 31 CYS CB C 10.130 9.902 12.252 1.00 . A A . 31 CYS CB 1 1 4 1768 1 1 31 CYS H H 12.714 10.214 12.053 1.00 . A A . 31 CYS H 1 1 4 1769 1 1 31 CYS HA H 10.865 9.761 14.257 1.00 . A A . 31 CYS HA 1 1 4 1770 1 1 31 CYS HB2 H 10.605 10.566 11.544 1.00 . A A . 31 CYS HB2 1 1 4 1771 1 1 31 CYS HB3 H 9.742 9.042 11.727 1.00 . A A . 31 CYS HB3 1 1 4 1772 1 1 31 CYS N N 12.466 10.037 12.985 1.00 . A A . 31 CYS N 1 1 4 1773 1 1 31 CYS O O 10.368 7.231 12.763 1.00 . A A . 31 CYS O 1 1 4 1774 1 1 31 CYS SG S 8.717 10.792 12.981 1.00 . A A . 31 CYS SG 1 1 4 1775 1 1 32 ASN C C 13.285 5.551 15.160 1.00 . A A . 32 ASN C 1 1 4 1776 1 1 32 ASN CA C 12.555 5.946 13.880 1.00 . A A . 32 ASN CA 1 1 4 1777 1 1 32 ASN CB C 13.350 5.477 12.660 1.00 . A A . 32 ASN CB 1 1 4 1778 1 1 32 ASN CG C 14.740 6.082 12.608 1.00 . A A . 32 ASN CG 1 1 4 1779 1 1 32 ASN H H 13.023 7.984 14.207 1.00 . A A . 32 ASN H 1 1 4 1780 1 1 32 ASN HA H 11.586 5.470 13.871 1.00 . A A . 32 ASN HA 1 1 4 1781 1 1 32 ASN HB2 H 13.449 4.401 12.694 1.00 . A A . 32 ASN HB2 1 1 4 1782 1 1 32 ASN HB3 H 12.821 5.758 11.762 1.00 . A A . 32 ASN HB3 1 1 4 1783 1 1 32 ASN HD21 H 14.691 6.087 10.620 1.00 . A A . 32 ASN HD21 1 1 4 1784 1 1 32 ASN HD22 H 16.135 6.706 11.337 1.00 . A A . 32 ASN HD22 1 1 4 1785 1 1 32 ASN N N 12.346 7.388 13.823 1.00 . A A . 32 ASN N 1 1 4 1786 1 1 32 ASN ND2 N 15.239 6.315 11.400 1.00 . A A . 32 ASN ND2 1 1 4 1787 1 1 32 ASN O O 13.194 6.241 16.175 1.00 . A A . 32 ASN O 1 1 4 1788 1 1 32 ASN OD1 O 15.357 6.338 13.643 1.00 . A A . 32 ASN OD1 1 1 5 1789 1 1 1 2KT C1 C 2.514 5.004 14.454 1.00 . A A . 1 2KT C1 1 1 5 1790 1 1 1 2KT C2 C 2.106 4.342 13.363 1.00 . A A . 1 2KT C2 1 1 5 1791 1 1 1 2KT C3 C 0.909 3.917 13.288 1.00 . A A . 1 2KT C3 1 1 5 1792 1 1 1 2KT C4 C 0.176 4.548 12.434 1.00 . A A . 1 2KT C4 1 1 5 1793 1 1 1 2KT H31 H 0.291 4.022 14.067 1.00 . A A . 1 2KT H31 1 1 5 1794 1 1 1 2KT H32 H 0.732 2.948 13.118 1.00 . A A . 1 2KT H32 1 1 5 1795 1 1 1 2KT H41 H 0.507 4.692 11.501 1.00 . A A . 1 2KT H41 1 1 5 1796 1 1 1 2KT H42 H -0.728 4.195 12.194 1.00 . A A . 1 2KT H42 1 1 5 1797 1 1 1 2KT H43 H -0.102 5.492 12.615 1.00 . A A . 1 2KT H43 1 1 5 1798 1 1 1 2KT O1 O 1.711 5.148 15.376 1.00 . A A . 1 2KT O1 1 1 5 1799 1 1 1 2KT O3 O 2.912 4.159 12.447 1.00 . A A . 1 2KT O3 1 1 5 1800 1 1 2 ILE C C 3.551 7.548 15.805 1.00 . A A . 2 ILE C 1 1 5 1801 1 1 2 ILE CA C 4.257 6.205 15.654 1.00 . A A . 2 ILE CA 1 1 5 1802 1 1 2 ILE CB C 5.776 6.444 15.554 1.00 . A A . 2 ILE CB 1 1 5 1803 1 1 2 ILE CD1 C 7.476 7.641 14.087 1.00 . A A . 2 ILE CD1 1 1 5 1804 1 1 2 ILE CG1 C 6.148 6.920 14.148 1.00 . A A . 2 ILE CG1 1 1 5 1805 1 1 2 ILE CG2 C 6.536 5.174 15.908 1.00 . A A . 2 ILE CG2 1 1 5 1806 1 1 2 ILE H H 4.349 5.329 13.729 1.00 . A A . 2 ILE H 1 1 5 1807 1 1 2 ILE HA H 4.064 5.607 16.533 1.00 . A A . 2 ILE HA 1 1 5 1808 1 1 2 ILE HB H 6.045 7.207 16.268 1.00 . A A . 2 ILE HB 1 1 5 1809 1 1 2 ILE HD11 H 7.986 7.378 13.171 1.00 . A A . 2 ILE HD11 1 1 5 1810 1 1 2 ILE HD12 H 7.309 8.707 14.110 1.00 . A A . 2 ILE HD12 1 1 5 1811 1 1 2 ILE HD13 H 8.083 7.352 14.931 1.00 . A A . 2 ILE HD13 1 1 5 1812 1 1 2 ILE HG12 H 6.203 6.068 13.489 1.00 . A A . 2 ILE HG12 1 1 5 1813 1 1 2 ILE HG13 H 5.385 7.597 13.792 1.00 . A A . 2 ILE HG13 1 1 5 1814 1 1 2 ILE HG21 H 5.868 4.328 15.853 1.00 . A A . 2 ILE HG21 1 1 5 1815 1 1 2 ILE HG22 H 7.349 5.036 15.211 1.00 . A A . 2 ILE HG22 1 1 5 1816 1 1 2 ILE HG23 H 6.930 5.258 16.910 1.00 . A A . 2 ILE HG23 1 1 5 1817 1 1 2 ILE N N 3.756 5.475 14.496 1.00 . A A . 2 ILE N 1 1 5 1818 1 1 2 ILE O O 2.639 7.868 15.041 1.00 . A A . 2 ILE O 1 1 5 1819 1 1 3 . C C 2.606 9.614 18.347 1.00 . A A . 3 DBB C 1 1 5 1820 1 1 3 . CA C 3.389 9.626 17.048 1.00 . A A . 3 DBB CA 1 1 5 1821 1 1 3 . CB C 4.476 10.719 17.111 1.00 . A A . 3 DBB CB 1 1 5 1822 1 1 3 . CG C 5.355 10.609 15.865 1.00 . A A . 3 DBB CG 1 1 5 1823 1 1 3 . H H 4.714 8.006 17.364 1.00 . A A . 3 DBB H 1 1 5 1824 1 1 3 . HA H 2.718 9.861 16.236 1.00 . A A . 3 DBB HA 1 1 5 1825 1 1 3 . HB3 H 5.093 10.502 17.975 1.00 . A A . 3 DBB HB3 1 1 5 1826 1 1 3 . HG1 H 5.956 11.499 15.771 1.00 . A A . 3 DBB HG1 1 1 5 1827 1 1 3 . HG2 H 4.730 10.499 14.992 1.00 . A A . 3 DBB HG2 1 1 5 1828 1 1 3 . HG3 H 6.000 9.748 15.962 1.00 . A A . 3 DBB HG3 1 1 5 1829 1 1 3 . N N 3.978 8.323 16.787 1.00 . A A . 3 DBB N 1 1 5 1830 1 1 3 . O O 2.351 10.664 18.938 1.00 . A A . 3 DBB O 1 1 5 1831 1 1 4 LEU C C 1.783 9.373 21.011 1.00 . A A . 4 LEU C 1 1 5 1832 1 1 4 LEU CA C 1.428 8.279 20.008 1.00 . A A . 4 LEU CA 1 1 5 1833 1 1 4 LEU CB C 1.670 6.903 20.630 1.00 . A A . 4 LEU CB 1 1 5 1834 1 1 4 LEU CD1 C 1.226 5.296 18.758 1.00 . A A . 4 LEU CD1 1 1 5 1835 1 1 4 LEU CD2 C 0.761 4.619 21.121 1.00 . A A . 4 LEU CD2 1 1 5 1836 1 1 4 LEU CG C 0.771 5.772 20.128 1.00 . A A . 4 LEU CG 1 1 5 1837 1 1 4 LEU H H 2.439 7.623 18.269 1.00 . A A . 4 LEU H 1 1 5 1838 1 1 4 LEU HA H 0.383 8.370 19.749 1.00 . A A . 4 LEU HA 1 1 5 1839 1 1 4 LEU HB2 H 2.693 6.625 20.429 1.00 . A A . 4 LEU HB2 1 1 5 1840 1 1 4 LEU HB3 H 1.525 6.993 21.697 1.00 . A A . 4 LEU HB3 1 1 5 1841 1 1 4 LEU HD11 H 2.243 5.615 18.586 1.00 . A A . 4 LEU HD11 1 1 5 1842 1 1 4 LEU HD12 H 0.583 5.715 17.999 1.00 . A A . 4 LEU HD12 1 1 5 1843 1 1 4 LEU HD13 H 1.176 4.217 18.717 1.00 . A A . 4 LEU HD13 1 1 5 1844 1 1 4 LEU HD21 H 0.461 4.982 22.092 1.00 . A A . 4 LEU HD21 1 1 5 1845 1 1 4 LEU HD22 H 1.751 4.192 21.185 1.00 . A A . 4 LEU HD22 1 1 5 1846 1 1 4 LEU HD23 H 0.064 3.863 20.787 1.00 . A A . 4 LEU HD23 1 1 5 1847 1 1 4 LEU HG H -0.242 6.141 20.033 1.00 . A A . 4 LEU HG 1 1 5 1848 1 1 4 LEU N N 2.206 8.424 18.783 1.00 . A A . 4 LEU N 1 1 5 1849 1 1 4 LEU O O 2.965 9.590 21.294 1.00 . A A . 4 LEU O 1 1 5 1850 1 1 5 DHA C C 0.530 12.359 22.164 1.00 . A A . 5 DHA C 1 1 5 1851 1 1 5 DHA CA C 0.961 11.045 22.449 1.00 . A A . 5 DHA CA 1 1 5 1852 1 1 5 DHA CB C 1.536 10.771 23.626 1.00 . A A . 5 DHA CB 1 1 5 1853 1 1 5 DHA H H -0.129 9.778 21.230 1.00 . A A . 5 DHA H 1 1 5 1854 1 1 5 DHA HB1 H 1.857 9.764 23.851 1.00 . A A . 5 DHA HB1 1 1 5 1855 1 1 5 DHA HB2 H 1.649 11.545 24.363 1.00 . A A . 5 DHA HB2 1 1 5 1856 1 1 5 DHA N N 0.760 10.044 21.535 1.00 . A A . 5 DHA N 1 1 5 1857 1 1 5 DHA O O -0.654 12.686 22.294 1.00 . A A . 5 DHA O 1 1 5 1858 1 1 6 DBU C C 1.136 14.827 19.840 1.00 . A A . 6 DBU C 1 1 5 1859 1 1 6 DBU CA C 1.119 14.440 21.308 1.00 . A A . 6 DBU CA 1 1 5 1860 1 1 6 DBU CB C 0.767 15.341 22.239 1.00 . A A . 6 DBU CB 1 1 5 1861 1 1 6 DBU CG C 0.755 14.931 23.682 1.00 . A A . 6 DBU CG 1 1 5 1862 1 1 6 DBU H1 H 2.371 12.811 21.609 1.00 . A A . 6 DBU H1 1 1 5 1863 1 1 6 DBU HB1 H 0.504 16.348 21.946 1.00 . A A . 6 DBU HB1 1 1 5 1864 1 1 6 DBU HG1 H 1.721 14.536 23.953 1.00 . A A . 6 DBU HG1 1 1 5 1865 1 1 6 DBU HG2 H 0.009 14.169 23.835 1.00 . A A . 6 DBU HG2 1 1 5 1866 1 1 6 DBU HG3 H 0.528 15.793 24.293 1.00 . A A . 6 DBU HG3 1 1 5 1867 1 1 6 DBU N N 1.458 13.170 21.669 1.00 . A A . 6 DBU N 1 1 5 1868 1 1 6 DBU O O 0.861 15.971 19.478 1.00 . A A . 6 DBU O 1 1 5 1869 1 1 7 CYS C C 0.232 14.492 16.981 1.00 . A A . 7 CYS C 1 1 5 1870 1 1 7 CYS CA C 1.592 14.109 17.560 1.00 . A A . 7 CYS CA 1 1 5 1871 1 1 7 CYS CB C 2.130 12.867 16.847 1.00 . A A . 7 CYS CB 1 1 5 1872 1 1 7 CYS H H 1.705 12.975 19.344 1.00 . A A . 7 CYS H 1 1 5 1873 1 1 7 CYS HA H 2.278 14.928 17.405 1.00 . A A . 7 CYS HA 1 1 5 1874 1 1 7 CYS HB2 H 1.489 12.027 17.071 1.00 . A A . 7 CYS HB2 1 1 5 1875 1 1 7 CYS HB3 H 2.126 13.042 15.782 1.00 . A A . 7 CYS HB3 1 1 5 1876 1 1 7 CYS N N 1.497 13.868 18.994 1.00 . A A . 7 CYS N 1 1 5 1877 1 1 7 CYS O O 0.068 15.574 16.420 1.00 . A A . 7 CYS O 1 1 5 1878 1 1 7 CYS SG S 3.827 12.410 17.329 1.00 . A A . 7 CYS SG 1 1 5 1879 1 1 8 ALA C C -2.811 14.874 17.470 1.00 . A A . 8 ALA C 1 1 5 1880 1 1 8 ALA CA C -2.084 13.839 16.618 1.00 . A A . 8 ALA CA 1 1 5 1881 1 1 8 ALA CB C -2.874 12.540 16.573 1.00 . A A . 8 ALA CB 1 1 5 1882 1 1 8 ALA H H -0.546 12.750 17.581 1.00 . A A . 8 ALA H 1 1 5 1883 1 1 8 ALA HA H -1.998 14.215 15.608 1.00 . A A . 8 ALA HA 1 1 5 1884 1 1 8 ALA HB1 H -2.298 11.787 16.055 1.00 . A A . 8 ALA HB1 1 1 5 1885 1 1 8 ALA HB2 H -3.079 12.208 17.580 1.00 . A A . 8 ALA HB2 1 1 5 1886 1 1 8 ALA HB3 H -3.805 12.703 16.051 1.00 . A A . 8 ALA HB3 1 1 5 1887 1 1 8 ALA N N -0.739 13.595 17.124 1.00 . A A . 8 ALA N 1 1 5 1888 1 1 8 ALA O O -3.979 15.181 17.227 1.00 . A A . 8 ALA O 1 1 5 1889 1 1 9 ILE C C -2.330 17.818 18.906 1.00 . A A . 9 ILE C 1 1 5 1890 1 1 9 ILE CA C -2.695 16.407 19.355 1.00 . A A . 9 ILE CA 1 1 5 1891 1 1 9 ILE CB C -2.231 16.207 20.810 1.00 . A A . 9 ILE CB 1 1 5 1892 1 1 9 ILE CD1 C -2.548 14.637 22.788 1.00 . A A . 9 ILE CD1 1 1 5 1893 1 1 9 ILE CG1 C -2.561 14.790 21.283 1.00 . A A . 9 ILE CG1 1 1 5 1894 1 1 9 ILE CG2 C -2.879 17.240 21.719 1.00 . A A . 9 ILE CG2 1 1 5 1895 1 1 9 ILE H H -1.189 15.121 18.611 1.00 . A A . 9 ILE H 1 1 5 1896 1 1 9 ILE HA H -3.770 16.297 19.323 1.00 . A A . 9 ILE HA 1 1 5 1897 1 1 9 ILE HB H -1.162 16.351 20.846 1.00 . A A . 9 ILE HB 1 1 5 1898 1 1 9 ILE HD11 H -2.550 13.587 23.043 1.00 . A A . 9 ILE HD11 1 1 5 1899 1 1 9 ILE HD12 H -1.660 15.102 23.190 1.00 . A A . 9 ILE HD12 1 1 5 1900 1 1 9 ILE HD13 H -3.424 15.110 23.206 1.00 . A A . 9 ILE HD13 1 1 5 1901 1 1 9 ILE HG12 H -3.544 14.519 20.931 1.00 . A A . 9 ILE HG12 1 1 5 1902 1 1 9 ILE HG13 H -1.835 14.103 20.873 1.00 . A A . 9 ILE HG13 1 1 5 1903 1 1 9 ILE HG21 H -3.953 17.135 21.674 1.00 . A A . 9 ILE HG21 1 1 5 1904 1 1 9 ILE HG22 H -2.546 17.084 22.735 1.00 . A A . 9 ILE HG22 1 1 5 1905 1 1 9 ILE HG23 H -2.600 18.231 21.396 1.00 . A A . 9 ILE HG23 1 1 5 1906 1 1 9 ILE N N -2.115 15.407 18.468 1.00 . A A . 9 ILE N 1 1 5 1907 1 1 9 ILE O O -3.189 18.697 18.822 1.00 . A A . 9 ILE O 1 1 5 1908 1 1 10 LEU C C -0.484 19.393 16.653 1.00 . A A . 10 LEU C 1 1 5 1909 1 1 10 LEU CA C -0.570 19.333 18.175 1.00 . A A . 10 LEU CA 1 1 5 1910 1 1 10 LEU CB C 0.800 19.628 18.786 1.00 . A A . 10 LEU CB 1 1 5 1911 1 1 10 LEU CD1 C 0.211 21.703 20.064 1.00 . A A . 10 LEU CD1 1 1 5 1912 1 1 10 LEU CD2 C 2.588 21.268 19.418 1.00 . A A . 10 LEU CD2 1 1 5 1913 1 1 10 LEU CG C 1.131 21.104 19.011 1.00 . A A . 10 LEU CG 1 1 5 1914 1 1 10 LEU H H -0.413 17.290 18.704 1.00 . A A . 10 LEU H 1 1 5 1915 1 1 10 LEU HA H -1.275 20.077 18.513 1.00 . A A . 10 LEU HA 1 1 5 1916 1 1 10 LEU HB2 H 0.850 19.129 19.742 1.00 . A A . 10 LEU HB2 1 1 5 1917 1 1 10 LEU HB3 H 1.551 19.216 18.127 1.00 . A A . 10 LEU HB3 1 1 5 1918 1 1 10 LEU HD11 H 0.794 22.279 20.766 1.00 . A A . 10 LEU HD11 1 1 5 1919 1 1 10 LEU HD12 H -0.302 20.909 20.587 1.00 . A A . 10 LEU HD12 1 1 5 1920 1 1 10 LEU HD13 H -0.514 22.345 19.585 1.00 . A A . 10 LEU HD13 1 1 5 1921 1 1 10 LEU HD21 H 2.965 22.204 19.035 1.00 . A A . 10 LEU HD21 1 1 5 1922 1 1 10 LEU HD22 H 3.168 20.453 19.013 1.00 . A A . 10 LEU HD22 1 1 5 1923 1 1 10 LEU HD23 H 2.663 21.263 20.496 1.00 . A A . 10 LEU HD23 1 1 5 1924 1 1 10 LEU HG H 0.978 21.646 18.088 1.00 . A A . 10 LEU HG 1 1 5 1925 1 1 10 LEU N N -1.050 18.028 18.617 1.00 . A A . 10 LEU N 1 1 5 1926 1 1 10 LEU O O 0.236 20.219 16.089 1.00 . A A . 10 LEU O 1 1 5 1927 1 1 11 DAL C C -1.824 19.745 13.945 1.00 . A A . 11 DAL C 1 1 5 1928 1 1 11 DAL CA C -1.227 18.470 14.538 1.00 . A A . 11 DAL CA 1 1 5 1929 1 1 11 DAL CB C 0.194 18.277 14.019 1.00 . A A . 11 DAL CB 1 1 5 1930 1 1 11 DAL H H -1.780 17.880 16.490 1.00 . A A . 11 DAL H 1 1 5 1931 1 1 11 DAL HA H -1.827 17.626 14.236 1.00 . A A . 11 DAL HA 1 1 5 1932 1 1 11 DAL HB2 H 0.831 17.989 14.841 1.00 . A A . 11 DAL HB2 1 1 5 1933 1 1 11 DAL HB3 H 0.550 19.217 13.608 1.00 . A A . 11 DAL HB3 1 1 5 1934 1 1 11 DAL N N -1.223 18.518 15.991 1.00 . A A . 11 DAL N 1 1 5 1935 1 1 11 DAL O O -1.583 20.848 14.434 1.00 . A A . 11 DAL O 1 1 5 1936 1 1 12 LYS C C -4.685 20.396 11.858 1.00 . A A . 12 LYS C 1 1 5 1937 1 1 12 LYS CA C -3.236 20.714 12.214 1.00 . A A . 12 LYS CA 1 1 5 1938 1 1 12 LYS CB C -2.459 21.086 10.950 1.00 . A A . 12 LYS CB 1 1 5 1939 1 1 12 LYS CD C -1.536 20.312 8.746 1.00 . A A . 12 LYS CD 1 1 5 1940 1 1 12 LYS CE C -0.144 20.917 8.842 1.00 . A A . 12 LYS CE 1 1 5 1941 1 1 12 LYS CG C -2.053 19.887 10.110 1.00 . A A . 12 LYS CG 1 1 5 1942 1 1 12 LYS H H -2.760 18.677 12.537 1.00 . A A . 12 LYS H 1 1 5 1943 1 1 12 LYS HA H -3.221 21.551 12.896 1.00 . A A . 12 LYS HA 1 1 5 1944 1 1 12 LYS HB2 H -3.073 21.734 10.342 1.00 . A A . 12 LYS HB2 1 1 5 1945 1 1 12 LYS HB3 H -1.563 21.618 11.237 1.00 . A A . 12 LYS HB3 1 1 5 1946 1 1 12 LYS HD2 H -1.496 19.447 8.100 1.00 . A A . 12 LYS HD2 1 1 5 1947 1 1 12 LYS HD3 H -2.210 21.045 8.327 1.00 . A A . 12 LYS HD3 1 1 5 1948 1 1 12 LYS HE2 H 0.287 20.955 7.853 1.00 . A A . 12 LYS HE2 1 1 5 1949 1 1 12 LYS HE3 H -0.228 21.919 9.236 1.00 . A A . 12 LYS HE3 1 1 5 1950 1 1 12 LYS HG2 H -1.275 19.345 10.626 1.00 . A A . 12 LYS HG2 1 1 5 1951 1 1 12 LYS HG3 H -2.913 19.246 9.976 1.00 . A A . 12 LYS HG3 1 1 5 1952 1 1 12 LYS HZ1 H 1.733 20.190 9.401 1.00 . A A . 12 LYS HZ1 1 1 5 1953 1 1 12 LYS HZ2 H 0.461 19.120 9.718 1.00 . A A . 12 LYS HZ2 1 1 5 1954 1 1 12 LYS HZ3 H 0.692 20.474 10.704 1.00 . A A . 12 LYS HZ3 1 1 5 1955 1 1 12 LYS N N -2.604 19.582 12.881 1.00 . A A . 12 LYS N 1 1 5 1956 1 1 12 LYS NZ N 0.748 20.120 9.728 1.00 . A A . 12 LYS NZ 1 1 5 1957 1 1 12 LYS O O -5.075 19.236 11.718 1.00 . A A . 12 LYS O 1 1 5 1958 1 1 13 PRO C C -7.123 20.816 9.931 1.00 . A A . 13 PRO C 1 1 5 1959 1 1 13 PRO CA C -6.920 21.305 11.361 1.00 . A A . 13 PRO CA 1 1 5 1960 1 1 13 PRO CB C -7.469 22.725 11.523 1.00 . A A . 13 PRO CB 1 1 5 1961 1 1 13 PRO CD C -5.106 22.858 11.856 1.00 . A A . 13 PRO CD 1 1 5 1962 1 1 13 PRO CG C -6.290 23.613 11.319 1.00 . A A . 13 PRO CG 1 1 5 1963 1 1 13 PRO HA H -7.430 20.641 12.043 1.00 . A A . 13 PRO HA 1 1 5 1964 1 1 13 PRO HB2 H -8.233 22.905 10.780 1.00 . A A . 13 PRO HB2 1 1 5 1965 1 1 13 PRO HB3 H -7.885 22.843 12.512 1.00 . A A . 13 PRO HB3 1 1 5 1966 1 1 13 PRO HD2 H -4.223 23.075 11.273 1.00 . A A . 13 PRO HD2 1 1 5 1967 1 1 13 PRO HD3 H -4.943 23.102 12.896 1.00 . A A . 13 PRO HD3 1 1 5 1968 1 1 13 PRO HG2 H -6.160 23.814 10.266 1.00 . A A . 13 PRO HG2 1 1 5 1969 1 1 13 PRO HG3 H -6.426 24.534 11.865 1.00 . A A . 13 PRO HG3 1 1 5 1970 1 1 13 PRO N N -5.503 21.448 11.705 1.00 . A A . 13 PRO N 1 1 5 1971 1 1 13 PRO O O -6.161 20.504 9.228 1.00 . A A . 13 PRO O 1 1 5 1972 1 1 14 LEU C C -8.491 21.416 7.141 1.00 . A A . 14 LEU C 1 1 5 1973 1 1 14 LEU CA C -8.709 20.300 8.158 1.00 . A A . 14 LEU CA 1 1 5 1974 1 1 14 LEU CB C -10.160 19.818 8.100 1.00 . A A . 14 LEU CB 1 1 5 1975 1 1 14 LEU CD1 C -9.738 18.192 6.239 1.00 . A A . 14 LEU CD1 1 1 5 1976 1 1 14 LEU CD2 C -9.805 17.389 8.607 1.00 . A A . 14 LEU CD2 1 1 5 1977 1 1 14 LEU CG C -10.373 18.386 7.608 1.00 . A A . 14 LEU CG 1 1 5 1978 1 1 14 LEU H H -9.104 21.013 10.111 1.00 . A A . 14 LEU H 1 1 5 1979 1 1 14 LEU HA H -8.055 19.476 7.915 1.00 . A A . 14 LEU HA 1 1 5 1980 1 1 14 LEU HB2 H -10.572 19.890 9.095 1.00 . A A . 14 LEU HB2 1 1 5 1981 1 1 14 LEU HB3 H -10.701 20.480 7.440 1.00 . A A . 14 LEU HB3 1 1 5 1982 1 1 14 LEU HD11 H -8.765 18.659 6.225 1.00 . A A . 14 LEU HD11 1 1 5 1983 1 1 14 LEU HD12 H -10.366 18.644 5.485 1.00 . A A . 14 LEU HD12 1 1 5 1984 1 1 14 LEU HD13 H -9.636 17.136 6.037 1.00 . A A . 14 LEU HD13 1 1 5 1985 1 1 14 LEU HD21 H -8.872 17.765 9.001 1.00 . A A . 14 LEU HD21 1 1 5 1986 1 1 14 LEU HD22 H -9.632 16.444 8.113 1.00 . A A . 14 LEU HD22 1 1 5 1987 1 1 14 LEU HD23 H -10.508 17.249 9.416 1.00 . A A . 14 LEU HD23 1 1 5 1988 1 1 14 LEU HG H -11.433 18.199 7.513 1.00 . A A . 14 LEU HG 1 1 5 1989 1 1 14 LEU N N -8.380 20.751 9.505 1.00 . A A . 14 LEU N 1 1 5 1990 1 1 14 LEU O O -7.823 22.408 7.427 1.00 . A A . 14 LEU O 1 1 5 1991 1 1 15 GLY C C -7.657 22.061 4.096 1.00 . A A . 15 GLY C 1 1 5 1992 1 1 15 GLY CA C -8.921 22.248 4.912 1.00 . A A . 15 GLY CA 1 1 5 1993 1 1 15 GLY H H -9.584 20.435 5.781 1.00 . A A . 15 GLY H 1 1 5 1994 1 1 15 GLY HA2 H -9.774 22.191 4.253 1.00 . A A . 15 GLY HA2 1 1 5 1995 1 1 15 GLY HA3 H -8.898 23.226 5.370 1.00 . A A . 15 GLY HA3 1 1 5 1996 1 1 15 GLY N N -9.062 21.246 5.952 1.00 . A A . 15 GLY N 1 1 5 1997 1 1 15 GLY O O -6.556 22.032 4.643 1.00 . A A . 15 GLY O 1 1 5 1998 1 1 16 ASN C C -5.702 20.721 2.459 1.00 . A A . 16 ASN C 1 1 5 1999 1 1 16 ASN CA C -6.679 21.746 1.889 1.00 . A A . 16 ASN CA 1 1 5 2000 1 1 16 ASN CB C -5.961 23.077 1.657 1.00 . A A . 16 ASN CB 1 1 5 2001 1 1 16 ASN CG C -4.460 22.909 1.526 1.00 . A A . 16 ASN CG 1 1 5 2002 1 1 16 ASN H H -8.720 21.964 2.405 1.00 . A A . 16 ASN H 1 1 5 2003 1 1 16 ASN HA H -7.055 21.380 0.946 1.00 . A A . 16 ASN HA 1 1 5 2004 1 1 16 ASN HB2 H -6.334 23.526 0.748 1.00 . A A . 16 ASN HB2 1 1 5 2005 1 1 16 ASN HB3 H -6.161 23.736 2.488 1.00 . A A . 16 ASN HB3 1 1 5 2006 1 1 16 ASN HD21 H -4.645 22.555 -0.422 1.00 . A A . 16 ASN HD21 1 1 5 2007 1 1 16 ASN HD22 H -3.033 22.519 0.198 1.00 . A A . 16 ASN HD22 1 1 5 2008 1 1 16 ASN N N -7.816 21.933 2.782 1.00 . A A . 16 ASN N 1 1 5 2009 1 1 16 ASN ND2 N -3.999 22.633 0.311 1.00 . A A . 16 ASN ND2 1 1 5 2010 1 1 16 ASN O O -4.843 21.055 3.274 1.00 . A A . 16 ASN O 1 1 5 2011 1 1 16 ASN OD1 O -3.723 23.026 2.505 1.00 . A A . 16 ASN OD1 1 1 5 2012 1 1 17 ASN C C -4.958 18.334 4.016 1.00 . A A . 17 ASN C 1 1 5 2013 1 1 17 ASN CA C -4.972 18.400 2.491 1.00 . A A . 17 ASN CA 1 1 5 2014 1 1 17 ASN CB C -3.549 18.603 1.966 1.00 . A A . 17 ASN CB 1 1 5 2015 1 1 17 ASN CG C -2.782 19.641 2.761 1.00 . A A . 17 ASN CG 1 1 5 2016 1 1 17 ASN H H -6.546 19.269 1.374 1.00 . A A . 17 ASN H 1 1 5 2017 1 1 17 ASN HA H -5.359 17.468 2.106 1.00 . A A . 17 ASN HA 1 1 5 2018 1 1 17 ASN HB2 H -3.014 17.666 2.023 1.00 . A A . 17 ASN HB2 1 1 5 2019 1 1 17 ASN HB3 H -3.594 18.925 0.936 1.00 . A A . 17 ASN HB3 1 1 5 2020 1 1 17 ASN HD21 H -2.241 20.562 1.084 1.00 . A A . 17 ASN HD21 1 1 5 2021 1 1 17 ASN HD22 H -1.662 21.270 2.550 1.00 . A A . 17 ASN HD22 1 1 5 2022 1 1 17 ASN N N -5.842 19.473 2.024 1.00 . A A . 17 ASN N 1 1 5 2023 1 1 17 ASN ND2 N -2.166 20.586 2.061 1.00 . A A . 17 ASN ND2 1 1 5 2024 1 1 17 ASN O O -5.653 19.096 4.686 1.00 . A A . 17 ASN O 1 1 5 2025 1 1 17 ASN OD1 O -2.743 19.593 3.991 1.00 . A A . 17 ASN OD1 1 1 5 2026 1 1 18 GLY C C -4.173 15.824 6.439 1.00 . A A . 18 GLY C 1 1 5 2027 1 1 18 GLY CA C -4.071 17.270 5.997 1.00 . A A . 18 GLY CA 1 1 5 2028 1 1 18 GLY H H -3.629 16.838 3.972 1.00 . A A . 18 GLY H 1 1 5 2029 1 1 18 GLY HA2 H -3.126 17.673 6.331 1.00 . A A . 18 GLY HA2 1 1 5 2030 1 1 18 GLY HA3 H -4.872 17.832 6.456 1.00 . A A . 18 GLY HA3 1 1 5 2031 1 1 18 GLY N N -4.161 17.418 4.556 1.00 . A A . 18 GLY N 1 1 5 2032 1 1 18 GLY O O -5.262 15.336 6.743 1.00 . A A . 18 GLY O 1 1 5 2033 1 1 19 TYR C C -2.412 13.587 8.277 1.00 . A A . 19 TYR C 1 1 5 2034 1 1 19 TYR CA C -3.003 13.736 6.879 1.00 . A A . 19 TYR CA 1 1 5 2035 1 1 19 TYR CB C -2.188 12.915 5.878 1.00 . A A . 19 TYR CB 1 1 5 2036 1 1 19 TYR CD1 C -3.886 11.166 5.216 1.00 . A A . 19 TYR CD1 1 1 5 2037 1 1 19 TYR CD2 C -1.838 10.433 6.190 1.00 . A A . 19 TYR CD2 1 1 5 2038 1 1 19 TYR CE1 C -4.308 9.856 5.106 1.00 . A A . 19 TYR CE1 1 1 5 2039 1 1 19 TYR CE2 C -2.251 9.120 6.083 1.00 . A A . 19 TYR CE2 1 1 5 2040 1 1 19 TYR CG C -2.646 11.478 5.759 1.00 . A A . 19 TYR CG 1 1 5 2041 1 1 19 TYR CZ C -3.488 8.836 5.541 1.00 . A A . 19 TYR CZ 1 1 5 2042 1 1 19 TYR H H -2.201 15.581 6.222 1.00 . A A . 19 TYR H 1 1 5 2043 1 1 19 TYR HA H -4.019 13.369 6.888 1.00 . A A . 19 TYR HA 1 1 5 2044 1 1 19 TYR HB2 H -2.266 13.368 4.902 1.00 . A A . 19 TYR HB2 1 1 5 2045 1 1 19 TYR HB3 H -1.153 12.909 6.186 1.00 . A A . 19 TYR HB3 1 1 5 2046 1 1 19 TYR HD1 H -4.526 11.968 4.876 1.00 . A A . 19 TYR HD1 1 1 5 2047 1 1 19 TYR HD2 H -0.870 10.659 6.614 1.00 . A A . 19 TYR HD2 1 1 5 2048 1 1 19 TYR HE1 H -5.276 9.633 4.682 1.00 . A A . 19 TYR HE1 1 1 5 2049 1 1 19 TYR HE2 H -1.609 8.321 6.423 1.00 . A A . 19 TYR HE2 1 1 5 2050 1 1 19 TYR HH H -4.713 7.493 4.916 1.00 . A A . 19 TYR HH 1 1 5 2051 1 1 19 TYR N N -3.037 15.137 6.475 1.00 . A A . 19 TYR N 1 1 5 2052 1 1 19 TYR O O -2.210 14.573 8.988 1.00 . A A . 19 TYR O 1 1 5 2053 1 1 19 TYR OH O -3.904 7.529 5.432 1.00 . A A . 19 TYR OH 1 1 5 2054 1 1 20 LEU C C -0.427 13.028 10.296 1.00 . A A . 20 LEU C 1 1 5 2055 1 1 20 LEU CA C -1.567 12.066 9.980 1.00 . A A . 20 LEU CA 1 1 5 2056 1 1 20 LEU CB C -1.063 10.623 10.041 1.00 . A A . 20 LEU CB 1 1 5 2057 1 1 20 LEU CD1 C -1.637 10.119 12.428 1.00 . A A . 20 LEU CD1 1 1 5 2058 1 1 20 LEU CD2 C 0.134 8.791 11.264 1.00 . A A . 20 LEU CD2 1 1 5 2059 1 1 20 LEU CG C -0.523 10.157 11.394 1.00 . A A . 20 LEU CG 1 1 5 2060 1 1 20 LEU H H -2.318 11.602 8.056 1.00 . A A . 20 LEU H 1 1 5 2061 1 1 20 LEU HA H -2.348 12.198 10.714 1.00 . A A . 20 LEU HA 1 1 5 2062 1 1 20 LEU HB2 H -1.883 9.975 9.772 1.00 . A A . 20 LEU HB2 1 1 5 2063 1 1 20 LEU HB3 H -0.271 10.519 9.313 1.00 . A A . 20 LEU HB3 1 1 5 2064 1 1 20 LEU HD11 H -1.209 10.136 13.419 1.00 . A A . 20 LEU HD11 1 1 5 2065 1 1 20 LEU HD12 H -2.215 9.215 12.302 1.00 . A A . 20 LEU HD12 1 1 5 2066 1 1 20 LEU HD13 H -2.279 10.978 12.298 1.00 . A A . 20 LEU HD13 1 1 5 2067 1 1 20 LEU HD21 H 1.165 8.914 10.967 1.00 . A A . 20 LEU HD21 1 1 5 2068 1 1 20 LEU HD22 H -0.389 8.210 10.518 1.00 . A A . 20 LEU HD22 1 1 5 2069 1 1 20 LEU HD23 H 0.090 8.279 12.214 1.00 . A A . 20 LEU HD23 1 1 5 2070 1 1 20 LEU HG H 0.225 10.858 11.736 1.00 . A A . 20 LEU HG 1 1 5 2071 1 1 20 LEU N N -2.136 12.347 8.666 1.00 . A A . 20 LEU N 1 1 5 2072 1 1 20 LEU O O 0.334 13.420 9.411 1.00 . A A . 20 LEU O 1 1 5 2073 1 1 21 CYS C C 1.962 13.551 12.487 1.00 . A A . 21 CYS C 1 1 5 2074 1 1 21 CYS CA C 0.736 14.319 12.001 1.00 . A A . 21 CYS CA 1 1 5 2075 1 1 21 CYS CB C 0.217 15.230 13.115 1.00 . A A . 21 CYS CB 1 1 5 2076 1 1 21 CYS H H -0.949 13.058 12.227 1.00 . A A . 21 CYS H 1 1 5 2077 1 1 21 CYS HA H 1.020 14.926 11.155 1.00 . A A . 21 CYS HA 1 1 5 2078 1 1 21 CYS HB2 H -0.822 14.999 13.304 1.00 . A A . 21 CYS HB2 1 1 5 2079 1 1 21 CYS HB3 H 0.789 15.049 14.013 1.00 . A A . 21 CYS HB3 1 1 5 2080 1 1 21 CYS N N -0.312 13.404 11.566 1.00 . A A . 21 CYS N 1 1 5 2081 1 1 21 CYS O O 2.092 12.352 12.236 1.00 . A A . 21 CYS O 1 1 5 2082 1 1 21 CYS SG S 0.327 17.008 12.734 1.00 . A A . 21 CYS SG 1 1 5 2083 1 1 22 . C C 4.888 13.040 12.568 1.00 . A A . 22 DBB C 1 1 5 2084 1 1 22 . CA C 4.066 13.640 13.694 1.00 . A A . 22 DBB CA 1 1 5 2085 1 1 22 . CB C 4.916 14.676 14.459 1.00 . A A . 22 DBB CB 1 1 5 2086 1 1 22 . CG C 4.030 15.365 15.496 1.00 . A A . 22 DBB CG 1 1 5 2087 1 1 22 . H H 2.684 15.204 13.344 1.00 . A A . 22 DBB H 1 1 5 2088 1 1 22 . HA H 3.787 12.855 14.380 1.00 . A A . 22 DBB HA 1 1 5 2089 1 1 22 . HB3 H 5.230 15.422 13.738 1.00 . A A . 22 DBB HB3 1 1 5 2090 1 1 22 . HG1 H 4.341 15.070 16.486 1.00 . A A . 22 DBB HG1 1 1 5 2091 1 1 22 . HG2 H 3.001 15.081 15.338 1.00 . A A . 22 DBB HG2 1 1 5 2092 1 1 22 . HG3 H 4.132 16.436 15.392 1.00 . A A . 22 DBB HG3 1 1 5 2093 1 1 22 . N N 2.850 14.245 13.178 1.00 . A A . 22 DBB N 1 1 5 2094 1 1 22 . O O 5.524 12.000 12.739 1.00 . A A . 22 DBB O 1 1 5 2095 1 1 23 VAL C C 6.461 14.303 9.644 1.00 . A A . 23 VAL C 1 1 5 2096 1 1 23 VAL CA C 5.592 13.204 10.244 1.00 . A A . 23 VAL CA 1 1 5 2097 1 1 23 VAL CB C 4.634 12.673 9.160 1.00 . A A . 23 VAL CB 1 1 5 2098 1 1 23 VAL CG1 C 5.395 11.848 8.133 1.00 . A A . 23 VAL CG1 1 1 5 2099 1 1 23 VAL CG2 C 3.518 11.855 9.791 1.00 . A A . 23 VAL CG2 1 1 5 2100 1 1 23 VAL H H 4.334 14.512 11.333 1.00 . A A . 23 VAL H 1 1 5 2101 1 1 23 VAL HA H 6.227 12.390 10.563 1.00 . A A . 23 VAL HA 1 1 5 2102 1 1 23 VAL HB H 4.192 13.518 8.654 1.00 . A A . 23 VAL HB 1 1 5 2103 1 1 23 VAL HG11 H 5.304 10.799 8.375 1.00 . A A . 23 VAL HG11 1 1 5 2104 1 1 23 VAL HG12 H 4.985 12.030 7.150 1.00 . A A . 23 VAL HG12 1 1 5 2105 1 1 23 VAL HG13 H 6.438 12.131 8.146 1.00 . A A . 23 VAL HG13 1 1 5 2106 1 1 23 VAL HG21 H 2.605 12.432 9.794 1.00 . A A . 23 VAL HG21 1 1 5 2107 1 1 23 VAL HG22 H 3.369 10.950 9.221 1.00 . A A . 23 VAL HG22 1 1 5 2108 1 1 23 VAL HG23 H 3.786 11.601 10.806 1.00 . A A . 23 VAL HG23 1 1 5 2109 1 1 23 VAL N N 4.860 13.688 11.408 1.00 . A A . 23 VAL N 1 1 5 2110 1 1 23 VAL O O 6.089 15.478 9.661 1.00 . A A . 23 VAL O 1 1 5 2111 1 1 24 . C C 9.297 15.623 9.591 1.00 . A A . 24 DBB C 1 1 5 2112 1 1 24 . CA C 8.538 14.862 8.520 1.00 . A A . 24 DBB CA 1 1 5 2113 1 1 24 . CB C 9.538 14.141 7.592 1.00 . A A . 24 DBB CB 1 1 5 2114 1 1 24 . CG C 8.877 12.874 7.050 1.00 . A A . 24 DBB CG 1 1 5 2115 1 1 24 . H H 7.848 12.958 9.137 1.00 . A A . 24 DBB H 1 1 5 2116 1 1 24 . HA H 7.970 15.563 7.928 1.00 . A A . 24 DBB HA 1 1 5 2117 1 1 24 . HB3 H 10.380 13.842 8.205 1.00 . A A . 24 DBB HB3 1 1 5 2118 1 1 24 . HG1 H 7.814 13.036 6.959 1.00 . A A . 24 DBB HG1 1 1 5 2119 1 1 24 . HG2 H 9.063 12.053 7.724 1.00 . A A . 24 DBB HG2 1 1 5 2120 1 1 24 . HG3 H 9.291 12.648 6.077 1.00 . A A . 24 DBB HG3 1 1 5 2121 1 1 24 . N N 7.611 13.917 9.118 1.00 . A A . 24 DBB N 1 1 5 2122 1 1 24 . O O 9.071 15.424 10.785 1.00 . A A . 24 DBB O 1 1 5 2123 1 1 25 LYS C C 10.326 17.403 11.440 1.00 . A A . 25 LYS C 1 1 5 2124 1 1 25 LYS CA C 11.026 17.262 10.092 1.00 . A A . 25 LYS CA 1 1 5 2125 1 1 25 LYS CB C 11.318 18.646 9.510 1.00 . A A . 25 LYS CB 1 1 5 2126 1 1 25 LYS CD C 13.626 18.805 10.489 1.00 . A A . 25 LYS CD 1 1 5 2127 1 1 25 LYS CE C 13.217 19.868 11.497 1.00 . A A . 25 LYS CE 1 1 5 2128 1 1 25 LYS CG C 12.790 18.887 9.223 1.00 . A A . 25 LYS CG 1 1 5 2129 1 1 25 LYS H H 10.350 16.598 8.199 1.00 . A A . 25 LYS H 1 1 5 2130 1 1 25 LYS HA H 11.959 16.738 10.238 1.00 . A A . 25 LYS HA 1 1 5 2131 1 1 25 LYS HB2 H 10.770 18.758 8.586 1.00 . A A . 25 LYS HB2 1 1 5 2132 1 1 25 LYS HB3 H 10.982 19.397 10.211 1.00 . A A . 25 LYS HB3 1 1 5 2133 1 1 25 LYS HD2 H 13.492 17.831 10.936 1.00 . A A . 25 LYS HD2 1 1 5 2134 1 1 25 LYS HD3 H 14.667 18.945 10.233 1.00 . A A . 25 LYS HD3 1 1 5 2135 1 1 25 LYS HE2 H 12.877 20.741 10.962 1.00 . A A . 25 LYS HE2 1 1 5 2136 1 1 25 LYS HE3 H 12.411 19.480 12.103 1.00 . A A . 25 LYS HE3 1 1 5 2137 1 1 25 LYS HG2 H 13.139 18.140 8.525 1.00 . A A . 25 LYS HG2 1 1 5 2138 1 1 25 LYS HG3 H 12.907 19.870 8.789 1.00 . A A . 25 LYS HG3 1 1 5 2139 1 1 25 LYS HZ1 H 15.187 20.486 11.816 1.00 . A A . 25 LYS HZ1 1 1 5 2140 1 1 25 LYS HZ2 H 14.583 19.469 13.026 1.00 . A A . 25 LYS HZ2 1 1 5 2141 1 1 25 LYS HZ3 H 14.088 21.085 12.955 1.00 . A A . 25 LYS HZ3 1 1 5 2142 1 1 25 LYS N N 10.215 16.483 9.164 1.00 . A A . 25 LYS N 1 1 5 2143 1 1 25 LYS NZ N 14.348 20.254 12.385 1.00 . A A . 25 LYS NZ 1 1 5 2144 1 1 25 LYS O O 10.972 17.405 12.487 1.00 . A A . 25 LYS O 1 1 5 2145 1 1 26 GLU C C 8.592 16.586 13.642 1.00 . A A . 26 GLU C 1 1 5 2146 1 1 26 GLU CA C 8.215 17.659 12.624 1.00 . A A . 26 GLU CA 1 1 5 2147 1 1 26 GLU CB C 6.721 17.573 12.307 1.00 . A A . 26 GLU CB 1 1 5 2148 1 1 26 GLU CD C 4.854 18.402 10.820 1.00 . A A . 26 GLU CD 1 1 5 2149 1 1 26 GLU CG C 6.347 18.186 10.967 1.00 . A A . 26 GLU CG 1 1 5 2150 1 1 26 GLU H H 8.544 17.509 10.538 1.00 . A A . 26 GLU H 1 1 5 2151 1 1 26 GLU HA H 8.429 18.629 13.047 1.00 . A A . 26 GLU HA 1 1 5 2152 1 1 26 GLU HB2 H 6.426 16.535 12.299 1.00 . A A . 26 GLU HB2 1 1 5 2153 1 1 26 GLU HB3 H 6.171 18.089 13.080 1.00 . A A . 26 GLU HB3 1 1 5 2154 1 1 26 GLU HG2 H 6.844 19.140 10.871 1.00 . A A . 26 GLU HG2 1 1 5 2155 1 1 26 GLU HG3 H 6.680 17.527 10.179 1.00 . A A . 26 GLU HG3 1 1 5 2156 1 1 26 GLU N N 9.002 17.518 11.405 1.00 . A A . 26 GLU N 1 1 5 2157 1 1 26 GLU O O 8.838 16.882 14.811 1.00 . A A . 26 GLU O 1 1 5 2158 1 1 26 GLU OE1 O 4.111 17.399 10.776 1.00 . A A . 26 GLU OE1 1 1 5 2159 1 1 26 GLU OE2 O 4.428 19.574 10.750 1.00 . A A . 26 GLU OE2 1 1 5 2160 1 1 27 CYS C C 10.168 13.441 13.495 1.00 . A A . 27 CYS C 1 1 5 2161 1 1 27 CYS CA C 8.981 14.219 14.057 1.00 . A A . 27 CYS CA 1 1 5 2162 1 1 27 CYS CB C 7.780 13.287 14.226 1.00 . A A . 27 CYS CB 1 1 5 2163 1 1 27 CYS H H 8.430 15.164 12.245 1.00 . A A . 27 CYS H 1 1 5 2164 1 1 27 CYS HA H 9.253 14.620 15.021 1.00 . A A . 27 CYS HA 1 1 5 2165 1 1 27 CYS HB2 H 7.383 13.045 13.251 1.00 . A A . 27 CYS HB2 1 1 5 2166 1 1 27 CYS HB3 H 8.104 12.380 14.713 1.00 . A A . 27 CYS HB3 1 1 5 2167 1 1 27 CYS N N 8.636 15.338 13.188 1.00 . A A . 27 CYS N 1 1 5 2168 1 1 27 CYS O O 10.787 12.642 14.197 1.00 . A A . 27 CYS O 1 1 5 2169 1 1 27 CYS SG S 6.423 13.995 15.214 1.00 . A A . 27 CYS SG 1 1 5 2170 1 1 28 MET C C 12.525 14.010 10.906 1.00 . A A . 28 MET C 1 1 5 2171 1 1 28 MET CA C 11.591 13.003 11.570 1.00 . A A . 28 MET CA 1 1 5 2172 1 1 28 MET CB C 11.070 12.010 10.530 1.00 . A A . 28 MET CB 1 1 5 2173 1 1 28 MET CE C 10.032 8.742 10.913 1.00 . A A . 28 MET CE 1 1 5 2174 1 1 28 MET CG C 11.896 10.737 10.437 1.00 . A A . 28 MET CG 1 1 5 2175 1 1 28 MET H H 9.947 14.328 11.716 1.00 . A A . 28 MET H 1 1 5 2176 1 1 28 MET HA H 12.141 12.463 12.326 1.00 . A A . 28 MET HA 1 1 5 2177 1 1 28 MET HB2 H 10.056 11.738 10.785 1.00 . A A . 28 MET HB2 1 1 5 2178 1 1 28 MET HB3 H 11.073 12.486 9.561 1.00 . A A . 28 MET HB3 1 1 5 2179 1 1 28 MET HE1 H 9.636 9.395 10.149 1.00 . A A . 28 MET HE1 1 1 5 2180 1 1 28 MET HE2 H 10.339 7.809 10.465 1.00 . A A . 28 MET HE2 1 1 5 2181 1 1 28 MET HE3 H 9.272 8.553 11.656 1.00 . A A . 28 MET HE3 1 1 5 2182 1 1 28 MET HG2 H 11.748 10.298 9.462 1.00 . A A . 28 MET HG2 1 1 5 2183 1 1 28 MET HG3 H 12.938 10.992 10.560 1.00 . A A . 28 MET HG3 1 1 5 2184 1 1 28 MET N N 10.478 13.680 12.225 1.00 . A A . 28 MET N 1 1 5 2185 1 1 28 MET O O 12.163 14.687 9.944 1.00 . A A . 28 MET O 1 1 5 2186 1 1 28 MET SD S 11.444 9.523 11.691 1.00 . A A . 28 MET SD 1 1 5 2187 1 1 29 PRO C C 15.279 14.608 9.531 1.00 . A A . 29 PRO C 1 1 5 2188 1 1 29 PRO CA C 14.766 15.033 10.903 1.00 . A A . 29 PRO CA 1 1 5 2189 1 1 29 PRO CB C 15.889 14.959 11.940 1.00 . A A . 29 PRO CB 1 1 5 2190 1 1 29 PRO CD C 14.255 13.335 12.577 1.00 . A A . 29 PRO CD 1 1 5 2191 1 1 29 PRO CG C 15.731 13.620 12.574 1.00 . A A . 29 PRO CG 1 1 5 2192 1 1 29 PRO HA H 14.391 16.045 10.848 1.00 . A A . 29 PRO HA 1 1 5 2193 1 1 29 PRO HB2 H 16.846 15.052 11.445 1.00 . A A . 29 PRO HB2 1 1 5 2194 1 1 29 PRO HB3 H 15.771 15.753 12.661 1.00 . A A . 29 PRO HB3 1 1 5 2195 1 1 29 PRO HD2 H 14.074 12.279 12.436 1.00 . A A . 29 PRO HD2 1 1 5 2196 1 1 29 PRO HD3 H 13.806 13.677 13.498 1.00 . A A . 29 PRO HD3 1 1 5 2197 1 1 29 PRO HG2 H 16.256 12.875 11.995 1.00 . A A . 29 PRO HG2 1 1 5 2198 1 1 29 PRO HG3 H 16.109 13.646 13.585 1.00 . A A . 29 PRO HG3 1 1 5 2199 1 1 29 PRO N N 13.755 14.112 11.430 1.00 . A A . 29 PRO N 1 1 5 2200 1 1 29 PRO O O 15.926 15.387 8.831 1.00 . A A . 29 PRO O 1 1 5 2201 1 1 30 SER C C 14.525 13.347 6.739 1.00 . A A . 30 SER C 1 1 5 2202 1 1 30 SER CA C 15.420 12.839 7.865 1.00 . A A . 30 SER CA 1 1 5 2203 1 1 30 SER CB C 15.410 11.309 7.889 1.00 . A A . 30 SER CB 1 1 5 2204 1 1 30 SER H H 14.466 12.795 9.755 1.00 . A A . 30 SER H 1 1 5 2205 1 1 30 SER HA H 16.429 13.181 7.690 1.00 . A A . 30 SER HA 1 1 5 2206 1 1 30 SER HB2 H 15.632 10.966 8.888 1.00 . A A . 30 SER HB2 1 1 5 2207 1 1 30 SER HB3 H 14.433 10.954 7.595 1.00 . A A . 30 SER HB3 1 1 5 2208 1 1 30 SER HG H 17.230 11.181 7.175 1.00 . A A . 30 SER HG 1 1 5 2209 1 1 30 SER N N 14.985 13.368 9.153 1.00 . A A . 30 SER N 1 1 5 2210 1 1 30 SER O O 14.368 12.689 5.710 1.00 . A A . 30 SER O 1 1 5 2211 1 1 30 SER OG O 16.376 10.779 6.999 1.00 . A A . 30 SER OG 1 1 5 2212 1 1 31 CYS C C 13.833 16.074 5.039 1.00 . A A . 31 CYS C 1 1 5 2213 1 1 31 CYS CA C 13.060 15.121 5.945 1.00 . A A . 31 CYS CA 1 1 5 2214 1 1 31 CYS CB C 11.913 15.867 6.629 1.00 . A A . 31 CYS CB 1 1 5 2215 1 1 31 CYS H H 14.103 15.000 7.782 1.00 . A A . 31 CYS H 1 1 5 2216 1 1 31 CYS HA H 12.650 14.324 5.342 1.00 . A A . 31 CYS HA 1 1 5 2217 1 1 31 CYS HB2 H 12.045 15.811 7.700 1.00 . A A . 31 CYS HB2 1 1 5 2218 1 1 31 CYS HB3 H 11.934 16.903 6.323 1.00 . A A . 31 CYS HB3 1 1 5 2219 1 1 31 CYS N N 13.940 14.522 6.941 1.00 . A A . 31 CYS N 1 1 5 2220 1 1 31 CYS O O 14.302 17.123 5.480 1.00 . A A . 31 CYS O 1 1 5 2221 1 1 31 CYS SG S 10.260 15.207 6.242 1.00 . A A . 31 CYS SG 1 1 5 2222 1 1 32 ASN C C 14.122 16.317 1.395 1.00 . A A . 32 ASN C 1 1 5 2223 1 1 32 ASN CA C 14.678 16.524 2.801 1.00 . A A . 32 ASN CA 1 1 5 2224 1 1 32 ASN CB C 16.171 16.191 2.824 1.00 . A A . 32 ASN CB 1 1 5 2225 1 1 32 ASN CG C 16.463 14.801 2.294 1.00 . A A . 32 ASN CG 1 1 5 2226 1 1 32 ASN H H 13.566 14.854 3.477 1.00 . A A . 32 ASN H 1 1 5 2227 1 1 32 ASN HA H 14.544 17.558 3.080 1.00 . A A . 32 ASN HA 1 1 5 2228 1 1 32 ASN HB2 H 16.703 16.907 2.213 1.00 . A A . 32 ASN HB2 1 1 5 2229 1 1 32 ASN HB3 H 16.532 16.253 3.840 1.00 . A A . 32 ASN HB3 1 1 5 2230 1 1 32 ASN HD21 H 17.982 14.609 3.563 1.00 . A A . 32 ASN HD21 1 1 5 2231 1 1 32 ASN HD22 H 17.693 13.256 2.527 1.00 . A A . 32 ASN HD22 1 1 5 2232 1 1 32 ASN N N 13.962 15.702 3.769 1.00 . A A . 32 ASN N 1 1 5 2233 1 1 32 ASN ND2 N 17.482 14.157 2.851 1.00 . A A . 32 ASN ND2 1 1 5 2234 1 1 32 ASN O O 12.957 16.611 1.129 1.00 . A A . 32 ASN O 1 1 5 2235 1 1 32 ASN OD1 O 15.779 14.311 1.395 1.00 . A A . 32 ASN OD1 1 1 6 2236 1 1 1 2KT C1 C -3.297 3.997 21.550 1.00 . A A . 1 2KT C1 1 1 6 2237 1 1 1 2KT C2 C -4.413 3.600 22.176 1.00 . A A . 1 2KT C2 1 1 6 2238 1 1 1 2KT C3 C -4.553 3.813 23.423 1.00 . A A . 1 2KT C3 1 1 6 2239 1 1 1 2KT C4 C -4.589 2.742 24.141 1.00 . A A . 1 2KT C4 1 1 6 2240 1 1 1 2KT H31 H -5.402 4.211 23.770 1.00 . A A . 1 2KT H31 1 1 6 2241 1 1 1 2KT H32 H -3.923 4.426 23.899 1.00 . A A . 1 2KT H32 1 1 6 2242 1 1 1 2KT H41 H -5.165 1.973 23.863 1.00 . A A . 1 2KT H41 1 1 6 2243 1 1 1 2KT H42 H -3.752 2.220 24.303 1.00 . A A . 1 2KT H42 1 1 6 2244 1 1 1 2KT H43 H -4.893 2.789 25.093 1.00 . A A . 1 2KT H43 1 1 6 2245 1 1 1 2KT O1 O -2.416 4.532 22.224 1.00 . A A . 1 2KT O1 1 1 6 2246 1 1 1 2KT O3 O -5.287 3.029 21.520 1.00 . A A . 1 2KT O3 1 1 6 2247 1 1 2 ILE C C -1.963 5.728 19.324 1.00 . A A . 2 ILE C 1 1 6 2248 1 1 2 ILE CA C -2.001 4.214 19.503 1.00 . A A . 2 ILE CA 1 1 6 2249 1 1 2 ILE CB C -1.937 3.544 18.118 1.00 . A A . 2 ILE CB 1 1 6 2250 1 1 2 ILE CD1 C -0.729 1.379 18.695 1.00 . A A . 2 ILE CD1 1 1 6 2251 1 1 2 ILE CG1 C -2.027 2.023 18.259 1.00 . A A . 2 ILE CG1 1 1 6 2252 1 1 2 ILE CG2 C -0.657 3.939 17.397 1.00 . A A . 2 ILE CG2 1 1 6 2253 1 1 2 ILE H H -3.925 3.370 19.758 1.00 . A A . 2 ILE H 1 1 6 2254 1 1 2 ILE HA H -1.134 3.908 20.070 1.00 . A A . 2 ILE HA 1 1 6 2255 1 1 2 ILE HB H -2.774 3.894 17.534 1.00 . A A . 2 ILE HB 1 1 6 2256 1 1 2 ILE HD11 H -0.011 2.147 18.942 1.00 . A A . 2 ILE HD11 1 1 6 2257 1 1 2 ILE HD12 H -0.906 0.761 19.563 1.00 . A A . 2 ILE HD12 1 1 6 2258 1 1 2 ILE HD13 H -0.342 0.770 17.892 1.00 . A A . 2 ILE HD13 1 1 6 2259 1 1 2 ILE HG12 H -2.779 1.779 18.992 1.00 . A A . 2 ILE HG12 1 1 6 2260 1 1 2 ILE HG13 H -2.307 1.596 17.307 1.00 . A A . 2 ILE HG13 1 1 6 2261 1 1 2 ILE HG21 H -0.885 4.670 16.634 1.00 . A A . 2 ILE HG21 1 1 6 2262 1 1 2 ILE HG22 H 0.038 4.364 18.105 1.00 . A A . 2 ILE HG22 1 1 6 2263 1 1 2 ILE HG23 H -0.217 3.066 16.939 1.00 . A A . 2 ILE HG23 1 1 6 2264 1 1 2 ILE N N -3.189 3.802 20.240 1.00 . A A . 2 ILE N 1 1 6 2265 1 1 2 ILE O O -2.864 6.313 18.721 1.00 . A A . 2 ILE O 1 1 6 2266 1 1 3 . C C -0.437 8.388 21.114 1.00 . A A . 3 DBB C 1 1 6 2267 1 1 3 . CA C -0.763 7.794 19.756 1.00 . A A . 3 DBB CA 1 1 6 2268 1 1 3 . CB C 0.348 8.163 18.751 1.00 . A A . 3 DBB CB 1 1 6 2269 1 1 3 . CG C 0.084 7.426 17.437 1.00 . A A . 3 DBB CG 1 1 6 2270 1 1 3 . H H -0.234 5.823 20.319 1.00 . A A . 3 DBB H 1 1 6 2271 1 1 3 . HA H -1.694 8.213 19.404 1.00 . A A . 3 DBB HA 1 1 6 2272 1 1 3 . HB3 H 1.281 7.794 19.160 1.00 . A A . 3 DBB HB3 1 1 6 2273 1 1 3 . HG1 H -0.901 7.677 17.078 1.00 . A A . 3 DBB HG1 1 1 6 2274 1 1 3 . HG2 H 0.152 6.362 17.601 1.00 . A A . 3 DBB HG2 1 1 6 2275 1 1 3 . HG3 H 0.822 7.730 16.708 1.00 . A A . 3 DBB HG3 1 1 6 2276 1 1 3 . N N -0.921 6.352 19.848 1.00 . A A . 3 DBB N 1 1 6 2277 1 1 3 . O O 0.450 9.233 21.234 1.00 . A A . 3 DBB O 1 1 6 2278 1 1 4 LEU C C 0.489 8.859 23.711 1.00 . A A . 4 LEU C 1 1 6 2279 1 1 4 LEU CA C -0.968 8.467 23.488 1.00 . A A . 4 LEU CA 1 1 6 2280 1 1 4 LEU CB C -1.388 7.416 24.517 1.00 . A A . 4 LEU CB 1 1 6 2281 1 1 4 LEU CD1 C -3.703 7.266 23.567 1.00 . A A . 4 LEU CD1 1 1 6 2282 1 1 4 LEU CD2 C -3.180 6.175 25.756 1.00 . A A . 4 LEU CD2 1 1 6 2283 1 1 4 LEU CG C -2.881 7.355 24.843 1.00 . A A . 4 LEU CG 1 1 6 2284 1 1 4 LEU H H -1.861 7.283 21.978 1.00 . A A . 4 LEU H 1 1 6 2285 1 1 4 LEU HA H -1.587 9.344 23.607 1.00 . A A . 4 LEU HA 1 1 6 2286 1 1 4 LEU HB2 H -1.093 6.449 24.141 1.00 . A A . 4 LEU HB2 1 1 6 2287 1 1 4 LEU HB3 H -0.856 7.622 25.435 1.00 . A A . 4 LEU HB3 1 1 6 2288 1 1 4 LEU HD11 H -4.754 7.304 23.812 1.00 . A A . 4 LEU HD11 1 1 6 2289 1 1 4 LEU HD12 H -3.484 6.337 23.062 1.00 . A A . 4 LEU HD12 1 1 6 2290 1 1 4 LEU HD13 H -3.454 8.094 22.920 1.00 . A A . 4 LEU HD13 1 1 6 2291 1 1 4 LEU HD21 H -2.850 6.403 26.758 1.00 . A A . 4 LEU HD21 1 1 6 2292 1 1 4 LEU HD22 H -2.659 5.300 25.395 1.00 . A A . 4 LEU HD22 1 1 6 2293 1 1 4 LEU HD23 H -4.243 5.984 25.760 1.00 . A A . 4 LEU HD23 1 1 6 2294 1 1 4 LEU HG H -3.167 8.260 25.361 1.00 . A A . 4 LEU HG 1 1 6 2295 1 1 4 LEU N N -1.169 7.958 22.136 1.00 . A A . 4 LEU N 1 1 6 2296 1 1 4 LEU O O 1.394 8.086 23.383 1.00 . A A . 4 LEU O 1 1 6 2297 1 1 5 DHA C C 2.396 11.737 23.976 1.00 . A A . 5 DHA C 1 1 6 2298 1 1 5 DHA CA C 1.967 10.505 24.517 1.00 . A A . 5 DHA CA 1 1 6 2299 1 1 5 DHA CB C 2.789 9.797 25.301 1.00 . A A . 5 DHA CB 1 1 6 2300 1 1 5 DHA H H -0.100 10.570 24.481 1.00 . A A . 5 DHA H 1 1 6 2301 1 1 5 DHA HB1 H 2.460 8.859 25.724 1.00 . A A . 5 DHA HB1 1 1 6 2302 1 1 5 DHA HB2 H 3.766 10.176 25.537 1.00 . A A . 5 DHA HB2 1 1 6 2303 1 1 5 DHA N N 0.698 10.051 24.266 1.00 . A A . 5 DHA N 1 1 6 2304 1 1 5 DHA O O 2.004 12.811 24.444 1.00 . A A . 5 DHA O 1 1 6 2305 1 1 6 DBU C C 3.138 13.055 20.839 1.00 . A A . 6 DBU C 1 1 6 2306 1 1 6 DBU CA C 3.573 12.790 22.270 1.00 . A A . 6 DBU CA 1 1 6 2307 1 1 6 DBU CB C 4.352 13.675 22.911 1.00 . A A . 6 DBU CB 1 1 6 2308 1 1 6 DBU CG C 4.765 13.391 24.326 1.00 . A A . 6 DBU CG 1 1 6 2309 1 1 6 DBU H1 H 3.417 10.748 22.606 1.00 . A A . 6 DBU H1 1 1 6 2310 1 1 6 DBU HB1 H 4.679 14.574 22.408 1.00 . A A . 6 DBU HB1 1 1 6 2311 1 1 6 DBU HG1 H 3.994 13.729 25.000 1.00 . A A . 6 DBU HG1 1 1 6 2312 1 1 6 DBU HG2 H 5.680 13.914 24.547 1.00 . A A . 6 DBU HG2 1 1 6 2313 1 1 6 DBU HG3 H 4.914 12.327 24.444 1.00 . A A . 6 DBU HG3 1 1 6 2314 1 1 6 DBU N N 3.161 11.651 22.895 1.00 . A A . 6 DBU N 1 1 6 2315 1 1 6 DBU O O 3.145 14.193 20.369 1.00 . A A . 6 DBU O 1 1 6 2316 1 1 7 CYS C C 1.098 12.898 18.602 1.00 . A A . 7 CYS C 1 1 6 2317 1 1 7 CYS CA C 2.383 12.085 18.738 1.00 . A A . 7 CYS CA 1 1 6 2318 1 1 7 CYS CB C 2.182 10.691 18.141 1.00 . A A . 7 CYS CB 1 1 6 2319 1 1 7 CYS H H 2.802 11.102 20.565 1.00 . A A . 7 CYS H 1 1 6 2320 1 1 7 CYS HA H 3.171 12.587 18.199 1.00 . A A . 7 CYS HA 1 1 6 2321 1 1 7 CYS HB2 H 2.290 10.748 17.068 1.00 . A A . 7 CYS HB2 1 1 6 2322 1 1 7 CYS HB3 H 2.934 10.025 18.539 1.00 . A A . 7 CYS HB3 1 1 6 2323 1 1 7 CYS N N 2.788 11.983 20.135 1.00 . A A . 7 CYS N 1 1 6 2324 1 1 7 CYS O O 0.784 13.404 17.525 1.00 . A A . 7 CYS O 1 1 6 2325 1 1 7 CYS SG S 0.551 9.959 18.493 1.00 . A A . 7 CYS SG 1 1 6 2326 1 1 8 ALA C C -0.669 15.191 20.220 1.00 . A A . 8 ALA C 1 1 6 2327 1 1 8 ALA CA C -0.886 13.772 19.706 1.00 . A A . 8 ALA CA 1 1 6 2328 1 1 8 ALA CB C -1.931 13.057 20.549 1.00 . A A . 8 ALA CB 1 1 6 2329 1 1 8 ALA H H 0.665 12.592 20.529 1.00 . A A . 8 ALA H 1 1 6 2330 1 1 8 ALA HA H -1.251 13.819 18.690 1.00 . A A . 8 ALA HA 1 1 6 2331 1 1 8 ALA HB1 H -1.880 13.418 21.566 1.00 . A A . 8 ALA HB1 1 1 6 2332 1 1 8 ALA HB2 H -2.914 13.251 20.146 1.00 . A A . 8 ALA HB2 1 1 6 2333 1 1 8 ALA HB3 H -1.740 11.994 20.535 1.00 . A A . 8 ALA HB3 1 1 6 2334 1 1 8 ALA N N 0.362 13.019 19.701 1.00 . A A . 8 ALA N 1 1 6 2335 1 1 8 ALA O O -1.585 16.014 20.204 1.00 . A A . 8 ALA O 1 1 6 2336 1 1 9 ILE C C 1.551 17.648 20.124 1.00 . A A . 9 ILE C 1 1 6 2337 1 1 9 ILE CA C 0.883 16.791 21.194 1.00 . A A . 9 ILE CA 1 1 6 2338 1 1 9 ILE CB C 1.817 16.695 22.415 1.00 . A A . 9 ILE CB 1 1 6 2339 1 1 9 ILE CD1 C 1.864 15.901 24.833 1.00 . A A . 9 ILE CD1 1 1 6 2340 1 1 9 ILE CG1 C 1.214 15.769 23.474 1.00 . A A . 9 ILE CG1 1 1 6 2341 1 1 9 ILE CG2 C 2.071 18.078 22.997 1.00 . A A . 9 ILE CG2 1 1 6 2342 1 1 9 ILE H H 1.234 14.773 20.663 1.00 . A A . 9 ILE H 1 1 6 2343 1 1 9 ILE HA H -0.034 17.270 21.504 1.00 . A A . 9 ILE HA 1 1 6 2344 1 1 9 ILE HB H 2.761 16.289 22.087 1.00 . A A . 9 ILE HB 1 1 6 2345 1 1 9 ILE HD11 H 1.831 16.934 25.149 1.00 . A A . 9 ILE HD11 1 1 6 2346 1 1 9 ILE HD12 H 1.333 15.290 25.548 1.00 . A A . 9 ILE HD12 1 1 6 2347 1 1 9 ILE HD13 H 2.892 15.576 24.774 1.00 . A A . 9 ILE HD13 1 1 6 2348 1 1 9 ILE HG12 H 0.165 15.993 23.585 1.00 . A A . 9 ILE HG12 1 1 6 2349 1 1 9 ILE HG13 H 1.326 14.744 23.150 1.00 . A A . 9 ILE HG13 1 1 6 2350 1 1 9 ILE HG21 H 2.958 18.051 23.613 1.00 . A A . 9 ILE HG21 1 1 6 2351 1 1 9 ILE HG22 H 2.213 18.785 22.194 1.00 . A A . 9 ILE HG22 1 1 6 2352 1 1 9 ILE HG23 H 1.225 18.378 23.596 1.00 . A A . 9 ILE HG23 1 1 6 2353 1 1 9 ILE N N 0.547 15.470 20.676 1.00 . A A . 9 ILE N 1 1 6 2354 1 1 9 ILE O O 1.181 18.805 19.920 1.00 . A A . 9 ILE O 1 1 6 2355 1 1 10 LEU C C 2.679 17.448 17.016 1.00 . A A . 10 LEU C 1 1 6 2356 1 1 10 LEU CA C 3.253 17.782 18.389 1.00 . A A . 10 LEU CA 1 1 6 2357 1 1 10 LEU CB C 4.741 17.429 18.433 1.00 . A A . 10 LEU CB 1 1 6 2358 1 1 10 LEU CD1 C 5.312 19.868 18.332 1.00 . A A . 10 LEU CD1 1 1 6 2359 1 1 10 LEU CD2 C 7.133 18.155 18.244 1.00 . A A . 10 LEU CD2 1 1 6 2360 1 1 10 LEU CG C 5.696 18.475 17.857 1.00 . A A . 10 LEU CG 1 1 6 2361 1 1 10 LEU H H 2.783 16.148 19.649 1.00 . A A . 10 LEU H 1 1 6 2362 1 1 10 LEU HA H 3.137 18.841 18.566 1.00 . A A . 10 LEU HA 1 1 6 2363 1 1 10 LEU HB2 H 5.012 17.266 19.465 1.00 . A A . 10 LEU HB2 1 1 6 2364 1 1 10 LEU HB3 H 4.878 16.512 17.877 1.00 . A A . 10 LEU HB3 1 1 6 2365 1 1 10 LEU HD11 H 4.813 19.798 19.287 1.00 . A A . 10 LEU HD11 1 1 6 2366 1 1 10 LEU HD12 H 4.648 20.323 17.611 1.00 . A A . 10 LEU HD12 1 1 6 2367 1 1 10 LEU HD13 H 6.202 20.472 18.433 1.00 . A A . 10 LEU HD13 1 1 6 2368 1 1 10 LEU HD21 H 7.704 19.070 18.296 1.00 . A A . 10 LEU HD21 1 1 6 2369 1 1 10 LEU HD22 H 7.567 17.500 17.503 1.00 . A A . 10 LEU HD22 1 1 6 2370 1 1 10 LEU HD23 H 7.146 17.666 19.207 1.00 . A A . 10 LEU HD23 1 1 6 2371 1 1 10 LEU HG H 5.628 18.460 16.778 1.00 . A A . 10 LEU HG 1 1 6 2372 1 1 10 LEU N N 2.534 17.072 19.441 1.00 . A A . 10 LEU N 1 1 6 2373 1 1 10 LEU O O 3.334 17.639 15.990 1.00 . A A . 10 LEU O 1 1 6 2374 1 1 11 DAL C C 0.533 17.817 14.890 1.00 . A A . 11 DAL C 1 1 6 2375 1 1 11 DAL CA C 0.795 16.586 15.757 1.00 . A A . 11 DAL CA 1 1 6 2376 1 1 11 DAL CB C 1.652 15.587 14.986 1.00 . A A . 11 DAL CB 1 1 6 2377 1 1 11 DAL H H 0.975 16.817 17.849 1.00 . A A . 11 DAL H 1 1 6 2378 1 1 11 DAL HA H -0.147 16.122 16.004 1.00 . A A . 11 DAL HA 1 1 6 2379 1 1 11 DAL HB2 H 1.921 14.776 15.646 1.00 . A A . 11 DAL HB2 1 1 6 2380 1 1 11 DAL HB3 H 2.555 16.084 14.649 1.00 . A A . 11 DAL HB3 1 1 6 2381 1 1 11 DAL N N 1.454 16.950 17.001 1.00 . A A . 11 DAL N 1 1 6 2382 1 1 11 DAL O O 0.963 17.887 13.739 1.00 . A A . 11 DAL O 1 1 6 2383 1 1 12 LYS C C -0.724 19.737 13.255 1.00 . A A . 12 LYS C 1 1 6 2384 1 1 12 LYS CA C -0.507 20.013 14.739 1.00 . A A . 12 LYS CA 1 1 6 2385 1 1 12 LYS CB C 0.610 21.044 14.919 1.00 . A A . 12 LYS CB 1 1 6 2386 1 1 12 LYS CD C 3.056 21.557 14.670 1.00 . A A . 12 LYS CD 1 1 6 2387 1 1 12 LYS CE C 2.776 22.507 13.516 1.00 . A A . 12 LYS CE 1 1 6 2388 1 1 12 LYS CG C 2.005 20.464 14.759 1.00 . A A . 12 LYS CG 1 1 6 2389 1 1 12 LYS H H -0.496 18.671 16.377 1.00 . A A . 12 LYS H 1 1 6 2390 1 1 12 LYS HA H -1.420 20.408 15.157 1.00 . A A . 12 LYS HA 1 1 6 2391 1 1 12 LYS HB2 H 0.482 21.827 14.185 1.00 . A A . 12 LYS HB2 1 1 6 2392 1 1 12 LYS HB3 H 0.532 21.473 15.907 1.00 . A A . 12 LYS HB3 1 1 6 2393 1 1 12 LYS HD2 H 3.058 22.119 15.592 1.00 . A A . 12 LYS HD2 1 1 6 2394 1 1 12 LYS HD3 H 4.025 21.101 14.522 1.00 . A A . 12 LYS HD3 1 1 6 2395 1 1 12 LYS HE2 H 2.370 21.942 12.691 1.00 . A A . 12 LYS HE2 1 1 6 2396 1 1 12 LYS HE3 H 2.053 23.241 13.839 1.00 . A A . 12 LYS HE3 1 1 6 2397 1 1 12 LYS HG2 H 2.224 19.837 15.611 1.00 . A A . 12 LYS HG2 1 1 6 2398 1 1 12 LYS HG3 H 2.037 19.871 13.856 1.00 . A A . 12 LYS HG3 1 1 6 2399 1 1 12 LYS HZ1 H 3.794 23.818 12.248 1.00 . A A . 12 LYS HZ1 1 1 6 2400 1 1 12 LYS HZ2 H 4.731 22.515 12.782 1.00 . A A . 12 LYS HZ2 1 1 6 2401 1 1 12 LYS HZ3 H 4.389 23.796 13.831 1.00 . A A . 12 LYS HZ3 1 1 6 2402 1 1 12 LYS N N -0.181 18.785 15.455 1.00 . A A . 12 LYS N 1 1 6 2403 1 1 12 LYS NZ N 4.009 23.209 13.062 1.00 . A A . 12 LYS NZ 1 1 6 2404 1 1 12 LYS O O 0.160 19.944 12.424 1.00 . A A . 12 LYS O 1 1 6 2405 1 1 13 PRO C C -2.435 20.197 10.668 1.00 . A A . 13 PRO C 1 1 6 2406 1 1 13 PRO CA C -2.292 18.945 11.526 1.00 . A A . 13 PRO CA 1 1 6 2407 1 1 13 PRO CB C -3.640 18.234 11.664 1.00 . A A . 13 PRO CB 1 1 6 2408 1 1 13 PRO CD C -3.032 18.987 13.850 1.00 . A A . 13 PRO CD 1 1 6 2409 1 1 13 PRO CG C -4.207 18.742 12.945 1.00 . A A . 13 PRO CG 1 1 6 2410 1 1 13 PRO HA H -1.575 18.278 11.070 1.00 . A A . 13 PRO HA 1 1 6 2411 1 1 13 PRO HB2 H -4.271 18.487 10.824 1.00 . A A . 13 PRO HB2 1 1 6 2412 1 1 13 PRO HB3 H -3.486 17.166 11.697 1.00 . A A . 13 PRO HB3 1 1 6 2413 1 1 13 PRO HD2 H -3.216 19.840 14.486 1.00 . A A . 13 PRO HD2 1 1 6 2414 1 1 13 PRO HD3 H -2.824 18.109 14.444 1.00 . A A . 13 PRO HD3 1 1 6 2415 1 1 13 PRO HG2 H -4.744 19.661 12.769 1.00 . A A . 13 PRO HG2 1 1 6 2416 1 1 13 PRO HG3 H -4.863 17.999 13.375 1.00 . A A . 13 PRO HG3 1 1 6 2417 1 1 13 PRO N N -1.930 19.258 12.912 1.00 . A A . 13 PRO N 1 1 6 2418 1 1 13 PRO O O -2.785 21.268 11.167 1.00 . A A . 13 PRO O 1 1 6 2419 1 1 14 LEU C C -3.721 21.468 8.099 1.00 . A A . 14 LEU C 1 1 6 2420 1 1 14 LEU CA C -2.264 21.177 8.446 1.00 . A A . 14 LEU CA 1 1 6 2421 1 1 14 LEU CB C -1.474 20.879 7.171 1.00 . A A . 14 LEU CB 1 1 6 2422 1 1 14 LEU CD1 C -1.373 19.381 5.163 1.00 . A A . 14 LEU CD1 1 1 6 2423 1 1 14 LEU CD2 C -0.428 18.608 7.346 1.00 . A A . 14 LEU CD2 1 1 6 2424 1 1 14 LEU CG C -1.517 19.433 6.676 1.00 . A A . 14 LEU CG 1 1 6 2425 1 1 14 LEU H H -1.891 19.179 9.036 1.00 . A A . 14 LEU H 1 1 6 2426 1 1 14 LEU HA H -1.841 22.045 8.928 1.00 . A A . 14 LEU HA 1 1 6 2427 1 1 14 LEU HB2 H -1.864 21.508 6.386 1.00 . A A . 14 LEU HB2 1 1 6 2428 1 1 14 LEU HB3 H -0.441 21.136 7.356 1.00 . A A . 14 LEU HB3 1 1 6 2429 1 1 14 LEU HD11 H -0.760 18.536 4.889 1.00 . A A . 14 LEU HD11 1 1 6 2430 1 1 14 LEU HD12 H -0.907 20.292 4.815 1.00 . A A . 14 LEU HD12 1 1 6 2431 1 1 14 LEU HD13 H -2.349 19.281 4.712 1.00 . A A . 14 LEU HD13 1 1 6 2432 1 1 14 LEU HD21 H -0.844 17.673 7.690 1.00 . A A . 14 LEU HD21 1 1 6 2433 1 1 14 LEU HD22 H -0.028 19.155 8.187 1.00 . A A . 14 LEU HD22 1 1 6 2434 1 1 14 LEU HD23 H 0.363 18.411 6.636 1.00 . A A . 14 LEU HD23 1 1 6 2435 1 1 14 LEU HG H -2.473 18.999 6.935 1.00 . A A . 14 LEU HG 1 1 6 2436 1 1 14 LEU N N -2.165 20.056 9.375 1.00 . A A . 14 LEU N 1 1 6 2437 1 1 14 LEU O O -4.636 20.860 8.653 1.00 . A A . 14 LEU O 1 1 6 2438 1 1 15 GLY C C -5.980 21.623 6.048 1.00 . A A . 15 GLY C 1 1 6 2439 1 1 15 GLY CA C -5.276 22.756 6.768 1.00 . A A . 15 GLY CA 1 1 6 2440 1 1 15 GLY H H -3.161 22.853 6.766 1.00 . A A . 15 GLY H 1 1 6 2441 1 1 15 GLY HA2 H -5.847 23.021 7.645 1.00 . A A . 15 GLY HA2 1 1 6 2442 1 1 15 GLY HA3 H -5.227 23.610 6.109 1.00 . A A . 15 GLY HA3 1 1 6 2443 1 1 15 GLY N N -3.929 22.401 7.175 1.00 . A A . 15 GLY N 1 1 6 2444 1 1 15 GLY O O -6.392 20.644 6.669 1.00 . A A . 15 GLY O 1 1 6 2445 1 1 16 ASN C C -6.136 19.372 4.138 1.00 . A A . 16 ASN C 1 1 6 2446 1 1 16 ASN CA C -6.783 20.737 3.927 1.00 . A A . 16 ASN CA 1 1 6 2447 1 1 16 ASN CB C -6.732 21.115 2.446 1.00 . A A . 16 ASN CB 1 1 6 2448 1 1 16 ASN CG C -5.382 20.819 1.820 1.00 . A A . 16 ASN CG 1 1 6 2449 1 1 16 ASN H H -5.772 22.560 4.293 1.00 . A A . 16 ASN H 1 1 6 2450 1 1 16 ASN HA H -7.815 20.686 4.241 1.00 . A A . 16 ASN HA 1 1 6 2451 1 1 16 ASN HB2 H -7.485 20.554 1.911 1.00 . A A . 16 ASN HB2 1 1 6 2452 1 1 16 ASN HB3 H -6.933 22.170 2.342 1.00 . A A . 16 ASN HB3 1 1 6 2453 1 1 16 ASN HD21 H -6.190 19.395 0.691 1.00 . A A . 16 ASN HD21 1 1 6 2454 1 1 16 ASN HD22 H -4.492 19.643 0.487 1.00 . A A . 16 ASN HD22 1 1 6 2455 1 1 16 ASN N N -6.121 21.757 4.733 1.00 . A A . 16 ASN N 1 1 6 2456 1 1 16 ASN ND2 N -5.352 19.855 0.907 1.00 . A A . 16 ASN ND2 1 1 6 2457 1 1 16 ASN O O -5.356 19.181 5.071 1.00 . A A . 16 ASN O 1 1 6 2458 1 1 16 ASN OD1 O -4.379 21.450 2.154 1.00 . A A . 16 ASN OD1 1 1 6 2459 1 1 17 ASN C C -6.065 16.523 4.768 1.00 . A A . 17 ASN C 1 1 6 2460 1 1 17 ASN CA C -5.915 17.078 3.355 1.00 . A A . 17 ASN CA 1 1 6 2461 1 1 17 ASN CB C -4.440 17.078 2.949 1.00 . A A . 17 ASN CB 1 1 6 2462 1 1 17 ASN CG C -3.644 16.000 3.660 1.00 . A A . 17 ASN CG 1 1 6 2463 1 1 17 ASN H H -7.091 18.639 2.542 1.00 . A A . 17 ASN H 1 1 6 2464 1 1 17 ASN HA H -6.467 16.449 2.673 1.00 . A A . 17 ASN HA 1 1 6 2465 1 1 17 ASN HB2 H -4.365 16.909 1.885 1.00 . A A . 17 ASN HB2 1 1 6 2466 1 1 17 ASN HB3 H -4.006 18.037 3.189 1.00 . A A . 17 ASN HB3 1 1 6 2467 1 1 17 ASN HD21 H -2.153 17.276 3.979 1.00 . A A . 17 ASN HD21 1 1 6 2468 1 1 17 ASN HD22 H -1.915 15.676 4.585 1.00 . A A . 17 ASN HD22 1 1 6 2469 1 1 17 ASN N N -6.464 18.426 3.265 1.00 . A A . 17 ASN N 1 1 6 2470 1 1 17 ASN ND2 N -2.450 16.353 4.121 1.00 . A A . 17 ASN ND2 1 1 6 2471 1 1 17 ASN O O -7.029 15.821 5.071 1.00 . A A . 17 ASN O 1 1 6 2472 1 1 17 ASN OD1 O -4.099 14.864 3.794 1.00 . A A . 17 ASN OD1 1 1 6 2473 1 1 18 GLY C C -4.619 14.955 7.142 1.00 . A A . 18 GLY C 1 1 6 2474 1 1 18 GLY CA C -5.148 16.368 7.000 1.00 . A A . 18 GLY CA 1 1 6 2475 1 1 18 GLY H H -4.359 17.406 5.331 1.00 . A A . 18 GLY H 1 1 6 2476 1 1 18 GLY HA2 H -4.556 17.027 7.617 1.00 . A A . 18 GLY HA2 1 1 6 2477 1 1 18 GLY HA3 H -6.172 16.393 7.345 1.00 . A A . 18 GLY HA3 1 1 6 2478 1 1 18 GLY N N -5.104 16.843 5.629 1.00 . A A . 18 GLY N 1 1 6 2479 1 1 18 GLY O O -5.121 14.175 7.952 1.00 . A A . 18 GLY O 1 1 6 2480 1 1 19 TYR C C -2.489 12.968 7.787 1.00 . A A . 19 TYR C 1 1 6 2481 1 1 19 TYR CA C -3.009 13.293 6.390 1.00 . A A . 19 TYR CA 1 1 6 2482 1 1 19 TYR CB C -1.871 13.191 5.373 1.00 . A A . 19 TYR CB 1 1 6 2483 1 1 19 TYR CD1 C -2.551 11.094 4.140 1.00 . A A . 19 TYR CD1 1 1 6 2484 1 1 19 TYR CD2 C -0.418 11.132 5.204 1.00 . A A . 19 TYR CD2 1 1 6 2485 1 1 19 TYR CE1 C -2.316 9.804 3.704 1.00 . A A . 19 TYR CE1 1 1 6 2486 1 1 19 TYR CE2 C -0.174 9.843 4.771 1.00 . A A . 19 TYR CE2 1 1 6 2487 1 1 19 TYR CG C -1.609 11.780 4.897 1.00 . A A . 19 TYR CG 1 1 6 2488 1 1 19 TYR CZ C -1.126 9.184 4.022 1.00 . A A . 19 TYR CZ 1 1 6 2489 1 1 19 TYR H H -3.248 15.288 5.726 1.00 . A A . 19 TYR H 1 1 6 2490 1 1 19 TYR HA H -3.777 12.579 6.129 1.00 . A A . 19 TYR HA 1 1 6 2491 1 1 19 TYR HB2 H -2.114 13.791 4.510 1.00 . A A . 19 TYR HB2 1 1 6 2492 1 1 19 TYR HB3 H -0.962 13.564 5.821 1.00 . A A . 19 TYR HB3 1 1 6 2493 1 1 19 TYR HD1 H -3.482 11.584 3.893 1.00 . A A . 19 TYR HD1 1 1 6 2494 1 1 19 TYR HD2 H 0.325 11.652 5.791 1.00 . A A . 19 TYR HD2 1 1 6 2495 1 1 19 TYR HE1 H -3.061 9.288 3.118 1.00 . A A . 19 TYR HE1 1 1 6 2496 1 1 19 TYR HE2 H 0.758 9.356 5.019 1.00 . A A . 19 TYR HE2 1 1 6 2497 1 1 19 TYR HH H -0.022 7.858 3.174 1.00 . A A . 19 TYR HH 1 1 6 2498 1 1 19 TYR N N -3.604 14.623 6.352 1.00 . A A . 19 TYR N 1 1 6 2499 1 1 19 TYR O O -2.675 13.742 8.727 1.00 . A A . 19 TYR O 1 1 6 2500 1 1 19 TYR OH O -0.887 7.900 3.588 1.00 . A A . 19 TYR OH 1 1 6 2501 1 1 20 LEU C C -0.212 12.362 9.681 1.00 . A A . 20 LEU C 1 1 6 2502 1 1 20 LEU CA C -1.284 11.391 9.197 1.00 . A A . 20 LEU CA 1 1 6 2503 1 1 20 LEU CB C -0.698 9.983 9.077 1.00 . A A . 20 LEU CB 1 1 6 2504 1 1 20 LEU CD1 C -2.360 8.625 10.372 1.00 . A A . 20 LEU CD1 1 1 6 2505 1 1 20 LEU CD2 C -2.765 9.116 7.953 1.00 . A A . 20 LEU CD2 1 1 6 2506 1 1 20 LEU CG C -1.710 8.838 9.014 1.00 . A A . 20 LEU CG 1 1 6 2507 1 1 20 LEU H H -1.717 11.245 7.130 1.00 . A A . 20 LEU H 1 1 6 2508 1 1 20 LEU HA H -2.091 11.377 9.915 1.00 . A A . 20 LEU HA 1 1 6 2509 1 1 20 LEU HB2 H -0.103 9.948 8.178 1.00 . A A . 20 LEU HB2 1 1 6 2510 1 1 20 LEU HB3 H -0.062 9.817 9.935 1.00 . A A . 20 LEU HB3 1 1 6 2511 1 1 20 LEU HD11 H -3.298 8.106 10.244 1.00 . A A . 20 LEU HD11 1 1 6 2512 1 1 20 LEU HD12 H -2.538 9.582 10.840 1.00 . A A . 20 LEU HD12 1 1 6 2513 1 1 20 LEU HD13 H -1.704 8.036 10.997 1.00 . A A . 20 LEU HD13 1 1 6 2514 1 1 20 LEU HD21 H -3.257 10.052 8.172 1.00 . A A . 20 LEU HD21 1 1 6 2515 1 1 20 LEU HD22 H -3.492 8.318 7.951 1.00 . A A . 20 LEU HD22 1 1 6 2516 1 1 20 LEU HD23 H -2.293 9.176 6.983 1.00 . A A . 20 LEU HD23 1 1 6 2517 1 1 20 LEU HG H -1.195 7.926 8.744 1.00 . A A . 20 LEU HG 1 1 6 2518 1 1 20 LEU N N -1.834 11.820 7.915 1.00 . A A . 20 LEU N 1 1 6 2519 1 1 20 LEU O O 0.193 13.269 8.954 1.00 . A A . 20 LEU O 1 1 6 2520 1 1 21 CYS C C 2.665 12.453 11.231 1.00 . A A . 21 CYS C 1 1 6 2521 1 1 21 CYS CA C 1.273 13.018 11.494 1.00 . A A . 21 CYS CA 1 1 6 2522 1 1 21 CYS CB C 1.048 13.169 13.000 1.00 . A A . 21 CYS CB 1 1 6 2523 1 1 21 CYS H H -0.116 11.422 11.444 1.00 . A A . 21 CYS H 1 1 6 2524 1 1 21 CYS HA H 1.198 13.990 11.029 1.00 . A A . 21 CYS HA 1 1 6 2525 1 1 21 CYS HB2 H 0.162 12.617 13.281 1.00 . A A . 21 CYS HB2 1 1 6 2526 1 1 21 CYS HB3 H 1.900 12.763 13.526 1.00 . A A . 21 CYS HB3 1 1 6 2527 1 1 21 CYS N N 0.246 12.163 10.912 1.00 . A A . 21 CYS N 1 1 6 2528 1 1 21 CYS O O 2.833 11.554 10.406 1.00 . A A . 21 CYS O 1 1 6 2529 1 1 21 CYS SG S 0.824 14.891 13.550 1.00 . A A . 21 CYS SG 1 1 6 2530 1 1 22 . C C 5.439 12.568 10.315 1.00 . A A . 22 DBB C 1 1 6 2531 1 1 22 . CA C 5.029 12.544 11.775 1.00 . A A . 22 DBB CA 1 1 6 2532 1 1 22 . CB C 5.988 13.433 12.595 1.00 . A A . 22 DBB CB 1 1 6 2533 1 1 22 . CG C 5.488 13.492 14.038 1.00 . A A . 22 DBB CG 1 1 6 2534 1 1 22 . H H 3.449 13.702 12.579 1.00 . A A . 22 DBB H 1 1 6 2535 1 1 22 . HA H 5.104 11.532 12.144 1.00 . A A . 22 DBB HA 1 1 6 2536 1 1 22 . HB3 H 5.927 14.431 12.179 1.00 . A A . 22 DBB HB3 1 1 6 2537 1 1 22 . HG1 H 4.679 12.791 14.165 1.00 . A A . 22 DBB HG1 1 1 6 2538 1 1 22 . HG2 H 5.143 14.490 14.259 1.00 . A A . 22 DBB HG2 1 1 6 2539 1 1 22 . HG3 H 6.298 13.231 14.704 1.00 . A A . 22 DBB HG3 1 1 6 2540 1 1 22 . N N 3.653 12.983 11.933 1.00 . A A . 22 DBB N 1 1 6 2541 1 1 22 . O O 6.195 11.709 9.859 1.00 . A A . 22 DBB O 1 1 6 2542 1 1 23 VAL C C 5.690 15.073 7.807 1.00 . A A . 23 VAL C 1 1 6 2543 1 1 23 VAL CA C 5.222 13.663 8.152 1.00 . A A . 23 VAL CA 1 1 6 2544 1 1 23 VAL CB C 3.996 13.315 7.288 1.00 . A A . 23 VAL CB 1 1 6 2545 1 1 23 VAL CG1 C 4.396 13.164 5.828 1.00 . A A . 23 VAL CG1 1 1 6 2546 1 1 23 VAL CG2 C 3.327 12.048 7.799 1.00 . A A . 23 VAL CG2 1 1 6 2547 1 1 23 VAL H H 4.326 14.197 9.993 1.00 . A A . 23 VAL H 1 1 6 2548 1 1 23 VAL HA H 6.012 12.965 7.917 1.00 . A A . 23 VAL HA 1 1 6 2549 1 1 23 VAL HB H 3.287 14.126 7.362 1.00 . A A . 23 VAL HB 1 1 6 2550 1 1 23 VAL HG11 H 3.747 12.446 5.350 1.00 . A A . 23 VAL HG11 1 1 6 2551 1 1 23 VAL HG12 H 4.308 14.119 5.330 1.00 . A A . 23 VAL HG12 1 1 6 2552 1 1 23 VAL HG13 H 5.418 12.820 5.769 1.00 . A A . 23 VAL HG13 1 1 6 2553 1 1 23 VAL HG21 H 2.411 12.305 8.310 1.00 . A A . 23 VAL HG21 1 1 6 2554 1 1 23 VAL HG22 H 3.105 11.398 6.966 1.00 . A A . 23 VAL HG22 1 1 6 2555 1 1 23 VAL HG23 H 3.991 11.541 8.484 1.00 . A A . 23 VAL HG23 1 1 6 2556 1 1 23 VAL N N 4.922 13.543 9.574 1.00 . A A . 23 VAL N 1 1 6 2557 1 1 23 VAL O O 5.249 16.049 8.415 1.00 . A A . 23 VAL O 1 1 6 2558 1 1 24 . C C 8.137 16.966 7.403 1.00 . A A . 24 DBB C 1 1 6 2559 1 1 24 . CA C 7.114 16.453 6.407 1.00 . A A . 24 DBB CA 1 1 6 2560 1 1 24 . CB C 7.762 16.343 5.011 1.00 . A A . 24 DBB CB 1 1 6 2561 1 1 24 . CG C 7.075 15.217 4.239 1.00 . A A . 24 DBB CG 1 1 6 2562 1 1 24 . H H 6.891 14.348 6.384 1.00 . A A . 24 DBB H 1 1 6 2563 1 1 24 . HA H 6.298 17.156 6.349 1.00 . A A . 24 DBB HA 1 1 6 2564 1 1 24 . HB3 H 8.797 16.061 5.164 1.00 . A A . 24 DBB HB3 1 1 6 2565 1 1 24 . HG1 H 7.056 15.462 3.189 1.00 . A A . 24 DBB HG1 1 1 6 2566 1 1 24 . HG2 H 6.067 15.094 4.602 1.00 . A A . 24 DBB HG2 1 1 6 2567 1 1 24 . HG3 H 7.629 14.300 4.384 1.00 . A A . 24 DBB HG3 1 1 6 2568 1 1 24 . N N 6.578 15.170 6.832 1.00 . A A . 24 DBB N 1 1 6 2569 1 1 24 . O O 8.393 16.331 8.426 1.00 . A A . 24 DBB O 1 1 6 2570 1 1 25 LYS C C 9.592 18.217 9.395 1.00 . A A . 25 LYS C 1 1 6 2571 1 1 25 LYS CA C 9.755 18.699 7.957 1.00 . A A . 25 LYS CA 1 1 6 2572 1 1 25 LYS CB C 9.673 20.226 7.907 1.00 . A A . 25 LYS CB 1 1 6 2573 1 1 25 LYS CD C 10.507 22.126 6.491 1.00 . A A . 25 LYS CD 1 1 6 2574 1 1 25 LYS CE C 10.952 23.392 7.209 1.00 . A A . 25 LYS CE 1 1 6 2575 1 1 25 LYS CG C 10.888 20.880 7.273 1.00 . A A . 25 LYS CG 1 1 6 2576 1 1 25 LYS H H 8.492 18.570 6.263 1.00 . A A . 25 LYS H 1 1 6 2577 1 1 25 LYS HA H 10.722 18.387 7.592 1.00 . A A . 25 LYS HA 1 1 6 2578 1 1 25 LYS HB2 H 8.800 20.510 7.338 1.00 . A A . 25 LYS HB2 1 1 6 2579 1 1 25 LYS HB3 H 9.573 20.603 8.915 1.00 . A A . 25 LYS HB3 1 1 6 2580 1 1 25 LYS HD2 H 10.980 22.091 5.521 1.00 . A A . 25 LYS HD2 1 1 6 2581 1 1 25 LYS HD3 H 9.433 22.150 6.370 1.00 . A A . 25 LYS HD3 1 1 6 2582 1 1 25 LYS HE2 H 11.967 23.258 7.551 1.00 . A A . 25 LYS HE2 1 1 6 2583 1 1 25 LYS HE3 H 10.913 24.217 6.513 1.00 . A A . 25 LYS HE3 1 1 6 2584 1 1 25 LYS HG2 H 11.585 21.155 8.051 1.00 . A A . 25 LYS HG2 1 1 6 2585 1 1 25 LYS HG3 H 11.356 20.174 6.601 1.00 . A A . 25 LYS HG3 1 1 6 2586 1 1 25 LYS HZ1 H 10.250 24.676 8.699 1.00 . A A . 25 LYS HZ1 1 1 6 2587 1 1 25 LYS HZ2 H 10.291 23.049 9.160 1.00 . A A . 25 LYS HZ2 1 1 6 2588 1 1 25 LYS HZ3 H 9.082 23.601 8.115 1.00 . A A . 25 LYS HZ3 1 1 6 2589 1 1 25 LYS N N 8.739 18.110 7.093 1.00 . A A . 25 LYS N 1 1 6 2590 1 1 25 LYS NZ N 10.083 23.702 8.377 1.00 . A A . 25 LYS NZ 1 1 6 2591 1 1 25 LYS O O 10.576 18.023 10.108 1.00 . A A . 25 LYS O 1 1 6 2592 1 1 26 GLU C C 8.887 16.335 11.512 1.00 . A A . 26 GLU C 1 1 6 2593 1 1 26 GLU CA C 8.055 17.567 11.166 1.00 . A A . 26 GLU CA 1 1 6 2594 1 1 26 GLU CB C 6.566 17.247 11.312 1.00 . A A . 26 GLU CB 1 1 6 2595 1 1 26 GLU CD C 4.207 18.060 10.915 1.00 . A A . 26 GLU CD 1 1 6 2596 1 1 26 GLU CG C 5.664 18.168 10.508 1.00 . A A . 26 GLU CG 1 1 6 2597 1 1 26 GLU H H 7.602 18.199 9.197 1.00 . A A . 26 GLU H 1 1 6 2598 1 1 26 GLU HA H 8.312 18.363 11.849 1.00 . A A . 26 GLU HA 1 1 6 2599 1 1 26 GLU HB2 H 6.394 16.232 10.986 1.00 . A A . 26 GLU HB2 1 1 6 2600 1 1 26 GLU HB3 H 6.293 17.331 12.354 1.00 . A A . 26 GLU HB3 1 1 6 2601 1 1 26 GLU HG2 H 5.988 19.187 10.655 1.00 . A A . 26 GLU HG2 1 1 6 2602 1 1 26 GLU HG3 H 5.750 17.911 9.462 1.00 . A A . 26 GLU HG3 1 1 6 2603 1 1 26 GLU N N 8.345 18.026 9.813 1.00 . A A . 26 GLU N 1 1 6 2604 1 1 26 GLU O O 9.516 16.273 12.569 1.00 . A A . 26 GLU O 1 1 6 2605 1 1 26 GLU OE1 O 3.939 17.935 12.129 1.00 . A A . 26 GLU OE1 1 1 6 2606 1 1 26 GLU OE2 O 3.336 18.101 10.022 1.00 . A A . 26 GLU OE2 1 1 6 2607 1 1 27 CYS C C 10.610 13.880 9.672 1.00 . A A . 27 CYS C 1 1 6 2608 1 1 27 CYS CA C 9.638 14.125 10.822 1.00 . A A . 27 CYS CA 1 1 6 2609 1 1 27 CYS CB C 8.685 12.937 10.961 1.00 . A A . 27 CYS CB 1 1 6 2610 1 1 27 CYS H H 8.365 15.464 9.790 1.00 . A A . 27 CYS H 1 1 6 2611 1 1 27 CYS HA H 10.202 14.231 11.737 1.00 . A A . 27 CYS HA 1 1 6 2612 1 1 27 CYS HB2 H 7.980 12.953 10.142 1.00 . A A . 27 CYS HB2 1 1 6 2613 1 1 27 CYS HB3 H 9.255 12.021 10.919 1.00 . A A . 27 CYS HB3 1 1 6 2614 1 1 27 CYS N N 8.886 15.356 10.614 1.00 . A A . 27 CYS N 1 1 6 2615 1 1 27 CYS O O 11.525 13.064 9.781 1.00 . A A . 27 CYS O 1 1 6 2616 1 1 27 CYS SG S 7.730 12.927 12.512 1.00 . A A . 27 CYS SG 1 1 6 2617 1 1 28 MET C C 11.773 15.814 6.933 1.00 . A A . 28 MET C 1 1 6 2618 1 1 28 MET CA C 11.263 14.453 7.398 1.00 . A A . 28 MET CA 1 1 6 2619 1 1 28 MET CB C 10.504 13.765 6.262 1.00 . A A . 28 MET CB 1 1 6 2620 1 1 28 MET CE C 7.554 10.811 6.303 1.00 . A A . 28 MET CE 1 1 6 2621 1 1 28 MET CG C 9.435 12.798 6.743 1.00 . A A . 28 MET CG 1 1 6 2622 1 1 28 MET H H 9.658 15.227 8.541 1.00 . A A . 28 MET H 1 1 6 2623 1 1 28 MET HA H 12.107 13.842 7.678 1.00 . A A . 28 MET HA 1 1 6 2624 1 1 28 MET HB2 H 10.029 14.519 5.653 1.00 . A A . 28 MET HB2 1 1 6 2625 1 1 28 MET HB3 H 11.209 13.215 5.655 1.00 . A A . 28 MET HB3 1 1 6 2626 1 1 28 MET HE1 H 7.163 10.039 5.655 1.00 . A A . 28 MET HE1 1 1 6 2627 1 1 28 MET HE2 H 8.015 10.356 7.167 1.00 . A A . 28 MET HE2 1 1 6 2628 1 1 28 MET HE3 H 6.748 11.455 6.622 1.00 . A A . 28 MET HE3 1 1 6 2629 1 1 28 MET HG2 H 9.865 12.151 7.494 1.00 . A A . 28 MET HG2 1 1 6 2630 1 1 28 MET HG3 H 8.627 13.365 7.181 1.00 . A A . 28 MET HG3 1 1 6 2631 1 1 28 MET N N 10.404 14.592 8.569 1.00 . A A . 28 MET N 1 1 6 2632 1 1 28 MET O O 11.011 16.666 6.476 1.00 . A A . 28 MET O 1 1 6 2633 1 1 28 MET SD S 8.772 11.777 5.413 1.00 . A A . 28 MET SD 1 1 6 2634 1 1 29 PRO C C 13.740 17.467 5.136 1.00 . A A . 29 PRO C 1 1 6 2635 1 1 29 PRO CA C 13.733 17.280 6.649 1.00 . A A . 29 PRO CA 1 1 6 2636 1 1 29 PRO CB C 15.162 17.134 7.177 1.00 . A A . 29 PRO CB 1 1 6 2637 1 1 29 PRO CD C 14.060 15.053 7.589 1.00 . A A . 29 PRO CD 1 1 6 2638 1 1 29 PRO CG C 15.391 15.664 7.249 1.00 . A A . 29 PRO CG 1 1 6 2639 1 1 29 PRO HA H 13.261 18.133 7.114 1.00 . A A . 29 PRO HA 1 1 6 2640 1 1 29 PRO HB2 H 15.851 17.609 6.493 1.00 . A A . 29 PRO HB2 1 1 6 2641 1 1 29 PRO HB3 H 15.239 17.593 8.151 1.00 . A A . 29 PRO HB3 1 1 6 2642 1 1 29 PRO HD2 H 13.951 14.093 7.107 1.00 . A A . 29 PRO HD2 1 1 6 2643 1 1 29 PRO HD3 H 13.953 14.954 8.659 1.00 . A A . 29 PRO HD3 1 1 6 2644 1 1 29 PRO HG2 H 15.738 15.299 6.294 1.00 . A A . 29 PRO HG2 1 1 6 2645 1 1 29 PRO HG3 H 16.113 15.442 8.021 1.00 . A A . 29 PRO HG3 1 1 6 2646 1 1 29 PRO N N 13.092 16.024 7.052 1.00 . A A . 29 PRO N 1 1 6 2647 1 1 29 PRO O O 13.997 18.563 4.638 1.00 . A A . 29 PRO O 1 1 6 2648 1 1 30 SER C C 12.135 17.061 2.449 1.00 . A A . 30 SER C 1 1 6 2649 1 1 30 SER CA C 13.433 16.437 2.952 1.00 . A A . 30 SER CA 1 1 6 2650 1 1 30 SER CB C 13.594 15.029 2.375 1.00 . A A . 30 SER CB 1 1 6 2651 1 1 30 SER H H 13.259 15.546 4.865 1.00 . A A . 30 SER H 1 1 6 2652 1 1 30 SER HA H 14.262 17.047 2.627 1.00 . A A . 30 SER HA 1 1 6 2653 1 1 30 SER HB2 H 14.350 14.498 2.932 1.00 . A A . 30 SER HB2 1 1 6 2654 1 1 30 SER HB3 H 12.653 14.502 2.451 1.00 . A A . 30 SER HB3 1 1 6 2655 1 1 30 SER HG H 13.256 15.428 0.486 1.00 . A A . 30 SER HG 1 1 6 2656 1 1 30 SER N N 13.456 16.391 4.410 1.00 . A A . 30 SER N 1 1 6 2657 1 1 30 SER O O 11.671 16.756 1.349 1.00 . A A . 30 SER O 1 1 6 2658 1 1 30 SER OG O 13.980 15.079 1.012 1.00 . A A . 30 SER OG 1 1 6 2659 1 1 31 CYS C C 10.584 19.955 2.248 1.00 . A A . 31 CYS C 1 1 6 2660 1 1 31 CYS CA C 10.307 18.604 2.901 1.00 . A A . 31 CYS CA 1 1 6 2661 1 1 31 CYS CB C 9.429 18.793 4.139 1.00 . A A . 31 CYS CB 1 1 6 2662 1 1 31 CYS H H 11.970 18.138 4.125 1.00 . A A . 31 CYS H 1 1 6 2663 1 1 31 CYS HA H 9.787 17.976 2.193 1.00 . A A . 31 CYS HA 1 1 6 2664 1 1 31 CYS HB2 H 9.953 18.413 5.004 1.00 . A A . 31 CYS HB2 1 1 6 2665 1 1 31 CYS HB3 H 9.235 19.847 4.275 1.00 . A A . 31 CYS HB3 1 1 6 2666 1 1 31 CYS N N 11.552 17.936 3.261 1.00 . A A . 31 CYS N 1 1 6 2667 1 1 31 CYS O O 11.176 20.842 2.861 1.00 . A A . 31 CYS O 1 1 6 2668 1 1 31 CYS SG S 7.821 17.941 4.047 1.00 . A A . 31 CYS SG 1 1 6 2669 1 1 32 ASN C C 9.128 22.250 0.378 1.00 . A A . 32 ASN C 1 1 6 2670 1 1 32 ASN CA C 10.352 21.346 0.264 1.00 . A A . 32 ASN CA 1 1 6 2671 1 1 32 ASN CB C 10.645 21.049 -1.208 1.00 . A A . 32 ASN CB 1 1 6 2672 1 1 32 ASN CG C 11.901 20.218 -1.391 1.00 . A A . 