NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
642493 | 6ct1 | 30441 | cing | 4-filtered-FRED | STAR | entry | full | 99 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6ct1 # This FRED archive file contains, for PDB entry <6ct1>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396. save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.PDB_coordinate_file_version . _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_6ct1 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 6ct1 _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 2272.95 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 $PaDBS1R7 A . 1 1 stop_ save_ save_PaDBS1R7 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name PaDBS1R7 _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code PMARNKPKILKRILAKIFK _Entity.Number_of_monomers 19 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 PRO . 1 1 2 MET . 1 1 3 ALA . 1 1 4 ARG . 1 1 5 ASN . 1 1 6 LYS . 1 1 7 PRO . 1 1 8 LYS . 1 1 9 ILE . 1 1 10 LEU . 1 1 11 LYS . 1 1 12 ARG . 1 1 13 ILE . 1 1 14 LEU . 1 1 15 ALA . 1 1 16 LYS . 1 1 17 ILE . 1 1 18 PHE . 1 1 19 LYS . 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 PRO 1 1 1 1 MET 2 2 1 1 ALA 3 3 1 1 ARG 4 4 1 1 ASN 5 5 1 1 LYS 6 6 1 1 PRO 7 7 1 1 LYS 8 8 1 1 ILE 9 9 1 1 LEU 10 10 1 1 LYS 11 11 1 1 ARG 12 12 1 1 ILE 13 13 1 1 LEU 14 14 1 1 ALA 15 15 1 1 LYS 16 16 1 1 ILE 17 17 1 1 PHE 18 18 1 1 LYS 19 19 1 1 stop_ 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 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 2 MET H . 2 MET HN 1 1 1 1 2 1 1 2 MET HA . 2 MET HA 1 1 2 1 1 1 1 2 MET H . 2 MET HN 1 1 2 1 2 1 1 2 MET QB . 2 MET QB 1 1 3 1 1 1 1 2 MET H . 2 MET HN 1 1 3 1 2 1 1 2 MET ME . 2 MET QE 1 1 4 1 1 1 1 2 MET H . 2 MET HN 1 1 4 1 2 1 1 2 MET HG2 . 2 MET HG2 1 1 5 1 1 1 1 2 MET H . 2 MET HN 1 1 5 1 2 1 1 2 MET QG . 2 MET QG 1 1 6 1 1 1 1 2 MET H . 2 MET HN 1 1 6 1 2 1 1 2 MET HG3 . 2 MET HG3 1 1 7 1 1 1 1 3 ALA H . 3 ALA HN 1 1 7 1 2 1 1 3 ALA MB . 3 ALA QB 1 1 8 1 1 1 1 4 ARG H . 4 ARG HN 1 1 8 1 2 1 1 4 ARG HB2 . 4 ARG HB2 1 1 9 1 1 1 1 4 ARG H . 4 ARG HN 1 1 9 1 2 1 1 4 ARG HB3 . 4 ARG HB3 1 1 10 1 1 1 1 4 ARG H . 4 ARG HN 1 1 10 1 2 1 1 4 ARG HD2 . 4 ARG HD2 1 1 11 1 1 1 1 4 ARG H . 4 ARG HN 1 1 11 1 2 1 1 4 ARG QD . 4 ARG QD 1 1 12 1 1 1 1 4 ARG H . 4 ARG HN 1 1 12 1 2 1 1 4 ARG HD3 . 4 ARG HD3 1 1 13 1 1 1 1 4 ARG H . 4 ARG HN 1 1 13 1 2 1 1 4 ARG HG2 . 4 ARG HG2 1 1 14 1 1 1 1 4 ARG H . 4 ARG HN 1 1 14 1 2 1 1 4 ARG QG . 4 ARG QG 1 1 15 1 1 1 1 4 ARG H . 4 ARG HN 1 1 15 1 2 1 1 4 ARG HG3 . 4 ARG HG3 1 1 16 1 1 1 1 4 ARG HA . 4 ARG HA 1 1 16 1 2 1 1 4 ARG HE . 4 ARG HE 1 1 17 1 1 1 1 4 ARG HA . 4 ARG HA 1 1 17 1 2 1 1 5 ASN H . 5 ASN HN 1 1 18 1 1 1 1 4 ARG HB2 . 4 ARG HB2 1 1 18 1 2 1 1 4 ARG HE . 4 ARG HE 1 1 19 1 1 1 1 4 ARG HB2 . 4 ARG HB2 1 1 19 1 2 1 1 5 ASN H . 5 ASN HN 1 1 20 1 1 1 1 4 ARG HB3 . 4 ARG HB3 1 1 20 1 2 1 1 4 ARG HE . 4 ARG HE 1 1 21 1 1 1 1 4 ARG HB3 . 4 ARG HB3 1 1 21 1 2 1 1 5 ASN H . 5 ASN HN 1 1 22 1 1 1 1 4 ARG HE . 4 ARG HE 1 1 22 1 2 1 1 4 ARG QG . 4 ARG QG 1 1 23 1 1 1 1 5 ASN H . 5 ASN HN 1 1 23 1 2 1 1 5 ASN HB2 . 5 ASN HB2 1 1 24 1 1 1 1 5 ASN H . 5 ASN HN 1 1 24 1 2 1 1 5 ASN QB . 5 ASN QB 1 1 25 1 1 1 1 5 ASN H . 5 ASN HN 1 1 25 1 2 1 1 5 ASN HB3 . 5 ASN HB3 1 1 26 1 1 1 1 6 LYS H . 6 LYS HN 1 1 26 1 2 1 1 6 LYS QB . 6 LYS QB 1 1 27 1 1 1 1 6 LYS H . 6 LYS HN 1 1 27 1 2 1 1 6 LYS HD2 . 6 LYS HD2 1 1 28 1 1 1 1 6 LYS H . 6 LYS HN 1 1 28 1 2 1 1 6 LYS QD . 6 LYS QD 1 1 29 1 1 1 1 6 LYS H . 6 LYS HN 1 1 29 1 2 1 1 6 LYS HD3 . 6 LYS HD3 1 1 30 1 1 1 1 6 LYS H . 6 LYS HN 1 1 30 1 2 1 1 6 LYS QE . 6 LYS QE 1 1 31 1 1 1 1 6 LYS H . 6 LYS HN 1 1 31 1 2 1 1 6 LYS HG2 . 6 LYS HG2 1 1 32 1 1 1 1 6 LYS H . 6 LYS HN 1 1 32 1 2 1 1 6 LYS QG . 6 LYS QG 1 1 33 1 1 1 1 6 LYS H . 6 LYS HN 1 1 33 1 2 1 1 6 LYS HG3 . 6 LYS HG3 1 1 34 1 1 1 1 8 LYS H . 8 LYS HN 1 1 34 1 2 1 1 8 LYS QB . 8 LYS QB 1 1 35 1 1 1 1 8 LYS H . 8 LYS HN 1 1 35 1 2 1 1 8 LYS HD2 . 8 LYS HD2 1 1 36 1 1 1 1 8 LYS H . 8 LYS HN 1 1 36 1 2 1 1 8 LYS QD . 8 LYS QD 1 1 37 1 1 1 1 8 LYS H . 8 LYS HN 1 1 37 1 2 1 1 8 LYS HD3 . 8 LYS HD3 1 1 38 1 1 1 1 8 LYS H . 8 LYS HN 1 1 38 1 2 1 1 8 LYS QE . 8 LYS QE 1 1 39 1 1 1 1 8 LYS H . 8 LYS HN 1 1 39 1 2 1 1 8 LYS HG2 . 8 LYS HG2 1 1 40 1 1 1 1 8 LYS H . 8 LYS HN 1 1 40 1 2 1 1 8 LYS QG . 8 LYS QG 1 1 41 1 1 1 1 8 LYS H . 8 LYS HN 1 1 41 1 2 1 1 8 LYS HG3 . 8 LYS HG3 1 1 42 1 1 1 1 8 LYS QB . 8 LYS QB 1 1 42 1 2 1 1 9 ILE H . 9 ILE HN 1 1 43 1 1 1 1 8 LYS QE . 8 LYS QE 1 1 43 1 2 1 1 9 ILE H . 9 ILE HN 1 1 44 1 1 1 1 9 ILE H . 9 ILE HN 1 1 44 1 2 1 1 9 ILE HB . 9 ILE HB 1 1 45 1 1 1 1 9 ILE H . 9 ILE HN 1 1 45 1 2 1 1 9 ILE MD . 9 ILE QD1 1 1 46 1 1 1 1 9 ILE H . 9 ILE HN 1 1 46 1 2 1 1 9 ILE QG . 9 ILE QG1 1 1 47 1 1 1 1 9 ILE H . 9 ILE HN 1 1 47 1 2 1 1 9 ILE MG . 9 ILE QG2 1 1 48 1 1 1 1 9 ILE QG . 9 ILE QG1 1 1 48 1 2 1 1 10 LEU H . 10 LEU HN 1 1 49 1 1 1 1 10 LEU H . 10 LEU HN 1 1 49 1 2 1 1 10 LEU QB . 10 LEU QB 1 1 50 1 1 1 1 10 LEU H . 10 LEU HN 1 1 50 1 2 1 1 10 LEU QD . 10 LEU QQD 1 1 51 1 1 1 1 10 LEU H . 10 LEU HN 1 1 51 1 2 1 1 10 LEU HG . 10 LEU HG 1 1 52 1 1 1 1 11 LYS H . 11 LYS HN 1 1 52 1 2 1 1 11 LYS HD2 . 11 LYS HD2 1 1 53 1 1 1 1 11 LYS H . 11 LYS HN 1 1 53 1 2 1 1 11 LYS HD3 . 11 LYS HD3 1 1 54 1 1 1 1 11 LYS H . 11 LYS HN 1 1 54 1 2 1 1 11 LYS QE . 11 LYS QE 1 1 55 1 1 1 1 11 LYS H . 11 LYS HN 1 1 55 1 2 1 1 11 LYS QG . 11 LYS QG 1 1 56 1 1 1 1 11 LYS QB . 11 LYS QB 1 1 56 1 2 1 1 12 ARG H . 12 ARG HN 1 1 57 1 1 1 1 12 ARG H . 12 ARG HN 1 1 57 1 2 1 1 12 ARG QB . 12 ARG QB 1 1 58 1 1 1 1 12 ARG H . 12 ARG HN 1 1 58 1 2 1 1 12 ARG HD2 . 12 ARG HD2 1 1 59 1 1 1 1 12 ARG H . 12 ARG HN 1 1 59 1 2 1 1 12 ARG HD3 . 12 ARG HD3 1 1 60 1 1 1 1 12 ARG H . 12 ARG HN 1 1 60 1 2 1 1 12 ARG QG . 12 ARG QG 1 1 61 1 1 1 1 12 ARG HA . 12 ARG HA 1 1 61 1 2 1 1 12 ARG HE . 12 ARG HE 1 1 62 1 1 1 1 12 ARG QB . 12 ARG QB 1 1 62 1 2 1 1 12 ARG HE . 12 ARG HE 1 1 63 1 1 1 1 12 ARG QB . 12 ARG QB 1 1 63 1 2 1 1 13 ILE H . 13 ILE HN 1 1 64 1 1 1 1 12 ARG HB2 . 12 ARG HB2 1 1 64 1 2 1 1 12 ARG HE . 12 ARG HE 1 1 65 1 1 1 1 12 ARG HB3 . 12 ARG HB3 1 1 65 1 2 1 1 12 ARG HE . 12 ARG HE 1 1 66 1 1 1 1 13 ILE H . 13 ILE HN 1 1 66 1 2 1 1 13 ILE MD . 13 ILE QD1 1 1 67 1 1 1 1 13 ILE H . 13 ILE HN 1 1 67 1 2 1 1 13 ILE HG12 . 13 ILE HG12 1 1 68 1 1 1 1 13 ILE H . 13 ILE HN 1 1 68 1 2 1 1 13 ILE HG13 . 13 ILE HG13 1 1 69 1 1 1 1 13 ILE H . 13 ILE HN 1 1 69 1 2 1 1 13 ILE MG . 13 ILE QG2 1 1 70 1 1 1 1 13 ILE MD . 13 ILE QD1 1 1 70 1 2 1 1 14 LEU H . 14 LEU HN 1 1 71 1 1 1 1 14 LEU H . 14 LEU HN 1 1 71 1 2 1 1 14 LEU HG . 14 LEU HG 1 1 72 1 1 1 1 15 ALA H . 15 ALA HN 1 1 72 1 2 1 1 15 ALA MB . 15 ALA QB 1 1 73 1 1 1 1 16 LYS H . 16 LYS HN 1 1 73 1 2 1 1 16 LYS HB2 . 16 LYS HB2 1 1 74 1 1 1 1 16 LYS H . 16 LYS HN 1 1 74 1 2 1 1 16 LYS HB3 . 16 LYS HB3 1 1 75 1 1 1 1 16 LYS H . 16 LYS HN 1 1 75 1 2 1 1 16 LYS QD . 16 LYS QD 1 1 76 1 1 1 1 16 LYS H . 16 LYS HN 1 1 76 1 2 1 1 16 LYS HE2 . 16 LYS HE2 1 1 77 1 1 1 1 16 LYS H . 16 LYS HN 1 1 77 1 2 1 1 16 LYS QE . 16 LYS QE 1 1 78 1 1 1 1 16 LYS H . 16 LYS HN 1 1 78 1 2 1 1 16 LYS HE3 . 16 LYS HE3 1 1 79 1 1 1 1 16 LYS H . 16 LYS HN 1 1 79 1 2 1 1 16 LYS HG2 . 16 LYS HG2 1 1 80 1 1 1 1 16 LYS H . 16 LYS HN 1 1 80 1 2 1 1 16 LYS QG . 16 LYS QG 1 1 81 1 1 1 1 16 LYS H . 16 LYS HN 1 1 81 1 2 1 1 16 LYS HG3 . 16 LYS HG3 1 1 82 1 1 1 1 17 ILE H . 17 ILE HN 1 1 82 1 2 1 1 17 ILE HB . 17 ILE HB 1 1 83 1 1 1 1 17 ILE H . 17 ILE HN 1 1 83 1 2 1 1 17 ILE MD . 17 ILE QD1 1 1 84 1 1 1 1 17 ILE H . 17 ILE HN 1 1 84 1 2 1 1 17 ILE QG . 17 ILE QG1 1 1 85 1 1 1 1 17 ILE H . 17 ILE HN 1 1 85 1 2 1 1 17 ILE MG . 17 ILE QG2 1 1 86 1 1 1 1 18 PHE H . 18 PHE HN 1 1 86 1 2 1 1 18 PHE HB2 . 18 PHE HB2 1 1 87 1 1 1 1 18 PHE H . 18 PHE HN 1 1 87 1 2 1 1 18 PHE QB . 18 PHE QB 1 1 88 1 1 1 1 18 PHE H . 18 PHE HN 1 1 88 1 2 1 1 18 PHE HB3 . 18 PHE HB3 1 1 89 1 1 1 1 19 LYS H . 19 LYS HN 1 1 89 1 2 1 1 19 LYS HA . 19 LYS HA 1 1 90 1 1 1 1 19 LYS H . 19 LYS HN 1 1 90 1 2 1 1 19 LYS QB . 19 LYS QB 1 1 91 1 1 1 1 19 LYS H . 19 LYS HN 1 1 91 1 2 1 1 19 LYS HD2 . 19 LYS HD2 1 1 92 1 1 1 1 19 LYS H . 19 LYS HN 1 1 92 1 2 1 1 19 LYS QD . 19 LYS QD 1 1 93 1 1 1 1 19 LYS H . 19 LYS HN 1 1 93 1 2 1 1 19 LYS HD3 . 19 LYS HD3 1 1 94 1 1 1 1 19 LYS H . 19 LYS HN 1 1 94 1 2 1 1 19 LYS HE2 . 19 LYS HE2 1 1 95 1 1 1 1 19 LYS H . 19 LYS HN 1 1 95 1 2 1 1 19 LYS QE . 19 LYS QE 1 1 96 1 1 1 1 19 LYS H . 19 LYS HN 1 1 96 1 2 1 1 19 LYS HE3 . 19 LYS HE3 1 1 97 1 1 1 1 19 LYS H . 19 LYS HN 1 1 97 1 2 1 1 19 LYS HG2 . 19 LYS HG2 1 1 98 1 1 1 1 19 LYS H . 19 LYS HN 1 1 98 1 2 1 1 19 LYS QG . 19 LYS QG 1 1 99 1 1 1 1 19 LYS H . 19 LYS HN 1 1 99 1 2 1 1 19 LYS HG3 . 19 LYS HG3 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . . . 2.93 1 1 2 1 . . . . . . . 3.25 1 1 3 1 . . . . . . . 4.72 1 1 4 1 . . . . . . . 3.81 1 1 5 1 . . . . . . . 3.25 1 1 6 1 . . . . . . . 3.81 1 1 7 1 . . . . . . . 2.67 1 1 8 1 . . . . . . . 4.01 1 1 9 1 . . . . . . . 4.01 1 1 10 1 . . . . . . . 4.89 1 1 11 1 . . . . . . . 4.19 1 1 12 1 . . . . . . . 4.89 1 1 13 1 . . . . . . . 4.24 1 1 14 1 . . . . . . . 3.36 1 1 15 1 . . . . . . . 4.24 1 1 16 1 . . . . . . . 4.19 1 1 17 1 . . . . . . . 3.41 1 1 18 1 . . . . . . . 3.66 1 1 19 1 . . . . . . . 4.3 1 1 20 1 . . . . . . . 3.66 1 1 21 1 . . . . . . . 4.3 1 1 22 1 . . . . . . . 3.62 1 1 23 1 . . . . . . . 3.22 1 1 24 1 . . . . . . . 2.79 1 1 25 1 . . . . . . . 3.22 1 1 26 1 . . . . . . . 3.31 1 1 27 1 . . . . . . . 4.67 1 1 28 1 . . . . . . . 4.03 1 1 29 1 . . . . . . . 4.67 1 1 30 1 . . . . . . . 5.34 1 1 31 1 . . . . . . . 4.56 1 1 32 1 . . . . . . . 4.01 1 1 33 1 . . . . . . . 4.56 1 1 34 1 . . . . . . . 3.66 1 1 35 1 . . . . . . . 5.5 1 1 36 1 . . . . . . . 4.7 1 1 37 1 . . . . . . . 5.5 1 1 38 1 . . . . . . . 5.34 1 1 39 1 . . . . . . . 4.66 1 1 40 1 . . . . . . . 4.02 1 1 41 1 . . . . . . . 4.66 1 1 42 1 . . . . . . . 4.11 1 1 43 1 . . . . . . . 5.34 1 1 44 1 . . . . . . . 3.72 1 1 45 1 . . . . . . . 4.06 1 1 46 1 . . . . . . . 4.11 1 1 47 1 . . . . . . . 4.02 1 1 48 1 . . . . . . . 5.34 1 1 49 1 . . . . . . . 3.43 1 1 50 1 . . . . . . . 4.66 1 1 51 1 . . . . . . . 4.47 1 1 52 1 . . . . . . . 5.5 1 1 53 1 . . . . . . . 5.5 1 1 54 1 . . . . . . . 5.34 1 1 55 1 . . . . . . . 4.38 1 1 56 1 . . . . . . . 4.39 1 1 57 1 . . . . . . . 3.45 1 1 58 1 . . . . . . . 4.94 1 1 59 1 . . . . . . . 4.94 1 1 60 1 . . . . . . . 3.76 1 1 61 1 . . . . . . . 4.26 1 1 62 1 . . . . . . . 3.28 1 1 63 1 . . . . . . . 4.15 1 1 64 1 . . . . . . . 3.74 1 1 65 1 . . . . . . . 3.74 1 1 66 1 . . . . . . . 5.06 1 1 67 1 . . . . . . . 5.5 1 1 68 1 . . . . . . . 5.5 1 1 69 1 . . . . . . . 4.15 1 1 70 1 . . . . . . . 5.5 1 1 71 1 . . . . . . . 4.61 1 1 72 1 . . . . . . . 3.1 1 1 73 1 . . . . . . . 3.94 1 1 74 1 . . . . . . . 3.94 1 1 75 1 . . . . . . . 4.09 1 1 76 1 . . . . . . . 5.5 1 1 77 1 . . . . . . . 4.65 1 1 78 1 . . . . . . . 5.5 1 1 79 1 . . . . . . . 4.69 1 1 80 1 . . . . . . . 3.89 1 1 81 1 . . . . . . . 4.69 1 1 82 1 . . . . . . . 3.88 1 1 83 1 . . . . . . . 4.96 1 1 84 1 . . . . . . . 3.49 1 1 85 1 . . . . . . . 3.79 1 1 86 1 . . . . . . . 3.34 1 1 87 1 . . . . . . . 2.86 1 1 88 1 . . . . . . . 3.34 1 1 89 1 . . . . . . . 2.88 1 1 90 1 . . . . . . . 2.95 1 1 91 1 . . . . . . . 4.06 1 1 92 1 . . . . . . . 3.48 1 1 93 1 . . . . . . . 4.06 1 1 94 1 . . . . . . . 5.27 1 1 95 1 . . . . . . . 4.55 1 1 96 1 . . . . . . . 5.27 1 1 97 1 . . . . . . . 3.86 1 1 98 1 . . . . . . . 3.14 1 1 99 1 . . . . . . . 3.86 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 PRO C C -14.162 0.797 -3.697 1.00 . A A . 1 PRO C 1 1 1 2 1 1 1 PRO CA C -15.108 1.173 -4.818 1.00 . A A . 1 PRO CA 1 1 1 3 1 1 1 PRO CB C -15.941 2.381 -4.410 1.00 . A A . 1 PRO CB 1 1 1 4 1 1 1 PRO CD C -17.432 0.543 -4.917 1.00 . A A . 1 PRO CD 1 1 1 5 1 1 1 PRO CG C -17.288 1.803 -4.086 1.00 . A A . 1 PRO CG 1 1 1 6 1 1 1 PRO H2 H -15.409 -0.768 -5.299 1.00 . A A . 1 PRO H2 1 1 1 7 1 1 1 PRO H3 H -16.540 0.187 -5.969 1.00 . A A . 1 PRO H3 1 1 1 8 1 1 1 PRO HA H -14.541 1.416 -5.702 1.00 . A A . 1 PRO HA 1 1 1 9 1 1 1 PRO HB2 H -15.489 2.854 -3.551 1.00 . A A . 1 PRO HB2 1 1 1 10 1 1 1 PRO HB3 H -16.001 3.082 -5.229 1.00 . A A . 1 PRO HB3 1 1 1 11 1 1 1 PRO HD2 H -18.091 -0.150 -4.407 1.00 . A A . 1 PRO HD2 1 1 1 12 1 1 1 PRO HD3 H -17.908 0.819 -5.848 1.00 . A A . 1 PRO HD3 1 1 1 13 1 1 1 PRO HG2 H -17.336 1.555 -3.036 1.00 . A A . 1 PRO HG2 1 1 1 14 1 1 1 PRO HG3 H -18.065 2.509 -4.340 1.00 . A A . 1 PRO HG3 1 1 1 15 1 1 1 PRO N N -16.000 0.063 -5.093 1.00 . A A . 1 PRO N 1 1 1 16 1 1 1 PRO O O -14.583 0.229 -2.696 1.00 . A A . 1 PRO O 1 1 1 17 1 1 2 MET C C -11.980 1.718 -1.677 1.00 . A A . 2 MET C 1 1 1 18 1 1 2 MET CA C -11.894 0.766 -2.857 1.00 . A A . 2 MET CA 1 1 1 19 1 1 2 MET CB C -10.480 0.792 -3.453 1.00 . A A . 2 MET CB 1 1 1 20 1 1 2 MET CE C -9.929 -2.877 -5.381 1.00 . A A . 2 MET CE 1 1 1 21 1 1 2 MET CG C -10.215 -0.258 -4.523 1.00 . A A . 2 MET CG 1 1 1 22 1 1 2 MET H H -12.601 1.603 -4.656 1.00 . A A . 2 MET H 1 1 1 23 1 1 2 MET HA H -12.108 -0.235 -2.512 1.00 . A A . 2 MET HA 1 1 1 24 1 1 2 MET HB2 H -10.309 1.764 -3.891 1.00 . A A . 2 MET HB2 1 1 1 25 1 1 2 MET HB3 H -9.769 0.646 -2.652 1.00 . A A . 2 MET HB3 1 1 1 26 1 1 2 MET HE1 H -8.916 -2.622 -5.657 1.00 . A A . 2 MET HE1 1 1 1 27 1 1 2 MET HE2 H -10.596 -2.629 -6.193 1.00 . A A . 2 MET HE2 1 1 1 28 1 1 2 MET HE3 H -9.990 -3.936 -5.176 1.00 . A A . 2 MET HE3 1 1 1 29 1 1 2 MET HG2 H -10.918 -0.108 -5.329 1.00 . A A . 2 MET HG2 1 1 1 30 1 1 2 MET HG3 H -9.210 -0.130 -4.896 1.00 . A A . 2 MET HG3 1 1 1 31 1 1 2 MET N N -12.892 1.106 -3.859 1.00 . A A . 2 MET N 1 1 1 32 1 1 2 MET O O -11.731 2.915 -1.817 1.00 . A A . 2 MET O 1 1 1 33 1 1 2 MET SD S -10.401 -1.955 -3.915 1.00 . A A . 2 MET SD 1 1 1 34 1 1 3 ALA C C -11.798 1.301 1.820 1.00 . A A . 3 ALA C 1 1 1 35 1 1 3 ALA CA C -12.475 2.007 0.666 1.00 . A A . 3 ALA CA 1 1 1 36 1 1 3 ALA CB C -13.935 2.286 0.989 1.00 . A A . 3 ALA CB 1 1 1 37 1 1 3 ALA H H -12.554 0.241 -0.517 1.00 . A A . 3 ALA H 1 1 1 38 1 1 3 ALA HA H -11.971 2.946 0.486 1.00 . A A . 3 ALA HA 1 1 1 39 1 1 3 ALA HB1 H -14.402 2.786 0.154 1.00 . A A . 3 ALA HB1 1 1 1 40 1 1 3 ALA HB2 H -13.994 2.914 1.866 1.00 . A A . 3 ALA HB2 1 1 1 41 1 1 3 ALA HB3 H -14.443 1.353 1.182 1.00 . A A . 3 ALA HB3 1 1 1 42 1 1 3 ALA N N -12.359 1.203 -0.540 1.00 . A A . 3 ALA N 1 1 1 43 1 1 3 ALA O O -10.996 1.900 2.550 1.00 . A A . 3 ALA O 1 1 1 44 1 1 4 ARG C C -10.099 -1.165 2.607 1.00 . A A . 4 ARG C 1 1 1 45 1 1 4 ARG CA C -11.527 -0.831 3.002 1.00 . A A . 4 ARG CA 1 1 1 46 1 1 4 ARG CB C -12.355 -2.114 3.154 1.00 . A A . 4 ARG CB 1 1 1 47 1 1 4 ARG CD C -14.619 -3.156 3.573 1.00 . A A . 4 ARG CD 1 1 1 48 1 1 4 ARG CG C -13.805 -1.869 3.559 1.00 . A A . 4 ARG CG 1 1 1 49 1 1 4 ARG CZ C -14.602 -5.370 4.730 1.00 . A A . 4 ARG CZ 1 1 1 50 1 1 4 ARG H H -12.751 -0.386 1.341 1.00 . A A . 4 ARG H 1 1 1 51 1 1 4 ARG HA H -11.524 -0.284 3.932 1.00 . A A . 4 ARG HA 1 1 1 52 1 1 4 ARG HB2 H -12.351 -2.647 2.215 1.00 . A A . 4 ARG HB2 1 1 1 53 1 1 4 ARG HB3 H -11.895 -2.736 3.908 1.00 . A A . 4 ARG HB3 1 1 1 54 1 1 4 ARG HD2 H -15.626 -2.920 3.882 1.00 . A A . 4 ARG HD2 1 1 1 55 1 1 4 ARG HD3 H -14.637 -3.569 2.575 1.00 . A A . 4 ARG HD3 1 1 1 56 1 1 4 ARG HE H -13.235 -3.890 4.943 1.00 . A A . 4 ARG HE 1 1 1 57 1 1 4 ARG HG2 H -13.821 -1.439 4.550 1.00 . A A . 4 ARG HG2 1 1 1 58 1 1 4 ARG HG3 H -14.249 -1.176 2.860 1.00 . A A . 4 ARG HG3 1 1 1 59 1 1 4 ARG HH11 H -16.291 -5.086 3.596 1.00 . A A . 4 ARG HH11 1 1 1 60 1 1 4 ARG HH12 H -16.188 -6.613 4.330 1.00 . A A . 4 ARG HH12 1 1 1 61 1 1 4 ARG HH21 H -13.098 -6.011 5.980 1.00 . A A . 4 ARG HH21 1 1 1 62 1 1 4 ARG HH22 H -14.331 -7.147 5.724 1.00 . A A . 4 ARG HH22 1 1 1 63 1 1 4 ARG N N -12.110 0.017 1.963 1.00 . A A . 4 ARG N 1 1 1 64 1 1 4 ARG NE N -14.071 -4.159 4.495 1.00 . A A . 4 ARG NE 1 1 1 65 1 1 4 ARG NH1 N -15.772 -5.711 4.186 1.00 . A A . 4 ARG NH1 1 1 1 66 1 1 4 ARG NH2 N -13.971 -6.228 5.533 1.00 . A A . 4 ARG NH2 1 1 1 67 1 1 4 ARG O O -9.207 -1.343 3.451 1.00 . A A . 4 ARG O 1 1 1 68 1 1 5 ASN C C -8.234 -0.114 0.148 1.00 . A A . 5 ASN C 1 1 1 69 1 1 5 ASN CA C -8.626 -1.441 0.719 1.00 . A A . 5 ASN CA 1 1 1 70 1 1 5 ASN CB C -8.731 -2.486 -0.404 1.00 . A A . 5 ASN CB 1 1 1 71 1 1 5 ASN CG C -7.408 -2.829 -1.102 1.00 . A A . 5 ASN CG 1 1 1 72 1 1 5 ASN H H -10.683 -1.145 0.733 1.00 . A A . 5 ASN H 1 1 1 73 1 1 5 ASN HA H -7.914 -1.763 1.464 1.00 . A A . 5 ASN HA 1 1 1 74 1 1 5 ASN HB2 H -9.132 -3.398 0.011 1.00 . A A . 5 ASN HB2 1 1 1 75 1 1 5 ASN HB3 H -9.420 -2.114 -1.148 1.00 . A A . 5 ASN HB3 1 1 1 76 1 1 5 ASN HD21 H -8.039 -4.676 -1.401 1.00 . A A . 5 ASN HD21 1 1 1 77 1 1 5 ASN HD22 H -6.465 -4.332 -1.989 1.00 . A A . 5 ASN HD22 1 1 1 78 1 1 5 ASN N N -9.909 -1.245 1.325 1.00 . A A . 5 ASN N 1 1 1 79 1 1 5 ASN ND2 N -7.291 -4.056 -1.541 1.00 . A A . 5 ASN ND2 1 1 1 80 1 1 5 ASN O O -8.977 0.460 -0.656 1.00 . A A . 5 ASN O 1 1 1 81 1 1 5 ASN OD1 O -6.504 -2.015 -1.236 1.00 . A A . 5 ASN OD1 1 1 1 82 1 1 6 LYS C C -5.356 1.413 -0.610 1.00 . A A . 6 LYS C 1 1 1 83 1 1 6 LYS CA C -6.654 1.658 0.146 1.00 . A A . 6 LYS CA 1 1 1 84 1 1 6 LYS CB C -6.414 2.555 1.344 1.00 . A A . 6 LYS CB 1 1 1 85 1 1 6 LYS CD C -7.318 3.453 3.470 1.00 . A A . 6 LYS CD 1 1 1 86 1 1 6 LYS CE C -8.536 3.597 4.366 1.00 . A A . 6 LYS CE 1 1 1 87 1 1 6 LYS CG C -7.619 2.637 2.258 1.00 . A A . 6 LYS CG 1 1 1 88 1 1 6 LYS H H -6.646 -0.014 1.338 1.00 . A A . 6 LYS H 1 1 1 89 1 1 6 LYS HA H -7.393 2.111 -0.495 1.00 . A A . 6 LYS HA 1 1 1 90 1 1 6 LYS HB2 H -5.580 2.166 1.908 1.00 . A A . 6 LYS HB2 1 1 1 91 1 1 6 LYS HB3 H -6.176 3.552 1.005 1.00 . A A . 6 LYS HB3 1 1 1 92 1 1 6 LYS HD2 H -6.518 2.976 4.018 1.00 . A A . 6 LYS HD2 1 1 1 93 1 1 6 LYS HD3 H -6.997 4.415 3.113 1.00 . A A . 6 LYS HD3 1 1 1 94 1 1 6 LYS HE2 H -8.816 2.619 4.730 1.00 . A A . 6 LYS HE2 1 1 1 95 1 1 6 LYS HE3 H -8.277 4.231 5.201 1.00 . A A . 6 LYS HE3 1 1 1 96 1 1 6 LYS HG2 H -8.441 3.089 1.722 1.00 . A A . 6 LYS HG2 1 1 1 97 1 1 6 LYS HG3 H -7.895 1.638 2.561 1.00 . A A . 6 LYS HG3 1 1 1 98 1 1 6 LYS HZ1 H -10.091 3.498 2.974 1.00 . A A . 6 LYS HZ1 1 1 1 99 1 1 6 LYS HZ2 H -9.398 5.027 3.123 1.00 . A A . 6 LYS HZ2 1 1 1 100 1 1 6 LYS HZ3 H -10.444 4.468 4.313 1.00 . A A . 6 LYS HZ3 1 1 1 101 1 1 6 LYS N N -7.152 0.415 0.615 1.00 . A A . 6 LYS N 1 1 1 102 1 1 6 LYS NZ N -9.694 4.181 3.653 1.00 . A A . 6 LYS NZ 1 1 1 103 1 1 6 LYS O O -4.276 1.506 -0.028 1.00 . A A . 6 LYS O 1 1 1 104 1 1 7 PRO C C -3.189 1.755 -2.755 1.00 . A A . 7 PRO C 1 1 1 105 1 1 7 PRO CA C -4.265 0.688 -2.711 1.00 . A A . 7 PRO CA 1 1 1 106 1 1 7 PRO CB C -4.831 0.432 -4.115 1.00 . A A . 7 PRO CB 1 1 1 107 1 1 7 PRO CD C -6.662 1.095 -2.743 1.00 . A A . 7 PRO CD 1 1 1 108 1 1 7 PRO CG C -6.140 1.140 -4.143 1.00 . A A . 7 PRO CG 1 1 1 109 1 1 7 PRO HA H -3.832 -0.223 -2.327 1.00 . A A . 7 PRO HA 1 1 1 110 1 1 7 PRO HB2 H -4.151 0.826 -4.855 1.00 . A A . 7 PRO HB2 1 1 1 111 1 1 7 PRO HB3 H -4.959 -0.629 -4.267 1.00 . A A . 7 PRO HB3 1 1 1 112 1 1 7 PRO HD2 H -7.262 1.971 -2.544 1.00 . A A . 7 PRO HD2 1 1 1 113 1 1 7 PRO HD3 H -7.239 0.197 -2.580 1.00 . A A . 7 PRO HD3 1 1 1 114 1 1 7 PRO HG2 H -5.994 2.163 -4.458 1.00 . A A . 7 PRO HG2 1 1 1 115 1 1 7 PRO HG3 H -6.818 0.635 -4.815 1.00 . A A . 7 PRO HG3 1 1 1 116 1 1 7 PRO N N -5.434 1.087 -1.921 1.00 . A A . 7 PRO N 1 1 1 117 1 1 7 PRO O O -1.991 1.441 -2.737 1.00 . A A . 7 PRO O 1 1 1 118 1 1 8 LYS C C -1.794 4.149 -1.622 1.00 . A A . 8 LYS C 1 1 1 119 1 1 8 LYS CA C -2.698 4.132 -2.833 1.00 . A A . 8 LYS CA 1 1 1 120 1 1 8 LYS CB C -3.451 5.463 -2.909 1.00 . A A . 8 LYS CB 1 1 1 121 1 1 8 LYS CD C -3.756 5.510 -5.407 1.00 . A A . 8 LYS CD 1 1 1 122 1 1 8 LYS CE C -4.774 5.587 -6.532 1.00 . A A . 8 LYS CE 1 1 1 123 1 1 8 LYS CG C -4.436 5.575 -4.057 1.00 . A A . 8 LYS CG 1 1 1 124 1 1 8 LYS H H -4.582 3.169 -2.669 1.00 . A A . 8 LYS H 1 1 1 125 1 1 8 LYS HA H -2.106 4.014 -3.726 1.00 . A A . 8 LYS HA 1 1 1 126 1 1 8 LYS HB2 H -3.990 5.609 -1.984 1.00 . A A . 8 LYS HB2 1 1 1 127 1 1 8 LYS HB3 H -2.726 6.258 -3.008 1.00 . A A . 8 LYS HB3 1 1 1 128 1 1 8 LYS HD2 H -3.069 6.338 -5.496 1.00 . A A . 8 LYS HD2 1 1 1 129 1 1 8 LYS HD3 H -3.215 4.578 -5.486 1.00 . A A . 8 LYS HD3 1 1 1 130 1 1 8 LYS HE2 H -4.260 5.525 -7.479 1.00 . A A . 8 LYS HE2 1 1 1 131 1 1 8 LYS HE3 H -5.445 4.747 -6.437 1.00 . A A . 8 LYS HE3 1 1 1 132 1 1 8 LYS HG2 H -5.149 4.768 -3.990 1.00 . A A . 8 LYS HG2 1 1 1 133 1 1 8 LYS HG3 H -4.951 6.521 -3.970 1.00 . A A . 8 LYS HG3 1 1 1 134 1 1 8 LYS HZ1 H -6.120 6.926 -5.618 1.00 . A A . 8 LYS HZ1 1 1 1 135 1 1 8 LYS HZ2 H -6.247 6.884 -7.286 1.00 . A A . 8 LYS HZ2 1 1 1 136 1 1 8 LYS HZ3 H -4.954 7.676 -6.562 1.00 . A A . 8 LYS HZ3 1 1 1 137 1 1 8 LYS N N -3.615 3.014 -2.751 1.00 . A A . 8 LYS N 1 1 1 138 1 1 8 LYS NZ N -5.571 6.842 -6.495 1.00 . A A . 8 LYS NZ 1 1 1 139 1 1 8 LYS O O -0.580 4.143 -1.748 1.00 . A A . 8 LYS O 1 1 1 140 1 1 9 ILE C C -0.978 2.891 1.120 1.00 . A A . 9 ILE C 1 1 1 141 1 1 9 ILE CA C -1.685 4.203 0.790 1.00 . A A . 9 ILE CA 1 1 1 142 1 1 9 ILE CB C -2.649 4.586 1.950 1.00 . A A . 9 ILE CB 1 1 1 143 1 1 9 ILE CD1 C -4.443 6.300 2.625 1.00 . A A . 9 ILE CD1 1 1 1 144 1 1 9 ILE CG1 C -3.412 5.877 1.597 1.00 . A A . 9 ILE CG1 1 1 1 145 1 1 9 ILE CG2 C -1.873 4.763 3.260 1.00 . A A . 9 ILE CG2 1 1 1 146 1 1 9 ILE H H -3.373 3.955 -0.452 1.00 . A A . 9 ILE H 1 1 1 147 1 1 9 ILE HA H -0.946 4.985 0.687 1.00 . A A . 9 ILE HA 1 1 1 148 1 1 9 ILE HB H -3.360 3.784 2.081 1.00 . A A . 9 ILE HB 1 1 1 149 1 1 9 ILE HD11 H -5.179 5.518 2.739 1.00 . A A . 9 ILE HD11 1 1 1 150 1 1 9 ILE HD12 H -4.929 7.207 2.298 1.00 . A A . 9 ILE HD12 1 1 1 151 1 1 9 ILE HD13 H -3.954 6.472 3.572 1.00 . A A . 9 ILE HD13 1 1 1 152 1 1 9 ILE HG12 H -2.706 6.687 1.496 1.00 . A A . 9 ILE HG12 1 1 1 153 1 1 9 ILE HG13 H -3.920 5.734 0.655 1.00 . A A . 9 ILE HG13 1 1 1 154 1 1 9 ILE HG21 H -1.381 3.836 3.516 1.00 . A A . 9 ILE HG21 1 1 1 155 1 1 9 ILE HG22 H -2.557 5.040 4.048 1.00 . A A . 9 ILE HG22 1 1 1 156 1 1 9 ILE HG23 H -1.135 5.542 3.139 1.00 . A A . 9 ILE HG23 1 1 1 157 1 1 9 ILE N N -2.403 4.096 -0.463 1.00 . A A . 9 ILE N 1 1 1 158 1 1 9 ILE O O 0.219 2.885 1.461 1.00 . A A . 9 ILE O 1 1 1 159 1 1 10 LEU C C 0.009 0.118 0.486 1.00 . A A . 10 LEU C 1 1 1 160 1 1 10 LEU CA C -1.221 0.469 1.307 1.00 . A A . 10 LEU CA 1 1 1 161 1 1 10 LEU CB C -2.365 -0.574 1.145 1.00 . A A . 10 LEU CB 1 1 1 162 1 1 10 LEU CD1 C -1.200 -2.830 0.796 1.00 . A A . 10 LEU CD1 1 1 1 163 1 1 10 LEU CD2 C -1.691 -2.023 3.113 1.00 . A A . 10 LEU CD2 1 1 1 164 1 1 10 LEU CG C -2.156 -2.024 1.662 1.00 . A A . 10 LEU CG 1 1 1 165 1 1 10 LEU H H -2.624 1.842 0.609 1.00 . A A . 10 LEU H 1 1 1 166 1 1 10 LEU HA H -0.932 0.499 2.347 1.00 . A A . 10 LEU HA 1 1 1 167 1 1 10 LEU HB2 H -3.235 -0.179 1.648 1.00 . A A . 10 LEU HB2 1 1 1 168 1 1 10 LEU HB3 H -2.598 -0.628 0.091 1.00 . A A . 10 LEU HB3 1 1 1 169 1 1 10 LEU HD11 H -0.235 -2.345 0.776 1.00 . A A . 10 LEU HD11 1 1 1 170 1 1 10 LEU HD12 H -1.590 -2.894 -0.209 1.00 . A A . 10 LEU HD12 1 1 1 171 1 1 10 LEU HD13 H -1.095 -3.822 1.208 1.00 . A A . 10 LEU HD13 1 1 1 172 1 1 10 LEU HD21 H -1.583 -3.042 3.454 1.00 . A A . 10 LEU HD21 1 1 1 173 1 1 10 LEU HD22 H -2.415 -1.510 3.728 1.00 . A A . 10 LEU HD22 1 1 1 174 1 1 10 LEU HD23 H -0.737 -1.521 3.184 1.00 . A A . 10 LEU HD23 1 1 1 175 1 1 10 LEU HG H -3.117 -2.514 1.628 1.00 . A A . 10 LEU HG 1 1 1 176 1 1 10 LEU N N -1.708 1.787 0.966 1.00 . A A . 10 LEU N 1 1 1 177 1 1 10 LEU O O 1.045 -0.207 1.058 1.00 . A A . 10 LEU O 1 1 1 178 1 1 11 LYS C C 2.232 0.809 -1.468 1.00 . A A . 11 LYS C 1 1 1 179 1 1 11 LYS CA C 1.057 -0.136 -1.674 1.00 . A A . 11 LYS CA 1 1 1 180 1 1 11 LYS CB C 0.697 -0.308 -3.171 1.00 . A A . 11 LYS CB 1 1 1 181 1 1 11 LYS CD C 2.666 -1.890 -3.646 1.00 . A A . 11 LYS CD 1 1 1 182 1 1 11 LYS CE C 3.948 -2.068 -4.455 1.00 . A A . 11 LYS CE 1 1 1 183 1 1 11 LYS CG C 1.900 -0.631 -4.087 1.00 . A A . 11 LYS CG 1 1 1 184 1 1 11 LYS H H -0.898 0.562 -1.274 1.00 . A A . 11 LYS H 1 1 1 185 1 1 11 LYS HA H 1.373 -1.094 -1.288 1.00 . A A . 11 LYS HA 1 1 1 186 1 1 11 LYS HB2 H -0.021 -1.110 -3.262 1.00 . A A . 11 LYS HB2 1 1 1 187 1 1 11 LYS HB3 H 0.240 0.605 -3.522 1.00 . A A . 11 LYS HB3 1 1 1 188 1 1 11 LYS HD2 H 2.923 -1.804 -2.601 1.00 . A A . 11 LYS HD2 1 1 1 189 1 1 11 LYS HD3 H 2.035 -2.753 -3.796 1.00 . A A . 11 LYS HD3 1 1 1 190 1 1 11 LYS HE2 H 3.690 -2.201 -5.495 1.00 . A A . 11 LYS HE2 1 1 1 191 1 1 11 LYS HE3 H 4.542 -1.173 -4.348 1.00 . A A . 11 LYS HE3 1 1 1 192 1 1 11 LYS HG2 H 1.546 -0.780 -5.096 1.00 . A A . 11 LYS HG2 1 1 1 193 1 1 11 LYS HG3 H 2.576 0.212 -4.068 1.00 . A A . 11 LYS HG3 1 1 1 194 1 1 11 LYS HZ1 H 5.602 -3.323 -4.617 1.00 . A A . 11 LYS HZ1 1 1 1 195 1 1 11 LYS HZ2 H 4.226 -4.121 -4.130 1.00 . A A . 11 LYS HZ2 1 1 1 196 1 1 11 LYS HZ3 H 5.085 -3.153 -3.030 1.00 . A A . 11 LYS HZ3 1 1 1 197 1 1 11 LYS N N -0.077 0.229 -0.845 1.00 . A A . 11 LYS N 1 1 1 198 1 1 11 LYS NZ N 4.753 -3.233 -4.012 1.00 . A A . 11 LYS NZ 1 1 1 199 1 1 11 LYS O O 3.355 0.396 -1.579 1.00 . A A . 11 LYS O 1 1 1 200 1 1 12 ARG C C 3.860 2.542 0.371 1.00 . A A . 12 ARG C 1 1 1 201 1 1 12 ARG CA C 3.077 2.975 -0.855 1.00 . A A . 12 ARG CA 1 1 1 202 1 1 12 ARG CB C 2.627 4.414 -0.725 1.00 . A A . 12 ARG CB 1 1 1 203 1 1 12 ARG CD C 1.889 6.513 -1.839 1.00 . A A . 12 ARG CD 1 1 1 204 1 1 12 ARG CG C 2.315 5.078 -2.045 1.00 . A A . 12 ARG CG 1 1 1 205 1 1 12 ARG CZ C 2.838 8.597 -0.870 1.00 . A A . 12 ARG CZ 1 1 1 206 1 1 12 ARG H H 1.048 2.373 -1.064 1.00 . A A . 12 ARG H 1 1 1 207 1 1 12 ARG HA H 3.744 2.893 -1.700 1.00 . A A . 12 ARG HA 1 1 1 208 1 1 12 ARG HB2 H 1.735 4.440 -0.118 1.00 . A A . 12 ARG HB2 1 1 1 209 1 1 12 ARG HB3 H 3.403 4.979 -0.233 1.00 . A A . 12 ARG HB3 1 1 1 210 1 1 12 ARG HD2 H 1.722 6.960 -2.807 1.00 . A A . 12 ARG HD2 1 1 1 211 1 1 12 ARG HD3 H 0.971 6.525 -1.271 1.00 . A A . 12 ARG HD3 1 1 1 212 1 1 12 ARG HE H 3.681 6.776 -0.800 1.00 . A A . 12 ARG HE 1 1 1 213 1 1 12 ARG HG2 H 3.193 5.054 -2.673 1.00 . A A . 12 ARG HG2 1 1 1 214 1 1 12 ARG HG3 H 1.513 4.537 -2.522 1.00 . A A . 12 ARG HG3 1 1 1 215 1 1 12 ARG HH11 H 1.076 8.905 -1.875 1.00 . A A . 12 ARG HH11 1 1 1 216 1 1 12 ARG HH12 H 1.741 10.301 -1.147 1.00 . A A . 12 ARG HH12 1 1 1 217 1 1 12 ARG HH21 H 4.593 8.672 0.177 1.00 . A A . 12 ARG HH21 1 1 1 218 1 1 12 ARG HH22 H 3.791 10.167 0.036 1.00 . A A . 12 ARG HH22 1 1 1 219 1 1 12 ARG N N 1.976 2.062 -1.133 1.00 . A A . 12 ARG N 1 1 1 220 1 1 12 ARG NE N 2.906 7.293 -1.121 1.00 . A A . 12 ARG NE 1 1 1 221 1 1 12 ARG NH1 N 1.813 9.318 -1.332 1.00 . A A . 12 ARG NH1 1 1 1 222 1 1 12 ARG NH2 N 3.804 9.186 -0.172 1.00 . A A . 12 ARG NH2 1 1 1 223 1 1 12 ARG O O 5.072 2.320 0.282 1.00 . A A . 12 ARG O 1 1 1 224 1 1 13 ILE C C 4.462 0.548 2.513 1.00 . A A . 13 ILE C 1 1 1 225 1 1 13 ILE CA C 3.794 1.908 2.739 1.00 . A A . 13 ILE CA 1 1 1 226 1 1 13 ILE CB C 2.755 1.806 3.901 1.00 . A A . 13 ILE CB 1 1 1 227 1 1 13 ILE CD1 C 3.108 4.252 4.648 1.00 . A A . 13 ILE CD1 1 1 1 228 1 1 13 ILE CG1 C 2.120 3.181 4.203 1.00 . A A . 13 ILE CG1 1 1 1 229 1 1 13 ILE CG2 C 3.382 1.217 5.165 1.00 . A A . 13 ILE CG2 1 1 1 230 1 1 13 ILE H H 2.191 2.520 1.473 1.00 . A A . 13 ILE H 1 1 1 231 1 1 13 ILE HA H 4.558 2.626 3.002 1.00 . A A . 13 ILE HA 1 1 1 232 1 1 13 ILE HB H 1.975 1.131 3.580 1.00 . A A . 13 ILE HB 1 1 1 233 1 1 13 ILE HD11 H 3.625 3.917 5.535 1.00 . A A . 13 ILE HD11 1 1 1 234 1 1 13 ILE HD12 H 2.571 5.162 4.871 1.00 . A A . 13 ILE HD12 1 1 1 235 1 1 13 ILE HD13 H 3.823 4.442 3.861 1.00 . A A . 13 ILE HD13 1 1 1 236 1 1 13 ILE HG12 H 1.630 3.544 3.311 1.00 . A A . 13 ILE HG12 1 1 1 237 1 1 13 ILE HG13 H 1.383 3.062 4.983 1.00 . A A . 13 ILE HG13 1 1 1 238 1 1 13 ILE HG21 H 4.192 1.852 5.494 1.00 . A A . 13 ILE HG21 1 1 1 239 1 1 13 ILE HG22 H 3.766 0.231 4.950 1.00 . A A . 13 ILE HG22 1 1 1 240 1 1 13 ILE HG23 H 2.635 1.152 5.942 1.00 . A A . 13 ILE HG23 1 1 1 241 1 1 13 ILE N N 3.162 2.358 1.490 1.00 . A A . 13 ILE N 1 1 1 242 1 1 13 ILE O O 5.606 0.306 2.935 1.00 . A A . 13 ILE O 1 1 1 243 1 1 14 LEU C C 5.494 -1.491 0.534 1.00 . A A . 14 LEU C 1 1 1 244 1 1 14 LEU CA C 4.281 -1.599 1.452 1.00 . A A . 14 LEU CA 1 1 1 245 1 1 14 LEU CB C 3.194 -2.468 0.807 1.00 . A A . 14 LEU CB 1 1 1 246 1 1 14 LEU CD1 C 3.986 -4.702 1.660 1.00 . A A . 14 LEU CD1 1 1 1 247 1 1 14 LEU CD2 C 2.447 -4.584 -0.292 1.00 . A A . 14 LEU CD2 1 1 1 248 1 1 14 LEU CG C 3.586 -3.902 0.432 1.00 . A A . 14 LEU CG 1 1 1 249 1 1 14 LEU H H 2.876 -0.045 1.466 1.00 . A A . 14 LEU H 1 1 1 250 1 1 14 LEU HA H 4.590 -2.067 2.375 1.00 . A A . 14 LEU HA 1 1 1 251 1 1 14 LEU HB2 H 2.356 -2.516 1.487 1.00 . A A . 14 LEU HB2 1 1 1 252 1 1 14 LEU HB3 H 2.868 -1.966 -0.092 1.00 . A A . 14 LEU HB3 1 1 1 253 1 1 14 LEU HD11 H 4.247 -5.707 1.363 1.00 . A A . 14 LEU HD11 1 1 1 254 1 1 14 LEU HD12 H 3.160 -4.734 2.355 1.00 . A A . 14 LEU HD12 1 1 1 255 1 1 14 LEU HD13 H 4.839 -4.237 2.133 1.00 . A A . 14 LEU HD13 1 1 1 256 1 1 14 LEU HD21 H 2.217 -4.034 -1.193 1.00 . A A . 14 LEU HD21 1 1 1 257 1 1 14 LEU HD22 H 1.578 -4.605 0.348 1.00 . A A . 14 LEU HD22 1 1 1 258 1 1 14 LEU HD23 H 2.732 -5.594 -0.549 1.00 . A A . 14 LEU HD23 1 1 1 259 1 1 14 LEU HG H 4.435 -3.867 -0.234 1.00 . A A . 14 LEU HG 1 1 1 260 1 1 14 LEU N N 3.772 -0.300 1.781 1.00 . A A . 14 LEU N 1 1 1 261 1 1 14 LEU O O 6.378 -2.295 0.628 1.00 . A A . 14 LEU O 1 1 1 262 1 1 15 ALA C C 7.935 0.105 -0.577 1.00 . A A . 15 ALA C 1 1 1 263 1 1 15 ALA CA C 6.655 -0.280 -1.260 1.00 . A A . 15 ALA CA 1 1 1 264 1 1 15 ALA CB C 6.313 0.735 -2.342 1.00 . A A . 15 ALA CB 1 1 1 265 1 1 15 ALA H H 4.887 0.280 -0.251 1.00 . A A . 15 ALA H 1 1 1 266 1 1 15 ALA HA H 6.803 -1.241 -1.730 1.00 . A A . 15 ALA HA 1 1 1 267 1 1 15 ALA HB1 H 5.389 0.450 -2.823 1.00 . A A . 15 ALA HB1 1 1 1 268 1 1 15 ALA HB2 H 7.107 0.767 -3.073 1.00 . A A . 15 ALA HB2 1 1 1 269 1 1 15 ALA HB3 H 6.197 1.711 -1.893 1.00 . A A . 15 ALA HB3 1 1 1 270 1 1 15 ALA N N 5.566 -0.436 -0.290 1.00 . A A . 15 ALA N 1 1 1 271 1 1 15 ALA O O 9.007 0.041 -1.169 1.00 . A A . 15 ALA O 1 1 1 272 1 1 16 LYS C C 9.759 -0.402 1.733 1.00 . A A . 16 LYS C 1 1 1 273 1 1 16 LYS CA C 8.983 0.878 1.436 1.00 . A A . 16 LYS CA 1 1 1 274 1 1 16 LYS CB C 8.575 1.595 2.733 1.00 . A A . 16 LYS CB 1 1 1 275 1 1 16 LYS CD C 8.374 3.882 1.618 1.00 . A A . 16 LYS CD 1 1 1 276 1 1 16 LYS CE C 9.607 4.490 2.271 1.00 . A A . 16 LYS CE 1 1 1 277 1 1 16 LYS CG C 7.700 2.838 2.512 1.00 . A A . 16 LYS CG 1 1 1 278 1 1 16 LYS H H 6.926 0.646 1.041 1.00 . A A . 16 LYS H 1 1 1 279 1 1 16 LYS HA H 9.609 1.530 0.846 1.00 . A A . 16 LYS HA 1 1 1 280 1 1 16 LYS HB2 H 8.019 0.899 3.345 1.00 . A A . 16 LYS HB2 1 1 1 281 1 1 16 LYS HB3 H 9.463 1.893 3.269 1.00 . A A . 16 LYS HB3 1 1 1 282 1 1 16 LYS HD2 H 8.665 3.418 0.688 1.00 . A A . 16 LYS HD2 1 1 1 283 1 1 16 LYS HD3 H 7.662 4.668 1.412 1.00 . A A . 16 LYS HD3 1 1 1 284 1 1 16 LYS HE2 H 10.295 3.699 2.529 1.00 . A A . 16 LYS HE2 1 1 1 285 1 1 16 LYS HE3 H 10.077 5.150 1.560 1.00 . A A . 16 LYS HE3 1 1 1 286 1 1 16 LYS HG2 H 6.776 2.532 2.044 1.00 . A A . 16 LYS HG2 1 1 1 287 1 1 16 LYS HG3 H 7.481 3.283 3.472 1.00 . A A . 16 LYS HG3 1 1 1 288 1 1 16 LYS HZ1 H 10.116 5.661 3.921 1.00 . A A . 16 LYS HZ1 1 1 1 289 1 1 16 LYS HZ2 H 8.820 4.637 4.202 1.00 . A A . 16 LYS HZ2 1 1 1 290 1 1 16 LYS HZ3 H 8.598 6.015 3.277 1.00 . A A . 16 LYS HZ3 1 1 1 291 1 1 16 LYS N N 7.824 0.544 0.656 1.00 . A A . 16 LYS N 1 1 1 292 1 1 16 LYS NZ N 9.266 5.248 3.487 1.00 . A A . 16 LYS NZ 1 1 1 293 1 1 16 LYS O O 10.991 -0.447 1.621 1.00 . A A . 16 LYS O 1 1 1 294 1 1 17 ILE C C 9.656 -3.653 1.107 1.00 . A A . 17 ILE C 1 1 1 295 1 1 17 ILE CA C 9.663 -2.736 2.349 1.00 . A A . 17 ILE CA 1 1 1 296 1 1 17 ILE CB C 9.087 -3.472 3.595 1.00 . A A . 17 ILE CB 1 1 1 297 1 1 17 ILE CD1 C 6.949 -4.406 4.655 1.00 . A A . 17 ILE CD1 1 1 1 298 1 1 17 ILE CG1 C 7.556 -3.623 3.510 1.00 . A A . 17 ILE CG1 1 1 1 299 1 1 17 ILE CG2 C 9.497 -2.745 4.873 1.00 . A A . 17 ILE CG2 1 1 1 300 1 1 17 ILE H H 8.066 -1.331 2.194 1.00 . A A . 17 ILE H 1 1 1 301 1 1 17 ILE HA H 10.703 -2.510 2.545 1.00 . A A . 17 ILE HA 1 1 1 302 1 1 17 ILE HB H 9.538 -4.453 3.626 1.00 . A A . 17 ILE HB 1 1 1 303 1 1 17 ILE HD11 H 7.173 -3.911 5.588 1.00 . A A . 17 ILE HD11 1 1 1 304 1 1 17 ILE HD12 H 7.362 -5.404 4.669 1.00 . A A . 