NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
425536 | 2gmd | 6437 | cing | 4-filtered-FRED | STAR | entry | full | 90 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2gmd # This FRED archive file contains, for PDB entry <2gmd>: # # - 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, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend, # JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with # curated sets of experimental NMR restraints for over 4,000 protein and nucleic # acid PDB entries. (in preparation) save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_2gmd _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2gmd _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 1716.13 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 $LACTOFERRIN_BASED_SYNTHETIC_PEPTIDE_C12_LF11 A . 1 1 2 . 2 $LAURIC_ACID B . 1 1 stop_ loop_ _PDBX_nonpoly_scheme.Entity_assembly_ID _PDBX_nonpoly_scheme.Entity_ID _PDBX_nonpoly_scheme.Mon_ID _PDBX_nonpoly_scheme.Comp_index_ID _PDBX_nonpoly_scheme.Comp_ID _PDBX_nonpoly_scheme.Entry_ID _PDBX_nonpoly_scheme.Assembly_ID 2 2 DAO 1 DAO 1 1 stop_ save_ save_LACTOFERRIN_BASED_SYNTHETIC_PEPTIDE_C12_LF11 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "LACTOFERRIN BASED SYNTHETIC PEPTIDE C12 LF11" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code FQWQRNIRKVRX _Entity.Number_of_monomers 12 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 PHE . 1 1 2 GLN . 1 1 3 TRP . 1 1 4 GLN . 1 1 5 ARG . 1 1 6 ASN . 1 1 7 ILE . 1 1 8 ARG . 1 1 9 LYS . 1 1 10 VAL . 1 1 11 ARG . 1 1 12 NH2 $NH2 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID PHE 1 1 1 1 GLN 2 2 1 1 TRP 3 3 1 1 GLN 4 4 1 1 ARG 5 5 1 1 ASN 6 6 1 1 ILE 7 7 1 1 ARG 8 8 1 1 LYS 9 9 1 1 VAL 10 10 1 1 ARG 11 11 1 1 NH2 12 12 1 1 stop_ save_ save_LAURIC_ACID _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 2 _Entity.Name "LAURIC ACID" _Entity.Type non-polymer loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 DAO $DAO 1 2 stop_ save_ save_DAO _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID DAO _Chem_comp.Type non-polymer save_ save_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID NH2 _Chem_comp.Type non-polymer save_ save_Discover_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 