32 ASN CG 1 1 6 2673 1 1 32 ASN H H 9.685 19.359 0.564 1.00 . A A . 32 ASN H 1 1 6 2674 1 1 32 ASN HA H 11.201 21.853 0.696 1.00 . A A . 32 ASN HA 1 1 6 2675 1 1 32 ASN HB2 H 9.813 20.506 -1.632 1.00 . A A . 32 ASN HB2 1 1 6 2676 1 1 32 ASN HB3 H 10.771 21.980 -1.740 1.00 . A A . 32 ASN HB3 1 1 6 2677 1 1 32 ASN HD21 H 11.852 20.532 -3.354 1.00 . A A . 32 ASN HD21 1 1 6 2678 1 1 32 ASN HD22 H 13.159 19.558 -2.782 1.00 . A A . 32 ASN HD22 1 1 6 2679 1 1 32 ASN N N 10.151 20.103 1.000 1.00 . A A . 32 ASN N 1 1 6 2680 1 1 32 ASN ND2 N 12.349 20.090 -2.635 1.00 . A A . 32 ASN ND2 1 1 6 2681 1 1 32 ASN O O 9.254 23.468 0.496 1.00 . A A . 32 ASN O 1 1 6 2682 1 1 32 ASN OD1 O 12.461 19.698 -0.426 1.00 . A A . 32 ASN OD1 1 1 7 2683 1 1 1 2KT C1 C -0.080 2.942 21.070 1.00 . A A . 1 2KT C1 1 1 7 2684 1 1 1 2KT C2 C -0.717 1.900 20.519 1.00 . A A . 1 2KT C2 1 1 7 2685 1 1 1 2KT C3 C -1.989 1.857 20.525 1.00 . A A . 1 2KT C3 1 1 7 2686 1 1 1 2KT C4 C -2.544 2.499 19.554 1.00 . A A . 1 2KT C4 1 1 7 2687 1 1 1 2KT H31 H -2.501 2.299 21.261 1.00 . A A . 1 2KT H31 1 1 7 2688 1 1 1 2KT H32 H -2.459 0.975 20.558 1.00 . A A . 1 2KT H32 1 1 7 2689 1 1 1 2KT H41 H -3.535 2.630 19.544 1.00 . A A . 1 2KT H41 1 1 7 2690 1 1 1 2KT H42 H -2.290 3.449 19.373 1.00 . A A . 1 2KT H42 1 1 7 2691 1 1 1 2KT H43 H -2.453 2.164 18.616 1.00 . A A . 1 2KT H43 1 1 7 2692 1 1 1 2KT O1 O -0.761 3.818 21.605 1.00 . A A . 1 2KT O1 1 1 7 2693 1 1 1 2KT O3 O -0.046 0.998 20.013 1.00 . A A . 1 2KT O3 1 1 7 2694 1 1 2 ILE C C 1.521 5.432 21.039 1.00 . A A . 2 ILE C 1 1 7 2695 1 1 2 ILE CA C 1.997 4.095 21.597 1.00 . A A . 2 ILE CA 1 1 7 2696 1 1 2 ILE CB C 3.507 3.951 21.335 1.00 . A A . 2 ILE CB 1 1 7 2697 1 1 2 ILE CD1 C 3.220 3.337 18.882 1.00 . A A . 2 ILE CD1 1 1 7 2698 1 1 2 ILE CG1 C 3.830 4.296 19.880 1.00 . A A . 2 ILE CG1 1 1 7 2699 1 1 2 ILE CG2 C 3.970 2.540 21.666 1.00 . A A . 2 ILE CG2 1 1 7 2700 1 1 2 ILE H H 1.733 2.259 20.578 1.00 . A A . 2 ILE H 1 1 7 2701 1 1 2 ILE HA H 1.834 4.084 22.665 1.00 . A A . 2 ILE HA 1 1 7 2702 1 1 2 ILE HB H 4.030 4.636 21.985 1.00 . A A . 2 ILE HB 1 1 7 2703 1 1 2 ILE HD11 H 3.570 2.335 19.085 1.00 . A A . 2 ILE HD11 1 1 7 2704 1 1 2 ILE HD12 H 2.143 3.365 18.967 1.00 . A A . 2 ILE HD12 1 1 7 2705 1 1 2 ILE HD13 H 3.511 3.623 17.883 1.00 . A A . 2 ILE HD13 1 1 7 2706 1 1 2 ILE HG12 H 3.458 5.284 19.660 1.00 . A A . 2 ILE HG12 1 1 7 2707 1 1 2 ILE HG13 H 4.902 4.281 19.743 1.00 . A A . 2 ILE HG13 1 1 7 2708 1 1 2 ILE HG21 H 4.538 2.144 20.837 1.00 . A A . 2 ILE HG21 1 1 7 2709 1 1 2 ILE HG22 H 4.591 2.562 22.548 1.00 . A A . 2 ILE HG22 1 1 7 2710 1 1 2 ILE HG23 H 3.110 1.912 21.846 1.00 . A A . 2 ILE HG23 1 1 7 2711 1 1 2 ILE N N 1.247 2.987 21.018 1.00 . A A . 2 ILE N 1 1 7 2712 1 1 2 ILE O O 0.831 5.479 20.020 1.00 . A A . 2 ILE O 1 1 7 2713 1 1 3 . C C 0.522 8.454 22.277 1.00 . A A . 3 DBB C 1 1 7 2714 1 1 3 . CA C 1.504 7.846 21.293 1.00 . A A . 3 DBB CA 1 1 7 2715 1 1 3 . CB C 2.738 8.763 21.162 1.00 . A A . 3 DBB CB 1 1 7 2716 1 1 3 . CG C 3.781 8.059 20.294 1.00 . A A . 3 DBB CG 1 1 7 2717 1 1 3 . H H 2.446 6.402 22.521 1.00 . A A . 3 DBB H 1 1 7 2718 1 1 3 . HA H 1.030 7.773 20.326 1.00 . A A . 3 DBB HA 1 1 7 2719 1 1 3 . HB3 H 3.153 8.879 22.156 1.00 . A A . 3 DBB HB3 1 1 7 2720 1 1 3 . HG1 H 4.215 7.243 20.848 1.00 . A A . 3 DBB HG1 1 1 7 2721 1 1 3 . HG2 H 4.552 8.761 20.016 1.00 . A A . 3 DBB HG2 1 1 7 2722 1 1 3 . HG3 H 3.301 7.676 19.405 1.00 . A A . 3 DBB HG3 1 1 7 2723 1 1 3 . N N 1.893 6.510 21.710 1.00 . A A . 3 DBB N 1 1 7 2724 1 1 3 . O O 0.344 9.672 22.318 1.00 . A A . 3 DBB O 1 1 7 2725 1 1 4 LEU C C -0.764 9.448 24.555 1.00 . A A . 4 LEU C 1 1 7 2726 1 1 4 LEU CA C -1.117 8.059 24.034 1.00 . A A . 4 LEU CA 1 1 7 2727 1 1 4 LEU CB C -1.206 7.072 25.199 1.00 . A A . 4 LEU CB 1 1 7 2728 1 1 4 LEU CD1 C -1.632 4.827 24.170 1.00 . A A . 4 LEU CD1 1 1 7 2729 1 1 4 LEU CD2 C -2.623 5.386 26.398 1.00 . A A . 4 LEU CD2 1 1 7 2730 1 1 4 LEU CG C -2.213 5.932 25.038 1.00 . A A . 4 LEU CG 1 1 7 2731 1 1 4 LEU H H 0.053 6.643 22.982 1.00 . A A . 4 LEU H 1 1 7 2732 1 1 4 LEU HA H -2.075 8.106 23.538 1.00 . A A . 4 LEU HA 1 1 7 2733 1 1 4 LEU HB2 H -0.230 6.634 25.337 1.00 . A A . 4 LEU HB2 1 1 7 2734 1 1 4 LEU HB3 H -1.477 7.631 26.084 1.00 . A A . 4 LEU HB3 1 1 7 2735 1 1 4 LEU HD11 H -0.767 4.404 24.658 1.00 . A A . 4 LEU HD11 1 1 7 2736 1 1 4 LEU HD12 H -1.343 5.234 23.213 1.00 . A A . 4 LEU HD12 1 1 7 2737 1 1 4 LEU HD13 H -2.375 4.057 24.023 1.00 . A A . 4 LEU HD13 1 1 7 2738 1 1 4 LEU HD21 H -1.840 4.748 26.780 1.00 . A A . 4 LEU HD21 1 1 7 2739 1 1 4 LEU HD22 H -3.535 4.817 26.296 1.00 . A A . 4 LEU HD22 1 1 7 2740 1 1 4 LEU HD23 H -2.785 6.207 27.081 1.00 . A A . 4 LEU HD23 1 1 7 2741 1 1 4 LEU HG H -3.099 6.310 24.547 1.00 . A A . 4 LEU HG 1 1 7 2742 1 1 4 LEU N N -0.131 7.602 23.060 1.00 . A A . 4 LEU N 1 1 7 2743 1 1 4 LEU O O 0.375 9.679 24.976 1.00 . A A . 4 LEU O 1 1 7 2744 1 1 5 DHA C C -1.700 12.724 24.088 1.00 . A A . 5 DHA C 1 1 7 2745 1 1 5 DHA CA C -1.536 11.633 24.970 1.00 . A A . 5 DHA CA 1 1 7 2746 1 1 5 DHA CB C -1.214 11.852 26.250 1.00 . A A . 5 DHA CB 1 1 7 2747 1 1 5 DHA H H -2.596 10.048 24.167 1.00 . A A . 5 DHA H 1 1 7 2748 1 1 5 DHA HB1 H -1.098 11.020 26.930 1.00 . A A . 5 DHA HB1 1 1 7 2749 1 1 5 DHA HB2 H -1.103 12.857 26.613 1.00 . A A . 5 DHA HB2 1 1 7 2750 1 1 5 DHA N N -1.739 10.353 24.523 1.00 . A A . 5 DHA N 1 1 7 2751 1 1 5 DHA O O -2.823 13.160 23.812 1.00 . A A . 5 DHA O 1 1 7 2752 1 1 6 DBU C C -0.255 13.918 21.169 1.00 . A A . 6 DBU C 1 1 7 2753 1 1 6 DBU CA C -0.656 14.184 22.609 1.00 . A A . 6 DBU CA 1 1 7 2754 1 1 6 DBU CB C -1.079 15.403 22.977 1.00 . A A . 6 DBU CB 1 1 7 2755 1 1 6 DBU CG C -1.473 15.638 24.406 1.00 . A A . 6 DBU CG 1 1 7 2756 1 1 6 DBU H1 H 0.255 12.757 23.811 1.00 . A A . 6 DBU H1 1 1 7 2757 1 1 6 DBU HB1 H -1.127 16.202 22.250 1.00 . A A . 6 DBU HB1 1 1 7 2758 1 1 6 DBU HG1 H -2.483 15.293 24.562 1.00 . A A . 6 DBU HG1 1 1 7 2759 1 1 6 DBU HG2 H -1.423 16.691 24.627 1.00 . A A . 6 DBU HG2 1 1 7 2760 1 1 6 DBU HG3 H -0.797 15.096 25.053 1.00 . A A . 6 DBU HG3 1 1 7 2761 1 1 6 DBU N N -0.586 13.172 23.521 1.00 . A A . 6 DBU N 1 1 7 2762 1 1 6 DBU O O -0.180 14.833 20.348 1.00 . A A . 6 DBU O 1 1 7 2763 1 1 7 CYS C C -0.640 12.490 18.517 1.00 . A A . 7 CYS C 1 1 7 2764 1 1 7 CYS CA C 0.470 12.262 19.539 1.00 . A A . 7 CYS CA 1 1 7 2765 1 1 7 CYS CB C 0.893 10.792 19.530 1.00 . A A . 7 CYS CB 1 1 7 2766 1 1 7 CYS H H -0.043 11.971 21.572 1.00 . A A . 7 CYS H 1 1 7 2767 1 1 7 CYS HA H 1.319 12.874 19.273 1.00 . A A . 7 CYS HA 1 1 7 2768 1 1 7 CYS HB2 H 0.081 10.190 19.911 1.00 . A A . 7 CYS HB2 1 1 7 2769 1 1 7 CYS HB3 H 1.110 10.494 18.515 1.00 . A A . 7 CYS HB3 1 1 7 2770 1 1 7 CYS N N 0.036 12.656 20.874 1.00 . A A . 7 CYS N 1 1 7 2771 1 1 7 CYS O O -0.464 13.229 17.549 1.00 . A A . 7 CYS O 1 1 7 2772 1 1 7 CYS SG S 2.366 10.436 20.541 1.00 . A A . 7 CYS SG 1 1 7 2773 1 1 8 ALA C C -3.465 13.409 17.852 1.00 . A A . 8 ALA C 1 1 7 2774 1 1 8 ALA CA C -2.922 11.984 17.841 1.00 . A A . 8 ALA CA 1 1 7 2775 1 1 8 ALA CB C -4.015 10.997 18.223 1.00 . A A . 8 ALA CB 1 1 7 2776 1 1 8 ALA H H -1.862 11.274 19.529 1.00 . A A . 8 ALA H 1 1 7 2777 1 1 8 ALA HA H -2.588 11.745 16.841 1.00 . A A . 8 ALA HA 1 1 7 2778 1 1 8 ALA HB1 H -4.128 10.265 17.436 1.00 . A A . 8 ALA HB1 1 1 7 2779 1 1 8 ALA HB2 H -3.745 10.499 19.142 1.00 . A A . 8 ALA HB2 1 1 7 2780 1 1 8 ALA HB3 H -4.946 11.526 18.359 1.00 . A A . 8 ALA HB3 1 1 7 2781 1 1 8 ALA N N -1.783 11.850 18.740 1.00 . A A . 8 ALA N 1 1 7 2782 1 1 8 ALA O O -4.371 13.743 17.088 1.00 . A A . 8 ALA O 1 1 7 2783 1 1 9 ILE C C -2.434 16.552 18.020 1.00 . A A . 9 ILE C 1 1 7 2784 1 1 9 ILE CA C -3.337 15.631 18.833 1.00 . A A . 9 ILE CA 1 1 7 2785 1 1 9 ILE CB C -3.347 16.103 20.299 1.00 . A A . 9 ILE CB 1 1 7 2786 1 1 9 ILE CD1 C -4.512 15.694 22.524 1.00 . A A . 9 ILE CD1 1 1 7 2787 1 1 9 ILE CG1 C -4.156 15.136 21.164 1.00 . A A . 9 ILE CG1 1 1 7 2788 1 1 9 ILE CG2 C -3.913 17.512 20.398 1.00 . A A . 9 ILE CG2 1 1 7 2789 1 1 9 ILE H H -2.190 13.917 19.305 1.00 . A A . 9 ILE H 1 1 7 2790 1 1 9 ILE HA H -4.344 15.700 18.447 1.00 . A A . 9 ILE HA 1 1 7 2791 1 1 9 ILE HB H -2.327 16.125 20.653 1.00 . A A . 9 ILE HB 1 1 7 2792 1 1 9 ILE HD11 H -5.009 14.931 23.107 1.00 . A A . 9 ILE HD11 1 1 7 2793 1 1 9 ILE HD12 H -3.611 16.004 23.033 1.00 . A A . 9 ILE HD12 1 1 7 2794 1 1 9 ILE HD13 H -5.170 16.541 22.406 1.00 . A A . 9 ILE HD13 1 1 7 2795 1 1 9 ILE HG12 H -5.076 14.891 20.656 1.00 . A A . 9 ILE HG12 1 1 7 2796 1 1 9 ILE HG13 H -3.582 14.233 21.315 1.00 . A A . 9 ILE HG13 1 1 7 2797 1 1 9 ILE HG21 H -4.959 17.499 20.129 1.00 . A A . 9 ILE HG21 1 1 7 2798 1 1 9 ILE HG22 H -3.807 17.871 21.411 1.00 . A A . 9 ILE HG22 1 1 7 2799 1 1 9 ILE HG23 H -3.376 18.164 19.726 1.00 . A A . 9 ILE HG23 1 1 7 2800 1 1 9 ILE N N -2.908 14.243 18.723 1.00 . A A . 9 ILE N 1 1 7 2801 1 1 9 ILE O O -2.911 17.399 17.263 1.00 . A A . 9 ILE O 1 1 7 2802 1 1 10 LEU C C 0.337 16.475 16.206 1.00 . A A . 10 LEU C 1 1 7 2803 1 1 10 LEU CA C -0.154 17.194 17.459 1.00 . A A . 10 LEU CA 1 1 7 2804 1 1 10 LEU CB C 1.031 17.531 18.365 1.00 . A A . 10 LEU CB 1 1 7 2805 1 1 10 LEU CD1 C 2.294 19.273 19.651 1.00 . A A . 10 LEU CD1 1 1 7 2806 1 1 10 LEU CD2 C 2.163 19.413 17.157 1.00 . A A . 10 LEU CD2 1 1 7 2807 1 1 10 LEU CG C 1.432 19.005 18.427 1.00 . A A . 10 LEU CG 1 1 7 2808 1 1 10 LEU H H -0.806 15.689 18.796 1.00 . A A . 10 LEU H 1 1 7 2809 1 1 10 LEU HA H -0.643 18.111 17.164 1.00 . A A . 10 LEU HA 1 1 7 2810 1 1 10 LEU HB2 H 0.782 17.213 19.366 1.00 . A A . 10 LEU HB2 1 1 7 2811 1 1 10 LEU HB3 H 1.886 16.969 18.014 1.00 . A A . 10 LEU HB3 1 1 7 2812 1 1 10 LEU HD11 H 2.028 20.228 20.077 1.00 . A A . 10 LEU HD11 1 1 7 2813 1 1 10 LEU HD12 H 3.335 19.285 19.362 1.00 . A A . 10 LEU HD12 1 1 7 2814 1 1 10 LEU HD13 H 2.133 18.494 20.382 1.00 . A A . 10 LEU HD13 1 1 7 2815 1 1 10 LEU HD21 H 2.476 18.529 16.622 1.00 . A A . 10 LEU HD21 1 1 7 2816 1 1 10 LEU HD22 H 3.030 20.004 17.415 1.00 . A A . 10 LEU HD22 1 1 7 2817 1 1 10 LEU HD23 H 1.502 19.998 16.533 1.00 . A A . 10 LEU HD23 1 1 7 2818 1 1 10 LEU HG H 0.539 19.611 18.510 1.00 . A A . 10 LEU HG 1 1 7 2819 1 1 10 LEU N N -1.126 16.380 18.179 1.00 . A A . 10 LEU N 1 1 7 2820 1 1 10 LEU O O 1.385 16.810 15.650 1.00 . A A . 10 LEU O 1 1 7 2821 1 1 11 DAL C C -0.035 15.604 13.338 1.00 . A A . 11 DAL C 1 1 7 2822 1 1 11 DAL CA C -0.064 14.720 14.583 1.00 . A A . 11 DAL CA 1 1 7 2823 1 1 11 DAL CB C 1.300 14.064 14.781 1.00 . A A . 11 DAL CB 1 1 7 2824 1 1 11 DAL H H -1.249 15.259 16.246 1.00 . A A . 11 DAL H 1 1 7 2825 1 1 11 DAL HA H -0.807 13.948 14.451 1.00 . A A . 11 DAL HA 1 1 7 2826 1 1 11 DAL HB2 H 1.165 13.130 15.305 1.00 . A A . 11 DAL HB2 1 1 7 2827 1 1 11 DAL HB3 H 1.922 14.720 15.381 1.00 . A A . 11 DAL HB3 1 1 7 2828 1 1 11 DAL N N -0.423 15.487 15.765 1.00 . A A . 11 DAL N 1 1 7 2829 1 1 11 DAL O O 0.779 16.521 13.228 1.00 . A A . 11 DAL O 1 1 7 2830 1 1 12 LYS C C -0.666 17.545 11.398 1.00 . A A . 12 LYS C 1 1 7 2831 1 1 12 LYS CA C -1.010 16.079 11.159 1.00 . A A . 12 LYS CA 1 1 7 2832 1 1 12 LYS CB C -2.413 15.964 10.556 1.00 . A A . 12 LYS CB 1 1 7 2833 1 1 12 LYS CD C -4.863 16.432 10.848 1.00 . A A . 12 LYS CD 1 1 7 2834 1 1 12 LYS CE C -5.465 15.384 11.771 1.00 . A A . 12 LYS CE 1 1 7 2835 1 1 12 LYS CG C -3.453 16.806 11.274 1.00 . A A . 12 LYS CG 1 1 7 2836 1 1 12 LYS H H -1.553 14.573 12.545 1.00 . A A . 12 LYS H 1 1 7 2837 1 1 12 LYS HA H -0.295 15.662 10.466 1.00 . A A . 12 LYS HA 1 1 7 2838 1 1 12 LYS HB2 H -2.374 16.280 9.524 1.00 . A A . 12 LYS HB2 1 1 7 2839 1 1 12 LYS HB3 H -2.726 14.931 10.597 1.00 . A A . 12 LYS HB3 1 1 7 2840 1 1 12 LYS HD2 H -5.484 17.315 10.872 1.00 . A A . 12 LYS HD2 1 1 7 2841 1 1 12 LYS HD3 H -4.834 16.038 9.842 1.00 . A A . 12 LYS HD3 1 1 7 2842 1 1 12 LYS HE2 H -5.089 15.545 12.770 1.00 . A A . 12 LYS HE2 1 1 7 2843 1 1 12 LYS HE3 H -6.539 15.495 11.769 1.00 . A A . 12 LYS HE3 1 1 7 2844 1 1 12 LYS HG2 H -3.357 16.651 12.338 1.00 . A A . 12 LYS HG2 1 1 7 2845 1 1 12 LYS HG3 H -3.282 17.848 11.043 1.00 . A A . 12 LYS HG3 1 1 7 2846 1 1 12 LYS HZ1 H -4.639 14.023 10.418 1.00 . A A . 12 LYS HZ1 1 1 7 2847 1 1 12 LYS HZ2 H -5.982 13.427 11.257 1.00 . A A . 12 LYS HZ2 1 1 7 2848 1 1 12 LYS HZ3 H -4.487 13.557 12.037 1.00 . A A . 12 LYS HZ3 1 1 7 2849 1 1 12 LYS N N -0.930 15.316 12.399 1.00 . A A . 12 LYS N 1 1 7 2850 1 1 12 LYS NZ N -5.119 14.001 11.340 1.00 . A A . 12 LYS NZ 1 1 7 2851 1 1 12 LYS O O -1.023 18.133 12.419 1.00 . A A . 12 LYS O 1 1 7 2852 1 1 13 PRO C C -0.734 20.512 10.384 1.00 . A A . 13 PRO C 1 1 7 2853 1 1 13 PRO CA C 0.448 19.559 10.517 1.00 . A A . 13 PRO CA 1 1 7 2854 1 1 13 PRO CB C 1.403 19.723 9.332 1.00 . A A . 13 PRO CB 1 1 7 2855 1 1 13 PRO CD C 0.502 17.513 9.190 1.00 . A A . 13 PRO CD 1 1 7 2856 1 1 13 PRO CG C 0.988 18.671 8.363 1.00 . A A . 13 PRO CG 1 1 7 2857 1 1 13 PRO HA H 0.974 19.766 11.437 1.00 . A A . 13 PRO HA 1 1 7 2858 1 1 13 PRO HB2 H 1.294 20.713 8.913 1.00 . A A . 13 PRO HB2 1 1 7 2859 1 1 13 PRO HB3 H 2.421 19.575 9.662 1.00 . A A . 13 PRO HB3 1 1 7 2860 1 1 13 PRO HD2 H -0.313 17.009 8.692 1.00 . A A . 13 PRO HD2 1 1 7 2861 1 1 13 PRO HD3 H 1.310 16.824 9.387 1.00 . A A . 13 PRO HD3 1 1 7 2862 1 1 13 PRO HG2 H 0.192 19.043 7.735 1.00 . A A . 13 PRO HG2 1 1 7 2863 1 1 13 PRO HG3 H 1.833 18.372 7.761 1.00 . A A . 13 PRO HG3 1 1 7 2864 1 1 13 PRO N N 0.042 18.152 10.435 1.00 . A A . 13 PRO N 1 1 7 2865 1 1 13 PRO O O -1.886 20.082 10.303 1.00 . A A . 13 PRO O 1 1 7 2866 1 1 14 LEU C C -1.712 23.194 8.774 1.00 . A A . 14 LEU C 1 1 7 2867 1 1 14 LEU CA C -1.484 22.823 10.236 1.00 . A A . 14 LEU CA 1 1 7 2868 1 1 14 LEU CB C -1.105 24.070 11.037 1.00 . A A . 14 LEU CB 1 1 7 2869 1 1 14 LEU CD1 C 0.532 25.951 11.298 1.00 . A A . 14 LEU CD1 1 1 7 2870 1 1 14 LEU CD2 C 1.171 23.635 11.994 1.00 . A A . 14 LEU CD2 1 1 7 2871 1 1 14 LEU CG C 0.371 24.468 11.003 1.00 . A A . 14 LEU CG 1 1 7 2872 1 1 14 LEU H H 0.492 22.090 10.429 1.00 . A A . 14 LEU H 1 1 7 2873 1 1 14 LEU HA H -2.398 22.412 10.638 1.00 . A A . 14 LEU HA 1 1 7 2874 1 1 14 LEU HB2 H -1.679 24.898 10.651 1.00 . A A . 14 LEU HB2 1 1 7 2875 1 1 14 LEU HB3 H -1.378 23.896 12.068 1.00 . A A . 14 LEU HB3 1 1 7 2876 1 1 14 LEU HD11 H 1.577 26.179 11.439 1.00 . A A . 14 LEU HD11 1 1 7 2877 1 1 14 LEU HD12 H -0.015 26.201 12.195 1.00 . A A . 14 LEU HD12 1 1 7 2878 1 1 14 LEU HD13 H 0.145 26.526 10.469 1.00 . A A . 14 LEU HD13 1 1 7 2879 1 1 14 LEU HD21 H 1.952 23.105 11.471 1.00 . A A . 14 LEU HD21 1 1 7 2880 1 1 14 LEU HD22 H 0.516 22.926 12.478 1.00 . A A . 14 LEU HD22 1 1 7 2881 1 1 14 LEU HD23 H 1.610 24.284 12.737 1.00 . A A . 14 LEU HD23 1 1 7 2882 1 1 14 LEU HG H 0.764 24.280 10.013 1.00 . A A . 14 LEU HG 1 1 7 2883 1 1 14 LEU N N -0.444 21.808 10.361 1.00 . A A . 14 LEU N 1 1 7 2884 1 1 14 LEU O O -0.797 23.119 7.955 1.00 . A A . 14 LEU O 1 1 7 2885 1 1 15 GLY C C -2.715 22.995 6.072 1.00 . A A . 15 GLY C 1 1 7 2886 1 1 15 GLY CA C -3.263 23.974 7.092 1.00 . A A . 15 GLY CA 1 1 7 2887 1 1 15 GLY H H -3.628 23.636 9.150 1.00 . A A . 15 GLY H 1 1 7 2888 1 1 15 GLY HA2 H -4.337 24.021 6.990 1.00 . A A . 15 GLY HA2 1 1 7 2889 1 1 15 GLY HA3 H -2.849 24.952 6.894 1.00 . A A . 15 GLY HA3 1 1 7 2890 1 1 15 GLY N N -2.938 23.596 8.455 1.00 . A A . 15 GLY N 1 1 7 2891 1 1 15 GLY O O -2.069 23.394 5.105 1.00 . A A . 15 GLY O 1 1 7 2892 1 1 16 ASN C C -3.660 19.823 4.872 1.00 . A A . 16 ASN C 1 1 7 2893 1 1 16 ASN CA C -2.499 20.671 5.383 1.00 . A A . 16 ASN CA 1 1 7 2894 1 1 16 ASN CB C -1.474 19.779 6.087 1.00 . A A . 16 ASN CB 1 1 7 2895 1 1 16 ASN CG C -2.110 18.876 7.126 1.00 . A A . 16 ASN CG 1 1 7 2896 1 1 16 ASN H H -3.494 21.453 7.080 1.00 . A A . 16 ASN H 1 1 7 2897 1 1 16 ASN HA H -2.025 21.155 4.543 1.00 . A A . 16 ASN HA 1 1 7 2898 1 1 16 ASN HB2 H -0.981 19.159 5.353 1.00 . A A . 16 ASN HB2 1 1 7 2899 1 1 16 ASN HB3 H -0.741 20.401 6.578 1.00 . A A . 16 ASN HB3 1 1 7 2900 1 1 16 ASN HD21 H -1.272 17.279 6.287 1.00 . A A . 16 ASN HD21 1 1 7 2901 1 1 16 ASN HD22 H -2.250 16.971 7.678 1.00 . A A . 16 ASN HD22 1 1 7 2902 1 1 16 ASN N N -2.973 21.710 6.290 1.00 . A A . 16 ASN N 1 1 7 2903 1 1 16 ASN ND2 N -1.851 17.578 7.020 1.00 . A A . 16 ASN ND2 1 1 7 2904 1 1 16 ASN O O -4.824 20.193 5.021 1.00 . A A . 16 ASN O 1 1 7 2905 1 1 16 ASN OD1 O -2.825 19.340 8.014 1.00 . A A . 16 ASN OD1 1 1 7 2906 1 1 17 ASN C C -4.955 16.928 4.845 1.00 . A A . 17 ASN C 1 1 7 2907 1 1 17 ASN CA C -4.351 17.784 3.736 1.00 . A A . 17 ASN CA 1 1 7 2908 1 1 17 ASN CB C -3.748 16.886 2.654 1.00 . A A . 17 ASN CB 1 1 7 2909 1 1 17 ASN CG C -4.788 16.007 1.987 1.00 . A A . 17 ASN CG 1 1 7 2910 1 1 17 ASN H H -2.389 18.444 4.181 1.00 . A A . 17 ASN H 1 1 7 2911 1 1 17 ASN HA H -5.131 18.388 3.297 1.00 . A A . 17 ASN HA 1 1 7 2912 1 1 17 ASN HB2 H -3.288 17.504 1.896 1.00 . A A . 17 ASN HB2 1 1 7 2913 1 1 17 ASN HB3 H -2.997 16.250 3.099 1.00 . A A . 17 ASN HB3 1 1 7 2914 1 1 17 ASN HD21 H -3.361 14.972 1.068 1.00 . A A . 17 ASN HD21 1 1 7 2915 1 1 17 ASN HD22 H -4.981 14.471 0.739 1.00 . A A . 17 ASN HD22 1 1 7 2916 1 1 17 ASN N N -3.335 18.685 4.270 1.00 . A A . 17 ASN N 1 1 7 2917 1 1 17 ASN ND2 N -4.330 15.054 1.184 1.00 . A A . 17 ASN ND2 1 1 7 2918 1 1 17 ASN O O -5.624 15.931 4.579 1.00 . A A . 17 ASN O 1 1 7 2919 1 1 17 ASN OD1 O -5.990 16.183 2.192 1.00 . A A . 17 ASN OD1 1 1 7 2920 1 1 18 GLY C C -4.763 15.148 7.247 1.00 . A A . 18 GLY C 1 1 7 2921 1 1 18 GLY CA C -5.243 16.586 7.221 1.00 . A A . 18 GLY CA 1 1 7 2922 1 1 18 GLY H H -4.175 18.130 6.243 1.00 . A A . 18 GLY H 1 1 7 2923 1 1 18 GLY HA2 H -4.934 17.074 8.133 1.00 . A A . 18 GLY HA2 1 1 7 2924 1 1 18 GLY HA3 H -6.322 16.592 7.169 1.00 . A A . 18 GLY HA3 1 1 7 2925 1 1 18 GLY N N -4.715 17.327 6.091 1.00 . A A . 18 GLY N 1 1 7 2926 1 1 18 GLY O O -5.305 14.319 7.978 1.00 . A A . 18 GLY O 1 1 7 2927 1 1 19 TYR C C -2.610 13.084 7.724 1.00 . A A . 19 TYR C 1 1 7 2928 1 1 19 TYR CA C -3.195 13.503 6.379 1.00 . A A . 19 TYR CA 1 1 7 2929 1 1 19 TYR CB C -2.119 13.423 5.294 1.00 . A A . 19 TYR CB 1 1 7 2930 1 1 19 TYR CD1 C -3.085 11.383 4.163 1.00 . A A . 19 TYR CD1 1 1 7 2931 1 1 19 TYR CD2 C -0.745 11.416 4.614 1.00 . A A . 19 TYR CD2 1 1 7 2932 1 1 19 TYR CE1 C -2.964 10.127 3.600 1.00 . A A . 19 TYR CE1 1 1 7 2933 1 1 19 TYR CE2 C -0.614 10.162 4.052 1.00 . A A . 19 TYR CE2 1 1 7 2934 1 1 19 TYR CG C -1.980 12.049 4.679 1.00 . A A . 19 TYR CG 1 1 7 2935 1 1 19 TYR CZ C -1.726 9.521 3.546 1.00 . A A . 19 TYR CZ 1 1 7 2936 1 1 19 TYR H H -3.355 15.556 5.889 1.00 . A A . 19 TYR H 1 1 7 2937 1 1 19 TYR HA H -4.000 12.829 6.123 1.00 . A A . 19 TYR HA 1 1 7 2938 1 1 19 TYR HB2 H -2.362 14.117 4.504 1.00 . A A . 19 TYR HB2 1 1 7 2939 1 1 19 TYR HB3 H -1.165 13.693 5.723 1.00 . A A . 19 TYR HB3 1 1 7 2940 1 1 19 TYR HD1 H -4.054 11.861 4.206 1.00 . A A . 19 TYR HD1 1 1 7 2941 1 1 19 TYR HD2 H 0.124 11.921 5.011 1.00 . A A . 19 TYR HD2 1 1 7 2942 1 1 19 TYR HE1 H -3.834 9.625 3.204 1.00 . A A . 19 TYR HE1 1 1 7 2943 1 1 19 TYR HE2 H 0.355 9.686 4.010 1.00 . A A . 19 TYR HE2 1 1 7 2944 1 1 19 TYR HH H -2.372 7.743 3.205 1.00 . A A . 19 TYR HH 1 1 7 2945 1 1 19 TYR N N -3.745 14.852 6.447 1.00 . A A . 19 TYR N 1 1 7 2946 1 1 19 TYR O O -2.717 13.809 8.714 1.00 . A A . 19 TYR O 1 1 7 2947 1 1 19 TYR OH O -1.600 8.270 2.987 1.00 . A A . 19 TYR OH 1 1 7 2948 1 1 20 LEU C C -0.121 12.170 9.328 1.00 . A A . 20 LEU C 1 1 7 2949 1 1 20 LEU CA C -1.385 11.392 8.974 1.00 . A A . 20 LEU CA 1 1 7 2950 1 1 20 LEU CB C -1.055 9.907 8.814 1.00 . A A . 20 LEU CB 1 1 7 2951 1 1 20 LEU CD1 C -1.817 7.625 8.111 1.00 . A A . 20 LEU CD1 1 1 7 2952 1 1 20 LEU CD2 C -2.931 8.775 10.032 1.00 . A A . 20 LEU CD2 1 1 7 2953 1 1 20 LEU CG C -2.252 8.964 8.684 1.00 . A A . 20 LEU CG 1 1 7 2954 1 1 20 LEU H H -1.936 11.377 6.931 1.00 . A A . 20 LEU H 1 1 7 2955 1 1 20 LEU HA H -2.101 11.510 9.773 1.00 . A A . 20 LEU HA 1 1 7 2956 1 1 20 LEU HB2 H -0.449 9.796 7.929 1.00 . A A . 20 LEU HB2 1 1 7 2957 1 1 20 LEU HB3 H -0.485 9.601 9.680 1.00 . A A . 20 LEU HB3 1 1 7 2958 1 1 20 LEU HD11 H -1.603 6.940 8.918 1.00 . A A . 20 LEU HD11 1 1 7 2959 1 1 20 LEU HD12 H -0.929 7.761 7.511 1.00 . A A . 20 LEU HD12 1 1 7 2960 1 1 20 LEU HD13 H -2.608 7.222 7.496 1.00 . A A . 20 LEU HD13 1 1 7 2961 1 1 20 LEU HD21 H -2.202 8.886 10.821 1.00 . A A . 20 LEU HD21 1 1 7 2962 1 1 20 LEU HD22 H -3.366 7.787 10.080 1.00 . A A . 20 LEU HD22 1 1 7 2963 1 1 20 LEU HD23 H -3.708 9.516 10.152 1.00 . A A . 20 LEU HD23 1 1 7 2964 1 1 20 LEU HG H -2.972 9.399 8.004 1.00 . A A . 20 LEU HG 1 1 7 2965 1 1 20 LEU N N -1.989 11.910 7.751 1.00 . A A . 20 LEU N 1 1 7 2966 1 1 20 LEU O O 0.215 13.159 8.676 1.00 . A A . 20 LEU O 1 1 7 2967 1 1 21 CYS C C 3.011 11.822 10.045 1.00 . A A . 21 CYS C 1 1 7 2968 1 1 21 CYS CA C 1.804 12.366 10.804 1.00 . A A . 21 CYS CA 1 1 7 2969 1 1 21 CYS CB C 2.001 12.165 12.308 1.00 . A A . 21 CYS CB 1 1 7 2970 1 1 21 CYS H H 0.258 10.922 10.844 1.00 . A A . 21 CYS H 1 1 7 2971 1 1 21 CYS HA H 1.712 13.422 10.600 1.00 . A A . 21 CYS HA 1 1 7 2972 1 1 21 CYS HB2 H 1.147 11.638 12.708 1.00 . A A . 21 CYS HB2 1 1 7 2973 1 1 21 CYS HB3 H 2.891 11.575 12.471 1.00 . A A . 21 CYS HB3 1 1 7 2974 1 1 21 CYS N N 0.577 11.715 10.363 1.00 . A A . 21 CYS N 1 1 7 2975 1 1 21 CYS O O 2.861 11.152 9.022 1.00 . A A . 21 CYS O 1 1 7 2976 1 1 21 CYS SG S 2.184 13.715 13.247 1.00 . A A . 21 CYS SG 1 1 7 2977 1 1 22 . C C 5.679 12.414 8.627 1.00 . A A . 22 DBB C 1 1 7 2978 1 1 22 . CA C 5.430 11.665 9.923 1.00 . A A . 22 DBB CA 1 1 7 2979 1 1 22 . CB C 6.633 11.860 10.871 1.00 . A A . 22 DBB CB 1 1 7 2980 1 1 22 . CG C 6.309 11.208 12.214 1.00 . A A . 22 DBB CG 1 1 7 2981 1 1 22 . H H 4.248 12.655 11.374 1.00 . A A . 22 DBB H 1 1 7 2982 1 1 22 . HA H 5.335 10.612 9.707 1.00 . A A . 22 DBB HA 1 1 7 2983 1 1 22 . HB3 H 6.737 12.927 11.033 1.00 . A A . 22 DBB HB3 1 1 7 2984 1 1 22 . HG1 H 7.222 11.053 12.766 1.00 . A A . 22 DBB HG1 1 1 7 2985 1 1 22 . HG2 H 5.820 10.261 12.047 1.00 . A A . 22 DBB HG2 1 1 7 2986 1 1 22 . HG3 H 5.655 11.860 12.776 1.00 . A A . 22 DBB HG3 1 1 7 2987 1 1 22 . N N 4.198 12.113 10.550 1.00 . A A . 22 DBB N 1 1 7 2988 1 1 22 . O O 6.203 11.850 7.666 1.00 . A A . 22 DBB O 1 1 7 2989 1 1 23 VAL C C 6.143 15.819 7.730 1.00 . A A . 23 VAL C 1 1 7 2990 1 1 23 VAL CA C 5.448 14.503 7.400 1.00 . A A . 23 VAL CA 1 1 7 2991 1 1 23 VAL CB C 4.091 14.805 6.736 1.00 . A A . 23 VAL CB 1 1 7 2992 1 1 23 VAL CG1 C 4.294 15.331 5.323 1.00 . A A . 23 VAL CG1 1 1 7 2993 1 1 23 VAL CG2 C 3.213 13.563 6.729 1.00 . A A . 23 VAL CG2 1 1 7 2994 1 1 23 VAL H H 4.872 14.076 9.392 1.00 . A A . 23 VAL H 1 1 7 2995 1 1 23 VAL HA H 6.055 13.952 6.697 1.00 . A A . 23 VAL HA 1 1 7 2996 1 1 23 VAL HB H 3.593 15.570 7.313 1.00 . A A . 23 VAL HB 1 1 7 2997 1 1 23 VAL HG11 H 4.310 16.411 5.341 1.00 . A A . 23 VAL HG11 1 1 7 2998 1 1 23 VAL HG12 H 5.231 14.963 4.932 1.00 . A A . 23 VAL HG12 1 1 7 2999 1 1 23 VAL HG13 H 3.484 14.994 4.694 1.00 . A A . 23 VAL HG13 1 1 7 3000 1 1 23 VAL HG21 H 3.076 13.213 7.742 1.00 . A A . 23 VAL HG21 1 1 7 3001 1 1 23 VAL HG22 H 2.253 13.803 6.298 1.00 . A A . 23 VAL HG22 1 1 7 3002 1 1 23 VAL HG23 H 3.688 12.789 6.143 1.00 . A A . 23 VAL HG23 1 1 7 3003 1 1 23 VAL N N 5.283 13.682 8.594 1.00 . A A . 23 VAL N 1 1 7 3004 1 1 23 VAL O O 5.948 16.381 8.809 1.00 . A A . 23 VAL O 1 1 7 3005 1 1 24 . C C 8.880 17.331 7.892 1.00 . A A . 24 DBB C 1 1 7 3006 1 1 24 . CA C 7.681 17.543 6.987 1.00 . A A . 24 DBB CA 1 1 7 3007 1 1 24 . CB C 8.152 18.115 5.632 1.00 . A A . 24 DBB CB 1 1 7 3008 1 1 24 . CG C 7.186 17.649 4.543 1.00 . A A . 24 DBB CG 1 1 7 3009 1 1 24 . H H 7.062 15.801 5.956 1.00 . A A . 24 DBB H 1 1 7 3010 1 1 24 . HA H 7.018 18.260 7.446 1.00 . A A . 24 DBB HA 1 1 7 3011 1 1 24 . HB3 H 9.123 17.681 5.426 1.00 . A A . 24 DBB HB3 1 1 7 3012 1 1 24 . HG1 H 7.462 16.658 4.220 1.00 . A A . 24 DBB HG1 1 1 7 3013 1 1 24 . HG2 H 7.232 18.329 3.706 1.00 . A A . 24 DBB HG2 1 1 7 3014 1 1 24 . HG3 H 6.183 17.631 4.943 1.00 . A A . 24 DBB HG3 1 1 7 3015 1 1 24 . N N 6.950 16.302 6.800 1.00 . A A . 24 DBB N 1 1 7 3016 1 1 24 . O O 9.109 16.226 8.385 1.00 . A A . 24 DBB O 1 1 7 3017 1 1 25 LYS C C 10.747 17.159 9.925 1.00 . A A . 25 LYS C 1 1 7 3018 1 1 25 LYS CA C 10.852 18.311 8.930 1.00 . A A . 25 LYS CA 1 1 7 3019 1 1 25 LYS CB C 11.063 19.628 9.680 1.00 . A A . 25 LYS CB 1 1 7 3020 1 1 25 LYS CD C 12.103 21.884 9.304 1.00 . A A . 25 LYS CD 1 1 7 3021 1 1 25 LYS CE C 12.903 22.517 10.433 1.00 . A A . 25 LYS CE 1 1 7 3022 1 1 25 LYS CG C 12.311 20.379 9.250 1.00 . A A . 25 LYS CG 1 1 7 3023 1 1 25 LYS H H 9.424 19.243 7.676 1.00 . A A . 25 LYS H 1 1 7 3024 1 1 25 LYS HA H 11.698 18.135 8.283 1.00 . A A . 25 LYS HA 1 1 7 3025 1 1 25 LYS HB2 H 10.208 20.266 9.509 1.00 . A A . 25 LYS HB2 1 1 7 3026 1 1 25 LYS HB3 H 11.140 19.419 10.737 1.00 . A A . 25 LYS HB3 1 1 7 3027 1 1 25 LYS HD2 H 12.420 22.316 8.367 1.00 . A A . 25 LYS HD2 1 1 7 3028 1 1 25 LYS HD3 H 11.053 22.088 9.460 1.00 . A A . 25 LYS HD3 1 1 7 3029 1 1 25 LYS HE2 H 12.732 21.953 11.337 1.00 . A A . 25 LYS HE2 1 1 7 3030 1 1 25 LYS HE3 H 13.952 22.479 10.178 1.00 . A A . 25 LYS HE3 1 1 7 3031 1 1 25 LYS HG2 H 13.124 20.115 9.910 1.00 . A A . 25 LYS HG2 1 1 7 3032 1 1 25 LYS HG3 H 12.561 20.096 8.238 1.00 . A A . 25 LYS HG3 1 1 7 3033 1 1 25 LYS HZ1 H 12.285 24.084 11.667 1.00 . A A . 25 LYS HZ1 1 1 7 3034 1 1 25 LYS HZ2 H 11.674 24.171 10.092 1.00 . A A . 25 LYS HZ2 1 1 7 3035 1 1 25 LYS HZ3 H 13.289 24.569 10.395 1.00 . A A . 25 LYS HZ3 1 1 7 3036 1 1 25 LYS N N 9.659 18.388 8.096 1.00 . A A . 25 LYS N 1 1 7 3037 1 1 25 LYS NZ N 12.510 23.934 10.663 1.00 . A A . 25 LYS NZ 1 1 7 3038 1 1 25 LYS O O 11.741 16.506 10.239 1.00 . A A . 25 LYS O 1 1 7 3039 1 1 26 GLU C C 9.908 14.531 10.881 1.00 . A A . 26 GLU C 1 1 7 3040 1 1 26 GLU CA C 9.302 15.842 11.374 1.00 . A A . 26 GLU CA 1 1 7 3041 1 1 26 GLU CB C 7.802 15.663 11.617 1.00 . A A . 26 GLU CB 1 1 7 3042 1 1 26 GLU CD C 5.623 16.823 12.152 1.00 . A A . 26 GLU CD 1 1 7 3043 1 1 26 GLU CG C 7.019 16.964 11.577 1.00 . A A . 26 GLU CG 1 1 7 3044 1 1 26 GLU H H 8.782 17.471 10.126 1.00 . A A . 26 GLU H 1 1 7 3045 1 1 26 GLU HA H 9.777 16.117 12.303 1.00 . A A . 26 GLU HA 1 1 7 3046 1 1 26 GLU HB2 H 7.403 15.003 10.860 1.00 . A A . 26 GLU HB2 1 1 7 3047 1 1 26 GLU HB3 H 7.658 15.210 12.587 1.00 . A A . 26 GLU HB3 1 1 7 3048 1 1 26 GLU HG2 H 7.553 17.708 12.149 1.00 . A A . 26 GLU HG2 1 1 7 3049 1 1 26 GLU HG3 H 6.939 17.290 10.551 1.00 . A A . 26 GLU HG3 1 1 7 3050 1 1 26 GLU N N 9.535 16.915 10.415 1.00 . A A . 26 GLU N 1 1 7 3051 1 1 26 GLU O O 10.617 13.846 11.619 1.00 . A A . 26 GLU O 1 1 7 3052 1 1 26 GLU OE1 O 5.491 16.817 13.394 1.00 . A A . 26 GLU OE1 1 1 7 3053 1 1 26 GLU OE2 O 4.663 16.719 11.360 1.00 . A A . 26 GLU OE2 1 1 7 3054 1 1 27 CYS C C 10.925 13.258 7.762 1.00 . A A . 27 CYS C 1 1 7 3055 1 1 27 CYS CA C 10.139 12.960 9.036 1.00 . A A . 27 CYS CA 1 1 7 3056 1 1 27 CYS CB C 8.991 11.997 8.727 1.00 . A A . 27 CYS CB 1 1 7 3057 1 1 27 CYS H H 9.053 14.776 9.090 1.00 . A A . 27 CYS H 1 1 7 3058 1 1 27 CYS HA H 10.802 12.498 9.753 1.00 . A A . 27 CYS HA 1 1 7 3059 1 1 27 CYS HB2 H 8.224 12.528 8.182 1.00 . A A . 27 CYS HB2 1 1 7 3060 1 1 27 CYS HB3 H 9.364 11.188 8.117 1.00 . A A . 27 CYS HB3 1 1 7 3061 1 1 27 CYS N N 9.624 14.188 9.629 1.00 . A A . 27 CYS N 1 1 7 3062 1 1 27 CYS O O 11.673 12.414 7.270 1.00 . A A . 27 CYS O 1 1 7 3063 1 1 27 CYS SG S 8.214 11.267 10.204 1.00 . A A . 27 CYS SG 1 1 7 3064 1 1 28 MET C C 12.155 16.209 6.224 1.00 . A A . 28 MET C 1 1 7 3065 1 1 28 MET CA C 11.441 14.876 6.019 1.00 . A A . 28 MET CA 1 1 7 3066 1 1 28 MET CB C 10.454 14.986 4.856 1.00 . A A . 28 MET CB 1 1 7 3067 1 1 28 MET CE C 9.394 11.831 3.279 1.00 . A A . 28 MET CE 1 1 7 3068 1 1 28 MET CG C 9.278 14.028 4.964 1.00 . A A . 28 MET CG 1 1 7 3069 1 1 28 MET H H 10.139 15.095 7.673 1.00 . A A . 28 MET H 1 1 7 3070 1 1 28 MET HA H 12.176 14.120 5.785 1.00 . A A . 28 MET HA 1 1 7 3071 1 1 28 MET HB2 H 10.067 15.994 4.822 1.00 . A A . 28 MET HB2 1 1 7 3072 1 1 28 MET HB3 H 10.976 14.778 3.934 1.00 . A A . 28 MET HB3 1 1 7 3073 1 1 28 MET HE1 H 9.637 11.591 2.254 1.00 . A A . 28 MET HE1 1 1 7 3074 1 1 28 MET HE2 H 10.291 11.798 3.879 1.00 . A A . 28 MET HE2 1 1 7 3075 1 1 28 MET HE3 H 8.680 11.114 3.658 1.00 . A A . 28 MET HE3 1 1 7 3076 1 1 28 MET HG2 H 9.586 13.165 5.534 1.00 . A A . 28 MET HG2 1 1 7 3077 1 1 28 MET HG3 H 8.471 14.528 5.478 1.00 . A A . 28 MET HG3 1 1 7 3078 1 1 28 MET N N 10.748 14.465 7.235 1.00 . A A . 28 MET N 1 1 7 3079 1 1 28 MET O O 11.529 17.252 6.415 1.00 . A A . 28 MET O 1 1 7 3080 1 1 28 MET SD S 8.684 13.474 3.354 1.00 . A A . 28 MET SD 1 1 7 3081 1 1 29 PRO C C 14.213 18.334 5.184 1.00 . A A . 29 PRO C 1 1 7 3082 1 1 29 PRO CA C 14.322 17.373 6.363 1.00 . A A . 29 PRO CA 1 1 7 3083 1 1 29 PRO CB C 15.742 16.811 6.465 1.00 . A A . 29 PRO CB 1 1 7 3084 1 1 29 PRO CD C 14.307 14.968 5.961 1.00 . A A . 29 PRO CD 1 1 7 3085 1 1 29 PRO CG C 15.689 15.513 5.735 1.00 . A A . 29 PRO CG 1 1 7 3086 1 1 29 PRO HA H 14.073 17.894 7.276 1.00 . A A . 29 PRO HA 1 1 7 3087 1 1 29 PRO HB2 H 16.437 17.498 6.002 1.00 . A A . 29 PRO HB2 1 1 7 3088 1 1 29 PRO HB3 H 16.003 16.670 7.503 1.00 . A A . 29 PRO HB3 1 1 7 3089 1 1 29 PRO HD2 H 13.966 14.430 5.088 1.00 . A A . 29 PRO HD2 1 1 7 3090 1 1 29 PRO HD3 H 14.291 14.327 6.830 1.00 . A A . 29 PRO HD3 1 1 7 3091 1 1 29 PRO HG2 H 15.861 15.677 4.682 1.00 . A A . 29 PRO HG2 1 1 7 3092 1 1 29 PRO HG3 H 16.429 14.837 6.137 1.00 . A A . 29 PRO HG3 1 1 7 3093 1 1 29 PRO N N 13.495 16.176 6.184 1.00 . A A . 29 PRO N 1 1 7 3094 1 1 29 PRO O O 14.624 19.491 5.274 1.00 . A A . 29 PRO O 1 1 7 3095 1 1 30 SER C C 12.298 19.600 3.018 1.00 . A A . 30 SER C 1 1 7 3096 1 1 30 SER CA C 13.495 18.664 2.882 1.00 . A A . 30 SER CA 1 1 7 3097 1 1 30 SER CB C 13.323 17.772 1.651 1.00 . A A . 30 SER CB 1 1 7 3098 1 1 30 SER H H 13.347 16.918 4.070 1.00 . A A . 30 SER H 1 1 7 3099 1 1 30 SER HA H 14.389 19.258 2.763 1.00 . A A . 30 SER HA 1 1 7 3100 1 1 30 SER HB2 H 13.996 16.932 1.722 1.00 . A A . 30 SER HB2 1 1 7 3101 1 1 30 SER HB3 H 12.304 17.415 1.609 1.00 . A A . 30 SER HB3 1 1 7 3102 1 1 30 SER HG H 12.868 18.402 -0.148 1.00 . A A . 30 SER HG 1 1 7 3103 1 1 30 SER N N 13.655 17.848 4.080 1.00 . A A . 30 SER N 1 1 7 3104 1 1 30 SER O O 11.676 19.979 2.025 1.00 . A A . 30 SER O 1 1 7 3105 1 1 30 SER OG O 13.607 18.486 0.460 1.00 . A A . 30 SER OG 1 1 7 3106 1 1 31 CYS C C 11.322 22.309 4.610 1.00 . A A . 31 CYS C 1 1 7 3107 1 1 31 CYS CA C 10.857 20.858 4.523 1.00 . A A . 31 CYS CA 1 1 7 3108 1 1 31 CYS CB C 10.159 20.455 5.824 1.00 . A A . 31 CYS CB 1 1 7 3109 1 1 31 CYS H H 12.513 19.632 5.006 1.00 . A A . 31 CYS H 1 1 7 3110 1 1 31 CYS HA H 10.157 20.766 3.706 1.00 . A A . 31 CYS HA 1 1 7 3111 1 1 31 CYS HB2 H 10.685 19.619 6.261 1.00 . A A . 31 CYS HB2 1 1 7 3112 1 1 31 CYS HB3 H 10.185 21.288 6.510 1.00 . A A . 31 CYS HB3 1 1 7 3113 1 1 31 CYS N N 11.980 19.968 4.254 1.00 . A A . 31 CYS N 1 1 7 3114 1 1 31 CYS O O 12.002 22.697 5.559 1.00 . A A . 31 CYS O 1 1 7 3115 1 1 31 CYS SG S 8.418 19.963 5.612 1.00 . A A . 31 CYS SG 1 1 7 3116 1 1 32 ASN C C 10.148 25.403 3.950 1.00 . A A . 32 ASN C 1 1 7 3117 1 1 32 ASN CA C 11.328 24.512 3.577 1.00 . A A . 32 ASN CA 1 1 7 3118 1 1 32 ASN CB C 11.845 24.887 2.186 1.00 . A A . 32 ASN CB 1 1 7 3119 1 1 32 ASN CG C 13.351 24.751 2.072 1.00 . A A . 32 ASN CG 1 1 7 3120 1 1 32 ASN H H 10.408 22.737 2.884 1.00 . A A . 32 ASN H 1 1 7 3121 1 1 32 ASN HA H 12.119 24.662 4.297 1.00 . A A . 32 ASN HA 1 1 7 3122 1 1 32 ASN HB2 H 11.388 24.240 1.452 1.00 . A A . 32 ASN HB2 1 1 7 3123 1 1 32 ASN HB3 H 11.577 25.911 1.973 1.00 . A A . 32 ASN HB3 1 1 7 3124 1 1 32 ASN HD21 H 13.149 23.583 0.475 1.00 . A A . 32 ASN HD21 1 1 7 3125 1 1 32 ASN HD22 H 14.772 23.895 0.977 1.00 . A A . 32 ASN HD22 1 1 7 3126 1 1 32 ASN N N 10.950 23.105 3.613 1.00 . A A . 32 ASN N 1 1 7 3127 1 1 32 ASN ND2 N 13.803 24.001 1.074 1.00 . A A . 32 ASN ND2 1 1 7 3128 1 1 32 ASN O O 9.055 24.914 4.237 1.00 . A A . 32 ASN O 1 1 7 3129 1 1 32 ASN OD1 O 14.099 25.313 2.873 1.00 . A A . 32 ASN OD1 1 1 8 3130 1 1 1 2KT C1 C -5.208 7.941 20.160 1.00 . A A . 1 2KT C1 1 1 8 3131 1 1 1 2KT C2 C -6.536 7.762 20.172 1.00 . A A . 1 2KT C2 1 1 8 3132 1 1 1 2KT C3 C -7.265 8.460 20.946 1.00 . A A . 1 2KT C3 1 1 8 3133 1 1 1 2KT C4 C -7.857 7.782 21.869 1.00 . A A . 1 2KT C4 1 1 8 3134 1 1 1 2KT H31 H -8.085 8.909 20.590 1.00 . A A . 1 2KT H31 1 1 8 3135 1 1 1 2KT H32 H -6.880 9.256 21.413 1.00 . A A . 1 2KT H32 1 1 8 3136 1 1 1 2KT H41 H -7.331 7.416 22.636 1.00 . A A . 1 2KT H41 1 1 8 3137 1 1 1 2KT H42 H -8.589 8.201 22.406 1.00 . A A . 1 2KT H42 1 1 8 3138 1 1 1 2KT H43 H -8.341 6.938 21.636 1.00 . A A . 1 2KT H43 1 1 8 3139 1 1 1 2KT O1 O -4.730 8.765 20.941 1.00 . A A . 1 2KT O1 1 1 8 3140 1 1 1 2KT O3 O -7.023 6.913 19.421 1.00 . A A . 1 2KT O3 1 1 8 3141 1 1 2 ILE C C -2.629 8.836 19.013 1.00 . A A . 2 ILE C 1 1 8 3142 1 1 2 ILE CA C -3.020 7.381 19.255 1.00 . A A . 2 ILE CA 1 1 8 3143 1 1 2 ILE CB C -2.409 6.506 18.145 1.00 . A A . 2 ILE CB 1 1 8 3144 1 1 2 ILE CD1 C -4.149 7.151 16.403 1.00 . A A . 2 ILE CD1 1 1 8 3145 1 1 2 ILE CG1 C -2.682 7.122 16.771 1.00 . A A . 2 ILE CG1 1 1 8 3146 1 1 2 ILE CG2 C -2.966 5.092 18.218 1.00 . A A . 2 ILE CG2 1 1 8 3147 1 1 2 ILE H H -4.908 6.589 18.718 1.00 . A A . 2 ILE H 1 1 8 3148 1 1 2 ILE HA H -2.612 7.063 20.203 1.00 . A A . 2 ILE HA 1 1 8 3149 1 1 2 ILE HB H -1.342 6.456 18.303 1.00 . A A . 2 ILE HB 1 1 8 3150 1 1 2 ILE HD11 H -4.249 7.249 15.331 1.00 . A A . 2 ILE HD11 1 1 8 3151 1 1 2 ILE HD12 H -4.619 6.233 16.724 1.00 . A A . 2 ILE HD12 1 1 8 3152 1 1 2 ILE HD13 H -4.626 7.989 16.886 1.00 . A A . 2 ILE HD13 1 1 8 3153 1 1 2 ILE HG12 H -2.318 8.137 16.759 1.00 . A A . 2 ILE HG12 1 1 8 3154 1 1 2 ILE HG13 H -2.161 6.548 16.018 1.00 . A A . 2 ILE HG13 1 1 8 3155 1 1 2 ILE HG21 H -2.187 4.415 18.535 1.00 . A A . 2 ILE HG21 1 1 8 3156 1 1 2 ILE HG22 H -3.779 5.063 18.927 1.00 . A A . 2 ILE HG22 1 1 8 3157 1 1 2 ILE HG23 H -3.326 4.796 17.244 1.00 . A A . 2 ILE HG23 1 1 8 3158 1 1 2 ILE N N -4.469 7.230 19.315 1.00 . A A . 2 ILE N 1 1 8 3159 1 1 2 ILE O O -3.488 9.687 18.779 1.00 . A A . 2 ILE O 1 1 8 3160 1 1 3 . C C -0.203 10.994 20.140 1.00 . A A . 3 DBB C 1 1 8 3161 1 1 3 . CA C -0.827 10.455 18.866 1.00 . A A . 3 DBB CA 1 1 8 3162 1 1 3 . CB C 0.215 10.482 17.729 1.00 . A A . 3 DBB CB 1 1 8 3163 1 1 3 . CG C -0.374 9.777 16.507 1.00 . A A . 3 DBB CG 1 1 8 3164 1 1 3 . H H -0.700 8.379 19.263 1.00 . A A . 3 DBB H 1 1 8 3165 1 1 3 . HA H -1.654 11.089 18.585 1.00 . A A . 3 DBB HA 1 1 8 3166 1 1 3 . HB3 H 1.069 9.906 18.068 1.00 . A A . 3 DBB HB3 1 1 8 3167 1 1 3 . HG1 H -0.404 8.714 16.687 1.00 . A A . 3 DBB HG1 1 1 8 3168 1 1 3 . HG2 H 0.238 9.982 15.643 1.00 . A A . 3 DBB HG2 1 1 8 3169 1 1 3 . HG3 H -1.377 10.142 16.338 1.00 . A A . 3 DBB HG3 1 1 8 3170 1 1 3 . N N -1.337 9.109 19.070 1.00 . A A . 3 DBB N 1 1 8 3171 1 1 3 . O O 0.875 11.589 20.109 1.00 . A A . 3 DBB O 1 1 8 3172 1 1 4 LEU C C 1.116 11.305 22.587 1.00 . A A . 4 LEU C 1 1 8 3173 1 1 4 LEU CA C -0.409 11.290 22.547 1.00 . A A . 4 LEU CA 1 1 8 3174 1 1 4 LEU CB C -0.952 10.419 23.681 1.00 . A A . 4 LEU CB 1 1 8 3175 1 1 4 LEU CD1 C -3.244 9.773 22.898 1.00 . A A . 4 LEU CD1 1 1 8 3176 1 1 4 LEU CD2 C -2.782 10.009 25.345 1.00 . A A . 4 LEU CD2 1 1 8 3177 1 1 4 LEU CG C -2.452 10.530 23.954 1.00 . A A . 4 LEU CG 1 1 8 3178 1 1 4 LEU H H -1.743 10.320 21.221 1.00 . A A . 4 LEU H 1 1 8 3179 1 1 4 LEU HA H -0.770 12.300 22.675 1.00 . A A . 4 LEU HA 1 1 8 3180 1 1 4 LEU HB2 H -0.735 9.390 23.440 1.00 . A A . 4 LEU HB2 1 1 8 3181 1 1 4 LEU HB3 H -0.429 10.692 24.587 1.00 . A A . 4 LEU HB3 1 1 8 3182 1 1 4 LEU HD11 H -3.533 10.452 22.110 1.00 . A A . 4 LEU HD11 1 1 8 3183 1 1 4 LEU HD12 H -4.127 9.346 23.348 1.00 . A A . 4 LEU HD12 1 1 8 3184 1 1 4 LEU HD13 H -2.632 8.983 22.487 1.00 . A A . 4 LEU HD13 1 1 8 3185 1 1 4 LEU HD21 H -3.408 9.133 25.262 1.00 . A A . 4 LEU HD21 1 1 8 3186 1 1 4 LEU HD22 H -3.303 10.774 25.901 1.00 . A A . 4 LEU HD22 1 1 8 3187 1 1 4 LEU HD23 H -1.867 9.751 25.859 1.00 . A A . 4 LEU HD23 1 1 8 3188 1 1 4 LEU HG H -2.744 11.570 23.907 1.00 . A A . 4 LEU HG 1 1 8 3189 1 1 4 LEU N N -0.891 10.802 21.260 1.00 . A A . 4 LEU N 1 1 8 3190 1 1 4 LEU O O 1.753 10.304 22.244 1.00 . A A . 4 LEU O 1 1 8 3191 1 1 5 DHA C C 3.694 13.638 22.444 1.00 . A A . 5 DHA C 1 1 8 3192 1 1 5 DHA CA C 3.044 12.560 23.086 1.00 . A A . 5 DHA CA 1 1 8 3193 1 1 5 DHA CB C 3.756 11.681 23.801 1.00 . A A . 5 DHA CB 1 1 8 3194 1 1 5 DHA H H 1.070 13.157 23.249 1.00 . A A . 5 DHA H 1 1 8 3195 1 1 5 DHA HB1 H 3.260 10.862 24.302 1.00 . A A . 5 DHA HB1 1 1 8 3196 1 1 5 DHA HB2 H 4.818 11.806 23.905 1.00 . A A . 5 DHA HB2 1 1 8 3197 1 1 5 DHA N N 1.681 12.435 23.006 1.00 . A A . 5 DHA N 1 1 8 3198 1 1 5 DHA O O 3.620 14.787 22.891 1.00 . A A . 5 DHA O 1 1 8 3199 1 1 6 DBU C C 4.471 14.571 19.143 1.00 . A A . 6 DBU C 1 1 8 3200 1 1 6 DBU CA C 4.899 14.329 20.580 1.00 . A A . 6 DBU CA 1 1 8 3201 1 1 6 DBU CB C 5.859 15.086 21.133 1.00 . A A . 6 DBU CB 1 1 8 3202 1 1 6 DBU CG C 6.261 14.828 22.556 1.00 . A A . 6 DBU CG 1 1 8 3203 1 1 6 DBU H1 H 4.300 12.394 21.035 1.00 . A A . 6 DBU H1 1 1 8 3204 1 1 6 DBU HB1 H 6.336 15.865 20.556 1.00 . A A . 6 DBU HB1 1 1 8 3205 1 1 6 DBU HG1 H 6.039 13.804 22.813 1.00 . A A . 6 DBU HG1 1 1 8 3206 1 1 6 DBU HG2 H 5.711 15.482 23.212 1.00 . A A . 6 DBU HG2 1 1 8 3207 1 1 6 DBU HG3 H 7.321 15.010 22.663 1.00 . A A . 6 DBU HG3 1 1 8 3208 1 1 6 DBU N N 4.297 13.340 21.299 1.00 . A A . 6 DBU N 1 1 8 3209 1 1 6 DBU O O 4.964 15.480 18.474 1.00 . A A . 6 DBU O 1 1 8 3210 1 1 7 CYS C C 2.014 14.892 17.153 1.00 . A A . 7 CYS C 1 1 8 3211 1 1 7 CYS CA C 3.091 13.819 17.285 1.00 . A A . 7 CYS CA 1 1 8 3212 1 1 7 CYS CB C 2.540 12.468 16.822 1.00 . A A . 7 CYS CB 1 1 8 3213 1 1 7 CYS H H 3.211 13.022 19.242 1.00 . A A . 7 CYS H 1 1 8 3214 1 1 7 CYS HA H 3.929 14.089 16.661 1.00 . A A . 7 CYS HA 1 1 8 3215 1 1 7 CYS HB2 H 2.576 12.425 15.743 1.00 . A A . 7 CYS HB2 1 1 8 3216 1 1 7 CYS HB3 H 3.155 11.679 17.229 1.00 . A A . 7 CYS HB3 1 1 8 3217 1 1 7 CYS N N 3.567 13.726 18.660 1.00 . A A . 7 CYS N 1 1 8 3218 1 1 7 CYS O O 2.042 15.704 16.229 1.00 . A A . 7 CYS O 1 1 8 3219 1 1 7 CYS SG S 0.820 12.153 17.331 1.00 . A A . 7 CYS SG 1 1 8 3220 1 1 8 ALA C C 0.449 17.210 18.613 1.00 . A A . 8 ALA C 1 1 8 3221 1 1 8 ALA CA C -0.018 15.862 18.075 1.00 . A A . 8 ALA CA 1 1 8 3222 1 1 8 ALA CB C -1.198 15.347 18.886 1.00 . A A . 8 ALA CB 1 1 8 3223 1 1 8 ALA H H 1.098 14.216 18.796 1.00 . A A . 8 ALA H 1 1 8 3224 1 1 8 ALA HA H -0.344 15.988 17.052 1.00 . A A . 8 ALA HA 1 1 8 3225 1 1 8 ALA HB1 H -0.953 15.384 19.938 1.00 . A A . 8 ALA HB1 1 1 8 3226 1 1 8 ALA HB2 H -2.063 15.964 18.696 1.00 . A A . 8 ALA HB2 1 1 8 3227 1 1 8 ALA HB3 H -1.412 14.328 18.602 1.00 . A A . 8 ALA HB3 1 1 8 3228 1 1 8 ALA N N 1.066 14.888 18.085 1.00 . A A . 8 ALA N 1 1 8 3229 1 1 8 ALA O O -0.331 18.158 18.701 1.00 . A A . 8 ALA O 1 1 8 3230 1 1 9 ILE C C 2.994 19.318 18.408 1.00 . A A . 9 ILE C 1 1 8 3231 1 1 9 ILE CA C 2.296 18.520 19.503 1.00 . A A . 9 ILE CA 1 1 8 3232 1 1 9 ILE CB C 3.302 18.234 20.634 1.00 . A A . 9 ILE CB 1 1 8 3233 1 1 9 ILE CD1 C 3.411 17.383 23.031 1.00 . A A . 9 ILE CD1 1 1 8 3234 1 1 9 ILE CG1 C 2.648 17.382 21.725 1.00 . A A . 9 ILE CG1 1 1 8 3235 1 1 9 ILE CG2 C 3.828 19.537 21.217 1.00 . A A . 9 ILE CG2 1 1 8 3236 1 1 9 ILE H H 2.298 16.497 18.880 1.00 . A A . 9 ILE H 1 1 8 3237 1 1 9 ILE HA H 1.489 19.113 19.908 1.00 . A A . 9 ILE HA 1 1 8 3238 1 1 9 ILE HB H 4.136 17.692 20.216 1.00 . A A . 9 ILE HB 1 1 8 3239 1 1 9 ILE HD11 H 4.423 17.046 22.856 1.00 . A A . 9 ILE HD11 1 1 8 3240 1 1 9 ILE HD12 H 3.432 18.384 23.436 1.00 . A A . 9 ILE HD12 1 1 8 3241 1 1 9 ILE HD13 H 2.927 16.720 23.731 1.00 . A A . 9 ILE HD13 1 1 8 3242 1 1 9 ILE HG12 H 1.657 17.759 21.921 1.00 . A A . 9 ILE HG12 1 1 8 3243 1 1 9 ILE HG13 H 2.579 16.361 21.380 1.00 . A A . 9 ILE HG13 1 1 8 3244 1 1 9 ILE HG21 H 3.003 20.120 21.598 1.00 . A A . 9 ILE HG21 1 1 8 3245 1 1 9 ILE HG22 H 4.516 19.320 22.020 1.00 . A A . 9 ILE HG22 1 1 8 3246 1 1 9 ILE HG23 H 4.339 20.096 20.447 1.00 . A A . 9 ILE HG23 1 1 8 3247 1 1 9 ILE N N 1.726 17.287 18.974 1.00 . A A . 9 ILE N 1 1 8 3248 1 1 9 ILE O O 2.788 20.526 18.278 1.00 . A A . 9 ILE O 1 1 8 3249 1 1 10 LEU C C 3.813 19.103 15.206 1.00 . A A . 10 LEU C 1 1 8 3250 1 1 10 LEU CA C 4.545 19.281 16.532 1.00 . A A . 10 LEU CA 1 1 8 3251 1 1 10 LEU CB C 5.960 18.708 16.428 1.00 . A A . 10 LEU CB 1 1 8 3252 1 1 10 LEU CD1 C 6.901 21.026 16.582 1.00 . A A . 10 LEU CD1 1 1 8 3253 1 1 10 LEU CD2 C 8.423 19.088 16.157 1.00 . A A . 10 LEU CD2 1 1 8 3254 1 1 10 LEU CG C 7.036 19.666 15.916 1.00 . A A . 10 LEU CG 1 1 8 3255 1 1 10 LEU H H 3.941 17.676 17.772 1.00 . A A . 10 LEU H 1 1 8 3256 1 1 10 LEU HA H 4.609 20.336 16.756 1.00 . A A . 10 LEU HA 1 1 8 3257 1 1 10 LEU HB2 H 6.255 18.375 17.412 1.00 . A A . 10 LEU HB2 1 1 8 3258 1 1 10 LEU HB3 H 5.924 17.860 15.759 1.00 . A A . 10 LEU HB3 1 1 8 3259 1 1 10 LEU HD11 H 7.880 21.460 16.716 1.00 . A A . 10 LEU HD11 1 1 8 3260 1 1 10 LEU HD12 H 6.422 20.911 17.543 1.00 . A A . 10 LEU HD12 1 1 8 3261 1 1 10 LEU HD13 H 6.302 21.674 15.958 1.00 . A A . 10 LEU HD13 1 1 8 3262 1 1 10 LEU HD21 H 8.926 18.953 15.211 1.00 . A A . 10 LEU HD21 1 1 8 3263 1 1 10 LEU HD22 H 8.333 18.135 16.657 1.00 . A A . 10 LEU HD22 1 1 8 3264 1 1 10 LEU HD23 H 8.993 19.766 16.775 1.00 . A A . 10 LEU HD23 1 1 8 3265 1 1 10 LEU HG H 6.910 19.802 14.851 1.00 . A A . 10 LEU HG 1 1 8 3266 1 1 10 LEU N N 3.818 18.636 17.620 1.00 . A A . 10 LEU N 1 1 8 3267 1 1 10 LEU O O 4.408 19.209 14.133 1.00 . A A . 10 LEU O 1 1 8 3268 1 1 11 DAL C C 1.604 19.926 13.279 1.00 . A A . 11 DAL C 1 1 8 3269 1 1 11 DAL CA C 1.711 18.637 14.094 1.00 . A A . 11 DAL CA 1 1 8 3270 1 1 11 DAL CB C 2.310 17.531 13.231 1.00 . A A . 11 DAL CB 1 1 8 3271 1 1 11 DAL H H 2.095 18.759 16.167 1.00 . A A . 11 DAL H 1 1 8 3272 1 1 11 DAL HA H 0.723 18.338 14.410 1.00 . A A . 11 DAL HA 1 1 8 3273 1 1 11 DAL HB2 H 3.212 17.171 13.702 1.00 . A A . 11 DAL HB2 1 1 8 3274 1 1 11 DAL HB3 H 2.558 17.939 12.257 1.00 . A A . 11 DAL HB3 1 1 8 3275 1 1 11 DAL N N 2.521 18.834 15.285 1.00 . A A . 11 DAL N 1 1 8 3276 1 1 11 DAL O O 2.319 20.897 13.528 1.00 . A A . 11 DAL O 1 1 8 3277 1 1 12 LYS C C -0.982 21.304 11.167 1.00 . A A . 12 LYS C 1 1 8 3278 1 1 12 LYS CA C 0.502 21.085 11.444 1.00 . A A . 12 LYS CA 1 1 8 3279 1 1 12 LYS CB C 1.258 20.910 10.124 1.00 . A A . 12 LYS CB 1 1 8 3280 1 1 12 LYS CD C 1.507 19.580 8.008 1.00 . A A . 12 LYS CD 1 1 8 3281 1 1 12 LYS CE C 2.032 20.822 7.304 1.00 . A A . 12 LYS CE 1 1 8 3282 1 1 12 LYS CG C 0.590 19.941 9.165 1.00 . A A . 12 LYS CG 1 1 8 3283 1 1 12 LYS H H 0.165 19.118 12.151 1.00 . A A . 12 LYS H 1 1 8 3284 1 1 12 LYS HA H 0.891 21.949 11.960 1.00 . A A . 12 LYS HA 1 1 8 3285 1 1 12 LYS HB2 H 1.334 21.871 9.638 1.00 . A A . 12 LYS HB2 1 1 8 3286 1 1 12 LYS HB3 H 2.252 20.544 10.338 1.00 . A A . 12 LYS HB3 1 1 8 3287 1 1 12 LYS HD2 H 2.345 19.014 8.388 1.00 . A A . 12 LYS HD2 1 1 8 3288 1 1 12 LYS HD3 H 0.957 18.979 7.298 1.00 . A A . 12 LYS HD3 1 1 8 3289 1 1 12 LYS HE2 H 1.280 21.594 7.356 1.00 . A A . 12 LYS HE2 1 1 8 3290 1 1 12 LYS HE3 H 2.925 21.156 7.811 1.00 . A A . 12 LYS HE3 1 1 8 3291 1 1 12 LYS HG2 H 0.331 19.040 9.700 1.00 . A A . 12 LYS HG2 1 1 8 3292 1 1 12 LYS HG3 H -0.307 20.399 8.771 1.00 . A A . 12 LYS HG3 1 1 8 3293 1 1 12 LYS HZ1 H 1.484 20.360 5.342 1.00 . A A . 12 LYS HZ1 1 1 8 3294 1 1 12 LYS HZ2 H 2.986 19.731 5.801 1.00 . A A . 12 LYS HZ2 1 1 8 3295 1 1 12 LYS HZ3 H 2.830 21.379 5.456 1.00 . A A . 12 LYS HZ3 1 1 8 3296 1 1 12 LYS N N 0.706 19.922 12.300 1.00 . A A . 12 LYS N 1 1 8 3297 1 1 12 LYS NZ N 2.355 20.554 5.876 1.00 . A A . 12 LYS NZ 1 1 8 3298 1 1 12 LYS O O -1.785 20.371 11.182 1.00 . A A . 12 LYS O 1 1 8 3299 1 1 13 PRO C C -3.216 22.412 9.267 1.00 . A A . 13 PRO C 1 1 8 3300 1 1 13 PRO CA C -2.745 22.935 10.620 1.00 . A A . 13 PRO CA 1 1 8 3301 1 1 13 PRO CB C -2.712 24.466 10.619 1.00 . A A . 13 PRO CB 1 1 8 3302 1 1 13 PRO CD C -0.452 23.727 10.872 1.00 . A A . 13 PRO CD 1 1 8 3303 1 1 13 PRO CG C -1.304 24.814 10.277 1.00 . A A . 13 PRO CG 1 1 8 3304 1 1 13 PRO HA H -3.416 22.588 11.392 1.00 . A A . 13 PRO HA 1 1 8 3305 1 1 13 PRO HB2 H -3.404 24.843 9.880 1.00 . A A . 13 PRO HB2 1 1 8 3306 1 1 13 PRO HB3 H -2.983 24.835 11.597 1.00 . A A . 13 PRO HB3 1 1 8 3307 1 1 13 PRO HD2 H 0.404 23.531 10.244 1.00 . A A . 13 PRO HD2 1 1 8 3308 1 1 13 PRO HD3 H -0.137 23.999 11.869 1.00 . A A . 13 PRO HD3 1 1 8 3309 1 1 13 PRO HG2 H -1.183 24.840 9.205 1.00 . A A . 13 PRO HG2 1 1 8 3310 1 1 13 PRO HG3 H -1.048 25.770 10.708 1.00 . A A . 13 PRO HG3 1 1 8 3311 1 1 13 PRO N N -1.356 22.565 10.907 1.00 . A A . 13 PRO N 1 1 8 3312 1 1 13 PRO O O -2.410 21.987 8.439 1.00 . A A . 13 PRO O 1 1 8 3313 1 1 14 LEU C C -4.518 20.628 7.395 1.00 . A A . 14 LEU C 1 1 8 3314 1 1 14 LEU CA C -5.105 21.978 7.794 1.00 . A A . 14 LEU CA 1 1 8 3315 1 1 14 LEU CB C -4.864 23.000 6.683 1.00 . A A . 14 LEU CB 1 1 8 3316 1 1 14 LEU CD1 C -3.375 23.538 4.739 1.00 . A A . 14 LEU CD1 1 1 8 3317 1 1 14 LEU CD2 C -2.677 24.169 7.056 1.00 . A A . 14 LEU CD2 1 1 8 3318 1 1 14 LEU CG C -3.418 23.146 6.207 1.00 . A A . 14 LEU CG 1 1 8 3319 1 1 14 LEU H H -5.119 22.798 9.745 1.00 . A A . 14 LEU H 1 1 8 3320 1 1 14 LEU HA H -6.169 21.864 7.943 1.00 . A A . 14 LEU HA 1 1 8 3321 1 1 14 LEU HB2 H -5.463 22.713 5.833 1.00 . A A . 14 LEU HB2 1 1 8 3322 1 1 14 LEU HB3 H -5.192 23.964 7.044 1.00 . A A . 14 LEU HB3 1 1 8 3323 1 1 14 LEU HD11 H -2.367 23.810 4.468 1.00 . A A . 14 LEU HD11 1 1 8 3324 1 1 14 LEU HD12 H -4.032 24.379 4.572 1.00 . A A . 14 LEU HD12 1 1 8 3325 1 1 14 LEU HD13 H -3.699 22.704 4.134 1.00 . A A . 14 LEU HD13 1 1 8 3326 1 1 14 LEU HD21 H -1.719 23.767 7.350 1.00 . A A . 14 LEU HD21 1 1 8 3327 1 1 14 LEU HD22 H -3.259 24.393 7.938 1.00 . A A . 14 LEU HD22 1 1 8 3328 1 1 14 LEU HD23 H -2.529 25.073 6.483 1.00 . A A . 14 LEU HD23 1 1 8 3329 1 1 14 LEU HG H -2.913 22.195 6.312 1.00 . A A . 14 LEU HG 1 1 8 3330 1 1 14 LEU N N -4.526 22.448 9.048 1.00 . A A . 14 LEU N 1 1 8 3331 1 1 14 LEU O O -3.754 20.025 8.148 1.00 . A A . 14 LEU O 1 1 8 3332 1 1 15 GLY C C -5.236 17.719 6.170 1.00 . A A . 15 GLY C 1 1 8 3333 1 1 15 GLY CA C -4.376 18.885 5.725 1.00 . A A . 15 GLY CA 1 1 8 3334 1 1 15 GLY H H -5.491 20.684 5.647 1.00 . A A . 15 GLY H 1 1 8 3335 1 1 15 GLY HA2 H -4.346 18.906 4.646 1.00 . A A . 15 GLY HA2 1 1 8 3336 1 1 15 GLY HA3 H -3.374 18.742 6.101 1.00 . A A . 15 GLY HA3 1 1 8 3337 1 1 15 GLY N N -4.879 20.160 6.204 1.00 . A A . 15 GLY N 1 1 8 3338 1 1 15 GLY O O -4.942 17.069 7.172 1.00 . A A . 15 GLY O 1 1 8 3339 1 1 16 ASN C C -7.675 16.449 7.198 1.00 . A A . 16 ASN C 1 1 8 3340 1 1 16 ASN CA C -7.211 16.359 5.747 1.00 . A A . 16 ASN CA 1 1 8 3341 1 1 16 ASN CB C -6.527 15.013 5.502 1.00 . A A . 16 ASN CB 1 1 8 3342 1 1 16 ASN CG C -6.937 13.962 6.516 1.00 . A A . 16 ASN CG 1 1 8 3343 1 1 16 ASN H H -6.486 18.008 4.635 1.00 . A A . 16 ASN H 1 1 8 3344 1 1 16 ASN HA H -8.071 16.439 5.100 1.00 . A A . 16 ASN HA 1 1 8 3345 1 1 16 ASN HB2 H -6.790 14.656 4.517 1.00 . A A . 16 ASN HB2 1 1 8 3346 1 1 16 ASN HB3 H -5.456 15.143 5.559 1.00 . A A . 16 ASN HB3 1 1 8 3347 1 1 16 ASN HD21 H -8.700 13.750 5.619 1.00 . A A . 16 ASN HD21 1 1 8 3348 1 1 16 ASN HD22 H -8.438 12.755 7.007 1.00 . A A . 16 ASN HD22 1 1 8 3349 1 1 16 ASN N N -6.304 17.454 5.423 1.00 . A A . 16 ASN N 1 1 8 3350 1 1 16 ASN ND2 N -8.147 13.436 6.365 1.00 . A A . 16 ASN ND2 1 1 8 3351 1 1 16 ASN O O -7.173 17.263 7.971 1.00 . A A . 16 ASN O 1 1 8 3352 1 1 16 ASN OD1 O -6.175 13.628 7.423 1.00 . A A . 16 ASN OD1 1 1 8 3353 1 1 17 ASN C C -8.043 15.652 9.944 1.00 . A A . 17 ASN C 1 1 8 3354 1 1 17 ASN CA C -9.169 15.590 8.917 1.00 . A A . 17 ASN CA 1 1 8 3355 1 1 17 ASN CB C -10.011 14.332 9.142 1.00 . A A . 17 ASN CB 1 1 8 3356 1 1 17 ASN CG C -9.161 13.083 9.275 1.00 . A A . 17 ASN CG 1 1 8 3357 1 1 17 ASN H H -8.997 14.979 6.897 1.00 . A A . 17 ASN H 1 1 8 3358 1 1 17 ASN HA H -9.798 16.459 9.036 1.00 . A A . 17 ASN HA 1 1 8 3359 1 1 17 ASN HB2 H -10.588 14.450 10.048 1.00 . A A . 17 ASN HB2 1 1 8 3360 1 1 17 ASN HB3 H -10.683 14.201 8.307 1.00 . A A . 17 ASN HB3 1 1 8 3361 1 1 17 ASN HD21 H -10.319 12.126 7.973 1.00 . A A . 17 ASN HD21 1 1 8 3362 1 1 17 ASN HD22 H -8.998 11.216 8.614 1.00 . A A . 17 ASN HD22 1 1 8 3363 1 1 17 ASN N N -8.637 15.606 7.559 1.00 . A A . 17 ASN N 1 1 8 3364 1 1 17 ASN ND2 N -9.530 12.036 8.547 1.00 . A A . 17 ASN ND2 1 1 8 3365 1 1 17 ASN O O -8.231 16.139 11.058 1.00 . A A . 17 ASN O 1 1 8 3366 1 1 17 ASN OD1 O -8.183 13.062 10.023 1.00 . A A . 17 ASN OD1 1 1 8 3367 1 1 18 GLY C C -5.286 13.768 10.843 1.00 . A A . 18 GLY C 1 1 8 3368 1 1 18 GLY CA C -5.731 15.165 10.458 1.00 . A A . 18 GLY CA 1 1 8 3369 1 1 18 GLY H H -6.779 14.780 8.659 1.00 . A A . 18 GLY H 1 1 8 3370 1 1 18 GLY HA2 H -4.910 15.673 9.974 1.00 . A A . 18 GLY HA2 1 1 8 3371 1 1 18 GLY HA3 H -5.998 15.705 11.354 1.00 . A A . 18 GLY HA3 1 1 8 3372 1 1 18 GLY N N -6.871 15.156 9.559 1.00 . A A . 18 GLY N 1 1 8 3373 1 1 18 GLY O O -5.717 13.231 11.864 1.00 . A A . 18 GLY O 1 1 8 3374 1 1 19 TYR C C -2.727 11.869 11.233 1.00 . A A . 19 TYR C 1 1 8 3375 1 1 19 TYR CA C -3.921 11.832 10.284 1.00 . A A . 19 TYR CA 1 1 8 3376 1 1 19 TYR CB C -3.525 11.152 8.973 1.00 . A A . 19 TYR CB 1 1 8 3377 1 1 19 TYR CD1 C -4.862 9.031 9.277 1.00 . A A . 19 TYR CD1 1 1 8 3378 1 1 19 TYR CD2 C -2.538 8.835 8.784 1.00 . A A . 19 TYR CD2 1 1 8 3379 1 1 19 TYR CE1 C -4.975 7.655 9.315 1.00 . A A . 19 TYR CE1 1 1 8 3380 1 1 19 TYR CE2 C -2.642 7.458 8.818 1.00 . A A . 19 TYR CE2 1 1 8 3381 1 1 19 TYR CG C -3.644 9.645 9.012 1.00 . A A . 19 TYR CG 1 1 8 3382 1 1 19 TYR CZ C -3.863 6.873 9.085 1.00 . A A . 19 TYR CZ 1 1 8 3383 1 1 19 TYR H H -4.115 13.656 9.227 1.00 . A A . 19 TYR H 1 1 8 3384 1 1 19 TYR HA H -4.716 11.266 10.746 1.00 . A A . 19 TYR HA 1 1 8 3385 1 1 19 TYR HB2 H -4.162 11.514 8.181 1.00 . A A . 19 TYR HB2 1 1 8 3386 1 1 19 TYR HB3 H -2.498 11.398 8.744 1.00 . A A . 19 TYR HB3 1 1 8 3387 1 1 19 TYR HD1 H -5.731 9.647 9.457 1.00 . A A . 19 TYR HD1 1 1 8 3388 1 1 19 TYR HD2 H -1.584 9.296 8.575 1.00 . A A . 19 TYR HD2 1 1 8 3389 1 1 19 TYR HE1 H -5.931 7.197 9.523 1.00 . A A . 19 TYR HE1 1 1 8 3390 1 1 19 TYR HE2 H -1.772 6.845 8.638 1.00 . A A . 19 TYR HE2 1 1 8 3391 1 1 19 TYR HH H -4.789 5.235 8.693 1.00 . A A . 19 TYR HH 1 1 8 3392 1 1 19 TYR N N -4.422 13.177 10.025 1.00 . A A . 19 TYR N 1 1 8 3393 1 1 19 TYR O O -2.368 12.924 11.758 1.00 . A A . 19 TYR O 1 1 8 3394 1 1 19 TYR OH O -3.972 5.502 9.120 1.00 . A A . 19 TYR OH 1 1 8 3395 1 1 20 LEU C C 0.102 11.639 11.964 1.00 . A A . 20 LEU C 1 1 8 3396 1 1 20 LEU CA C -0.959 10.607 12.332 1.00 . A A . 20 LEU CA 1 1 8 3397 1 1 20 LEU CB C -0.363 9.200 12.263 1.00 . A A . 20 LEU CB 1 1 8 3398 1 1 20 LEU CD1 C -0.742 6.739 11.971 1.00 . A A . 20 LEU CD1 1 1 8 3399 1 1 20 LEU CD2 C -1.739 7.931 13.931 1.00 . A A . 20 LEU CD2 1 1 8 3400 1 1 20 LEU CG C -1.345 8.045 12.466 1.00 . A A . 20 LEU CG 1 1 8 3401 1 1 20 LEU H H -2.446 9.904 11.000 1.00 . A A . 20 LEU H 1 1 8 3402 1 1 20 LEU HA H -1.296 10.798 13.340 1.00 . A A . 20 LEU HA 1 1 8 3403 1 1 20 LEU HB2 H 0.092 9.080 11.292 1.00 . A A . 20 LEU HB2 1 1 8 3404 1 1 20 LEU HB3 H 0.398 9.126 13.027 1.00 . A A . 20 LEU HB3 1 1 8 3405 1 1 20 LEU HD11 H -1.357 5.913 12.295 1.00 . A A . 20 LEU HD11 1 1 8 3406 1 1 20 LEU HD12 H 0.254 6.627 12.374 1.00 . A A . 20 LEU HD12 1 1 8 3407 1 1 20 LEU HD13 H -0.694 6.751 10.892 1.00 . A A . 20 LEU HD13 1 1 8 3408 1 1 20 LEU HD21 H -2.313 7.028 14.080 1.00 . A A . 20 LEU HD21 1 1 8 3409 1 1 20 LEU HD22 H -2.336 8.787 14.210 1.00 . A A . 20 LEU HD22 1 1 8 3410 1 1 20 LEU HD23 H -0.849 7.898 14.542 1.00 . A A . 20 LEU HD23 1 1 8 3411 1 1 20 LEU HG H -2.241 8.237 11.891 1.00 . A A . 20 LEU HG 1 1 8 3412 1 1 20 LEU N N -2.115 10.710 11.447 1.00 . A A . 20 LEU N 1 1 8 3413 1 1 20 LEU O O 0.453 11.794 10.794 1.00 . A A . 20 LEU O 1 1 8 3414 1 1 21 CYS C C 3.030 12.759 12.878 1.00 . A A . 21 CYS C 1 1 8 3415 1 1 21 CYS CA C 1.632 13.359 12.755 1.00 . A A . 21 CYS CA 1 1 8 3416 1 1 21 CYS CB C 1.465 14.501 13.758 1.00 . A A . 21 CYS CB 1 1 8 3417 1 1 21 CYS H H 0.289 12.173 13.882 1.00 . A A . 21 CYS H 1 1 8 3418 1 1 21 CYS HA H 1.508 13.748 11.756 1.00 . A A . 21 CYS HA 1 1 8 3419 1 1 21 CYS HB2 H 0.611 14.296 14.386 1.00 . A A . 21 CYS HB2 1 1 8 3420 1 1 21 CYS HB3 H 2.351 14.562 14.373 1.00 . A A . 21 CYS HB3 1 1 8 3421 1 1 21 CYS N N 0.610 12.342 12.971 1.00 . A A . 21 CYS N 1 1 8 3422 1 1 21 CYS O O 3.192 11.538 12.894 1.00 . A A . 21 CYS O 1 1 8 3423 1 1 21 CYS SG S 1.208 16.133 12.991 1.00 . A A . 21 CYS SG 1 1 8 3424 1 1 22 . C C 5.902 12.602 11.766 1.00 . A A . 22 DBB C 1 1 8 3425 1 1 22 . CA C 5.411 13.186 13.077 1.00 . A A . 22 DBB CA 1 1 8 3426 1 1 22 . CB C 6.325 14.358 13.494 1.00 . A A . 22 DBB CB 1 1 8 3427 1 1 22 . CG C 5.735 15.021 14.739 1.00 . A A . 22 DBB CG 1 1 8 3428 1 1 22 . H H 3.831 14.588 12.945 1.00 . A A . 22 DBB H 1 1 8 3429 1 1 22 . HA H 5.464 12.426 13.842 1.00 . A A . 22 DBB HA 1 1 8 3430 1 1 22 . HB3 H 6.301 15.081 12.687 1.00 . A A . 22 DBB HB3 1 1 8 3431 1 1 22 . HG1 H 4.815 15.519 14.477 1.00 . A A . 22 DBB HG1 1 1 8 3432 1 1 22 . HG2 H 6.437 15.738 15.132 1.00 . A A . 22 DBB HG2 1 1 8 3433 1 1 22 . HG3 H 5.534 14.262 15.482 1.00 . A A . 22 DBB HG3 1 1 8 3434 1 1 22 . N N 4.029 13.621 12.964 1.00 . A A . 22 DBB N 1 1 8 3435 1 1 22 . O O 6.682 11.650 11.755 1.00 . A A . 22 DBB O 1 1 8 3436 1 1 23 VAL C C 6.302 13.820 8.454 1.00 . A A . 23 VAL C 1 1 8 3437 1 1 23 VAL CA C 5.807 12.678 9.335 1.00 . A A . 23 VAL CA 1 1 8 3438 1 1 23 VAL CB C 4.627 11.978 8.634 1.00 . A A . 23 VAL CB 1 1 8 3439 1 1 23 VAL CG1 C 5.118 11.168 7.444 1.00 . A A . 23 VAL CG1 1 1 8 3440 1 1 23 VAL CG2 C 3.872 11.095 9.616 1.00 . A A . 23 VAL CG2 1 1 8 3441 1 1 23 VAL H H 4.808 13.917 10.731 1.00 . A A . 23 VAL H 1 1 8 3442 1 1 23 VAL HA H 6.603 11.959 9.458 1.00 . A A . 23 VAL HA 1 1 8 3443 1 1 23 VAL HB H 3.950 12.737 8.270 1.00 . A A . 23 VAL HB 1 1 8 3444 1 1 23 VAL HG11 H 4.463 10.323 7.289 1.00 . A A . 23 VAL HG11 1 1 8 3445 1 1 23 VAL HG12 H 5.121 11.790 6.561 1.00 . A A . 23 VAL HG12 1 1 8 3446 1 1 23 VAL HG13 H 6.120 10.814 7.638 1.00 . A A . 23 VAL HG13 1 1 8 3447 1 1 23 VAL HG21 H 4.562 10.416 10.094 1.00 . A A . 23 VAL HG21 1 1 8 3448 1 1 23 VAL HG22 H 3.398 11.713 10.363 1.00 . A A . 23 VAL HG22 1 1 8 3449 1 1 23 VAL HG23 H 3.119 10.529 9.086 1.00 . A A . 23 VAL HG23 1 1 8 3450 1 1 23 VAL N N 5.427 13.161 10.657 1.00 . A A . 23 VAL N 1 1 8 3451 1 1 23 VAL O O 5.817 14.948 8.554 1.00 . A A . 23 VAL O 1 1 8 3452 1 1 24 . C C 8.801 15.417 7.449 1.00 . A A . 24 DBB C 1 1 8 3453 1 1 24 . CA C 7.834 14.515 6.704 1.00 . A A . 24 DBB CA 1 1 8 3454 1 1 24 . CB C 8.562 13.841 5.522 1.00 . A A . 24 DBB CB 1 1 8 3455 1 1 24 . CG C 7.914 12.482 5.258 1.00 . A A . 24 DBB CG 1 1 8 3456 1 1 24 . H H 7.609 12.596 7.568 1.00 . A A . 24 DBB H 1 1 8 3457 1 1 24 . HA H 7.028 15.115 6.310 1.00 . A A . 24 DBB HA 1 1 8 3458 1 1 24 . HB3 H 9.584 13.668 5.838 1.00 . A A . 24 DBB HB3 1 1 8 3459 1 1 24 . HG1 H 7.975 12.255 4.206 1.00 . A A . 24 DBB HG1 1 1 8 3460 1 1 24 . HG2 H 6.880 12.511 5.564 1.00 . A A . 24 DBB HG2 1 1 8 3461 1 1 24 . HG3 H 8.439 11.724 5.821 1.00 . A A . 24 DBB HG3 1 1 8 3462 1 1 24 . N N 7.264 13.520 7.598 1.00 . A A . 24 DBB N 1 1 8 3463 1 1 24 . O O 8.991 15.275 8.657 1.00 . A A . 24 DBB O 1 1 8 3464 1 1 25 LYS C C 10.144 17.416 8.810 1.00 . A A . 25 LYS C 1 1 8 3465 1 1 25 LYS CA C 10.395 17.252 7.314 1.00 . A A . 25 LYS CA 1 1 8 3466 1 1 25 LYS CB C 10.329 18.615 6.622 1.00 . A A . 25 LYS CB 1 1 8 3467 1 1 25 LYS CD C 11.257 19.745 4.580 1.00 . A A . 25 LYS CD 1 1 8 3468 1 1 25 LYS CE C 11.607 21.218 4.732 1.00 . A A . 25 LYS CE 1 1 8 3469 1 1 25 LYS CG C 11.584 18.962 5.840 1.00 . A A . 25 LYS CG 1 1 8 3470 1 1 25 LYS H H 9.233 16.401 5.763 1.00 . A A . 25 LYS H 1 1 8 3471 1 1 25 LYS HA H 11.380 16.832 7.171 1.00 . A A . 25 LYS HA 1 1 8 3472 1 1 25 LYS HB2 H 9.492 18.618 5.939 1.00 . A A . 25 LYS HB2 1 1 8 3473 1 1 25 LYS HB3 H 10.174 19.378 7.371 1.00 . A A . 25 LYS HB3 1 1 8 3474 1 1 25 LYS HD2 H 11.821 19.336 3.755 1.00 . A A . 25 LYS HD2 1 1 8 3475 1 1 25 LYS HD3 H 10.199 19.655 4.375 1.00 . A A . 25 LYS HD3 1 1 8 3476 1 1 25 LYS HE2 H 11.309 21.739 3.835 1.00 . A A . 25 LYS HE2 1 1 8 3477 1 1 25 LYS HE3 H 11.066 21.617 5.577 1.00 . A A . 25 LYS HE3 1 1 8 3478 1 1 25 LYS HG2 H 12.232 19.560 6.464 1.00 . A A . 25 LYS HG2 1 1 8 3479 1 1 25 LYS HG3 H 12.089 18.048 5.564 1.00 . A A . 25 LYS HG3 1 1 8 3480 1 1 25 LYS HZ1 H 13.392 22.258 4.426 1.00 . A A . 25 LYS HZ1 1 1 8 3481 1 1 25 LYS HZ2 H 13.596 20.590 4.619 1.00 . A A . 25 LYS HZ2 1 1 8 3482 1 1 25 LYS HZ3 H 13.260 21.561 5.962 1.00 . A A . 25 LYS HZ3 1 1 8 3483 1 1 25 LYS N N 9.427 16.336 6.722 1.00 . A A . 25 LYS N 1 1 8 3484 1 1 25 LYS NZ N 13.066 21.421 4.950 1.00 . A A . 25 LYS NZ 1 1 8 3485 1 1 25 LYS O O 11.082 17.560 9.593 1.00 . A A . 25 LYS O 1 1 8 3486 1 1 26 GLU C C 9.303 16.582 11.479 1.00 . A A . 26 GLU C 1 1 8 3487 1 1 26 GLU CA C 8.500 17.537 10.600 1.00 . A A . 26 GLU CA 1 1 8 3488 1 1 26 GLU CB C 7.003 17.279 10.783 1.00 . A A . 26 GLU CB 1 1 8 3489 1 1 26 GLU CD C 4.678 17.807 9.948 1.00 . A A . 26 GLU CD 1 1 8 3490 1 1 26 GLU CG C 6.157 17.754 9.614 1.00 . A A . 26 GLU CG 1 1 8 3491 1 1 26 GLU H H 8.170 17.273 8.526 1.00 . A A . 26 GLU H 1 1 8 3492 1 1 26 GLU HA H 8.720 18.551 10.898 1.00 . A A . 26 GLU HA 1 1 8 3493 1 1 26 GLU HB2 H 6.846 16.217 10.906 1.00 . A A . 26 GLU HB2 1 1 8 3494 1 1 26 GLU HB3 H 6.668 17.789 11.673 1.00 . A A . 26 GLU HB3 1 1 8 3495 1 1 26 GLU HG2 H 6.481 18.744 9.330 1.00 . A A . 26 GLU HG2 1 1 8 3496 1 1 26 GLU HG3 H 6.299 17.078 8.784 1.00 . A A . 26 GLU HG3 1 1 8 3497 1 1 26 GLU N N 8.873 17.392 9.198 1.00 . A A . 26 GLU N 1 1 8 3498 1 1 26 GLU O O 9.865 16.983 12.499 1.00 . A A . 26 GLU O 1 1 8 3499 1 1 26 GLU OE1 O 4.050 16.731 10.032 1.00 . A A . 26 GLU OE1 1 1 8 3500 1 1 26 GLU OE2 O 4.150 18.925 10.125 1.00 . A A . 26 GLU OE2 1 1 8 3501 1 1 27 CYS C C 11.120 13.615 10.940 1.00 . A A . 27 CYS C 1 1 8 3502 1 1 27 CYS CA C 10.085 14.303 11.825 1.00 . A A . 27 CYS CA 1 1 8 3503 1 1 27 CYS CB C 9.118 13.266 12.399 1.00 . A A . 27 CYS CB 1 1 8 3504 1 1 27 CYS H H 8.885 15.058 10.253 1.00 . A A . 27 CYS H 1 1 8 3505 1 1 27 CYS HA H 10.596 14.796 12.638 1.00 . A A . 27 CYS HA 1 1 8 3506 1 1 27 CYS HB2 H 8.467 12.917 11.611 1.00 . A A . 27 CYS HB2 1 1 8 3507 1 1 27 CYS HB3 H 9.685 12.432 12.785 1.00 . A A . 27 CYS HB3 1 1 8 3508 1 1 27 CYS N N 9.353 15.317 11.075 1.00 . A A . 27 CYS N 1 1 8 3509 1 1 27 CYS O O 12.024 12.941 11.433 1.00 . A A . 27 CYS O 1 1 8 3510 1 1 27 CYS SG S 8.067 13.895 13.747 1.00 . A A . 27 CYS SG 1 1 8 3511 1 1 28 MET C C 12.451 14.235 7.712 1.00 . A A . 28 MET C 1 1 8 3512 1 1 28 MET CA C 11.905 13.187 8.676 1.00 . A A . 28 MET CA 1 1 8 3513 1 1 28 MET CB C 11.208 12.072 7.894 1.00 . A A . 28 MET CB 1 1 8 3514 1 1 28 MET CE C 9.314 9.521 10.601 1.00 . A A . 28 MET CE 1 1 8 3515 1 1 28 MET CG C 10.130 11.354 8.689 1.00 . A A . 28 MET CG 1 1 8 3516 1 1 28 MET H H 10.240 14.339 9.296 1.00 . A A . 28 MET H 1 1 8 3517 1 1 28 MET HA H 12.727 12.765 9.233 1.00 . A A . 28 MET HA 1 1 8 3518 1 1 28 MET HB2 H 10.752 12.497 7.012 1.00 . A A . 28 MET HB2 1 1 8 3519 1 1 28 MET HB3 H 11.947 11.344 7.592 1.00 . A A . 28 MET HB3 1 1 8 3520 1 1 28 MET HE1 H 8.464 10.134 10.338 1.00 . A A . 28 MET HE1 1 1 8 3521 1 1 28 MET HE2 H 9.192 8.536 10.176 1.00 . A A . 28 MET HE2 1 1 8 3522 1 1 28 MET HE3 H 9.384 9.444 11.676 1.00 . A A . 28 MET HE3 1 1 8 3523 1 1 28 MET HG2 H 9.502 12.092 9.167 1.00 . A A . 28 MET HG2 1 1 8 3524 1 1 28 MET HG3 H 9.534 10.763 8.009 1.00 . A A . 28 MET HG3 1 1 8 3525 1 1 28 MET N N 10.981 13.790 9.630 1.00 . A A . 28 MET N 1 1 8 3526 1 1 28 MET O O 11.723 14.806 6.899 1.00 . A A . 28 MET O 1 1 8 3527 1 1 28 MET SD S 10.810 10.268 9.958 1.00 . A A . 28 MET SD 1 1 8 3528 1 1 29 PRO C C 14.529 15.014 5.495 1.00 . A A . 29 PRO C 1 1 8 3529 1 1 29 PRO CA C 14.437 15.478 6.945 1.00 . A A . 29 PRO CA 1 1 8 3530 1 1 29 PRO CB C 15.833 15.589 7.561 1.00 . A A . 29 PRO CB 1 1 8 3531 1 1 29 PRO CD C 14.692 13.855 8.748 1.00 . A A . 29 PRO CD 1 1 8 3532 1 1 29 PRO CG C 16.046 14.288 8.255 1.00 . A A . 29 PRO CG 1 1 8 3533 1 1 29 PRO HA H 13.947 16.440 6.983 1.00 . A A . 29 PRO HA 1 1 8 3534 1 1 29 PRO HB2 H 16.563 15.744 6.780 1.00 . A A . 29 PRO HB2 1 1 8 3535 1 1 29 PRO HB3 H 15.860 16.415 8.256 1.00 . A A . 29 PRO HB3 1 1 8 3536 1 1 29 PRO HD2 H 14.602 12.780 8.708 1.00 . A A . 29 PRO HD2 1 1 8 3537 1 1 29 PRO HD3 H 14.525 14.212 9.754 1.00 . A A . 29 PRO HD3 1 1 8 3538 1 1 29 PRO HG2 H 16.441 13.562 7.561 1.00 . A A . 29 PRO HG2 1 1 8 3539 1 1 29 PRO HG3 H 16.722 14.421 9.087 1.00 . A A . 29 PRO HG3 1 1 8 3540 1 1 29 PRO N N 13.764 14.497 7.802 1.00 . A A . 29 PRO N 1 1 8 3541 1 1 29 PRO O O 14.824 15.804 4.598 1.00 . A A . 29 PRO O 1 1 8 3542 1 1 30 SER C C 13.073 13.496 3.143 1.00 . A A . 30 SER C 1 1 8 3543 1 1 30 SER CA C 14.334 13.158 3.932 1.00 . A A . 30 SER CA 1 1 8 3544 1 1 30 SER CB C 14.511 11.640 4.007 1.00 . A A . 30 SER CB 1 1 8 3545 1 1 30 SER H H 14.047 13.148 6.030 1.00 . A A . 30 SER H 1 1 8 3546 1 1 30 SER HA H 15.187 13.586 3.427 1.00 . A A . 30 SER HA 1 1 8 3547 1 1 30 SER HB2 H 15.185 11.398 4.814 1.00 . A A . 30 SER HB2 1 1 8 3548 1 1 30 SER HB3 H 13.551 11.178 4.189 1.00 . A A . 30 SER HB3 1 1 8 3549 1 1 30 SER HG H 14.660 10.266 2.619 1.00 . A A . 30 SER HG 1 1 8 3550 1 1 30 SER N N 14.276 13.728 5.273 1.00 . A A . 30 SER N 1 1 8 3551 1 1 30 SER O O 12.668 12.753 2.249 1.00 . A A . 30 SER O 1 1 8 3552 1 1 30 SER OG O 15.043 11.128 2.798 1.00 . A A . 30 SER OG 1 1 8 3553 1 1 31 CYS C C 11.569 16.030 1.669 1.00 . A A . 31 CYS C 1 1 8 3554 1 1 31 CYS CA C 11.242 15.064 2.804 1.00 . A A . 31 CYS CA 1 1 8 3555 1 1 31 CYS CB C 10.293 15.733 3.800 1.00 . A A . 31 CYS CB 1 1 8 3556 1 1 31 CYS H H 12.829 15.176 4.200 1.00 . A A . 31 CYS H 1 1 8 3557 1 1 31 CYS HA H 10.759 14.192 2.390 1.00 . A A . 31 CYS HA 1 1 8 3558 1 1 31 CYS HB2 H 10.763 15.756 4.773 1.00 . A A . 31 CYS HB2 1 1 8 3559 1 1 31 CYS HB3 H 10.098 16.744 3.476 1.00 . A A . 31 CYS HB3 1 1 8 3560 1 1 31 CYS N N 12.457 14.625 3.479 1.00 . A A . 31 CYS N 1 1 8 3561 1 1 31 CYS O O 12.675 16.563 1.594 1.00 . A A . 31 CYS O 1 1 8 3562 1 1 31 CYS SG S 8.689 14.888 3.982 1.00 . A A . 31 CYS SG 1 1 8 3563 1 1 32 ASN C C 9.536 18.000 -0.571 1.00 . A A . 32 ASN C 1 1 8 3564 1 1 32 ASN CA C 10.783 17.151 -0.343 1.00 . A A . 32 ASN CA 1 1 8 3565 1 1 32 ASN CB C 11.110 16.355 -1.608 1.00 . A A . 32 ASN CB 1 1 8 3566 1 1 32 ASN CG C 12.013 15.169 -1.328 1.00 . A A . 32 ASN CG 1 1 8 3567 1 1 32 ASN H H 9.738 15.795 0.901 1.00 . A A . 32 ASN H 1 1 8 3568 1 1 32 ASN HA H 11.612 17.804 -0.115 1.00 . A A . 32 ASN HA 1 1 8 3569 1 1 32 ASN HB2 H 10.191 15.988 -2.043 1.00 . A A . 32 ASN HB2 1 1 8 3570 1 1 32 ASN HB3 H 11.604 17.002 -2.317 1.00 . A A . 32 ASN HB3 1 1 8 3571 1 1 32 ASN HD21 H 10.589 13.913 -1.917 1.00 . A A . 32 ASN HD21 1 1 8 3572 1 1 32 ASN HD22 H 12.067 13.184 -1.401 1.00 . A A . 32 ASN HD22 1 1 8 3573 1 1 32 ASN N N 10.599 16.250 0.788 1.00 . A A . 32 ASN N 1 1 8 3574 1 1 32 ASN ND2 N 11.505 13.967 -1.574 1.00 . A A . 32 ASN ND2 1 1 8 3575 1 1 32 ASN O O 9.385 19.069 0.020 1.00 . A A . 32 ASN O 1 1 8 3576 1 1 32 ASN OD1 O 13.154 15.333 -0.896 1.00 . A A . 32 ASN OD1 1 1 9 3577 1 1 1 2KT C1 C -4.172 5.919 22.285 1.00 . A A . 