17 ILE HD12 1 1 1 305 1 1 17 ILE HD13 H 5.879 -4.460 4.524 1.00 . A A . 17 ILE HD13 1 1 1 306 1 1 17 ILE HG12 H 7.103 -2.643 3.509 1.00 . A A . 17 ILE HG12 1 1 1 307 1 1 17 ILE HG13 H 7.304 -4.128 2.589 1.00 . A A . 17 ILE HG13 1 1 1 308 1 1 17 ILE HG21 H 9.084 -3.262 5.727 1.00 . A A . 17 ILE HG21 1 1 1 309 1 1 17 ILE HG22 H 9.120 -1.733 4.848 1.00 . A A . 17 ILE HG22 1 1 1 310 1 1 17 ILE HG23 H 10.574 -2.726 4.950 1.00 . A A . 17 ILE HG23 1 1 1 311 1 1 17 ILE N N 9.038 -1.445 2.099 1.00 . A A . 17 ILE N 1 1 1 312 1 1 17 ILE O O 10.687 -4.190 0.721 1.00 . A A . 17 ILE O 1 1 1 313 1 1 18 PHE C C 8.048 -3.843 -1.918 1.00 . A A . 18 PHE C 1 1 1 314 1 1 18 PHE CA C 8.339 -4.658 -0.660 1.00 . A A . 18 PHE CA 1 1 1 315 1 1 18 PHE CB C 7.197 -5.649 -0.375 1.00 . A A . 18 PHE CB 1 1 1 316 1 1 18 PHE CD1 C 7.809 -7.772 -1.555 1.00 . A A . 18 PHE CD1 1 1 1 317 1 1 18 PHE CD2 C 5.928 -6.554 -2.347 1.00 . A A . 18 PHE CD2 1 1 1 318 1 1 18 PHE CE1 C 7.610 -8.723 -2.531 1.00 . A A . 18 PHE CE1 1 1 1 319 1 1 18 PHE CE2 C 5.723 -7.502 -3.327 1.00 . A A . 18 PHE CE2 1 1 1 320 1 1 18 PHE CG C 6.975 -6.678 -1.451 1.00 . A A . 18 PHE CG 1 1 1 321 1 1 18 PHE CZ C 6.566 -8.587 -3.419 1.00 . A A . 18 PHE CZ 1 1 1 322 1 1 18 PHE H H 7.743 -3.225 0.726 1.00 . A A . 18 PHE H 1 1 1 323 1 1 18 PHE HA H 9.256 -5.210 -0.791 1.00 . A A . 18 PHE HA 1 1 1 324 1 1 18 PHE HB2 H 7.408 -6.174 0.543 1.00 . A A . 18 PHE HB2 1 1 1 325 1 1 18 PHE HB3 H 6.280 -5.091 -0.251 1.00 . A A . 18 PHE HB3 1 1 1 326 1 1 18 PHE HD1 H 8.629 -7.877 -0.860 1.00 . A A . 18 PHE HD1 1 1 1 327 1 1 18 PHE HD2 H 5.265 -5.704 -2.276 1.00 . A A . 18 PHE HD2 1 1 1 328 1 1 18 PHE HE1 H 8.273 -9.573 -2.599 1.00 . A A . 18 PHE HE1 1 1 1 329 1 1 18 PHE HE2 H 4.902 -7.393 -4.022 1.00 . A A . 18 PHE HE2 1 1 1 330 1 1 18 PHE HZ H 6.409 -9.332 -4.185 1.00 . A A . 18 PHE HZ 1 1 1 331 1 1 18 PHE N N 8.520 -3.774 0.469 1.00 . A A . 18 PHE N 1 1 1 332 1 1 18 PHE O O 6.927 -3.332 -2.111 1.00 . A A . 18 PHE O 1 1 1 333 1 1 19 LYS C C 8.213 -3.700 -5.011 1.00 . A A . 19 LYS C 1 1 1 334 1 1 19 LYS CA C 8.949 -2.931 -3.949 1.00 . A A . 19 LYS CA 1 1 1 335 1 1 19 LYS CB C 10.330 -2.476 -4.449 1.00 . A A . 19 LYS CB 1 1 1 336 1 1 19 LYS CD C 11.400 -1.904 -2.174 1.00 . A A . 19 LYS CD 1 1 1 337 1 1 19 LYS CE C 12.495 -2.951 -2.217 1.00 . A A . 19 LYS CE 1 1 1 338 1 1 19 LYS CG C 11.025 -1.415 -3.575 1.00 . A A . 19 LYS CG 1 1 1 339 1 1 19 LYS H H 9.894 -4.169 -2.573 1.00 . A A . 19 LYS H 1 1 1 340 1 1 19 LYS HA H 8.365 -2.055 -3.707 1.00 . A A . 19 LYS HA 1 1 1 341 1 1 19 LYS HB2 H 10.976 -3.338 -4.514 1.00 . A A . 19 LYS HB2 1 1 1 342 1 1 19 LYS HB3 H 10.210 -2.065 -5.441 1.00 . A A . 19 LYS HB3 1 1 1 343 1 1 19 LYS HD2 H 11.734 -1.064 -1.584 1.00 . A A . 19 LYS HD2 1 1 1 344 1 1 19 LYS HD3 H 10.521 -2.332 -1.713 1.00 . A A . 19 LYS HD3 1 1 1 345 1 1 19 LYS HE2 H 12.181 -3.766 -2.850 1.00 . A A . 19 LYS HE2 1 1 1 346 1 1 19 LYS HE3 H 13.380 -2.501 -2.641 1.00 . A A . 19 LYS HE3 1 1 1 347 1 1 19 LYS HG2 H 11.944 -1.162 -4.075 1.00 . A A . 19 LYS HG2 1 1 1 348 1 1 19 LYS HG3 H 10.394 -0.542 -3.500 1.00 . A A . 19 LYS HG3 1 1 1 349 1 1 19 LYS HZ1 H 13.580 -4.181 -0.948 1.00 . A A . 19 LYS HZ1 1 1 1 350 1 1 19 LYS HZ2 H 12.008 -3.935 -0.414 1.00 . A A . 19 LYS HZ2 1 1 1 351 1 1 19 LYS HZ3 H 13.167 -2.715 -0.250 1.00 . A A . 19 LYS HZ3 1 1 1 352 1 1 19 LYS N N 9.046 -3.709 -2.748 1.00 . A A . 19 LYS N 1 1 1 353 1 1 19 LYS NZ N 12.823 -3.473 -0.872 1.00 . A A . 19 LYS NZ 1 1 1 354 1 1 19 LYS O O 7.065 -3.339 -5.310 1.00 . A A . 19 LYS O 1 1 1 355 1 1 19 LYS OXT O 8.749 -4.705 -5.510 1.00 . A A . 19 LYS OXT 1 1 2 356 1 1 1 PRO C C -9.472 10.297 11.065 1.00 . A A . 1 PRO C 1 1 2 357 1 1 1 PRO CA C -10.868 10.634 11.518 1.00 . A A . 1 PRO CA 1 1 2 358 1 1 1 PRO CB C -11.586 11.452 10.453 1.00 . A A . 1 PRO CB 1 1 2 359 1 1 1 PRO CD C -11.046 12.841 12.358 1.00 . A A . 1 PRO CD 1 1 2 360 1 1 1 PRO CG C -11.947 12.735 11.146 1.00 . A A . 1 PRO CG 1 1 2 361 1 1 1 PRO H2 H -10.483 10.726 13.452 1.00 . A A . 1 PRO H2 1 1 2 362 1 1 1 PRO H3 H -11.690 11.797 13.044 1.00 . A A . 1 PRO H3 1 1 2 363 1 1 1 PRO HA H -11.419 9.724 11.703 1.00 . A A . 1 PRO HA 1 1 2 364 1 1 1 PRO HB2 H -10.924 11.617 9.615 1.00 . A A . 1 PRO HB2 1 1 2 365 1 1 1 PRO HB3 H -12.468 10.922 10.126 1.00 . A A . 1 PRO HB3 1 1 2 366 1 1 1 PRO HD2 H -10.180 13.412 12.044 1.00 . A A . 1 PRO HD2 1 1 2 367 1 1 1 PRO HD3 H -11.540 13.390 13.148 1.00 . A A . 1 PRO HD3 1 1 2 368 1 1 1 PRO HG2 H -11.781 13.570 10.482 1.00 . A A . 1 PRO HG2 1 1 2 369 1 1 1 PRO HG3 H -12.981 12.706 11.451 1.00 . A A . 1 PRO HG3 1 1 2 370 1 1 1 PRO N N -10.791 11.397 12.722 1.00 . A A . 1 PRO N 1 1 2 371 1 1 1 PRO O O -8.715 11.191 10.679 1.00 . A A . 1 PRO O 1 1 2 372 1 1 2 MET C C -7.896 8.134 9.285 1.00 . A A . 2 MET C 1 1 2 373 1 1 2 MET CA C -7.798 8.633 10.700 1.00 . A A . 2 MET CA 1 1 2 374 1 1 2 MET CB C -7.224 7.529 11.596 1.00 . A A . 2 MET CB 1 1 2 375 1 1 2 MET CE C -6.195 7.392 15.635 1.00 . A A . 2 MET CE 1 1 2 376 1 1 2 MET CG C -6.979 7.943 13.035 1.00 . A A . 2 MET CG 1 1 2 377 1 1 2 MET H H -9.735 8.369 11.470 1.00 . A A . 2 MET H 1 1 2 378 1 1 2 MET HA H -7.148 9.493 10.732 1.00 . A A . 2 MET HA 1 1 2 379 1 1 2 MET HB2 H -7.911 6.697 11.602 1.00 . A A . 2 MET HB2 1 1 2 380 1 1 2 MET HB3 H -6.286 7.199 11.175 1.00 . A A . 2 MET HB3 1 1 2 381 1 1 2 MET HE1 H -5.784 6.699 16.354 1.00 . A A . 2 MET HE1 1 1 2 382 1 1 2 MET HE2 H -7.181 7.696 15.952 1.00 . A A . 2 MET HE2 1 1 2 383 1 1 2 MET HE3 H -5.556 8.259 15.562 1.00 . A A . 2 MET HE3 1 1 2 384 1 1 2 MET HG2 H -6.282 8.768 13.045 1.00 . A A . 2 MET HG2 1 1 2 385 1 1 2 MET HG3 H -7.914 8.261 13.470 1.00 . A A . 2 MET HG3 1 1 2 386 1 1 2 MET N N -9.107 9.050 11.140 1.00 . A A . 2 MET N 1 1 2 387 1 1 2 MET O O -8.958 7.648 8.866 1.00 . A A . 2 MET O 1 1 2 388 1 1 2 MET SD S -6.304 6.597 14.031 1.00 . A A . 2 MET SD 1 1 2 389 1 1 3 ALA C C -6.936 6.279 7.176 1.00 . A A . 3 ALA C 1 1 2 390 1 1 3 ALA CA C -6.781 7.785 7.187 1.00 . A A . 3 ALA CA 1 1 2 391 1 1 3 ALA CB C -5.481 8.191 6.517 1.00 . A A . 3 ALA CB 1 1 2 392 1 1 3 ALA H H -6.029 8.686 8.933 1.00 . A A . 3 ALA H 1 1 2 393 1 1 3 ALA HA H -7.607 8.229 6.650 1.00 . A A . 3 ALA HA 1 1 2 394 1 1 3 ALA HB1 H -5.375 9.264 6.557 1.00 . A A . 3 ALA HB1 1 1 2 395 1 1 3 ALA HB2 H -5.496 7.868 5.487 1.00 . A A . 3 ALA HB2 1 1 2 396 1 1 3 ALA HB3 H -4.650 7.725 7.024 1.00 . A A . 3 ALA HB3 1 1 2 397 1 1 3 ALA N N -6.825 8.260 8.548 1.00 . A A . 3 ALA N 1 1 2 398 1 1 3 ALA O O -6.479 5.584 8.102 1.00 . A A . 3 ALA O 1 1 2 399 1 1 4 ARG C C -6.759 3.792 5.202 1.00 . A A . 4 ARG C 1 1 2 400 1 1 4 ARG CA C -7.826 4.362 6.081 1.00 . A A . 4 ARG CA 1 1 2 401 1 1 4 ARG CB C -9.210 4.060 5.491 1.00 . A A . 4 ARG CB 1 1 2 402 1 1 4 ARG CD C -10.522 3.986 7.680 1.00 . A A . 4 ARG CD 1 1 2 403 1 1 4 ARG CG C -10.410 4.591 6.288 1.00 . A A . 4 ARG CG 1 1 2 404 1 1 4 ARG CZ C -9.219 3.919 9.798 1.00 . A A . 4 ARG CZ 1 1 2 405 1 1 4 ARG H H -7.970 6.371 5.500 1.00 . A A . 4 ARG H 1 1 2 406 1 1 4 ARG HA H -7.756 3.918 7.064 1.00 . A A . 4 ARG HA 1 1 2 407 1 1 4 ARG HB2 H -9.251 4.526 4.520 1.00 . A A . 4 ARG HB2 1 1 2 408 1 1 4 ARG HB3 H -9.320 2.991 5.375 1.00 . A A . 4 ARG HB3 1 1 2 409 1 1 4 ARG HD2 H -11.454 4.296 8.126 1.00 . A A . 4 ARG HD2 1 1 2 410 1 1 4 ARG HD3 H -10.511 2.910 7.583 1.00 . A A . 4 ARG HD3 1 1 2 411 1 1 4 ARG HE H -8.814 5.048 8.167 1.00 . A A . 4 ARG HE 1 1 2 412 1 1 4 ARG HG2 H -10.296 5.659 6.399 1.00 . A A . 4 ARG HG2 1 1 2 413 1 1 4 ARG HG3 H -11.314 4.383 5.736 1.00 . A A . 4 ARG HG3 1 1 2 414 1 1 4 ARG HH11 H -10.873 2.719 9.829 1.00 . A A . 4 ARG HH11 1 1 2 415 1 1 4 ARG HH12 H -9.946 2.654 11.250 1.00 . A A . 4 ARG HH12 1 1 2 416 1 1 4 ARG HH21 H -7.492 4.965 10.106 1.00 . A A . 4 ARG HH21 1 1 2 417 1 1 4 ARG HH22 H -7.987 3.981 11.416 1.00 . A A . 4 ARG HH22 1 1 2 418 1 1 4 ARG N N -7.618 5.778 6.200 1.00 . A A . 4 ARG N 1 1 2 419 1 1 4 ARG NE N -9.426 4.389 8.565 1.00 . A A . 4 ARG NE 1 1 2 420 1 1 4 ARG NH1 N -10.067 3.043 10.331 1.00 . A A . 4 ARG NH1 1 1 2 421 1 1 4 ARG NH2 N -8.159 4.318 10.485 1.00 . A A . 4 ARG NH2 1 1 2 422 1 1 4 ARG O O -6.090 4.535 4.472 1.00 . A A . 4 ARG O 1 1 2 423 1 1 5 ASN C C -6.171 1.722 3.023 1.00 . A A . 5 ASN C 1 1 2 424 1 1 5 ASN CA C -5.601 1.883 4.413 1.00 . A A . 5 ASN CA 1 1 2 425 1 1 5 ASN CB C -5.105 0.549 4.984 1.00 . A A . 5 ASN CB 1 1 2 426 1 1 5 ASN CG C -4.049 -0.113 4.112 1.00 . A A . 5 ASN CG 1 1 2 427 1 1 5 ASN H H -7.110 1.953 5.865 1.00 . A A . 5 ASN H 1 1 2 428 1 1 5 ASN HA H -4.769 2.571 4.346 1.00 . A A . 5 ASN HA 1 1 2 429 1 1 5 ASN HB2 H -4.684 0.714 5.965 1.00 . A A . 5 ASN HB2 1 1 2 430 1 1 5 ASN HB3 H -5.945 -0.124 5.070 1.00 . A A . 5 ASN HB3 1 1 2 431 1 1 5 ASN HD21 H -2.634 0.945 4.990 1.00 . A A . 5 ASN HD21 1 1 2 432 1 1 5 ASN HD22 H -2.112 -0.155 3.762 1.00 . A A . 5 ASN HD22 1 1 2 433 1 1 5 ASN N N -6.576 2.505 5.255 1.00 . A A . 5 ASN N 1 1 2 434 1 1 5 ASN ND2 N -2.811 0.262 4.304 1.00 . A A . 5 ASN ND2 1 1 2 435 1 1 5 ASN O O -6.817 0.728 2.699 1.00 . A A . 5 ASN O 1 1 2 436 1 1 5 ASN OD1 O -4.355 -0.949 3.255 1.00 . A A . 5 ASN OD1 1 1 2 437 1 1 6 LYS C C -5.408 2.095 0.077 1.00 . A A . 6 LYS C 1 1 2 438 1 1 6 LYS CA C -6.490 2.755 0.900 1.00 . A A . 6 LYS CA 1 1 2 439 1 1 6 LYS CB C -6.750 4.194 0.414 1.00 . A A . 6 LYS CB 1 1 2 440 1 1 6 LYS CD C -9.063 4.328 1.506 1.00 . A A . 6 LYS CD 1 1 2 441 1 1 6 LYS CE C -9.838 4.187 0.202 1.00 . A A . 6 LYS CE 1 1 2 442 1 1 6 LYS CG C -7.699 5.005 1.313 1.00 . A A . 6 LYS CG 1 1 2 443 1 1 6 LYS H H -5.634 3.567 2.643 1.00 . A A . 6 LYS H 1 1 2 444 1 1 6 LYS HA H -7.401 2.178 0.841 1.00 . A A . 6 LYS HA 1 1 2 445 1 1 6 LYS HB2 H -5.805 4.715 0.369 1.00 . A A . 6 LYS HB2 1 1 2 446 1 1 6 LYS HB3 H -7.172 4.157 -0.579 1.00 . A A . 6 LYS HB3 1 1 2 447 1 1 6 LYS HD2 H -8.910 3.345 1.925 1.00 . A A . 6 LYS HD2 1 1 2 448 1 1 6 LYS HD3 H -9.645 4.917 2.199 1.00 . A A . 6 LYS HD3 1 1 2 449 1 1 6 LYS HE2 H -9.251 3.606 -0.494 1.00 . A A . 6 LYS HE2 1 1 2 450 1 1 6 LYS HE3 H -10.758 3.661 0.416 1.00 . A A . 6 LYS HE3 1 1 2 451 1 1 6 LYS HG2 H -7.238 5.122 2.282 1.00 . A A . 6 LYS HG2 1 1 2 452 1 1 6 LYS HG3 H -7.848 5.979 0.871 1.00 . A A . 6 LYS HG3 1 1 2 453 1 1 6 LYS HZ1 H -9.306 6.038 -0.642 1.00 . A A . 6 LYS HZ1 1 1 2 454 1 1 6 LYS HZ2 H -10.734 6.082 0.224 1.00 . A A . 6 LYS HZ2 1 1 2 455 1 1 6 LYS HZ3 H -10.704 5.359 -1.288 1.00 . A A . 6 LYS HZ3 1 1 2 456 1 1 6 LYS N N -6.042 2.762 2.256 1.00 . A A . 6 LYS N 1 1 2 457 1 1 6 LYS NZ N -10.159 5.494 -0.413 1.00 . A A . 6 LYS NZ 1 1 2 458 1 1 6 LYS O O -4.239 2.216 0.431 1.00 . A A . 6 LYS O 1 1 2 459 1 1 7 PRO C C -3.574 1.486 -2.248 1.00 . A A . 7 PRO C 1 1 2 460 1 1 7 PRO CA C -4.801 0.656 -1.852 1.00 . A A . 7 PRO CA 1 1 2 461 1 1 7 PRO CB C -5.623 0.293 -3.072 1.00 . A A . 7 PRO CB 1 1 2 462 1 1 7 PRO CD C -7.154 1.155 -1.456 1.00 . A A . 7 PRO CD 1 1 2 463 1 1 7 PRO CG C -6.999 0.133 -2.541 1.00 . A A . 7 PRO CG 1 1 2 464 1 1 7 PRO HA H -4.464 -0.249 -1.367 1.00 . A A . 7 PRO HA 1 1 2 465 1 1 7 PRO HB2 H -5.554 1.081 -3.807 1.00 . A A . 7 PRO HB2 1 1 2 466 1 1 7 PRO HB3 H -5.254 -0.632 -3.489 1.00 . A A . 7 PRO HB3 1 1 2 467 1 1 7 PRO HD2 H -7.585 2.066 -1.844 1.00 . A A . 7 PRO HD2 1 1 2 468 1 1 7 PRO HD3 H -7.764 0.759 -0.659 1.00 . A A . 7 PRO HD3 1 1 2 469 1 1 7 PRO HG2 H -7.719 0.307 -3.326 1.00 . A A . 7 PRO HG2 1 1 2 470 1 1 7 PRO HG3 H -7.120 -0.861 -2.135 1.00 . A A . 7 PRO HG3 1 1 2 471 1 1 7 PRO N N -5.765 1.374 -0.995 1.00 . A A . 7 PRO N 1 1 2 472 1 1 7 PRO O O -2.456 0.997 -2.175 1.00 . A A . 7 PRO O 1 1 2 473 1 1 8 LYS C C -1.731 3.883 -1.817 1.00 . A A . 8 LYS C 1 1 2 474 1 1 8 LYS CA C -2.672 3.619 -3.002 1.00 . A A . 8 LYS CA 1 1 2 475 1 1 8 LYS CB C -3.175 4.939 -3.617 1.00 . A A . 8 LYS CB 1 1 2 476 1 1 8 LYS CD C -4.511 7.104 -3.381 1.00 . A A . 8 LYS CD 1 1 2 477 1 1 8 LYS CE C -3.408 8.185 -3.479 1.00 . A A . 8 LYS CE 1 1 2 478 1 1 8 LYS CG C -4.052 5.799 -2.705 1.00 . A A . 8 LYS CG 1 1 2 479 1 1 8 LYS H H -4.706 3.067 -2.669 1.00 . A A . 8 LYS H 1 1 2 480 1 1 8 LYS HA H -2.103 3.083 -3.748 1.00 . A A . 8 LYS HA 1 1 2 481 1 1 8 LYS HB2 H -2.318 5.530 -3.899 1.00 . A A . 8 LYS HB2 1 1 2 482 1 1 8 LYS HB3 H -3.740 4.709 -4.508 1.00 . A A . 8 LYS HB3 1 1 2 483 1 1 8 LYS HD2 H -4.842 6.871 -4.383 1.00 . A A . 8 LYS HD2 1 1 2 484 1 1 8 LYS HD3 H -5.347 7.503 -2.826 1.00 . A A . 8 LYS HD3 1 1 2 485 1 1 8 LYS HE2 H -3.843 9.078 -3.904 1.00 . A A . 8 LYS HE2 1 1 2 486 1 1 8 LYS HE3 H -3.068 8.412 -2.479 1.00 . A A . 8 LYS HE3 1 1 2 487 1 1 8 LYS HG2 H -4.923 5.232 -2.412 1.00 . A A . 8 LYS HG2 1 1 2 488 1 1 8 LYS HG3 H -3.481 6.048 -1.823 1.00 . A A . 8 LYS HG3 1 1 2 489 1 1 8 LYS HZ1 H -2.523 7.438 -5.248 1.00 . A A . 8 LYS HZ1 1 1 2 490 1 1 8 LYS HZ2 H -1.609 7.125 -3.834 1.00 . A A . 8 LYS HZ2 1 1 2 491 1 1 8 LYS HZ3 H -1.658 8.643 -4.478 1.00 . A A . 8 LYS HZ3 1 1 2 492 1 1 8 LYS N N -3.781 2.742 -2.622 1.00 . A A . 8 LYS N 1 1 2 493 1 1 8 LYS NZ N -2.241 7.797 -4.313 1.00 . A A . 8 LYS NZ 1 1 2 494 1 1 8 LYS O O -0.513 3.934 -1.974 1.00 . A A . 8 LYS O 1 1 2 495 1 1 9 ILE C C -0.823 2.941 0.960 1.00 . A A . 9 ILE C 1 1 2 496 1 1 9 ILE CA C -1.528 4.235 0.574 1.00 . A A . 9 ILE CA 1 1 2 497 1 1 9 ILE CB C -2.440 4.708 1.744 1.00 . A A . 9 ILE CB 1 1 2 498 1 1 9 ILE CD1 C -4.180 6.477 2.397 1.00 . A A . 9 ILE CD1 1 1 2 499 1 1 9 ILE CG1 C -3.212 5.977 1.341 1.00 . A A . 9 ILE CG1 1 1 2 500 1 1 9 ILE CG2 C -1.614 4.966 3.004 1.00 . A A . 9 ILE CG2 1 1 2 501 1 1 9 ILE H H -3.271 3.867 -0.563 1.00 . A A . 9 ILE H 1 1 2 502 1 1 9 ILE HA H -0.792 4.994 0.358 1.00 . A A . 9 ILE HA 1 1 2 503 1 1 9 ILE HB H -3.150 3.922 1.959 1.00 . A A . 9 ILE HB 1 1 2 504 1 1 9 ILE HD11 H -3.637 6.695 3.305 1.00 . A A . 9 ILE HD11 1 1 2 505 1 1 9 ILE HD12 H -4.922 5.718 2.596 1.00 . A A . 9 ILE HD12 1 1 2 506 1 1 9 ILE HD13 H -4.667 7.374 2.046 1.00 . A A . 9 ILE HD13 1 1 2 507 1 1 9 ILE HG12 H -2.505 6.770 1.145 1.00 . A A . 9 ILE HG12 1 1 2 508 1 1 9 ILE HG13 H -3.773 5.776 0.442 1.00 . A A . 9 ILE HG13 1 1 2 509 1 1 9 ILE HG21 H -2.270 5.292 3.798 1.00 . A A . 9 ILE HG21 1 1 2 510 1 1 9 ILE HG22 H -0.882 5.735 2.803 1.00 . A A . 9 ILE HG22 1 1 2 511 1 1 9 ILE HG23 H -1.111 4.058 3.301 1.00 . A A . 9 ILE HG23 1 1 2 512 1 1 9 ILE N N -2.301 3.992 -0.632 1.00 . A A . 9 ILE N 1 1 2 513 1 1 9 ILE O O 0.337 2.942 1.392 1.00 . A A . 9 ILE O 1 1 2 514 1 1 10 LEU C C 0.193 0.250 0.132 1.00 . A A . 10 LEU C 1 1 2 515 1 1 10 LEU CA C -1.023 0.511 1.001 1.00 . A A . 10 LEU CA 1 1 2 516 1 1 10 LEU CB C -2.106 -0.533 0.718 1.00 . A A . 10 LEU CB 1 1 2 517 1 1 10 LEU CD1 C -1.298 -2.317 2.314 1.00 . A A . 10 LEU CD1 1 1 2 518 1 1 10 LEU CD2 C -2.833 -2.905 0.430 1.00 . A A . 10 LEU CD2 1 1 2 519 1 1 10 LEU CG C -1.703 -2.003 0.879 1.00 . A A . 10 LEU CG 1 1 2 520 1 1 10 LEU H H -2.454 1.940 0.430 1.00 . A A . 10 LEU H 1 1 2 521 1 1 10 LEU HA H -0.740 0.448 2.041 1.00 . A A . 10 LEU HA 1 1 2 522 1 1 10 LEU HB2 H -2.936 -0.339 1.383 1.00 . A A . 10 LEU HB2 1 1 2 523 1 1 10 LEU HB3 H -2.444 -0.387 -0.297 1.00 . A A . 10 LEU HB3 1 1 2 524 1 1 10 LEU HD11 H -2.125 -2.105 2.976 1.00 . A A . 10 LEU HD11 1 1 2 525 1 1 10 LEU HD12 H -0.448 -1.714 2.591 1.00 . A A . 10 LEU HD12 1 1 2 526 1 1 10 LEU HD13 H -1.036 -3.362 2.393 1.00 . A A . 10 LEU HD13 1 1 2 527 1 1 10 LEU HD21 H -2.550 -3.937 0.570 1.00 . A A . 10 LEU HD21 1 1 2 528 1 1 10 LEU HD22 H -3.042 -2.727 -0.615 1.00 . A A . 10 LEU HD22 1 1 2 529 1 1 10 LEU HD23 H -3.712 -2.690 1.015 1.00 . A A . 10 LEU HD23 1 1 2 530 1 1 10 LEU HG H -0.847 -2.199 0.249 1.00 . A A . 10 LEU HG 1 1 2 531 1 1 10 LEU N N -1.530 1.842 0.756 1.00 . A A . 10 LEU N 1 1 2 532 1 1 10 LEU O O 1.209 -0.202 0.619 1.00 . A A . 10 LEU O 1 1 2 533 1 1 11 LYS C C 2.390 1.199 -1.683 1.00 . A A . 11 LYS C 1 1 2 534 1 1 11 LYS CA C 1.182 0.386 -2.084 1.00 . A A . 11 LYS CA 1 1 2 535 1 1 11 LYS CB C 0.772 0.727 -3.514 1.00 . A A . 11 LYS CB 1 1 2 536 1 1 11 LYS CD C 0.154 -1.663 -4.121 1.00 . A A . 11 LYS CD 1 1 2 537 1 1 11 LYS CE C 1.464 -1.877 -4.876 1.00 . A A . 11 LYS CE 1 1 2 538 1 1 11 LYS CG C -0.286 -0.197 -4.110 1.00 . A A . 11 LYS CG 1 1 2 539 1 1 11 LYS H H -0.777 0.919 -1.477 1.00 . A A . 11 LYS H 1 1 2 540 1 1 11 LYS HA H 1.462 -0.655 -2.048 1.00 . A A . 11 LYS HA 1 1 2 541 1 1 11 LYS HB2 H 0.378 1.734 -3.522 1.00 . A A . 11 LYS HB2 1 1 2 542 1 1 11 LYS HB3 H 1.648 0.697 -4.145 1.00 . A A . 11 LYS HB3 1 1 2 543 1 1 11 LYS HD2 H 0.273 -2.008 -3.105 1.00 . A A . 11 LYS HD2 1 1 2 544 1 1 11 LYS HD3 H -0.623 -2.241 -4.598 1.00 . A A . 11 LYS HD3 1 1 2 545 1 1 11 LYS HE2 H 2.245 -1.329 -4.370 1.00 . A A . 11 LYS HE2 1 1 2 546 1 1 11 LYS HE3 H 1.704 -2.929 -4.854 1.00 . A A . 11 LYS HE3 1 1 2 547 1 1 11 LYS HG2 H -1.188 -0.114 -3.522 1.00 . A A . 11 LYS HG2 1 1 2 548 1 1 11 LYS HG3 H -0.494 0.114 -5.123 1.00 . A A . 11 LYS HG3 1 1 2 549 1 1 11 LYS HZ1 H 0.693 -1.975 -6.825 1.00 . A A . 11 LYS HZ1 1 1 2 550 1 1 11 LYS HZ2 H 2.320 -1.548 -6.745 1.00 . A A . 11 LYS HZ2 1 1 2 551 1 1 11 LYS HZ3 H 1.153 -0.417 -6.365 1.00 . A A . 11 LYS HZ3 1 1 2 552 1 1 11 LYS N N 0.083 0.569 -1.149 1.00 . A A . 11 LYS N 1 1 2 553 1 1 11 LYS NZ N 1.395 -1.425 -6.287 1.00 . A A . 11 LYS NZ 1 1 2 554 1 1 11 LYS O O 3.518 0.775 -1.876 1.00 . A A . 11 LYS O 1 1 2 555 1 1 12 ARG C C 3.947 2.540 0.530 1.00 . A A . 12 ARG C 1 1 2 556 1 1 12 ARG CA C 3.229 3.184 -0.646 1.00 . A A . 12 ARG CA 1 1 2 557 1 1 12 ARG CB C 2.760 4.598 -0.328 1.00 . A A . 12 ARG CB 1 1 2 558 1 1 12 ARG CD C 3.783 5.669 -2.353 1.00 . A A . 12 ARG CD 1 1 2 559 1 1 12 ARG CG C 2.496 5.453 -1.563 1.00 . A A . 12 ARG CG 1 1 2 560 1 1 12 ARG CZ C 6.149 6.066 -1.595 1.00 . A A . 12 ARG CZ 1 1 2 561 1 1 12 ARG H H 1.223 2.658 -1.027 1.00 . A A . 12 ARG H 1 1 2 562 1 1 12 ARG HA H 3.946 3.231 -1.451 1.00 . A A . 12 ARG HA 1 1 2 563 1 1 12 ARG HB2 H 1.847 4.538 0.244 1.00 . A A . 12 ARG HB2 1 1 2 564 1 1 12 ARG HB3 H 3.517 5.090 0.266 1.00 . A A . 12 ARG HB3 1 1 2 565 1 1 12 ARG HD2 H 4.141 4.726 -2.736 1.00 . A A . 12 ARG HD2 1 1 2 566 1 1 12 ARG HD3 H 3.573 6.331 -3.180 1.00 . A A . 12 ARG HD3 1 1 2 567 1 1 12 ARG HE H 4.470 6.907 -0.834 1.00 . A A . 12 ARG HE 1 1 2 568 1 1 12 ARG HG2 H 1.774 4.951 -2.191 1.00 . A A . 12 ARG HG2 1 1 2 569 1 1 12 ARG HG3 H 2.108 6.412 -1.253 1.00 . A A . 12 ARG HG3 1 1 2 570 1 1 12 ARG HH11 H 6.065 4.816 -3.216 1.00 . A A . 12 ARG HH11 1 1 2 571 1 1 12 ARG HH12 H 7.630 5.071 -2.630 1.00 . A A . 12 ARG HH12 1 1 2 572 1 1 12 ARG HH21 H 6.648 7.281 -0.016 1.00 . A A . 12 ARG HH21 1 1 2 573 1 1 12 ARG HH22 H 7.964 6.538 -0.795 1.00 . A A . 12 ARG HH22 1 1 2 574 1 1 12 ARG N N 2.153 2.358 -1.123 1.00 . A A . 12 ARG N 1 1 2 575 1 1 12 ARG NE N 4.825 6.287 -1.512 1.00 . A A . 12 ARG NE 1 1 2 576 1 1 12 ARG NH1 N 6.649 5.268 -2.538 1.00 . A A . 12 ARG NH1 1 1 2 577 1 1 12 ARG NH2 N 6.970 6.664 -0.740 1.00 . A A . 12 ARG NH2 1 1 2 578 1 1 12 ARG O O 5.146 2.266 0.436 1.00 . A A . 12 ARG O 1 1 2 579 1 1 13 ILE C C 4.465 0.256 2.437 1.00 . A A . 13 ILE C 1 1 2 580 1 1 13 ILE CA C 3.833 1.607 2.785 1.00 . A A . 13 ILE CA 1 1 2 581 1 1 13 ILE CB C 2.864 1.466 4.006 1.00 . A A . 13 ILE CB 1 1 2 582 1 1 13 ILE CD1 C 0.707 0.348 4.846 1.00 . A A . 13 ILE CD1 1 1 2 583 1 1 13 ILE CG1 C 1.642 0.592 3.674 1.00 . A A . 13 ILE CG1 1 1 2 584 1 1 13 ILE CG2 C 2.425 2.842 4.494 1.00 . A A . 13 ILE CG2 1 1 2 585 1 1 13 ILE H H 2.243 2.394 1.589 1.00 . A A . 13 ILE H 1 1 2 586 1 1 13 ILE HA H 4.646 2.263 3.059 1.00 . A A . 13 ILE HA 1 1 2 587 1 1 13 ILE HB H 3.422 1.005 4.809 1.00 . A A . 13 ILE HB 1 1 2 588 1 1 13 ILE HD11 H 1.245 -0.154 5.637 1.00 . A A . 13 ILE HD11 1 1 2 589 1 1 13 ILE HD12 H -0.120 -0.267 4.526 1.00 . A A . 13 ILE HD12 1 1 2 590 1 1 13 ILE HD13 H 0.332 1.294 5.209 1.00 . A A . 13 ILE HD13 1 1 2 591 1 1 13 ILE HG12 H 1.074 1.080 2.897 1.00 . A A . 13 ILE HG12 1 1 2 592 1 1 13 ILE HG13 H 1.984 -0.366 3.309 1.00 . A A . 13 ILE HG13 1 1 2 593 1 1 13 ILE HG21 H 3.292 3.403 4.806 1.00 . A A . 13 ILE HG21 1 1 2 594 1 1 13 ILE HG22 H 1.747 2.730 5.327 1.00 . A A . 13 ILE HG22 1 1 2 595 1 1 13 ILE HG23 H 1.927 3.364 3.690 1.00 . A A . 13 ILE HG23 1 1 2 596 1 1 13 ILE N N 3.211 2.220 1.602 1.00 . A A . 13 ILE N 1 1 2 597 1 1 13 ILE O O 5.527 -0.104 2.966 1.00 . A A . 13 ILE O 1 1 2 598 1 1 14 LEU C C 5.600 -1.492 0.178 1.00 . A A . 14 LEU C 1 1 2 599 1 1 14 LEU CA C 4.343 -1.708 1.011 1.00 . A A . 14 LEU CA 1 1 2 600 1 1 14 LEU CB C 3.276 -2.436 0.175 1.00 . A A . 14 LEU CB 1 1 2 601 1 1 14 LEU CD1 C 3.957 -4.813 0.688 1.00 . A A . 14 LEU CD1 1 1 2 602 1 1 14 LEU CD2 C 2.582 -4.311 -1.344 1.00 . A A . 14 LEU CD2 1 1 2 603 1 1 14 LEU CG C 3.669 -3.800 -0.413 1.00 . A A . 14 LEU CG 1 1 2 604 1 1 14 LEU H H 2.984 -0.118 1.146 1.00 . A A . 14 LEU H 1 1 2 605 1 1 14 LEU HA H 4.588 -2.320 1.866 1.00 . A A . 14 LEU HA 1 1 2 606 1 1 14 LEU HB2 H 2.406 -2.580 0.797 1.00 . A A . 14 LEU HB2 1 1 2 607 1 1 14 LEU HB3 H 3.000 -1.787 -0.642 1.00 . A A . 14 LEU HB3 1 1 2 608 1 1 14 LEU HD11 H 4.774 -4.458 1.299 1.00 . A A . 14 LEU HD11 1 1 2 609 1 1 14 LEU HD12 H 4.227 -5.759 0.244 1.00 . A A . 14 LEU HD12 1 1 2 610 1 1 14 LEU HD13 H 3.078 -4.939 1.301 1.00 . A A . 14 LEU HD13 1 1 2 611 1 1 14 LEU HD21 H 2.437 -3.607 -2.151 1.00 . A A . 14 LEU HD21 1 1 2 612 1 1 14 LEU HD22 H 1.659 -4.423 -0.795 1.00 . A A . 14 LEU HD22 1 1 2 613 1 1 14 LEU HD23 H 2.876 -5.267 -1.750 1.00 . A A . 14 LEU HD23 1 1 2 614 1 1 14 LEU HG H 4.576 -3.678 -0.987 1.00 . A A . 14 LEU HG 1 1 2 615 1 1 14 LEU N N 3.839 -0.448 1.503 1.00 . A A . 14 LEU N 1 1 2 616 1 1 14 LEU O O 6.501 -2.311 0.213 1.00 . A A . 14 LEU O 1 1 2 617 1 1 15 ALA C C 8.085 0.134 -0.556 1.00 . A A . 15 ALA C 1 1 2 618 1 1 15 ALA CA C 6.842 -0.095 -1.382 1.00 . A A . 15 ALA CA 1 1 2 619 1 1 15 ALA CB C 6.586 1.100 -2.280 1.00 . A A . 15 ALA CB 1 1 2 620 1 1 15 ALA H H 4.992 0.337 -0.467 1.00 . A A . 15 ALA H 1 1 2 621 1 1 15 ALA HA H 6.992 -0.967 -2.003 1.00 . A A . 15 ALA HA 1 1 2 622 1 1 15 ALA HB1 H 7.441 1.257 -2.919 1.00 . A A . 15 ALA HB1 1 1 2 623 1 1 15 ALA HB2 H 6.426 1.978 -1.673 1.00 . A A . 15 ALA HB2 1 1 2 624 1 1 15 ALA HB3 H 5.712 0.916 -2.886 1.00 . A A . 15 ALA HB3 1 1 2 625 1 1 15 ALA N N 5.692 -0.358 -0.521 1.00 . A A . 15 ALA N 1 1 2 626 1 1 15 ALA O O 9.205 -0.098 -1.011 1.00 . A A . 15 ALA O 1 1 2 627 1 1 16 LYS C C 9.600 -0.472 2.020 1.00 . A A . 16 LYS C 1 1 2 628 1 1 16 LYS CA C 8.967 0.838 1.563 1.00 . A A . 16 LYS CA 1 1 2 629 1 1 16 LYS CB C 8.473 1.624 2.765 1.00 . A A . 16 LYS CB 1 1 2 630 1 1 16 LYS CD C 7.458 3.730 3.696 1.00 . A A . 16 LYS CD 1 1 2 631 1 1 16 LYS CE C 8.596 3.925 4.686 1.00 . A A . 16 LYS CE 1 1 2 632 1 1 16 LYS CG C 7.933 3.012 2.440 1.00 . A A . 16 LYS CG 1 1 2 633 1 1 16 LYS H H 6.961 0.776 0.935 1.00 . A A . 16 LYS H 1 1 2 634 1 1 16 LYS HA H 9.709 1.429 1.048 1.00 . A A . 16 LYS HA 1 1 2 635 1 1 16 LYS HB2 H 7.678 1.058 3.229 1.00 . A A . 16 LYS HB2 1 1 2 636 1 1 16 LYS HB3 H 9.291 1.719 3.461 1.00 . A A . 16 LYS HB3 1 1 2 637 1 1 16 LYS HD2 H 7.068 4.699 3.420 1.00 . A A . 16 LYS HD2 1 1 2 638 1 1 16 LYS HD3 H 6.678 3.146 4.162 1.00 . A A . 16 LYS HD3 1 1 2 639 1 1 16 LYS HE2 H 9.016 2.961 4.930 1.00 . A A . 16 LYS HE2 1 1 2 640 1 1 16 LYS HE3 H 9.351 4.535 4.214 1.00 . A A . 16 LYS HE3 1 1 2 641 1 1 16 LYS HG2 H 8.717 3.594 1.977 1.00 . A A . 16 LYS HG2 1 1 2 642 1 1 16 LYS HG3 H 7.105 2.913 1.754 1.00 . A A . 16 LYS HG3 1 1 2 643 1 1 16 LYS HZ1 H 8.972 4.662 6.574 1.00 . A A . 16 LYS HZ1 1 1 2 644 1 1 16 LYS HZ2 H 7.471 3.949 6.427 1.00 . A A . 16 LYS HZ2 1 1 2 645 1 1 16 LYS HZ3 H 7.742 5.504 5.783 1.00 . A A . 16 LYS HZ3 1 1 2 646 1 1 16 LYS N N 7.884 0.590 0.656 1.00 . A A . 16 LYS N 1 1 2 647 1 1 16 LYS NZ N 8.154 4.562 5.940 1.00 . A A . 16 LYS NZ 1 1 2 648 1 1 16 LYS O O 10.823 -0.584 2.109 1.00 . A A . 16 LYS O 1 1 2 649 1 1 17 ILE C C 9.573 -3.716 1.626 1.00 . A A . 17 ILE C 1 1 2 650 1 1 17 ILE CA C 9.269 -2.732 2.771 1.00 . A A . 17 ILE CA 1 1 2 651 1 1 17 ILE CB C 8.306 -3.375 3.837 1.00 . A A . 17 ILE CB 1 1 2 652 1 1 17 ILE CD1 C 8.015 -5.392 5.414 1.00 . A A . 17 ILE CD1 1 1 2 653 1 1 17 ILE CG1 C 8.869 -4.718 4.355 1.00 . A A . 17 ILE CG1 1 1 2 654 1 1 17 ILE CG2 C 6.884 -3.537 3.296 1.00 . A A . 17 ILE CG2 1 1 2 655 1 1 17 ILE H H 7.818 -1.328 2.123 1.00 . A A . 17 ILE H 1 1 2 656 1 1 17 ILE HA H 10.211 -2.517 3.258 1.00 . A A . 17 ILE HA 1 1 2 657 1 1 17 ILE HB H 8.242 -2.687 4.667 1.00 . A A . 17 ILE HB 1 1 2 658 1 1 17 ILE HD11 H 8.478 -6.321 5.713 1.00 . A A . 17 ILE HD11 1 1 2 659 1 1 17 ILE HD12 H 7.033 -5.591 5.011 1.00 . A A . 17 ILE HD12 1 1 2 660 1 1 17 ILE HD13 H 7.926 -4.741 6.272 1.00 . A A . 17 ILE HD13 1 1 2 661 1 1 17 ILE HG12 H 8.963 -5.402 3.525 1.00 . A A . 17 ILE HG12 1 1 2 662 1 1 17 ILE HG13 H 9.848 -4.546 4.776 1.00 . A A . 17 ILE HG13 1 1 2 663 1 1 17 ILE HG21 H 6.259 -3.988 4.053 1.00 . A A . 17 ILE HG21 1 1 2 664 1 1 17 ILE HG22 H 6.903 -4.168 2.419 1.00 . A A . 17 ILE HG22 1 1 2 665 1 1 17 ILE HG23 H 6.488 -2.567 3.033 1.00 . A A . 17 ILE HG23 1 1 2 666 1 1 17 ILE N N 8.777 -1.461 2.278 1.00 . A A . 17 ILE N 1 1 2 667 1 1 17 ILE O O 10.581 -4.426 1.654 1.00 . A A . 17 ILE O 1 1 2 668 1 1 18 PHE C C 9.606 -4.001 -1.651 1.00 . A A . 18 PHE C 1 1 2 669 1 1 18 PHE CA C 8.895 -4.661 -0.476 1.00 . A A . 18 PHE CA 1 1 2 670 1 1 18 PHE CB C 7.533 -5.250 -0.883 1.00 . A A . 18 PHE CB 1 1 2 671 1 1 18 PHE CD1 C 8.158 -7.603 -1.485 1.00 . A A . 18 PHE CD1 1 1 2 672 1 1 18 PHE CD2 C 7.083 -6.266 -3.134 1.00 . A A . 18 PHE CD2 1 1 2 673 1 1 18 PHE CE1 C 8.202 -8.661 -2.363 1.00 . A A . 18 PHE CE1 1 1 2 674 1 1 18 PHE CE2 C 7.127 -7.322 -4.019 1.00 . A A . 18 PHE CE2 1 1 2 675 1 1 18 PHE CG C 7.600 -6.392 -1.859 1.00 . A A . 18 PHE CG 1 1 2 676 1 1 18 PHE CZ C 7.688 -8.521 -3.631 1.00 . A A . 18 PHE CZ 1 1 2 677 1 1 18 PHE H H 7.999 -3.084 0.555 1.00 . A A . 18 PHE H 1 1 2 678 1 1 18 PHE HA H 9.525 -5.462 -0.117 1.00 . A A . 18 PHE HA 1 1 2 679 1 1 18 PHE HB2 H 7.020 -5.603 -0.001 1.00 . A A . 18 PHE HB2 1 1 2 680 1 1 18 PHE HB3 H 6.942 -4.463 -1.331 1.00 . A A . 18 PHE HB3 1 1 2 681 1 1 18 PHE HD1 H 8.566 -7.715 -0.492 1.00 . A A . 18 PHE HD1 1 1 2 682 1 1 18 PHE HD2 H 6.644 -5.326 -3.438 1.00 . A A . 18 PHE HD2 1 1 2 683 1 1 18 PHE HE1 H 8.641 -9.600 -2.057 1.00 . A A . 18 PHE HE1 1 1 2 684 1 1 18 PHE HE2 H 6.723 -7.211 -5.015 1.00 . A A . 18 PHE HE2 1 1 2 685 1 1 18 PHE HZ H 7.722 -9.353 -4.318 1.00 . A A . 18 PHE HZ 1 1 2 686 1 1 18 PHE N N 8.742 -3.729 0.611 1.00 . A A . 18 PHE N 1 1 2 687 1 1 18 PHE O O 8.984 -3.496 -2.598 1.00 . A A . 18 PHE O 1 1 2 688 1 1 19 LYS C C 12.871 -4.313 -2.894 1.00 . A A . 19 LYS C 1 1 2 689 1 1 19 LYS CA C 11.729 -3.374 -2.547 1.00 . A A . 19 LYS CA 1 1 2 690 1 1 19 LYS CB C 12.181 -1.925 -2.195 1.00 . A A . 19 LYS CB 1 1 2 691 1 1 19 LYS CD C 13.533 -2.339 0.018 1.00 . A A . 19 LYS CD 1 1 2 692 1 1 19 LYS CE C 14.939 -1.828 -0.366 1.00 . A A . 19 LYS CE 1 1 2 693 1 1 19 LYS CG C 12.374 -1.607 -0.687 1.00 . A A . 19 LYS CG 1 1 2 694 1 1 19 LYS H H 11.335 -4.266 -0.728 1.00 . A A . 19 LYS H 1 1 2 695 1 1 19 LYS HA H 11.101 -3.326 -3.425 1.00 . A A . 19 LYS HA 1 1 2 696 1 1 19 LYS HB2 H 13.121 -1.742 -2.694 1.00 . A A . 19 LYS HB2 1 1 2 697 1 1 19 LYS HB3 H 11.448 -1.239 -2.595 1.00 . A A . 19 LYS HB3 1 1 2 698 1 1 19 LYS HD2 H 13.415 -2.224 1.084 1.00 . A A . 19 LYS HD2 1 1 2 699 1 1 19 LYS HD3 H 13.463 -3.388 -0.230 1.00 . A A . 19 LYS HD3 1 1 2 700 1 1 19 LYS HE2 H 14.985 -0.766 -0.180 1.00 . A A . 19 LYS HE2 1 1 2 701 1 1 19 LYS HE3 H 15.657 -2.325 0.269 1.00 . A A . 19 LYS HE3 1 1 2 702 1 1 19 LYS HG2 H 12.541 -0.548 -0.581 1.00 . A A . 19 LYS HG2 1 1 2 703 1 1 19 LYS HG3 H 11.449 -1.852 -0.184 1.00 . A A . 19 LYS HG3 1 1 2 704 1 1 19 LYS HZ1 H 16.323 -1.944 -1.931 1.00 . A A . 19 LYS HZ1 1 1 2 705 1 1 19 LYS HZ2 H 14.811 -1.398 -2.410 1.00 . A A . 19 LYS HZ2 1 1 2 706 1 1 19 LYS HZ3 H 15.033 -3.039 -2.063 1.00 . A A . 19 LYS HZ3 1 1 2 707 1 1 19 LYS N N 10.897 -3.930 -1.537 1.00 . A A . 19 LYS N 1 1 2 708 1 1 19 LYS NZ N 15.302 -2.067 -1.785 1.00 . A A . 19 LYS NZ 1 1 2 709 1 1 19 LYS O O 13.917 -4.271 -2.253 1.00 . A A . 19 LYS O 1 1 2 710 1 1 19 LYS OXT O 12.709 -5.121 -3.816 1.00 . A A . 19 LYS OXT 1 1 3 711 1 1 1 PRO C C -16.820 -1.684 10.175 1.00 . A A . 1 PRO C 1 1 3 712 1 1 1 PRO CA C -18.062 -2.028 10.960 1.00 . A A . 1 PRO CA 1 1 3 713 1 1 1 PRO CB C -19.308 -1.710 10.134 1.00 . A A . 1 PRO CB 1 1 3 714 1 1 1 PRO CD C -19.420 -0.537 12.223 1.00 . A A . 1 PRO CD 1 1 3 715 1 1 1 PRO CG C -19.853 -0.474 10.776 1.00 . A A . 1 PRO CG 1 1 3 716 1 1 1 PRO H2 H -18.160 -0.209 11.954 1.00 . A A . 1 PRO H2 1 1 3 717 1 1 1 PRO H3 H -17.107 -1.317 12.519 1.00 . A A . 1 PRO H3 1 1 3 718 1 1 1 PRO HA H -18.067 -3.070 11.237 1.00 . A A . 1 PRO HA 1 1 3 719 1 1 1 PRO HB2 H -19.028 -1.542 9.105 1.00 . A A . 1 PRO HB2 1 1 3 720 1 1 1 PRO HB3 H -20.011 -2.528 10.197 1.00 . A A . 1 PRO HB3 1 1 3 721 1 1 1 PRO HD2 H -19.401 0.459 12.648 1.00 . A A . 1 PRO HD2 1 1 3 722 1 1 1 PRO HD3 H -20.158 -1.121 12.755 1.00 . A A . 1 PRO HD3 1 1 3 723 1 1 1 PRO HG2 H -19.441 0.401 10.298 1.00 . A A . 1 PRO HG2 1 1 3 724 1 1 1 PRO HG3 H -20.931 -0.466 10.707 1.00 . A A . 1 PRO HG3 1 1 3 725 1 1 1 PRO N N -18.079 -1.221 12.156 1.00 . A A . 1 PRO N 1 1 3 726 1 1 1 PRO O O -16.090 -0.769 10.558 1.00 . A A . 1 PRO O 1 1 3 727 1 1 2 MET C C -15.819 -2.037 6.807 1.00 . A A . 2 MET C 1 1 3 728 1 1 2 MET CA C -15.411 -2.126 8.267 1.00 . A A . 2 MET CA 1 1 3 729 1 1 2 MET CB C -14.299 -3.181 8.463 1.00 . A A . 2 MET CB 1 1 3 730 1 1 2 MET CE C -12.239 -5.158 6.919 1.00 . A A . 2 MET CE 1 1 3 731 1 1 2 MET CG C -14.693 -4.614 8.122 1.00 . A A . 2 MET CG 1 1 3 732 1 1 2 MET H H -17.188 -3.106 8.826 1.00 . A A . 2 MET H 1 1 3 733 1 1 2 MET HA H -15.032 -1.158 8.563 1.00 . A A . 2 MET HA 1 1 3 734 1 1 2 MET HB2 H -13.463 -2.912 7.835 1.00 . A A . 2 MET HB2 1 1 3 735 1 1 2 MET HB3 H -13.978 -3.153 9.493 1.00 . A A . 2 MET HB3 1 1 3 736 1 1 2 MET HE1 H -12.778 -5.178 5.984 1.00 . A A . 2 MET HE1 1 1 3 737 1 1 2 MET HE2 H -11.367 -5.791 6.841 1.00 . A A . 2 MET HE2 1 1 3 738 1 1 2 MET HE3 H -11.927 -4.148 7.139 1.00 . A A . 2 MET HE3 1 1 3 739 1 1 2 MET HG2 H -15.467 -4.935 8.802 1.00 . A A . 2 MET HG2 1 1 3 740 1 1 2 MET HG3 H -15.076 -4.632 7.114 1.00 . A A . 2 MET HG3 1 1 3 741 1 1 2 MET N N -16.572 -2.390 9.097 1.00 . A A . 2 MET N 1 1 3 742 1 1 2 MET O O -16.952 -2.381 6.453 1.00 . A A . 2 MET O 1 1 3 743 1 1 2 MET SD S -13.302 -5.774 8.236 1.00 . A A . 2 MET SD 1 1 3 744 1 1 3 ALA C C -13.786 -1.512 3.852 1.00 . A A . 3 ALA C 1 1 3 745 1 1 3 ALA CA C -15.129 -1.399 4.567 1.00 . A A . 3 ALA CA 1 1 3 746 1 1 3 ALA CB C -15.769 -0.031 4.323 1.00 . A A . 3 ALA CB 1 1 3 747 1 1 3 ALA H H -14.003 -1.396 6.320 1.00 . A A . 3 ALA H 1 1 3 748 1 1 3 ALA HA H -15.794 -2.175 4.218 1.00 . A A . 3 ALA HA 1 1 3 749 1 1 3 ALA HB1 H -16.699 0.032 4.868 1.00 . A A . 3 ALA HB1 1 1 3 750 1 1 3 ALA HB2 H -15.970 0.089 3.269 1.00 . A A . 3 ALA HB2 1 1 3 751 1 1 3 ALA HB3 H -15.103 0.751 4.652 1.00 . A A . 3 ALA HB3 1 1 3 752 1 1 3 ALA N N -14.905 -1.590 5.982 1.00 . A A . 3 ALA N 1 1 3 753 1 1 3 ALA O O -12.857 -2.135 4.379 1.00 . A A . 3 ALA O 1 1 3 754 1 1 4 ARG C C -11.509 0.166 2.290 1.00 . A A . 4 ARG C 1 1 3 755 1 1 4 ARG CA C -12.431 -0.996 1.916 1.00 . A A . 4 ARG CA 1 1 3 756 1 1 4 ARG CB C -12.710 -1.010 0.406 1.00 . A A . 4 ARG CB 1 1 3 757 1 1 4 ARG CD C -12.586 -3.479 0.043 1.00 . A A . 4 ARG CD 1 1 3 758 1 1 4 ARG CG C -13.451 -2.245 -0.076 1.00 . A A . 4 ARG CG 1 1 3 759 1 1 4 ARG CZ C -10.150 -3.783 -0.419 1.00 . A A . 4 ARG CZ 1 1 3 760 1 1 4 ARG H H -14.424 -0.435 2.294 1.00 . A A . 4 ARG H 1 1 3 761 1 1 4 ARG HA H -11.930 -1.913 2.186 1.00 . A A . 4 ARG HA 1 1 3 762 1 1 4 ARG HB2 H -13.285 -0.145 0.119 1.00 . A A . 4 ARG HB2 1 1 3 763 1 1 4 ARG HB3 H -11.762 -0.976 -0.111 1.00 . A A . 4 ARG HB3 1 1 3 764 1 1 4 ARG HD2 H -12.313 -3.622 1.077 1.00 . A A . 4 ARG HD2 1 1 3 765 1 1 4 ARG HD3 H -13.147 -4.335 -0.303 1.00 . A A . 4 ARG HD3 1 1 3 766 1 1 4 ARG HE H -11.551 -2.924 -1.640 1.00 . A A . 4 ARG HE 1 1 3 767 1 1 4 ARG HG2 H -14.333 -2.381 0.531 1.00 . A A . 4 ARG HG2 1 1 3 768 1 1 4 ARG HG3 H -13.733 -2.104 -1.109 1.00 . A A . 4 ARG HG3 1 1 3 769 1 1 4 ARG HH11 H -10.662 -4.416 1.478 1.00 . A A . 4 ARG HH11 1 1 3 770 1 1 4 ARG HH12 H -9.035 -4.652 1.068 1.00 . A A . 4 ARG HH12 1 1 3 771 1 1 4 ARG HH21 H -9.269 -3.271 -2.184 1.00 . A A . 4 ARG HH21 1 1 3 772 1 1 4 ARG HH22 H -8.214 -3.972 -1.048 1.00 . A A . 4 ARG HH22 1 1 3 773 1 1 4 ARG N N -13.671 -0.942 2.672 1.00 . A A . 