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 1 PHE HA 1 1 PHM HA 1 1 1 1 2 1 1 1 PHE QE 1 1 PHM HE* 1 1 2 1 1 1 1 1 PHE HA 1 1 PHM HA 1 1 2 1 2 1 1 3 TRP H 1 3 TRP HN 1 1 3 1 1 1 1 1 PHE QB 1 1 PHM HB* 1 1 3 1 2 1 1 3 TRP H 1 3 TRP HN 1 1 4 1 1 1 1 1 PHE HB2 1 1 PHM HB2 1 1 4 1 2 1 1 2 GLN H 1 2 GLN HN 1 1 5 1 1 1 1 1 PHE HB3 1 1 PHM HB1 1 1 5 1 2 1 1 2 GLN H 1 2 GLN HN 1 1 6 1 1 1 1 1 PHE QE 1 1 PHM HE* 1 1 6 1 2 1 1 2 GLN H 1 2 GLN HN 1 1 7 1 1 1 1 2 GLN H 1 2 GLN HN 1 1 7 1 2 1 1 2 GLN QB 1 2 GLN HB* 1 1 8 1 1 1 1 2 GLN H 1 2 GLN HN 1 1 8 1 2 1 1 2 GLN QG 1 2 GLN HG* 1 1 9 1 1 1 1 2 GLN H 1 2 GLN HN 1 1 9 1 2 1 1 3 TRP H 1 3 TRP HN 1 1 10 1 1 1 1 2 GLN HA 1 2 GLN HA 1 1 10 1 2 1 1 3 TRP H 1 3 TRP HN 1 1 11 1 1 1 1 2 GLN QB 1 2 GLN HB* 1 1 11 1 2 1 1 3 TRP HE3 1 3 TRP HE3 1 1 12 1 1 1 1 2 GLN QG 1 2 GLN HG* 1 1 12 1 2 1 1 3 TRP H 1 3 TRP HN 1 1 13 1 1 1 1 3 TRP H 1 3 TRP HN 1 1 13 1 2 1 1 3 TRP HB3 1 3 TRP HB2 1 1 14 1 1 1 1 3 TRP H 1 3 TRP HN 1 1 14 1 2 1 1 3 TRP HD1 1 3 TRP HD1 1 1 15 1 1 1 1 3 TRP HA 1 3 TRP HA 1 1 15 1 2 1 1 3 TRP HB2 1 3 TRP HB1 1 1 16 1 1 1 1 3 TRP HA 1 3 TRP HA 1 1 16 1 2 1 1 3 TRP HB3 1 3 TRP HB2 1 1 17 1 1 1 1 3 TRP QB 1 3 TRP HB* 1 1 17 1 2 1 1 5 ARG H 1 5 ARG+ HN 1 1 18 1 1 1 1 3 TRP HB2 1 3 TRP HB1 1 1 18 1 2 1 1 4 GLN H 1 4 GLN HN 1 1 19 1 1 1 1 3 TRP HB3 1 3 TRP HB2 1 1 19 1 2 1 1 4 GLN H 1 4 GLN HN 1 1 20 1 1 1 1 3 TRP HD1 1 3 TRP HD1 1 1 20 1 2 1 1 7 ILE HA 1 7 ILE HA 1 1 21 1 1 1 1 3 TRP HE1 1 3 TRP HE1 1 1 21 1 2 1 1 5 ARG HA 1 5 ARG+ HA 1 1 22 1 1 1 1 3 TRP HZ2 1 3 TRP HZ2 1 1 22 1 2 1 1 7 ILE HA 1 7 ILE HA 1 1 23 1 1 1 1 3 TRP HZ2 1 3 TRP HZ2 1 1 23 1 2 1 1 7 ILE MD 1 7 ILE HD1* 1 1 24 1 1 1 1 3 TRP HZ3 1 3 TRP HZ3 1 1 24 1 2 1 1 7 ILE MD 1 7 ILE HD1* 1 1 25 1 1 1 1 4 GLN H 1 4 GLN HN 1 1 25 1 2 1 1 4 GLN QB 1 4 GLN HB* 1 1 26 1 1 1 1 4 GLN H 1 4 GLN HN 1 1 26 1 2 1 1 4 GLN QE 1 4 GLN HE2* 1 1 27 1 1 1 1 4 GLN H 1 4 GLN HN 1 1 27 1 2 1 1 4 GLN HG2 1 4 GLN HG2 1 1 28 1 1 1 1 4 GLN H 1 4 GLN HN 1 1 28 1 2 1 1 4 GLN HG3 1 4 GLN HG1 1 1 29 1 1 1 1 4 GLN HA 1 4 GLN HA 1 1 29 1 2 1 1 4 GLN QE 1 4 GLN HE2* 1 1 30 1 1 1 1 4 GLN HA 1 4 GLN HA 1 1 30 1 2 1 1 5 ARG H 1 5 ARG+ HN 1 1 31 1 1 1 1 4 GLN QB 1 4 GLN HB* 1 1 31 1 2 1 1 5 ARG