1 2KT C1 1 1 9 3578 1 1 1 2KT C2 C -5.473 5.663 22.090 1.00 . A A . 1 2KT C2 1 1 9 3579 1 1 1 2KT C3 C -6.354 6.439 22.580 1.00 . A A . 1 2KT C3 1 1 9 3580 1 1 1 2KT C4 C -6.495 7.550 21.941 1.00 . A A . 1 2KT C4 1 1 9 3581 1 1 1 2KT H31 H -6.217 6.844 23.484 1.00 . A A . 1 2KT H31 1 1 9 3582 1 1 1 2KT H32 H -7.284 6.106 22.733 1.00 . A A . 1 2KT H32 1 1 9 3583 1 1 1 2KT H41 H -5.765 8.234 21.960 1.00 . A A . 1 2KT H41 1 1 9 3584 1 1 1 2KT H42 H -6.633 7.543 20.950 1.00 . A A . 1 2KT H42 1 1 9 3585 1 1 1 2KT H43 H -7.249 8.165 22.168 1.00 . A A . 1 2KT H43 1 1 9 3586 1 1 1 2KT O1 O -3.871 6.935 22.911 1.00 . A A . 1 2KT O1 1 1 9 3587 1 1 1 2KT O3 O -5.786 4.668 21.431 1.00 . A A . 1 2KT O3 1 1 9 3588 1 1 2 ILE C C -1.431 6.674 21.460 1.00 . A A . 2 ILE C 1 1 9 3589 1 1 2 ILE CA C -1.840 5.299 21.977 1.00 . A A . 2 ILE CA 1 1 9 3590 1 1 2 ILE CB C -1.006 4.223 21.256 1.00 . A A . 2 ILE CB 1 1 9 3591 1 1 2 ILE CD1 C -2.373 4.302 19.110 1.00 . A A . 2 ILE CD1 1 1 9 3592 1 1 2 ILE CG1 C -1.011 4.471 19.746 1.00 . A A . 2 ILE CG1 1 1 9 3593 1 1 2 ILE CG2 C -1.545 2.836 21.572 1.00 . A A . 2 ILE CG2 1 1 9 3594 1 1 2 ILE H H -3.570 4.281 21.309 1.00 . A A . 2 ILE H 1 1 9 3595 1 1 2 ILE HA H -1.623 5.245 23.034 1.00 . A A . 2 ILE HA 1 1 9 3596 1 1 2 ILE HB H 0.008 4.281 21.620 1.00 . A A . 2 ILE HB 1 1 9 3597 1 1 2 ILE HD11 H -2.253 4.001 18.079 1.00 . A A . 2 ILE HD11 1 1 9 3598 1 1 2 ILE HD12 H -2.927 3.544 19.642 1.00 . A A . 2 ILE HD12 1 1 9 3599 1 1 2 ILE HD13 H -2.909 5.238 19.152 1.00 . A A . 2 ILE HD13 1 1 9 3600 1 1 2 ILE HG12 H -0.677 5.478 19.551 1.00 . A A . 2 ILE HG12 1 1 9 3601 1 1 2 ILE HG13 H -0.334 3.774 19.273 1.00 . A A . 2 ILE HG13 1 1 9 3602 1 1 2 ILE HG21 H -2.472 2.926 22.119 1.00 . A A . 2 ILE HG21 1 1 9 3603 1 1 2 ILE HG22 H -1.721 2.300 20.652 1.00 . A A . 2 ILE HG22 1 1 9 3604 1 1 2 ILE HG23 H -0.825 2.298 22.170 1.00 . A A . 2 ILE HG23 1 1 9 3605 1 1 2 ILE N N -3.269 5.074 21.799 1.00 . A A . 2 ILE N 1 1 9 3606 1 1 2 ILE O O -2.178 7.315 20.718 1.00 . A A . 2 ILE O 1 1 9 3607 1 1 3 . C C 0.442 9.329 22.636 1.00 . A A . 3 DBB C 1 1 9 3608 1 1 3 . CA C 0.261 8.414 21.439 1.00 . A A . 3 DBB CA 1 1 9 3609 1 1 3 . CB C 1.605 8.266 20.695 1.00 . A A . 3 DBB CB 1 1 9 3610 1 1 3 . CG C 1.443 7.217 19.595 1.00 . A A . 3 DBB CG 1 1 9 3611 1 1 3 . H H 0.301 6.553 22.448 1.00 . A A . 3 DBB H 1 1 9 3612 1 1 3 . HA H -0.454 8.858 20.763 1.00 . A A . 3 DBB HA 1 1 9 3613 1 1 3 . HB3 H 2.324 7.889 21.413 1.00 . A A . 3 DBB HB3 1 1 9 3614 1 1 3 . HG1 H 0.419 7.209 19.256 1.00 . A A . 3 DBB HG1 1 1 9 3615 1 1 3 . HG2 H 1.705 6.245 19.982 1.00 . A A . 3 DBB HG2 1 1 9 3616 1 1 3 . HG3 H 2.094 7.467 18.769 1.00 . A A . 3 DBB HG3 1 1 9 3617 1 1 3 . N N -0.249 7.117 21.852 1.00 . A A . 3 DBB N 1 1 9 3618 1 1 3 . O O 1.185 10.309 22.572 1.00 . A A . 3 DBB O 1 1 9 3619 1 1 4 LEU C C 1.188 10.484 25.072 1.00 . A A . 4 LEU C 1 1 9 3620 1 1 4 LEU CA C -0.183 9.831 24.934 1.00 . A A . 4 LEU CA 1 1 9 3621 1 1 4 LEU CB C -0.478 8.973 26.166 1.00 . A A . 4 LEU CB 1 1 9 3622 1 1 4 LEU CD1 C -2.256 7.287 26.698 1.00 . A A . 4 LEU CD1 1 1 9 3623 1 1 4 LEU CD2 C -2.338 9.559 27.741 1.00 . A A . 4 LEU CD2 1 1 9 3624 1 1 4 LEU CG C -1.956 8.765 26.500 1.00 . A A . 4 LEU CG 1 1 9 3625 1 1 4 LEU H H -0.829 8.226 23.715 1.00 . A A . 4 LEU H 1 1 9 3626 1 1 4 LEU HA H -0.932 10.605 24.857 1.00 . A A . 4 LEU HA 1 1 9 3627 1 1 4 LEU HB2 H -0.036 8.002 26.005 1.00 . A A . 4 LEU HB2 1 1 9 3628 1 1 4 LEU HB3 H -0.008 9.445 27.017 1.00 . A A . 4 LEU HB3 1 1 9 3629 1 1 4 LEU HD11 H -2.434 6.825 25.738 1.00 . A A . 4 LEU HD11 1 1 9 3630 1 1 4 LEU HD12 H -3.133 7.177 27.318 1.00 . A A . 4 LEU HD12 1 1 9 3631 1 1 4 LEU HD13 H -1.414 6.810 27.177 1.00 . A A . 4 LEU HD13 1 1 9 3632 1 1 4 LEU HD21 H -1.495 9.602 28.415 1.00 . A A . 4 LEU HD21 1 1 9 3633 1 1 4 LEU HD22 H -3.170 9.077 28.234 1.00 . A A . 4 LEU HD22 1 1 9 3634 1 1 4 LEU HD23 H -2.622 10.561 27.454 1.00 . A A . 4 LEU HD23 1 1 9 3635 1 1 4 LEU HG H -2.559 9.120 25.676 1.00 . A A . 4 LEU HG 1 1 9 3636 1 1 4 LEU N N -0.254 9.019 23.724 1.00 . A A . 4 LEU N 1 1 9 3637 1 1 4 LEU O O 2.211 9.800 24.972 1.00 . A A . 4 LEU O 1 1 9 3638 1 1 5 DHA C C 2.685 13.537 24.559 1.00 . A A . 5 DHA C 1 1 9 3639 1 1 5 DHA CA C 2.369 12.486 25.448 1.00 . A A . 5 DHA CA 1 1 9 3640 1 1 5 DHA CB C 3.201 12.187 26.452 1.00 . A A . 5 DHA CB 1 1 9 3641 1 1 5 DHA H H 0.318 12.225 25.361 1.00 . A A . 5 DHA H 1 1 9 3642 1 1 5 DHA HB1 H 2.956 11.391 27.140 1.00 . A A . 5 DHA HB1 1 1 9 3643 1 1 5 DHA HB2 H 4.098 12.760 26.596 1.00 . A A . 5 DHA HB2 1 1 9 3644 1 1 5 DHA N N 1.193 11.796 25.302 1.00 . A A . 5 DHA N 1 1 9 3645 1 1 5 DHA O O 2.185 14.659 24.691 1.00 . A A . 5 DHA O 1 1 9 3646 1 1 6 DBU C C 3.256 13.977 21.184 1.00 . A A . 6 DBU C 1 1 9 3647 1 1 6 DBU CA C 3.781 14.142 22.599 1.00 . A A . 6 DBU CA 1 1 9 3648 1 1 6 DBU CB C 4.539 15.203 22.917 1.00 . A A . 6 DBU CB 1 1 9 3649 1 1 6 DBU CG C 5.042 15.344 24.324 1.00 . A A . 6 DBU CG 1 1 9 3650 1 1 6 DBU H1 H 3.817 12.287 23.531 1.00 . A A . 6 DBU H1 1 1 9 3651 1 1 6 DBU HB1 H 4.785 15.938 22.164 1.00 . A A . 6 DBU HB1 1 1 9 3652 1 1 6 DBU HG1 H 5.199 14.365 24.750 1.00 . A A . 6 DBU HG1 1 1 9 3653 1 1 6 DBU HG2 H 4.314 15.872 24.917 1.00 . A A . 6 DBU HG2 1 1 9 3654 1 1 6 DBU HG3 H 5.973 15.892 24.313 1.00 . A A . 6 DBU HG3 1 1 9 3655 1 1 6 DBU N N 3.471 13.206 23.541 1.00 . A A . 6 DBU N 1 1 9 3656 1 1 6 DBU O O 3.545 14.781 20.297 1.00 . A A . 6 DBU O 1 1 9 3657 1 1 7 CYS C C 1.026 13.709 19.178 1.00 . A A . 7 CYS C 1 1 9 3658 1 1 7 CYS CA C 1.962 12.600 19.649 1.00 . A A . 7 CYS CA 1 1 9 3659 1 1 7 CYS CB C 1.215 11.265 19.676 1.00 . A A . 7 CYS CB 1 1 9 3660 1 1 7 CYS H H 2.307 12.299 21.716 1.00 . A A . 7 CYS H 1 1 9 3661 1 1 7 CYS HA H 2.789 12.526 18.960 1.00 . A A . 7 CYS HA 1 1 9 3662 1 1 7 CYS HB2 H 0.447 11.306 20.435 1.00 . A A . 7 CYS HB2 1 1 9 3663 1 1 7 CYS HB3 H 0.754 11.100 18.713 1.00 . A A . 7 CYS HB3 1 1 9 3664 1 1 7 CYS N N 2.503 12.903 20.969 1.00 . A A . 7 CYS N 1 1 9 3665 1 1 7 CYS O O 1.196 14.258 18.089 1.00 . A A . 7 CYS O 1 1 9 3666 1 1 7 CYS SG S 2.274 9.828 20.039 1.00 . A A . 7 CYS SG 1 1 9 3667 1 1 8 ALA C C -0.265 16.455 19.689 1.00 . A A . 8 ALA C 1 1 9 3668 1 1 8 ALA CA C -0.923 15.079 19.675 1.00 . A A . 8 ALA CA 1 1 9 3669 1 1 8 ALA CB C -2.095 15.044 20.644 1.00 . A A . 8 ALA CB 1 1 9 3670 1 1 8 ALA H H -0.045 13.562 20.860 1.00 . A A . 8 ALA H 1 1 9 3671 1 1 8 ALA HA H -1.302 14.883 18.682 1.00 . A A . 8 ALA HA 1 1 9 3672 1 1 8 ALA HB1 H -1.856 15.631 21.519 1.00 . A A . 8 ALA HB1 1 1 9 3673 1 1 8 ALA HB2 H -2.972 15.453 20.164 1.00 . A A . 8 ALA HB2 1 1 9 3674 1 1 8 ALA HB3 H -2.289 14.023 20.937 1.00 . A A . 8 ALA HB3 1 1 9 3675 1 1 8 ALA N N 0.038 14.035 20.006 1.00 . A A . 8 ALA N 1 1 9 3676 1 1 8 ALA O O -0.911 17.465 19.409 1.00 . A A . 8 ALA O 1 1 9 3677 1 1 9 ILE C C 2.530 17.976 18.768 1.00 . A A . 9 ILE C 1 1 9 3678 1 1 9 ILE CA C 1.767 17.739 20.067 1.00 . A A . 9 ILE CA 1 1 9 3679 1 1 9 ILE CB C 2.761 17.757 21.243 1.00 . A A . 9 ILE CB 1 1 9 3680 1 1 9 ILE CD1 C 2.860 17.716 23.786 1.00 . A A . 9 ILE CD1 1 1 9 3681 1 1 9 ILE CG1 C 2.044 17.410 22.550 1.00 . A A . 9 ILE CG1 1 1 9 3682 1 1 9 ILE CG2 C 3.434 19.117 21.347 1.00 . A A . 9 ILE CG2 1 1 9 3683 1 1 9 ILE H H 1.482 15.648 20.230 1.00 . A A . 9 ILE H 1 1 9 3684 1 1 9 ILE HA H 1.058 18.542 20.208 1.00 . A A . 9 ILE HA 1 1 9 3685 1 1 9 ILE HB H 3.524 17.018 21.052 1.00 . A A . 9 ILE HB 1 1 9 3686 1 1 9 ILE HD11 H 2.589 17.029 24.575 1.00 . A A . 9 ILE HD11 1 1 9 3687 1 1 9 ILE HD12 H 3.910 17.607 23.561 1.00 . A A . 9 ILE HD12 1 1 9 3688 1 1 9 ILE HD13 H 2.662 18.727 24.107 1.00 . A A . 9 ILE HD13 1 1 9 3689 1 1 9 ILE HG12 H 1.126 17.973 22.611 1.00 . A A . 9 ILE HG12 1 1 9 3690 1 1 9 ILE HG13 H 1.814 16.354 22.556 1.00 . A A . 9 ILE HG13 1 1 9 3691 1 1 9 ILE HG21 H 3.866 19.379 20.393 1.00 . A A . 9 ILE HG21 1 1 9 3692 1 1 9 ILE HG22 H 2.702 19.860 21.626 1.00 . A A . 9 ILE HG22 1 1 9 3693 1 1 9 ILE HG23 H 4.211 19.078 22.096 1.00 . A A . 9 ILE HG23 1 1 9 3694 1 1 9 ILE N N 1.022 16.487 20.017 1.00 . A A . 9 ILE N 1 1 9 3695 1 1 9 ILE O O 2.479 19.066 18.196 1.00 . A A . 9 ILE O 1 1 9 3696 1 1 10 LEU C C 3.222 16.484 15.893 1.00 . A A . 10 LEU C 1 1 9 3697 1 1 10 LEU CA C 4.008 17.045 17.073 1.00 . A A . 10 LEU CA 1 1 9 3698 1 1 10 LEU CB C 5.334 16.296 17.219 1.00 . A A . 10 LEU CB 1 1 9 3699 1 1 10 LEU CD1 C 7.822 16.582 17.100 1.00 . A A . 10 LEU CD1 1 1 9 3700 1 1 10 LEU CD2 C 6.509 16.185 15.008 1.00 . A A . 10 LEU CD2 1 1 9 3701 1 1 10 LEU CG C 6.501 16.829 16.387 1.00 . A A . 10 LEU CG 1 1 9 3702 1 1 10 LEU H H 3.237 16.107 18.806 1.00 . A A . 10 LEU H 1 1 9 3703 1 1 10 LEU HA H 4.213 18.090 16.890 1.00 . A A . 10 LEU HA 1 1 9 3704 1 1 10 LEU HB2 H 5.624 16.337 18.258 1.00 . A A . 10 LEU HB2 1 1 9 3705 1 1 10 LEU HB3 H 5.165 15.268 16.934 1.00 . A A . 10 LEU HB3 1 1 9 3706 1 1 10 LEU HD11 H 7.917 15.531 17.328 1.00 . A A . 10 LEU HD11 1 1 9 3707 1 1 10 LEU HD12 H 7.848 17.153 18.016 1.00 . A A . 10 LEU HD12 1 1 9 3708 1 1 10 LEU HD13 H 8.638 16.888 16.462 1.00 . A A . 10 LEU HD13 1 1 9 3709 1 1 10 LEU HD21 H 6.101 15.188 15.073 1.00 . A A . 10 LEU HD21 1 1 9 3710 1 1 10 LEU HD22 H 7.524 16.136 14.640 1.00 . A A . 10 LEU HD22 1 1 9 3711 1 1 10 LEU HD23 H 5.910 16.777 14.331 1.00 . A A . 10 LEU HD23 1 1 9 3712 1 1 10 LEU HG H 6.386 17.896 16.258 1.00 . A A . 10 LEU HG 1 1 9 3713 1 1 10 LEU N N 3.235 16.950 18.306 1.00 . A A . 10 LEU N 1 1 9 3714 1 1 10 LEU O O 3.789 16.161 14.848 1.00 . A A . 10 LEU O 1 1 9 3715 1 1 11 DAL C C 1.096 16.734 13.770 1.00 . A A . 11 DAL C 1 1 9 3716 1 1 11 DAL CA C 1.054 15.849 15.015 1.00 . A A . 11 DAL CA 1 1 9 3717 1 1 11 DAL CB C 1.478 14.429 14.652 1.00 . A A . 11 DAL CB 1 1 9 3718 1 1 11 DAL H H 1.513 16.646 16.916 1.00 . A A . 11 DAL H 1 1 9 3719 1 1 11 DAL HA H 0.045 15.826 15.396 1.00 . A A . 11 DAL HA 1 1 9 3720 1 1 11 DAL HB2 H 1.101 13.751 15.402 1.00 . A A . 11 DAL HB2 1 1 9 3721 1 1 11 DAL HB3 H 2.562 14.378 14.640 1.00 . A A . 11 DAL HB3 1 1 9 3722 1 1 11 DAL N N 1.915 16.373 16.062 1.00 . A A . 11 DAL N 1 1 9 3723 1 1 11 DAL O O 2.119 17.345 13.458 1.00 . A A . 11 DAL O 1 1 9 3724 1 1 12 LYS C C -0.833 18.917 12.125 1.00 . A A . 12 LYS C 1 1 9 3725 1 1 12 LYS CA C -0.122 17.597 11.847 1.00 . A A . 12 LYS CA 1 1 9 3726 1 1 12 LYS CB C -0.867 16.824 10.756 1.00 . A A . 12 LYS CB 1 1 9 3727 1 1 12 LYS CD C -3.025 15.756 10.041 1.00 . A A . 12 LYS CD 1 1 9 3728 1 1 12 LYS CE C -4.325 15.223 10.623 1.00 . A A . 12 LYS CE 1 1 9 3729 1 1 12 LYS CG C -2.369 16.761 10.973 1.00 . A A . 12 LYS CG 1 1 9 3730 1 1 12 LYS H H -0.808 16.283 13.358 1.00 . A A . 12 LYS H 1 1 9 3731 1 1 12 LYS HA H 0.881 17.806 11.507 1.00 . A A . 12 LYS HA 1 1 9 3732 1 1 12 LYS HB2 H -0.681 17.299 9.804 1.00 . A A . 12 LYS HB2 1 1 9 3733 1 1 12 LYS HB3 H -0.486 15.813 10.724 1.00 . A A . 12 LYS HB3 1 1 9 3734 1 1 12 LYS HD2 H -3.237 16.237 9.098 1.00 . A A . 12 LYS HD2 1 1 9 3735 1 1 12 LYS HD3 H -2.347 14.930 9.881 1.00 . A A . 12 LYS HD3 1 1 9 3736 1 1 12 LYS HE2 H -4.879 16.046 11.047 1.00 . A A . 12 LYS HE2 1 1 9 3737 1 1 12 LYS HE3 H -4.901 14.772 9.829 1.00 . A A . 12 LYS HE3 1 1 9 3738 1 1 12 LYS HG2 H -2.564 16.470 11.994 1.00 . A A . 12 LYS HG2 1 1 9 3739 1 1 12 LYS HG3 H -2.791 17.739 10.788 1.00 . A A . 12 LYS HG3 1 1 9 3740 1 1 12 LYS HZ1 H -3.678 14.659 12.528 1.00 . A A . 12 LYS HZ1 1 1 9 3741 1 1 12 LYS HZ2 H -3.418 13.483 11.339 1.00 . A A . 12 LYS HZ2 1 1 9 3742 1 1 12 LYS HZ3 H -4.975 13.743 11.946 1.00 . A A . 12 LYS HZ3 1 1 9 3743 1 1 12 LYS N N -0.025 16.793 13.059 1.00 . A A . 12 LYS N 1 1 9 3744 1 1 12 LYS NZ N -4.082 14.206 11.684 1.00 . A A . 12 LYS NZ 1 1 9 3745 1 1 12 LYS O O -1.758 18.993 12.933 1.00 . A A . 12 LYS O 1 1 9 3746 1 1 13 PRO C C -2.385 21.408 11.019 1.00 . A A . 13 PRO C 1 1 9 3747 1 1 13 PRO CA C -0.976 21.319 11.594 1.00 . A A . 13 PRO CA 1 1 9 3748 1 1 13 PRO CB C -0.019 22.217 10.805 1.00 . A A . 13 PRO CB 1 1 9 3749 1 1 13 PRO CD C 0.705 19.965 10.459 1.00 . A A . 13 PRO CD 1 1 9 3750 1 1 13 PRO CG C 0.605 21.313 9.799 1.00 . A A . 13 PRO CG 1 1 9 3751 1 1 13 PRO HA H -0.990 21.628 12.629 1.00 . A A . 13 PRO HA 1 1 9 3752 1 1 13 PRO HB2 H -0.577 23.012 10.331 1.00 . A A . 13 PRO HB2 1 1 9 3753 1 1 13 PRO HB3 H 0.720 22.635 11.472 1.00 . A A . 13 PRO HB3 1 1 9 3754 1 1 13 PRO HD2 H 0.562 19.178 9.733 1.00 . A A . 13 PRO HD2 1 1 9 3755 1 1 13 PRO HD3 H 1.660 19.857 10.953 1.00 . A A . 13 PRO HD3 1 1 9 3756 1 1 13 PRO HG2 H -0.018 21.255 8.920 1.00 . A A . 13 PRO HG2 1 1 9 3757 1 1 13 PRO HG3 H 1.589 21.676 9.540 1.00 . A A . 13 PRO HG3 1 1 9 3758 1 1 13 PRO N N -0.393 19.983 11.439 1.00 . A A . 13 PRO N 1 1 9 3759 1 1 13 PRO O O -2.962 20.402 10.604 1.00 . A A . 13 PRO O 1 1 9 3760 1 1 14 LEU C C -4.226 23.315 9.025 1.00 . A A . 14 LEU C 1 1 9 3761 1 1 14 LEU CA C -4.278 22.837 10.472 1.00 . A A . 14 LEU CA 1 1 9 3762 1 1 14 LEU CB C -5.022 23.860 11.332 1.00 . A A . 14 LEU CB 1 1 9 3763 1 1 14 LEU CD1 C -3.512 25.676 10.492 1.00 . A A . 14 LEU CD1 1 1 9 3764 1 1 14 LEU CD2 C -5.166 26.167 12.303 1.00 . A A . 14 LEU CD2 1 1 9 3765 1 1 14 LEU CG C -4.238 25.119 11.707 1.00 . A A . 14 LEU CG 1 1 9 3766 1 1 14 LEU H H -2.427 23.380 11.342 1.00 . A A . 14 LEU H 1 1 9 3767 1 1 14 LEU HA H -4.807 21.896 10.509 1.00 . A A . 14 LEU HA 1 1 9 3768 1 1 14 LEU HB2 H -5.903 24.169 10.791 1.00 . A A . 14 LEU HB2 1 1 9 3769 1 1 14 LEU HB3 H -5.318 23.369 12.248 1.00 . A A . 14 LEU HB3 1 1 9 3770 1 1 14 LEU HD11 H -4.193 25.724 9.656 1.00 . A A . 14 LEU HD11 1 1 9 3771 1 1 14 LEU HD12 H -2.681 25.033 10.243 1.00 . A A . 14 LEU HD12 1 1 9 3772 1 1 14 LEU HD13 H -3.145 26.667 10.716 1.00 . A A . 14 LEU HD13 1 1 9 3773 1 1 14 LEU HD21 H -4.690 26.623 13.159 1.00 . A A . 14 LEU HD21 1 1 9 3774 1 1 14 LEU HD22 H -6.088 25.697 12.611 1.00 . A A . 14 LEU HD22 1 1 9 3775 1 1 14 LEU HD23 H -5.377 26.924 11.562 1.00 . A A . 14 LEU HD23 1 1 9 3776 1 1 14 LEU HG H -3.496 24.865 12.451 1.00 . A A . 14 LEU HG 1 1 9 3777 1 1 14 LEU N N -2.935 22.617 10.997 1.00 . A A . 14 LEU N 1 1 9 3778 1 1 14 LEU O O -3.150 23.440 8.440 1.00 . A A . 14 LEU O 1 1 9 3779 1 1 15 GLY C C -5.976 22.980 6.131 1.00 . A A . 15 GLY C 1 1 9 3780 1 1 15 GLY CA C -5.460 24.045 7.078 1.00 . A A . 15 GLY CA 1 1 9 3781 1 1 15 GLY H H -6.221 23.463 8.966 1.00 . A A . 15 GLY H 1 1 9 3782 1 1 15 GLY HA2 H -6.114 24.903 7.029 1.00 . A A . 15 GLY HA2 1 1 9 3783 1 1 15 GLY HA3 H -4.470 24.341 6.763 1.00 . A A . 15 GLY HA3 1 1 9 3784 1 1 15 GLY N N -5.395 23.582 8.452 1.00 . A A . 15 GLY N 1 1 9 3785 1 1 15 GLY O O -6.891 22.230 6.468 1.00 . A A . 15 GLY O 1 1 9 3786 1 1 16 ASN C C -4.932 20.677 4.027 1.00 . A A . 16 ASN C 1 1 9 3787 1 1 16 ASN CA C -5.794 21.933 3.941 1.00 . A A . 16 ASN CA 1 1 9 3788 1 1 16 ASN CB C -5.698 22.535 2.537 1.00 . A A . 16 ASN CB 1 1 9 3789 1 1 16 ASN CG C -4.263 22.730 2.088 1.00 . A A . 16 ASN CG 1 1 9 3790 1 1 16 ASN H H -4.662 23.538 4.730 1.00 . A A . 16 ASN H 1 1 9 3791 1 1 16 ASN HA H -6.821 21.665 4.138 1.00 . A A . 16 ASN HA 1 1 9 3792 1 1 16 ASN HB2 H -6.189 21.877 1.835 1.00 . A A . 16 ASN HB2 1 1 9 3793 1 1 16 ASN HB3 H -6.192 23.495 2.529 1.00 . A A . 16 ASN HB3 1 1 9 3794 1 1 16 ASN HD21 H -4.542 21.475 0.570 1.00 . A A . 16 ASN HD21 1 1 9 3795 1 1 16 ASN HD22 H -2.961 22.160 0.698 1.00 . A A . 16 ASN HD22 1 1 9 3796 1 1 16 ASN N N -5.387 22.913 4.941 1.00 . A A . 16 ASN N 1 1 9 3797 1 1 16 ASN ND2 N -3.884 22.054 1.010 1.00 . A A . 16 ASN ND2 1 1 9 3798 1 1 16 ASN O O -4.160 20.379 3.117 1.00 . A A . 16 ASN O 1 1 9 3799 1 1 16 ASN OD1 O -3.504 23.479 2.704 1.00 . A A . 16 ASN OD1 1 1 9 3800 1 1 17 ASN C C -4.913 17.880 6.451 1.00 . A A . 17 ASN C 1 1 9 3801 1 1 17 ASN CA C -4.305 18.721 5.333 1.00 . A A . 17 ASN CA 1 1 9 3802 1 1 17 ASN CB C -2.849 19.056 5.665 1.00 . A A . 17 ASN CB 1 1 9 3803 1 1 17 ASN CG C -2.590 19.089 7.159 1.00 . A A . 17 ASN CG 1 1 9 3804 1 1 17 ASN H H -5.703 20.235 5.818 1.00 . A A . 17 ASN H 1 1 9 3805 1 1 17 ASN HA H -4.334 18.154 4.415 1.00 . A A . 17 ASN HA 1 1 9 3806 1 1 17 ASN HB2 H -2.205 18.309 5.224 1.00 . A A . 17 ASN HB2 1 1 9 3807 1 1 17 ASN HB3 H -2.605 20.024 5.254 1.00 . A A . 17 ASN HB3 1 1 9 3808 1 1 17 ASN HD21 H -1.970 20.974 7.035 1.00 . A A . 17 ASN HD21 1 1 9 3809 1 1 17 ASN HD22 H -1.943 20.277 8.615 1.00 . A A . 17 ASN HD22 1 1 9 3810 1 1 17 ASN N N -5.071 19.945 5.128 1.00 . A A . 17 ASN N 1 1 9 3811 1 1 17 ASN ND2 N -2.121 20.228 7.653 1.00 . A A . 17 ASN ND2 1 1 9 3812 1 1 17 ASN O O -5.312 18.405 7.490 1.00 . A A . 17 ASN O 1 1 9 3813 1 1 17 ASN OD1 O -2.809 18.101 7.860 1.00 . A A . 17 ASN OD1 1 1 9 3814 1 1 18 GLY C C -4.989 14.270 7.121 1.00 . A A . 18 GLY C 1 1 9 3815 1 1 18 GLY CA C -5.540 15.678 7.228 1.00 . A A . 18 GLY CA 1 1 9 3816 1 1 18 GLY H H -4.647 16.208 5.383 1.00 . A A . 18 GLY H 1 1 9 3817 1 1 18 GLY HA2 H -5.317 16.068 8.210 1.00 . A A . 18 GLY HA2 1 1 9 3818 1 1 18 GLY HA3 H -6.612 15.642 7.101 1.00 . A A . 18 GLY HA3 1 1 9 3819 1 1 18 GLY N N -4.980 16.571 6.231 1.00 . A A . 18 GLY N 1 1 9 3820 1 1 18 GLY O O -5.529 13.337 7.716 1.00 . A A . 18 GLY O 1 1 9 3821 1 1 19 TYR C C -2.664 12.313 7.475 1.00 . A A . 19 TYR C 1 1 9 3822 1 1 19 TYR CA C -3.288 12.810 6.174 1.00 . A A . 19 TYR CA 1 1 9 3823 1 1 19 TYR CB C -2.223 12.882 5.079 1.00 . A A . 19 TYR CB 1 1 9 3824 1 1 19 TYR CD1 C -3.005 10.878 3.756 1.00 . A A . 19 TYR CD1 1 1 9 3825 1 1 19 TYR CD2 C -0.705 10.992 4.371 1.00 . A A . 19 TYR CD2 1 1 9 3826 1 1 19 TYR CE1 C -2.781 9.669 3.126 1.00 . A A . 19 TYR CE1 1 1 9 3827 1 1 19 TYR CE2 C -0.472 9.784 3.742 1.00 . A A . 19 TYR CE2 1 1 9 3828 1 1 19 TYR CG C -1.973 11.559 4.389 1.00 . A A . 19 TYR CG 1 1 9 3829 1 1 19 TYR CZ C -1.513 9.127 3.121 1.00 . A A . 19 TYR CZ 1 1 9 3830 1 1 19 TYR H H -3.526 14.897 5.912 1.00 . A A . 19 TYR H 1 1 9 3831 1 1 19 TYR HA H -4.058 12.116 5.869 1.00 . A A . 19 TYR HA 1 1 9 3832 1 1 19 TYR HB2 H -2.534 13.592 4.329 1.00 . A A . 19 TYR HB2 1 1 9 3833 1 1 19 TYR HB3 H -1.290 13.210 5.514 1.00 . A A . 19 TYR HB3 1 1 9 3834 1 1 19 TYR HD1 H -3.997 11.306 3.761 1.00 . A A . 19 TYR HD1 1 1 9 3835 1 1 19 TYR HD2 H 0.109 11.509 4.858 1.00 . A A . 19 TYR HD2 1 1 9 3836 1 1 19 TYR HE1 H -3.597 9.154 2.639 1.00 . A A . 19 TYR HE1 1 1 9 3837 1 1 19 TYR HE2 H 0.521 9.359 3.738 1.00 . A A . 19 TYR HE2 1 1 9 3838 1 1 19 TYR HH H -0.825 8.077 1.665 1.00 . A A . 19 TYR HH 1 1 9 3839 1 1 19 TYR N N -3.911 14.115 6.360 1.00 . A A . 19 TYR N 1 1 9 3840 1 1 19 TYR O O -2.804 12.943 8.524 1.00 . A A . 19 TYR O 1 1 9 3841 1 1 19 TYR OH O -1.286 7.923 2.493 1.00 . A A . 19 TYR OH 1 1 9 3842 1 1 20 LEU C C -0.220 11.509 9.087 1.00 . A A . 20 LEU C 1 1 9 3843 1 1 20 LEU CA C -1.327 10.598 8.567 1.00 . A A . 20 LEU CA 1 1 9 3844 1 1 20 LEU CB C -0.752 9.222 8.224 1.00 . A A . 20 LEU CB 1 1 9 3845 1 1 20 LEU CD1 C -1.659 8.256 10.352 1.00 . A A . 20 LEU CD1 1 1 9 3846 1 1 20 LEU CD2 C -0.116 6.901 8.924 1.00 . A A . 20 LEU CD2 1 1 9 3847 1 1 20 LEU CG C -0.466 8.300 9.410 1.00 . A A . 20 LEU CG 1 1 9 3848 1 1 20 LEU H H -1.898 10.725 6.534 1.00 . A A . 20 LEU H 1 1 9 3849 1 1 20 LEU HA H -2.075 10.484 9.338 1.00 . A A . 20 LEU HA 1 1 9 3850 1 1 20 LEU HB2 H -1.456 8.722 7.578 1.00 . A A . 20 LEU HB2 1 1 9 3851 1 1 20 LEU HB3 H 0.176 9.376 7.692 1.00 . A A . 20 LEU HB3 1 1 9 3852 1 1 20 LEU HD11 H -2.556 8.051 9.788 1.00 . A A . 20 LEU HD11 1 1 9 3853 1 1 20 LEU HD12 H -1.758 9.208 10.852 1.00 . A A . 20 LEU HD12 1 1 9 3854 1 1 20 LEU HD13 H -1.509 7.478 11.086 1.00 . A A . 20 LEU HD13 1 1 9 3855 1 1 20 LEU HD21 H -0.526 6.170 9.606 1.00 . A A . 20 LEU HD21 1 1 9 3856 1 1 20 LEU HD22 H 0.958 6.793 8.883 1.00 . A A . 20 LEU HD22 1 1 9 3857 1 1 20 LEU HD23 H -0.531 6.747 7.938 1.00 . A A . 20 LEU HD23 1 1 9 3858 1 1 20 LEU HG H 0.380 8.685 9.961 1.00 . A A . 20 LEU HG 1 1 9 3859 1 1 20 LEU N N -1.974 11.181 7.397 1.00 . A A . 20 LEU N 1 1 9 3860 1 1 20 LEU O O 0.239 12.410 8.384 1.00 . A A . 20 LEU O 1 1 9 3861 1 1 21 CYS C C 2.634 11.456 10.661 1.00 . A A . 21 CYS C 1 1 9 3862 1 1 21 CYS CA C 1.262 12.064 10.937 1.00 . A A . 21 CYS CA 1 1 9 3863 1 1 21 CYS CB C 1.034 12.172 12.446 1.00 . A A . 21 CYS CB 1 1 9 3864 1 1 21 CYS H H -0.198 10.535 10.834 1.00 . A A . 21 CYS H 1 1 9 3865 1 1 21 CYS HA H 1.226 13.052 10.505 1.00 . A A . 21 CYS HA 1 1 9 3866 1 1 21 CYS HB2 H 0.127 11.646 12.704 1.00 . A A . 21 CYS HB2 1 1 9 3867 1 1 21 CYS HB3 H 1.867 11.717 12.962 1.00 . A A . 21 CYS HB3 1 1 9 3868 1 1 21 CYS N N 0.207 11.267 10.322 1.00 . A A . 21 CYS N 1 1 9 3869 1 1 21 CYS O O 2.772 10.576 9.810 1.00 . A A . 21 CYS O 1 1 9 3870 1 1 21 CYS SG S 0.873 13.882 13.053 1.00 . A A . 21 CYS SG 1 1 9 3871 1 1 22 . C C 5.414 11.500 9.756 1.00 . A A . 22 DBB C 1 1 9 3872 1 1 22 . CA C 4.997 11.445 11.214 1.00 . A A . 22 DBB CA 1 1 9 3873 1 1 22 . CB C 5.984 12.272 12.064 1.00 . A A . 22 DBB CB 1 1 9 3874 1 1 22 . CG C 5.468 12.324 13.502 1.00 . A A . 22 DBB CG 1 1 9 3875 1 1 22 . H H 3.458 12.636 12.047 1.00 . A A . 22 DBB H 1 1 9 3876 1 1 22 . HA H 5.034 10.420 11.551 1.00 . A A . 22 DBB HA 1 1 9 3877 1 1 22 . HB3 H 5.975 13.281 11.669 1.00 . A A . 22 DBB HB3 1 1 9 3878 1 1 22 . HG1 H 5.072 13.306 13.705 1.00 . A A . 22 DBB HG1 1 1 9 3879 1 1 22 . HG2 H 6.277 12.111 14.184 1.00 . A A . 22 DBB HG2 1 1 9 3880 1 1 22 . HG3 H 4.686 11.588 13.624 1.00 . A A . 22 DBB HG3 1 1 9 3881 1 1 22 . N N 3.637 11.929 11.381 1.00 . A A . 22 DBB N 1 1 9 3882 1 1 22 . O O 6.151 10.636 9.280 1.00 . A A . 22 DBB O 1 1 9 3883 1 1 23 VAL C C 5.749 14.064 7.323 1.00 . A A . 23 VAL C 1 1 9 3884 1 1 23 VAL CA C 5.235 12.661 7.624 1.00 . A A . 23 VAL CA 1 1 9 3885 1 1 23 VAL CB C 4.001 12.379 6.747 1.00 . A A . 23 VAL CB 1 1 9 3886 1 1 23 VAL CG1 C 4.412 12.176 5.296 1.00 . A A . 23 VAL CG1 1 1 9 3887 1 1 23 VAL CG2 C 3.242 11.168 7.268 1.00 . A A . 23 VAL CG2 1 1 9 3888 1 1 23 VAL H H 4.343 13.165 9.477 1.00 . A A . 23 VAL H 1 1 9 3889 1 1 23 VAL HA H 6.002 11.945 7.371 1.00 . A A . 23 VAL HA 1 1 9 3890 1 1 23 VAL HB H 3.346 13.237 6.795 1.00 . A A . 23 VAL HB 1 1 9 3891 1 1 23 VAL HG11 H 4.389 13.125 4.780 1.00 . A A . 23 VAL HG11 1 1 9 3892 1 1 23 VAL HG12 H 5.412 11.768 5.259 1.00 . A A . 23 VAL HG12 1 1 9 3893 1 1 23 VAL HG13 H 3.726 11.492 4.820 1.00 . A A . 23 VAL HG13 1 1 9 3894 1 1 23 VAL HG21 H 3.888 10.586 7.908 1.00 . A A . 23 VAL HG21 1 1 9 3895 1 1 23 VAL HG22 H 2.381 11.499 7.830 1.00 . A A . 23 VAL HG22 1 1 9 3896 1 1 23 VAL HG23 H 2.917 10.560 6.436 1.00 . A A . 23 VAL HG23 1 1 9 3897 1 1 23 VAL N N 4.925 12.508 9.041 1.00 . A A . 23 VAL N 1 1 9 3898 1 1 23 VAL O O 5.307 15.041 7.931 1.00 . A A . 23 VAL O 1 1 9 3899 1 1 24 . C C 8.275 15.891 7.037 1.00 . A A . 24 DBB C 1 1 9 3900 1 1 24 . CA C 7.261 15.432 6.005 1.00 . A A . 24 DBB CA 1 1 9 3901 1 1 24 . CB C 7.939 15.337 4.623 1.00 . A A . 24 DBB CB 1 1 9 3902 1 1 24 . CG C 7.244 14.244 3.810 1.00 . A A . 24 DBB CG 1 1 9 3903 1 1 24 . H H 6.989 13.334 5.937 1.00 . A A . 24 DBB H 1 1 9 3904 1 1 24 . HA H 6.467 16.161 5.946 1.00 . A A . 24 DBB HA 1 1 9 3905 1 1 24 . HB3 H 8.963 15.026 4.793 1.00 . A A . 24 DBB HB3 1 1 9 3906 1 1 24 . HG1 H 6.183 14.277 4.002 1.00 . A A . 24 DBB HG1 1 1 9 3907 1 1 24 . HG2 H 7.635 13.280 4.094 1.00 . A A . 24 DBB HG2 1 1 9 3908 1 1 24 . HG3 H 7.425 14.416 2.759 1.00 . A A . 24 DBB HG3 1 1 9 3909 1 1 24 . N N 6.678 14.156 6.386 1.00 . A A . 24 DBB N 1 1 9 3910 1 1 24 . O O 8.490 15.222 8.049 1.00 . A A . 24 DBB O 1 1 9 3911 1 1 25 LYS C C 9.729 17.033 9.090 1.00 . A A . 25 LYS C 1 1 9 3912 1 1 25 LYS CA C 9.925 17.564 7.674 1.00 . A A . 25 LYS CA 1 1 9 3913 1 1 25 LYS CB C 9.871 19.093 7.679 1.00 . A A . 25 LYS CB 1 1 9 3914 1 1 25 LYS CD C 10.765 21.032 6.356 1.00 . A A . 25 LYS CD 1 1 9 3915 1 1 25 LYS CE C 11.792 22.121 6.627 1.00 . A A . 25 LYS CE 1 1 9 3916 1 1 25 LYS CG C 11.109 19.748 7.092 1.00 . A A . 25 LYS CG 1 1 9 3917 1 1 25 LYS H H 8.698 17.514 5.949 1.00 . A A . 25 LYS H 1 1 9 3918 1 1 25 LYS HA H 10.892 17.248 7.314 1.00 . A A . 25 LYS HA 1 1 9 3919 1 1 25 LYS HB2 H 9.013 19.413 7.105 1.00 . A A . 25 LYS HB2 1 1 9 3920 1 1 25 LYS HB3 H 9.758 19.434 8.698 1.00 . A A . 25 LYS HB3 1 1 9 3921 1 1 25 LYS HD2 H 10.739 20.834 5.295 1.00 . A A . 25 LYS HD2 1 1 9 3922 1 1 25 LYS HD3 H 9.794 21.376 6.684 1.00 . A A . 25 LYS HD3 1 1 9 3923 1 1 25 LYS HE2 H 11.388 23.068 6.302 1.00 . A A . 25 LYS HE2 1 1 9 3924 1 1 25 LYS HE3 H 11.986 22.158 7.689 1.00 . A A . 25 LYS HE3 1 1 9 3925 1 1 25 LYS HG2 H 11.798 19.977 7.891 1.00 . A A . 25 LYS HG2 1 1 9 3926 1 1 25 LYS HG3 H 11.574 19.060 6.399 1.00 . A A . 25 LYS HG3 1 1 9 3927 1 1 25 LYS HZ1 H 12.906 21.248 5.090 1.00 . A A . 25 LYS HZ1 1 1 9 3928 1 1 25 LYS HZ2 H 13.754 21.408 6.546 1.00 . A A . 25 LYS HZ2 1 1 9 3929 1 1 25 LYS HZ3 H 13.477 22.765 5.574 1.00 . A A . 25 LYS HZ3 1 1 9 3930 1 1 25 LYS N N 8.913 17.026 6.772 1.00 . A A . 25 LYS N 1 1 9 3931 1 1 25 LYS NZ N 13.072 21.868 5.909 1.00 . A A . 25 LYS NZ 1 1 9 3932 1 1 25 LYS O O 10.697 16.784 9.808 1.00 . A A . 25 LYS O 1 1 9 3933 1 1 26 GLU C C 8.949 15.096 11.127 1.00 . A A . 26 GLU C 1 1 9 3934 1 1 26 GLU CA C 8.150 16.357 10.815 1.00 . A A . 26 GLU CA 1 1 9 3935 1 1 26 GLU CB C 6.652 16.066 10.927 1.00 . A A . 26 GLU CB 1 1 9 3936 1 1 26 GLU CD C 4.319 16.950 10.528 1.00 . A A . 26 GLU CD 1 1 9 3937 1 1 26 GLU CG C 5.783 17.036 10.142 1.00 . A A . 26 GLU CG 1 1 9 3938 1 1 26 GLU H H 7.742 17.076 8.866 1.00 . A A . 26 GLU H 1 1 9 3939 1 1 26 GLU HA H 8.413 17.122 11.530 1.00 . A A . 26 GLU HA 1 1 9 3940 1 1 26 GLU HB2 H 6.463 15.068 10.561 1.00 . A A . 26 GLU HB2 1 1 9 3941 1 1 26 GLU HB3 H 6.365 16.119 11.966 1.00 . A A . 26 GLU HB3 1 1 9 3942 1 1 26 GLU HG2 H 6.130 18.041 10.328 1.00 . A A . 26 GLU HG2 1 1 9 3943 1 1 26 GLU HG3 H 5.877 16.812 9.090 1.00 . A A . 26 GLU HG3 1 1 9 3944 1 1 26 GLU N N 8.471 16.860 9.484 1.00 . A A . 26 GLU N 1 1 9 3945 1 1 26 GLU O O 9.558 14.980 12.191 1.00 . A A . 26 GLU O 1 1 9 3946 1 1 26 GLU OE1 O 3.947 15.992 11.237 1.00 . A A . 26 GLU OE1 1 1 9 3947 1 1 26 GLU OE2 O 3.546 17.842 10.121 1.00 . A A . 26 GLU OE2 1 1 9 3948 1 1 27 CYS C C 10.644 12.670 9.217 1.00 . A A . 27 CYS C 1 1 9 3949 1 1 27 CYS CA C 9.665 12.897 10.365 1.00 . A A . 27 CYS CA 1 1 9 3950 1 1 27 CYS CB C 8.683 11.727 10.452 1.00 . A A . 27 CYS CB 1 1 9 3951 1 1 27 CYS H H 8.439 14.302 9.364 1.00 . A A . 27 CYS H 1 1 9 3952 1 1 27 CYS HA H 10.220 12.959 11.289 1.00 . A A . 27 CYS HA 1 1 9 3953 1 1 27 CYS HB2 H 7.989 11.788 9.627 1.00 . A A . 27 CYS HB2 1 1 9 3954 1 1 27 CYS HB3 H 9.233 10.800 10.386 1.00 . A A . 27 CYS HB3 1 1 9 3955 1 1 27 CYS N N 8.942 14.152 10.192 1.00 . A A . 27 CYS N 1 1 9 3956 1 1 27 CYS O O 11.534 11.825 9.306 1.00 . A A . 27 CYS O 1 1 9 3957 1 1 27 CYS SG S 7.709 11.686 11.991 1.00 . A A . 27 CYS SG 1 1 9 3958 1 1 28 MET C C 11.902 14.675 6.577 1.00 . A A . 28 MET C 1 1 9 3959 1 1 28 MET CA C 11.342 13.313 6.976 1.00 . A A . 28 MET CA 1 1 9 3960 1 1 28 MET CB C 10.577 12.699 5.802 1.00 . A A . 28 MET CB 1 1 9 3961 1 1 28 MET CE C 8.264 9.644 7.449 1.00 . A A . 28 MET CE 1 1 9 3962 1 1 28 MET CG C 10.011 11.320 6.100 1.00 . A A . 28 MET CG 1 1 9 3963 1 1 28 MET H H 9.745 14.087 8.130 1.00 . A A . 28 MET H 1 1 9 3964 1 1 28 MET HA H 12.162 12.662 7.240 1.00 . A A . 28 MET HA 1 1 9 3965 1 1 28 MET HB2 H 9.758 13.352 5.541 1.00 . A A . 28 MET HB2 1 1 9 3966 1 1 28 MET HB3 H 11.244 12.615 4.957 1.00 . A A . 28 MET HB3 1 1 9 3967 1 1 28 MET HE1 H 7.258 9.371 7.165 1.00 . A A . 28 MET HE1 1 1 9 3968 1 1 28 MET HE2 H 8.970 9.060 6.878 1.00 . A A . 28 MET HE2 1 1 9 3969 1 1 28 MET HE3 H 8.405 9.453 8.502 1.00 . A A . 28 MET HE3 1 1 9 3970 1 1 28 MET HG2 H 9.768 10.835 5.167 1.00 . A A . 28 MET HG2 1 1 9 3971 1 1 28 MET HG3 H 10.762 10.743 6.619 1.00 . A A . 28 MET HG3 1 1 9 3972 1 1 28 MET N N 10.472 13.431 8.141 1.00 . A A . 28 MET N 1 1 9 3973 1 1 28 MET O O 11.177 15.566 6.137 1.00 . A A . 28 MET O 1 1 9 3974 1 1 28 MET SD S 8.524 11.385 7.119 1.00 . A A . 28 MET SD 1 1 9 3975 1 1 29 PRO C C 13.958 16.336 4.890 1.00 . A A . 29 PRO C 1 1 9 3976 1 1 29 PRO CA C 13.910 16.091 6.394 1.00 . A A . 29 PRO CA 1 1 9 3977 1 1 29 PRO CB C 15.322 15.881 6.947 1.00 . A A . 29 PRO CB 1 1 9 3978 1 1 29 PRO CD C 14.150 13.820 7.252 1.00 . A A . 29 PRO CD 1 1 9 3979 1 1 29 PRO CG C 15.506 14.403 6.966 1.00 . A A . 29 PRO CG 1 1 9 3980 1 1 29 PRO HA H 13.453 16.939 6.882 1.00 . A A . 29 PRO HA 1 1 9 3981 1 1 29 PRO HB2 H 16.041 16.361 6.298 1.00 . A A . 29 PRO HB2 1 1 9 3982 1 1 29 PRO HB3 H 15.390 16.299 7.940 1.00 . A A . 29 PRO HB3 1 1 9 3983 1 1 29 PRO HD2 H 14.024 12.883 6.730 1.00 . A A . 29 PRO HD2 1 1 9 3984 1 1 29 PRO HD3 H 14.015 13.683 8.315 1.00 . A A . 29 PRO HD3 1 1 9 3985 1 1 29 PRO HG2 H 15.864 14.065 6.005 1.00 . A A . 29 PRO HG2 1 1 9 3986 1 1 29 PRO HG3 H 16.203 14.130 7.744 1.00 . A A . 29 PRO HG3 1 1 9 3987 1 1 29 PRO N N 13.224 14.840 6.733 1.00 . A A . 29 PRO N 1 1 9 3988 1 1 29 PRO O O 14.243 17.447 4.442 1.00 . A A . 29 PRO O 1 1 9 3989 1 1 30 SER C C 12.413 16.049 2.149 1.00 . A A . 30 SER C 1 1 9 3990 1 1 30 SER CA C 13.693 15.395 2.661 1.00 . A A . 30 SER CA 1 1 9 3991 1 1 30 SER CB C 13.858 14.010 2.033 1.00 . A A . 30 SER CB 1 1 9 3992 1 1 30 SER H H 13.459 14.433 4.533 1.00 . A A . 30 SER H 1 1 9 3993 1 1 30 SER HA H 14.534 16.011 2.380 1.00 . A A . 30 SER HA 1 1 9 3994 1 1 30 SER HB2 H 14.607 13.457 2.579 1.00 . A A . 30 SER HB2 1 1 9 3995 1 1 30 SER HB3 H 12.916 13.482 2.079 1.00 . A A . 30 SER HB3 1 1 9 3996 1 1 30 SER HG H 13.659 13.603 0.127 1.00 . A A . 30 SER HG 1 1 9 3997 1 1 30 SER N N 13.678 15.293 4.116 1.00 . A A . 30 SER N 1 1 9 3998 1 1 30 SER O O 11.977 15.793 1.026 1.00 . A A . 30 SER O 1 1 9 3999 1 1 30 SER OG O 14.261 14.109 0.678 1.00 . A A . 30 SER OG 1 1 9 4000 1 1 31 CYS C C 10.887 18.947 1.998 1.00 . A A . 31 CYS C 1 1 9 4001 1 1 31 CYS CA C 10.583 17.585 2.616 1.00 . A A . 31 CYS CA 1 1 9 4002 1 1 31 CYS CB C 9.688 17.759 3.844 1.00 . A A . 31 CYS CB 1 1 9 4003 1 1 31 CYS H H 12.210 17.057 3.864 1.00 . A A . 31 CYS H 1 1 9 4004 1 1 31 CYS HA H 10.067 16.980 1.887 1.00 . A A . 31 CYS HA 1 1 9 4005 1 1 31 CYS HB2 H 10.185 17.337 4.706 1.00 . A A . 31 CYS HB2 1 1 9 4006 1 1 31 CYS HB3 H 9.521 18.812 4.012 1.00 . A A . 31 CYS HB3 1 1 9 4007 1 1 31 CYS N N 11.814 16.894 2.982 1.00 . A A . 31 CYS N 1 1 9 4008 1 1 31 CYS O O 11.902 19.568 2.309 1.00 . A A . 31 CYS O 1 1 9 4009 1 1 31 CYS SG S 8.060 16.955 3.697 1.00 . A A . 31 CYS SG 1 1 9 4010 1 1 32 ASN C C 9.300 21.760 1.110 1.00 . A A . 32 ASN C 1 1 9 4011 1 1 32 ASN CA C 10.172 20.691 0.458 1.00 . A A . 32 ASN CA 1 1 9 4012 1 1 32 ASN CB C 9.829 20.573 -1.028 1.00 . A A . 32 ASN CB 1 1 9 4013 1 1 32 ASN CG C 10.988 20.040 -1.849 1.00 . A A . 32 ASN CG 1 1 9 4014 1 1 32 ASN H H 9.209 18.862 0.914 1.00 . A A . 32 ASN H 1 1 9 4015 1 1 32 ASN HA H 11.208 20.978 0.558 1.00 . A A . 32 ASN HA 1 1 9 4016 1 1 32 ASN HB2 H 8.991 19.902 -1.146 1.00 . A A . 32 ASN HB2 1 1 9 4017 1 1 32 ASN HB3 H 9.561 21.547 -1.408 1.00 . A A . 32 ASN HB3 1 1 9 4018 1 1 32 ASN HD21 H 10.716 21.467 -3.206 1.00 . A A . 32 ASN HD21 1 1 9 4019 1 1 32 ASN HD22 H 12.009 20.366 -3.522 1.00 . A A . 32 ASN HD22 1 1 9 4020 1 1 32 ASN N N 9.999 19.403 1.121 1.00 . A A . 32 ASN N 1 1 9 4021 1 1 32 ASN ND2 N 11.266 20.690 -2.972 1.00 . A A . 32 ASN ND2 1 1 9 4022 1 1 32 ASN O O 9.743 22.887 1.330 1.00 . A A . 32 ASN O 1 1 9 4023 1 1 32 ASN OD1 O 11.625 19.055 -1.476 1.00 . A A . 32 ASN OD1 1 1 10 4024 1 1 1 2KT C1 C 8.366 5.366 9.043 1.00 . A A . 1 2KT C1 1 1 10 4025 1 1 1 2KT C2 C 9.193 5.447 7.992 1.00 . A A . 1 2KT C2 1 1 10 4026 1 1 1 2KT C3 C 8.822 5.014 6.855 1.00 . A A . 1 2KT C3 1 1 10 4027 1 1 1 2KT C4 C 8.831 3.729 6.750 1.00 . A A . 1 2KT C4 1 1 10 4028 1 1 1 2KT H31 H 9.377 5.198 6.044 1.00 . A A . 1 2KT H31 1 1 10 4029 1 1 1 2KT H32 H 7.943 5.301 6.473 1.00 . A A . 1 2KT H32 1 1 10 4030 1 1 1 2KT H41 H 8.523 3.294 5.904 1.00 . A A . 1 2KT H41 1 1 10 4031 1 1 1 2KT H42 H 9.690 3.225 6.844 1.00 . A A . 1 2KT H42 1 1 10 4032 1 1 1 2KT H43 H 8.290 3.172 7.381 1.00 . A A . 1 2KT H43 1 1 10 4033 1 1 1 2KT O1 O 7.270 4.832 8.875 1.00 . A A . 1 2KT O1 1 1 10 4034 1 1 1 2KT O3 O 10.310 5.946 8.157 1.00 . A A . 1 2KT O3 1 1 10 4035 1 1 2 ILE C C 6.778 6.830 11.304 1.00 . A A . 2 ILE C 1 1 10 4036 1 1 2 ILE CA C 7.903 5.804 11.391 1.00 . A A . 2 ILE CA 1 1 10 4037 1 1 2 ILE CB C 8.706 6.048 12.682 1.00 . A A . 2 ILE CB 1 1 10 4038 1 1 2 ILE CD1 C 10.853 5.386 13.879 1.00 . A A . 2 ILE CD1 1 1 10 4039 1 1 2 ILE CG1 C 10.098 5.423 12.568 1.00 . A A . 2 ILE CG1 1 1 10 4040 1 1 2 ILE CG2 C 7.963 5.482 13.883 1.00 . A A . 2 ILE CG2 1 1 10 4041 1 1 2 ILE H H 9.644 6.274 10.284 1.00 . A A . 2 ILE H 1 1 10 4042 1 1 2 ILE HA H 7.470 4.815 11.441 1.00 . A A . 2 ILE HA 1 1 10 4043 1 1 2 ILE HB H 8.807 7.113 12.821 1.00 . A A . 2 ILE HB 1 1 10 4044 1 1 2 ILE HD11 H 11.915 5.425 13.683 1.00 . A A . 2 ILE HD11 1 1 10 4045 1 1 2 ILE HD12 H 10.569 6.235 14.483 1.00 . A A . 2 ILE HD12 1 1 10 4046 1 1 2 ILE HD13 H 10.617 4.474 14.405 1.00 . A A . 2 ILE HD13 1 1 10 4047 1 1 2 ILE HG12 H 10.004 4.410 12.212 1.00 . A A . 2 ILE HG12 1 1 10 4048 1 1 2 ILE HG13 H 10.684 5.995 11.863 1.00 . A A . 2 ILE HG13 1 1 10 4049 1 1 2 ILE HG21 H 7.058 4.996 13.550 1.00 . A A . 2 ILE HG21 1 1 10 4050 1 1 2 ILE HG22 H 8.591 4.765 14.390 1.00 . A A . 2 ILE HG22 1 1 10 4051 1 1 2 ILE HG23 H 7.712 6.284 14.562 1.00 . A A . 2 ILE HG23 1 1 10 4052 1 1 2 ILE N N 8.759 5.860 10.212 1.00 . A A . 2 ILE N 1 1 10 4053 1 1 2 ILE O O 7.021 8.007 11.034 1.00 . A A . 2 ILE O 1 1 10 4054 1 1 3 . C C 3.191 6.502 10.929 1.00 . A A . 3 DBB C 1 1 10 4055 1 1 3 . CA C 4.393 7.247 11.476 1.00 . A A . 3 DBB CA 1 1 10 4056 1 1 3 . CB C 4.059 7.812 12.873 1.00 . A A . 3 DBB CB 1 1 10 4057 1 1 3 . CG C 5.329 8.413 13.475 1.00 . A A . 3 DBB CG 1 1 10 4058 1 1 3 . H H 5.432 5.422 11.744 1.00 . A A . 3 DBB H 1 1 10 4059 1 1 3 . HA H 4.622 8.074 10.821 1.00 . A A . 3 DBB HA 1 1 10 4060 1 1 3 . HB3 H 3.761 6.973 13.491 1.00 . A A . 3 DBB HB3 1 1 10 4061 1 1 3 . HG1 H 5.954 7.621 13.855 1.00 . A A . 3 DBB HG1 1 1 10 4062 1 1 3 . HG2 H 5.065 9.084 14.278 1.00 . A A . 3 DBB HG2 1 1 10 4063 1 1 3 . HG3 H 5.862 8.956 12.707 1.00 . A A . 3 DBB HG3 1 1 10 4064 1 1 3 . N N 5.557 6.378 11.533 1.00 . A A . 3 DBB N 1 1 10 4065 1 1 3 . O O 2.047 6.897 11.159 1.00 . A A . 3 DBB O 1 1 10 4066 1 1 4 LEU C C 1.124 4.678 10.449 1.00 . A A . 4 LEU C 1 1 10 4067 1 1 4 LEU CA C 2.380 4.640 9.585 1.00 . A A . 4 LEU CA 1 1 10 4068 1 1 4 LEU CB C 2.837 3.193 9.391 1.00 . A A . 4 LEU CB 1 1 10 4069 1 1 4 LEU CD1 C 5.053 3.293 8.225 1.00 . A A . 4 LEU CD1 1 1 10 4070 1 1 4 LEU CD2 C 3.467 1.423 7.732 1.00 . A A . 4 LEU CD2 1 1 10 4071 1 1 4 LEU CG C 3.591 2.896 8.095 1.00 . A A . 4 LEU CG 1 1 10 4072 1 1 4 LEU H H 4.380 5.165 10.038 1.00 . A A . 4 LEU H 1 1 10 4073 1 1 4 LEU HA H 2.153 5.070 8.621 1.00 . A A . 4 LEU HA 1 1 10 4074 1 1 4 LEU HB2 H 3.483 2.937 10.216 1.00 . A A . 4 LEU HB2 1 1 10 4075 1 1 4 LEU HB3 H 1.958 2.564 9.416 1.00 . A A . 4 LEU HB3 1 1 10 4076 1 1 4 LEU HD11 H 5.633 2.785 7.469 1.00 . A A . 4 LEU HD11 1 1 10 4077 1 1 4 LEU HD12 H 5.416 3.015 9.204 1.00 . A A . 4 LEU HD12 1 1 10 4078 1 1 4 LEU HD13 H 5.149 4.361 8.096 1.00 . A A . 4 LEU HD13 1 1 10 4079 1 1 4 LEU HD21 H 4.211 1.171 6.992 1.00 . A A . 4 LEU HD21 1 1 10 4080 1 1 4 LEU HD22 H 2.482 1.234 7.331 1.00 . A A . 4 LEU HD22 1 1 10 4081 1 1 4 LEU HD23 H 3.617 0.820 8.616 1.00 . A A . 4 LEU HD23 1 1 10 4082 1 1 4 LEU HG H 3.158 3.477 7.292 1.00 . A A . 4 LEU HG 1 1 10 4083 1 1 4 LEU N N 3.449 5.431 10.187 1.00 . A A . 4 LEU N 1 1 10 4084 1 1 4 LEU O O 1.196 4.424 11.656 1.00 . A A . 4 LEU O 1 1 10 4085 1 1 5 DHA C C -1.927 6.259 10.548 1.00 . A A . 5 DHA C 1 1 10 4086 1 1 5 DHA CA C -1.200 5.049 10.501 1.00 . A A . 5 DHA CA 1 1 10 4087 1 1 5 DHA CB C -1.692 3.952 11.089 1.00 . A A . 5 DHA CB 1 1 10 4088 1 1 5 DHA H H 0.063 5.169 8.867 1.00 . A A . 5 DHA H 1 1 10 4089 1 1 5 DHA HB1 H -1.143 3.022 11.046 1.00 . A A . 5 DHA HB1 1 1 10 4090 1 1 5 DHA HB2 H -2.648 3.985 11.578 1.00 . A A . 5 DHA HB2 1 1 10 4091 1 1 5 DHA N N -0.010 4.990 9.825 1.00 . A A . 5 DHA N 1 1 10 4092 1 1 5 DHA O O -2.626 6.623 9.596 1.00 . A A . 5 DHA O 1 1 10 4093 1 1 6 DBU C C -1.508 9.481 11.671 1.00 . A A . 6 DBU C 1 1 10 4094 1 1 6 DBU CA C -2.344 8.215 11.735 1.00 . A A . 6 DBU CA 1 1 10 4095 1 1 6 DBU CB C -3.675 8.294 11.889 1.00 . A A . 6 DBU CB 1 1 10 4096 1 1 6 DBU CG C -4.478 7.027 11.946 1.00 . A A . 6 DBU CG 1 1 10 4097 1 1 6 DBU H1 H -1.157 6.619 12.331 1.00 . A A . 6 DBU H1 1 1 10 4098 1 1 6 DBU HB1 H -4.154 9.258 11.976 1.00 . A A . 6 DBU HB1 1 1 10 4099 1 1 6 DBU HG1 H -5.529 7.266 11.923 1.00 . A A . 6 DBU HG1 1 1 10 4100 1 1 6 DBU HG2 H -4.257 6.500 12.860 1.00 . A A . 6 DBU HG2 1 1 10 4101 1 1 6 DBU HG3 H -4.224 6.408 11.097 1.00 . A A . 6 DBU HG3 1 1 10 4102 1 1 6 DBU N N -1.730 7.002 11.631 1.00 . A A . 6 DBU N 1 1 10 4103 1 1 6 DBU O O -2.020 10.592 11.805 1.00 . A A . 6 DBU O 1 1 10 4104 1 1 7 CYS C C 0.444 11.313 10.239 1.00 . A A . 7 CYS C 1 1 10 4105 1 1 7 CYS CA C 0.724 10.427 11.450 1.00 . A A . 7 CYS CA 1 1 10 4106 1 1 7 CYS CB C 2.168 9.923 11.404 1.00 . A A . 7 CYS CB 1 1 10 4107 1 1 7 CYS H H 0.146 8.391 11.394 1.00 . A A . 7 CYS H 1 1 10 4108 1 1 7 CYS HA H 0.583 11.010 12.347 1.00 . A A . 7 CYS HA 1 1 10 4109 1 1 7 CYS HB2 H 2.286 9.267 10.554 1.00 . A A . 7 CYS HB2 1 1 10 4110 1 1 7 CYS HB3 H 2.832 10.768 11.295 1.00 . A A . 7 CYS HB3 1 1 10 4111 1 1 7 CYS N N -0.203 9.302 11.495 1.00 . A A . 7 CYS N 1 1 10 4112 1 1 7 CYS O O 0.125 12.493 10.382 1.00 . A A . 7 CYS O 1 1 10 4113 1 1 7 CYS SG S 2.681 9.001 12.889 1.00 . A A . 7 CYS SG 1 1 10 4114 1 1 8 ALA C C -1.163 11.737 7.616 1.00 . A A . 8 ALA C 1 1 10 4115 1 1 8 ALA CA C 0.326 11.471 7.814 1.00 . A A . 8 ALA CA 1 1 10 4116 1 1 8 ALA CB C 0.890 10.707 6.625 1.00 . A A . 8 ALA CB 1 1 10 4117 1 1 8 ALA H H 0.825 9.791 9.000 1.00 . A A . 8 ALA H 1 1 10 4118 1 1 8 ALA HA H 0.844 12.417 7.882 1.00 . A A . 8 ALA HA 1 1 10 4119 1 1 8 ALA HB1 H 1.931 10.479 6.807 1.00 . A A . 8 ALA HB1 1 1 10 4120 1 1 8 ALA HB2 H 0.338 9.790 6.492 1.00 . A A . 8 ALA HB2 1 1 10 4121 1 1 8 ALA HB3 H 0.805 11.313 5.735 1.00 . A A . 8 ALA HB3 1 1 10 4122 1 1 8 ALA N N 0.567 10.735 9.049 1.00 . A A . 8 ALA N 1 1 10 4123 1 1 8 ALA O O -1.572 12.304 6.602 1.00 . A A . 8 ALA O 1 1 10 4124 1 1 9 ILE C C -3.833 12.773 9.277 1.00 . A A . 9 ILE C 1 1 10 4125 1 1 9 ILE CA C -3.411 11.518 8.520 1.00 . A A . 9 ILE CA 1 1 10 4126 1 1 9 ILE CB C -4.170 10.307 9.092 1.00 . A A . 9 ILE CB 1 1 10 4127 1 1 9 ILE CD1 C -4.686 7.866 8.588 1.00 . A A . 9 ILE CD1 1 1 10 4128 1 1 9 ILE CG1 C -3.733 9.023 8.384 1.00 . A A . 9 ILE CG1 1 1 10 4129 1 1 9 ILE CG2 C -5.671 10.509 8.954 1.00 . A A . 9 ILE CG2 1 1 10 4130 1 1 9 ILE H H -1.582 10.879 9.371 1.00 . A A . 9 ILE H 1 1 10 4131 1 1 9 ILE HA H -3.683 11.630 7.480 1.00 . A A . 9 ILE HA 1 1 10 4132 1 1 9 ILE HB H -3.937 10.228 10.143 1.00 . A A . 9 ILE HB 1 1 10 4133 1 1 9 ILE HD11 H -4.282 6.980 8.119 1.00 . A A . 9 ILE HD11 1 1 10 4134 1 1 9 ILE HD12 H -4.814 7.686 9.645 1.00 . A A . 9 ILE HD12 1 1 10 4135 1 1 9 ILE HD13 H -5.641 8.104 8.144 1.00 . A A . 9 ILE HD13 1 1 10 4136 1 1 9 ILE HG12 H -3.660 9.210 7.325 1.00 . A A . 9 ILE HG12 1 1 10 4137 1 1 9 ILE HG13 H -2.764 8.725 8.760 1.00 . A A . 9 ILE HG13 1 1 10 4138 1 1 9 ILE HG21 H -6.191 9.718 9.475 1.00 . A A . 9 ILE HG21 1 1 10 4139 1 1 9 ILE HG22 H -5.947 11.461 9.382 1.00 . A A . 9 ILE HG22 1 1 10 4140 1 1 9 ILE HG23 H -5.943 10.492 7.909 1.00 . A A . 9 ILE HG23 1 1 10 4141 1 1 9 ILE N N -1.968 11.324 8.589 1.00 . A A . 9 ILE N 1 1 10 4142 1 1 9 ILE O O -4.602 13.589 8.768 1.00 . A A . 9 ILE O 1 1 10 4143 1 1 10 LEU C C -2.569 15.151 11.204 1.00 . A A . 10 LEU C 1 1 10 4144 1 1 10 LEU CA C -3.647 14.078 11.323 1.00 . A A . 10 LEU CA 1 1 10 4145 1 1 10 LEU CB C -3.802 13.656 12.785 1.00 . A A . 10 LEU CB 1 1 10 4146 1 1 10 LEU CD1 C -4.763 15.871 13.459 1.00 . A A . 10 LEU CD1 1 1 10 4147 1 1 10 LEU CD2 C -6.277 13.914 13.088 1.00 . A A . 10 LEU CD2 1 1 10 4148 1 1 10 LEU CG C -4.906 14.361 13.574 1.00 . A A . 10 LEU CG 1 1 10 4149 1 1 10 LEU H H -2.717 12.237 10.847 1.00 . A A . 10 LEU H 1 1 10 4150 1 1 10 LEU HA H -4.583 14.485 10.973 1.00 . A A . 10 LEU HA 1 1 10 4151 1 1 10 LEU HB2 H -4.008 12.597 12.803 1.00 . A A . 10 LEU HB2 1 1 10 4152 1 1 10 LEU HB3 H -2.863 13.846 13.286 1.00 . A A . 10 LEU HB3 1 1 10 4153 1 1 10 LEU HD11 H -3.902 16.195 14.022 1.00 . A A . 10 LEU HD11 1 1 10 4154 1 1 10 LEU HD12 H -5.650 16.347 13.850 1.00 . A A . 10 LEU HD12 1 1 10 4155 1 1 10 LEU HD13 H -4.638 16.142 12.420 1.00 . A A . 10 LEU HD13 1 1 10 4156 1 1 10 LEU HD21 H -6.255 13.787 12.016 1.00 . A A . 10 LEU HD21 1 1 10 4157 1 1 10 LEU HD22 H -7.012 14.663 13.347 1.00 . A A . 10 LEU HD22 1 1 10 4158 1 1 10 LEU HD23 H -6.538 12.977 13.558 1.00 . A A . 10 LEU HD23 1 1 10 4159 1 1 10 LEU HG H -4.818 14.097 14.619 1.00 . A A . 10 LEU HG 1 1 10 4160 1 1 10 LEU N N -3.324 12.921 10.495 1.00 . A A . 10 LEU N 1 1 10 4161 1 1 10 LEU O O -2.475 16.053 12.038 1.00 . A A . 10 LEU O 1 1 10 4162 1 1 11 DAL C C -1.240 17.417 9.730 1.00 . A A . 11 DAL C 1 1 10 4163 1 1 11 DAL CA C -0.688 16.007 9.938 1.00 . A A . 11 DAL CA 1 1 10 4164 1 1 11 DAL CB C 0.275 16.002 11.122 1.00 . A A . 11 DAL CB 1 1 10 4165 1 1 11 DAL H H -1.876 14.310 9.528 1.00 . A A . 11 DAL H 1 1 10 4166 1 1 11 DAL HA H -0.153 15.704 9.051 1.00 . A A . 11 DAL HA 1 1 10 4167 1 1 11 DAL HB2 H 1.279 16.150 10.755 1.00 . A A . 11 DAL HB2 1 1 10 4168 1 1 11 DAL HB3 H 0.218 15.038 11.618 1.00 . A A . 11 DAL HB3 1 1 10 4169 1 1 11 DAL N N -1.758 15.050 10.164 1.00 . A A . 11 DAL N 1 1 10 4170 1 1 11 DAL O O -0.538 18.410 9.921 1.00 . A A . 11 DAL O 1 1 10 4171 1 1 12 LYS C C -4.505 18.579 8.404 1.00 . A A . 12 LYS C 1 1 10 4172 1 1 12 LYS CA C -3.158 18.774 9.093 1.00 . A A . 12 LYS CA 1 1 10 4173 1 1 12 LYS CB C -2.262 19.673 8.238 1.00 . A A . 12 LYS CB 1 1 10 4174 1 1 12 LYS CD C -0.970 19.931 6.099 1.00 . A A . 12 LYS CD 1 1 10 4175 1 1 12 LYS CE C -0.302 19.208 4.939 1.00 . A A . 12 LYS CE 1 1 10 4176 1 1 12 LYS CG C -1.621 18.954 7.064 1.00 . A A . 12 LYS CG 1 1 10 4177 1 1 12 LYS H H -3.015 16.665 9.197 1.00 . A A . 12 LYS H 1 1 10 4178 1 1 12 LYS HA H -3.321 19.247 10.049 1.00 . A A . 12 LYS HA 1 1 10 4179 1 1 12 LYS HB2 H -2.855 20.490 7.853 1.00 . A A . 12 LYS HB2 1 1 10 4180 1 1 12 LYS HB3 H -1.475 20.074 8.861 1.00 . A A . 12 LYS HB3 1 1 10 4181 1 1 12 LYS HD2 H -1.727 20.595 5.707 1.00 . A A . 12 LYS HD2 1 1 10 4182 1 1 12 LYS HD3 H -0.225 20.506 6.631 1.00 . A A . 12 LYS HD3 1 1 10 4183 1 1 12 LYS HE2 H -0.929 18.383 4.638 1.00 . A A . 12 LYS HE2 1 1 10 4184 1 1 12 LYS HE3 H -0.195 19.899 4.116 1.00 . A A . 12 LYS HE3 1 1 10 4185 1 1 12 LYS HG2 H -0.867 18.277 7.436 1.00 . A A . 12 LYS HG2 1 1 10 4186 1 1 12 LYS HG3 H -2.382 18.395 6.537 1.00 . A A . 12 LYS HG3 1 1 10 4187 1 1 12 LYS HZ1 H 1.323 19.054 6.242 1.00 . A A . 12 LYS HZ1 1 1 10 4188 1 1 12 LYS HZ2 H 1.747 18.979 4.606 1.00 . A A . 12 LYS HZ2 1 1 10 4189 1 1 12 LYS HZ3 H 1.022 17.647 5.353 1.00 . A A . 12 LYS HZ3 1 1 10 4190 1 1 12 LYS N N -2.506 17.492 9.332 1.00 . A A . 12 LYS N 1 1 10 4191 1 1 12 LYS NZ N 1.041 18.685 5.312 1.00 . A A . 12 LYS NZ 1 1 10 4192 1 1 12 LYS O O -4.719 19.012 7.272 1.00 . A A . 12 LYS O 1 1 10 4193 1 1 13 PRO C C -7.622 18.916 8.475 1.00 . A A . 13 PRO C 1 1 10 4194 1 1 13 PRO CA C -6.780 17.649 8.580 1.00 . A A . 13 PRO CA 1 1 10 4195 1 1 13 PRO CB C -7.381 16.691 9.612 1.00 . A A . 13 PRO CB 1 1 10 4196 1 1 13 PRO CD C -5.251 17.370 10.459 1.00 . A A . 13 PRO CD 1 1 10 4197 1 1 13 PRO CG C -6.644 16.983 10.873 1.00 . A A . 13 PRO CG 1 1 10 4198 1 1 13 PRO HA H -6.741 17.163 7.615 1.00 . A A . 13 PRO HA 1 1 10 4199 1 1 13 PRO HB2 H -8.439 16.888 9.716 1.00 . A A . 13 PRO HB2 1 1 10 4200 1 1 13 PRO HB3 H -7.228 15.671 9.293 1.00 . A A . 13 PRO HB3 1 1 10 4201 1 1 13 PRO HD2 H -4.855 18.122 11.125 1.00 . A A . 13 PRO HD2 1 1 10 4202 1 1 13 PRO HD3 H -4.608 16.503 10.441 1.00 . A A . 13 PRO HD3 1 1 10 4203 1 1 13 PRO HG2 H -7.120 17.798 11.396 1.00 . A A . 13 PRO HG2 1 1 10 4204 1 1 13 PRO HG3 H -6.618 16.101 11.495 1.00 . A A . 13 PRO HG3 1 1 10 4205 1 1 13 PRO N N -5.437 17.914 9.103 1.00 . A A . 13 PRO N 1 1 10 4206 1 1 13 PRO O O -7.184 19.999 8.866 1.00 . A A . 13 PRO O 1 1 10 4207 1 1 14 LEU C C -10.451 20.218 9.103 1.00 . A A . 14 LEU C 1 1 10 4208 1 1 14 LEU CA C -9.737 19.908 7.791 1.00 . A A . 14 LEU CA 1 1 10 4209 1 1 14 LEU CB C -10.764 19.620 6.694 1.00 . A A . 14 LEU CB 1 1 10 4210 1 1 14 LEU CD1 C -12.839 18.606 7.667 1.00 . A A . 14 LEU CD1 1 1 10 4211 1 1 14 LEU CD2 C -11.932 17.752 5.499 1.00 . A A . 14 LEU CD2 1 1 10 4212 1 1 14 LEU CG C -11.580 18.337 6.858 1.00 . A A . 14 LEU CG 1 1 10 4213 1 1 14 LEU H H -9.126 17.887 7.653 1.00 . A A . 14 LEU H 1 1 10 4214 1 1 14 LEU HA H -9.147 20.766 7.505 1.00 . A A . 14 LEU HA 1 1 10 4215 1 1 14 LEU HB2 H -11.454 20.449 6.662 1.00 . A A . 14 LEU HB2 1 1 10 4216 1 1 14 LEU HB3 H -10.234 19.559 5.754 1.00 . A A . 14 LEU HB3 1 1 10 4217 1 1 14 LEU HD11 H -13.242 19.570 7.397 1.00 . A A . 14 LEU HD11 1 1 10 4218 1 1 14 LEU HD12 H -12.599 18.597 8.720 1.00 . A A . 14 LEU HD12 1 1 10 4219 1 1 14 LEU HD13 H -13.571 17.838 7.459 1.00 . A A . 14 LEU HD13 1 1 10 4220 1 1 14 LEU HD21 H -11.954 18.541 4.762 1.00 . A A . 14 LEU HD21 1 1 10 4221 1 1 14 LEU HD22 H -12.901 17.279 5.551 1.00 . A A . 14 LEU HD22 1 1 10 4222 1 1 14 LEU HD23 H -11.189 17.018 5.219 1.00 . A A . 14 LEU HD23 1 1 10 4223 1 1 14 LEU HG H -10.988 17.608 7.395 1.00 . A A . 14 LEU HG 1 1 10 4224 1 1 14 LEU N N -8.833 18.774 7.947 1.00 . A A . 14 LEU N 1 1 10 4225 1 1 14 LEU O O -10.450 19.409 10.029 1.00 . A A . 14 LEU O 1 1 10 4226 1 1 15 GLY C C -10.841 22.252 11.477 1.00 . A A . 15 GLY C 1 1 10 4227 1 1 15 GLY CA C -11.775 21.793 10.375 1.00 . A A . 15 GLY CA 1 1 10 4228 1 1 15 GLY H H -11.031 22.002 8.403 1.00 . A A . 15 GLY H 1 1 10 4229 1 1 15 GLY HA2 H -12.451 22.598 10.131 1.00 . A A . 15 GLY HA2 1 1 10 4230 1 1 15 GLY HA3 H -12.349 20.951 10.733 1.00 . A A . 15 GLY HA3 1 1 10 4231 1 1 15 GLY N N -11.063 21.397 9.173 1.00 . A A . 15 GLY N 1 1 10 4232 1 1 15 GLY O O -11.280 22.828 12.471 1.00 . A A . 15 GLY O 1 1 10 4233 1 1 16 ASN C C -7.163 22.461 11.662 1.00 . A A . 16 ASN C 1 1 10 4234 1 1 16 ASN CA C -8.551 22.383 12.291 1.00 . A A . 16 ASN CA 1 1 10 4235 1 1 16 ASN CB C -8.541 21.388 13.454 1.00 . A A . 16 ASN CB 1 1 10 4236 1 1 16 ASN CG C -7.651 21.842 14.595 1.00 . A A . 16 ASN CG 1 1 10 4237 1 1 16 ASN H H -9.260 21.531 10.487 1.00 . A A . 16 ASN H 1 1 10 4238 1 1 16 ASN HA H -8.819 23.359 12.666 1.00 . A A . 16 ASN HA 1 1 10 4239 1 1 16 ASN HB2 H -9.547 21.275 13.831 1.00 . A A . 16 ASN HB2 1 1 10 4240 1 1 16 ASN HB3 H -8.183 20.433 13.100 1.00 . A A . 16 ASN HB3 1 1 10 4241 1 1 16 ASN HD21 H -9.208 22.673 15.511 1.00 . A A . 16 ASN HD21 1 1 10 4242 1 1 16 ASN HD22 H -7.691 22.817 16.327 1.00 . A A . 16 ASN HD22 1 1 10 4243 1 1 16 ASN N N -9.549 21.994 11.301 1.00 . A A . 16 ASN N 1 1 10 4244 1 1 16 ASN ND2 N -8.243 22.511 15.577 1.00 . A A . 16 ASN ND2 1 1 10 4245 1 1 16 ASN O O -6.151 22.422 12.360 1.00 . A A . 16 ASN O 1 1 10 4246 1 1 16 ASN OD1 O -6.445 21.594 14.593 1.00 . A A . 16 ASN OD1 1 1 10 4247 1 1 17 ASN C C -5.007 23.804 10.143 1.00 . A A . 17 ASN C 1 1 10 4248 1 1 17 ASN CA C -5.862 22.656 9.614 1.00 . A A . 17 ASN CA 1 1 10 4249 1 1 17 ASN CB C -6.119 22.844 8.118 1.00 . A A . 17 ASN CB 1 1 10 4250 1 1 17 ASN CG C -4.898 23.362 7.382 1.00 . A A . 17 ASN CG 1 1 10 4251 1 1 17 ASN H H -7.966 22.598 9.836 1.00 . A A . 17 ASN H 1 1 10 4252 1 1 17 ASN HA H -5.331 21.728 9.765 1.00 . A A . 17 ASN HA 1 1 10 4253 1 1 17 ASN HB2 H -6.400 21.895 7.685 1.00 . A A . 17 ASN HB2 1 1 10 4254 1 1 17 ASN HB3 H -6.925 23.550 7.982 1.00 . A A . 17 ASN HB3 1 1 10 4255 1 1 17 ASN HD21 H -6.042 24.009 5.889 1.00 . A A . 17 ASN HD21 1 1 10 4256 1 1 17 ASN HD22 H -4.346 24.290 5.712 1.00 . A A . 17 ASN HD22 1 1 10 4257 1 1 17 ASN N N -7.125 22.572 10.338 1.00 . A A . 17 ASN N 1 1 10 4258 1 1 17 ASN ND2 N -5.118 23.946 6.209 1.00 . A A . 17 ASN ND2 1 1 10 4259 1 1 17 ASN O O -5.413 24.965 10.100 1.00 . A A . 17 ASN O 1 1 10 4260 1 1 17 ASN OD1 O -3.771 23.239 7.862 1.00 . A A . 17 ASN OD1 1 1 10 4261 1 1 18 GLY C C -2.519 24.207 12.603 1.00 . A A . 18 GLY C 1 1 10 4262 1 1 18 GLY CA C -2.926 24.484 11.170 1.00 . A A . 18 GLY CA 1 1 10 4263 1 1 18 GLY H H -3.549 22.529 10.649 1.00 . A A . 18 GLY H 1 1 10 4264 1 1 18 GLY HA2 H -2.039 24.523 10.556 1.00 . A A . 18 GLY HA2 1 1 10 4265 1 1 18 GLY HA3 H -3.423 25.443 11.128 1.00 . A A . 18 GLY HA3 1 1 10 4266 1 1 18 GLY N N -3.820 23.471 10.641 1.00 . A A . 18 GLY N 1 1 10 4267 1 1 18 GLY O O -1.974 25.078 13.281 1.00 . A A . 18 GLY O 1 1 10 4268 1 1 19 TYR C C -0.937 22.473 14.602 1.00 . A A . 19 TYR C 1 1 10 4269 1 1 19 TYR CA C -2.448 22.603 14.432 1.00 . A A . 19 TYR CA 1 1 10 4270 1 1 19 TYR CB C -3.128 21.281 14.791 1.00 . A A . 19 TYR CB 1 1 10 4271 1 1 19 TYR CD1 C -4.173 22.118 16.932 1.00 . A A . 19 TYR CD1 1 1 10 4272 1 1 19 TYR CD2 C -3.012 20.037 16.986 1.00 . A A . 19 TYR CD2 1 1 10 4273 1 1 19 TYR CE1 C -4.463 21.997 18.278 1.00 . A A . 19 TYR CE1 1 1 10 4274 1 1 19 TYR CE2 C -3.298 19.907 18.331 1.00 . A A . 19 TYR CE2 1 1 10 4275 1 1 19 TYR CG C -3.443 21.143 16.264 1.00 . A A . 19 TYR CG 1 1 10 4276 1 1 19 TYR CZ C -4.023 20.889 18.973 1.00 . A A . 19 TYR CZ 1 1 10 4277 1 1 19 TYR H H -3.222 22.340 12.480 1.00 . A A . 19 TYR H 1 1 10 4278 1 1 19 TYR HA H -2.809 23.374 15.096 1.00 . A A . 19 TYR HA 1 1 10 4279 1 1 19 TYR HB2 H -4.055 21.201 14.246 1.00 . A A . 19 TYR HB2 1 1 10 4280 1 1 19 TYR HB3 H -2.480 20.463 14.513 1.00 . A A . 19 TYR HB3 1 1 10 4281 1 1 19 TYR HD1 H -4.516 22.984 16.385 1.00 . A A . 19 TYR HD1 1 1 10 4282 1 1 19 TYR HD2 H -2.444 19.269 16.481 1.00 . A A . 19 TYR HD2 1 1 10 4283 1 1 19 TYR HE1 H -5.031 22.766 18.780 1.00 . A A . 19 TYR HE1 1 1 10 4284 1 1 19 TYR HE2 H -2.955 19.040 18.876 1.00 . A A . 19 TYR HE2 1 1 10 4285 1 1 19 TYR HH H -4.406 19.835 20.534 1.00 . A A . 19 TYR HH 1 1 10 4286 1 1 19 TYR N N -2.786 22.991 13.068 1.00 . A A . 19 TYR N 1 1 10 4287 1 1 19 TYR O O -0.169 22.773 13.687 1.00 . A A . 19 TYR O 1 1 10 4288 1 1 19 TYR OH O -4.311 20.764 20.312 1.00 . A A . 19 TYR OH 1 1 10 4289 1 1 20 LEU C C 1.454 20.610 15.381 1.00 . A A . 20 LEU C 1 1 10 4290 1 1 20 LEU CA C 0.901 21.852 16.073 1.00 . A A . 20 LEU CA 1 1 10 4291 1 1 20 LEU CB C 1.122 21.750 17.583 1.00 . A A . 20 LEU CB 1 1 10 4292 1 1 20 LEU CD1 C 3.395 22.751 17.243 1.00 . A A . 20 LEU CD1 1 1 10 4293 1 1 20 LEU CD2 C 2.660 22.073 19.536 1.00 . A A . 20 LEU CD2 1 1 10 4294 1 1 20 LEU CG C 2.577 21.754 18.050 1.00 . A A . 20 LEU CG 1 1 10 4295 1 1 20 LEU H H -1.177 21.801 16.469 1.00 . A A . 20 LEU H 1 1 10 4296 1 1 20 LEU HA H 1.423 22.720 15.699 1.00 . A A . 20 LEU HA 1 1 10 4297 1 1 20 LEU HB2 H 0.623 22.587 18.047 1.00 . A A . 20 LEU HB2 1 1 10 4298 1 1 20 LEU HB3 H 0.667 20.830 17.921 1.00 . A A . 20 LEU HB3 1 1 10 4299 1 1 20 LEU HD11 H 2.783 23.607 17.003 1.00 . A A . 20 LEU HD11 1 1 10 4300 1 1 20 LEU HD12 H 3.733 22.283 16.330 1.00 . A A . 20 LEU HD12 1 1 10 4301 1 1 20 LEU HD13 H 4.249 23.068 17.822 1.00 . A A . 20 LEU HD13 1 1 10 4302 1 1 20 LEU HD21 H 3.548 22.656 19.730 1.00 . A A . 20 LEU HD21 1 1 10 4303 1 1 20 LEU HD22 H 2.702 21.153 20.100 1.00 . A A . 20 LEU HD22 1 1 10 4304 1 1 20 LEU HD23 H 1.787 22.637 19.832 1.00 . A A . 20 LEU HD23 1 1 10 4305 1 1 20 LEU HG H 3.002 20.772 17.895 1.00 . A A . 20 LEU HG 1 1 10 4306 1 1 20 LEU N N -0.518 22.023 15.780 1.00 . A A . 20 LEU N 1 1 10 4307 1 1 20 LEU O O 2.131 19.790 16.003 1.00 . A A . 20 LEU O 1 1 10 4308 1 1 21 CYS C C 2.982 19.636 12.670 1.00 . A A . 21 CYS C 1 1 10 4309 1 1 21 CYS CA C 1.631 19.337 13.314 1.00 . A A . 21 CYS CA 1 1 10 4310 1 1 21 CYS CB C 0.609 18.974 12.236 1.00 . A A . 21 CYS CB 1 1 10 4311 1 1 21 CYS H H 0.618 21.165 13.651 1.00 . A A . 21 CYS H 1 1 10 4312 1 1 21 CYS HA H 1.744 18.501 13.987 1.00 . A A . 21 CYS HA 1 1 10 4313 1 1 21 CYS HB2 H -0.227 19.655 12.299 1.00 . A A . 21 CYS HB2 1 1 10 4314 1 1 21 CYS HB3 H 1.072 19.070 11.265 1.00 . A A . 21 CYS HB3 1 1 10 4315 1 1 21 CYS N N 1.162 20.478 14.092 1.00 . A A . 21 CYS N 1 1 10 4316 1 1 21 CYS O O 3.658 20.596 13.042 1.00 . A A . 21 CYS O 1 1 10 4317 1 1 21 CYS SG S -0.048 17.280 12.374 1.00 . A A . 21 CYS SG 1 1 10 4318 1 1 22 . C C 5.774 19.104 12.008 1.00 . A A . 22 DBB C 1 1 10 4319 1 1 22 . CA C 4.632 18.975 11.018 1.00 . A A . 22 DBB CA 1 1 10 4320 1 1 22 . CB C 4.901 17.786 10.072 1.00 . A A . 22 DBB CB 1 1 10 4321 1 1 22 . CG C 3.653 17.544 9.223 1.00 . A A . 22 DBB CG 1 1 10 4322 1 1 22 . H H 2.775 18.060 11.459 1.00 . A A . 22 DBB H 1 1 10 4323 1 1 22 . HA H 4.579 19.876 10.425 1.00 . A A . 22 DBB HA 1 1 10 4324 1 1 22 . HB3 H 5.055 16.914 10.696 1.00 . A A . 22 DBB HB3 1 1 10 4325 1 1 22 . HG1 H 3.282 16.549 9.407 1.00 . A A . 22 DBB HG1 1 1 10 4326 1 1 22 . HG2 H 3.901 17.652 8.178 1.00 . A A . 22 DBB HG2 1 1 10 4327 1 1 22 . HG3 H 2.896 18.266 9.493 1.00 . A A . 22 DBB HG3 1 1 10 4328 1 1 22 . N N 3.365 18.812 11.710 1.00 . A A . 22 DBB N 1 1 10 4329 1 1 22 . O O 6.706 19.880 11.796 1.00 . A A . 22 DBB O 1 1 10 4330 1 1 23 VAL C C 7.224 17.004 14.475 1.00 . A A . 23 VAL C 1 1 10 4331 1 1 23 VAL CA C 6.716 18.402 14.140 1.00 . A A . 23 VAL CA 1 1 10 4332 1 1 23 VAL CB C 6.184 19.064 15.425 1.00 . A A . 23 VAL CB 1 1 10 4333 1 1 23 VAL CG1 C 7.333 19.441 16.347 1.00 . A A . 23 VAL CG1 1 1 10 4334 1 1 23 VAL CG2 C 5.341 20.284 15.084 1.00 . A A . 23 VAL CG2 1 1 10 4335 1 1 23 VAL H H 4.925 17.755 13.215 1.00 . A A . 23 VAL H 1 1 10 4336 1 1 23 VAL HA H 7.540 18.994 13.769 1.00 . A A . 23 VAL HA 1 1 10 4337 1 1 23 VAL HB H 5.556 18.352 15.940 1.00 . A A . 23 VAL HB 1 1 10 4338 1 1 23 VAL HG11 H 6.999 20.192 17.049 1.00 . A A . 23 VAL HG11 1 1 10 4339 1 1 23 VAL HG12 H 7.664 18.565 16.886 1.00 . A A . 23 VAL HG12 1 1 10 4340 1 1 23 VAL HG13 H 8.150 19.835 15.761 1.00 . A A . 23 VAL HG13 1 1 10 4341 1 1 23 VAL HG21 H 5.606 20.643 14.101 1.00 . A A . 23 VAL HG21 1 1 10 4342 1 1 23 VAL HG22 H 4.295 20.014 15.100 1.00 . A A . 23 VAL HG22 1 1 10 4343 1 1 23 VAL HG23 H 5.522 21.062 15.812 1.00 . A A . 23 VAL HG23 1 1 10 4344 1 1 23 VAL N N 5.692 18.355 13.103 1.00 . A A . 23 VAL N 1 1 10 4345 1 1 23 VAL O O 6.462 16.036 14.451 1.00 . A A . 23 VAL O 1 1 10 4346 1 1 24 . C C 9.391 14.822 13.865 1.00 . A A . 24 DBB C 1 1 10 4347 1 1 24 . CA C 9.121 15.634 15.119 1.00 . A A . 24 DBB CA 1 1 10 4348 1 1 24 . CB C 10.440 15.845 15.891 1.00 . A A . 24 DBB CB 1 1 10 4349 1 1 24 . CG C 10.356 17.168 16.651 1.00 . A A . 24 DBB CG 1 1 10 4350 1 1 24 . H H 9.061 17.724 14.787 1.00 . A A . 24 DBB H 1 1 10 4351 1 1 24 . HA H 8.440 15.085 15.752 1.00 . A A . 24 DBB HA 1 1 10 4352 1 1 24 . HB3 H 11.229 15.933 15.152 1.00 . A A . 24 DBB HB3 1 1 10 4353 1 1 24 . HG1 H 9.355 17.301 17.028 1.00 . A A . 24 DBB HG1 1 1 10 4354 1 1 24 . HG2 H 10.607 17.981 15.988 1.00 . A A . 24 DBB HG2 1 1 10 4355 1 1 24 . HG3 H 11.052 17.145 17.478 1.00 . A A . 24 DBB HG3 1 1 10 4356 1 1 24 . N N 8.505 16.907 14.786 1.00 . A A . 24 DBB N 1 1 10 4357 1 1 24 . O O 9.067 15.249 12.757 1.00 . A A . 24 DBB O 1 1 10 4358 1 1 25 LYS C C 9.423 13.069 11.725 1.00 . A A . 25 LYS C 1 1 10 4359 1 1 25 LYS CA C 10.337 12.791 12.914 1.00 . A A . 25 LYS CA 1 1 10 4360 1 1 25 LYS CB C 10.226 11.321 13.324 1.00 . A A . 25 LYS CB 1 1 10 4361 1 1 25 LYS CD C 11.609 9.530 14.415 1.00 . A A . 25 LYS CD 1 1 10 4362 1 1 25 LYS CE C 12.399 8.309 13.969 1.00 . A A . 25 LYS CE 1 1 10 4363 1 1 25 LYS CG C 11.556 10.587 13.325 1.00 . A A . 25 LYS CG 1 1 10 4364 1 1 25 LYS H H 10.237 13.370 14.948 1.00 . A A . 25 LYS H 1 1 10 4365 1 1 25 LYS HA H 11.356 12.999 12.626 1.00 . A A . 25 LYS HA 1 1 10 4366 1 1 25 LYS HB2 H 9.808 11.267 14.318 1.00 . A A . 25 LYS HB2 1 1 10 4367 1 1 25 LYS HB3 H 9.562 10.817 12.636 1.00 . A A . 25 LYS HB3 1 1 10 4368 1 1 25 LYS HD2 H 12.081 9.950 15.290 1.00 . A A . 25 LYS HD2 1 1 10 4369 1 1 25 LYS HD3 H 10.600 9.226 14.658 1.00 . A A . 25 LYS HD3 1 1 10 4370 1 1 25 LYS HE2 H 13.447 8.564 13.944 1.00 . A A . 25 LYS HE2 1 1 10 4371 1 1 25 LYS HE3 H 12.239 7.513 14.682 1.00 . A A . 25 LYS HE3 1 1 10 4372 1 1 25 LYS HG2 H 11.694 10.109 12.367 1.00 . A A . 25 LYS HG2 1 1 10 4373 1 1 25 LYS HG3 H 12.350 11.302 13.491 1.00 . A A . 25 LYS HG3 1 1 10 4374 1 1 25 LYS HZ1 H 12.267 6.851 12.479 1.00 . A A . 25 LYS HZ1 1 1 10 4375 1 1 25 LYS HZ2 H 12.429 8.426 11.884 1.00 . A A . 25 LYS HZ2 1 1 10 4376 1 1 25 LYS HZ3 H 10.949 7.911 12.519 1.00 . A A . 25 LYS HZ3 1 1 10 4377 1 1 25 LYS N N 10.004 13.656 14.039 1.00 . A A . 25 LYS N 1 1 10 4378 1 1 25 LYS NZ N 11.982 7.841 12.618 1.00 . A A . 25 LYS NZ 1 1 10 4379 1 1 25 LYS O O 9.848 12.990 10.573 1.00 . A A . 25 LYS O 1 1 10 4380 1 1 26 GLU C C 7.754 14.693 9.967 1.00 . A A . 26 GLU C 1 1 10 4381 1 1 26 GLU CA C 7.194 13.684 10.966 1.00 . A A . 26 GLU CA 1 1 10 4382 1 1 26 GLU CB C 5.898 14.221 11.578 1.00 . A A . 26 GLU CB 1 1 10 4383 1 1 26 GLU CD C 4.126 13.877 13.345 1.00 . A A . 26 GLU CD 1 1 10 4384 1 1 26 GLU CG C 5.555 13.598 12.921 1.00 . A A . 26 GLU CG 1 1 10 4385 1 1 26 GLU H H 7.888 13.440 12.951 1.00 . A A . 26 GLU H 1 1 10 4386 1 1 26 GLU HA H 6.981 12.762 10.447 1.00 . A A . 26 GLU HA 1 1 10 4387 1 1 26 GLU HB2 H 5.993 15.288 11.712 1.00 . A A . 26 GLU HB2 1 1 10 4388 1 1 26 GLU HB3 H 5.085 14.025 10.895 1.00 . A A . 26 GLU HB3 1 1 10 4389 1 1 26 GLU HG2 H 5.692 12.530 12.853 1.00 . A A . 26 GLU HG2 1 1 10 4390 1 1 26 GLU HG3 H 6.222 13.999 13.670 1.00 . A A . 26 GLU HG3 1 1 10 4391 1 1 26 GLU N N 8.167 13.394 12.013 1.00 . A A . 26 GLU N 1 1 10 4392 1 1 26 GLU O O 7.684 14.488 8.755 1.00 . A A . 26 GLU O 1 1 10 4393 1 1 26 GLU OE1 O 3.208 13.231 12.798 1.00 . A A . 26 GLU OE1 1 1 10 4394 1 1 26 GLU OE2 O 3.927 14.741 14.224 1.00 . A A . 26 GLU OE2 1 1 10 4395 1 1 27 CYS C C 10.332 17.101 10.025 1.00 . A A . 27 CYS C 1 1 10 4396 1 1 27 CYS CA C 8.881 16.825 9.641 1.00 . A A . 27 CYS CA 1 1 10 4397 1 1 27 CYS CB C 8.059 18.111 9.754 1.00 . A A . 27 CYS CB 1 1 10 4398 1 1 27 CYS H H 8.336 15.890 11.460 1.00 . A A . 27 CYS H 1 1 10 4399 1 1 27 CYS HA H 8.852 16.478 8.619 1.00 . A A . 27 CYS HA 1 1 10 4400 1 1 27 CYS HB2 H 7.958 18.373 10.797 1.00 . A A . 27 CYS HB2 1 1 10 4401 1 1 27 CYS HB3 H 8.575 18.906 9.236 1.00 . A A . 27 CYS HB3 1 1 10 4402 1 1 27 CYS N N 8.310 15.783 10.485 1.00 . A A . 27 CYS N 1 1 10 4403 1 1 27 CYS O O 11.070 17.747 9.280 1.00 . A A . 27 CYS O 1 1 10 4404 1 1 27 CYS SG S 6.383 17.986 9.051 1.00 . A A . 27 CYS SG 1 1 10 4405 1 1 28 MET C C 12.728 15.467 12.066 1.00 . A A . 28 MET C 1 1 10 4406 1 1 28 MET CA C 12.097 16.799 11.673 1.00 . A A . 28 MET CA 1 1 10 4407 1 1 28 MET CB C 12.109 17.754 12.868 1.00 . A A . 28 MET CB 1 1 10 4408 1 1 28 MET CE C 11.834 21.383 13.205 1.00 . A A . 28 MET CE 1 1 10 4409 1 1 28 MET CG C 10.979 18.771 12.844 1.00 . A A . 28 MET CG 1 1 10 4410 1 1 28 MET H H 10.100 16.101 11.741 1.00 . A A . 28 MET H 1 1 10 4411 1 1 28 MET HA H 12.674 17.234 10.870 1.00 . A A . 28 MET HA 1 1 10 4412 1 1 28 MET HB2 H 12.025 17.177 13.776 1.00 . A A . 28 MET HB2 1 1 10 4413 1 1 28 MET HB3 H 13.046 18.290 12.876 1.00 . A A . 28 MET HB3 1 1 10 4414 1 1 28 MET HE1 H 11.519 21.312 12.174 1.00 . A A . 28 MET HE1 1 1 10 4415 1 1 28 MET HE2 H 11.489 22.316 13.624 1.00 . A A . 28 MET HE2 1 1 10 4416 1 1 28 MET HE3 H 12.912 21.341 13.257 1.00 . A A . 28 MET HE3 1 1 10 4417 1 1 28 MET HG2 H 10.978 19.267 11.884 1.00 . A A . 28 MET HG2 1 1 10 4418 1 1 28 MET HG3 H 10.043 18.251 12.978 1.00 . A A . 28 MET HG3 1 1 10 4419 1 1 28 MET N N 10.734 16.607 11.191 1.00 . A A . 28 MET N 1 1 10 4420 1 1 28 MET O O 12.307 14.811 13.019 1.00 . A A . 28 MET O 1 1 10 4421 1 1 28 MET SD S 11.140 20.019 14.136 1.00 . A A . 28 MET SD 1 1 10 4422 1 1 29 PRO C C 15.294 13.844 12.849 1.00 . A A . 29 PRO C 1 1 10 4423 1 1 29 PRO CA C 14.470 13.798 11.567 1.00 . A A . 29 PRO CA 1 1 10 4424 1 1 29 PRO CB C 15.385 13.657 10.348 1.00 . A A . 29 PRO CB 1 1 10 4425 1 1 29 PRO CD C 14.314 15.786 10.163 1.00 . A A . 29 PRO CD 1 1 10 4426 1 1 29 PRO CG C 15.592 15.052 9.866 1.00 . A A . 29 PRO CG 1 1 10 4427 1 1 29 PRO HA H 13.790 12.959 11.607 1.00 . A A . 29 PRO HA 1 1 10 4428 1 1 29 PRO HB2 H 16.318 13.198 10.645 1.00 . A A . 29 PRO HB2 1 1 10 4429 1 1 29 PRO HB3 H 14.902 13.049 9.598 1.00 . A A . 29 PRO HB3 1 1 10 4430 1 1 29 PRO HD2 H 14.521 16.814 10.421 1.00 . A A . 29 PRO HD2 1 1 10 4431 1 1 29 PRO HD3 H 13.645 15.735 9.317 1.00 . A A . 29 PRO HD3 1 1 10 4432 1 1 29 PRO HG2 H 16.417 15.504 10.396 1.00 . A A . 29 PRO HG2 1 1 10 4433 1 1 29 PRO HG3 H 15.784 15.048 8.804 1.00 . A A . 29 PRO HG3 1 1 10 4434 1 1 29 PRO N N 13.760 15.055 11.315 1.00 . A A . 29 PRO N 1 1 10 4435 1 1 29 PRO O O 15.755 12.813 13.339 1.00 . A A . 29 PRO O 1 1 10 4436 1 1 30 SER C C 15.416 14.858 15.837 1.00 . A A . 30 SER C 1 1 10 4437 1 1 30 SER CA C 16.247 15.226 14.611 1.00 . A A . 30 SER CA 1 1 10 4438 1 1 30 SER CB C 16.732 16.673 14.725 1.00 . A A . 30 SER CB 1 1 10 4439 1 1 30 SER H H 15.083 15.830 12.949 1.00 . A A . 30 SER H 1 1 10 4440 1 1 30 SER HA H 17.105 14.571 14.562 1.00 . A A . 30 SER HA 1 1 10 4441 1 1 30 SER HB2 H 16.911 17.068 13.738 1.00 . A A . 30 SER HB2 1 1 10 4442 1 1 30 SER HB3 H 15.974 17.265 15.218 1.00 . A A . 30 SER HB3 1 1 10 4443 1 1 30 SER HG H 17.770 16.451 16.372 1.00 . A A . 30 SER HG 1 1 10 4444 1 1 30 SER N N 15.476 15.045 13.387 1.00 . A A . 30 SER N 1 1 10 4445 1 1 30 SER O O 15.634 15.382 16.929 1.00 . A A . 30 SER O 1 1 10 4446 1 1 30 SER OG O 17.932 16.751 15.474 1.00 . A A . 30 SER OG 1 1 10 4447 1 1 31 CYS C C 14.119 12.219 17.355 1.00 . A A . 31 CYS C 1 1 10 4448 1 1 31 CYS CA C 13.597 13.512 16.734 1.00 . A A . 31 CYS CA 1 1 10 4449 1 1 31 CYS CB C 12.169 13.307 16.226 1.00 . A A . 31 CYS CB 1 1 10 4450 1 1 31 CYS H H 14.338 13.569 14.752 1.00 . A A . 31 CYS H 1 1 10 4451 1 1 31 CYS HA H 13.595 14.284 17.489 1.00 . A A . 31 CYS HA 1 1 10 4452 1 1 31 CYS HB2 H 12.147 13.475 15.159 1.00 . A A . 31 CYS HB2 1 1 10 4453 1 1 31 CYS HB3 H 11.864 12.292 16.432 1.00 . A A . 31 CYS HB3 1 1 10 4454 1 1 31 CYS N N 14.463 13.952 15.647 1.00 . A A . 31 CYS N 1 1 10 4455 1 1 31 CYS O O 13.646 11.130 17.034 1.00 . A A . 31 CYS O 1 1 10 4456 1 1 31 CYS SG S 10.943 14.420 16.986 1.00 . A A . 31 CYS SG 1 1 10 4457 1 1 32 ASN C C 14.906 10.843 20.180 1.00 . A A . 32 ASN C 1 1 10 4458 1 1 32 ASN CA C 15.681 11.192 18.913 1.00 . A A . 32 ASN CA 1 1 10 4459 1 1 32 ASN CB C 17.147 11.463 19.257 1.00 . A A . 32 ASN CB 1 1 10 4460 1 1 32 ASN CG C 17.983 11.764 18.029 1.00 . A A . 32 ASN CG 1 1 10 4461 1 1 32 ASN H H 15.431 13.245 18.462 1.00 . A A . 32 ASN H 1 1 10 4462 1 1 32 ASN HA H 15.630 10.356 18.232 1.00 . A A . 32 ASN HA 1 1 10 4463 1 1 32 ASN HB2 H 17.203 12.312 19.924 1.00 . A A . 32 ASN HB2 1 1 10 4464 1 1 32 ASN HB3 H 17.562 10.596 19.749 1.00 . A A . 32 ASN HB3 1 1 10 4465 1 1 32 ASN HD21 H 17.411 13.668 18.076 1.00 . A A . 32 ASN HD21 1 1 10 4466 1 1 32 ASN HD22 H 18.490 13.240 16.796 1.00 . A A . 32 ASN HD22 1 1 10 4467 1 1 32 ASN N N 15.095 12.349 18.247 1.00 . A A . 32 ASN N 1 1 10 4468 1 1 32 ASN ND2 N 17.959 13.017 17.589 1.00 . A A . 32 ASN ND2 1 1 10 4469 1 1 32 ASN O O 15.483 10.387 21.167 1.00 . A A . 32 ASN O 1 1 10 4470 1 1 32 ASN OD1 O 18.643 10.881 17.481 1.00 . A A . 32 ASN OD1 1 1 11 4471 1 1 1 2KT C1 C 3.998 12.504 17.939 1.00 . A A . 1 2KT C1 1 1 11 4472 1 1 1 2KT C2 C 4.866 13.356 18.501 1.00 . A A . 1 2KT C2 1 1 11 4473 1 1 1 2KT C3 C 5.970 13.613 17.923 1.00 . A A . 1 2KT C3 1 1 11 4474 1 1 1 2KT C4 C 6.993 13.038 18.457 1.00 . A A . 1 2KT C4 1 1 11 4475 1 1 1 2KT H31 H 6.340 14.542 17.941 1.00 . A A . 1 2KT H31 1 1 11 4476 1 1 1 2KT H32 H 6.068 13.459 16.939 1.00 . A A . 