4 ARG N 1 1 3 774 1 1 4 ARG NE N -11.375 -3.349 -0.768 1.00 . A A . 4 ARG NE 1 1 3 775 1 1 4 ARG NH1 N -9.938 -4.315 0.788 1.00 . A A . 4 ARG NH1 1 1 3 776 1 1 4 ARG NH2 N -9.144 -3.670 -1.272 1.00 . A A . 4 ARG NH2 1 1 3 777 1 1 4 ARG O O -11.869 1.026 3.113 1.00 . A A . 4 ARG O 1 1 3 778 1 1 5 ASN C C -8.718 1.536 0.609 1.00 . A A . 5 ASN C 1 1 3 779 1 1 5 ASN CA C -9.335 1.207 1.958 1.00 . A A . 5 ASN CA 1 1 3 780 1 1 5 ASN CB C -8.258 0.629 2.914 1.00 . A A . 5 ASN CB 1 1 3 781 1 1 5 ASN CG C -7.271 1.653 3.506 1.00 . A A . 5 ASN CG 1 1 3 782 1 1 5 ASN H H -10.110 -0.490 1.029 1.00 . A A . 5 ASN H 1 1 3 783 1 1 5 ASN HA H -9.800 2.079 2.390 1.00 . A A . 5 ASN HA 1 1 3 784 1 1 5 ASN HB2 H -8.760 0.152 3.741 1.00 . A A . 5 ASN HB2 1 1 3 785 1 1 5 ASN HB3 H -7.697 -0.120 2.375 1.00 . A A . 5 ASN HB3 1 1 3 786 1 1 5 ASN HD21 H -6.968 0.475 5.063 1.00 . A A . 5 ASN HD21 1 1 3 787 1 1 5 ASN HD22 H -6.107 1.975 5.058 1.00 . A A . 5 ASN HD22 1 1 3 788 1 1 5 ASN N N -10.341 0.187 1.698 1.00 . A A . 5 ASN N 1 1 3 789 1 1 5 ASN ND2 N -6.725 1.332 4.653 1.00 . A A . 5 ASN ND2 1 1 3 790 1 1 5 ASN O O -8.824 0.723 -0.322 1.00 . A A . 5 ASN O 1 1 3 791 1 1 5 ASN OD1 O -6.984 2.695 2.931 1.00 . A A . 5 ASN OD1 1 1 3 792 1 1 6 LYS C C -6.127 2.443 -0.927 1.00 . A A . 6 LYS C 1 1 3 793 1 1 6 LYS CA C -7.507 3.096 -0.756 1.00 . A A . 6 LYS CA 1 1 3 794 1 1 6 LYS CB C -7.452 4.630 -0.860 1.00 . A A . 6 LYS CB 1 1 3 795 1 1 6 LYS CD C -6.931 6.838 0.170 1.00 . A A . 6 LYS CD 1 1 3 796 1 1 6 LYS CE C -6.384 7.578 1.377 1.00 . A A . 6 LYS CE 1 1 3 797 1 1 6 LYS CG C -6.787 5.340 0.308 1.00 . A A . 6 LYS CG 1 1 3 798 1 1 6 LYS H H -8.027 3.256 1.278 1.00 . A A . 6 LYS H 1 1 3 799 1 1 6 LYS HA H -8.149 2.716 -1.538 1.00 . A A . 6 LYS HA 1 1 3 800 1 1 6 LYS HB2 H -6.901 4.891 -1.750 1.00 . A A . 6 LYS HB2 1 1 3 801 1 1 6 LYS HB3 H -8.461 5.005 -0.955 1.00 . A A . 6 LYS HB3 1 1 3 802 1 1 6 LYS HD2 H -6.391 7.157 -0.707 1.00 . A A . 6 LYS HD2 1 1 3 803 1 1 6 LYS HD3 H -7.977 7.078 0.054 1.00 . A A . 6 LYS HD3 1 1 3 804 1 1 6 LYS HE2 H -6.906 7.245 2.262 1.00 . A A . 6 LYS HE2 1 1 3 805 1 1 6 LYS HE3 H -5.332 7.356 1.474 1.00 . A A . 6 LYS HE3 1 1 3 806 1 1 6 LYS HG2 H -7.235 5.013 1.234 1.00 . A A . 6 LYS HG2 1 1 3 807 1 1 6 LYS HG3 H -5.737 5.088 0.308 1.00 . A A . 6 LYS HG3 1 1 3 808 1 1 6 LYS HZ1 H -6.023 9.395 0.419 1.00 . A A . 6 LYS HZ1 1 1 3 809 1 1 6 LYS HZ2 H -6.230 9.545 2.080 1.00 . A A . 6 LYS HZ2 1 1 3 810 1 1 6 LYS HZ3 H -7.556 9.281 1.085 1.00 . A A . 6 LYS HZ3 1 1 3 811 1 1 6 LYS N N -8.113 2.684 0.484 1.00 . A A . 6 LYS N 1 1 3 812 1 1 6 LYS NZ N -6.558 9.036 1.236 1.00 . A A . 6 LYS NZ 1 1 3 813 1 1 6 LYS O O -5.219 2.639 -0.108 1.00 . A A . 6 LYS O 1 1 3 814 1 1 7 PRO C C -3.479 1.733 -2.454 1.00 . A A . 7 PRO C 1 1 3 815 1 1 7 PRO CA C -4.729 0.884 -2.236 1.00 . A A . 7 PRO CA 1 1 3 816 1 1 7 PRO CB C -5.050 0.066 -3.489 1.00 . A A . 7 PRO CB 1 1 3 817 1 1 7 PRO CD C -6.922 1.492 -3.110 1.00 . A A . 7 PRO CD 1 1 3 818 1 1 7 PRO CG C -6.113 0.837 -4.188 1.00 . A A . 7 PRO CG 1 1 3 819 1 1 7 PRO HA H -4.549 0.211 -1.411 1.00 . A A . 7 PRO HA 1 1 3 820 1 1 7 PRO HB2 H -4.159 -0.024 -4.092 1.00 . A A . 7 PRO HB2 1 1 3 821 1 1 7 PRO HB3 H -5.398 -0.915 -3.201 1.00 . A A . 7 PRO HB3 1 1 3 822 1 1 7 PRO HD2 H -7.296 2.444 -3.455 1.00 . A A . 7 PRO HD2 1 1 3 823 1 1 7 PRO HD3 H -7.734 0.849 -2.803 1.00 . A A . 7 PRO HD3 1 1 3 824 1 1 7 PRO HG2 H -5.664 1.584 -4.825 1.00 . A A . 7 PRO HG2 1 1 3 825 1 1 7 PRO HG3 H -6.732 0.169 -4.770 1.00 . A A . 7 PRO HG3 1 1 3 826 1 1 7 PRO N N -5.946 1.669 -2.010 1.00 . A A . 7 PRO N 1 1 3 827 1 1 7 PRO O O -2.368 1.246 -2.279 1.00 . A A . 7 PRO O 1 1 3 828 1 1 8 LYS C C -1.638 4.049 -1.836 1.00 . A A . 8 LYS C 1 1 3 829 1 1 8 LYS CA C -2.557 3.920 -3.049 1.00 . A A . 8 LYS CA 1 1 3 830 1 1 8 LYS CB C -3.052 5.305 -3.484 1.00 . A A . 8 LYS CB 1 1 3 831 1 1 8 LYS CD C -4.141 6.764 -5.212 1.00 . A A . 8 LYS CD 1 1 3 832 1 1 8 LYS CE C -4.736 6.854 -6.616 1.00 . A A . 8 LYS CE 1 1 3 833 1 1 8 LYS CG C -3.720 5.342 -4.852 1.00 . A A . 8 LYS CG 1 1 3 834 1 1 8 LYS H H -4.596 3.317 -2.878 1.00 . A A . 8 LYS H 1 1 3 835 1 1 8 LYS HA H -1.979 3.495 -3.856 1.00 . A A . 8 LYS HA 1 1 3 836 1 1 8 LYS HB2 H -3.764 5.662 -2.755 1.00 . A A . 8 LYS HB2 1 1 3 837 1 1 8 LYS HB3 H -2.208 5.978 -3.503 1.00 . A A . 8 LYS HB3 1 1 3 838 1 1 8 LYS HD2 H -4.880 7.101 -4.500 1.00 . A A . 8 LYS HD2 1 1 3 839 1 1 8 LYS HD3 H -3.274 7.406 -5.155 1.00 . A A . 8 LYS HD3 1 1 3 840 1 1 8 LYS HE2 H -4.973 7.886 -6.824 1.00 . A A . 8 LYS HE2 1 1 3 841 1 1 8 LYS HE3 H -3.993 6.513 -7.322 1.00 . A A . 8 LYS HE3 1 1 3 842 1 1 8 LYS HG2 H -3.019 4.984 -5.591 1.00 . A A . 8 LYS HG2 1 1 3 843 1 1 8 LYS HG3 H -4.591 4.705 -4.839 1.00 . A A . 8 LYS HG3 1 1 3 844 1 1 8 LYS HZ1 H -6.367 6.171 -7.728 1.00 . A A . 8 LYS HZ1 1 1 3 845 1 1 8 LYS HZ2 H -6.696 6.319 -6.089 1.00 . A A . 8 LYS HZ2 1 1 3 846 1 1 8 LYS HZ3 H -5.775 5.030 -6.649 1.00 . A A . 8 LYS HZ3 1 1 3 847 1 1 8 LYS N N -3.671 3.005 -2.799 1.00 . A A . 8 LYS N 1 1 3 848 1 1 8 LYS NZ N -5.969 6.043 -6.778 1.00 . A A . 8 LYS NZ 1 1 3 849 1 1 8 LYS O O -0.423 3.937 -1.961 1.00 . A A . 8 LYS O 1 1 3 850 1 1 9 ILE C C -0.872 3.054 0.998 1.00 . A A . 9 ILE C 1 1 3 851 1 1 9 ILE CA C -1.413 4.402 0.540 1.00 . A A . 9 ILE CA 1 1 3 852 1 1 9 ILE CB C -2.182 5.102 1.707 1.00 . A A . 9 ILE CB 1 1 3 853 1 1 9 ILE CD1 C -4.201 4.883 3.294 1.00 . A A . 9 ILE CD1 1 1 3 854 1 1 9 ILE CG1 C -3.440 4.305 2.114 1.00 . A A . 9 ILE CG1 1 1 3 855 1 1 9 ILE CG2 C -2.542 6.535 1.318 1.00 . A A . 9 ILE CG2 1 1 3 856 1 1 9 ILE H H -3.195 4.278 -0.605 1.00 . A A . 9 ILE H 1 1 3 857 1 1 9 ILE HA H -0.567 5.016 0.266 1.00 . A A . 9 ILE HA 1 1 3 858 1 1 9 ILE HB H -1.508 5.155 2.550 1.00 . A A . 9 ILE HB 1 1 3 859 1 1 9 ILE HD11 H -3.559 4.900 4.163 1.00 . A A . 9 ILE HD11 1 1 3 860 1 1 9 ILE HD12 H -5.067 4.271 3.498 1.00 . A A . 9 ILE HD12 1 1 3 861 1 1 9 ILE HD13 H -4.517 5.888 3.060 1.00 . A A . 9 ILE HD13 1 1 3 862 1 1 9 ILE HG12 H -4.117 4.260 1.274 1.00 . A A . 9 ILE HG12 1 1 3 863 1 1 9 ILE HG13 H -3.142 3.299 2.370 1.00 . A A . 9 ILE HG13 1 1 3 864 1 1 9 ILE HG21 H -3.076 7.004 2.131 1.00 . A A . 9 ILE HG21 1 1 3 865 1 1 9 ILE HG22 H -3.166 6.522 0.436 1.00 . A A . 9 ILE HG22 1 1 3 866 1 1 9 ILE HG23 H -1.639 7.090 1.110 1.00 . A A . 9 ILE HG23 1 1 3 867 1 1 9 ILE N N -2.217 4.248 -0.662 1.00 . A A . 9 ILE N 1 1 3 868 1 1 9 ILE O O 0.258 2.956 1.462 1.00 . A A . 9 ILE O 1 1 3 869 1 1 10 LEU C C -0.126 0.141 0.417 1.00 . A A . 10 LEU C 1 1 3 870 1 1 10 LEU CA C -1.313 0.671 1.211 1.00 . A A . 10 LEU CA 1 1 3 871 1 1 10 LEU CB C -2.514 -0.266 1.078 1.00 . A A . 10 LEU CB 1 1 3 872 1 1 10 LEU CD1 C -4.867 -0.895 1.655 1.00 . A A . 10 LEU CD1 1 1 3 873 1 1 10 LEU CD2 C -3.457 0.276 3.356 1.00 . A A . 10 LEU CD2 1 1 3 874 1 1 10 LEU CG C -3.767 0.126 1.869 1.00 . A A . 10 LEU CG 1 1 3 875 1 1 10 LEU H H -2.520 2.168 0.338 1.00 . A A . 10 LEU H 1 1 3 876 1 1 10 LEU HA H -1.025 0.719 2.250 1.00 . A A . 10 LEU HA 1 1 3 877 1 1 10 LEU HB2 H -2.778 -0.327 0.033 1.00 . A A . 10 LEU HB2 1 1 3 878 1 1 10 LEU HB3 H -2.206 -1.246 1.410 1.00 . A A . 10 LEU HB3 1 1 3 879 1 1 10 LEU HD11 H -5.138 -0.921 0.610 1.00 . A A . 10 LEU HD11 1 1 3 880 1 1 10 LEU HD12 H -5.726 -0.625 2.250 1.00 . A A . 10 LEU HD12 1 1 3 881 1 1 10 LEU HD13 H -4.515 -1.870 1.959 1.00 . A A . 10 LEU HD13 1 1 3 882 1 1 10 LEU HD21 H -4.365 0.513 3.890 1.00 . A A . 10 LEU HD21 1 1 3 883 1 1 10 LEU HD22 H -2.745 1.075 3.496 1.00 . A A . 10 LEU HD22 1 1 3 884 1 1 10 LEU HD23 H -3.042 -0.645 3.737 1.00 . A A . 10 LEU HD23 1 1 3 885 1 1 10 LEU HG H -4.127 1.076 1.499 1.00 . A A . 10 LEU HG 1 1 3 886 1 1 10 LEU N N -1.664 2.015 0.791 1.00 . A A . 10 LEU N 1 1 3 887 1 1 10 LEU O O 0.831 -0.379 0.993 1.00 . A A . 10 LEU O 1 1 3 888 1 1 11 LYS C C 2.174 0.663 -1.435 1.00 . A A . 11 LYS C 1 1 3 889 1 1 11 LYS CA C 0.924 -0.121 -1.754 1.00 . A A . 11 LYS CA 1 1 3 890 1 1 11 LYS CB C 0.573 0.010 -3.242 1.00 . A A . 11 LYS CB 1 1 3 891 1 1 11 LYS CD C 0.327 -2.442 -3.682 1.00 . A A . 11 LYS CD 1 1 3 892 1 1 11 LYS CE C -0.437 -3.534 -4.417 1.00 . A A . 11 LYS CE 1 1 3 893 1 1 11 LYS CG C -0.346 -1.080 -3.783 1.00 . A A . 11 LYS CG 1 1 3 894 1 1 11 LYS H H -0.972 0.705 -1.309 1.00 . A A . 11 LYS H 1 1 3 895 1 1 11 LYS HA H 1.122 -1.159 -1.531 1.00 . A A . 11 LYS HA 1 1 3 896 1 1 11 LYS HB2 H 0.087 0.962 -3.397 1.00 . A A . 11 LYS HB2 1 1 3 897 1 1 11 LYS HB3 H 1.490 -0.005 -3.813 1.00 . A A . 11 LYS HB3 1 1 3 898 1 1 11 LYS HD2 H 1.316 -2.364 -4.105 1.00 . A A . 11 LYS HD2 1 1 3 899 1 1 11 LYS HD3 H 0.410 -2.715 -2.640 1.00 . A A . 11 LYS HD3 1 1 3 900 1 1 11 LYS HE2 H -0.538 -3.249 -5.453 1.00 . A A . 11 LYS HE2 1 1 3 901 1 1 11 LYS HE3 H 0.133 -4.450 -4.356 1.00 . A A . 11 LYS HE3 1 1 3 902 1 1 11 LYS HG2 H -1.259 -1.092 -3.205 1.00 . A A . 11 LYS HG2 1 1 3 903 1 1 11 LYS HG3 H -0.572 -0.873 -4.819 1.00 . A A . 11 LYS HG3 1 1 3 904 1 1 11 LYS HZ1 H -2.250 -4.537 -4.377 1.00 . A A . 11 LYS HZ1 1 1 3 905 1 1 11 LYS HZ2 H -2.373 -2.918 -3.940 1.00 . A A . 11 LYS HZ2 1 1 3 906 1 1 11 LYS HZ3 H -1.731 -4.033 -2.857 1.00 . A A . 11 LYS HZ3 1 1 3 907 1 1 11 LYS N N -0.175 0.297 -0.898 1.00 . A A . 11 LYS N 1 1 3 908 1 1 11 LYS NZ N -1.779 -3.766 -3.861 1.00 . A A . 11 LYS NZ 1 1 3 909 1 1 11 LYS O O 3.279 0.107 -1.419 1.00 . A A . 11 LYS O 1 1 3 910 1 1 12 ARG C C 3.772 2.295 0.473 1.00 . A A . 12 ARG C 1 1 3 911 1 1 12 ARG CA C 3.060 2.815 -0.789 1.00 . A A . 12 ARG CA 1 1 3 912 1 1 12 ARG CB C 2.507 4.214 -0.561 1.00 . A A . 12 ARG CB 1 1 3 913 1 1 12 ARG CD C 3.403 5.222 -2.637 1.00 . A A . 12 ARG CD 1 1 3 914 1 1 12 ARG CG C 3.370 5.306 -1.120 1.00 . A A . 12 ARG CG 1 1 3 915 1 1 12 ARG CZ C 1.711 5.074 -4.466 1.00 . A A . 12 ARG CZ 1 1 3 916 1 1 12 ARG H H 1.097 2.340 -1.231 1.00 . A A . 12 ARG H 1 1 3 917 1 1 12 ARG HA H 3.770 2.845 -1.600 1.00 . A A . 12 ARG HA 1 1 3 918 1 1 12 ARG HB2 H 1.539 4.278 -1.037 1.00 . A A . 12 ARG HB2 1 1 3 919 1 1 12 ARG HB3 H 2.381 4.377 0.498 1.00 . A A . 12 ARG HB3 1 1 3 920 1 1 12 ARG HD2 H 4.080 5.975 -3.000 1.00 . A A . 12 ARG HD2 1 1 3 921 1 1 12 ARG HD3 H 3.762 4.252 -2.946 1.00 . A A . 12 ARG HD3 1 1 3 922 1 1 12 ARG HE H 1.453 5.969 -2.682 1.00 . A A . 12 ARG HE 1 1 3 923 1 1 12 ARG HG2 H 2.969 6.263 -0.824 1.00 . A A . 12 ARG HG2 1 1 3 924 1 1 12 ARG HG3 H 4.373 5.192 -0.739 1.00 . A A . 12 ARG HG3 1 1 3 925 1 1 12 ARG HH11 H 3.385 3.963 -4.853 1.00 . A A . 12 ARG HH11 1 1 3 926 1 1 12 ARG HH12 H 2.265 3.995 -6.124 1.00 . A A . 12 ARG HH12 1 1 3 927 1 1 12 ARG HH21 H -0.084 6.013 -4.384 1.00 . A A . 12 ARG HH21 1 1 3 928 1 1 12 ARG HH22 H 0.228 5.197 -5.860 1.00 . A A . 12 ARG HH22 1 1 3 929 1 1 12 ARG N N 1.990 1.940 -1.152 1.00 . A A . 12 ARG N 1 1 3 930 1 1 12 ARG NE N 2.082 5.453 -3.237 1.00 . A A . 12 ARG NE 1 1 3 931 1 1 12 ARG NH1 N 2.501 4.293 -5.197 1.00 . A A . 12 ARG NH1 1 1 3 932 1 1 12 ARG NH2 N 0.532 5.448 -4.937 1.00 . A A . 12 ARG NH2 1 1 3 933 1 1 12 ARG O O 4.991 2.175 0.490 1.00 . A A . 12 ARG O 1 1 3 934 1 1 13 ILE C C 4.416 0.159 2.482 1.00 . A A . 13 ILE C 1 1 3 935 1 1 13 ILE CA C 3.546 1.389 2.770 1.00 . A A . 13 ILE CA 1 1 3 936 1 1 13 ILE CB C 2.416 1.001 3.778 1.00 . A A . 13 ILE CB 1 1 3 937 1 1 13 ILE CD1 C 0.364 1.926 5.009 1.00 . A A . 13 ILE CD1 1 1 3 938 1 1 13 ILE CG1 C 1.569 2.230 4.139 1.00 . A A . 13 ILE CG1 1 1 3 939 1 1 13 ILE CG2 C 3.009 0.383 5.045 1.00 . A A . 13 ILE CG2 1 1 3 940 1 1 13 ILE H H 2.017 2.025 1.410 1.00 . A A . 13 ILE H 1 1 3 941 1 1 13 ILE HA H 4.171 2.152 3.211 1.00 . A A . 13 ILE HA 1 1 3 942 1 1 13 ILE HB H 1.782 0.265 3.307 1.00 . A A . 13 ILE HB 1 1 3 943 1 1 13 ILE HD11 H -0.171 2.840 5.215 1.00 . A A . 13 ILE HD11 1 1 3 944 1 1 13 ILE HD12 H 0.694 1.483 5.937 1.00 . A A . 13 ILE HD12 1 1 3 945 1 1 13 ILE HD13 H -0.286 1.236 4.493 1.00 . A A . 13 ILE HD13 1 1 3 946 1 1 13 ILE HG12 H 2.186 2.937 4.675 1.00 . A A . 13 ILE HG12 1 1 3 947 1 1 13 ILE HG13 H 1.216 2.692 3.228 1.00 . A A . 13 ILE HG13 1 1 3 948 1 1 13 ILE HG21 H 2.211 0.109 5.719 1.00 . A A . 13 ILE HG21 1 1 3 949 1 1 13 ILE HG22 H 3.655 1.103 5.525 1.00 . A A . 13 ILE HG22 1 1 3 950 1 1 13 ILE HG23 H 3.580 -0.496 4.782 1.00 . A A . 13 ILE HG23 1 1 3 951 1 1 13 ILE N N 2.992 1.930 1.506 1.00 . A A . 13 ILE N 1 1 3 952 1 1 13 ILE O O 5.559 0.038 2.975 1.00 . A A . 13 ILE O 1 1 3 953 1 1 14 LEU C C 5.794 -1.587 0.339 1.00 . A A . 14 LEU C 1 1 3 954 1 1 14 LEU CA C 4.620 -1.909 1.255 1.00 . A A . 14 LEU CA 1 1 3 955 1 1 14 LEU CB C 3.699 -2.979 0.623 1.00 . A A . 14 LEU CB 1 1 3 956 1 1 14 LEU CD1 C 3.733 -4.658 2.517 1.00 . A A . 14 LEU CD1 1 1 3 957 1 1 14 LEU CD2 C 1.840 -3.037 2.374 1.00 . A A . 14 LEU CD2 1 1 3 958 1 1 14 LEU CG C 2.846 -3.856 1.579 1.00 . A A . 14 LEU CG 1 1 3 959 1 1 14 LEU H H 3.005 -0.548 1.278 1.00 . A A . 14 LEU H 1 1 3 960 1 1 14 LEU HA H 5.038 -2.314 2.165 1.00 . A A . 14 LEU HA 1 1 3 961 1 1 14 LEU HB2 H 3.022 -2.473 -0.049 1.00 . A A . 14 LEU HB2 1 1 3 962 1 1 14 LEU HB3 H 4.322 -3.636 0.035 1.00 . A A . 14 LEU HB3 1 1 3 963 1 1 14 LEU HD11 H 4.405 -5.274 1.939 1.00 . A A . 14 LEU HD11 1 1 3 964 1 1 14 LEU HD12 H 3.114 -5.292 3.135 1.00 . A A . 14 LEU HD12 1 1 3 965 1 1 14 LEU HD13 H 4.300 -3.991 3.146 1.00 . A A . 14 LEU HD13 1 1 3 966 1 1 14 LEU HD21 H 1.256 -3.691 3.002 1.00 . A A . 14 LEU HD21 1 1 3 967 1 1 14 LEU HD22 H 1.189 -2.508 1.694 1.00 . A A . 14 LEU HD22 1 1 3 968 1 1 14 LEU HD23 H 2.369 -2.324 2.990 1.00 . A A . 14 LEU HD23 1 1 3 969 1 1 14 LEU HG H 2.305 -4.573 0.977 1.00 . A A . 14 LEU HG 1 1 3 970 1 1 14 LEU N N 3.901 -0.716 1.643 1.00 . A A . 14 LEU N 1 1 3 971 1 1 14 LEU O O 6.744 -2.348 0.279 1.00 . A A . 14 LEU O 1 1 3 972 1 1 15 ALA C C 8.059 0.426 -0.470 1.00 . A A . 15 ALA C 1 1 3 973 1 1 15 ALA CA C 6.829 -0.035 -1.238 1.00 . A A . 15 ALA CA 1 1 3 974 1 1 15 ALA CB C 6.363 1.037 -2.203 1.00 . A A . 15 ALA CB 1 1 3 975 1 1 15 ALA H H 4.995 0.191 -0.228 1.00 . A A . 15 ALA H 1 1 3 976 1 1 15 ALA HA H 7.104 -0.912 -1.806 1.00 . A A . 15 ALA HA 1 1 3 977 1 1 15 ALA HB1 H 5.482 0.692 -2.724 1.00 . A A . 15 ALA HB1 1 1 3 978 1 1 15 ALA HB2 H 7.147 1.237 -2.919 1.00 . A A . 15 ALA HB2 1 1 3 979 1 1 15 ALA HB3 H 6.131 1.939 -1.657 1.00 . A A . 15 ALA HB3 1 1 3 980 1 1 15 ALA N N 5.756 -0.432 -0.330 1.00 . A A . 15 ALA N 1 1 3 981 1 1 15 ALA O O 9.156 0.531 -1.029 1.00 . A A . 15 ALA O 1 1 3 982 1 1 16 LYS C C 9.761 -0.203 1.992 1.00 . A A . 16 LYS C 1 1 3 983 1 1 16 LYS CA C 8.989 1.056 1.663 1.00 . A A . 16 LYS CA 1 1 3 984 1 1 16 LYS CB C 8.539 1.720 2.963 1.00 . A A . 16 LYS CB 1 1 3 985 1 1 16 LYS CD C 7.578 3.670 4.165 1.00 . A A . 16 LYS CD 1 1 3 986 1 1 16 LYS CE C 6.880 5.009 4.063 1.00 . A A . 16 LYS CE 1 1 3 987 1 1 16 LYS CG C 7.821 3.045 2.804 1.00 . A A . 16 LYS CG 1 1 3 988 1 1 16 LYS H H 6.958 0.714 1.162 1.00 . A A . 16 LYS H 1 1 3 989 1 1 16 LYS HA H 9.635 1.730 1.119 1.00 . A A . 16 LYS HA 1 1 3 990 1 1 16 LYS HB2 H 7.870 1.042 3.470 1.00 . A A . 16 LYS HB2 1 1 3 991 1 1 16 LYS HB3 H 9.407 1.874 3.587 1.00 . A A . 16 LYS HB3 1 1 3 992 1 1 16 LYS HD2 H 6.959 3.001 4.743 1.00 . A A . 16 LYS HD2 1 1 3 993 1 1 16 LYS HD3 H 8.527 3.800 4.661 1.00 . A A . 16 LYS HD3 1 1 3 994 1 1 16 LYS HE2 H 7.447 5.652 3.407 1.00 . A A . 16 LYS HE2 1 1 3 995 1 1 16 LYS HE3 H 5.896 4.851 3.647 1.00 . A A . 16 LYS HE3 1 1 3 996 1 1 16 LYS HG2 H 8.430 3.712 2.211 1.00 . A A . 16 LYS HG2 1 1 3 997 1 1 16 LYS HG3 H 6.873 2.881 2.315 1.00 . A A . 16 LYS HG3 1 1 3 998 1 1 16 LYS HZ1 H 6.250 6.569 5.302 1.00 . A A . 16 LYS HZ1 1 1 3 999 1 1 16 LYS HZ2 H 7.682 5.850 5.796 1.00 . A A . 16 LYS HZ2 1 1 3 1000 1 1 16 LYS HZ3 H 6.220 5.070 6.067 1.00 . A A . 16 LYS HZ3 1 1 3 1001 1 1 16 LYS N N 7.873 0.716 0.809 1.00 . A A . 16 LYS N 1 1 3 1002 1 1 16 LYS NZ N 6.744 5.659 5.387 1.00 . A A . 16 LYS NZ 1 1 3 1003 1 1 16 LYS O O 10.975 -0.179 2.173 1.00 . A A . 16 LYS O 1 1 3 1004 1 1 17 ILE C C 10.177 -3.193 1.066 1.00 . A A . 17 ILE C 1 1 3 1005 1 1 17 ILE CA C 9.685 -2.571 2.367 1.00 . A A . 17 ILE CA 1 1 3 1006 1 1 17 ILE CB C 8.681 -3.552 3.038 1.00 . A A . 17 ILE CB 1 1 3 1007 1 1 17 ILE CD1 C 6.944 -3.745 4.914 1.00 . A A . 17 ILE CD1 1 1 3 1008 1 1 17 ILE CG1 C 8.022 -2.899 4.262 1.00 . A A . 17 ILE CG1 1 1 3 1009 1 1 17 ILE CG2 C 9.393 -4.846 3.446 1.00 . A A . 17 ILE CG2 1 1 3 1010 1 1 17 ILE H H 8.088 -1.259 1.891 1.00 . A A . 17 ILE H 1 1 3 1011 1 1 17 ILE HA H 10.516 -2.398 3.033 1.00 . A A . 17 ILE HA 1 1 3 1012 1 1 17 ILE HB H 7.917 -3.800 2.317 1.00 . A A . 17 ILE HB 1 1 3 1013 1 1 17 ILE HD11 H 6.160 -3.941 4.198 1.00 . A A . 17 ILE HD11 1 1 3 1014 1 1 17 ILE HD12 H 6.534 -3.218 5.762 1.00 . A A . 17 ILE HD12 1 1 3 1015 1 1 17 ILE HD13 H 7.373 -4.679 5.244 1.00 . A A . 17 ILE HD13 1 1 3 1016 1 1 17 ILE HG12 H 8.783 -2.716 5.006 1.00 . A A . 17 ILE HG12 1 1 3 1017 1 1 17 ILE HG13 H 7.580 -1.958 3.967 1.00 . A A . 17 ILE HG13 1 1 3 1018 1 1 17 ILE HG21 H 8.682 -5.519 3.902 1.00 . A A . 17 ILE HG21 1 1 3 1019 1 1 17 ILE HG22 H 10.174 -4.618 4.156 1.00 . A A . 17 ILE HG22 1 1 3 1020 1 1 17 ILE HG23 H 9.823 -5.311 2.572 1.00 . A A . 17 ILE HG23 1 1 3 1021 1 1 17 ILE N N 9.052 -1.307 2.062 1.00 . A A . 17 ILE N 1 1 3 1022 1 1 17 ILE O O 11.350 -3.540 0.926 1.00 . A A . 17 ILE O 1 1 3 1023 1 1 18 PHE C C 9.736 -2.712 -2.180 1.00 . A A . 18 PHE C 1 1 3 1024 1 1 18 PHE CA C 9.577 -3.817 -1.155 1.00 . A A . 18 PHE CA 1 1 3 1025 1 1 18 PHE CB C 8.416 -4.723 -1.548 1.00 . A A . 18 PHE CB 1 1 3 1026 1 1 18 PHE CD1 C 7.187 -5.720 0.413 1.00 . A A . 18 PHE CD1 1 1 3 1027 1 1 18 PHE CD2 C 8.830 -7.051 -0.684 1.00 . A A . 18 PHE CD2 1 1 3 1028 1 1 18 PHE CE1 C 6.933 -6.752 1.296 1.00 . A A . 18 PHE CE1 1 1 3 1029 1 1 18 PHE CE2 C 8.580 -8.088 0.195 1.00 . A A . 18 PHE CE2 1 1 3 1030 1 1 18 PHE CG C 8.139 -5.856 -0.587 1.00 . A A . 18 PHE CG 1 1 3 1031 1 1 18 PHE CZ C 7.631 -7.937 1.187 1.00 . A A . 18 PHE CZ 1 1 3 1032 1 1 18 PHE H H 8.382 -2.917 0.187 1.00 . A A . 18 PHE H 1 1 3 1033 1 1 18 PHE HA H 10.474 -4.411 -1.089 1.00 . A A . 18 PHE HA 1 1 3 1034 1 1 18 PHE HB2 H 7.522 -4.121 -1.614 1.00 . A A . 18 PHE HB2 1 1 3 1035 1 1 18 PHE HB3 H 8.634 -5.127 -2.517 1.00 . A A . 18 PHE HB3 1 1 3 1036 1 1 18 PHE HD1 H 6.639 -4.792 0.497 1.00 . A A . 18 PHE HD1 1 1 3 1037 1 1 18 PHE HD2 H 9.570 -7.172 -1.461 1.00 . A A . 18 PHE HD2 1 1 3 1038 1 1 18 PHE HE1 H 6.188 -6.632 2.070 1.00 . A A . 18 PHE HE1 1 1 3 1039 1 1 18 PHE HE2 H 9.127 -9.015 0.107 1.00 . A A . 18 PHE HE2 1 1 3 1040 1 1 18 PHE HZ H 7.434 -8.746 1.875 1.00 . A A . 18 PHE HZ 1 1 3 1041 1 1 18 PHE N N 9.303 -3.247 0.101 1.00 . A A . 18 PHE N 1 1 3 1042 1 1 18 PHE O O 8.749 -2.181 -2.677 1.00 . A A . 18 PHE O 1 1 3 1043 1 1 19 LYS C C 11.181 -1.889 -4.788 1.00 . A A . 19 LYS C 1 1 3 1044 1 1 19 LYS CA C 11.238 -1.295 -3.402 1.00 . A A . 19 LYS CA 1 1 3 1045 1 1 19 LYS CB C 12.612 -0.641 -3.161 1.00 . A A . 19 LYS CB 1 1 3 1046 1 1 19 LYS CD C 12.709 -0.659 -0.582 1.00 . A A . 19 LYS CD 1 1 3 1047 1 1 19 LYS CE C 13.883 -1.627 -0.476 1.00 . A A . 19 LYS CE 1 1 3 1048 1 1 19 LYS CG C 12.761 0.173 -1.863 1.00 . A A . 19 LYS CG 1 1 3 1049 1 1 19 LYS H H 11.715 -2.747 -1.986 1.00 . A A . 19 LYS H 1 1 3 1050 1 1 19 LYS HA H 10.466 -0.544 -3.314 1.00 . A A . 19 LYS HA 1 1 3 1051 1 1 19 LYS HB2 H 13.361 -1.419 -3.153 1.00 . A A . 19 LYS HB2 1 1 3 1052 1 1 19 LYS HB3 H 12.817 0.014 -3.995 1.00 . A A . 19 LYS HB3 1 1 3 1053 1 1 19 LYS HD2 H 12.726 0.004 0.270 1.00 . A A . 19 LYS HD2 1 1 3 1054 1 1 19 LYS HD3 H 11.788 -1.223 -0.575 1.00 . A A . 19 LYS HD3 1 1 3 1055 1 1 19 LYS HE2 H 13.865 -2.299 -1.320 1.00 . A A . 19 LYS HE2 1 1 3 1056 1 1 19 LYS HE3 H 14.803 -1.061 -0.487 1.00 . A A . 19 LYS HE3 1 1 3 1057 1 1 19 LYS HG2 H 13.735 0.631 -1.893 1.00 . A A . 19 LYS HG2 1 1 3 1058 1 1 19 LYS HG3 H 11.997 0.937 -1.832 1.00 . A A . 19 LYS HG3 1 1 3 1059 1 1 19 LYS HZ1 H 14.591 -3.124 0.805 1.00 . A A . 19 LYS HZ1 1 1 3 1060 1 1 19 LYS HZ2 H 12.923 -2.944 0.842 1.00 . A A . 19 LYS HZ2 1 1 3 1061 1 1 19 LYS HZ3 H 13.910 -1.804 1.596 1.00 . A A . 19 LYS HZ3 1 1 3 1062 1 1 19 LYS N N 10.957 -2.327 -2.440 1.00 . A A . 19 LYS N 1 1 3 1063 1 1 19 LYS NZ N 13.823 -2.422 0.766 1.00 . A A . 19 LYS NZ 1 1 3 1064 1 1 19 LYS O O 10.243 -1.586 -5.542 1.00 . A A . 19 LYS O 1 1 3 1065 1 1 19 LYS OXT O 12.042 -2.748 -5.107 1.00 . A A . 19 LYS OXT 1 1 4 1066 1 1 1 PRO C C -15.888 0.827 5.373 1.00 . A A . 1 PRO C 1 1 4 1067 1 1 1 PRO CA C -16.618 0.314 6.584 1.00 . A A . 1 PRO CA 1 1 4 1068 1 1 1 PRO CB C -15.716 -0.616 7.381 1.00 . A A . 1 PRO CB 1 1 4 1069 1 1 1 PRO CD C -17.734 -1.794 6.798 1.00 . A A . 1 PRO CD 1 1 4 1070 1 1 1 PRO CG C -16.259 -1.982 7.087 1.00 . A A . 1 PRO CG 1 1 4 1071 1 1 1 PRO H2 H -17.538 -1.272 5.622 1.00 . A A . 1 PRO H2 1 1 4 1072 1 1 1 PRO H3 H -18.245 0.202 5.459 1.00 . A A . 1 PRO H3 1 1 4 1073 1 1 1 PRO HA H -16.917 1.143 7.206 1.00 . A A . 1 PRO HA 1 1 4 1074 1 1 1 PRO HB2 H -14.698 -0.502 7.039 1.00 . A A . 1 PRO HB2 1 1 4 1075 1 1 1 PRO HB3 H -15.783 -0.384 8.433 1.00 . A A . 1 PRO HB3 1 1 4 1076 1 1 1 PRO HD2 H -18.097 -2.605 6.179 1.00 . A A . 1 PRO HD2 1 1 4 1077 1 1 1 PRO HD3 H -18.258 -1.832 7.742 1.00 . A A . 1 PRO HD3 1 1 4 1078 1 1 1 PRO HG2 H -15.755 -2.396 6.226 1.00 . A A . 1 PRO HG2 1 1 4 1079 1 1 1 PRO HG3 H -16.122 -2.625 7.944 1.00 . A A . 1 PRO HG3 1 1 4 1080 1 1 1 PRO N N -17.789 -0.423 6.159 1.00 . A A . 1 PRO N 1 1 4 1081 1 1 1 PRO O O -15.787 0.131 4.362 1.00 . A A . 1 PRO O 1 1 4 1082 1 1 2 MET C C -13.241 2.293 4.405 1.00 . A A . 2 MET C 1 1 4 1083 1 1 2 MET CA C -14.703 2.654 4.354 1.00 . A A . 2 MET CA 1 1 4 1084 1 1 2 MET CB C -14.875 4.168 4.401 1.00 . A A . 2 MET CB 1 1 4 1085 1 1 2 MET CE C -18.271 6.539 4.281 1.00 . A A . 2 MET CE 1 1 4 1086 1 1 2 MET CG C -16.315 4.617 4.289 1.00 . A A . 2 MET CG 1 1 4 1087 1 1 2 MET H H -15.491 2.541 6.296 1.00 . A A . 2 MET H 1 1 4 1088 1 1 2 MET HA H -15.131 2.281 3.435 1.00 . A A . 2 MET HA 1 1 4 1089 1 1 2 MET HB2 H -14.481 4.530 5.339 1.00 . A A . 2 MET HB2 1 1 4 1090 1 1 2 MET HB3 H -14.316 4.610 3.590 1.00 . A A . 2 MET HB3 1 1 4 1091 1 1 2 MET HE1 H -18.552 7.580 4.291 1.00 . A A . 2 MET HE1 1 1 4 1092 1 1 2 MET HE2 H -18.755 6.036 5.104 1.00 . A A . 2 MET HE2 1 1 4 1093 1 1 2 MET HE3 H -18.575 6.088 3.349 1.00 . A A . 2 MET HE3 1 1 4 1094 1 1 2 MET HG2 H -16.693 4.327 3.320 1.00 . A A . 2 MET HG2 1 1 4 1095 1 1 2 MET HG3 H -16.893 4.127 5.058 1.00 . A A . 2 MET HG3 1 1 4 1096 1 1 2 MET N N -15.400 2.034 5.458 1.00 . A A . 2 MET N 1 1 4 1097 1 1 2 MET O O -12.718 1.930 5.472 1.00 . A A . 2 MET O 1 1 4 1098 1 1 2 MET SD S -16.504 6.393 4.467 1.00 . A A . 2 MET SD 1 1 4 1099 1 1 3 ALA C C -10.387 3.227 3.729 1.00 . A A . 3 ALA C 1 1 4 1100 1 1 3 ALA CA C -11.195 2.063 3.201 1.00 . A A . 3 ALA CA 1 1 4 1101 1 1 3 ALA CB C -10.795 1.724 1.771 1.00 . A A . 3 ALA CB 1 1 4 1102 1 1 3 ALA H H -13.056 2.667 2.471 1.00 . A A . 3 ALA H 1 1 4 1103 1 1 3 ALA HA H -11.013 1.201 3.825 1.00 . A A . 3 ALA HA 1 1 4 1104 1 1 3 ALA HB1 H -11.387 0.891 1.420 1.00 . A A . 3 ALA HB1 1 1 4 1105 1 1 3 ALA HB2 H -9.748 1.460 1.743 1.00 . A A . 3 ALA HB2 1 1 4 1106 1 1 3 ALA HB3 H -10.968 2.580 1.138 1.00 . A A . 3 ALA HB3 1 1 4 1107 1 1 3 ALA N N -12.589 2.374 3.283 1.00 . A A . 3 ALA N 1 1 4 1108 1 1 3 ALA O O -10.226 4.250 3.051 1.00 . A A . 3 ALA O 1 1 4 1109 1 1 4 ARG C C -7.783 4.092 4.929 1.00 . A A . 4 ARG C 1 1 4 1110 1 1 4 ARG CA C -9.128 4.106 5.596 1.00 . A A . 4 ARG CA 1 1 4 1111 1 1 4 ARG CB C -8.949 3.787 7.067 1.00 . A A . 4 ARG CB 1 1 4 1112 1 1 4 ARG CD C -9.923 3.282 9.276 1.00 . A A . 4 ARG CD 1 1 4 1113 1 1 4 ARG CG C -10.231 3.609 7.838 1.00 . A A . 4 ARG CG 1 1 4 1114 1 1 4 ARG CZ C -8.123 4.206 10.735 1.00 . A A . 4 ARG CZ 1 1 4 1115 1 1 4 ARG H H -10.168 2.265 5.428 1.00 . A A . 4 ARG H 1 1 4 1116 1 1 4 ARG HA H -9.591 5.073 5.486 1.00 . A A . 4 ARG HA 1 1 4 1117 1 1 4 ARG HB2 H -8.383 2.875 7.158 1.00 . A A . 4 ARG HB2 1 1 4 1118 1 1 4 ARG HB3 H -8.389 4.588 7.528 1.00 . A A . 4 ARG HB3 1 1 4 1119 1 1 4 ARG HD2 H -10.849 3.120 9.810 1.00 . A A . 4 ARG HD2 1 1 4 1120 1 1 4 ARG HD3 H -9.328 2.383 9.302 1.00 . A A . 4 ARG HD3 1 1 4 1121 1 1 4 ARG HE H -9.547 5.255 9.718 1.00 . A A . 4 ARG HE 1 1 4 1122 1 1 4 ARG HG2 H -10.806 4.520 7.790 1.00 . A A . 4 ARG HG2 1 1 4 1123 1 1 4 ARG HG3 H -10.793 2.795 7.402 1.00 . A A . 4 ARG HG3 1 1 4 1124 1 1 4 ARG HH11 H -7.928 2.182 10.450 1.00 . A A . 4 ARG HH11 1 1 4 1125 1 1 4 ARG HH12 H -6.788 2.878 11.514 1.00 . A A . 4 ARG HH12 1 1 4 1126 1 1 4 ARG HH21 H -7.979 6.178 11.248 1.00 . A A . 4 ARG HH21 1 1 4 1127 1 1 4 ARG HH22 H -6.807 5.154 11.963 1.00 . A A . 4 ARG HH22 1 1 4 1128 1 1 4 ARG N N -9.941 3.095 4.955 1.00 . A A . 4 ARG N 1 1 4 1129 1 1 4 ARG NE N -9.177 4.365 9.917 1.00 . A A . 4 ARG NE 1 1 4 1130 1 1 4 ARG NH1 N -7.580 3.003 10.911 1.00 . A A . 4 ARG NH1 1 1 4 1131 1 1 4 ARG NH2 N -7.604 5.253 11.359 1.00 . A A . 4 ARG NH2 1 1 4 1132 1 1 4 ARG O O -7.302 5.095 4.410 1.00 . A A . 4 ARG O 1 1 4 1133 1 1 5 ASN C C -6.243 2.356 2.820 1.00 . A A . 5 ASN C 1 1 4 1134 1 1 5 ASN CA C -5.960 2.720 4.251 1.00 . A A . 5 ASN CA 1 1 4 1135 1 1 5 ASN CB C -5.126 1.637 4.960 1.00 . A A . 5 ASN CB 1 1 4 1136 1 1 5 ASN CG C -3.818 1.323 4.240 1.00 . A A . 5 ASN CG 1 1 4 1137 1 1 5 ASN H H -7.689 2.185 5.325 1.00 . A A . 5 ASN H 1 1 4 1138 1 1 5 ASN HA H -5.423 3.657 4.265 1.00 . A A . 5 ASN HA 1 1 4 1139 1 1 5 ASN HB2 H -4.889 1.972 5.959 1.00 . A A . 5 ASN HB2 1 1 4 1140 1 1 5 ASN HB3 H -5.710 0.731 5.022 1.00 . A A . 5 ASN HB3 1 1 4 1141 1 1 5 ASN HD21 H -4.635 -0.241 3.355 1.00 . A A . 5 ASN HD21 1 1 4 1142 1 1 5 ASN HD22 H -2.979 0.068 2.986 1.00 . A A . 5 ASN HD22 1 1 4 1143 1 1 5 ASN N N -7.212 2.933 4.907 1.00 . A A . 5 ASN N 1 1 4 1144 1 1 5 ASN ND2 N -3.810 0.288 3.450 1.00 . A A . 5 ASN ND2 1 1 4 1145 1 1 5 ASN O O -6.566 1.207 2.504 1.00 . A A . 5 ASN O 1 1 4 1146 1 1 5 ASN OD1 O -2.810 1.983 4.444 1.00 . A A . 5 ASN OD1 1 1 4 1147 1 1 6 LYS C C -5.396 2.332 -0.048 1.00 . A A . 6 LYS C 1 1 4 1148 1 1 6 LYS CA C -6.495 3.199 0.567 1.00 . A A . 6 LYS CA 1 1 4 1149 1 1 6 LYS CB C -6.483 4.570 -0.128 1.00 . A A . 6 LYS CB 1 1 4 1150 1 1 6 LYS CD C -7.300 6.925 -0.299 1.00 . A A . 6 LYS CD 1 1 4 1151 1 1 6 LYS CE C -8.133 8.050 0.314 1.00 . A A . 6 LYS CE 1 1 4 1152 1 1 6 LYS CG C -7.425 5.613 0.464 1.00 . A A . 6 LYS CG 1 1 4 1153 1 1 6 LYS H H -6.075 4.259 2.341 1.00 . A A . 6 LYS H 1 1 4 1154 1 1 6 LYS HA H -7.463 2.742 0.431 1.00 . A A . 6 LYS HA 1 1 4 1155 1 1 6 LYS HB2 H -5.479 4.968 -0.079 1.00 . A A . 6 LYS HB2 1 1 4 1156 1 1 6 LYS HB3 H -6.743 4.429 -1.165 1.00 . A A . 6 LYS HB3 1 1 4 1157 1 1 6 LYS HD2 H -6.263 7.227 -0.303 1.00 . A A . 6 LYS HD2 1 1 4 1158 1 1 6 LYS HD3 H -7.625 6.755 -1.314 1.00 . A A . 6 LYS HD3 1 1 4 1159 1 1 6 LYS HE2 H -7.794 8.229 1.323 1.00 . A A . 6 LYS HE2 1 1 4 1160 1 1 6 LYS HE3 H -7.965 8.942 -0.270 1.00 . A A . 6 LYS HE3 1 1 4 1161 1 1 6 LYS HG2 H -8.440 5.253 0.393 1.00 . A A . 6 LYS HG2 1 1 4 1162 1 1 6 LYS HG3 H -7.166 5.779 1.499 1.00 . A A . 6 LYS HG3 1 1 4 1163 1 1 6 LYS HZ1 H -10.120 8.538 0.760 1.00 . A A . 6 LYS HZ1 1 1 4 1164 1 1 6 LYS HZ2 H -9.809 6.903 0.879 1.00 . A A . 6 LYS HZ2 1 1 4 1165 1 1 6 LYS HZ3 H -9.957 7.625 -0.627 1.00 . A A . 6 LYS HZ3 1 1 4 1166 1 1 6 LYS N N -6.241 3.362 1.981 1.00 . A A . 6 LYS N 1 1 4 1167 1 1 6 LYS NZ N -9.582 7.757 0.334 1.00 . A A . 6 LYS NZ 1 1 4 1168 1 1 6 LYS O O -4.254 2.370 0.422 1.00 . A A . 6 LYS O 1 1 4 1169 1 1 7 PRO C C -3.517 1.569 -2.274 1.00 . A A . 7 PRO C 1 1 4 1170 1 1 7 PRO CA C -4.733 0.729 -1.829 1.00 . A A . 7 PRO CA 1 1 4 1171 1 1 7 PRO CB C -5.514 0.231 -3.037 1.00 . A A . 7 PRO CB 1 1 4 1172 1 1 7 PRO CD C -7.095 1.284 -1.576 1.00 . A A . 7 PRO CD 1 1 4 1173 1 1 7 PRO CG C -6.925 0.164 -2.564 1.00 . A A . 7 PRO CG 1 1 4 1174 1 1 7 PRO HA H -4.391 -0.107 -1.235 1.00 . A A . 7 PRO HA 1 1 4 1175 1 1 7 PRO HB2 H -5.398 0.929 -3.850 1.00 . A A . 7 PRO HB2 1 1 4 1176 1 1 7 PRO HB3 H -5.152 -0.741 -3.336 1.00 . A A . 7 PRO HB3 1 1 4 1177 1 1 7 PRO HD2 H -7.506 2.162 -2.051 1.00 . A A . 7 PRO HD2 1 1 4 1178 1 1 7 PRO HD3 H -7.734 0.965 -0.766 1.00 . A A . 7 PRO HD3 1 1 4 1179 1 1 7 PRO HG2 H -7.600 0.294 -3.398 1.00 . A A . 7 PRO HG2 1 1 4 1180 1 1 7 PRO HG3 H -7.103 -0.787 -2.084 1.00 . A A . 7 PRO HG3 1 1 4 1181 1 1 7 PRO N N -5.722 1.531 -1.087 1.00 . A A . 7 PRO N 1 1 4 1182 1 1 7 PRO O O -2.413 1.059 -2.376 1.00 . A A . 7 PRO O 1 1 4 1183 1 1 8 LYS C C -1.643 3.810 -1.697 1.00 . A A . 8 LYS C 1 1 4 1184 1 1 8 LYS CA C -2.672 3.825 -2.815 1.00 . A A . 8 LYS CA 1 1 4 1185 1 1 8 LYS CB C -3.245 5.245 -2.902 1.00 . A A . 8 LYS CB 1 1 4 1186 1 1 8 LYS CD C -3.266 5.554 -5.365 1.00 . A A . 8 LYS CD 1 1 4 1187 1 1 8 LYS CE C -4.105 5.889 -6.564 1.00 . A A . 8 LYS CE 1 1 4 1188 1 1 8 LYS CG C -4.099 5.525 -4.109 1.00 . A A . 8 LYS CG 1 1 4 1189 1 1 8 LYS H H -4.683 3.159 -2.521 1.00 . A A . 8 LYS H 1 1 4 1190 1 1 8 LYS HA H -2.206 3.573 -3.755 1.00 . A A . 8 LYS HA 1 1 4 1191 1 1 8 LYS HB2 H -3.848 5.423 -2.024 1.00 . A A . 8 LYS HB2 1 1 4 1192 1 1 8 LYS HB3 H -2.421 5.942 -2.897 1.00 . A A . 8 LYS HB3 1 1 4 1193 1 1 8 LYS HD2 H -2.495 6.303 -5.263 1.00 . A A . 8 LYS HD2 1 1 4 1194 1 1 8 LYS HD3 H -2.814 4.584 -5.512 1.00 . A A . 8 LYS HD3 1 1 4 1195 1 1 8 LYS HE2 H -4.817 5.094 -6.725 1.00 . A A . 8 LYS HE2 1 1 4 1196 1 1 8 LYS HE3 H -4.637 6.807 -6.363 1.00 . A A . 8 LYS HE3 1 1 4 1197 1 1 8 LYS HG2 H -4.829 4.737 -4.203 1.00 . A A . 8 LYS HG2 1 1 4 1198 1 1 8 LYS HG3 H -4.596 6.475 -3.988 1.00 . A A . 8 LYS HG3 1 1 4 1199 1 1 8 LYS HZ1 H -3.898 6.260 -8.592 1.00 . A A . 8 LYS HZ1 1 1 4 1200 1 1 8 LYS HZ2 H -2.729 5.205 -7.976 1.00 . A A . 8 LYS HZ2 1 1 4 1201 1 1 8 LYS HZ3 H -2.622 6.847 -7.658 1.00 . A A . 8 LYS HZ3 1 1 4 1202 1 1 8 LYS N N -3.748 2.863 -2.524 1.00 . A A . 8 LYS N 1 1 4 1203 1 1 8 LYS NZ N -3.287 6.057 -7.775 1.00 . A A . 8 LYS NZ 1 1 4 1204 1 1 8 LYS O O -0.468 3.521 -1.910 1.00 . A A . 8 LYS O 1 1 4 1205 1 1 9 ILE C C -0.687 2.802 0.993 1.00 . A A . 9 ILE C 1 1 4 1206 1 1 9 ILE CA C -1.319 4.155 0.698 1.00 . A A . 9 ILE CA 1 1 4 1207 1 1 9 ILE CB C -2.198 4.593 1.901 1.00 . A A . 9 ILE CB 1 1 4 1208 1 1 9 ILE CD1 C -3.944 6.331 2.616 1.00 . A A . 9 ILE CD1 1 1 4 1209 1 1 9 ILE CG1 C -2.961 5.883 1.553 1.00 . A A . 9 ILE CG1 1 1 4 1210 1 1 9 ILE CG2 C -1.338 4.806 3.142 1.00 . A A . 9 ILE CG2 1 1 4 1211 1 1 9 ILE H H -3.103 4.149 -0.412 1.00 . A A . 9 ILE H 1 1 4 1212 1 1 9 ILE HA H -0.548 4.894 0.537 1.00 . A A . 9 ILE HA 1 1 4 1213 1 1 9 ILE HB H -2.913 3.811 2.107 1.00 . A A . 9 ILE HB 1 1 4 1214 1 1 9 ILE HD11 H -4.692 5.567 2.761 1.00 . A A . 9 ILE HD11 1 1 4 1215 1 1 9 ILE HD12 H -4.418 7.250 2.306 1.00 . A A . 9 ILE HD12 1 1 4 1216 1 1 9 ILE HD13 H -3.412 6.491 3.541 1.00 . A A . 9 ILE HD13 1 1 4 1217 1 1 9 ILE HG12 H -2.247 6.681 1.413 1.00 . A A . 9 ILE HG12 1 1 4 1218 1 1 9 ILE HG13 H -3.505 5.735 0.634 1.00 . A A . 9 ILE HG13 1 1 4 1219 1 1 9 ILE HG21 H -1.971 5.111 3.962 1.00 . A A . 9 ILE HG21 1 1 4 1220 1 1 9 ILE HG22 H -0.608 5.577 2.947 1.00 . A A . 9 ILE HG22 1 1 4 1221 1 1 9 ILE HG23 H -0.834 3.886 3.396 1.00 . A A . 9 ILE HG23 1 1 4 1222 1 1 9 ILE N N -2.132 4.057 -0.501 1.00 . A A . 9 ILE N 1 1 4 1223 1 1 9 ILE O O 0.487 2.716 1.368 1.00 . A A . 9 ILE O 1 1 4 1224 1 1 10 LEU C C 0.175 0.090 0.074 1.00 . A A . 10 LEU C 1 1 4 1225 1 1 10 LEU CA C -1.050 0.380 0.943 1.00 . A A . 10 LEU CA 1 1 4 1226 1 1 10 LEU CB C -2.200 -0.561 0.562 1.00 . A A . 10 LEU CB 1 1 4 1227 1 1 10 LEU CD1 C -1.799 -2.384 2.255 1.00 . A A . 10 LEU CD1 1 1 4 1228 1 1 10 LEU CD2 C -3.119 -2.856 0.183 1.00 . A A . 10 LEU CD2 1 1 4 1229 1 1 10 LEU CG C -1.972 -2.059 0.775 1.00 . A A . 10 LEU CG 1 1 4 1230 1 1 10 LEU H H -2.393 1.934 0.472 1.00 . A A . 10 LEU H 1 1 4 1231 1 1 10 LEU HA H -0.802 0.230 1.982 1.00 . A A . 10 LEU HA 1 1 4 1232 1 1 10 LEU HB2 H -3.074 -0.272 1.126 1.00 . A A . 10 LEU HB2 1 1 4 1233 1 1 10 LEU HB3 H -2.408 -0.403 -0.484 1.00 . A A . 10 LEU HB3 1 1 4 1234 1 1 10 LEU HD11 H -0.945 -1.851 2.646 1.00 . A A . 10 LEU HD11 1 1 4 1235 1 1 10 LEU HD12 H -1.643 -3.446 2.373 1.00 . A A . 10 LEU HD12 1 1 4 1236 1 1 10 LEU HD13 H -2.685 -2.088 2.794 1.00 . A A . 10 LEU HD13 1 1 4 1237 1 1 10 LEU HD21 H -4.046 -2.558 0.652 1.00 . A A . 10 LEU HD21 1 1 4 1238 1 1 10 LEU HD22 H -2.951 -3.908 0.359 1.00 . A A . 10 LEU HD22 1 1 4 1239 1 1 10 LEU HD23 H -3.178 -2.673 -0.880 1.00 . A A . 10 LEU HD23 1 1 4 1240 1 1 10 LEU HG H -1.064 -2.342 0.264 1.00 . A A . 10 LEU HG 1 1 4 1241 1 1 10 LEU N N -1.472 1.753 0.766 1.00 . A A . 