H 1 5 ARG+ HN 1 1 32 1 1 1 1 4 GLN HB2 1 4 GLN HB2 1 1 32 1 2 1 1 4 GLN HE21 1 4 GLN HE21 1 1 33 1 1 1 1 4 GLN HB3 1 4 GLN HB1 1 1 33 1 2 1 1 4 GLN HE21 1 4 GLN HE21 1 1 34 1 1 1 1 4 GLN QE 1 4 GLN HE2* 1 1 34 1 2 1 1 5 ARG QB 1 5 ARG+ HB* 1 1 35 1 1 1 1 4 GLN QE 1 4 GLN HE2* 1 1 35 1 2 1 1 5 ARG QG 1 5 ARG+ HG* 1 1 36 1 1 1 1 4 GLN HE21 1 4 GLN HE21 1 1 36 1 2 1 1 5 ARG HB2 1 5 ARG+ HB2 1 1 37 1 1 1 1 4 GLN HE21 1 4 GLN HE21 1 1 37 1 2 1 1 5 ARG HB3 1 5 ARG+ HB1 1 1 38 1 1 1 1 4 GLN HE22 1 4 GLN HE22 1 1 38 1 2 1 1 5 ARG HB2 1 5 ARG+ HB2 1 1 39 1 1 1 1 4 GLN HE22 1 4 GLN HE22 1 1 39 1 2 1 1 5 ARG HB3 1 5 ARG+ HB1 1 1 40 1 1 1 1 4 GLN QG 1 4 GLN HG* 1 1 40 1 2 1 1 5 ARG H 1 5 ARG+ HN 1 1 41 1 1 1 1 4 GLN HG2 1 4 GLN HG2 1 1 41 1 2 1 1 5 ARG H 1 5 ARG+ HN 1 1 42 1 1 1 1 4 GLN HG3 1 4 GLN HG1 1 1 42 1 2 1 1 5 ARG H 1 5 ARG+ HN 1 1 43 1 1 1 1 5 ARG H 1 5 ARG+ HN 1 1 43 1 2 1 1 5 ARG QB 1 5 ARG+ HB* 1 1 44 1 1 1 1 5 ARG H 1 5 ARG+ HN 1 1 44 1 2 1 1 6 ASN H 1 6 ASN HN 1 1 45 1 1 1 1 5 ARG HA 1 5 ARG+ HA 1 1 45 1 2 1 1 5 ARG HE 1 5 ARG+ HE 1 1 46 1 1 1 1 5 ARG HA 1 5 ARG+ HA 1 1 46 1 2 1 1 5 ARG QG 1 5 ARG+ HG* 1 1 47 1 1 1 1 5 ARG HA 1 5 ARG+ HA 1 1 47 1 2 1 1 6 ASN H 1 6 ASN HN 1 1 48 1 1 1 1 5 ARG QB 1 5 ARG+ HB* 1 1 48 1 2 1 1 5 ARG HE 1 5 ARG+ HE 1 1 49 1 1 1 1 5 ARG QB 1 5 ARG+ HB* 1 1 49 1 2 1 1 6 ASN H 1 6 ASN HN 1 1 50 1 1 1 1 5 ARG QG 1 5 ARG+ HG* 1 1 50 1 2 1 1 6 ASN H 1 6 ASN HN 1 1 51 1 1 1 1 6 ASN H 1 6 ASN HN 1 1 51 1 2 1 1 6 ASN HB2 1 6 ASN HB2 1 1 52 1 1 1 1 6 ASN H 1 6 ASN HN 1 1 52 1 2 1 1 6 ASN HB3 1 6 ASN HB1 1 1 53 1 1 1 1 6 ASN HA 1 6 ASN HA 1 1 53 1 2 1 1 7 ILE H 1 7 ILE HN 1 1 54 1 1 1 1 6 ASN HB2 1 6 ASN HB2 1 1 54 1 2 1 1 7 ILE H 1 7 ILE HN 1 1 55 1 1 1 1 6 ASN HB3 1 6 ASN HB1 1 1 55 1 2 1 1 7 ILE H 1 7 ILE HN 1 1 56 1 1 1 1 7 ILE H 1 7 ILE HN 1 1 56 1 2 1 1 7 ILE HB 1 7 ILE HB 1 1 57 1 1 1 1 7 ILE H 1 7 ILE HN 1 1 57 1 2 1 1 7 ILE MD 1 7 ILE HD1* 1 1 58 1 1 1 1 7 ILE H 1 7 ILE HN 1 1 58 1 2 1 1 7 ILE HG12 1 7 ILE HG12 1 1 59 1 1 1 1 7 ILE H 1 7 ILE HN 1 1 59 1 2 1 1 7 ILE HG13 1 7 ILE HG11 1 1 60 1 1 1 1 7 ILE H 1 7 ILE HN 1 1 60 1 2 1 1 7 ILE MG 1 7 ILE HG2* 1 1 61 1 1 1 1 7 ILE H 1 7 ILE HN 1 1 61 1 2 1 1 8 ARG QG 1 8 ARG+ HG* 1 1 62 1 1 1 1 7 ILE HA 1 7 ILE HA 1 1 62 1 2 1 1 7 