1 2KT H32 1 1 11 4477 1 1 1 2KT H41 H 7.049 12.040 18.482 1.00 . A A . 1 2KT H41 1 1 11 4478 1 1 1 2KT H42 H 7.909 13.205 18.092 1.00 . A A . 1 2KT H42 1 1 11 4479 1 1 1 2KT H43 H 7.211 13.199 19.420 1.00 . A A . 1 2KT H43 1 1 11 4480 1 1 1 2KT O1 O 4.323 11.963 16.882 1.00 . A A . 1 2KT O1 1 1 11 4481 1 1 1 2KT O3 O 4.569 13.876 19.579 1.00 . A A . 1 2KT O3 1 1 11 4482 1 1 2 ILE C C 1.501 11.749 16.540 1.00 . A A . 2 ILE C 1 1 11 4483 1 1 2 ILE CA C 1.848 11.367 17.975 1.00 . A A . 2 ILE CA 1 1 11 4484 1 1 2 ILE CB C 0.558 11.343 18.815 1.00 . A A . 2 ILE CB 1 1 11 4485 1 1 2 ILE CD1 C 0.429 13.874 19.045 1.00 . A A . 2 ILE CD1 1 1 11 4486 1 1 2 ILE CG1 C -0.259 12.613 18.571 1.00 . A A . 2 ILE CG1 1 1 11 4487 1 1 2 ILE CG2 C 0.890 11.196 20.293 1.00 . A A . 2 ILE CG2 1 1 11 4488 1 1 2 ILE H H 2.633 12.742 19.379 1.00 . A A . 2 ILE H 1 1 11 4489 1 1 2 ILE HA H 2.275 10.374 17.979 1.00 . A A . 2 ILE HA 1 1 11 4490 1 1 2 ILE HB H -0.025 10.486 18.515 1.00 . A A . 2 ILE HB 1 1 11 4491 1 1 2 ILE HD11 H 1.060 14.258 18.257 1.00 . A A . 2 ILE HD11 1 1 11 4492 1 1 2 ILE HD12 H -0.314 14.615 19.303 1.00 . A A . 2 ILE HD12 1 1 11 4493 1 1 2 ILE HD13 H 1.032 13.652 19.912 1.00 . A A . 2 ILE HD13 1 1 11 4494 1 1 2 ILE HG12 H -0.446 12.716 17.514 1.00 . A A . 2 ILE HG12 1 1 11 4495 1 1 2 ILE HG13 H -1.202 12.532 19.093 1.00 . A A . 2 ILE HG13 1 1 11 4496 1 1 2 ILE HG21 H 1.959 11.269 20.430 1.00 . A A . 2 ILE HG21 1 1 11 4497 1 1 2 ILE HG22 H 0.402 11.981 20.851 1.00 . A A . 2 ILE HG22 1 1 11 4498 1 1 2 ILE HG23 H 0.546 10.236 20.646 1.00 . A A . 2 ILE HG23 1 1 11 4499 1 1 2 ILE N N 2.834 12.281 18.539 1.00 . A A . 2 ILE N 1 1 11 4500 1 1 2 ILE O O 1.652 12.905 16.144 1.00 . A A . 2 ILE O 1 1 11 4501 1 1 3 . C C 1.578 10.214 13.456 1.00 . A A . 3 DBB C 1 1 11 4502 1 1 3 . CA C 0.672 11.002 14.385 1.00 . A A . 3 DBB CA 1 1 11 4503 1 1 3 . CB C -0.797 10.607 14.130 1.00 . A A . 3 DBB CB 1 1 11 4504 1 1 3 . CG C -1.677 11.290 15.178 1.00 . A A . 3 DBB CG 1 1 11 4505 1 1 3 . H H 0.940 9.871 16.154 1.00 . A A . 3 DBB H 1 1 11 4506 1 1 3 . HA H 0.784 12.054 14.173 1.00 . A A . 3 DBB HA 1 1 11 4507 1 1 3 . HB3 H -0.868 9.536 14.280 1.00 . A A . 3 DBB HB3 1 1 11 4508 1 1 3 . HG1 H -1.400 10.940 16.160 1.00 . A A . 3 DBB HG1 1 1 11 4509 1 1 3 . HG2 H -2.712 11.055 14.987 1.00 . A A . 3 DBB HG2 1 1 11 4510 1 1 3 . HG3 H -1.529 12.359 15.121 1.00 . A A . 3 DBB HG3 1 1 11 4511 1 1 3 . N N 1.036 10.777 15.774 1.00 . A A . 3 DBB N 1 1 11 4512 1 1 3 . O O 1.240 9.985 12.294 1.00 . A A . 3 DBB O 1 1 11 4513 1 1 4 LEU C C 3.003 8.211 12.120 1.00 . A A . 4 LEU C 1 1 11 4514 1 1 4 LEU CA C 3.706 9.068 13.167 1.00 . A A . 4 LEU CA 1 1 11 4515 1 1 4 LEU CB C 4.567 8.185 14.071 1.00 . A A . 4 LEU CB 1 1 11 4516 1 1 4 LEU CD1 C 5.426 9.896 15.689 1.00 . A A . 4 LEU CD1 1 1 11 4517 1 1 4 LEU CD2 C 6.725 7.797 15.288 1.00 . A A . 4 LEU CD2 1 1 11 4518 1 1 4 LEU CG C 5.814 8.844 14.663 1.00 . A A . 4 LEU CG 1 1 11 4519 1 1 4 LEU H H 2.952 10.028 14.896 1.00 . A A . 4 LEU H 1 1 11 4520 1 1 4 LEU HA H 4.341 9.782 12.663 1.00 . A A . 4 LEU HA 1 1 11 4521 1 1 4 LEU HB2 H 3.950 7.850 14.891 1.00 . A A . 4 LEU HB2 1 1 11 4522 1 1 4 LEU HB3 H 4.887 7.331 13.491 1.00 . A A . 4 LEU HB3 1 1 11 4523 1 1 4 LEU HD11 H 4.645 9.508 16.325 1.00 . A A . 4 LEU HD11 1 1 11 4524 1 1 4 LEU HD12 H 5.070 10.781 15.181 1.00 . A A . 4 LEU HD12 1 1 11 4525 1 1 4 LEU HD13 H 6.287 10.149 16.289 1.00 . A A . 4 LEU HD13 1 1 11 4526 1 1 4 LEU HD21 H 7.026 7.085 14.534 1.00 . A A . 4 LEU HD21 1 1 11 4527 1 1 4 LEU HD22 H 6.194 7.284 16.076 1.00 . A A . 4 LEU HD22 1 1 11 4528 1 1 4 LEU HD23 H 7.600 8.280 15.698 1.00 . A A . 4 LEU HD23 1 1 11 4529 1 1 4 LEU HG H 6.363 9.336 13.872 1.00 . A A . 4 LEU HG 1 1 11 4530 1 1 4 LEU N N 2.739 9.815 13.964 1.00 . A A . 4 LEU N 1 1 11 4531 1 1 4 LEU O O 2.075 7.467 12.453 1.00 . A A . 4 LEU O 1 1 11 4532 1 1 5 DHA C C 2.301 8.260 8.754 1.00 . A A . 5 DHA C 1 1 11 4533 1 1 5 DHA CA C 2.896 7.597 9.850 1.00 . A A . 5 DHA CA 1 1 11 4534 1 1 5 DHA CB C 2.947 6.260 9.874 1.00 . A A . 5 DHA CB 1 1 11 4535 1 1 5 DHA H H 4.190 8.946 10.735 1.00 . A A . 5 DHA H 1 1 11 4536 1 1 5 DHA HB1 H 3.411 5.750 10.707 1.00 . A A . 5 DHA HB1 1 1 11 4537 1 1 5 DHA HB2 H 2.556 5.691 9.050 1.00 . A A . 5 DHA HB2 1 1 11 4538 1 1 5 DHA N N 3.451 8.323 10.871 1.00 . A A . 5 DHA N 1 1 11 4539 1 1 5 DHA O O 2.989 8.732 7.843 1.00 . A A . 5 DHA O 1 1 11 4540 1 1 6 DBU C C -0.385 10.388 8.179 1.00 . A A . 6 DBU C 1 1 11 4541 1 1 6 DBU CA C 0.332 9.093 7.841 1.00 . A A . 6 DBU CA 1 1 11 4542 1 1 6 DBU CB C 0.324 8.628 6.581 1.00 . A A . 6 DBU CB 1 1 11 4543 1 1 6 DBU CG C 1.042 7.347 6.273 1.00 . A A . 6 DBU CG 1 1 11 4544 1 1 6 DBU H1 H 0.532 7.995 9.591 1.00 . A A . 6 DBU H1 1 1 11 4545 1 1 6 DBU HB1 H -0.200 9.170 5.806 1.00 . A A . 6 DBU HB1 1 1 11 4546 1 1 6 DBU HG1 H 1.048 6.718 7.149 1.00 . A A . 6 DBU HG1 1 1 11 4547 1 1 6 DBU HG2 H 2.059 7.562 5.988 1.00 . A A . 6 DBU HG2 1 1 11 4548 1 1 6 DBU HG3 H 0.534 6.843 5.463 1.00 . A A . 6 DBU HG3 1 1 11 4549 1 1 6 DBU N N 0.984 8.412 8.825 1.00 . A A . 6 DBU N 1 1 11 4550 1 1 6 DBU O O -1.097 10.960 7.353 1.00 . A A . 6 DBU O 1 1 11 4551 1 1 7 CYS C C -0.375 13.269 9.126 1.00 . A A . 7 CYS C 1 1 11 4552 1 1 7 CYS CA C -0.872 12.047 9.893 1.00 . A A . 7 CYS CA 1 1 11 4553 1 1 7 CYS CB C -0.624 12.235 11.391 1.00 . A A . 7 CYS CB 1 1 11 4554 1 1 7 CYS H H 0.365 10.335 10.032 1.00 . A A . 7 CYS H 1 1 11 4555 1 1 7 CYS HA H -1.933 11.938 9.723 1.00 . A A . 7 CYS HA 1 1 11 4556 1 1 7 CYS HB2 H 0.440 12.223 11.576 1.00 . A A . 7 CYS HB2 1 1 11 4557 1 1 7 CYS HB3 H -1.027 13.189 11.698 1.00 . A A . 7 CYS HB3 1 1 11 4558 1 1 7 CYS N N -0.216 10.834 9.419 1.00 . A A . 7 CYS N 1 1 11 4559 1 1 7 CYS O O -1.151 13.960 8.468 1.00 . A A . 7 CYS O 1 1 11 4560 1 1 7 CYS SG S -1.381 10.950 12.437 1.00 . A A . 7 CYS SG 1 1 11 4561 1 1 8 ALA C C 1.386 14.532 7.019 1.00 . A A . 8 ALA C 1 1 11 4562 1 1 8 ALA CA C 1.527 14.666 8.532 1.00 . A A . 8 ALA CA 1 1 11 4563 1 1 8 ALA CB C 2.993 14.799 8.917 1.00 . A A . 8 ALA CB 1 1 11 4564 1 1 8 ALA H H 1.493 12.942 9.758 1.00 . A A . 8 ALA H 1 1 11 4565 1 1 8 ALA HA H 1.013 15.560 8.854 1.00 . A A . 8 ALA HA 1 1 11 4566 1 1 8 ALA HB1 H 3.250 15.846 8.997 1.00 . A A . 8 ALA HB1 1 1 11 4567 1 1 8 ALA HB2 H 3.161 14.313 9.867 1.00 . A A . 8 ALA HB2 1 1 11 4568 1 1 8 ALA HB3 H 3.607 14.334 8.161 1.00 . A A . 8 ALA HB3 1 1 11 4569 1 1 8 ALA N N 0.925 13.529 9.218 1.00 . A A . 8 ALA N 1 1 11 4570 1 1 8 ALA O O 1.709 15.456 6.272 1.00 . A A . 8 ALA O 1 1 11 4571 1 1 9 ILE C C -0.715 13.412 4.722 1.00 . A A . 9 ILE C 1 1 11 4572 1 1 9 ILE CA C 0.719 13.123 5.151 1.00 . A A . 9 ILE CA 1 1 11 4573 1 1 9 ILE CB C 1.068 11.668 4.789 1.00 . A A . 9 ILE CB 1 1 11 4574 1 1 9 ILE CD1 C 3.049 10.079 4.615 1.00 . A A . 9 ILE CD1 1 1 11 4575 1 1 9 ILE CG1 C 2.485 11.329 5.255 1.00 . A A . 9 ILE CG1 1 1 11 4576 1 1 9 ILE CG2 C 0.930 11.447 3.290 1.00 . A A . 9 ILE CG2 1 1 11 4577 1 1 9 ILE H H 0.664 12.679 7.220 1.00 . A A . 9 ILE H 1 1 11 4578 1 1 9 ILE HA H 1.385 13.778 4.608 1.00 . A A . 9 ILE HA 1 1 11 4579 1 1 9 ILE HB H 0.367 11.018 5.290 1.00 . A A . 9 ILE HB 1 1 11 4580 1 1 9 ILE HD11 H 2.264 9.345 4.507 1.00 . A A . 9 ILE HD11 1 1 11 4581 1 1 9 ILE HD12 H 3.450 10.322 3.642 1.00 . A A . 9 ILE HD12 1 1 11 4582 1 1 9 ILE HD13 H 3.833 9.678 5.239 1.00 . A A . 9 ILE HD13 1 1 11 4583 1 1 9 ILE HG12 H 3.142 12.149 5.014 1.00 . A A . 9 ILE HG12 1 1 11 4584 1 1 9 ILE HG13 H 2.478 11.180 6.325 1.00 . A A . 9 ILE HG13 1 1 11 4585 1 1 9 ILE HG21 H -0.066 11.721 2.976 1.00 . A A . 9 ILE HG21 1 1 11 4586 1 1 9 ILE HG22 H 1.651 12.059 2.769 1.00 . A A . 9 ILE HG22 1 1 11 4587 1 1 9 ILE HG23 H 1.107 10.407 3.061 1.00 . A A . 9 ILE HG23 1 1 11 4588 1 1 9 ILE N N 0.903 13.377 6.575 1.00 . A A . 9 ILE N 1 1 11 4589 1 1 9 ILE O O -0.951 14.056 3.699 1.00 . A A . 9 ILE O 1 1 11 4590 1 1 10 LEU C C -3.627 14.351 5.971 1.00 . A A . 10 LEU C 1 1 11 4591 1 1 10 LEU CA C -3.084 13.142 5.215 1.00 . A A . 10 LEU CA 1 1 11 4592 1 1 10 LEU CB C -3.891 11.895 5.578 1.00 . A A . 10 LEU CB 1 1 11 4593 1 1 10 LEU CD1 C -5.928 12.935 4.553 1.00 . A A . 10 LEU CD1 1 1 11 4594 1 1 10 LEU CD2 C -4.786 11.031 3.402 1.00 . A A . 10 LEU CD2 1 1 11 4595 1 1 10 LEU CG C -5.149 11.643 4.747 1.00 . A A . 10 LEU CG 1 1 11 4596 1 1 10 LEU H H -1.421 12.428 6.313 1.00 . A A . 10 LEU H 1 1 11 4597 1 1 10 LEU HA H -3.176 13.325 4.155 1.00 . A A . 10 LEU HA 1 1 11 4598 1 1 10 LEU HB2 H -3.244 11.038 5.466 1.00 . A A . 10 LEU HB2 1 1 11 4599 1 1 10 LEU HB3 H -4.190 11.985 6.613 1.00 . A A . 10 LEU HB3 1 1 11 4600 1 1 10 LEU HD11 H -6.447 13.183 5.467 1.00 . A A . 10 LEU HD11 1 1 11 4601 1 1 10 LEU HD12 H -6.644 12.807 3.755 1.00 . A A . 10 LEU HD12 1 1 11 4602 1 1 10 LEU HD13 H -5.245 13.733 4.299 1.00 . A A . 10 LEU HD13 1 1 11 4603 1 1 10 LEU HD21 H -4.521 11.816 2.709 1.00 . A A . 10 LEU HD21 1 1 11 4604 1 1 10 LEU HD22 H -5.632 10.481 3.017 1.00 . A A . 10 LEU HD22 1 1 11 4605 1 1 10 LEU HD23 H -3.948 10.361 3.526 1.00 . A A . 10 LEU HD23 1 1 11 4606 1 1 10 LEU HG H -5.787 10.945 5.272 1.00 . A A . 10 LEU HG 1 1 11 4607 1 1 10 LEU N N -1.671 12.934 5.511 1.00 . A A . 10 LEU N 1 1 11 4608 1 1 10 LEU O O -4.766 14.348 6.441 1.00 . A A . 10 LEU O 1 1 11 4609 1 1 11 DAL C C -3.471 16.316 8.263 1.00 . A A . 11 DAL C 1 1 11 4610 1 1 11 DAL CA C -3.204 16.595 6.784 1.00 . A A . 11 DAL CA 1 1 11 4611 1 1 11 DAL CB C -2.116 17.655 6.648 1.00 . A A . 11 DAL CB 1 1 11 4612 1 1 11 DAL H H -1.910 15.335 5.690 1.00 . A A . 11 DAL H 1 1 11 4613 1 1 11 DAL HA H -4.110 16.962 6.326 1.00 . A A . 11 DAL HA 1 1 11 4614 1 1 11 DAL HB2 H -2.329 18.464 7.330 1.00 . A A . 11 DAL HB2 1 1 11 4615 1 1 11 DAL HB3 H -2.123 18.038 5.632 1.00 . A A . 11 DAL HB3 1 1 11 4616 1 1 11 DAL N N -2.809 15.384 6.084 1.00 . A A . 11 DAL N 1 1 11 4617 1 1 11 DAL O O -2.612 15.798 8.977 1.00 . A A . 11 DAL O 1 1 11 4618 1 1 12 LYS C C -6.378 17.157 10.413 1.00 . A A . 12 LYS C 1 1 11 4619 1 1 12 LYS CA C -5.054 16.464 10.106 1.00 . A A . 12 LYS CA 1 1 11 4620 1 1 12 LYS CB C -3.963 16.989 11.042 1.00 . A A . 12 LYS CB 1 1 11 4621 1 1 12 LYS CD C -2.533 18.939 11.723 1.00 . A A . 12 LYS CD 1 1 11 4622 1 1 12 LYS CE C -1.363 18.025 12.052 1.00 . A A . 12 LYS CE 1 1 11 4623 1 1 12 LYS CG C -3.415 18.347 10.637 1.00 . A A . 12 LYS CG 1 1 11 4624 1 1 12 LYS H H -5.311 17.079 8.097 1.00 . A A . 12 LYS H 1 1 11 4625 1 1 12 LYS HA H -5.172 15.403 10.264 1.00 . A A . 12 LYS HA 1 1 11 4626 1 1 12 LYS HB2 H -4.369 17.071 12.039 1.00 . A A . 12 LYS HB2 1 1 11 4627 1 1 12 LYS HB3 H -3.145 16.283 11.052 1.00 . A A . 12 LYS HB3 1 1 11 4628 1 1 12 LYS HD2 H -2.148 19.889 11.384 1.00 . A A . 12 LYS HD2 1 1 11 4629 1 1 12 LYS HD3 H -3.126 19.086 12.615 1.00 . A A . 12 LYS HD3 1 1 11 4630 1 1 12 LYS HE2 H -0.586 18.610 12.518 1.00 . A A . 12 LYS HE2 1 1 11 4631 1 1 12 LYS HE3 H -1.701 17.263 12.739 1.00 . A A . 12 LYS HE3 1 1 11 4632 1 1 12 LYS HG2 H -2.831 18.235 9.735 1.00 . A A . 12 LYS HG2 1 1 11 4633 1 1 12 LYS HG3 H -4.242 19.017 10.451 1.00 . A A . 12 LYS HG3 1 1 11 4634 1 1 12 LYS HZ1 H -0.964 17.975 10.002 1.00 . A A . 12 LYS HZ1 1 1 11 4635 1 1 12 LYS HZ2 H -1.284 16.456 10.675 1.00 . A A . 12 LYS HZ2 1 1 11 4636 1 1 12 LYS HZ3 H 0.208 17.204 10.947 1.00 . A A . 12 LYS HZ3 1 1 11 4637 1 1 12 LYS N N -4.669 16.670 8.715 1.00 . A A . 12 LYS N 1 1 11 4638 1 1 12 LYS NZ N -0.812 17.369 10.833 1.00 . A A . 12 LYS NZ 1 1 11 4639 1 1 12 LYS O O -6.665 18.247 9.917 1.00 . A A . 12 LYS O 1 1 11 4640 1 1 13 PRO C C -8.386 18.272 12.548 1.00 . A A . 13 PRO C 1 1 11 4641 1 1 13 PRO CA C -8.510 17.051 11.643 1.00 . A A . 13 PRO CA 1 1 11 4642 1 1 13 PRO CB C -9.159 15.889 12.398 1.00 . A A . 13 PRO CB 1 1 11 4643 1 1 13 PRO CD C -6.927 15.211 11.878 1.00 . A A . 13 PRO CD 1 1 11 4644 1 1 13 PRO CG C -8.015 15.082 12.908 1.00 . A A . 13 PRO CG 1 1 11 4645 1 1 13 PRO HA H -9.111 17.303 10.781 1.00 . A A . 13 PRO HA 1 1 11 4646 1 1 13 PRO HB2 H -9.763 16.275 13.208 1.00 . A A . 13 PRO HB2 1 1 11 4647 1 1 13 PRO HB3 H -9.777 15.316 11.723 1.00 . A A . 13 PRO HB3 1 1 11 4648 1 1 13 PRO HD2 H -5.957 15.210 12.353 1.00 . A A . 13 PRO HD2 1 1 11 4649 1 1 13 PRO HD3 H -6.995 14.412 11.154 1.00 . A A . 13 PRO HD3 1 1 11 4650 1 1 13 PRO HG2 H -7.683 15.474 13.856 1.00 . A A . 13 PRO HG2 1 1 11 4651 1 1 13 PRO HG3 H -8.312 14.048 13.011 1.00 . A A . 13 PRO HG3 1 1 11 4652 1 1 13 PRO N N -7.204 16.513 11.250 1.00 . A A . 13 PRO N 1 1 11 4653 1 1 13 PRO O O -7.321 18.884 12.640 1.00 . A A . 13 PRO O 1 1 11 4654 1 1 14 LEU C C -9.127 19.352 15.536 1.00 . A A . 14 LEU C 1 1 11 4655 1 1 14 LEU CA C -9.493 19.769 14.115 1.00 . A A . 14 LEU CA 1 1 11 4656 1 1 14 LEU CB C -10.871 20.434 14.106 1.00 . A A . 14 LEU CB 1 1 11 4657 1 1 14 LEU CD1 C -13.146 20.549 15.152 1.00 . A A . 14 LEU CD1 1 1 11 4658 1 1 14 LEU CD2 C -12.507 18.563 13.773 1.00 . A A . 14 LEU CD2 1 1 11 4659 1 1 14 LEU CG C -12.008 19.630 14.737 1.00 . A A . 14 LEU CG 1 1 11 4660 1 1 14 LEU H H -10.298 18.095 13.102 1.00 . A A . 14 LEU H 1 1 11 4661 1 1 14 LEU HA H -8.759 20.477 13.760 1.00 . A A . 14 LEU HA 1 1 11 4662 1 1 14 LEU HB2 H -10.791 21.368 14.639 1.00 . A A . 14 LEU HB2 1 1 11 4663 1 1 14 LEU HB3 H -11.135 20.630 13.076 1.00 . A A . 14 LEU HB3 1 1 11 4664 1 1 14 LEU HD11 H -13.905 20.551 14.385 1.00 . A A . 14 LEU HD11 1 1 11 4665 1 1 14 LEU HD12 H -12.767 21.552 15.286 1.00 . A A . 14 LEU HD12 1 1 11 4666 1 1 14 LEU HD13 H -13.572 20.199 16.081 1.00 . A A . 14 LEU HD13 1 1 11 4667 1 1 14 LEU HD21 H -11.962 17.646 13.938 1.00 . A A . 14 LEU HD21 1 1 11 4668 1 1 14 LEU HD22 H -12.353 18.897 12.757 1.00 . A A . 14 LEU HD22 1 1 11 4669 1 1 14 LEU HD23 H -13.561 18.392 13.939 1.00 . A A . 14 LEU HD23 1 1 11 4670 1 1 14 LEU HG H -11.640 19.133 15.625 1.00 . A A . 14 LEU HG 1 1 11 4671 1 1 14 LEU N N -9.480 18.621 13.216 1.00 . A A . 14 LEU N 1 1 11 4672 1 1 14 LEU O O -8.695 18.225 15.771 1.00 . A A . 14 LEU O 1 1 11 4673 1 1 15 GLY C C -7.844 20.821 18.392 1.00 . A A . 15 GLY C 1 1 11 4674 1 1 15 GLY CA C -8.990 19.978 17.868 1.00 . A A . 15 GLY CA 1 1 11 4675 1 1 15 GLY H H -9.652 21.153 16.235 1.00 . A A . 15 GLY H 1 1 11 4676 1 1 15 GLY HA2 H -9.866 20.164 18.471 1.00 . A A . 15 GLY HA2 1 1 11 4677 1 1 15 GLY HA3 H -8.721 18.936 17.952 1.00 . A A . 15 GLY HA3 1 1 11 4678 1 1 15 GLY N N -9.304 20.271 16.481 1.00 . A A . 15 GLY N 1 1 11 4679 1 1 15 GLY O O -7.938 22.047 18.439 1.00 . A A . 15 GLY O 1 1 11 4680 1 1 16 ASN C C -4.826 21.559 18.197 1.00 . A A . 16 ASN C 1 1 11 4681 1 1 16 ASN CA C -5.593 20.860 19.316 1.00 . A A . 16 ASN CA 1 1 11 4682 1 1 16 ASN CB C -4.672 19.879 20.045 1.00 . A A . 16 ASN CB 1 1 11 4683 1 1 16 ASN CG C -4.279 18.701 19.174 1.00 . A A . 16 ASN CG 1 1 11 4684 1 1 16 ASN H H -6.746 19.185 18.728 1.00 . A A . 16 ASN H 1 1 11 4685 1 1 16 ASN HA H -5.939 21.603 20.018 1.00 . A A . 16 ASN HA 1 1 11 4686 1 1 16 ASN HB2 H -3.773 20.395 20.346 1.00 . A A . 16 ASN HB2 1 1 11 4687 1 1 16 ASN HB3 H -5.178 19.502 20.921 1.00 . A A . 16 ASN HB3 1 1 11 4688 1 1 16 ASN HD21 H -2.493 19.510 18.844 1.00 . A A . 16 ASN HD21 1 1 11 4689 1 1 16 ASN HD22 H -2.781 17.988 18.078 1.00 . A A . 16 ASN HD22 1 1 11 4690 1 1 16 ASN N N -6.761 20.163 18.790 1.00 . A A . 16 ASN N 1 1 11 4691 1 1 16 ASN ND2 N -3.061 18.737 18.646 1.00 . A A . 16 ASN ND2 1 1 11 4692 1 1 16 ASN O O -3.672 21.233 17.925 1.00 . A A . 16 ASN O 1 1 11 4693 1 1 16 ASN OD1 O -5.060 17.770 18.980 1.00 . A A . 16 ASN OD1 1 1 11 4694 1 1 17 ASN C C -3.534 23.883 16.910 1.00 . A A . 17 ASN C 1 1 11 4695 1 1 17 ASN CA C -4.857 23.267 16.464 1.00 . A A . 17 ASN CA 1 1 11 4696 1 1 17 ASN CB C -5.801 24.364 15.967 1.00 . A A . 17 ASN CB 1 1 11 4697 1 1 17 ASN CG C -5.567 24.712 14.509 1.00 . A A . 17 ASN CG 1 1 11 4698 1 1 17 ASN H H -6.397 22.737 17.817 1.00 . A A . 17 ASN H 1 1 11 4699 1 1 17 ASN HA H -4.666 22.577 15.657 1.00 . A A . 17 ASN HA 1 1 11 4700 1 1 17 ASN HB2 H -6.822 24.029 16.077 1.00 . A A . 17 ASN HB2 1 1 11 4701 1 1 17 ASN HB3 H -5.652 25.255 16.559 1.00 . A A . 17 ASN HB3 1 1 11 4702 1 1 17 ASN HD21 H -7.267 25.741 14.456 1.00 . A A . 17 ASN HD21 1 1 11 4703 1 1 17 ASN HD22 H -6.368 25.698 12.981 1.00 . A A . 17 ASN HD22 1 1 11 4704 1 1 17 ASN N N -5.477 22.522 17.553 1.00 . A A . 17 ASN N 1 1 11 4705 1 1 17 ASN ND2 N -6.494 25.459 13.923 1.00 . A A . 17 ASN ND2 1 1 11 4706 1 1 17 ASN O O -3.360 24.226 18.078 1.00 . A A . 17 ASN O 1 1 11 4707 1 1 17 ASN OD1 O -4.563 24.313 13.918 1.00 . A A . 17 ASN OD1 1 1 11 4708 1 1 18 GLY C C -0.162 23.786 15.712 1.00 . A A . 18 GLY C 1 1 11 4709 1 1 18 GLY CA C -1.310 24.595 16.284 1.00 . A A . 18 GLY CA 1 1 11 4710 1 1 18 GLY H H -2.800 23.729 15.054 1.00 . A A . 18 GLY H 1 1 11 4711 1 1 18 GLY HA2 H -1.265 25.596 15.883 1.00 . A A . 18 GLY HA2 1 1 11 4712 1 1 18 GLY HA3 H -1.201 24.642 17.358 1.00 . A A . 18 GLY HA3 1 1 11 4713 1 1 18 GLY N N -2.605 24.020 15.969 1.00 . A A . 18 GLY N 1 1 11 4714 1 1 18 GLY O O 1.004 24.078 15.977 1.00 . A A . 18 GLY O 1 1 11 4715 1 1 19 TYR C C 0.505 22.044 12.800 1.00 . A A . 19 TYR C 1 1 11 4716 1 1 19 TYR CA C 0.519 21.910 14.320 1.00 . A A . 19 TYR CA 1 1 11 4717 1 1 19 TYR CB C 0.288 20.451 14.717 1.00 . A A . 19 TYR CB 1 1 11 4718 1 1 19 TYR CD1 C 2.768 20.130 14.366 1.00 . A A . 19 TYR CD1 1 1 11 4719 1 1 19 TYR CD2 C 1.568 18.434 15.534 1.00 . A A . 19 TYR CD2 1 1 11 4720 1 1 19 TYR CE1 C 3.937 19.407 14.507 1.00 . A A . 19 TYR CE1 1 1 11 4721 1 1 19 TYR CE2 C 2.732 17.705 15.682 1.00 . A A . 19 TYR CE2 1 1 11 4722 1 1 19 TYR CG C 1.565 19.657 14.875 1.00 . A A . 19 TYR CG 1 1 11 4723 1 1 19 TYR CZ C 3.914 18.195 15.166 1.00 . A A . 19 TYR CZ 1 1 11 4724 1 1 19 TYR H H -1.439 22.584 14.754 1.00 . A A . 19 TYR H 1 1 11 4725 1 1 19 TYR HA H 1.485 22.225 14.689 1.00 . A A . 19 TYR HA 1 1 11 4726 1 1 19 TYR HB2 H -0.239 20.420 15.658 1.00 . A A . 19 TYR HB2 1 1 11 4727 1 1 19 TYR HB3 H -0.311 19.969 13.958 1.00 . A A . 19 TYR HB3 1 1 11 4728 1 1 19 TYR HD1 H 2.783 21.079 13.851 1.00 . A A . 19 TYR HD1 1 1 11 4729 1 1 19 TYR HD2 H 0.641 18.052 15.937 1.00 . A A . 19 TYR HD2 1 1 11 4730 1 1 19 TYR HE1 H 4.862 19.791 14.104 1.00 . A A . 19 TYR HE1 1 1 11 4731 1 1 19 TYR HE2 H 2.715 16.756 16.197 1.00 . A A . 19 TYR HE2 1 1 11 4732 1 1 19 TYR HH H 5.128 17.125 16.204 1.00 . A A . 19 TYR HH 1 1 11 4733 1 1 19 TYR N N -0.493 22.766 14.927 1.00 . A A . 19 TYR N 1 1 11 4734 1 1 19 TYR O O -0.042 23.003 12.254 1.00 . A A . 19 TYR O 1 1 11 4735 1 1 19 TYR OH O 5.076 17.473 15.310 1.00 . A A . 19 TYR OH 1 1 11 4736 1 1 20 LEU C C 1.554 19.708 10.128 1.00 . A A . 20 LEU C 1 1 11 4737 1 1 20 LEU CA C 1.168 21.082 10.665 1.00 . A A . 20 LEU CA 1 1 11 4738 1 1 20 LEU CB C 2.170 22.132 10.179 1.00 . A A . 20 LEU CB 1 1 11 4739 1 1 20 LEU CD1 C 2.624 24.300 9.007 1.00 . A A . 20 LEU CD1 1 1 11 4740 1 1 20 LEU CD2 C 0.364 23.242 8.840 1.00 . A A . 20 LEU CD2 1 1 11 4741 1 1 20 LEU CG C 1.577 23.468 9.731 1.00 . A A . 20 LEU CG 1 1 11 4742 1 1 20 LEU H H 1.528 20.337 12.612 1.00 . A A . 20 LEU H 1 1 11 4743 1 1 20 LEU HA H 0.186 21.336 10.295 1.00 . A A . 20 LEU HA 1 1 11 4744 1 1 20 LEU HB2 H 2.858 22.330 10.986 1.00 . A A . 20 LEU HB2 1 1 11 4745 1 1 20 LEU HB3 H 2.709 21.711 9.343 1.00 . A A . 20 LEU HB3 1 1 11 4746 1 1 20 LEU HD11 H 3.271 23.650 8.438 1.00 . A A . 20 LEU HD11 1 1 11 4747 1 1 20 LEU HD12 H 3.210 24.849 9.730 1.00 . A A . 20 LEU HD12 1 1 11 4748 1 1 20 LEU HD13 H 2.134 24.994 8.340 1.00 . A A . 20 LEU HD13 1 1 11 4749 1 1 20 LEU HD21 H 0.534 22.379 8.213 1.00 . A A . 20 LEU HD21 1 1 11 4750 1 1 20 LEU HD22 H 0.205 24.112 8.221 1.00 . A A . 20 LEU HD22 1 1 11 4751 1 1 20 LEU HD23 H -0.508 23.074 9.456 1.00 . A A . 20 LEU HD23 1 1 11 4752 1 1 20 LEU HG H 1.255 24.022 10.602 1.00 . A A . 20 LEU HG 1 1 11 4753 1 1 20 LEU N N 1.110 21.075 12.122 1.00 . A A . 20 LEU N 1 1 11 4754 1 1 20 LEU O O 1.932 18.816 10.889 1.00 . A A . 20 LEU O 1 1 11 4755 1 1 21 CYS C C 3.299 18.196 7.896 1.00 . A A . 21 CYS C 1 1 11 4756 1 1 21 CYS CA C 1.800 18.278 8.173 1.00 . A A . 21 CYS CA 1 1 11 4757 1 1 21 CYS CB C 1.019 18.116 6.868 1.00 . A A . 21 CYS CB 1 1 11 4758 1 1 21 CYS H H 1.152 20.292 8.258 1.00 . A A . 21 CYS H 1 1 11 4759 1 1 21 CYS HA H 1.527 17.481 8.848 1.00 . A A . 21 CYS HA 1 1 11 4760 1 1 21 CYS HB2 H 0.681 19.087 6.537 1.00 . A A . 21 CYS HB2 1 1 11 4761 1 1 21 CYS HB3 H 1.670 17.693 6.118 1.00 . A A . 21 CYS HB3 1 1 11 4762 1 1 21 CYS N N 1.459 19.543 8.813 1.00 . A A . 21 CYS N 1 1 11 4763 1 1 21 CYS O O 4.061 19.079 8.290 1.00 . A A . 21 CYS O 1 1 11 4764 1 1 21 CYS SG S -0.444 17.039 7.006 1.00 . A A . 21 CYS SG 1 1 11 4765 1 1 22 . C C 5.986 17.153 8.111 1.00 . A A . 22 DBB C 1 1 11 4766 1 1 22 . CA C 5.110 16.928 6.893 1.00 . A A . 22 DBB CA 1 1 11 4767 1 1 22 . CB C 5.342 15.505 6.346 1.00 . A A . 22 DBB CB 1 1 11 4768 1 1 22 . CG C 4.207 15.158 5.383 1.00 . A A . 22 DBB CG 1 1 11 4769 1 1 22 . H H 3.045 16.464 6.932 1.00 . A A . 22 DBB H 1 1 11 4770 1 1 22 . HA H 5.386 17.637 6.127 1.00 . A A . 22 DBB HA 1 1 11 4771 1 1 22 . HB3 H 5.284 14.827 7.190 1.00 . A A . 22 DBB HB3 1 1 11 4772 1 1 22 . HG1 H 3.575 14.408 5.830 1.00 . A A . 22 DBB HG1 1 1 11 4773 1 1 22 . HG2 H 4.619 14.783 4.459 1.00 . A A . 22 DBB HG2 1 1 11 4774 1 1 22 . HG3 H 3.626 16.048 5.187 1.00 . A A . 22 DBB HG3 1 1 11 4775 1 1 22 . N N 3.709 17.136 7.219 1.00 . A A . 22 DBB N 1 1 11 4776 1 1 22 . O O 6.804 18.073 8.136 1.00 . A A . 22 DBB O 1 1 11 4777 1 1 23 VAL C C 6.852 15.078 10.975 1.00 . A A . 23 VAL C 1 1 11 4778 1 1 23 VAL CA C 6.565 16.446 10.367 1.00 . A A . 23 VAL CA 1 1 11 4779 1 1 23 VAL CB C 5.821 17.309 11.404 1.00 . A A . 23 VAL CB 1 1 11 4780 1 1 23 VAL CG1 C 6.764 17.734 12.520 1.00 . A A . 23 VAL CG1 1 1 11 4781 1 1 23 VAL CG2 C 5.194 18.523 10.735 1.00 . A A . 23 VAL CG2 1 1 11 4782 1 1 23 VAL H H 5.132 15.609 9.053 1.00 . A A . 23 VAL H 1 1 11 4783 1 1 23 VAL HA H 7.502 16.930 10.133 1.00 . A A . 23 VAL HA 1 1 11 4784 1 1 23 VAL HB H 5.031 16.715 11.837 1.00 . A A . 23 VAL HB 1 1 11 4785 1 1 23 VAL HG11 H 7.761 17.853 12.123 1.00 . A A . 23 VAL HG11 1 1 11 4786 1 1 23 VAL HG12 H 6.427 18.671 12.939 1.00 . A A . 23 VAL HG12 1 1 11 4787 1 1 23 VAL HG13 H 6.773 16.977 13.291 1.00 . A A . 23 VAL HG13 1 1 11 4788 1 1 23 VAL HG21 H 4.235 18.250 10.320 1.00 . A A . 23 VAL HG21 1 1 11 4789 1 1 23 VAL HG22 H 5.061 19.307 11.465 1.00 . A A . 23 VAL HG22 1 1 11 4790 1 1 23 VAL HG23 H 5.842 18.874 9.944 1.00 . A A . 23 VAL HG23 1 1 11 4791 1 1 23 VAL N N 5.800 16.323 9.132 1.00 . A A . 23 VAL N 1 1 11 4792 1 1 23 VAL O O 6.039 14.158 10.868 1.00 . A A . 23 VAL O 1 1 11 4793 1 1 24 . C C 8.811 12.684 11.173 1.00 . A A . 24 DBB C 1 1 11 4794 1 1 24 . CA C 8.410 13.700 12.226 1.00 . A A . 24 DBB CA 1 1 11 4795 1 1 24 . CB C 9.584 13.922 13.203 1.00 . A A . 24 DBB CB 1 1 11 4796 1 1 24 . CG C 9.501 15.345 13.754 1.00 . A A . 24 DBB CG 1 1 11 4797 1 1 24 . H H 8.614 15.729 11.657 1.00 . A A . 24 DBB H 1 1 11 4798 1 1 24 . HA H 7.571 13.314 12.785 1.00 . A A . 24 DBB HA 1 1 11 4799 1 1 24 . HB3 H 10.497 13.840 12.625 1.00 . A A . 24 DBB HB3 1 1 11 4800 1 1 24 . HG1 H 9.890 15.363 14.759 1.00 . A A . 24 DBB HG1 1 1 11 4801 1 1 24 . HG2 H 8.472 15.671 13.756 1.00 . A A . 24 DBB HG2 1 1 11 4802 1 1 24 . HG3 H 10.089 16.001 13.128 1.00 . A A . 24 DBB HG3 1 1 11 4803 1 1 24 . N N 8.007 14.952 11.608 1.00 . A A . 24 DBB N 1 1 11 4804 1 1 24 . O O 8.734 12.955 9.975 1.00 . A A . 24 DBB O 1 1 11 4805 1 1 25 LYS C C 9.037 10.618 9.346 1.00 . A A . 25 LYS C 1 1 11 4806 1 1 25 LYS CA C 9.695 10.463 10.713 1.00 . A A . 25 LYS CA 1 1 11 4807 1 1 25 LYS CB C 9.364 9.088 11.297 1.00 . A A . 25 LYS CB 1 1 11 4808 1 1 25 LYS CD C 10.344 7.388 12.866 1.00 . A A . 25 LYS CD 1 1 11 4809 1 1 25 LYS CE C 11.004 6.026 12.714 1.00 . A A . 25 LYS CE 1 1 11 4810 1 1 25 LYS CG C 10.592 8.265 11.651 1.00 . A A . 25 LYS CG 1 1 11 4811 1 1 25 LYS H H 9.298 11.359 12.589 1.00 . A A . 25 LYS H 1 1 11 4812 1 1 25 LYS HA H 10.765 10.547 10.595 1.00 . A A . 25 LYS HA 1 1 11 4813 1 1 25 LYS HB2 H 8.777 9.222 12.193 1.00 . A A . 25 LYS HB2 1 1 11 4814 1 1 25 LYS HB3 H 8.782 8.534 10.575 1.00 . A A . 25 LYS HB3 1 1 11 4815 1 1 25 LYS HD2 H 10.748 7.875 13.740 1.00 . A A . 25 LYS HD2 1 1 11 4816 1 1 25 LYS HD3 H 9.278 7.250 12.988 1.00 . A A . 25 LYS HD3 1 1 11 4817 1 1 25 LYS HE2 H 12.074 6.162 12.673 1.00 . A A . 25 LYS HE2 1 1 11 4818 1 1 25 LYS HE3 H 10.751 5.420 13.571 1.00 . A A . 25 LYS HE3 1 1 11 4819 1 1 25 LYS HG2 H 10.846 7.636 10.811 1.00 . A A . 25 LYS HG2 1 1 11 4820 1 1 25 LYS HG3 H 11.413 8.935 11.863 1.00 . A A . 25 LYS HG3 1 1 11 4821 1 1 25 LYS HZ1 H 11.076 5.691 10.653 1.00 . A A . 25 LYS HZ1 1 1 11 4822 1 1 25 LYS HZ2 H 9.539 5.482 11.328 1.00 . A A . 25 LYS HZ2 1 1 11 4823 1 1 25 LYS HZ3 H 10.732 4.306 11.560 1.00 . A A . 25 LYS HZ3 1 1 11 4824 1 1 25 LYS N N 9.260 11.516 11.622 1.00 . A A . 25 LYS N 1 1 11 4825 1 1 25 LYS NZ N 10.556 5.327 11.477 1.00 . A A . 25 LYS NZ 1 1 11 4826 1 1 25 LYS O O 9.648 10.332 8.317 1.00 . A A . 25 LYS O 1 1 11 4827 1 1 26 GLU C C 7.869 12.073 7.099 1.00 . A A . 26 GLU C 1 1 11 4828 1 1 26 GLU CA C 7.048 11.266 8.101 1.00 . A A . 26 GLU CA 1 1 11 4829 1 1 26 GLU CB C 5.721 11.975 8.378 1.00 . A A . 26 GLU CB 1 1 11 4830 1 1 26 GLU CD C 3.634 12.016 9.801 1.00 . A A . 26 GLU CD 1 1 11 4831 1 1 26 GLU CG C 5.083 11.579 9.699 1.00 . A A . 26 GLU CG 1 1 11 4832 1 1 26 GLU H H 7.354 11.283 10.196 1.00 . A A . 26 GLU H 1 1 11 4833 1 1 26 GLU HA H 6.845 10.293 7.682 1.00 . A A . 26 GLU HA 1 1 11 4834 1 1 26 GLU HB2 H 5.891 13.041 8.388 1.00 . A A . 26 GLU HB2 1 1 11 4835 1 1 26 GLU HB3 H 5.029 11.739 7.583 1.00 . A A . 26 GLU HB3 1 1 11 4836 1 1 26 GLU HG2 H 5.126 10.505 9.797 1.00 . A A . 26 GLU HG2 1 1 11 4837 1 1 26 GLU HG3 H 5.639 12.036 10.504 1.00 . A A . 26 GLU HG3 1 1 11 4838 1 1 26 GLU N N 7.788 11.073 9.343 1.00 . A A . 26 GLU N 1 1 11 4839 1 1 26 GLU O O 7.994 11.693 5.934 1.00 . A A . 26 GLU O 1 1 11 4840 1 1 26 GLU OE1 O 2.990 12.183 8.744 1.00 . A A . 26 GLU OE1 1 1 11 4841 1 1 26 GLU OE2 O 3.145 12.191 10.936 1.00 . A A . 26 GLU OE2 1 1 11 4842 1 1 27 CYS C C 10.615 14.277 7.314 1.00 . A A . 27 CYS C 1 1 11 4843 1 1 27 CYS CA C 9.234 14.049 6.706 1.00 . A A . 27 CYS CA 1 1 11 4844 1 1 27 CYS CB C 8.532 15.391 6.490 1.00 . A A . 27 CYS CB 1 1 11 4845 1 1 27 CYS H H 8.290 13.437 8.499 1.00 . A A . 27 CYS H 1 1 11 4846 1 1 27 CYS HA H 9.351 13.557 5.753 1.00 . A A . 27 CYS HA 1 1 11 4847 1 1 27 CYS HB2 H 8.316 15.834 7.452 1.00 . A A . 27 CYS HB2 1 1 11 4848 1 1 27 CYS HB3 H 9.188 16.047 5.937 1.00 . A A . 27 CYS HB3 1 1 11 4849 1 1 27 CYS N N 8.426 13.187 7.560 1.00 . A A . 27 CYS N 1 1 11 4850 1 1 27 CYS O O 11.529 14.755 6.642 1.00 . A A . 27 CYS O 1 1 11 4851 1 1 27 CYS SG S 6.963 15.271 5.572 1.00 . A A . 27 CYS SG 1 1 11 4852 1 1 28 MET C C 12.448 12.796 9.967 1.00 . A A . 28 MET C 1 1 11 4853 1 1 28 MET CA C 12.029 14.095 9.286 1.00 . A A . 28 MET CA 1 1 11 4854 1 1 28 MET CB C 11.924 15.216 10.322 1.00 . A A . 28 MET CB 1 1 11 4855 1 1 28 MET CE C 15.424 17.135 11.357 1.00 . A A . 28 MET CE 1 1 11 4856 1 1 28 MET CG C 13.056 16.228 10.238 1.00 . A A . 28 MET CG 1 1 11 4857 1 1 28 MET H H 9.994 13.553 9.072 1.00 . A A . 28 MET H 1 1 11 4858 1 1 28 MET HA H 12.777 14.361 8.555 1.00 . A A . 28 MET HA 1 1 11 4859 1 1 28 MET HB2 H 10.991 15.739 10.175 1.00 . A A . 28 MET HB2 1 1 11 4860 1 1 28 MET HB3 H 11.933 14.781 11.310 1.00 . A A . 28 MET HB3 1 1 11 4861 1 1 28 MET HE1 H 15.323 17.837 10.541 1.00 . A A . 28 MET HE1 1 1 11 4862 1 1 28 MET HE2 H 14.974 17.550 12.247 1.00 . A A . 28 MET HE2 1 1 11 4863 1 1 28 MET HE3 H 16.470 16.941 11.539 1.00 . A A . 28 MET HE3 1 1 11 4864 1 1 28 MET HG2 H 13.220 16.480 9.201 1.00 . A A . 28 MET HG2 1 1 11 4865 1 1 28 MET HG3 H 12.767 17.116 10.781 1.00 . A A . 28 MET HG3 1 1 11 4866 1 1 28 MET N N 10.759 13.930 8.588 1.00 . A A . 28 MET N 1 1 11 4867 1 1 28 MET O O 11.805 12.324 10.906 1.00 . A A . 28 MET O 1 1 11 4868 1 1 28 MET SD S 14.599 15.603 10.930 1.00 . A A . 28 MET SD 1 1 11 4869 1 1 29 PRO C C 14.667 11.131 11.429 1.00 . A A . 29 PRO C 1 1 11 4870 1 1 29 PRO CA C 14.079 10.950 10.034 1.00 . A A . 29 PRO CA 1 1 11 4871 1 1 29 PRO CB C 15.174 10.561 9.038 1.00 . A A . 29 PRO CB 1 1 11 4872 1 1 29 PRO CD C 14.365 12.709 8.369 1.00 . A A . 29 PRO CD 1 1 11 4873 1 1 29 PRO CG C 15.598 11.849 8.419 1.00 . A A . 29 PRO CG 1 1 11 4874 1 1 29 PRO HA H 13.323 10.178 10.060 1.00 . A A . 29 PRO HA 1 1 11 4875 1 1 29 PRO HB2 H 15.991 10.088 9.564 1.00 . A A . 29 PRO HB2 1 1 11 4876 1 1 29 PRO HB3 H 14.772 9.883 8.301 1.00 . A A . 29 PRO HB3 1 1 11 4877 1 1 29 PRO HD2 H 14.623 13.747 8.519 1.00 . A A . 29 PRO HD2 1 1 11 4878 1 1 29 PRO HD3 H 13.852 12.579 7.428 1.00 . A A . 29 PRO HD3 1 1 11 4879 1 1 29 PRO HG2 H 16.357 12.316 9.027 1.00 . A A . 29 PRO HG2 1 1 11 4880 1 1 29 PRO HG3 H 15.971 11.671 7.421 1.00 . A A . 29 PRO HG3 1 1 11 4881 1 1 29 PRO N N 13.550 12.203 9.486 1.00 . A A . 29 PRO N 1 1 11 4882 1 1 29 PRO O O 14.928 10.156 12.134 1.00 . A A . 29 PRO O 1 1 11 4883 1 1 30 SER C C 14.369 12.580 14.219 1.00 . A A . 30 SER C 1 1 11 4884 1 1 30 SER CA C 15.434 12.692 13.132 1.00 . A A . 30 SER CA 1 1 11 4885 1 1 30 SER CB C 16.036 14.098 13.135 1.00 . A A . 30 SER CB 1 1 11 4886 1 1 30 SER H H 14.645 13.118 11.214 1.00 . A A . 30 SER H 1 1 11 4887 1 1 30 SER HA H 16.215 11.975 13.335 1.00 . A A . 30 SER HA 1 1 11 4888 1 1 30 SER HB2 H 16.487 14.296 12.175 1.00 . A A . 30 SER HB2 1 1 11 4889 1 1 30 SER HB3 H 15.255 14.821 13.321 1.00 . A A . 30 SER HB3 1 1 11 4890 1 1 30 SER HG H 17.087 15.145 14.415 1.00 . A A . 30 SER HG 1 1 11 4891 1 1 30 SER N N 14.873 12.384 11.822 1.00 . A A . 30 SER N 1 1 11 4892 1 1 30 SER O O 14.445 13.249 15.250 1.00 . A A . 30 SER O 1 1 11 4893 1 1 30 SER OG O 17.026 14.227 14.140 1.00 . A A . 30 SER OG 1 1 11 4894 1 1 31 CYS C C 12.569 10.319 15.824 1.00 . A A . 31 CYS C 1 1 11 4895 1 1 31 CYS CA C 12.293 11.530 14.936 1.00 . A A . 31 CYS CA 1 1 11 4896 1 1 31 CYS CB C 10.964 11.345 14.202 1.00 . A A . 31 CYS CB 1 1 11 4897 1 1 31 CYS H H 13.370 11.225 13.139 1.00 . A A . 31 CYS H 1 1 11 4898 1 1 31 CYS HA H 12.232 12.410 15.558 1.00 . A A . 31 CYS HA 1 1 11 4899 1 1 31 CYS HB2 H 11.146 11.346 13.137 1.00 . A A . 31 CYS HB2 1 1 11 4900 1 1 31 CYS HB3 H 10.533 10.397 14.487 1.00 . A A . 31 CYS HB3 1 1 11 4901 1 1 31 CYS N N 13.376 11.730 13.980 1.00 . A A . 31 CYS N 1 1 11 4902 1 1 31 CYS O O 12.786 9.213 15.332 1.00 . A A . 31 CYS O 1 1 11 4903 1 1 31 CYS SG S 9.734 12.642 14.553 1.00 . A A . 31 CYS SG 1 1 11 4904 1 1 32 ASN C C 11.839 9.551 19.267 1.00 . A A . 32 ASN C 1 1 11 4905 1 1 32 ASN CA C 12.808 9.467 18.091 1.00 . A A . 32 ASN CA 1 1 11 4906 1 1 32 ASN CB C 14.250 9.532 18.598 1.00 . A A . 32 ASN CB 1 1 11 4907 1 1 32 ASN CG C 14.494 10.731 19.493 1.00 . A A . 32 ASN CG 1 1 11 4908 1 1 32 ASN H H 12.379 11.443 17.466 1.00 . A A . 32 ASN H 1 1 11 4909 1 1 32 ASN HA H 12.657 8.527 17.582 1.00 . A A . 32 ASN HA 1 1 11 4910 1 1 32 ASN HB2 H 14.468 8.636 19.161 1.00 . A A . 32 ASN HB2 1 1 11 4911 1 1 32 ASN HB3 H 14.920 9.593 17.753 1.00 . A A . 32 ASN HB3 1 1 11 4912 1 1 32 ASN HD21 H 15.664 11.555 18.112 1.00 . A A . 32 ASN HD21 1 1 11 4913 1 1 32 ASN HD22 H 15.462 12.466 19.566 1.00 . A A . 32 ASN HD22 1 1 11 4914 1 1 32 ASN N N 12.558 10.539 17.134 1.00 . A A . 32 ASN N 1 1 11 4915 1 1 32 ASN ND2 N 15.286 11.680 19.008 1.00 . A A . 32 ASN ND2 1 1 11 4916 1 1 32 ASN O O 10.623 9.576 19.081 1.00 . A A . 32 ASN O 1 1 11 4917 1 1 32 ASN OD1 O 13.976 10.803 20.608 1.00 . A A . 32 ASN OD1 1 1 12 4918 1 1 1 2KT C1 C -1.719 12.103 21.224 1.00 . A A . 1 2KT C1 1 1 12 4919 1 1 1 2KT C2 C -1.267 12.721 22.323 1.00 . A A . 1 2KT C2 1 1 12 4920 1 1 1 2KT C3 C -0.110 12.448 22.777 1.00 . A A . 1 2KT C3 1 1 12 4921 1 1 1 2KT C4 C 0.772 13.364 22.563 1.00 . A A . 1 2KT C4 1 1 12 4922 1 1 1 2KT H31 H 0.415 11.692 22.385 1.00 . A A . 1 2KT H31 1 1 12 4923 1 1 1 2KT H32 H 0.004 12.195 23.738 1.00 . A A . 1 2KT H32 1 1 12 4924 1 1 1 2KT H41 H 0.713 14.237 23.047 1.00 . A A . 1 2KT H41 1 1 12 4925 1 1 1 2KT H42 H 1.737 13.183 22.749 1.00 . A A . 1 2KT H42 1 1 12 4926 1 1 1 2KT H43 H 0.890 13.739 21.643 1.00 . A A . 1 2KT H43 1 1 12 4927 1 1 1 2KT O1 O -0.998 11.251 20.704 1.00 . A A . 1 2KT O1 1 1 12 4928 1 1 1 2KT O3 O -1.994 13.550 22.876 1.00 . A A . 1 2KT O3 1 1 12 4929 1 1 2 ILE C C -2.780 12.324 18.290 1.00 . A A . 2 ILE C 1 1 12 4930 1 1 2 ILE CA C -3.458 11.797 19.550 1.00 . A A . 2 ILE CA 1 1 12 4931 1 1 2 ILE CB C -4.977 12.024 19.436 1.00 . A A . 2 ILE CB 1 1 12 4932 1 1 2 ILE CD1 C -5.651 13.742 21.188 1.00 . A A . 2 ILE CD1 1 1 12 4933 1 1 2 ILE CG1 C -5.321 13.484 19.734 1.00 . A A . 2 ILE CG1 1 1 12 4934 1 1 2 ILE CG2 C -5.724 11.094 20.380 1.00 . A A . 2 ILE CG2 1 1 12 4935 1 1 2 ILE H H -3.440 13.119 21.203 1.00 . A A . 2 ILE H 1 1 12 4936 1 1 2 ILE HA H -3.277 10.735 19.627 1.00 . A A . 2 ILE HA 1 1 12 4937 1 1 2 ILE HB H -5.278 11.789 18.426 1.00 . A A . 2 ILE HB 1 1 12 4938 1 1 2 ILE HD11 H -6.724 13.761 21.315 1.00 . A A . 2 ILE HD11 1 1 12 4939 1 1 2 ILE HD12 H -5.231 12.957 21.798 1.00 . A A . 2 ILE HD12 1 1 12 4940 1 1 2 ILE HD13 H -5.237 14.693 21.488 1.00 . A A . 2 ILE HD13 1 1 12 4941 1 1 2 ILE HG12 H -4.481 14.107 19.470 1.00 . A A . 2 ILE HG12 1 1 12 4942 1 1 2 ILE HG13 H -6.178 13.773 19.142 1.00 . A A . 2 ILE HG13 1 1 12 4943 1 1 2 ILE HG21 H -5.094 10.858 21.225 1.00 . A A . 2 ILE HG21 1 1 12 4944 1 1 2 ILE HG22 H -6.623 11.581 20.728 1.00 . A A . 2 ILE HG22 1 1 12 4945 1 1 2 ILE HG23 H -5.984 10.185 19.860 1.00 . A A . 2 ILE HG23 1 1 12 4946 1 1 2 ILE N N -2.913 12.433 20.744 1.00 . A A . 2 ILE N 1 1 12 4947 1 1 2 ILE O O -2.807 13.524 18.016 1.00 . A A . 2 ILE O 1 1 12 4948 1 1 3 . C C -0.258 10.925 16.102 1.00 . A A . 3 DBB C 1 1 12 4949 1 1 3 . CA C -1.489 11.788 16.305 1.00 . A A . 3 DBB CA 1 1 12 4950 1 1 3 . CB C -2.424 11.650 15.085 1.00 . A A . 3 DBB CB 1 1 12 4951 1 1 3 . CG C -3.715 12.418 15.367 1.00 . A A . 3 DBB CG 1 1 12 4952 1 1 3 . H H -2.195 10.475 17.809 1.00 . A A . 3 DBB H 1 1 12 4953 1 1 3 . HA H -1.184 12.821 16.385 1.00 . A A . 3 DBB HA 1 1 12 4954 1 1 3 . HB3 H -2.673 10.599 14.995 1.00 . A A . 3 DBB HB3 1 1 12 4955 1 1 3 . HG1 H -4.369 11.810 15.971 1.00 . A A . 3 DBB HG1 1 1 12 4956 1 1 3 . HG2 H -4.201 12.660 14.435 1.00 . A A . 3 DBB HG2 1 1 12 4957 1 1 3 . HG3 H -3.475 13.328 15.900 1.00 . A A . 3 DBB HG3 1 1 12 4958 1 1 3 . N N -2.179 11.423 17.531 1.00 . A A . 3 DBB N 1 1 12 4959 1 1 3 . O O 0.027 10.488 14.986 1.00 . A A . 3 DBB O 1 1 12 4960 1 1 4 LEU C C 1.601 8.836 16.021 1.00 . A A . 4 LEU C 1 1 12 4961 1 1 4 LEU CA C 1.704 9.897 17.112 1.00 . A A . 4 LEU CA 1 1 12 4962 1 1 4 LEU CB C 1.977 9.232 18.462 1.00 . A A . 4 LEU CB 1 1 12 4963 1 1 4 LEU CD1 C 2.057 10.043 20.832 1.00 . A A . 4 LEU CD1 1 1 12 4964 1 1 4 LEU CD2 C 4.184 9.574 19.603 1.00 . A A . 4 LEU CD2 1 1 12 4965 1 1 4 LEU CG C 2.751 10.072 19.479 1.00 . A A . 4 LEU CG 1 1 12 4966 1 1 4 LEU H H 0.207 11.069 18.041 1.00 . A A . 4 LEU H 1 1 12 4967 1 1 4 LEU HA H 2.522 10.562 16.875 1.00 . A A . 4 LEU HA 1 1 12 4968 1 1 4 LEU HB2 H 1.027 8.973 18.901 1.00 . A A . 4 LEU HB2 1 1 12 4969 1 1 4 LEU HB3 H 2.544 8.330 18.277 1.00 . A A . 4 LEU HB3 1 1 12 4970 1 1 4 LEU HD11 H 2.259 9.103 21.321 1.00 . A A . 4 LEU HD11 1 1 12 4971 1 1 4 LEU HD12 H 0.991 10.155 20.693 1.00 . A A . 4 LEU HD12 1 1 12 4972 1 1 4 LEU HD13 H 2.426 10.854 21.443 1.00 . A A . 4 LEU HD13 1 1 12 4973 1 1 4 LEU HD21 H 4.801 10.071 18.870 1.00 . A A . 4 LEU HD21 1 1 12 4974 1 1 4 LEU HD22 H 4.210 8.508 19.433 1.00 . A A . 4 LEU HD22 1 1 12 4975 1 1 4 LEU HD23 H 4.555 9.790 20.594 1.00 . A A . 4 LEU HD23 1 1 12 4976 1 1 4 LEU HG H 2.780 11.098 19.141 1.00 . A A . 4 LEU HG 1 1 12 4977 1 1 4 LEU N N 0.485 10.695 17.179 1.00 . A A . 4 LEU N 1 1 12 4978 1 1 4 LEU O O 0.613 8.098 15.968 1.00 . A A . 4 LEU O 1 1 12 4979 1 1 5 DHA C C 2.791 8.282 12.813 1.00 . A A . 5 DHA C 1 1 12 4980 1 1 5 DHA CA C 2.637 7.853 14.149 1.00 . A A . 5 DHA CA 1 1 12 4981 1 1 5 DHA CB C 2.540 6.547 14.424 1.00 . A A . 5 DHA CB 1 1 12 4982 1 1 5 DHA H H 3.345 9.410 15.313 1.00 . A A . 5 DHA H 1 1 12 4983 1 1 5 DHA HB1 H 2.432 6.214 15.447 1.00 . A A . 5 DHA HB1 1 1 12 4984 1 1 5 DHA HB2 H 2.602 5.824 13.632 1.00 . A A . 5 DHA HB2 1 1 12 4985 1 1 5 DHA N N 2.621 8.771 15.167 1.00 . A A . 5 DHA N 1 1 12 4986 1 1 5 DHA O O 3.817 8.861 12.442 1.00 . A A . 5 DHA O 1 1 12 4987 1 1 6 DBU C C 0.945 9.750 10.339 1.00 . A A . 6 DBU C 1 1 12 4988 1 1 6 DBU CA C 1.771 8.540 10.739 1.00 . A A . 6 DBU CA 1 1 12 4989 1 1 6 DBU CB C 2.532 7.914 9.828 1.00 . A A . 6 DBU CB 1 1 12 4990 1 1 6 DBU CG C 3.341 6.723 10.250 1.00 . A A . 6 DBU CG 1 1 12 4991 1 1 6 DBU H1 H 0.969 7.628 12.423 1.00 . A A . 6 DBU H1 1 1 12 4992 1 1 6 DBU HB1 H 2.552 8.264 8.806 1.00 . A A . 6 DBU HB1 1 1 12 4993 1 1 6 DBU HG1 H 2.854 6.231 11.077 1.00 . A A . 6 DBU HG1 1 1 12 4994 1 1 6 DBU HG2 H 4.322 7.043 10.561 1.00 . A A . 6 DBU HG2 1 1 12 4995 1 1 6 DBU HG3 H 3.427 6.040 9.417 1.00 . A A . 6 DBU HG3 1 1 12 4996 1 1 6 DBU N N 1.734 8.102 12.029 1.00 . A A . 6 DBU N 1 1 12 4997 1 1 6 DBU O O 1.101 10.299 9.248 1.00 . A A . 6 DBU O 1 1 12 4998 1 1 7 CYS C C -0.093 12.593 11.036 1.00 . A A . 7 CYS C 1 1 12 4999 1 1 7 CYS CA C -0.853 11.271 10.957 1.00 . A A . 7 CYS CA 1 1 12 5000 1 1 7 CYS CB C -2.015 11.278 11.952 1.00 . A A . 7 CYS CB 1 1 12 5001 1 1 7 CYS H H -0.043 9.668 12.077 1.00 . A A . 7 CYS H 1 1 12 5002 1 1 7 CYS HA H -1.246 11.155 9.959 1.00 . A A . 7 CYS HA 1 1 12 5003 1 1 7 CYS HB2 H -2.869 11.753 11.492 1.00 . A A . 7 CYS HB2 1 1 12 5004 1 1 7 CYS HB3 H -2.269 10.259 12.205 1.00 . A A . 7 CYS HB3 1 1 12 5005 1 1 7 CYS N N 0.035 10.145 11.223 1.00 . A A . 7 CYS N 1 1 12 5006 1 1 7 CYS O O -0.265 13.470 10.190 1.00 . A A . 7 CYS O 1 1 12 5007 1 1 7 CYS SG S -1.659 12.163 13.504 1.00 . A A . 7 CYS SG 1 1 12 5008 1 1 8 ALA C C 2.653 14.031 11.213 1.00 . A A . 8 ALA C 1 1 12 5009 1 1 8 ALA CA C 1.534 13.938 12.245 1.00 . A A . 8 ALA CA 1 1 12 5010 1 1 8 ALA CB C 2.108 13.982 13.653 1.00 . A A . 8 ALA CB 1 1 12 5011 1 1 8 ALA H H 0.841 11.991 12.698 1.00 . A A . 8 ALA H 1 1 12 5012 1 1 8 ALA HA H 0.875 14.786 12.124 1.00 . A A . 8 ALA HA 1 1 12 5013 1 1 8 ALA HB1 H 2.337 12.977 13.979 1.00 . A A . 8 ALA HB1 1 1 12 5014 1 1 8 ALA HB2 H 3.009 14.577 13.657 1.00 . A A . 8 ALA HB2 1 1 12 5015 1 1 8 ALA HB3 H 1.383 14.420 14.323 1.00 . A A . 8 ALA HB3 1 1 12 5016 1 1 8 ALA N N 0.747 12.726 12.057 1.00 . A A . 8 ALA N 1 1 12 5017 1 1 8 ALA O O 3.327 15.056 11.106 1.00 . A A . 8 ALA O 1 1 12 5018 1 1 9 ILE C C 3.319 13.283 8.065 1.00 . A A . 9 ILE C 1 1 12 5019 1 1 9 ILE CA C 3.883 12.918 9.434 1.00 . A A . 9 ILE CA 1 1 12 5020 1 1 9 ILE CB C 4.542 11.528 9.351 1.00 . A A . 9 ILE CB 1 1 12 5021 1 1 9 ILE CD1 C 6.046 9.953 10.669 1.00 . A A . 9 ILE CD1 1 1 12 5022 1 1 9 ILE CG1 C 5.071 11.109 10.724 1.00 . A A . 9 ILE CG1 1 1 12 5023 1 1 9 ILE CG2 C 5.665 11.534 8.324 1.00 . A A . 9 ILE CG2 1 1 12 5024 1 1 9 ILE H H 2.277 12.170 10.590 1.00 . A A . 9 ILE H 1 1 12 5025 1 1 9 ILE HA H 4.642 13.639 9.702 1.00 . A A . 9 ILE HA 1 1 12 5026 1 1 9 ILE HB H 3.796 10.819 9.029 1.00 . A A . 9 ILE HB 1 1 12 5027 1 1 9 ILE HD11 H 5.697 9.222 9.954 1.00 . A A . 9 ILE HD11 1 1 12 5028 1 1 9 ILE HD12 H 7.017 10.315 10.366 1.00 . A A . 9 ILE HD12 1 1 12 5029 1 1 9 ILE HD13 H 6.119 9.495 11.644 1.00 . A A . 9 ILE HD13 1 1 12 5030 1 1 9 ILE HG12 H 5.576 11.946 11.180 1.00 . A A . 9 ILE HG12 1 1 12 5031 1 1 9 ILE HG13 H 4.240 10.813 11.347 1.00 . A A . 9 ILE HG13 1 1 12 5032 1 1 9 ILE HG21 H 6.135 10.562 8.299 1.00 . A A . 9 ILE HG21 1 1 12 5033 1 1 9 ILE HG22 H 5.259 11.762 7.350 1.00 . A A . 9 ILE HG22 1 1 12 5034 1 1 9 ILE HG23 H 6.396 12.281 8.594 1.00 . A A . 9 ILE HG23 1 1 12 5035 1 1 9 ILE N N 2.846 12.956 10.457 1.00 . A A . 9 ILE N 1 1 12 5036 1 1 9 ILE O O 3.913 14.069 7.326 1.00 . A A . 9 ILE O 1 1 12 5037 1 1 10 LEU C C 0.476 14.076 6.590 1.00 . A A . 10 LEU C 1 1 12 5038 1 1 10 LEU CA C 1.521 12.974 6.453 1.00 . A A . 10 LEU CA 1 1 12 5039 1 1 10 LEU CB C 0.868 11.699 5.916 1.00 . A A . 10 LEU CB 1 1 12 5040 1 1 10 LEU CD1 C -0.201 10.489 3.998 1.00 . A A . 10 LEU CD1 1 1 12 5041 1 1 10 LEU CD2 C 0.382 12.911 3.776 1.00 . A A . 10 LEU CD2 1 1 12 5042 1 1 10 LEU CG C 0.782 11.580 4.394 1.00 . A A . 10 LEU CG 1 1 12 5043 1 1 10 LEU H H 1.742 12.091 8.364 1.00 . A A . 10 LEU H 1 1 12 5044 1 1 10 LEU HA H 2.281 13.299 5.759 1.00 . A A . 10 LEU HA 1 1 12 5045 1 1 10 LEU HB2 H 1.435 10.857 6.282 1.00 . A A . 10 LEU HB2 1 1 12 5046 1 1 10 LEU HB3 H -0.138 11.653 6.309 1.00 . A A . 10 LEU HB3 1 1 12 5047 1 1 10 LEU HD11 H -0.644 10.733 3.045 1.00 . A A . 10 LEU HD11 1 1 12 5048 1 1 10 LEU HD12 H -0.976 10.415 4.747 1.00 . A A . 10 LEU HD12 1 1 12 5049 1 1 10 LEU HD13 H 0.319 9.545 3.924 1.00 . A A . 10 LEU HD13 1 1 12 5050 1 1 10 LEU HD21 H 0.947 13.707 4.238 1.00 . A A . 10 LEU HD21 1 1 12 5051 1 1 10 LEU HD22 H -0.673 13.078 3.934 1.00 . A A . 10 LEU HD22 1 1 12 5052 1 1 10 LEU HD23 H 0.588 12.892 2.715 1.00 . A A . 10 LEU HD23 1 1 12 5053 1 1 10 LEU HG H 1.754 11.308 4.005 1.00 . A A . 10 LEU HG 1 1 12 5054 1 1 10 LEU N N 2.168 12.708 7.734 1.00 . A A . 10 LEU N 1 1 12 5055 1 1 10 LEU O O -0.555 14.061 5.915 1.00 . A A . 10 LEU O 1 1 12 5056 1 1 11 DAL C C -1.610 15.642 7.829 1.00 . A A . 11 DAL C 1 1 12 5057 1 1 11 DAL CA C -0.171 16.137 7.690 1.00 . A A . 11 DAL CA 1 1 12 5058 1 1 11 DAL CB C 0.235 16.901 8.947 1.00 . A A . 11 DAL CB 1 1 12 5059 1 1 11 DAL H H 1.583 14.996 7.977 1.00 . A A . 11 DAL H 1 1 12 5060 1 1 11 DAL HA H -0.107 16.800 6.842 1.00 . A A . 11 DAL HA 1 1 12 5061 1 1 11 DAL HB2 H 0.540 16.194 9.702 1.00 . A A . 11 DAL HB2 1 1 12 5062 1 1 11 DAL HB3 H -0.622 17.460 9.311 1.00 . A A . 11 DAL HB3 1 1 12 5063 1 1 11 DAL N N 0.746 15.032 7.463 1.00 . A A . 11 DAL N 1 1 12 5064 1 1 11 DAL O O -1.867 14.439 7.876 1.00 . A A . 11 DAL O 1 1 12 5065 1 1 12 LYS C C -4.786 17.501 8.314 1.00 . A A . 12 LYS C 1 1 12 5066 1 1 12 LYS CA C -3.958 16.251 8.036 1.00 . A A . 12 LYS CA 1 1 12 5067 1 1 12 LYS CB C -4.156 15.233 9.161 1.00 . A A . 12 LYS CB 1 1 12 5068 1 1 12 LYS CD C -3.766 14.653 11.574 1.00 . A A . 12 LYS CD 1 1 12 5069 1 1 12 LYS CE C -3.516 15.326 12.915 1.00 . A A . 12 LYS CE 1 1 12 5070 1 1 12 LYS CG C -3.363 15.552 10.417 1.00 . A A . 12 LYS CG 1 1 12 5071 1 1 12 LYS H H -2.278 17.526 7.856 1.00 . A A . 12 LYS H 1 1 12 5072 1 1 12 LYS HA H -4.288 15.815 7.105 1.00 . A A . 12 LYS HA 1 1 12 5073 1 1 12 LYS HB2 H -5.204 15.201 9.420 1.00 . A A . 12 LYS HB2 1 1 12 5074 1 1 12 LYS HB3 H -3.852 14.259 8.806 1.00 . A A . 12 LYS HB3 1 1 12 5075 1 1 12 LYS HD2 H -4.818 14.422 11.490 1.00 . A A . 12 LYS HD2 1 1 12 5076 1 1 12 LYS HD3 H -3.190 13.740 11.526 1.00 . A A . 12 LYS HD3 1 1 12 5077 1 1 12 LYS HE2 H -3.868 16.345 12.863 1.00 . A A . 12 LYS HE2 1 1 12 5078 1 1 12 LYS HE3 H -4.067 14.794 13.677 1.00 . A A . 12 LYS HE3 1 1 12 5079 1 1 12 LYS HG2 H -2.312 15.410 10.214 1.00 . A A . 12 LYS HG2 1 1 12 5080 1 1 12 LYS HG3 H -3.543 16.581 10.693 1.00 . A A . 12 LYS HG3 1 1 12 5081 1 1 12 LYS HZ1 H -1.690 16.295 13.213 1.00 . A A . 12 LYS HZ1 1 1 12 5082 1 1 12 LYS HZ2 H -1.540 14.717 12.622 1.00 . A A . 12 LYS HZ2 1 1 12 5083 1 1 12 LYS HZ3 H -1.943 14.977 14.243 1.00 . A A . 12 LYS HZ3 1 1 12 5084 1 1 12 LYS N N -2.545 16.584 7.899 1.00 . A A . 12 LYS N 1 1 12 5085 1 1 12 LYS NZ N -2.071 15.329 13.273 1.00 . A A . 12 LYS NZ 1 1 12 5086 1 1 12 LYS O O -4.285 18.510 8.810 1.00 . A A . 12 LYS O 1 1 12 5087 1 1 13 PRO C C -7.293 18.804 9.676 1.00 . A A . 13 PRO C 1 1 12 5088 1 1 13 PRO CA C -7.012 18.552 8.199 1.00 . A A . 13 PRO CA 1 1 12 5089 1 1 13 PRO CB C -8.286 18.096 7.482 1.00 . A A . 13 PRO CB 1 1 12 5090 1 1 13 PRO CD C -6.752 16.264 7.395 1.00 . A A . 13 PRO CD 1 1 12 5091 1 1 13 PRO CG C -8.213 16.608 7.491 1.00 . A A . 13 PRO CG 1 1 12 5092 1 1 13 PRO HA H -6.647 19.461 7.743 1.00 . A A . 13 PRO HA 1 1 12 5093 1 1 13 PRO HB2 H -9.152 18.453 8.021 1.00 . A A . 13 PRO HB2 1 1 12 5094 1 1 13 PRO HB3 H -8.295 18.484 6.475 1.00 . A A . 13 PRO HB3 1 1 12 5095 1 1 13 PRO HD2 H -6.537 15.369 7.960 1.00 . A A . 13 PRO HD2 1 1 12 5096 1 1 13 PRO HD3 H -6.461 16.139 6.362 1.00 . A A . 13 PRO HD3 1 1 12 5097 1 1 13 PRO HG2 H -8.628 16.225 8.411 1.00 . A A . 13 PRO HG2 1 1 12 5098 1 1 13 PRO HG3 H -8.748 16.209 6.642 1.00 . A A . 13 PRO HG3 1 1 12 5099 1 1 13 PRO N N -6.086 17.435 7.990 1.00 . A A . 13 PRO N 1 1 12 5100 1 1 13 PRO O O -7.290 17.876 10.486 1.00 . A A . 13 PRO O 1 1 12 5101 1 1 14 LEU C C -9.086 19.750 11.903 1.00 . A A . 14 LEU C 1 1 12 5102 1 1 14 LEU CA C -7.820 20.437 11.402 1.00 . A A . 14 LEU CA 1 1 12 5103 1 1 14 LEU CB C -7.970 21.955 11.519 1.00 . A A . 14 LEU CB 1 1 12 5104 1 1 14 LEU CD1 C -6.057 23.082 12.684 1.00 . A A . 14 LEU CD1 1 1 12 5105 1 1 14 LEU CD2 C -8.410 23.708 13.257 1.00 . A A . 14 LEU CD2 1 1 12 5106 1 1 14 LEU CG C -7.485 22.578 12.829 1.00 . A A . 14 LEU CG 1 1 12 5107 1 1 14 LEU H H -7.525 20.759 9.331 1.00 . A A . 14 LEU H 1 1 12 5108 1 1 14 LEU HA H -6.987 20.118 12.010 1.00 . A A . 14 LEU HA 1 1 12 5109 1 1 14 LEU HB2 H -7.412 22.406 10.713 1.00 . A A . 14 LEU HB2 1 1 12 5110 1 1 14 LEU HB3 H -9.018 22.193 11.407 1.00 . A A . 14 LEU HB3 1 1 12 5111 1 1 14 LEU HD11 H -6.004 24.111 13.006 1.00 . A A . 14 LEU HD11 1 1 12 5112 1 1 14 LEU HD12 H -5.755 23.013 11.649 1.00 . A A . 14 LEU HD12 1 1 12 5113 1 1 14 LEU HD13 H -5.399 22.479 13.292 1.00 . A A . 14 LEU HD13 1 1 12 5114 1 1 14 LEU HD21 H -9.394 23.543 12.844 1.00 . A A . 14 LEU HD21 1 1 12 5115 1 1 14 LEU HD22 H -8.020 24.648 12.896 1.00 . A A . 14 LEU HD22 1 1 12 5116 1 1 14 LEU HD23 H -8.471 23.733 14.336 1.00 . A A . 14 LEU HD23 1 1 12 5117 1 1 14 LEU HG H -7.495 21.824 13.604 1.00 . A A . 14 LEU HG 1 1 12 5118 1 1 14 LEU N N -7.536 20.063 10.021 1.00 . A A . 14 LEU N 1 1 12 5119 1 1 14 LEU O O -9.558 18.783 11.306 1.00 . A A . 14 LEU O 1 1 12 5120 1 1 15 GLY C C -10.726 19.435 15.057 1.00 . A A . 15 GLY C 1 1 12 5121 1 1 15 GLY CA C -10.841 19.681 13.566 1.00 . A A . 15 GLY CA 1 1 12 5122 1 1 15 GLY H H -9.213 21.030 13.438 1.00 . A A . 15 GLY H 1 1 12 5123 1 1 15 GLY HA2 H -11.666 20.354 13.384 1.00 . A A . 15 GLY HA2 1 1 12 5124 1 1 15 GLY HA3 H -11.040 18.741 13.072 1.00 . A A . 15 GLY HA3 1 1 12 5125 1 1 15 GLY N N -9.633 20.257 13.004 1.00 . A A . 15 GLY N 1 1 12 5126 1 1 15 GLY O O -11.581 18.780 15.652 1.00 . A A . 15 GLY O 1 1 12 5127 1 1 16 ASN C C -8.529 20.890 17.633 1.00 . A A . 16 ASN C 1 1 12 5128 1 1 16 ASN CA C -9.442 19.793 17.093 1.00 . A A . 16 ASN CA 1 1 12 5129 1 1 16 ASN CB C -8.830 18.419 17.377 1.00 . A A . 16 ASN CB 1 1 12 5130 1 1 16 ASN CG C -8.755 18.115 18.861 1.00 . A A . 16 ASN CG 1 1 12 5131 1 1 16 ASN H H -9.019 20.473 15.134 1.00 . A A . 16 ASN H 1 1 12 5132 1 1 16 ASN HA H -10.398 19.861 17.589 1.00 . A A . 16 ASN HA 1 1 12 5133 1 1 16 ASN HB2 H -9.434 17.659 16.904 1.00 . A A . 16 ASN HB2 1 1 12 5134 1 1 16 ASN HB3 H -7.831 18.385 16.970 1.00 . A A . 16 ASN HB3 1 1 12 5135 1 1 16 ASN HD21 H -10.495 17.155 18.777 1.00 . A A . 16 ASN HD21 1 1 12 5136 1 1 16 ASN HD22 H -9.744 17.216 20.332 1.00 . A A . 16 ASN HD22 1 1 12 5137 1 1 16 ASN N N -9.666 19.961 15.662 1.00 . A A . 16 ASN N 1 1 12 5138 1 1 16 ASN ND2 N -9.767 17.426 19.375 1.00 . A A . 16 ASN ND2 1 1 12 5139 1 1 16 ASN O O -7.945 20.752 18.707 1.00 . A A . 16 ASN O 1 1 12 5140 1 1 16 ASN OD1 O -7.799 18.496 19.536 1.00 . A A . 16 ASN OD1 1 1 12 5141 1 1 17 ASN C C -6.207 22.611 17.765 1.00 . A A . 17 ASN C 1 1 12 5142 1 1 17 ASN CA C -7.569 23.099 17.282 1.00 . A A . 17 ASN CA 1 1 12 5143 1 1 17 ASN CB C -8.254 23.907 18.386 1.00 . A A . 17 ASN CB 1 1 12 5144 1 1 17 ASN CG C -7.265 24.472 19.388 1.00 . A A . 17 ASN CG 1 1 12 5145 1 1 17 ASN H H -8.902 22.029 16.033 1.00 . A A . 17 ASN H 1 1 12 5146 1 1 17 ASN HA H -7.427 23.733 16.420 1.00 . A A . 17 ASN HA 1 1 12 5147 1 1 17 ASN HB2 H -8.794 24.730 17.940 1.00 . A A . 17 ASN HB2 1 1 12 5148 1 1 17 ASN HB3 H -8.948 23.270 18.913 1.00 . A A . 17 ASN HB3 1 1 12 5149 1 1 17 ASN HD21 H -8.369 23.794 20.897 1.00 . A A . 17 ASN HD21 1 1 12 5150 1 1 17 ASN HD22 H -6.927 24.637 21.340 1.00 . A A . 17 ASN HD22 1 1 12 5151 1 1 17 ASN N N -8.411 21.978 16.880 1.00 . A A . 17 ASN N 1 1 12 5152 1 1 17 ASN ND2 N -7.549 24.282 20.671 1.00 . A A . 17 ASN ND2 1 1 12 5153 1 1 17 ASN O O -6.054 22.202 18.915 1.00 . A A . 17 ASN O 1 1 12 5154 1 1 17 ASN OD1 O -6.258 25.072 19.011 1.00 . A A . 17 ASN OD1 1 1 12 5155 1 1 18 GLY C C -3.338 21.182 16.264 1.00 . A A . 18 GLY C 1 1 12 5156 1 1 18 GLY CA C -3.882 22.216 17.230 1.00 . A A . 18 GLY CA 1 1 12 5157 1 1 18 GLY H H -5.399 22.992 15.973 1.00 . A A . 18 GLY H 1 1 12 5158 1 1 18 GLY HA2 H -3.223 23.071 17.235 1.00 . A A . 18 GLY HA2 1 1 12 5159 1 1 18 GLY HA3 H -3.907 21.787 18.221 1.00 . A A . 18 GLY HA3 1 1 12 5160 1 1 18 GLY N N -5.219 22.656 16.876 1.00 . A A . 18 GLY N 1 1 12 5161 1 1 18 GLY O O -3.499 19.980 16.475 1.00 . A A . 18 GLY O 1 1 12 5162 1 1 19 TYR C C -1.175 19.751 14.838 1.00 . A A . 19 TYR C 1 1 12 5163 1 1 19 TYR CA C -2.125 20.758 14.198 1.00 . A A . 19 TYR CA 1 1 12 5164 1 1 19 TYR CB C -1.387 21.563 13.127 1.00 . A A . 19 TYR CB 1 1 12 5165 1 1 19 TYR CD1 C -1.901 19.647 11.565 1.00 . A A . 19 TYR CD1 1 1 12 5166 1 1 19 TYR CD2 C -1.136 21.696 10.618 1.00 . A A . 19 TYR CD2 1 1 12 5167 1 1 19 TYR CE1 C -1.983 19.089 10.304 1.00 . A A . 19 TYR CE1 1 1 12 5168 1 1 19 TYR CE2 C -1.216 21.147 9.353 1.00 . A A . 19 TYR CE2 1 1 12 5169 1 1 19 TYR CG C -1.476 20.958 11.745 1.00 . A A . 19 TYR CG 1 1 12 5170 1 1 19 TYR CZ C -1.639 19.843 9.201 1.00 . A A . 19 TYR CZ 1 1 12 5171 1 1 19 TYR H H -2.595 22.619 15.089 1.00 . A A . 19 TYR H 1 1 12 5172 1 1 19 TYR HA H -2.940 20.222 13.733 1.00 . A A . 19 TYR HA 1 1 12 5173 1 1 19 TYR HB2 H -1.807 22.557 13.081 1.00 . A A . 19 TYR HB2 1 1 12 5174 1 1 19 TYR HB3 H -0.343 21.631 13.394 1.00 . A A . 19 TYR HB3 1 1 12 5175 1 1 19 TYR HD1 H -2.169 19.059 12.431 1.00 . A A . 19 TYR HD1 1 1 12 5176 1 1 19 TYR HD2 H -0.804 22.717 10.740 1.00 . A A . 19 TYR HD2 1 1 12 5177 1 1 19 TYR HE1 H -2.315 18.069 10.184 1.00 . A A . 19 TYR HE1 1 1 12 5178 1 1 19 TYR HE2 H -0.947 21.737 8.489 1.00 . A A . 19 TYR HE2 1 1 12 5179 1 1 19 TYR HH H -1.184 19.804 7.334 1.00 . A A . 19 TYR HH 1 1 12 5180 1 1 19 TYR N N -2.692 21.650 15.202 1.00 . A A . 19 TYR N 1 1 12 5181 1 1 19 TYR O O -1.185 19.556 16.054 1.00 . A A . 19 TYR O 1 1 12 5182 1 1 19 TYR OH O -1.721 19.292 7.943 1.00 . A A . 19 TYR OH 1 1 12 5183 1 1 20 LEU C C 1.543 17.684 13.375 1.00 . A A . 20 LEU C 1 1 12 5184 1 1 20 LEU CA C 0.606 18.127 14.494 1.00 . A A . 20 LEU CA 1 1 12 5185 1 1 20 LEU CB C -0.127 16.915 15.070 1.00 . A A . 20 LEU CB 1 1 12 5186 1 1 20 LEU CD1 C -0.466 15.238 16.903 1.00 . A A . 20 LEU CD1 1 1 12 5187 1 1 20 LEU CD2 C 1.770 16.316 16.596 1.00 . A A . 20 LEU CD2 1 1 12 5188 1 1 20 LEU CG C 0.264 16.507 16.491 1.00 . A A . 20 LEU CG 1 1 12 5189 1 1 20 LEU H H -0.391 19.312 13.052 1.00 . A A . 20 LEU H 1 1 12 5190 1 1 20 LEU HA H 1.191 18.589 15.275 1.00 . A A . 20 LEU HA 1 1 12 5191 1 1 20 LEU HB2 H -1.183 17.135 15.069 1.00 . A A . 20 LEU HB2 1 1 12 5192 1 1 20 LEU HB3 H 0.064 16.073 14.419 1.00 . A A . 20 LEU HB3 1 1 12 5193 1 1 20 LEU HD11 H 0.208 14.398 16.837 1.00 . A A . 20 LEU HD11 1 1 12 5194 1 1 20 LEU HD12 H -1.307 15.077 16.244 1.00 . A A . 20 LEU HD12 1 1 12 5195 1 1 20 LEU HD13 H -0.819 15.339 17.919 1.00 . A A . 20 LEU HD13 1 1 12 5196 1 1 20 LEU HD21 H 2.075 15.504 15.954 1.00 . A A . 20 LEU HD21 1 1 12 5197 1 1 20 LEU HD22 H 2.033 16.086 17.618 1.00 . A A . 20 LEU HD22 1 1 12 5198 1 1 20 LEU HD23 H 2.270 17.224 16.292 1.00 . A A . 20 LEU HD23 1 1 12 5199 1 1 20 LEU HG H -0.023 17.293 17.176 1.00 . A A . 20 LEU HG 1 1 12 5200 1 1 20 LEU N N -0.353 19.114 14.011 1.00 . A A . 20 LEU N 1 1 12 5201 1 1 20 LEU O O 2.044 16.560 13.378 1.00 . A A . 20 LEU O 1 1 12 5202 1 1 21 CYS C C 4.110 18.585 11.643 1.00 . A A . 21 CYS C 1 1 12 5203 1 1 21 CYS CA C 2.656 18.281 11.294 1.00 . A A . 21 CYS CA 1 1 12 5204 1 1 21 CYS CB C 2.235 19.089 10.065 1.00 . A A . 21 CYS CB 1 1 12 5205 1 1 21 CYS H H 1.349 19.458 12.471 1.00 . A A . 21 CYS H 1 1 12 5206 1 1 21 CYS HA H 2.565 17.229 11.070 1.00 . A A . 21 CYS HA 1 1 12 5207 1 1 21 CYS HB2 H 1.455 19.780 10.348 1.00 . A A . 21 CYS HB2 1 1 12 5208 1 1 21 CYS HB3 H 3.087 19.645 9.700 1.00 . A A . 21 CYS HB3 1 1 12 5209 1 1 21 CYS N N 1.778 18.577 12.419 1.00 . A A . 21 CYS N 1 1 12 5210 1 1 21 CYS O O 4.454 18.751 12.814 1.00 . A A . 21 CYS O 1 1 12 5211 1 1 21 CYS SG S 1.603 18.076 8.689 1.00 . A A . 21 CYS SG 1 1 12 5212 1 1 22 . C C 7.085 17.708 11.355 1.00 . A A . 22 DBB C 1 1 12 5213 1 1 22 . CA C 6.366 18.931 10.817 1.00 . A A . 22 DBB CA 1 1 12 5214 1 1 22 . CB C 7.024 19.377 9.495 1.00 . A A . 22 DBB CB 1 1 12 5215 1 1 22 . CG C 6.139 20.437 8.840 1.00 . A A . 22 DBB CG 1 1 12 5216 1 1 22 . H H 4.610 18.513 9.710 1.00 . A A . 22 DBB H 1 1 12 5217 1 1 22 . HA H 6.459 19.735 11.531 1.00 . A A . 22 DBB HA 1 1 12 5218 1 1 22 . HB3 H 7.045 18.510 8.844 1.00 . A A . 22 DBB HB3 1 1 12 5219 1 1 22 . HG1 H 6.736 21.041 8.176 1.00 . A A . 22 DBB HG1 1 1 12 5220 1 1 22 . HG2 H 5.698 21.060 9.602 1.00 . A A . 22 DBB HG2 1 1 12 5221 1 1 22 . HG3 H 5.359 19.946 8.275 1.00 . A A . 22 DBB HG3 1 1 12 5222 1 1 22 . N N 4.952 18.656 10.626 1.00 . A A . 22 DBB N 1 1 12 5223 1 1 22 . O O 7.915 17.813 12.258 1.00 . A A . 22 DBB O 1 1 12 5224 1 1 23 VAL C C 7.848 14.469 10.071 1.00 . A A . 23 VAL C 1 1 12 5225 1 1 23 VAL CA C 7.354 15.291 11.256 1.00 . A A . 23 VAL CA 1 1 12 5226 1 1 23 VAL CB C 6.359 14.446 12.074 1.00 . A A . 23 VAL CB 1 1 12 5227 1 1 23 VAL CG1 C 7.088 13.346 12.831 1.00 . A A . 23 VAL CG1 1 1 12 5228 1 1 23 VAL CG2 C 5.569 15.328 13.028 1.00 . A A . 23 VAL CG2 1 1 12 5229 1 1 23 VAL H H 6.081 16.522 10.097 1.00 . A A . 23 VAL H 1 1 12 5230 1 1 23 VAL HA H 8.195 15.532 11.890 1.00 . A A . 23 VAL HA 1 1 12 5231 1 1 23 VAL HB H 5.665 13.981 11.389 1.00 . A A . 23 VAL HB 1 1 12 5232 1 1 23 VAL HG11 H 7.481 13.746 13.755 1.00 . A A . 23 VAL HG11 1 1 12 5233 1 1 23 VAL HG12 H 6.401 12.542 13.049 1.00 . A A . 23 VAL HG12 1 1 12 5234 1 1 23 VAL HG13 H 7.902 12.972 12.227 1.00 . A A . 23 VAL HG13 1 1 12 5235 1 1 23 VAL HG21 H 4.845 15.904 12.471 1.00 . A A . 23 VAL HG21 1 1 12 5236 1 1 23 VAL HG22 H 5.058 14.709 13.750 1.00 . A A . 23 VAL HG22 1 1 12 5237 1 1 23 VAL HG23 H 6.244 15.998 13.541 1.00 . A A . 23 VAL HG23 1 1 12 5238 1 1 23 VAL N N 6.750 16.542 10.813 1.00 . A A . 23 VAL N 1 1 12 5239 1 1 23 VAL O O 7.233 14.471 9.004 1.00 . A A . 23 VAL O 1 1 12 5240 1 1 24 . C C 10.288 13.811 8.216 1.00 . A A . 24 DBB C 1 1 12 5241 1 1 24 . CA C 9.541 12.952 9.218 1.00 . A A . 24 DBB CA 1 1 12 5242 1 1 24 . CB C 10.500 11.900 9.814 1.00 . A A . 24 DBB CB 1 1 12 5243 1 1 24 . CG C 10.039 11.564 11.232 1.00 . A A . 24 DBB CG 1 1 12 5244 1 1 24 . H H 9.400 13.815 11.146 1.00 . A A . 24 DBB H 1 1 12 5245 1 1 24 . HA H 8.742 12.434 8.710 1.00 . A A . 24 DBB HA 1 1 12 5246 1 1 24 . HB3 H 11.477 12.365 9.881 1.00 . A A . 24 DBB HB3 1 1 12 5247 1 1 24 . HG1 H 10.459 10.617 11.530 1.00 . A A . 24 DBB HG1 1 1 12 5248 1 1 24 . HG2 H 8.962 11.509 11.257 1.00 . A A . 24 DBB HG2 1 1 12 5249 1 1 24 . HG3 H 10.380 12.337 11.907 1.00 . A A . 24 DBB HG3 1 1 12 5250 1 1 24 . N N 8.955 13.772 10.266 1.00 . A A . 24 DBB N 1 1 12 5251 1 1 24 . O O 10.312 15.037 8.331 1.00 . A A . 24 DBB O 1 1 12 5252 1 1 25 LYS C C 11.197 15.311 6.075 1.00 . A A . 25 LYS C 1 1 12 5253 1 1 25 LYS CA C 11.687 13.874 6.224 1.00 . A A . 25 LYS CA 1 1 12 5254 1 1 25 LYS CB C 11.588 13.148 4.881 1.00 . A A . 25 LYS CB 1 1 12 5255 1 1 25 LYS CD C 12.697 11.271 3.632 1.00 . A A . 25 LYS CD 1 1 12 5256 1 1 25 LYS CE C 13.646 11.173 2.448 1.00 . A A . 25 LYS CE 1 1 12 5257 1 1 25 LYS CG C 12.907 12.560 4.409 1.00 . A A . 25 LYS CG 1 1 12 5258 1 1 25 LYS H H 10.861 12.187 7.200 1.00 . A A . 25 LYS H 1 1 12 5259 1 1 25 LYS HA H 12.719 13.890 6.541 1.00 . A A . 25 LYS HA 1 1 12 5260 1 1 25 LYS HB2 H 10.871 12.345 4.971 1.00 . A A . 25 LYS HB2 1 1 12 5261 1 1 25 LYS HB3 H 11.242 13.846 4.132 1.00 . A A . 25 LYS HB3 1 1 12 5262 1 1 25 LYS HD2 H 12.871 10.432 4.289 1.00 . A A . 25 LYS HD2 1 1 12 5263 1 1 25 LYS HD3 H 11.678 11.242 3.270 1.00 . A A . 25 LYS HD3 1 1 12 5264 1 1 25 LYS HE2 H 13.237 11.743 1.628 1.00 . A A . 25 LYS HE2 1 1 12 5265 1 1 25 LYS HE3 H 14.601 11.588 2.734 1.00 . A A . 25 LYS HE3 1 1 12 5266 1 1 25 LYS HG2 H 13.403 13.276 3.771 1.00 . A A . 25 LYS HG2 1 1 12 5267 1 1 25 LYS HG3 H 13.527 12.353 5.270 1.00 . A A . 25 LYS HG3 1 1 12 5268 1 1 25 LYS HZ1 H 14.563 9.719 1.261 1.00 . A A . 25 LYS HZ1 1 1 12 5269 1 1 25 LYS HZ2 H 12.949 9.377 1.640 1.00 . A A . 25 LYS HZ2 1 1 12 5270 1 1 25 LYS HZ3 H 14.153 9.180 2.811 1.00 . A A . 25 LYS HZ3 1 1 12 5271 1 1 25 LYS N N 10.917 13.165 7.240 1.00 . A A . 25 LYS N 1 1 12 5272 1 1 25 LYS NZ N 13.842 9.763 2.009 1.00 . A A . 25 LYS NZ 1 1 12 5273 1 1 25 LYS O O 11.986 16.222 5.826 1.00 . A A . 25 LYS O 1 1 12 5274 1 1 26 GLU C C 10.055 17.845 6.965 1.00 . A A . 26 GLU C 1 1 12 5275 1 1 26 GLU CA C 9.297 16.832 6.111 1.00 . A A . 26 GLU CA 1 1 12 5276 1 1 26 GLU CB C 7.826 16.796 6.528 1.00 . A A . 26 GLU CB 1 1 12 5277 1 1 26 GLU CD C 5.609 15.625 6.220 1.00 . A A . 26 GLU CD 1 1 12 5278 1 1 26 GLU CG C 7.119 15.504 6.154 1.00 . A A . 26 GLU CG 1 1 12 5279 1 1 26 GLU H H 9.313 14.739 6.426 1.00 . A A . 26 GLU H 1 1 12 5280 1 1 26 GLU HA H 9.361 17.133 5.076 1.00 . A A . 26 GLU HA 1 1 12 5281 1 1 26 GLU HB2 H 7.765 16.919 7.600 1.00 . A A . 26 GLU HB2 1 1 12 5282 1 1 26 GLU HB3 H 7.309 17.616 6.051 1.00 . A A . 26 GLU HB3 1 1 12 5283 1 1 26 GLU HG2 H 7.399 15.234 5.147 1.00 . A A . 26 GLU HG2 1 1 12 5284 1 1 26 GLU HG3 H 7.433 14.726 6.834 1.00 . A A . 26 GLU HG3 1 1 12 5285 1 1 26 GLU N N 9.891 15.505 6.229 1.00 . A A . 26 GLU N 1 1 12 5286 1 1 26 GLU O O 10.411 18.926 6.497 1.00 . A A . 26 GLU O 1 1 12 5287 1 1 26 GLU OE1 O 5.110 16.331 7.122 1.00 . A A . 26 GLU OE1 1 1 12 5288 1 1 26 GLU OE2 O 4.926 15.016 5.371 1.00 . A A . 26 GLU OE2 1 1 12 5289 1 1 27 CYS C C 12.217 17.649 9.747 1.00 . A A . 27 CYS C 1 1 12 5290 1 1 27 CYS CA C 11.011 18.362 9.143 1.00 . A A . 27 CYS CA 1 1 12 5291 1 1 27 CYS CB C 10.075 18.836 10.257 1.00 . A A . 27 CYS CB 1 1 12 5292 1 1 27 CYS H H 9.988 16.610 8.538 1.00 . A A . 27 CYS H 1 1 12 5293 1 1 27 CYS HA H 11.357 19.219 8.586 1.00 . A A . 27 CYS HA 1 1 12 5294 1 1 27 CYS HB2 H 9.612 17.976 10.719 1.00 . A A . 27 CYS HB2 1 1 12 5295 1 1 27 CYS HB3 H 10.651 19.370 10.998 1.00 . A A . 27 CYS HB3 1 1 12 5296 1 1 27 CYS N N 10.297 17.486 8.222 1.00 . A A . 27 CYS N 1 1 12 5297 1 1 27 CYS O O 13.090 18.280 10.342 1.00 . A A . 27 CYS O 1 1 12 5298 1 1 27 CYS SG S 8.743 19.941 9.688 1.00 . A A . 27 CYS SG 1 1 12 5299 1 1 28 MET C C 13.950 14.637 9.033 1.00 . A A . 28 MET C 1 1 12 5300 1 1 28 MET CA C 13.357 15.531 10.118 1.00 . A A . 28 MET CA 1 1 12 5301 1 1 28 MET CB C 12.877 14.677 11.293 1.00 . A A . 28 MET CB 1 1 12 5302 1 1 28 MET CE C 13.312 16.162 14.160 1.00 . A A . 28 MET CE 1 1 12 5303 1 1 28 MET CG C 11.722 15.296 12.062 1.00 . A A . 28 MET CG 1 1 12 5304 1 1 28 MET H H 11.532 15.882 9.106 1.00 . A A . 28 MET H 1 1 12 5305 1 1 28 MET HA H 14.122 16.209 10.466 1.00 . A A . 28 MET HA 1 1 12 5306 1 1 28 MET HB2 H 12.557 13.716 10.918 1.00 . A A . 28 MET HB2 1 1 12 5307 1 1 28 MET HB3 H 13.700 14.531 11.977 1.00 . A A . 28 MET HB3 1 1 12 5308 1 1 28 MET HE1 H 12.751 15.602 14.895 1.00 . A A . 28 MET HE1 1 1 12 5309 1 1 28 MET HE2 H 14.034 15.513 13.688 1.00 . A A . 28 MET HE2 1 1 12 5310 1 1 28 MET HE3 H 13.825 16.980 14.645 1.00 . A A . 28 MET HE3 1 1 12 5311 1 1 28 MET HG2 H 10.926 15.526 11.369 1.00 . A A . 28 MET HG2 1 1 12 5312 1 1 28 MET HG3 H 11.367 14.581 12.789 1.00 . A A . 28 MET HG3 1 1 12 5313 1 1 28 MET N N 12.258 16.330 9.589 1.00 . A A . 28 MET N 1 1 12 5314 1 1 28 MET O O 13.304 13.715 8.534 1.00 . A A . 28 MET O 1 1 12 5315 1 1 28 MET SD S 12.192 16.810 12.922 1.00 . A A . 28 MET SD 1 1 12 5316 1 1 29 PRO C C 16.259 12.735 8.093 1.00 . A A . 29 PRO C 1 1 12 5317 1 1 29 PRO CA C 15.914 14.145 7.629 1.00 . A A . 29 PRO CA 1 1 12 5318 1 1 29 PRO CB C 17.190 14.958 7.393 1.00 . A A . 29 PRO CB 1 1 12 5319 1 1 29 PRO CD C 16.037 15.998 9.210 1.00 . A A . 29 PRO CD 1 1 12 5320 1 1 29 PRO CG C 17.407 15.701 8.666 1.00 . A A . 29 PRO CG 1 1 12 5321 1 1 29 PRO HA H 15.345 14.092 6.713 1.00 . A A . 29 PRO HA 1 1 12 5322 1 1 29 PRO HB2 H 18.012 14.289 7.180 1.00 . A A . 29 PRO HB2 1 1 12 5323 1 1 29 PRO HB3 H 17.043 15.632 6.563 1.00 . A A . 29 PRO HB3 1 1 12 5324 1 1 29 PRO HD2 H 16.045 15.966 10.290 1.00 . A A . 29 PRO HD2 1 1 12 5325 1 1 29 PRO HD3 H 15.693 16.961 8.862 1.00 . A A . 29 PRO HD3 1 1 12 5326 1 1 29 PRO HG2 H 17.961 15.087 9.360 1.00 . A A . 29 PRO HG2 1 1 12 5327 1 1 29 PRO HG3 H 17.938 16.620 8.468 1.00 . A A . 29 PRO HG3 1 1 12 5328 1 1 29 PRO N N 15.208 14.914 8.658 1.00 . A A . 29 PRO N 1 1 12 5329 1 1 29 PRO O O 16.629 11.879 7.289 1.00 . A A . 29 PRO O 1 1 12 5330 1 1 30 SER C C 15.288 10.217 9.733 1.00 . A A . 30 SER C 1 1 12 5331 1 1 30 SER CA C 16.438 11.192 9.968 1.00 . A A . 30 SER CA 1 1 12 5332 1 1 30 SER CB C 16.716 11.319 11.467 1.00 . A A . 30 SER CB 1 1 12 5333 1 1 30 SER H H 15.837 13.222 9.986 1.00 . A A . 30 SER H 1 1 12 5334 1 1 30 SER HA H 17.322 10.812 9.477 1.00 . A A . 30 SER HA 1 1 12 5335 1 1 30 SER HB2 H 17.208 12.260 11.660 1.00 . A A . 30 SER HB2 1 1 12 5336 1 1 30 SER HB3 H 15.782 11.283 12.007 1.00 . A A . 30 SER HB3 1 1 12 5337 1 1 30 SER HG H 18.303 10.179 11.336 1.00 . A A . 30 SER HG 1 1 12 5338 1 1 30 SER N N 16.136 12.498 9.396 1.00 . A A . 30 SER N 1 1 12 5339 1 1 30 SER O O 15.082 9.283 10.509 1.00 . A A . 30 SER O 1 1 12 5340 1 1 30 SER OG O 17.549 10.267 11.922 1.00 . A A . 30 SER OG 1 1 12 5341 1 1 31 CYS C C 13.822 8.516 7.310 1.00 . A A . 31 CYS C 1 1 12 5342 1 1 31 CYS CA C 13.411 9.584 8.319 1.00 . A A . 31 CYS CA 1 1 12 5343 1 1 31 CYS CB C 12.262 10.421 7.753 1.00 . A A . 31 CYS CB 1 1 12 5344 1 1 31 CYS H H 14.755 11.201 8.076 1.00 . A A . 31 CYS H 1 1 12 5345 1 1 31 CYS HA H 13.080 9.098 9.224 1.00 . A A . 31 CYS HA 1 1 12 5346 1 1 31 CYS HB2 H 12.578 11.451 7.681 1.00 . A A . 31 CYS HB2 1 1 12 5347 1 1 31 CYS HB3 H 12.012 10.056 6.768 1.00 . A A . 31 CYS HB3 1 1 12 5348 1 1 31 CYS N N 14.541 10.441 8.657 1.00 . A A . 31 CYS N 1 1 12 5349 1 1 31 CYS O O 14.095 8.817 6.148 1.00 . A A . 31 CYS O 1 1 12 5350 1 1 31 CYS SG S 10.745 10.378 8.761 1.00 . A A . 31 CYS SG 1 1 12 5351 1 1 32 ASN C C 13.004 5.460 6.334 1.00 . A A . 32 ASN C 1 1 12 5352 1 1 32 ASN CA C 14.240 6.153 6.899 1.00 . A A . 32 ASN CA 1 1 12 5353 1 1 32 ASN CB C 15.093 5.147 7.674 1.00 . A A . 32 ASN CB 1 1 12 5354 1 1 32 ASN CG C 14.394 4.634 8.919 1.00 . A A . 32 ASN CG 1 1 12 5355 1 1 32 ASN H H 13.634 7.089 8.698 1.00 . A A . 32 ASN H 1 1 12 5356 1 1 32 ASN HA H 14.821 6.550 6.081 1.00 . A A . 32 ASN HA 1 1 12 5357 1 1 32 ASN HB2 H 15.312 4.303 7.035 1.00 . A A . 32 ASN HB2 1 1 12 5358 1 1 32 ASN HB3 H 16.017 5.619 7.970 1.00 . A A . 32 ASN HB3 1 1 12 5359 1 1 32 ASN HD21 H 15.541 5.785 10.066 1.00 . A A . 32 ASN HD21 1 1 12 5360 1 1 32 ASN HD22 H 14.380 4.813 10.899 1.00 . A A . 32 ASN HD22 1 1 12 5361 1 1 32 ASN N N 13.862 7.267 7.762 1.00 . A A . 32 ASN N 1 1 12 5362 1 1 32 ASN ND2 N 14.814 5.127 10.078 1.00 . A A . 32 ASN ND2 1 1 12 5363 1 1 32 ASN O O 12.229 6.061 5.590 1.00 . A A . 32 ASN O 1 1 12 5364 1 1 32 ASN OD1 O 13.488 3.805 8.839 1.00 . A A . 32 ASN OD1 1 1 13 5365 1 1 1 2KT C1 C 0.505 3.457 20.108 1.00 . A A . 1 2KT C1 1 1 13 5366 1 1 1 2KT C2 C 0.208 2.255 19.598 1.00 . A A . 1 2KT C2 1 1 13 5367 1 1 1 2KT C3 C -0.989 1.825 19.635 1.00 . A A . 1 2KT C3 1 1 13 5368 1 1 1 2KT C4 C -1.205 0.941 20.548 1.00 . A A . 