10 LEU N 1 1 4 1242 1 1 10 LEU O O 1.178 -0.411 0.559 1.00 . A A . 10 LEU O 1 1 4 1243 1 1 11 LYS C C 2.421 1.045 -1.723 1.00 . A A . 11 LYS C 1 1 4 1244 1 1 11 LYS CA C 1.203 0.225 -2.112 1.00 . A A . 11 LYS CA 1 1 4 1245 1 1 11 LYS CB C 0.810 0.486 -3.561 1.00 . A A . 11 LYS CB 1 1 4 1246 1 1 11 LYS CD C -0.558 -0.192 -5.547 1.00 . A A . 11 LYS CD 1 1 4 1247 1 1 11 LYS CE C -1.622 -1.144 -6.052 1.00 . A A . 11 LYS CE 1 1 4 1248 1 1 11 LYS CG C -0.236 -0.470 -4.093 1.00 . A A . 11 LYS CG 1 1 4 1249 1 1 11 LYS H H -0.731 0.864 -1.529 1.00 . A A . 11 LYS H 1 1 4 1250 1 1 11 LYS HA H 1.473 -0.816 -2.012 1.00 . A A . 11 LYS HA 1 1 4 1251 1 1 11 LYS HB2 H 0.422 1.491 -3.639 1.00 . A A . 11 LYS HB2 1 1 4 1252 1 1 11 LYS HB3 H 1.692 0.405 -4.180 1.00 . A A . 11 LYS HB3 1 1 4 1253 1 1 11 LYS HD2 H -0.915 0.822 -5.643 1.00 . A A . 11 LYS HD2 1 1 4 1254 1 1 11 LYS HD3 H 0.337 -0.319 -6.137 1.00 . A A . 11 LYS HD3 1 1 4 1255 1 1 11 LYS HE2 H -1.267 -2.157 -5.942 1.00 . A A . 11 LYS HE2 1 1 4 1256 1 1 11 LYS HE3 H -2.512 -1.010 -5.456 1.00 . A A . 11 LYS HE3 1 1 4 1257 1 1 11 LYS HG2 H 0.133 -1.480 -4.001 1.00 . A A . 11 LYS HG2 1 1 4 1258 1 1 11 LYS HG3 H -1.136 -0.363 -3.505 1.00 . A A . 11 LYS HG3 1 1 4 1259 1 1 11 LYS HZ1 H -2.261 0.066 -7.636 1.00 . A A . 11 LYS HZ1 1 1 4 1260 1 1 11 LYS HZ2 H -2.734 -1.545 -7.742 1.00 . A A . 11 LYS HZ2 1 1 4 1261 1 1 11 LYS HZ3 H -1.147 -1.131 -8.089 1.00 . A A . 11 LYS HZ3 1 1 4 1262 1 1 11 LYS N N 0.097 0.449 -1.198 1.00 . A A . 11 LYS N 1 1 4 1263 1 1 11 LYS NZ N -1.952 -0.911 -7.470 1.00 . A A . 11 LYS NZ 1 1 4 1264 1 1 11 LYS O O 3.538 0.567 -1.830 1.00 . A A . 11 LYS O 1 1 4 1265 1 1 12 ARG C C 4.022 2.439 0.383 1.00 . A A . 12 ARG C 1 1 4 1266 1 1 12 ARG CA C 3.301 3.104 -0.785 1.00 . A A . 12 ARG CA 1 1 4 1267 1 1 12 ARG CB C 2.852 4.521 -0.387 1.00 . A A . 12 ARG CB 1 1 4 1268 1 1 12 ARG CD C 1.938 5.391 -2.642 1.00 . A A . 12 ARG CD 1 1 4 1269 1 1 12 ARG CG C 2.886 5.614 -1.475 1.00 . A A . 12 ARG CG 1 1 4 1270 1 1 12 ARG CZ C 1.711 3.975 -4.670 1.00 . A A . 12 ARG CZ 1 1 4 1271 1 1 12 ARG H H 1.274 2.599 -1.231 1.00 . A A . 12 ARG H 1 1 4 1272 1 1 12 ARG HA H 4.006 3.177 -1.601 1.00 . A A . 12 ARG HA 1 1 4 1273 1 1 12 ARG HB2 H 1.846 4.475 0.001 1.00 . A A . 12 ARG HB2 1 1 4 1274 1 1 12 ARG HB3 H 3.511 4.835 0.407 1.00 . A A . 12 ARG HB3 1 1 4 1275 1 1 12 ARG HD2 H 0.958 5.157 -2.251 1.00 . A A . 12 ARG HD2 1 1 4 1276 1 1 12 ARG HD3 H 1.881 6.306 -3.213 1.00 . A A . 12 ARG HD3 1 1 4 1277 1 1 12 ARG HE H 3.155 3.815 -3.242 1.00 . A A . 12 ARG HE 1 1 4 1278 1 1 12 ARG HG2 H 2.635 6.560 -1.021 1.00 . A A . 12 ARG HG2 1 1 4 1279 1 1 12 ARG HG3 H 3.897 5.672 -1.852 1.00 . A A . 12 ARG HG3 1 1 4 1280 1 1 12 ARG HH11 H 0.313 5.452 -4.519 1.00 . A A . 12 ARG HH11 1 1 4 1281 1 1 12 ARG HH12 H 0.142 4.477 -5.897 1.00 . A A . 12 ARG HH12 1 1 4 1282 1 1 12 ARG HH21 H 2.962 2.445 -5.167 1.00 . A A . 12 ARG HH21 1 1 4 1283 1 1 12 ARG HH22 H 1.698 2.700 -6.276 1.00 . A A . 12 ARG HH22 1 1 4 1284 1 1 12 ARG N N 2.200 2.269 -1.258 1.00 . A A . 12 ARG N 1 1 4 1285 1 1 12 ARG NE N 2.352 4.302 -3.536 1.00 . A A . 12 ARG NE 1 1 4 1286 1 1 12 ARG NH1 N 0.652 4.673 -5.057 1.00 . A A . 12 ARG NH1 1 1 4 1287 1 1 12 ARG NH2 N 2.147 2.974 -5.423 1.00 . A A . 12 ARG NH2 1 1 4 1288 1 1 12 ARG O O 5.212 2.123 0.279 1.00 . A A . 12 ARG O 1 1 4 1289 1 1 13 ILE C C 4.534 0.195 2.315 1.00 . A A . 13 ILE C 1 1 4 1290 1 1 13 ILE CA C 3.890 1.551 2.654 1.00 . A A . 13 ILE CA 1 1 4 1291 1 1 13 ILE CB C 2.900 1.440 3.878 1.00 . A A . 13 ILE CB 1 1 4 1292 1 1 13 ILE CD1 C 2.725 0.671 6.330 1.00 . A A . 13 ILE CD1 1 1 4 1293 1 1 13 ILE CG1 C 3.602 0.811 5.099 1.00 . A A . 13 ILE CG1 1 1 4 1294 1 1 13 ILE CG2 C 1.635 0.670 3.525 1.00 . A A . 13 ILE CG2 1 1 4 1295 1 1 13 ILE H H 2.325 2.367 1.456 1.00 . A A . 13 ILE H 1 1 4 1296 1 1 13 ILE HA H 4.705 2.207 2.926 1.00 . A A . 13 ILE HA 1 1 4 1297 1 1 13 ILE HB H 2.600 2.444 4.139 1.00 . A A . 13 ILE HB 1 1 4 1298 1 1 13 ILE HD11 H 3.296 0.227 7.131 1.00 . A A . 13 ILE HD11 1 1 4 1299 1 1 13 ILE HD12 H 1.879 0.041 6.098 1.00 . A A . 13 ILE HD12 1 1 4 1300 1 1 13 ILE HD13 H 2.374 1.647 6.634 1.00 . A A . 13 ILE HD13 1 1 4 1301 1 1 13 ILE HG12 H 3.949 -0.177 4.832 1.00 . A A . 13 ILE HG12 1 1 4 1302 1 1 13 ILE HG13 H 4.454 1.421 5.361 1.00 . A A . 13 ILE HG13 1 1 4 1303 1 1 13 ILE HG21 H 0.996 0.607 4.393 1.00 . A A . 13 ILE HG21 1 1 4 1304 1 1 13 ILE HG22 H 1.900 -0.324 3.198 1.00 . A A . 13 ILE HG22 1 1 4 1305 1 1 13 ILE HG23 H 1.114 1.183 2.730 1.00 . A A . 13 ILE HG23 1 1 4 1306 1 1 13 ILE N N 3.289 2.161 1.466 1.00 . A A . 13 ILE N 1 1 4 1307 1 1 13 ILE O O 5.622 -0.119 2.794 1.00 . A A . 13 ILE O 1 1 4 1308 1 1 14 LEU C C 5.630 -1.666 0.059 1.00 . A A . 14 LEU C 1 1 4 1309 1 1 14 LEU CA C 4.445 -1.832 0.994 1.00 . A A . 14 LEU CA 1 1 4 1310 1 1 14 LEU CB C 3.380 -2.768 0.385 1.00 . A A . 14 LEU CB 1 1 4 1311 1 1 14 LEU CD1 C 3.579 -4.713 1.982 1.00 . A A . 14 LEU CD1 1 1 4 1312 1 1 14 LEU CD2 C 1.897 -2.940 2.447 1.00 . A A . 14 LEU CD2 1 1 4 1313 1 1 14 LEU CG C 2.625 -3.709 1.358 1.00 . A A . 14 LEU CG 1 1 4 1314 1 1 14 LEU H H 3.030 -0.270 1.074 1.00 . A A . 14 LEU H 1 1 4 1315 1 1 14 LEU HA H 4.829 -2.300 1.888 1.00 . A A . 14 LEU HA 1 1 4 1316 1 1 14 LEU HB2 H 2.647 -2.152 -0.113 1.00 . A A . 14 LEU HB2 1 1 4 1317 1 1 14 LEU HB3 H 3.867 -3.379 -0.360 1.00 . A A . 14 LEU HB3 1 1 4 1318 1 1 14 LEU HD11 H 4.030 -5.304 1.199 1.00 . A A . 14 LEU HD11 1 1 4 1319 1 1 14 LEU HD12 H 3.031 -5.363 2.649 1.00 . A A . 14 LEU HD12 1 1 4 1320 1 1 14 LEU HD13 H 4.351 -4.202 2.535 1.00 . A A . 14 LEU HD13 1 1 4 1321 1 1 14 LEU HD21 H 1.371 -3.634 3.087 1.00 . A A . 14 LEU HD21 1 1 4 1322 1 1 14 LEU HD22 H 1.193 -2.256 1.996 1.00 . A A . 14 LEU HD22 1 1 4 1323 1 1 14 LEU HD23 H 2.616 -2.386 3.033 1.00 . A A . 14 LEU HD23 1 1 4 1324 1 1 14 LEU HG H 1.899 -4.271 0.789 1.00 . A A . 14 LEU HG 1 1 4 1325 1 1 14 LEU N N 3.900 -0.562 1.434 1.00 . A A . 14 LEU N 1 1 4 1326 1 1 14 LEU O O 6.424 -2.576 -0.077 1.00 . A A . 14 LEU O 1 1 4 1327 1 1 15 ALA C C 8.110 0.133 -0.591 1.00 . A A . 15 ALA C 1 1 4 1328 1 1 15 ALA CA C 6.929 -0.268 -1.439 1.00 . A A . 15 ALA CA 1 1 4 1329 1 1 15 ALA CB C 6.630 0.811 -2.448 1.00 . A A . 15 ALA CB 1 1 4 1330 1 1 15 ALA H H 5.083 0.192 -0.508 1.00 . A A . 15 ALA H 1 1 4 1331 1 1 15 ALA HA H 7.168 -1.184 -1.957 1.00 . A A . 15 ALA HA 1 1 4 1332 1 1 15 ALA HB1 H 7.479 0.946 -3.103 1.00 . A A . 15 ALA HB1 1 1 4 1333 1 1 15 ALA HB2 H 6.424 1.733 -1.927 1.00 . A A . 15 ALA HB2 1 1 4 1334 1 1 15 ALA HB3 H 5.763 0.526 -3.027 1.00 . A A . 15 ALA HB3 1 1 4 1335 1 1 15 ALA N N 5.769 -0.516 -0.578 1.00 . A A . 15 ALA N 1 1 4 1336 1 1 15 ALA O O 9.267 -0.037 -0.966 1.00 . A A . 15 ALA O 1 1 4 1337 1 1 16 LYS C C 9.316 -0.169 2.233 1.00 . A A . 16 LYS C 1 1 4 1338 1 1 16 LYS CA C 8.795 1.077 1.514 1.00 . A A . 16 LYS CA 1 1 4 1339 1 1 16 LYS CB C 8.176 2.102 2.471 1.00 . A A . 16 LYS CB 1 1 4 1340 1 1 16 LYS CD C 8.447 3.838 4.274 1.00 . A A . 16 LYS CD 1 1 4 1341 1 1 16 LYS CE C 7.061 3.517 4.829 1.00 . A A . 16 LYS CE 1 1 4 1342 1 1 16 LYS CG C 9.086 2.637 3.567 1.00 . A A . 16 LYS CG 1 1 4 1343 1 1 16 LYS H H 6.855 0.869 0.732 1.00 . A A . 16 LYS H 1 1 4 1344 1 1 16 LYS HA H 9.615 1.536 0.983 1.00 . A A . 16 LYS HA 1 1 4 1345 1 1 16 LYS HB2 H 7.835 2.945 1.891 1.00 . A A . 16 LYS HB2 1 1 4 1346 1 1 16 LYS HB3 H 7.320 1.637 2.937 1.00 . A A . 16 LYS HB3 1 1 4 1347 1 1 16 LYS HD2 H 9.083 4.142 5.092 1.00 . A A . 16 LYS HD2 1 1 4 1348 1 1 16 LYS HD3 H 8.364 4.651 3.567 1.00 . A A . 16 LYS HD3 1 1 4 1349 1 1 16 LYS HE2 H 6.429 3.183 4.019 1.00 . A A . 16 LYS HE2 1 1 4 1350 1 1 16 LYS HE3 H 7.152 2.729 5.561 1.00 . A A . 16 LYS HE3 1 1 4 1351 1 1 16 LYS HG2 H 9.265 1.855 4.290 1.00 . A A . 16 LYS HG2 1 1 4 1352 1 1 16 LYS HG3 H 10.023 2.944 3.128 1.00 . A A . 16 LYS HG3 1 1 4 1353 1 1 16 LYS HZ1 H 6.372 5.486 4.784 1.00 . A A . 16 LYS HZ1 1 1 4 1354 1 1 16 LYS HZ2 H 6.940 4.998 6.310 1.00 . A A . 16 LYS HZ2 1 1 4 1355 1 1 16 LYS HZ3 H 5.458 4.465 5.743 1.00 . A A . 16 LYS HZ3 1 1 4 1356 1 1 16 LYS N N 7.802 0.689 0.551 1.00 . A A . 16 LYS N 1 1 4 1357 1 1 16 LYS NZ N 6.429 4.695 5.457 1.00 . A A . 16 LYS NZ 1 1 4 1358 1 1 16 LYS O O 10.467 -0.225 2.658 1.00 . A A . 16 LYS O 1 1 4 1359 1 1 17 ILE C C 9.528 -3.321 1.861 1.00 . A A . 17 ILE C 1 1 4 1360 1 1 17 ILE CA C 8.852 -2.446 2.916 1.00 . A A . 17 ILE CA 1 1 4 1361 1 1 17 ILE CB C 7.598 -3.204 3.448 1.00 . A A . 17 ILE CB 1 1 4 1362 1 1 17 ILE CD1 C 5.563 -2.961 4.976 1.00 . A A . 17 ILE CD1 1 1 4 1363 1 1 17 ILE CG1 C 6.887 -2.380 4.519 1.00 . A A . 17 ILE CG1 1 1 4 1364 1 1 17 ILE CG2 C 7.982 -4.581 3.995 1.00 . A A . 17 ILE CG2 1 1 4 1365 1 1 17 ILE H H 7.556 -1.044 1.990 1.00 . A A . 17 ILE H 1 1 4 1366 1 1 17 ILE HA H 9.527 -2.264 3.740 1.00 . A A . 17 ILE HA 1 1 4 1367 1 1 17 ILE HB H 6.925 -3.354 2.616 1.00 . A A . 17 ILE HB 1 1 4 1368 1 1 17 ILE HD11 H 4.878 -2.996 4.143 1.00 . A A . 17 ILE HD11 1 1 4 1369 1 1 17 ILE HD12 H 5.148 -2.342 5.758 1.00 . A A . 17 ILE HD12 1 1 4 1370 1 1 17 ILE HD13 H 5.721 -3.961 5.352 1.00 . A A . 17 ILE HD13 1 1 4 1371 1 1 17 ILE HG12 H 7.527 -2.305 5.384 1.00 . A A . 17 ILE HG12 1 1 4 1372 1 1 17 ILE HG13 H 6.701 -1.389 4.130 1.00 . A A . 17 ILE HG13 1 1 4 1373 1 1 17 ILE HG21 H 8.435 -5.166 3.208 1.00 . A A . 17 ILE HG21 1 1 4 1374 1 1 17 ILE HG22 H 7.098 -5.085 4.356 1.00 . A A . 17 ILE HG22 1 1 4 1375 1 1 17 ILE HG23 H 8.685 -4.459 4.804 1.00 . A A . 17 ILE HG23 1 1 4 1376 1 1 17 ILE N N 8.467 -1.178 2.323 1.00 . A A . 17 ILE N 1 1 4 1377 1 1 17 ILE O O 10.653 -3.787 2.050 1.00 . A A . 17 ILE O 1 1 4 1378 1 1 18 PHE C C 9.734 -3.464 -1.524 1.00 . A A . 18 PHE C 1 1 4 1379 1 1 18 PHE CA C 9.319 -4.302 -0.335 1.00 . A A . 18 PHE CA 1 1 4 1380 1 1 18 PHE CB C 8.186 -5.287 -0.715 1.00 . A A . 18 PHE CB 1 1 4 1381 1 1 18 PHE CD1 C 8.298 -6.004 -3.137 1.00 . A A . 18 PHE CD1 1 1 4 1382 1 1 18 PHE CD2 C 9.024 -7.540 -1.467 1.00 . A A . 18 PHE CD2 1 1 4 1383 1 1 18 PHE CE1 C 8.581 -6.929 -4.120 1.00 . A A . 18 PHE CE1 1 1 4 1384 1 1 18 PHE CE2 C 9.312 -8.471 -2.450 1.00 . A A . 18 PHE CE2 1 1 4 1385 1 1 18 PHE CG C 8.517 -6.297 -1.797 1.00 . A A . 18 PHE CG 1 1 4 1386 1 1 18 PHE CZ C 9.089 -8.163 -3.777 1.00 . A A . 18 PHE CZ 1 1 4 1387 1 1 18 PHE H H 8.050 -2.937 0.568 1.00 . A A . 18 PHE H 1 1 4 1388 1 1 18 PHE HA H 10.168 -4.870 0.016 1.00 . A A . 18 PHE HA 1 1 4 1389 1 1 18 PHE HB2 H 7.905 -5.844 0.166 1.00 . A A . 18 PHE HB2 1 1 4 1390 1 1 18 PHE HB3 H 7.331 -4.713 -1.043 1.00 . A A . 18 PHE HB3 1 1 4 1391 1 1 18 PHE HD1 H 7.902 -5.035 -3.409 1.00 . A A . 18 PHE HD1 1 1 4 1392 1 1 18 PHE HD2 H 9.196 -7.779 -0.427 1.00 . A A . 18 PHE HD2 1 1 4 1393 1 1 18 PHE HE1 H 8.405 -6.688 -5.158 1.00 . A A . 18 PHE HE1 1 1 4 1394 1 1 18 PHE HE2 H 9.710 -9.440 -2.187 1.00 . A A . 18 PHE HE2 1 1 4 1395 1 1 18 PHE HZ H 9.310 -8.888 -4.548 1.00 . A A . 18 PHE HZ 1 1 4 1396 1 1 18 PHE N N 8.877 -3.445 0.728 1.00 . A A . 18 PHE N 1 1 4 1397 1 1 18 PHE O O 8.892 -2.951 -2.276 1.00 . A A . 18 PHE O 1 1 4 1398 1 1 19 LYS C C 12.620 -3.459 -3.378 1.00 . A A . 19 LYS C 1 1 4 1399 1 1 19 LYS CA C 11.584 -2.566 -2.717 1.00 . A A . 19 LYS CA 1 1 4 1400 1 1 19 LYS CB C 12.172 -1.187 -2.267 1.00 . A A . 19 LYS CB 1 1 4 1401 1 1 19 LYS CD C 12.476 -1.436 0.278 1.00 . A A . 19 LYS CD 1 1 4 1402 1 1 19 LYS CE C 13.470 -1.356 1.427 1.00 . A A . 19 LYS CE 1 1 4 1403 1 1 19 LYS CG C 13.156 -1.190 -1.069 1.00 . A A . 19 LYS CG 1 1 4 1404 1 1 19 LYS H H 11.631 -3.631 -0.975 1.00 . A A . 19 LYS H 1 1 4 1405 1 1 19 LYS HA H 10.793 -2.396 -3.432 1.00 . A A . 19 LYS HA 1 1 4 1406 1 1 19 LYS HB2 H 12.693 -0.755 -3.107 1.00 . A A . 19 LYS HB2 1 1 4 1407 1 1 19 LYS HB3 H 11.343 -0.540 -2.018 1.00 . A A . 19 LYS HB3 1 1 4 1408 1 1 19 LYS HD2 H 11.713 -0.688 0.429 1.00 . A A . 19 LYS HD2 1 1 4 1409 1 1 19 LYS HD3 H 12.021 -2.415 0.275 1.00 . A A . 19 LYS HD3 1 1 4 1410 1 1 19 LYS HE2 H 14.261 -2.070 1.255 1.00 . A A . 19 LYS HE2 1 1 4 1411 1 1 19 LYS HE3 H 13.895 -0.364 1.453 1.00 . A A . 19 LYS HE3 1 1 4 1412 1 1 19 LYS HG2 H 13.889 -1.966 -1.226 1.00 . A A . 19 LYS HG2 1 1 4 1413 1 1 19 LYS HG3 H 13.655 -0.237 -1.040 1.00 . A A . 19 LYS HG3 1 1 4 1414 1 1 19 LYS HZ1 H 13.505 -1.499 3.518 1.00 . A A . 19 LYS HZ1 1 1 4 1415 1 1 19 LYS HZ2 H 12.519 -2.635 2.775 1.00 . A A . 19 LYS HZ2 1 1 4 1416 1 1 19 LYS HZ3 H 12.006 -1.033 2.894 1.00 . A A . 19 LYS HZ3 1 1 4 1417 1 1 19 LYS N N 11.006 -3.276 -1.642 1.00 . A A . 19 LYS N 1 1 4 1418 1 1 19 LYS NZ N 12.835 -1.644 2.735 1.00 . A A . 19 LYS NZ 1 1 4 1419 1 1 19 LYS O O 13.761 -3.523 -2.909 1.00 . A A . 19 LYS O 1 1 4 1420 1 1 19 LYS OXT O 12.277 -4.169 -4.342 1.00 . A A . 19 LYS OXT 1 1 5 1421 1 1 1 PRO C C -11.981 6.389 7.104 1.00 . A A . 1 PRO C 1 1 5 1422 1 1 1 PRO CA C -12.250 7.678 7.859 1.00 . A A . 1 PRO CA 1 1 5 1423 1 1 1 PRO CB C -11.153 8.695 7.584 1.00 . A A . 1 PRO CB 1 1 5 1424 1 1 1 PRO CD C -11.261 8.306 9.972 1.00 . A A . 1 PRO CD 1 1 5 1425 1 1 1 PRO CG C -10.899 9.333 8.912 1.00 . A A . 1 PRO CG 1 1 5 1426 1 1 1 PRO H2 H -11.402 6.992 9.611 1.00 . A A . 1 PRO H2 1 1 5 1427 1 1 1 PRO H3 H -13.015 6.670 9.381 1.00 . A A . 1 PRO H3 1 1 5 1428 1 1 1 PRO HA H -13.202 8.085 7.556 1.00 . A A . 1 PRO HA 1 1 5 1429 1 1 1 PRO HB2 H -10.278 8.179 7.219 1.00 . A A . 1 PRO HB2 1 1 5 1430 1 1 1 PRO HB3 H -11.487 9.418 6.854 1.00 . A A . 1 PRO HB3 1 1 5 1431 1 1 1 PRO HD2 H -10.337 7.832 10.281 1.00 . A A . 1 PRO HD2 1 1 5 1432 1 1 1 PRO HD3 H -11.651 8.803 10.851 1.00 . A A . 1 PRO HD3 1 1 5 1433 1 1 1 PRO HG2 H -9.855 9.597 8.995 1.00 . A A . 1 PRO HG2 1 1 5 1434 1 1 1 PRO HG3 H -11.514 10.213 9.020 1.00 . A A . 1 PRO HG3 1 1 5 1435 1 1 1 PRO N N -12.287 7.408 9.274 1.00 . A A . 1 PRO N 1 1 5 1436 1 1 1 PRO O O -11.880 5.315 7.714 1.00 . A A . 1 PRO O 1 1 5 1437 1 1 2 MET C C -10.081 5.331 4.709 1.00 . A A . 2 MET C 1 1 5 1438 1 1 2 MET CA C -11.569 5.353 4.958 1.00 . A A . 2 MET CA 1 1 5 1439 1 1 2 MET CB C -12.301 5.422 3.617 1.00 . A A . 2 MET CB 1 1 5 1440 1 1 2 MET CE C -16.287 4.976 2.536 1.00 . A A . 2 MET CE 1 1 5 1441 1 1 2 MET CG C -13.800 5.257 3.704 1.00 . A A . 2 MET CG 1 1 5 1442 1 1 2 MET H H -12.081 7.350 5.368 1.00 . A A . 2 MET H 1 1 5 1443 1 1 2 MET HA H -11.863 4.453 5.478 1.00 . A A . 2 MET HA 1 1 5 1444 1 1 2 MET HB2 H -12.099 6.379 3.160 1.00 . A A . 2 MET HB2 1 1 5 1445 1 1 2 MET HB3 H -11.913 4.645 2.978 1.00 . A A . 2 MET HB3 1 1 5 1446 1 1 2 MET HE1 H -16.905 4.991 1.650 1.00 . A A . 2 MET HE1 1 1 5 1447 1 1 2 MET HE2 H -16.644 5.712 3.240 1.00 . A A . 2 MET HE2 1 1 5 1448 1 1 2 MET HE3 H -16.329 3.997 2.988 1.00 . A A . 2 MET HE3 1 1 5 1449 1 1 2 MET HG2 H -14.019 4.296 4.144 1.00 . A A . 2 MET HG2 1 1 5 1450 1 1 2 MET HG3 H -14.199 6.039 4.333 1.00 . A A . 2 MET HG3 1 1 5 1451 1 1 2 MET N N -11.897 6.483 5.795 1.00 . A A . 2 MET N 1 1 5 1452 1 1 2 MET O O -9.557 6.183 3.992 1.00 . A A . 2 MET O 1 1 5 1453 1 1 2 MET SD S -14.593 5.352 2.085 1.00 . A A . 2 MET SD 1 1 5 1454 1 1 3 ALA C C -7.618 3.121 4.283 1.00 . A A . 3 ALA C 1 1 5 1455 1 1 3 ALA CA C -7.967 4.301 5.168 1.00 . A A . 3 ALA CA 1 1 5 1456 1 1 3 ALA CB C -7.292 4.174 6.525 1.00 . A A . 3 ALA CB 1 1 5 1457 1 1 3 ALA H H -9.880 3.772 5.900 1.00 . A A . 3 ALA H 1 1 5 1458 1 1 3 ALA HA H -7.618 5.207 4.695 1.00 . A A . 3 ALA HA 1 1 5 1459 1 1 3 ALA HB1 H -7.557 5.021 7.141 1.00 . A A . 3 ALA HB1 1 1 5 1460 1 1 3 ALA HB2 H -6.220 4.147 6.392 1.00 . A A . 3 ALA HB2 1 1 5 1461 1 1 3 ALA HB3 H -7.617 3.263 7.005 1.00 . A A . 3 ALA HB3 1 1 5 1462 1 1 3 ALA N N -9.401 4.407 5.326 1.00 . A A . 3 ALA N 1 1 5 1463 1 1 3 ALA O O -6.928 3.262 3.282 1.00 . A A . 3 ALA O 1 1 5 1464 1 1 4 ARG C C -8.526 0.690 2.529 1.00 . A A . 4 ARG C 1 1 5 1465 1 1 4 ARG CA C -7.870 0.722 3.906 1.00 . A A . 4 ARG CA 1 1 5 1466 1 1 4 ARG CB C -8.305 -0.481 4.739 1.00 . A A . 4 ARG CB 1 1 5 1467 1 1 4 ARG CD C -8.077 -1.768 6.890 1.00 . A A . 4 ARG CD 1 1 5 1468 1 1 4 ARG CG C -7.582 -0.588 6.073 1.00 . A A . 4 ARG CG 1 1 5 1469 1 1 4 ARG CZ C -8.139 -4.248 6.710 1.00 . A A . 4 ARG CZ 1 1 5 1470 1 1 4 ARG H H -8.804 1.946 5.361 1.00 . A A . 4 ARG H 1 1 5 1471 1 1 4 ARG HA H -6.799 0.678 3.770 1.00 . A A . 4 ARG HA 1 1 5 1472 1 1 4 ARG HB2 H -9.365 -0.403 4.932 1.00 . A A . 4 ARG HB2 1 1 5 1473 1 1 4 ARG HB3 H -8.117 -1.383 4.176 1.00 . A A . 4 ARG HB3 1 1 5 1474 1 1 4 ARG HD2 H -7.557 -1.782 7.835 1.00 . A A . 4 ARG HD2 1 1 5 1475 1 1 4 ARG HD3 H -9.136 -1.643 7.060 1.00 . A A . 4 ARG HD3 1 1 5 1476 1 1 4 ARG HE H -7.484 -2.966 5.300 1.00 . A A . 4 ARG HE 1 1 5 1477 1 1 4 ARG HG2 H -6.525 -0.712 5.888 1.00 . A A . 4 ARG HG2 1 1 5 1478 1 1 4 ARG HG3 H -7.745 0.322 6.631 1.00 . A A . 4 ARG HG3 1 1 5 1479 1 1 4 ARG HH11 H -8.652 -3.583 8.575 1.00 . A A . 4 ARG HH11 1 1 5 1480 1 1 4 ARG HH12 H -8.771 -5.260 8.379 1.00 . A A . 4 ARG HH12 1 1 5 1481 1 1 4 ARG HH21 H -7.623 -5.260 5.021 1.00 . A A . 4 ARG HH21 1 1 5 1482 1 1 4 ARG HH22 H -8.172 -6.245 6.309 1.00 . A A . 4 ARG HH22 1 1 5 1483 1 1 4 ARG N N -8.166 1.968 4.616 1.00 . A A . 4 ARG N 1 1 5 1484 1 1 4 ARG NE N -7.858 -3.044 6.208 1.00 . A A . 4 ARG NE 1 1 5 1485 1 1 4 ARG NH1 N -8.547 -4.373 7.966 1.00 . A A . 4 ARG NH1 1 1 5 1486 1 1 4 ARG NH2 N -7.966 -5.326 5.963 1.00 . A A . 4 ARG NH2 1 1 5 1487 1 1 4 ARG O O -8.166 -0.117 1.672 1.00 . A A . 4 ARG O 1 1 5 1488 1 1 5 ASN C C -9.278 2.418 0.021 1.00 . A A . 5 ASN C 1 1 5 1489 1 1 5 ASN CA C -10.174 1.701 1.047 1.00 . A A . 5 ASN CA 1 1 5 1490 1 1 5 ASN CB C -11.501 2.470 1.239 1.00 . A A . 5 ASN CB 1 1 5 1491 1 1 5 ASN CG C -12.421 2.448 0.018 1.00 . A A . 5 ASN CG 1 1 5 1492 1 1 5 ASN H H -9.731 2.166 3.067 1.00 . A A . 5 ASN H 1 1 5 1493 1 1 5 ASN HA H -10.388 0.705 0.690 1.00 . A A . 5 ASN HA 1 1 5 1494 1 1 5 ASN HB2 H -12.044 2.047 2.070 1.00 . A A . 5 ASN HB2 1 1 5 1495 1 1 5 ASN HB3 H -11.259 3.498 1.460 1.00 . A A . 5 ASN HB3 1 1 5 1496 1 1 5 ASN HD21 H -13.184 4.213 0.506 1.00 . A A . 5 ASN HD21 1 1 5 1497 1 1 5 ASN HD22 H -13.800 3.496 -0.928 1.00 . A A . 5 ASN HD22 1 1 5 1498 1 1 5 ASN N N -9.472 1.585 2.320 1.00 . A A . 5 ASN N 1 1 5 1499 1 1 5 ASN ND2 N -13.206 3.482 -0.148 1.00 . A A . 5 ASN ND2 1 1 5 1500 1 1 5 ASN O O -9.617 2.520 -1.161 1.00 . A A . 5 ASN O 1 1 5 1501 1 1 5 ASN OD1 O -12.444 1.487 -0.754 1.00 . A A . 5 ASN OD1 1 1 5 1502 1 1 6 LYS C C -5.978 2.631 -0.604 1.00 . A A . 6 LYS C 1 1 5 1503 1 1 6 LYS CA C -7.172 3.571 -0.370 1.00 . A A . 6 LYS CA 1 1 5 1504 1 1 6 LYS CB C -6.664 4.840 0.295 1.00 . A A . 6 LYS CB 1 1 5 1505 1 1 6 LYS CD C -7.137 6.975 1.436 1.00 . A A . 6 LYS CD 1 1 5 1506 1 1 6 LYS CE C -8.136 8.089 1.687 1.00 . A A . 6 LYS CE 1 1 5 1507 1 1 6 LYS CG C -7.733 5.852 0.631 1.00 . A A . 6 LYS CG 1 1 5 1508 1 1 6 LYS H H -7.926 2.907 1.440 1.00 . A A . 6 LYS H 1 1 5 1509 1 1 6 LYS HA H -7.641 3.829 -1.307 1.00 . A A . 6 LYS HA 1 1 5 1510 1 1 6 LYS HB2 H -6.166 4.567 1.214 1.00 . A A . 6 LYS HB2 1 1 5 1511 1 1 6 LYS HB3 H -5.946 5.309 -0.361 1.00 . A A . 6 LYS HB3 1 1 5 1512 1 1 6 LYS HD2 H -6.809 6.571 2.382 1.00 . A A . 6 LYS HD2 1 1 5 1513 1 1 6 LYS HD3 H -6.288 7.344 0.885 1.00 . A A . 6 LYS HD3 1 1 5 1514 1 1 6 LYS HE2 H -8.462 8.488 0.738 1.00 . A A . 6 LYS HE2 1 1 5 1515 1 1 6 LYS HE3 H -8.986 7.675 2.210 1.00 . A A . 6 LYS HE3 1 1 5 1516 1 1 6 LYS HG2 H -8.141 6.249 -0.285 1.00 . A A . 6 LYS HG2 1 1 5 1517 1 1 6 LYS HG3 H -8.511 5.373 1.208 1.00 . A A . 6 LYS HG3 1 1 5 1518 1 1 6 LYS HZ1 H -6.707 9.573 2.042 1.00 . A A . 6 LYS HZ1 1 1 5 1519 1 1 6 LYS HZ2 H -7.273 8.838 3.435 1.00 . A A . 6 LYS HZ2 1 1 5 1520 1 1 6 LYS HZ3 H -8.230 9.966 2.643 1.00 . A A . 6 LYS HZ3 1 1 5 1521 1 1 6 LYS N N -8.142 2.934 0.483 1.00 . A A . 6 LYS N 1 1 5 1522 1 1 6 LYS NZ N -7.556 9.185 2.497 1.00 . A A . 6 LYS NZ 1 1 5 1523 1 1 6 LYS O O -5.035 2.612 0.195 1.00 . A A . 6 LYS O 1 1 5 1524 1 1 7 PRO C C -3.592 1.636 -2.304 1.00 . A A . 7 PRO C 1 1 5 1525 1 1 7 PRO CA C -4.893 0.902 -1.971 1.00 . A A . 7 PRO CA 1 1 5 1526 1 1 7 PRO CB C -5.389 0.096 -3.176 1.00 . A A . 7 PRO CB 1 1 5 1527 1 1 7 PRO CD C -7.086 1.675 -2.656 1.00 . A A . 7 PRO CD 1 1 5 1528 1 1 7 PRO CG C -6.443 0.941 -3.786 1.00 . A A . 7 PRO CG 1 1 5 1529 1 1 7 PRO HA H -4.711 0.238 -1.139 1.00 . A A . 7 PRO HA 1 1 5 1530 1 1 7 PRO HB2 H -4.568 -0.074 -3.855 1.00 . A A . 7 PRO HB2 1 1 5 1531 1 1 7 PRO HB3 H -5.786 -0.850 -2.840 1.00 . A A . 7 PRO HB3 1 1 5 1532 1 1 7 PRO HD2 H -7.455 2.634 -2.985 1.00 . A A . 7 PRO HD2 1 1 5 1533 1 1 7 PRO HD3 H -7.896 1.091 -2.243 1.00 . A A . 7 PRO HD3 1 1 5 1534 1 1 7 PRO HG2 H -5.993 1.639 -4.477 1.00 . A A . 7 PRO HG2 1 1 5 1535 1 1 7 PRO HG3 H -7.165 0.319 -4.294 1.00 . A A . 7 PRO HG3 1 1 5 1536 1 1 7 PRO N N -5.994 1.814 -1.675 1.00 . A A . 7 PRO N 1 1 5 1537 1 1 7 PRO O O -2.514 1.049 -2.229 1.00 . A A . 7 PRO O 1 1 5 1538 1 1 8 LYS C C -1.601 3.856 -1.738 1.00 . A A . 8 LYS C 1 1 5 1539 1 1 8 LYS CA C -2.509 3.713 -2.955 1.00 . A A . 8 LYS CA 1 1 5 1540 1 1 8 LYS CB C -2.867 5.094 -3.544 1.00 . A A . 8 LYS CB 1 1 5 1541 1 1 8 LYS CD C -4.008 7.312 -3.327 1.00 . A A . 8 LYS CD 1 1 5 1542 1 1 8 LYS CE C -4.853 8.225 -2.457 1.00 . A A . 8 LYS CE 1 1 5 1543 1 1 8 LYS CG C -3.669 6.014 -2.623 1.00 . A A . 8 LYS CG 1 1 5 1544 1 1 8 LYS H H -4.583 3.327 -2.703 1.00 . A A . 8 LYS H 1 1 5 1545 1 1 8 LYS HA H -1.960 3.154 -3.699 1.00 . A A . 8 LYS HA 1 1 5 1546 1 1 8 LYS HB2 H -1.950 5.605 -3.796 1.00 . A A . 8 LYS HB2 1 1 5 1547 1 1 8 LYS HB3 H -3.434 4.943 -4.450 1.00 . A A . 8 LYS HB3 1 1 5 1548 1 1 8 LYS HD2 H -3.091 7.819 -3.587 1.00 . A A . 8 LYS HD2 1 1 5 1549 1 1 8 LYS HD3 H -4.555 7.074 -4.227 1.00 . A A . 8 LYS HD3 1 1 5 1550 1 1 8 LYS HE2 H -5.768 7.712 -2.201 1.00 . A A . 8 LYS HE2 1 1 5 1551 1 1 8 LYS HE3 H -4.305 8.449 -1.554 1.00 . A A . 8 LYS HE3 1 1 5 1552 1 1 8 LYS HG2 H -4.579 5.519 -2.320 1.00 . A A . 8 LYS HG2 1 1 5 1553 1 1 8 LYS HG3 H -3.073 6.234 -1.750 1.00 . A A . 8 LYS HG3 1 1 5 1554 1 1 8 LYS HZ1 H -5.775 10.107 -2.556 1.00 . A A . 8 LYS HZ1 1 1 5 1555 1 1 8 LYS HZ2 H -5.713 9.305 -4.029 1.00 . A A . 8 LYS HZ2 1 1 5 1556 1 1 8 LYS HZ3 H -4.320 10.009 -3.405 1.00 . A A . 8 LYS HZ3 1 1 5 1557 1 1 8 LYS N N -3.689 2.923 -2.643 1.00 . A A . 8 LYS N 1 1 5 1558 1 1 8 LYS NZ N -5.185 9.492 -3.152 1.00 . A A . 8 LYS NZ 1 1 5 1559 1 1 8 LYS O O -0.390 3.701 -1.846 1.00 . A A . 8 LYS O 1 1 5 1560 1 1 9 ILE C C -0.814 2.903 1.049 1.00 . A A . 9 ILE C 1 1 5 1561 1 1 9 ILE CA C -1.381 4.250 0.635 1.00 . A A . 9 ILE CA 1 1 5 1562 1 1 9 ILE CB C -2.146 4.924 1.832 1.00 . A A . 9 ILE CB 1 1 5 1563 1 1 9 ILE CD1 C -3.967 4.601 3.607 1.00 . A A . 9 ILE CD1 1 1 5 1564 1 1 9 ILE CG1 C -3.271 4.032 2.385 1.00 . A A . 9 ILE CG1 1 1 5 1565 1 1 9 ILE CG2 C -2.715 6.271 1.398 1.00 . A A . 9 ILE CG2 1 1 5 1566 1 1 9 ILE H H -3.167 4.118 -0.504 1.00 . A A . 9 ILE H 1 1 5 1567 1 1 9 ILE HA H -0.546 4.874 0.350 1.00 . A A . 9 ILE HA 1 1 5 1568 1 1 9 ILE HB H -1.424 5.114 2.612 1.00 . A A . 9 ILE HB 1 1 5 1569 1 1 9 ILE HD11 H -4.742 3.921 3.930 1.00 . A A . 9 ILE HD11 1 1 5 1570 1 1 9 ILE HD12 H -4.408 5.555 3.356 1.00 . A A . 9 ILE HD12 1 1 5 1571 1 1 9 ILE HD13 H -3.249 4.733 4.403 1.00 . A A . 9 ILE HD13 1 1 5 1572 1 1 9 ILE HG12 H -4.017 3.888 1.617 1.00 . A A . 9 ILE HG12 1 1 5 1573 1 1 9 ILE HG13 H -2.856 3.070 2.653 1.00 . A A . 9 ILE HG13 1 1 5 1574 1 1 9 ILE HG21 H -3.401 6.123 0.577 1.00 . A A . 9 ILE HG21 1 1 5 1575 1 1 9 ILE HG22 H -1.912 6.919 1.083 1.00 . A A . 9 ILE HG22 1 1 5 1576 1 1 9 ILE HG23 H -3.240 6.724 2.227 1.00 . A A . 9 ILE HG23 1 1 5 1577 1 1 9 ILE N N -2.189 4.081 -0.561 1.00 . A A . 9 ILE N 1 1 5 1578 1 1 9 ILE O O 0.323 2.805 1.501 1.00 . A A . 9 ILE O 1 1 5 1579 1 1 10 LEU C C -0.056 0.052 0.240 1.00 . A A . 10 LEU C 1 1 5 1580 1 1 10 LEU CA C -1.216 0.500 1.124 1.00 . A A . 10 LEU CA 1 1 5 1581 1 1 10 LEU CB C -2.412 -0.446 0.965 1.00 . A A . 10 LEU CB 1 1 5 1582 1 1 10 LEU CD1 C -4.760 -1.117 1.540 1.00 . A A . 10 LEU CD1 1 1 5 1583 1 1 10 LEU CD2 C -3.288 -0.172 3.318 1.00 . A A . 10 LEU CD2 1 1 5 1584 1 1 10 LEU CG C -3.642 -0.137 1.834 1.00 . A A . 10 LEU CG 1 1 5 1585 1 1 10 LEU H H -2.475 2.029 0.401 1.00 . A A . 10 LEU H 1 1 5 1586 1 1 10 LEU HA H -0.891 0.481 2.153 1.00 . A A . 10 LEU HA 1 1 5 1587 1 1 10 LEU HB2 H -2.719 -0.421 -0.070 1.00 . A A . 10 LEU HB2 1 1 5 1588 1 1 10 LEU HB3 H -2.081 -1.446 1.196 1.00 . A A . 10 LEU HB3 1 1 5 1589 1 1 10 LEU HD11 H -5.041 -1.049 0.500 1.00 . A A . 10 LEU HD11 1 1 5 1590 1 1 10 LEU HD12 H -5.614 -0.886 2.158 1.00 . A A . 10 LEU HD12 1 1 5 1591 1 1 10 LEU HD13 H -4.421 -2.120 1.755 1.00 . A A . 10 LEU HD13 1 1 5 1592 1 1 10 LEU HD21 H -2.540 0.578 3.532 1.00 . A A . 10 LEU HD21 1 1 5 1593 1 1 10 LEU HD22 H -2.899 -1.147 3.573 1.00 . A A . 10 LEU HD22 1 1 5 1594 1 1 10 LEU HD23 H -4.174 0.025 3.903 1.00 . A A . 10 LEU HD23 1 1 5 1595 1 1 10 LEU HG H -4.001 0.854 1.594 1.00 . A A . 10 LEU HG 1 1 5 1596 1 1 10 LEU N N -1.599 1.858 0.806 1.00 . A A . 10 LEU N 1 1 5 1597 1 1 10 LEU O O 0.869 -0.605 0.704 1.00 . A A . 10 LEU O 1 1 5 1598 1 1 11 LYS C C 2.238 0.858 -1.603 1.00 . A A . 11 LYS C 1 1 5 1599 1 1 11 LYS CA C 0.952 0.122 -1.973 1.00 . A A . 11 LYS CA 1 1 5 1600 1 1 11 LYS CB C 0.509 0.488 -3.406 1.00 . A A . 11 LYS CB 1 1 5 1601 1 1 11 LYS CD C 2.055 -1.131 -4.609 1.00 . A A . 11 LYS CD 1 1 5 1602 1 1 11 LYS CE C 3.158 -1.244 -5.644 1.00 . A A . 11 LYS CE 1 1 5 1603 1 1 11 LYS CG C 1.584 0.312 -4.481 1.00 . A A . 11 LYS CG 1 1 5 1604 1 1 11 LYS H H -0.886 0.940 -1.336 1.00 . A A . 11 LYS H 1 1 5 1605 1 1 11 LYS HA H 1.133 -0.941 -1.923 1.00 . A A . 11 LYS HA 1 1 5 1606 1 1 11 LYS HB2 H -0.332 -0.133 -3.674 1.00 . A A . 11 LYS HB2 1 1 5 1607 1 1 11 LYS HB3 H 0.192 1.520 -3.410 1.00 . A A . 11 LYS HB3 1 1 5 1608 1 1 11 LYS HD2 H 2.431 -1.469 -3.655 1.00 . A A . 11 LYS HD2 1 1 5 1609 1 1 11 LYS HD3 H 1.221 -1.747 -4.914 1.00 . A A . 11 LYS HD3 1 1 5 1610 1 1 11 LYS HE2 H 2.789 -0.881 -6.591 1.00 . A A . 11 LYS HE2 1 1 5 1611 1 1 11 LYS HE3 H 3.985 -0.626 -5.325 1.00 . A A . 11 LYS HE3 1 1 5 1612 1 1 11 LYS HG2 H 1.181 0.627 -5.432 1.00 . A A . 11 LYS HG2 1 1 5 1613 1 1 11 LYS HG3 H 2.428 0.936 -4.228 1.00 . A A . 11 LYS HG3 1 1 5 1614 1 1 11 LYS HZ1 H 4.372 -2.666 -6.542 1.00 . A A . 11 LYS HZ1 1 1 5 1615 1 1 11 LYS HZ2 H 2.871 -3.264 -6.122 1.00 . A A . 11 LYS HZ2 1 1 5 1616 1 1 11 LYS HZ3 H 4.037 -2.999 -4.933 1.00 . A A . 11 LYS HZ3 1 1 5 1617 1 1 11 LYS N N -0.103 0.436 -1.021 1.00 . A A . 11 LYS N 1 1 5 1618 1 1 11 LYS NZ N 3.632 -2.625 -5.814 1.00 . A A . 11 LYS NZ 1 1 5 1619 1 1 11 LYS O O 3.320 0.262 -1.571 1.00 . A A . 11 LYS O 1 1 5 1620 1 1 12 ARG C C 3.971 2.399 0.289 1.00 . A A . 12 ARG C 1 1 5 1621 1 1 12 ARG CA C 3.277 2.940 -0.946 1.00 . A A . 12 ARG CA 1 1 5 1622 1 1 12 ARG CB C 2.931 4.417 -0.776 1.00 . A A . 12 ARG CB 1 1 5 1623 1 1 12 ARG CD C 2.192 6.553 -1.851 1.00 . A A . 12 ARG CD 1 1 5 1624 1 1 12 ARG CG C 2.388 5.066 -2.038 1.00 . A A . 12 ARG CG 1 1 5 1625 1 1 12 ARG CZ C 3.619 8.410 -0.992 1.00 . A A . 12 ARG CZ 1 1 5 1626 1 1 12 ARG H H 1.221 2.551 -1.294 1.00 . A A . 12 ARG H 1 1 5 1627 1 1 12 ARG HA H 3.966 2.839 -1.772 1.00 . A A . 12 ARG HA 1 1 5 1628 1 1 12 ARG HB2 H 2.187 4.511 0.001 1.00 . A A . 12 ARG HB2 1 1 5 1629 1 1 12 ARG HB3 H 3.821 4.950 -0.476 1.00 . A A . 12 ARG HB3 1 1 5 1630 1 1 12 ARG HD2 H 1.719 6.959 -2.733 1.00 . A A . 12 ARG HD2 1 1 5 1631 1 1 12 ARG HD3 H 1.558 6.713 -0.993 1.00 . A A . 12 ARG HD3 1 1 5 1632 1 1 12 ARG HE H 4.251 6.785 -2.020 1.00 . A A . 12 ARG HE 1 1 5 1633 1 1 12 ARG HG2 H 3.085 4.900 -2.844 1.00 . A A . 12 ARG HG2 1 1 5 1634 1 1 12 ARG HG3 H 1.439 4.611 -2.283 1.00 . A A . 12 ARG HG3 1 1 5 1635 1 1 12 ARG HH11 H 1.649 8.632 -0.519 1.00 . A A . 12 ARG HH11 1 1 5 1636 1 1 12 ARG HH12 H 2.646 9.892 0.027 1.00 . A A . 12 ARG HH12 1 1 5 1637 1 1 12 ARG HH21 H 5.624 8.508 -1.287 1.00 . A A . 12 ARG HH21 1 1 5 1638 1 1 12 ARG HH22 H 4.989 9.827 -0.422 1.00 . A A . 12 ARG HH22 1 1 5 1639 1 1 12 ARG N N 2.114 2.139 -1.288 1.00 . A A . 12 ARG N 1 1 5 1640 1 1 12 ARG NE N 3.471 7.244 -1.633 1.00 . A A . 12 ARG NE 1 1 5 1641 1 1 12 ARG NH1 N 2.574 9.019 -0.462 1.00 . A A . 12 ARG NH1 1 1 5 1642 1 1 12 ARG NH2 N 4.818 8.955 -0.888 1.00 . A A . 12 ARG NH2 1 1 5 1643 1 1 12 ARG O O 5.167 2.119 0.250 1.00 . A A . 12 ARG O 1 1 5 1644 1 1 13 ILE C C 4.386 0.246 2.363 1.00 . A A . 13 ILE C 1 1 5 1645 1 1 13 ILE CA C 3.806 1.642 2.590 1.00 . A A . 13 ILE CA 1 1 5 1646 1 1 13 ILE CB C 2.832 1.637 3.804 1.00 . A A . 13 ILE CB 1 1 5 1647 1 1 13 ILE CD1 C 0.657 0.622 4.703 1.00 . A A . 13 ILE CD1 1 1 5 1648 1 1 13 ILE CG1 C 1.623 0.724 3.546 1.00 . A A . 13 ILE CG1 1 1 5 1649 1 1 13 ILE CG2 C 2.384 3.060 4.124 1.00 . A A . 13 ILE CG2 1 1 5 1650 1 1 13 ILE H H 2.250 2.363 1.329 1.00 . A A . 13 ILE H 1 1 5 1651 1 1 13 ILE HA H 4.640 2.293 2.816 1.00 . A A . 13 ILE HA 1 1 5 1652 1 1 13 ILE HB H 3.379 1.268 4.659 1.00 . A A . 13 ILE HB 1 1 5 1653 1 1 13 ILE HD11 H 1.173 0.228 5.566 1.00 . A A . 13 ILE HD11 1 1 5 1654 1 1 13 ILE HD12 H -0.157 -0.037 4.437 1.00 . A A . 13 ILE HD12 1 1 5 1655 1 1 13 ILE HD13 H 0.266 1.602 4.934 1.00 . A A . 13 ILE HD13 1 1 5 1656 1 1 13 ILE HG12 H 1.078 1.106 2.696 1.00 . A A . 13 ILE HG12 1 1 5 1657 1 1 13 ILE HG13 H 1.978 -0.270 3.315 1.00 . A A . 13 ILE HG13 1 1 5 1658 1 1 13 ILE HG21 H 3.245 3.668 4.359 1.00 . A A . 13 ILE HG21 1 1 5 1659 1 1 13 ILE HG22 H 1.711 3.044 4.968 1.00 . A A . 13 ILE HG22 1 1 5 1660 1 1 13 ILE HG23 H 1.873 3.475 3.266 1.00 . A A . 13 ILE HG23 1 1 5 1661 1 1 13 ILE N N 3.215 2.170 1.360 1.00 . A A . 13 ILE N 1 1 5 1662 1 1 13 ILE O O 5.348 -0.141 3.006 1.00 . A A . 13 ILE O 1 1 5 1663 1 1 14 LEU C C 5.678 -1.623 0.372 1.00 . A A . 14 LEU C 1 1 5 1664 1 1 14 LEU CA C 4.329 -1.789 1.036 1.00 . A A . 14 LEU CA 1 1 5 1665 1 1 14 LEU CB C 3.366 -2.499 0.077 1.00 . A A . 14 LEU CB 1 1 5 1666 1 1 14 LEU CD1 C 3.796 -4.877 0.790 1.00 . A A . 14 LEU CD1 1 1 5 1667 1 1 14 LEU CD2 C 2.831 -4.397 -1.467 1.00 . A A . 14 LEU CD2 1 1 5 1668 1 1 14 LEU CG C 3.768 -3.906 -0.381 1.00 . A A . 14 LEU CG 1 1 5 1669 1 1 14 LEU H H 3.047 -0.122 0.924 1.00 . A A . 14 LEU H 1 1 5 1670 1 1 14 LEU HA H 4.447 -2.379 1.932 1.00 . A A . 14 LEU HA 1 1 5 1671 1 1 14 LEU HB2 H 2.401 -2.565 0.556 1.00 . A A . 14 LEU HB2 1 1 5 1672 1 1 14 LEU HB3 H 3.263 -1.880 -0.801 1.00 . A A . 14 LEU HB3 1 1 5 1673 1 1 14 LEU HD11 H 4.078 -5.857 0.433 1.00 . A A . 14 LEU HD11 1 1 5 1674 1 1 14 LEU HD12 H 2.818 -4.926 1.244 1.00 . A A . 14 LEU HD12 1 1 5 1675 1 1 14 LEU HD13 H 4.517 -4.542 1.522 1.00 . A A . 14 LEU HD13 1 1 5 1676 1 1 14 LEU HD21 H 1.821 -4.425 -1.084 1.00 . A A . 14 LEU HD21 1 1 5 1677 1 1 14 LEU HD22 H 3.127 -5.388 -1.777 1.00 . A A . 14 LEU HD22 1 1 5 1678 1 1 14 LEU HD23 H 2.876 -3.727 -2.313 1.00 . A A . 14 LEU HD23 1 1 5 1679 1 1 14 LEU HG H 4.766 -3.863 -0.791 1.00 . A A . 14 LEU HG 1 1 5 1680 1 1 14 LEU N N 3.822 -0.482 1.406 1.00 . A A . 14 LEU N 1 1 5 1681 1 1 14 LEU O O 6.593 -2.400 0.609 1.00 . A A . 14 LEU O 1 1 5 1682 1 1 15 ALA C C 8.118 0.185 -0.149 1.00 . A A . 15 ALA C 1 1 5 1683 1 1 15 ALA CA C 7.045 -0.296 -1.112 1.00 . A A . 15 ALA CA 1 1 5 1684 1 1 15 ALA CB C 6.818 0.720 -2.224 1.00 . A A . 15 ALA CB 1 1 5 1685 1 1 15 ALA H H 5.082 0.105 -0.490 1.00 . A A . 15 ALA H 1 1 5 1686 1 1 15 ALA HA H 7.364 -1.225 -1.556 1.00 . A A . 15 ALA HA 1 1 5 1687 1 1 15 ALA HB1 H 6.502 1.658 -1.792 1.00 . A A . 15 ALA HB1 1 1 5 1688 1 1 15 ALA HB2 H 6.055 0.357 -2.895 1.00 . A A . 15 ALA HB2 1 1 5 1689 1 1 15 ALA HB3 H 7.738 0.868 -2.769 1.00 . A A . 15 ALA HB3 1 1 5 1690 1 1 15 ALA N N 5.816 -0.553 -0.401 1.00 . A A . 15 ALA N 1 1 5 1691 1 1 15 ALA O O 9.316 0.046 -0.406 1.00 . A A . 15 ALA O 1 1 5 1692 1 1 16 LYS C C 9.035 0.129 2.887 1.00 . A A . 16 LYS C 1 1 5 1693 1 1 16 LYS CA C 8.567 1.253 1.962 1.00 . A A . 16 LYS CA 1 1 5 1694 1 1 16 LYS CB C 7.848 2.332 2.780 1.00 . A A . 16 LYS CB 1 1 5 1695 1 1 16 LYS CD C 7.930 4.036 4.650 1.00 . A A . 16 LYS CD 1 1 5 1696 1 1 16 LYS CE C 7.259 5.109 3.798 1.00 . A A . 16 LYS CE 1 1 5 1697 1 1 16 LYS CG C 8.730 3.045 3.805 1.00 . A A . 16 LYS CG 1 1 5 1698 1 1 16 LYS H H 6.709 0.804 1.066 1.00 . A A . 16 LYS H 1 1 5 1699 1 1 16 LYS HA H 9.421 1.699 1.475 1.00 . A A . 16 LYS HA 1 1 5 1700 1 1 16 LYS HB2 H 7.456 3.068 2.094 1.00 . A A . 16 LYS HB2 1 1 5 1701 1 1 16 LYS HB3 H 7.023 1.871 3.303 1.00 . A A . 16 LYS HB3 1 1 5 1702 1 1 16 LYS HD2 H 7.169 3.491 5.188 1.00 . A A . 16 LYS HD2 1 1 5 1703 1 1 16 LYS HD3 H 8.596 4.510 5.357 1.00 . A A . 16 LYS HD3 1 1 5 1704 1 1 16 LYS HE2 H 8.019 5.660 3.263 1.00 . A A . 16 LYS HE2 1 1 5 1705 1 1 16 LYS HE3 H 6.602 4.631 3.088 1.00 . A A . 