ILE QG 1 7 ILE HG1* 1 1 63 1 1 1 1 7 ILE HB 1 7 ILE HB 1 1 63 1 2 1 1 7 ILE QG 1 7 ILE HG1* 1 1 64 1 1 1 1 7 ILE HB 1 7 ILE HB 1 1 64 1 2 1 1 8 ARG H 1 8 ARG+ HN 1 1 65 1 1 1 1 7 ILE QG 1 7 ILE HG1* 1 1 65 1 2 1 1 8 ARG H 1 8 ARG+ HN 1 1 66 1 1 1 1 7 ILE MG 1 7 ILE HG2* 1 1 66 1 2 1 1 8 ARG H 1 8 ARG+ HN 1 1 67 1 1 1 1 7 ILE MG 1 7 ILE HG2* 1 1 67 1 2 1 1 8 ARG QD 1 8 ARG+ HD* 1 1 68 1 1 1 1 8 ARG H 1 8 ARG+ HN 1 1 68 1 2 1 1 8 ARG QD 1 8 ARG+ HD* 1 1 69 1 1 1 1 8 ARG H 1 8 ARG+ HN 1 1 69 1 2 1 1 8 ARG HG2 1 8 ARG+ HG2 1 1 70 1 1 1 1 8 ARG H 1 8 ARG+ HN 1 1 70 1 2 1 1 8 ARG HG3 1 8 ARG+ HG1 1 1 71 1 1 1 1 8 ARG HA 1 8 ARG+ HA 1 1 71 1 2 1 1 8 ARG HE 1 8 ARG+ HE 1 1 72 1 1 1 1 8 ARG HA 1 8 ARG+ HA 1 1 72 1 2 1 1 8 ARG QG 1 8 ARG+ HG* 1 1 73 1 1 1 1 8 ARG HA 1 8 ARG+ HA 1 1 73 1 2 1 1 9 LYS H 1 9 LYS+ HN 1 1 74 1 1 1 1 8 ARG QB 1 8 ARG+ HB* 1 1 74 1 2 1 1 8 ARG HE 1 8 ARG+ HE 1 1 75 1 1 1 1 8 ARG HB2 1 8 ARG+ HB2 1 1 75 1 2 1 1 8 ARG HE 1 8 ARG+ HE 1 1 76 1 1 1 1 8 ARG HB3 1 8 ARG+ HB1 1 1 76 1 2 1 1 8 ARG HE 1 8 ARG+ HE 1 1 77 1 1 1 1 8 ARG QD 1 8 ARG+ HD* 1 1 77 1 2 1 1 11 ARG QD 1 11 ARG+ HD* 1 1 78 1 1 1 1 8 ARG HE 1 8 ARG+ HE 1 1 78 1 2 1 1 8 ARG QG 1 8 ARG+ HG* 1 1 79 1 1 1 1 9 LYS H 1 9 LYS+ HN 1 1 79 1 2 1 1 9 LYS QD 1 9 LYS+ HD* 1 1 80 1 1 1 1 9 LYS H 1 9 LYS+ HN 1 1 80 1 2 1 1 9 LYS QG 1 9 LYS+ HG* 1 1 81 1 1 1 1 9 LYS HA 1 9 LYS+ HA 1 1 81 1 2 1 1 9 LYS QB 1 9 LYS+ HB* 1 1 82 1 1 1 1 9 LYS HA 1 9 LYS+ HA 1 1 82 1 2 1 1 10 VAL H 1 10 VAL HN 1 1 83 1 1 1 1 9 LYS HA 1 9 LYS+ HA 1 1 83 1 2 1 1 10 VAL MG1 1 10 VAL HG1* 1 1 84 1 1 1 1 9 LYS HA 1 9 LYS+ HA 1 1 84 1 2 1 1 10 VAL MG2 1 10 VAL HG2* 1 1 85 1 1 1 1 9 LYS QB 1 9 LYS+ HB* 1 1 85 1 2 1 1 9 LYS QE 1 9 LYS+ HE* 1 1 86 1 1 1 1 10 VAL H 1 10 VAL HN 1 1 86 1 2 1 1 10 VAL MG1 1 10 VAL HG1* 1 1 87 1 1 1 1 10 VAL H 1 10 VAL HN 1 1 87 1 2 1 1 10 VAL MG2 1 10 VAL HG2* 1 1 88 1 1 1 1 10 VAL HB 1 10 VAL HB 1 1 88 1 2 1 1 11 ARG H 1 11 ARG+ HN 1 1 89 1 1 1 1 10 VAL QG 1 10 VAL HG* 1 1 89 1 2 1 1 11 ARG H 1 11 ARG+ HN 1 1 90 1 1 1 1 11 ARG HA 1 11 ARG+ HA 1 1 90 1 2 1 1 11 ARG QD 1 11 ARG+ HD* 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 . . . . . 6.0 1.9 6.0 1 1 2 1 . . . . . 5.0 1.9 5.0 1 1 3 1 . . . . . 5.87 1.9 5.87 1 1 4 1 . . . . . 