1 2KT C4 1 1 13 5369 1 1 1 2KT H31 H -1.352 1.291 18.871 1.00 . A A . 1 2KT H31 1 1 13 5370 1 1 1 2KT H32 H -1.749 2.470 19.710 1.00 . A A . 1 2KT H32 1 1 13 5371 1 1 1 2KT H41 H -1.083 1.178 21.512 1.00 . A A . 1 2KT H41 1 1 13 5372 1 1 1 2KT H42 H -2.109 0.523 20.636 1.00 . A A . 1 2KT H42 1 1 13 5373 1 1 1 2KT H43 H -0.673 0.094 20.560 1.00 . A A . 1 2KT H43 1 1 13 5374 1 1 1 2KT O1 O -0.403 4.099 20.638 1.00 . A A . 1 2KT O1 1 1 13 5375 1 1 1 2KT O3 O 1.116 1.586 19.098 1.00 . A A . 1 2KT O3 1 1 13 5376 1 1 2 ILE C C 1.639 6.336 19.663 1.00 . A A . 2 ILE C 1 1 13 5377 1 1 2 ILE CA C 2.136 5.205 20.558 1.00 . A A . 2 ILE CA 1 1 13 5378 1 1 2 ILE CB C 3.664 5.322 20.713 1.00 . A A . 2 ILE CB 1 1 13 5379 1 1 2 ILE CD1 C 4.654 3.055 20.116 1.00 . A A . 2 ILE CD1 1 1 13 5380 1 1 2 ILE CG1 C 4.249 4.003 21.223 1.00 . A A . 2 ILE CG1 1 1 13 5381 1 1 2 ILE CG2 C 4.014 6.463 21.657 1.00 . A A . 2 ILE CG2 1 1 13 5382 1 1 2 ILE H H 2.432 3.347 19.590 1.00 . A A . 2 ILE H 1 1 13 5383 1 1 2 ILE HA H 1.685 5.309 21.534 1.00 . A A . 2 ILE HA 1 1 13 5384 1 1 2 ILE HB H 4.086 5.545 19.745 1.00 . A A . 2 ILE HB 1 1 13 5385 1 1 2 ILE HD11 H 3.980 2.210 20.102 1.00 . A A . 2 ILE HD11 1 1 13 5386 1 1 2 ILE HD12 H 4.607 3.568 19.167 1.00 . A A . 2 ILE HD12 1 1 13 5387 1 1 2 ILE HD13 H 5.661 2.708 20.289 1.00 . A A . 2 ILE HD13 1 1 13 5388 1 1 2 ILE HG12 H 5.124 4.211 21.818 1.00 . A A . 2 ILE HG12 1 1 13 5389 1 1 2 ILE HG13 H 3.512 3.504 21.835 1.00 . A A . 2 ILE HG13 1 1 13 5390 1 1 2 ILE HG21 H 4.375 7.305 21.085 1.00 . A A . 2 ILE HG21 1 1 13 5391 1 1 2 ILE HG22 H 3.134 6.755 22.210 1.00 . A A . 2 ILE HG22 1 1 13 5392 1 1 2 ILE HG23 H 4.781 6.139 22.344 1.00 . A A . 2 ILE HG23 1 1 13 5393 1 1 2 ILE N N 1.753 3.905 20.023 1.00 . A A . 2 ILE N 1 1 13 5394 1 1 2 ILE O O 1.870 6.327 18.453 1.00 . A A . 2 ILE O 1 1 13 5395 1 1 3 . C C -1.000 8.727 19.954 1.00 . A A . 3 DBB C 1 1 13 5396 1 1 3 . CA C 0.427 8.434 19.528 1.00 . A A . 3 DBB CA 1 1 13 5397 1 1 3 . CB C 1.298 9.690 19.741 1.00 . A A . 3 DBB CB 1 1 13 5398 1 1 3 . CG C 2.745 9.347 19.390 1.00 . A A . 3 DBB CG 1 1 13 5399 1 1 3 . H H 0.812 7.246 21.237 1.00 . A A . 3 DBB H 1 1 13 5400 1 1 3 . HA H 0.435 8.189 18.477 1.00 . A A . 3 DBB HA 1 1 13 5401 1 1 3 . HB3 H 1.257 9.928 20.798 1.00 . A A . 3 DBB HB3 1 1 13 5402 1 1 3 . HG1 H 3.071 8.513 19.990 1.00 . A A . 3 DBB HG1 1 1 13 5403 1 1 3 . HG2 H 3.375 10.202 19.584 1.00 . A A . 3 DBB HG2 1 1 13 5404 1 1 3 . HG3 H 2.802 9.083 18.344 1.00 . A A . 3 DBB HG3 1 1 13 5405 1 1 3 . N N 0.962 7.300 20.263 1.00 . A A . 3 DBB N 1 1 13 5406 1 1 3 . O O -1.357 9.879 20.207 1.00 . A A . 3 DBB O 1 1 13 5407 1 1 4 LEU C C -3.403 9.004 21.358 1.00 . A A . 4 LEU C 1 1 13 5408 1 1 4 LEU CA C -3.223 7.838 20.392 1.00 . A A . 4 LEU CA 1 1 13 5409 1 1 4 LEU CB C -3.744 6.548 21.028 1.00 . A A . 4 LEU CB 1 1 13 5410 1 1 4 LEU CD1 C -3.215 4.625 19.509 1.00 . A A . 4 LEU CD1 1 1 13 5411 1 1 4 LEU CD2 C -5.381 4.668 20.761 1.00 . A A . 4 LEU CD2 1 1 13 5412 1 1 4 LEU CG C -4.321 5.510 20.065 1.00 . A A . 4 LEU CG 1 1 13 5413 1 1 4 LEU H H -1.480 6.793 19.803 1.00 . A A . 4 LEU H 1 1 13 5414 1 1 4 LEU HA H -3.787 8.040 19.494 1.00 . A A . 4 LEU HA 1 1 13 5415 1 1 4 LEU HB2 H -2.925 6.087 21.559 1.00 . A A . 4 LEU HB2 1 1 13 5416 1 1 4 LEU HB3 H -4.520 6.817 21.731 1.00 . A A . 4 LEU HB3 1 1 13 5417 1 1 4 LEU HD11 H -3.643 3.890 18.844 1.00 . A A . 4 LEU HD11 1 1 13 5418 1 1 4 LEU HD12 H -2.711 4.125 20.322 1.00 . A A . 4 LEU HD12 1 1 13 5419 1 1 4 LEU HD13 H -2.507 5.234 18.966 1.00 . A A . 4 LEU HD13 1 1 13 5420 1 1 4 LEU HD21 H -5.916 4.084 20.026 1.00 . A A . 4 LEU HD21 1 1 13 5421 1 1 4 LEU HD22 H -6.072 5.316 21.279 1.00 . A A . 4 LEU HD22 1 1 13 5422 1 1 4 LEU HD23 H -4.906 4.007 21.471 1.00 . A A . 4 LEU HD23 1 1 13 5423 1 1 4 LEU HG H -4.789 6.020 19.234 1.00 . A A . 4 LEU HG 1 1 13 5424 1 1 4 LEU N N -1.822 7.685 20.015 1.00 . A A . 4 LEU N 1 1 13 5425 1 1 4 LEU O O -2.687 9.092 22.361 1.00 . A A . 4 LEU O 1 1 13 5426 1 1 5 DHA C C -4.638 12.263 21.291 1.00 . A A . 5 DHA C 1 1 13 5427 1 1 5 DHA CA C -4.609 10.966 21.849 1.00 . A A . 5 DHA CA 1 1 13 5428 1 1 5 DHA CB C -4.860 10.793 23.152 1.00 . A A . 5 DHA CB 1 1 13 5429 1 1 5 DHA H H -4.855 9.702 20.230 1.00 . A A . 5 DHA H 1 1 13 5430 1 1 5 DHA HB1 H -4.848 9.801 23.579 1.00 . A A . 5 DHA HB1 1 1 13 5431 1 1 5 DHA HB2 H -5.106 11.638 23.769 1.00 . A A . 5 DHA HB2 1 1 13 5432 1 1 5 DHA N N -4.356 9.881 21.050 1.00 . A A . 5 DHA N 1 1 13 5433 1 1 5 DHA O O -5.591 12.640 20.600 1.00 . A A . 5 DHA O 1 1 13 5434 1 1 6 DBU C C -2.295 14.568 20.019 1.00 . A A . 6 DBU C 1 1 13 5435 1 1 6 DBU CA C -3.462 14.236 20.931 1.00 . A A . 6 DBU CA 1 1 13 5436 1 1 6 DBU CB C -4.403 15.160 21.184 1.00 . A A . 6 DBU CB 1 1 13 5437 1 1 6 DBU CG C -5.548 14.805 22.087 1.00 . A A . 6 DBU CG 1 1 13 5438 1 1 6 DBU H1 H -2.848 12.600 22.052 1.00 . A A . 6 DBU H1 1 1 13 5439 1 1 6 DBU HB1 H -4.327 16.145 20.746 1.00 . A A . 6 DBU HB1 1 1 13 5440 1 1 6 DBU HG1 H -5.253 14.003 22.745 1.00 . A A . 6 DBU HG1 1 1 13 5441 1 1 6 DBU HG2 H -6.389 14.484 21.495 1.00 . A A . 6 DBU HG2 1 1 13 5442 1 1 6 DBU HG3 H -5.822 15.674 22.669 1.00 . A A . 6 DBU HG3 1 1 13 5443 1 1 6 DBU N N -3.547 12.994 21.485 1.00 . A A . 6 DBU N 1 1 13 5444 1 1 6 DBU O O -2.224 15.652 19.439 1.00 . A A . 6 DBU O 1 1 13 5445 1 1 7 CYS C C -0.481 13.667 17.623 1.00 . A A . 7 CYS C 1 1 13 5446 1 1 7 CYS CA C -0.162 13.831 19.107 1.00 . A A . 7 CYS CA 1 1 13 5447 1 1 7 CYS CB C 0.930 12.841 19.517 1.00 . A A . 7 CYS CB 1 1 13 5448 1 1 7 CYS H H -1.468 12.789 20.406 1.00 . A A . 7 CYS H 1 1 13 5449 1 1 7 CYS HA H 0.193 14.836 19.277 1.00 . A A . 7 CYS HA 1 1 13 5450 1 1 7 CYS HB2 H 1.887 13.211 19.179 1.00 . A A . 7 CYS HB2 1 1 13 5451 1 1 7 CYS HB3 H 0.943 12.757 20.594 1.00 . A A . 7 CYS HB3 1 1 13 5452 1 1 7 CYS N N -1.356 13.633 19.920 1.00 . A A . 7 CYS N 1 1 13 5453 1 1 7 CYS O O 0.417 13.666 16.782 1.00 . A A . 7 CYS O 1 1 13 5454 1 1 7 CYS SG S 0.712 11.167 18.833 1.00 . A A . 7 CYS SG 1 1 13 5455 1 1 8 ALA C C -3.435 14.216 15.642 1.00 . A A . 8 ALA C 1 1 13 5456 1 1 8 ALA CA C -2.203 13.365 15.931 1.00 . A A . 8 ALA CA 1 1 13 5457 1 1 8 ALA CB C -2.489 11.900 15.637 1.00 . A A . 8 ALA CB 1 1 13 5458 1 1 8 ALA H H -2.434 13.536 18.027 1.00 . A A . 8 ALA H 1 1 13 5459 1 1 8 ALA HA H -1.397 13.686 15.285 1.00 . A A . 8 ALA HA 1 1 13 5460 1 1 8 ALA HB1 H -2.612 11.765 14.572 1.00 . A A . 8 ALA HB1 1 1 13 5461 1 1 8 ALA HB2 H -1.665 11.296 15.984 1.00 . A A . 8 ALA HB2 1 1 13 5462 1 1 8 ALA HB3 H -3.394 11.602 16.145 1.00 . A A . 8 ALA HB3 1 1 13 5463 1 1 8 ALA N N -1.765 13.528 17.312 1.00 . A A . 8 ALA N 1 1 13 5464 1 1 8 ALA O O -3.980 14.181 14.538 1.00 . A A . 8 ALA O 1 1 13 5465 1 1 9 ILE C C -4.629 17.263 16.135 1.00 . A A . 9 ILE C 1 1 13 5466 1 1 9 ILE CA C -5.037 15.837 16.492 1.00 . A A . 9 ILE CA 1 1 13 5467 1 1 9 ILE CB C -5.883 15.865 17.779 1.00 . A A . 9 ILE CB 1 1 13 5468 1 1 9 ILE CD1 C -7.532 13.926 17.800 1.00 . A A . 9 ILE CD1 1 1 13 5469 1 1 9 ILE CG1 C -6.182 14.440 18.249 1.00 . A A . 9 ILE CG1 1 1 13 5470 1 1 9 ILE CG2 C -7.175 16.634 17.547 1.00 . A A . 9 ILE CG2 1 1 13 5471 1 1 9 ILE H H -3.393 14.963 17.496 1.00 . A A . 9 ILE H 1 1 13 5472 1 1 9 ILE HA H -5.646 15.438 15.693 1.00 . A A . 9 ILE HA 1 1 13 5473 1 1 9 ILE HB H -5.319 16.377 18.543 1.00 . A A . 9 ILE HB 1 1 13 5474 1 1 9 ILE HD11 H -7.589 12.861 17.976 1.00 . A A . 9 ILE HD11 1 1 13 5475 1 1 9 ILE HD12 H -8.311 14.424 18.359 1.00 . A A . 9 ILE HD12 1 1 13 5476 1 1 9 ILE HD13 H -7.662 14.124 16.747 1.00 . A A . 9 ILE HD13 1 1 13 5477 1 1 9 ILE HG12 H -5.429 13.773 17.860 1.00 . A A . 9 ILE HG12 1 1 13 5478 1 1 9 ILE HG13 H -6.158 14.412 19.329 1.00 . A A . 9 ILE HG13 1 1 13 5479 1 1 9 ILE HG21 H -7.711 16.196 16.719 1.00 . A A . 9 ILE HG21 1 1 13 5480 1 1 9 ILE HG22 H -7.786 16.586 18.436 1.00 . A A . 9 ILE HG22 1 1 13 5481 1 1 9 ILE HG23 H -6.945 17.665 17.323 1.00 . A A . 9 ILE HG23 1 1 13 5482 1 1 9 ILE N N -3.869 14.978 16.640 1.00 . A A . 9 ILE N 1 1 13 5483 1 1 9 ILE O O -5.181 17.866 15.213 1.00 . A A . 9 ILE O 1 1 13 5484 1 1 10 LEU C C -1.928 19.135 15.749 1.00 . A A . 10 LEU C 1 1 13 5485 1 1 10 LEU CA C -3.174 19.151 16.628 1.00 . A A . 10 LEU CA 1 1 13 5486 1 1 10 LEU CB C -2.868 19.846 17.956 1.00 . A A . 10 LEU CB 1 1 13 5487 1 1 10 LEU CD1 C -4.391 21.821 18.214 1.00 . A A . 10 LEU CD1 1 1 13 5488 1 1 10 LEU CD2 C -2.015 21.968 18.983 1.00 . A A . 10 LEU CD2 1 1 13 5489 1 1 10 LEU CG C -2.962 21.373 17.951 1.00 . A A . 10 LEU CG 1 1 13 5490 1 1 10 LEU H H -3.258 17.267 17.589 1.00 . A A . 10 LEU H 1 1 13 5491 1 1 10 LEU HA H -3.954 19.695 16.117 1.00 . A A . 10 LEU HA 1 1 13 5492 1 1 10 LEU HB2 H -3.564 19.475 18.692 1.00 . A A . 10 LEU HB2 1 1 13 5493 1 1 10 LEU HB3 H -1.862 19.577 18.245 1.00 . A A . 10 LEU HB3 1 1 13 5494 1 1 10 LEU HD11 H -4.834 22.169 17.294 1.00 . A A . 10 LEU HD11 1 1 13 5495 1 1 10 LEU HD12 H -4.389 22.621 18.939 1.00 . A A . 10 LEU HD12 1 1 13 5496 1 1 10 LEU HD13 H -4.964 20.989 18.598 1.00 . A A . 10 LEU HD13 1 1 13 5497 1 1 10 LEU HD21 H -1.000 21.692 18.742 1.00 . A A . 10 LEU HD21 1 1 13 5498 1 1 10 LEU HD22 H -2.269 21.591 19.963 1.00 . A A . 10 LEU HD22 1 1 13 5499 1 1 10 LEU HD23 H -2.108 23.045 18.977 1.00 . A A . 10 LEU HD23 1 1 13 5500 1 1 10 LEU HG H -2.671 21.742 16.977 1.00 . A A . 10 LEU HG 1 1 13 5501 1 1 10 LEU N N -3.659 17.796 16.868 1.00 . A A . 10 LEU N 1 1 13 5502 1 1 10 LEU O O -1.131 20.075 15.761 1.00 . A A . 10 LEU O 1 1 13 5503 1 1 11 DAL C C -0.639 18.980 12.998 1.00 . A A . 11 DAL C 1 1 13 5504 1 1 11 DAL CA C -0.615 17.929 14.107 1.00 . A A . 11 DAL CA 1 1 13 5505 1 1 11 DAL CB C 0.675 18.057 14.910 1.00 . A A . 11 DAL CB 1 1 13 5506 1 1 11 DAL H H -2.431 17.345 15.016 1.00 . A A . 11 DAL H 1 1 13 5507 1 1 11 DAL HA H -0.655 16.946 13.663 1.00 . A A . 11 DAL HA 1 1 13 5508 1 1 11 DAL HB2 H 0.481 17.767 15.931 1.00 . A A . 11 DAL HB2 1 1 13 5509 1 1 11 DAL HB3 H 1.000 19.092 14.891 1.00 . A A . 11 DAL HB3 1 1 13 5510 1 1 11 DAL N N -1.764 18.067 14.987 1.00 . A A . 11 DAL N 1 1 13 5511 1 1 11 DAL O O -1.381 19.960 13.066 1.00 . A A . 11 DAL O 1 1 13 5512 1 1 12 LYS C C -0.799 19.370 9.806 1.00 . A A . 12 LYS C 1 1 13 5513 1 1 12 LYS CA C 0.264 19.691 10.852 1.00 . A A . 12 LYS CA 1 1 13 5514 1 1 12 LYS CB C 1.655 19.633 10.216 1.00 . A A . 12 LYS CB 1 1 13 5515 1 1 12 LYS CD C 3.352 18.221 9.018 1.00 . A A . 12 LYS CD 1 1 13 5516 1 1 12 LYS CE C 3.765 19.121 7.864 1.00 . A A . 12 LYS CE 1 1 13 5517 1 1 12 LYS CG C 1.883 18.397 9.364 1.00 . A A . 12 LYS CG 1 1 13 5518 1 1 12 LYS H H 0.750 17.966 11.979 1.00 . A A . 12 LYS H 1 1 13 5519 1 1 12 LYS HA H 0.091 20.688 11.229 1.00 . A A . 12 LYS HA 1 1 13 5520 1 1 12 LYS HB2 H 1.789 20.505 9.592 1.00 . A A . 12 LYS HB2 1 1 13 5521 1 1 12 LYS HB3 H 2.397 19.645 11.001 1.00 . A A . 12 LYS HB3 1 1 13 5522 1 1 12 LYS HD2 H 3.949 18.468 9.883 1.00 . A A . 12 LYS HD2 1 1 13 5523 1 1 12 LYS HD3 H 3.526 17.191 8.740 1.00 . A A . 12 LYS HD3 1 1 13 5524 1 1 12 LYS HE2 H 3.621 20.150 8.158 1.00 . A A . 12 LYS HE2 1 1 13 5525 1 1 12 LYS HE3 H 4.809 18.952 7.648 1.00 . A A . 12 LYS HE3 1 1 13 5526 1 1 12 LYS HG2 H 1.546 17.528 9.909 1.00 . A A . 12 LYS HG2 1 1 13 5527 1 1 12 LYS HG3 H 1.316 18.492 8.448 1.00 . A A . 12 LYS HG3 1 1 13 5528 1 1 12 LYS HZ1 H 2.442 19.705 6.356 1.00 . A A . 12 LYS HZ1 1 1 13 5529 1 1 12 LYS HZ2 H 2.287 18.084 6.814 1.00 . A A . 12 LYS HZ2 1 1 13 5530 1 1 12 LYS HZ3 H 3.593 18.571 5.856 1.00 . A A . 12 LYS HZ3 1 1 13 5531 1 1 12 LYS N N 0.183 18.766 11.976 1.00 . A A . 12 LYS N 1 1 13 5532 1 1 12 LYS NZ N 2.966 18.852 6.637 1.00 . A A . 12 LYS NZ 1 1 13 5533 1 1 12 LYS O O -0.762 18.330 9.148 1.00 . A A . 12 LYS O 1 1 13 5534 1 1 13 PRO C C -2.377 20.235 7.238 1.00 . A A . 13 PRO C 1 1 13 5535 1 1 13 PRO CA C -2.858 20.119 8.680 1.00 . A A . 13 PRO CA 1 1 13 5536 1 1 13 PRO CB C -3.809 21.269 9.020 1.00 . A A . 13 PRO CB 1 1 13 5537 1 1 13 PRO CD C -1.875 21.545 10.396 1.00 . A A . 13 PRO CD 1 1 13 5538 1 1 13 PRO CG C -2.944 22.301 9.657 1.00 . A A . 13 PRO CG 1 1 13 5539 1 1 13 PRO HA H -3.369 19.176 8.813 1.00 . A A . 13 PRO HA 1 1 13 5540 1 1 13 PRO HB2 H -4.267 21.641 8.114 1.00 . A A . 13 PRO HB2 1 1 13 5541 1 1 13 PRO HB3 H -4.573 20.921 9.699 1.00 . A A . 13 PRO HB3 1 1 13 5542 1 1 13 PRO HD2 H -0.942 22.089 10.371 1.00 . A A . 13 PRO HD2 1 1 13 5543 1 1 13 PRO HD3 H -2.179 21.363 11.416 1.00 . A A . 13 PRO HD3 1 1 13 5544 1 1 13 PRO HG2 H -2.502 22.929 8.898 1.00 . A A . 13 PRO HG2 1 1 13 5545 1 1 13 PRO HG3 H -3.527 22.895 10.345 1.00 . A A . 13 PRO HG3 1 1 13 5546 1 1 13 PRO N N -1.768 20.283 9.646 1.00 . A A . 13 PRO N 1 1 13 5547 1 1 13 PRO O O -1.422 20.958 6.947 1.00 . A A . 13 PRO O 1 1 13 5548 1 1 14 LEU C C -3.914 19.353 4.045 1.00 . A A . 14 LEU C 1 1 13 5549 1 1 14 LEU CA C -2.682 19.542 4.924 1.00 . A A . 14 LEU CA 1 1 13 5550 1 1 14 LEU CB C -1.653 18.451 4.622 1.00 . A A . 14 LEU CB 1 1 13 5551 1 1 14 LEU CD1 C 0.694 19.077 4.005 1.00 . A A . 14 LEU CD1 1 1 13 5552 1 1 14 LEU CD2 C -0.620 17.548 2.524 1.00 . A A . 14 LEU CD2 1 1 13 5553 1 1 14 LEU CG C -0.689 18.738 3.470 1.00 . A A . 14 LEU CG 1 1 13 5554 1 1 14 LEU H H -3.793 18.962 6.629 1.00 . A A . 14 LEU H 1 1 13 5555 1 1 14 LEU HA H -2.245 20.506 4.709 1.00 . A A . 14 LEU HA 1 1 13 5556 1 1 14 LEU HB2 H -1.066 18.294 5.513 1.00 . A A . 14 LEU HB2 1 1 13 5557 1 1 14 LEU HB3 H -2.194 17.545 4.384 1.00 . A A . 14 LEU HB3 1 1 13 5558 1 1 14 LEU HD11 H 1.442 18.750 3.299 1.00 . A A . 14 LEU HD11 1 1 13 5559 1 1 14 LEU HD12 H 0.847 18.578 4.950 1.00 . A A . 14 LEU HD12 1 1 13 5560 1 1 14 LEU HD13 H 0.773 20.145 4.145 1.00 . A A . 14 LEU HD13 1 1 13 5561 1 1 14 LEU HD21 H 0.008 16.783 2.953 1.00 . A A . 14 LEU HD21 1 1 13 5562 1 1 14 LEU HD22 H -0.206 17.866 1.578 1.00 . A A . 14 LEU HD22 1 1 13 5563 1 1 14 LEU HD23 H -1.614 17.155 2.368 1.00 . A A . 14 LEU HD23 1 1 13 5564 1 1 14 LEU HG H -1.049 19.591 2.912 1.00 . A A . 14 LEU HG 1 1 13 5565 1 1 14 LEU N N -3.042 19.519 6.338 1.00 . A A . 14 LEU N 1 1 13 5566 1 1 14 LEU O O -5.045 19.503 4.504 1.00 . A A . 14 LEU O 1 1 13 5567 1 1 15 GLY C C -5.305 17.392 1.880 1.00 . A A . 15 GLY C 1 1 13 5568 1 1 15 GLY CA C -4.787 18.816 1.855 1.00 . A A . 15 GLY CA 1 1 13 5569 1 1 15 GLY H H -2.762 18.917 2.467 1.00 . A A . 15 GLY H 1 1 13 5570 1 1 15 GLY HA2 H -5.592 19.486 2.117 1.00 . A A . 15 GLY HA2 1 1 13 5571 1 1 15 GLY HA3 H -4.451 19.046 0.855 1.00 . A A . 15 GLY HA3 1 1 13 5572 1 1 15 GLY N N -3.686 19.022 2.778 1.00 . A A . 15 GLY N 1 1 13 5573 1 1 15 GLY O O -6.374 17.104 1.343 1.00 . A A . 15 GLY O 1 1 13 5574 1 1 16 ASN C C -4.352 14.450 3.850 1.00 . A A . 16 ASN C 1 1 13 5575 1 1 16 ASN CA C -4.934 15.095 2.595 1.00 . A A . 16 ASN CA 1 1 13 5576 1 1 16 ASN CB C -4.467 14.334 1.353 1.00 . A A . 16 ASN CB 1 1 13 5577 1 1 16 ASN CG C -3.130 13.648 1.563 1.00 . A A . 16 ASN CG 1 1 13 5578 1 1 16 ASN H H -3.703 16.788 2.913 1.00 . A A . 16 ASN H 1 1 13 5579 1 1 16 ASN HA H -6.011 15.052 2.649 1.00 . A A . 16 ASN HA 1 1 13 5580 1 1 16 ASN HB2 H -5.200 13.580 1.103 1.00 . A A . 16 ASN HB2 1 1 13 5581 1 1 16 ASN HB3 H -4.372 15.024 0.529 1.00 . A A . 16 ASN HB3 1 1 13 5582 1 1 16 ASN HD21 H -4.044 11.911 1.882 1.00 . A A . 16 ASN HD21 1 1 13 5583 1 1 16 ASN HD22 H -2.319 11.881 1.975 1.00 . A A . 16 ASN HD22 1 1 13 5584 1 1 16 ASN N N -4.545 16.498 2.504 1.00 . A A . 16 ASN N 1 1 13 5585 1 1 16 ASN ND2 N -3.168 12.349 1.834 1.00 . A A . 16 ASN ND2 1 1 13 5586 1 1 16 ASN O O -4.250 13.227 3.940 1.00 . A A . 16 ASN O 1 1 13 5587 1 1 16 ASN OD1 O -2.077 14.280 1.483 1.00 . A A . 16 ASN OD1 1 1 13 5588 1 1 17 ASN C C -4.336 13.790 6.734 1.00 . A A . 17 ASN C 1 1 13 5589 1 1 17 ASN CA C -3.401 14.792 6.064 1.00 . A A . 17 ASN CA 1 1 13 5590 1 1 17 ASN CB C -3.121 15.959 7.013 1.00 . A A . 17 ASN CB 1 1 13 5591 1 1 17 ASN CG C -1.960 15.680 7.947 1.00 . A A . 17 ASN CG 1 1 13 5592 1 1 17 ASN H H -4.078 16.246 4.683 1.00 . A A . 17 ASN H 1 1 13 5593 1 1 17 ASN HA H -2.469 14.298 5.831 1.00 . A A . 17 ASN HA 1 1 13 5594 1 1 17 ASN HB2 H -2.887 16.839 6.431 1.00 . A A . 17 ASN HB2 1 1 13 5595 1 1 17 ASN HB3 H -4.001 16.150 7.608 1.00 . A A . 17 ASN HB3 1 1 13 5596 1 1 17 ASN HD21 H -2.904 16.600 9.436 1.00 . A A . 17 ASN HD21 1 1 13 5597 1 1 17 ASN HD22 H -1.346 15.957 9.817 1.00 . A A . 17 ASN HD22 1 1 13 5598 1 1 17 ASN N N -3.972 15.281 4.814 1.00 . A A . 17 ASN N 1 1 13 5599 1 1 17 ASN ND2 N -2.082 16.124 9.192 1.00 . A A . 17 ASN ND2 1 1 13 5600 1 1 17 ASN O O -5.267 13.281 6.112 1.00 . A A . 17 ASN O 1 1 13 5601 1 1 17 ASN OD1 O -0.964 15.072 7.553 1.00 . A A . 17 ASN OD1 1 1 13 5602 1 1 18 GLY C C -4.087 11.543 9.497 1.00 . A A . 18 GLY C 1 1 13 5603 1 1 18 GLY CA C -4.907 12.571 8.743 1.00 . A A . 18 GLY CA 1 1 13 5604 1 1 18 GLY H H -3.323 13.946 8.454 1.00 . A A . 18 GLY H 1 1 13 5605 1 1 18 GLY HA2 H -5.516 13.118 9.447 1.00 . A A . 18 GLY HA2 1 1 13 5606 1 1 18 GLY HA3 H -5.553 12.058 8.046 1.00 . A A . 18 GLY HA3 1 1 13 5607 1 1 18 GLY N N -4.080 13.511 8.009 1.00 . A A . 18 GLY N 1 1 13 5608 1 1 18 GLY O O -4.630 10.573 10.027 1.00 . A A . 18 GLY O 1 1 13 5609 1 1 19 TYR C C -1.290 11.486 11.485 1.00 . A A . 19 TYR C 1 1 13 5610 1 1 19 TYR CA C -1.879 10.836 10.237 1.00 . A A . 19 TYR CA 1 1 13 5611 1 1 19 TYR CB C -0.755 10.388 9.302 1.00 . A A . 19 TYR CB 1 1 13 5612 1 1 19 TYR CD1 C -1.074 7.892 9.526 1.00 . A A . 19 TYR CD1 1 1 13 5613 1 1 19 TYR CD2 C 1.090 8.793 9.957 1.00 . A A . 19 TYR CD2 1 1 13 5614 1 1 19 TYR CE1 C -0.605 6.622 9.798 1.00 . A A . 19 TYR CE1 1 1 13 5615 1 1 19 TYR CE2 C 1.569 7.526 10.230 1.00 . A A . 19 TYR CE2 1 1 13 5616 1 1 19 TYR CG C -0.237 8.999 9.601 1.00 . A A . 19 TYR CG 1 1 13 5617 1 1 19 TYR CZ C 0.717 6.444 10.150 1.00 . A A . 19 TYR CZ 1 1 13 5618 1 1 19 TYR H H -2.403 12.545 9.105 1.00 . A A . 19 TYR H 1 1 13 5619 1 1 19 TYR HA H -2.454 9.971 10.533 1.00 . A A . 19 TYR HA 1 1 13 5620 1 1 19 TYR HB2 H -1.117 10.394 8.286 1.00 . A A . 19 TYR HB2 1 1 13 5621 1 1 19 TYR HB3 H 0.073 11.076 9.390 1.00 . A A . 19 TYR HB3 1 1 13 5622 1 1 19 TYR HD1 H -2.108 8.036 9.249 1.00 . A A . 19 TYR HD1 1 1 13 5623 1 1 19 TYR HD2 H 1.755 9.643 10.019 1.00 . A A . 19 TYR HD2 1 1 13 5624 1 1 19 TYR HE1 H -1.271 5.775 9.735 1.00 . A A . 19 TYR HE1 1 1 13 5625 1 1 19 TYR HE2 H 2.604 7.386 10.506 1.00 . A A . 19 TYR HE2 1 1 13 5626 1 1 19 TYR HH H 1.764 5.211 11.189 1.00 . A A . 19 TYR HH 1 1 13 5627 1 1 19 TYR N N -2.776 11.754 9.546 1.00 . A A . 19 TYR N 1 1 13 5628 1 1 19 TYR O O -1.702 12.576 11.885 1.00 . A A . 19 TYR O 1 1 13 5629 1 1 19 TYR OH O 1.189 5.180 10.421 1.00 . A A . 19 TYR OH 1 1 13 5630 1 1 20 LEU C C 1.275 12.468 12.960 1.00 . A A . 20 LEU C 1 1 13 5631 1 1 20 LEU CA C 0.326 11.322 13.298 1.00 . A A . 20 LEU CA 1 1 13 5632 1 1 20 LEU CB C 1.093 10.201 14.002 1.00 . A A . 20 LEU CB 1 1 13 5633 1 1 20 LEU CD1 C 0.143 9.714 16.270 1.00 . A A . 20 LEU CD1 1 1 13 5634 1 1 20 LEU CD2 C -1.131 9.064 14.218 1.00 . A A . 20 LEU CD2 1 1 13 5635 1 1 20 LEU CG C 0.251 9.231 14.832 1.00 . A A . 20 LEU CG 1 1 13 5636 1 1 20 LEU H H -0.037 9.948 11.729 1.00 . A A . 20 LEU H 1 1 13 5637 1 1 20 LEU HA H -0.444 11.691 13.958 1.00 . A A . 20 LEU HA 1 1 13 5638 1 1 20 LEU HB2 H 1.609 9.628 13.248 1.00 . A A . 20 LEU HB2 1 1 13 5639 1 1 20 LEU HB3 H 1.816 10.660 14.661 1.00 . A A . 20 LEU HB3 1 1 13 5640 1 1 20 LEU HD11 H 0.246 10.788 16.298 1.00 . A A . 20 LEU HD11 1 1 13 5641 1 1 20 LEU HD12 H 0.924 9.261 16.862 1.00 . A A . 20 LEU HD12 1 1 13 5642 1 1 20 LEU HD13 H -0.820 9.434 16.672 1.00 . A A . 20 LEU HD13 1 1 13 5643 1 1 20 LEU HD21 H -1.673 9.995 14.292 1.00 . A A . 20 LEU HD21 1 1 13 5644 1 1 20 LEU HD22 H -1.668 8.291 14.747 1.00 . A A . 20 LEU HD22 1 1 13 5645 1 1 20 LEU HD23 H -1.031 8.786 13.178 1.00 . A A . 20 LEU HD23 1 1 13 5646 1 1 20 LEU HG H 0.733 8.263 14.841 1.00 . A A . 20 LEU HG 1 1 13 5647 1 1 20 LEU N N -0.322 10.811 12.095 1.00 . A A . 20 LEU N 1 1 13 5648 1 1 20 LEU O O 1.623 12.677 11.798 1.00 . A A . 20 LEU O 1 1 13 5649 1 1 21 CYS C C 4.052 13.859 13.791 1.00 . A A . 21 CYS C 1 1 13 5650 1 1 21 CYS CA C 2.600 14.329 13.797 1.00 . A A . 21 CYS CA 1 1 13 5651 1 1 21 CYS CB C 2.394 15.369 14.901 1.00 . A A . 21 CYS CB 1 1 13 5652 1 1 21 CYS H H 1.378 12.989 14.888 1.00 . A A . 21 CYS H 1 1 13 5653 1 1 21 CYS HA H 2.378 14.782 12.842 1.00 . A A . 21 CYS HA 1 1 13 5654 1 1 21 CYS HB2 H 1.572 15.056 15.529 1.00 . A A . 21 CYS HB2 1 1 13 5655 1 1 21 CYS HB3 H 3.292 15.433 15.497 1.00 . A A . 21 CYS HB3 1 1 13 5656 1 1 21 CYS N N 1.691 13.206 13.984 1.00 . A A . 21 CYS N 1 1 13 5657 1 1 21 CYS O O 4.326 12.666 13.656 1.00 . A A . 21 CYS O 1 1 13 5658 1 1 21 CYS SG S 2.015 17.041 14.286 1.00 . A A . 21 CYS SG 1 1 13 5659 1 1 22 . C C 6.882 14.193 12.539 1.00 . A A . 22 DBB C 1 1 13 5660 1 1 22 . CA C 6.391 14.492 13.943 1.00 . A A . 22 DBB CA 1 1 13 5661 1 1 22 . CB C 7.205 15.659 14.537 1.00 . A A . 22 DBB CB 1 1 13 5662 1 1 22 . CG C 6.605 16.036 15.891 1.00 . A A . 22 DBB CG 1 1 13 5663 1 1 22 . H H 4.683 15.738 14.042 1.00 . A A . 22 DBB H 1 1 13 5664 1 1 22 . HA H 6.545 13.620 14.561 1.00 . A A . 22 DBB HA 1 1 13 5665 1 1 22 . HB3 H 7.081 16.504 13.869 1.00 . A A . 22 DBB HB3 1 1 13 5666 1 1 22 . HG1 H 6.597 17.110 15.993 1.00 . A A . 22 DBB HG1 1 1 13 5667 1 1 22 . HG2 H 7.196 15.601 16.682 1.00 . A A . 22 DBB HG2 1 1 13 5668 1 1 22 . HG3 H 5.592 15.662 15.946 1.00 . A A . 22 DBB HG3 1 1 13 5669 1 1 22 . N N 4.970 14.799 13.938 1.00 . A A . 22 DBB N 1 1 13 5670 1 1 22 . O O 7.751 13.342 12.344 1.00 . A A . 22 DBB O 1 1 13 5671 1 1 23 VAL C C 7.025 15.993 9.480 1.00 . A A . 23 VAL C 1 1 13 5672 1 1 23 VAL CA C 6.681 14.672 10.161 1.00 . A A . 23 VAL CA 1 1 13 5673 1 1 23 VAL CB C 5.549 13.983 9.377 1.00 . A A . 23 VAL CB 1 1 13 5674 1 1 23 VAL CG1 C 6.068 13.443 8.053 1.00 . A A . 23 VAL CG1 1 1 13 5675 1 1 23 VAL CG2 C 4.926 12.871 10.208 1.00 . A A . 23 VAL CG2 1 1 13 5676 1 1 23 VAL H H 5.625 15.546 11.773 1.00 . A A . 23 VAL H 1 1 13 5677 1 1 23 VAL HA H 7.549 14.030 10.138 1.00 . A A . 23 VAL HA 1 1 13 5678 1 1 23 VAL HB H 4.785 14.717 9.166 1.00 . A A . 23 VAL HB 1 1 13 5679 1 1 23 VAL HG11 H 5.379 12.704 7.671 1.00 . A A . 23 VAL HG11 1 1 13 5680 1 1 23 VAL HG12 H 6.159 14.253 7.344 1.00 . A A . 23 VAL HG12 1 1 13 5681 1 1 23 VAL HG13 H 7.035 12.987 8.205 1.00 . A A . 23 VAL HG13 1 1 13 5682 1 1 23 VAL HG21 H 4.050 12.492 9.704 1.00 . A A . 23 VAL HG21 1 1 13 5683 1 1 23 VAL HG22 H 5.642 12.073 10.335 1.00 . A A . 23 VAL HG22 1 1 13 5684 1 1 23 VAL HG23 H 4.645 13.260 11.176 1.00 . A A . 23 VAL HG23 1 1 13 5685 1 1 23 VAL N N 6.311 14.881 11.555 1.00 . A A . 23 VAL N 1 1 13 5686 1 1 23 VAL O O 6.429 17.028 9.779 1.00 . A A . 23 VAL O 1 1 13 5687 1 1 24 . C C 9.312 17.994 8.719 1.00 . A A . 24 DBB C 1 1 13 5688 1 1 24 . CA C 8.415 17.133 7.849 1.00 . A A . 24 DBB CA 1 1 13 5689 1 1 24 . CB C 9.164 16.750 6.556 1.00 . A A . 24 DBB CB 1 1 13 5690 1 1 24 . CG C 8.652 15.392 6.077 1.00 . A A . 24 DBB CG 1 1 13 5691 1 1 24 . H H 8.420 15.083 8.376 1.00 . A A . 24 DBB H 1 1 13 5692 1 1 24 . HA H 7.538 17.702 7.579 1.00 . A A . 24 DBB HA 1 1 13 5693 1 1 24 . HB3 H 10.210 16.641 6.816 1.00 . A A . 24 DBB HB3 1 1 13 5694 1 1 24 . HG1 H 8.872 15.276 5.028 1.00 . A A . 24 DBB HG1 1 1 13 5695 1 1 24 . HG2 H 7.586 15.333 6.234 1.00 . A A . 24 DBB HG2 1 1 13 5696 1 1 24 . HG3 H 9.146 14.611 6.637 1.00 . A A . 24 DBB HG3 1 1 13 5697 1 1 24 . N N 7.983 15.947 8.569 1.00 . A A . 24 DBB N 1 1 13 5698 1 1 24 . O O 9.562 17.670 9.880 1.00 . A A . 24 DBB O 1 1 13 5699 1 1 25 LYS C C 10.499 19.860 10.380 1.00 . A A . 25 LYS C 1 1 13 5700 1 1 25 LYS CA C 10.703 19.986 8.873 1.00 . A A . 25 LYS CA 1 1 13 5701 1 1 25 LYS CB C 10.466 21.433 8.435 1.00 . A A . 25 LYS CB 1 1 13 5702 1 1 25 LYS CD C 11.186 23.004 6.612 1.00 . A A . 25 LYS CD 1 1 13 5703 1 1 25 LYS CE C 11.478 24.450 6.983 1.00 . A A . 25 LYS CE 1 1 13 5704 1 1 25 LYS CG C 11.644 22.047 7.700 1.00 . A A . 25 LYS CG 1 1 13 5705 1 1 25 LYS H H 9.576 19.292 7.221 1.00 . A A . 25 LYS H 1 1 13 5706 1 1 25 LYS HA H 11.719 19.709 8.635 1.00 . A A . 25 LYS HA 1 1 13 5707 1 1 25 LYS HB2 H 9.606 21.462 7.782 1.00 . A A . 25 LYS HB2 1 1 13 5708 1 1 25 LYS HB3 H 10.262 22.033 9.310 1.00 . A A . 25 LYS HB3 1 1 13 5709 1 1 25 LYS HD2 H 11.704 22.768 5.695 1.00 . A A . 25 LYS HD2 1 1 13 5710 1 1 25 LYS HD3 H 10.121 22.887 6.467 1.00 . A A . 25 LYS HD3 1 1 13 5711 1 1 25 LYS HE2 H 12.482 24.512 7.376 1.00 . A A . 25 LYS HE2 1 1 13 5712 1 1 25 LYS HE3 H 11.402 25.058 6.094 1.00 . A A . 25 LYS HE3 1 1 13 5713 1 1 25 LYS HG2 H 12.255 22.588 8.407 1.00 . A A . 25 LYS HG2 1 1 13 5714 1 1 25 LYS HG3 H 12.227 21.256 7.249 1.00 . A A . 25 LYS HG3 1 1 13 5715 1 1 25 LYS HZ1 H 10.687 25.979 8.167 1.00 . A A . 25 LYS HZ1 1 1 13 5716 1 1 25 LYS HZ2 H 10.656 24.456 8.903 1.00 . A A . 25 LYS HZ2 1 1 13 5717 1 1 25 LYS HZ3 H 9.546 24.827 7.682 1.00 . A A . 25 LYS HZ3 1 1 13 5718 1 1 25 LYS N N 9.812 19.086 8.150 1.00 . A A . 25 LYS N 1 1 13 5719 1 1 25 LYS NZ N 10.525 24.964 8.006 1.00 . A A . 25 LYS NZ 1 1 13 5720 1 1 25 LYS O O 11.449 19.964 11.154 1.00 . A A . 25 LYS O 1 1 13 5721 1 1 26 GLU C C 9.858 18.492 12.877 1.00 . A A . 26 GLU C 1 1 13 5722 1 1 26 GLU CA C 8.927 19.494 12.201 1.00 . A A . 26 GLU CA 1 1 13 5723 1 1 26 GLU CB C 7.472 19.049 12.369 1.00 . A A . 26 GLU CB 1 1 13 5724 1 1 26 GLU CD C 5.074 19.471 11.700 1.00 . A A . 26 GLU CD 1 1 13 5725 1 1 26 GLU CG C 6.534 19.627 11.323 1.00 . A A . 26 GLU CG 1 1 13 5726 1 1 26 GLU H H 8.539 19.561 10.121 1.00 . A A . 26 GLU H 1 1 13 5727 1 1 26 GLU HA H 9.055 20.458 12.668 1.00 . A A . 26 GLU HA 1 1 13 5728 1 1 26 GLU HB2 H 7.428 17.971 12.306 1.00 . A A . 26 GLU HB2 1 1 13 5729 1 1 26 GLU HB3 H 7.125 19.357 13.344 1.00 . A A . 26 GLU HB3 1 1 13 5730 1 1 26 GLU HG2 H 6.749 20.679 11.207 1.00 . A A . 26 GLU HG2 1 1 13 5731 1 1 26 GLU HG3 H 6.705 19.121 10.385 1.00 . A A . 26 GLU HG3 1 1 13 5732 1 1 26 GLU N N 9.254 19.634 10.787 1.00 . A A . 26 GLU N 1 1 13 5733 1 1 26 GLU O O 10.421 18.768 13.937 1.00 . A A . 26 GLU O 1 1 13 5734 1 1 26 GLU OE1 O 4.651 18.328 11.973 1.00 . A A . 26 GLU OE1 1 1 13 5735 1 1 26 GLU OE2 O 4.353 20.491 11.721 1.00 . A A . 26 GLU OE2 1 1 13 5736 1 1 27 CYS C C 11.938 15.872 11.782 1.00 . A A . 27 CYS C 1 1 13 5737 1 1 27 CYS CA C 10.876 16.283 12.799 1.00 . A A . 27 CYS CA 1 1 13 5738 1 1 27 CYS CB C 10.044 15.065 13.204 1.00 . A A . 27 CYS CB 1 1 13 5739 1 1 27 CYS H H 9.539 17.165 11.415 1.00 . A A . 27 CYS H 1 1 13 5740 1 1 27 CYS HA H 11.368 16.678 13.674 1.00 . A A . 27 CYS HA 1 1 13 5741 1 1 27 CYS HB2 H 9.398 14.790 12.382 1.00 . A A . 27 CYS HB2 1 1 13 5742 1 1 27 CYS HB3 H 10.707 14.241 13.424 1.00 . A A . 27 CYS HB3 1 1 13 5743 1 1 27 CYS N N 10.015 17.327 12.258 1.00 . A A . 27 CYS N 1 1 13 5744 1 1 27 CYS O O 12.921 15.217 12.126 1.00 . A A . 27 CYS O 1 1 13 5745 1 1 27 CYS SG S 8.991 15.336 14.665 1.00 . A A . 27 CYS SG 1 1 13 5746 1 1 28 MET C C 13.068 17.186 8.687 1.00 . A A . 28 MET C 1 1 13 5747 1 1 28 MET CA C 12.669 15.935 9.462 1.00 . A A . 28 MET CA 1 1 13 5748 1 1 28 MET CB C 12.056 14.905 8.510 1.00 . A A . 28 MET CB 1 1 13 5749 1 1 28 MET CE C 12.129 11.611 9.376 1.00 . A A . 28 MET CE 1 1 13 5750 1 1 28 MET CG C 13.045 13.855 8.032 1.00 . A A . 28 MET CG 1 1 13 5751 1 1 28 MET H H 10.927 16.781 10.315 1.00 . A A . 28 MET H 1 1 13 5752 1 1 28 MET HA H 13.552 15.510 9.916 1.00 . A A . 28 MET HA 1 1 13 5753 1 1 28 MET HB2 H 11.246 14.402 9.017 1.00 . A A . 28 MET HB2 1 1 13 5754 1 1 28 MET HB3 H 11.665 15.420 7.645 1.00 . A A . 28 MET HB3 1 1 13 5755 1 1 28 MET HE1 H 12.476 10.588 9.418 1.00 . A A . 28 MET HE1 1 1 13 5756 1 1 28 MET HE2 H 11.526 11.822 10.246 1.00 . A A . 28 MET HE2 1 1 13 5757 1 1 28 MET HE3 H 11.537 11.755 8.484 1.00 . A A . 28 MET HE3 1 1 13 5758 1 1 28 MET HG2 H 12.590 13.287 7.235 1.00 . A A . 28 MET HG2 1 1 13 5759 1 1 28 MET HG3 H 13.927 14.354 7.658 1.00 . A A . 28 MET HG3 1 1 13 5760 1 1 28 MET N N 11.730 16.261 10.528 1.00 . A A . 28 MET N 1 1 13 5761 1 1 28 MET O O 12.255 17.807 8.002 1.00 . A A . 28 MET O 1 1 13 5762 1 1 28 MET SD S 13.537 12.717 9.342 1.00 . A A . 28 MET SD 1 1 13 5763 1 1 29 PRO C C 14.969 18.556 6.602 1.00 . A A . 29 PRO C 1 1 13 5764 1 1 29 PRO CA C 14.885 18.749 8.112 1.00 . A A . 29 PRO CA 1 1 13 5765 1 1 29 PRO CB C 16.285 18.901 8.711 1.00 . A A . 29 PRO CB 1 1 13 5766 1 1 29 PRO CD C 15.374 16.876 9.596 1.00 . A A . 29 PRO CD 1 1 13 5767 1 1 29 PRO CG C 16.656 17.530 9.160 1.00 . A A . 29 PRO CG 1 1 13 5768 1 1 29 PRO HA H 14.301 19.632 8.329 1.00 . A A . 29 PRO HA 1 1 13 5769 1 1 29 PRO HB2 H 16.965 19.268 7.954 1.00 . A A . 29 PRO HB2 1 1 13 5770 1 1 29 PRO HB3 H 16.253 19.593 9.539 1.00 . A A . 29 PRO HB3 1 1 13 5771 1 1 29 PRO HD2 H 15.393 15.821 9.368 1.00 . A A . 29 PRO HD2 1 1 13 5772 1 1 29 PRO HD3 H 15.210 17.034 10.651 1.00 . A A . 29 PRO HD3 1 1 13 5773 1 1 29 PRO HG2 H 17.098 16.982 8.342 1.00 . A A . 29 PRO HG2 1 1 13 5774 1 1 29 PRO HG3 H 17.346 17.590 9.989 1.00 . A A . 29 PRO HG3 1 1 13 5775 1 1 29 PRO N N 14.350 17.568 8.796 1.00 . A A . 29 PRO N 1 1 13 5776 1 1 29 PRO O O 15.149 19.516 5.853 1.00 . A A . 29 PRO O 1 1 13 5777 1 1 30 SER C C 13.584 17.319 4.048 1.00 . A A . 30 SER C 1 1 13 5778 1 1 30 SER CA C 14.903 16.989 4.740 1.00 . A A . 30 SER CA 1 1 13 5779 1 1 30 SER CB C 15.240 15.510 4.543 1.00 . A A . 30 SER CB 1 1 13 5780 1 1 30 SER H H 14.698 16.586 6.808 1.00 . A A . 30 SER H 1 1 13 5781 1 1 30 SER HA H 15.687 17.589 4.301 1.00 . A A . 30 SER HA 1 1 13 5782 1 1 30 SER HB2 H 15.890 15.182 5.340 1.00 . A A . 30 SER HB2 1 1 13 5783 1 1 30 SER HB3 H 14.328 14.931 4.562 1.00 . A A . 30 SER HB3 1 1 13 5784 1 1 30 SER HG H 15.505 14.533 2.866 1.00 . A A . 30 SER HG 1 1 13 5785 1 1 30 SER N N 14.839 17.308 6.161 1.00 . A A . 30 SER N 1 1 13 5786 1 1 30 SER O O 13.224 16.702 3.046 1.00 . A A . 30 SER O 1 1 13 5787 1 1 30 SER OG O 15.892 15.295 3.303 1.00 . A A . 30 SER OG 1 1 13 5788 1 1 31 CYS C C 11.767 19.890 3.077 1.00 . A A . 31 CYS C 1 1 13 5789 1 1 31 CYS CA C 11.587 18.711 4.029 1.00 . A A . 31 CYS CA 1 1 13 5790 1 1 31 CYS CB C 10.613 19.088 5.147 1.00 . A A . 31 CYS CB 1 1 13 5791 1 1 31 CYS H H 13.207 18.752 5.391 1.00 . A A . 31 CYS H 1 1 13 5792 1 1 31 CYS HA H 11.182 17.877 3.477 1.00 . A A . 31 CYS HA 1 1 13 5793 1 1 31 CYS HB2 H 11.118 19.000 6.098 1.00 . A A . 31 CYS HB2 1 1 13 5794 1 1 31 CYS HB3 H 10.296 20.111 5.007 1.00 . A A . 31 CYS HB3 1 1 13 5795 1 1 31 CYS N N 12.867 18.297 4.592 1.00 . A A . 31 CYS N 1 1 13 5796 1 1 31 CYS O O 12.134 20.987 3.494 1.00 . A A . 31 CYS O 1 1 13 5797 1 1 31 CYS SG S 9.120 18.047 5.215 1.00 . A A . 31 CYS SG 1 1 13 5798 1 1 32 ASN C C 10.739 20.407 -0.415 1.00 . A A . 32 ASN C 1 1 13 5799 1 1 32 ASN CA C 11.640 20.694 0.783 1.00 . A A . 32 ASN CA 1 1 13 5800 1 1 32 ASN CB C 13.096 20.807 0.326 1.00 . A A . 32 ASN CB 1 1 13 5801 1 1 32 ASN CG C 13.408 22.161 -0.282 1.00 . A A . 32 ASN CG 1 1 13 5802 1 1 32 ASN H H 11.218 18.757 1.523 1.00 . A A . 32 ASN H 1 1 13 5803 1 1 32 ASN HA H 11.339 21.630 1.229 1.00 . A A . 32 ASN HA 1 1 13 5804 1 1 32 ASN HB2 H 13.746 20.657 1.175 1.00 . A A . 32 ASN HB2 1 1 13 5805 1 1 32 ASN HB3 H 13.295 20.046 -0.414 1.00 . A A . 32 ASN HB3 1 1 13 5806 1 1 32 ASN HD21 H 13.143 21.428 -2.112 1.00 . A A . 32 ASN HD21 1 1 13 5807 1 1 32 ASN HD22 H 13.567 23.101 -2.026 1.00 . A A . 32 ASN HD22 1 1 13 5808 1 1 32 ASN N N 11.507 19.653 1.795 1.00 . A A . 32 ASN N 1 1 13 5809 1 1 32 ASN ND2 N 13.368 22.238 -1.607 1.00 . A A . 32 ASN ND2 1 1 13 5810 1 1 32 ASN O O 10.053 19.387 -0.457 1.00 . A A . 32 ASN O 1 1 13 5811 1 1 32 ASN OD1 O 13.681 23.126 0.432 1.00 . A A . 32 ASN OD1 1 1 14 5812 1 1 1 2KT C1 C -5.326 4.847 23.834 1.00 . A A . 1 2KT C1 1 1 14 5813 1 1 1 2KT C2 C -6.614 4.680 24.160 1.00 . A A . 1 2KT C2 1 1 14 5814 1 1 1 2KT C3 C -7.178 5.490 24.962 1.00 . A A . 1 2KT C3 1 1 14 5815 1 1 1 2KT C4 C -7.687 6.529 24.393 1.00 . A A . 1 2KT C4 1 1 14 5816 1 1 1 2KT H31 H -6.633 5.986 25.638 1.00 . A A . 1 2KT H31 1 1 14 5817 1 1 1 2KT H32 H -7.886 5.163 25.589 1.00 . A A . 1 2KT H32 1 1 14 5818 1 1 1 2KT H41 H -8.307 6.421 23.616 1.00 . A A . 1 2KT H41 1 1 14 5819 1 1 1 2KT H42 H -8.257 7.160 24.921 1.00 . A A . 1 2KT H42 1 1 14 5820 1 1 1 2KT H43 H -7.089 7.217 23.981 1.00 . A A . 1 2KT H43 1 1 14 5821 1 1 1 2KT O1 O -4.734 5.820 24.303 1.00 . A A . 1 2KT O1 1 1 14 5822 1 1 1 2KT O3 O -7.229 3.731 23.667 1.00 . A A . 1 2KT O3 1 1 14 5823 1 1 2 ILE C C -3.075 5.461 22.012 1.00 . A A . 2 ILE C 1 1 14 5824 1 1 2 ILE CA C -3.347 4.096 22.635 1.00 . A A . 2 ILE CA 1 1 14 5825 1 1 2 ILE CB C -2.938 2.998 21.635 1.00 . A A . 2 ILE CB 1 1 14 5826 1 1 2 ILE CD1 C -3.362 2.156 19.271 1.00 . A A . 2 ILE CD1 1 1 14 5827 1 1 2 ILE CG1 C -3.512 3.300 20.249 1.00 . A A . 2 ILE CG1 1 1 14 5828 1 1 2 ILE CG2 C -3.408 1.636 22.123 1.00 . A A . 2 ILE CG2 1 1 14 5829 1 1 2 ILE H H -5.269 3.212 22.685 1.00 . A A . 2 ILE H 1 1 14 5830 1 1 2 ILE HA H -2.741 3.990 23.523 1.00 . A A . 2 ILE HA 1 1 14 5831 1 1 2 ILE HB H -1.861 2.980 21.575 1.00 . A A . 2 ILE HB 1 1 14 5832 1 1 2 ILE HD11 H -3.580 2.506 18.272 1.00 . A A . 2 ILE HD11 1 1 14 5833 1 1 2 ILE HD12 H -2.349 1.782 19.306 1.00 . A A . 2 ILE HD12 1 1 14 5834 1 1 2 ILE HD13 H -4.048 1.365 19.533 1.00 . A A . 2 ILE HD13 1 1 14 5835 1 1 2 ILE HG12 H -4.563 3.521 20.342 1.00 . A A . 2 ILE HG12 1 1 14 5836 1 1 2 ILE HG13 H -3.002 4.159 19.837 1.00 . A A . 2 ILE HG13 1 1 14 5837 1 1 2 ILE HG21 H -4.467 1.531 21.934 1.00 . A A . 2 ILE HG21 1 1 14 5838 1 1 2 ILE HG22 H -2.872 0.861 21.598 1.00 . A A . 2 ILE HG22 1 1 14 5839 1 1 2 ILE HG23 H -3.222 1.549 23.183 1.00 . A A . 2 ILE HG23 1 1 14 5840 1 1 2 ILE N N -4.745 3.966 23.026 1.00 . A A . 2 ILE N 1 1 14 5841 1 1 2 ILE O O -4.001 6.157 21.592 1.00 . A A . 2 ILE O 1 1 14 5842 1 1 3 . C C -0.717 7.970 22.437 1.00 . A A . 3 DBB C 1 1 14 5843 1 1 3 . CA C -1.408 7.113 21.392 1.00 . A A . 3 DBB CA 1 1 14 5844 1 1 3 . CB C -0.469 6.914 20.184 1.00 . A A . 3 DBB CB 1 1 14 5845 1 1 3 . CG C -1.108 5.909 19.226 1.00 . A A . 3 DBB CG 1 1 14 5846 1 1 3 . H H -1.113 5.228 22.309 1.00 . A A . 3 DBB H 1 1 14 5847 1 1 3 . HA H -2.296 7.624 21.051 1.00 . A A . 3 DBB HA 1 1 14 5848 1 1 3 . HB3 H 0.448 6.478 20.564 1.00 . A A . 3 DBB HB3 1 1 14 5849 1 1 3 . HG1 H -2.182 5.971 19.307 1.00 . A A . 3 DBB HG1 1 1 14 5850 1 1 3 . HG2 H -0.782 4.912 19.479 1.00 . A A . 3 DBB HG2 1 1 14 5851 1 1 3 . HG3 H -0.808 6.144 18.215 1.00 . A A . 3 DBB HG3 1 1 14 5852 1 1 3 . N N -1.808 5.834 21.954 1.00 . A A . 3 DBB N 1 1 14 5853 1 1 3 . O O 0.211 8.717 22.124 1.00 . A A . 3 DBB O 1 1 14 5854 1 1 4 LEU C C 0.864 8.932 24.534 1.00 . A A . 4 LEU C 1 1 14 5855 1 1 4 LEU CA C -0.619 8.662 24.768 1.00 . A A . 4 LEU CA 1 1 14 5856 1 1 4 LEU CB C -0.812 7.936 26.100 1.00 . A A . 4 LEU CB 1 1 14 5857 1 1 4 LEU CD1 C -3.187 7.179 26.365 1.00 . A A . 4 LEU CD1 1 1 14 5858 1 1 4 LEU CD2 C -1.954 8.127 28.324 1.00 . A A . 4 LEU CD2 1 1 14 5859 1 1 4 LEU CG C -2.141 8.186 26.815 1.00 . A A . 4 LEU CG 1 1 14 5860 1 1 4 LEU H H -1.925 7.263 23.865 1.00 . A A . 4 LEU H 1 1 14 5861 1 1 4 LEU HA H -1.143 9.606 24.802 1.00 . A A . 4 LEU HA 1 1 14 5862 1 1 4 LEU HB2 H -0.732 6.876 25.913 1.00 . A A . 4 LEU HB2 1 1 14 5863 1 1 4 LEU HB3 H -0.016 8.244 26.763 1.00 . A A . 4 LEU HB3 1 1 14 5864 1 1 4 LEU HD11 H -3.716 7.568 25.508 1.00 . A A . 4 LEU HD11 1 1 14 5865 1 1 4 LEU HD12 H -3.885 7.001 27.169 1.00 . A A . 4 LEU HD12 1 1 14 5866 1 1 4 LEU HD13 H -2.702 6.251 26.099 1.00 . A A . 4 LEU HD13 1 1 14 5867 1 1 4 LEU HD21 H -2.919 8.148 28.807 1.00 . A A . 4 LEU HD21 1 1 14 5868 1 1 4 LEU HD22 H -1.370 8.975 28.648 1.00 . A A . 4 LEU HD22 1 1 14 5869 1 1 4 LEU HD23 H -1.439 7.214 28.587 1.00 . A A . 4 LEU HD23 1 1 14 5870 1 1 4 LEU HG H -2.498 9.175 26.560 1.00 . A A . 4 LEU HG 1 1 14 5871 1 1 4 LEU N N -1.183 7.876 23.677 1.00 . A A . 4 LEU N 1 1 14 5872 1 1 4 LEU O O 1.621 8.004 24.235 1.00 . A A . 4 LEU O 1 1 14 5873 1 1 5 DHA C C 2.911 11.519 23.518 1.00 . A A . 5 DHA C 1 1 14 5874 1 1 5 DHA CA C 2.571 10.553 24.491 1.00 . A A . 5 DHA CA 1 1 14 5875 1 1 5 DHA CB C 3.526 10.012 25.257 1.00 . A A . 5 DHA CB 1 1 14 5876 1 1 5 DHA H H 0.566 10.839 24.912 1.00 . A A . 5 DHA H 1 1 14 5877 1 1 5 DHA HB1 H 3.267 9.280 26.009 1.00 . A A . 5 DHA HB1 1 1 14 5878 1 1 5 DHA HB2 H 4.547 10.328 25.148 1.00 . A A . 5 DHA HB2 1 1 14 5879 1 1 5 DHA N N 1.260 10.196 24.674 1.00 . A A . 5 DHA N 1 1 14 5880 1 1 5 DHA O O 2.473 12.672 23.582 1.00 . A A . 5 DHA O 1 1 14 5881 1 1 6 DBU C C 3.379 11.693 20.108 1.00 . A A . 6 DBU C 1 1 14 5882 1 1 6 DBU CA C 3.971 11.922 21.488 1.00 . A A . 6 DBU CA 1 1 14 5883 1 1 6 DBU CB C 4.803 12.954 21.701 1.00 . A A . 6 DBU CB 1 1 14 5884 1 1 6 DBU CG C 5.371 13.159 23.075 1.00 . A A . 6 DBU CG 1 1 14 5885 1 1 6 DBU H1 H 3.944 10.140 22.552 1.00 . A A . 6 DBU H1 1 1 14 5886 1 1 6 DBU HB1 H 5.061 13.619 20.889 1.00 . A A . 6 DBU HB1 1 1 14 5887 1 1 6 DBU HG1 H 4.568 13.330 23.775 1.00 . A A . 6 DBU HG1 1 1 14 5888 1 1 6 DBU HG2 H 6.023 14.017 23.072 1.00 . A A . 6 DBU HG2 1 1 14 5889 1 1 6 DBU HG3 H 5.927 12.278 23.363 1.00 . A A . 6 DBU HG3 1 1 14 5890 1 1 6 DBU N N 3.645 11.074 22.505 1.00 . A A . 6 DBU N 1 1 14 5891 1 1 6 DBU O O 3.550 12.503 19.197 1.00 . A A . 6 DBU O 1 1 14 5892 1 1 7 CYS C C 0.922 11.089 18.344 1.00 . A A . 7 CYS C 1 1 14 5893 1 1 7 CYS CA C 2.113 10.192 18.670 1.00 . A A . 7 CYS CA 1 1 14 5894 1 1 7 CYS CB C 1.672 8.727 18.688 1.00 . A A . 7 CYS CB 1 1 14 5895 1 1 7 CYS H H 2.602 9.953 20.715 1.00 . A A . 7 CYS H 1 1 14 5896 1 1 7 CYS HA H 2.865 10.323 17.907 1.00 . A A . 7 CYS HA 1 1 14 5897 1 1 7 CYS HB2 H 1.701 8.338 17.681 1.00 . A A . 7 CYS HB2 1 1 14 5898 1 1 7 CYS HB3 H 2.354 8.162 19.306 1.00 . A A . 7 CYS HB3 1 1 14 5899 1 1 7 CYS N N 2.705 10.559 19.951 1.00 . A A . 7 CYS N 1 1 14 5900 1 1 7 CYS O O 0.584 11.291 17.178 1.00 . A A . 7 CYS O 1 1 14 5901 1 1 7 CYS SG S -0.011 8.465 19.334 1.00 . A A . 7 CYS SG 1 1 14 5902 1 1 8 ALA C C -0.445 13.968 19.250 1.00 . A A . 8 ALA C 1 1 14 5903 1 1 8 ALA CA C -0.861 12.502 19.209 1.00 . A A . 8 ALA CA 1 1 14 5904 1 1 8 ALA CB C -1.908 12.218 20.276 1.00 . A A . 8 ALA CB 1 1 14 5905 1 1 8 ALA H H 0.607 11.427 20.289 1.00 . A A . 8 ALA H 1 1 14 5906 1 1 8 ALA HA H -1.299 12.289 18.244 1.00 . A A . 8 ALA HA 1 1 14 5907 1 1 8 ALA HB1 H -2.410 13.137 20.540 1.00 . A A . 8 ALA HB1 1 1 14 5908 1 1 8 ALA HB2 H -2.628 11.510 19.894 1.00 . A A . 8 ALA HB2 1 1 14 5909 1 1 8 ALA HB3 H -1.427 11.806 21.151 1.00 . A A . 8 ALA HB3 1 1 14 5910 1 1 8 ALA N N 0.290 11.625 19.384 1.00 . A A . 8 ALA N 1 1 14 5911 1 1 8 ALA O O -1.272 14.863 19.066 1.00 . A A . 8 ALA O 1 1 14 5912 1 1 9 ILE C C 1.976 15.983 18.225 1.00 . A A . 9 ILE C 1 1 14 5913 1 1 9 ILE CA C 1.363 15.566 19.557 1.00 . A A . 9 ILE CA 1 1 14 5914 1 1 9 ILE CB C 2.424 15.708 20.665 1.00 . A A . 9 ILE CB 1 1 14 5915 1 1 9 ILE CD1 C 2.698 15.630 23.194 1.00 . A A . 9 ILE CD1 1 1 14 5916 1 1 9 ILE CG1 C 1.868 15.212 22.001 1.00 . A A . 9 ILE CG1 1 1 14 5917 1 1 9 ILE CG2 C 2.879 17.155 20.779 1.00 . A A . 9 ILE CG2 1 1 14 5918 1 1 9 ILE H H 1.448 13.453 19.631 1.00 . A A . 9 ILE H 1 1 14 5919 1 1 9 ILE HA H 0.541 16.230 19.786 1.00 . A A . 9 ILE HA 1 1 14 5920 1 1 9 ILE HB H 3.278 15.108 20.393 1.00 . A A . 9 ILE HB 1 1 14 5921 1 1 9 ILE HD11 H 3.747 15.497 22.967 1.00 . A A . 9 ILE HD11 1 1 14 5922 1 1 9 ILE HD12 H 2.509 16.669 23.419 1.00 . A A . 9 ILE HD12 1 1 14 5923 1 1 9 ILE HD13 H 2.436 15.023 24.047 1.00 . A A . 9 ILE HD13 1 1 14 5924 1 1 9 ILE HG12 H 0.872 15.604 22.137 1.00 . A A . 9 ILE HG12 1 1 14 5925 1 1 9 ILE HG13 H 1.826 14.132 21.986 1.00 . A A . 9 ILE HG13 1 1 14 5926 1 1 9 ILE HG21 H 3.778 17.204 21.377 1.00 . A A . 9 ILE HG21 1 1 14 5927 1 1 9 ILE HG22 H 3.083 17.547 19.794 1.00 . A A . 9 ILE HG22 1 1 14 5928 1 1 9 ILE HG23 H 2.103 17.742 21.247 1.00 . A A . 9 ILE HG23 1 1 14 5929 1 1 9 ILE N N 0.839 14.208 19.493 1.00 . A A . 9 ILE N 1 1 14 5930 1 1 9 ILE O O 1.699 17.069 17.714 1.00 . A A . 9 ILE O 1 1 14 5931 1 1 10 LEU C C 2.696 14.746 15.237 1.00 . A A . 10 LEU C 1 1 14 5932 1 1 10 LEU CA C 3.461 15.388 16.390 1.00 . A A . 10 LEU CA 1 1 14 5933 1 1 10 LEU CB C 4.902 14.875 16.410 1.00 . A A . 10 LEU CB 1 1 14 5934 1 1 10 LEU CD1 C 7.362 15.256 16.114 1.00 . A A . 10 LEU CD1 1 1 14 5935 1 1 10 LEU CD2 C 5.728 16.463 14.655 1.00 . A A . 10 LEU CD2 1 1 14 5936 1 1 10 LEU CG C 5.982 15.893 16.042 1.00 . A A . 10 LEU CG 1 1 14 5937 1 1 10 LEU H H 2.991 14.264 18.120 1.00 . A A . 10 LEU H 1 1 14 5938 1 1 10 LEU HA H 3.471 16.459 16.248 1.00 . A A . 10 LEU HA 1 1 14 5939 1 1 10 LEU HB2 H 5.111 14.516 17.406 1.00 . A A . 10 LEU HB2 1 1 14 5940 1 1 10 LEU HB3 H 4.969 14.053 15.711 1.00 . A A . 10 LEU HB3 1 1 14 5941 1 1 10 LEU HD11 H 8.093 16.009 16.366 1.00 . A A . 10 LEU HD11 1 1 14 5942 1 1 10 LEU HD12 H 7.608 14.821 15.157 1.00 . A A . 10 LEU HD12 1 1 14 5943 1 1 10 LEU HD13 H 7.363 14.485 16.870 1.00 . A A . 10 LEU HD13 1 1 14 5944 1 1 10 LEU HD21 H 5.720 17.542 14.705 1.00 . A A . 10 LEU HD21 1 1 14 5945 1 1 10 LEU HD22 H 4.773 16.112 14.291 1.00 . A A . 10 LEU HD22 1 1 14 5946 1 1 10 LEU HD23 H 6.510 16.139 13.983 1.00 . A A . 10 LEU HD23 1 1 14 5947 1 1 10 LEU HG H 5.955 16.709 16.751 1.00 . A A . 10 LEU HG 1 1 14 5948 1 1 10 LEU N N 2.809 15.112 17.666 1.00 . A A . 10 LEU N 1 1 14 5949 1 1 10 LEU O O 3.238 14.546 14.149 1.00 . A A . 10 LEU O 1 1 14 5950 1 1 11 DAL C C 0.357 14.754 13.292 1.00 . A A . 11 DAL C 1 1 14 5951 1 1 11 DAL CA C 0.600 13.805 14.465 1.00 . A A . 11 DAL CA 1 1 14 5952 1 1 11 DAL CB C 1.255 12.523 13.963 1.00 . A A . 11 DAL CB 1 1 14 5953 1 1 11 DAL H H 1.052 14.608 16.366 1.00 . A A . 11 DAL H 1 1 14 5954 1 1 11 DAL HA H -0.347 13.560 14.921 1.00 . A A . 11 DAL HA 1 1 14 5955 1 1 11 DAL HB2 H 0.493 11.770 13.832 1.00 . A A . 11 DAL HB2 1 1 14 5956 1 1 11 DAL HB3 H 1.969 12.178 14.705 1.00 . A A . 11 DAL HB3 1 1 14 5957 1 1 11 DAL N N 1.436 14.427 15.479 1.00 . A A . 11 DAL N 1 1 14 5958 1 1 11 DAL O O 1.244 15.506 12.888 1.00 . A A . 11 DAL O 1 1 14 5959 1 1 12 LYS C C -0.543 16.920 11.723 1.00 . A A . 12 LYS C 1 1 14 5960 1 1 12 LYS CA C -1.219 15.556 11.620 1.00 . A A . 12 LYS CA 1 1 14 5961 1 1 12 LYS CB C -2.739 15.732 11.558 1.00 . A A . 12 LYS CB 1 1 14 5962 1 1 12 LYS CD C -4.826 16.436 12.765 1.00 . A A . 12 LYS CD 1 1 14 5963 1 1 12 LYS CE C -5.619 16.145 14.030 1.00 . A A . 12 LYS CE 1 1 14 5964 1 1 12 LYS CG C -3.374 16.013 12.909 1.00 . A A . 12 LYS CG 1 1 14 5965 1 1 12 LYS H H -1.519 14.087 13.114 1.00 . A A . 12 LYS H 1 1 14 5966 1 1 12 LYS HA H -0.885 15.070 10.716 1.00 . A A . 12 LYS HA 1 1 14 5967 1 1 12 LYS HB2 H -2.967 16.555 10.898 1.00 . A A . 12 LYS HB2 1 1 14 5968 1 1 12 LYS HB3 H -3.177 14.829 11.159 1.00 . A A . 12 LYS HB3 1 1 14 5969 1 1 12 LYS HD2 H -4.865 17.496 12.565 1.00 . A A . 12 LYS HD2 1 1 14 5970 1 1 12 LYS HD3 H -5.269 15.896 11.940 1.00 . A A . 12 LYS HD3 1 1 14 5971 1 1 12 LYS HE2 H -6.650 16.417 13.863 1.00 . A A . 12 LYS HE2 1 1 14 5972 1 1 12 LYS HE3 H -5.556 15.089 14.244 1.00 . A A . 12 LYS HE3 1 1 14 5973 1 1 12 LYS HG2 H -3.329 15.118 13.511 1.00 . A A . 12 LYS HG2 1 1 14 5974 1 1 12 LYS HG3 H -2.824 16.805 13.397 1.00 . A A . 12 LYS HG3 1 1 14 5975 1 1 12 LYS HZ1 H -4.652 16.261 15.878 1.00 . A A . 12 LYS HZ1 1 1 14 5976 1 1 12 LYS HZ2 H -5.878 17.409 15.672 1.00 . A A . 12 LYS HZ2 1 1 14 5977 1 1 12 LYS HZ3 H -4.394 17.606 14.885 1.00 . A A . 12 LYS HZ3 1 1 14 5978 1 1 12 LYS N N -0.854 14.707 12.747 1.00 . A A . 12 LYS N 1 1 14 5979 1 1 12 LYS NZ N -5.099 16.908 15.198 1.00 . A A . 12 LYS NZ 1 1 14 5980 1 1 12 LYS O O -0.384 17.479 12.808 1.00 . A A . 12 LYS O 1 1 14 5981 1 1 13 PRO C C -0.422 19.924 10.831 1.00 . A A . 13 PRO C 1 1 14 5982 1 1 13 PRO CA C 0.526 18.775 10.504 1.00 . A A . 13 PRO CA 1 1 14 5983 1 1 13 PRO CB C 0.993 18.864 9.049 1.00 . A A . 13 PRO CB 1 1 14 5984 1 1 13 PRO CD C -0.294 16.858 9.239 1.00 . A A . 13 PRO CD 1 1 14 5985 1 1 13 PRO CG C 0.062 17.976 8.298 1.00 . A A . 13 PRO CG 1 1 14 5986 1 1 13 PRO HA H 1.382 18.818 11.162 1.00 . A A . 13 PRO HA 1 1 14 5987 1 1 13 PRO HB2 H 0.925 19.887 8.709 1.00 . A A . 13 PRO HB2 1 1 14 5988 1 1 13 PRO HB3 H 2.013 18.520 8.973 1.00 . A A . 13 PRO HB3 1 1 14 5989 1 1 13 PRO HD2 H -1.314 16.541 9.078 1.00 . A A . 13 PRO HD2 1 1 14 5990 1 1 13 PRO HD3 H 0.385 16.029 9.113 1.00 . A A . 13 PRO HD3 1 1 14 5991 1 1 13 PRO HG2 H -0.823 18.526 8.017 1.00 . A A . 13 PRO HG2 1 1 14 5992 1 1 13 PRO HG3 H 0.556 17.584 7.421 1.00 . A A . 13 PRO HG3 1 1 14 5993 1 1 13 PRO N N -0.137 17.469 10.569 1.00 . A A . 13 PRO N 1 1 14 5994 1 1 13 PRO O O -1.521 19.708 11.344 1.00 . A A . 13 PRO O 1 1 14 5995 1 1 14 LEU C C -1.715 22.634 9.609 1.00 . A A . 14 LEU C 1 1 14 5996 1 1 14 LEU CA C -0.802 22.328 10.791 1.00 . A A . 14 LEU CA 1 1 14 5997 1 1 14 LEU CB C 0.096 23.531 11.082 1.00 . A A . 14 LEU CB 1 1 14 5998 1 1 14 LEU CD1 C 0.950 25.274 12.668 1.00 . A A . 14 LEU CD1 1 1 14 5999 1 1 14 LEU CD2 C -1.507 24.841 12.495 1.00 . A A . 14 LEU CD2 1 1 14 6000 1 1 14 LEU CG C -0.120 24.220 12.430 1.00 . A A . 14 LEU CG 1 1 14 6001 1 1 14 LEU H H 0.894 21.252 10.123 1.00 . A A . 14 LEU H 1 1 14 6002 1 1 14 LEU HA H -1.412 22.126 11.659 1.00 . A A . 14 LEU HA 1 1 14 6003 1 1 14 LEU HB2 H 1.121 23.196 11.042 1.00 . A A . 14 LEU HB2 1 1 14 6004 1 1 14 LEU HB3 H -0.072 24.263 10.305 1.00 . A A . 14 LEU HB3 1 1 14 6005 1 1 14 LEU HD11 H 0.624 25.949 13.445 1.00 . A A . 14 LEU HD11 1 1 14 6006 1 1 14 LEU HD12 H 1.118 25.829 11.757 1.00 . A A . 14 LEU HD12 1 1 14 6007 1 1 14 LEU HD13 H 1.869 24.793 12.971 1.00 . A A . 14 LEU HD13 1 1 14 6008 1 1 14 LEU HD21 H -1.711 25.162 13.506 1.00 . A A . 14 LEU HD21 1 1 14 6009 1 1 14 LEU HD22 H -2.243 24.110 12.194 1.00 . A A . 14 LEU HD22 1 1 14 6010 1 1 14 LEU HD23 H -1.553 25.692 11.831 1.00 . A A . 14 LEU HD23 1 1 14 6011 1 1 14 LEU HG H -0.044 23.484 13.219 1.00 . A A . 14 LEU HG 1 1 14 6012 1 1 14 LEU N N 0.009 21.144 10.530 1.00 . A A . 14 LEU N 1 1 14 6013 1 1 14 LEU O O -1.930 21.787 8.742 1.00 . A A . 14 LEU O 1 1 14 6014 1 1 15 GLY C C -4.504 23.614 8.606 1.00 . A A . 15 GLY C 1 1 14 6015 1 1 15 GLY CA C -3.131 24.248 8.497 1.00 . A A . 15 GLY CA 1 1 14 6016 1 1 15 GLY H H -2.042 24.485 10.298 1.00 . A A . 15 GLY H 1 1 14 6017 1 1 15 GLY HA2 H -3.240 25.322 8.512 1.00 . A A . 15 GLY HA2 1 1 14 6018 1 1 15 GLY HA3 H -2.685 23.954 7.558 1.00 . A A . 15 GLY HA3 1 1 14 6019 1 1 15 GLY N N -2.249 23.851 9.579 1.00 . A A . 15 GLY N 1 1 14 6020 1 1 15 GLY O O -5.021 23.069 7.633 1.00 . A A . 15 GLY O 1 1 14 6021 1 1 16 ASN C C -6.500 21.697 9.463 1.00 . A A . 16 ASN C 1 1 14 6022 1 1 16 ASN CA C -6.414 23.111 10.028 1.00 . A A . 16 ASN CA 1 1 14 6023 1 1 16 ASN CB C -7.495 23.992 9.396 1.00 . A A . 16 ASN CB 1 1 14 6024 1 1 16 ASN CG C -7.439 23.977 7.880 1.00 . A A . 16 ASN CG 1 1 14 6025 1 1 16 ASN H H -4.631 24.134 10.533 1.00 . A A . 16 ASN H 1 1 14 6026 1 1 16 ASN HA H -6.574 23.071 11.095 1.00 . A A . 16 ASN HA 1 1 14 6027 1 1 16 ASN HB2 H -8.467 23.635 9.704 1.00 . A A . 16 ASN HB2 1 1 14 6028 1 1 16 ASN HB3 H -7.365 25.009 9.733 1.00 . A A . 16 ASN HB3 1 1 14 6029 1 1 16 ASN HD21 H -8.716 22.454 7.823 1.00 . A A . 16 ASN HD21 1 1 14 6030 1 1 16 ASN HD22 H -8.163 23.029 6.291 1.00 . A A . 16 ASN HD22 1 1 14 6031 1 1 16 ASN N N -5.094 23.685 9.795 1.00 . A A . 16 ASN N 1 1 14 6032 1 1 16 ASN ND2 N -8.181 23.061 7.270 1.00 . A A . 16 ASN ND2 1 1 14 6033 1 1 16 ASN O O -5.484 21.087 9.131 1.00 . A A . 16 ASN O 1 1 14 6034 1 1 16 ASN OD1 O -6.736 24.780 7.266 1.00 . A A . 16 ASN OD1 1 1 14 6035 1 1 17 ASN C C -7.044 18.825 9.537 1.00 . A A . 17 ASN C 1 1 14 6036 1 1 17 ASN CA C -7.940 19.839 8.830 1.00 . A A . 17 ASN CA 1 1 14 6037 1 1 17 ASN CB C -7.674 19.808 7.324 1.00 . A A . 17 ASN CB 1 1 14 6038 1 1 17 ASN CG C -7.149 18.464 6.857 1.00 . A A . 17 ASN CG 1 1 14 6039 1 1 17 ASN H H -8.492 21.716 9.636 1.00 . A A . 17 ASN H 1 1 14 6040 1 1 17 ASN HA H -8.972 19.577 9.010 1.00 . A A . 17 ASN HA 1 1 14 6041 1 1 17 ASN HB2 H -8.594 20.016 6.798 1.00 . A A . 17 ASN HB2 1 1 14 6042 1 1 17 ASN HB3 H -6.944 20.564 7.077 1.00 . A A . 17 ASN HB3 1 1 14 6043 1 1 17 ASN HD21 H -6.116 19.344 5.404 1.00 . A A . 17 ASN HD21 1 1 14 6044 1 1 17 ASN HD22 H -5.979 17.624 5.487 1.00 . A A . 17 ASN HD22 1 1 14 6045 1 1 17 ASN N N -7.721 21.181 9.356 1.00 . A A . 17 ASN N 1 1 14 6046 1 1 17 ASN ND2 N -6.332 18.479 5.810 1.00 . A A . 17 ASN ND2 1 1 14 6047 1 1 17 ASN O O -7.457 18.183 10.501 1.00 . A A . 17 ASN O 1 1 14 6048 1 1 17 ASN OD1 O -7.475 17.424 7.430 1.00 . A A . 17 ASN OD1 1 1 14 6049 1 1 18 GLY C C -4.498 16.632 8.700 1.00 . A A . 18 GLY C 1 1 14 6050 1 1 18 GLY CA C -4.880 17.753 9.646 1.00 . A A . 18 GLY CA 1 1 14 6051 1 1 18 GLY H H -5.540 19.228 8.278 1.00 . A A . 18 GLY H 1 1 14 6052 1 1 18 GLY HA2 H -3.987 18.287 9.934 1.00 . A A . 18 GLY HA2 1 1 14 6053 1 1 18 GLY HA3 H -5.331 17.325 10.529 1.00 . A A . 18 GLY HA3 1 1 14 6054 1 1 18 GLY N N -5.815 18.689 9.050 1.00 . A A . 18 GLY N 1 1 14 6055 1 1 18 GLY O O -5.116 15.567 8.707 1.00 . A A . 18 GLY O 1 1 14 6056 1 1 19 TYR C C -2.390 14.681 7.637 1.00 . A A . 19 TYR C 1 1 14 6057 1 1 19 TYR CA C -3.019 15.874 6.923 1.00 . A A . 19 TYR CA 1 1 14 6058 1 1 19 TYR CB C -2.008 16.495 5.957 1.00 . A A . 19 TYR CB 1 1 14 6059 1 1 19 TYR CD1 C -3.129 15.741 3.823 1.00 . A A . 19 TYR CD1 1 1 14 6060 1 1 19 TYR CD2 C -0.806 15.284 4.095 1.00 . A A . 19 TYR CD2 1 1 14 6061 1 1 19 TYR CE1 C -3.108 15.132 2.583 1.00 . A A . 19 TYR CE1 1 1 14 6062 1 1 19 TYR CE2 C -0.775 14.675 2.856 1.00 . A A . 19 TYR CE2 1 1 14 6063 1 1 19 TYR CG C -1.980 15.828 4.600 1.00 . A A . 19 TYR CG 1 1 14 6064 1 1 19 TYR CZ C -1.929 14.601 2.104 1.00 . A A . 19 TYR CZ 1 1 14 6065 1 1 19 TYR H H -3.026 17.739 7.924 1.00 . A A . 19 TYR H 1 1 14 6066 1 1 19 TYR HA H -3.876 15.533 6.362 1.00 . A A . 19 TYR HA 1 1 14 6067 1 1 19 TYR HB2 H -2.254 17.535 5.809 1.00 . A A . 19 TYR HB2 1 1 14 6068 1 1 19 TYR HB3 H -1.019 16.420 6.384 1.00 . A A . 19 TYR HB3 1 1 14 6069 1 1 19 TYR HD1 H -4.051 16.158 4.201 1.00 . A A . 19 TYR HD1 1 1 14 6070 1 1 19 TYR HD2 H 0.096 15.343 4.687 1.00 . A A . 19 TYR HD2 1 1 14 6071 1 1 19 TYR HE1 H -4.012 15.075 1.994 1.00 . A A . 19 TYR HE1 1 1 14 6072 1 1 19 TYR HE2 H 0.148 14.258 2.481 1.00 . A A . 19 TYR HE2 1 1 14 6073 1 1 19 TYR HH H -2.764 13.612 0.683 1.00 . A A . 19 TYR HH 1 1 14 6074 1 1 19 TYR N N -3.479 16.871 7.883 1.00 . A A . 19 TYR N 1 1 14 6075 1 1 19 TYR O O -2.410 14.596 8.865 1.00 . A A . 19 TYR O 1 1 14 6076 1 1 19 TYR OH O -1.903 13.994 0.869 1.00 . A A . 19 TYR OH 1 1 14 6077 1 1 20 LEU C C 0.128 12.924 8.082 1.00 . A A . 20 LEU C 1 1 14 6078 1 1 20 LEU CA C -1.197 12.571 7.413 1.00 . A A . 20 LEU CA 1 1 14 6079 1 1 20 LEU CB C -0.965 11.533 6.314 1.00 . A A . 20 LEU CB 1 1 14 6080 1 1 20 LEU CD1 C -1.792 9.581 7.653 1.00 . A A . 20 LEU CD1 1 1 14 6081 1 1 20 LEU CD2 C -0.420 9.193 5.598 1.00 . A A . 20 LEU CD2 1 1 14 6082 1 1 20 LEU CG C -0.659 10.111 6.787 1.00 . A A . 20 LEU CG 1 1 14 6083 1 1 20 LEU H H -1.848 13.884 5.886 1.00 . A A . 20 LEU H 1 1 14 6084 1 1 20 LEU HA H -1.862 12.156 8.155 1.00 . A A . 20 LEU HA 1 1 14 6085 1 1 20 LEU HB2 H -1.855 11.493 5.704 1.00 . A A . 20 LEU HB2 1 1 14 6086 1 1 20 LEU HB3 H -0.133 11.869 5.712 1.00 . A A . 20 LEU HB3 1 1 14 6087 1 1 20 LEU HD11 H -2.598 10.299 7.669 1.00 . A A . 20 LEU HD11 1 1 14 6088 1 1 20 LEU HD12 H -1.432 9.421 8.658 1.00 . A A . 20 LEU HD12 1 1 14 6089 1 1 20 LEU HD13 H -2.149 8.647 7.245 1.00 . A A . 20 LEU HD13 1 1 14 6090 1 1 20 LEU HD21 H 0.057 8.284 5.935 1.00 . A A . 20 LEU HD21 1 1 14 6091 1 1 20 LEU HD22 H 0.218 9.690 4.882 1.00 . A A . 20 LEU HD22 1 1 14 6092 1 1 20 LEU HD23 H -1.365 8.953 5.132 1.00 . A A . 20 LEU HD23 1 1 14 6093 1 1 20 LEU HG H 0.240 10.124 7.387 1.00 . A A . 20 LEU HG 1 1 14 6094 1 1 20 LEU N N -1.833 13.761 6.857 1.00 . A A . 20 LEU N 1 1 14 6095 1 1 20 LEU O O 0.689 13.995 7.847 1.00 . A A . 20 LEU O 1 1 14 6096 1 1 21 CYS C C 3.057 11.686 8.807 1.00 . A A . 21 CYS C 1 1 14 6097 1 1 21 CYS CA C 1.884 12.229 9.617 1.00 . A A . 21 CYS CA 1 1 14 6098 1 1 21 CYS CB C 1.845 11.558 10.992 1.00 . A A . 21 CYS CB 1 1 14 6099 1 1 21 CYS H H 0.131 11.181 9.062 1.00 . A A . 21 CYS H 1 1 14 6100 1 1 21 CYS HA H 2.015 13.292 9.749 1.00 . A A . 21 CYS HA 1 1 14 6101 1 1 21 CYS HB2 H 0.874 11.108 11.137 1.00 . A A . 21 CYS HB2 1 1 14 6102 1 1 21 CYS HB3 H 2.602 10.788 11.030 1.00 . A A . 21 CYS HB3 1 1 14 6103 1 1 21 CYS N N 0.624 12.015 8.915 1.00 . A A . 21 CYS N 1 1 14 6104 1 1 21 CYS O O 2.913 11.372 7.624 1.00 . A A . 21 CYS O 1 1 14 6105 1 1 21 CYS SG S 2.141 12.696 12.383 1.00 . A A . 21 CYS SG 1 1 14 6106 1 1 22 . C C 5.673 11.843 7.507 1.00 . A A . 22 DBB C 1 1 14 6107 1 1 22 . CA C 5.409 11.084 8.794 1.00 . A A . 22 DBB CA 1 1 14 6108 1 1 22 . CB C 6.633 11.204 9.725 1.00 . A A . 22 DBB CB 1 1 14 6109 1 1 22 . CG C 6.306 10.525 11.055 1.00 . A A . 22 DBB CG 1 1 14 6110 1 1 22 . H H 4.256 11.848 10.397 1.00 . A A . 22 DBB H 1 1 14 6111 1 1 22 . HA H 5.260 10.040 8.561 1.00 . A A . 22 DBB HA 1 1 14 6112 1 1 22 . HB3 H 6.782 12.261 9.916 1.00 . A A . 22 DBB HB3 1 1 14 6113 1 1 22 . HG1 H 6.667 11.136 11.867 1.00 . A A . 22 DBB HG1 1 1 14 6114 1 1 22 . HG2 H 6.779 9.556 11.090 1.00 . A A . 22 DBB HG2 1 1 14 6115 1 1 22 . HG3 H 5.235 10.411 11.139 1.00 . A A . 22 DBB HG3 1 1 14 6116 1 1 22 . N N 4.209 11.578 9.448 1.00 . A A . 22 DBB N 1 1 14 6117 1 1 22 . O O 6.159 11.273 6.529 1.00 . A A . 22 DBB O 1 1 14 6118 1 1 23 VAL C C 6.272 15.241 6.660 1.00 . A A . 23 VAL C 1 1 14 6119 1 1 23 VAL CA C 5.518 13.961 6.318 1.00 . A A . 23 VAL CA 1 1 14 6120 1 1 23 VAL CB C 4.168 14.331 5.675 1.00 . A A . 23 VAL CB 1 1 14 6121 1 1 23 VAL CG1 C 4.376 14.874 4.270 1.00 . A A . 23 VAL CG1 1 1 14 6122 1 1 23 VAL CG2 C 3.239 13.126 5.657 1.00 . A A . 23 VAL CG2 1 1 14 6123 1 1 23 VAL H H 4.950 13.525 8.310 1.00 . A A . 23 VAL H 1 1 14 6124 1 1 23 VAL HA H 6.093 13.397 5.598 1.00 . A A . 23 VAL HA 1 1 14 6125 1 1 23 VAL HB H 3.708 15.104 6.272 1.00 . A A . 23 VAL HB 1 1 14 6126 1 1 23 VAL HG11 H 3.559 15.533 4.014 1.00 . A A . 23 VAL HG11 1 1 14 6127 1 1 23 VAL HG12 H 5.307 15.421 4.230 1.00 . A A . 23 VAL HG12 1 1 14 6128 1 1 23 VAL HG13 H 4.410 14.054 3.568 1.00 . A A . 23 VAL HG13 1 1 14 6129 1 1 23 VAL HG21 H 2.510 13.221 6.448 1.00 . A A . 23 VAL HG21 1 1 14 6130 1 1 23 VAL HG22 H 2.734 13.076 4.704 1.00 . A A . 23 VAL HG22 1 1 14 6131 1 1 23 VAL HG23 H 3.816 12.224 5.807 1.00 . A A . 23 VAL HG23 1 1 14 6132 1 1 23 VAL N N 5.333 13.128 7.500 1.00 . A A . 23 VAL N 1 1 14 6133 1 1 23 VAL O O 6.118 15.789 7.753 1.00 . A A . 23 VAL O 1 1 14 6134 1 1 24 . C C 9.066 16.639 6.813 1.00 . A A . 24 DBB C 1 1 14 6135 1 1 24 . CA C 7.868 16.915 5.923 1.00 . A A . 24 DBB CA 1 1 14 6136 1 1 24 . CB C 8.349 17.486 4.573 1.00 . A A . 24 DBB CB 1 1 14 6137 1 1 24 . CG C 7.356 17.075 3.486 1.00 . A A . 24 DBB CG 1 1 14 6138 1 1 24 . H H 7.161 15.220 4.871 1.00 . A A . 24 DBB H 1 1 14 6139 1 1 24 . HA H 7.240 17.652 6.400 1.00 . A A . 24 DBB HA 1 1 14 6140 1 1 24 . HB3 H 9.300 17.017 4.352 1.00 . A A . 24 DBB HB3 1 1 14 6141 1 1 24 . HG1 H 7.552 16.057 3.189 1.00 . A A . 24 DBB HG1 1 1 14 6142 1 1 24 . HG2 H 7.462 17.729 2.635 1.00 . A A . 24 DBB HG2 1 1 14 6143 1 1 24 . HG3 H 6.352 17.149 3.878 1.00 . A A . 24 DBB HG3 1 1 14 6144 1 1 24 . N N 7.083 15.708 5.726 1.00 . A A . 24 DBB N 1 1 14 6145 1 1 24 . O O 9.254 15.517 7.285 1.00 . A A . 24 DBB O 1 1 14 6146 1 1 25 LYS C C 10.945 16.353 8.820 1.00 . A A . 25 LYS C 1 1 14 6147 1 1 25 LYS CA C 11.086 17.520 7.847 1.00 . A A . 25 LYS CA 1 1 14 6148 1 1 25 LYS CB C 11.354 18.813 8.620 1.00 . A A . 25 LYS CB 1 1 14 6149 1 1 25 LYS CD C 13.856 18.638 8.487 1.00 . A A . 25 LYS CD 1 1 14 6150 1 1 25 LYS CE C 13.989 18.315 9.967 1.00 . A A . 25 LYS CE 1 1 14 6151 1 1 25 LYS CG C 12.641 19.509 8.214 1.00 . A A . 25 LYS CG 1 1 14 6152 1 1 25 LYS H H 9.685 18.530 6.623 1.00 . A A . 25 LYS H 1 1 14 6153 1 1 25 LYS HA H 11.919 17.325 7.188 1.00 . A A . 25 LYS HA 1 1 14 6154 1 1 25 LYS HB2 H 10.532 19.494 8.454 1.00 . A A . 25 LYS HB2 1 1 14 6155 1 1 25 LYS HB3 H 11.411 18.582 9.675 1.00 . A A . 25 LYS HB3 1 1 14 6156 1 1 25 LYS HD2 H 13.757 17.714 7.936 1.00 . A A . 25 LYS HD2 1 1 14 6157 1 1 25 LYS HD3 H 14.744 19.161 8.161 1.00 . A A . 25 LYS HD3 1 1 14 6158 1 1 25 LYS HE2 H 13.250 17.572 10.228 1.00 . A A . 25 LYS HE2 1 1 14 6159 1 1 25 LYS HE3 H 14.977 17.918 10.148 1.00 . A A . 25 LYS HE3 1 1 14 6160 1 1 25 LYS HG2 H 12.602 19.732 7.158 1.00 . A A . 25 LYS HG2 1 1 14 6161 1 1 25 LYS HG3 H 12.735 20.428 8.775 1.00 . A A . 25 LYS HG3 1 1 14 6162 1 1 25 LYS HZ1 H 14.102 20.372 10.313 1.00 . A A . 25 LYS HZ1 1 1 14 6163 1 1 25 LYS HZ2 H 14.332 19.430 11.700 1.00 . A A . 25 LYS HZ2 1 1 14 6164 1 1 25 LYS HZ3 H 12.779 19.624 11.057 1.00 . A A . 25 LYS HZ3 1 1 14 6165 1 1 25 LYS N N 9.889 17.660 7.027 1.00 . A A . 25 LYS N 1 1 14 6166 1 1 25 LYS NZ N 13.786 19.519 10.819 1.00 . A A . 25 LYS NZ 1 1 14 6167 1 1 25 LYS O O 11.916 15.654 9.109 1.00 . A A . 25 LYS O 1 1 14 6168 1 1 26 GLU C C 10.011 13.742 9.733 1.00 . A A . 26 GLU C 1 1 14 6169 1 1 26 GLU CA C 9.464 15.065 10.259 1.00 . A A . 26 GLU CA 1 1 14 6170 1 1 26 GLU CB C 7.961 14.943 10.518 1.00 . A A . 26 GLU CB 1 1 14 6171 1 1 26 GLU CD C 5.836 16.179 11.098 1.00 . A A . 26 GLU CD 1 1 14 6172 1 1 26 GLU CG C 7.232 16.276 10.513 1.00 . A A . 26 GLU CG 1 1 14 6173 1 1 26 GLU H H 8.997 16.739 9.051 1.00 . A A . 26 GLU H 1 1 14 6174 1 1 26 GLU HA H 9.961 15.302 11.188 1.00 . A A . 26 GLU HA 1 1 14 6175 1 1 26 GLU HB2 H 7.527 14.315 9.754 1.00 . A A . 26 GLU HB2 1 1 14 6176 1 1 26 GLU HB3 H 7.811 14.478 11.481 1.00 . A A . 26 GLU HB3 1 1 14 6177 1 1 26 GLU HG2 H 7.801 16.985 11.095 1.00 . A A . 26 GLU HG2 1 1 14 6178 1 1 26 GLU HG3 H 7.156 16.626 9.494 1.00 . A A . 26 GLU HG3 1 1 14 6179 1 1 26 GLU N N 9.730 16.148 9.320 1.00 . A A . 26 GLU N 1 1 14 6180 1 1 26 GLU O O 10.701 13.014 10.447 1.00 . A A . 26 GLU O 1 1 14 6181 1 1 26 GLU OE1 O 5.657 15.432 12.083 1.00 . A A . 26 GLU OE1 1 1 14 6182 1 1 26 GLU OE2 O 4.924 16.849 10.571 1.00 . A A . 26 GLU OE2 1 1 14 6183 1 1 27 CYS C C 10.934 12.492 6.576 1.00 . A A . 27 CYS C 1 1 14 6184 1 1 27 CYS CA C 10.154 12.200 7.855 1.00 . A A . 27 CYS CA 1 1 14 6185 1 1 27 CYS CB C 8.964 11.291 7.542 1.00 . A A . 27 CYS CB 1 1 14 6186 1 1 27 CYS H H 9.143 14.057 7.959 1.00 . A A . 27 CYS H 1 1 14 6187 1 1 27 CYS HA H 10.806 11.697 8.552 1.00 . A A . 27 CYS HA 1 1 14 6188 1 1 27 CYS HB2 H 8.212 11.863 7.016 1.00 . A A . 27 CYS HB2 1 1 14 6189 1 1 27 CYS HB3 H 9.296 10.479 6.913 1.00 . A A . 27 CYS HB3 1 1 14 6190 1 1 27 CYS N N 9.697 13.436 8.478 1.00 . A A . 27 CYS N 1 1 14 6191 1 1 27 CYS O O 11.640 11.629 6.057 1.00 . A A . 27 CYS O 1 1 14 6192 1 1 27 CYS SG S 8.175 10.565 9.015 1.00 . A A . 27 CYS SG 1 1 14 6193 1 1 28 MET C C 12.268 15.419 5.081 1.00 . A A . 28 MET C 1 1 14 6194 1 1 28 MET CA C 11.495 14.123 4.859 1.00 . A A . 28 MET CA 1 1 14 6195 1 1 28 MET CB C 10.497 14.301 3.712 1.00 . A A . 28 MET CB 1 1 14 6196 1 1 28 MET CE C 10.881 11.919 0.391 1.00 . A A . 28 MET CE 1 1 14 6197 1 1 28 MET CG C 11.038 13.861 2.362 1.00 . A A . 28 MET CG 1 1 14 6198 1 1 28 MET H H 10.224 14.362 6.534 1.00 . A A . 28 MET H 1 1 14 6199 1 1 28 MET HA H 12.193 13.342 4.598 1.00 . A A . 28 MET HA 1 1 14 6200 1 1 28 MET HB2 H 9.612 13.721 3.928 1.00 . A A . 28 MET HB2 1 1 14 6201 1 1 28 MET HB3 H 10.227 15.344 3.644 1.00 . A A . 28 MET HB3 1 1 14 6202 1 1 28 MET HE1 H 10.191 12.668 0.030 1.00 . A A . 28 MET HE1 1 1 14 6203 1 1 28 MET HE2 H 11.845 12.063 -0.074 1.00 . A A . 28 MET HE2 1 1 14 6204 1 1 28 MET HE3 H 10.506 10.936 0.146 1.00 . A A . 28 MET HE3 1 1 14 6205 1 1 28 MET HG2 H 10.423 14.289 1.585 1.00 . A A . 28 MET HG2 1 1 14 6206 1 1 28 MET HG3 H 12.049 14.225 2.259 1.00 . A A . 28 MET HG3 1 1 14 6207 1 1 28 MET N N 10.801 13.716 6.075 1.00 . A A . 28 MET N 1 1 14 6208 1 1 28 MET O O 11.690 16.484 5.300 1.00 . A A . 28 MET O 1 1 14 6209 1 1 28 MET SD S 11.046 12.068 2.168 1.00 . A A . 28 MET SD 1 1 14 6210 1 1 29 PRO C C 14.405 17.474 4.059 1.00 . A A . 29 PRO C 1 1 14 6211 1 1 29 PRO CA C 14.485 16.485 5.217 1.00 . A A . 29 PRO CA 1 1 14 6212 1 1 29 PRO CB C 15.880 15.861 5.291 1.00 . A A . 29 PRO CB 1 1 14 6213 1 1 29 PRO CD C 14.360 14.092 4.768 1.00 . A A . 29 PRO CD 1 1 14 6214 1 1 29 PRO CG C 15.763 14.581 4.537 1.00 . A A . 29 PRO CG 1 1 14 6215 1 1 29 PRO HA H 14.269 16.999 6.143 1.00 . A A . 29 PRO HA 1 1 14 6216 1 1 29 PRO HB2 H 16.600 16.525 4.834 1.00 . A A . 29 PRO HB2 1 1 14 6217 1 1 29 PRO HB3 H 16.147 15.687 6.323 1.00 . A A . 29 PRO HB3 1 1 14 6218 1 1 29 PRO HD2 H 13.987 13.587 3.889 1.00 . A A . 29 PRO HD2 1 1 14 6219 1 1 29 PRO HD3 H 14.326 13.435 5.625 1.00 . A A . 29 PRO HD3 1 1 14 6220 1 1 29 PRO HG2 H 15.930 14.758 3.485 1.00 . A A . 29 PRO HG2 1 1 14 6221 1 1 29 PRO HG3 H 16.477 13.865 4.916 1.00 . A A . 29 PRO HG3 1 1 14 6222 1 1 29 PRO N N 13.605 15.329 5.025 1.00 . A A . 29 PRO N 1 1 14 6223 1 1 29 PRO O O 14.864 18.611 4.168 1.00 . A A . 29 PRO O 1 1 14 6224 1 1 30 SER C C 12.525 18.863 1.939 1.00 . A A . 30 SER C 1 1 14 6225 1 1 30 SER CA C 13.681 17.880 1.771 1.00 . A A . 30 SER CA 1 1 14 6226 1 1 30 SER CB C 13.458 17.021 0.525 1.00 . A A . 30 SER CB 1 1 14 6227 1 1 30 SER H H 13.471 16.118 2.925 1.00 . A A . 30 SER H 1 1 14 6228 1 1 30 SER HA H 14.598 18.438 1.654 1.00 . A A . 30 SER HA 1 1 14 6229 1 1 30 SER HB2 H 13.872 16.038 0.689 1.00 . A A . 30 SER HB2 1 1 14 6230 1 1 30 SER HB3 H 12.398 16.938 0.333 1.00 . A A . 30 SER HB3 1 1 14 6231 1 1 30 SER HG H 13.412 17.936 -1.207 1.00 . A A . 30 SER HG 1 1 14 6232 1 1 30 SER N N 13.818 17.034 2.951 1.00 . A A . 30 SER N 1 1 14 6233 1 1 30 SER O O 11.914 19.293 0.960 1.00 . A A . 30 SER O 1 1 14 6234 1 1 30 SER OG O 14.083 17.596 -0.610 1.00 . A A . 30 SER OG 1 1 14 6235 1 1 31 CYS C C 11.678 21.572 3.598 1.00 . A A . 31 CYS C 1 1 14 6236 1 1 31 CYS CA C 11.150 20.145 3.485 1.00 . A A . 31 CYS CA 1 1 14 6237 1 1 31 CYS CB C 10.449 19.744 4.784 1.00 . A A . 31 CYS CB 1 1 14 6238 1 1 31 CYS H H 12.755 18.837 3.925 1.00 . A A . 31 CYS H 1 1 14 6239 1 1 31 CYS HA H 10.440 20.100 2.673 1.00 . A A . 31 CYS HA 1 1 14 6240 1 1 31 CYS HB2 H 10.947 18.882 5.202 1.00 . A A . 31 CYS HB2 1 1 14 6241 1 1 31 CYS HB3 H 10.510 20.564 5.485 1.00 . A A . 31 CYS HB3 1 1 14 6242 1 1 31 CYS N N 12.232 19.214 3.186 1.00 . A A . 31 CYS N 1 1 14 6243 1 1 31 CYS O O 12.840 21.791 3.936 1.00 . A A . 31 CYS O 1 1 14 6244 1 1 31 CYS SG S 8.689 19.320 4.578 1.00 . A A . 31 CYS SG 1 1 14 6245 1 1 32 ASN C C 10.873 24.529 4.755 1.00 . A A . 32 ASN C 1 1 14 6246 1 1 32 ASN CA C 11.191 23.948 3.381 1.00 . A A . 32 ASN CA 1 1 14 6247 1 1 32 ASN CB C 10.466 24.746 2.297 1.00 . A A . 32 ASN CB 1 1 14 6248 1 1 32 ASN CG C 8.985 24.903 2.587 1.00 . A A . 32 ASN CG 1 1 14 6249 1 1 32 ASN H H 9.899 22.304 3.049 1.00 . A A . 32 ASN H 1 1 14 6250 1 1 32 ASN HA H 12.255 24.013 3.213 1.00 . A A . 32 ASN HA 1 1 14 6251 1 1 32 ASN HB2 H 10.906 25.730 2.228 1.00 . A A . 32 ASN HB2 1 1 14 6252 1 1 32 ASN HB3 H 10.576 24.239 1.350 1.00 . A A . 32 ASN HB3 1 1 14 6253 1 1 32 ASN HD21 H 8.845 26.342 1.221 1.00 . A A . 32 ASN HD21 1 1 14 6254 1 1 32 ASN HD22 H 7.381 25.947 2.049 1.00 . A A . 32 ASN HD22 1 1 14 6255 1 1 32 ASN N N 10.813 22.541 3.312 1.00 . A A . 32 ASN N 1 1 14 6256 1 1 32 ASN ND2 N 8.339 25.824 1.881 1.00 . A A . 32 ASN ND2 1 1 14 6257 1 1 32 ASN O O 10.920 25.743 4.952 1.00 . A A . 32 ASN O 1 1 14 6258 1 1 32 ASN OD1 O 8.430 24.206 3.436 1.00 . A A . 32 ASN OD1 1 1 15 6259 1 1 1 2KT C1 C -0.791 3.558 23.487 1.00 . A A . 1 2KT C1 1 1 15 6260 1 1 1 2KT C2 C -1.985 3.076 23.855 1.00 . A A . 