16 LYS HE3 1 1 5 1706 1 1 16 LYS HG2 H 9.175 2.308 4.457 1.00 . A A . 16 LYS HG2 1 1 5 1707 1 1 16 LYS HG3 H 9.511 3.579 3.282 1.00 . A A . 16 LYS HG3 1 1 5 1708 1 1 16 LYS HZ1 H 6.004 6.752 3.991 1.00 . A A . 16 LYS HZ1 1 1 5 1709 1 1 16 LYS HZ2 H 7.064 6.581 5.284 1.00 . A A . 16 LYS HZ2 1 1 5 1710 1 1 16 LYS HZ3 H 5.722 5.568 5.148 1.00 . A A . 16 LYS HZ3 1 1 5 1711 1 1 16 LYS N N 7.680 0.738 0.952 1.00 . A A . 16 LYS N 1 1 5 1712 1 1 16 LYS NZ N 6.468 6.057 4.612 1.00 . A A . 16 LYS NZ 1 1 5 1713 1 1 16 LYS O O 10.239 -0.045 3.116 1.00 . A A . 16 LYS O 1 1 5 1714 1 1 17 ILE C C 8.981 -2.923 3.725 1.00 . A A . 17 ILE C 1 1 5 1715 1 1 17 ILE CA C 8.368 -1.671 4.373 1.00 . A A . 17 ILE CA 1 1 5 1716 1 1 17 ILE CB C 7.071 -2.063 5.155 1.00 . A A . 17 ILE CB 1 1 5 1717 1 1 17 ILE CD1 C 5.150 -1.090 6.562 1.00 . A A . 17 ILE CD1 1 1 5 1718 1 1 17 ILE CG1 C 6.472 -0.830 5.858 1.00 . A A . 17 ILE CG1 1 1 5 1719 1 1 17 ILE CG2 C 7.361 -3.161 6.179 1.00 . A A . 17 ILE CG2 1 1 5 1720 1 1 17 ILE H H 7.156 -0.487 3.117 1.00 . A A . 17 ILE H 1 1 5 1721 1 1 17 ILE HA H 9.073 -1.268 5.084 1.00 . A A . 17 ILE HA 1 1 5 1722 1 1 17 ILE HB H 6.351 -2.444 4.447 1.00 . A A . 17 ILE HB 1 1 5 1723 1 1 17 ILE HD11 H 4.419 -1.427 5.841 1.00 . A A . 17 ILE HD11 1 1 5 1724 1 1 17 ILE HD12 H 4.803 -0.180 7.027 1.00 . A A . 17 ILE HD12 1 1 5 1725 1 1 17 ILE HD13 H 5.287 -1.851 7.316 1.00 . A A . 17 ILE HD13 1 1 5 1726 1 1 17 ILE HG12 H 7.171 -0.477 6.600 1.00 . A A . 17 ILE HG12 1 1 5 1727 1 1 17 ILE HG13 H 6.314 -0.052 5.125 1.00 . A A . 17 ILE HG13 1 1 5 1728 1 1 17 ILE HG21 H 7.748 -4.030 5.670 1.00 . A A . 17 ILE HG21 1 1 5 1729 1 1 17 ILE HG22 H 6.449 -3.419 6.696 1.00 . A A . 17 ILE HG22 1 1 5 1730 1 1 17 ILE HG23 H 8.087 -2.805 6.894 1.00 . A A . 17 ILE HG23 1 1 5 1731 1 1 17 ILE N N 8.089 -0.632 3.398 1.00 . A A . 17 ILE N 1 1 5 1732 1 1 17 ILE O O 10.031 -3.410 4.161 1.00 . A A . 17 ILE O 1 1 5 1733 1 1 18 PHE C C 9.842 -4.443 0.996 1.00 . A A . 18 PHE C 1 1 5 1734 1 1 18 PHE CA C 8.759 -4.644 2.053 1.00 . A A . 18 PHE CA 1 1 5 1735 1 1 18 PHE CB C 7.511 -5.340 1.480 1.00 . A A . 18 PHE CB 1 1 5 1736 1 1 18 PHE CD1 C 7.622 -6.859 -0.515 1.00 . A A . 18 PHE CD1 1 1 5 1737 1 1 18 PHE CD2 C 8.079 -7.774 1.633 1.00 . A A . 18 PHE CD2 1 1 5 1738 1 1 18 PHE CE1 C 7.826 -8.093 -1.089 1.00 . A A . 18 PHE CE1 1 1 5 1739 1 1 18 PHE CE2 C 8.286 -9.009 1.064 1.00 . A A . 18 PHE CE2 1 1 5 1740 1 1 18 PHE CG C 7.745 -6.685 0.854 1.00 . A A . 18 PHE CG 1 1 5 1741 1 1 18 PHE CZ C 8.159 -9.170 -0.298 1.00 . A A . 18 PHE CZ 1 1 5 1742 1 1 18 PHE H H 7.658 -2.873 2.231 1.00 . A A . 18 PHE H 1 1 5 1743 1 1 18 PHE HA H 9.168 -5.269 2.833 1.00 . A A . 18 PHE HA 1 1 5 1744 1 1 18 PHE HB2 H 6.795 -5.481 2.276 1.00 . A A . 18 PHE HB2 1 1 5 1745 1 1 18 PHE HB3 H 7.072 -4.694 0.733 1.00 . A A . 18 PHE HB3 1 1 5 1746 1 1 18 PHE HD1 H 7.362 -6.015 -1.138 1.00 . A A . 18 PHE HD1 1 1 5 1747 1 1 18 PHE HD2 H 8.179 -7.651 2.702 1.00 . A A . 18 PHE HD2 1 1 5 1748 1 1 18 PHE HE1 H 7.726 -8.218 -2.158 1.00 . A A . 18 PHE HE1 1 1 5 1749 1 1 18 PHE HE2 H 8.547 -9.853 1.687 1.00 . A A . 18 PHE HE2 1 1 5 1750 1 1 18 PHE HZ H 8.318 -10.139 -0.747 1.00 . A A . 18 PHE HZ 1 1 5 1751 1 1 18 PHE N N 8.374 -3.390 2.663 1.00 . A A . 18 PHE N 1 1 5 1752 1 1 18 PHE O O 9.566 -4.045 -0.136 1.00 . A A . 18 PHE O 1 1 5 1753 1 1 19 LYS C C 13.088 -5.813 0.526 1.00 . A A . 19 LYS C 1 1 5 1754 1 1 19 LYS CA C 12.204 -4.551 0.508 1.00 . A A . 19 LYS CA 1 1 5 1755 1 1 19 LYS CB C 12.966 -3.214 0.792 1.00 . A A . 19 LYS CB 1 1 5 1756 1 1 19 LYS CD C 13.964 -3.636 3.126 1.00 . A A . 19 LYS CD 1 1 5 1757 1 1 19 LYS CE C 13.962 -3.219 4.589 1.00 . A A . 19 LYS CE 1 1 5 1758 1 1 19 LYS CG C 13.045 -2.769 2.279 1.00 . A A . 19 LYS CG 1 1 5 1759 1 1 19 LYS H H 11.236 -4.966 2.313 1.00 . A A . 19 LYS H 1 1 5 1760 1 1 19 LYS HA H 11.781 -4.496 -0.484 1.00 . A A . 19 LYS HA 1 1 5 1761 1 1 19 LYS HB2 H 13.978 -3.319 0.431 1.00 . A A . 19 LYS HB2 1 1 5 1762 1 1 19 LYS HB3 H 12.486 -2.425 0.231 1.00 . A A . 19 LYS HB3 1 1 5 1763 1 1 19 LYS HD2 H 13.649 -4.665 3.053 1.00 . A A . 19 LYS HD2 1 1 5 1764 1 1 19 LYS HD3 H 14.968 -3.540 2.737 1.00 . A A . 19 LYS HD3 1 1 5 1765 1 1 19 LYS HE2 H 14.691 -3.811 5.122 1.00 . A A . 19 LYS HE2 1 1 5 1766 1 1 19 LYS HE3 H 14.235 -2.176 4.649 1.00 . A A . 19 LYS HE3 1 1 5 1767 1 1 19 LYS HG2 H 13.402 -1.751 2.321 1.00 . A A . 19 LYS HG2 1 1 5 1768 1 1 19 LYS HG3 H 12.048 -2.805 2.694 1.00 . A A . 19 LYS HG3 1 1 5 1769 1 1 19 LYS HZ1 H 11.902 -2.840 4.759 1.00 . A A . 19 LYS HZ1 1 1 5 1770 1 1 19 LYS HZ2 H 12.665 -3.107 6.219 1.00 . A A . 19 LYS HZ2 1 1 5 1771 1 1 19 LYS HZ3 H 12.337 -4.401 5.199 1.00 . A A . 19 LYS HZ3 1 1 5 1772 1 1 19 LYS N N 11.070 -4.686 1.387 1.00 . A A . 19 LYS N 1 1 5 1773 1 1 19 LYS NZ N 12.640 -3.408 5.225 1.00 . A A . 19 LYS NZ 1 1 5 1774 1 1 19 LYS O O 12.657 -6.849 -0.052 1.00 . A A . 19 LYS O 1 1 5 1775 1 1 19 LYS OXT O 14.185 -5.817 1.101 1.00 . A A . 19 LYS OXT 1 1 6 1776 1 1 1 PRO C C -17.462 -3.110 1.019 1.00 . A A . 1 PRO C 1 1 6 1777 1 1 1 PRO CA C -18.018 -4.514 0.976 1.00 . A A . 1 PRO CA 1 1 6 1778 1 1 1 PRO CB C -18.551 -4.815 -0.417 1.00 . A A . 1 PRO CB 1 1 6 1779 1 1 1 PRO CD C -20.342 -5.048 1.170 1.00 . A A . 1 PRO CD 1 1 6 1780 1 1 1 PRO CG C -20.033 -4.680 -0.264 1.00 . A A . 1 PRO CG 1 1 6 1781 1 1 1 PRO H2 H -18.708 -4.346 2.845 1.00 . A A . 1 PRO H2 1 1 6 1782 1 1 1 PRO H3 H -19.405 -5.598 2.093 1.00 . A A . 1 PRO H3 1 1 6 1783 1 1 1 PRO HA H -17.244 -5.224 1.224 1.00 . A A . 1 PRO HA 1 1 6 1784 1 1 1 PRO HB2 H -18.149 -4.100 -1.119 1.00 . A A . 1 PRO HB2 1 1 6 1785 1 1 1 PRO HB3 H -18.274 -5.816 -0.713 1.00 . A A . 1 PRO HB3 1 1 6 1786 1 1 1 PRO HD2 H -21.258 -4.557 1.474 1.00 . A A . 1 PRO HD2 1 1 6 1787 1 1 1 PRO HD3 H -20.509 -6.116 1.200 1.00 . A A . 1 PRO HD3 1 1 6 1788 1 1 1 PRO HG2 H -20.331 -3.661 -0.463 1.00 . A A . 1 PRO HG2 1 1 6 1789 1 1 1 PRO HG3 H -20.535 -5.356 -0.938 1.00 . A A . 1 PRO HG3 1 1 6 1790 1 1 1 PRO N N -19.101 -4.622 1.921 1.00 . A A . 1 PRO N 1 1 6 1791 1 1 1 PRO O O -18.132 -2.159 0.632 1.00 . A A . 1 PRO O 1 1 6 1792 1 1 2 MET C C -14.121 -1.871 1.675 1.00 . A A . 2 MET C 1 1 6 1793 1 1 2 MET CA C -15.617 -1.679 1.622 1.00 . A A . 2 MET CA 1 1 6 1794 1 1 2 MET CB C -16.109 -0.903 2.869 1.00 . A A . 2 MET CB 1 1 6 1795 1 1 2 MET CE C -15.476 0.707 5.608 1.00 . A A . 2 MET CE 1 1 6 1796 1 1 2 MET CG C -15.916 -1.646 4.193 1.00 . A A . 2 MET CG 1 1 6 1797 1 1 2 MET H H -15.780 -3.752 1.876 1.00 . A A . 2 MET H 1 1 6 1798 1 1 2 MET HA H -15.866 -1.117 0.736 1.00 . A A . 2 MET HA 1 1 6 1799 1 1 2 MET HB2 H -15.568 0.030 2.923 1.00 . A A . 2 MET HB2 1 1 6 1800 1 1 2 MET HB3 H -17.160 -0.687 2.749 1.00 . A A . 2 MET HB3 1 1 6 1801 1 1 2 MET HE1 H -15.599 1.214 4.663 1.00 . A A . 2 MET HE1 1 1 6 1802 1 1 2 MET HE2 H -14.445 0.407 5.728 1.00 . A A . 2 MET HE2 1 1 6 1803 1 1 2 MET HE3 H -15.754 1.372 6.412 1.00 . A A . 2 MET HE3 1 1 6 1804 1 1 2 MET HG2 H -16.446 -2.584 4.138 1.00 . A A . 2 MET HG2 1 1 6 1805 1 1 2 MET HG3 H -14.863 -1.844 4.328 1.00 . A A . 2 MET HG3 1 1 6 1806 1 1 2 MET N N -16.267 -2.971 1.530 1.00 . A A . 2 MET N 1 1 6 1807 1 1 2 MET O O -13.635 -2.791 2.341 1.00 . A A . 2 MET O 1 1 6 1808 1 1 2 MET SD S -16.530 -0.739 5.632 1.00 . A A . 2 MET SD 1 1 6 1809 1 1 3 ALA C C -11.500 -0.358 2.213 1.00 . A A . 3 ALA C 1 1 6 1810 1 1 3 ALA CA C -11.960 -1.102 0.984 1.00 . A A . 3 ALA CA 1 1 6 1811 1 1 3 ALA CB C -11.370 -0.486 -0.280 1.00 . A A . 3 ALA CB 1 1 6 1812 1 1 3 ALA H H -13.827 -0.373 0.396 1.00 . A A . 3 ALA H 1 1 6 1813 1 1 3 ALA HA H -11.657 -2.136 1.059 1.00 . A A . 3 ALA HA 1 1 6 1814 1 1 3 ALA HB1 H -11.723 -1.030 -1.145 1.00 . A A . 3 ALA HB1 1 1 6 1815 1 1 3 ALA HB2 H -10.293 -0.542 -0.236 1.00 . A A . 3 ALA HB2 1 1 6 1816 1 1 3 ALA HB3 H -11.672 0.548 -0.354 1.00 . A A . 3 ALA HB3 1 1 6 1817 1 1 3 ALA N N -13.398 -1.056 0.956 1.00 . A A . 3 ALA N 1 1 6 1818 1 1 3 ALA O O -11.807 0.827 2.382 1.00 . A A . 3 ALA O 1 1 6 1819 1 1 4 ARG C C -9.149 0.350 4.118 1.00 . A A . 4 ARG C 1 1 6 1820 1 1 4 ARG CA C -10.399 -0.466 4.325 1.00 . A A . 4 ARG CA 1 1 6 1821 1 1 4 ARG CB C -10.168 -1.549 5.387 1.00 . A A . 4 ARG CB 1 1 6 1822 1 1 4 ARG CD C -12.616 -1.711 5.982 1.00 . A A . 4 ARG CD 1 1 6 1823 1 1 4 ARG CG C -11.355 -2.478 5.630 1.00 . A A . 4 ARG CG 1 1 6 1824 1 1 4 ARG CZ C -13.232 -0.586 8.120 1.00 . A A . 4 ARG CZ 1 1 6 1825 1 1 4 ARG H H -10.565 -1.972 2.882 1.00 . A A . 4 ARG H 1 1 6 1826 1 1 4 ARG HA H -11.177 0.195 4.669 1.00 . A A . 4 ARG HA 1 1 6 1827 1 1 4 ARG HB2 H -9.320 -2.154 5.101 1.00 . A A . 4 ARG HB2 1 1 6 1828 1 1 4 ARG HB3 H -9.936 -1.056 6.318 1.00 . A A . 4 ARG HB3 1 1 6 1829 1 1 4 ARG HD2 H -12.936 -1.163 5.109 1.00 . A A . 4 ARG HD2 1 1 6 1830 1 1 4 ARG HD3 H -13.382 -2.416 6.263 1.00 . A A . 4 ARG HD3 1 1 6 1831 1 1 4 ARG HE H -11.608 -0.196 6.996 1.00 . A A . 4 ARG HE 1 1 6 1832 1 1 4 ARG HG2 H -11.538 -3.050 4.732 1.00 . A A . 4 ARG HG2 1 1 6 1833 1 1 4 ARG HG3 H -11.116 -3.153 6.439 1.00 . A A . 4 ARG HG3 1 1 6 1834 1 1 4 ARG HH11 H -14.519 -2.122 7.651 1.00 . A A . 4 ARG HH11 1 1 6 1835 1 1 4 ARG HH12 H -14.913 -1.276 9.063 1.00 . A A . 4 ARG HH12 1 1 6 1836 1 1 4 ARG HH21 H -12.203 1.005 8.900 1.00 . A A . 4 ARG HH21 1 1 6 1837 1 1 4 ARG HH22 H -13.564 0.555 9.797 1.00 . A A . 4 ARG HH22 1 1 6 1838 1 1 4 ARG N N -10.818 -1.046 3.084 1.00 . A A . 4 ARG N 1 1 6 1839 1 1 4 ARG NE N -12.409 -0.761 7.082 1.00 . A A . 4 ARG NE 1 1 6 1840 1 1 4 ARG NH1 N -14.290 -1.376 8.283 1.00 . A A . 4 ARG NH1 1 1 6 1841 1 1 4 ARG NH2 N -12.988 0.385 8.992 1.00 . A A . 4 ARG NH2 1 1 6 1842 1 1 4 ARG O O -9.193 1.589 4.063 1.00 . A A . 4 ARG O 1 1 6 1843 1 1 5 ASN C C -6.696 0.661 2.279 1.00 . A A . 5 ASN C 1 1 6 1844 1 1 5 ASN CA C -6.781 0.284 3.733 1.00 . A A . 5 ASN CA 1 1 6 1845 1 1 5 ASN CB C -5.647 -0.664 4.162 1.00 . A A . 5 ASN CB 1 1 6 1846 1 1 5 ASN CG C -4.250 -0.088 3.975 1.00 . A A . 5 ASN CG 1 1 6 1847 1 1 5 ASN H H -8.137 -1.316 3.967 1.00 . A A . 5 ASN H 1 1 6 1848 1 1 5 ASN HA H -6.745 1.185 4.328 1.00 . A A . 5 ASN HA 1 1 6 1849 1 1 5 ASN HB2 H -5.770 -0.897 5.209 1.00 . A A . 5 ASN HB2 1 1 6 1850 1 1 5 ASN HB3 H -5.723 -1.576 3.589 1.00 . A A . 5 ASN HB3 1 1 6 1851 1 1 5 ASN HD21 H -3.489 -1.908 3.971 1.00 . A A . 5 ASN HD21 1 1 6 1852 1 1 5 ASN HD22 H -2.354 -0.626 3.793 1.00 . A A . 5 ASN HD22 1 1 6 1853 1 1 5 ASN N N -8.061 -0.338 3.956 1.00 . A A . 5 ASN N 1 1 6 1854 1 1 5 ASN ND2 N -3.272 -0.953 3.900 1.00 . A A . 5 ASN ND2 1 1 6 1855 1 1 5 ASN O O -6.773 -0.205 1.403 1.00 . A A . 5 ASN O 1 1 6 1856 1 1 5 ASN OD1 O -4.052 1.121 3.963 1.00 . A A . 5 ASN OD1 1 1 6 1857 1 1 6 LYS C C -5.474 1.949 -0.143 1.00 . A A . 6 LYS C 1 1 6 1858 1 1 6 LYS CA C -6.640 2.491 0.673 1.00 . A A . 6 LYS CA 1 1 6 1859 1 1 6 LYS CB C -6.610 4.027 0.701 1.00 . A A . 6 LYS CB 1 1 6 1860 1 1 6 LYS CD C -9.060 4.264 1.267 1.00 . A A . 6 LYS CD 1 1 6 1861 1 1 6 LYS CE C -10.042 4.785 2.298 1.00 . A A . 6 LYS CE 1 1 6 1862 1 1 6 LYS CG C -7.639 4.654 1.629 1.00 . A A . 6 LYS CG 1 1 6 1863 1 1 6 LYS H H -6.496 2.561 2.786 1.00 . A A . 6 LYS H 1 1 6 1864 1 1 6 LYS HA H -7.563 2.168 0.218 1.00 . A A . 6 LYS HA 1 1 6 1865 1 1 6 LYS HB2 H -5.634 4.354 1.020 1.00 . A A . 6 LYS HB2 1 1 6 1866 1 1 6 LYS HB3 H -6.791 4.393 -0.299 1.00 . A A . 6 LYS HB3 1 1 6 1867 1 1 6 LYS HD2 H -9.307 4.679 0.301 1.00 . A A . 6 LYS HD2 1 1 6 1868 1 1 6 LYS HD3 H -9.132 3.187 1.230 1.00 . A A . 6 LYS HD3 1 1 6 1869 1 1 6 LYS HE2 H -9.963 5.860 2.339 1.00 . A A . 6 LYS HE2 1 1 6 1870 1 1 6 LYS HE3 H -11.043 4.511 2.007 1.00 . A A . 6 LYS HE3 1 1 6 1871 1 1 6 LYS HG2 H -7.442 4.325 2.637 1.00 . A A . 6 LYS HG2 1 1 6 1872 1 1 6 LYS HG3 H -7.548 5.729 1.583 1.00 . A A . 6 LYS HG3 1 1 6 1873 1 1 6 LYS HZ1 H -9.711 3.199 3.653 1.00 . A A . 6 LYS HZ1 1 1 6 1874 1 1 6 LYS HZ2 H -10.532 4.493 4.302 1.00 . A A . 6 LYS HZ2 1 1 6 1875 1 1 6 LYS HZ3 H -8.883 4.619 4.041 1.00 . A A . 6 LYS HZ3 1 1 6 1876 1 1 6 LYS N N -6.608 1.951 2.026 1.00 . A A . 6 LYS N 1 1 6 1877 1 1 6 LYS NZ N -9.766 4.240 3.646 1.00 . A A . 6 LYS NZ 1 1 6 1878 1 1 6 LYS O O -4.324 2.132 0.237 1.00 . A A . 6 LYS O 1 1 6 1879 1 1 7 PRO C C -3.547 1.462 -2.471 1.00 . A A . 7 PRO C 1 1 6 1880 1 1 7 PRO CA C -4.772 0.602 -2.146 1.00 . A A . 7 PRO CA 1 1 6 1881 1 1 7 PRO CB C -5.556 0.308 -3.424 1.00 . A A . 7 PRO CB 1 1 6 1882 1 1 7 PRO CD C -7.150 1.056 -1.802 1.00 . A A . 7 PRO CD 1 1 6 1883 1 1 7 PRO CG C -6.954 0.115 -2.961 1.00 . A A . 7 PRO CG 1 1 6 1884 1 1 7 PRO HA H -4.442 -0.331 -1.715 1.00 . A A . 7 PRO HA 1 1 6 1885 1 1 7 PRO HB2 H -5.471 1.147 -4.098 1.00 . A A . 7 PRO HB2 1 1 6 1886 1 1 7 PRO HB3 H -5.168 -0.584 -3.895 1.00 . A A . 7 PRO HB3 1 1 6 1887 1 1 7 PRO HD2 H -7.583 1.987 -2.135 1.00 . A A . 7 PRO HD2 1 1 6 1888 1 1 7 PRO HD3 H -7.776 0.590 -1.057 1.00 . A A . 7 PRO HD3 1 1 6 1889 1 1 7 PRO HG2 H -7.640 0.354 -3.759 1.00 . A A . 7 PRO HG2 1 1 6 1890 1 1 7 PRO HG3 H -7.097 -0.908 -2.641 1.00 . A A . 7 PRO HG3 1 1 6 1891 1 1 7 PRO N N -5.775 1.263 -1.279 1.00 . A A . 7 PRO N 1 1 6 1892 1 1 7 PRO O O -2.432 0.946 -2.567 1.00 . A A . 7 PRO O 1 1 6 1893 1 1 8 LYS C C -1.688 3.820 -1.800 1.00 . A A . 8 LYS C 1 1 6 1894 1 1 8 LYS CA C -2.694 3.685 -2.949 1.00 . A A . 8 LYS CA 1 1 6 1895 1 1 8 LYS CB C -3.281 5.044 -3.317 1.00 . A A . 8 LYS CB 1 1 6 1896 1 1 8 LYS CD C -4.930 6.344 -4.677 1.00 . A A . 8 LYS CD 1 1 6 1897 1 1 8 LYS CE C -6.036 6.260 -5.718 1.00 . A A . 8 LYS CE 1 1 6 1898 1 1 8 LYS CG C -4.298 4.989 -4.438 1.00 . A A . 8 LYS CG 1 1 6 1899 1 1 8 LYS H H -4.664 3.089 -2.445 1.00 . A A . 8 LYS H 1 1 6 1900 1 1 8 LYS HA H -2.179 3.283 -3.809 1.00 . A A . 8 LYS HA 1 1 6 1901 1 1 8 LYS HB2 H -3.770 5.456 -2.451 1.00 . A A . 8 LYS HB2 1 1 6 1902 1 1 8 LYS HB3 H -2.480 5.704 -3.617 1.00 . A A . 8 LYS HB3 1 1 6 1903 1 1 8 LYS HD2 H -5.342 6.706 -3.748 1.00 . A A . 8 LYS HD2 1 1 6 1904 1 1 8 LYS HD3 H -4.171 7.028 -5.023 1.00 . A A . 8 LYS HD3 1 1 6 1905 1 1 8 LYS HE2 H -5.614 5.927 -6.654 1.00 . A A . 8 LYS HE2 1 1 6 1906 1 1 8 LYS HE3 H -6.773 5.544 -5.384 1.00 . A A . 8 LYS HE3 1 1 6 1907 1 1 8 LYS HG2 H -3.805 4.667 -5.344 1.00 . A A . 8 LYS HG2 1 1 6 1908 1 1 8 LYS HG3 H -5.068 4.280 -4.173 1.00 . A A . 8 LYS HG3 1 1 6 1909 1 1 8 LYS HZ1 H -7.458 7.487 -6.631 1.00 . A A . 8 LYS HZ1 1 1 6 1910 1 1 8 LYS HZ2 H -6.010 8.272 -6.256 1.00 . A A . 8 LYS HZ2 1 1 6 1911 1 1 8 LYS HZ3 H -7.098 7.917 -5.037 1.00 . A A . 8 LYS HZ3 1 1 6 1912 1 1 8 LYS N N -3.756 2.757 -2.603 1.00 . A A . 8 LYS N 1 1 6 1913 1 1 8 LYS NZ N -6.697 7.562 -5.929 1.00 . A A . 8 LYS NZ 1 1 6 1914 1 1 8 LYS O O -0.495 3.556 -1.983 1.00 . A A . 8 LYS O 1 1 6 1915 1 1 9 ILE C C -0.754 2.959 0.968 1.00 . A A . 9 ILE C 1 1 6 1916 1 1 9 ILE CA C -1.265 4.338 0.531 1.00 . A A . 9 ILE CA 1 1 6 1917 1 1 9 ILE CB C -1.907 5.124 1.735 1.00 . A A . 9 ILE CB 1 1 6 1918 1 1 9 ILE CD1 C 0.283 6.304 2.365 1.00 . A A . 9 ILE CD1 1 1 6 1919 1 1 9 ILE CG1 C -0.865 5.422 2.826 1.00 . A A . 9 ILE CG1 1 1 6 1920 1 1 9 ILE CG2 C -3.083 4.369 2.339 1.00 . A A . 9 ILE CG2 1 1 6 1921 1 1 9 ILE H H -3.115 4.406 -0.498 1.00 . A A . 9 ILE H 1 1 6 1922 1 1 9 ILE HA H -0.412 4.889 0.163 1.00 . A A . 9 ILE HA 1 1 6 1923 1 1 9 ILE HB H -2.280 6.064 1.354 1.00 . A A . 9 ILE HB 1 1 6 1924 1 1 9 ILE HD11 H 0.954 6.474 3.194 1.00 . A A . 9 ILE HD11 1 1 6 1925 1 1 9 ILE HD12 H -0.103 7.249 2.012 1.00 . A A . 9 ILE HD12 1 1 6 1926 1 1 9 ILE HD13 H 0.821 5.813 1.568 1.00 . A A . 9 ILE HD13 1 1 6 1927 1 1 9 ILE HG12 H -1.350 5.922 3.652 1.00 . A A . 9 ILE HG12 1 1 6 1928 1 1 9 ILE HG13 H -0.450 4.489 3.174 1.00 . A A . 9 ILE HG13 1 1 6 1929 1 1 9 ILE HG21 H -3.552 4.968 3.105 1.00 . A A . 9 ILE HG21 1 1 6 1930 1 1 9 ILE HG22 H -2.720 3.450 2.776 1.00 . A A . 9 ILE HG22 1 1 6 1931 1 1 9 ILE HG23 H -3.795 4.135 1.563 1.00 . A A . 9 ILE HG23 1 1 6 1932 1 1 9 ILE N N -2.162 4.199 -0.612 1.00 . A A . 9 ILE N 1 1 6 1933 1 1 9 ILE O O 0.383 2.827 1.405 1.00 . A A . 9 ILE O 1 1 6 1934 1 1 10 LEU C C 0.003 0.192 0.301 1.00 . A A . 10 LEU C 1 1 6 1935 1 1 10 LEU CA C -1.260 0.539 1.061 1.00 . A A . 10 LEU CA 1 1 6 1936 1 1 10 LEU CB C -2.449 -0.365 0.603 1.00 . A A . 10 LEU CB 1 1 6 1937 1 1 10 LEU CD1 C -3.794 -2.476 0.596 1.00 . A A . 10 LEU CD1 1 1 6 1938 1 1 10 LEU CD2 C -1.393 -2.638 0.038 1.00 . A A . 10 LEU CD2 1 1 6 1939 1 1 10 LEU CG C -2.424 -1.896 0.889 1.00 . A A . 10 LEU CG 1 1 6 1940 1 1 10 LEU H H -2.504 2.140 0.454 1.00 . A A . 10 LEU H 1 1 6 1941 1 1 10 LEU HA H -1.106 0.421 2.122 1.00 . A A . 10 LEU HA 1 1 6 1942 1 1 10 LEU HB2 H -3.344 0.026 1.062 1.00 . A A . 10 LEU HB2 1 1 6 1943 1 1 10 LEU HB3 H -2.551 -0.228 -0.465 1.00 . A A . 10 LEU HB3 1 1 6 1944 1 1 10 LEU HD11 H -4.529 -2.003 1.229 1.00 . A A . 10 LEU HD11 1 1 6 1945 1 1 10 LEU HD12 H -3.782 -3.538 0.788 1.00 . A A . 10 LEU HD12 1 1 6 1946 1 1 10 LEU HD13 H -4.046 -2.302 -0.440 1.00 . A A . 10 LEU HD13 1 1 6 1947 1 1 10 LEU HD21 H -1.626 -2.501 -1.008 1.00 . A A . 10 LEU HD21 1 1 6 1948 1 1 10 LEU HD22 H -1.414 -3.691 0.276 1.00 . A A . 10 LEU HD22 1 1 6 1949 1 1 10 LEU HD23 H -0.408 -2.243 0.240 1.00 . A A . 10 LEU HD23 1 1 6 1950 1 1 10 LEU HG H -2.208 -2.062 1.934 1.00 . A A . 10 LEU HG 1 1 6 1951 1 1 10 LEU N N -1.598 1.935 0.778 1.00 . A A . 10 LEU N 1 1 6 1952 1 1 10 LEU O O 0.980 -0.300 0.879 1.00 . A A . 10 LEU O 1 1 6 1953 1 1 11 LYS C C 2.283 1.027 -1.503 1.00 . A A . 11 LYS C 1 1 6 1954 1 1 11 LYS CA C 1.056 0.236 -1.890 1.00 . A A . 11 LYS CA 1 1 6 1955 1 1 11 LYS CB C 0.617 0.581 -3.303 1.00 . A A . 11 LYS CB 1 1 6 1956 1 1 11 LYS CD C 0.968 0.490 -5.734 1.00 . A A . 11 LYS CD 1 1 6 1957 1 1 11 LYS CE C 1.897 0.181 -6.874 1.00 . A A . 11 LYS CE 1 1 6 1958 1 1 11 LYS CG C 1.619 0.285 -4.393 1.00 . A A . 11 LYS CG 1 1 6 1959 1 1 11 LYS H H -0.835 0.936 -1.337 1.00 . A A . 11 LYS H 1 1 6 1960 1 1 11 LYS HA H 1.283 -0.819 -1.850 1.00 . A A . 11 LYS HA 1 1 6 1961 1 1 11 LYS HB2 H -0.288 0.037 -3.527 1.00 . A A . 11 LYS HB2 1 1 6 1962 1 1 11 LYS HB3 H 0.390 1.637 -3.333 1.00 . A A . 11 LYS HB3 1 1 6 1963 1 1 11 LYS HD2 H 0.105 -0.155 -5.807 1.00 . A A . 11 LYS HD2 1 1 6 1964 1 1 11 LYS HD3 H 0.652 1.521 -5.806 1.00 . A A . 11 LYS HD3 1 1 6 1965 1 1 11 LYS HE2 H 2.668 0.936 -6.904 1.00 . A A . 11 LYS HE2 1 1 6 1966 1 1 11 LYS HE3 H 2.343 -0.789 -6.715 1.00 . A A . 11 LYS HE3 1 1 6 1967 1 1 11 LYS HG2 H 2.462 0.952 -4.294 1.00 . A A . 11 LYS HG2 1 1 6 1968 1 1 11 LYS HG3 H 1.947 -0.741 -4.310 1.00 . A A . 11 LYS HG3 1 1 6 1969 1 1 11 LYS HZ1 H 0.717 1.090 -8.344 1.00 . A A . 11 LYS HZ1 1 1 6 1970 1 1 11 LYS HZ2 H 0.448 -0.561 -8.153 1.00 . A A . 11 LYS HZ2 1 1 6 1971 1 1 11 LYS HZ3 H 1.833 -0.032 -8.939 1.00 . A A . 11 LYS HZ3 1 1 6 1972 1 1 11 LYS N N -0.028 0.501 -0.982 1.00 . A A . 11 LYS N 1 1 6 1973 1 1 11 LYS NZ N 1.179 0.179 -8.157 1.00 . A A . 11 LYS NZ 1 1 6 1974 1 1 11 LYS O O 3.378 0.520 -1.557 1.00 . A A . 11 LYS O 1 1 6 1975 1 1 12 ARG C C 3.887 2.531 0.544 1.00 . A A . 12 ARG C 1 1 6 1976 1 1 12 ARG CA C 3.179 3.106 -0.682 1.00 . A A . 12 ARG CA 1 1 6 1977 1 1 12 ARG CB C 2.711 4.537 -0.422 1.00 . A A . 12 ARG CB 1 1 6 1978 1 1 12 ARG CD C 3.115 5.361 -2.760 1.00 . A A . 12 ARG CD 1 1 6 1979 1 1 12 ARG CG C 3.421 5.563 -1.285 1.00 . A A . 12 ARG CG 1 1 6 1980 1 1 12 ARG CZ C 1.133 5.475 -4.261 1.00 . A A . 12 ARG CZ 1 1 6 1981 1 1 12 ARG H H 1.162 2.606 -1.070 1.00 . A A . 12 ARG H 1 1 6 1982 1 1 12 ARG HA H 3.893 3.114 -1.492 1.00 . A A . 12 ARG HA 1 1 6 1983 1 1 12 ARG HB2 H 1.651 4.597 -0.625 1.00 . A A . 12 ARG HB2 1 1 6 1984 1 1 12 ARG HB3 H 2.888 4.781 0.615 1.00 . A A . 12 ARG HB3 1 1 6 1985 1 1 12 ARG HD2 H 3.760 6.004 -3.339 1.00 . A A . 12 ARG HD2 1 1 6 1986 1 1 12 ARG HD3 H 3.311 4.333 -3.025 1.00 . A A . 12 ARG HD3 1 1 6 1987 1 1 12 ARG HE H 1.208 6.106 -2.352 1.00 . A A . 12 ARG HE 1 1 6 1988 1 1 12 ARG HG2 H 3.089 6.548 -0.997 1.00 . A A . 12 ARG HG2 1 1 6 1989 1 1 12 ARG HG3 H 4.487 5.481 -1.134 1.00 . A A . 12 ARG HG3 1 1 6 1990 1 1 12 ARG HH11 H 2.679 4.419 -5.092 1.00 . A A . 12 ARG HH11 1 1 6 1991 1 1 12 ARG HH12 H 1.351 4.643 -6.123 1.00 . A A . 12 ARG HH12 1 1 6 1992 1 1 12 ARG HH21 H -0.578 6.411 -3.730 1.00 . A A . 12 ARG HH21 1 1 6 1993 1 1 12 ARG HH22 H -0.574 5.828 -5.341 1.00 . A A . 12 ARG HH22 1 1 6 1994 1 1 12 ARG N N 2.081 2.261 -1.088 1.00 . A A . 12 ARG N 1 1 6 1995 1 1 12 ARG NE N 1.717 5.672 -3.076 1.00 . A A . 12 ARG NE 1 1 6 1996 1 1 12 ARG NH1 N 1.760 4.802 -5.221 1.00 . A A . 12 ARG NH1 1 1 6 1997 1 1 12 ARG NH2 N -0.094 5.927 -4.465 1.00 . A A . 12 ARG NH2 1 1 6 1998 1 1 12 ARG O O 5.109 2.336 0.526 1.00 . A A . 12 ARG O 1 1 6 1999 1 1 13 ILE C C 4.398 0.336 2.482 1.00 . A A . 13 ILE C 1 1 6 2000 1 1 13 ILE CA C 3.653 1.632 2.816 1.00 . A A . 13 ILE CA 1 1 6 2001 1 1 13 ILE CB C 2.516 1.329 3.836 1.00 . A A . 13 ILE CB 1 1 6 2002 1 1 13 ILE CD1 C 0.468 2.364 4.972 1.00 . A A . 13 ILE CD1 1 1 6 2003 1 1 13 ILE CG1 C 1.723 2.604 4.152 1.00 . A A . 13 ILE CG1 1 1 6 2004 1 1 13 ILE CG2 C 3.098 0.751 5.121 1.00 . A A . 13 ILE CG2 1 1 6 2005 1 1 13 ILE H H 2.145 2.370 1.510 1.00 . A A . 13 ILE H 1 1 6 2006 1 1 13 ILE HA H 4.343 2.340 3.249 1.00 . A A . 13 ILE HA 1 1 6 2007 1 1 13 ILE HB H 1.849 0.598 3.399 1.00 . A A . 13 ILE HB 1 1 6 2008 1 1 13 ILE HD11 H -0.013 3.308 5.183 1.00 . A A . 13 ILE HD11 1 1 6 2009 1 1 13 ILE HD12 H 0.727 1.871 5.897 1.00 . A A . 13 ILE HD12 1 1 6 2010 1 1 13 ILE HD13 H -0.209 1.736 4.411 1.00 . A A . 13 ILE HD13 1 1 6 2011 1 1 13 ILE HG12 H 2.354 3.280 4.709 1.00 . A A . 13 ILE HG12 1 1 6 2012 1 1 13 ILE HG13 H 1.432 3.075 3.225 1.00 . A A . 13 ILE HG13 1 1 6 2013 1 1 13 ILE HG21 H 2.301 0.527 5.813 1.00 . A A . 13 ILE HG21 1 1 6 2014 1 1 13 ILE HG22 H 3.768 1.473 5.566 1.00 . A A . 13 ILE HG22 1 1 6 2015 1 1 13 ILE HG23 H 3.645 -0.152 4.893 1.00 . A A . 13 ILE HG23 1 1 6 2016 1 1 13 ILE N N 3.116 2.212 1.580 1.00 . A A . 13 ILE N 1 1 6 2017 1 1 13 ILE O O 5.535 0.099 2.943 1.00 . A A . 13 ILE O 1 1 6 2018 1 1 14 LEU C C 5.607 -1.445 0.335 1.00 . A A . 14 LEU C 1 1 6 2019 1 1 14 LEU CA C 4.335 -1.690 1.154 1.00 . A A . 14 LEU CA 1 1 6 2020 1 1 14 LEU CB C 3.293 -2.447 0.311 1.00 . A A . 14 LEU CB 1 1 6 2021 1 1 14 LEU CD1 C 3.982 -4.801 0.893 1.00 . A A . 14 LEU CD1 1 1 6 2022 1 1 14 LEU CD2 C 2.621 -4.364 -1.160 1.00 . A A . 14 LEU CD2 1 1 6 2023 1 1 14 LEU CG C 3.700 -3.820 -0.236 1.00 . A A . 14 LEU CG 1 1 6 2024 1 1 14 LEU H H 2.898 -0.176 1.282 1.00 . A A . 14 LEU H 1 1 6 2025 1 1 14 LEU HA H 4.582 -2.290 2.018 1.00 . A A . 14 LEU HA 1 1 6 2026 1 1 14 LEU HB2 H 2.410 -2.581 0.919 1.00 . A A . 14 LEU HB2 1 1 6 2027 1 1 14 LEU HB3 H 3.029 -1.818 -0.526 1.00 . A A . 14 LEU HB3 1 1 6 2028 1 1 14 LEU HD11 H 3.098 -4.913 1.502 1.00 . A A . 14 LEU HD11 1 1 6 2029 1 1 14 LEU HD12 H 4.795 -4.431 1.500 1.00 . A A . 14 LEU HD12 1 1 6 2030 1 1 14 LEU HD13 H 4.253 -5.760 0.476 1.00 . A A . 14 LEU HD13 1 1 6 2031 1 1 14 LEU HD21 H 1.695 -4.463 -0.614 1.00 . A A . 14 LEU HD21 1 1 6 2032 1 1 14 LEU HD22 H 2.922 -5.330 -1.536 1.00 . A A . 14 LEU HD22 1 1 6 2033 1 1 14 LEU HD23 H 2.479 -3.685 -1.988 1.00 . A A . 14 LEU HD23 1 1 6 2034 1 1 14 LEU HG H 4.608 -3.710 -0.809 1.00 . A A . 14 LEU HG 1 1 6 2035 1 1 14 LEU N N 3.781 -0.446 1.619 1.00 . A A . 14 LEU N 1 1 6 2036 1 1 14 LEU O O 6.536 -2.211 0.420 1.00 . A A . 14 LEU O 1 1 6 2037 1 1 15 ALA C C 8.054 0.321 -0.509 1.00 . A A . 15 ALA C 1 1 6 2038 1 1 15 ALA CA C 6.784 -0.008 -1.269 1.00 . A A . 15 ALA CA 1 1 6 2039 1 1 15 ALA CB C 6.418 1.118 -2.224 1.00 . A A . 15 ALA CB 1 1 6 2040 1 1 15 ALA H H 4.960 0.362 -0.287 1.00 . A A . 15 ALA H 1 1 6 2041 1 1 15 ALA HA H 6.969 -0.897 -1.854 1.00 . A A . 15 ALA HA 1 1 6 2042 1 1 15 ALA HB1 H 6.269 2.030 -1.664 1.00 . A A . 15 ALA HB1 1 1 6 2043 1 1 15 ALA HB2 H 5.509 0.867 -2.750 1.00 . A A . 15 ALA HB2 1 1 6 2044 1 1 15 ALA HB3 H 7.218 1.260 -2.934 1.00 . A A . 15 ALA HB3 1 1 6 2045 1 1 15 ALA N N 5.671 -0.317 -0.367 1.00 . A A . 15 ALA N 1 1 6 2046 1 1 15 ALA O O 9.137 0.394 -1.089 1.00 . A A . 15 ALA O 1 1 6 2047 1 1 16 LYS C C 9.753 -0.446 1.997 1.00 . A A . 16 LYS C 1 1 6 2048 1 1 16 LYS CA C 9.066 0.855 1.599 1.00 . A A . 16 LYS CA 1 1 6 2049 1 1 16 LYS CB C 8.696 1.711 2.817 1.00 . A A . 16 LYS CB 1 1 6 2050 1 1 16 LYS CD C 7.930 4.008 3.638 1.00 . A A . 16 LYS CD 1 1 6 2051 1 1 16 LYS CE C 6.645 3.554 4.317 1.00 . A A . 16 LYS CE 1 1 6 2052 1 1 16 LYS CG C 8.298 3.133 2.435 1.00 . A A . 16 LYS CG 1 1 6 2053 1 1 16 LYS H H 7.006 0.612 1.140 1.00 . A A . 16 LYS H 1 1 6 2054 1 1 16 LYS HA H 9.761 1.407 0.983 1.00 . A A . 16 LYS HA 1 1 6 2055 1 1 16 LYS HB2 H 7.869 1.244 3.331 1.00 . A A . 16 LYS HB2 1 1 6 2056 1 1 16 LYS HB3 H 9.545 1.761 3.481 1.00 . A A . 16 LYS HB3 1 1 6 2057 1 1 16 LYS HD2 H 8.734 3.967 4.357 1.00 . A A . 16 LYS HD2 1 1 6 2058 1 1 16 LYS HD3 H 7.809 5.026 3.297 1.00 . A A . 16 LYS HD3 1 1 6 2059 1 1 16 LYS HE2 H 5.862 3.550 3.574 1.00 . A A . 16 LYS HE2 1 1 6 2060 1 1 16 LYS HE3 H 6.782 2.559 4.712 1.00 . A A . 16 LYS HE3 1 1 6 2061 1 1 16 LYS HG2 H 9.123 3.595 1.915 1.00 . A A . 16 LYS HG2 1 1 6 2062 1 1 16 LYS HG3 H 7.450 3.074 1.768 1.00 . A A . 16 LYS HG3 1 1 6 2063 1 1 16 LYS HZ1 H 7.003 4.551 6.120 1.00 . A A . 16 LYS HZ1 1 1 6 2064 1 1 16 LYS HZ2 H 5.390 4.127 5.892 1.00 . A A . 16 LYS HZ2 1 1 6 2065 1 1 16 LYS HZ3 H 6.037 5.420 5.044 1.00 . A A . 16 LYS HZ3 1 1 6 2066 1 1 16 LYS N N 7.915 0.590 0.770 1.00 . A A . 16 LYS N 1 1 6 2067 1 1 16 LYS NZ N 6.246 4.467 5.413 1.00 . A A . 16 LYS NZ 1 1 6 2068 1 1 16 LYS O O 10.972 -0.505 2.108 1.00 . A A . 16 LYS O 1 1 6 2069 1 1 17 ILE C C 9.802 -3.599 1.232 1.00 . A A . 17 ILE C 1 1 6 2070 1 1 17 ILE CA C 9.559 -2.792 2.514 1.00 . A A . 17 ILE CA 1 1 6 2071 1 1 17 ILE CB C 8.709 -3.592 3.569 1.00 . A A . 17 ILE CB 1 1 6 2072 1 1 17 ILE CD1 C 8.639 -5.748 4.955 1.00 . A A . 17 ILE CD1 1 1 6 2073 1 1 17 ILE CG1 C 9.352 -4.956 3.877 1.00 . A A . 17 ILE CG1 1 1 6 2074 1 1 17 ILE CG2 C 7.248 -3.753 3.142 1.00 . A A . 17 ILE CG2 1 1 6 2075 1 1 17 ILE H H 8.011 -1.401 2.041 1.00 . A A . 17 ILE H 1 1 6 2076 1 1 17 ILE HA H 10.531 -2.573 2.932 1.00 . A A . 17 ILE HA 1 1 6 2077 1 1 17 ILE HB H 8.708 -3.006 4.476 1.00 . A A . 17 ILE HB 1 1 6 2078 1 1 17 ILE HD11 H 9.155 -6.684 5.113 1.00 . A A . 17 ILE HD11 1 1 6 2079 1 1 17 ILE HD12 H 7.623 -5.943 4.646 1.00 . A A . 17 ILE HD12 1 1 6 2080 1 1 17 ILE HD13 H 8.635 -5.181 5.875 1.00 . A A . 17 ILE HD13 1 1 6 2081 1 1 17 ILE HG12 H 9.352 -5.552 2.977 1.00 . A A . 17 ILE HG12 1 1 6 2082 1 1 17 ILE HG13 H 10.373 -4.804 4.194 1.00 . A A . 17 ILE HG13 1 1 6 2083 1 1 17 ILE HG21 H 6.796 -2.780 3.023 1.00 . A A . 17 ILE HG21 1 1 6 2084 1 1 17 ILE HG22 H 6.712 -4.313 3.896 1.00 . A A . 17 ILE HG22 1 1 6 2085 1 1 17 ILE HG23 H 7.208 -4.288 2.204 1.00 . A A . 17 ILE HG23 1 1 6 2086 1 1 17 ILE N N 8.978 -1.497 2.178 1.00 . A A . 17 ILE N 1 1 6 2087 1 1 17 ILE O O 10.903 -4.107 0.992 1.00 . A A . 17 ILE O 1 1 6 2088 1 1 18 PHE C C 9.240 -3.234 -1.902 1.00 . A A . 18 PHE C 1 1 6 2089 1 1 18 PHE CA C 8.809 -4.280 -0.878 1.00 . A A . 18 PHE CA 1 1 6 2090 1 1 18 PHE CB C 7.384 -4.838 -1.150 1.00 . A A . 18 PHE CB 1 1 6 2091 1 1 18 PHE CD1 C 6.396 -4.863 -3.458 1.00 . A A . 18 PHE CD1 1 1 6 2092 1 1 18 PHE CD2 C 7.609 -6.776 -2.732 1.00 . A A . 18 PHE CD2 1 1 6 2093 1 1 18 PHE CE1 C 6.139 -5.473 -4.666 1.00 . A A . 18 PHE CE1 1 1 6 2094 1 1 18 PHE CE2 C 7.356 -7.389 -3.942 1.00 . A A . 18 PHE CE2 1 1 6 2095 1 1 18 PHE CG C 7.136 -5.508 -2.476 1.00 . A A . 18 PHE CG 1 1 6 2096 1 1 18 PHE CZ C 6.620 -6.737 -4.908 1.00 . A A . 18 PHE CZ 1 1 6 2097 1 1 18 PHE H H 7.964 -3.156 0.619 1.00 . A A . 18 PHE H 1 1 6 2098 1 1 18 PHE HA H 9.524 -5.088 -0.852 1.00 . A A . 18 PHE HA 1 1 6 2099 1 1 18 PHE HB2 H 7.149 -5.566 -0.388 1.00 . A A . 18 PHE HB2 1 1 6 2100 1 1 18 PHE HB3 H 6.689 -4.016 -1.055 1.00 . A A . 18 PHE HB3 1 1 6 2101 1 1 18 PHE HD1 H 6.021 -3.867 -3.269 1.00 . A A . 18 PHE HD1 1 1 6 2102 1 1 18 PHE HD2 H 8.185 -7.290 -1.976 1.00 . A A . 18 PHE HD2 1 1 6 2103 1 1 18 PHE HE1 H 5.562 -4.959 -5.421 1.00 . A A . 18 PHE HE1 1 1 6 2104 1 1 18 PHE HE2 H 7.731 -8.382 -4.135 1.00 . A A . 18 PHE HE2 1 1 6 2105 1 1 18 PHE HZ H 6.425 -7.225 -5.853 1.00 . A A . 18 PHE HZ 1 1 6 2106 1 1 18 PHE N N 8.797 -3.629 0.398 1.00 . A A . 18 PHE N 1 1 6 2107 1 1 18 PHE O O 8.418 -2.584 -2.553 1.00 . A A . 18 PHE O 1 1 6 2108 1 1 19 LYS C C 11.166 -2.430 -4.182 1.00 . A A . 19 LYS C 1 1 6 2109 1 1 19 LYS CA C 11.145 -1.995 -2.731 1.00 . A A . 19 LYS CA 1 1 6 2110 1 1 19 LYS CB C 12.534 -1.804 -2.230 1.00 . A A . 19 LYS CB 1 1 6 2111 1 1 19 LYS CD C 13.997 -1.593 -0.287 1.00 . A A . 19 LYS CD 1 1 6 2112 1 1 19 LYS CE C 14.237 -1.057 1.101 1.00 . A A . 19 LYS CE 1 1 6 2113 1 1 19 LYS CG C 12.602 -1.406 -0.772 1.00 . A A . 19 LYS CG 1 1 6 2114 1 1 19 LYS H H 11.159 -3.452 -1.310 1.00 . A A . 19 LYS H 1 1 6 2115 1 1 19 LYS HA H 10.614 -1.061 -2.625 1.00 . A A . 19 LYS HA 1 1 6 2116 1 1 19 LYS HB2 H 13.082 -2.726 -2.362 1.00 . A A . 19 LYS HB2 1 1 6 2117 1 1 19 LYS HB3 H 13.003 -1.028 -2.815 1.00 . A A . 19 LYS HB3 1 1 6 2118 1 1 19 LYS HD2 H 14.204 -2.652 -0.285 1.00 . A A . 19 LYS HD2 1 1 6 2119 1 1 19 LYS HD3 H 14.632 -1.110 -1.005 1.00 . A A . 19 LYS HD3 1 1 6 2120 1 1 19 LYS HE2 H 15.271 -1.265 1.320 1.00 . A A . 19 LYS HE2 1 1 6 2121 1 1 19 LYS HE3 H 14.062 0.008 1.115 1.00 . A A . 19 LYS HE3 1 1 6 2122 1 1 19 LYS HG2 H 12.320 -0.368 -0.667 1.00 . A A . 19 LYS HG2 1 1 6 2123 1 1 19 LYS HG3 H 11.936 -2.030 -0.194 1.00 . A A . 19 LYS HG3 1 1 6 2124 1 1 19 LYS HZ1 H 13.524 -2.757 2.094 1.00 . A A . 19 LYS HZ1 1 1 6 2125 1 1 19 LYS HZ2 H 12.413 -1.455 2.063 1.00 . A A . 19 LYS HZ2 1 1 6 2126 1 1 19 LYS HZ3 H 13.745 -1.416 3.070 1.00 . A A . 19 LYS HZ3 1 1 6 2127 1 1 19 LYS N N 10.534 -2.982 -1.907 1.00 . A A . 19 LYS N 1 1 6 2128 1 1 19 LYS NZ N 13.416 -1.723 2.132 1.00 . A A . 19 LYS NZ 1 1 6 2129 1 1 19 LYS O O 10.399 -1.881 -4.987 1.00 . A A . 19 LYS O 1 1 6 2130 1 1 19 LYS OXT O 11.939 -3.356 -4.533 1.00 . A A . 19 LYS OXT 1 1 7 2131 1 1 1 PRO C C -12.671 12.460 -1.958 1.00 . A A . 1 PRO C 1 1 7 2132 1 1 1 PRO CA C -12.064 13.820 -1.684 1.00 . A A . 1 PRO CA 1 1 7 2133 1 1 1 PRO CB C -10.675 13.656 -1.074 1.00 . A A . 1 PRO CB 1 1 7 2134 1 1 1 PRO CD C -12.013 15.096 0.328 1.00 . A A . 1 PRO CD 1 1 7 2135 1 1 1 PRO CG C -10.826 14.149 0.332 1.00 . A A . 1 PRO CG 1 1 7 2136 1 1 1 PRO H2 H -13.855 14.490 -1.168 1.00 . A A . 1 PRO H2 1 1 7 2137 1 1 1 PRO H3 H -12.754 15.564 -0.741 1.00 . A A . 1 PRO H3 1 1 7 2138 1 1 1 PRO HA H -11.984 14.378 -2.604 1.00 . A A . 1 PRO HA 1 1 7 2139 1 1 1 PRO HB2 H -10.388 12.615 -1.108 1.00 . A A . 1 PRO HB2 1 1 7 2140 1 1 1 PRO HB3 H -9.962 14.251 -1.625 1.00 . A A . 1 PRO HB3 1 1 7 2141 1 1 1 PRO HD2 H -12.470 15.108 1.309 1.00 . A A . 1 PRO HD2 1 1 7 2142 1 1 1 PRO HD3 H -11.631 16.084 0.105 1.00 . A A . 1 PRO HD3 1 1 7 2143 1 1 1 PRO HG2 H -11.006 13.314 0.993 1.00 . A A . 1 PRO HG2 1 1 7 2144 1 1 1 PRO HG3 H -9.931 14.671 0.635 1.00 . A A . 1 PRO HG3 1 1 7 2145 1 1 1 PRO N N -12.901 14.539 -0.757 1.00 . A A . 1 PRO N 1 1 7 2146 1 1 1 PRO O O -13.714 12.121 -1.404 1.00 . A A . 1 PRO O 1 1 7 2147 1 1 2 MET C C -11.605 9.365 -2.472 1.00 . A A . 2 MET C 1 1 7 2148 1 1 2 MET CA C -12.497 10.370 -3.162 1.00 . A A . 2 MET CA 1 1 7 2149 1 1 2 MET CB C -12.463 10.140 -4.678 1.00 . A A . 2 MET CB 1 1 7 2150 1 1 2 MET CE C -11.589 11.185 -7.607 1.00 . A A . 2 MET CE 1 1 7 2151 1 1 2 MET CG C -13.382 11.059 -5.467 1.00 . A A . 2 MET CG 1 1 7 2152 1 1 2 MET H H -11.253 12.056 -3.292 1.00 . A A . 2 MET H 1 1 7 2153 1 1 2 MET HA H -13.511 10.255 -2.807 1.00 . A A . 2 MET HA 1 1 7 2154 1 1 2 MET HB2 H -11.453 10.296 -5.022 1.00 . A A . 2 MET HB2 1 1 7 2155 1 1 2 MET HB3 H -12.747 9.119 -4.880 1.00 . A A . 2 MET HB3 1 1 7 2156 1 1 2 MET HE1 H -11.407 11.079 -8.667 1.00 . A A . 2 MET HE1 1 1 7 2157 1 1 2 MET HE2 H -10.939 10.512 -7.067 1.00 . A A . 2 MET HE2 1 1 7 2158 1 1 2 MET HE3 H -11.388 12.202 -7.305 1.00 . A A . 2 MET HE3 1 1 7 2159 1 1 2 MET HG2 H -14.396 10.903 -5.131 1.00 . A A . 2 MET HG2 1 1 7 2160 1 1 2 MET HG3 H -13.097 12.081 -5.263 1.00 . A A . 2 MET HG3 1 1 7 2161 1 1 2 MET N N -12.048 11.706 -2.836 1.00 . A A . 2 MET N 1 1 7 2162 1 1 2 MET O O -10.430 9.216 -2.853 1.00 . A A . 2 MET O 1 1 7 2163 1 1 2 MET SD S -13.308 10.775 -7.256 1.00 . A A . 2 MET SD 1 1 7 2164 1 1 3 ALA C C -10.356 8.351 0.227 1.00 . A A . 3 ALA C 1 1 7 2165 1 1 3 ALA CA C -11.466 7.718 -0.613 1.00 . A A . 3 ALA CA 1 1 7 2166 1 1 3 ALA CB C -10.943 6.534 -1.433 1.00 . A A . 3 ALA CB 1 1 7 2167 1 1 3 ALA H H -13.085 8.927 -1.219 1.00 . A A . 