3.5 1.9 3.5 1 1 5 1 . . . . . 3.5 1.9 3.5 1 1 6 1 . . . . . 6.0 1.9 6.0 1 1 7 1 . . . . . 3.77 1.9 3.77 1 1 8 1 . . . . . 4.5 1.9 4.5 1 1 9 1 . . . . . 3.5 1.9 3.5 1 1 10 1 . . . . . 3.5 1.9 3.5 1 1 11 1 . . . . . 4.38 1.9 4.38 1 1 12 1 . . . . . 4.5 1.9 4.5 1 1 13 1 . . . . . 3.5 1.9 3.5 1 1 14 1 . . . . . 5.0 1.9 5.0 1 1 15 1 . . . . . 2.5 1.9 2.5 1 1 16 1 . . . . . 2.5 1.9 2.5 1 1 17 1 . . . . . 5.88 1.9 5.88 1 1 18 1 . . . . . 3.5 1.9 3.5 1 1 19 1 . . . . . 3.5 1.9 3.5 1 1 20 1 . . . . . 3.5 1.9 3.5 1 1 21 1 . . . . . 5.0 1.9 5.0 1 1 22 1 . . . . . 5.0 1.9 5.0 1 1 23 1 . . . . . 6.0 1.9 6.0 1 1 24 1 . . . . . 6.0 1.9 6.0 1 1 25 1 . . . . . 3.77 1.9 3.77 1 1 26 1 . . . . . 5.87 1.9 5.87 1 1 27 1 . . . . . 3.5 1.9 3.5 1 1 28 1 . . . . . 3.5 1.9 3.5 1 1 29 1 . . . . . 4.37 1.9 4.37 1 1 30 1 . . . . . 3.5 1.9 3.5 1 1 31 1 . . . . . 4.38 1.9 4.38 1 1 32 1 . . . . . 6.73 1.9 6.73 1 1 33 1 . . . . . 6.73 1.9 6.73 1 1 34 1 . . . . . 5.8 1.9 5.8 1 1 35 1 . . . . . 6.74 1.9 6.74 1 1 36 1 . . . . . 6.73 1.9 6.73 1 1 37 1 . . . . . 6.73 1.9 6.73 1 1 38 1 . . . . . 6.73 1.9 6.73 1 1 39 1 . . . . . 6.73 1.9 6.73 1 1 40 1 . . . . . 4.23 1.9 4.23 1 1 41 1 . . . . . 5.0 1.9 5.0 1 1 42 1 . . . . . 5.0 1.9 5.0 1 1 43 1 . . . . . 3.77 1.9 3.77 1 1 44 1 . . . . . 3.5 1.9 3.5 1 1 45 1 . . . . . 3.5 1.9 3.5 1 1 46 1 . . . . . 3.82 1.9 3.82 1 1 47 1 . . . . . 3.5 1.9 3.5 1 1 48 1 . . . . . 4.38 1.9 4.38 1 1 49 1 . . . . . 4.38 1.9 4.38 1 1 50 1 . . . . . 4.38 1.9 4.38 1 1 51 1 . . . . . 3.5 1.9 3.5 1 1 52 1 . . . . . 3.5 1.9 3.5 1 1 53 1 . . . . . 2.5 1.9 2.5 1 1 54 1 . . . . . 5.0 1.9 5.0 1 1 55 1 . . . . . 5.0 1.9 5.0 1 1 56 1 . . . . . 3.5 1.9 3.5 1 1 57 1 . . . . . 6.0 1.9 6.0 1 1 58 1 . . . . . 3.5 1.9 3.5 1 1 59 1 . . . . . 3.5 1.9 3.5 1 1 60 1 . . . . . 4.5 1.9 4.5 1 1 61 1 . . . . . 4.38 1.9 4.38 1 1 62 1 . . . . . 3.38 1.9 3.38 1 1 63 1 . . . . . 2.64 1.9 2.64 1 1 64 1 . . . . . 5.0 1.9 5.0 1 1 65 1 . . . . . 4.38 1.9 4.38 1 1 66 1 . . . . . 4.5 1.9 4.5 1 1 67 1 . . . . . 7.0 1.9 7.0 1 1 68 1 . . . . . 6.0 1.9 6.0 1 1 69 1 . . . . . 5.0 1.9 5.0 1 1 70 1 . . . . . 5.0 1.9 5.0 1 1 71 1 . . . . . 3.5 1.9 3.5 1 1 72 1 . . . . . 3.82 1.9 3.82 1 1 73 1 . . . . . 3.5 1.9 3.5 1 1 74 1 . . . . . 4.23 1.9 4.23 1 1 75 1 . . . . . 