1 2KT C2 1 1 15 6261 1 1 1 2KT C3 C -2.758 3.778 24.582 1.00 . A A . 1 2KT C3 1 1 15 6262 1 1 1 2KT C4 C -3.792 4.237 23.963 1.00 . A A . 1 2KT C4 1 1 15 6263 1 1 1 2KT H31 H -2.444 4.655 24.945 1.00 . A A . 1 2KT H31 1 1 15 6264 1 1 1 2KT H32 H -3.111 3.406 25.440 1.00 . A A . 1 2KT H32 1 1 15 6265 1 1 1 2KT H41 H -4.578 4.573 24.482 1.00 . A A . 1 2KT H41 1 1 15 6266 1 1 1 2KT H42 H -3.700 5.025 23.353 1.00 . A A . 1 2KT H42 1 1 15 6267 1 1 1 2KT H43 H -4.300 3.650 23.333 1.00 . A A . 1 2KT H43 1 1 15 6268 1 1 1 2KT O1 O -0.464 4.670 23.903 1.00 . A A . 1 2KT O1 1 1 15 6269 1 1 1 2KT O3 O -2.308 1.947 23.475 1.00 . A A . 1 2KT O3 1 1 15 6270 1 1 2 ILE C C 1.187 4.654 21.569 1.00 . A A . 2 ILE C 1 1 15 6271 1 1 2 ILE CA C 1.293 3.298 22.258 1.00 . A A . 2 ILE CA 1 1 15 6272 1 1 2 ILE CB C 1.961 2.297 21.297 1.00 . A A . 2 ILE CB 1 1 15 6273 1 1 2 ILE CD1 C 2.568 -0.170 21.143 1.00 . A A . 2 ILE CD1 1 1 15 6274 1 1 2 ILE CG1 C 1.610 0.862 21.696 1.00 . A A . 2 ILE CG1 1 1 15 6275 1 1 2 ILE CG2 C 3.469 2.496 21.289 1.00 . A A . 2 ILE CG2 1 1 15 6276 1 1 2 ILE H H -0.331 1.948 22.396 1.00 . A A . 2 ILE H 1 1 15 6277 1 1 2 ILE HA H 1.919 3.399 23.133 1.00 . A A . 2 ILE HA 1 1 15 6278 1 1 2 ILE HB H 1.592 2.487 20.301 1.00 . A A . 2 ILE HB 1 1 15 6279 1 1 2 ILE HD11 H 3.163 0.274 20.359 1.00 . A A . 2 ILE HD11 1 1 15 6280 1 1 2 ILE HD12 H 3.218 -0.518 21.933 1.00 . A A . 2 ILE HD12 1 1 15 6281 1 1 2 ILE HD13 H 2.009 -1.003 20.743 1.00 . A A . 2 ILE HD13 1 1 15 6282 1 1 2 ILE HG12 H 1.619 0.781 22.771 1.00 . A A . 2 ILE HG12 1 1 15 6283 1 1 2 ILE HG13 H 0.620 0.627 21.330 1.00 . A A . 2 ILE HG13 1 1 15 6284 1 1 2 ILE HG21 H 3.825 2.509 20.269 1.00 . A A . 2 ILE HG21 1 1 15 6285 1 1 2 ILE HG22 H 3.711 3.434 21.765 1.00 . A A . 2 ILE HG22 1 1 15 6286 1 1 2 ILE HG23 H 3.942 1.687 21.825 1.00 . A A . 2 ILE HG23 1 1 15 6287 1 1 2 ILE N N -0.015 2.826 22.695 1.00 . A A . 2 ILE N 1 1 15 6288 1 1 2 ILE O O 0.490 4.794 20.562 1.00 . A A . 2 ILE O 1 1 15 6289 1 1 3 . C C 1.914 8.022 22.667 1.00 . A A . 3 DBB C 1 1 15 6290 1 1 3 . CA C 1.862 6.985 21.561 1.00 . A A . 3 DBB CA 1 1 15 6291 1 1 3 . CB C 3.046 7.199 20.596 1.00 . A A . 3 DBB CB 1 1 15 6292 1 1 3 . CG C 3.068 6.053 19.585 1.00 . A A . 3 DBB CG 1 1 15 6293 1 1 3 . H H 2.417 5.460 22.920 1.00 . A A . 3 DBB H 1 1 15 6294 1 1 3 . HA H 0.944 7.110 21.006 1.00 . A A . 3 DBB HA 1 1 15 6295 1 1 3 . HB3 H 3.952 7.139 21.188 1.00 . A A . 3 DBB HB3 1 1 15 6296 1 1 3 . HG1 H 2.079 5.916 19.178 1.00 . A A . 3 DBB HG1 1 1 15 6297 1 1 3 . HG2 H 3.388 5.146 20.074 1.00 . A A . 3 DBB HG2 1 1 15 6298 1 1 3 . HG3 H 3.755 6.298 18.787 1.00 . A A . 3 DBB HG3 1 1 15 6299 1 1 3 . N N 1.878 5.641 22.113 1.00 . A A . 3 DBB N 1 1 15 6300 1 1 3 . O O 2.257 9.181 22.427 1.00 . A A . 3 DBB O 1 1 15 6301 1 1 4 LEU C C 2.613 9.594 24.874 1.00 . A A . 4 LEU C 1 1 15 6302 1 1 4 LEU CA C 1.544 8.516 25.022 1.00 . A A . 4 LEU CA 1 1 15 6303 1 1 4 LEU CB C 1.766 7.735 26.318 1.00 . A A . 4 LEU CB 1 1 15 6304 1 1 4 LEU CD1 C 0.107 5.856 26.333 1.00 . A A . 4 LEU CD1 1 1 15 6305 1 1 4 LEU CD2 C 0.739 6.979 28.477 1.00 . A A . 4 LEU CD2 1 1 15 6306 1 1 4 LEU CG C 0.511 7.169 26.984 1.00 . A A . 4 LEU CG 1 1 15 6307 1 1 4 LEU H H 1.293 6.676 24.008 1.00 . A A . 4 LEU H 1 1 15 6308 1 1 4 LEU HA H 0.574 8.991 25.058 1.00 . A A . 4 LEU HA 1 1 15 6309 1 1 4 LEU HB2 H 2.424 6.909 26.098 1.00 . A A . 4 LEU HB2 1 1 15 6310 1 1 4 LEU HB3 H 2.246 8.398 27.024 1.00 . A A . 4 LEU HB3 1 1 15 6311 1 1 4 LEU HD11 H -0.201 5.156 27.095 1.00 . A A . 4 LEU HD11 1 1 15 6312 1 1 4 LEU HD12 H 0.948 5.450 25.790 1.00 . A A . 4 LEU HD12 1 1 15 6313 1 1 4 LEU HD13 H -0.711 6.030 25.650 1.00 . A A . 4 LEU HD13 1 1 15 6314 1 1 4 LEU HD21 H 0.693 5.927 28.717 1.00 . A A . 4 LEU HD21 1 1 15 6315 1 1 4 LEU HD22 H -0.024 7.509 29.028 1.00 . A A . 4 LEU HD22 1 1 15 6316 1 1 4 LEU HD23 H 1.711 7.367 28.745 1.00 . A A . 4 LEU HD23 1 1 15 6317 1 1 4 LEU HG H -0.303 7.869 26.856 1.00 . A A . 4 LEU HG 1 1 15 6318 1 1 4 LEU N N 1.556 7.611 23.878 1.00 . A A . 4 LEU N 1 1 15 6319 1 1 4 LEU O O 3.777 9.277 24.608 1.00 . A A . 4 LEU O 1 1 15 6320 1 1 5 DHA C C 2.873 12.903 23.975 1.00 . A A . 5 DHA C 1 1 15 6321 1 1 5 DHA CA C 3.086 11.899 24.945 1.00 . A A . 5 DHA CA 1 1 15 6322 1 1 5 DHA CB C 4.125 11.989 25.784 1.00 . A A . 5 DHA CB 1 1 15 6323 1 1 5 DHA H H 1.263 10.972 25.257 1.00 . A A . 5 DHA H 1 1 15 6324 1 1 5 DHA HB1 H 4.284 11.228 26.534 1.00 . A A . 5 DHA HB1 1 1 15 6325 1 1 5 DHA HB2 H 4.784 12.837 25.735 1.00 . A A . 5 DHA HB2 1 1 15 6326 1 1 5 DHA N N 2.209 10.850 25.050 1.00 . A A . 5 DHA N 1 1 15 6327 1 1 5 DHA O O 2.050 13.806 24.160 1.00 . A A . 5 DHA O 1 1 15 6328 1 1 6 DBU C C 2.730 13.164 20.523 1.00 . A A . 6 DBU C 1 1 15 6329 1 1 6 DBU CA C 3.355 13.639 21.823 1.00 . A A . 6 DBU CA 1 1 15 6330 1 1 6 DBU CB C 3.712 14.925 21.967 1.00 . A A . 6 DBU CB 1 1 15 6331 1 1 6 DBU CG C 4.325 15.370 23.263 1.00 . A A . 6 DBU CG 1 1 15 6332 1 1 6 DBU H1 H 4.175 12.000 22.797 1.00 . A A . 6 DBU H1 1 1 15 6333 1 1 6 DBU HB1 H 3.565 15.624 21.156 1.00 . A A . 6 DBU HB1 1 1 15 6334 1 1 6 DBU HG1 H 4.976 14.596 23.638 1.00 . A A . 6 DBU HG1 1 1 15 6335 1 1 6 DBU HG2 H 3.547 15.555 23.986 1.00 . A A . 6 DBU HG2 1 1 15 6336 1 1 6 DBU HG3 H 4.891 16.275 23.095 1.00 . A A . 6 DBU HG3 1 1 15 6337 1 1 6 DBU N N 3.544 12.751 22.839 1.00 . A A . 6 DBU N 1 1 15 6338 1 1 6 DBU O O 2.616 13.917 19.556 1.00 . A A . 6 DBU O 1 1 15 6339 1 1 7 CYS C C 0.460 11.976 18.932 1.00 . A A . 7 CYS C 1 1 15 6340 1 1 7 CYS CA C 1.771 11.289 19.302 1.00 . A A . 7 CYS CA 1 1 15 6341 1 1 7 CYS CB C 1.532 9.794 19.523 1.00 . A A . 7 CYS CB 1 1 15 6342 1 1 7 CYS H H 2.470 11.339 21.300 1.00 . A A . 7 CYS H 1 1 15 6343 1 1 7 CYS HA H 2.472 11.416 18.491 1.00 . A A . 7 CYS HA 1 1 15 6344 1 1 7 CYS HB2 H 0.914 9.662 20.399 1.00 . A A . 7 CYS HB2 1 1 15 6345 1 1 7 CYS HB3 H 1.019 9.389 18.663 1.00 . A A . 7 CYS HB3 1 1 15 6346 1 1 7 CYS N N 2.353 11.890 20.496 1.00 . A A . 7 CYS N 1 1 15 6347 1 1 7 CYS O O 0.288 12.440 17.805 1.00 . A A . 7 CYS O 1 1 15 6348 1 1 7 CYS SG S 3.054 8.825 19.770 1.00 . A A . 7 CYS SG 1 1 15 6349 1 1 8 ALA C C -1.600 14.170 19.435 1.00 . A A . 8 ALA C 1 1 15 6350 1 1 8 ALA CA C -1.754 12.670 19.664 1.00 . A A . 8 ALA CA 1 1 15 6351 1 1 8 ALA CB C -2.682 12.407 20.840 1.00 . A A . 8 ALA CB 1 1 15 6352 1 1 8 ALA H H -0.264 11.650 20.766 1.00 . A A . 8 ALA H 1 1 15 6353 1 1 8 ALA HA H -2.195 12.225 18.783 1.00 . A A . 8 ALA HA 1 1 15 6354 1 1 8 ALA HB1 H -3.629 12.897 20.668 1.00 . A A . 8 ALA HB1 1 1 15 6355 1 1 8 ALA HB2 H -2.839 11.343 20.943 1.00 . A A . 8 ALA HB2 1 1 15 6356 1 1 8 ALA HB3 H -2.235 12.794 21.744 1.00 . A A . 8 ALA HB3 1 1 15 6357 1 1 8 ALA N N -0.460 12.038 19.888 1.00 . A A . 8 ALA N 1 1 15 6358 1 1 8 ALA O O -2.575 14.867 19.151 1.00 . A A . 8 ALA O 1 1 15 6359 1 1 9 ILE C C 0.405 16.350 17.950 1.00 . A A . 9 ILE C 1 1 15 6360 1 1 9 ILE CA C -0.091 16.077 19.366 1.00 . A A . 9 ILE CA 1 1 15 6361 1 1 9 ILE CB C 0.958 16.586 20.372 1.00 . A A . 9 ILE CB 1 1 15 6362 1 1 9 ILE CD1 C 1.302 17.009 22.858 1.00 . A A . 9 ILE CD1 1 1 15 6363 1 1 9 ILE CG1 C 0.528 16.252 21.802 1.00 . A A . 9 ILE CG1 1 1 15 6364 1 1 9 ILE CG2 C 1.162 18.085 20.211 1.00 . A A . 9 ILE CG2 1 1 15 6365 1 1 9 ILE H H 0.364 14.053 19.787 1.00 . A A . 9 ILE H 1 1 15 6366 1 1 9 ILE HA H -1.009 16.623 19.526 1.00 . A A . 9 ILE HA 1 1 15 6367 1 1 9 ILE HB H 1.895 16.094 20.162 1.00 . A A . 9 ILE HB 1 1 15 6368 1 1 9 ILE HD11 H 1.126 16.559 23.825 1.00 . A A . 9 ILE HD11 1 1 15 6369 1 1 9 ILE HD12 H 2.357 16.969 22.630 1.00 . A A . 9 ILE HD12 1 1 15 6370 1 1 9 ILE HD13 H 0.976 18.038 22.876 1.00 . A A . 9 ILE HD13 1 1 15 6371 1 1 9 ILE HG12 H -0.517 16.491 21.923 1.00 . A A . 9 ILE HG12 1 1 15 6372 1 1 9 ILE HG13 H 0.674 15.196 21.976 1.00 . A A . 9 ILE HG13 1 1 15 6373 1 1 9 ILE HG21 H 1.542 18.292 19.222 1.00 . A A . 9 ILE HG21 1 1 15 6374 1 1 9 ILE HG22 H 0.219 18.593 20.347 1.00 . A A . 9 ILE HG22 1 1 15 6375 1 1 9 ILE HG23 H 1.869 18.433 20.949 1.00 . A A . 9 ILE HG23 1 1 15 6376 1 1 9 ILE N N -0.371 14.660 19.560 1.00 . A A . 9 ILE N 1 1 15 6377 1 1 9 ILE O O -0.072 17.266 17.279 1.00 . A A . 9 ILE O 1 1 15 6378 1 1 10 LEU C C 1.258 14.746 15.179 1.00 . A A . 10 LEU C 1 1 15 6379 1 1 10 LEU CA C 1.925 15.703 16.162 1.00 . A A . 10 LEU CA 1 1 15 6380 1 1 10 LEU CB C 3.435 15.455 16.188 1.00 . A A . 10 LEU CB 1 1 15 6381 1 1 10 LEU CD1 C 3.956 17.719 15.247 1.00 . A A . 10 LEU CD1 1 1 15 6382 1 1 10 LEU CD2 C 5.746 15.976 15.369 1.00 . A A . 10 LEU CD2 1 1 15 6383 1 1 10 LEU CG C 4.260 16.231 15.162 1.00 . A A . 10 LEU CG 1 1 15 6384 1 1 10 LEU H H 1.705 14.837 18.081 1.00 . A A . 10 LEU H 1 1 15 6385 1 1 10 LEU HA H 1.741 16.717 15.840 1.00 . A A . 10 LEU HA 1 1 15 6386 1 1 10 LEU HB2 H 3.796 15.719 17.171 1.00 . A A . 10 LEU HB2 1 1 15 6387 1 1 10 LEU HB3 H 3.599 14.401 16.018 1.00 . A A . 10 LEU HB3 1 1 15 6388 1 1 10 LEU HD11 H 4.864 18.281 15.090 1.00 . A A . 10 LEU HD11 1 1 15 6389 1 1 10 LEU HD12 H 3.553 17.949 16.222 1.00 . A A . 10 LEU HD12 1 1 15 6390 1 1 10 LEU HD13 H 3.233 17.982 14.488 1.00 . A A . 10 LEU HD13 1 1 15 6391 1 1 10 LEU HD21 H 6.131 16.668 16.104 1.00 . A A . 10 LEU HD21 1 1 15 6392 1 1 10 LEU HD22 H 6.269 16.115 14.435 1.00 . A A . 10 LEU HD22 1 1 15 6393 1 1 10 LEU HD23 H 5.892 14.963 15.716 1.00 . A A . 10 LEU HD23 1 1 15 6394 1 1 10 LEU HG H 3.998 15.894 14.169 1.00 . A A . 10 LEU HG 1 1 15 6395 1 1 10 LEU N N 1.365 15.549 17.500 1.00 . A A . 10 LEU N 1 1 15 6396 1 1 10 LEU O O 1.780 14.484 14.094 1.00 . A A . 10 LEU O 1 1 15 6397 1 1 11 DAL C C -0.944 13.919 13.356 1.00 . A A . 11 DAL C 1 1 15 6398 1 1 11 DAL CA C -0.631 13.300 14.717 1.00 . A A . 11 DAL CA 1 1 15 6399 1 1 11 DAL CB C 0.175 12.018 14.527 1.00 . A A . 11 DAL CB 1 1 15 6400 1 1 11 DAL H H -0.270 14.470 16.438 1.00 . A A . 11 DAL H 1 1 15 6401 1 1 11 DAL HA H -1.557 13.059 15.217 1.00 . A A . 11 DAL HA 1 1 15 6402 1 1 11 DAL HB2 H -0.506 11.184 14.464 1.00 . A A . 11 DAL HB2 1 1 15 6403 1 1 11 DAL HB3 H 0.825 11.881 15.385 1.00 . A A . 11 DAL HB3 1 1 15 6404 1 1 11 DAL N N 0.103 14.228 15.561 1.00 . A A . 11 DAL N 1 1 15 6405 1 1 11 DAL O O -1.178 13.213 12.375 1.00 . A A . 11 DAL O 1 1 15 6406 1 1 12 LYS C C -0.497 17.301 12.038 1.00 . A A . 12 LYS C 1 1 15 6407 1 1 12 LYS CA C -1.237 15.968 12.074 1.00 . A A . 12 LYS CA 1 1 15 6408 1 1 12 LYS CB C -2.743 16.205 11.935 1.00 . A A . 12 LYS CB 1 1 15 6409 1 1 12 LYS CD C -4.823 17.162 12.968 1.00 . A A . 12 LYS CD 1 1 15 6410 1 1 12 LYS CE C -5.455 17.716 14.236 1.00 . A A . 12 LYS CE 1 1 15 6411 1 1 12 LYS CG C -3.405 16.678 13.218 1.00 . A A . 12 LYS CG 1 1 15 6412 1 1 12 LYS H H -0.756 15.755 14.125 1.00 . A A . 12 LYS H 1 1 15 6413 1 1 12 LYS HA H -0.899 15.359 11.249 1.00 . A A . 12 LYS HA 1 1 15 6414 1 1 12 LYS HB2 H -2.909 16.951 11.173 1.00 . A A . 12 LYS HB2 1 1 15 6415 1 1 12 LYS HB3 H -3.214 15.281 11.632 1.00 . A A . 12 LYS HB3 1 1 15 6416 1 1 12 LYS HD2 H -4.802 17.940 12.220 1.00 . A A . 12 LYS HD2 1 1 15 6417 1 1 12 LYS HD3 H -5.419 16.333 12.611 1.00 . A A . 12 LYS HD3 1 1 15 6418 1 1 12 LYS HE2 H -5.720 16.891 14.880 1.00 . A A . 12 LYS HE2 1 1 15 6419 1 1 12 LYS HE3 H -4.734 18.346 14.735 1.00 . A A . 12 LYS HE3 1 1 15 6420 1 1 12 LYS HG2 H -3.434 15.858 13.921 1.00 . A A . 12 LYS HG2 1 1 15 6421 1 1 12 LYS HG3 H -2.825 17.490 13.633 1.00 . A A . 12 LYS HG3 1 1 15 6422 1 1 12 LYS HZ1 H -6.472 19.529 14.038 1.00 . A A . 12 LYS HZ1 1 1 15 6423 1 1 12 LYS HZ2 H -7.437 18.261 14.607 1.00 . A A . 12 LYS HZ2 1 1 15 6424 1 1 12 LYS HZ3 H -7.003 18.327 12.974 1.00 . A A . 12 LYS HZ3 1 1 15 6425 1 1 12 LYS N N -0.951 15.247 13.309 1.00 . A A . 12 LYS N 1 1 15 6426 1 1 12 LYS NZ N -6.677 18.514 13.943 1.00 . A A . 12 LYS NZ 1 1 15 6427 1 1 12 LYS O O -0.217 17.911 13.070 1.00 . A A . 12 LYS O 1 1 15 6428 1 1 13 PRO C C -0.326 20.241 10.961 1.00 . A A . 13 PRO C 1 1 15 6429 1 1 13 PRO CA C 0.539 19.032 10.623 1.00 . A A . 13 PRO CA 1 1 15 6430 1 1 13 PRO CB C 0.877 19.018 9.130 1.00 . A A . 13 PRO CB 1 1 15 6431 1 1 13 PRO CD C -0.473 17.090 9.549 1.00 . A A . 13 PRO CD 1 1 15 6432 1 1 13 PRO CG C -0.155 18.136 8.516 1.00 . A A . 13 PRO CG 1 1 15 6433 1 1 13 PRO HA H 1.451 19.070 11.200 1.00 . A A . 13 PRO HA 1 1 15 6434 1 1 13 PRO HB2 H 0.824 20.023 8.737 1.00 . A A . 13 PRO HB2 1 1 15 6435 1 1 13 PRO HB3 H 1.871 18.621 8.986 1.00 . A A . 13 PRO HB3 1 1 15 6436 1 1 13 PRO HD2 H -1.516 16.813 9.497 1.00 . A A . 13 PRO HD2 1 1 15 6437 1 1 13 PRO HD3 H 0.157 16.223 9.415 1.00 . A A . 13 PRO HD3 1 1 15 6438 1 1 13 PRO HG2 H -1.037 18.711 8.281 1.00 . A A . 13 PRO HG2 1 1 15 6439 1 1 13 PRO HG3 H 0.242 17.673 7.625 1.00 . A A . 13 PRO HG3 1 1 15 6440 1 1 13 PRO N N -0.172 17.765 10.822 1.00 . A A . 13 PRO N 1 1 15 6441 1 1 13 PRO O O -1.362 20.113 11.615 1.00 . A A . 13 PRO O 1 1 15 6442 1 1 14 LEU C C -1.780 22.812 9.776 1.00 . A A . 14 LEU C 1 1 15 6443 1 1 14 LEU CA C -0.632 22.648 10.767 1.00 . A A . 14 LEU CA 1 1 15 6444 1 1 14 LEU CB C 0.307 23.853 10.681 1.00 . A A . 14 LEU CB 1 1 15 6445 1 1 14 LEU CD1 C 0.444 24.009 13.179 1.00 . A A . 14 LEU CD1 1 1 15 6446 1 1 14 LEU CD2 C 1.415 25.826 11.760 1.00 . A A . 14 LEU CD2 1 1 15 6447 1 1 14 LEU CG C 0.302 24.795 11.885 1.00 . A A . 14 LEU CG 1 1 15 6448 1 1 14 LEU H H 0.936 21.454 9.997 1.00 . A A . 14 LEU H 1 1 15 6449 1 1 14 LEU HA H -1.039 22.591 11.765 1.00 . A A . 14 LEU HA 1 1 15 6450 1 1 14 LEU HB2 H 1.312 23.480 10.557 1.00 . A A . 14 LEU HB2 1 1 15 6451 1 1 14 LEU HB3 H 0.028 24.427 9.809 1.00 . A A . 14 LEU HB3 1 1 15 6452 1 1 14 LEU HD11 H -0.520 23.928 13.658 1.00 . A A . 14 LEU HD11 1 1 15 6453 1 1 14 LEU HD12 H 1.132 24.520 13.837 1.00 . A A . 14 LEU HD12 1 1 15 6454 1 1 14 LEU HD13 H 0.822 23.021 12.960 1.00 . A A . 14 LEU HD13 1 1 15 6455 1 1 14 LEU HD21 H 1.294 26.581 12.523 1.00 . A A . 14 LEU HD21 1 1 15 6456 1 1 14 LEU HD22 H 1.369 26.288 10.785 1.00 . A A . 14 LEU HD22 1 1 15 6457 1 1 14 LEU HD23 H 2.372 25.339 11.883 1.00 . A A . 14 LEU HD23 1 1 15 6458 1 1 14 LEU HG H -0.641 25.323 11.917 1.00 . A A . 14 LEU HG 1 1 15 6459 1 1 14 LEU N N 0.104 21.415 10.512 1.00 . A A . 14 LEU N 1 1 15 6460 1 1 14 LEU O O -2.178 21.859 9.108 1.00 . A A . 14 LEU O 1 1 15 6461 1 1 15 GLY C C -2.936 24.465 7.340 1.00 . A A . 15 GLY C 1 1 15 6462 1 1 15 GLY CA C -3.403 24.297 8.772 1.00 . A A . 15 GLY CA 1 1 15 6463 1 1 15 GLY H H -1.949 24.752 10.243 1.00 . A A . 15 GLY H 1 1 15 6464 1 1 15 GLY HA2 H -4.103 23.476 8.817 1.00 . A A . 15 GLY HA2 1 1 15 6465 1 1 15 GLY HA3 H -3.903 25.202 9.083 1.00 . A A . 15 GLY HA3 1 1 15 6466 1 1 15 GLY N N -2.307 24.029 9.685 1.00 . A A . 15 GLY N 1 1 15 6467 1 1 15 GLY O O -3.300 25.430 6.670 1.00 . A A . 15 GLY O 1 1 15 6468 1 1 16 ASN C C -1.702 22.204 4.838 1.00 . A A . 16 ASN C 1 1 15 6469 1 1 16 ASN CA C -1.606 23.572 5.507 1.00 . A A . 16 ASN CA 1 1 15 6470 1 1 16 ASN CB C -0.152 24.049 5.510 1.00 . A A . 16 ASN CB 1 1 15 6471 1 1 16 ASN CG C 0.828 22.917 5.749 1.00 . A A . 16 ASN CG 1 1 15 6472 1 1 16 ASN H H -1.870 22.776 7.451 1.00 . A A . 16 ASN H 1 1 15 6473 1 1 16 ASN HA H -2.205 24.275 4.949 1.00 . A A . 16 ASN HA 1 1 15 6474 1 1 16 ASN HB2 H 0.074 24.500 4.555 1.00 . A A . 16 ASN HB2 1 1 15 6475 1 1 16 ASN HB3 H -0.022 24.784 6.291 1.00 . A A . 16 ASN HB3 1 1 15 6476 1 1 16 ASN HD21 H 1.406 22.984 3.847 1.00 . A A . 16 ASN HD21 1 1 15 6477 1 1 16 ASN HD22 H 2.187 21.796 4.829 1.00 . A A . 16 ASN HD22 1 1 15 6478 1 1 16 ASN N N -2.125 23.522 6.869 1.00 . A A . 16 ASN N 1 1 15 6479 1 1 16 ASN ND2 N 1.546 22.526 4.703 1.00 . A A . 16 ASN ND2 1 1 15 6480 1 1 16 ASN O O -0.912 21.878 3.952 1.00 . A A . 16 ASN O 1 1 15 6481 1 1 16 ASN OD1 O 0.938 22.400 6.861 1.00 . A A . 16 ASN OD1 1 1 15 6482 1 1 17 ASN C C -4.087 19.397 5.343 1.00 . A A . 17 ASN C 1 1 15 6483 1 1 17 ASN CA C -2.875 20.075 4.712 1.00 . A A . 17 ASN CA 1 1 15 6484 1 1 17 ASN CB C -1.627 19.217 4.928 1.00 . A A . 17 ASN CB 1 1 15 6485 1 1 17 ASN CG C -1.846 17.768 4.536 1.00 . A A . 17 ASN CG 1 1 15 6486 1 1 17 ASN H H -3.273 21.724 5.978 1.00 . A A . 17 ASN H 1 1 15 6487 1 1 17 ASN HA H -3.048 20.181 3.651 1.00 . A A . 17 ASN HA 1 1 15 6488 1 1 17 ASN HB2 H -0.818 19.612 4.331 1.00 . A A . 17 ASN HB2 1 1 15 6489 1 1 17 ASN HB3 H -1.349 19.251 5.971 1.00 . A A . 17 ASN HB3 1 1 15 6490 1 1 17 ASN HD21 H -0.041 17.285 5.218 1.00 . A A . 17 ASN HD21 1 1 15 6491 1 1 17 ASN HD22 H -0.965 15.986 4.551 1.00 . A A . 17 ASN HD22 1 1 15 6492 1 1 17 ASN N N -2.675 21.408 5.269 1.00 . A A . 17 ASN N 1 1 15 6493 1 1 17 ASN ND2 N -0.850 16.928 4.795 1.00 . A A . 17 ASN ND2 1 1 15 6494 1 1 17 ASN O O -5.191 19.448 4.803 1.00 . A A . 17 ASN O 1 1 15 6495 1 1 17 ASN OD1 O -2.898 17.409 4.008 1.00 . A A . 17 ASN OD1 1 1 15 6496 1 1 18 GLY C C -4.937 16.586 6.953 1.00 . A A . 18 GLY C 1 1 15 6497 1 1 18 GLY CA C -4.956 18.085 7.179 1.00 . A A . 18 GLY CA 1 1 15 6498 1 1 18 GLY H H -2.970 18.755 6.876 1.00 . A A . 18 GLY H 1 1 15 6499 1 1 18 GLY HA2 H -4.874 18.280 8.238 1.00 . A A . 18 GLY HA2 1 1 15 6500 1 1 18 GLY HA3 H -5.896 18.479 6.822 1.00 . A A . 18 GLY HA3 1 1 15 6501 1 1 18 GLY N N -3.872 18.763 6.492 1.00 . A A . 18 GLY N 1 1 15 6502 1 1 18 GLY O O -5.912 15.895 7.249 1.00 . A A . 18 GLY O 1 1 15 6503 1 1 19 TYR C C -3.270 13.902 7.416 1.00 . A A . 19 TYR C 1 1 15 6504 1 1 19 TYR CA C -3.687 14.656 6.157 1.00 . A A . 19 TYR CA 1 1 15 6505 1 1 19 TYR CB C -2.662 14.424 5.046 1.00 . A A . 19 TYR CB 1 1 15 6506 1 1 19 TYR CD1 C -4.008 12.989 3.464 1.00 . A A . 19 TYR CD1 1 1 15 6507 1 1 19 TYR CD2 C -1.982 12.095 4.344 1.00 . A A . 19 TYR CD2 1 1 15 6508 1 1 19 TYR CE1 C -4.219 11.823 2.754 1.00 . A A . 19 TYR CE1 1 1 15 6509 1 1 19 TYR CE2 C -2.184 10.926 3.637 1.00 . A A . 19 TYR CE2 1 1 15 6510 1 1 19 TYR CG C -2.888 13.146 4.271 1.00 . A A . 19 TYR CG 1 1 15 6511 1 1 19 TYR CZ C -3.305 10.794 2.844 1.00 . A A . 19 TYR CZ 1 1 15 6512 1 1 19 TYR H H -3.084 16.684 6.212 1.00 . A A . 19 TYR H 1 1 15 6513 1 1 19 TYR HA H -4.647 14.285 5.831 1.00 . A A . 19 TYR HA 1 1 15 6514 1 1 19 TYR HB2 H -2.704 15.246 4.349 1.00 . A A . 19 TYR HB2 1 1 15 6515 1 1 19 TYR HB3 H -1.674 14.377 5.482 1.00 . A A . 19 TYR HB3 1 1 15 6516 1 1 19 TYR HD1 H -4.722 13.797 3.395 1.00 . A A . 19 TYR HD1 1 1 15 6517 1 1 19 TYR HD2 H -1.105 12.201 4.967 1.00 . A A . 19 TYR HD2 1 1 15 6518 1 1 19 TYR HE1 H -5.097 11.720 2.132 1.00 . A A . 19 TYR HE1 1 1 15 6519 1 1 19 TYR HE2 H -1.468 10.120 3.707 1.00 . A A . 19 TYR HE2 1 1 15 6520 1 1 19 TYR HH H -4.311 9.204 2.452 1.00 . A A . 19 TYR HH 1 1 15 6521 1 1 19 TYR N N -3.827 16.082 6.426 1.00 . A A . 19 TYR N 1 1 15 6522 1 1 19 TYR O O -3.182 14.481 8.500 1.00 . A A . 19 TYR O 1 1 15 6523 1 1 19 TYR OH O -3.511 9.632 2.137 1.00 . A A . 19 TYR OH 1 1 15 6524 1 1 20 LEU C C -1.238 12.203 8.918 1.00 . A A . 20 LEU C 1 1 15 6525 1 1 20 LEU CA C -2.602 11.773 8.388 1.00 . A A . 20 LEU CA 1 1 15 6526 1 1 20 LEU CB C -2.558 10.303 7.967 1.00 . A A . 20 LEU CB 1 1 15 6527 1 1 20 LEU CD1 C -3.466 8.492 6.491 1.00 . A A . 20 LEU CD1 1 1 15 6528 1 1 20 LEU CD2 C -4.937 9.553 8.213 1.00 . A A . 20 LEU CD2 1 1 15 6529 1 1 20 LEU CG C -3.793 9.777 7.235 1.00 . A A . 20 LEU CG 1 1 15 6530 1 1 20 LEU H H -3.099 12.204 6.377 1.00 . A A . 20 LEU H 1 1 15 6531 1 1 20 LEU HA H -3.334 11.892 9.173 1.00 . A A . 20 LEU HA 1 1 15 6532 1 1 20 LEU HB2 H -1.707 10.171 7.316 1.00 . A A . 20 LEU HB2 1 1 15 6533 1 1 20 LEU HB3 H -2.422 9.708 8.859 1.00 . A A . 20 LEU HB3 1 1 15 6534 1 1 20 LEU HD11 H -2.759 8.702 5.703 1.00 . A A . 20 LEU HD11 1 1 15 6535 1 1 20 LEU HD12 H -4.370 8.083 6.064 1.00 . A A . 20 LEU HD12 1 1 15 6536 1 1 20 LEU HD13 H -3.037 7.777 7.178 1.00 . A A . 20 LEU HD13 1 1 15 6537 1 1 20 LEU HD21 H -5.850 9.951 7.796 1.00 . A A . 20 LEU HD21 1 1 15 6538 1 1 20 LEU HD22 H -4.718 10.053 9.144 1.00 . A A . 20 LEU HD22 1 1 15 6539 1 1 20 LEU HD23 H -5.055 8.494 8.392 1.00 . A A . 20 LEU HD23 1 1 15 6540 1 1 20 LEU HG H -4.112 10.511 6.508 1.00 . A A . 20 LEU HG 1 1 15 6541 1 1 20 LEU N N -3.012 12.608 7.264 1.00 . A A . 20 LEU N 1 1 15 6542 1 1 20 LEU O O -0.751 13.289 8.601 1.00 . A A . 20 LEU O 1 1 15 6543 1 1 21 CYS C C 1.800 11.230 9.336 1.00 . A A . 21 CYS C 1 1 15 6544 1 1 21 CYS CA C 0.685 11.633 10.297 1.00 . A A . 21 CYS CA 1 1 15 6545 1 1 21 CYS CB C 0.855 10.900 11.629 1.00 . A A . 21 CYS CB 1 1 15 6546 1 1 21 CYS H H -1.063 10.493 9.940 1.00 . A A . 21 CYS H 1 1 15 6547 1 1 21 CYS HA H 0.744 12.696 10.471 1.00 . A A . 21 CYS HA 1 1 15 6548 1 1 21 CYS HB2 H -0.055 10.365 11.855 1.00 . A A . 21 CYS HB2 1 1 15 6549 1 1 21 CYS HB3 H 1.669 10.196 11.542 1.00 . A A . 21 CYS HB3 1 1 15 6550 1 1 21 CYS N N -0.624 11.344 9.724 1.00 . A A . 21 CYS N 1 1 15 6551 1 1 21 CYS O O 1.551 10.967 8.159 1.00 . A A . 21 CYS O 1 1 15 6552 1 1 21 CYS SG S 1.217 11.996 13.039 1.00 . A A . 21 CYS SG 1 1 15 6553 1 1 22 . C C 4.286 11.723 7.823 1.00 . A A . 22 DBB C 1 1 15 6554 1 1 22 . CA C 4.175 10.823 9.039 1.00 . A A . 22 DBB CA 1 1 15 6555 1 1 22 . CB C 5.473 10.912 9.868 1.00 . A A . 22 DBB CB 1 1 15 6556 1 1 22 . CG C 5.285 10.119 11.160 1.00 . A A . 22 DBB CG 1 1 15 6557 1 1 22 . H H 3.150 11.407 10.798 1.00 . A A . 22 DBB H 1 1 15 6558 1 1 22 . HA H 4.050 9.803 8.710 1.00 . A A . 22 DBB HA 1 1 15 6559 1 1 22 . HB3 H 5.609 11.955 10.131 1.00 . A A . 22 DBB HB3 1 1 15 6560 1 1 22 . HG1 H 6.194 9.586 11.389 1.00 . A A . 22 DBB HG1 1 1 15 6561 1 1 22 . HG2 H 4.474 9.418 11.039 1.00 . A A . 22 DBB HG2 1 1 15 6562 1 1 22 . HG3 H 5.057 10.804 11.965 1.00 . A A . 22 DBB HG3 1 1 15 6563 1 1 22 . N N 3.020 11.184 9.845 1.00 . A A . 22 DBB N 1 1 15 6564 1 1 22 . O O 4.689 11.280 6.747 1.00 . A A . 22 DBB O 1 1 15 6565 1 1 23 VAL C C 4.700 15.210 7.294 1.00 . A A . 23 VAL C 1 1 15 6566 1 1 23 VAL CA C 3.948 13.947 6.891 1.00 . A A . 23 VAL CA 1 1 15 6567 1 1 23 VAL CB C 2.530 14.332 6.430 1.00 . A A . 23 VAL CB 1 1 15 6568 1 1 23 VAL CG1 C 2.578 15.027 5.078 1.00 . A A . 23 VAL CG1 1 1 15 6569 1 1 23 VAL CG2 C 1.636 13.103 6.375 1.00 . A A . 23 VAL CG2 1 1 15 6570 1 1 23 VAL H H 3.595 13.281 8.869 1.00 . A A . 23 VAL H 1 1 15 6571 1 1 23 VAL HA H 4.461 13.483 6.060 1.00 . A A . 23 VAL HA 1 1 15 6572 1 1 23 VAL HB H 2.114 15.022 7.149 1.00 . A A . 23 VAL HB 1 1 15 6573 1 1 23 VAL HG11 H 1.712 14.745 4.497 1.00 . A A . 23 VAL HG11 1 1 15 6574 1 1 23 VAL HG12 H 2.584 16.097 5.222 1.00 . A A . 23 VAL HG12 1 1 15 6575 1 1 23 VAL HG13 H 3.474 14.729 4.552 1.00 . A A . 23 VAL HG13 1 1 15 6576 1 1 23 VAL HG21 H 1.108 13.082 5.433 1.00 . A A . 23 VAL HG21 1 1 15 6577 1 1 23 VAL HG22 H 2.241 12.214 6.470 1.00 . A A . 23 VAL HG22 1 1 15 6578 1 1 23 VAL HG23 H 0.922 13.140 7.186 1.00 . A A . 23 VAL HG23 1 1 15 6579 1 1 23 VAL N N 3.908 12.987 7.988 1.00 . A A . 23 VAL N 1 1 15 6580 1 1 23 VAL O O 4.637 15.639 8.446 1.00 . A A . 23 VAL O 1 1 15 6581 1 1 24 . C C 7.468 16.678 7.319 1.00 . A A . 24 DBB C 1 1 15 6582 1 1 24 . CA C 6.177 17.003 6.590 1.00 . A A . 24 DBB CA 1 1 15 6583 1 1 24 . CB C 6.500 17.733 5.269 1.00 . A A . 24 DBB CB 1 1 15 6584 1 1 24 . CG C 5.408 17.408 4.251 1.00 . A A . 24 DBB CG 1 1 15 6585 1 1 24 . H H 5.414 15.400 5.437 1.00 . A A . 24 DBB H 1 1 15 6586 1 1 24 . HA H 5.584 17.662 7.206 1.00 . A A . 24 DBB HA 1 1 15 6587 1 1 24 . HB3 H 7.433 17.323 4.901 1.00 . A A . 24 DBB HB3 1 1 15 6588 1 1 24 . HG1 H 4.483 17.209 4.769 1.00 . A A . 24 DBB HG1 1 1 15 6589 1 1 24 . HG2 H 5.696 16.541 3.677 1.00 . A A . 24 DBB HG2 1 1 15 6590 1 1 24 . HG3 H 5.277 18.253 3.591 1.00 . A A . 24 DBB HG3 1 1 15 6591 1 1 24 . N N 5.407 15.797 6.342 1.00 . A A . 24 DBB N 1 1 15 6592 1 1 24 . O O 7.732 15.520 7.645 1.00 . A A . 24 DBB O 1 1 15 6593 1 1 25 LYS C C 9.551 16.253 9.088 1.00 . A A . 25 LYS C 1 1 15 6594 1 1 25 LYS CA C 9.563 17.516 8.232 1.00 . A A . 25 LYS CA 1 1 15 6595 1 1 25 LYS CB C 9.882 18.732 9.104 1.00 . A A . 25 LYS CB 1 1 15 6596 1 1 25 LYS CD C 10.933 21.006 8.912 1.00 . A A . 25 LYS CD 1 1 15 6597 1 1 25 LYS CE C 12.225 21.612 9.438 1.00 . A A . 25 LYS CE 1 1 15 6598 1 1 25 LYS CG C 11.090 19.521 8.628 1.00 . A A . 25 LYS CG 1 1 15 6599 1 1 25 LYS H H 8.018 18.599 7.273 1.00 . A A . 25 LYS H 1 1 15 6600 1 1 25 LYS HA H 10.326 17.416 7.475 1.00 . A A . 25 LYS HA 1 1 15 6601 1 1 25 LYS HB2 H 9.027 19.391 9.109 1.00 . A A . 25 LYS HB2 1 1 15 6602 1 1 25 LYS HB3 H 10.073 18.397 10.113 1.00 . A A . 25 LYS HB3 1 1 15 6603 1 1 25 LYS HD2 H 10.657 21.511 7.999 1.00 . A A . 25 LYS HD2 1 1 15 6604 1 1 25 LYS HD3 H 10.155 21.142 9.650 1.00 . A A . 25 LYS HD3 1 1 15 6605 1 1 25 LYS HE2 H 12.400 21.244 10.437 1.00 . A A . 25 LYS HE2 1 1 15 6606 1 1 25 LYS HE3 H 13.038 21.308 8.795 1.00 . A A . 25 LYS HE3 1 1 15 6607 1 1 25 LYS HG2 H 11.970 19.159 9.139 1.00 . A A . 25 LYS HG2 1 1 15 6608 1 1 25 LYS HG3 H 11.205 19.378 7.563 1.00 . A A . 25 LYS HG3 1 1 15 6609 1 1 25 LYS HZ1 H 12.149 23.480 8.505 1.00 . A A . 25 LYS HZ1 1 1 15 6610 1 1 25 LYS HZ2 H 12.999 23.479 9.968 1.00 . A A . 25 LYS HZ2 1 1 15 6611 1 1 25 LYS HZ3 H 11.309 23.411 9.972 1.00 . A A . 25 LYS HZ3 1 1 15 6612 1 1 25 LYS N N 8.284 17.699 7.557 1.00 . A A . 25 LYS N 1 1 15 6613 1 1 25 LYS NZ N 12.166 23.100 9.473 1.00 . A A . 25 LYS NZ 1 1 15 6614 1 1 25 LYS O O 10.563 15.564 9.207 1.00 . A A . 25 LYS O 1 1 15 6615 1 1 26 GLU C C 8.781 13.532 9.814 1.00 . A A . 26 GLU C 1 1 15 6616 1 1 26 GLU CA C 8.255 14.776 10.525 1.00 . A A . 26 GLU CA 1 1 15 6617 1 1 26 GLU CB C 6.789 14.574 10.914 1.00 . A A . 26 GLU CB 1 1 15 6618 1 1 26 GLU CD C 4.704 15.669 11.825 1.00 . A A . 26 GLU CD 1 1 15 6619 1 1 26 GLU CG C 6.029 15.873 11.117 1.00 . A A . 26 GLU CG 1 1 15 6620 1 1 26 GLU H H 7.626 16.546 9.548 1.00 . A A . 26 GLU H 1 1 15 6621 1 1 26 GLU HA H 8.836 14.937 11.420 1.00 . A A . 26 GLU HA 1 1 15 6622 1 1 26 GLU HB2 H 6.297 14.010 10.134 1.00 . A A . 26 GLU HB2 1 1 15 6623 1 1 26 GLU HB3 H 6.748 14.010 11.834 1.00 . A A . 26 GLU HB3 1 1 15 6624 1 1 26 GLU HG2 H 6.636 16.542 11.709 1.00 . A A . 26 GLU HG2 1 1 15 6625 1 1 26 GLU HG3 H 5.839 16.320 10.152 1.00 . A A . 26 GLU HG3 1 1 15 6626 1 1 26 GLU N N 8.398 15.957 9.681 1.00 . A A . 26 GLU N 1 1 15 6627 1 1 26 GLU O O 9.557 12.762 10.379 1.00 . A A . 26 GLU O 1 1 15 6628 1 1 26 GLU OE1 O 4.466 14.552 12.330 1.00 . A A . 26 GLU OE1 1 1 15 6629 1 1 26 GLU OE2 O 3.904 16.627 11.875 1.00 . A A . 26 GLU OE2 1 1 15 6630 1 1 27 CYS C C 9.407 12.640 6.466 1.00 . A A . 27 CYS C 1 1 15 6631 1 1 27 CYS CA C 8.777 12.193 7.782 1.00 . A A . 27 CYS CA 1 1 15 6632 1 1 27 CYS CB C 7.587 11.272 7.503 1.00 . A A . 27 CYS CB 1 1 15 6633 1 1 27 CYS H H 7.733 13.993 8.174 1.00 . A A . 27 CYS H 1 1 15 6634 1 1 27 CYS HA H 9.514 11.652 8.354 1.00 . A A . 27 CYS HA 1 1 15 6635 1 1 27 CYS HB2 H 6.772 11.859 7.106 1.00 . A A . 27 CYS HB2 1 1 15 6636 1 1 27 CYS HB3 H 7.879 10.531 6.773 1.00 . A A . 27 CYS HB3 1 1 15 6637 1 1 27 CYS N N 8.352 13.343 8.571 1.00 . A A . 27 CYS N 1 1 15 6638 1 1 27 CYS O O 10.072 11.858 5.787 1.00 . A A . 27 CYS O 1 1 15 6639 1 1 27 CYS SG S 6.970 10.390 8.973 1.00 . A A . 27 CYS SG 1 1 15 6640 1 1 28 MET C C 10.502 15.748 5.152 1.00 . A A . 28 MET C 1 1 15 6641 1 1 28 MET CA C 9.741 14.454 4.878 1.00 . A A . 28 MET CA 1 1 15 6642 1 1 28 MET CB C 8.622 14.712 3.868 1.00 . A A . 28 MET CB 1 1 15 6643 1 1 28 MET CE C 6.398 11.191 4.147 1.00 . A A . 28 MET CE 1 1 15 6644 1 1 28 MET CG C 7.453 13.749 3.998 1.00 . A A . 28 MET CG 1 1 15 6645 1 1 28 MET H H 8.654 14.479 6.694 1.00 . A A . 28 MET H 1 1 15 6646 1 1 28 MET HA H 10.426 13.728 4.467 1.00 . A A . 28 MET HA 1 1 15 6647 1 1 28 MET HB2 H 8.251 15.716 4.007 1.00 . A A . 28 MET HB2 1 1 15 6648 1 1 28 MET HB3 H 9.025 14.621 2.870 1.00 . A A . 28 MET HB3 1 1 15 6649 1 1 28 MET HE1 H 6.593 10.178 4.471 1.00 . A A . 28 MET HE1 1 1 15 6650 1 1 28 MET HE2 H 5.858 11.718 4.920 1.00 . A A . 28 MET HE2 1 1 15 6651 1 1 28 MET HE3 H 5.808 11.173 3.243 1.00 . A A . 28 MET HE3 1 1 15 6652 1 1 28 MET HG2 H 6.998 13.884 4.968 1.00 . A A . 28 MET HG2 1 1 15 6653 1 1 28 MET HG3 H 6.729 13.978 3.229 1.00 . A A . 28 MET HG3 1 1 15 6654 1 1 28 MET N N 9.193 13.903 6.112 1.00 . A A . 28 MET N 1 1 15 6655 1 1 28 MET O O 9.927 16.764 5.541 1.00 . A A . 28 MET O 1 1 15 6656 1 1 28 MET SD S 7.951 12.024 3.829 1.00 . A A . 28 MET SD 1 1 15 6657 1 1 29 PRO C C 12.465 17.970 4.131 1.00 . A A . 29 PRO C 1 1 15 6658 1 1 29 PRO CA C 12.695 16.872 5.164 1.00 . A A . 29 PRO CA 1 1 15 6659 1 1 29 PRO CB C 14.104 16.293 5.024 1.00 . A A . 29 PRO CB 1 1 15 6660 1 1 29 PRO CD C 12.580 14.533 4.482 1.00 . A A . 29 PRO CD 1 1 15 6661 1 1 29 PRO CG C 13.937 15.093 4.157 1.00 . A A . 29 PRO CG 1 1 15 6662 1 1 29 PRO HA H 12.568 17.281 6.156 1.00 . A A . 29 PRO HA 1 1 15 6663 1 1 29 PRO HB2 H 14.754 17.026 4.565 1.00 . A A . 29 PRO HB2 1 1 15 6664 1 1 29 PRO HB3 H 14.486 16.025 5.998 1.00 . A A . 29 PRO HB3 1 1 15 6665 1 1 29 PRO HD2 H 12.125 14.108 3.600 1.00 . A A . 29 PRO HD2 1 1 15 6666 1 1 29 PRO HD3 H 12.655 13.793 5.265 1.00 . A A . 29 PRO HD3 1 1 15 6667 1 1 29 PRO HG2 H 13.984 15.382 3.118 1.00 . A A . 29 PRO HG2 1 1 15 6668 1 1 29 PRO HG3 H 14.705 14.368 4.382 1.00 . A A . 29 PRO HG3 1 1 15 6669 1 1 29 PRO N N 11.827 15.711 4.946 1.00 . A A . 29 PRO N 1 1 15 6670 1 1 29 PRO O O 12.912 19.104 4.305 1.00 . A A . 29 PRO O 1 1 15 6671 1 1 30 SER C C 10.330 19.505 2.385 1.00 . A A . 30 SER C 1 1 15 6672 1 1 30 SER CA C 11.479 18.582 1.991 1.00 . A A . 30 SER CA 1 1 15 6673 1 1 30 SER CB C 11.136 17.847 0.694 1.00 . A A . 30 SER CB 1 1 15 6674 1 1 30 SER H H 11.436 16.706 2.972 1.00 . A A . 30 SER H 1 1 15 6675 1 1 30 SER HA H 12.366 19.178 1.833 1.00 . A A . 30 SER HA 1 1 15 6676 1 1 30 SER HB2 H 11.679 16.914 0.657 1.00 . A A . 30 SER HB2 1 1 15 6677 1 1 30 SER HB3 H 10.075 17.647 0.666 1.00 . A A . 30 SER HB3 1 1 15 6678 1 1 30 SER HG H 10.886 18.421 -1.163 1.00 . A A . 30 SER HG 1 1 15 6679 1 1 30 SER N N 11.765 17.626 3.054 1.00 . A A . 30 SER N 1 1 15 6680 1 1 30 SER O O 9.603 20.010 1.529 1.00 . A A . 30 SER O 1 1 15 6681 1 1 30 SER OG O 11.485 18.623 -0.440 1.00 . A A . 30 SER OG 1 1 15 6682 1 1 31 CYS C C 9.621 22.003 4.410 1.00 . A A . 31 CYS C 1 1 15 6683 1 1 31 CYS CA C 9.112 20.581 4.196 1.00 . A A . 31 CYS CA 1 1 15 6684 1 1 31 CYS CB C 8.560 20.023 5.510 1.00 . A A . 31 CYS CB 1 1 15 6685 1 1 31 CYS H H 10.783 19.289 4.320 1.00 . A A . 31 CYS H 1 1 15 6686 1 1 31 CYS HA H 8.319 20.602 3.463 1.00 . A A . 31 CYS HA 1 1 15 6687 1 1 31 CYS HB2 H 9.118 19.137 5.778 1.00 . A A . 31 CYS HB2 1 1 15 6688 1 1 31 CYS HB3 H 8.678 20.765 6.285 1.00 . A A . 31 CYS HB3 1 1 15 6689 1 1 31 CYS N N 10.172 19.720 3.686 1.00 . A A . 31 CYS N 1 1 15 6690 1 1 31 CYS O O 10.633 22.218 5.075 1.00 . A A . 31 CYS O 1 1 15 6691 1 1 31 CYS SG S 6.798 19.566 5.442 1.00 . A A . 31 CYS SG 1 1 15 6692 1 1 32 ASN C C 8.422 25.082 5.001 1.00 . A A . 32 ASN C 1 1 15 6693 1 1 32 ASN CA C 9.292 24.374 3.967 1.00 . A A . 32 ASN CA 1 1 15 6694 1 1 32 ASN CB C 9.174 25.081 2.615 1.00 . A A . 32 ASN CB 1 1 15 6695 1 1 32 ASN CG C 10.290 24.698 1.663 1.00 . A A . 32 ASN CG 1 1 15 6696 1 1 32 ASN H H 8.113 22.739 3.321 1.00 . A A . 32 ASN H 1 1 15 6697 1 1 32 ASN HA H 10.320 24.410 4.293 1.00 . A A . 32 ASN HA 1 1 15 6698 1 1 32 ASN HB2 H 8.231 24.816 2.159 1.00 . A A . 32 ASN HB2 1 1 15 6699 1 1 32 ASN HB3 H 9.207 26.149 2.770 1.00 . A A . 32 ASN HB3 1 1 15 6700 1 1 32 ASN HD21 H 9.346 23.010 1.197 1.00 . A A . 32 ASN HD21 1 1 15 6701 1 1 32 ASN HD22 H 10.858 23.271 0.401 1.00 . A A . 32 ASN HD22 1 1 15 6702 1 1 32 ASN N N 8.912 22.972 3.840 1.00 . A A . 32 ASN N 1 1 15 6703 1 1 32 ASN ND2 N 10.150 23.543 1.022 1.00 . A A . 32 ASN ND2 1 1 15 6704 1 1 32 ASN O O 7.314 25.524 4.697 1.00 . A A . 32 ASN O 1 1 15 6705 1 1 32 ASN OD1 O 11.266 25.432 1.505 1.00 . A A . 32 ASN OD1 1 1 16 6706 1 1 1 2KT C1 C -2.404 5.980 17.454 1.00 . A A . 1 2KT C1 1 1 16 6707 1 1 1 2KT C2 C -3.562 5.505 16.978 1.00 . A A . 1 2KT C2 1 1 16 6708 1 1 1 2KT C3 C -4.641 5.694 17.626 1.00 . A A . 1 2KT C3 1 1 16 6709 1 1 1 2KT C4 C -5.037 6.921 17.647 1.00 . A A . 1 2KT C4 1 1 16 6710 1 1 1 2KT H31 H -4.663 5.550 18.615 1.00 . A A . 1 2KT H31 1 1 16 6711 1 1 1 2KT H32 H -5.457 5.160 17.404 1.00 . A A . 1 2KT H32 1 1 16 6712 1 1 1 2KT H41 H -5.739 7.209 18.299 1.00 . A A . 1 2KT H41 1 1 16 6713 1 1 1 2KT H42 H -4.384 7.654 17.834 1.00 . A A . 1 2KT H42 1 1 16 6714 1 1 1 2KT H43 H -5.451 7.327 16.832 1.00 . A A . 1 2KT H43 1 1 16 6715 1 1 1 2KT O1 O -2.421 6.561 18.540 1.00 . A A . 1 2KT O1 1 1 16 6716 1 1 1 2KT O3 O -3.553 4.889 15.910 1.00 . A A . 1 2KT O3 1 1 16 6717 1 1 2 ILE C C 0.031 7.828 17.207 1.00 . A A . 2 ILE C 1 1 16 6718 1 1 2 ILE CA C -0.005 6.303 17.208 1.00 . A A . 2 ILE CA 1 1 16 6719 1 1 2 ILE CB C 1.149 5.773 16.336 1.00 . A A . 2 ILE CB 1 1 16 6720 1 1 2 ILE CD1 C 1.979 5.732 13.930 1.00 . A A . 2 ILE CD1 1 1 16 6721 1 1 2 ILE CG1 C 0.790 5.888 14.853 1.00 . A A . 2 ILE CG1 1 1 16 6722 1 1 2 ILE CG2 C 1.468 4.331 16.699 1.00 . A A . 2 ILE CG2 1 1 16 6723 1 1 2 ILE H H -1.345 5.336 15.886 1.00 . A A . 2 ILE H 1 1 16 6724 1 1 2 ILE HA H 0.143 5.951 18.218 1.00 . A A . 2 ILE HA 1 1 16 6725 1 1 2 ILE HB H 2.025 6.372 16.534 1.00 . A A . 2 ILE HB 1 1 16 6726 1 1 2 ILE HD11 H 1.745 5.010 13.161 1.00 . A A . 2 ILE HD11 1 1 16 6727 1 1 2 ILE HD12 H 2.207 6.683 13.472 1.00 . A A . 2 ILE HD12 1 1 16 6728 1 1 2 ILE HD13 H 2.832 5.390 14.496 1.00 . A A . 2 ILE HD13 1 1 16 6729 1 1 2 ILE HG12 H 0.074 5.122 14.602 1.00 . A A . 2 ILE HG12 1 1 16 6730 1 1 2 ILE HG13 H 0.352 6.859 14.670 1.00 . A A . 2 ILE HG13 1 1 16 6731 1 1 2 ILE HG21 H 0.671 3.928 17.307 1.00 . A A . 2 ILE HG21 1 1 16 6732 1 1 2 ILE HG22 H 1.563 3.745 15.797 1.00 . A A . 2 ILE HG22 1 1 16 6733 1 1 2 ILE HG23 H 2.395 4.295 17.251 1.00 . A A . 2 ILE HG23 1 1 16 6734 1 1 2 ILE N N -1.295 5.808 16.743 1.00 . A A . 2 ILE N 1 1 16 6735 1 1 2 ILE O O -0.933 8.479 16.801 1.00 . A A . 2 ILE O 1 1 16 6736 1 1 3 . C C 1.184 10.325 19.149 1.00 . A A . 3 DBB C 1 1 16 6737 1 1 3 . CA C 1.306 9.828 17.720 1.00 . A A . 3 DBB CA 1 1 16 6738 1 1 3 . CB C 2.673 10.250 17.142 1.00 . A A . 3 DBB CB 1 1 16 6739 1 1 3 . CG C 2.844 9.605 15.767 1.00 . A A . 3 DBB CG 1 1 16 6740 1 1 3 . H H 1.877 7.805 17.971 1.00 . A A . 3 DBB H 1 1 16 6741 1 1 3 . HA H 0.530 10.282 17.123 1.00 . A A . 3 DBB HA 1 1 16 6742 1 1 3 . HB3 H 3.434 9.845 17.799 1.00 . A A . 3 DBB HB3 1 1 16 6743 1 1 3 . HG1 H 1.978 9.818 15.162 1.00 . A A . 3 DBB HG1 1 1 16 6744 1 1 3 . HG2 H 2.955 8.538 15.881 1.00 . A A . 3 DBB HG2 1 1 16 6745 1 1 3 . HG3 H 3.725 10.013 15.292 1.00 . A A . 3 DBB HG3 1 1 16 6746 1 1 3 . N N 1.141 8.385 17.660 1.00 . A A . 3 DBB N 1 1 16 6747 1 1 3 . O O 1.647 11.418 19.476 1.00 . A A . 3 DBB O 1 1 16 6748 1 1 4 LEU C C 1.483 10.777 21.893 1.00 . A A . 4 LEU C 1 1 16 6749 1 1 4 LEU CA C 0.339 9.902 21.392 1.00 . A A . 4 LEU CA 1 1 16 6750 1 1 4 LEU CB C 0.220 8.650 22.263 1.00 . A A . 4 LEU CB 1 1 16 6751 1 1 4 LEU CD1 C -1.673 7.437 21.154 1.00 . A A . 4 LEU CD1 1 1 16 6752 1 1 4 LEU CD2 C -1.226 7.091 23.591 1.00 . A A . 4 LEU CD2 1 1 16 6753 1 1 4 LEU CG C -1.190 8.087 22.441 1.00 . A A . 4 LEU CG 1 1 16 6754 1 1 4 LEU H H 0.195 8.670 19.677 1.00 . A A . 4 LEU H 1 1 16 6755 1 1 4 LEU HA H -0.582 10.462 21.455 1.00 . A A . 4 LEU HA 1 1 16 6756 1 1 4 LEU HB2 H 0.829 7.878 21.817 1.00 . A A . 4 LEU HB2 1 1 16 6757 1 1 4 LEU HB3 H 0.608 8.891 23.242 1.00 . A A . 4 LEU HB3 1 1 16 6758 1 1 4 LEU HD11 H -2.596 6.910 21.341 1.00 . A A . 4 LEU HD11 1 1 16 6759 1 1 4 LEU HD12 H -0.926 6.740 20.802 1.00 . A A . 4 LEU HD12 1 1 16 6760 1 1 4 LEU HD13 H -1.837 8.198 20.406 1.00 . A A . 4 LEU HD13 1 1 16 6761 1 1 4 LEU HD21 H -2.140 6.519 23.543 1.00 . A A . 4 LEU HD21 1 1 16 6762 1 1 4 LEU HD22 H -1.182 7.623 24.530 1.00 . A A . 4 LEU HD22 1 1 16 6763 1 1 4 LEU HD23 H -0.379 6.424 23.516 1.00 . A A . 4 LEU HD23 1 1 16 6764 1 1 4 LEU HG H -1.867 8.897 22.679 1.00 . A A . 4 LEU HG 1 1 16 6765 1 1 4 LEU N N 0.541 9.529 19.996 1.00 . A A . 4 LEU N 1 1 16 6766 1 1 4 LEU O O 2.653 10.420 21.725 1.00 . A A . 4 LEU O 1 1 16 6767 1 1 5 DHA C C 2.153 14.093 22.508 1.00 . A A . 5 DHA C 1 1 16 6768 1 1 5 DHA CA C 2.079 12.770 22.997 1.00 . A A . 5 DHA CA 1 1 16 6769 1 1 5 DHA CB C 2.909 12.368 23.966 1.00 . A A . 5 DHA CB 1 1 16 6770 1 1 5 DHA H H 0.175 12.079 22.573 1.00 . A A . 5 DHA H 1 1 16 6771 1 1 5 DHA HB1 H 2.848 11.359 24.348 1.00 . A A . 5 DHA HB1 1 1 16 6772 1 1 5 DHA HB2 H 3.618 13.057 24.388 1.00 . A A . 5 DHA HB2 1 1 16 6773 1 1 5 DHA N N 1.134 11.908 22.502 1.00 . A A . 5 DHA N 1 1 16 6774 1 1 5 DHA O O 1.372 14.965 22.903 1.00 . A A . 5 DHA O 1 1 16 6775 1 1 6 DBU C C 2.823 15.694 19.498 1.00 . A A . 6 DBU C 1 1 16 6776 1 1 6 DBU CA C 3.145 15.530 20.973 1.00 . A A . 6 DBU CA 1 1 16 6777 1 1 6 DBU CB C 3.520 16.592 21.702 1.00 . A A . 6 DBU CB 1 1 16 6778 1 1 6 DBU CG C 3.830 16.403 23.159 1.00 . A A . 6 DBU CG 1 1 16 6779 1 1 6 DBU H1 H 3.619 13.536 21.307 1.00 . A A . 6 DBU H1 1 1 16 6780 1 1 6 DBU HB1 H 3.603 17.566 21.240 1.00 . A A . 6 DBU HB1 1 1 16 6781 1 1 6 DBU HG1 H 3.978 15.354 23.362 1.00 . A A . 6 DBU HG1 1 1 16 6782 1 1 6 DBU HG2 H 3.007 16.763 23.753 1.00 . A A . 6 DBU HG2 1 1 16 6783 1 1 6 DBU HG3 H 4.727 16.954 23.404 1.00 . A A . 6 DBU HG3 1 1 16 6784 1 1 6 DBU N N 3.045 14.297 21.546 1.00 . A A . 6 DBU N 1 1 16 6785 1 1 6 DBU O O 3.099 16.731 18.895 1.00 . A A . 6 DBU O 1 1 16 6786 1 1 7 CYS C C 0.783 15.612 17.201 1.00 . A A . 7 CYS C 1 1 16 6787 1 1 7 CYS CA C 1.931 14.648 17.489 1.00 . A A . 7 CYS CA 1 1 16 6788 1 1 7 CYS CB C 1.555 13.239 17.027 1.00 . A A . 7 CYS CB 1 1 16 6789 1 1 7 CYS H H 2.065 13.844 19.443 1.00 . A A . 7 CYS H 1 1 16 6790 1 1 7 CYS HA H 2.804 14.975 16.946 1.00 . A A . 7 CYS HA 1 1 16 6791 1 1 7 CYS HB2 H 0.769 12.857 17.663 1.00 . A A . 7 CYS HB2 1 1 16 6792 1 1 7 CYS HB3 H 1.196 13.285 16.010 1.00 . A A . 7 CYS HB3 1 1 16 6793 1 1 7 CYS N N 2.262 14.643 18.909 1.00 . A A . 7 CYS N 1 1 16 6794 1 1 7 CYS O O 0.939 16.569 16.443 1.00 . A A . 7 CYS O 1 1 16 6795 1 1 7 CYS SG S 2.933 12.048 17.076 1.00 . A A . 7 CYS SG 1 1 16 6796 1 1 8 ALA C C -1.368 17.540 18.327 1.00 . A A . 8 ALA C 1 1 16 6797 1 1 8 ALA CA C -1.540 16.198 17.624 1.00 . A A . 8 ALA CA 1 1 16 6798 1 1 8 ALA CB C -2.788 15.490 18.131 1.00 . A A . 8 ALA CB 1 1 16 6799 1 1 8 ALA H H -0.430 14.575 18.405 1.00 . A A . 8 ALA H 1 1 16 6800 1 1 8 ALA HA H -1.660 16.371 16.564 1.00 . A A . 8 ALA HA 1 1 16 6801 1 1 8 ALA HB1 H -2.863 14.517 17.668 1.00 . A A . 8 ALA HB1 1 1 16 6802 1 1 8 ALA HB2 H -2.726 15.375 19.203 1.00 . A A . 8 ALA HB2 1 1 16 6803 1 1 8 ALA HB3 H -3.660 16.076 17.882 1.00 . A A . 8 ALA HB3 1 1 16 6804 1 1 8 ALA N N -0.368 15.352 17.812 1.00 . A A . 8 ALA N 1 1 16 6805 1 1 8 ALA O O -2.272 18.376 18.317 1.00 . A A . 8 ALA O 1 1 16 6806 1 1 9 ILE C C 0.855 19.951 18.756 1.00 . A A . 9 ILE C 1 1 16 6807 1 1 9 ILE CA C 0.085 18.979 19.644 1.00 . A A . 9 ILE CA 1 1 16 6808 1 1 9 ILE CB C 0.897 18.720 20.927 1.00 . A A . 9 ILE CB 1 1 16 6809 1 1 9 ILE CD1 C -0.663 18.183 22.865 1.00 . A A . 9 ILE CD1 1 1 16 6810 1 1 9 ILE CG1 C 0.225 17.635 21.770 1.00 . A A . 9 ILE CG1 1 1 16 6811 1 1 9 ILE CG2 C 1.046 20.005 21.728 1.00 . A A . 9 ILE CG2 1 1 16 6812 1 1 9 ILE H H 0.476 17.034 18.909 1.00 . A A . 9 ILE H 1 1 16 6813 1 1 9 ILE HA H -0.856 19.431 19.922 1.00 . A A . 9 ILE HA 1 1 16 6814 1 1 9 ILE HB H 1.882 18.386 20.641 1.00 . A A . 9 ILE HB 1 1 16 6815 1 1 9 ILE HD11 H -0.050 18.540 23.681 1.00 . A A . 9 ILE HD11 1 1 16 6816 1 1 9 ILE HD12 H -1.252 19.001 22.476 1.00 . A A . 9 ILE HD12 1 1 16 6817 1 1 9 ILE HD13 H -1.318 17.404 23.222 1.00 . A A . 9 ILE HD13 1 1 16 6818 1 1 9 ILE HG12 H -0.383 17.015 21.131 1.00 . A A . 9 ILE HG12 1 1 16 6819 1 1 9 ILE HG13 H 0.988 17.027 22.235 1.00 . A A . 9 ILE HG13 1 1 16 6820 1 1 9 ILE HG21 H 0.069 20.420 21.927 1.00 . A A . 9 ILE HG21 1 1 16 6821 1 1 9 ILE HG22 H 1.542 19.790 22.662 1.00 . A A . 9 ILE HG22 1 1 16 6822 1 1 9 ILE HG23 H 1.632 20.715 21.164 1.00 . A A . 9 ILE HG23 1 1 16 6823 1 1 9 ILE N N -0.204 17.738 18.936 1.00 . A A . 9 ILE N 1 1 16 6824 1 1 9 ILE O O 0.512 21.131 18.664 1.00 . A A . 9 ILE O 1 1 16 6825 1 1 10 LEU C C 2.270 20.124 15.769 1.00 . A A . 10 LEU C 1 1 16 6826 1 1 10 LEU CA C 2.716 20.272 17.220 1.00 . A A . 10 LEU CA 1 1 16 6827 1 1 10 LEU CB C 4.191 19.887 17.354 1.00 . A A . 10 LEU CB 1 1 16 6828 1 1 10 LEU CD1 C 5.379 21.257 15.623 1.00 . A A . 10 LEU CD1 1 1 16 6829 1 1 10 LEU CD2 C 4.762 22.283 17.819 1.00 . A A . 10 LEU CD2 1 1 16 6830 1 1 10 LEU CG C 5.201 21.009 17.113 1.00 . A A . 10 LEU CG 1 1 16 6831 1 1 10 LEU H H 2.122 18.502 18.216 1.00 . A A . 10 LEU H 1 1 16 6832 1 1 10 LEU HA H 2.593 21.302 17.518 1.00 . A A . 10 LEU HA 1 1 16 6833 1 1 10 LEU HB2 H 4.345 19.513 18.354 1.00 . A A . 10 LEU HB2 1 1 16 6834 1 1 10 LEU HB3 H 4.392 19.100 16.641 1.00 . A A . 10 LEU HB3 1 1 16 6835 1 1 10 LEU HD11 H 5.269 20.326 15.088 1.00 . A A . 10 LEU HD11 1 1 16 6836 1 1 10 LEU HD12 H 6.363 21.663 15.440 1.00 . A A . 10 LEU HD12 1 1 16 6837 1 1 10 LEU HD13 H 4.631 21.958 15.283 1.00 . A A . 10 LEU HD13 1 1 16 6838 1 1 10 LEU HD21 H 5.625 22.901 18.017 1.00 . A A . 10 LEU HD21 1 1 16 6839 1 1 10 LEU HD22 H 4.279 22.030 18.751 1.00 . A A . 10 LEU HD22 1 1 16 6840 1 1 10 LEU HD23 H 4.069 22.823 17.189 1.00 . A A . 10 LEU HD23 1 1 16 6841 1 1 10 LEU HG H 6.160 20.714 17.518 1.00 . A A . 10 LEU HG 1 1 16 6842 1 1 10 LEU N N 1.897 19.449 18.103 1.00 . A A . 10 LEU N 1 1 16 6843 1 1 10 LEU O O 3.035 20.384 14.839 1.00 . A A . 10 LEU O 1 1 16 6844 1 1 11 DAL C C 0.375 20.853 13.502 1.00 . A A . 11 DAL C 1 1 16 6845 1 1 11 DAL CA C 0.484 19.522 14.244 1.00 . A A . 11 DAL CA 1 1 16 6846 1 1 11 DAL CB C 1.364 18.560 13.451 1.00 . A A . 11 DAL CB 1 1 16 6847 1 1 11 DAL H H 0.460 19.513 16.356 1.00 . A A . 11 DAL H 1 1 16 6848 1 1 11 DAL HA H -0.501 19.092 14.345 1.00 . A A . 11 DAL HA 1 1 16 6849 1 1 11 DAL HB2 H 2.181 18.238 14.076 1.00 . A A . 11 DAL HB2 1 1 16 6850 1 1 11 DAL HB3 H 1.763 19.081 12.586 1.00 . A A . 11 DAL HB3 1 1 16 6851 1 1 11 DAL N N 1.029 19.707 15.579 1.00 . A A . 11 DAL N 1 1 16 6852 1 1 11 DAL O O 1.177 21.764 13.708 1.00 . A A . 11 DAL O 1 1 16 6853 1 1 12 LYS C C -2.158 22.090 11.083 1.00 . A A . 12 LYS C 1 1 16 6854 1 1 12 LYS CA C -0.844 22.168 11.855 1.00 . A A . 12 LYS CA 1 1 16 6855 1 1 12 LYS CB C 0.318 22.392 10.885 1.00 . A A . 12 LYS CB 1 1 16 6856 1 1 12 LYS CD C 1.704 21.451 9.014 1.00 . A A . 12 LYS CD 1 1 16 6857 1 1 12 LYS CE C 1.609 20.417 7.902 1.00 . A A . 12 LYS CE 1 1 16 6858 1 1 12 LYS CG C 0.751 21.133 10.153 1.00 . A A . 12 LYS CG 1 1 16 6859 1 1 12 LYS H H -1.233 20.193 12.513 1.00 . A A . 12 LYS H 1 1 16 6860 1 1 12 LYS HA H -0.893 22.998 12.543 1.00 . A A . 12 LYS HA 1 1 16 6861 1 1 12 LYS HB2 H 0.021 23.126 10.150 1.00 . A A . 12 LYS HB2 1 1 16 6862 1 1 12 LYS HB3 H 1.165 22.771 11.438 1.00 . A A . 12 LYS HB3 1 1 16 6863 1 1 12 LYS HD2 H 1.458 22.421 8.609 1.00 . A A . 12 LYS HD2 1 1 16 6864 1 1 12 LYS HD3 H 2.716 21.464 9.395 1.00 . A A . 12 LYS HD3 1 1 16 6865 1 1 12 LYS HE2 H 0.839 20.722 7.210 1.00 . A A . 12 LYS HE2 1 1 16 6866 1 1 12 LYS HE3 H 2.557 20.372 7.388 1.00 . A A . 12 LYS HE3 1 1 16 6867 1 1 12 LYS HG2 H 1.247 20.475 10.851 1.00 . A A . 12 LYS HG2 1 1 16 6868 1 1 12 LYS HG3 H -0.124 20.642 9.752 1.00 . A A . 12 LYS HG3 1 1 16 6869 1 1 12 LYS HZ1 H 1.714 18.332 7.834 1.00 . A A . 12 LYS HZ1 1 1 16 6870 1 1 12 LYS HZ2 H 0.248 18.925 8.436 1.00 . A A . 12 LYS HZ2 1 1 16 6871 1 1 12 LYS HZ3 H 1.636 18.963 9.401 1.00 . A A . 12 LYS HZ3 1 1 16 6872 1 1 12 LYS N N -0.626 20.954 12.633 1.00 . A A . 12 LYS N 1 1 16 6873 1 1 12 LYS NZ N 1.279 19.064 8.430 1.00 . A A . 12 LYS NZ 1 1 16 6874 1 1 12 LYS O O -2.671 21.009 10.792 1.00 . A A . 12 LYS O 1 1 16 6875 1 1 13 PRO C C -3.828 22.889 8.552 1.00 . A A . 13 PRO C 1 1 16 6876 1 1 13 PRO CA C -3.974 23.352 9.997 1.00 . A A . 13 PRO CA 1 1 16 6877 1 1 13 PRO CB C -4.310 24.844 10.049 1.00 . A A . 13 PRO CB 1 1 16 6878 1 1 13 PRO CD C -2.158 24.588 11.056 1.00 . A A . 13 PRO CD 1 1 16 6879 1 1 13 PRO CG C -2.996 25.523 10.229 1.00 . A A . 13 PRO CG 1 1 16 6880 1 1 13 PRO HA H -4.760 22.787 10.477 1.00 . A A . 13 PRO HA 1 1 16 6881 1 1 13 PRO HB2 H -4.786 25.141 9.125 1.00 . A A . 13 PRO HB2 1 1 16 6882 1 1 13 PRO HB3 H -4.972 25.039 10.880 1.00 . A A . 13 PRO HB3 1 1 16 6883 1 1 13 PRO HD2 H -1.121 24.650 10.761 1.00 . A A . 13 PRO HD2 1 1 16 6884 1 1 13 PRO HD3 H -2.267 24.812 12.107 1.00 . A A . 13 PRO HD3 1 1 16 6885 1 1 13 PRO HG2 H -2.535 25.690 9.268 1.00 . A A . 13 PRO HG2 1 1 16 6886 1 1 13 PRO HG3 H -3.135 26.459 10.749 1.00 . A A . 13 PRO HG3 1 1 16 6887 1 1 13 PRO N N -2.715 23.261 10.742 1.00 . A A . 13 PRO N 1 1 16 6888 1 1 13 PRO O O -2.760 23.022 7.952 1.00 . A A . 13 PRO O 1 1 16 6889 1 1 14 LEU C C -6.294 21.926 6.013 1.00 . A A . 14 LEU C 1 1 16 6890 1 1 14 LEU CA C -4.897 21.862 6.621 1.00 . A A . 14 LEU CA 1 1 16 6891 1 1 14 LEU CB C -4.370 20.426 6.567 1.00 . A A . 14 LEU CB 1 1 16 6892 1 1 14 LEU CD1 C -4.771 17.952 6.567 1.00 . A A . 14 LEU CD1 1 1 16 6893 1 1 14 LEU CD2 C -6.131 19.437 8.052 1.00 . A A . 14 LEU CD2 1 1 16 6894 1 1 14 LEU CG C -5.417 19.321 6.713 1.00 . A A . 14 LEU CG 1 1 16 6895 1 1 14 LEU H H -5.727 22.265 8.526 1.00 . A A . 14 LEU H 1 1 16 6896 1 1 14 LEU HA H -4.239 22.500 6.051 1.00 . A A . 14 LEU HA 1 1 16 6897 1 1 14 LEU HB2 H -3.878 20.291 5.616 1.00 . A A . 14 LEU HB2 1 1 16 6898 1 1 14 LEU HB3 H -3.650 20.309 7.364 1.00 . A A . 14 LEU HB3 1 1 16 6899 1 1 14 LEU HD11 H -5.172 17.456 5.696 1.00 . A A . 14 LEU HD11 1 1 16 6900 1 1 14 LEU HD12 H -4.980 17.360 7.446 1.00 . A A . 14 LEU HD12 1 1 16 6901 1 1 14 LEU HD13 H -3.703 18.068 6.458 1.00 . A A . 14 LEU HD13 1 1 16 6902 1 1 14 LEU HD21 H -6.577 18.487 8.305 1.00 . A A . 14 LEU HD21 1 1 16 6903 1 1 14 LEU HD22 H -6.902 20.191 7.984 1.00 . A A . 14 LEU HD22 1 1 16 6904 1 1 14 LEU HD23 H -5.420 19.717 8.816 1.00 . A A . 14 LEU HD23 1 1 16 6905 1 1 14 LEU HG H -6.155 19.427 5.929 1.00 . A A . 14 LEU HG 1 1 16 6906 1 1 14 LEU N N -4.905 22.344 7.998 1.00 . A A . 14 LEU N 1 1 16 6907 1 1 14 LEU O O -7.220 22.469 6.615 1.00 . A A . 14 LEU O 1 1 16 6908 1 1 15 GLY C C -8.153 19.983 3.701 1.00 . A A . 15 GLY C 1 1 16 6909 1 1 15 GLY CA C -7.728 21.368 4.147 1.00 . A A . 15 GLY CA 1 1 16 6910 1 1 15 GLY H H -5.666 20.947 4.384 1.00 . A A . 15 GLY H 1 1 16 6911 1 1 15 GLY HA2 H -8.472 21.761 4.824 1.00 . A A . 15 GLY HA2 1 1 16 6912 1 1 15 GLY HA3 H -7.669 22.011 3.281 1.00 . A A . 15 GLY HA3 1 1 16 6913 1 1 15 GLY N N -6.440 21.366 4.816 1.00 . A A . 15 GLY N 1 1 16 6914 1 1 15 GLY O O -9.306 19.770 3.329 1.00 . A A . 15 GLY O 1 1 16 6915 1 1 16 ASN C C -6.941 16.674 4.344 1.00 . A A . 16 ASN C 1 1 16 6916 1 1 16 ASN CA C -7.501 17.668 3.331 1.00 . A A . 16 ASN CA 1 1 16 6917 1 1 16 ASN CB C -6.909 17.391 1.947 1.00 . A A . 16 ASN CB 1 1 16 6918 1 1 16 ASN CG C -7.269 16.011 1.430 1.00 . A A . 16 ASN CG 1 1 16 6919 1 1 16 ASN H H -6.316 19.270 4.043 1.00 . A A . 16 ASN H 1 1 16 6920 1 1 16 ASN HA H -8.573 17.551 3.284 1.00 . A A . 16 ASN HA 1 1 16 6921 1 1 16 ASN HB2 H -7.284 18.125 1.249 1.00 . A A . 16 ASN HB2 1 1 16 6922 1 1 16 ASN HB3 H -5.834 17.467 2.000 1.00 . A A . 16 ASN HB3 1 1 16 6923 1 1 16 ASN HD21 H -6.885 16.583 -0.435 1.00 . A A . 16 ASN HD21 1 1 16 6924 1 1 16 ASN HD22 H -7.403 14.946 -0.243 1.00 . A A . 16 ASN HD22 1 1 16 6925 1 1 16 ASN N N -7.218 19.039 3.737 1.00 . A A . 16 ASN N 1 1 16 6926 1 1 16 ASN ND2 N -7.176 15.829 0.118 1.00 . A A . 16 ASN ND2 1 1 16 6927 1 1 16 ASN O O -5.882 16.085 4.131 1.00 . A A . 16 ASN O 1 1 16 6928 1 1 16 ASN OD1 O -7.625 15.120 2.202 1.00 . A A . 16 ASN OD1 1 1 16 6929 1 1 17 ASN C C -6.759 14.250 5.894 1.00 . A A . 17 ASN C 1 1 16 6930 1 1 17 ASN CA C -7.236 15.569 6.493 1.00 . A A . 17 ASN CA 1 1 16 6931 1 1 17 ASN CB C -8.384 15.312 7.471 1.00 . A A . 17 ASN CB 1 1 16 6932 1 1 17 ASN CG C -7.964 14.438 8.638 1.00 . A A . 17 ASN CG 1 1 16 6933 1 1 17 ASN H H -8.497 16.990 5.559 1.00 . A A . 17 ASN H 1 1 16 6934 1 1 17 ASN HA H -6.417 16.027 7.026 1.00 . A A . 17 ASN HA 1 1 16 6935 1 1 17 ASN HB2 H -8.734 16.257 7.862 1.00 . A A . 17 ASN HB2 1 1 16 6936 1 1 17 ASN HB3 H -9.192 14.821 6.950 1.00 . A A . 17 ASN HB3 1 1 16 6937 1 1 17 ASN HD21 H -9.560 13.281 8.376 1.00 . A A . 17 ASN HD21 1 1 16 6938 1 1 17 ASN HD22 H -8.512 12.833 9.675 1.00 . A A . 17 ASN HD22 1 1 16 6939 1 1 17 ASN N N -7.661 16.492 5.446 1.00 . A A . 17 ASN N 1 1 16 6940 1 1 17 ASN ND2 N -8.759 13.414 8.925 1.00 . A A . 17 ASN ND2 1 1 16 6941 1 1 17 ASN O O -7.435 13.655 5.056 1.00 . A A . 17 ASN O 1 1 16 6942 1 1 17 ASN OD1 O -6.938 14.682 9.273 1.00 . A A . 17 ASN OD1 1 1 16 6943 1 1 18 GLY C C -4.671 11.589 6.940 1.00 . A A . 18 GLY C 1 1 16 6944 1 1 18 GLY CA C -5.039 12.551 5.828 1.00 . A A . 18 GLY CA 1 1 16 6945 1 1 18 GLY H H -5.091 14.313 7.000 1.00 . A A . 18 GLY H 1 1 16 6946 1 1 18 GLY HA2 H -5.770 12.082 5.187 1.00 . A A . 18 GLY HA2 1 1 16 6947 1 1 18 GLY HA3 H -4.154 12.768 5.249 1.00 . A A . 18 GLY HA3 1 1 16 6948 1 1 18 GLY N N -5.587 13.797 6.331 1.00 . A A . 18 GLY N 1 1 16 6949 1 1 18 GLY O O -5.487 10.763 7.351 1.00 . A A . 18 GLY O 1 1 16 6950 1 1 19 TYR C C -2.672 11.622 9.761 1.00 . A A . 19 TYR C 1 1 16 6951 1 1 19 TYR CA C -2.964 10.822 8.495 1.00 . A A . 19 TYR CA 1 1 16 6952 1 1 19 TYR CB C -1.707 10.074 8.050 1.00 . A A . 19 TYR CB 1 1 16 6953 1 1 19 TYR CD1 C -2.448 7.701 8.493 1.00 . A A . 19 TYR CD1 1 1 16 6954 1 1 19 TYR CD2 C -0.465 8.478 9.562 1.00 . A A . 19 TYR CD2 1 1 16 6955 1 1 19 TYR CE1 C -2.297 6.468 9.098 1.00 . A A . 19 TYR CE1 1 1 16 6956 1 1 19 TYR CE2 C -0.305 7.248 10.170 1.00 . A A . 19 TYR CE2 1 1 16 6957 1 1 19 TYR CG C -1.537 8.726 8.714 1.00 . A A . 19 TYR CG 1 1 16 6958 1 1 19 TYR CZ C -1.224 6.247 9.936 1.00 . A A . 19 TYR CZ 1 1 16 6959 1 1 19 TYR H H -2.836 12.371 7.059 1.00 . A A . 19 TYR H 1 1 16 6960 1 1 19 TYR HA H -3.742 10.104 8.709 1.00 . A A . 19 TYR HA 1 1 16 6961 1 1 19 TYR HB2 H -1.750 9.914 6.984 1.00 . A A . 19 TYR HB2 1 1 16 6962 1 1 19 TYR HB3 H -0.838 10.672 8.285 1.00 . A A . 19 TYR HB3 1 1 16 6963 1 1 19 TYR HD1 H -3.287 7.878 7.836 1.00 . A A . 19 TYR HD1 1 1 16 6964 1 1 19 TYR HD2 H 0.254 9.264 9.744 1.00 . A A . 19 TYR HD2 1 1 16 6965 1 1 19 TYR HE1 H -3.016 5.684 8.914 1.00 . A A . 19 TYR HE1 1 1 16 6966 1 1 19 TYR HE2 H 0.535 7.074 10.827 1.00 . A A . 19 TYR HE2 1 1 16 6967 1 1 19 TYR HH H -0.813 4.370 9.882 1.00 . A A . 19 TYR HH 1 1 16 6968 1 1 19 TYR N N -3.440 11.693 7.427 1.00 . A A . 19 TYR N 1 1 16 6969 1 1 19 TYR O O -3.016 12.801 9.858 1.00 . A A . 19 TYR O 1 1 16 6970 1 1 19 TYR OH O -1.069 5.020 10.540 1.00 . A A . 19 TYR OH 1 1 16 6971 1 1 20 LEU C C -0.560 12.625 11.798 1.00 . A A . 20 LEU C 1 1 16 6972 1 1 20 LEU CA C -1.694 11.623 11.990 1.00 . A A . 20 LEU CA 1 1 16 6973 1 1 20 LEU CB C -1.295 10.578 13.033 1.00 . A A . 20 LEU CB 1 1 16 6974 1 1 20 LEU CD1 C -1.940 8.580 14.403 1.00 . A A . 20 LEU CD1 1 1 16 6975 1 1 20 LEU CD2 C -3.639 9.693 12.943 1.00 . A A . 20 LEU CD2 1 1 16 6976 1 1 20 LEU CG C -2.171 9.326 13.098 1.00 . A A . 20 LEU CG 1 1 16 6977 1 1 20 LEU H H -1.786 10.036 10.594 1.00 . A A . 20 LEU H 1 1 16 6978 1 1 20 LEU HA H -2.569 12.151 12.338 1.00 . A A . 20 LEU HA 1 1 16 6979 1 1 20 LEU HB2 H -0.285 10.264 12.818 1.00 . A A . 20 LEU HB2 1 1 16 6980 1 1 20 LEU HB3 H -1.324 11.053 14.004 1.00 . A A . 20 LEU HB3 1 1 16 6981 1 1 20 LEU HD11 H -0.882 8.421 14.545 1.00 . A A . 20 LEU HD11 1 1 16 6982 1 1 20 LEU HD12 H -2.446 7.626 14.366 1.00 . A A . 20 LEU HD12 1 1 16 6983 1 1 20 LEU HD13 H -2.332 9.162 15.224 1.00 . A A . 20 LEU HD13 1 1 16 6984 1 1 20 LEU HD21 H -4.249 8.956 13.443 1.00 . A A . 20 LEU HD21 1 1 16 6985 1 1 20 LEU HD22 H -3.894 9.721 11.894 1.00 . A A . 20 LEU HD22 1 1 16 6986 1 1 20 LEU HD23 H -3.815 10.665 13.382 1.00 . A A . 20 LEU HD23 1 1 16 6987 1 1 20 LEU HG H -1.903 8.665 12.284 1.00 . A A . 20 LEU HG 1 1 16 6988 1 1 20 LEU N N -2.035 10.973 10.729 1.00 . A A . 20 LEU N 1 1 16 6989 1 1 20 LEU O O -0.019 12.764 10.700 1.00 . A A . 20 LEU O 1 1 16 6990 1 1 21 CYS C C 2.200 13.687 13.240 1.00 . A A . 21 CYS C 1 1 16 6991 1 1 21 CYS CA C 0.869 14.307 12.824 1.00 . A A . 21 CYS CA 1 1 16 6992 1 1 21 CYS CB C 0.540 15.492 13.733 1.00 . A A . 21 CYS CB 1 1 16 6993 1 1 21 CYS H H -0.670 13.164 13.720 1.00 . A A . 21 CYS H 1 1 16 6994 1 1 21 CYS HA H 0.952 14.657 11.806 1.00 . A A . 21 CYS HA 1 1 16 6995 1 1 21 CYS HB2 H -0.431 15.334 14.181 1.00 . A A . 21 CYS HB2 1 1 16 6996 1 1 21 CYS HB3 H 1.284 15.555 14.514 1.00 . A A . 21 CYS HB3 1 1 16 6997 1 1 21 CYS N N -0.202 13.319 12.873 1.00 . A A . 21 CYS N 1 1 16 6998 1 1 21 CYS O O 2.325 12.464 13.326 1.00 . A A . 21 CYS O 1 1 16 6999 1 1 21 CYS SG S 0.498 17.098 12.875 1.00 . A A . 21 CYS SG 1 1 16 7000 1 1 22 . C C 5.181 13.329 12.761 1.00 . A A . 22 DBB C 1 1 16 7001 1 1 22 . CA C 4.505 14.078 13.894 1.00 . A A . 22 DBB CA 1 1 16 7002 1 1 22 . CB C 5.389 15.265 14.328 1.00 . A A . 22 DBB CB 1 1 16 7003 1 1 22 . CG C 4.638 16.075 15.384 1.00 . A A . 22 DBB CG 1 1 16 7004 1 1 22 . H H 3.016 15.502 13.408 1.00 . A A . 22 DBB H 1 1 16 7005 1 1 22 . HA H 4.392 13.412 14.736 1.00 . A A . 22 DBB HA 1 1 16 7006 1 1 22 . HB3 H 5.523 15.895 13.456 1.00 . A A . 22 DBB HB3 1 1 16 7007 1 1 22 . HG1 H 3.608 16.186 15.085 1.00 . A A . 22 DBB HG1 1 1 16 7008 1 1 22 . HG2 H 5.093 17.048 15.484 1.00 . A A . 22 DBB HG2 1 1 16 7009 1 1 22 . HG3 H 4.684 15.553 16.329 1.00 . A A . 22 DBB HG3 1 1 16 7010 1 1 22 . N N 3.184 14.533 13.496 1.00 . A A . 22 DBB N 1 1 16 7011 1 1 22 . O O 5.919 12.371 12.992 1.00 . A A . 22 DBB O 1 1 16 7012 1 1 23 VAL C C 6.153 14.123 9.438 1.00 . A A . 23 VAL C 1 1 16 7013 1 1 23 VAL CA C 5.484 13.106 10.356 1.00 . A A . 23 VAL CA 1 1 16 7014 1 1 23 VAL CB C 4.411 12.340 9.560 1.00 . A A . 23 VAL CB 1 1 16 7015 1 1 23 VAL CG1 C 5.061 11.383 8.571 1.00 . A A . 23 VAL CG1 1 1 16 7016 1 1 23 VAL CG2 C 3.480 11.593 10.503 1.00 . A A . 23 VAL CG2 1 1 16 7017 1 1 23 VAL H H 4.317 14.522 11.410 1.00 . A A . 23 VAL H 1 1 16 7018 1 1 23 VAL HA H 6.227 12.398 10.693 1.00 . A A . 23 VAL HA 1 1 16 7019 1 1 23 VAL HB H 3.826 13.056 9.002 1.00 . A A . 23 VAL HB 1 1 16 7020 1 1 23 VAL HG11 H 4.377 10.578 8.348 1.00 . A A . 23 VAL HG11 1 1 16 7021 1 1 23 VAL HG12 H 5.304 11.914 7.663 1.00 . A A . 23 VAL HG12 1 1 16 7022 1 1 23 VAL HG13 H 5.964 10.978 9.004 1.00 . A A . 23 VAL HG13 1 1 16 7023 1 1 23 VAL HG21 H 4.063 10.977 11.171 1.00 . A A . 23 VAL HG21 1 1 16 7024 1 1 23 VAL HG22 H 2.906 12.304 11.078 1.00 . A A . 23 VAL HG22 1 1 16 7025 1 1 23 VAL HG23 H 2.811 10.969 9.930 1.00 . A A . 23 VAL HG23 1 1 16 7026 1 1 23 VAL N N 4.913 13.754 11.530 1.00 . A A . 23 VAL N 1 1 16 7027 1 1 23 VAL O O 5.693 15.260 9.318 1.00 . A A . 23 VAL O 1 1 16 7028 1 1 24 . C C 8.829 15.557 8.675 1.00 . A A . 24 DBB C 1 1 16 7029 1 1 24 . CA C 7.971 14.578 7.895 1.00 . A A . 24 DBB CA 1 1 16 7030 1 1 24 . CB C 8.863 13.754 6.943 1.00 . A A . 24 DBB CB 1 1 16 7031 1 1 24 . CG C 8.230 12.377 6.748 1.00 . A A . 24 DBB CG 1 1 16 7032 1 1 24 . H H 7.548 12.784 8.937 1.00 . A A . 24 DBB H 1 1 16 7033 1 1 24 . HA H 7.259 15.131 7.301 1.00 . A A . 24 DBB HA 1 1 16 7034 1 1 24 . HB3 H 9.816 13.617 7.442 1.00 . A A . 24 DBB HB3 1 1 16 7035 1 1 24 . HG1 H 7.159 12.460 6.836 1.00 . A A . 24 DBB HG1 1 1 16 7036 1 1 24 . HG2 H 8.605 11.698 7.498 1.00 . A A . 24 DBB HG2 1 1 16 7037 1 1 24 . HG3 H 8.483 12.008 5.764 1.00 . A A . 24 DBB HG3 1 1 16 7038 1 1 24 . N N 7.232 13.709 8.796 1.00 . A A . 24 DBB N 1 1 16 7039 1 1 24 . O O 8.816 15.564 9.906 1.00 . A A . 24 DBB O 1 1 16 7040 1 1 25 LYS C C 9.993 17.692 9.991 1.00 . A A . 25 LYS C 1 1 16 7041 1 1 25 LYS CA C 10.476 17.348 8.586 1.00 . A A . 25 LYS CA 1 1 16 7042 1 1 25 LYS CB C 10.555 18.619 7.737 1.00 . A A . 25 LYS CB 1 1 16 7043 1 1 25 LYS CD C 11.828 19.491 5.755 1.00 . A A . 25 LYS CD 1 1 16 7044 1 1 25 LYS CE C 12.203 20.965 5.785 1.00 . A A . 25 LYS CE 1 1 16 7045 1 1 25 LYS CG C 11.928 18.863 7.135 1.00 . A A . 25 LYS CG 1 1 16 7046 1 1 25 LYS H H 9.558 16.322 6.978 1.00 . A A . 25 LYS H 1 1 16 7047 1 1 25 LYS HA H 11.459 16.908 8.653 1.00 . A A . 25 LYS HA 1 1 16 7048 1 1 25 LYS HB2 H 9.840 18.545 6.931 1.00 . A A . 25 LYS HB2 1 1 16 7049 1 1 25 LYS HB3 H 10.301 19.467 8.356 1.00 . A A . 25 LYS HB3 1 1 16 7050 1 1 25 LYS HD2 H 12.499 18.974 5.084 1.00 . A A . 25 LYS HD2 1 1 16 7051 1 1 25 LYS HD3 H 10.813 19.394 5.397 1.00 . A A . 25 LYS HD3 1 1 16 7052 1 1 25 LYS HE2 H 11.314 21.545 5.978 1.00 . A A . 25 LYS HE2 1 1 16 7053 1 1 25 LYS HE3 H 12.918 21.125 6.579 1.00 . A A . 25 LYS HE3 1 1 16 7054 1 1 25 LYS HG2 H 12.482 19.527 7.781 1.00 . A A . 25 LYS HG2 1 1 16 7055 1 1 25 LYS HG3 H 12.449 17.919 7.054 1.00 . A A . 25 LYS HG3 1 1 16 7056 1 1 25 LYS HZ1 H 12.564 20.739 3.740 1.00 . A A . 25 LYS HZ1 1 1 16 7057 1 1 25 LYS HZ2 H 13.837 21.466 4.584 1.00 . A A . 25 LYS HZ2 1 1 16 7058 1 1 25 LYS HZ3 H 12.437 22.350 4.239 1.00 . A A . 25 LYS HZ3 1 1 16 7059 1 1 25 LYS N N 9.591 16.374 7.956 1.00 . A A . 25 LYS N 1 1 16 7060 1 1 25 LYS NZ N 12.802 21.411 4.496 1.00 . A A . 25 LYS NZ 1 1 16 7061 1 1 25 LYS O O 10.797 17.917 10.895 1.00 . A A . 25 LYS O 1 1 16 7062 1 1 26 GLU C C 8.710 17.193 12.566 1.00 . A A . 26 GLU C 1 1 16 7063 1 1 26 GLU CA C 8.088 18.046 11.464 1.00 . A A . 26 GLU CA 1 1 16 7064 1 1 26 GLU CB C 6.574 17.828 11.429 1.00 . A A . 26 GLU CB 1 1 16 7065 1 1 26 GLU CD C 4.430 18.287 10.173 1.00 . A A . 26 GLU CD 1 1 16 7066 1 1 26 GLU CG C 5.940 18.173 10.091 1.00 . A A . 26 GLU CG 1 1 16 7067 1 1 26 GLU H H 8.086 17.541 9.408 1.00 . A A . 26 GLU H 1 1 16 7068 1 1 26 GLU HA H 8.288 19.086 11.674 1.00 . A A . 26 GLU HA 1 1 16 7069 1 1 26 GLU HB2 H 6.366 16.791 11.646 1.00 . A A . 26 GLU HB2 1 1 16 7070 1 1 26 GLU HB3 H 6.117 18.444 12.189 1.00 . A A . 26 GLU HB3 1 1 16 7071 1 1 26 GLU HG2 H 6.339 19.117 9.751 1.00 . A A . 26 GLU HG2 1 1 16 7072 1 1 26 GLU HG3 H 6.190 17.401 9.379 1.00 . A A . 26 GLU HG3 1 1 16 7073 1 1 26 GLU N N 8.676 17.730 10.167 1.00 . A A . 26 GLU N 1 1 16 7074 1 1 26 GLU O O 9.115 17.706 13.609 1.00 . A A . 26 GLU O 1 1 16 7075 1 1 26 GLU OE1 O 3.941 19.159 10.921 1.00 . A A . 26 GLU OE1 1 1 16 7076 1 1 26 GLU OE2 O 3.738 17.504 9.490 1.00 . A A . 26 GLU OE2 1 1 16 7077 1 1 27 CYS C C 10.501 14.168 12.682 1.00 . A A . 27 CYS C 1 1 16 7078 1 1 27 CYS CA C 9.352 14.962 13.297 1.00 . A A . 27 CYS CA 1 1 16 7079 1 1 27 CYS CB C 8.276 14.005 13.814 1.00 . A A . 27 CYS CB 1 1 16 7080 1 1 27 CYS H H 8.441 15.538 11.475 1.00 . A A . 27 CYS H 1 1 16 7081 1 1 27 CYS HA H 9.734 15.541 14.124 1.00 . A A . 27 CYS HA 1 1 16 7082 1 1 27 CYS HB2 H 7.745 13.584 12.973 1.00 . A A . 27 CYS HB2 1 1 16 7083 1 1 27 CYS HB3 H 8.750 13.209 14.369 1.00 . A A . 27 CYS HB3 1 1 16 7084 1 1 27 CYS N N 8.781 15.888 12.326 1.00 . A A . 27 CYS N 1 1 16 7085 1 1 27 CYS O O 11.294 13.552 13.393 1.00 . A A . 27 CYS O 1 1 16 7086 1 1 27 CYS SG S 7.047 14.789 14.907 1.00 . A A . 27 CYS SG 1 1 16 7087 1 1 28 MET C C 12.357 14.396 9.667 1.00 . A A . 28 MET C 1 1 16 7088 1 1 28 MET CA C 11.636 13.473 10.644 1.00 . A A . 28 MET CA 1 1 16 7089 1 1 28 MET CB C 11.050 12.274 9.894 1.00 . A A . 28 MET CB 1 1 16 7090 1 1 28 MET CE C 11.619 8.873 8.219 1.00 . A A . 28 MET CE 1 1 16 7091 1 1 28 MET CG C 11.958 11.056 9.891 1.00 . A A . 28 MET CG 1 1 16 7092 1 1 28 MET H H 9.921 14.698 10.842 1.00 . A A . 28 MET H 1 1 16 7093 1 1 28 MET HA H 12.346 13.116 11.375 1.00 . A A . 28 MET HA 1 1 16 7094 1 1 28 MET HB2 H 10.114 11.998 10.357 1.00 . A A . 28 MET HB2 1 1 16 7095 1 1 28 MET HB3 H 10.865 12.561 8.870 1.00 . A A . 28 MET HB3 1 1 16 7096 1 1 28 MET HE1 H 10.891 9.097 7.452 1.00 . A A . 28 MET HE1 1 1 16 7097 1 1 28 MET HE2 H 12.561 9.337 7.967 1.00 . A A . 28 MET HE2 1 1 16 7098 1 1 28 MET HE3 H 11.751 7.803 8.289 1.00 . A A . 28 MET HE3 1 1 16 7099 1 1 28 MET HG2 H 12.622 11.120 9.042 1.00 . A A . 28 MET HG2 1 1 16 7100 1 1 28 MET HG3 H 12.541 11.057 10.801 1.00 . A A . 28 MET HG3 1 1 16 7101 1 1 28 MET N N 10.583 14.189 11.355 1.00 . A A . 28 MET N 1 1 16 7102 1 1 28 MET O O 11.786 14.864 8.682 1.00 . A A . 28 MET O 1 1 16 7103 1 1 28 MET SD S 11.042 9.506 9.791 1.00 . A A . 28 MET SD 1 1 16 7104 1 1 29 PRO C C 14.789 14.897 7.752 1.00 . A A . 29 PRO C 1 1 16 7105 1 1 29 PRO CA C 14.467 15.534 9.100 1.00 . A A . 29 PRO CA 1 1 16 7106 1 1 29 PRO CB C 15.745 15.717 9.923 1.00 . A A . 29 PRO CB 1 1 16 7107 1 1 29 PRO CD C 14.386 14.141 11.101 1.00 . A A . 29 PRO CD 1 1 16 7108 1 1 29 PRO CG C 15.811 14.509 10.793 1.00 . A A . 29 PRO CG 1 1 16 7109 1 1 29 PRO HA H 13.999 16.494 8.941 1.00 . A A . 29 PRO HA 1 1 16 7110 1 1 29 PRO HB2 H 16.597 15.776 9.261 1.00 . A A . 29 PRO HB2 1 1 16 7111 1 1 29 PRO HB3 H 15.673 16.621 10.509 1.00 . A A . 29 PRO HB3 1 1 16 7112 1 1 29 PRO HD2 H 14.280 13.069 11.174 1.00 . A A . 29 PRO HD2 1 1 16 7113 1 1 29 PRO HD3 H 14.062 14.617 12.014 1.00 . A A . 29 PRO HD3 1 1 16 7114 1 1 29 PRO HG2 H 16.301 13.704 10.266 1.00 . A A . 29 PRO HG2 1 1 16 7115 1 1 29 PRO HG3 H 16.343 14.741 11.704 1.00 . A A . 29 PRO HG3 1 1 16 7116 1 1 29 PRO N N 13.641 14.665 9.943 1.00 . A A . 29 PRO N 1 1 16 7117 1 1 29 PRO O O 15.241 15.573 6.828 1.00 . A A . 29 PRO O 1 1 16 7118 1 1 30 SER C C 13.710 13.098 5.392 1.00 . A A . 30 SER C 1 1 16 7119 1 1 30 SER CA C 14.820 12.866 6.412 1.00 . A A . 30 SER CA 1 1 16 7120 1 1 30 SER CB C 14.961 11.369 6.698 1.00 . A A . 30 SER CB 1 1 16 7121 1 1 30 SER H H 14.191 13.110 8.419 1.00 . A A . 30 SER H 1 1 16 7122 1 1 30 SER HA H 15.750 13.234 6.005 1.00 . A A . 30 SER HA 1 1 16 7123 1 1 30 SER HB2 H 15.479 11.231 7.634 1.00 . A A . 30 SER HB2 1 1 16 7124 1 1 30 SER HB3 H 13.978 10.924 6.761 1.00 . A A . 30 SER HB3 1 1 16 7125 1 1 30 SER HG H 15.094 10.473 4.961 1.00 . A A . 30 SER HG 1 1 16 7126 1 1 30 SER N N 14.552 13.594 7.647 1.00 . A A . 30 SER N 1 1 16 7127 1 1 30 SER O O 13.443 12.248 4.542 1.00 . A A . 30 SER O 1 1 16 7128 1 1 30 SER OG O 15.691 10.720 5.671 1.00 . A A . 30 SER OG 1 1 16 7129 1 1 31 CYS C C 12.506 15.410 3.387 1.00 . A A . 31 CYS C 1 1 16 7130 1 1 31 CYS CA C 11.982 14.603 4.571 1.00 . A A . 31 CYS CA 1 1 16 7131 1 1 31 CYS CB C 10.901 15.399 5.306 1.00 . A A . 31 CYS CB 1 1 16 7132 1 1 31 CYS H H 13.322 14.894 6.183 1.00 . A A . 31 CYS H 1 1 16 7133 1 1 31 CYS HA H 11.551 13.684 4.202 1.00 . A A . 31 CYS HA 1 1 16 7134 1 1 31 CYS HB2 H 11.207 15.542 6.333 1.00 . A A . 31 CYS HB2 1 1 16 7135 1 1 31 CYS HB3 H 10.789 16.362 4.832 1.00 . A A . 31 CYS HB3 1 1 16 7136 1 1 31 CYS N N 13.064 14.256 5.484 1.00 . A A . 31 CYS N 1 1 16 7137 1 1 31 CYS O O 12.578 16.637 3.442 1.00 . A A . 31 CYS O 1 1 16 7138 1 1 31 CYS SG S 9.267 14.594 5.324 1.00 . A A . 31 CYS SG 1 1 16 7139 1 1 32 ASN C C 12.281 15.573 0.092 1.00 . A A . 32 ASN C 1 1 16 7140 1 1 32 ASN CA C 13.389 15.362 1.119 1.00 . A A . 32 ASN CA 1 1 16 7141 1 1 32 ASN CB C 14.516 14.528 0.506 1.00 . A A . 32 ASN CB 1 1 16 7142 1 1 32 ASN CG C 14.027 13.190 -0.013 1.00 . A A . 32 ASN CG 1 1 16 7143 1 1 32 ASN H H 12.790 13.735 2.333 1.00 . A A . 32 ASN H 1 1 16 7144 1 1 32 ASN HA H 13.783 16.325 1.409 1.00 . A A . 32 ASN HA 1 1 16 7145 1 1 32 ASN HB2 H 14.953 15.074 -0.317 1.00 . A A . 32 ASN HB2 1 1 16 7146 1 1 32 ASN HB3 H 15.272 14.348 1.256 1.00 . A A . 32 ASN HB3 1 1 16 7147 1 1 32 ASN HD21 H 13.551 14.014 -1.759 1.00 . A A . 32 ASN HD21 1 1 16 7148 1 1 32 ASN HD22 H 13.233 12.322 -1.616 1.00 . A A . 32 ASN HD22 1 1 16 7149 1 1 32 ASN N N 12.871 14.711 2.317 1.00 . A A . 32 ASN N 1 1 16 7150 1 1 32 ASN ND2 N 13.556 13.174 -1.255 1.00 . A A . 32 ASN ND2 1 1 16 7151 1 1 32 ASN O O 12.550 15.823 -1.083 1.00 . A A . 32 ASN O 1 1 16 7152 1 1 32 ASN OD1 O 14.072 12.182 0.693 1.00 . A A . 32 ASN OD1 1 1 17 7153 1 1 1 2KT C1 C -1.549 3.728 18.189 1.00 . A A . 1 2KT C1 1 1 17 7154 1 1 1 2KT C2 C -1.776 2.599 17.505 1.00 . A A . 1 2KT C2 1 1 17 7155 1 1 1 2KT C3 C -2.962 2.289 17.163 1.00 . A A . 