3 ALA H 1 1 7 2168 1 1 3 ALA HA H -12.211 7.350 0.078 1.00 . A A . 3 ALA HA 1 1 7 2169 1 1 3 ALA HB1 H -10.549 5.781 -0.766 1.00 . A A . 3 ALA HB1 1 1 7 2170 1 1 3 ALA HB2 H -10.158 6.875 -2.091 1.00 . A A . 3 ALA HB2 1 1 7 2171 1 1 3 ALA HB3 H -11.749 6.114 -2.017 1.00 . A A . 3 ALA HB3 1 1 7 2172 1 1 3 ALA N N -12.153 8.715 -1.446 1.00 . A A . 3 ALA N 1 1 7 2173 1 1 3 ALA O O -9.362 8.874 -0.306 1.00 . A A . 3 ALA O 1 1 7 2174 1 1 4 ARG C C -8.339 7.995 2.482 1.00 . A A . 4 ARG C 1 1 7 2175 1 1 4 ARG CA C -9.548 8.883 2.437 1.00 . A A . 4 ARG CA 1 1 7 2176 1 1 4 ARG CB C -10.124 9.086 3.839 1.00 . A A . 4 ARG CB 1 1 7 2177 1 1 4 ARG CD C -11.692 10.341 5.340 1.00 . A A . 4 ARG CD 1 1 7 2178 1 1 4 ARG CG C -11.190 10.165 3.920 1.00 . A A . 4 ARG CG 1 1 7 2179 1 1 4 ARG CZ C -10.766 10.913 7.588 1.00 . A A . 4 ARG CZ 1 1 7 2180 1 1 4 ARG H H -11.348 7.922 1.895 1.00 . A A . 4 ARG H 1 1 7 2181 1 1 4 ARG HA H -9.238 9.835 2.042 1.00 . A A . 4 ARG HA 1 1 7 2182 1 1 4 ARG HB2 H -10.565 8.155 4.165 1.00 . A A . 4 ARG HB2 1 1 7 2183 1 1 4 ARG HB3 H -9.323 9.344 4.514 1.00 . A A . 4 ARG HB3 1 1 7 2184 1 1 4 ARG HD2 H -12.450 11.109 5.352 1.00 . A A . 4 ARG HD2 1 1 7 2185 1 1 4 ARG HD3 H -12.123 9.405 5.670 1.00 . A A . 4 ARG HD3 1 1 7 2186 1 1 4 ARG HE H -9.725 10.808 5.849 1.00 . A A . 4 ARG HE 1 1 7 2187 1 1 4 ARG HG2 H -10.765 11.097 3.580 1.00 . A A . 4 ARG HG2 1 1 7 2188 1 1 4 ARG HG3 H -12.018 9.893 3.282 1.00 . A A . 4 ARG HG3 1 1 7 2189 1 1 4 ARG HH11 H -12.791 10.608 7.597 1.00 . A A . 4 ARG HH11 1 1 7 2190 1 1 4 ARG HH12 H -12.135 10.970 9.124 1.00 . A A . 4 ARG HH12 1 1 7 2191 1 1 4 ARG HH21 H -8.779 11.253 7.966 1.00 . A A . 4 ARG HH21 1 1 7 2192 1 1 4 ARG HH22 H -9.772 11.326 9.339 1.00 . A A . 4 ARG HH22 1 1 7 2193 1 1 4 ARG N N -10.533 8.331 1.529 1.00 . A A . 4 ARG N 1 1 7 2194 1 1 4 ARG NE N -10.611 10.717 6.270 1.00 . A A . 4 ARG NE 1 1 7 2195 1 1 4 ARG NH1 N -11.977 10.824 8.143 1.00 . A A . 4 ARG NH1 1 1 7 2196 1 1 4 ARG NH2 N -9.707 11.187 8.346 1.00 . A A . 4 ARG NH2 1 1 7 2197 1 1 4 ARG O O -7.231 8.397 2.091 1.00 . A A . 4 ARG O 1 1 7 2198 1 1 5 ASN C C -7.503 5.041 1.679 1.00 . A A . 5 ASN C 1 1 7 2199 1 1 5 ASN CA C -7.491 5.835 2.959 1.00 . A A . 5 ASN CA 1 1 7 2200 1 1 5 ASN CB C -7.604 4.938 4.199 1.00 . A A . 5 ASN CB 1 1 7 2201 1 1 5 ASN CG C -6.424 3.986 4.364 1.00 . A A . 5 ASN CG 1 1 7 2202 1 1 5 ASN H H -9.464 6.539 3.142 1.00 . A A . 5 ASN H 1 1 7 2203 1 1 5 ASN HA H -6.564 6.390 2.997 1.00 . A A . 5 ASN HA 1 1 7 2204 1 1 5 ASN HB2 H -7.660 5.562 5.079 1.00 . A A . 5 ASN HB2 1 1 7 2205 1 1 5 ASN HB3 H -8.507 4.352 4.125 1.00 . A A . 5 ASN HB3 1 1 7 2206 1 1 5 ASN HD21 H -5.405 5.390 5.296 1.00 . A A . 5 ASN HD21 1 1 7 2207 1 1 5 ASN HD22 H -4.598 3.875 5.130 1.00 . A A . 5 ASN HD22 1 1 7 2208 1 1 5 ASN N N -8.549 6.794 2.896 1.00 . A A . 5 ASN N 1 1 7 2209 1 1 5 ASN ND2 N -5.372 4.457 4.984 1.00 . A A . 5 ASN ND2 1 1 7 2210 1 1 5 ASN O O -8.212 4.037 1.534 1.00 . A A . 5 ASN O 1 1 7 2211 1 1 5 ASN OD1 O -6.456 2.838 3.918 1.00 . A A . 5 ASN OD1 1 1 7 2212 1 1 6 LYS C C -5.871 3.731 -0.568 1.00 . A A . 6 LYS C 1 1 7 2213 1 1 6 LYS CA C -6.722 4.985 -0.598 1.00 . A A . 6 LYS CA 1 1 7 2214 1 1 6 LYS CB C -6.101 5.990 -1.562 1.00 . A A . 6 LYS CB 1 1 7 2215 1 1 6 LYS CD C -6.195 8.208 -2.680 1.00 . A A . 6 LYS CD 1 1 7 2216 1 1 6 LYS CE C -7.053 9.404 -3.048 1.00 . A A . 6 LYS CE 1 1 7 2217 1 1 6 LYS CG C -6.936 7.227 -1.798 1.00 . A A . 6 LYS CG 1 1 7 2218 1 1 6 LYS H H -6.334 6.404 0.906 1.00 . A A . 6 LYS H 1 1 7 2219 1 1 6 LYS HA H -7.717 4.749 -0.942 1.00 . A A . 6 LYS HA 1 1 7 2220 1 1 6 LYS HB2 H -5.146 6.301 -1.168 1.00 . A A . 6 LYS HB2 1 1 7 2221 1 1 6 LYS HB3 H -5.940 5.501 -2.511 1.00 . A A . 6 LYS HB3 1 1 7 2222 1 1 6 LYS HD2 H -5.320 8.559 -2.151 1.00 . A A . 6 LYS HD2 1 1 7 2223 1 1 6 LYS HD3 H -5.888 7.698 -3.579 1.00 . A A . 6 LYS HD3 1 1 7 2224 1 1 6 LYS HE2 H -6.469 10.066 -3.666 1.00 . A A . 6 LYS HE2 1 1 7 2225 1 1 6 LYS HE3 H -7.909 9.051 -3.604 1.00 . A A . 6 LYS HE3 1 1 7 2226 1 1 6 LYS HG2 H -7.859 6.944 -2.283 1.00 . A A . 6 LYS HG2 1 1 7 2227 1 1 6 LYS HG3 H -7.152 7.696 -0.850 1.00 . A A . 6 LYS HG3 1 1 7 2228 1 1 6 LYS HZ1 H -8.176 9.582 -1.289 1.00 . A A . 6 LYS HZ1 1 1 7 2229 1 1 6 LYS HZ2 H -8.009 11.021 -2.159 1.00 . A A . 6 LYS HZ2 1 1 7 2230 1 1 6 LYS HZ3 H -6.715 10.427 -1.274 1.00 . A A . 6 LYS HZ3 1 1 7 2231 1 1 6 LYS N N -6.810 5.569 0.714 1.00 . A A . 6 LYS N 1 1 7 2232 1 1 6 LYS NZ N -7.521 10.151 -1.868 1.00 . A A . 6 LYS NZ 1 1 7 2233 1 1 6 LYS O O -4.956 3.626 0.252 1.00 . A A . 6 LYS O 1 1 7 2234 1 1 7 PRO C C -3.863 1.888 -1.899 1.00 . A A . 7 PRO C 1 1 7 2235 1 1 7 PRO CA C -5.319 1.546 -1.588 1.00 . A A . 7 PRO CA 1 1 7 2236 1 1 7 PRO CB C -5.958 0.781 -2.759 1.00 . A A . 7 PRO CB 1 1 7 2237 1 1 7 PRO CD C -7.258 2.757 -2.433 1.00 . A A . 7 PRO CD 1 1 7 2238 1 1 7 PRO CG C -6.797 1.786 -3.476 1.00 . A A . 7 PRO CG 1 1 7 2239 1 1 7 PRO HA H -5.357 0.960 -0.684 1.00 . A A . 7 PRO HA 1 1 7 2240 1 1 7 PRO HB2 H -5.182 0.384 -3.396 1.00 . A A . 7 PRO HB2 1 1 7 2241 1 1 7 PRO HB3 H -6.560 -0.026 -2.369 1.00 . A A . 7 PRO HB3 1 1 7 2242 1 1 7 PRO HD2 H -7.409 3.734 -2.867 1.00 . A A . 7 PRO HD2 1 1 7 2243 1 1 7 PRO HD3 H -8.162 2.406 -1.959 1.00 . A A . 7 PRO HD3 1 1 7 2244 1 1 7 PRO HG2 H -6.205 2.293 -4.224 1.00 . A A . 7 PRO HG2 1 1 7 2245 1 1 7 PRO HG3 H -7.645 1.299 -3.935 1.00 . A A . 7 PRO HG3 1 1 7 2246 1 1 7 PRO N N -6.133 2.768 -1.473 1.00 . A A . 7 PRO N 1 1 7 2247 1 1 7 PRO O O -2.935 1.133 -1.575 1.00 . A A . 7 PRO O 1 1 7 2248 1 1 8 LYS C C -1.543 3.789 -1.531 1.00 . A A . 8 LYS C 1 1 7 2249 1 1 8 LYS CA C -2.368 3.583 -2.803 1.00 . A A . 8 LYS CA 1 1 7 2250 1 1 8 LYS CB C -2.509 4.899 -3.562 1.00 . A A . 8 LYS CB 1 1 7 2251 1 1 8 LYS CD C -1.467 6.741 -4.883 1.00 . A A . 8 LYS CD 1 1 7 2252 1 1 8 LYS CE C -0.197 7.304 -5.493 1.00 . A A . 8 LYS CE 1 1 7 2253 1 1 8 LYS CG C -1.206 5.471 -4.102 1.00 . A A . 8 LYS CG 1 1 7 2254 1 1 8 LYS H H -4.473 3.584 -2.702 1.00 . A A . 8 LYS H 1 1 7 2255 1 1 8 LYS HA H -1.869 2.866 -3.439 1.00 . A A . 8 LYS HA 1 1 7 2256 1 1 8 LYS HB2 H -3.174 4.742 -4.396 1.00 . A A . 8 LYS HB2 1 1 7 2257 1 1 8 LYS HB3 H -2.952 5.630 -2.902 1.00 . A A . 8 LYS HB3 1 1 7 2258 1 1 8 LYS HD2 H -2.169 6.528 -5.677 1.00 . A A . 8 LYS HD2 1 1 7 2259 1 1 8 LYS HD3 H -1.894 7.476 -4.217 1.00 . A A . 8 LYS HD3 1 1 7 2260 1 1 8 LYS HE2 H 0.503 7.517 -4.701 1.00 . A A . 8 LYS HE2 1 1 7 2261 1 1 8 LYS HE3 H 0.228 6.566 -6.157 1.00 . A A . 8 LYS HE3 1 1 7 2262 1 1 8 LYS HG2 H -0.550 5.694 -3.274 1.00 . A A . 8 LYS HG2 1 1 7 2263 1 1 8 LYS HG3 H -0.742 4.742 -4.749 1.00 . A A . 8 LYS HG3 1 1 7 2264 1 1 8 LYS HZ1 H -1.121 8.338 -7.035 1.00 . A A . 8 LYS HZ1 1 1 7 2265 1 1 8 LYS HZ2 H 0.410 8.937 -6.652 1.00 . A A . 8 LYS HZ2 1 1 7 2266 1 1 8 LYS HZ3 H -0.911 9.255 -5.647 1.00 . A A . 8 LYS HZ3 1 1 7 2267 1 1 8 LYS N N -3.672 3.064 -2.479 1.00 . A A . 8 LYS N 1 1 7 2268 1 1 8 LYS NZ N -0.465 8.539 -6.255 1.00 . A A . 8 LYS NZ 1 1 7 2269 1 1 8 LYS O O -0.348 3.648 -1.559 1.00 . A A . 8 LYS O 1 1 7 2270 1 1 9 ILE C C -0.862 2.992 1.329 1.00 . A A . 9 ILE C 1 1 7 2271 1 1 9 ILE CA C -1.515 4.300 0.865 1.00 . A A . 9 ILE CA 1 1 7 2272 1 1 9 ILE CB C -2.496 4.830 1.961 1.00 . A A . 9 ILE CB 1 1 7 2273 1 1 9 ILE CD1 C -2.181 7.299 1.253 1.00 . A A . 9 ILE CD1 1 1 7 2274 1 1 9 ILE CG1 C -3.156 6.162 1.524 1.00 . A A . 9 ILE CG1 1 1 7 2275 1 1 9 ILE CG2 C -1.799 4.994 3.312 1.00 . A A . 9 ILE CG2 1 1 7 2276 1 1 9 ILE H H -3.188 4.117 -0.419 1.00 . A A . 9 ILE H 1 1 7 2277 1 1 9 ILE HA H -0.736 5.029 0.697 1.00 . A A . 9 ILE HA 1 1 7 2278 1 1 9 ILE HB H -3.273 4.090 2.086 1.00 . A A . 9 ILE HB 1 1 7 2279 1 1 9 ILE HD11 H -1.603 7.497 2.143 1.00 . A A . 9 ILE HD11 1 1 7 2280 1 1 9 ILE HD12 H -2.735 8.186 0.982 1.00 . A A . 9 ILE HD12 1 1 7 2281 1 1 9 ILE HD13 H -1.520 7.029 0.443 1.00 . A A . 9 ILE HD13 1 1 7 2282 1 1 9 ILE HG12 H -3.715 5.992 0.616 1.00 . A A . 9 ILE HG12 1 1 7 2283 1 1 9 ILE HG13 H -3.838 6.483 2.298 1.00 . A A . 9 ILE HG13 1 1 7 2284 1 1 9 ILE HG21 H -2.509 5.352 4.042 1.00 . A A . 9 ILE HG21 1 1 7 2285 1 1 9 ILE HG22 H -0.994 5.708 3.215 1.00 . A A . 9 ILE HG22 1 1 7 2286 1 1 9 ILE HG23 H -1.400 4.042 3.630 1.00 . A A . 9 ILE HG23 1 1 7 2287 1 1 9 ILE N N -2.206 4.075 -0.410 1.00 . A A . 9 ILE N 1 1 7 2288 1 1 9 ILE O O 0.322 2.965 1.742 1.00 . A A . 9 ILE O 1 1 7 2289 1 1 10 LEU C C -0.079 0.114 0.578 1.00 . A A . 10 LEU C 1 1 7 2290 1 1 10 LEU CA C -1.123 0.589 1.563 1.00 . A A . 10 LEU CA 1 1 7 2291 1 1 10 LEU CB C -2.263 -0.447 1.682 1.00 . A A . 10 LEU CB 1 1 7 2292 1 1 10 LEU CD1 C -2.375 -0.456 4.199 1.00 . A A . 10 LEU CD1 1 1 7 2293 1 1 10 LEU CD2 C -4.029 0.905 2.906 1.00 . A A . 10 LEU CD2 1 1 7 2294 1 1 10 LEU CG C -3.181 -0.357 2.917 1.00 . A A . 10 LEU CG 1 1 7 2295 1 1 10 LEU H H -2.520 2.001 0.844 1.00 . A A . 10 LEU H 1 1 7 2296 1 1 10 LEU HA H -0.645 0.691 2.524 1.00 . A A . 10 LEU HA 1 1 7 2297 1 1 10 LEU HB2 H -2.886 -0.352 0.805 1.00 . A A . 10 LEU HB2 1 1 7 2298 1 1 10 LEU HB3 H -1.815 -1.430 1.670 1.00 . A A . 10 LEU HB3 1 1 7 2299 1 1 10 LEU HD11 H -1.695 0.380 4.271 1.00 . A A . 10 LEU HD11 1 1 7 2300 1 1 10 LEU HD12 H -1.812 -1.377 4.198 1.00 . A A . 10 LEU HD12 1 1 7 2301 1 1 10 LEU HD13 H -3.047 -0.448 5.043 1.00 . A A . 10 LEU HD13 1 1 7 2302 1 1 10 LEU HD21 H -4.667 0.918 3.778 1.00 . A A . 10 LEU HD21 1 1 7 2303 1 1 10 LEU HD22 H -4.635 0.926 2.012 1.00 . A A . 10 LEU HD22 1 1 7 2304 1 1 10 LEU HD23 H -3.381 1.769 2.922 1.00 . A A . 10 LEU HD23 1 1 7 2305 1 1 10 LEU HG H -3.842 -1.212 2.901 1.00 . A A . 10 LEU HG 1 1 7 2306 1 1 10 LEU N N -1.610 1.909 1.196 1.00 . A A . 10 LEU N 1 1 7 2307 1 1 10 LEU O O 0.841 -0.617 0.941 1.00 . A A . 10 LEU O 1 1 7 2308 1 1 11 LYS C C 2.043 0.949 -1.433 1.00 . A A . 11 LYS C 1 1 7 2309 1 1 11 LYS CA C 0.730 0.214 -1.713 1.00 . A A . 11 LYS CA 1 1 7 2310 1 1 11 LYS CB C 0.163 0.623 -3.078 1.00 . A A . 11 LYS CB 1 1 7 2311 1 1 11 LYS CD C 0.407 0.683 -5.568 1.00 . A A . 11 LYS CD 1 1 7 2312 1 1 11 LYS CE C 1.245 0.240 -6.756 1.00 . A A . 11 LYS CE 1 1 7 2313 1 1 11 LYS CG C 1.023 0.225 -4.258 1.00 . A A . 11 LYS CG 1 1 7 2314 1 1 11 LYS H H -1.028 1.053 -0.898 1.00 . A A . 11 LYS H 1 1 7 2315 1 1 11 LYS HA H 0.906 -0.851 -1.700 1.00 . A A . 11 LYS HA 1 1 7 2316 1 1 11 LYS HB2 H -0.809 0.172 -3.203 1.00 . A A . 11 LYS HB2 1 1 7 2317 1 1 11 LYS HB3 H 0.051 1.697 -3.090 1.00 . A A . 11 LYS HB3 1 1 7 2318 1 1 11 LYS HD2 H -0.582 0.261 -5.658 1.00 . A A . 11 LYS HD2 1 1 7 2319 1 1 11 LYS HD3 H 0.340 1.761 -5.566 1.00 . A A . 11 LYS HD3 1 1 7 2320 1 1 11 LYS HE2 H 1.297 -0.838 -6.757 1.00 . A A . 11 LYS HE2 1 1 7 2321 1 1 11 LYS HE3 H 0.767 0.576 -7.664 1.00 . A A . 11 LYS HE3 1 1 7 2322 1 1 11 LYS HG2 H 1.997 0.677 -4.151 1.00 . A A . 11 LYS HG2 1 1 7 2323 1 1 11 LYS HG3 H 1.123 -0.851 -4.272 1.00 . A A . 11 LYS HG3 1 1 7 2324 1 1 11 LYS HZ1 H 3.109 0.457 -5.842 1.00 . A A . 11 LYS HZ1 1 1 7 2325 1 1 11 LYS HZ2 H 2.618 1.821 -6.700 1.00 . A A . 11 LYS HZ2 1 1 7 2326 1 1 11 LYS HZ3 H 3.172 0.459 -7.524 1.00 . A A . 11 LYS HZ3 1 1 7 2327 1 1 11 LYS N N -0.226 0.534 -0.668 1.00 . A A . 11 LYS N 1 1 7 2328 1 1 11 LYS NZ N 2.621 0.780 -6.703 1.00 . A A . 11 LYS NZ 1 1 7 2329 1 1 11 LYS O O 3.121 0.383 -1.539 1.00 . A A . 11 LYS O 1 1 7 2330 1 1 12 ARG C C 3.873 2.437 0.418 1.00 . A A . 12 ARG C 1 1 7 2331 1 1 12 ARG CA C 3.043 3.050 -0.678 1.00 . A A . 12 ARG CA 1 1 7 2332 1 1 12 ARG CB C 2.558 4.429 -0.273 1.00 . A A . 12 ARG CB 1 1 7 2333 1 1 12 ARG CD C 1.438 6.535 -1.018 1.00 . A A . 12 ARG CD 1 1 7 2334 1 1 12 ARG CG C 2.218 5.313 -1.451 1.00 . A A . 12 ARG CG 1 1 7 2335 1 1 12 ARG CZ C 1.911 8.518 0.401 1.00 . A A . 12 ARG CZ 1 1 7 2336 1 1 12 ARG H H 1.012 2.590 -1.023 1.00 . A A . 12 ARG H 1 1 7 2337 1 1 12 ARG HA H 3.670 3.164 -1.550 1.00 . A A . 12 ARG HA 1 1 7 2338 1 1 12 ARG HB2 H 1.675 4.319 0.338 1.00 . A A . 12 ARG HB2 1 1 7 2339 1 1 12 ARG HB3 H 3.330 4.914 0.306 1.00 . A A . 12 ARG HB3 1 1 7 2340 1 1 12 ARG HD2 H 1.386 7.223 -1.846 1.00 . A A . 12 ARG HD2 1 1 7 2341 1 1 12 ARG HD3 H 0.438 6.226 -0.755 1.00 . A A . 12 ARG HD3 1 1 7 2342 1 1 12 ARG HE H 2.499 6.611 0.760 1.00 . A A . 12 ARG HE 1 1 7 2343 1 1 12 ARG HG2 H 3.135 5.624 -1.926 1.00 . A A . 12 ARG HG2 1 1 7 2344 1 1 12 ARG HG3 H 1.626 4.744 -2.152 1.00 . A A . 12 ARG HG3 1 1 7 2345 1 1 12 ARG HH11 H 1.237 9.071 -1.467 1.00 . A A . 12 ARG HH11 1 1 7 2346 1 1 12 ARG HH12 H 1.373 10.343 -0.356 1.00 . A A . 12 ARG HH12 1 1 7 2347 1 1 12 ARG HH21 H 2.655 8.364 2.280 1.00 . A A . 12 ARG HH21 1 1 7 2348 1 1 12 ARG HH22 H 2.202 9.951 1.841 1.00 . A A . 12 ARG HH22 1 1 7 2349 1 1 12 ARG N N 1.918 2.206 -1.046 1.00 . A A . 12 ARG N 1 1 7 2350 1 1 12 ARG NE N 2.043 7.215 0.130 1.00 . A A . 12 ARG NE 1 1 7 2351 1 1 12 ARG NH1 N 1.475 9.361 -0.535 1.00 . A A . 12 ARG NH1 1 1 7 2352 1 1 12 ARG NH2 N 2.278 8.984 1.586 1.00 . A A . 12 ARG NH2 1 1 7 2353 1 1 12 ARG O O 5.056 2.152 0.208 1.00 . A A . 12 ARG O 1 1 7 2354 1 1 13 ILE C C 4.570 0.205 2.314 1.00 . A A . 13 ILE C 1 1 7 2355 1 1 13 ILE CA C 3.999 1.590 2.694 1.00 . A A . 13 ILE CA 1 1 7 2356 1 1 13 ILE CB C 3.150 1.523 4.014 1.00 . A A . 13 ILE CB 1 1 7 2357 1 1 13 ILE CD1 C 5.167 1.912 5.544 1.00 . A A . 13 ILE CD1 1 1 7 2358 1 1 13 ILE CG1 C 3.989 1.019 5.202 1.00 . A A . 13 ILE CG1 1 1 7 2359 1 1 13 ILE CG2 C 1.908 0.669 3.844 1.00 . A A . 13 ILE CG2 1 1 7 2360 1 1 13 ILE H H 2.298 2.377 1.656 1.00 . A A . 13 ILE H 1 1 7 2361 1 1 13 ILE HA H 4.844 2.245 2.851 1.00 . A A . 13 ILE HA 1 1 7 2362 1 1 13 ILE HB H 2.819 2.527 4.233 1.00 . A A . 13 ILE HB 1 1 7 2363 1 1 13 ILE HD11 H 5.842 1.962 4.702 1.00 . A A . 13 ILE HD11 1 1 7 2364 1 1 13 ILE HD12 H 5.688 1.509 6.399 1.00 . A A . 13 ILE HD12 1 1 7 2365 1 1 13 ILE HD13 H 4.808 2.904 5.775 1.00 . A A . 13 ILE HD13 1 1 7 2366 1 1 13 ILE HG12 H 3.360 0.953 6.078 1.00 . A A . 13 ILE HG12 1 1 7 2367 1 1 13 ILE HG13 H 4.371 0.036 4.969 1.00 . A A . 13 ILE HG13 1 1 7 2368 1 1 13 ILE HG21 H 1.358 0.633 4.773 1.00 . A A . 13 ILE HG21 1 1 7 2369 1 1 13 ILE HG22 H 2.201 -0.329 3.555 1.00 . A A . 13 ILE HG22 1 1 7 2370 1 1 13 ILE HG23 H 1.290 1.100 3.071 1.00 . A A . 13 ILE HG23 1 1 7 2371 1 1 13 ILE N N 3.257 2.171 1.568 1.00 . A A . 13 ILE N 1 1 7 2372 1 1 13 ILE O O 5.654 -0.184 2.759 1.00 . A A . 13 ILE O 1 1 7 2373 1 1 14 LEU C C 5.558 -1.583 0.049 1.00 . A A . 14 LEU C 1 1 7 2374 1 1 14 LEU CA C 4.328 -1.764 0.932 1.00 . A A . 14 LEU CA 1 1 7 2375 1 1 14 LEU CB C 3.224 -2.473 0.148 1.00 . A A . 14 LEU CB 1 1 7 2376 1 1 14 LEU CD1 C 3.754 -4.831 0.821 1.00 . A A . 14 LEU CD1 1 1 7 2377 1 1 14 LEU CD2 C 2.461 -4.381 -1.275 1.00 . A A . 14 LEU CD2 1 1 7 2378 1 1 14 LEU CG C 3.551 -3.879 -0.350 1.00 . A A . 14 LEU CG 1 1 7 2379 1 1 14 LEU H H 3.033 -0.112 1.083 1.00 . A A . 14 LEU H 1 1 7 2380 1 1 14 LEU HA H 4.593 -2.364 1.790 1.00 . A A . 14 LEU HA 1 1 7 2381 1 1 14 LEU HB2 H 2.348 -2.532 0.778 1.00 . A A . 14 LEU HB2 1 1 7 2382 1 1 14 LEU HB3 H 2.982 -1.862 -0.710 1.00 . A A . 14 LEU HB3 1 1 7 2383 1 1 14 LEU HD11 H 2.854 -4.869 1.417 1.00 . A A . 14 LEU HD11 1 1 7 2384 1 1 14 LEU HD12 H 4.576 -4.485 1.431 1.00 . A A . 14 LEU HD12 1 1 7 2385 1 1 14 LEU HD13 H 3.981 -5.819 0.451 1.00 . A A . 14 LEU HD13 1 1 7 2386 1 1 14 LEU HD21 H 2.725 -5.364 -1.634 1.00 . A A . 14 LEU HD21 1 1 7 2387 1 1 14 LEU HD22 H 2.354 -3.706 -2.113 1.00 . A A . 14 LEU HD22 1 1 7 2388 1 1 14 LEU HD23 H 1.529 -4.437 -0.734 1.00 . A A . 14 LEU HD23 1 1 7 2389 1 1 14 LEU HG H 4.477 -3.842 -0.903 1.00 . A A . 14 LEU HG 1 1 7 2390 1 1 14 LEU N N 3.877 -0.482 1.422 1.00 . A A . 14 LEU N 1 1 7 2391 1 1 14 LEU O O 6.444 -2.400 0.065 1.00 . A A . 14 LEU O 1 1 7 2392 1 1 15 ALA C C 7.976 0.225 -0.781 1.00 . A A . 15 ALA C 1 1 7 2393 1 1 15 ALA CA C 6.743 -0.198 -1.570 1.00 . A A . 15 ALA CA 1 1 7 2394 1 1 15 ALA CB C 6.355 0.869 -2.584 1.00 . A A . 15 ALA CB 1 1 7 2395 1 1 15 ALA H H 4.917 0.210 -0.591 1.00 . A A . 15 ALA H 1 1 7 2396 1 1 15 ALA HA H 6.967 -1.114 -2.098 1.00 . A A . 15 ALA HA 1 1 7 2397 1 1 15 ALA HB1 H 5.491 0.539 -3.141 1.00 . A A . 15 ALA HB1 1 1 7 2398 1 1 15 ALA HB2 H 7.177 1.044 -3.264 1.00 . A A . 15 ALA HB2 1 1 7 2399 1 1 15 ALA HB3 H 6.118 1.784 -2.064 1.00 . A A . 15 ALA HB3 1 1 7 2400 1 1 15 ALA N N 5.629 -0.470 -0.666 1.00 . A A . 15 ALA N 1 1 7 2401 1 1 15 ALA O O 9.107 0.257 -1.304 1.00 . A A . 15 ALA O 1 1 7 2402 1 1 16 LYS C C 9.529 -0.283 1.858 1.00 . A A . 16 LYS C 1 1 7 2403 1 1 16 LYS CA C 8.815 0.969 1.346 1.00 . A A . 16 LYS CA 1 1 7 2404 1 1 16 LYS CB C 8.262 1.782 2.527 1.00 . A A . 16 LYS CB 1 1 7 2405 1 1 16 LYS CD C 10.067 3.570 2.597 1.00 . A A . 16 LYS CD 1 1 7 2406 1 1 16 LYS CE C 9.129 4.712 2.227 1.00 . A A . 16 LYS CE 1 1 7 2407 1 1 16 LYS CG C 9.333 2.470 3.377 1.00 . A A . 16 LYS CG 1 1 7 2408 1 1 16 LYS H H 6.826 0.561 0.793 1.00 . A A . 16 LYS H 1 1 7 2409 1 1 16 LYS HA H 9.502 1.581 0.783 1.00 . A A . 16 LYS HA 1 1 7 2410 1 1 16 LYS HB2 H 7.574 2.525 2.154 1.00 . A A . 16 LYS HB2 1 1 7 2411 1 1 16 LYS HB3 H 7.713 1.105 3.166 1.00 . A A . 16 LYS HB3 1 1 7 2412 1 1 16 LYS HD2 H 10.862 3.962 3.213 1.00 . A A . 16 LYS HD2 1 1 7 2413 1 1 16 LYS HD3 H 10.489 3.153 1.695 1.00 . A A . 16 LYS HD3 1 1 7 2414 1 1 16 LYS HE2 H 8.299 4.316 1.665 1.00 . A A . 16 LYS HE2 1 1 7 2415 1 1 16 LYS HE3 H 8.756 5.154 3.138 1.00 . A A . 16 LYS HE3 1 1 7 2416 1 1 16 LYS HG2 H 8.863 2.913 4.243 1.00 . A A . 16 LYS HG2 1 1 7 2417 1 1 16 LYS HG3 H 10.048 1.728 3.697 1.00 . A A . 16 LYS HG3 1 1 7 2418 1 1 16 LYS HZ1 H 10.591 6.178 1.921 1.00 . A A . 16 LYS HZ1 1 1 7 2419 1 1 16 LYS HZ2 H 9.113 6.516 1.192 1.00 . A A . 16 LYS HZ2 1 1 7 2420 1 1 16 LYS HZ3 H 10.125 5.366 0.516 1.00 . A A . 16 LYS HZ3 1 1 7 2421 1 1 16 LYS N N 7.751 0.577 0.469 1.00 . A A . 16 LYS N 1 1 7 2422 1 1 16 LYS NZ N 9.787 5.755 1.417 1.00 . A A . 16 LYS NZ 1 1 7 2423 1 1 16 LYS O O 10.757 -0.358 1.854 1.00 . A A . 16 LYS O 1 1 7 2424 1 1 17 ILE C C 9.556 -3.558 1.727 1.00 . A A . 17 ILE C 1 1 7 2425 1 1 17 ILE CA C 9.256 -2.519 2.815 1.00 . A A . 17 ILE CA 1 1 7 2426 1 1 17 ILE CB C 8.275 -3.124 3.862 1.00 . A A . 17 ILE CB 1 1 7 2427 1 1 17 ILE CD1 C 5.842 -3.927 4.171 1.00 . A A . 17 ILE CD1 1 1 7 2428 1 1 17 ILE CG1 C 6.867 -3.308 3.249 1.00 . A A . 17 ILE CG1 1 1 7 2429 1 1 17 ILE CG2 C 8.221 -2.241 5.105 1.00 . A A . 17 ILE CG2 1 1 7 2430 1 1 17 ILE H H 7.768 -1.151 2.178 1.00 . A A . 17 ILE H 1 1 7 2431 1 1 17 ILE HA H 10.180 -2.282 3.319 1.00 . A A . 17 ILE HA 1 1 7 2432 1 1 17 ILE HB H 8.658 -4.090 4.158 1.00 . A A . 17 ILE HB 1 1 7 2433 1 1 17 ILE HD11 H 4.889 -3.982 3.666 1.00 . A A . 17 ILE HD11 1 1 7 2434 1 1 17 ILE HD12 H 5.747 -3.322 5.059 1.00 . A A . 17 ILE HD12 1 1 7 2435 1 1 17 ILE HD13 H 6.159 -4.923 4.445 1.00 . A A . 17 ILE HD13 1 1 7 2436 1 1 17 ILE HG12 H 6.488 -2.341 2.954 1.00 . A A . 17 ILE HG12 1 1 7 2437 1 1 17 ILE HG13 H 6.950 -3.932 2.370 1.00 . A A . 17 ILE HG13 1 1 7 2438 1 1 17 ILE HG21 H 7.536 -2.670 5.821 1.00 . A A . 17 ILE HG21 1 1 7 2439 1 1 17 ILE HG22 H 7.881 -1.253 4.831 1.00 . A A . 17 ILE HG22 1 1 7 2440 1 1 17 ILE HG23 H 9.206 -2.173 5.543 1.00 . A A . 17 ILE HG23 1 1 7 2441 1 1 17 ILE N N 8.739 -1.269 2.257 1.00 . A A . 17 ILE N 1 1 7 2442 1 1 17 ILE O O 10.466 -4.380 1.867 1.00 . A A . 17 ILE O 1 1 7 2443 1 1 18 PHE C C 9.327 -3.651 -1.664 1.00 . A A . 18 PHE C 1 1 7 2444 1 1 18 PHE CA C 8.966 -4.445 -0.425 1.00 . A A . 18 PHE CA 1 1 7 2445 1 1 18 PHE CB C 7.689 -5.284 -0.635 1.00 . A A . 18 PHE CB 1 1 7 2446 1 1 18 PHE CD1 C 7.046 -6.130 -2.903 1.00 . A A . 18 PHE CD1 1 1 7 2447 1 1 18 PHE CD2 C 8.581 -7.414 -1.617 1.00 . A A . 18 PHE CD2 1 1 7 2448 1 1 18 PHE CE1 C 7.120 -7.054 -3.922 1.00 . A A . 18 PHE CE1 1 1 7 2449 1 1 18 PHE CE2 C 8.659 -8.344 -2.633 1.00 . A A . 18 PHE CE2 1 1 7 2450 1 1 18 PHE CG C 7.774 -6.298 -1.741 1.00 . A A . 18 PHE CG 1 1 7 2451 1 1 18 PHE CZ C 7.929 -8.164 -3.787 1.00 . A A . 18 PHE CZ 1 1 7 2452 1 1 18 PHE H H 8.063 -2.879 0.587 1.00 . A A . 18 PHE H 1 1 7 2453 1 1 18 PHE HA H 9.789 -5.100 -0.182 1.00 . A A . 18 PHE HA 1 1 7 2454 1 1 18 PHE HB2 H 7.461 -5.815 0.277 1.00 . A A . 18 PHE HB2 1 1 7 2455 1 1 18 PHE HB3 H 6.871 -4.613 -0.856 1.00 . A A . 18 PHE HB3 1 1 7 2456 1 1 18 PHE HD1 H 6.414 -5.262 -3.008 1.00 . A A . 18 PHE HD1 1 1 7 2457 1 1 18 PHE HD2 H 9.153 -7.555 -0.713 1.00 . A A . 18 PHE HD2 1 1 7 2458 1 1 18 PHE HE1 H 6.548 -6.912 -4.826 1.00 . A A . 18 PHE HE1 1 1 7 2459 1 1 18 PHE HE2 H 9.292 -9.213 -2.526 1.00 . A A . 18 PHE HE2 1 1 7 2460 1 1 18 PHE HZ H 7.984 -8.887 -4.587 1.00 . A A . 18 PHE HZ 1 1 7 2461 1 1 18 PHE N N 8.795 -3.533 0.671 1.00 . A A . 18 PHE N 1 1 7 2462 1 1 18 PHE O O 8.467 -3.000 -2.284 1.00 . A A . 18 PHE O 1 1 7 2463 1 1 19 LYS C C 10.643 -3.509 -4.377 1.00 . A A . 19 LYS C 1 1 7 2464 1 1 19 LYS CA C 11.156 -2.921 -3.083 1.00 . A A . 19 LYS CA 1 1 7 2465 1 1 19 LYS CB C 12.693 -2.984 -3.077 1.00 . A A . 19 LYS CB 1 1 7 2466 1 1 19 LYS CD C 12.932 -1.385 -1.124 1.00 . A A . 19 LYS CD 1 1 7 2467 1 1 19 LYS CE C 13.716 -1.112 0.145 1.00 . A A . 19 LYS CE 1 1 7 2468 1 1 19 LYS CG C 13.362 -2.702 -1.734 1.00 . A A . 19 LYS CG 1 1 7 2469 1 1 19 LYS H H 11.215 -4.205 -1.432 1.00 . A A . 19 LYS H 1 1 7 2470 1 1 19 LYS HA H 10.845 -1.890 -3.002 1.00 . A A . 19 LYS HA 1 1 7 2471 1 1 19 LYS HB2 H 12.997 -3.969 -3.396 1.00 . A A . 19 LYS HB2 1 1 7 2472 1 1 19 LYS HB3 H 13.063 -2.265 -3.794 1.00 . A A . 19 LYS HB3 1 1 7 2473 1 1 19 LYS HD2 H 13.099 -0.596 -1.841 1.00 . A A . 19 LYS HD2 1 1 7 2474 1 1 19 LYS HD3 H 11.880 -1.437 -0.885 1.00 . A A . 19 LYS HD3 1 1 7 2475 1 1 19 LYS HE2 H 13.590 -1.945 0.818 1.00 . A A . 19 LYS HE2 1 1 7 2476 1 1 19 LYS HE3 H 14.761 -1.020 -0.110 1.00 . A A . 19 LYS HE3 1 1 7 2477 1 1 19 LYS HG2 H 13.109 -3.491 -1.042 1.00 . A A . 19 LYS HG2 1 1 7 2478 1 1 19 LYS HG3 H 14.432 -2.688 -1.880 1.00 . A A . 19 LYS HG3 1 1 7 2479 1 1 19 LYS HZ1 H 12.303 -0.009 1.173 1.00 . A A . 19 LYS HZ1 1 1 7 2480 1 1 19 LYS HZ2 H 13.288 0.919 0.168 1.00 . A A . 19 LYS HZ2 1 1 7 2481 1 1 19 LYS HZ3 H 13.894 0.309 1.640 1.00 . A A . 19 LYS HZ3 1 1 7 2482 1 1 19 LYS N N 10.606 -3.661 -1.973 1.00 . A A . 19 LYS N 1 1 7 2483 1 1 19 LYS NZ N 13.279 0.112 0.825 1.00 . A A . 19 LYS NZ 1 1 7 2484 1 1 19 LYS O O 11.157 -4.564 -4.803 1.00 . A A . 19 LYS O 1 1 7 2485 1 1 19 LYS OXT O 9.735 -2.928 -4.991 1.00 . A A . 19 LYS OXT 1 1 8 2486 1 1 1 PRO C C -14.907 9.020 2.859 1.00 . A A . 1 PRO C 1 1 8 2487 1 1 1 PRO CA C -14.299 10.389 2.622 1.00 . A A . 1 PRO CA 1 1 8 2488 1 1 1 PRO CB C -13.047 10.250 1.761 1.00 . A A . 1 PRO CB 1 1 8 2489 1 1 1 PRO CD C -12.417 11.231 3.851 1.00 . A A . 1 PRO CD 1 1 8 2490 1 1 1 PRO CG C -11.929 10.322 2.749 1.00 . A A . 1 PRO CG 1 1 8 2491 1 1 1 PRO H2 H -13.189 10.362 4.370 1.00 . A A . 1 PRO H2 1 1 8 2492 1 1 1 PRO H3 H -14.761 10.842 4.487 1.00 . A A . 1 PRO H3 1 1 8 2493 1 1 1 PRO HA H -15.007 11.043 2.135 1.00 . A A . 1 PRO HA 1 1 8 2494 1 1 1 PRO HB2 H -13.065 9.297 1.253 1.00 . A A . 1 PRO HB2 1 1 8 2495 1 1 1 PRO HB3 H -12.995 11.058 1.046 1.00 . A A . 1 PRO HB3 1 1 8 2496 1 1 1 PRO HD2 H -11.871 11.043 4.768 1.00 . A A . 1 PRO HD2 1 1 8 2497 1 1 1 PRO HD3 H -12.208 12.245 3.539 1.00 . A A . 1 PRO HD3 1 1 8 2498 1 1 1 PRO HG2 H -11.719 9.337 3.138 1.00 . A A . 1 PRO HG2 1 1 8 2499 1 1 1 PRO HG3 H -11.047 10.738 2.283 1.00 . A A . 1 PRO HG3 1 1 8 2500 1 1 1 PRO N N -13.905 10.947 3.905 1.00 . A A . 1 PRO N 1 1 8 2501 1 1 1 PRO O O -15.031 8.601 4.005 1.00 . A A . 1 PRO O 1 1 8 2502 1 1 2 MET C C -14.625 6.012 1.866 1.00 . A A . 2 MET C 1 1 8 2503 1 1 2 MET CA C -15.795 6.969 1.928 1.00 . A A . 2 MET CA 1 1 8 2504 1 1 2 MET CB C -16.810 6.625 0.836 1.00 . A A . 2 MET CB 1 1 8 2505 1 1 2 MET CE C -20.641 8.038 -0.024 1.00 . A A . 2 MET CE 1 1 8 2506 1 1 2 MET CG C -18.120 7.383 0.926 1.00 . A A . 2 MET CG 1 1 8 2507 1 1 2 MET H H -15.268 8.753 0.912 1.00 . A A . 2 MET H 1 1 8 2508 1 1 2 MET HA H -16.263 6.880 2.897 1.00 . A A . 2 MET HA 1 1 8 2509 1 1 2 MET HB2 H -16.364 6.846 -0.122 1.00 . A A . 2 MET HB2 1 1 8 2510 1 1 2 MET HB3 H -17.024 5.567 0.882 1.00 . A A . 2 MET HB3 1 1 8 2511 1 1 2 MET HE1 H -20.309 9.065 -0.051 1.00 . A A . 2 MET HE1 1 1 8 2512 1 1 2 MET HE2 H -21.024 7.808 0.959 1.00 . A A . 2 MET HE2 1 1 8 2513 1 1 2 MET HE3 H -21.424 7.894 -0.754 1.00 . A A . 2 MET HE3 1 1 8 2514 1 1 2 MET HG2 H -18.586 7.138 1.870 1.00 . A A . 2 MET HG2 1 1 8 2515 1 1 2 MET HG3 H -17.925 8.444 0.890 1.00 . A A . 2 MET HG3 1 1 8 2516 1 1 2 MET N N -15.300 8.334 1.802 1.00 . A A . 2 MET N 1 1 8 2517 1 1 2 MET O O -14.565 5.031 2.602 1.00 . A A . 2 MET O 1 1 8 2518 1 1 2 MET SD S -19.263 6.951 -0.404 1.00 . A A . 2 MET SD 1 1 8 2519 1 1 3 ALA C C -11.485 5.955 1.894 1.00 . A A . 3 ALA C 1 1 8 2520 1 1 3 ALA CA C -12.499 5.517 0.865 1.00 . A A . 3 ALA CA 1 1 8 2521 1 1 3 ALA CB C -11.917 5.639 -0.538 1.00 . A A . 3 ALA CB 1 1 8 2522 1 1 3 ALA H H -13.799 7.102 0.427 1.00 . A A . 3 ALA H 1 1 8 2523 1 1 3 ALA HA H -12.764 4.488 1.047 1.00 . A A . 3 ALA HA 1 1 8 2524 1 1 3 ALA HB1 H -11.053 4.998 -0.625 1.00 . A A . 3 ALA HB1 1 1 8 2525 1 1 3 ALA HB2 H -11.623 6.663 -0.714 1.00 . A A . 3 ALA HB2 1 1 8 2526 1 1 3 ALA HB3 H -12.657 5.352 -1.270 1.00 . A A . 3 ALA HB3 1 1 8 2527 1 1 3 ALA N N -13.690 6.314 1.002 1.00 . A A . 3 ALA N 1 1 8 2528 1 1 3 ALA O O -10.779 6.945 1.696 1.00 . A A . 3 ALA O 1 1 8 2529 1 1 4 ARG C C -9.225 4.867 3.918 1.00 . A A . 4 ARG C 1 1 8 2530 1 1 4 ARG CA C -10.511 5.652 4.054 1.00 . A A . 4 ARG CA 1 1 8 2531 1 1 4 ARG CB C -11.091 5.555 5.494 1.00 . A A . 4 ARG CB 1 1 8 2532 1 1 4 ARG CD C -12.222 3.261 5.415 1.00 . A A . 4 ARG CD 1 1 8 2533 1 1 4 ARG CG C -11.224 4.157 6.120 1.00 . A A . 4 ARG CG 1 1 8 2534 1 1 4 ARG CZ C -14.691 3.094 5.197 1.00 . A A . 4 ARG CZ 1 1 8 2535 1 1 4 ARG H H -12.070 4.517 3.114 1.00 . A A . 4 ARG H 1 1 8 2536 1 1 4 ARG HA H -10.270 6.684 3.846 1.00 . A A . 4 ARG HA 1 1 8 2537 1 1 4 ARG HB2 H -10.450 6.129 6.146 1.00 . A A . 4 ARG HB2 1 1 8 2538 1 1 4 ARG HB3 H -12.066 6.020 5.491 1.00 . A A . 4 ARG HB3 1 1 8 2539 1 1 4 ARG HD2 H -11.886 3.127 4.400 1.00 . A A . 4 ARG HD2 1 1 8 2540 1 1 4 ARG HD3 H -12.240 2.305 5.915 1.00 . A A . 4 ARG HD3 1 1 8 2541 1 1 4 ARG HE H -13.634 4.791 5.541 1.00 . A A . 4 ARG HE 1 1 8 2542 1 1 4 ARG HG2 H -10.260 3.674 6.085 1.00 . A A . 4 ARG HG2 1 1 8 2543 1 1 4 ARG HG3 H -11.521 4.275 7.151 1.00 . A A . 4 ARG HG3 1 1 8 2544 1 1 4 ARG HH11 H -13.717 1.289 4.981 1.00 . A A . 4 ARG HH11 1 1 8 2545 1 1 4 ARG HH12 H -15.401 1.194 4.835 1.00 . A A . 4 ARG HH12 1 1 8 2546 1 1 4 ARG HH21 H -16.005 4.673 5.317 1.00 . A A . 4 ARG HH21 1 1 8 2547 1 1 4 ARG HH22 H -16.727 3.161 5.037 1.00 . A A . 4 ARG HH22 1 1 8 2548 1 1 4 ARG N N -11.450 5.273 3.017 1.00 . A A . 4 ARG N 1 1 8 2549 1 1 4 ARG NE N -13.579 3.820 5.398 1.00 . A A . 4 ARG NE 1 1 8 2550 1 1 4 ARG NH1 N -14.599 1.773 4.992 1.00 . A A . 4 ARG NH1 1 1 8 2551 1 1 4 ARG NH2 N -15.883 3.685 5.184 1.00 . A A . 4 ARG NH2 1 1 8 2552 1 1 4 ARG O O -8.138 5.369 4.204 1.00 . A A . 4 ARG O 1 1 8 2553 1 1 5 ASN C C -7.998 2.563 1.785 1.00 . A A . 5 ASN C 1 1 8 2554 1 1 5 ASN CA C -8.193 2.800 3.260 1.00 . A A . 5 ASN CA 1 1 8 2555 1 1 5 ASN CB C -8.351 1.456 3.986 1.00 . A A . 5 ASN CB 1 1 8 2556 1 1 5 ASN CG C -7.084 0.595 3.936 1.00 . A A . 5 ASN CG 1 1 8 2557 1 1 5 ASN H H -10.223 3.324 3.152 1.00 . A A . 5 ASN H 1 1 8 2558 1 1 5 ASN HA H -7.332 3.323 3.649 1.00 . A A . 5 ASN HA 1 1 8 2559 1 1 5 ASN HB2 H -8.599 1.637 5.021 1.00 . A A . 5 ASN HB2 1 1 8 2560 1 1 5 ASN HB3 H -9.157 0.904 3.524 1.00 . A A . 5 ASN HB3 1 1 8 2561 1 1 5 ASN HD21 H -5.882 2.168 4.274 1.00 . A A . 5 ASN HD21 1 1 8 2562 1 1 5 ASN HD22 H -5.124 0.641 4.073 1.00 . A A . 5 ASN HD22 1 1 8 2563 1 1 5 ASN N N -9.343 3.653 3.435 1.00 . A A . 5 ASN N 1 1 8 2564 1 1 5 ASN ND2 N -5.927 1.200 4.110 1.00 . A A . 5 ASN ND2 1 1 8 2565 1 1 5 ASN O O -8.525 1.608 1.214 1.00 . A A . 5 ASN O 1 1 8 2566 1 1 5 ASN OD1 O -7.156 -0.628 3.807 1.00 . A A . 5 ASN OD1 1 1 8 2567 1 1 6 LYS C C -5.914 2.458 -0.521 1.00 . A A . 6 LYS C 1 1 8 2568 1 1 6 LYS CA C -7.092 3.393 -0.255 1.00 . A A . 6 LYS CA 1 1 8 2569 1 1 6 LYS CB C -6.799 4.787 -0.805 1.00 . A A . 6 LYS CB 1 1 8 2570 1 1 6 LYS CD C -7.572 7.149 -1.094 1.00 . A A . 6 LYS CD 1 1 8 2571 1 1 6 LYS CE C -8.681 8.157 -0.826 1.00 . A A . 6 LYS CE 1 1 8 2572 1 1 6 LYS CG C -7.905 5.793 -0.520 1.00 . A A . 6 LYS CG 1 1 8 2573 1 1 6 LYS H H -6.987 4.257 1.639 1.00 . A A . 6 LYS H 1 1 8 2574 1 1 6 LYS HA H -7.987 3.014 -0.723 1.00 . A A . 6 LYS HA 1 1 8 2575 1 1 6 LYS HB2 H -5.883 5.149 -0.361 1.00 . A A . 6 LYS HB2 1 1 8 2576 1 1 6 LYS HB3 H -6.668 4.719 -1.875 1.00 . A A . 6 LYS HB3 1 1 8 2577 1 1 6 LYS HD2 H -6.655 7.503 -0.646 1.00 . A A . 6 LYS HD2 1 1 8 2578 1 1 6 LYS HD3 H -7.438 7.031 -2.157 1.00 . A A . 6 LYS HD3 1 1 8 2579 1 1 6 LYS HE2 H -9.600 7.789 -1.259 1.00 . A A . 6 LYS HE2 1 1 8 2580 1 1 6 LYS HE3 H -8.805 8.263 0.241 1.00 . A A . 6 LYS HE3 1 1 8 2581 1 1 6 LYS HG2 H -8.826 5.442 -0.958 1.00 . A A . 6 LYS HG2 1 1 8 2582 1 1 6 LYS HG3 H -8.027 5.884 0.550 1.00 . A A . 6 LYS HG3 1 1 8 2583 1 1 6 LYS HZ1 H -9.105 10.165 -1.135 1.00 . A A . 6 LYS HZ1 1 1 8 2584 1 1 6 LYS HZ2 H -8.352 9.431 -2.447 1.00 . A A . 6 LYS HZ2 1 1 8 2585 1 1 6 LYS HZ3 H -7.459 9.821 -1.062 1.00 . A A . 6 LYS HZ3 1 1 8 2586 1 1 6 LYS N N -7.332 3.480 1.152 1.00 . A A . 6 LYS N 1 1 8 2587 1 1 6 LYS NZ N -8.377 9.477 -1.410 1.00 . A A . 6 LYS NZ 1 1 8 2588 1 1 6 LYS O O -4.888 2.549 0.154 1.00 . A A . 6 LYS O 1 1 8 2589 1 1 7 PRO C C -3.676 1.382 -2.332 1.00 . A A . 7 PRO C 1 1 8 2590 1 1 7 PRO CA C -4.929 0.624 -1.878 1.00 . A A . 7 PRO CA 1 1 8 2591 1 1 7 PRO CB C -5.510 -0.184 -3.048 1.00 . A A . 7 PRO CB 1 1 8 2592 1 1 7 PRO CD C -7.226 1.323 -2.350 1.00 . A A . 7 PRO CD 1 1 8 2593 1 1 7 PRO CG C -6.988 -0.047 -2.913 1.00 . A A . 7 PRO CG 1 1 8 2594 1 1 7 PRO HA H -4.676 -0.030 -1.058 1.00 . A A . 7 PRO HA 1 1 8 2595 1 1 7 PRO HB2 H -5.157 0.232 -3.980 1.00 . A A . 7 PRO HB2 1 1 8 2596 1 1 7 PRO HB3 H -5.200 -1.216 -2.969 1.00 . A A . 7 PRO HB3 1 1 8 2597 1 1 7 PRO HD2 H -7.297 2.054 -3.143 1.00 . A A . 7 PRO HD2 1 1 8 2598 1 1 7 PRO HD3 H -8.122 1.319 -1.746 1.00 . A A . 7 PRO HD3 1 1 8 2599 1 1 7 PRO HG2 H -7.460 -0.144 -3.880 1.00 . A A . 7 PRO HG2 1 1 8 2600 1 1 7 PRO HG3 H -7.365 -0.800 -2.236 1.00 . A A . 7 PRO HG3 1 1 8 2601 1 1 7 PRO N N -6.025 1.553 -1.516 1.00 . A A . 7 PRO N 1 1 8 2602 1 1 7 PRO O O -2.580 0.843 -2.364 1.00 . A A . 7 PRO O 1 1 8 2603 1 1 8 LYS C C -1.834 3.801 -1.945 1.00 . A A . 8 LYS C 1 1 8 2604 1 1 8 LYS CA C -2.821 3.535 -3.090 1.00 . A A . 8 LYS CA 1 1 8 2605 1 1 8 LYS CB C -3.436 4.850 -3.559 1.00 . A A . 8 LYS CB 1 1 8 2606 1 1 8 LYS CD C -5.092 6.018 -5.070 1.00 . A A . 8 LYS CD 1 1 8 2607 1 1 8 LYS CE C -4.054 6.945 -5.677 1.00 . A A . 8 LYS CE 1 1 8 2608 1 1 8 LYS CG C -4.481 4.685 -4.661 1.00 . A A . 8 LYS CG 1 1 8 2609 1 1 8 LYS H H -4.797 2.959 -2.622 1.00 . A A . 8 LYS H 1 1 8 2610 1 1 8 LYS HA H -2.298 3.082 -3.918 1.00 . A A . 8 LYS HA 1 1 8 2611 1 1 8 LYS HB2 H -3.903 5.333 -2.714 1.00 . A A . 8 LYS HB2 1 1 8 2612 1 1 8 LYS HB3 H -2.642 5.479 -3.931 1.00 . A A . 8 LYS HB3 1 1 8 2613 1 1 8 LYS HD2 H -5.873 5.839 -5.794 1.00 . A A . 8 LYS HD2 1 1 8 2614 1 1 8 LYS HD3 H -5.517 6.488 -4.196 1.00 . A A . 8 LYS HD3 1 1 8 2615 1 1 8 LYS HE2 H -3.280 7.121 -4.947 1.00 . A A . 8 LYS HE2 1 1 8 2616 1 1 8 LYS HE3 H -3.628 6.467 -6.545 1.00 . A A . 8 LYS HE3 1 1 8 2617 1 1 8 LYS HG2 H -4.009 4.238 -5.524 1.00 . A A . 8 LYS HG2 1 1 8 2618 1 1 8 LYS HG3 H -5.263 4.033 -4.303 1.00 . A A . 8 LYS HG3 1 1 8 2619 1 1 8 LYS HZ1 H -5.078 8.719 -5.260 1.00 . A A . 8 LYS HZ1 1 1 8 2620 1 1 8 LYS HZ2 H -5.329 8.143 -6.824 1.00 . A A . 8 LYS HZ2 1 1 8 2621 1 1 8 LYS HZ3 H -3.876 8.878 -6.411 1.00 . A A . 8 LYS HZ3 1 1 8 2622 1 1 8 LYS N N -3.873 2.639 -2.665 1.00 . A A . 8 LYS N 1 1 8 2623 1 1 8 LYS NZ N -4.626 8.243 -6.068 1.00 . A A . 8 LYS NZ 1 1 8 2624 1 1 8 LYS O O -0.621 3.753 -2.139 1.00 . A A . 8 LYS O 1 1 8 2625 1 1 9 ILE C C -0.855 3.029 0.911 1.00 . A A . 9 ILE C 1 1 8 2626 1 1 9 ILE CA C -1.480 4.328 0.397 1.00 . A A . 9 ILE CA 1 1 8 2627 1 1 9 ILE CB C -2.207 5.137 1.543 1.00 . A A . 9 ILE CB 1 1 8 2628 1 1 9 ILE CD1 C -0.119 6.448 2.253 1.00 . A A . 9 ILE CD1 1 1 8 2629 1 1 9 ILE CG1 C -1.238 5.518 2.676 1.00 . A A . 9 ILE CG1 1 1 8 2630 1 1 9 ILE CG2 C -3.403 4.393 2.106 1.00 . A A . 9 ILE CG2 1 1 8 2631 1 1 9 ILE H H -3.322 3.985 -0.605 1.00 . A A . 9 ILE H 1 1 8 2632 1 1 9 ILE HA H -0.674 4.925 -0.007 1.00 . A A . 