5.0 1.9 5.0 1 1 76 1 . . . . . 5.0 1.9 5.0 1 1 77 1 . . . . . 5.38 1.9 5.38 1 1 78 1 . . . . . 3.79 1.9 3.79 1 1 79 1 . . . . . 6.0 1.9 6.0 1 1 80 1 . . . . . 4.5 1.9 4.5 1 1 81 1 . . . . . 2.64 1.9 2.64 1 1 82 1 . . . . . 2.5 1.9 2.5 1 1 83 1 . . . . . 6.0 1.9 6.0 1 1 84 1 . . . . . 6.0 1.9 6.0 1 1 85 1 . . . . . 6.88 1.9 6.88 1 1 86 1 . . . . . 4.5 1.9 4.5 1 1 87 1 . . . . . 4.5 1.9 4.5 1 1 88 1 . . . . . 3.5 1.9 3.5 1 1 89 1 . . . . . 6.06 1.9 6.06 1 1 90 1 . . . . . 4.38 1.9 4.38 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 PHE C C 2.877 0.465 -1.164 1.00 . A A . 1 PHE C 1 1 1 2 1 1 1 PHE CA C 2.568 1.406 0.043 1.00 . A A . 1 PHE CA 1 1 1 3 1 1 1 PHE CB C 3.817 1.647 0.958 1.00 . A A . 1 PHE CB 1 1 1 4 1 1 1 PHE CD1 C 3.208 3.566 2.534 1.00 . A A . 1 PHE CD1 1 1 1 5 1 1 1 PHE CD2 C 3.620 1.379 3.474 1.00 . A A . 1 PHE CD2 1 1 1 6 1 1 1 PHE CE1 C 2.883 4.045 3.801 1.00 . A A . 1 PHE CE1 1 1 1 7 1 1 1 PHE CE2 C 3.297 1.859 4.739 1.00 . A A . 1 PHE CE2 1 1 1 8 1 1 1 PHE CG C 3.575 2.228 2.363 1.00 . A A . 1 PHE CG 1 1 1 9 1 1 1 PHE CZ C 2.928 3.193 4.903 1.00 . A A . 1 PHE CZ 1 1 1 10 1 1 1 PHE H1 H 1.424 1.222 1.778 1.00 . A A . 1 PHE H1 1 1 1 11 1 1 1 PHE HA H 2.296 2.394 -0.379 1.00 . A A . 1 PHE HA 1 1 1 12 1 1 1 PHE HB2 H 4.396 0.709 1.062 1.00 . A A . 1 PHE HB2 1 1 1 13 1 1 1 PHE HB3 H 4.517 2.310 0.417 1.00 . A A . 1 PHE HB3 1 1 1 14 1 1 1 PHE HD1 H 3.145 4.229 1.683 1.00 . A A . 1 PHE HD1 1 1 1 15 1 1 1 PHE HD2 H 3.882 0.336 3.360 1.00 . A A . 1 PHE HD2 1 1 1 16 1 1 1 PHE HE1 H 2.584 5.075 3.919 1.00 . A A . 1 PHE HE1 1 1 1 17 1 1 1 PHE HE2 H 3.324 1.187 5.584 1.00 . A A . 1 PHE HE2 1 1 1 18 1 1 1 PHE HZ H 2.671 3.565 5.885 1.00 . A A . 1 PHE HZ 1 1 1 19 1 1 1 PHE N N 1.392 0.886 0.812 1.00 . A A . 1 PHE N 1 1 1 20 1 1 1 PHE O O 2.797 0.873 -2.322 1.00 . A A . 1 PHE O 1 1 1 21 1 1 2 GLN C C 1.795 -2.429 -2.304 1.00 . A A . 2 GLN C 1 1 1 22 1 1 2 GLN CA C 3.211 -1.912 -1.878 1.00 . A A . 2 GLN CA 1 1 1 23 1 1 2 GLN CB C 4.061 -3.088 -1.308 1.00 . A A . 2 GLN CB 1 1 1 24 1 1 2 GLN CD C 6.468 -3.023 -2.326 1.00 . A A . 2 GLN CD 1 1 1 25 1 1 2 GLN CG C 5.575 -2.827 -1.096 1.00 . A A . 2 GLN CG 1 1 1 26 1 1 2 GLN H H 3.246 -0.965 0.141 1.00 . A A . 2 GLN H 1 1 1 27 1 1 2 GLN HA H 3.694 -1.553 -2.806 1.00 . A A . 