1 2KT C3 1 1 17 7156 1 1 1 2KT C4 C -3.451 3.028 16.226 1.00 . A A . 1 2KT C4 1 1 17 7157 1 1 1 2KT H31 H -3.716 2.410 17.809 1.00 . A A . 1 2KT H31 1 1 17 7158 1 1 1 2KT H32 H -3.176 1.350 16.895 1.00 . A A . 1 2KT H32 1 1 17 7159 1 1 1 2KT H41 H -3.797 3.941 16.439 1.00 . A A . 1 2KT H41 1 1 17 7160 1 1 1 2KT H42 H -2.883 3.288 15.446 1.00 . A A . 1 2KT H42 1 1 17 7161 1 1 1 2KT H43 H -4.244 2.712 15.704 1.00 . A A . 1 2KT H43 1 1 17 7162 1 1 1 2KT O1 O -2.510 4.458 18.434 1.00 . A A . 1 2KT O1 1 1 17 7163 1 1 1 2KT O3 O -0.816 1.879 17.220 1.00 . A A . 1 2KT O3 1 1 17 7164 1 1 2 ILE C C -0.492 6.466 18.577 1.00 . A A . 2 ILE C 1 1 17 7165 1 1 2 ILE CA C 0.001 5.227 19.316 1.00 . A A . 2 ILE CA 1 1 17 7166 1 1 2 ILE CB C 1.514 5.362 19.569 1.00 . A A . 2 ILE CB 1 1 17 7167 1 1 2 ILE CD1 C 2.165 4.749 17.186 1.00 . A A . 2 ILE CD1 1 1 17 7168 1 1 2 ILE CG1 C 2.232 5.785 18.286 1.00 . A A . 2 ILE CG1 1 1 17 7169 1 1 2 ILE CG2 C 2.083 4.051 20.092 1.00 . A A . 2 ILE CG2 1 1 17 7170 1 1 2 ILE H H 0.415 3.392 18.346 1.00 . A A . 2 ILE H 1 1 17 7171 1 1 2 ILE HA H -0.499 5.168 20.272 1.00 . A A . 2 ILE HA 1 1 17 7172 1 1 2 ILE HB H 1.665 6.118 20.324 1.00 . A A . 2 ILE HB 1 1 17 7173 1 1 2 ILE HD11 H 2.809 5.048 16.371 1.00 . A A . 2 ILE HD11 1 1 17 7174 1 1 2 ILE HD12 H 2.492 3.794 17.570 1.00 . A A . 2 ILE HD12 1 1 17 7175 1 1 2 ILE HD13 H 1.150 4.667 16.830 1.00 . A A . 2 ILE HD13 1 1 17 7176 1 1 2 ILE HG12 H 1.785 6.693 17.913 1.00 . A A . 2 ILE HG12 1 1 17 7177 1 1 2 ILE HG13 H 3.274 5.967 18.509 1.00 . A A . 2 ILE HG13 1 1 17 7178 1 1 2 ILE HG21 H 2.955 3.781 19.516 1.00 . A A . 2 ILE HG21 1 1 17 7179 1 1 2 ILE HG22 H 2.360 4.168 21.129 1.00 . A A . 2 ILE HG22 1 1 17 7180 1 1 2 ILE HG23 H 1.338 3.274 20.003 1.00 . A A . 2 ILE HG23 1 1 17 7181 1 1 2 ILE N N -0.309 4.013 18.571 1.00 . A A . 2 ILE N 1 1 17 7182 1 1 2 ILE O O -0.954 6.377 17.439 1.00 . A A . 2 ILE O 1 1 17 7183 1 1 3 . C C -2.114 9.346 19.291 1.00 . A A . 3 DBB C 1 1 17 7184 1 1 3 . CA C -0.827 8.869 18.643 1.00 . A A . 3 DBB CA 1 1 17 7185 1 1 3 . CB C 0.260 9.955 18.794 1.00 . A A . 3 DBB CB 1 1 17 7186 1 1 3 . CG C 1.518 9.494 18.059 1.00 . A A . 3 DBB CG 1 1 17 7187 1 1 3 . H H -0.009 7.614 20.139 1.00 . A A . 3 DBB H 1 1 17 7188 1 1 3 . HA H -1.003 8.708 17.591 1.00 . A A . 3 DBB HA 1 1 17 7189 1 1 3 . HB3 H 0.495 10.023 19.850 1.00 . A A . 3 DBB HB3 1 1 17 7190 1 1 3 . HG1 H 2.265 9.198 18.778 1.00 . A A . 3 DBB HG1 1 1 17 7191 1 1 3 . HG2 H 1.897 10.301 17.452 1.00 . A A . 3 DBB HG2 1 1 17 7192 1 1 3 . HG3 H 1.271 8.651 17.429 1.00 . A A . 3 DBB HG3 1 1 17 7193 1 1 3 . N N -0.389 7.613 19.228 1.00 . A A . 3 DBB N 1 1 17 7194 1 1 3 . O O -2.712 10.330 18.853 1.00 . A A . 3 DBB O 1 1 17 7195 1 1 4 LEU C C -3.520 9.973 22.145 1.00 . A A . 4 LEU C 1 1 17 7196 1 1 4 LEU CA C -3.786 8.977 21.021 1.00 . A A . 4 LEU CA 1 1 17 7197 1 1 4 LEU CB C -4.443 7.717 21.586 1.00 . A A . 4 LEU CB 1 1 17 7198 1 1 4 LEU CD1 C -4.179 5.831 19.955 1.00 . A A . 4 LEU CD1 1 1 17 7199 1 1 4 LEU CD2 C -6.313 6.085 21.234 1.00 . A A . 4 LEU CD2 1 1 17 7200 1 1 4 LEU CG C -5.156 6.819 20.573 1.00 . A A . 4 LEU CG 1 1 17 7201 1 1 4 LEU H H -2.032 7.862 20.628 1.00 . A A . 4 LEU H 1 1 17 7202 1 1 4 LEU HA H -4.455 9.432 20.305 1.00 . A A . 4 LEU HA 1 1 17 7203 1 1 4 LEU HB2 H -3.674 7.130 22.064 1.00 . A A . 4 LEU HB2 1 1 17 7204 1 1 4 LEU HB3 H -5.169 8.026 22.325 1.00 . A A . 4 LEU HB3 1 1 17 7205 1 1 4 LEU HD11 H -4.165 5.961 18.884 1.00 . A A . 4 LEU HD11 1 1 17 7206 1 1 4 LEU HD12 H -4.488 4.824 20.192 1.00 . A A . 4 LEU HD12 1 1 17 7207 1 1 4 LEU HD13 H -3.190 6.007 20.353 1.00 . A A . 4 LEU HD13 1 1 17 7208 1 1 4 LEU HD21 H -6.955 6.798 21.730 1.00 . A A . 4 LEU HD21 1 1 17 7209 1 1 4 LEU HD22 H -5.928 5.382 21.957 1.00 . A A . 4 LEU HD22 1 1 17 7210 1 1 4 LEU HD23 H -6.878 5.554 20.481 1.00 . A A . 4 LEU HD23 1 1 17 7211 1 1 4 LEU HG H -5.557 7.433 19.778 1.00 . A A . 4 LEU HG 1 1 17 7212 1 1 4 LEU N N -2.551 8.635 20.325 1.00 . A A . 4 LEU N 1 1 17 7213 1 1 4 LEU O O -2.626 9.751 22.968 1.00 . A A . 4 LEU O 1 1 17 7214 1 1 5 DHA C C -3.985 13.368 22.769 1.00 . A A . 5 DHA C 1 1 17 7215 1 1 5 DHA CA C -4.149 12.014 23.136 1.00 . A A . 5 DHA CA 1 1 17 7216 1 1 5 DHA CB C -4.195 11.673 24.429 1.00 . A A . 5 DHA CB 1 1 17 7217 1 1 5 DHA H H -4.969 11.115 21.462 1.00 . A A . 5 DHA H 1 1 17 7218 1 1 5 DHA HB1 H -4.331 10.639 24.713 1.00 . A A . 5 DHA HB1 1 1 17 7219 1 1 5 DHA HB2 H -4.128 12.431 25.189 1.00 . A A . 5 DHA HB2 1 1 17 7220 1 1 5 DHA N N -4.297 11.054 22.168 1.00 . A A . 5 DHA N 1 1 17 7221 1 1 5 DHA O O -4.955 14.070 22.466 1.00 . A A . 5 DHA O 1 1 17 7222 1 1 6 DBU C C -1.753 15.298 20.965 1.00 . A A . 6 DBU C 1 1 17 7223 1 1 6 DBU CA C -2.471 15.064 22.283 1.00 . A A . 6 DBU CA 1 1 17 7224 1 1 6 DBU CB C -2.851 16.108 23.036 1.00 . A A . 6 DBU CB 1 1 17 7225 1 1 6 DBU CG C -3.561 15.850 24.333 1.00 . A A . 6 DBU CG 1 1 17 7226 1 1 6 DBU H1 H -2.031 13.150 22.954 1.00 . A A . 6 DBU H1 1 1 17 7227 1 1 6 DBU HB1 H -2.639 17.117 22.712 1.00 . A A . 6 DBU HB1 1 1 17 7228 1 1 6 DBU HG1 H -3.436 14.816 24.613 1.00 . A A . 6 DBU HG1 1 1 17 7229 1 1 6 DBU HG2 H -4.612 16.058 24.217 1.00 . A A . 6 DBU HG2 1 1 17 7230 1 1 6 DBU HG3 H -3.144 16.489 25.099 1.00 . A A . 6 DBU HG3 1 1 17 7231 1 1 6 DBU N N -2.728 13.789 22.688 1.00 . A A . 6 DBU N 1 1 17 7232 1 1 6 DBU O O -1.635 16.429 20.492 1.00 . A A . 6 DBU O 1 1 17 7233 1 1 7 CYS C C -1.445 14.320 17.939 1.00 . A A . 7 CYS C 1 1 17 7234 1 1 7 CYS CA C -0.498 14.296 19.135 1.00 . A A . 7 CYS CA 1 1 17 7235 1 1 7 CYS CB C 0.465 13.114 19.014 1.00 . A A . 7 CYS CB 1 1 17 7236 1 1 7 CYS H H -1.370 13.341 20.811 1.00 . A A . 7 CYS H 1 1 17 7237 1 1 7 CYS HA H 0.071 15.213 19.146 1.00 . A A . 7 CYS HA 1 1 17 7238 1 1 7 CYS HB2 H 1.308 13.407 18.405 1.00 . A A . 7 CYS HB2 1 1 17 7239 1 1 7 CYS HB3 H 0.816 12.843 19.999 1.00 . A A . 7 CYS HB3 1 1 17 7240 1 1 7 CYS N N -1.243 14.216 20.386 1.00 . A A . 7 CYS N 1 1 17 7241 1 1 7 CYS O O -1.269 15.108 17.010 1.00 . A A . 7 CYS O 1 1 17 7242 1 1 7 CYS SG S -0.272 11.629 18.260 1.00 . A A . 7 CYS SG 1 1 17 7243 1 1 8 ALA C C -4.390 14.553 16.935 1.00 . A A . 8 ALA C 1 1 17 7244 1 1 8 ALA CA C -3.426 13.373 16.889 1.00 . A A . 8 ALA CA 1 1 17 7245 1 1 8 ALA CB C -4.192 12.060 16.963 1.00 . A A . 8 ALA CB 1 1 17 7246 1 1 8 ALA H H -2.537 12.848 18.737 1.00 . A A . 8 ALA H 1 1 17 7247 1 1 8 ALA HA H -2.889 13.395 15.952 1.00 . A A . 8 ALA HA 1 1 17 7248 1 1 8 ALA HB1 H -3.492 11.237 16.984 1.00 . A A . 8 ALA HB1 1 1 17 7249 1 1 8 ALA HB2 H -4.793 12.044 17.860 1.00 . A A . 8 ALA HB2 1 1 17 7250 1 1 8 ALA HB3 H -4.831 11.968 16.099 1.00 . A A . 8 ALA HB3 1 1 17 7251 1 1 8 ALA N N -2.450 13.450 17.969 1.00 . A A . 8 ALA N 1 1 17 7252 1 1 8 ALA O O -5.241 14.706 16.058 1.00 . A A . 8 ALA O 1 1 17 7253 1 1 9 ILE C C -4.446 17.804 17.561 1.00 . A A . 9 ILE C 1 1 17 7254 1 1 9 ILE CA C -5.111 16.551 18.121 1.00 . A A . 9 ILE CA 1 1 17 7255 1 1 9 ILE CB C -5.468 16.790 19.600 1.00 . A A . 9 ILE CB 1 1 17 7256 1 1 9 ILE CD1 C -7.054 15.895 21.378 1.00 . A A . 9 ILE CD1 1 1 17 7257 1 1 9 ILE CG1 C -6.197 15.574 20.174 1.00 . A A . 9 ILE CG1 1 1 17 7258 1 1 9 ILE CG2 C -6.322 18.042 19.742 1.00 . A A . 9 ILE CG2 1 1 17 7259 1 1 9 ILE H H -3.556 15.210 18.629 1.00 . A A . 9 ILE H 1 1 17 7260 1 1 9 ILE HA H -6.026 16.368 17.575 1.00 . A A . 9 ILE HA 1 1 17 7261 1 1 9 ILE HB H -4.552 16.945 20.148 1.00 . A A . 9 ILE HB 1 1 17 7262 1 1 9 ILE HD11 H -7.111 15.028 22.021 1.00 . A A . 9 ILE HD11 1 1 17 7263 1 1 9 ILE HD12 H -6.615 16.718 21.924 1.00 . A A . 9 ILE HD12 1 1 17 7264 1 1 9 ILE HD13 H -8.046 16.168 21.052 1.00 . A A . 9 ILE HD13 1 1 17 7265 1 1 9 ILE HG12 H -6.837 15.153 19.415 1.00 . A A . 9 ILE HG12 1 1 17 7266 1 1 9 ILE HG13 H -5.467 14.835 20.473 1.00 . A A . 9 ILE HG13 1 1 17 7267 1 1 9 ILE HG21 H -5.984 18.613 20.595 1.00 . A A . 9 ILE HG21 1 1 17 7268 1 1 9 ILE HG22 H -6.232 18.642 18.850 1.00 . A A . 9 ILE HG22 1 1 17 7269 1 1 9 ILE HG23 H -7.354 17.759 19.885 1.00 . A A . 9 ILE HG23 1 1 17 7270 1 1 9 ILE N N -4.252 15.384 17.962 1.00 . A A . 9 ILE N 1 1 17 7271 1 1 9 ILE O O -5.061 18.566 16.814 1.00 . A A . 9 ILE O 1 1 17 7272 1 1 10 LEU C C -1.578 18.813 16.247 1.00 . A A . 10 LEU C 1 1 17 7273 1 1 10 LEU CA C -2.434 19.170 17.458 1.00 . A A . 10 LEU CA 1 1 17 7274 1 1 10 LEU CB C -1.549 19.715 18.580 1.00 . A A . 10 LEU CB 1 1 17 7275 1 1 10 LEU CD1 C -1.129 21.747 19.986 1.00 . A A . 10 LEU CD1 1 1 17 7276 1 1 10 LEU CD2 C -0.085 21.560 17.721 1.00 . A A . 10 LEU CD2 1 1 17 7277 1 1 10 LEU CG C -1.303 21.224 18.569 1.00 . A A . 10 LEU CG 1 1 17 7278 1 1 10 LEU H H -2.748 17.368 18.522 1.00 . A A . 10 LEU H 1 1 17 7279 1 1 10 LEU HA H -3.144 19.931 17.169 1.00 . A A . 10 LEU HA 1 1 17 7280 1 1 10 LEU HB2 H -2.014 19.463 19.520 1.00 . A A . 10 LEU HB2 1 1 17 7281 1 1 10 LEU HB3 H -0.589 19.222 18.512 1.00 . A A . 10 LEU HB3 1 1 17 7282 1 1 10 LEU HD11 H -2.016 22.288 20.282 1.00 . A A . 10 LEU HD11 1 1 17 7283 1 1 10 LEU HD12 H -0.276 22.408 20.024 1.00 . A A . 10 LEU HD12 1 1 17 7284 1 1 10 LEU HD13 H -0.971 20.917 20.659 1.00 . A A . 10 LEU HD13 1 1 17 7285 1 1 10 LEU HD21 H 0.433 22.403 18.154 1.00 . A A . 10 LEU HD21 1 1 17 7286 1 1 10 LEU HD22 H -0.402 21.808 16.719 1.00 . A A . 10 LEU HD22 1 1 17 7287 1 1 10 LEU HD23 H 0.577 20.707 17.688 1.00 . A A . 10 LEU HD23 1 1 17 7288 1 1 10 LEU HG H -2.161 21.719 18.134 1.00 . A A . 10 LEU HG 1 1 17 7289 1 1 10 LEU N N -3.185 18.010 17.925 1.00 . A A . 10 LEU N 1 1 17 7290 1 1 10 LEU O O -0.613 19.508 15.924 1.00 . A A . 10 LEU O 1 1 17 7291 1 1 11 DAL C C -1.319 18.280 13.261 1.00 . A A . 11 DAL C 1 1 17 7292 1 1 11 DAL CA C -1.199 17.279 14.409 1.00 . A A . 11 DAL CA 1 1 17 7293 1 1 11 DAL CB C 0.271 17.075 14.764 1.00 . A A . 11 DAL CB 1 1 17 7294 1 1 11 DAL H H -2.713 17.210 15.880 1.00 . A A . 11 DAL H 1 1 17 7295 1 1 11 DAL HA H -1.617 16.334 14.098 1.00 . A A . 11 DAL HA 1 1 17 7296 1 1 11 DAL HB2 H 0.334 16.605 15.733 1.00 . A A . 11 DAL HB2 1 1 17 7297 1 1 11 DAL HB3 H 0.760 18.043 14.807 1.00 . A A . 11 DAL HB3 1 1 17 7298 1 1 11 DAL N N -1.935 17.729 15.579 1.00 . A A . 11 DAL N 1 1 17 7299 1 1 11 DAL O O -0.318 18.748 12.719 1.00 . A A . 11 DAL O 1 1 17 7300 1 1 12 LYS C C -1.775 19.396 10.705 1.00 . A A . 12 LYS C 1 1 17 7301 1 1 12 LYS CA C -2.814 19.542 11.813 1.00 . A A . 12 LYS CA 1 1 17 7302 1 1 12 LYS CB C -2.809 20.977 12.345 1.00 . A A . 12 LYS CB 1 1 17 7303 1 1 12 LYS CD C -1.535 22.757 13.575 1.00 . A A . 12 LYS CD 1 1 17 7304 1 1 12 LYS CE C -2.799 23.317 14.209 1.00 . A A . 12 LYS CE 1 1 17 7305 1 1 12 LYS CG C -1.663 21.269 13.297 1.00 . A A . 12 LYS CG 1 1 17 7306 1 1 12 LYS H H -3.313 18.194 13.367 1.00 . A A . 12 LYS H 1 1 17 7307 1 1 12 LYS HA H -3.789 19.320 11.406 1.00 . A A . 12 LYS HA 1 1 17 7308 1 1 12 LYS HB2 H -2.738 21.658 11.509 1.00 . A A . 12 LYS HB2 1 1 17 7309 1 1 12 LYS HB3 H -3.738 21.157 12.867 1.00 . A A . 12 LYS HB3 1 1 17 7310 1 1 12 LYS HD2 H -0.706 22.919 14.249 1.00 . A A . 12 LYS HD2 1 1 17 7311 1 1 12 LYS HD3 H -1.350 23.274 12.644 1.00 . A A . 12 LYS HD3 1 1 17 7312 1 1 12 LYS HE2 H -3.231 22.562 14.848 1.00 . A A . 12 LYS HE2 1 1 17 7313 1 1 12 LYS HE3 H -2.537 24.182 14.800 1.00 . A A . 12 LYS HE3 1 1 17 7314 1 1 12 LYS HG2 H -1.841 20.754 14.229 1.00 . A A . 12 LYS HG2 1 1 17 7315 1 1 12 LYS HG3 H -0.742 20.913 12.857 1.00 . A A . 12 LYS HG3 1 1 17 7316 1 1 12 LYS HZ1 H -4.717 23.262 13.382 1.00 . A A . 12 LYS HZ1 1 1 17 7317 1 1 12 LYS HZ2 H -3.482 23.427 12.238 1.00 . A A . 12 LYS HZ2 1 1 17 7318 1 1 12 LYS HZ3 H -3.932 24.748 13.193 1.00 . A A . 12 LYS HZ3 1 1 17 7319 1 1 12 LYS N N -2.555 18.601 12.896 1.00 . A A . 12 LYS N 1 1 17 7320 1 1 12 LYS NZ N -3.803 23.716 13.184 1.00 . A A . 12 LYS NZ 1 1 17 7321 1 1 12 LYS O O -1.151 20.366 10.274 1.00 . A A . 12 LYS O 1 1 17 7322 1 1 13 PRO C C -1.061 18.408 7.816 1.00 . A A . 13 PRO C 1 1 17 7323 1 1 13 PRO CA C -0.622 17.854 9.167 1.00 . A A . 13 PRO CA 1 1 17 7324 1 1 13 PRO CB C -0.597 16.324 9.135 1.00 . A A . 13 PRO CB 1 1 17 7325 1 1 13 PRO CD C -2.292 16.952 10.699 1.00 . A A . 13 PRO CD 1 1 17 7326 1 1 13 PRO CG C -1.921 15.912 9.678 1.00 . A A . 13 PRO CG 1 1 17 7327 1 1 13 PRO HA H 0.363 18.228 9.405 1.00 . A A . 13 PRO HA 1 1 17 7328 1 1 13 PRO HB2 H -0.464 15.985 8.117 1.00 . A A . 13 PRO HB2 1 1 17 7329 1 1 13 PRO HB3 H 0.213 15.961 9.750 1.00 . A A . 13 PRO HB3 1 1 17 7330 1 1 13 PRO HD2 H -3.360 17.111 10.704 1.00 . A A . 13 PRO HD2 1 1 17 7331 1 1 13 PRO HD3 H -1.947 16.659 11.679 1.00 . A A . 13 PRO HD3 1 1 17 7332 1 1 13 PRO HG2 H -2.652 15.887 8.885 1.00 . A A . 13 PRO HG2 1 1 17 7333 1 1 13 PRO HG3 H -1.839 14.941 10.146 1.00 . A A . 13 PRO HG3 1 1 17 7334 1 1 13 PRO N N -1.584 18.156 10.232 1.00 . A A . 13 PRO N 1 1 17 7335 1 1 13 PRO O O -2.196 18.859 7.657 1.00 . A A . 13 PRO O 1 1 17 7336 1 1 14 LEU C C -0.596 17.718 4.516 1.00 . A A . 14 LEU C 1 1 17 7337 1 1 14 LEU CA C -0.450 18.870 5.505 1.00 . A A . 14 LEU CA 1 1 17 7338 1 1 14 LEU CB C 0.654 19.820 5.039 1.00 . A A . 14 LEU CB 1 1 17 7339 1 1 14 LEU CD1 C 2.841 20.186 3.870 1.00 . A A . 14 LEU CD1 1 1 17 7340 1 1 14 LEU CD2 C 2.673 18.489 5.700 1.00 . A A . 14 LEU CD2 1 1 17 7341 1 1 14 LEU CG C 1.943 19.162 4.547 1.00 . A A . 14 LEU CG 1 1 17 7342 1 1 14 LEU H H 0.732 18.001 7.031 1.00 . A A . 14 LEU H 1 1 17 7343 1 1 14 LEU HA H -1.384 19.410 5.550 1.00 . A A . 14 LEU HA 1 1 17 7344 1 1 14 LEU HB2 H 0.258 20.417 4.232 1.00 . A A . 14 LEU HB2 1 1 17 7345 1 1 14 LEU HB3 H 0.907 20.465 5.870 1.00 . A A . 14 LEU HB3 1 1 17 7346 1 1 14 LEU HD11 H 2.292 21.104 3.722 1.00 . A A . 14 LEU HD11 1 1 17 7347 1 1 14 LEU HD12 H 3.167 19.803 2.914 1.00 . A A . 14 LEU HD12 1 1 17 7348 1 1 14 LEU HD13 H 3.702 20.377 4.493 1.00 . A A . 14 LEU HD13 1 1 17 7349 1 1 14 LEU HD21 H 2.249 17.512 5.873 1.00 . A A . 14 LEU HD21 1 1 17 7350 1 1 14 LEU HD22 H 2.569 19.091 6.591 1.00 . A A . 14 LEU HD22 1 1 17 7351 1 1 14 LEU HD23 H 3.721 18.390 5.454 1.00 . A A . 14 LEU HD23 1 1 17 7352 1 1 14 LEU HG H 1.696 18.402 3.818 1.00 . A A . 14 LEU HG 1 1 17 7353 1 1 14 LEU N N -0.156 18.372 6.844 1.00 . A A . 14 LEU N 1 1 17 7354 1 1 14 LEU O O -0.719 16.559 4.910 1.00 . A A . 14 LEU O 1 1 17 7355 1 1 15 GLY C C 0.323 15.927 2.343 1.00 . A A . 15 GLY C 1 1 17 7356 1 1 15 GLY CA C -0.709 17.028 2.201 1.00 . A A . 15 GLY CA 1 1 17 7357 1 1 15 GLY H H -0.478 18.987 2.971 1.00 . A A . 15 GLY H 1 1 17 7358 1 1 15 GLY HA2 H -1.695 16.593 2.263 1.00 . A A . 15 GLY HA2 1 1 17 7359 1 1 15 GLY HA3 H -0.591 17.492 1.233 1.00 . A A . 15 GLY HA3 1 1 17 7360 1 1 15 GLY N N -0.579 18.046 3.227 1.00 . A A . 15 GLY N 1 1 17 7361 1 1 15 GLY O O 1.371 15.962 1.700 1.00 . A A . 15 GLY O 1 1 17 7362 1 1 16 ASN C C 0.166 12.529 3.611 1.00 . A A . 16 ASN C 1 1 17 7363 1 1 16 ASN CA C 0.938 13.830 3.417 1.00 . A A . 16 ASN CA 1 1 17 7364 1 1 16 ASN CB C 1.816 14.103 4.640 1.00 . A A . 16 ASN CB 1 1 17 7365 1 1 16 ASN CG C 2.974 13.129 4.748 1.00 . A A . 16 ASN CG 1 1 17 7366 1 1 16 ASN H H -0.825 14.973 3.674 1.00 . A A . 16 ASN H 1 1 17 7367 1 1 16 ASN HA H 1.568 13.735 2.546 1.00 . A A . 16 ASN HA 1 1 17 7368 1 1 16 ASN HB2 H 2.218 15.103 4.571 1.00 . A A . 16 ASN HB2 1 1 17 7369 1 1 16 ASN HB3 H 1.216 14.021 5.533 1.00 . A A . 16 ASN HB3 1 1 17 7370 1 1 16 ASN HD21 H 3.878 14.314 6.065 1.00 . A A . 16 ASN HD21 1 1 17 7371 1 1 16 ASN HD22 H 4.716 12.856 5.666 1.00 . A A . 16 ASN HD22 1 1 17 7372 1 1 16 ASN N N 0.026 14.946 3.190 1.00 . A A . 16 ASN N 1 1 17 7373 1 1 16 ASN ND2 N 3.955 13.467 5.577 1.00 . A A . 16 ASN ND2 1 1 17 7374 1 1 16 ASN O O 0.455 11.754 4.522 1.00 . A A . 16 ASN O 1 1 17 7375 1 1 16 ASN OD1 O 2.985 12.086 4.095 1.00 . A A . 16 ASN OD1 1 1 17 7376 1 1 17 ASN C C -2.473 11.078 4.095 1.00 . A A . 17 ASN C 1 1 17 7377 1 1 17 ASN CA C -1.630 11.087 2.824 1.00 . A A . 17 ASN CA 1 1 17 7378 1 1 17 ASN CB C -0.740 9.844 2.780 1.00 . A A . 17 ASN CB 1 1 17 7379 1 1 17 ASN CG C -1.260 8.729 3.667 1.00 . A A . 17 ASN CG 1 1 17 7380 1 1 17 ASN H H -1.000 12.951 2.042 1.00 . A A . 17 ASN H 1 1 17 7381 1 1 17 ASN HA H -2.289 11.077 1.969 1.00 . A A . 17 ASN HA 1 1 17 7382 1 1 17 ASN HB2 H -0.692 9.478 1.765 1.00 . A A . 17 ASN HB2 1 1 17 7383 1 1 17 ASN HB3 H 0.254 10.108 3.110 1.00 . A A . 17 ASN HB3 1 1 17 7384 1 1 17 ASN HD21 H -1.506 7.551 2.083 1.00 . A A . 17 ASN HD21 1 1 17 7385 1 1 17 ASN HD22 H -1.945 6.864 3.606 1.00 . A A . 17 ASN HD22 1 1 17 7386 1 1 17 ASN N N -0.817 12.295 2.748 1.00 . A A . 17 ASN N 1 1 17 7387 1 1 17 ASN ND2 N -1.605 7.601 3.057 1.00 . A A . 17 ASN ND2 1 1 17 7388 1 1 17 ASN O O -3.270 10.168 4.318 1.00 . A A . 17 ASN O 1 1 17 7389 1 1 17 ASN OD1 O -1.350 8.880 4.885 1.00 . A A . 17 ASN OD1 1 1 17 7390 1 1 18 GLY C C -2.484 11.291 7.249 1.00 . A A . 18 GLY C 1 1 17 7391 1 1 18 GLY CA C -3.042 12.191 6.165 1.00 . A A . 18 GLY CA 1 1 17 7392 1 1 18 GLY H H -1.642 12.798 4.697 1.00 . A A . 18 GLY H 1 1 17 7393 1 1 18 GLY HA2 H -3.020 13.213 6.513 1.00 . A A . 18 GLY HA2 1 1 17 7394 1 1 18 GLY HA3 H -4.067 11.910 5.973 1.00 . A A . 18 GLY HA3 1 1 17 7395 1 1 18 GLY N N -2.292 12.100 4.927 1.00 . A A . 18 GLY N 1 1 17 7396 1 1 18 GLY O O -3.136 11.055 8.267 1.00 . A A . 18 GLY O 1 1 17 7397 1 1 19 TYR C C -0.477 10.593 9.349 1.00 . A A . 19 TYR C 1 1 17 7398 1 1 19 TYR CA C -0.630 9.903 7.996 1.00 . A A . 19 TYR CA 1 1 17 7399 1 1 19 TYR CB C 0.740 9.461 7.479 1.00 . A A . 19 TYR CB 1 1 17 7400 1 1 19 TYR CD1 C 0.561 6.944 7.555 1.00 . A A . 19 TYR CD1 1 1 17 7401 1 1 19 TYR CD2 C 2.200 7.996 8.928 1.00 . A A . 19 TYR CD2 1 1 17 7402 1 1 19 TYR CE1 C 0.955 5.706 8.025 1.00 . A A . 19 TYR CE1 1 1 17 7403 1 1 19 TYR CE2 C 2.601 6.763 9.403 1.00 . A A . 19 TYR CE2 1 1 17 7404 1 1 19 TYR CG C 1.175 8.109 7.997 1.00 . A A . 19 TYR CG 1 1 17 7405 1 1 19 TYR CZ C 1.976 5.621 8.949 1.00 . A A . 19 TYR CZ 1 1 17 7406 1 1 19 TYR H H -0.805 11.011 6.202 1.00 . A A . 19 TYR H 1 1 17 7407 1 1 19 TYR HA H -1.256 9.031 8.118 1.00 . A A . 19 TYR HA 1 1 17 7408 1 1 19 TYR HB2 H 0.711 9.409 6.402 1.00 . A A . 19 TYR HB2 1 1 17 7409 1 1 19 TYR HB3 H 1.482 10.186 7.780 1.00 . A A . 19 TYR HB3 1 1 17 7410 1 1 19 TYR HD1 H -0.238 7.013 6.831 1.00 . A A . 19 TYR HD1 1 1 17 7411 1 1 19 TYR HD2 H 2.687 8.893 9.283 1.00 . A A . 19 TYR HD2 1 1 17 7412 1 1 19 TYR HE1 H 0.466 4.811 7.669 1.00 . A A . 19 TYR HE1 1 1 17 7413 1 1 19 TYR HE2 H 3.400 6.696 10.127 1.00 . A A . 19 TYR HE2 1 1 17 7414 1 1 19 TYR HH H 3.278 4.443 9.731 1.00 . A A . 19 TYR HH 1 1 17 7415 1 1 19 TYR N N -1.275 10.786 7.032 1.00 . A A . 19 TYR N 1 1 17 7416 1 1 19 TYR O O -0.953 11.712 9.546 1.00 . A A . 19 TYR O 1 1 17 7417 1 1 19 TYR OH O 2.372 4.390 9.421 1.00 . A A . 19 TYR OH 1 1 17 7418 1 1 20 LEU C C 1.167 11.784 11.544 1.00 . A A . 20 LEU C 1 1 17 7419 1 1 20 LEU CA C 0.407 10.463 11.613 1.00 . A A . 20 LEU CA 1 1 17 7420 1 1 20 LEU CB C 1.179 9.463 12.475 1.00 . A A . 20 LEU CB 1 1 17 7421 1 1 20 LEU CD1 C 1.396 7.157 13.435 1.00 . A A . 20 LEU CD1 1 1 17 7422 1 1 20 LEU CD2 C -0.704 8.468 13.798 1.00 . A A . 20 LEU CD2 1 1 17 7423 1 1 20 LEU CG C 0.438 8.175 12.835 1.00 . A A . 20 LEU CG 1 1 17 7424 1 1 20 LEU H H 0.545 9.030 10.062 1.00 . A A . 20 LEU H 1 1 17 7425 1 1 20 LEU HA H -0.560 10.641 12.060 1.00 . A A . 20 LEU HA 1 1 17 7426 1 1 20 LEU HB2 H 2.076 9.190 11.941 1.00 . A A . 20 LEU HB2 1 1 17 7427 1 1 20 LEU HB3 H 1.448 9.960 13.396 1.00 . A A . 20 LEU HB3 1 1 17 7428 1 1 20 LEU HD11 H 1.376 6.253 12.845 1.00 . A A . 20 LEU HD11 1 1 17 7429 1 1 20 LEU HD12 H 1.095 6.934 14.448 1.00 . A A . 20 LEU HD12 1 1 17 7430 1 1 20 LEU HD13 H 2.397 7.564 13.438 1.00 . A A . 20 LEU HD13 1 1 17 7431 1 1 20 LEU HD21 H -1.285 7.571 13.950 1.00 . A A . 20 LEU HD21 1 1 17 7432 1 1 20 LEU HD22 H -1.334 9.240 13.384 1.00 . A A . 20 LEU HD22 1 1 17 7433 1 1 20 LEU HD23 H -0.300 8.801 14.743 1.00 . A A . 20 LEU HD23 1 1 17 7434 1 1 20 LEU HG H 0.016 7.746 11.936 1.00 . A A . 20 LEU HG 1 1 17 7435 1 1 20 LEU N N 0.190 9.917 10.278 1.00 . A A . 20 LEU N 1 1 17 7436 1 1 20 LEU O O 1.430 12.305 10.459 1.00 . A A . 20 LEU O 1 1 17 7437 1 1 21 CYS C C 3.752 13.333 12.856 1.00 . A A . 21 CYS C 1 1 17 7438 1 1 21 CYS CA C 2.248 13.580 12.780 1.00 . A A . 21 CYS CA 1 1 17 7439 1 1 21 CYS CB C 1.791 14.390 13.996 1.00 . A A . 21 CYS CB 1 1 17 7440 1 1 21 CYS H H 1.279 11.858 13.539 1.00 . A A . 21 CYS H 1 1 17 7441 1 1 21 CYS HA H 2.033 14.141 11.884 1.00 . A A . 21 CYS HA 1 1 17 7442 1 1 21 CYS HB2 H 1.000 13.853 14.499 1.00 . A A . 21 CYS HB2 1 1 17 7443 1 1 21 CYS HB3 H 2.625 14.510 14.672 1.00 . A A . 21 CYS HB3 1 1 17 7444 1 1 21 CYS N N 1.517 12.321 12.708 1.00 . A A . 21 CYS N 1 1 17 7445 1 1 21 CYS O O 4.223 12.228 12.581 1.00 . A A . 21 CYS O 1 1 17 7446 1 1 21 CYS SG S 1.161 16.050 13.589 1.00 . A A . 21 CYS SG 1 1 17 7447 1 1 22 . C C 6.572 14.102 11.966 1.00 . A A . 22 DBB C 1 1 17 7448 1 1 22 . CA C 5.941 14.267 13.336 1.00 . A A . 22 DBB CA 1 1 17 7449 1 1 22 . CB C 6.525 15.516 14.027 1.00 . A A . 22 DBB CB 1 1 17 7450 1 1 22 . CG C 5.774 15.747 15.338 1.00 . A A . 22 DBB CG 1 1 17 7451 1 1 22 . H H 4.054 15.221 13.436 1.00 . A A . 22 DBB H 1 1 17 7452 1 1 22 . HA H 6.178 13.402 13.937 1.00 . A A . 22 DBB HA 1 1 17 7453 1 1 22 . HB3 H 6.329 16.360 13.376 1.00 . A A . 22 DBB HB3 1 1 17 7454 1 1 22 . HG1 H 4.878 15.147 15.348 1.00 . A A . 22 DBB HG1 1 1 17 7455 1 1 22 . HG2 H 5.514 16.790 15.426 1.00 . A A . 22 DBB HG2 1 1 17 7456 1 1 22 . HG3 H 6.408 15.460 16.165 1.00 . A A . 22 DBB HG3 1 1 17 7457 1 1 22 . N N 4.494 14.362 13.230 1.00 . A A . 22 DBB N 1 1 17 7458 1 1 22 . O O 7.568 13.395 11.813 1.00 . A A . 22 DBB O 1 1 17 7459 1 1 23 VAL C C 6.675 16.034 8.988 1.00 . A A . 23 VAL C 1 1 17 7460 1 1 23 VAL CA C 6.478 14.650 9.596 1.00 . A A . 23 VAL CA 1 1 17 7461 1 1 23 VAL CB C 5.519 13.840 8.703 1.00 . A A . 23 VAL CB 1 1 17 7462 1 1 23 VAL CG1 C 6.207 13.438 7.408 1.00 . A A . 23 VAL CG1 1 1 17 7463 1 1 23 VAL CG2 C 5.006 12.616 9.447 1.00 . A A . 23 VAL CG2 1 1 17 7464 1 1 23 VAL H H 5.190 15.292 11.148 1.00 . A A . 23 VAL H 1 1 17 7465 1 1 23 VAL HA H 7.430 14.140 9.622 1.00 . A A . 23 VAL HA 1 1 17 7466 1 1 23 VAL HB H 4.674 14.466 8.457 1.00 . A A . 23 VAL HB 1 1 17 7467 1 1 23 VAL HG11 H 5.924 12.428 7.149 1.00 . A A . 23 VAL HG11 1 1 17 7468 1 1 23 VAL HG12 H 5.909 14.111 6.617 1.00 . A A . 23 VAL HG12 1 1 17 7469 1 1 23 VAL HG13 H 7.278 13.488 7.539 1.00 . A A . 23 VAL HG13 1 1 17 7470 1 1 23 VAL HG21 H 4.792 11.829 8.740 1.00 . A A . 23 VAL HG21 1 1 17 7471 1 1 23 VAL HG22 H 5.757 12.279 10.145 1.00 . A A . 23 VAL HG22 1 1 17 7472 1 1 23 VAL HG23 H 4.104 12.873 9.984 1.00 . A A . 23 VAL HG23 1 1 17 7473 1 1 23 VAL N N 5.980 14.743 10.963 1.00 . A A . 23 VAL N 1 1 17 7474 1 1 23 VAL O O 5.915 16.961 9.274 1.00 . A A . 23 VAL O 1 1 17 7475 1 1 24 . C C 8.693 18.373 8.472 1.00 . A A . 24 DBB C 1 1 17 7476 1 1 24 . CA C 7.997 17.431 7.507 1.00 . A A . 24 DBB CA 1 1 17 7477 1 1 24 . CB C 8.887 17.215 6.265 1.00 . A A . 24 DBB CB 1 1 17 7478 1 1 24 . CG C 8.614 15.820 5.703 1.00 . A A . 24 DBB CG 1 1 17 7479 1 1 24 . H H 8.262 15.381 7.966 1.00 . A A . 24 DBB H 1 1 17 7480 1 1 24 . HA H 7.069 17.879 7.187 1.00 . A A . 24 DBB HA 1 1 17 7481 1 1 24 . HB3 H 9.916 17.243 6.604 1.00 . A A . 24 DBB HB3 1 1 17 7482 1 1 24 . HG1 H 9.240 15.102 6.207 1.00 . A A . 24 DBB HG1 1 1 17 7483 1 1 24 . HG2 H 8.827 15.810 4.645 1.00 . A A . 24 DBB HG2 1 1 17 7484 1 1 24 . HG3 H 7.575 15.570 5.867 1.00 . A A . 24 DBB HG3 1 1 17 7485 1 1 24 . N N 7.691 16.165 8.152 1.00 . A A . 24 DBB N 1 1 17 7486 1 1 24 . O O 8.901 18.038 9.639 1.00 . A A . 24 DBB O 1 1 17 7487 1 1 25 LYS C C 9.470 20.316 10.279 1.00 . A A . 25 LYS C 1 1 17 7488 1 1 25 LYS CA C 9.764 20.534 8.799 1.00 . A A . 25 LYS CA 1 1 17 7489 1 1 25 LYS CB C 9.352 21.950 8.389 1.00 . A A . 25 LYS CB 1 1 17 7490 1 1 25 LYS CD C 11.622 22.952 8.775 1.00 . A A . 25 LYS CD 1 1 17 7491 1 1 25 LYS CE C 11.191 23.794 9.967 1.00 . A A . 25 LYS CE 1 1 17 7492 1 1 25 LYS CG C 10.485 22.763 7.786 1.00 . A A . 25 LYS CG 1 1 17 7493 1 1 25 LYS H H 8.875 19.757 7.042 1.00 . A A . 25 LYS H 1 1 17 7494 1 1 25 LYS HA H 10.825 20.415 8.634 1.00 . A A . 25 LYS HA 1 1 17 7495 1 1 25 LYS HB2 H 8.557 21.883 7.660 1.00 . A A . 25 LYS HB2 1 1 17 7496 1 1 25 LYS HB3 H 8.986 22.472 9.261 1.00 . A A . 25 LYS HB3 1 1 17 7497 1 1 25 LYS HD2 H 11.944 21.985 9.131 1.00 . A A . 25 LYS HD2 1 1 17 7498 1 1 25 LYS HD3 H 12.444 23.446 8.275 1.00 . A A . 25 LYS HD3 1 1 17 7499 1 1 25 LYS HE2 H 11.986 24.481 10.212 1.00 . A A . 25 LYS HE2 1 1 17 7500 1 1 25 LYS HE3 H 10.306 24.350 9.696 1.00 . A A . 25 LYS HE3 1 1 17 7501 1 1 25 LYS HG2 H 10.862 22.248 6.915 1.00 . A A . 25 LYS HG2 1 1 17 7502 1 1 25 LYS HG3 H 10.105 23.733 7.497 1.00 . A A . 25 LYS HG3 1 1 17 7503 1 1 25 LYS HZ1 H 11.056 23.497 12.030 1.00 . A A . 25 LYS HZ1 1 1 17 7504 1 1 25 LYS HZ2 H 11.501 22.112 11.166 1.00 . A A . 25 LYS HZ2 1 1 17 7505 1 1 25 LYS HZ3 H 9.896 22.647 11.138 1.00 . A A . 25 LYS HZ3 1 1 17 7506 1 1 25 LYS N N 9.070 19.548 7.980 1.00 . A A . 25 LYS N 1 1 17 7507 1 1 25 LYS NZ N 10.890 22.954 11.159 1.00 . A A . 25 LYS NZ 1 1 17 7508 1 1 25 LYS O O 10.335 20.521 11.130 1.00 . A A . 25 LYS O 1 1 17 7509 1 1 26 GLU C C 8.852 18.768 12.675 1.00 . A A . 26 GLU C 1 1 17 7510 1 1 26 GLU CA C 7.837 19.653 11.958 1.00 . A A . 26 GLU CA 1 1 17 7511 1 1 26 GLU CB C 6.455 18.997 11.995 1.00 . A A . 26 GLU CB 1 1 17 7512 1 1 26 GLU CD C 4.077 19.092 11.147 1.00 . A A . 26 GLU CD 1 1 17 7513 1 1 26 GLU CG C 5.522 19.478 10.897 1.00 . A A . 26 GLU CG 1 1 17 7514 1 1 26 GLU H H 7.598 19.754 9.857 1.00 . A A . 26 GLU H 1 1 17 7515 1 1 26 GLU HA H 7.786 20.605 12.463 1.00 . A A . 26 GLU HA 1 1 17 7516 1 1 26 GLU HB2 H 6.574 17.928 11.896 1.00 . A A . 26 GLU HB2 1 1 17 7517 1 1 26 GLU HB3 H 5.994 19.211 12.949 1.00 . A A . 26 GLU HB3 1 1 17 7518 1 1 26 GLU HG2 H 5.585 20.554 10.834 1.00 . A A . 26 GLU HG2 1 1 17 7519 1 1 26 GLU HG3 H 5.838 19.045 9.959 1.00 . A A . 26 GLU HG3 1 1 17 7520 1 1 26 GLU N N 8.243 19.899 10.579 1.00 . A A . 26 GLU N 1 1 17 7521 1 1 26 GLU O O 9.288 19.077 13.784 1.00 . A A . 26 GLU O 1 1 17 7522 1 1 26 GLU OE1 O 3.370 19.854 11.838 1.00 . A A . 26 GLU OE1 1 1 17 7523 1 1 26 GLU OE2 O 3.655 18.026 10.651 1.00 . A A . 26 GLU OE2 1 1 17 7524 1 1 27 CYS C C 11.367 16.521 11.667 1.00 . A A . 27 CYS C 1 1 17 7525 1 1 27 CYS CA C 10.186 16.733 12.609 1.00 . A A . 27 CYS CA 1 1 17 7526 1 1 27 CYS CB C 9.512 15.393 12.911 1.00 . A A . 27 CYS CB 1 1 17 7527 1 1 27 CYS H H 8.840 17.472 11.152 1.00 . A A . 27 CYS H 1 1 17 7528 1 1 27 CYS HA H 10.549 17.159 13.532 1.00 . A A . 27 CYS HA 1 1 17 7529 1 1 27 CYS HB2 H 8.978 15.061 12.032 1.00 . A A . 27 CYS HB2 1 1 17 7530 1 1 27 CYS HB3 H 10.270 14.666 13.160 1.00 . A A . 27 CYS HB3 1 1 17 7531 1 1 27 CYS N N 9.223 17.665 12.034 1.00 . A A . 27 CYS N 1 1 17 7532 1 1 27 CYS O O 12.408 16.000 12.068 1.00 . A A . 27 CYS O 1 1 17 7533 1 1 27 CYS SG S 8.323 15.452 14.290 1.00 . A A . 27 CYS SG 1 1 17 7534 1 1 28 MET C C 12.519 18.110 8.712 1.00 . A A . 28 MET C 1 1 17 7535 1 1 28 MET CA C 12.250 16.783 9.414 1.00 . A A . 28 MET CA 1 1 17 7536 1 1 28 MET CB C 11.864 15.718 8.386 1.00 . A A . 28 MET CB 1 1 17 7537 1 1 28 MET CE C 12.289 13.609 5.579 1.00 . A A . 28 MET CE 1 1 17 7538 1 1 28 MET CG C 13.030 14.848 7.945 1.00 . A A . 28 MET CG 1 1 17 7539 1 1 28 MET H H 10.345 17.335 10.153 1.00 . A A . 28 MET H 1 1 17 7540 1 1 28 MET HA H 13.149 16.470 9.923 1.00 . A A . 28 MET HA 1 1 17 7541 1 1 28 MET HB2 H 11.107 15.078 8.815 1.00 . A A . 28 MET HB2 1 1 17 7542 1 1 28 MET HB3 H 11.458 16.207 7.513 1.00 . A A . 28 MET HB3 1 1 17 7543 1 1 28 MET HE1 H 12.836 12.887 4.990 1.00 . A A . 28 MET HE1 1 1 17 7544 1 1 28 MET HE2 H 11.240 13.560 5.326 1.00 . A A . 28 MET HE2 1 1 17 7545 1 1 28 MET HE3 H 12.664 14.601 5.373 1.00 . A A . 28 MET HE3 1 1 17 7546 1 1 28 MET HG2 H 13.570 15.362 7.164 1.00 . A A . 28 MET HG2 1 1 17 7547 1 1 28 MET HG3 H 13.685 14.693 8.790 1.00 . A A . 28 MET HG3 1 1 17 7548 1 1 28 MET N N 11.197 16.927 10.413 1.00 . A A . 28 MET N 1 1 17 7549 1 1 28 MET O O 11.679 18.634 7.981 1.00 . A A . 28 MET O 1 1 17 7550 1 1 28 MET SD S 12.501 13.242 7.320 1.00 . A A . 28 MET SD 1 1 17 7551 1 1 29 PRO C C 14.353 19.825 6.834 1.00 . A A . 29 PRO C 1 1 17 7552 1 1 29 PRO CA C 14.124 19.941 8.337 1.00 . A A . 29 PRO CA 1 1 17 7553 1 1 29 PRO CB C 15.436 20.269 9.054 1.00 . A A . 29 PRO CB 1 1 17 7554 1 1 29 PRO CD C 14.768 18.099 9.799 1.00 . A A . 29 PRO CD 1 1 17 7555 1 1 29 PRO CG C 15.969 18.949 9.491 1.00 . A A . 29 PRO CG 1 1 17 7556 1 1 29 PRO HA H 13.402 20.721 8.530 1.00 . A A . 29 PRO HA 1 1 17 7557 1 1 29 PRO HB2 H 16.111 20.761 8.367 1.00 . A A . 29 PRO HB2 1 1 17 7558 1 1 29 PRO HB3 H 15.239 20.914 9.897 1.00 . A A . 29 PRO HB3 1 1 17 7559 1 1 29 PRO HD2 H 14.959 17.067 9.543 1.00 . A A . 29 PRO HD2 1 1 17 7560 1 1 29 PRO HD3 H 14.501 18.187 10.842 1.00 . A A . 29 PRO HD3 1 1 17 7561 1 1 29 PRO HG2 H 16.549 18.505 8.696 1.00 . A A . 29 PRO HG2 1 1 17 7562 1 1 29 PRO HG3 H 16.577 19.073 10.376 1.00 . A A . 29 PRO HG3 1 1 17 7563 1 1 29 PRO N N 13.717 18.668 8.939 1.00 . A A . 29 PRO N 1 1 17 7564 1 1 29 PRO O O 14.445 20.831 6.130 1.00 . A A . 29 PRO O 1 1 17 7565 1 1 30 SER C C 13.371 18.510 4.138 1.00 . A A . 30 SER C 1 1 17 7566 1 1 30 SER CA C 14.666 18.343 4.927 1.00 . A A . 30 SER CA 1 1 17 7567 1 1 30 SER CB C 15.229 16.937 4.715 1.00 . A A . 30 SER CB 1 1 17 7568 1 1 30 SER H H 14.364 17.829 6.959 1.00 . A A . 30 SER H 1 1 17 7569 1 1 30 SER HA H 15.386 19.067 4.573 1.00 . A A . 30 SER HA 1 1 17 7570 1 1 30 SER HB2 H 15.994 16.743 5.451 1.00 . A A . 30 SER HB2 1 1 17 7571 1 1 30 SER HB3 H 14.433 16.214 4.825 1.00 . A A . 30 SER HB3 1 1 17 7572 1 1 30 SER HG H 16.621 16.321 3.482 1.00 . A A . 30 SER HG 1 1 17 7573 1 1 30 SER N N 14.445 18.591 6.347 1.00 . A A . 30 SER N 1 1 17 7574 1 1 30 SER O O 13.191 17.902 3.083 1.00 . A A . 30 SER O 1 1 17 7575 1 1 30 SER OG O 15.793 16.803 3.422 1.00 . A A . 30 SER OG 1 1 17 7576 1 1 31 CYS C C 11.274 20.811 3.096 1.00 . A A . 31 CYS C 1 1 17 7577 1 1 31 CYS CA C 11.192 19.587 4.004 1.00 . A A . 31 CYS CA 1 1 17 7578 1 1 31 CYS CB C 10.093 19.786 5.049 1.00 . A A . 31 CYS CB 1 1 17 7579 1 1 31 CYS H H 12.673 19.795 5.503 1.00 . A A . 31 CYS H 1 1 17 7580 1 1 31 CYS HA H 10.954 18.723 3.403 1.00 . A A . 31 CYS HA 1 1 17 7581 1 1 31 CYS HB2 H 10.530 19.732 6.036 1.00 . A A . 31 CYS HB2 1 1 17 7582 1 1 31 CYS HB3 H 9.648 20.761 4.912 1.00 . A A . 31 CYS HB3 1 1 17 7583 1 1 31 CYS N N 12.472 19.339 4.658 1.00 . A A . 31 CYS N 1 1 17 7584 1 1 31 CYS O O 11.807 21.849 3.483 1.00 . A A . 31 CYS O 1 1 17 7585 1 1 31 CYS SG S 8.757 18.550 4.967 1.00 . A A . 31 CYS SG 1 1 17 7586 1 1 32 ASN C C 9.449 22.561 0.976 1.00 . A A . 32 ASN C 1 1 17 7587 1 1 32 ASN CA C 10.754 21.773 0.921 1.00 . A A . 32 ASN CA 1 1 17 7588 1 1 32 ASN CB C 10.977 21.232 -0.492 1.00 . A A . 32 ASN CB 1 1 17 7589 1 1 32 ASN CG C 10.180 19.970 -0.761 1.00 . A A . 32 ASN CG 1 1 17 7590 1 1 32 ASN H H 10.330 19.825 1.634 1.00 . A A . 32 ASN H 1 1 17 7591 1 1 32 ASN HA H 11.570 22.431 1.178 1.00 . A A . 32 ASN HA 1 1 17 7592 1 1 32 ASN HB2 H 10.678 21.982 -1.210 1.00 . A A . 32 ASN HB2 1 1 17 7593 1 1 32 ASN HB3 H 12.025 21.010 -0.625 1.00 . A A . 32 ASN HB3 1 1 17 7594 1 1 32 ASN HD21 H 9.074 20.926 -2.109 1.00 . A A . 32 ASN HD21 1 1 17 7595 1 1 32 ASN HD22 H 8.685 19.260 -1.862 1.00 . A A . 32 ASN HD22 1 1 17 7596 1 1 32 ASN N N 10.741 20.678 1.886 1.00 . A A . 32 ASN N 1 1 17 7597 1 1 32 ASN ND2 N 9.216 20.061 -1.669 1.00 . A A . 32 ASN ND2 1 1 17 7598 1 1 32 ASN O O 9.145 23.208 1.978 1.00 . A A . 32 ASN O 1 1 17 7599 1 1 32 ASN OD1 O 10.430 18.925 -0.159 1.00 . A A . 32 ASN OD1 1 1 18 7600 1 1 1 2KT C1 C 1.024 5.705 16.795 1.00 . A A . 1 2KT C1 1 1 18 7601 1 1 1 2KT C2 C 0.377 4.760 16.099 1.00 . A A . 1 2KT C2 1 1 18 7602 1 1 1 2KT C3 C -0.878 4.611 16.244 1.00 . A A . 1 2KT C3 1 1 18 7603 1 1 1 2KT C4 C -1.578 5.626 15.866 1.00 . A A . 1 2KT C4 1 1 18 7604 1 1 1 2KT H31 H -1.270 4.536 17.160 1.00 . A A . 1 2KT H31 1 1 18 7605 1 1 1 2KT H32 H -1.336 3.815 15.846 1.00 . A A . 1 2KT H32 1 1 18 7606 1 1 1 2KT H41 H -1.253 6.208 15.122 1.00 . A A . 1 2KT H41 1 1 18 7607 1 1 1 2KT H42 H -2.508 5.492 15.524 1.00 . A A . 1 2KT H42 1 1 18 7608 1 1 1 2KT H43 H -1.787 6.357 16.515 1.00 . A A . 1 2KT H43 1 1 18 7609 1 1 1 2KT O1 O 0.360 6.432 17.534 1.00 . A A . 1 2KT O1 1 1 18 7610 1 1 1 2KT O3 O 1.025 4.049 15.327 1.00 . A A . 1 2KT O3 1 1 18 7611 1 1 2 ILE C C 2.543 8.225 17.130 1.00 . A A . 2 ILE C 1 1 18 7612 1 1 2 ILE CA C 3.099 6.828 17.387 1.00 . A A . 2 ILE CA 1 1 18 7613 1 1 2 ILE CB C 4.589 6.802 16.998 1.00 . A A . 2 ILE CB 1 1 18 7614 1 1 2 ILE CD1 C 4.159 6.636 14.495 1.00 . A A . 2 ILE CD1 1 1 18 7615 1 1 2 ILE CG1 C 4.789 7.431 15.617 1.00 . A A . 2 ILE CG1 1 1 18 7616 1 1 2 ILE CG2 C 5.117 5.376 17.018 1.00 . A A . 2 ILE CG2 1 1 18 7617 1 1 2 ILE H H 2.813 5.210 16.054 1.00 . A A . 2 ILE H 1 1 18 7618 1 1 2 ILE HA H 3.019 6.609 18.442 1.00 . A A . 2 ILE HA 1 1 18 7619 1 1 2 ILE HB H 5.139 7.375 17.729 1.00 . A A . 2 ILE HB 1 1 18 7620 1 1 2 ILE HD11 H 3.139 6.965 14.350 1.00 . A A . 2 ILE HD11 1 1 18 7621 1 1 2 ILE HD12 H 4.718 6.792 13.584 1.00 . A A . 2 ILE HD12 1 1 18 7622 1 1 2 ILE HD13 H 4.165 5.587 14.748 1.00 . A A . 2 ILE HD13 1 1 18 7623 1 1 2 ILE HG12 H 4.353 8.417 15.611 1.00 . A A . 2 ILE HG12 1 1 18 7624 1 1 2 ILE HG13 H 5.848 7.509 15.416 1.00 . A A . 2 ILE HG13 1 1 18 7625 1 1 2 ILE HG21 H 5.803 5.258 17.844 1.00 . A A . 2 ILE HG21 1 1 18 7626 1 1 2 ILE HG22 H 4.292 4.689 17.136 1.00 . A A . 2 ILE HG22 1 1 18 7627 1 1 2 ILE HG23 H 5.630 5.168 16.091 1.00 . A A . 2 ILE HG23 1 1 18 7628 1 1 2 ILE N N 2.341 5.819 16.659 1.00 . A A . 2 ILE N 1 1 18 7629 1 1 2 ILE O O 1.702 8.415 16.250 1.00 . A A . 2 ILE O 1 1 18 7630 1 1 3 . C C 1.635 10.943 18.904 1.00 . A A . 3 DBB C 1 1 18 7631 1 1 3 . CA C 2.566 10.567 17.767 1.00 . A A . 3 DBB CA 1 1 18 7632 1 1 3 . CB C 3.766 11.537 17.739 1.00 . A A . 3 DBB CB 1 1 18 7633 1 1 3 . CG C 4.767 11.049 16.693 1.00 . A A . 3 DBB CG 1 1 18 7634 1 1 3 . H H 3.688 8.971 18.588 1.00 . A A . 3 DBB H 1 1 18 7635 1 1 3 . HA H 2.033 10.659 16.833 1.00 . A A . 3 DBB HA 1 1 18 7636 1 1 3 . HB3 H 4.242 11.479 18.711 1.00 . A A . 3 DBB HB3 1 1 18 7637 1 1 3 . HG1 H 5.528 11.799 16.548 1.00 . A A . 3 DBB HG1 1 1 18 7638 1 1 3 . HG2 H 4.255 10.866 15.761 1.00 . A A . 3 DBB HG2 1 1 18 7639 1 1 3 . HG3 H 5.226 10.135 17.042 1.00 . A A . 3 DBB HG3 1 1 18 7640 1 1 3 . N N 3.015 9.191 17.900 1.00 . A A . 3 DBB N 1 1 18 7641 1 1 3 . O O 1.442 12.124 19.195 1.00 . A A . 3 DBB O 1 1 18 7642 1 1 4 LEU C C 0.471 11.436 21.400 1.00 . A A . 4 LEU C 1 1 18 7643 1 1 4 LEU CA C 0.110 10.166 20.635 1.00 . A A . 4 LEU CA 1 1 18 7644 1 1 4 LEU CB C 0.106 8.968 21.586 1.00 . A A . 4 LEU CB 1 1 18 7645 1 1 4 LEU CD1 C -0.323 7.110 19.959 1.00 . A A . 4 LEU CD1 1 1 18 7646 1 1 4 LEU CD2 C -0.950 6.832 22.364 1.00 . A A . 4 LEU CD2 1 1 18 7647 1 1 4 LEU CG C -0.825 7.815 21.210 1.00 . A A . 4 LEU CG 1 1 18 7648 1 1 4 LEU H H 1.237 9.017 19.261 1.00 . A A . 4 LEU H 1 1 18 7649 1 1 4 LEU HA H -0.877 10.283 20.212 1.00 . A A . 4 LEU HA 1 1 18 7650 1 1 4 LEU HB2 H 1.112 8.579 21.632 1.00 . A A . 4 LEU HB2 1 1 18 7651 1 1 4 LEU HB3 H -0.186 9.324 22.564 1.00 . A A . 4 LEU HB3 1 1 18 7652 1 1 4 LEU HD11 H -0.882 6.199 19.811 1.00 . A A . 4 LEU HD11 1 1 18 7653 1 1 4 LEU HD12 H 0.725 6.875 20.075 1.00 . A A . 4 LEU HD12 1 1 18 7654 1 1 4 LEU HD13 H -0.454 7.757 19.104 1.00 . A A . 4 LEU HD13 1 1 18 7655 1 1 4 LEU HD21 H -1.490 5.957 22.035 1.00 . A A . 4 LEU HD21 1 1 18 7656 1 1 4 LEU HD22 H -1.484 7.300 23.178 1.00 . A A . 4 LEU HD22 1 1 18 7657 1 1 4 LEU HD23 H 0.035 6.543 22.700 1.00 . A A . 4 LEU HD23 1 1 18 7658 1 1 4 LEU HG H -1.809 8.210 20.997 1.00 . A A . 4 LEU HG 1 1 18 7659 1 1 4 LEU N N 1.043 9.936 19.537 1.00 . A A . 4 LEU N 1 1 18 7660 1 1 4 LEU O O 1.627 11.610 21.796 1.00 . A A . 4 LEU O 1 1 18 7661 1 1 5 DHA C C -0.541 14.713 21.636 1.00 . A A . 5 DHA C 1 1 18 7662 1 1 5 DHA CA C -0.311 13.475 22.277 1.00 . A A . 5 DHA CA 1 1 18 7663 1 1 5 DHA CB C 0.079 13.448 23.557 1.00 . A A . 5 DHA CB 1 1 18 7664 1 1 5 DHA H H -1.390 12.050 21.236 1.00 . A A . 5 DHA H 1 1 18 7665 1 1 5 DHA HB1 H 0.246 12.503 24.053 1.00 . A A . 5 DHA HB1 1 1 18 7666 1 1 5 DHA HB2 H 0.195 14.366 24.104 1.00 . A A . 5 DHA HB2 1 1 18 7667 1 1 5 DHA N N -0.520 12.303 21.599 1.00 . A A . 5 DHA N 1 1 18 7668 1 1 5 DHA O O -1.684 15.165 21.511 1.00 . A A . 5 DHA O 1 1 18 7669 1 1 6 DBU C C 0.706 16.488 18.935 1.00 . A A . 6 DBU C 1 1 18 7670 1 1 6 DBU CA C 0.396 16.460 20.421 1.00 . A A . 6 DBU CA 1 1 18 7671 1 1 6 DBU CB C -0.012 17.576 21.045 1.00 . A A . 6 DBU CB 1 1 18 7672 1 1 6 DBU CG C -0.316 17.520 22.514 1.00 . A A . 6 DBU CG 1 1 18 7673 1 1 6 DBU H1 H 1.395 14.850 21.270 1.00 . A A . 6 DBU H1 1 1 18 7674 1 1 6 DBU HB1 H -0.113 18.500 20.493 1.00 . A A . 6 DBU HB1 1 1 18 7675 1 1 6 DBU HG1 H -0.370 18.522 22.909 1.00 . A A . 6 DBU HG1 1 1 18 7676 1 1 6 DBU HG2 H 0.466 16.982 23.024 1.00 . A A . 6 DBU HG2 1 1 18 7677 1 1 6 DBU HG3 H -1.261 17.017 22.661 1.00 . A A . 6 DBU HG3 1 1 18 7678 1 1 6 DBU N N 0.532 15.292 21.111 1.00 . A A . 6 DBU N 1 1 18 7679 1 1 6 DBU O O 0.750 17.549 18.311 1.00 . A A . 6 DBU O 1 1 18 7680 1 1 7 CYS C C 0.117 15.566 16.079 1.00 . A A . 7 CYS C 1 1 18 7681 1 1 7 CYS CA C 1.303 15.191 16.964 1.00 . A A . 7 CYS CA 1 1 18 7682 1 1 7 CYS CB C 1.758 13.765 16.647 1.00 . A A . 7 CYS CB 1 1 18 7683 1 1 7 CYS H H 0.906 14.498 18.924 1.00 . A A . 7 CYS H 1 1 18 7684 1 1 7 CYS HA H 2.116 15.872 16.763 1.00 . A A . 7 CYS HA 1 1 18 7685 1 1 7 CYS HB2 H 0.992 13.072 16.963 1.00 . A A . 7 CYS HB2 1 1 18 7686 1 1 7 CYS HB3 H 1.904 13.670 15.581 1.00 . A A . 7 CYS HB3 1 1 18 7687 1 1 7 CYS N N 0.956 15.309 18.375 1.00 . A A . 7 CYS N 1 1 18 7688 1 1 7 CYS O O 0.184 16.522 15.307 1.00 . A A . 7 CYS O 1 1 18 7689 1 1 7 CYS SG S 3.311 13.281 17.467 1.00 . A A . 7 CYS SG 1 1 18 7690 1 1 8 ALA C C -2.864 16.337 15.869 1.00 . A A . 8 ALA C 1 1 18 7691 1 1 8 ALA CA C -2.167 15.060 15.411 1.00 . A A . 8 ALA CA 1 1 18 7692 1 1 8 ALA CB C -3.118 13.876 15.502 1.00 . A A . 8 ALA CB 1 1 18 7693 1 1 8 ALA H H -0.959 14.058 16.830 1.00 . A A . 8 ALA H 1 1 18 7694 1 1 8 ALA HA H -1.871 15.174 14.378 1.00 . A A . 8 ALA HA 1 1 18 7695 1 1 8 ALA HB1 H -3.519 13.814 16.504 1.00 . A A . 8 ALA HB1 1 1 18 7696 1 1 8 ALA HB2 H -3.926 14.008 14.798 1.00 . A A . 8 ALA HB2 1 1 18 7697 1 1 8 ALA HB3 H -2.584 12.967 15.272 1.00 . A A . 8 ALA HB3 1 1 18 7698 1 1 8 ALA N N -0.967 14.806 16.197 1.00 . A A . 8 ALA N 1 1 18 7699 1 1 8 ALA O O -3.911 16.708 15.338 1.00 . A A . 8 ALA O 1 1 18 7700 1 1 9 ILE C C -2.198 19.461 16.733 1.00 . A A . 9 ILE C 1 1 18 7701 1 1 9 ILE CA C -2.841 18.240 17.384 1.00 . A A . 9 ILE CA 1 1 18 7702 1 1 9 ILE CB C -2.663 18.333 18.911 1.00 . A A . 9 ILE CB 1 1 18 7703 1 1 9 ILE CD1 C -3.608 17.347 21.058 1.00 . A A . 9 ILE CD1 1 1 18 7704 1 1 9 ILE CG1 C -3.300 17.122 19.595 1.00 . A A . 9 ILE CG1 1 1 18 7705 1 1 9 ILE CG2 C -3.270 19.625 19.437 1.00 . A A . 9 ILE CG2 1 1 18 7706 1 1 9 ILE H H -1.443 16.659 17.237 1.00 . A A . 9 ILE H 1 1 18 7707 1 1 9 ILE HA H -3.898 18.244 17.163 1.00 . A A . 9 ILE HA 1 1 18 7708 1 1 9 ILE HB H -1.606 18.346 19.128 1.00 . A A . 9 ILE HB 1 1 18 7709 1 1 9 ILE HD11 H -3.761 16.394 21.544 1.00 . A A . 9 ILE HD11 1 1 18 7710 1 1 9 ILE HD12 H -2.780 17.859 21.526 1.00 . A A . 9 ILE HD12 1 1 18 7711 1 1 9 ILE HD13 H -4.501 17.945 21.151 1.00 . A A . 9 ILE HD13 1 1 18 7712 1 1 9 ILE HG12 H -4.225 16.879 19.095 1.00 . A A . 9 ILE HG12 1 1 18 7713 1 1 9 ILE HG13 H -2.625 16.281 19.522 1.00 . A A . 9 ILE HG13 1 1 18 7714 1 1 9 ILE HG21 H -4.297 19.451 19.721 1.00 . A A . 9 ILE HG21 1 1 18 7715 1 1 9 ILE HG22 H -2.711 19.960 20.298 1.00 . A A . 9 ILE HG22 1 1 18 7716 1 1 9 ILE HG23 H -3.232 20.381 18.667 1.00 . A A . 9 ILE HG23 1 1 18 7717 1 1 9 ILE N N -2.276 17.005 16.856 1.00 . A A . 9 ILE N 1 1 18 7718 1 1 9 ILE O O -2.888 20.388 16.309 1.00 . A A . 9 ILE O 1 1 18 7719 1 1 10 LEU C C 0.199 20.263 14.597 1.00 . A A . 10 LEU C 1 1 18 7720 1 1 10 LEU CA C -0.134 20.559 16.056 1.00 . A A . 10 LEU CA 1 1 18 7721 1 1 10 LEU CB C 1.153 20.826 16.840 1.00 . A A . 10 LEU CB 1 1 18 7722 1 1 10 LEU CD1 C 0.483 22.865 18.134 1.00 . A A . 10 LEU CD1 1 1 18 7723 1 1 10 LEU CD2 C 2.897 22.440 17.638 1.00 . A A . 10 LEU CD2 1 1 18 7724 1 1 10 LEU CG C 1.470 22.293 17.129 1.00 . A A . 10 LEU CG 1 1 18 7725 1 1 10 LEU H H -0.376 18.687 17.012 1.00 . A A . 10 LEU H 1 1 18 7726 1 1 10 LEU HA H -0.760 21.437 16.098 1.00 . A A . 10 LEU HA 1 1 18 7727 1 1 10 LEU HB2 H 1.076 20.311 17.785 1.00 . A A . 10 LEU HB2 1 1 18 7728 1 1 10 LEU HB3 H 1.976 20.413 16.273 1.00 . A A . 10 LEU HB3 1 1 18 7729 1 1 10 LEU HD11 H 0.702 22.473 19.116 1.00 . A A . 10 LEU HD11 1 1 18 7730 1 1 10 LEU HD12 H -0.521 22.586 17.851 1.00 . A A . 10 LEU HD12 1 1 18 7731 1 1 10 LEU HD13 H 0.566 23.942 18.148 1.00 . A A . 10 LEU HD13 1 1 18 7732 1 1 10 LEU HD21 H 3.579 21.995 16.929 1.00 . A A . 10 LEU HD21 1 1 18 7733 1 1 10 LEU HD22 H 2.992 21.941 18.591 1.00 . A A . 10 LEU HD22 1 1 18 7734 1 1 10 LEU HD23 H 3.131 23.488 17.755 1.00 . A A . 10 LEU HD23 1 1 18 7735 1 1 10 LEU HG H 1.381 22.862 16.214 1.00 . A A . 10 LEU HG 1 1 18 7736 1 1 10 LEU N N -0.871 19.453 16.657 1.00 . A A . 10 LEU N 1 1 18 7737 1 1 10 LEU O O 1.146 20.817 14.036 1.00 . A A . 10 LEU O 1 1 18 7738 1 1 11 DAL C C -0.608 20.205 11.664 1.00 . A A . 11 DAL C 1 1 18 7739 1 1 11 DAL CA C -0.371 19.018 12.596 1.00 . A A . 11 DAL CA 1 1 18 7740 1 1 11 DAL CB C 1.049 18.491 12.409 1.00 . A A . 11 DAL CB 1 1 18 7741 1 1 11 DAL H H -1.326 18.976 14.480 1.00 . A A . 11 DAL H 1 1 18 7742 1 1 11 DAL HA H -1.070 18.233 12.352 1.00 . A A . 11 DAL HA 1 1 18 7743 1 1 11 DAL HB2 H 1.586 18.600 13.338 1.00 . A A . 11 DAL HB2 1 1 18 7744 1 1 11 DAL HB3 H 1.544 19.079 11.642 1.00 . A A . 11 DAL HB3 1 1 18 7745 1 1 11 DAL N N -0.584 19.389 13.986 1.00 . A A . 11 DAL N 1 1 18 7746 1 1 11 DAL O O 0.331 20.882 11.245 1.00 . A A . 11 DAL O 1 1 18 7747 1 1 12 LYS C C -3.754 21.620 10.279 1.00 . A A . 12 LYS C 1 1 18 7748 1 1 12 LYS CA C -2.241 21.548 10.458 1.00 . A A . 12 LYS CA 1 1 18 7749 1 1 12 LYS CB C -1.563 21.384 9.096 1.00 . A A . 12 LYS CB 1 1 18 7750 1 1 12 LYS CD C -1.198 19.910 7.095 1.00 . A A . 12 LYS CD 1 1 18 7751 1 1 12 LYS CE C 0.091 20.682 6.863 1.00 . A A . 12 LYS CE 1 1 18 7752 1 1 12 LYS CG C -1.628 19.967 8.551 1.00 . A A . 12 LYS CG 1 1 18 7753 1 1 12 LYS H H -2.579 19.873 11.707 1.00 . A A . 12 LYS H 1 1 18 7754 1 1 12 LYS HA H -1.900 22.466 10.912 1.00 . A A . 12 LYS HA 1 1 18 7755 1 1 12 LYS HB2 H -2.043 22.042 8.386 1.00 . A A . 12 LYS HB2 1 1 18 7756 1 1 12 LYS HB3 H -0.524 21.664 9.188 1.00 . A A . 12 LYS HB3 1 1 18 7757 1 1 12 LYS HD2 H -1.042 18.879 6.815 1.00 . A A . 12 LYS HD2 1 1 18 7758 1 1 12 LYS HD3 H -1.979 20.337 6.481 1.00 . A A . 12 LYS HD3 1 1 18 7759 1 1 12 LYS HE2 H 0.722 20.572 7.731 1.00 . A A . 12 LYS HE2 1 1 18 7760 1 1 12 LYS HE3 H 0.592 20.270 5.999 1.00 . A A . 12 LYS HE3 1 1 18 7761 1 1 12 LYS HG2 H -0.973 19.337 9.133 1.00 . A A . 12 LYS HG2 1 1 18 7762 1 1 12 LYS HG3 H -2.644 19.607 8.632 1.00 . A A . 12 LYS HG3 1 1 18 7763 1 1 12 LYS HZ1 H 0.488 22.497 5.907 1.00 . A A . 12 LYS HZ1 1 1 18 7764 1 1 12 LYS HZ2 H -0.024 22.664 7.511 1.00 . A A . 12 LYS HZ2 1 1 18 7765 1 1 12 LYS HZ3 H -1.141 22.273 6.304 1.00 . A A . 12 LYS HZ3 1 1 18 7766 1 1 12 LYS N N -1.874 20.448 11.341 1.00 . A A . 12 LYS N 1 1 18 7767 1 1 12 LYS NZ N -0.164 22.131 6.630 1.00 . A A . 12 LYS NZ 1 1 18 7768 1 1 12 LYS O O -4.446 20.603 10.224 1.00 . A A . 12 LYS O 1 1 18 7769 1 1 13 PRO C C -6.209 22.660 8.628 1.00 . A A . 13 PRO C 1 1 18 7770 1 1 13 PRO CA C -5.718 23.083 10.008 1.00 . A A . 13 PRO CA 1 1 18 7771 1 1 13 PRO CB C -5.855 24.598 10.183 1.00 . A A . 13 PRO CB 1 1 18 7772 1 1 13 PRO CD C -3.517 24.107 10.242 1.00 . A A . 13 PRO CD 1 1 18 7773 1 1 13 PRO CG C -4.519 25.144 9.817 1.00 . A A . 13 PRO CG 1 1 18 7774 1 1 13 PRO HA H -6.298 22.578 10.766 1.00 . A A . 13 PRO HA 1 1 18 7775 1 1 13 PRO HB2 H -6.629 24.970 9.526 1.00 . A A . 13 PRO HB2 1 1 18 7776 1 1 13 PRO HB3 H -6.107 24.824 11.208 1.00 . A A . 13 PRO HB3 1 1 18 7777 1 1 13 PRO HD2 H -2.684 24.083 9.555 1.00 . A A . 13 PRO HD2 1 1 18 7778 1 1 13 PRO HD3 H -3.174 24.303 11.247 1.00 . A A . 13 PRO HD3 1 1 18 7779 1 1 13 PRO HG2 H -4.466 25.302 8.750 1.00 . A A . 13 PRO HG2 1 1 18 7780 1 1 13 PRO HG3 H -4.344 26.071 10.343 1.00 . A A . 13 PRO HG3 1 1 18 7781 1 1 13 PRO N N -4.282 22.850 10.184 1.00 . A A . 13 PRO N 1 1 18 7782 1 1 13 PRO O O -5.412 22.438 7.715 1.00 . A A . 13 PRO O 1 1 18 7783 1 1 14 LEU C C -7.337 21.014 6.571 1.00 . A A . 14 LEU C 1 1 18 7784 1 1 14 LEU CA C -8.123 22.154 7.211 1.00 . A A . 14 LEU CA 1 1 18 7785 1 1 14 LEU CB C -8.180 23.348 6.257 1.00 . A A . 14 LEU CB 1 1 18 7786 1 1 14 LEU CD1 C -6.069 22.981 4.955 1.00 . A A . 14 LEU CD1 1 1 18 7787 1 1 14 LEU CD2 C -7.032 25.281 5.146 1.00 . A A . 14 LEU CD2 1 1 18 7788 1 1 14 LEU CG C -6.832 23.946 5.849 1.00 . A A . 14 LEU CG 1 1 18 7789 1 1 14 LEU H H -8.109 22.740 9.244 1.00 . A A . 14 LEU H 1 1 18 7790 1 1 14 LEU HA H -9.128 21.814 7.410 1.00 . A A . 14 LEU HA 1 1 18 7791 1 1 14 LEU HB2 H -8.685 23.030 5.358 1.00 . A A . 14 LEU HB2 1 1 18 7792 1 1 14 LEU HB3 H -8.756 24.126 6.736 1.00 . A A . 14 LEU HB3 1 1 18 7793 1 1 14 LEU HD11 H -6.750 22.523 4.254 1.00 . A A . 14 LEU HD11 1 1 18 7794 1 1 14 LEU HD12 H -5.610 22.215 5.563 1.00 . A A . 14 LEU HD12 1 1 18 7795 1 1 14 LEU HD13 H -5.303 23.519 4.416 1.00 . A A . 14 LEU HD13 1 1 18 7796 1 1 14 LEU HD21 H -7.259 26.042 5.878 1.00 . A A . 14 LEU HD21 1 1 18 7797 1 1 14 LEU HD22 H -7.850 25.200 4.445 1.00 . A A . 14 LEU HD22 1 1 18 7798 1 1 14 LEU HD23 H -6.129 25.547 4.616 1.00 . A A . 14 LEU HD23 1 1 18 7799 1 1 14 LEU HG H -6.239 24.119 6.736 1.00 . A A . 14 LEU HG 1 1 18 7800 1 1 14 LEU N N -7.525 22.550 8.481 1.00 . A A . 14 LEU N 1 1 18 7801 1 1 14 LEU O O -6.490 20.394 7.213 1.00 . A A . 14 LEU O 1 1 18 7802 1 1 15 GLY C C -7.770 18.425 4.474 1.00 . A A . 15 GLY C 1 1 18 7803 1 1 15 GLY CA C -6.931 19.682 4.594 1.00 . A A . 15 GLY CA 1 1 18 7804 1 1 15 GLY H H -8.307 21.273 4.839 1.00 . A A . 15 GLY H 1 1 18 7805 1 1 15 GLY HA2 H -6.677 20.028 3.604 1.00 . A A . 15 GLY HA2 1 1 18 7806 1 1 15 GLY HA3 H -6.022 19.444 5.126 1.00 . A A . 15 GLY HA3 1 1 18 7807 1 1 15 GLY N N -7.622 20.745 5.301 1.00 . A A . 15 GLY N 1 1 18 7808 1 1 15 GLY O O -8.986 18.463 4.657 1.00 . A A . 15 GLY O 1 1 18 7809 1 1 16 ASN C C -7.746 15.226 5.309 1.00 . A A . 16 ASN C 1 1 18 7810 1 1 16 ASN CA C -7.815 16.035 4.017 1.00 . A A . 16 ASN CA 1 1 18 7811 1 1 16 ASN CB C -7.210 15.230 2.865 1.00 . A A . 16 ASN CB 1 1 18 7812 1 1 16 ASN CG C -7.976 13.950 2.590 1.00 . A A . 16 ASN CG 1 1 18 7813 1 1 16 ASN H H -6.150 17.341 4.031 1.00 . A A . 16 ASN H 1 1 18 7814 1 1 16 ASN HA H -8.850 16.246 3.793 1.00 . A A . 16 ASN HA 1 1 18 7815 1 1 16 ASN HB2 H -7.222 15.833 1.969 1.00 . A A . 16 ASN HB2 1 1 18 7816 1 1 16 ASN HB3 H -6.191 14.973 3.109 1.00 . A A . 16 ASN HB3 1 1 18 7817 1 1 16 ASN HD21 H -7.993 14.350 0.642 1.00 . A A . 16 ASN HD21 1 1 18 7818 1 1 16 ASN HD22 H -8.772 12.882 1.115 1.00 . A A . 16 ASN HD22 1 1 18 7819 1 1 16 ASN N N -7.120 17.309 4.164 1.00 . A A . 16 ASN N 1 1 18 7820 1 1 16 ASN ND2 N -8.277 13.702 1.321 1.00 . A A . 16 ASN ND2 1 1 18 7821 1 1 16 ASN O O -6.687 14.726 5.684 1.00 . A A . 16 ASN O 1 1 18 7822 1 1 16 ASN OD1 O -8.291 13.193 3.508 1.00 . A A . 16 ASN OD1 1 1 18 7823 1 1 17 ASN C C -7.849 14.788 8.191 1.00 . A A . 17 ASN C 1 1 18 7824 1 1 17 ASN CA C -8.954 14.352 7.234 1.00 . A A . 17 ASN CA 1 1 18 7825 1 1 17 ASN CB C -8.843 12.851 6.960 1.00 . A A . 17 ASN CB 1 1 18 7826 1 1 17 ASN CG C -8.212 12.097 8.115 1.00 . A A . 17 ASN CG 1 1 18 7827 1 1 17 ASN H H -9.697 15.522 5.634 1.00 . A A . 17 ASN H 1 1 18 7828 1 1 17 ASN HA H -9.911 14.556 7.689 1.00 . A A . 17 ASN HA 1 1 18 7829 1 1 17 ASN HB2 H -9.831 12.448 6.790 1.00 . A A . 17 ASN HB2 1 1 18 7830 1 1 17 ASN HB3 H -8.239 12.695 6.079 1.00 . A A . 17 ASN HB3 1 1 18 7831 1 1 17 ASN HD21 H -9.050 13.344 9.418 1.00 . A A . 17 ASN HD21 1 1 18 7832 1 1 17 ASN HD22 H -8.077 12.088 10.098 1.00 . A A . 17 ASN HD22 1 1 18 7833 1 1 17 ASN N N -8.884 15.101 5.984 1.00 . A A . 17 ASN N 1 1 18 7834 1 1 17 ASN ND2 N -8.473 12.556 9.333 1.00 . A A . 17 ASN ND2 1 1 18 7835 1 1 17 ASN O O -8.057 15.649 9.045 1.00 . A A . 17 ASN O 1 1 18 7836 1 1 17 ASN OD1 O -7.498 11.115 7.913 1.00 . A A . 17 ASN OD1 1 1 18 7837 1 1 18 GLY C C -4.922 13.308 9.541 1.00 . A A . 18 GLY C 1 1 18 7838 1 1 18 GLY CA C -5.552 14.528 8.899 1.00 . A A . 18 GLY CA 1 1 18 7839 1 1 18 GLY H H -6.564 13.509 7.343 1.00 . A A . 18 GLY H 1 1 18 7840 1 1 18 GLY HA2 H -4.804 15.038 8.311 1.00 . A A . 18 GLY HA2 1 1 18 7841 1 1 18 GLY HA3 H -5.898 15.192 9.678 1.00 . A A . 18 GLY HA3 1 1 18 7842 1 1 18 GLY N N -6.672 14.188 8.041 1.00 . A A . 18 GLY N 1 1 18 7843 1 1 18 GLY O O -5.291 12.922 10.651 1.00 . A A . 18 GLY O 1 1 18 7844 1 1 19 TYR C C -2.462 11.845 10.586 1.00 . A A . 19 TYR C 1 1 18 7845 1 1 19 TYR CA C -3.292 11.511 9.350 1.00 . A A . 19 TYR CA 1 1 18 7846 1 1 19 TYR CB C -2.395 10.910 8.267 1.00 . A A . 19 TYR CB 1 1 18 7847 1 1 19 TYR CD1 C -3.324 8.565 8.395 1.00 . A A . 19 TYR CD1 1 1 18 7848 1 1 19 TYR CD2 C -0.959 8.845 8.489 1.00 . A A . 19 TYR CD2 1 1 18 7849 1 1 19 TYR CE1 C -3.171 7.197 8.505 1.00 . A A . 19 TYR CE1 1 1 18 7850 1 1 19 TYR CE2 C -0.797 7.477 8.597 1.00 . A A . 19 TYR CE2 1 1 18 7851 1 1 19 TYR CG C -2.223 9.412 8.386 1.00 . A A . 19 TYR CG 1 1 18 7852 1 1 19 TYR CZ C -1.906 6.657 8.605 1.00 . A A . 19 TYR CZ 1 1 18 7853 1 1 19 TYR H H -3.721 13.053 7.964 1.00 . A A . 19 TYR H 1 1 18 7854 1 1 19 TYR HA H -4.047 10.788 9.621 1.00 . A A . 19 TYR HA 1 1 18 7855 1 1 19 TYR HB2 H -2.822 11.118 7.298 1.00 . A A . 19 TYR HB2 1 1 18 7856 1 1 19 TYR HB3 H -1.416 11.362 8.328 1.00 . A A . 19 TYR HB3 1 1 18 7857 1 1 19 TYR HD1 H -4.314 8.991 8.316 1.00 . A A . 19 TYR HD1 1 1 18 7858 1 1 19 TYR HD2 H -0.092 9.489 8.482 1.00 . A A . 19 TYR HD2 1 1 18 7859 1 1 19 TYR HE1 H -4.040 6.555 8.510 1.00 . A A . 19 TYR HE1 1 1 18 7860 1 1 19 TYR HE2 H 0.194 7.054 8.676 1.00 . A A . 19 TYR HE2 1 1 18 7861 1 1 19 TYR HH H -1.051 5.005 8.121 1.00 . A A . 19 TYR HH 1 1 18 7862 1 1 19 TYR N N -3.971 12.698 8.843 1.00 . A A . 19 TYR N 1 1 18 7863 1 1 19 TYR O O -2.512 12.964 11.098 1.00 . A A . 19 TYR O 1 1 18 7864 1 1 19 TYR OH O -1.750 5.294 8.713 1.00 . A A . 19 TYR OH 1 1 18 7865 1 1 20 LEU C C 0.294 12.009 11.935 1.00 . A A . 20 LEU C 1 1 18 7866 1 1 20 LEU CA C -0.857 11.054 12.236 1.00 . A A . 20 LEU CA 1 1 18 7867 1 1 20 LEU CB C -0.308 9.709 12.714 1.00 . A A . 20 LEU CB 1 1 18 7868 1 1 20 LEU CD1 C 1.863 9.957 13.943 1.00 . A A . 20 LEU CD1 1 1 18 7869 1 1 20 LEU CD2 C -0.263 10.756 14.992 1.00 . A A . 20 LEU CD2 1 1 18 7870 1 1 20 LEU CG C 0.369 9.710 14.085 1.00 . A A . 20 LEU CG 1 1 18 7871 1 1 20 LEU H H -1.702 9.997 10.609 1.00 . A A . 20 LEU H 1 1 18 7872 1 1 20 LEU HA H -1.469 11.482 13.017 1.00 . A A . 20 LEU HA 1 1 18 7873 1 1 20 LEU HB2 H -1.129 9.011 12.752 1.00 . A A . 20 LEU HB2 1 1 18 7874 1 1 20 LEU HB3 H 0.417 9.371 11.987 1.00 . A A . 20 LEU HB3 1 1 18 7875 1 1 20 LEU HD11 H 2.387 9.014 13.962 1.00 . A A . 20 LEU HD11 1 1 18 7876 1 1 20 LEU HD12 H 2.205 10.575 14.760 1.00 . A A . 20 LEU HD12 1 1 18 7877 1 1 20 LEU HD13 H 2.057 10.459 13.007 1.00 . A A . 20 LEU HD13 1 1 18 7878 1 1 20 LEU HD21 H -0.011 10.542 16.019 1.00 . A A . 20 LEU HD21 1 1 18 7879 1 1 20 LEU HD22 H -1.336 10.735 14.872 1.00 . A A . 20 LEU HD22 1 1 18 7880 1 1 20 LEU HD23 H 0.109 11.735 14.725 1.00 . A A . 20 LEU HD23 1 1 18 7881 1 1 20 LEU HG H 0.234 8.741 14.547 1.00 . A A . 20 LEU HG 1 1 18 7882 1 1 20 LEU N N -1.700 10.866 11.060 1.00 . A A . 20 LEU N 1 1 18 7883 1 1 20 LEU O O 1.048 11.807 10.983 1.00 . A A . 20 LEU O 1 1 18 7884 1 1 21 CYS C C 2.768 13.580 13.265 1.00 . A A . 21 CYS C 1 1 18 7885 1 1 21 CYS CA C 1.484 14.033 12.576 1.00 . A A . 21 CYS CA 1 1 18 7886 1 1 21 CYS CB C 1.045 15.389 13.132 1.00 . A A . 21 CYS CB 1 1 18 7887 1 1 21 CYS H H -0.209 13.154 13.495 1.00 . A A . 21 CYS H 1 1 18 7888 1 1 21 CYS HA H 1.673 14.131 11.518 1.00 . A A . 21 CYS HA 1 1 18 7889 1 1 21 CYS HB2 H 0.025 15.315 13.479 1.00 . A A . 21 CYS HB2 1 1 18 7890 1 1 21 CYS HB3 H 1.684 15.654 13.961 1.00 . A A . 21 CYS HB3 1 1 18 7891 1 1 21 CYS N N 0.424 13.047 12.753 1.00 . A A . 21 CYS N 1 1 18 7892 1 1 21 CYS O O 2.900 12.416 13.647 1.00 . A A . 21 CYS O 1 1 18 7893 1 1 21 CYS SG S 1.118 16.748 11.920 1.00 . A A . 21 CYS SG 1 1 18 7894 1 1 22 . C C 5.819 13.300 13.170 1.00 . A A . 22 DBB C 1 1 18 7895 1 1 22 . CA C 4.978 14.205 14.051 1.00 . A A . 22 DBB CA 1 1 18 7896 1 1 22 . CB C 5.758 15.501 14.353 1.00 . A A . 22 DBB CB 1 1 18 7897 1 1 22 . CG C 4.851 16.447 15.139 1.00 . A A . 22 DBB CG 1 1 18 7898 1 1 22 . H H 3.533 15.417 13.089 1.00 . A A . 22 DBB H 1 1 18 7899 1 1 22 . HA H 4.781 13.700 14.985 1.00 . A A . 22 DBB HA 1 1 18 7900 1 1 22 . HB3 H 5.981 15.966 13.400 1.00 . A A . 22 DBB HB3 1 1 18 7901 1 1 22 . HG1 H 5.179 17.463 14.991 1.00 . A A . 22 DBB HG1 1 1 18 7902 1 1 22 . HG2 H 4.895 16.200 16.188 1.00 . A A . 22 DBB HG2 1 1 18 7903 1 1 22 . HG3 H 3.836 16.341 14.783 1.00 . A A . 22 DBB HG3 1 1 18 7904 1 1 22 . N N 3.704 14.502 13.419 1.00 . A A . 22 DBB N 1 1 18 7905 1 1 22 . O O 6.551 12.444 13.665 1.00 . A A . 22 DBB O 1 1 18 7906 1 1 23 VAL C C 7.183 13.526 9.897 1.00 . A A . 23 VAL C 1 1 18 7907 1 1 23 VAL CA C 6.437 12.658 10.904 1.00 . A A . 23 VAL CA 1 1 18 7908 1 1 23 VAL CB C 5.502 11.698 10.145 1.00 . A A . 23 VAL CB 1 1 18 7909 1 1 23 VAL CG1 C 6.305 10.616 9.440 1.00 . A A . 23 VAL CG1 1 1 18 7910 1 1 23 VAL CG2 C 4.483 11.085 11.095 1.00 . A A . 23 VAL CG2 1 1 18 7911 1 1 23 VAL H H 5.098 14.176 11.523 1.00 . A A . 23 VAL H 1 1 18 7912 1 1 23 VAL HA H 7.153 12.067 11.457 1.00 . A A . 23 VAL HA 1 1 18 7913 1 1 23 VAL HB H 4.968 12.265 9.396 1.00 . A A . 23 VAL HB 1 1 18 7914 1 1 23 VAL HG11 H 6.531 10.934 8.433 1.00 . A A . 23 VAL HG11 1 1 18 7915 1 1 23 VAL HG12 H 7.225 10.441 9.979 1.00 . A A . 23 VAL HG12 1 1 18 7916 1 1 23 VAL HG13 H 5.727 9.704 9.408 1.00 . A A . 23 VAL HG13 1 1 18 7917 1 1 23 VAL HG21 H 4.992 10.465 11.817 1.00 . A A . 23 VAL HG21 1 1 18 7918 1 1 23 VAL HG22 H 3.950 11.872 11.607 1.00 . A A . 23 VAL HG22 1 1 18 7919 1 1 23 VAL HG23 H 3.784 10.483 10.533 1.00 . A A . 23 VAL HG23 1 1 18 7920 1 1 23 VAL N N 5.698 13.477 11.858 1.00 . A A . 23 VAL N 1 1 18 7921 1 1 23 VAL O O 6.708 14.596 9.514 1.00 . A A . 23 VAL O 1 1 18 7922 1 1 24 . C C 9.885 14.940 9.198 1.00 . A A . 24 DBB C 1 1 18 7923 1 1 24 . CA C 9.165 13.789 8.521 1.00 . A A . 24 DBB CA 1 1 18 7924 1 1 24 . CB C 10.197 12.856 7.854 1.00 . A A . 24 DBB CB 1 1 18 7925 1 1 24 . CG C 9.638 11.433 7.846 1.00 . A A . 24 DBB CG 1 1 18 7926 1 1 24 . H H 8.671 12.194 9.822 1.00 . A A . 24 DBB H 1 1 18 7927 1 1 24 . HA H 8.517 14.184 7.753 1.00 . A A . 24 DBB HA 1 1 18 7928 1 1 24 . HB3 H 11.082 12.864 8.479 1.00 . A A . 24 DBB HB3 1 1 18 7929 1 1 24 . HG1 H 9.963 10.916 8.734 1.00 . A A . 24 DBB HG1 1 1 18 7930 1 1 24 . HG2 H 9.992 10.911 6.971 1.00 . A A . 24 DBB HG2 1 1 18 7931 1 1 24 . HG3 H 8.558 11.478 7.831 1.00 . A A . 24 DBB HG3 1 1 18 7932 1 1 24 . N N 8.347 13.060 9.475 1.00 . A A . 24 DBB N 1 1 18 7933 1 1 24 . O O 9.715 15.172 10.395 1.00 . A A . 24 DBB O 1 1 18 7934 1 1 25 LYS C C 10.802 17.343 10.215 1.00 . A A . 25 LYS C 1 1 18 7935 1 1 25 LYS CA C 11.472 16.772 8.968 1.00 . A A . 25 LYS CA 1 1 18 7936 1 1 25 LYS CB C 11.620 17.867 7.910 1.00 . A A . 25 LYS CB 1 1 18 7937 1 1 25 LYS CD C 13.110 18.470 5.979 1.00 . A A . 25 LYS CD 1 1 18 7938 1 1 25 LYS CE C 14.201 19.498 5.722 1.00 . A A . 25 LYS CE 1 1 18 7939 1 1 25 LYS CG C 13.051 18.074 7.445 1.00 . A A . 25 LYS CG 1 1 18 7940 1 1 25 LYS H H 10.800 15.419 7.485 1.00 . A A . 25 LYS H 1 1 18 7941 1 1 25 LYS HA H 12.452 16.407 9.236 1.00 . A A . 25 LYS HA 1 1 18 7942 1 1 25 LYS HB2 H 11.019 17.605 7.051 1.00 . A A . 25 LYS HB2 1 1 18 7943 1 1 25 LYS HB3 H 11.259 18.799 8.320 1.00 . A A . 25 LYS HB3 1 1 18 7944 1 1 25 LYS HD2 H 13.313 17.591 5.385 1.00 . A A . 25 LYS HD2 1 1 18 7945 1 1 25 LYS HD3 H 12.156 18.890 5.690 1.00 . A A . 25 LYS HD3 1 1 18 7946 1 1 25 LYS HE2 H 13.990 20.381 6.307 1.00 . A A . 25 LYS HE2 1 1 18 7947 1 1 25 LYS HE3 H 15.149 19.081 6.029 1.00 . A A . 25 LYS HE3 1 1 18 7948 1 1 25 LYS HG2 H 13.503 18.857 8.036 1.00 . A A . 25 LYS HG2 1 1 18 7949 1 1 25 LYS HG3 H 13.601 17.154 7.582 1.00 . A A . 25 LYS HG3 1 1 18 7950 1 1 25 LYS HZ1 H 15.273 19.987 3.998 1.00 . A A . 25 LYS HZ1 1 1 18 7951 1 1 25 LYS HZ2 H 13.781 20.775 4.123 1.00 . A A . 25 LYS HZ2 1 1 18 7952 1 1 25 LYS HZ3 H 13.840 19.139 3.697 1.00 . A A . 25 LYS HZ3 1 1 18 7953 1 1 25 LYS N N 10.706 15.652 8.433 1.00 . A A . 25 LYS N 1 1 18 7954 1 1 25 LYS NZ N 14.280 19.876 4.284 1.00 . A A . 25 LYS NZ 1 1 18 7955 1 1 25 LYS O O 11.476 17.776 11.149 1.00 . A A . 25 LYS O 1 1 18 7956 1 1 26 GLU C C 9.217 17.257 12.665 1.00 . A A . 26 GLU C 1 1 18 7957 1 1 26 GLU CA C 8.714 17.855 11.354 1.00 . A A . 26 GLU CA 1 1 18 7958 1 1 26 GLU CB C 7.225 17.551 11.180 1.00 . A A . 26 GLU CB 1 1 18 7959 1 1 26 GLU CD C 5.246 17.651 9.613 1.00 . A A . 26 GLU CD 1 1 18 7960 1 1 26 GLU CG C 6.757 17.608 9.736 1.00 . A A . 26 GLU CG 1 1 18 7961 1 1 26 GLU H H 8.992 16.980 9.447 1.00 . A A . 26 GLU H 1 1 18 7962 1 1 26 GLU HA H 8.852 18.925 11.385 1.00 . A A . 26 GLU HA 1 1 18 7963 1 1 26 GLU HB2 H 7.024 16.562 11.564 1.00 . A A . 26 GLU HB2 1 1 18 7964 1 1 26 GLU HB3 H 6.654 18.270 11.749 1.00 . A A . 26 GLU HB3 1 1 18 7965 1 1 26 GLU HG2 H 7.165 18.494 9.273 1.00 . A A . 26 GLU HG2 1 1 18 7966 1 1 26 GLU HG3 H 7.120 16.732 9.218 1.00 . A A . 26 GLU HG3 1 1 18 7967 1 1 26 GLU N N 9.473 17.338 10.222 1.00 . A A . 26 GLU N 1 1 18 7968 1 1 26 GLU O O 9.468 17.975 13.633 1.00 . A A . 26 GLU O 1 1 18 7969 1 1 26 GLU OE1 O 4.647 18.668 10.022 1.00 . A A . 26 GLU OE1 1 1 18 7970 1 1 26 GLU OE2 O 4.663 16.669 9.109 1.00 . A A . 26 GLU OE2 1 1 18 7971 1 1 27 CYS C C 11.075 14.410 13.567 1.00 . A A . 27 CYS C 1 1 18 7972 1 1 27 CYS CA C 9.832 15.238 13.879 1.00 . A A . 27 CYS CA 1 1 18 7973 1 1 27 CYS CB C 8.730 14.335 14.436 1.00 . A A . 27 CYS CB 1 1 18 7974 1 1 27 CYS H H 9.144 15.417 11.885 1.00 . A A . 27 CYS H 1 1 18 7975 1 1 27 CYS HA H 10.086 15.981 14.620 1.00 . A A . 27 CYS HA 1 1 18 7976 1 1 27 CYS HB2 H 8.325 13.737 13.633 1.00 . A A . 27 CYS HB2 1 1 18 7977 1 1 27 CYS HB3 H 9.154 13.683 15.185 1.00 . A A . 27 CYS HB3 1 1 18 7978 1 1 27 CYS N N 9.360 15.936 12.688 1.00 . A A . 27 CYS N 1 1 18 7979 1 1 27 CYS O O 11.791 13.982 14.472 1.00 . A A . 27 CYS O 1 1 18 7980 1 1 27 CYS SG S 7.346 15.238 15.204 1.00 . A A . 27 CYS SG 1 1 18 7981 1 1 28 MET C C 13.290 14.176 10.807 1.00 . A A . 28 MET C 1 1 18 7982 1 1 28 MET CA C 12.481 13.412 11.850 1.00 . A A . 28 MET CA 1 1 18 7983 1 1 28 MET CB C 12.035 12.064 11.279 1.00 . A A . 28 MET CB 1 1 18 7984 1 1 28 MET CE C 11.925 9.039 11.567 1.00 . A A . 28 MET CE 1 1 18 7985 1 1 28 MET CG C 10.759 11.530 11.910 1.00 . A A . 28 MET CG 1 1 18 7986 1 1 28 MET H H 10.716 14.555 11.605 1.00 . A A . 28 MET H 1 1 18 7987 1 1 28 MET HA H 13.104 13.238 12.714 1.00 . A A . 28 MET HA 1 1 18 7988 1 1 28 MET HB2 H 11.867 12.174 10.218 1.00 . A A . 28 MET HB2 1 1 18 7989 1 1 28 MET HB3 H 12.820 11.341 11.439 1.00 . A A . 28 MET HB3 1 1 18 7990 1 1 28 MET HE1 H 12.632 9.414 10.840 1.00 . A A . 28 MET HE1 1 1 18 7991 1 1 28 MET HE2 H 12.298 9.231 12.562 1.00 . A A . 28 MET HE2 1 1 18 7992 1 1 28 MET HE3 H 11.796 7.976 11.429 1.00 . A A . 28 MET HE3 1 1 18 7993 1 1 28 MET HG2 H 10.883 11.512 12.982 1.00 . A A . 28 MET HG2 1 1 18 7994 1 1 28 MET HG3 H 9.944 12.191 11.655 1.00 . A A . 28 MET HG3 1 1 18 7995 1 1 28 MET N N 11.324 14.188 12.281 1.00 . A A . 28 MET N 1 1 18 7996 1 1 28 MET O O 12.835 14.419 9.689 1.00 . A A . 28 MET O 1 1 18 7997 1 1 28 MET SD S 10.351 9.865 11.349 1.00 . A A . 28 MET SD 1 1 18 7998 1 1 29 PRO C C 15.930 14.451 9.137 1.00 . A A . 29 PRO C 1 1 18 7999 1 1 29 PRO CA C 15.417 15.308 10.289 1.00 . A A . 29 PRO CA 1 1 18 8000 1 1 29 PRO CB C 16.571 15.714 11.208 1.00 . A A . 29 PRO CB 1 1 18 8001 1 1 29 PRO CD C 15.126 14.310 12.495 1.00 . A A . 29 PRO CD 1 1 18 8002 1 1 29 PRO CG C 16.566 14.696 12.296 1.00 . A A . 29 PRO CG 1 1 18 8003 1 1 29 PRO HA H 14.941 16.193 9.893 1.00 . A A . 29 PRO HA 1 1 18 8004 1 1 29 PRO HB2 H 17.499 15.697 10.654 1.00 . A A . 29 PRO HB2 1 1 18 8005 1 1 29 PRO HB3 H 16.395 16.706 11.596 1.00 . A A . 29 PRO HB3 1 1 18 8006 1 1 29 PRO HD2 H 15.048 13.266 12.760 1.00 . A A . 29 PRO HD2 1 1 18 8007 1 1 29 PRO HD3 H 14.672 14.930 13.255 1.00 . A A . 29 PRO HD3 1 1 18 8008 1 1 29 PRO HG2 H 17.146 13.836 11.996 1.00 . A A . 29 PRO HG2 1 1 18 8009 1 1 29 PRO HG3 H 16.968 15.124 13.202 1.00 . A A . 29 PRO HG3 1 1 18 8010 1 1 29 PRO N N 14.519 14.565 11.178 1.00 . A A . 29 PRO N 1 1 18 8011 1 1 29 PRO O O 16.473 14.967 8.160 1.00 . A A . 29 PRO O 1 1 18 8012 1 1 30 SER C C 15.227 12.184 7.055 1.00 . A A . 30 SER C 1 1 18 8013 1 1 30 SER CA C 16.204 12.209 8.227 1.00 . A A . 30 SER CA 1 1 18 8014 1 1 30 SER CB C 16.356 10.803 8.810 1.00 . A A . 30 SER CB 1 1 18 8015 1 1 30 SER H H 15.316 12.787 10.060 1.00 . A A . 30 SER H 1 1 18 8016 1 1 30 SER HA H 17.166 12.548 7.872 1.00 . A A . 30 SER HA 1 1 18 8017 1 1 30 SER HB2 H 16.755 10.872 9.810 1.00 . A A . 30 SER HB2 1 1 18 8018 1 1 30 SER HB3 H 15.388 10.323 8.840 1.00 . A A . 30 SER HB3 1 1 18 8019 1 1 30 SER HG H 17.769 9.463 8.594 1.00 . A A . 30 SER HG 1 1 18 8020 1 1 30 SER N N 15.755 13.138 9.257 1.00 . A A . 30 SER N 1 1 18 8021 1 1 30 SER O O 15.107 11.180 6.354 1.00 . A A . 30 SER O 1 1 18 8022 1 1 30 SER OG O 17.231 10.016 8.021 1.00 . A A . 30 SER OG 1 1 18 8023 1 1 31 CYS C C 14.213 13.992 4.514 1.00 . A A . 31 CYS C 1 1 18 8024 1 1 31 CYS CA C 13.564 13.405 5.764 1.00 . A A . 31 CYS CA 1 1 18 8025 1 1 31 CYS CB C 12.380 14.274 6.193 1.00 . A A . 31 CYS CB 1 1 18 8026 1 1 31 CYS H H 14.671 14.066 7.443 1.00 . A A . 31 CYS H 1 1 18 8027 1 1 31 CYS HA H 13.208 12.412 5.537 1.00 . A A . 31 CYS HA 1 1 18 8028 1 1 31 CYS HB2 H 12.547 14.625 7.201 1.00 . A A . 31 CYS HB2 1 1 18 8029 1 1 31 CYS HB3 H 12.307 15.123 5.529 1.00 . A A . 31 CYS HB3 1 1 18 8030 1 1 31 CYS N N 14.531 13.297 6.850 1.00 . A A . 31 CYS N 1 1 18 8031 1 1 31 CYS O O 15.126 14.812 4.603 1.00 . A A . 31 CYS O 1 1 18 8032 1 1 31 CYS SG S 10.776 13.409 6.168 1.00 . A A . 31 CYS SG 1 1 18 8033 1 1 32 ASN C C 13.218 13.950 0.977 1.00 . A A . 32 ASN C 1 1 18 8034 1 1 32 ASN CA C 14.267 14.049 2.081 1.00 . A A . 32 ASN CA 1 1 18 8035 1 1 32 ASN CB C 15.512 13.251 1.690 1.00 . A A . 32 ASN CB 1 1 18 8036 1 1 32 ASN CG C 16.360 13.970 0.659 1.00 . A A . 32 ASN CG 1 1 18 8037 1 1 32 ASN H H 13.004 12.912 3.343 1.00 . A A . 32 ASN H 1 1 18 8038 1 1 32 ASN HA H 14.540 15.086 2.210 1.00 . A A . 32 ASN HA 1 1 18 8039 1 1 32 ASN HB2 H 16.116 13.083 2.571 1.00 . A A . 32 ASN HB2 1 1 18 8040 1 1 32 ASN HB3 H 15.209 12.299 1.280 1.00 . A A . 32 ASN HB3 1 1 18 8041 1 1 32 ASN HD21 H 17.840 14.161 1.973 1.00 . A A . 32 ASN HD21 1 1 18 8042 1 1 32 ASN HD22 H 18.136 14.825 0.406 1.00 . A A . 32 ASN HD22 1 1 18 8043 1 1 32 ASN N N 13.734 13.566 3.350 1.00 . A A . 32 ASN N 1 1 18 8044 1 1 32 ASN ND2 N 17.567 14.358 1.053 1.00 . A A . 32 ASN ND2 1 1 18 8045 1 1 32 ASN O O 12.297 14.763 0.908 1.00 . A A . 32 ASN O 1 1 18 8046 1 1 32 ASN OD1 O 15.934 14.174 -0.478 1.00 . A A . 32 ASN OD1 1 1 19 8047 1 1 1 2KT C1 C -7.551 8.383 19.446 1.00 . A A . 