9 ILE HA 1 1 8 2633 1 1 9 ILE HB H -2.581 6.048 1.099 1.00 . A A . 9 ILE HB 1 1 8 2634 1 1 9 ILE HD11 H 0.495 6.683 3.109 1.00 . A A . 9 ILE HD11 1 1 8 2635 1 1 9 ILE HD12 H -0.538 7.359 1.849 1.00 . A A . 9 ILE HD12 1 1 8 2636 1 1 9 ILE HD13 H 0.487 5.964 1.501 1.00 . A A . 9 ILE HD13 1 1 8 2637 1 1 9 ILE HG12 H -1.790 6.010 3.463 1.00 . A A . 9 ILE HG12 1 1 8 2638 1 1 9 ILE HG13 H -0.791 4.617 3.069 1.00 . A A . 9 ILE HG13 1 1 8 2639 1 1 9 ILE HG21 H -3.075 3.449 2.515 1.00 . A A . 9 ILE HG21 1 1 8 2640 1 1 9 ILE HG22 H -4.120 4.212 1.317 1.00 . A A . 9 ILE HG22 1 1 8 2641 1 1 9 ILE HG23 H -3.864 4.984 2.883 1.00 . A A . 9 ILE HG23 1 1 8 2642 1 1 9 ILE N N -2.353 4.035 -0.738 1.00 . A A . 9 ILE N 1 1 8 2643 1 1 9 ILE O O 0.291 3.011 1.376 1.00 . A A . 9 ILE O 1 1 8 2644 1 1 10 LEU C C 0.091 0.275 0.224 1.00 . A A . 10 LEU C 1 1 8 2645 1 1 10 LEU CA C -1.100 0.608 1.101 1.00 . A A . 10 LEU CA 1 1 8 2646 1 1 10 LEU CB C -2.189 -0.457 0.947 1.00 . A A . 10 LEU CB 1 1 8 2647 1 1 10 LEU CD1 C -4.395 -1.449 1.603 1.00 . A A . 10 LEU CD1 1 1 8 2648 1 1 10 LEU CD2 C -2.891 -0.493 3.353 1.00 . A A . 10 LEU CD2 1 1 8 2649 1 1 10 LEU CG C -3.373 -0.365 1.913 1.00 . A A . 10 LEU CG 1 1 8 2650 1 1 10 LEU H H -2.510 2.034 0.411 1.00 . A A . 10 LEU H 1 1 8 2651 1 1 10 LEU HA H -0.772 0.640 2.130 1.00 . A A . 10 LEU HA 1 1 8 2652 1 1 10 LEU HB2 H -2.572 -0.393 -0.060 1.00 . A A . 10 LEU HB2 1 1 8 2653 1 1 10 LEU HB3 H -1.727 -1.425 1.074 1.00 . A A . 10 LEU HB3 1 1 8 2654 1 1 10 LEU HD11 H -5.225 -1.365 2.289 1.00 . A A . 10 LEU HD11 1 1 8 2655 1 1 10 LEU HD12 H -3.934 -2.419 1.717 1.00 . A A . 10 LEU HD12 1 1 8 2656 1 1 10 LEU HD13 H -4.752 -1.340 0.591 1.00 . A A . 10 LEU HD13 1 1 8 2657 1 1 10 LEU HD21 H -2.233 0.329 3.592 1.00 . A A . 10 LEU HD21 1 1 8 2658 1 1 10 LEU HD22 H -2.355 -1.423 3.468 1.00 . A A . 10 LEU HD22 1 1 8 2659 1 1 10 LEU HD23 H -3.738 -0.486 4.021 1.00 . A A . 10 LEU HD23 1 1 8 2660 1 1 10 LEU HG H -3.854 0.595 1.799 1.00 . A A . 10 LEU HG 1 1 8 2661 1 1 10 LEU N N -1.599 1.931 0.757 1.00 . A A . 10 LEU N 1 1 8 2662 1 1 10 LEU O O 1.102 -0.202 0.700 1.00 . A A . 10 LEU O 1 1 8 2663 1 1 11 LYS C C 2.281 1.146 -1.582 1.00 . A A . 11 LYS C 1 1 8 2664 1 1 11 LYS CA C 1.028 0.391 -2.029 1.00 . A A . 11 LYS CA 1 1 8 2665 1 1 11 LYS CB C 0.574 0.913 -3.395 1.00 . A A . 11 LYS CB 1 1 8 2666 1 1 11 LYS CD C 1.119 1.481 -5.761 1.00 . A A . 11 LYS CD 1 1 8 2667 1 1 11 LYS CE C 2.150 1.432 -6.874 1.00 . A A . 11 LYS CE 1 1 8 2668 1 1 11 LYS CG C 1.622 0.833 -4.488 1.00 . A A . 11 LYS CG 1 1 8 2669 1 1 11 LYS H H -0.905 0.916 -1.380 1.00 . A A . 11 LYS H 1 1 8 2670 1 1 11 LYS HA H 1.247 -0.663 -2.110 1.00 . A A . 11 LYS HA 1 1 8 2671 1 1 11 LYS HB2 H -0.286 0.342 -3.712 1.00 . A A . 11 LYS HB2 1 1 8 2672 1 1 11 LYS HB3 H 0.278 1.946 -3.282 1.00 . A A . 11 LYS HB3 1 1 8 2673 1 1 11 LYS HD2 H 0.234 0.955 -6.087 1.00 . A A . 11 LYS HD2 1 1 8 2674 1 1 11 LYS HD3 H 0.870 2.511 -5.554 1.00 . A A . 11 LYS HD3 1 1 8 2675 1 1 11 LYS HE2 H 2.388 0.398 -7.077 1.00 . A A . 11 LYS HE2 1 1 8 2676 1 1 11 LYS HE3 H 1.721 1.881 -7.758 1.00 . A A . 11 LYS HE3 1 1 8 2677 1 1 11 LYS HG2 H 2.514 1.344 -4.158 1.00 . A A . 11 LYS HG2 1 1 8 2678 1 1 11 LYS HG3 H 1.848 -0.205 -4.684 1.00 . A A . 11 LYS HG3 1 1 8 2679 1 1 11 LYS HZ1 H 3.213 3.129 -6.252 1.00 . A A . 11 LYS HZ1 1 1 8 2680 1 1 11 LYS HZ2 H 4.022 2.167 -7.360 1.00 . A A . 11 LYS HZ2 1 1 8 2681 1 1 11 LYS HZ3 H 3.922 1.667 -5.765 1.00 . A A . 11 LYS HZ3 1 1 8 2682 1 1 11 LYS N N -0.041 0.576 -1.059 1.00 . A A . 11 LYS N 1 1 8 2683 1 1 11 LYS NZ N 3.400 2.145 -6.527 1.00 . A A . 11 LYS NZ 1 1 8 2684 1 1 11 LYS O O 3.398 0.600 -1.606 1.00 . A A . 11 LYS O 1 1 8 2685 1 1 12 ARG C C 3.895 2.608 0.482 1.00 . A A . 12 ARG C 1 1 8 2686 1 1 12 ARG CA C 3.174 3.220 -0.698 1.00 . A A . 12 ARG CA 1 1 8 2687 1 1 12 ARG CB C 2.719 4.628 -0.344 1.00 . A A . 12 ARG CB 1 1 8 2688 1 1 12 ARG CD C 1.966 6.871 -1.109 1.00 . A A . 12 ARG CD 1 1 8 2689 1 1 12 ARG CG C 2.171 5.424 -1.507 1.00 . A A . 12 ARG CG 1 1 8 2690 1 1 12 ARG CZ C 3.333 8.531 0.164 1.00 . A A . 12 ARG CZ 1 1 8 2691 1 1 12 ARG H H 1.163 2.729 -1.127 1.00 . A A . 12 ARG H 1 1 8 2692 1 1 12 ARG HA H 3.876 3.284 -1.517 1.00 . A A . 12 ARG HA 1 1 8 2693 1 1 12 ARG HB2 H 1.947 4.559 0.408 1.00 . A A . 12 ARG HB2 1 1 8 2694 1 1 12 ARG HB3 H 3.557 5.169 0.071 1.00 . A A . 12 ARG HB3 1 1 8 2695 1 1 12 ARG HD2 H 1.603 7.417 -1.967 1.00 . A A . 12 ARG HD2 1 1 8 2696 1 1 12 ARG HD3 H 1.244 6.923 -0.309 1.00 . A A . 12 ARG HD3 1 1 8 2697 1 1 12 ARG HE H 4.039 7.052 -1.006 1.00 . A A . 12 ARG HE 1 1 8 2698 1 1 12 ARG HG2 H 2.871 5.367 -2.327 1.00 . A A . 12 ARG HG2 1 1 8 2699 1 1 12 ARG HG3 H 1.225 5.001 -1.809 1.00 . A A . 12 ARG HG3 1 1 8 2700 1 1 12 ARG HH11 H 1.323 8.821 0.398 1.00 . A A . 12 ARG HH11 1 1 8 2701 1 1 12 ARG HH12 H 2.297 9.908 1.275 1.00 . A A . 12 ARG HH12 1 1 8 2702 1 1 12 ARG HH21 H 5.370 8.522 0.168 1.00 . A A . 12 ARG HH21 1 1 8 2703 1 1 12 ARG HH22 H 4.678 9.759 1.111 1.00 . A A . 12 ARG HH22 1 1 8 2704 1 1 12 ARG N N 2.081 2.383 -1.145 1.00 . A A . 12 ARG N 1 1 8 2705 1 1 12 ARG NE N 3.225 7.482 -0.658 1.00 . A A . 12 ARG NE 1 1 8 2706 1 1 12 ARG NH1 N 2.246 9.131 0.642 1.00 . A A . 12 ARG NH1 1 1 8 2707 1 1 12 ARG NH2 N 4.539 8.968 0.508 1.00 . A A . 12 ARG NH2 1 1 8 2708 1 1 12 ARG O O 5.109 2.411 0.429 1.00 . A A . 12 ARG O 1 1 8 2709 1 1 13 ILE C C 4.446 0.352 2.386 1.00 . A A . 13 ILE C 1 1 8 2710 1 1 13 ILE CA C 3.797 1.714 2.704 1.00 . A A . 13 ILE CA 1 1 8 2711 1 1 13 ILE CB C 2.843 1.659 3.943 1.00 . A A . 13 ILE CB 1 1 8 2712 1 1 13 ILE CD1 C 2.800 1.309 6.471 1.00 . A A . 13 ILE CD1 1 1 8 2713 1 1 13 ILE CG1 C 3.627 1.288 5.207 1.00 . A A . 13 ILE CG1 1 1 8 2714 1 1 13 ILE CG2 C 1.679 0.698 3.721 1.00 . A A . 13 ILE CG2 1 1 8 2715 1 1 13 ILE H H 2.187 2.389 1.500 1.00 . A A . 13 ILE H 1 1 8 2716 1 1 13 ILE HA H 4.618 2.381 2.922 1.00 . A A . 13 ILE HA 1 1 8 2717 1 1 13 ILE HB H 2.425 2.646 4.076 1.00 . A A . 13 ILE HB 1 1 8 2718 1 1 13 ILE HD11 H 1.984 0.610 6.369 1.00 . A A . 13 ILE HD11 1 1 8 2719 1 1 13 ILE HD12 H 2.408 2.303 6.632 1.00 . A A . 13 ILE HD12 1 1 8 2720 1 1 13 ILE HD13 H 3.413 1.022 7.310 1.00 . A A . 13 ILE HD13 1 1 8 2721 1 1 13 ILE HG12 H 4.026 0.291 5.093 1.00 . A A . 13 ILE HG12 1 1 8 2722 1 1 13 ILE HG13 H 4.446 1.982 5.331 1.00 . A A . 13 ILE HG13 1 1 8 2723 1 1 13 ILE HG21 H 2.062 -0.299 3.558 1.00 . A A . 13 ILE HG21 1 1 8 2724 1 1 13 ILE HG22 H 1.124 1.012 2.850 1.00 . A A . 13 ILE HG22 1 1 8 2725 1 1 13 ILE HG23 H 1.032 0.703 4.585 1.00 . A A . 13 ILE HG23 1 1 8 2726 1 1 13 ILE N N 3.164 2.266 1.524 1.00 . A A . 13 ILE N 1 1 8 2727 1 1 13 ILE O O 5.538 0.036 2.879 1.00 . A A . 13 ILE O 1 1 8 2728 1 1 14 LEU C C 5.613 -1.459 0.171 1.00 . A A . 14 LEU C 1 1 8 2729 1 1 14 LEU CA C 4.370 -1.666 1.027 1.00 . A A . 14 LEU CA 1 1 8 2730 1 1 14 LEU CB C 3.333 -2.513 0.277 1.00 . A A . 14 LEU CB 1 1 8 2731 1 1 14 LEU CD1 C 1.191 -3.816 0.232 1.00 . A A . 14 LEU CD1 1 1 8 2732 1 1 14 LEU CD2 C 2.705 -3.995 2.203 1.00 . A A . 14 LEU CD2 1 1 8 2733 1 1 14 LEU CG C 2.177 -3.073 1.115 1.00 . A A . 14 LEU CG 1 1 8 2734 1 1 14 LEU H H 2.953 -0.102 1.133 1.00 . A A . 14 LEU H 1 1 8 2735 1 1 14 LEU HA H 4.677 -2.203 1.911 1.00 . A A . 14 LEU HA 1 1 8 2736 1 1 14 LEU HB2 H 2.909 -1.899 -0.505 1.00 . A A . 14 LEU HB2 1 1 8 2737 1 1 14 LEU HB3 H 3.846 -3.343 -0.184 1.00 . A A . 14 LEU HB3 1 1 8 2738 1 1 14 LEU HD11 H 1.692 -4.638 -0.259 1.00 . A A . 14 LEU HD11 1 1 8 2739 1 1 14 LEU HD12 H 0.794 -3.142 -0.512 1.00 . A A . 14 LEU HD12 1 1 8 2740 1 1 14 LEU HD13 H 0.383 -4.199 0.838 1.00 . A A . 14 LEU HD13 1 1 8 2741 1 1 14 LEU HD21 H 1.873 -4.426 2.738 1.00 . A A . 14 LEU HD21 1 1 8 2742 1 1 14 LEU HD22 H 3.314 -3.432 2.894 1.00 . A A . 14 LEU HD22 1 1 8 2743 1 1 14 LEU HD23 H 3.295 -4.782 1.759 1.00 . A A . 14 LEU HD23 1 1 8 2744 1 1 14 LEU HG H 1.653 -2.255 1.587 1.00 . A A . 14 LEU HG 1 1 8 2745 1 1 14 LEU N N 3.822 -0.401 1.484 1.00 . A A . 14 LEU N 1 1 8 2746 1 1 14 LEU O O 6.424 -2.374 0.038 1.00 . A A . 14 LEU O 1 1 8 2747 1 1 15 ALA C C 8.187 0.129 -0.238 1.00 . A A . 15 ALA C 1 1 8 2748 1 1 15 ALA CA C 6.983 0.046 -1.169 1.00 . A A . 15 ALA CA 1 1 8 2749 1 1 15 ALA CB C 6.821 1.329 -1.975 1.00 . A A . 15 ALA CB 1 1 8 2750 1 1 15 ALA H H 5.074 0.434 -0.332 1.00 . A A . 15 ALA H 1 1 8 2751 1 1 15 ALA HA H 7.150 -0.776 -1.848 1.00 . A A . 15 ALA HA 1 1 8 2752 1 1 15 ALA HB1 H 7.705 1.496 -2.572 1.00 . A A . 15 ALA HB1 1 1 8 2753 1 1 15 ALA HB2 H 6.680 2.162 -1.301 1.00 . A A . 15 ALA HB2 1 1 8 2754 1 1 15 ALA HB3 H 5.961 1.242 -2.623 1.00 . A A . 15 ALA HB3 1 1 8 2755 1 1 15 ALA N N 5.777 -0.260 -0.401 1.00 . A A . 15 ALA N 1 1 8 2756 1 1 15 ALA O O 9.323 -0.061 -0.653 1.00 . A A . 15 ALA O 1 1 8 2757 1 1 16 LYS C C 9.087 -0.951 2.672 1.00 . A A . 16 LYS C 1 1 8 2758 1 1 16 LYS CA C 8.956 0.438 2.026 1.00 . A A . 16 LYS CA 1 1 8 2759 1 1 16 LYS CB C 8.645 1.490 3.100 1.00 . A A . 16 LYS CB 1 1 8 2760 1 1 16 LYS CD C 9.374 2.620 5.259 1.00 . A A . 16 LYS CD 1 1 8 2761 1 1 16 LYS CE C 8.171 2.158 6.083 1.00 . A A . 16 LYS CE 1 1 8 2762 1 1 16 LYS CG C 9.737 1.624 4.160 1.00 . A A . 16 LYS CG 1 1 8 2763 1 1 16 LYS H H 6.993 0.604 1.262 1.00 . A A . 16 LYS H 1 1 8 2764 1 1 16 LYS HA H 9.888 0.690 1.541 1.00 . A A . 16 LYS HA 1 1 8 2765 1 1 16 LYS HB2 H 8.512 2.449 2.622 1.00 . A A . 16 LYS HB2 1 1 8 2766 1 1 16 LYS HB3 H 7.725 1.211 3.593 1.00 . A A . 16 LYS HB3 1 1 8 2767 1 1 16 LYS HD2 H 10.222 2.733 5.918 1.00 . A A . 16 LYS HD2 1 1 8 2768 1 1 16 LYS HD3 H 9.147 3.571 4.802 1.00 . A A . 16 LYS HD3 1 1 8 2769 1 1 16 LYS HE2 H 7.306 2.097 5.440 1.00 . A A . 16 LYS HE2 1 1 8 2770 1 1 16 LYS HE3 H 8.382 1.181 6.493 1.00 . A A . 16 LYS HE3 1 1 8 2771 1 1 16 LYS HG2 H 9.901 0.656 4.613 1.00 . A A . 16 LYS HG2 1 1 8 2772 1 1 16 LYS HG3 H 10.648 1.947 3.677 1.00 . A A . 16 LYS HG3 1 1 8 2773 1 1 16 LYS HZ1 H 7.630 4.039 6.831 1.00 . A A . 16 LYS HZ1 1 1 8 2774 1 1 16 LYS HZ2 H 8.682 3.193 7.825 1.00 . A A . 16 LYS HZ2 1 1 8 2775 1 1 16 LYS HZ3 H 7.067 2.743 7.759 1.00 . A A . 16 LYS HZ3 1 1 8 2776 1 1 16 LYS N N 7.923 0.411 1.020 1.00 . A A . 16 LYS N 1 1 8 2777 1 1 16 LYS NZ N 7.863 3.092 7.190 1.00 . A A . 16 LYS NZ 1 1 8 2778 1 1 16 LYS O O 10.175 -1.529 2.709 1.00 . A A . 16 LYS O 1 1 8 2779 1 1 17 ILE C C 8.434 -3.927 3.030 1.00 . A A . 17 ILE C 1 1 8 2780 1 1 17 ILE CA C 7.904 -2.763 3.874 1.00 . A A . 17 ILE CA 1 1 8 2781 1 1 17 ILE CB C 6.454 -3.090 4.365 1.00 . A A . 17 ILE CB 1 1 8 2782 1 1 17 ILE CD1 C 4.525 -2.209 5.807 1.00 . A A . 17 ILE CD1 1 1 8 2783 1 1 17 ILE CG1 C 5.956 -2.010 5.341 1.00 . A A . 17 ILE CG1 1 1 8 2784 1 1 17 ILE CG2 C 6.387 -4.474 5.023 1.00 . A A . 17 ILE CG2 1 1 8 2785 1 1 17 ILE H H 7.120 -0.975 3.027 1.00 . A A . 17 ILE H 1 1 8 2786 1 1 17 ILE HA H 8.539 -2.665 4.741 1.00 . A A . 17 ILE HA 1 1 8 2787 1 1 17 ILE HB H 5.806 -3.103 3.501 1.00 . A A . 17 ILE HB 1 1 8 2788 1 1 17 ILE HD11 H 4.263 -1.433 6.510 1.00 . A A . 17 ILE HD11 1 1 8 2789 1 1 17 ILE HD12 H 4.431 -3.176 6.280 1.00 . A A . 17 ILE HD12 1 1 8 2790 1 1 17 ILE HD13 H 3.862 -2.162 4.956 1.00 . A A . 17 ILE HD13 1 1 8 2791 1 1 17 ILE HG12 H 6.586 -2.009 6.217 1.00 . A A . 17 ILE HG12 1 1 8 2792 1 1 17 ILE HG13 H 6.019 -1.046 4.860 1.00 . A A . 17 ILE HG13 1 1 8 2793 1 1 17 ILE HG21 H 7.054 -4.501 5.872 1.00 . A A . 17 ILE HG21 1 1 8 2794 1 1 17 ILE HG22 H 6.686 -5.226 4.307 1.00 . A A . 17 ILE HG22 1 1 8 2795 1 1 17 ILE HG23 H 5.378 -4.669 5.350 1.00 . A A . 17 ILE HG23 1 1 8 2796 1 1 17 ILE N N 7.956 -1.477 3.152 1.00 . A A . 17 ILE N 1 1 8 2797 1 1 17 ILE O O 9.270 -4.715 3.488 1.00 . A A . 17 ILE O 1 1 8 2798 1 1 18 PHE C C 9.560 -4.657 0.134 1.00 . A A . 18 PHE C 1 1 8 2799 1 1 18 PHE CA C 8.372 -5.112 0.965 1.00 . A A . 18 PHE CA 1 1 8 2800 1 1 18 PHE CB C 7.185 -5.503 0.069 1.00 . A A . 18 PHE CB 1 1 8 2801 1 1 18 PHE CD1 C 6.889 -7.970 -0.188 1.00 . A A . 18 PHE CD1 1 1 8 2802 1 1 18 PHE CD2 C 7.984 -6.788 -1.933 1.00 . A A . 18 PHE CD2 1 1 8 2803 1 1 18 PHE CE1 C 7.034 -9.144 -0.887 1.00 . A A . 18 PHE CE1 1 1 8 2804 1 1 18 PHE CE2 C 8.135 -7.961 -2.635 1.00 . A A . 18 PHE CE2 1 1 8 2805 1 1 18 PHE CG C 7.361 -6.778 -0.701 1.00 . A A . 18 PHE CG 1 1 8 2806 1 1 18 PHE CZ C 7.659 -9.140 -2.113 1.00 . A A . 18 PHE CZ 1 1 8 2807 1 1 18 PHE H H 7.389 -3.340 1.444 1.00 . A A . 18 PHE H 1 1 8 2808 1 1 18 PHE HA H 8.655 -5.954 1.578 1.00 . A A . 18 PHE HA 1 1 8 2809 1 1 18 PHE HB2 H 6.305 -5.615 0.684 1.00 . A A . 18 PHE HB2 1 1 8 2810 1 1 18 PHE HB3 H 7.012 -4.706 -0.638 1.00 . A A . 18 PHE HB3 1 1 8 2811 1 1 18 PHE HD1 H 6.400 -7.980 0.776 1.00 . A A . 18 PHE HD1 1 1 8 2812 1 1 18 PHE HD2 H 8.360 -5.866 -2.349 1.00 . A A . 18 PHE HD2 1 1 8 2813 1 1 18 PHE HE1 H 6.660 -10.067 -0.474 1.00 . A A . 18 PHE HE1 1 1 8 2814 1 1 18 PHE HE2 H 8.628 -7.952 -3.594 1.00 . A A . 18 PHE HE2 1 1 8 2815 1 1 18 PHE HZ H 7.773 -10.062 -2.661 1.00 . A A . 18 PHE HZ 1 1 8 2816 1 1 18 PHE N N 7.981 -4.028 1.818 1.00 . A A . 18 PHE N 1 1 8 2817 1 1 18 PHE O O 9.511 -3.599 -0.498 1.00 . A A . 18 PHE O 1 1 8 2818 1 1 19 LYS C C 12.092 -6.151 -1.623 1.00 . A A . 19 LYS C 1 1 8 2819 1 1 19 LYS CA C 11.798 -5.078 -0.580 1.00 . A A . 19 LYS CA 1 1 8 2820 1 1 19 LYS CB C 13.022 -4.785 0.345 1.00 . A A . 19 LYS CB 1 1 8 2821 1 1 19 LYS CD C 12.436 -5.832 2.629 1.00 . A A . 19 LYS CD 1 1 8 2822 1 1 19 LYS CE C 12.627 -4.573 3.471 1.00 . A A . 19 LYS CE 1 1 8 2823 1 1 19 LYS CG C 13.357 -5.856 1.403 1.00 . A A . 19 LYS CG 1 1 8 2824 1 1 19 LYS H H 10.642 -6.256 0.655 1.00 . A A . 19 LYS H 1 1 8 2825 1 1 19 LYS HA H 11.557 -4.177 -1.124 1.00 . A A . 19 LYS HA 1 1 8 2826 1 1 19 LYS HB2 H 13.893 -4.667 -0.281 1.00 . A A . 19 LYS HB2 1 1 8 2827 1 1 19 LYS HB3 H 12.845 -3.848 0.852 1.00 . A A . 19 LYS HB3 1 1 8 2828 1 1 19 LYS HD2 H 11.409 -5.870 2.300 1.00 . A A . 19 LYS HD2 1 1 8 2829 1 1 19 LYS HD3 H 12.648 -6.697 3.239 1.00 . A A . 19 LYS HD3 1 1 8 2830 1 1 19 LYS HE2 H 13.656 -4.517 3.793 1.00 . A A . 19 LYS HE2 1 1 8 2831 1 1 19 LYS HE3 H 12.393 -3.705 2.870 1.00 . A A . 19 LYS HE3 1 1 8 2832 1 1 19 LYS HG2 H 13.262 -6.827 0.941 1.00 . A A . 19 LYS HG2 1 1 8 2833 1 1 19 LYS HG3 H 14.375 -5.716 1.723 1.00 . A A . 19 LYS HG3 1 1 8 2834 1 1 19 LYS HZ1 H 11.901 -3.743 5.264 1.00 . A A . 19 LYS HZ1 1 1 8 2835 1 1 19 LYS HZ2 H 11.885 -5.422 5.255 1.00 . A A . 19 LYS HZ2 1 1 8 2836 1 1 19 LYS HZ3 H 10.750 -4.572 4.381 1.00 . A A . 19 LYS HZ3 1 1 8 2837 1 1 19 LYS N N 10.620 -5.409 0.157 1.00 . A A . 19 LYS N 1 1 8 2838 1 1 19 LYS NZ N 11.753 -4.578 4.663 1.00 . A A . 19 LYS NZ 1 1 8 2839 1 1 19 LYS O O 12.779 -7.148 -1.320 1.00 . A A . 19 LYS O 1 1 8 2840 1 1 19 LYS OXT O 11.618 -6.010 -2.777 1.00 . A A . 19 LYS OXT 1 1 9 2841 1 1 1 PRO C C -11.437 2.270 8.014 1.00 . A A . 1 PRO C 1 1 9 2842 1 1 1 PRO CA C -11.775 3.538 7.260 1.00 . A A . 1 PRO CA 1 1 9 2843 1 1 1 PRO CB C -12.584 3.244 6.012 1.00 . A A . 1 PRO CB 1 1 9 2844 1 1 1 PRO CD C -10.568 4.354 5.367 1.00 . A A . 1 PRO CD 1 1 9 2845 1 1 1 PRO CG C -12.032 4.211 5.017 1.00 . A A . 1 PRO CG 1 1 9 2846 1 1 1 PRO H2 H -10.083 4.460 7.773 1.00 . A A . 1 PRO H2 1 1 9 2847 1 1 1 PRO H3 H -10.727 5.146 6.432 1.00 . A A . 1 PRO H3 1 1 9 2848 1 1 1 PRO HA H -12.352 4.175 7.913 1.00 . A A . 1 PRO HA 1 1 9 2849 1 1 1 PRO HB2 H -12.422 2.219 5.714 1.00 . A A . 1 PRO HB2 1 1 9 2850 1 1 1 PRO HB3 H -13.633 3.422 6.195 1.00 . A A . 1 PRO HB3 1 1 9 2851 1 1 1 PRO HD2 H -10.061 3.549 4.850 1.00 . A A . 1 PRO HD2 1 1 9 2852 1 1 1 PRO HD3 H -10.169 5.293 5.004 1.00 . A A . 1 PRO HD3 1 1 9 2853 1 1 1 PRO HG2 H -12.145 3.816 4.017 1.00 . A A . 1 PRO HG2 1 1 9 2854 1 1 1 PRO HG3 H -12.533 5.163 5.104 1.00 . A A . 1 PRO HG3 1 1 9 2855 1 1 1 PRO N N -10.563 4.228 6.878 1.00 . A A . 1 PRO N 1 1 9 2856 1 1 1 PRO O O -10.267 1.910 8.121 1.00 . A A . 1 PRO O 1 1 9 2857 1 1 2 MET C C -11.943 -0.843 8.541 1.00 . A A . 2 MET C 1 1 9 2858 1 1 2 MET CA C -12.268 0.412 9.346 1.00 . A A . 2 MET CA 1 1 9 2859 1 1 2 MET CB C -13.494 0.168 10.266 1.00 . A A . 2 MET CB 1 1 9 2860 1 1 2 MET CE C -15.741 2.541 9.938 1.00 . A A . 2 MET CE 1 1 9 2861 1 1 2 MET CG C -14.834 -0.077 9.549 1.00 . A A . 2 MET CG 1 1 9 2862 1 1 2 MET H H -13.374 1.875 8.324 1.00 . A A . 2 MET H 1 1 9 2863 1 1 2 MET HA H -11.418 0.617 9.980 1.00 . A A . 2 MET HA 1 1 9 2864 1 1 2 MET HB2 H -13.289 -0.703 10.870 1.00 . A A . 2 MET HB2 1 1 9 2865 1 1 2 MET HB3 H -13.608 1.019 10.922 1.00 . A A . 2 MET HB3 1 1 9 2866 1 1 2 MET HE1 H -14.816 2.751 10.451 1.00 . A A . 2 MET HE1 1 1 9 2867 1 1 2 MET HE2 H -16.453 2.127 10.636 1.00 . A A . 2 MET HE2 1 1 9 2868 1 1 2 MET HE3 H -16.136 3.455 9.520 1.00 . A A . 2 MET HE3 1 1 9 2869 1 1 2 MET HG2 H -14.708 -0.897 8.857 1.00 . A A . 2 MET HG2 1 1 9 2870 1 1 2 MET HG3 H -15.575 -0.349 10.287 1.00 . A A . 2 MET HG3 1 1 9 2871 1 1 2 MET N N -12.451 1.589 8.510 1.00 . A A . 2 MET N 1 1 9 2872 1 1 2 MET O O -11.150 -1.672 8.977 1.00 . A A . 2 MET O 1 1 9 2873 1 1 2 MET SD S -15.444 1.357 8.615 1.00 . A A . 2 MET SD 1 1 9 2874 1 1 3 ALA C C -11.568 -1.832 5.304 1.00 . A A . 3 ALA C 1 1 9 2875 1 1 3 ALA CA C -12.309 -2.166 6.575 1.00 . A A . 3 ALA CA 1 1 9 2876 1 1 3 ALA CB C -13.622 -2.842 6.263 1.00 . A A . 3 ALA CB 1 1 9 2877 1 1 3 ALA H H -13.130 -0.275 7.043 1.00 . A A . 3 ALA H 1 1 9 2878 1 1 3 ALA HA H -11.710 -2.848 7.160 1.00 . A A . 3 ALA HA 1 1 9 2879 1 1 3 ALA HB1 H -13.433 -3.766 5.738 1.00 . A A . 3 ALA HB1 1 1 9 2880 1 1 3 ALA HB2 H -14.217 -2.192 5.637 1.00 . A A . 3 ALA HB2 1 1 9 2881 1 1 3 ALA HB3 H -14.152 -3.044 7.179 1.00 . A A . 3 ALA HB3 1 1 9 2882 1 1 3 ALA N N -12.533 -0.978 7.375 1.00 . A A . 3 ALA N 1 1 9 2883 1 1 3 ALA O O -10.493 -2.373 5.035 1.00 . A A . 3 ALA O 1 1 9 2884 1 1 4 ARG C C -10.348 0.377 3.529 1.00 . A A . 4 ARG C 1 1 9 2885 1 1 4 ARG CA C -11.526 -0.526 3.286 1.00 . A A . 4 ARG CA 1 1 9 2886 1 1 4 ARG CB C -12.538 0.128 2.338 1.00 . A A . 4 ARG CB 1 1 9 2887 1 1 4 ARG CD C -13.889 -2.016 2.016 1.00 . A A . 4 ARG CD 1 1 9 2888 1 1 4 ARG CG C -13.212 -0.832 1.345 1.00 . A A . 4 ARG CG 1 1 9 2889 1 1 4 ARG CZ C -15.789 -2.464 3.555 1.00 . A A . 4 ARG CZ 1 1 9 2890 1 1 4 ARG H H -12.991 -0.555 4.799 1.00 . A A . 4 ARG H 1 1 9 2891 1 1 4 ARG HA H -11.156 -1.424 2.814 1.00 . A A . 4 ARG HA 1 1 9 2892 1 1 4 ARG HB2 H -13.303 0.579 2.948 1.00 . A A . 4 ARG HB2 1 1 9 2893 1 1 4 ARG HB3 H -12.041 0.908 1.780 1.00 . A A . 4 ARG HB3 1 1 9 2894 1 1 4 ARG HD2 H -14.261 -2.686 1.257 1.00 . A A . 4 ARG HD2 1 1 9 2895 1 1 4 ARG HD3 H -13.155 -2.536 2.614 1.00 . A A . 4 ARG HD3 1 1 9 2896 1 1 4 ARG HE H -15.158 -0.647 2.940 1.00 . A A . 4 ARG HE 1 1 9 2897 1 1 4 ARG HG2 H -13.962 -0.287 0.793 1.00 . A A . 4 ARG HG2 1 1 9 2898 1 1 4 ARG HG3 H -12.468 -1.194 0.651 1.00 . A A . 4 ARG HG3 1 1 9 2899 1 1 4 ARG HH11 H -14.886 -4.193 2.887 1.00 . A A . 4 ARG HH11 1 1 9 2900 1 1 4 ARG HH12 H -16.200 -4.428 3.954 1.00 . A A . 4 ARG HH12 1 1 9 2901 1 1 4 ARG HH21 H -16.941 -1.002 4.413 1.00 . A A . 4 ARG HH21 1 1 9 2902 1 1 4 ARG HH22 H -17.380 -2.602 4.826 1.00 . A A . 4 ARG HH22 1 1 9 2903 1 1 4 ARG N N -12.134 -0.947 4.525 1.00 . A A . 4 ARG N 1 1 9 2904 1 1 4 ARG NE N -14.999 -1.618 2.882 1.00 . A A . 4 ARG NE 1 1 9 2905 1 1 4 ARG NH1 N -15.606 -3.788 3.456 1.00 . A A . 4 ARG NH1 1 1 9 2906 1 1 4 ARG NH2 N -16.769 -1.988 4.320 1.00 . A A . 4 ARG NH2 1 1 9 2907 1 1 4 ARG O O -10.462 1.417 4.178 1.00 . A A . 4 ARG O 1 1 9 2908 1 1 5 ASN C C -7.596 0.985 1.711 1.00 . A A . 5 ASN C 1 1 9 2909 1 1 5 ASN CA C -7.999 0.687 3.125 1.00 . A A . 5 ASN CA 1 1 9 2910 1 1 5 ASN CB C -6.888 -0.113 3.830 1.00 . A A . 5 ASN CB 1 1 9 2911 1 1 5 ASN CG C -5.578 0.669 3.973 1.00 . A A . 5 ASN CG 1 1 9 2912 1 1 5 ASN H H -9.236 -0.939 2.619 1.00 . A A . 5 ASN H 1 1 9 2913 1 1 5 ASN HA H -8.190 1.607 3.657 1.00 . A A . 5 ASN HA 1 1 9 2914 1 1 5 ASN HB2 H -7.225 -0.386 4.819 1.00 . A A . 5 ASN HB2 1 1 9 2915 1 1 5 ASN HB3 H -6.690 -1.010 3.263 1.00 . A A . 5 ASN HB3 1 1 9 2916 1 1 5 ASN HD21 H -4.530 -1.005 3.875 1.00 . A A . 5 ASN HD21 1 1 9 2917 1 1 5 ASN HD22 H -3.619 0.452 4.072 1.00 . A A . 5 ASN HD22 1 1 9 2918 1 1 5 ASN N N -9.230 -0.061 3.058 1.00 . A A . 5 ASN N 1 1 9 2919 1 1 5 ASN ND2 N -4.467 -0.029 3.969 1.00 . A A . 5 ASN ND2 1 1 9 2920 1 1 5 ASN O O -7.587 0.077 0.868 1.00 . A A . 5 ASN O 1 1 9 2921 1 1 5 ASN OD1 O -5.573 1.892 4.090 1.00 . A A . 5 ASN OD1 1 1 9 2922 1 1 6 LYS C C -5.632 2.105 -0.363 1.00 . A A . 6 LYS C 1 1 9 2923 1 1 6 LYS CA C -6.981 2.674 0.103 1.00 . A A . 6 LYS CA 1 1 9 2924 1 1 6 LYS CB C -6.961 4.205 0.067 1.00 . A A . 6 LYS CB 1 1 9 2925 1 1 6 LYS CD C -8.220 6.361 0.509 1.00 . A A . 6 LYS CD 1 1 9 2926 1 1 6 LYS CE C -7.949 6.952 -0.861 1.00 . A A . 6 LYS CE 1 1 9 2927 1 1 6 LYS CG C -8.293 4.842 0.466 1.00 . A A . 6 LYS CG 1 1 9 2928 1 1 6 LYS H H -7.326 2.871 2.175 1.00 . A A . 6 LYS H 1 1 9 2929 1 1 6 LYS HA H -7.757 2.329 -0.562 1.00 . A A . 6 LYS HA 1 1 9 2930 1 1 6 LYS HB2 H -6.196 4.558 0.744 1.00 . A A . 6 LYS HB2 1 1 9 2931 1 1 6 LYS HB3 H -6.717 4.520 -0.936 1.00 . A A . 6 LYS HB3 1 1 9 2932 1 1 6 LYS HD2 H -9.160 6.749 0.873 1.00 . A A . 6 LYS HD2 1 1 9 2933 1 1 6 LYS HD3 H -7.429 6.655 1.182 1.00 . A A . 6 LYS HD3 1 1 9 2934 1 1 6 LYS HE2 H -7.004 6.578 -1.227 1.00 . A A . 6 LYS HE2 1 1 9 2935 1 1 6 LYS HE3 H -8.739 6.644 -1.530 1.00 . A A . 6 LYS HE3 1 1 9 2936 1 1 6 LYS HG2 H -9.042 4.557 -0.258 1.00 . A A . 6 LYS HG2 1 1 9 2937 1 1 6 LYS HG3 H -8.585 4.473 1.438 1.00 . A A . 6 LYS HG3 1 1 9 2938 1 1 6 LYS HZ1 H -8.762 8.835 -0.434 1.00 . A A . 6 LYS HZ1 1 1 9 2939 1 1 6 LYS HZ2 H -7.806 8.789 -1.796 1.00 . A A . 6 LYS HZ2 1 1 9 2940 1 1 6 LYS HZ3 H -7.078 8.771 -0.279 1.00 . A A . 6 LYS HZ3 1 1 9 2941 1 1 6 LYS N N -7.315 2.222 1.437 1.00 . A A . 6 LYS N 1 1 9 2942 1 1 6 LYS NZ N -7.891 8.426 -0.825 1.00 . A A . 6 LYS NZ 1 1 9 2943 1 1 6 LYS O O -4.588 2.400 0.232 1.00 . A A . 6 LYS O 1 1 9 2944 1 1 7 PRO C C -3.371 1.718 -2.352 1.00 . A A . 7 PRO C 1 1 9 2945 1 1 7 PRO CA C -4.424 0.677 -2.008 1.00 . A A . 7 PRO CA 1 1 9 2946 1 1 7 PRO CB C -4.927 0.011 -3.275 1.00 . A A . 7 PRO CB 1 1 9 2947 1 1 7 PRO CD C -6.847 0.770 -2.118 1.00 . A A . 7 PRO CD 1 1 9 2948 1 1 7 PRO CG C -6.320 -0.348 -2.961 1.00 . A A . 7 PRO CG 1 1 9 2949 1 1 7 PRO HA H -3.998 -0.067 -1.353 1.00 . A A . 7 PRO HA 1 1 9 2950 1 1 7 PRO HB2 H -4.870 0.708 -4.098 1.00 . A A . 7 PRO HB2 1 1 9 2951 1 1 7 PRO HB3 H -4.331 -0.863 -3.488 1.00 . A A . 7 PRO HB3 1 1 9 2952 1 1 7 PRO HD2 H -7.306 1.534 -2.724 1.00 . A A . 7 PRO HD2 1 1 9 2953 1 1 7 PRO HD3 H -7.554 0.381 -1.401 1.00 . A A . 7 PRO HD3 1 1 9 2954 1 1 7 PRO HG2 H -6.885 -0.430 -3.876 1.00 . A A . 7 PRO HG2 1 1 9 2955 1 1 7 PRO HG3 H -6.346 -1.278 -2.414 1.00 . A A . 7 PRO HG3 1 1 9 2956 1 1 7 PRO N N -5.640 1.267 -1.427 1.00 . A A . 7 PRO N 1 1 9 2957 1 1 7 PRO O O -2.177 1.426 -2.305 1.00 . A A . 7 PRO O 1 1 9 2958 1 1 8 LYS C C -1.912 4.255 -1.870 1.00 . A A . 8 LYS C 1 1 9 2959 1 1 8 LYS CA C -2.936 4.044 -2.983 1.00 . A A . 8 LYS CA 1 1 9 2960 1 1 8 LYS CB C -3.723 5.339 -3.236 1.00 . A A . 8 LYS CB 1 1 9 2961 1 1 8 LYS CD C -3.669 7.776 -3.902 1.00 . A A . 8 LYS CD 1 1 9 2962 1 1 8 LYS CE C -2.793 8.943 -4.356 1.00 . A A . 8 LYS CE 1 1 9 2963 1 1 8 LYS CG C -2.848 6.521 -3.648 1.00 . A A . 8 LYS CG 1 1 9 2964 1 1 8 LYS H H -4.795 3.069 -2.717 1.00 . A A . 8 LYS H 1 1 9 2965 1 1 8 LYS HA H -2.402 3.782 -3.883 1.00 . A A . 8 LYS HA 1 1 9 2966 1 1 8 LYS HB2 H -4.441 5.160 -4.024 1.00 . A A . 8 LYS HB2 1 1 9 2967 1 1 8 LYS HB3 H -4.253 5.605 -2.334 1.00 . A A . 8 LYS HB3 1 1 9 2968 1 1 8 LYS HD2 H -4.398 7.566 -4.669 1.00 . A A . 8 LYS HD2 1 1 9 2969 1 1 8 LYS HD3 H -4.181 8.052 -2.993 1.00 . A A . 8 LYS HD3 1 1 9 2970 1 1 8 LYS HE2 H -2.290 8.671 -5.271 1.00 . A A . 8 LYS HE2 1 1 9 2971 1 1 8 LYS HE3 H -3.430 9.794 -4.545 1.00 . A A . 8 LYS HE3 1 1 9 2972 1 1 8 LYS HG2 H -2.142 6.723 -2.857 1.00 . A A . 8 LYS HG2 1 1 9 2973 1 1 8 LYS HG3 H -2.310 6.261 -4.549 1.00 . A A . 8 LYS HG3 1 1 9 2974 1 1 8 LYS HZ1 H -1.226 10.132 -3.692 1.00 . A A . 8 LYS HZ1 1 1 9 2975 1 1 8 LYS HZ2 H -1.103 8.540 -3.189 1.00 . A A . 8 LYS HZ2 1 1 9 2976 1 1 8 LYS HZ3 H -2.215 9.591 -2.448 1.00 . A A . 8 LYS HZ3 1 1 9 2977 1 1 8 LYS N N -3.823 2.938 -2.669 1.00 . A A . 8 LYS N 1 1 9 2978 1 1 8 LYS NZ N -1.774 9.316 -3.349 1.00 . A A . 8 LYS NZ 1 1 9 2979 1 1 8 LYS O O -0.726 4.419 -2.143 1.00 . A A . 8 LYS O 1 1 9 2980 1 1 9 ILE C C -0.826 3.046 0.884 1.00 . A A . 9 ILE C 1 1 9 2981 1 1 9 ILE CA C -1.443 4.387 0.470 1.00 . A A . 9 ILE CA 1 1 9 2982 1 1 9 ILE CB C -2.088 5.132 1.692 1.00 . A A . 9 ILE CB 1 1 9 2983 1 1 9 ILE CD1 C -1.538 6.211 3.953 1.00 . A A . 9 ILE CD1 1 1 9 2984 1 1 9 ILE CG1 C -1.024 5.427 2.766 1.00 . A A . 9 ILE CG1 1 1 9 2985 1 1 9 ILE CG2 C -3.259 4.349 2.288 1.00 . A A . 9 ILE CG2 1 1 9 2986 1 1 9 ILE H H -3.301 4.003 -0.454 1.00 . A A . 9 ILE H 1 1 9 2987 1 1 9 ILE HA H -0.637 4.992 0.080 1.00 . A A . 9 ILE HA 1 1 9 2988 1 1 9 ILE HB H -2.484 6.071 1.337 1.00 . A A . 9 ILE HB 1 1 9 2989 1 1 9 ILE HD11 H -2.333 5.658 4.433 1.00 . A A . 9 ILE HD11 1 1 9 2990 1 1 9 ILE HD12 H -1.915 7.167 3.619 1.00 . A A . 9 ILE HD12 1 1 9 2991 1 1 9 ILE HD13 H -0.733 6.366 4.656 1.00 . A A . 9 ILE HD13 1 1 9 2992 1 1 9 ILE HG12 H -0.633 4.492 3.138 1.00 . A A . 9 ILE HG12 1 1 9 2993 1 1 9 ILE HG13 H -0.219 5.990 2.315 1.00 . A A . 9 ILE HG13 1 1 9 2994 1 1 9 ILE HG21 H -3.665 4.892 3.130 1.00 . A A . 9 ILE HG21 1 1 9 2995 1 1 9 ILE HG22 H -2.914 3.381 2.618 1.00 . A A . 9 ILE HG22 1 1 9 2996 1 1 9 ILE HG23 H -4.026 4.219 1.539 1.00 . A A . 9 ILE HG23 1 1 9 2997 1 1 9 ILE N N -2.357 4.199 -0.629 1.00 . A A . 9 ILE N 1 1 9 2998 1 1 9 ILE O O 0.359 2.976 1.192 1.00 . A A . 9 ILE O 1 1 9 2999 1 1 10 LEU C C 0.045 0.183 0.383 1.00 . A A . 10 LEU C 1 1 9 3000 1 1 10 LEU CA C -1.152 0.642 1.214 1.00 . A A . 10 LEU CA 1 1 9 3001 1 1 10 LEU CB C -2.274 -0.395 1.132 1.00 . A A . 10 LEU CB 1 1 9 3002 1 1 10 LEU CD1 C -1.490 -1.881 3.024 1.00 . A A . 10 LEU CD1 1 1 9 3003 1 1 10 LEU CD2 C -3.014 -2.795 1.259 1.00 . A A . 10 LEU CD2 1 1 9 3004 1 1 10 LEU CG C -1.891 -1.823 1.553 1.00 . A A . 10 LEU CG 1 1 9 3005 1 1 10 LEU H H -2.536 2.076 0.478 1.00 . A A . 10 LEU H 1 1 9 3006 1 1 10 LEU HA H -0.835 0.725 2.243 1.00 . A A . 10 LEU HA 1 1 9 3007 1 1 10 LEU HB2 H -3.092 -0.063 1.755 1.00 . A A . 10 LEU HB2 1 1 9 3008 1 1 10 LEU HB3 H -2.615 -0.432 0.108 1.00 . A A . 10 LEU HB3 1 1 9 3009 1 1 10 LEU HD11 H -0.630 -1.248 3.191 1.00 . A A . 10 LEU HD11 1 1 9 3010 1 1 10 LEU HD12 H -1.243 -2.899 3.289 1.00 . A A . 10 LEU HD12 1 1 9 3011 1 1 10 LEU HD13 H -2.314 -1.539 3.634 1.00 . A A . 10 LEU HD13 1 1 9 3012 1 1 10 LEU HD21 H -3.898 -2.496 1.802 1.00 . A A . 10 LEU HD21 1 1 9 3013 1 1 10 LEU HD22 H -2.720 -3.788 1.568 1.00 . A A . 10 LEU HD22 1 1 9 3014 1 1 10 LEU HD23 H -3.225 -2.795 0.200 1.00 . A A . 10 LEU HD23 1 1 9 3015 1 1 10 LEU HG H -1.028 -2.116 0.973 1.00 . A A . 10 LEU HG 1 1 9 3016 1 1 10 LEU N N -1.617 1.969 0.807 1.00 . A A . 10 LEU N 1 1 9 3017 1 1 10 LEU O O 1.037 -0.282 0.930 1.00 . A A . 10 LEU O 1 1 9 3018 1 1 11 LYS C C 2.289 0.771 -1.571 1.00 . A A . 11 LYS C 1 1 9 3019 1 1 11 LYS CA C 1.051 -0.058 -1.812 1.00 . A A . 11 LYS CA 1 1 9 3020 1 1 11 LYS CB C 0.636 -0.023 -3.289 1.00 . A A . 11 LYS CB 1 1 9 3021 1 1 11 LYS CD C 0.249 -2.498 -3.539 1.00 . A A . 11 LYS CD 1 1 9 3022 1 1 11 LYS CE C -0.744 -3.582 -3.912 1.00 . A A . 11 LYS CE 1 1 9 3023 1 1 11 LYS CG C -0.362 -1.106 -3.681 1.00 . A A . 11 LYS CG 1 1 9 3024 1 1 11 LYS H H -0.846 0.751 -1.317 1.00 . A A . 11 LYS H 1 1 9 3025 1 1 11 LYS HA H 1.300 -1.075 -1.546 1.00 . A A . 11 LYS HA 1 1 9 3026 1 1 11 LYS HB2 H 0.192 0.939 -3.501 1.00 . A A . 11 LYS HB2 1 1 9 3027 1 1 11 LYS HB3 H 1.519 -0.141 -3.898 1.00 . A A . 11 LYS HB3 1 1 9 3028 1 1 11 LYS HD2 H 1.106 -2.577 -4.190 1.00 . A A . 11 LYS HD2 1 1 9 3029 1 1 11 LYS HD3 H 0.560 -2.652 -2.517 1.00 . A A . 11 LYS HD3 1 1 9 3030 1 1 11 LYS HE2 H -1.594 -3.513 -3.251 1.00 . A A . 11 LYS HE2 1 1 9 3031 1 1 11 LYS HE3 H -1.065 -3.418 -4.929 1.00 . A A . 11 LYS HE3 1 1 9 3032 1 1 11 LYS HG2 H -1.225 -1.036 -3.036 1.00 . A A . 11 LYS HG2 1 1 9 3033 1 1 11 LYS HG3 H -0.662 -0.956 -4.707 1.00 . A A . 11 LYS HG3 1 1 9 3034 1 1 11 LYS HZ1 H 0.629 -5.048 -4.472 1.00 . A A . 11 LYS HZ1 1 1 9 3035 1 1 11 LYS HZ2 H -0.862 -5.671 -3.990 1.00 . A A . 11 LYS HZ2 1 1 9 3036 1 1 11 LYS HZ3 H 0.218 -5.103 -2.845 1.00 . A A . 11 LYS HZ3 1 1 9 3037 1 1 11 LYS N N -0.038 0.345 -0.928 1.00 . A A . 11 LYS N 1 1 9 3038 1 1 11 LYS NZ N -0.156 -4.932 -3.801 1.00 . A A . 11 LYS NZ 1 1 9 3039 1 1 11 LYS O O 3.398 0.283 -1.705 1.00 . A A . 11 LYS O 1 1 9 3040 1 1 12 ARG C C 3.887 2.392 0.420 1.00 . A A . 12 ARG C 1 1 9 3041 1 1 12 ARG CA C 3.208 2.868 -0.857 1.00 . A A . 12 ARG CA 1 1 9 3042 1 1 12 ARG CB C 2.754 4.317 -0.764 1.00 . A A . 12 ARG CB 1 1 9 3043 1 1 12 ARG CD C 3.194 4.721 -3.231 1.00 . A A . 12 ARG CD 1 1 9 3044 1 1 12 ARG CG C 3.392 5.234 -1.802 1.00 . A A . 12 ARG CG 1 1 9 3045 1 1 12 ARG CZ C 1.346 3.840 -4.664 1.00 . A A . 12 ARG CZ 1 1 9 3046 1 1 12 ARG H H 1.181 2.339 -1.061 1.00 . A A . 12 ARG H 1 1 9 3047 1 1 12 ARG HA H 3.923 2.766 -1.659 1.00 . A A . 12 ARG HA 1 1 9 3048 1 1 12 ARG HB2 H 1.683 4.350 -0.901 1.00 . A A . 12 ARG HB2 1 1 9 3049 1 1 12 ARG HB3 H 2.991 4.698 0.218 1.00 . A A . 12 ARG HB3 1 1 9 3050 1 1 12 ARG HD2 H 3.593 5.466 -3.903 1.00 . A A . 12 ARG HD2 1 1 9 3051 1 1 12 ARG HD3 H 3.740 3.799 -3.368 1.00 . A A . 12 ARG HD3 1 1 9 3052 1 1 12 ARG HE H 1.131 4.888 -2.944 1.00 . A A . 12 ARG HE 1 1 9 3053 1 1 12 ARG HG2 H 2.956 6.219 -1.724 1.00 . A A . 12 ARG HG2 1 1 9 3054 1 1 12 ARG HG3 H 4.450 5.295 -1.594 1.00 . A A . 12 ARG HG3 1 1 9 3055 1 1 12 ARG HH11 H 3.199 3.362 -5.386 1.00 . A A . 12 ARG HH11 1 1 9 3056 1 1 12 ARG HH12 H 1.917 2.804 -6.338 1.00 . A A . 12 ARG HH12 1 1 9 3057 1 1 12 ARG HH21 H -0.605 4.115 -4.233 1.00 . A A . 12 ARG HH21 1 1 9 3058 1 1 12 ARG HH22 H -0.327 3.246 -5.684 1.00 . A A . 12 ARG HH22 1 1 9 3059 1 1 12 ARG N N 2.097 2.005 -1.166 1.00 . A A . 12 ARG N 1 1 9 3060 1 1 12 ARG NE N 1.780 4.502 -3.577 1.00 . A A . 12 ARG NE 1 1 9 3061 1 1 12 ARG NH1 N 2.206 3.300 -5.515 1.00 . A A . 12 ARG NH1 1 1 9 3062 1 1 12 ARG NH2 N 0.047 3.718 -4.880 1.00 . A A . 12 ARG NH2 1 1 9 3063 1 1 12 ARG O O 5.107 2.238 0.454 1.00 . A A . 12 ARG O 1 1 9 3064 1 1 13 ILE C C 4.347 0.209 2.398 1.00 . A A . 13 ILE C 1 1 9 3065 1 1 13 ILE CA C 3.589 1.513 2.692 1.00 . A A . 13 ILE CA 1 1 9 3066 1 1 13 ILE CB C 2.423 1.233 3.698 1.00 . A A . 13 ILE CB 1 1 9 3067 1 1 13 ILE CD1 C 0.458 2.348 4.918 1.00 . A A . 13 ILE CD1 1 1 9 3068 1 1 13 ILE CG1 C 1.676 2.535 4.032 1.00 . A A . 13 ILE CG1 1 1 9 3069 1 1 13 ILE CG2 C 2.948 0.576 4.978 1.00 . A A . 13 ILE CG2 1 1 9 3070 1 1 13 ILE H H 2.117 2.235 1.338 1.00 . A A . 13 ILE H 1 1 9 3071 1 1 13 ILE HA H 4.274 2.227 3.126 1.00 . A A . 13 ILE HA 1 1 9 3072 1 1 13 ILE HB H 1.734 0.547 3.226 1.00 . A A . 13 ILE HB 1 1 9 3073 1 1 13 ILE HD11 H 0.760 1.899 5.852 1.00 . A A . 13 ILE HD11 1 1 9 3074 1 1 13 ILE HD12 H -0.254 1.705 4.423 1.00 . A A . 13 ILE HD12 1 1 9 3075 1 1 13 ILE HD13 H 0.003 3.309 5.112 1.00 . A A . 13 ILE HD13 1 1 9 3076 1 1 13 ILE HG12 H 2.348 3.207 4.543 1.00 . A A . 13 ILE HG12 1 1 9 3077 1 1 13 ILE HG13 H 1.350 2.997 3.111 1.00 . A A . 13 ILE HG13 1 1 9 3078 1 1 13 ILE HG21 H 3.661 1.232 5.456 1.00 . A A . 13 ILE HG21 1 1 9 3079 1 1 13 ILE HG22 H 3.427 -0.360 4.733 1.00 . A A . 13 ILE HG22 1 1 9 3080 1 1 13 ILE HG23 H 2.123 0.391 5.650 1.00 . A A . 13 ILE HG23 1 1 9 3081 1 1 13 ILE N N 3.083 2.072 1.434 1.00 . A A . 13 ILE N 1 1 9 3082 1 1 13 ILE O O 5.404 -0.071 2.974 1.00 . A A . 13 ILE O 1 1 9 3083 1 1 14 LEU C C 5.673 -1.537 0.157 1.00 . A A . 14 LEU C 1 1 9 3084 1 1 14 LEU CA C 4.448 -1.787 1.047 1.00 . A A . 14 LEU CA 1 1 9 3085 1 1 14 LEU CB C 3.433 -2.696 0.350 1.00 . A A . 14 LEU CB 1 1 9 3086 1 1 14 LEU CD1 C 1.263 -3.958 0.392 1.00 . A A . 14 LEU CD1 1 1 9 3087 1 1 14 LEU CD2 C 2.714 -3.948 2.422 1.00 . A A . 14 LEU CD2 1 1 9 3088 1 1 14 LEU CG C 2.241 -3.146 1.213 1.00 . A A . 14 LEU CG 1 1 9 3089 1 1 14 LEU H H 2.983 -0.263 1.048 1.00 . A A . 14 LEU H 1 1 9 3090 1 1 14 LEU HA H 4.791 -2.280 1.944 1.00 . A A . 14 LEU HA 1 1 9 3091 1 1 14 LEU HB2 H 3.048 -2.171 -0.512 1.00 . A A . 14 LEU HB2 1 1 9 3092 1 1 14 LEU HB3 H 3.951 -3.579 0.009 1.00 . A A . 14 LEU HB3 1 1 9 3093 1 1 14 LEU HD11 H 1.758 -4.840 0.013 1.00 . A A . 14 LEU HD11 1 1 9 3094 1 1 14 LEU HD12 H 0.903 -3.363 -0.434 1.00 . A A . 