2 GLN HA 1 1 1 28 1 1 2 GLN HB2 H 3.626 -3.409 -0.342 1.00 . A A . 2 GLN HB2 1 1 1 29 1 1 2 GLN HB3 H 3.949 -3.982 -1.955 1.00 . A A . 2 GLN HB3 1 1 1 30 1 1 2 GLN HE21 H 5.946 -1.247 -3.056 1.00 . A A . 2 GLN HE21 1 1 1 31 1 1 2 GLN HE22 H 7.137 -2.282 -4.014 1.00 . A A . 2 GLN HE22 1 1 1 32 1 1 2 GLN HG2 H 5.744 -1.827 -0.654 1.00 . A A . 2 GLN HG2 1 1 1 33 1 1 2 GLN HG3 H 5.935 -3.530 -0.323 1.00 . A A . 2 GLN HG3 1 1 1 34 1 1 2 GLN N N 3.201 -0.808 -0.872 1.00 . A A . 2 GLN N 1 1 1 35 1 1 2 GLN NE2 N 6.566 -2.049 -3.197 1.00 . A A . 2 GLN NE2 1 1 1 36 1 1 2 GLN O O 1.570 -2.687 -3.489 1.00 . A A . 2 GLN O 1 1 1 37 1 1 2 GLN OE1 O 7.097 -4.058 -2.512 1.00 . A A . 2 GLN OE1 1 1 1 38 1 1 3 TRP C C -1.597 -2.202 -1.935 1.00 . A A . 3 TRP C 1 1 1 39 1 1 3 TRP CA C -0.461 -3.237 -1.595 1.00 . A A . 3 TRP CA 1 1 1 40 1 1 3 TRP CB C -0.755 -4.195 -0.395 1.00 . A A . 3 TRP CB 1 1 1 41 1 1 3 TRP CD1 C -2.781 -3.661 1.092 1.00 . A A . 3 TRP CD1 1 1 1 42 1 1 3 TRP CD2 C -0.908 -2.784 1.888 1.00 . A A . 3 TRP CD2 1 1 1 43 1 1 3 TRP CE2 C -2.015 -2.356 2.666 1.00 . A A . 3 TRP CE2 1 1 1 44 1 1 3 TRP CE3 C 0.403 -2.376 2.236 1.00 . A A . 3 TRP CE3 1 1 1 45 1 1 3 TRP CG C -1.400 -3.583 0.865 1.00 . A A . 3 TRP CG 1 1 1 46 1 1 3 TRP CH2 C -0.518 -1.177 4.149 1.00 . A A . 3 TRP CH2 1 1 1 47 1 1 3 TRP CZ2 C -1.819 -1.533 3.796 1.00 . A A . 3 TRP CZ2 1 1 1 48 1 1 3 TRP CZ3 C 0.576 -1.595 3.383 1.00 . A A . 3 TRP CZ3 1 1 1 49 1 1 3 TRP H H 1.177 -2.307 -0.423 1.00 . A A . 3 TRP H 1 1 1 50 1 1 3 TRP HA H -0.376 -3.893 -2.484 1.00 . A A . 3 TRP HA 1 1 1 51 1 1 3 TRP HB2 H -1.433 -4.987 -0.768 1.00 . A A . 3 TRP HB2 1 1 1 52 1 1 3 TRP HB3 H 0.140 -4.771 -0.131 1.00 . A A . 3 TRP HB3 1 1 1 53 1 1 3 TRP HD1 H -3.434 -4.258 0.483 1.00 . A A . 3 TRP HD1 1 1 1 54 1 1 3 TRP HE1 H -4.147 -2.587 2.428 1.00 . A A . 3 TRP HE1 1 1 1 55 1 1 3 TRP HE3 H 1.248 -2.656 1.631 1.00 . A A . 3 TRP HE3 1 1 1 56 1 1 3 TRP HH2 H -0.352 -0.560 5.020 1.00 . A A . 3 TRP HH2 1 1 1 57 1 1 3 TRP HZ2 H -2.661 -1.192 4.380 1.00 . A A . 3 TRP HZ2 1 1 1 58 1 1 3 TRP HZ3 H 1.563 -1.299 3.697 1.00 . A A . 3 TRP HZ3 1 1 1 59 1 1 3 TRP N N 0.876 -2.637 -1.343 1.00 . A A . 3 TRP N 1 1 1 60 1 1 3 TRP NE1 N -3.196 -2.859 2.160 1.00 . A A . 