1 2KT C1 1 1 19 8048 1 1 1 2KT C2 C -8.354 9.198 20.143 1.00 . A A . 1 2KT C2 1 1 19 8049 1 1 1 2KT C3 C -7.910 9.807 21.167 1.00 . A A . 1 2KT C3 1 1 19 8050 1 1 1 2KT C4 C -8.187 9.230 22.287 1.00 . A A . 1 2KT C4 1 1 19 8051 1 1 1 2KT H31 H -8.271 10.707 21.411 1.00 . A A . 1 2KT H31 1 1 19 8052 1 1 1 2KT H32 H -6.939 10.042 21.228 1.00 . A A . 1 2KT H32 1 1 19 8053 1 1 1 2KT H41 H -8.084 9.730 23.146 1.00 . A A . 1 2KT H41 1 1 19 8054 1 1 1 2KT H42 H -9.109 8.881 22.454 1.00 . A A . 1 2KT H42 1 1 19 8055 1 1 1 2KT H43 H -7.690 8.407 22.562 1.00 . A A . 1 2KT H43 1 1 19 8056 1 1 1 2KT O1 O -6.378 8.281 19.808 1.00 . A A . 1 2KT O1 1 1 19 8057 1 1 1 2KT O3 O -9.521 9.338 19.767 1.00 . A A . 1 2KT O3 1 1 19 8058 1 1 2 ILE C C -6.240 7.607 16.736 1.00 . A A . 2 ILE C 1 1 19 8059 1 1 2 ILE CA C -7.221 6.827 17.606 1.00 . A A . 2 ILE CA 1 1 19 8060 1 1 2 ILE CB C -8.083 5.923 16.704 1.00 . A A . 2 ILE CB 1 1 19 8061 1 1 2 ILE CD1 C -9.225 5.363 18.908 1.00 . A A . 2 ILE CD1 1 1 19 8062 1 1 2 ILE CG1 C -9.384 5.547 17.415 1.00 . A A . 2 ILE CG1 1 1 19 8063 1 1 2 ILE CG2 C -7.308 4.674 16.310 1.00 . A A . 2 ILE CG2 1 1 19 8064 1 1 2 ILE H H -8.988 7.848 18.164 1.00 . A A . 2 ILE H 1 1 19 8065 1 1 2 ILE HA H -6.663 6.197 18.284 1.00 . A A . 2 ILE HA 1 1 19 8066 1 1 2 ILE HB H -8.318 6.470 15.804 1.00 . A A . 2 ILE HB 1 1 19 8067 1 1 2 ILE HD11 H -8.191 5.143 19.135 1.00 . A A . 2 ILE HD11 1 1 19 8068 1 1 2 ILE HD12 H -9.518 6.270 19.417 1.00 . A A . 2 ILE HD12 1 1 19 8069 1 1 2 ILE HD13 H -9.847 4.546 19.239 1.00 . A A . 2 ILE HD13 1 1 19 8070 1 1 2 ILE HG12 H -10.113 6.325 17.254 1.00 . A A . 2 ILE HG12 1 1 19 8071 1 1 2 ILE HG13 H -9.756 4.620 17.004 1.00 . A A . 2 ILE HG13 1 1 19 8072 1 1 2 ILE HG21 H -6.342 4.683 16.794 1.00 . A A . 2 ILE HG21 1 1 19 8073 1 1 2 ILE HG22 H -7.857 3.798 16.620 1.00 . A A . 2 ILE HG22 1 1 19 8074 1 1 2 ILE HG23 H -7.174 4.656 15.239 1.00 . A A . 2 ILE HG23 1 1 19 8075 1 1 2 ILE N N -8.046 7.725 18.403 1.00 . A A . 2 ILE N 1 1 19 8076 1 1 2 ILE O O -6.626 8.548 16.042 1.00 . A A . 2 ILE O 1 1 19 8077 1 1 3 . C C -2.635 7.906 16.778 1.00 . A A . 3 DBB C 1 1 19 8078 1 1 3 . CA C -3.941 7.868 16.005 1.00 . A A . 3 DBB CA 1 1 19 8079 1 1 3 . CB C -3.721 7.152 14.656 1.00 . A A . 3 DBB CB 1 1 19 8080 1 1 3 . CG C -5.074 6.987 13.963 1.00 . A A . 3 DBB CG 1 1 19 8081 1 1 3 . H H -4.737 6.447 17.357 1.00 . A A . 3 DBB H 1 1 19 8082 1 1 3 . HA H -4.259 8.880 15.806 1.00 . A A . 3 DBB HA 1 1 19 8083 1 1 3 . HB3 H -3.338 6.164 14.881 1.00 . A A . 3 DBB HB3 1 1 19 8084 1 1 3 . HG1 H -5.579 7.940 13.934 1.00 . A A . 3 DBB HG1 1 1 19 8085 1 1 3 . HG2 H -5.673 6.275 14.508 1.00 . A A . 3 DBB HG2 1 1 19 8086 1 1 3 . HG3 H -4.913 6.633 12.955 1.00 . A A . 3 DBB HG3 1 1 19 8087 1 1 3 . N N -4.980 7.210 16.779 1.00 . A A . 3 DBB N 1 1 19 8088 1 1 3 . O O -1.568 8.119 16.201 1.00 . A A . 3 DBB O 1 1 19 8089 1 1 4 LEU C C -0.307 7.270 18.193 1.00 . A A . 4 LEU C 1 1 19 8090 1 1 4 LEU CA C -1.542 7.751 18.948 1.00 . A A . 4 LEU CA 1 1 19 8091 1 1 4 LEU CB C -1.765 6.885 20.189 1.00 . A A . 4 LEU CB 1 1 19 8092 1 1 4 LEU CD1 C -3.980 7.538 21.163 1.00 . A A . 4 LEU CD1 1 1 19 8093 1 1 4 LEU CD2 C -2.096 6.891 22.674 1.00 . A A . 4 LEU CD2 1 1 19 8094 1 1 4 LEU CG C -2.473 7.563 21.362 1.00 . A A . 4 LEU CG 1 1 19 8095 1 1 4 LEU H H -3.599 7.552 18.493 1.00 . A A . 4 LEU H 1 1 19 8096 1 1 4 LEU HA H -1.385 8.774 19.256 1.00 . A A . 4 LEU HA 1 1 19 8097 1 1 4 LEU HB2 H -2.356 6.032 19.895 1.00 . A A . 4 LEU HB2 1 1 19 8098 1 1 4 LEU HB3 H -0.798 6.549 20.534 1.00 . A A . 4 LEU HB3 1 1 19 8099 1 1 4 LEU HD11 H -4.305 8.484 20.755 1.00 . A A . 4 LEU HD11 1 1 19 8100 1 1 4 LEU HD12 H -4.466 7.369 22.112 1.00 . A A . 4 LEU HD12 1 1 19 8101 1 1 4 LEU HD13 H -4.240 6.743 20.479 1.00 . A A . 4 LEU HD13 1 1 19 8102 1 1 4 LEU HD21 H -2.403 7.514 23.500 1.00 . A A . 4 LEU HD21 1 1 19 8103 1 1 4 LEU HD22 H -1.026 6.747 22.709 1.00 . A A . 4 LEU HD22 1 1 19 8104 1 1 4 LEU HD23 H -2.590 5.932 22.742 1.00 . A A . 4 LEU HD23 1 1 19 8105 1 1 4 LEU HG H -2.161 8.597 21.414 1.00 . A A . 4 LEU HG 1 1 19 8106 1 1 4 LEU N N -2.722 7.717 18.090 1.00 . A A . 4 LEU N 1 1 19 8107 1 1 4 LEU O O -0.340 6.204 17.570 1.00 . A A . 4 LEU O 1 1 19 8108 1 1 5 DHA C C 2.465 8.574 16.630 1.00 . A A . 5 DHA C 1 1 19 8109 1 1 5 DHA CA C 1.932 7.722 17.622 1.00 . A A . 5 DHA CA 1 1 19 8110 1 1 5 DHA CB C 2.583 6.604 17.963 1.00 . A A . 5 DHA CB 1 1 19 8111 1 1 5 DHA H H 0.666 8.874 18.783 1.00 . A A . 5 DHA H 1 1 19 8112 1 1 5 DHA HB1 H 2.182 5.955 18.729 1.00 . A A . 5 DHA HB1 1 1 19 8113 1 1 5 DHA HB2 H 3.523 6.365 17.499 1.00 . A A . 5 DHA HB2 1 1 19 8114 1 1 5 DHA N N 0.765 8.057 18.258 1.00 . A A . 5 DHA N 1 1 19 8115 1 1 5 DHA O O 3.098 9.591 16.934 1.00 . A A . 5 DHA O 1 1 19 8116 1 1 6 DBU C C 1.556 9.761 13.492 1.00 . A A . 6 DBU C 1 1 19 8117 1 1 6 DBU CA C 2.583 9.054 14.358 1.00 . A A . 6 DBU CA 1 1 19 8118 1 1 6 DBU CB C 3.894 9.221 14.121 1.00 . A A . 6 DBU CB 1 1 19 8119 1 1 6 DBU CG C 4.888 8.513 14.995 1.00 . A A . 6 DBU CG 1 1 19 8120 1 1 6 DBU H1 H 1.655 7.423 15.246 1.00 . A A . 6 DBU H1 1 1 19 8121 1 1 6 DBU HB1 H 4.221 9.853 13.307 1.00 . A A . 6 DBU HB1 1 1 19 8122 1 1 6 DBU HG1 H 5.812 8.382 14.455 1.00 . A A . 6 DBU HG1 1 1 19 8123 1 1 6 DBU HG2 H 4.502 7.546 15.271 1.00 . A A . 6 DBU HG2 1 1 19 8124 1 1 6 DBU HG3 H 5.063 9.105 15.883 1.00 . A A . 6 DBU HG3 1 1 19 8125 1 1 6 DBU N N 2.161 8.254 15.378 1.00 . A A . 6 DBU N 1 1 19 8126 1 1 6 DBU O O 1.896 10.442 12.524 1.00 . A A . 6 DBU O 1 1 19 8127 1 1 7 CYS C C -0.691 11.677 13.031 1.00 . A A . 7 CYS C 1 1 19 8128 1 1 7 CYS CA C -0.808 10.155 13.063 1.00 . A A . 7 CYS CA 1 1 19 8129 1 1 7 CYS CB C -2.155 9.749 13.664 1.00 . A A . 7 CYS CB 1 1 19 8130 1 1 7 CYS H H 0.076 9.013 14.610 1.00 . A A . 7 CYS H 1 1 19 8131 1 1 7 CYS HA H -0.746 9.780 12.053 1.00 . A A . 7 CYS HA 1 1 19 8132 1 1 7 CYS HB2 H -2.176 10.032 14.706 1.00 . A A . 7 CYS HB2 1 1 19 8133 1 1 7 CYS HB3 H -2.945 10.267 13.140 1.00 . A A . 7 CYS HB3 1 1 19 8134 1 1 7 CYS N N 0.285 9.567 13.828 1.00 . A A . 7 CYS N 1 1 19 8135 1 1 7 CYS O O -0.713 12.288 11.963 1.00 . A A . 7 CYS O 1 1 19 8136 1 1 7 CYS SG S -2.503 7.964 13.568 1.00 . A A . 7 CYS SG 1 1 19 8137 1 1 8 ALA C C 0.826 14.224 13.630 1.00 . A A . 8 ALA C 1 1 19 8138 1 1 8 ALA CA C -0.443 13.729 14.315 1.00 . A A . 8 ALA CA 1 1 19 8139 1 1 8 ALA CB C -0.457 14.153 15.776 1.00 . A A . 8 ALA CB 1 1 19 8140 1 1 8 ALA H H -0.554 11.738 15.024 1.00 . A A . 8 ALA H 1 1 19 8141 1 1 8 ALA HA H -1.299 14.173 13.828 1.00 . A A . 8 ALA HA 1 1 19 8142 1 1 8 ALA HB1 H -0.034 13.366 16.382 1.00 . A A . 8 ALA HB1 1 1 19 8143 1 1 8 ALA HB2 H 0.128 15.053 15.894 1.00 . A A . 8 ALA HB2 1 1 19 8144 1 1 8 ALA HB3 H -1.474 14.341 16.086 1.00 . A A . 8 ALA HB3 1 1 19 8145 1 1 8 ALA N N -0.566 12.280 14.208 1.00 . A A . 8 ALA N 1 1 19 8146 1 1 8 ALA O O 1.034 15.429 13.484 1.00 . A A . 8 ALA O 1 1 19 8147 1 1 9 ILE C C 2.778 13.526 11.028 1.00 . A A . 9 ILE C 1 1 19 8148 1 1 9 ILE CA C 2.920 13.630 12.542 1.00 . A A . 9 ILE CA 1 1 19 8149 1 1 9 ILE CB C 4.074 12.719 13.002 1.00 . A A . 9 ILE CB 1 1 19 8150 1 1 9 ILE CD1 C 5.435 12.080 15.055 1.00 . A A . 9 ILE CD1 1 1 19 8151 1 1 9 ILE CG1 C 4.159 12.699 14.529 1.00 . A A . 9 ILE CG1 1 1 19 8152 1 1 9 ILE CG2 C 5.390 13.186 12.398 1.00 . A A . 9 ILE CG2 1 1 19 8153 1 1 9 ILE H H 1.450 12.344 13.357 1.00 . A A . 9 ILE H 1 1 19 8154 1 1 9 ILE HA H 3.168 14.650 12.801 1.00 . A A . 9 ILE HA 1 1 19 8155 1 1 9 ILE HB H 3.877 11.719 12.646 1.00 . A A . 9 ILE HB 1 1 19 8156 1 1 9 ILE HD11 H 5.670 11.195 14.479 1.00 . A A . 9 ILE HD11 1 1 19 8157 1 1 9 ILE HD12 H 6.244 12.790 14.967 1.00 . A A . 9 ILE HD12 1 1 19 8158 1 1 9 ILE HD13 H 5.304 11.809 16.092 1.00 . A A . 9 ILE HD13 1 1 19 8159 1 1 9 ILE HG12 H 4.105 13.710 14.900 1.00 . A A . 9 ILE HG12 1 1 19 8160 1 1 9 ILE HG13 H 3.328 12.131 14.921 1.00 . A A . 9 ILE HG13 1 1 19 8161 1 1 9 ILE HG21 H 5.578 14.208 12.693 1.00 . A A . 9 ILE HG21 1 1 19 8162 1 1 9 ILE HG22 H 6.192 12.556 12.753 1.00 . A A . 9 ILE HG22 1 1 19 8163 1 1 9 ILE HG23 H 5.334 13.126 11.322 1.00 . A A . 9 ILE HG23 1 1 19 8164 1 1 9 ILE N N 1.672 13.288 13.212 1.00 . A A . 9 ILE N 1 1 19 8165 1 1 9 ILE O O 3.164 14.436 10.293 1.00 . A A . 9 ILE O 1 1 19 8166 1 1 10 LEU C C 0.605 12.564 8.718 1.00 . A A . 10 LEU C 1 1 19 8167 1 1 10 LEU CA C 2.023 12.190 9.138 1.00 . A A . 10 LEU CA 1 1 19 8168 1 1 10 LEU CB C 2.301 10.727 8.787 1.00 . A A . 10 LEU CB 1 1 19 8169 1 1 10 LEU CD1 C 3.750 9.225 7.399 1.00 . A A . 10 LEU CD1 1 1 19 8170 1 1 10 LEU CD2 C 1.755 10.331 6.373 1.00 . A A . 10 LEU CD2 1 1 19 8171 1 1 10 LEU CG C 2.875 10.469 7.394 1.00 . A A . 10 LEU CG 1 1 19 8172 1 1 10 LEU H H 1.931 11.724 11.200 1.00 . A A . 10 LEU H 1 1 19 8173 1 1 10 LEU HA H 2.721 12.818 8.606 1.00 . A A . 10 LEU HA 1 1 19 8174 1 1 10 LEU HB2 H 3.003 10.342 9.511 1.00 . A A . 10 LEU HB2 1 1 19 8175 1 1 10 LEU HB3 H 1.369 10.185 8.868 1.00 . A A . 10 LEU HB3 1 1 19 8176 1 1 10 LEU HD11 H 4.279 9.161 8.338 1.00 . A A . 10 LEU HD11 1 1 19 8177 1 1 10 LEU HD12 H 4.462 9.282 6.589 1.00 . A A . 10 LEU HD12 1 1 19 8178 1 1 10 LEU HD13 H 3.131 8.349 7.274 1.00 . A A . 10 LEU HD13 1 1 19 8179 1 1 10 LEU HD21 H 2.040 9.609 5.622 1.00 . A A . 10 LEU HD21 1 1 19 8180 1 1 10 LEU HD22 H 1.576 11.287 5.904 1.00 . A A . 10 LEU HD22 1 1 19 8181 1 1 10 LEU HD23 H 0.855 9.999 6.869 1.00 . A A . 10 LEU HD23 1 1 19 8182 1 1 10 LEU HG H 3.492 11.308 7.104 1.00 . A A . 10 LEU HG 1 1 19 8183 1 1 10 LEU N N 2.219 12.413 10.566 1.00 . A A . 10 LEU N 1 1 19 8184 1 1 10 LEU O O 0.000 11.909 7.868 1.00 . A A . 10 LEU O 1 1 19 8185 1 1 11 DAL C C -1.570 15.406 9.701 1.00 . A A . 11 DAL C 1 1 19 8186 1 1 11 DAL CA C -1.265 14.079 9.006 1.00 . A A . 11 DAL CA 1 1 19 8187 1 1 11 DAL CB C -1.428 14.239 7.498 1.00 . A A . 11 DAL CB 1 1 19 8188 1 1 11 DAL H H 0.605 14.109 9.987 1.00 . A A . 11 DAL H 1 1 19 8189 1 1 11 DAL HA H -1.959 13.331 9.356 1.00 . A A . 11 DAL HA 1 1 19 8190 1 1 11 DAL HB2 H -2.116 15.048 7.305 1.00 . A A . 11 DAL HB2 1 1 19 8191 1 1 11 DAL HB3 H -1.838 13.320 7.089 1.00 . A A . 11 DAL HB3 1 1 19 8192 1 1 11 DAL N N 0.080 13.621 9.315 1.00 . A A . 11 DAL N 1 1 19 8193 1 1 11 DAL O O -1.291 16.481 9.170 1.00 . A A . 11 DAL O 1 1 19 8194 1 1 12 LYS C C -3.147 16.122 12.991 1.00 . A A . 12 LYS C 1 1 19 8195 1 1 12 LYS CA C -2.499 16.505 11.664 1.00 . A A . 12 LYS CA 1 1 19 8196 1 1 12 LYS CB C -3.447 17.400 10.862 1.00 . A A . 12 LYS CB 1 1 19 8197 1 1 12 LYS CD C -5.625 17.575 9.622 1.00 . A A . 12 LYS CD 1 1 19 8198 1 1 12 LYS CE C -6.536 18.087 10.727 1.00 . A A . 12 LYS CE 1 1 19 8199 1 1 12 LYS CG C -4.562 16.636 10.168 1.00 . A A . 12 LYS CG 1 1 19 8200 1 1 12 LYS H H -2.348 14.432 11.264 1.00 . A A . 12 LYS H 1 1 19 8201 1 1 12 LYS HA H -1.589 17.049 11.866 1.00 . A A . 12 LYS HA 1 1 19 8202 1 1 12 LYS HB2 H -3.894 18.121 11.530 1.00 . A A . 12 LYS HB2 1 1 19 8203 1 1 12 LYS HB3 H -2.876 17.925 10.109 1.00 . A A . 12 LYS HB3 1 1 19 8204 1 1 12 LYS HD2 H -5.141 18.418 9.151 1.00 . A A . 12 LYS HD2 1 1 19 8205 1 1 12 LYS HD3 H -6.220 17.045 8.892 1.00 . A A . 12 LYS HD3 1 1 19 8206 1 1 12 LYS HE2 H -7.512 18.282 10.309 1.00 . A A . 12 LYS HE2 1 1 19 8207 1 1 12 LYS HE3 H -6.617 17.327 11.490 1.00 . A A . 12 LYS HE3 1 1 19 8208 1 1 12 LYS HG2 H -4.143 16.070 9.349 1.00 . A A . 12 LYS HG2 1 1 19 8209 1 1 12 LYS HG3 H -5.019 15.962 10.877 1.00 . A A . 12 LYS HG3 1 1 19 8210 1 1 12 LYS HZ1 H -5.072 19.559 10.959 1.00 . A A . 12 LYS HZ1 1 1 19 8211 1 1 12 LYS HZ2 H -5.938 19.225 12.373 1.00 . A A . 12 LYS HZ2 1 1 19 8212 1 1 12 LYS HZ3 H -6.654 20.131 11.138 1.00 . A A . 12 LYS HZ3 1 1 19 8213 1 1 12 LYS N N -2.150 15.318 10.893 1.00 . A A . 12 LYS N 1 1 19 8214 1 1 12 LYS NZ N -6.013 19.338 11.342 1.00 . A A . 12 LYS NZ 1 1 19 8215 1 1 12 LYS O O -4.079 15.320 13.045 1.00 . A A . 12 LYS O 1 1 19 8216 1 1 13 PRO C C -4.554 17.025 15.644 1.00 . A A . 13 PRO C 1 1 19 8217 1 1 13 PRO CA C -3.160 16.444 15.434 1.00 . A A . 13 PRO CA 1 1 19 8218 1 1 13 PRO CB C -2.147 17.143 16.345 1.00 . A A . 13 PRO CB 1 1 19 8219 1 1 13 PRO CD C -1.532 17.674 14.097 1.00 . A A . 13 PRO CD 1 1 19 8220 1 1 13 PRO CG C -1.554 18.216 15.500 1.00 . A A . 13 PRO CG 1 1 19 8221 1 1 13 PRO HA H -3.174 15.387 15.653 1.00 . A A . 13 PRO HA 1 1 19 8222 1 1 13 PRO HB2 H -2.657 17.552 17.206 1.00 . A A . 13 PRO HB2 1 1 19 8223 1 1 13 PRO HB3 H -1.398 16.434 16.666 1.00 . A A . 13 PRO HB3 1 1 19 8224 1 1 13 PRO HD2 H -1.704 18.467 13.384 1.00 . A A . 13 PRO HD2 1 1 19 8225 1 1 13 PRO HD3 H -0.592 17.182 13.897 1.00 . A A . 13 PRO HD3 1 1 19 8226 1 1 13 PRO HG2 H -2.167 19.104 15.549 1.00 . A A . 13 PRO HG2 1 1 19 8227 1 1 13 PRO HG3 H -0.550 18.433 15.833 1.00 . A A . 13 PRO HG3 1 1 19 8228 1 1 13 PRO N N -2.644 16.708 14.087 1.00 . A A . 13 PRO N 1 1 19 8229 1 1 13 PRO O O -5.021 17.848 14.855 1.00 . A A . 13 PRO O 1 1 19 8230 1 1 14 LEU C C -6.501 18.323 17.892 1.00 . A A . 14 LEU C 1 1 19 8231 1 1 14 LEU CA C -6.558 17.068 17.026 1.00 . A A . 14 LEU CA 1 1 19 8232 1 1 14 LEU CB C -7.354 15.976 17.742 1.00 . A A . 14 LEU CB 1 1 19 8233 1 1 14 LEU CD1 C -9.116 14.969 16.272 1.00 . A A . 14 LEU CD1 1 1 19 8234 1 1 14 LEU CD2 C -9.637 15.500 18.660 1.00 . A A . 14 LEU CD2 1 1 19 8235 1 1 14 LEU CG C -8.849 15.920 17.428 1.00 . A A . 14 LEU CG 1 1 19 8236 1 1 14 LEU H H -4.792 15.935 17.303 1.00 . A A . 14 LEU H 1 1 19 8237 1 1 14 LEU HA H -7.050 17.310 16.096 1.00 . A A . 14 LEU HA 1 1 19 8238 1 1 14 LEU HB2 H -6.924 15.024 17.474 1.00 . A A . 14 LEU HB2 1 1 19 8239 1 1 14 LEU HB3 H -7.244 16.132 18.806 1.00 . A A . 14 LEU HB3 1 1 19 8240 1 1 14 LEU HD11 H -10.129 15.103 15.922 1.00 . A A . 14 LEU HD11 1 1 19 8241 1 1 14 LEU HD12 H -8.982 13.951 16.605 1.00 . A A . 14 LEU HD12 1 1 19 8242 1 1 14 LEU HD13 H -8.426 15.178 15.467 1.00 . A A . 14 LEU HD13 1 1 19 8243 1 1 14 LEU HD21 H -9.161 14.646 19.118 1.00 . A A . 14 LEU HD21 1 1 19 8244 1 1 14 LEU HD22 H -10.644 15.238 18.370 1.00 . A A . 14 LEU HD22 1 1 19 8245 1 1 14 LEU HD23 H -9.667 16.318 19.365 1.00 . A A . 14 LEU HD23 1 1 19 8246 1 1 14 LEU HG H -9.186 16.905 17.134 1.00 . A A . 14 LEU HG 1 1 19 8247 1 1 14 LEU N N -5.215 16.591 16.712 1.00 . A A . 14 LEU N 1 1 19 8248 1 1 14 LEU O O -5.461 18.973 17.994 1.00 . A A . 14 LEU O 1 1 19 8249 1 1 15 GLY C C -7.018 21.037 18.735 1.00 . A A . 15 GLY C 1 1 19 8250 1 1 15 GLY CA C -7.682 19.830 19.368 1.00 . A A . 15 GLY CA 1 1 19 8251 1 1 15 GLY H H -8.425 18.100 18.399 1.00 . A A . 15 GLY H 1 1 19 8252 1 1 15 GLY HA2 H -8.716 20.066 19.570 1.00 . A A . 15 GLY HA2 1 1 19 8253 1 1 15 GLY HA3 H -7.185 19.609 20.301 1.00 . A A . 15 GLY HA3 1 1 19 8254 1 1 15 GLY N N -7.626 18.656 18.517 1.00 . A A . 15 GLY N 1 1 19 8255 1 1 15 GLY O O -6.414 21.855 19.427 1.00 . A A . 15 GLY O 1 1 19 8256 1 1 16 ASN C C -5.045 22.382 17.001 1.00 . A A . 16 ASN C 1 1 19 8257 1 1 16 ASN CA C -6.534 22.263 16.689 1.00 . A A . 16 ASN CA 1 1 19 8258 1 1 16 ASN CB C -7.247 23.570 17.043 1.00 . A A . 16 ASN CB 1 1 19 8259 1 1 16 ASN CG C -6.575 24.303 18.188 1.00 . A A . 16 ASN CG 1 1 19 8260 1 1 16 ASN H H -7.625 20.464 16.918 1.00 . A A . 16 ASN H 1 1 19 8261 1 1 16 ASN HA H -6.654 22.073 15.633 1.00 . A A . 16 ASN HA 1 1 19 8262 1 1 16 ASN HB2 H -7.249 24.217 16.179 1.00 . A A . 16 ASN HB2 1 1 19 8263 1 1 16 ASN HB3 H -8.265 23.352 17.328 1.00 . A A . 16 ASN HB3 1 1 19 8264 1 1 16 ASN HD21 H -5.266 25.116 16.931 1.00 . A A . 16 ASN HD21 1 1 19 8265 1 1 16 ASN HD22 H -5.083 25.553 18.592 1.00 . A A . 16 ASN HD22 1 1 19 8266 1 1 16 ASN N N -7.130 21.148 17.415 1.00 . A A . 16 ASN N 1 1 19 8267 1 1 16 ASN ND2 N -5.536 25.068 17.872 1.00 . A A . 16 ASN ND2 1 1 19 8268 1 1 16 ASN O O -4.541 21.740 17.922 1.00 . A A . 16 ASN O 1 1 19 8269 1 1 16 ASN OD1 O -6.984 24.183 19.343 1.00 . A A . 16 ASN OD1 1 1 19 8270 1 1 17 ASN C C -2.364 24.398 15.398 1.00 . A A . 17 ASN C 1 1 19 8271 1 1 17 ASN CA C -2.917 23.412 16.423 1.00 . A A . 17 ASN CA 1 1 19 8272 1 1 17 ASN CB C -2.173 22.080 16.320 1.00 . A A . 17 ASN CB 1 1 19 8273 1 1 17 ASN CG C -0.681 22.265 16.119 1.00 . A A . 17 ASN CG 1 1 19 8274 1 1 17 ASN H H -4.807 23.693 15.511 1.00 . A A . 17 ASN H 1 1 19 8275 1 1 17 ASN HA H -2.772 23.820 17.412 1.00 . A A . 17 ASN HA 1 1 19 8276 1 1 17 ASN HB2 H -2.326 21.517 17.229 1.00 . A A . 17 ASN HB2 1 1 19 8277 1 1 17 ASN HB3 H -2.563 21.519 15.484 1.00 . A A . 17 ASN HB3 1 1 19 8278 1 1 17 ASN HD21 H -0.467 20.326 15.733 1.00 . A A . 17 ASN HD21 1 1 19 8279 1 1 17 ASN HD22 H 0.981 21.267 15.677 1.00 . A A . 17 ASN HD22 1 1 19 8280 1 1 17 ASN N N -4.348 23.209 16.229 1.00 . A A . 17 ASN N 1 1 19 8281 1 1 17 ASN ND2 N 0.014 21.176 15.812 1.00 . A A . 17 ASN ND2 1 1 19 8282 1 1 17 ASN O O -2.115 25.561 15.710 1.00 . A A . 17 ASN O 1 1 19 8283 1 1 17 ASN OD1 O -0.160 23.374 16.238 1.00 . A A . 17 ASN OD1 1 1 19 8284 1 1 18 GLY C C -0.553 24.101 12.319 1.00 . A A . 18 GLY C 1 1 19 8285 1 1 18 GLY CA C -1.652 24.774 13.117 1.00 . A A . 18 GLY CA 1 1 19 8286 1 1 18 GLY H H -2.391 22.986 13.978 1.00 . A A . 18 GLY H 1 1 19 8287 1 1 18 GLY HA2 H -2.459 25.037 12.449 1.00 . A A . 18 GLY HA2 1 1 19 8288 1 1 18 GLY HA3 H -1.258 25.676 13.562 1.00 . A A . 18 GLY HA3 1 1 19 8289 1 1 18 GLY N N -2.174 23.922 14.170 1.00 . A A . 18 GLY N 1 1 19 8290 1 1 18 GLY O O 0.067 24.724 11.457 1.00 . A A . 18 GLY O 1 1 19 8291 1 1 19 TYR C C 0.266 21.678 10.512 1.00 . A A . 19 TYR C 1 1 19 8292 1 1 19 TYR CA C 0.725 22.071 11.913 1.00 . A A . 19 TYR CA 1 1 19 8293 1 1 19 TYR CB C 1.093 20.819 12.711 1.00 . A A . 19 TYR CB 1 1 19 8294 1 1 19 TYR CD1 C 3.579 21.194 12.954 1.00 . A A . 19 TYR CD1 1 1 19 8295 1 1 19 TYR CD2 C 2.841 19.169 11.936 1.00 . A A . 19 TYR CD2 1 1 19 8296 1 1 19 TYR CE1 C 4.894 20.804 12.790 1.00 . A A . 19 TYR CE1 1 1 19 8297 1 1 19 TYR CE2 C 4.153 18.770 11.769 1.00 . A A . 19 TYR CE2 1 1 19 8298 1 1 19 TYR CG C 2.531 20.387 12.530 1.00 . A A . 19 TYR CG 1 1 19 8299 1 1 19 TYR CZ C 5.176 19.590 12.197 1.00 . A A . 19 TYR CZ 1 1 19 8300 1 1 19 TYR H H -0.837 22.386 13.305 1.00 . A A . 19 TYR H 1 1 19 8301 1 1 19 TYR HA H 1.598 22.702 11.830 1.00 . A A . 19 TYR HA 1 1 19 8302 1 1 19 TYR HB2 H 0.935 21.010 13.761 1.00 . A A . 19 TYR HB2 1 1 19 8303 1 1 19 TYR HB3 H 0.459 20.002 12.399 1.00 . A A . 19 TYR HB3 1 1 19 8304 1 1 19 TYR HD1 H 3.354 22.144 13.418 1.00 . A A . 19 TYR HD1 1 1 19 8305 1 1 19 TYR HD2 H 2.038 18.529 11.601 1.00 . A A . 19 TYR HD2 1 1 19 8306 1 1 19 TYR HE1 H 5.694 21.446 13.126 1.00 . A A . 19 TYR HE1 1 1 19 8307 1 1 19 TYR HE2 H 4.375 17.820 11.305 1.00 . A A . 19 TYR HE2 1 1 19 8308 1 1 19 TYR HH H 7.044 19.973 11.955 1.00 . A A . 19 TYR HH 1 1 19 8309 1 1 19 TYR N N -0.310 22.828 12.607 1.00 . A A . 19 TYR N 1 1 19 8310 1 1 19 TYR O O -0.711 22.218 9.992 1.00 . A A . 19 TYR O 1 1 19 8311 1 1 19 TYR OH O 6.484 19.197 12.033 1.00 . A A . 19 TYR OH 1 1 19 8312 1 1 20 LEU C C 1.342 18.945 8.261 1.00 . A A . 20 LEU C 1 1 19 8313 1 1 20 LEU CA C 0.644 20.267 8.566 1.00 . A A . 20 LEU CA 1 1 19 8314 1 1 20 LEU CB C 1.039 21.316 7.525 1.00 . A A . 20 LEU CB 1 1 19 8315 1 1 20 LEU CD1 C -0.732 20.698 5.862 1.00 . A A . 20 LEU CD1 1 1 19 8316 1 1 20 LEU CD2 C 1.237 22.062 5.140 1.00 . A A . 20 LEU CD2 1 1 19 8317 1 1 20 LEU CG C 0.753 20.957 6.067 1.00 . A A . 20 LEU CG 1 1 19 8318 1 1 20 LEU H H 1.745 20.341 10.371 1.00 . A A . 20 LEU H 1 1 19 8319 1 1 20 LEU HA H -0.424 20.114 8.524 1.00 . A A . 20 LEU HA 1 1 19 8320 1 1 20 LEU HB2 H 0.502 22.225 7.753 1.00 . A A . 20 LEU HB2 1 1 19 8321 1 1 20 LEU HB3 H 2.100 21.494 7.622 1.00 . A A . 20 LEU HB3 1 1 19 8322 1 1 20 LEU HD11 H -1.098 20.057 6.649 1.00 . A A . 20 LEU HD11 1 1 19 8323 1 1 20 LEU HD12 H -0.885 20.218 4.906 1.00 . A A . 20 LEU HD12 1 1 19 8324 1 1 20 LEU HD13 H -1.266 21.637 5.882 1.00 . A A . 20 LEU HD13 1 1 19 8325 1 1 20 LEU HD21 H 2.251 22.329 5.397 1.00 . A A . 20 LEU HD21 1 1 19 8326 1 1 20 LEU HD22 H 0.598 22.927 5.248 1.00 . A A . 20 LEU HD22 1 1 19 8327 1 1 20 LEU HD23 H 1.203 21.715 4.117 1.00 . A A . 20 LEU HD23 1 1 19 8328 1 1 20 LEU HG H 1.287 20.050 5.815 1.00 . A A . 20 LEU HG 1 1 19 8329 1 1 20 LEU N N 0.978 20.734 9.907 1.00 . A A . 20 LEU N 1 1 19 8330 1 1 20 LEU O O 2.229 18.514 8.998 1.00 . A A . 20 LEU O 1 1 19 8331 1 1 21 CYS C C 2.799 17.256 5.957 1.00 . A A . 21 CYS C 1 1 19 8332 1 1 21 CYS CA C 1.523 17.034 6.763 1.00 . A A . 21 CYS CA 1 1 19 8333 1 1 21 CYS CB C 0.519 16.226 5.939 1.00 . A A . 21 CYS CB 1 1 19 8334 1 1 21 CYS H H 0.224 18.700 6.620 1.00 . A A . 21 CYS H 1 1 19 8335 1 1 21 CYS HA H 1.768 16.482 7.658 1.00 . A A . 21 CYS HA 1 1 19 8336 1 1 21 CYS HB2 H -0.404 16.782 5.863 1.00 . A A . 21 CYS HB2 1 1 19 8337 1 1 21 CYS HB3 H 0.921 16.069 4.949 1.00 . A A . 21 CYS HB3 1 1 19 8338 1 1 21 CYS N N 0.936 18.306 7.168 1.00 . A A . 21 CYS N 1 1 19 8339 1 1 21 CYS O O 3.318 18.371 5.895 1.00 . A A . 21 CYS O 1 1 19 8340 1 1 21 CYS SG S 0.124 14.592 6.642 1.00 . A A . 21 CYS SG 1 1 19 8341 1 1 22 . C C 5.583 17.052 5.274 1.00 . A A . 22 DBB C 1 1 19 8342 1 1 22 . CA C 4.509 16.261 4.550 1.00 . A A . 22 DBB CA 1 1 19 8343 1 1 22 . CB C 5.038 14.848 4.230 1.00 . A A . 22 DBB CB 1 1 19 8344 1 1 22 . CG C 3.874 13.991 3.731 1.00 . A A . 22 DBB CG 1 1 19 8345 1 1 22 . H H 2.829 15.327 5.436 1.00 . A A . 22 DBB H 1 1 19 8346 1 1 22 . HA H 4.276 16.757 3.620 1.00 . A A . 22 DBB HA 1 1 19 8347 1 1 22 . HB3 H 5.390 14.422 5.162 1.00 . A A . 22 DBB HB3 1 1 19 8348 1 1 22 . HG1 H 3.662 13.220 4.454 1.00 . A A . 22 DBB HG1 1 1 19 8349 1 1 22 . HG2 H 4.135 13.542 2.786 1.00 . A A . 22 DBB HG2 1 1 19 8350 1 1 22 . HG3 H 3.002 14.618 3.607 1.00 . A A . 22 DBB HG3 1 1 19 8351 1 1 22 . N N 3.295 16.193 5.345 1.00 . A A . 22 DBB N 1 1 19 8352 1 1 22 . O O 6.197 17.951 4.699 1.00 . A A . 22 DBB O 1 1 19 8353 1 1 23 VAL C C 7.627 16.446 8.165 1.00 . A A . 23 VAL C 1 1 19 8354 1 1 23 VAL CA C 6.787 17.428 7.356 1.00 . A A . 23 VAL CA 1 1 19 8355 1 1 23 VAL CB C 6.121 18.430 8.318 1.00 . A A . 23 VAL CB 1 1 19 8356 1 1 23 VAL CG1 C 7.171 19.279 9.017 1.00 . A A . 23 VAL CG1 1 1 19 8357 1 1 23 VAL CG2 C 5.127 19.306 7.569 1.00 . A A . 23 VAL CG2 1 1 19 8358 1 1 23 VAL H H 5.275 16.004 6.949 1.00 . A A . 23 VAL H 1 1 19 8359 1 1 23 VAL HA H 7.436 17.978 6.690 1.00 . A A . 23 VAL HA 1 1 19 8360 1 1 23 VAL HB H 5.582 17.873 9.070 1.00 . A A . 23 VAL HB 1 1 19 8361 1 1 23 VAL HG11 H 6.703 20.159 9.434 1.00 . A A . 23 VAL HG11 1 1 19 8362 1 1 23 VAL HG12 H 7.631 18.705 9.807 1.00 . A A . 23 VAL HG12 1 1 19 8363 1 1 23 VAL HG13 H 7.925 19.578 8.303 1.00 . A A . 23 VAL HG13 1 1 19 8364 1 1 23 VAL HG21 H 5.268 19.183 6.506 1.00 . A A . 23 VAL HG21 1 1 19 8365 1 1 23 VAL HG22 H 4.121 19.017 7.836 1.00 . A A . 23 VAL HG22 1 1 19 8366 1 1 23 VAL HG23 H 5.286 20.341 7.836 1.00 . A A . 23 VAL HG23 1 1 19 8367 1 1 23 VAL N N 5.796 16.730 6.546 1.00 . A A . 23 VAL N 1 1 19 8368 1 1 23 VAL O O 7.148 15.379 8.552 1.00 . A A . 23 VAL O 1 1 19 8369 1 1 24 . C C 10.225 14.776 8.340 1.00 . A A . 24 DBB C 1 1 19 8370 1 1 24 . CA C 9.784 15.968 9.169 1.00 . A A . 24 DBB CA 1 1 19 8371 1 1 24 . CB C 11.024 16.765 9.625 1.00 . A A . 24 DBB CB 1 1 19 8372 1 1 24 . CG C 10.629 18.233 9.789 1.00 . A A . 24 DBB CG 1 1 19 8373 1 1 24 . H H 9.194 17.682 8.076 1.00 . A A . 24 DBB H 1 1 19 8374 1 1 24 . HA H 9.267 15.612 10.047 1.00 . A A . 24 DBB HA 1 1 19 8375 1 1 24 . HB3 H 11.753 16.702 8.826 1.00 . A A . 24 DBB HB3 1 1 19 8376 1 1 24 . HG1 H 10.791 18.753 8.858 1.00 . A A . 24 DBB HG1 1 1 19 8377 1 1 24 . HG2 H 11.228 18.683 10.565 1.00 . A A . 24 DBB HG2 1 1 19 8378 1 1 24 . HG3 H 9.584 18.290 10.056 1.00 . A A . 24 DBB HG3 1 1 19 8379 1 1 24 . N N 8.873 16.812 8.415 1.00 . A A . 24 DBB N 1 1 19 8380 1 1 24 . O O 9.786 14.604 7.202 1.00 . A A . 24 DBB O 1 1 19 8381 1 1 25 LYS C C 10.653 12.326 7.126 1.00 . A A . 25 LYS C 1 1 19 8382 1 1 25 LYS CA C 11.627 12.791 8.203 1.00 . A A . 25 LYS CA 1 1 19 8383 1 1 25 LYS CB C 11.889 11.653 9.193 1.00 . A A . 25 LYS CB 1 1 19 8384 1 1 25 LYS CD C 13.915 10.792 7.983 1.00 . A A . 25 LYS CD 1 1 19 8385 1 1 25 LYS CE C 13.183 9.554 7.488 1.00 . A A . 25 LYS CE 1 1 19 8386 1 1 25 LYS CG C 13.356 11.275 9.311 1.00 . A A . 25 LYS CG 1 1 19 8387 1 1 25 LYS H H 11.422 14.150 9.813 1.00 . A A . 25 LYS H 1 1 19 8388 1 1 25 LYS HA H 12.558 13.070 7.734 1.00 . A A . 25 LYS HA 1 1 19 8389 1 1 25 LYS HB2 H 11.537 11.953 10.169 1.00 . A A . 25 LYS HB2 1 1 19 8390 1 1 25 LYS HB3 H 11.339 10.780 8.874 1.00 . A A . 25 LYS HB3 1 1 19 8391 1 1 25 LYS HD2 H 13.808 11.577 7.250 1.00 . A A . 25 LYS HD2 1 1 19 8392 1 1 25 LYS HD3 H 14.962 10.554 8.109 1.00 . A A . 25 LYS HD3 1 1 19 8393 1 1 25 LYS HE2 H 12.293 9.864 6.963 1.00 . A A . 25 LYS HE2 1 1 19 8394 1 1 25 LYS HE3 H 13.831 9.015 6.812 1.00 . A A . 25 LYS HE3 1 1 19 8395 1 1 25 LYS HG2 H 13.917 12.140 9.631 1.00 . A A . 25 LYS HG2 1 1 19 8396 1 1 25 LYS HG3 H 13.457 10.486 10.043 1.00 . A A . 25 LYS HG3 1 1 19 8397 1 1 25 LYS HZ1 H 12.718 7.673 8.269 1.00 . A A . 25 LYS HZ1 1 1 19 8398 1 1 25 LYS HZ2 H 11.880 8.946 9.003 1.00 . A A . 25 LYS HZ2 1 1 19 8399 1 1 25 LYS HZ3 H 13.512 8.691 9.362 1.00 . A A . 25 LYS HZ3 1 1 19 8400 1 1 25 LYS N N 11.110 13.961 8.903 1.00 . A A . 25 LYS N 1 1 19 8401 1 1 25 LYS NZ N 12.796 8.653 8.609 1.00 . A A . 25 LYS NZ 1 1 19 8402 1 1 25 LYS O O 11.064 11.858 6.065 1.00 . A A . 25 LYS O 1 1 19 8403 1 1 26 GLU C C 8.600 12.637 5.075 1.00 . A A . 26 GLU C 1 1 19 8404 1 1 26 GLU CA C 8.328 12.054 6.459 1.00 . A A . 26 GLU CA 1 1 19 8405 1 1 26 GLU CB C 6.950 12.501 6.950 1.00 . A A . 26 GLU CB 1 1 19 8406 1 1 26 GLU CD C 5.346 12.571 8.901 1.00 . A A . 26 GLU CD 1 1 19 8407 1 1 26 GLU CG C 6.790 12.433 8.460 1.00 . A A . 26 GLU CG 1 1 19 8408 1 1 26 GLU H H 9.094 12.840 8.269 1.00 . A A . 26 GLU H 1 1 19 8409 1 1 26 GLU HA H 8.345 10.977 6.392 1.00 . A A . 26 GLU HA 1 1 19 8410 1 1 26 GLU HB2 H 6.781 13.520 6.636 1.00 . A A . 26 GLU HB2 1 1 19 8411 1 1 26 GLU HB3 H 6.199 11.867 6.501 1.00 . A A . 26 GLU HB3 1 1 19 8412 1 1 26 GLU HG2 H 7.167 11.482 8.806 1.00 . A A . 26 GLU HG2 1 1 19 8413 1 1 26 GLU HG3 H 7.366 13.231 8.906 1.00 . A A . 26 GLU HG3 1 1 19 8414 1 1 26 GLU N N 9.360 12.460 7.406 1.00 . A A . 26 GLU N 1 1 19 8415 1 1 26 GLU O O 8.564 11.925 4.071 1.00 . A A . 26 GLU O 1 1 19 8416 1 1 26 GLU OE1 O 4.755 13.647 8.670 1.00 . A A . 26 GLU OE1 1 1 19 8417 1 1 26 GLU OE2 O 4.807 11.603 9.477 1.00 . A A . 26 GLU OE2 1 1 19 8418 1 1 27 CYS C C 10.492 15.340 3.827 1.00 . A A . 27 CYS C 1 1 19 8419 1 1 27 CYS CA C 9.149 14.617 3.770 1.00 . A A . 27 CYS CA 1 1 19 8420 1 1 27 CYS CB C 8.034 15.614 3.449 1.00 . A A . 27 CYS CB 1 1 19 8421 1 1 27 CYS H H 8.887 14.452 5.864 1.00 . A A . 27 CYS H 1 1 19 8422 1 1 27 CYS HA H 9.189 13.871 2.992 1.00 . A A . 27 CYS HA 1 1 19 8423 1 1 27 CYS HB2 H 7.888 16.265 4.299 1.00 . A A . 27 CYS HB2 1 1 19 8424 1 1 27 CYS HB3 H 8.326 16.207 2.595 1.00 . A A . 27 CYS HB3 1 1 19 8425 1 1 27 CYS N N 8.872 13.937 5.030 1.00 . A A . 27 CYS N 1 1 19 8426 1 1 27 CYS O O 11.030 15.753 2.800 1.00 . A A . 27 CYS O 1 1 19 8427 1 1 27 CYS SG S 6.431 14.839 3.066 1.00 . A A . 27 CYS SG 1 1 19 8428 1 1 28 MET C C 13.258 15.296 6.048 1.00 . A A . 28 MET C 1 1 19 8429 1 1 28 MET CA C 12.308 16.160 5.225 1.00 . A A . 28 MET CA 1 1 19 8430 1 1 28 MET CB C 12.103 17.511 5.913 1.00 . A A . 28 MET CB 1 1 19 8431 1 1 28 MET CE C 11.479 19.925 3.527 1.00 . A A . 28 MET CE 1 1 19 8432 1 1 28 MET CG C 13.031 18.601 5.402 1.00 . A A . 28 MET CG 1 1 19 8433 1 1 28 MET H H 10.551 15.138 5.816 1.00 . A A . 28 MET H 1 1 19 8434 1 1 28 MET HA H 12.743 16.325 4.250 1.00 . A A . 28 MET HA 1 1 19 8435 1 1 28 MET HB2 H 11.084 17.831 5.754 1.00 . A A . 28 MET HB2 1 1 19 8436 1 1 28 MET HB3 H 12.273 17.391 6.973 1.00 . A A . 28 MET HB3 1 1 19 8437 1 1 28 MET HE1 H 11.494 20.612 4.361 1.00 . A A . 28 MET HE1 1 1 19 8438 1 1 28 MET HE2 H 11.509 20.482 2.602 1.00 . A A . 28 MET HE2 1 1 19 8439 1 1 28 MET HE3 H 10.575 19.335 3.562 1.00 . A A . 28 MET HE3 1 1 19 8440 1 1 28 MET HG2 H 12.781 19.528 5.895 1.00 . A A . 28 MET HG2 1 1 19 8441 1 1 28 MET HG3 H 14.048 18.330 5.643 1.00 . A A . 28 MET HG3 1 1 19 8442 1 1 28 MET N N 11.028 15.489 5.034 1.00 . A A . 28 MET N 1 1 19 8443 1 1 28 MET O O 13.037 15.043 7.232 1.00 . A A . 28 MET O 1 1 19 8444 1 1 28 MET SD S 12.902 18.843 3.620 1.00 . A A . 28 MET SD 1 1 19 8445 1 1 29 PRO C C 16.165 14.756 7.094 1.00 . A A . 29 PRO C 1 1 19 8446 1 1 29 PRO CA C 15.346 13.988 6.062 1.00 . A A . 29 PRO CA 1 1 19 8447 1 1 29 PRO CB C 16.237 13.533 4.903 1.00 . A A . 29 PRO CB 1 1 19 8448 1 1 29 PRO CD C 14.668 15.092 3.996 1.00 . A A . 29 PRO CD 1 1 19 8449 1 1 29 PRO CG C 16.081 14.592 3.867 1.00 . A A . 29 PRO CG 1 1 19 8450 1 1 29 PRO HA H 14.896 13.125 6.532 1.00 . A A . 29 PRO HA 1 1 19 8451 1 1 29 PRO HB2 H 17.261 13.458 5.241 1.00 . A A . 29 PRO HB2 1 1 19 8452 1 1 29 PRO HB3 H 15.900 12.573 4.541 1.00 . A A . 29 PRO HB3 1 1 19 8453 1 1 29 PRO HD2 H 14.621 16.149 3.778 1.00 . A A . 29 PRO HD2 1 1 19 8454 1 1 29 PRO HD3 H 14.012 14.540 3.340 1.00 . A A . 29 PRO HD3 1 1 19 8455 1 1 29 PRO HG2 H 16.780 15.393 4.053 1.00 . A A . 29 PRO HG2 1 1 19 8456 1 1 29 PRO HG3 H 16.241 14.171 2.886 1.00 . A A . 29 PRO HG3 1 1 19 8457 1 1 29 PRO N N 14.341 14.830 5.408 1.00 . A A . 29 PRO N 1 1 19 8458 1 1 29 PRO O O 16.870 14.162 7.909 1.00 . A A . 29 PRO O 1 1 19 8459 1 1 30 SER C C 16.113 16.969 9.343 1.00 . A A . 30 SER C 1 1 19 8460 1 1 30 SER CA C 16.800 16.932 7.982 1.00 . A A . 30 SER CA 1 1 19 8461 1 1 30 SER CB C 16.923 18.350 7.421 1.00 . A A . 30 SER CB 1 1 19 8462 1 1 30 SER H H 15.487 16.497 6.379 1.00 . A A . 30 SER H 1 1 19 8463 1 1 30 SER HA H 17.789 16.515 8.103 1.00 . A A . 30 SER HA 1 1 19 8464 1 1 30 SER HB2 H 17.057 18.300 6.351 1.00 . A A . 30 SER HB2 1 1 19 8465 1 1 30 SER HB3 H 16.022 18.902 7.646 1.00 . A A . 30 SER HB3 1 1 19 8466 1 1 30 SER HG H 18.085 19.914 7.622 1.00 . A A . 30 SER HG 1 1 19 8467 1 1 30 SER N N 16.066 16.081 7.053 1.00 . A A . 30 SER N 1 1 19 8468 1 1 30 SER O O 16.233 17.944 10.087 1.00 . A A . 30 SER O 1 1 19 8469 1 1 30 SER OG O 18.030 19.029 7.989 1.00 . A A . 30 SER OG 1 1 19 8470 1 1 31 CYS C C 15.530 15.092 11.980 1.00 . A A . 31 CYS C 1 1 19 8471 1 1 31 CYS CA C 14.682 15.810 10.935 1.00 . A A . 31 CYS CA 1 1 19 8472 1 1 31 CYS CB C 13.352 15.075 10.750 1.00 . A A . 31 CYS CB 1 1 19 8473 1 1 31 CYS H H 15.331 15.155 9.030 1.00 . A A . 31 CYS H 1 1 19 8474 1 1 31 CYS HA H 14.483 16.814 11.277 1.00 . A A . 31 CYS HA 1 1 19 8475 1 1 31 CYS HB2 H 13.267 14.754 9.722 1.00 . A A . 31 CYS HB2 1 1 19 8476 1 1 31 CYS HB3 H 13.335 14.209 11.395 1.00 . A A . 31 CYS HB3 1 1 19 8477 1 1 31 CYS N N 15.390 15.901 9.664 1.00 . A A . 31 CYS N 1 1 19 8478 1 1 31 CYS O O 15.438 13.876 12.141 1.00 . A A . 31 CYS O 1 1 19 8479 1 1 31 CYS SG S 11.885 16.084 11.136 1.00 . A A . 31 CYS SG 1 1 19 8480 1 1 32 ASN C C 16.609 15.477 15.104 1.00 . A A . 32 ASN C 1 1 19 8481 1 1 32 ASN CA C 17.222 15.293 13.719 1.00 . A A . 32 ASN CA 1 1 19 8482 1 1 32 ASN CB C 18.603 15.950 13.669 1.00 . A A . 32 ASN CB 1 1 19 8483 1 1 32 ASN CG C 19.662 15.125 14.375 1.00 . A A . 32 ASN CG 1 1 19 8484 1 1 32 ASN H H 16.385 16.819 12.515 1.00 . A A . 32 ASN H 1 1 19 8485 1 1 32 ASN HA H 17.328 14.237 13.522 1.00 . A A . 32 ASN HA 1 1 19 8486 1 1 32 ASN HB2 H 18.899 16.073 12.637 1.00 . A A . 32 ASN HB2 1 1 19 8487 1 1 32 ASN HB3 H 18.552 16.919 14.142 1.00 . A A . 32 ASN HB3 1 1 19 8488 1 1 32 ASN HD21 H 20.050 14.138 12.692 1.00 . A A . 32 ASN HD21 1 1 19 8489 1 1 32 ASN HD22 H 20.985 13.674 14.069 1.00 . A A . 32 ASN HD22 1 1 19 8490 1 1 32 ASN N N 16.356 15.855 12.689 1.00 . A A . 32 ASN N 1 1 19 8491 1 1 32 ASN ND2 N 20.296 14.221 13.637 1.00 . A A . 32 ASN ND2 1 1 19 8492 1 1 32 ASN O O 15.879 14.613 15.590 1.00 . A A . 32 ASN O 1 1 19 8493 1 1 32 ASN OD1 O 19.906 15.299 15.569 1.00 . A A . 32 ASN OD1 1 1 20 8494 1 1 1 2KT C1 C -8.029 10.200 22.815 1.00 . A A . 1 2KT C1 1 1 20 8495 1 1 1 2KT C2 C -8.757 11.139 23.436 1.00 . A A . 1 2KT C2 1 1 20 8496 1 1 1 2KT C3 C -8.381 11.593 24.563 1.00 . A A . 1 2KT C3 1 1 20 8497 1 1 1 2KT C4 C -7.722 12.699 24.495 1.00 . A A . 1 2KT C4 1 1 20 8498 1 1 1 2KT H31 H -7.705 11.092 25.104 1.00 . A A . 1 2KT H31 1 1 20 8499 1 1 1 2KT H32 H -9.049 11.731 25.295 1.00 . A A . 1 2KT H32 1 1 20 8500 1 1 1 2KT H41 H -7.242 13.046 25.300 1.00 . A A . 1 2KT H41 1 1 20 8501 1 1 1 2KT H42 H -6.965 12.791 23.848 1.00 . A A . 1 2KT H42 1 1 20 8502 1 1 1 2KT H43 H -8.195 13.548 24.256 1.00 . A A . 1 2KT H43 1 1 20 8503 1 1 1 2KT O1 O -7.024 9.778 23.387 1.00 . A A . 1 2KT O1 1 1 20 8504 1 1 1 2KT O3 O -9.786 11.543 22.891 1.00 . A A . 1 2KT O3 1 1 20 8505 1 1 2 ILE C C -6.234 9.205 20.635 1.00 . A A . 2 ILE C 1 1 20 8506 1 1 2 ILE CA C -7.667 8.751 20.895 1.00 . A A . 2 ILE CA 1 1 20 8507 1 1 2 ILE CB C -8.336 8.409 19.551 1.00 . A A . 2 ILE CB 1 1 20 8508 1 1 2 ILE CD1 C -7.431 10.047 17.826 1.00 . A A . 2 ILE CD1 1 1 20 8509 1 1 2 ILE CG1 C -8.580 9.682 18.739 1.00 . A A . 2 ILE CG1 1 1 20 8510 1 1 2 ILE CG2 C -9.642 7.664 19.784 1.00 . A A . 2 ILE CG2 1 1 20 8511 1 1 2 ILE H H -9.227 10.144 21.216 1.00 . A A . 2 ILE H 1 1 20 8512 1 1 2 ILE HA H -7.645 7.857 21.502 1.00 . A A . 2 ILE HA 1 1 20 8513 1 1 2 ILE HB H -7.673 7.760 18.999 1.00 . A A . 2 ILE HB 1 1 20 8514 1 1 2 ILE HD11 H -7.149 9.183 17.240 1.00 . A A . 2 ILE HD11 1 1 20 8515 1 1 2 ILE HD12 H -7.734 10.845 17.165 1.00 . A A . 2 ILE HD12 1 1 20 8516 1 1 2 ILE HD13 H -6.588 10.369 18.418 1.00 . A A . 2 ILE HD13 1 1 20 8517 1 1 2 ILE HG12 H -9.459 9.549 18.128 1.00 . A A . 2 ILE HG12 1 1 20 8518 1 1 2 ILE HG13 H -8.741 10.508 19.418 1.00 . A A . 2 ILE HG13 1 1 20 8519 1 1 2 ILE HG21 H -9.553 7.050 20.668 1.00 . A A . 2 ILE HG21 1 1 20 8520 1 1 2 ILE HG22 H -10.442 8.376 19.920 1.00 . A A . 2 ILE HG22 1 1 20 8521 1 1 2 ILE HG23 H -9.857 7.038 18.931 1.00 . A A . 2 ILE HG23 1 1 20 8522 1 1 2 ILE N N -8.417 9.768 21.620 1.00 . A A . 2 ILE N 1 1 20 8523 1 1 2 ILE O O -5.941 10.402 20.652 1.00 . A A . 2 ILE O 1 1 20 8524 1 1 3 . C C -3.065 7.881 21.177 1.00 . A A . 3 DBB C 1 1 20 8525 1 1 3 . CA C -3.953 8.541 20.139 1.00 . A A . 3 DBB CA 1 1 20 8526 1 1 3 . CB C -3.541 8.066 18.730 1.00 . A A . 3 DBB CB 1 1 20 8527 1 1 3 . CG C -4.543 8.615 17.715 1.00 . A A . 3 DBB CG 1 1 20 8528 1 1 3 . H H -5.655 7.308 20.397 1.00 . A A . 3 DBB H 1 1 20 8529 1 1 3 . HA H -3.817 9.611 20.190 1.00 . A A . 3 DBB HA 1 1 20 8530 1 1 3 . HB3 H -3.619 6.985 18.725 1.00 . A A . 3 DBB HB3 1 1 20 8531 1 1 3 . HG1 H -5.489 8.113 17.838 1.00 . A A . 3 DBB HG1 1 1 20 8532 1 1 3 . HG2 H -4.171 8.450 16.716 1.00 . A A . 3 DBB HG2 1 1 20 8533 1 1 3 . HG3 H -4.672 9.675 17.884 1.00 . A A . 3 DBB HG3 1 1 20 8534 1 1 3 . N N -5.353 8.249 20.396 1.00 . A A . 3 DBB N 1 1 20 8535 1 1 3 . O O -1.867 7.699 20.957 1.00 . A A . 3 DBB O 1 1 20 8536 1 1 4 LEU C C -1.753 6.073 22.862 1.00 . A A . 4 LEU C 1 1 20 8537 1 1 4 LEU CA C -2.901 6.917 23.406 1.00 . A A . 4 LEU CA 1 1 20 8538 1 1 4 LEU CB C -3.828 6.049 24.259 1.00 . A A . 4 LEU CB 1 1 20 8539 1 1 4 LEU CD1 C -5.770 7.597 24.597 1.00 . A A . 4 LEU CD1 1 1 20 8540 1 1 4 LEU CD2 C -5.292 5.809 26.280 1.00 . A A . 4 LEU CD2 1 1 20 8541 1 1 4 LEU CG C -4.682 6.790 25.288 1.00 . A A . 4 LEU CG 1 1 20 8542 1 1 4 LEU H H -4.607 7.710 22.438 1.00 . A A . 4 LEU H 1 1 20 8543 1 1 4 LEU HA H -2.492 7.705 24.021 1.00 . A A . 4 LEU HA 1 1 20 8544 1 1 4 LEU HB2 H -4.494 5.524 23.593 1.00 . A A . 4 LEU HB2 1 1 20 8545 1 1 4 LEU HB3 H -3.215 5.334 24.789 1.00 . A A . 4 LEU HB3 1 1 20 8546 1 1 4 LEU HD11 H -6.287 6.970 23.886 1.00 . A A . 4 LEU HD11 1 1 20 8547 1 1 4 LEU HD12 H -5.324 8.434 24.082 1.00 . A A . 4 LEU HD12 1 1 20 8548 1 1 4 LEU HD13 H -6.472 7.960 25.334 1.00 . A A . 4 LEU HD13 1 1 20 8549 1 1 4 LEU HD21 H -4.680 5.770 27.169 1.00 . A A . 4 LEU HD21 1 1 20 8550 1 1 4 LEU HD22 H -5.339 4.828 25.832 1.00 . A A . 4 LEU HD22 1 1 20 8551 1 1 4 LEU HD23 H -6.288 6.135 26.541 1.00 . A A . 4 LEU HD23 1 1 20 8552 1 1 4 LEU HG H -4.056 7.478 25.839 1.00 . A A . 4 LEU HG 1 1 20 8553 1 1 4 LEU N N -3.650 7.540 22.320 1.00 . A A . 4 LEU N 1 1 20 8554 1 1 4 LEU O O -1.966 5.238 21.977 1.00 . A A . 4 LEU O 1 1 20 8555 1 1 5 DHA C C 1.651 6.273 22.425 1.00 . A A . 5 DHA C 1 1 20 8556 1 1 5 DHA CA C 0.548 5.593 22.987 1.00 . A A . 5 DHA CA 1 1 20 8557 1 1 5 DHA CB C 0.594 4.265 23.150 1.00 . A A . 5 DHA CB 1 1 20 8558 1 1 5 DHA H H -0.515 6.983 24.090 1.00 . A A . 5 DHA H 1 1 20 8559 1 1 5 DHA HB1 H -0.244 3.744 23.589 1.00 . A A . 5 DHA HB1 1 1 20 8560 1 1 5 DHA HB2 H 1.478 3.719 22.874 1.00 . A A . 5 DHA HB2 1 1 20 8561 1 1 5 DHA N N -0.555 6.296 23.397 1.00 . A A . 5 DHA N 1 1 20 8562 1 1 5 DHA O O 2.476 6.853 23.139 1.00 . A A . 5 DHA O 1 1 20 8563 1 1 6 DBU C C 2.341 8.280 19.719 1.00 . A A . 6 DBU C 1 1 20 8564 1 1 6 DBU CA C 2.675 7.003 20.468 1.00 . A A . 6 DBU CA 1 1 20 8565 1 1 6 DBU CB C 3.941 6.559 20.512 1.00 . A A . 6 DBU CB 1 1 20 8566 1 1 6 DBU CG C 4.244 5.295 21.262 1.00 . A A . 6 DBU CG 1 1 20 8567 1 1 6 DBU H1 H 0.976 5.819 20.625 1.00 . A A . 6 DBU H1 1 1 20 8568 1 1 6 DBU HB1 H 4.725 7.105 20.006 1.00 . A A . 6 DBU HB1 1 1 20 8569 1 1 6 DBU HG1 H 4.193 5.484 22.323 1.00 . A A . 6 DBU HG1 1 1 20 8570 1 1 6 DBU HG2 H 5.236 4.956 21.014 1.00 . A A . 6 DBU HG2 1 1 20 8571 1 1 6 DBU HG3 H 3.521 4.539 20.990 1.00 . A A . 6 DBU HG3 1 1 20 8572 1 1 6 DBU N N 1.679 6.316 21.098 1.00 . A A . 6 DBU N 1 1 20 8573 1 1 6 DBU O O 3.218 8.945 19.166 1.00 . A A . 6 DBU O 1 1 20 8574 1 1 7 CYS C C 1.219 11.053 19.530 1.00 . A A . 7 CYS C 1 1 20 8575 1 1 7 CYS CA C 0.585 9.786 18.962 1.00 . A A . 7 CYS CA 1 1 20 8576 1 1 7 CYS CB C -0.940 9.886 19.043 1.00 . A A . 7 CYS CB 1 1 20 8577 1 1 7 CYS H H 0.401 8.036 20.138 1.00 . A A . 7 CYS H 1 1 20 8578 1 1 7 CYS HA H 0.876 9.686 17.928 1.00 . A A . 7 CYS HA 1 1 20 8579 1 1 7 CYS HB2 H -1.235 9.927 20.082 1.00 . A A . 7 CYS HB2 1 1 20 8580 1 1 7 CYS HB3 H -1.261 10.790 18.547 1.00 . A A . 7 CYS HB3 1 1 20 8581 1 1 7 CYS N N 1.053 8.605 19.677 1.00 . A A . 7 CYS N 1 1 20 8582 1 1 7 CYS O O 1.635 11.939 18.785 1.00 . A A . 7 CYS O 1 1 20 8583 1 1 7 CYS SG S -1.818 8.488 18.274 1.00 . A A . 7 CYS SG 1 1 20 8584 1 1 8 ALA C C 3.393 12.289 21.385 1.00 . A A . 8 ALA C 1 1 20 8585 1 1 8 ALA CA C 1.875 12.285 21.523 1.00 . A A . 8 ALA CA 1 1 20 8586 1 1 8 ALA CB C 1.477 12.304 22.992 1.00 . A A . 8 ALA CB 1 1 20 8587 1 1 8 ALA H H 0.941 10.391 21.396 1.00 . A A . 8 ALA H 1 1 20 8588 1 1 8 ALA HA H 1.479 13.176 21.057 1.00 . A A . 8 ALA HA 1 1 20 8589 1 1 8 ALA HB1 H 0.690 11.583 23.159 1.00 . A A . 8 ALA HB1 1 1 20 8590 1 1 8 ALA HB2 H 2.333 12.050 23.600 1.00 . A A . 8 ALA HB2 1 1 20 8591 1 1 8 ALA HB3 H 1.125 13.289 23.257 1.00 . A A . 8 ALA HB3 1 1 20 8592 1 1 8 ALA N N 1.289 11.130 20.855 1.00 . A A . 8 ALA N 1 1 20 8593 1 1 8 ALA O O 4.060 13.247 21.777 1.00 . A A . 8 ALA O 1 1 20 8594 1 1 9 ILE C C 5.779 11.505 19.224 1.00 . A A . 9 ILE C 1 1 20 8595 1 1 9 ILE CA C 5.374 11.092 20.635 1.00 . A A . 9 ILE CA 1 1 20 8596 1 1 9 ILE CB C 5.859 9.653 20.896 1.00 . A A . 9 ILE CB 1 1 20 8597 1 1 9 ILE CD1 C 6.082 7.917 22.744 1.00 . A A . 9 ILE CD1 1 1 20 8598 1 1 9 ILE CG1 C 5.385 9.173 22.269 1.00 . A A . 9 ILE CG1 1 1 20 8599 1 1 9 ILE CG2 C 7.375 9.579 20.797 1.00 . A A . 9 ILE CG2 1 1 20 8600 1 1 9 ILE H H 3.351 10.481 20.533 1.00 . A A . 9 ILE H 1 1 20 8601 1 1 9 ILE HA H 5.859 11.747 21.344 1.00 . A A . 9 ILE HA 1 1 20 8602 1 1 9 ILE HB H 5.441 9.013 20.134 1.00 . A A . 9 ILE HB 1 1 20 8603 1 1 9 ILE HD11 H 5.954 7.135 22.009 1.00 . A A . 9 ILE HD11 1 1 20 8604 1 1 9 ILE HD12 H 7.135 8.117 22.875 1.00 . A A . 9 ILE HD12 1 1 20 8605 1 1 9 ILE HD13 H 5.655 7.601 23.683 1.00 . A A . 9 ILE HD13 1 1 20 8606 1 1 9 ILE HG12 H 5.566 9.948 22.997 1.00 . A A . 9 ILE HG12 1 1 20 8607 1 1 9 ILE HG13 H 4.325 8.968 22.224 1.00 . A A . 9 ILE HG13 1 1 20 8608 1 1 9 ILE HG21 H 7.689 9.912 19.818 1.00 . A A . 9 ILE HG21 1 1 20 8609 1 1 9 ILE HG22 H 7.816 10.213 21.551 1.00 . A A . 9 ILE HG22 1 1 20 8610 1 1 9 ILE HG23 H 7.697 8.560 20.950 1.00 . A A . 9 ILE HG23 1 1 20 8611 1 1 9 ILE N N 3.934 11.212 20.826 1.00 . A A . 9 ILE N 1 1 20 8612 1 1 9 ILE O O 6.721 12.277 19.037 1.00 . A A . 9 ILE O 1 1 20 8613 1 1 10 LEU C C 4.435 12.425 16.339 1.00 . A A . 10 LEU C 1 1 20 8614 1 1 10 LEU CA C 5.343 11.304 16.838 1.00 . A A . 10 LEU CA 1 1 20 8615 1 1 10 LEU CB C 5.163 10.061 15.966 1.00 . A A . 10 LEU CB 1 1 20 8616 1 1 10 LEU CD1 C 6.349 8.282 14.658 1.00 . A A . 10 LEU CD1 1 1 20 8617 1 1 10 LEU CD2 C 6.099 10.578 13.699 1.00 . A A . 10 LEU CD2 1 1 20 8618 1 1 10 LEU CG C 6.288 9.768 14.973 1.00 . A A . 10 LEU CG 1 1 20 8619 1 1 10 LEU H H 4.323 10.379 18.445 1.00 . A A . 10 LEU H 1 1 20 8620 1 1 10 LEU HA H 6.369 11.633 16.774 1.00 . A A . 10 LEU HA 1 1 20 8621 1 1 10 LEU HB2 H 5.070 9.208 16.621 1.00 . A A . 10 LEU HB2 1 1 20 8622 1 1 10 LEU HB3 H 4.247 10.181 15.404 1.00 . A A . 10 LEU HB3 1 1 20 8623 1 1 10 LEU HD11 H 6.939 7.778 15.409 1.00 . A A . 10 LEU HD11 1 1 20 8624 1 1 10 LEU HD12 H 6.802 8.138 13.688 1.00 . A A . 10 LEU HD12 1 1 20 8625 1 1 10 LEU HD13 H 5.349 7.874 14.651 1.00 . A A . 10 LEU HD13 1 1 20 8626 1 1 10 LEU HD21 H 6.522 11.563 13.832 1.00 . A A . 10 LEU HD21 1 1 20 8627 1 1 10 LEU HD22 H 5.045 10.665 13.481 1.00 . A A . 10 LEU HD22 1 1 20 8628 1 1 10 LEU HD23 H 6.596 10.080 12.879 1.00 . A A . 10 LEU HD23 1 1 20 8629 1 1 10 LEU HG H 7.233 10.054 15.415 1.00 . A A . 10 LEU HG 1 1 20 8630 1 1 10 LEU N N 5.060 10.988 18.234 1.00 . A A . 10 LEU N 1 1 20 8631 1 1 10 LEU O O 4.258 12.610 15.134 1.00 . A A . 10 LEU O 1 1 20 8632 1 1 11 DAL C C 3.724 15.377 16.189 1.00 . A A . 11 DAL C 1 1 20 8633 1 1 11 DAL CA C 2.975 14.268 16.926 1.00 . A A . 11 DAL CA 1 1 20 8634 1 1 11 DAL CB C 1.828 13.757 16.058 1.00 . A A . 11 DAL CB 1 1 20 8635 1 1 11 DAL H H 4.039 12.980 18.218 1.00 . A A . 11 DAL H 1 1 20 8636 1 1 11 DAL HA H 2.569 14.666 17.843 1.00 . A A . 11 DAL HA 1 1 20 8637 1 1 11 DAL HB2 H 0.918 14.254 16.356 1.00 . A A . 11 DAL HB2 1 1 20 8638 1 1 11 DAL HB3 H 1.717 12.689 16.215 1.00 . A A . 11 DAL HB3 1 1 20 8639 1 1 11 DAL N N 3.864 13.171 17.270 1.00 . A A . 11 DAL N 1 1 20 8640 1 1 11 DAL O O 4.399 15.133 15.189 1.00 . A A . 11 DAL O 1 1 20 8641 1 1 12 LYS C C 4.067 17.750 14.573 1.00 . A A . 12 LYS C 1 1 20 8642 1 1 12 LYS CA C 4.254 17.751 16.087 1.00 . A A . 12 LYS CA 1 1 20 8643 1 1 12 LYS CB C 5.746 17.748 16.427 1.00 . A A . 12 LYS CB 1 1 20 8644 1 1 12 LYS CD C 7.922 16.495 16.434 1.00 . A A . 12 LYS CD 1 1 20 8645 1 1 12 LYS CE C 8.600 17.626 15.676 1.00 . A A . 12 LYS CE 1 1 20 8646 1 1 12 LYS CG C 6.436 16.430 16.125 1.00 . A A . 12 LYS CG 1 1 20 8647 1 1 12 LYS H H 3.043 16.732 17.492 1.00 . A A . 12 LYS H 1 1 20 8648 1 1 12 LYS HA H 3.802 18.644 16.492 1.00 . A A . 12 LYS HA 1 1 20 8649 1 1 12 LYS HB2 H 6.234 18.525 15.858 1.00 . A A . 12 LYS HB2 1 1 20 8650 1 1 12 LYS HB3 H 5.862 17.959 17.481 1.00 . A A . 12 LYS HB3 1 1 20 8651 1 1 12 LYS HD2 H 8.055 16.657 17.493 1.00 . A A . 12 LYS HD2 1 1 20 8652 1 1 12 LYS HD3 H 8.381 15.558 16.151 1.00 . A A . 12 LYS HD3 1 1 20 8653 1 1 12 LYS HE2 H 9.632 17.361 15.507 1.00 . A A . 12 LYS HE2 1 1 20 8654 1 1 12 LYS HE3 H 8.101 17.754 14.726 1.00 . A A . 12 LYS HE3 1 1 20 8655 1 1 12 LYS HG2 H 5.988 15.653 16.728 1.00 . A A . 12 LYS HG2 1 1 20 8656 1 1 12 LYS HG3 H 6.305 16.196 15.078 1.00 . A A . 12 LYS HG3 1 1 20 8657 1 1 12 LYS HZ1 H 8.021 18.780 17.318 1.00 . A A . 12 LYS HZ1 1 1 20 8658 1 1 12 LYS HZ2 H 8.068 19.637 15.860 1.00 . A A . 12 LYS HZ2 1 1 20 8659 1 1 12 LYS HZ3 H 9.508 19.235 16.651 1.00 . A A . 12 LYS HZ3 1 1 20 8660 1 1 12 LYS N N 3.595 16.600 16.692 1.00 . A A . 12 LYS N 1 1 20 8661 1 1 12 LYS NZ N 8.545 18.909 16.429 1.00 . A A . 12 LYS NZ 1 1 20 8662 1 1 12 LYS O O 5.024 17.854 13.805 1.00 . A A . 12 LYS O 1 1 20 8663 1 1 13 PRO C C 2.673 18.976 12.045 1.00 . A A . 13 PRO C 1 1 20 8664 1 1 13 PRO CA C 2.465 17.617 12.705 1.00 . A A . 13 PRO CA 1 1 20 8665 1 1 13 PRO CB C 0.981 17.241 12.700 1.00 . A A . 13 PRO CB 1 1 20 8666 1 1 13 PRO CD C 1.616 17.505 14.989 1.00 . A A . 13 PRO CD 1 1 20 8667 1 1 13 PRO CG C 0.473 17.684 14.029 1.00 . A A . 13 PRO CG 1 1 20 8668 1 1 13 PRO HA H 3.030 16.868 12.170 1.00 . A A . 13 PRO HA 1 1 20 8669 1 1 13 PRO HB2 H 0.479 17.757 11.893 1.00 . A A . 13 PRO HB2 1 1 20 8670 1 1 13 PRO HB3 H 0.877 16.174 12.573 1.00 . A A . 13 PRO HB3 1 1 20 8671 1 1 13 PRO HD2 H 1.600 18.278 15.743 1.00 . A A . 13 PRO HD2 1 1 20 8672 1 1 13 PRO HD3 H 1.575 16.527 15.447 1.00 . A A . 13 PRO HD3 1 1 20 8673 1 1 13 PRO HG2 H 0.180 18.721 13.983 1.00 . A A . 13 PRO HG2 1 1 20 8674 1 1 13 PRO HG3 H -0.364 17.069 14.325 1.00 . A A . 13 PRO HG3 1 1 20 8675 1 1 13 PRO N N 2.806 17.632 14.131 1.00 . A A . 13 PRO N 1 1 20 8676 1 1 13 PRO O O 3.354 19.845 12.591 1.00 . A A . 13 PRO O 1 1 20 8677 1 1 14 LEU C C 1.661 21.574 10.955 1.00 . A A . 14 LEU C 1 1 20 8678 1 1 14 LEU CA C 2.202 20.408 10.134 1.00 . A A . 14 LEU CA 1 1 20 8679 1 1 14 LEU CB C 1.453 20.316 8.803 1.00 . A A . 14 LEU CB 1 1 20 8680 1 1 14 LEU CD1 C 2.941 21.978 7.660 1.00 . A A . 14 LEU CD1 1 1 20 8681 1 1 14 LEU CD2 C 3.315 19.528 7.320 1.00 . A A . 14 LEU CD2 1 1 20 8682 1 1 14 LEU CG C 2.275 20.615 7.549 1.00 . A A . 14 LEU CG 1 1 20 8683 1 1 14 LEU H H 1.552 18.425 10.484 1.00 . A A . 14 LEU H 1 1 20 8684 1 1 14 LEU HA H 3.250 20.578 9.937 1.00 . A A . 14 LEU HA 1 1 20 8685 1 1 14 LEU HB2 H 1.064 19.313 8.711 1.00 . A A . 14 LEU HB2 1 1 20 8686 1 1 14 LEU HB3 H 0.632 21.017 8.837 1.00 . A A . 14 LEU HB3 1 1 20 8687 1 1 14 LEU HD11 H 3.350 22.099 8.652 1.00 . A A . 14 LEU HD11 1 1 20 8688 1 1 14 LEU HD12 H 2.211 22.752 7.474 1.00 . A A . 14 LEU HD12 1 1 20 8689 1 1 14 LEU HD13 H 3.735 22.051 6.931 1.00 . A A . 14 LEU HD13 1 1 20 8690 1 1 14 LEU HD21 H 3.778 19.671 6.355 1.00 . A A . 14 LEU HD21 1 1 20 8691 1 1 14 LEU HD22 H 2.835 18.561 7.350 1.00 . A A . 14 LEU HD22 1 1 20 8692 1 1 14 LEU HD23 H 4.067 19.581 8.093 1.00 . A A . 14 LEU HD23 1 1 20 8693 1 1 14 LEU HG H 1.616 20.636 6.691 1.00 . A A . 14 LEU HG 1 1 20 8694 1 1 14 LEU N N 2.082 19.153 10.869 1.00 . A A . 14 LEU N 1 1 20 8695 1 1 14 LEU O O 1.479 21.462 12.167 1.00 . A A . 14 LEU O 1 1 20 8696 1 1 15 GLY C C -0.519 24.223 10.518 1.00 . A A . 15 GLY C 1 1 20 8697 1 1 15 GLY CA C 0.883 23.864 10.969 1.00 . A A . 15 GLY CA 1 1 20 8698 1 1 15 GLY H H 1.567 22.725 9.320 1.00 . A A . 15 GLY H 1 1 20 8699 1 1 15 GLY HA2 H 0.870 23.670 12.031 1.00 . A A . 15 GLY HA2 1 1 20 8700 1 1 15 GLY HA3 H 1.537 24.701 10.774 1.00 . A A . 15 GLY HA3 1 1 20 8701 1 1 15 GLY N N 1.403 22.694 10.286 1.00 . A A . 15 GLY N 1 1 20 8702 1 1 15 GLY O O -1.189 25.041 11.146 1.00 . A A . 15 GLY O 1 1 20 8703 1 1 16 ASN C C -2.934 22.590 8.371 1.00 . A A . 16 ASN C 1 1 20 8704 1 1 16 ASN CA C -2.293 23.874 8.888 1.00 . A A . 16 ASN CA 1 1 20 8705 1 1 16 ASN CB C -2.217 24.908 7.763 1.00 . A A . 16 ASN CB 1 1 20 8706 1 1 16 ASN CG C -3.530 25.640 7.561 1.00 . A A . 16 ASN CG 1 1 20 8707 1 1 16 ASN H H -0.380 22.969 8.966 1.00 . A A . 16 ASN H 1 1 20 8708 1 1 16 ASN HA H -2.900 24.270 9.688 1.00 . A A . 16 ASN HA 1 1 20 8709 1 1 16 ASN HB2 H -1.454 25.635 8.001 1.00 . A A . 16 ASN HB2 1 1 20 8710 1 1 16 ASN HB3 H -1.958 24.410 6.841 1.00 . A A . 16 ASN HB3 1 1 20 8711 1 1 16 ASN HD21 H -2.644 27.381 7.935 1.00 . A A . 16 ASN HD21 1 1 20 8712 1 1 16 ASN HD22 H -4.334 27.458 7.584 1.00 . A A . 16 ASN HD22 1 1 20 8713 1 1 16 ASN N N -0.962 23.612 9.424 1.00 . A A . 16 ASN N 1 1 20 8714 1 1 16 ASN ND2 N -3.499 26.960 7.708 1.00 . A A . 16 ASN ND2 1 1 20 8715 1 1 16 ASN O O -3.313 22.499 7.205 1.00 . A A . 16 ASN O 1 1 20 8716 1 1 16 ASN OD1 O -4.558 25.027 7.277 1.00 . A A . 16 ASN OD1 1 1 20 8717 1 1 17 ASN C C -3.731 19.392 10.091 1.00 . A A . 17 ASN C 1 1 20 8718 1 1 17 ASN CA C -3.647 20.319 8.882 1.00 . A A . 17 ASN CA 1 1 20 8719 1 1 17 ASN CB C -2.832 19.654 7.771 1.00 . A A . 17 ASN CB 1 1 20 8720 1 1 17 ASN CG C -3.343 18.267 7.431 1.00 . A A . 17 ASN CG 1 1 20 8721 1 1 17 ASN H H -2.730 21.731 10.166 1.00 . A A . 17 ASN H 1 1 20 8722 1 1 17 ASN HA H -4.645 20.510 8.519 1.00 . A A . 17 ASN HA 1 1 20 8723 1 1 17 ASN HB2 H -2.884 20.264 6.881 1.00 . A A . 17 ASN HB2 1 1 20 8724 1 1 17 ASN HB3 H -1.803 19.572 8.087 1.00 . A A . 17 ASN HB3 1 1 20 8725 1 1 17 ASN HD21 H -1.580 17.784 6.648 1.00 . A A . 17 ASN HD21 1 1 20 8726 1 1 17 ASN HD22 H -2.787 16.548 6.602 1.00 . A A . 17 ASN HD22 1 1 20 8727 1 1 17 ASN N N -3.051 21.599 9.249 1.00 . A A . 17 ASN N 1 1 20 8728 1 1 17 ASN ND2 N -2.483 17.450 6.833 1.00 . A A . 17 ASN ND2 1 1 20 8729 1 1 17 ASN O O -2.738 19.158 10.778 1.00 . A A . 17 ASN O 1 1 20 8730 1 1 17 ASN OD1 O -4.496 17.934 7.703 1.00 . A A . 17 ASN OD1 1 1 20 8731 1 1 18 GLY C C -4.996 16.510 11.076 1.00 . A A . 18 GLY C 1 1 20 8732 1 1 18 GLY CA C -5.118 17.969 11.469 1.00 . A A . 18 GLY CA 1 1 20 8733 1 1 18 GLY H H -5.682 19.087 9.762 1.00 . A A . 18 GLY H 1 1 20 8734 1 1 18 GLY HA2 H -4.378 18.191 12.223 1.00 . A A . 18 GLY HA2 1 1 20 8735 1 1 18 GLY HA3 H -6.101 18.137 11.884 1.00 . A A . 18 GLY HA3 1 1 20 8736 1 1 18 GLY N N -4.926 18.865 10.344 1.00 . A A . 18 GLY N 1 1 20 8737 1 1 18 GLY O O -5.316 15.619 11.863 1.00 . A A . 18 GLY O 1 1 20 8738 1 1 19 TYR C C -3.301 14.159 10.144 1.00 . A A . 19 TYR C 1 1 20 8739 1 1 19 TYR CA C -4.375 14.904 9.357 1.00 . A A . 19 TYR CA 1 1 20 8740 1 1 19 TYR CB C -4.015 14.921 7.871 1.00 . A A . 19 TYR CB 1 1 20 8741 1 1 19 TYR CD1 C -5.697 13.132 7.281 1.00 . A A . 19 TYR CD1 1 1 20 8742 1 1 19 TYR CD2 C -3.531 13.009 6.293 1.00 . A A . 19 TYR CD2 1 1 20 8743 1 1 19 TYR CE1 C -6.073 11.984 6.612 1.00 . A A . 19 TYR CE1 1 1 20 8744 1 1 19 TYR CE2 C -3.899 11.862 5.619 1.00 . A A . 19 TYR CE2 1 1 20 8745 1 1 19 TYR CG C -4.422 13.665 7.135 1.00 . A A . 19 TYR CG 1 1 20 8746 1 1 19 TYR CZ C -5.171 11.353 5.781 1.00 . A A . 19 TYR CZ 1 1 20 8747 1 1 19 TYR H H -4.297 17.017 9.274 1.00 . A A . 19 TYR H 1 1 20 8748 1 1 19 TYR HA H -5.318 14.392 9.483 1.00 . A A . 19 TYR HA 1 1 20 8749 1 1 19 TYR HB2 H -4.508 15.756 7.397 1.00 . A A . 19 TYR HB2 1 1 20 8750 1 1 19 TYR HB3 H -2.946 15.035 7.768 1.00 . A A . 19 TYR HB3 1 1 20 8751 1 1 19 TYR HD1 H -6.402 13.629 7.933 1.00 . A A . 19 TYR HD1 1 1 20 8752 1 1 19 TYR HD2 H -2.536 13.410 6.169 1.00 . A A . 19 TYR HD2 1 1 20 8753 1 1 19 TYR HE1 H -7.069 11.585 6.738 1.00 . A A . 19 TYR HE1 1 1 20 8754 1 1 19 TYR HE2 H -3.193 11.367 4.968 1.00 . A A . 19 TYR HE2 1 1 20 8755 1 1 19 TYR HH H -5.047 9.462 5.458 1.00 . A A . 19 TYR HH 1 1 20 8756 1 1 19 TYR N N -4.534 16.265 9.855 1.00 . A A . 19 TYR N 1 1 20 8757 1 1 19 TYR O O -2.763 14.674 11.124 1.00 . A A . 19 TYR O 1 1 20 8758 1 1 19 TYR OH O -5.541 10.209 5.111 1.00 . A A . 19 TYR OH 1 1 20 8759 1 1 20 LEU C C -0.694 12.912 10.573 1.00 . A A . 20 LEU C 1 1 20 8760 1 1 20 LEU CA C -1.983 12.124 10.367 1.00 . A A . 20 LEU CA 1 1 20 8761 1 1 20 LEU CB C -1.700 10.866 9.545 1.00 . A A . 20 LEU CB 1 1 20 8762 1 1 20 LEU CD1 C 0.155 11.431 7.957 1.00 . A A . 20 LEU CD1 1 1 20 8763 1 1 20 LEU CD2 C -1.662 9.865 7.247 1.00 . A A . 20 LEU CD2 1 1 20 8764 1 1 20 LEU CG C -1.322 11.092 8.081 1.00 . A A . 20 LEU CG 1 1 20 8765 1 1 20 LEU H H -3.457 12.586 8.920 1.00 . A A . 20 LEU H 1 1 20 8766 1 1 20 LEU HA H -2.372 11.834 11.332 1.00 . A A . 20 LEU HA 1 1 20 8767 1 1 20 LEU HB2 H -0.887 10.338 10.018 1.00 . A A . 20 LEU HB2 1 1 20 8768 1 1 20 LEU HB3 H -2.588 10.250 9.567 1.00 . A A . 20 LEU HB3 1 1 20 8769 1 1 20 LEU HD11 H 0.742 10.662 8.436 1.00 . A A . 20 LEU HD11 1 1 20 8770 1 1 20 LEU HD12 H 0.348 12.380 8.434 1.00 . A A . 20 LEU HD12 1 1 20 8771 1 1 20 LEU HD13 H 0.424 11.492 6.912 1.00 . A A . 20 LEU HD13 1 1 20 8772 1 1 20 LEU HD21 H -1.477 10.076 6.204 1.00 . A A . 20 LEU HD21 1 1 20 8773 1 1 20 LEU HD22 H -2.703 9.613 7.384 1.00 . A A . 20 LEU HD22 1 1 20 8774 1 1 20 LEU HD23 H -1.046 9.034 7.561 1.00 . A A . 20 LEU HD23 1 1 20 8775 1 1 20 LEU HG H -1.889 11.927 7.694 1.00 . A A . 20 LEU HG 1 1 20 8776 1 1 20 LEU N N -2.994 12.943 9.706 1.00 . A A . 20 LEU N 1 1 20 8777 1 1 20 LEU O O -0.502 13.975 9.981 1.00 . A A . 20 LEU O 1 1 20 8778 1 1 21 CYS C C 2.507 12.666 10.647 1.00 . A A . 21 CYS C 1 1 20 8779 1 1 21 CYS CA C 1.462 13.035 11.697 1.00 . A A . 21 CYS CA 1 1 20 8780 1 1 21 CYS CB C 1.961 12.643 13.089 1.00 . A A . 21 CYS CB 1 1 20 8781 1 1 21 CYS H H -0.021 11.533 11.855 1.00 . A A . 21 CYS H 1 1 20 8782 1 1 21 CYS HA H 1.302 14.102 11.668 1.00 . A A . 21 CYS HA 1 1 20 8783 1 1 21 CYS HB2 H 1.296 11.901 13.505 1.00 . A A . 21 CYS HB2 1 1 20 8784 1 1 21 CYS HB3 H 2.952 12.223 13.003 1.00 . A A . 21 CYS HB3 1 1 20 8785 1 1 21 CYS N N 0.189 12.383 11.414 1.00 . A A . 21 CYS N 1 1 20 8786 1 1 21 CYS O O 2.181 12.079 9.615 1.00 . A A . 21 CYS O 1 1 20 8787 1 1 21 CYS SG S 2.046 14.031 14.266 1.00 . A A . 21 CYS SG 1 1 20 8788 1 1 22 . C C 4.551 13.287 8.624 1.00 . A A . 22 DBB C 1 1 20 8789 1 1 22 . CA C 4.846 12.730 10.004 1.00 . A A . 22 DBB CA 1 1 20 8790 1 1 22 . CB C 6.171 13.324 10.527 1.00 . A A . 22 DBB CB 1 1 20 8791 1 1 22 . CG C 6.230 13.129 12.042 1.00 . A A . 22 DBB CG 1 1 20 8792 1 1 22 . H H 3.947 13.482 11.766 1.00 . A A . 22 DBB H 1 1 20 8793 1 1 22 . HA H 4.958 11.659 9.933 1.00 . A A . 22 DBB HA 1 1 20 8794 1 1 22 . HB3 H 6.141 14.389 10.327 1.00 . A A . 22 DBB HB3 1 1 20 8795 1 1 22 . HG1 H 6.105 14.082 12.530 1.00 . A A . 22 DBB HG1 1 1 20 8796 1 1 22 . HG2 H 7.184 12.705 12.314 1.00 . A A . 22 DBB HG2 1 1 20 8797 1 1 22 . HG3 H 5.436 12.462 12.344 1.00 . A A . 22 DBB HG3 1 1 20 8798 1 1 22 . N N 3.754 13.013 10.919 1.00 . A A . 22 DBB N 1 1 20 8799 1 1 22 . O O 4.364 12.534 7.668 1.00 . A A . 22 DBB O 1 1 20 8800 1 1 23 VAL C C 4.954 16.583 7.127 1.00 . A A . 23 VAL C 1 1 20 8801 1 1 23 VAL CA C 4.193 15.269 7.256 1.00 . A A . 23 VAL CA 1 1 20 8802 1 1 23 VAL CB C 2.685 15.545 7.106 1.00 . A A . 23 VAL CB 1 1 20 8803 1 1 23 VAL CG1 C 2.344 15.878 5.661 1.00 . A A . 23 VAL CG1 1 1 20 8804 1 1 23 VAL CG2 C 1.874 14.354 7.593 1.00 . A A . 23 VAL CG2 1 1 20 8805 1 1 23 VAL H H 4.647 15.159 9.320 1.00 . A A . 23 VAL H 1 1 20 8806 1 1 23 VAL HA H 4.497 14.608 6.457 1.00 . A A . 23 VAL HA 1 1 20 8807 1 1 23 VAL HB H 2.434 16.400 7.717 1.00 . A A . 23 VAL HB 1 1 20 8808 1 1 23 VAL HG11 H 2.347 16.950 5.528 1.00 . A A . 23 VAL HG11 1 1 20 8809 1 1 23 VAL HG12 H 3.076 15.430 5.006 1.00 . A A . 23 VAL HG12 1 1 20 8810 1 1 23 VAL HG13 H 1.364 15.490 5.425 1.00 . A A . 23 VAL HG13 1 1 20 8811 1 1 23 VAL HG21 H 0.883 14.393 7.166 1.00 . A A . 23 VAL HG21 1 1 20 8812 1 1 23 VAL HG22 H 2.362 13.440 7.291 1.00 . A A . 23 VAL HG22 1 1 20 8813 1 1 23 VAL HG23 H 1.802 14.384 8.671 1.00 . A A . 23 VAL HG23 1 1 20 8814 1 1 23 VAL N N 4.489 14.611 8.523 1.00 . A A . 23 VAL N 1 1 20 8815 1 1 23 VAL O O 5.155 17.293 8.114 1.00 . A A . 23 VAL O 1 1 20 8816 1 1 24 . C C 7.558 17.979 6.105 1.00 . A A . 24 DBB C 1 1 20 8817 1 1 24 . CA C 6.118 18.118 5.650 1.00 . A A . 24 DBB CA 1 1 20 8818 1 1 24 . CB C 6.082 18.473 4.149 1.00 . A A . 24 DBB CB 1 1 20 8819 1 1 24 . CG C 4.774 17.951 3.553 1.00 . A A . 24 DBB CG 1 1 20 8820 1 1 24 . H H 5.178 16.285 5.165 1.00 . A A . 24 DBB H 1 1 20 8821 1 1 24 . HA H 5.653 18.922 6.201 1.00 . A A . 24 DBB HA 1 1 20 8822 1 1 24 . HB3 H 6.900 17.940 3.678 1.00 . A A . 24 DBB HB3 1 1 20 8823 1 1 24 . HG1 H 4.902 16.922 3.257 1.00 . A A . 24 DBB HG1 1 1 20 8824 1 1 24 . HG2 H 4.507 18.546 2.694 1.00 . A A . 24 DBB HG2 1 1 20 8825 1 1 24 . HG3 H 3.995 18.017 4.299 1.00 . A A . 24 DBB HG3 1 1 20 8826 1 1 24 . N N 5.373 16.898 5.913 1.00 . A A . 24 DBB N 1 1 20 8827 1 1 24 . O O 7.945 16.953 6.666 1.00 . A A . 24 DBB O 1 1 20 8828 1 1 25 LYS C C 10.016 18.041 7.384 1.00 . A A . 25 LYS C 1 1 20 8829 1 1 25 LYS CA C 9.771 18.987 6.213 1.00 . A A . 25 LYS CA 1 1 20 8830 1 1 25 LYS CB C 10.243 20.397 6.576 1.00 . A A . 25 LYS CB 1 1 20 8831 1 1 25 LYS CD C 11.083 22.464 5.422 1.00 . A A . 25 LYS CD 1 1 20 8832 1 1 25 LYS CE C 12.157 23.248 6.161 1.00 . A A . 25 LYS CE 1 1 20 8833 1 1 25 LYS CG C 11.262 20.967 5.604 1.00 . A A . 25 LYS CG 1 1 20 8834 1 1 25 LYS H H 7.994 19.796 5.395 1.00 . A A . 25 LYS H 1 1 20 8835 1 1 25 LYS HA H 10.332 18.638 5.360 1.00 . A A . 25 LYS HA 1 1 20 8836 1 1 25 LYS HB2 H 9.388 21.056 6.595 1.00 . A A . 25 LYS HB2 1 1 20 8837 1 1 25 LYS HB3 H 10.690 20.372 7.559 1.00 . A A . 25 LYS HB3 1 1 20 8838 1 1 25 LYS HD2 H 11.141 22.700 4.370 1.00 . A A . 25 LYS HD2 1 1 20 8839 1 1 25 LYS HD3 H 10.113 22.751 5.804 1.00 . A A . 25 LYS HD3 1 1 20 8840 1 1 25 LYS HE2 H 13.123 22.850 5.893 1.00 . A A . 25 LYS HE2 1 1 20 8841 1 1 25 LYS HE3 H 12.099 24.284 5.861 1.00 . A A . 25 LYS HE3 1 1 20 8842 1 1 25 LYS HG2 H 12.255 20.777 5.984 1.00 . A A . 25 LYS HG2 1 1 20 8843 1 1 25 LYS HG3 H 11.143 20.480 4.646 1.00 . A A . 25 LYS HG3 1 1 20 8844 1 1 25 LYS HZ1 H 12.785 22.639 8.058 1.00 . A A . 25 LYS HZ1 1 1 20 8845 1 1 25 LYS HZ2 H 11.104 22.665 7.869 1.00 . A A . 25 LYS HZ2 1 1 20 8846 1 1 25 LYS HZ3 H 11.957 24.114 8.051 1.00 . A A . 25 LYS HZ3 1 1 20 8847 1 1 25 LYS N N 8.360 19.006 5.845 1.00 . A A . 25 LYS N 1 1 20 8848 1 1 25 LYS NZ N 11.990 23.161 7.638 1.00 . A A . 25 LYS NZ 1 1 20 8849 1 1 25 LYS O O 11.055 17.386 7.457 1.00 . A A . 25 LYS O 1 1 20 8850 1 1 26 GLU C C 9.552 15.689 9.052 1.00 . A A . 26 GLU C 1 1 20 8851 1 1 26 GLU CA C 9.164 17.107 9.463 1.00 . A A . 26 GLU CA 1 1 20 8852 1 1 26 GLU CB C 7.844 17.082 10.237 1.00 . A A . 26 GLU CB 1 1 20 8853 1 1 26 GLU CD C 6.554 18.740 11.640 1.00 . A A . 26 GLU CD 1 1 20 8854 1 1 26 GLU CG C 7.136 18.426 10.275 1.00 . A A . 26 GLU CG 1 1 20 8855 1 1 26 GLU H H 8.247 18.521 8.183 1.00 . A A . 26 GLU H 1 1 20 8856 1 1 26 GLU HA H 9.937 17.507 10.101 1.00 . A A . 26 GLU HA 1 1 20 8857 1 1 26 GLU HB2 H 7.184 16.362 9.776 1.00 . A A . 26 GLU HB2 1 1 20 8858 1 1 26 GLU HB3 H 8.043 16.775 11.253 1.00 . A A . 26 GLU HB3 1 1 20 8859 1 1 26 GLU HG2 H 7.843 19.199 10.015 1.00 . A A . 26 GLU HG2 1 1 20 8860 1 1 26 GLU HG3 H 6.334 18.416 9.552 1.00 . A A . 26 GLU HG3 1 1 20 8861 1 1 26 GLU N N 9.052 17.974 8.297 1.00 . A A . 26 GLU N 1 1 20 8862 1 1 26 GLU O O 10.472 15.096 9.616 1.00 . A A . 26 GLU O 1 1 20 8863 1 1 26 GLU OE1 O 7.088 18.225 12.644 1.00 . A A . 26 GLU OE1 1 1 20 8864 1 1 26 GLU OE2 O 5.566 19.501 11.703 1.00 . A A . 26 GLU OE2 1 1 20 8865 1 1 27 CYS C C 9.359 13.809 6.072 1.00 . A A . 27 CYS C 1 1 20 8866 1 1 27 CYS CA C 9.110 13.803 7.578 1.00 . A A . 27 CYS CA 1 1 20 8867 1 1 27 CYS CB C 7.938 12.877 7.908 1.00 . A A . 27 CYS CB 1 1 20 8868 1 1 27 CYS H H 8.121 15.673 7.654 1.00 . A A . 27 CYS H 1 1 20 8869 1 1 27 CYS HA H 9.996 13.440 8.075 1.00 . A A . 27 CYS HA 1 1 20 8870 1 1 27 CYS HB2 H 7.035 13.283 7.476 1.00 . A A . 27 CYS HB2 1 1 20 8871 1 1 27 CYS HB3 H 8.128 11.903 7.482 1.00 . A A . 27 CYS HB3 1 1 20 8872 1 1 27 CYS N N 8.843 15.151 8.065 1.00 . A A . 27 CYS N 1 1 20 8873 1 1 27 CYS O O 9.840 12.826 5.509 1.00 . A A . 27 CYS O 1 1 20 8874 1 1 27 CYS SG S 7.646 12.656 9.693 1.00 . A A . 27 CYS SG 1 1 20 8875 1 1 28 MET C C 9.983 16.335 3.657 1.00 . A A . 28 MET C 1 1 20 8876 1 1 28 MET CA C 9.218 15.058 3.988 1.00 . A A . 28 MET CA 1 1 20 8877 1 1 28 MET CB C 7.866 15.058 3.272 1.00 . A A . 28 MET CB 1 1 20 8878 1 1 28 MET CE C 5.484 12.418 2.361 1.00 . A A . 28 MET CE 1 1 20 8879 1 1 28 MET CG C 6.802 14.238 3.983 1.00 . A A . 28 MET CG 1 1 20 8880 1 1 28 MET H H 8.650 15.674 5.931 1.00 . A A . 28 MET H 1 1 20 8881 1 1 28 MET HA H 9.794 14.210 3.649 1.00 . A A . 28 MET HA 1 1 20 8882 1 1 28 MET HB2 H 7.514 16.076 3.195 1.00 . A A . 28 MET HB2 1 1 20 8883 1 1 28 MET HB3 H 7.997 14.655 2.279 1.00 . A A . 28 MET HB3 1 1 20 8884 1 1 28 MET HE1 H 4.512 12.006 2.131 1.00 . A A . 28 MET HE1 1 1 20 8885 1 1 28 MET HE2 H 6.081 12.453 1.462 1.00 . A A . 28 MET HE2 1 1 20 8886 1 1 28 MET HE3 H 5.974 11.797 3.095 1.00 . A A . 28 MET HE3 1 1 20 8887 1 1 28 MET HG2 H 7.196 13.252 4.177 1.00 . A A . 28 MET HG2 1 1 20 8888 1 1 28 MET HG3 H 6.563 14.719 4.920 1.00 . A A . 28 MET HG3 1 1 20 8889 1 1 28 MET N N 9.029 14.923 5.427 1.00 . A A . 28 MET N 1 1 20 8890 1 1 28 MET O O 9.499 17.448 3.866 1.00 . A A . 28 MET O 1 1 20 8891 1 1 28 MET SD S 5.289 14.074 3.014 1.00 . A A . 28 MET SD 1 1 20 8892 1 1 29 PRO C C 11.530 18.062 1.545 1.00 . A A . 29 PRO C 1 1 20 8893 1 1 29 PRO CA C 12.062 17.305 2.757 1.00 . A A . 29 PRO CA 1 1 20 8894 1 1 29 PRO CB C 13.401 16.642 2.428 1.00 . A A . 29 PRO CB 1 1 20 8895 1 1 29 PRO CD C 11.845 14.878 2.852 1.00 . A A . 29 PRO CD 1 1 20 8896 1 1 29 PRO CG C 13.047 15.251 2.030 1.00 . A A . 29 PRO CG 1 1 20 8897 1 1 29 PRO HA H 12.191 17.992 3.581 1.00 . A A . 29 PRO HA 1 1 20 8898 1 1 29 PRO HB2 H 13.881 17.175 1.619 1.00 . A A . 29 PRO HB2 1 1 20 8899 1 1 29 PRO HB3 H 14.037 16.653 3.301 1.00 . A A . 29 PRO HB3 1 1 20 8900 1 1 29 PRO HD2 H 11.186 14.235 2.287 1.00 . A A . 29 PRO HD2 1 1 20 8901 1 1 29 PRO HD3 H 12.149 14.396 3.769 1.00 . A A . 29 PRO HD3 1 1 20 8902 1 1 29 PRO HG2 H 12.807 15.220 0.978 1.00 . A A . 29 PRO HG2 1 1 20 8903 1 1 29 PRO HG3 H 13.870 14.586 2.248 1.00 . A A . 29 PRO HG3 1 1 20 8904 1 1 29 PRO N N 11.205 16.175 3.128 1.00 . A A . 29 PRO N 1 1 20 8905 1 1 29 PRO O O 11.983 19.166 1.243 1.00 . A A . 29 PRO O 1 1 20 8906 1 1 30 SER C C 8.955 19.143 0.067 1.00 . A A . 30 SER C 1 1 20 8907 1 1 30 SER CA C 9.975 18.078 -0.328 1.00 . A A . 30 SER CA 1 1 20 8908 1 1 30 SER CB C 9.307 17.016 -1.203 1.00 . A A . 30 SER CB 1 1 20 8909 1 1 30 SER H H 10.247 16.582 1.145 1.00 . A A . 30 SER H 1 1 20 8910 1 1 30 SER HA H 10.769 18.548 -0.889 1.00 . A A . 30 SER HA 1 1 20 8911 1 1 30 SER HB2 H 9.867 16.096 -1.138 1.00 . A A . 30 SER HB2 1 1 20 8912 1 1 30 SER HB3 H 8.298 16.849 -0.854 1.00 . A A . 30 SER HB3 1 1 20 8913 1 1 30 SER HG H 8.378 17.747 -2.766 1.00 . A A . 30 SER HG 1 1 20 8914 1 1 30 SER N N 10.566 17.462 0.854 1.00 . A A . 30 SER N 1 1 20 8915 1 1 30 SER O O 8.005 19.412 -0.668 1.00 . A A . 30 SER O 1 1 20 8916 1 1 30 SER OG O 9.260 17.428 -2.558 1.00 . A A . 30 SER OG 1 1 20 8917 1 1 31 CYS C C 8.792 22.170 1.392 1.00 . A A . 31 CYS C 1 1 20 8918 1 1 31 CYS CA C 8.260 20.780 1.729 1.00 . A A . 31 CYS CA 1 1 20 8919 1 1 31 CYS CB C 8.078 20.644 3.242 1.00 . A A . 31 CYS CB 1 1 20 8920 1 1 31 CYS H H 9.936 19.487 1.776 1.00 . A A . 31 CYS H 1 1 20 8921 1 1 31 CYS HA H 7.304 20.647 1.247 1.00 . A A . 31 CYS HA 1 1 20 8922 1 1 31 CYS HB2 H 8.708 19.844 3.603 1.00 . A A . 31 CYS HB2 1 1 20 8923 1 1 31 CYS HB3 H 8.372 21.569 3.717 1.00 . A A . 31 CYS HB3 1 1 20 8924 1 1 31 CYS N N 9.160 19.745 1.234 1.00 . A A . 31 CYS N 1 1 20 8925 1 1 31 CYS O O 9.979 22.448 1.559 1.00 . A A . 31 CYS O 1 1 20 8926 1 1 31 CYS SG S 6.369 20.275 3.755 1.00 . A A . 31 CYS SG 1 1 20 8927 1 1 32 ASN C C 7.094 25.346 0.678 1.00 . A A . 32 ASN C 1 1 20 8928 1 1 32 ASN CA C 8.284 24.399 0.557 1.00 . A A . 32 ASN CA 1 1 20 8929 1 1 32 ASN CB C 8.837 24.435 -0.869 1.00 . A A . 32 ASN CB 1 1 20 8930 1 1 32 ASN CG C 8.970 25.849 -1.401 1.00 . A A . 32 ASN CG 1 1 20 8931 1 1 32 ASN H H 6.972 22.757 0.808 1.00 . A A . 32 ASN H 1 1 20 8932 1 1 32 ASN HA H 9.055 24.720 1.241 1.00 . A A . 32 ASN HA 1 1 20 8933 1 1 32 ASN HB2 H 9.813 23.973 -0.882 1.00 . A A . 32 ASN HB2 1 1 20 8934 1 1 32 ASN HB3 H 8.174 23.886 -1.520 1.00 . A A . 32 ASN HB3 1 1 20 8935 1 1 32 ASN HD21 H 10.952 25.733 -1.280 1.00 . A A . 32 ASN HD21 1 1 20 8936 1 1 32 ASN HD22 H 10.321 27.229 -1.873 1.00 . A A . 32 ASN HD22 1 1 20 8937 1 1 32 ASN N N 7.904 23.038 0.918 1.00 . A A . 32 ASN N 1 1 20 8938 1 1 32 ASN ND2 N 10.206 26.318 -1.531 1.00 . A A . 32 ASN ND2 1 1 20 8939 1 1 32 ASN O O 6.196 25.130 1.492 1.00 . A A . 32 ASN O 1 1 20 8940 1 1 32 ASN OD1 O 7.974 26.512 -1.692 1.00 . A A . 32 ASN OD1 1 1 stop_ save_
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