14 LEU HD12 1 1 9 3095 1 1 14 LEU HD13 H 0.429 -4.252 1.013 1.00 . A A . 14 LEU HD13 1 1 9 3096 1 1 14 LEU HD21 H 1.857 -4.273 2.992 1.00 . A A . 14 LEU HD21 1 1 9 3097 1 1 14 LEU HD22 H 3.340 -3.329 3.047 1.00 . A A . 14 LEU HD22 1 1 9 3098 1 1 14 LEU HD23 H 3.272 -4.811 2.088 1.00 . A A . 14 LEU HD23 1 1 9 3099 1 1 14 LEU HG H 1.722 -2.269 1.572 1.00 . A A . 14 LEU HG 1 1 9 3100 1 1 14 LEU N N 3.831 -0.547 1.461 1.00 . A A . 14 LEU N 1 1 9 3101 1 1 14 LEU O O 6.550 -2.390 0.059 1.00 . A A . 14 LEU O 1 1 9 3102 1 1 15 ALA C C 8.082 0.382 -0.426 1.00 . A A . 15 ALA C 1 1 9 3103 1 1 15 ALA CA C 6.895 -0.002 -1.298 1.00 . A A . 15 ALA CA 1 1 9 3104 1 1 15 ALA CB C 6.547 1.127 -2.263 1.00 . A A . 15 ALA CB 1 1 9 3105 1 1 15 ALA H H 5.017 0.300 -0.380 1.00 . A A . 15 ALA H 1 1 9 3106 1 1 15 ALA HA H 7.164 -0.879 -1.869 1.00 . A A . 15 ALA HA 1 1 9 3107 1 1 15 ALA HB1 H 7.393 1.329 -2.903 1.00 . A A . 15 ALA HB1 1 1 9 3108 1 1 15 ALA HB2 H 6.301 2.016 -1.701 1.00 . A A . 15 ALA HB2 1 1 9 3109 1 1 15 ALA HB3 H 5.699 0.837 -2.866 1.00 . A A . 15 ALA HB3 1 1 9 3110 1 1 15 ALA N N 5.749 -0.359 -0.459 1.00 . A A . 15 ALA N 1 1 9 3111 1 1 15 ALA O O 9.220 0.467 -0.893 1.00 . A A . 15 ALA O 1 1 9 3112 1 1 16 LYS C C 9.626 -0.336 2.103 1.00 . A A . 16 LYS C 1 1 9 3113 1 1 16 LYS CA C 8.837 0.936 1.801 1.00 . A A . 16 LYS CA 1 1 9 3114 1 1 16 LYS CB C 8.232 1.495 3.093 1.00 . A A . 16 LYS CB 1 1 9 3115 1 1 16 LYS CD C 8.297 3.927 2.431 1.00 . A A . 16 LYS CD 1 1 9 3116 1 1 16 LYS CE C 7.490 5.202 2.235 1.00 . A A . 16 LYS CE 1 1 9 3117 1 1 16 LYS CG C 7.427 2.781 2.917 1.00 . A A . 16 LYS CG 1 1 9 3118 1 1 16 LYS H H 6.859 0.663 1.102 1.00 . A A . 16 LYS H 1 1 9 3119 1 1 16 LYS HA H 9.500 1.669 1.369 1.00 . A A . 16 LYS HA 1 1 9 3120 1 1 16 LYS HB2 H 7.577 0.748 3.516 1.00 . A A . 16 LYS HB2 1 1 9 3121 1 1 16 LYS HB3 H 9.034 1.689 3.789 1.00 . A A . 16 LYS HB3 1 1 9 3122 1 1 16 LYS HD2 H 9.072 4.113 3.159 1.00 . A A . 16 LYS HD2 1 1 9 3123 1 1 16 LYS HD3 H 8.747 3.649 1.490 1.00 . A A . 16 LYS HD3 1 1 9 3124 1 1 16 LYS HE2 H 8.161 5.970 1.880 1.00 . A A . 16 LYS HE2 1 1 9 3125 1 1 16 LYS HE3 H 6.730 5.021 1.490 1.00 . A A . 16 LYS HE3 1 1 9 3126 1 1 16 LYS HG2 H 6.646 2.606 2.192 1.00 . A A . 16 LYS HG2 1 1 9 3127 1 1 16 LYS HG3 H 6.982 3.048 3.863 1.00 . A A . 16 LYS HG3 1 1 9 3128 1 1 16 LYS HZ1 H 6.160 4.975 3.828 1.00 . A A . 16 LYS HZ1 1 1 9 3129 1 1 16 LYS HZ2 H 6.329 6.555 3.332 1.00 . A A . 16 LYS HZ2 1 1 9 3130 1 1 16 LYS HZ3 H 7.554 5.830 4.237 1.00 . A A . 16 LYS HZ3 1 1 9 3131 1 1 16 LYS N N 7.802 0.643 0.835 1.00 . A A . 16 LYS N 1 1 9 3132 1 1 16 LYS NZ N 6.852 5.670 3.487 1.00 . A A . 16 LYS NZ 1 1 9 3133 1 1 16 LYS O O 10.849 -0.311 2.240 1.00 . A A . 16 LYS O 1 1 9 3134 1 1 17 ILE C C 9.999 -3.406 1.165 1.00 . A A . 17 ILE C 1 1 9 3135 1 1 17 ILE CA C 9.568 -2.718 2.474 1.00 . A A . 17 ILE CA 1 1 9 3136 1 1 17 ILE CB C 8.684 -3.668 3.375 1.00 . A A . 17 ILE CB 1 1 9 3137 1 1 17 ILE CD1 C 10.679 -4.796 4.528 1.00 . A A . 17 ILE CD1 1 1 9 3138 1 1 17 ILE CG1 C 9.414 -4.981 3.712 1.00 . A A . 17 ILE CG1 1 1 9 3139 1 1 17 ILE CG2 C 7.326 -3.960 2.752 1.00 . A A . 17 ILE CG2 1 1 9 3140 1 1 17 ILE H H 7.950 -1.398 2.071 1.00 . A A . 17 ILE H 1 1 9 3141 1 1 17 ILE HA H 10.473 -2.473 3.012 1.00 . A A . 17 ILE HA 1 1 9 3142 1 1 17 ILE HB H 8.496 -3.139 4.298 1.00 . A A . 17 ILE HB 1 1 9 3143 1 1 17 ILE HD11 H 10.439 -4.309 5.462 1.00 . A A . 17 ILE HD11 1 1 9 3144 1 1 17 ILE HD12 H 11.383 -4.191 3.976 1.00 . A A . 17 ILE HD12 1 1 9 3145 1 1 17 ILE HD13 H 11.120 -5.761 4.731 1.00 . A A . 17 ILE HD13 1 1 9 3146 1 1 17 ILE HG12 H 8.751 -5.620 4.276 1.00 . A A . 17 ILE HG12 1 1 9 3147 1 1 17 ILE HG13 H 9.681 -5.478 2.790 1.00 . A A . 17 ILE HG13 1 1 9 3148 1 1 17 ILE HG21 H 6.785 -3.035 2.617 1.00 . A A . 17 ILE HG21 1 1 9 3149 1 1 17 ILE HG22 H 6.765 -4.618 3.398 1.00 . A A . 17 ILE HG22 1 1 9 3150 1 1 17 ILE HG23 H 7.468 -4.434 1.791 1.00 . A A . 17 ILE HG23 1 1 9 3151 1 1 17 ILE N N 8.921 -1.449 2.197 1.00 . A A . 17 ILE N 1 1 9 3152 1 1 17 ILE O O 11.080 -4.005 1.085 1.00 . A A . 17 ILE O 1 1 9 3153 1 1 18 PHE C C 9.625 -2.752 -2.161 1.00 . A A . 18 PHE C 1 1 9 3154 1 1 18 PHE CA C 9.497 -3.861 -1.143 1.00 . A A . 18 PHE CA 1 1 9 3155 1 1 18 PHE CB C 8.449 -4.894 -1.574 1.00 . A A . 18 PHE CB 1 1 9 3156 1 1 18 PHE CD1 C 9.688 -6.666 -2.853 1.00 . A A . 18 PHE CD1 1 1 9 3157 1 1 18 PHE CD2 C 8.205 -5.243 -4.060 1.00 . A A . 18 PHE CD2 1 1 9 3158 1 1 18 PHE CE1 C 10.001 -7.330 -4.019 1.00 . A A . 18 PHE CE1 1 1 9 3159 1 1 18 PHE CE2 C 8.515 -5.904 -5.229 1.00 . A A . 18 PHE CE2 1 1 9 3160 1 1 18 PHE CG C 8.788 -5.614 -2.857 1.00 . A A . 18 PHE CG 1 1 9 3161 1 1 18 PHE CZ C 9.414 -6.950 -5.209 1.00 . A A . 18 PHE CZ 1 1 9 3162 1 1 18 PHE H H 8.334 -2.800 0.223 1.00 . A A . 18 PHE H 1 1 9 3163 1 1 18 PHE HA H 10.458 -4.346 -1.048 1.00 . A A . 18 PHE HA 1 1 9 3164 1 1 18 PHE HB2 H 8.346 -5.635 -0.796 1.00 . A A . 18 PHE HB2 1 1 9 3165 1 1 18 PHE HB3 H 7.503 -4.392 -1.710 1.00 . A A . 18 PHE HB3 1 1 9 3166 1 1 18 PHE HD1 H 10.149 -6.966 -1.922 1.00 . A A . 18 PHE HD1 1 1 9 3167 1 1 18 PHE HD2 H 7.502 -4.422 -4.076 1.00 . A A . 18 PHE HD2 1 1 9 3168 1 1 18 PHE HE1 H 10.706 -8.149 -3.999 1.00 . A A . 18 PHE HE1 1 1 9 3169 1 1 18 PHE HE2 H 8.051 -5.603 -6.158 1.00 . A A . 18 PHE HE2 1 1 9 3170 1 1 18 PHE HZ H 9.656 -7.471 -6.124 1.00 . A A . 18 PHE HZ 1 1 9 3171 1 1 18 PHE N N 9.181 -3.292 0.138 1.00 . A A . 18 PHE N 1 1 9 3172 1 1 18 PHE O O 8.634 -2.217 -2.668 1.00 . A A . 18 PHE O 1 1 9 3173 1 1 19 LYS C C 11.722 -1.902 -4.601 1.00 . A A . 19 LYS C 1 1 9 3174 1 1 19 LYS CA C 11.168 -1.341 -3.315 1.00 . A A . 19 LYS CA 1 1 9 3175 1 1 19 LYS CB C 12.134 -0.302 -2.651 1.00 . A A . 19 LYS CB 1 1 9 3176 1 1 19 LYS CD C 13.068 -1.501 -0.597 1.00 . A A . 19 LYS CD 1 1 9 3177 1 1 19 LYS CE C 14.282 -2.156 0.031 1.00 . A A . 19 LYS CE 1 1 9 3178 1 1 19 LYS CG C 13.391 -0.866 -1.952 1.00 . A A . 19 LYS CG 1 1 9 3179 1 1 19 LYS H H 11.565 -2.946 -2.066 1.00 . A A . 19 LYS H 1 1 9 3180 1 1 19 LYS HA H 10.236 -0.847 -3.550 1.00 . A A . 19 LYS HA 1 1 9 3181 1 1 19 LYS HB2 H 12.467 0.391 -3.409 1.00 . A A . 19 LYS HB2 1 1 9 3182 1 1 19 LYS HB3 H 11.566 0.250 -1.915 1.00 . A A . 19 LYS HB3 1 1 9 3183 1 1 19 LYS HD2 H 12.714 -0.728 0.071 1.00 . A A . 19 LYS HD2 1 1 9 3184 1 1 19 LYS HD3 H 12.290 -2.239 -0.716 1.00 . A A . 19 LYS HD3 1 1 9 3185 1 1 19 LYS HE2 H 13.979 -2.626 0.954 1.00 . A A . 19 LYS HE2 1 1 9 3186 1 1 19 LYS HE3 H 14.649 -2.910 -0.648 1.00 . A A . 19 LYS HE3 1 1 9 3187 1 1 19 LYS HG2 H 13.828 -1.621 -2.588 1.00 . A A . 19 LYS HG2 1 1 9 3188 1 1 19 LYS HG3 H 14.101 -0.065 -1.806 1.00 . A A . 19 LYS HG3 1 1 9 3189 1 1 19 LYS HZ1 H 15.024 -0.417 0.917 1.00 . A A . 19 LYS HZ1 1 1 9 3190 1 1 19 LYS HZ2 H 15.759 -0.786 -0.560 1.00 . A A . 19 LYS HZ2 1 1 9 3191 1 1 19 LYS HZ3 H 16.128 -1.679 0.816 1.00 . A A . 19 LYS HZ3 1 1 9 3192 1 1 19 LYS N N 10.835 -2.412 -2.437 1.00 . A A . 19 LYS N 1 1 9 3193 1 1 19 LYS NZ N 15.361 -1.192 0.311 1.00 . A A . 19 LYS NZ 1 1 9 3194 1 1 19 LYS O O 12.893 -2.318 -4.636 1.00 . A A . 19 LYS O 1 1 9 3195 1 1 19 LYS OXT O 10.974 -1.999 -5.585 1.00 . A A . 19 LYS OXT 1 1 10 3196 1 1 1 PRO C C -11.891 0.300 12.825 1.00 . A A . 1 PRO C 1 1 10 3197 1 1 1 PRO CA C -12.887 0.341 13.940 1.00 . A A . 1 PRO CA 1 1 10 3198 1 1 1 PRO CB C -13.856 1.496 13.723 1.00 . A A . 1 PRO CB 1 1 10 3199 1 1 1 PRO CD C -12.715 1.825 15.806 1.00 . A A . 1 PRO CD 1 1 10 3200 1 1 1 PRO CG C -13.339 2.556 14.635 1.00 . A A . 1 PRO CG 1 1 10 3201 1 1 1 PRO H2 H -11.470 -0.204 15.218 1.00 . A A . 1 PRO H2 1 1 10 3202 1 1 1 PRO H3 H -12.727 0.409 16.033 1.00 . A A . 1 PRO H3 1 1 10 3203 1 1 1 PRO HA H -13.433 -0.588 13.992 1.00 . A A . 1 PRO HA 1 1 10 3204 1 1 1 PRO HB2 H -13.826 1.804 12.687 1.00 . A A . 1 PRO HB2 1 1 10 3205 1 1 1 PRO HB3 H -14.858 1.198 13.995 1.00 . A A . 1 PRO HB3 1 1 10 3206 1 1 1 PRO HD2 H -11.976 2.457 16.280 1.00 . A A . 1 PRO HD2 1 1 10 3207 1 1 1 PRO HD3 H -13.500 1.627 16.523 1.00 . A A . 1 PRO HD3 1 1 10 3208 1 1 1 PRO HG2 H -12.599 3.151 14.120 1.00 . A A . 1 PRO HG2 1 1 10 3209 1 1 1 PRO HG3 H -14.155 3.178 14.971 1.00 . A A . 1 PRO HG3 1 1 10 3210 1 1 1 PRO N N -12.169 0.565 15.173 1.00 . A A . 1 PRO N 1 1 10 3211 1 1 1 PRO O O -10.708 0.590 13.054 1.00 . A A . 1 PRO O 1 1 10 3212 1 1 2 MET C C -10.956 1.250 10.165 1.00 . A A . 2 MET C 1 1 10 3213 1 1 2 MET CA C -11.485 -0.124 10.485 1.00 . A A . 2 MET CA 1 1 10 3214 1 1 2 MET CB C -12.238 -0.710 9.289 1.00 . A A . 2 MET CB 1 1 10 3215 1 1 2 MET CE C -10.516 -3.229 8.241 1.00 . A A . 2 MET CE 1 1 10 3216 1 1 2 MET CG C -12.723 -2.136 9.517 1.00 . A A . 2 MET CG 1 1 10 3217 1 1 2 MET H H -13.297 -0.250 11.528 1.00 . A A . 2 MET H 1 1 10 3218 1 1 2 MET HA H -10.658 -0.771 10.733 1.00 . A A . 2 MET HA 1 1 10 3219 1 1 2 MET HB2 H -13.095 -0.086 9.084 1.00 . A A . 2 MET HB2 1 1 10 3220 1 1 2 MET HB3 H -11.590 -0.702 8.425 1.00 . A A . 2 MET HB3 1 1 10 3221 1 1 2 MET HE1 H -11.170 -3.580 7.457 1.00 . A A . 2 MET HE1 1 1 10 3222 1 1 2 MET HE2 H -9.633 -3.849 8.284 1.00 . A A . 2 MET HE2 1 1 10 3223 1 1 2 MET HE3 H -10.225 -2.211 8.033 1.00 . A A . 2 MET HE3 1 1 10 3224 1 1 2 MET HG2 H -13.372 -2.146 10.379 1.00 . A A . 2 MET HG2 1 1 10 3225 1 1 2 MET HG3 H -13.276 -2.467 8.651 1.00 . A A . 2 MET HG3 1 1 10 3226 1 1 2 MET N N -12.342 -0.048 11.643 1.00 . A A . 2 MET N 1 1 10 3227 1 1 2 MET O O -11.720 2.175 9.892 1.00 . A A . 2 MET O 1 1 10 3228 1 1 2 MET SD S -11.372 -3.299 9.813 1.00 . A A . 2 MET SD 1 1 10 3229 1 1 3 ALA C C -8.913 2.979 8.534 1.00 . A A . 3 ALA C 1 1 10 3230 1 1 3 ALA CA C -9.004 2.663 10.016 1.00 . A A . 3 ALA CA 1 1 10 3231 1 1 3 ALA CB C -7.633 2.673 10.665 1.00 . A A . 3 ALA CB 1 1 10 3232 1 1 3 ALA H H -9.106 0.609 10.465 1.00 . A A . 3 ALA H 1 1 10 3233 1 1 3 ALA HA H -9.609 3.422 10.491 1.00 . A A . 3 ALA HA 1 1 10 3234 1 1 3 ALA HB1 H -7.002 1.933 10.198 1.00 . A A . 3 ALA HB1 1 1 10 3235 1 1 3 ALA HB2 H -7.734 2.450 11.717 1.00 . A A . 3 ALA HB2 1 1 10 3236 1 1 3 ALA HB3 H -7.190 3.650 10.552 1.00 . A A . 3 ALA HB3 1 1 10 3237 1 1 3 ALA N N -9.655 1.391 10.239 1.00 . A A . 3 ALA N 1 1 10 3238 1 1 3 ALA O O -8.630 4.108 8.153 1.00 . A A . 3 ALA O 1 1 10 3239 1 1 4 ARG C C -7.911 2.546 5.654 1.00 . A A . 4 ARG C 1 1 10 3240 1 1 4 ARG CA C -9.187 2.045 6.272 1.00 . A A . 4 ARG CA 1 1 10 3241 1 1 4 ARG CB C -10.395 2.782 5.750 1.00 . A A . 4 ARG CB 1 1 10 3242 1 1 4 ARG CD C -11.674 0.723 5.079 1.00 . A A . 4 ARG CD 1 1 10 3243 1 1 4 ARG CG C -11.694 2.007 5.913 1.00 . A A . 4 ARG CG 1 1 10 3244 1 1 4 ARG CZ C -10.730 0.149 2.824 1.00 . A A . 4 ARG CZ 1 1 10 3245 1 1 4 ARG H H -9.364 1.091 8.122 1.00 . A A . 4 ARG H 1 1 10 3246 1 1 4 ARG HA H -9.274 1.022 5.940 1.00 . A A . 4 ARG HA 1 1 10 3247 1 1 4 ARG HB2 H -10.452 3.709 6.295 1.00 . A A . 4 ARG HB2 1 1 10 3248 1 1 4 ARG HB3 H -10.246 2.996 4.702 1.00 . A A . 4 ARG HB3 1 1 10 3249 1 1 4 ARG HD2 H -10.952 0.034 5.488 1.00 . A A . 4 ARG HD2 1 1 10 3250 1 1 4 ARG HD3 H -12.652 0.268 5.125 1.00 . A A . 4 ARG HD3 1 1 10 3251 1 1 4 ARG HE H -11.613 1.888 3.334 1.00 . A A . 4 ARG HE 1 1 10 3252 1 1 4 ARG HG2 H -11.805 1.746 6.956 1.00 . A A . 4 ARG HG2 1 1 10 3253 1 1 4 ARG HG3 H -12.520 2.627 5.611 1.00 . A A . 4 ARG HG3 1 1 10 3254 1 1 4 ARG HH11 H -10.524 -1.388 4.169 1.00 . A A . 4 ARG HH11 1 1 10 3255 1 1 4 ARG HH12 H -9.898 -1.696 2.622 1.00 . A A . 4 ARG HH12 1 1 10 3256 1 1 4 ARG HH21 H -10.716 1.437 1.237 1.00 . A A . 4 ARG HH21 1 1 10 3257 1 1 4 ARG HH22 H -10.013 -0.093 0.927 1.00 . A A . 4 ARG HH22 1 1 10 3258 1 1 4 ARG N N -9.171 1.960 7.716 1.00 . A A . 4 ARG N 1 1 10 3259 1 1 4 ARG NE N -11.349 0.997 3.662 1.00 . A A . 4 ARG NE 1 1 10 3260 1 1 4 ARG NH1 N -10.363 -1.054 3.236 1.00 . A A . 4 ARG NH1 1 1 10 3261 1 1 4 ARG NH2 N -10.466 0.523 1.574 1.00 . A A . 4 ARG NH2 1 1 10 3262 1 1 4 ARG O O -7.644 3.768 5.545 1.00 . A A . 4 ARG O 1 1 10 3263 1 1 5 ASN C C -6.222 1.911 3.107 1.00 . A A . 5 ASN C 1 1 10 3264 1 1 5 ASN CA C -5.908 1.927 4.574 1.00 . A A . 5 ASN CA 1 1 10 3265 1 1 5 ASN CB C -4.796 0.923 4.902 1.00 . A A . 5 ASN CB 1 1 10 3266 1 1 5 ASN CG C -3.469 1.296 4.256 1.00 . A A . 5 ASN CG 1 1 10 3267 1 1 5 ASN H H -7.392 0.694 5.431 1.00 . A A . 5 ASN H 1 1 10 3268 1 1 5 ASN HA H -5.601 2.924 4.859 1.00 . A A . 5 ASN HA 1 1 10 3269 1 1 5 ASN HB2 H -4.654 0.887 5.972 1.00 . A A . 5 ASN HB2 1 1 10 3270 1 1 5 ASN HB3 H -5.087 -0.055 4.547 1.00 . A A . 5 ASN HB3 1 1 10 3271 1 1 5 ASN HD21 H -2.918 -0.592 4.227 1.00 . A A . 5 ASN HD21 1 1 10 3272 1 1 5 ASN HD22 H -1.778 0.536 3.590 1.00 . A A . 5 ASN HD22 1 1 10 3273 1 1 5 ASN N N -7.121 1.622 5.265 1.00 . A A . 5 ASN N 1 1 10 3274 1 1 5 ASN ND2 N -2.643 0.323 3.996 1.00 . A A . 5 ASN ND2 1 1 10 3275 1 1 5 ASN O O -6.720 0.915 2.587 1.00 . A A . 5 ASN O 1 1 10 3276 1 1 5 ASN OD1 O -3.182 2.470 4.024 1.00 . A A . 5 ASN OD1 1 1 10 3277 1 1 6 LYS C C -5.300 2.351 0.216 1.00 . A A . 6 LYS C 1 1 10 3278 1 1 6 LYS CA C -6.302 3.131 1.048 1.00 . A A . 6 LYS CA 1 1 10 3279 1 1 6 LYS CB C -6.367 4.612 0.610 1.00 . A A . 6 LYS CB 1 1 10 3280 1 1 6 LYS CD C -7.888 5.486 2.516 1.00 . A A . 6 LYS CD 1 1 10 3281 1 1 6 LYS CE C -6.842 6.359 3.187 1.00 . A A . 6 LYS CE 1 1 10 3282 1 1 6 LYS CG C -7.660 5.360 1.007 1.00 . A A . 6 LYS CG 1 1 10 3283 1 1 6 LYS H H -5.533 3.737 2.926 1.00 . A A . 6 LYS H 1 1 10 3284 1 1 6 LYS HA H -7.276 2.685 0.916 1.00 . A A . 6 LYS HA 1 1 10 3285 1 1 6 LYS HB2 H -5.531 5.136 1.048 1.00 . A A . 6 LYS HB2 1 1 10 3286 1 1 6 LYS HB3 H -6.272 4.652 -0.465 1.00 . A A . 6 LYS HB3 1 1 10 3287 1 1 6 LYS HD2 H -8.863 5.916 2.691 1.00 . A A . 6 LYS HD2 1 1 10 3288 1 1 6 LYS HD3 H -7.853 4.498 2.953 1.00 . A A . 6 LYS HD3 1 1 10 3289 1 1 6 LYS HE2 H -5.868 5.920 3.034 1.00 . A A . 6 LYS HE2 1 1 10 3290 1 1 6 LYS HE3 H -6.869 7.341 2.740 1.00 . A A . 6 LYS HE3 1 1 10 3291 1 1 6 LYS HG2 H -7.620 6.354 0.591 1.00 . A A . 6 LYS HG2 1 1 10 3292 1 1 6 LYS HG3 H -8.495 4.832 0.569 1.00 . A A . 6 LYS HG3 1 1 10 3293 1 1 6 LYS HZ1 H -7.133 5.545 5.090 1.00 . A A . 6 LYS HZ1 1 1 10 3294 1 1 6 LYS HZ2 H -7.978 6.972 4.842 1.00 . A A . 6 LYS HZ2 1 1 10 3295 1 1 6 LYS HZ3 H -6.307 7.007 5.088 1.00 . A A . 6 LYS HZ3 1 1 10 3296 1 1 6 LYS N N -5.984 3.008 2.453 1.00 . A A . 6 LYS N 1 1 10 3297 1 1 6 LYS NZ N -7.083 6.482 4.637 1.00 . A A . 6 LYS NZ 1 1 10 3298 1 1 6 LYS O O -4.125 2.327 0.560 1.00 . A A . 6 LYS O 1 1 10 3299 1 1 7 PRO C C -3.615 1.599 -2.187 1.00 . A A . 7 PRO C 1 1 10 3300 1 1 7 PRO CA C -4.884 0.864 -1.745 1.00 . A A . 7 PRO CA 1 1 10 3301 1 1 7 PRO CB C -5.773 0.562 -2.944 1.00 . A A . 7 PRO CB 1 1 10 3302 1 1 7 PRO CD C -7.163 1.630 -1.324 1.00 . A A . 7 PRO CD 1 1 10 3303 1 1 7 PRO CG C -7.153 0.574 -2.395 1.00 . A A . 7 PRO CG 1 1 10 3304 1 1 7 PRO HA H -4.604 -0.058 -1.259 1.00 . A A . 7 PRO HA 1 1 10 3305 1 1 7 PRO HB2 H -5.633 1.332 -3.687 1.00 . A A . 7 PRO HB2 1 1 10 3306 1 1 7 PRO HB3 H -5.518 -0.402 -3.360 1.00 . A A . 7 PRO HB3 1 1 10 3307 1 1 7 PRO HD2 H -7.474 2.582 -1.729 1.00 . A A . 7 PRO HD2 1 1 10 3308 1 1 7 PRO HD3 H -7.815 1.328 -0.518 1.00 . A A . 7 PRO HD3 1 1 10 3309 1 1 7 PRO HG2 H -7.857 0.821 -3.174 1.00 . A A . 7 PRO HG2 1 1 10 3310 1 1 7 PRO HG3 H -7.388 -0.391 -1.969 1.00 . A A . 7 PRO HG3 1 1 10 3311 1 1 7 PRO N N -5.754 1.679 -0.871 1.00 . A A . 7 PRO N 1 1 10 3312 1 1 7 PRO O O -2.543 1.004 -2.252 1.00 . A A . 7 PRO O 1 1 10 3313 1 1 8 LYS C C -1.573 3.751 -1.698 1.00 . A A . 8 LYS C 1 1 10 3314 1 1 8 LYS CA C -2.574 3.702 -2.840 1.00 . A A . 8 LYS CA 1 1 10 3315 1 1 8 LYS CB C -2.962 5.139 -3.209 1.00 . A A . 8 LYS CB 1 1 10 3316 1 1 8 LYS CD C -2.111 7.435 -3.823 1.00 . A A . 8 LYS CD 1 1 10 3317 1 1 8 LYS CE C -0.888 8.198 -4.297 1.00 . A A . 8 LYS CE 1 1 10 3318 1 1 8 LYS CG C -1.758 5.986 -3.600 1.00 . A A . 8 LYS CG 1 1 10 3319 1 1 8 LYS H H -4.624 3.315 -2.411 1.00 . A A . 8 LYS H 1 1 10 3320 1 1 8 LYS HA H -2.110 3.231 -3.695 1.00 . A A . 8 LYS HA 1 1 10 3321 1 1 8 LYS HB2 H -3.649 5.117 -4.042 1.00 . A A . 8 LYS HB2 1 1 10 3322 1 1 8 LYS HB3 H -3.442 5.603 -2.361 1.00 . A A . 8 LYS HB3 1 1 10 3323 1 1 8 LYS HD2 H -2.894 7.503 -4.561 1.00 . A A . 8 LYS HD2 1 1 10 3324 1 1 8 LYS HD3 H -2.452 7.861 -2.891 1.00 . A A . 8 LYS HD3 1 1 10 3325 1 1 8 LYS HE2 H -0.086 8.049 -3.591 1.00 . A A . 8 LYS HE2 1 1 10 3326 1 1 8 LYS HE3 H -0.590 7.796 -5.254 1.00 . A A . 8 LYS HE3 1 1 10 3327 1 1 8 LYS HG2 H -1.030 5.932 -2.806 1.00 . A A . 8 LYS HG2 1 1 10 3328 1 1 8 LYS HG3 H -1.322 5.583 -4.501 1.00 . A A . 8 LYS HG3 1 1 10 3329 1 1 8 LYS HZ1 H -1.889 9.821 -5.143 1.00 . A A . 8 LYS HZ1 1 1 10 3330 1 1 8 LYS HZ2 H -0.287 10.128 -4.760 1.00 . A A . 8 LYS HZ2 1 1 10 3331 1 1 8 LYS HZ3 H -1.433 10.065 -3.538 1.00 . A A . 8 LYS HZ3 1 1 10 3332 1 1 8 LYS N N -3.734 2.902 -2.458 1.00 . A A . 8 LYS N 1 1 10 3333 1 1 8 LYS NZ N -1.146 9.637 -4.442 1.00 . A A . 8 LYS NZ 1 1 10 3334 1 1 8 LYS O O -0.386 3.520 -1.889 1.00 . A A . 8 LYS O 1 1 10 3335 1 1 9 ILE C C -0.646 2.815 1.037 1.00 . A A . 9 ILE C 1 1 10 3336 1 1 9 ILE CA C -1.245 4.163 0.672 1.00 . A A . 9 ILE CA 1 1 10 3337 1 1 9 ILE CB C -2.051 4.750 1.868 1.00 . A A . 9 ILE CB 1 1 10 3338 1 1 9 ILE CD1 C -1.776 7.159 0.988 1.00 . A A . 9 ILE CD1 1 1 10 3339 1 1 9 ILE CG1 C -2.732 6.072 1.459 1.00 . A A . 9 ILE CG1 1 1 10 3340 1 1 9 ILE CG2 C -1.148 4.973 3.083 1.00 . A A . 9 ILE CG2 1 1 10 3341 1 1 9 ILE H H -3.049 4.083 -0.422 1.00 . A A . 9 ILE H 1 1 10 3342 1 1 9 ILE HA H -0.437 4.836 0.426 1.00 . A A . 9 ILE HA 1 1 10 3343 1 1 9 ILE HB H -2.814 4.037 2.140 1.00 . A A . 9 ILE HB 1 1 10 3344 1 1 9 ILE HD11 H -2.340 8.037 0.711 1.00 . A A . 9 ILE HD11 1 1 10 3345 1 1 9 ILE HD12 H -1.223 6.808 0.129 1.00 . A A . 9 ILE HD12 1 1 10 3346 1 1 9 ILE HD13 H -1.091 7.408 1.784 1.00 . A A . 9 ILE HD13 1 1 10 3347 1 1 9 ILE HG12 H -3.422 5.878 0.651 1.00 . A A . 9 ILE HG12 1 1 10 3348 1 1 9 ILE HG13 H -3.284 6.456 2.305 1.00 . A A . 9 ILE HG13 1 1 10 3349 1 1 9 ILE HG21 H -0.704 4.035 3.379 1.00 . A A . 9 ILE HG21 1 1 10 3350 1 1 9 ILE HG22 H -1.736 5.364 3.899 1.00 . A A . 9 ILE HG22 1 1 10 3351 1 1 9 ILE HG23 H -0.370 5.678 2.830 1.00 . A A . 9 ILE HG23 1 1 10 3352 1 1 9 ILE N N -2.075 4.017 -0.509 1.00 . A A . 9 ILE N 1 1 10 3353 1 1 9 ILE O O 0.507 2.731 1.473 1.00 . A A . 9 ILE O 1 1 10 3354 1 1 10 LEU C C 0.205 0.135 0.084 1.00 . A A . 10 LEU C 1 1 10 3355 1 1 10 LEU CA C -0.962 0.408 1.007 1.00 . A A . 10 LEU CA 1 1 10 3356 1 1 10 LEU CB C -2.077 -0.611 0.754 1.00 . A A . 10 LEU CB 1 1 10 3357 1 1 10 LEU CD1 C -1.213 -2.396 2.320 1.00 . A A . 10 LEU CD1 1 1 10 3358 1 1 10 LEU CD2 C -2.809 -2.991 0.498 1.00 . A A . 10 LEU CD2 1 1 10 3359 1 1 10 LEU CG C -1.671 -2.087 0.901 1.00 . A A . 10 LEU CG 1 1 10 3360 1 1 10 LEU H H -2.353 1.922 0.524 1.00 . A A . 10 LEU H 1 1 10 3361 1 1 10 LEU HA H -0.627 0.318 2.029 1.00 . A A . 10 LEU HA 1 1 10 3362 1 1 10 LEU HB2 H -2.881 -0.408 1.446 1.00 . A A . 10 LEU HB2 1 1 10 3363 1 1 10 LEU HB3 H -2.444 -0.464 -0.251 1.00 . A A . 10 LEU HB3 1 1 10 3364 1 1 10 LEU HD11 H -2.011 -2.166 3.010 1.00 . A A . 10 LEU HD11 1 1 10 3365 1 1 10 LEU HD12 H -0.342 -1.803 2.560 1.00 . A A . 10 LEU HD12 1 1 10 3366 1 1 10 LEU HD13 H -0.964 -3.444 2.398 1.00 . A A . 10 LEU HD13 1 1 10 3367 1 1 10 LEU HD21 H -3.069 -2.805 -0.533 1.00 . A A . 10 LEU HD21 1 1 10 3368 1 1 10 LEU HD22 H -3.663 -2.789 1.127 1.00 . A A . 10 LEU HD22 1 1 10 3369 1 1 10 LEU HD23 H -2.512 -4.024 0.614 1.00 . A A . 10 LEU HD23 1 1 10 3370 1 1 10 LEU HG H -0.837 -2.278 0.242 1.00 . A A . 10 LEU HG 1 1 10 3371 1 1 10 LEU N N -1.426 1.763 0.814 1.00 . A A . 10 LEU N 1 1 10 3372 1 1 10 LEU O O 1.231 -0.335 0.527 1.00 . A A . 10 LEU O 1 1 10 3373 1 1 11 LYS C C 2.353 1.096 -1.753 1.00 . A A . 11 LYS C 1 1 10 3374 1 1 11 LYS CA C 1.101 0.314 -2.169 1.00 . A A . 11 LYS CA 1 1 10 3375 1 1 11 LYS CB C 0.625 0.760 -3.562 1.00 . A A . 11 LYS CB 1 1 10 3376 1 1 11 LYS CD C 1.191 1.089 -5.995 1.00 . A A . 11 LYS CD 1 1 10 3377 1 1 11 LYS CE C 2.322 1.059 -7.006 1.00 . A A . 11 LYS CE 1 1 10 3378 1 1 11 LYS CG C 1.703 0.685 -4.629 1.00 . A A . 11 LYS CG 1 1 10 3379 1 1 11 LYS H H -0.827 0.826 -1.480 1.00 . A A . 11 LYS H 1 1 10 3380 1 1 11 LYS HA H 1.351 -0.736 -2.206 1.00 . A A . 11 LYS HA 1 1 10 3381 1 1 11 LYS HB2 H -0.198 0.131 -3.866 1.00 . A A . 11 LYS HB2 1 1 10 3382 1 1 11 LYS HB3 H 0.279 1.781 -3.498 1.00 . A A . 11 LYS HB3 1 1 10 3383 1 1 11 LYS HD2 H 0.416 0.403 -6.304 1.00 . A A . 11 LYS HD2 1 1 10 3384 1 1 11 LYS HD3 H 0.790 2.091 -5.944 1.00 . A A . 11 LYS HD3 1 1 10 3385 1 1 11 LYS HE2 H 3.028 1.831 -6.739 1.00 . A A . 11 LYS HE2 1 1 10 3386 1 1 11 LYS HE3 H 2.812 0.098 -6.958 1.00 . A A . 11 LYS HE3 1 1 10 3387 1 1 11 LYS HG2 H 2.512 1.346 -4.353 1.00 . A A . 11 LYS HG2 1 1 10 3388 1 1 11 LYS HG3 H 2.074 -0.329 -4.676 1.00 . A A . 11 LYS HG3 1 1 10 3389 1 1 11 LYS HZ1 H 1.409 2.236 -8.484 1.00 . A A . 11 LYS HZ1 1 1 10 3390 1 1 11 LYS HZ2 H 1.170 0.580 -8.662 1.00 . A A . 11 LYS HZ2 1 1 10 3391 1 1 11 LYS HZ3 H 2.656 1.241 -9.047 1.00 . A A . 11 LYS HZ3 1 1 10 3392 1 1 11 LYS N N 0.044 0.476 -1.187 1.00 . A A . 11 LYS N 1 1 10 3393 1 1 11 LYS NZ N 1.860 1.306 -8.381 1.00 . A A . 11 LYS NZ 1 1 10 3394 1 1 11 LYS O O 3.477 0.634 -1.947 1.00 . A A . 11 LYS O 1 1 10 3395 1 1 12 ARG C C 4.028 2.345 0.387 1.00 . A A . 12 ARG C 1 1 10 3396 1 1 12 ARG CA C 3.263 3.075 -0.711 1.00 . A A . 12 ARG CA 1 1 10 3397 1 1 12 ARG CB C 2.838 4.472 -0.205 1.00 . A A . 12 ARG CB 1 1 10 3398 1 1 12 ARG CD C 2.529 5.295 -2.598 1.00 . A A . 12 ARG CD 1 1 10 3399 1 1 12 ARG CG C 1.992 5.304 -1.170 1.00 . A A . 12 ARG CG 1 1 10 3400 1 1 12 ARG CZ C 4.697 5.515 -3.771 1.00 . A A . 12 ARG CZ 1 1 10 3401 1 1 12 ARG H H 1.220 2.567 -1.044 1.00 . A A . 12 ARG H 1 1 10 3402 1 1 12 ARG HA H 3.927 3.192 -1.555 1.00 . A A . 12 ARG HA 1 1 10 3403 1 1 12 ARG HB2 H 2.267 4.344 0.702 1.00 . A A . 12 ARG HB2 1 1 10 3404 1 1 12 ARG HB3 H 3.731 5.031 0.031 1.00 . A A . 12 ARG HB3 1 1 10 3405 1 1 12 ARG HD2 H 2.440 4.292 -2.992 1.00 . A A . 12 ARG HD2 1 1 10 3406 1 1 12 ARG HD3 H 1.924 5.961 -3.195 1.00 . A A . 12 ARG HD3 1 1 10 3407 1 1 12 ARG HE H 4.299 6.128 -1.885 1.00 . A A . 12 ARG HE 1 1 10 3408 1 1 12 ARG HG2 H 0.989 4.905 -1.185 1.00 . A A . 12 ARG HG2 1 1 10 3409 1 1 12 ARG HG3 H 1.968 6.320 -0.808 1.00 . A A . 12 ARG HG3 1 1 10 3410 1 1 12 ARG HH11 H 3.201 4.746 -4.962 1.00 . A A . 12 ARG HH11 1 1 10 3411 1 1 12 ARG HH12 H 4.736 4.818 -5.698 1.00 . A A . 12 ARG HH12 1 1 10 3412 1 1 12 ARG HH21 H 6.383 6.272 -2.911 1.00 . A A . 12 ARG HH21 1 1 10 3413 1 1 12 ARG HH22 H 6.612 5.740 -4.505 1.00 . A A . 12 ARG HH22 1 1 10 3414 1 1 12 ARG N N 2.149 2.267 -1.161 1.00 . A A . 12 ARG N 1 1 10 3415 1 1 12 ARG NE N 3.928 5.709 -2.695 1.00 . A A . 12 ARG NE 1 1 10 3416 1 1 12 ARG NH1 N 4.171 4.996 -4.889 1.00 . A A . 12 ARG NH1 1 1 10 3417 1 1 12 ARG NH2 N 5.979 5.864 -3.734 1.00 . A A . 12 ARG NH2 1 1 10 3418 1 1 12 ARG O O 5.203 2.015 0.206 1.00 . A A . 12 ARG O 1 1 10 3419 1 1 13 ILE C C 4.548 -0.014 2.198 1.00 . A A . 13 ILE C 1 1 10 3420 1 1 13 ILE CA C 3.990 1.352 2.627 1.00 . A A . 13 ILE CA 1 1 10 3421 1 1 13 ILE CB C 3.055 1.240 3.894 1.00 . A A . 13 ILE CB 1 1 10 3422 1 1 13 ILE CD1 C 4.990 1.206 5.584 1.00 . A A . 13 ILE CD1 1 1 10 3423 1 1 13 ILE CG1 C 3.749 0.513 5.062 1.00 . A A . 13 ILE CG1 1 1 10 3424 1 1 13 ILE CG2 C 1.731 0.576 3.573 1.00 . A A . 13 ILE CG2 1 1 10 3425 1 1 13 ILE H H 2.386 2.246 1.532 1.00 . A A . 13 ILE H 1 1 10 3426 1 1 13 ILE HA H 4.844 1.965 2.875 1.00 . A A . 13 ILE HA 1 1 10 3427 1 1 13 ILE HB H 2.832 2.250 4.208 1.00 . A A . 13 ILE HB 1 1 10 3428 1 1 13 ILE HD11 H 4.732 2.192 5.939 1.00 . A A . 13 ILE HD11 1 1 10 3429 1 1 13 ILE HD12 H 5.718 1.284 4.791 1.00 . A A . 13 ILE HD12 1 1 10 3430 1 1 13 ILE HD13 H 5.406 0.629 6.397 1.00 . A A . 13 ILE HD13 1 1 10 3431 1 1 13 ILE HG12 H 3.054 0.433 5.884 1.00 . A A . 13 ILE HG12 1 1 10 3432 1 1 13 ILE HG13 H 4.029 -0.478 4.739 1.00 . A A . 13 ILE HG13 1 1 10 3433 1 1 13 ILE HG21 H 1.216 1.156 2.821 1.00 . A A . 13 ILE HG21 1 1 10 3434 1 1 13 ILE HG22 H 1.125 0.526 4.466 1.00 . A A . 13 ILE HG22 1 1 10 3435 1 1 13 ILE HG23 H 1.909 -0.420 3.199 1.00 . A A . 13 ILE HG23 1 1 10 3436 1 1 13 ILE N N 3.346 2.031 1.493 1.00 . A A . 13 ILE N 1 1 10 3437 1 1 13 ILE O O 5.623 -0.423 2.647 1.00 . A A . 13 ILE O 1 1 10 3438 1 1 14 LEU C C 5.634 -1.695 -0.001 1.00 . A A . 14 LEU C 1 1 10 3439 1 1 14 LEU CA C 4.299 -1.903 0.695 1.00 . A A . 14 LEU CA 1 1 10 3440 1 1 14 LEU CB C 3.268 -2.421 -0.315 1.00 . A A . 14 LEU CB 1 1 10 3441 1 1 14 LEU CD1 C 3.701 -4.887 -0.094 1.00 . A A . 14 LEU CD1 1 1 10 3442 1 1 14 LEU CD2 C 2.585 -3.980 -2.142 1.00 . A A . 14 LEU CD2 1 1 10 3443 1 1 14 LEU CG C 3.610 -3.713 -1.055 1.00 . A A . 14 LEU CG 1 1 10 3444 1 1 14 LEU H H 2.979 -0.305 0.992 1.00 . A A . 14 LEU H 1 1 10 3445 1 1 14 LEU HA H 4.413 -2.630 1.485 1.00 . A A . 14 LEU HA 1 1 10 3446 1 1 14 LEU HB2 H 2.336 -2.573 0.209 1.00 . A A . 14 LEU HB2 1 1 10 3447 1 1 14 LEU HB3 H 3.116 -1.644 -1.050 1.00 . A A . 14 LEU HB3 1 1 10 3448 1 1 14 LEU HD11 H 3.945 -5.781 -0.648 1.00 . A A . 14 LEU HD11 1 1 10 3449 1 1 14 LEU HD12 H 2.754 -5.020 0.405 1.00 . A A . 14 LEU HD12 1 1 10 3450 1 1 14 LEU HD13 H 4.473 -4.697 0.637 1.00 . A A . 14 LEU HD13 1 1 10 3451 1 1 14 LEU HD21 H 2.581 -3.159 -2.844 1.00 . A A . 14 LEU HD21 1 1 10 3452 1 1 14 LEU HD22 H 1.605 -4.078 -1.697 1.00 . A A . 14 LEU HD22 1 1 10 3453 1 1 14 LEU HD23 H 2.838 -4.893 -2.659 1.00 . A A . 14 LEU HD23 1 1 10 3454 1 1 14 LEU HG H 4.576 -3.599 -1.526 1.00 . A A . 14 LEU HG 1 1 10 3455 1 1 14 LEU N N 3.851 -0.661 1.281 1.00 . A A . 14 LEU N 1 1 10 3456 1 1 14 LEU O O 6.547 -2.467 0.192 1.00 . A A . 14 LEU O 1 1 10 3457 1 1 15 ALA C C 8.091 0.156 -0.600 1.00 . A A . 15 ALA C 1 1 10 3458 1 1 15 ALA CA C 6.972 -0.327 -1.507 1.00 . A A . 15 ALA CA 1 1 10 3459 1 1 15 ALA CB C 6.693 0.691 -2.606 1.00 . A A . 15 ALA CB 1 1 10 3460 1 1 15 ALA H H 5.049 0.092 -0.750 1.00 . A A . 15 ALA H 1 1 10 3461 1 1 15 ALA HA H 7.277 -1.255 -1.968 1.00 . A A . 15 ALA HA 1 1 10 3462 1 1 15 ALA HB1 H 5.895 0.330 -3.237 1.00 . A A . 15 ALA HB1 1 1 10 3463 1 1 15 ALA HB2 H 7.584 0.839 -3.199 1.00 . A A . 15 ALA HB2 1 1 10 3464 1 1 15 ALA HB3 H 6.400 1.629 -2.158 1.00 . A A . 15 ALA HB3 1 1 10 3465 1 1 15 ALA N N 5.764 -0.591 -0.738 1.00 . A A . 15 ALA N 1 1 10 3466 1 1 15 ALA O O 9.273 0.090 -0.948 1.00 . A A . 15 ALA O 1 1 10 3467 1 1 16 LYS C C 9.317 -0.075 2.195 1.00 . A A . 16 LYS C 1 1 10 3468 1 1 16 LYS CA C 8.659 1.116 1.522 1.00 . A A . 16 LYS CA 1 1 10 3469 1 1 16 LYS CB C 7.931 1.958 2.539 1.00 . A A . 16 LYS CB 1 1 10 3470 1 1 16 LYS CD C 7.962 3.454 4.525 1.00 . A A . 16 LYS CD 1 1 10 3471 1 1 16 LYS CE C 6.951 4.408 3.884 1.00 . A A . 16 LYS CE 1 1 10 3472 1 1 16 LYS CG C 8.812 2.745 3.487 1.00 . A A . 16 LYS CG 1 1 10 3473 1 1 16 LYS H H 6.760 0.716 0.770 1.00 . A A . 16 LYS H 1 1 10 3474 1 1 16 LYS HA H 9.408 1.719 1.031 1.00 . A A . 16 LYS HA 1 1 10 3475 1 1 16 LYS HB2 H 7.311 2.650 1.992 1.00 . A A . 16 LYS HB2 1 1 10 3476 1 1 16 LYS HB3 H 7.291 1.309 3.120 1.00 . A A . 16 LYS HB3 1 1 10 3477 1 1 16 LYS HD2 H 7.428 2.716 5.106 1.00 . A A . 16 LYS HD2 1 1 10 3478 1 1 16 LYS HD3 H 8.611 4.018 5.178 1.00 . A A . 16 LYS HD3 1 1 10 3479 1 1 16 LYS HE2 H 6.398 3.874 3.128 1.00 . A A . 16 LYS HE2 1 1 10 3480 1 1 16 LYS HE3 H 6.244 4.727 4.631 1.00 . A A . 16 LYS HE3 1 1 10 3481 1 1 16 LYS HG2 H 9.497 2.072 3.979 1.00 . A A . 16 LYS HG2 1 1 10 3482 1 1 16 LYS HG3 H 9.366 3.482 2.925 1.00 . A A . 16 LYS HG3 1 1 10 3483 1 1 16 LYS HZ1 H 8.140 6.118 3.969 1.00 . A A . 16 LYS HZ1 1 1 10 3484 1 1 16 LYS HZ2 H 6.868 6.233 2.891 1.00 . A A . 16 LYS HZ2 1 1 10 3485 1 1 16 LYS HZ3 H 8.228 5.327 2.482 1.00 . A A . 16 LYS HZ3 1 1 10 3486 1 1 16 LYS N N 7.717 0.648 0.558 1.00 . A A . 16 LYS N 1 1 10 3487 1 1 16 LYS NZ N 7.592 5.585 3.262 1.00 . A A . 16 LYS NZ 1 1 10 3488 1 1 16 LYS O O 10.523 -0.104 2.374 1.00 . A A . 16 LYS O 1 1 10 3489 1 1 17 ILE C C 9.639 -3.193 2.143 1.00 . A A . 17 ILE C 1 1 10 3490 1 1 17 ILE CA C 9.022 -2.262 3.189 1.00 . A A . 17 ILE CA 1 1 10 3491 1 1 17 ILE CB C 7.878 -3.020 3.930 1.00 . A A . 17 ILE CB 1 1 10 3492 1 1 17 ILE CD1 C 6.016 -2.724 5.665 1.00 . A A . 17 ILE CD1 1 1 10 3493 1 1 17 ILE CG1 C 7.220 -2.111 4.980 1.00 . A A . 17 ILE CG1 1 1 10 3494 1 1 17 ILE CG2 C 8.407 -4.300 4.585 1.00 . A A . 17 ILE CG2 1 1 10 3495 1 1 17 ILE H H 7.551 -0.975 2.379 1.00 . A A . 17 ILE H 1 1 10 3496 1 1 17 ILE HA H 9.776 -1.981 3.908 1.00 . A A . 17 ILE HA 1 1 10 3497 1 1 17 ILE HB H 7.136 -3.302 3.197 1.00 . A A . 17 ILE HB 1 1 10 3498 1 1 17 ILE HD11 H 5.264 -2.949 4.925 1.00 . A A . 17 ILE HD11 1 1 10 3499 1 1 17 ILE HD12 H 5.618 -2.028 6.388 1.00 . A A . 17 ILE HD12 1 1 10 3500 1 1 17 ILE HD13 H 6.312 -3.636 6.165 1.00 . A A . 17 ILE HD13 1 1 10 3501 1 1 17 ILE HG12 H 7.945 -1.884 5.748 1.00 . A A . 17 ILE HG12 1 1 10 3502 1 1 17 ILE HG13 H 6.905 -1.194 4.505 1.00 . A A . 17 ILE HG13 1 1 10 3503 1 1 17 ILE HG21 H 7.599 -4.808 5.091 1.00 . A A . 17 ILE HG21 1 1 10 3504 1 1 17 ILE HG22 H 9.174 -4.042 5.298 1.00 . A A . 17 ILE HG22 1 1 10 3505 1 1 17 ILE HG23 H 8.824 -4.947 3.827 1.00 . A A . 17 ILE HG23 1 1 10 3506 1 1 17 ILE N N 8.515 -1.062 2.546 1.00 . A A . 17 ILE N 1 1 10 3507 1 1 17 ILE O O 10.787 -3.643 2.270 1.00 . A A . 17 ILE O 1 1 10 3508 1 1 18 PHE C C 9.499 -3.593 -1.243 1.00 . A A . 18 PHE C 1 1 10 3509 1 1 18 PHE CA C 9.246 -4.344 0.063 1.00 . A A . 18 PHE CA 1 1 10 3510 1 1 18 PHE CB C 8.077 -5.350 -0.041 1.00 . A A . 18 PHE CB 1 1 10 3511 1 1 18 PHE CD1 C 9.203 -7.342 -1.081 1.00 . A A . 18 PHE CD1 1 1 10 3512 1 1 18 PHE CD2 C 7.181 -6.543 -2.044 1.00 . A A . 18 PHE CD2 1 1 10 3513 1 1 18 PHE CE1 C 9.248 -8.353 -2.020 1.00 . A A . 18 PHE CE1 1 1 10 3514 1 1 18 PHE CE2 C 7.225 -7.547 -2.984 1.00 . A A . 18 PHE CE2 1 1 10 3515 1 1 18 PHE CG C 8.171 -6.424 -1.085 1.00 . A A . 18 PHE CG 1 1 10 3516 1 1 18 PHE CZ C 8.260 -8.455 -2.973 1.00 . A A . 18 PHE CZ 1 1 10 3517 1 1 18 PHE H H 8.075 -2.899 0.958 1.00 . A A . 18 PHE H 1 1 10 3518 1 1 18 PHE HA H 10.140 -4.875 0.352 1.00 . A A . 18 PHE HA 1 1 10 3519 1 1 18 PHE HB2 H 7.977 -5.852 0.909 1.00 . A A . 18 PHE HB2 1 1 10 3520 1 1 18 PHE HB3 H 7.171 -4.787 -0.220 1.00 . A A . 18 PHE HB3 1 1 10 3521 1 1 18 PHE HD1 H 9.985 -7.263 -0.339 1.00 . A A . 18 PHE HD1 1 1 10 3522 1 1 18 PHE HD2 H 6.366 -5.831 -2.056 1.00 . A A . 18 PHE HD2 1 1 10 3523 1 1 18 PHE HE1 H 10.059 -9.067 -2.011 1.00 . A A . 18 PHE HE1 1 1 10 3524 1 1 18 PHE HE2 H 6.446 -7.626 -3.728 1.00 . A A . 18 PHE HE2 1 1 10 3525 1 1 18 PHE HZ H 8.294 -9.245 -3.709 1.00 . A A . 18 PHE HZ 1 1 10 3526 1 1 18 PHE N N 8.908 -3.408 1.096 1.00 . A A . 18 PHE N 1 1 10 3527 1 1 18 PHE O O 8.573 -3.137 -1.906 1.00 . A A . 18 PHE O 1 1 10 3528 1 1 19 LYS C C 11.675 -3.671 -3.783 1.00 . A A . 19 LYS C 1 1 10 3529 1 1 19 LYS CA C 11.137 -2.707 -2.745 1.00 . A A . 19 LYS CA 1 1 10 3530 1 1 19 LYS CB C 12.131 -1.539 -2.446 1.00 . A A . 19 LYS CB 1 1 10 3531 1 1 19 LYS CD C 13.397 -2.310 -0.310 1.00 . A A . 19 LYS CD 1 1 10 3532 1 1 19 LYS CE C 12.832 -1.199 0.562 1.00 . A A . 19 LYS CE 1 1 10 3533 1 1 19 LYS CG C 13.487 -1.894 -1.787 1.00 . A A . 19 LYS CG 1 1 10 3534 1 1 19 LYS H H 11.474 -3.806 -1.031 1.00 . A A . 19 LYS H 1 1 10 3535 1 1 19 LYS HA H 10.225 -2.290 -3.145 1.00 . A A . 19 LYS HA 1 1 10 3536 1 1 19 LYS HB2 H 12.355 -1.051 -3.383 1.00 . A A . 19 LYS HB2 1 1 10 3537 1 1 19 LYS HB3 H 11.625 -0.824 -1.814 1.00 . A A . 19 LYS HB3 1 1 10 3538 1 1 19 LYS HD2 H 12.776 -3.187 -0.208 1.00 . A A . 19 LYS HD2 1 1 10 3539 1 1 19 LYS HD3 H 14.392 -2.549 0.036 1.00 . A A . 19 LYS HD3 1 1 10 3540 1 1 19 LYS HE2 H 13.443 -0.315 0.447 1.00 . A A . 19 LYS HE2 1 1 10 3541 1 1 19 LYS HE3 H 11.824 -0.979 0.241 1.00 . A A . 19 LYS HE3 1 1 10 3542 1 1 19 LYS HG2 H 13.935 -2.703 -2.341 1.00 . A A . 19 LYS HG2 1 1 10 3543 1 1 19 LYS HG3 H 14.125 -1.028 -1.865 1.00 . A A . 19 LYS HG3 1 1 10 3544 1 1 19 LYS HZ1 H 12.327 -2.487 2.147 1.00 . A A . 19 LYS HZ1 1 1 10 3545 1 1 19 LYS HZ2 H 12.251 -0.855 2.511 1.00 . A A . 19 LYS HZ2 1 1 10 3546 1 1 19 LYS HZ3 H 13.756 -1.598 2.406 1.00 . A A . 19 LYS HZ3 1 1 10 3547 1 1 19 LYS N N 10.754 -3.421 -1.569 1.00 . A A . 19 LYS N 1 1 10 3548 1 1 19 LYS NZ N 12.802 -1.574 1.994 1.00 . A A . 19 LYS NZ 1 1 10 3549 1 1 19 LYS O O 11.027 -3.861 -4.820 1.00 . A A . 19 LYS O 1 1 10 3550 1 1 19 LYS OXT O 12.704 -4.319 -3.527 1.00 . A A . 19 LYS OXT 1 1 stop_ save_
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