3 TRP NE1 1 1 1 61 1 1 3 TRP O O -1.399 -0.985 -1.945 1.00 . A A . 3 TRP O 1 1 1 62 1 1 4 GLN C C -5.031 -1.993 -1.131 1.00 . A A . 4 GLN C 1 1 1 63 1 1 4 GLN CA C -4.051 -1.910 -2.362 1.00 . A A . 4 GLN CA 1 1 1 64 1 1 4 GLN CB C -4.618 -2.109 -3.805 1.00 . A A . 4 GLN CB 1 1 1 65 1 1 4 GLN CD C -5.436 -4.581 -3.706 1.00 . A A . 4 GLN CD 1 1 1 66 1 1 4 GLN CG C -4.625 -3.525 -4.450 1.00 . A A . 4 GLN CG 1 1 1 67 1 1 4 GLN H H -2.800 -3.734 -2.320 1.00 . A A . 4 GLN H 1 1 1 68 1 1 4 GLN HA H -3.775 -0.849 -2.348 1.00 . A A . 4 GLN HA 1 1 1 69 1 1 4 GLN HB2 H -5.631 -1.665 -3.866 1.00 . A A . 4 GLN HB2 1 1 1 70 1 1 4 GLN HB3 H -4.018 -1.465 -4.479 1.00 . A A . 4 GLN HB3 1 1 1 71 1 1 4 GLN HE21 H -3.765 -5.314 -2.982 1.00 . A A . 4 GLN HE21 1 1 1 72 1 1 4 GLN HE22 H -5.363 -5.887 -2.276 1.00 . A A . 4 GLN HE22 1 1 1 73 1 1 4 GLN HG2 H -5.031 -3.449 -5.465 1.00 . A A . 4 GLN HG2 1 1 1 74 1 1 4 GLN HG3 H -3.585 -3.865 -4.619 1.00 . A A . 4 GLN HG3 1 1 1 75 1 1 4 GLN N N -2.812 -2.723 -2.180 1.00 . A A . 4 GLN N 1 1 1 76 1 1 4 GLN NE2 N -4.777 -5.455 -2.993 1.00 . A A . 4 GLN NE2 1 1 1 77 1 1 4 GLN O O -4.824 -1.267 -0.155 1.00 . A A . 4 GLN O 1 1 1 78 1 1 4 GLN OE1 O -6.659 -4.548 -3.633 1.00 . A A . 4 GLN OE1 1 1 1 79 1 1 5 ARG C C -7.144 -4.521 0.471 1.00 . A A . 5 ARG C 1 1 1 80 1 1 5 ARG CA C -7.026 -3.017 0.012 1.00 . A A . 5 ARG CA 1 1 1 81 1 1 5 ARG CB C -8.352 -2.293 -0.367 1.00 . A A . 5 ARG CB 1 1 1 82 1 1 5 ARG CD C -10.621 -1.408 0.608 1.00 . A A . 5 ARG CD 1 1 1 83 1 1 5 ARG CG C -9.526 -2.490 0.626 1.00 . A A . 5 ARG CG 1 1 1 84 1 1 5 ARG CZ C -11.165 0.377 2.290 1.00 . A A . 5 ARG CZ 1 1 1 85 1 1 5 ARG H H -6.190 -3.362 -2.020 1.00 . A A . 5 ARG H 1 1 1 86 1 1 5 ARG HA H -6.654 -2.475 0.906 1.00 . A A . 5 ARG HA 1 1 1 87 1 1 5 ARG HB2 H -8.128 -1.213 -0.472 1.00 . A A . 5 ARG HB2 1 1 1 88 1 1 5 ARG HB3 H -8.684 -2.613 -1.376 1.00 . A A . 5 ARG HB3 1 1 1 89 1 1 5 ARG HD2 H -10.747 -0.980 -0.409 1.00 . A A . 5 ARG HD2 1 1 1 90 1 1 5 ARG HD3 H -11.586 -1.899 0.849 1.00 . A A . 5 ARG HD3 1 1 1 91 1 1 5 ARG HE H -9.304 -0.213 1.875 1.00 . A A . 5 ARG HE 1 1 1 92 1 1 5 ARG HG2 H -9.998 -3.459 0.372 1.00 . A A . 5 ARG HG2 1 1 1 93 1 1 5 ARG HG3 H -9.143 -2.654 1.654 1.00 . A A . 5 ARG HG3 1 1 1 94 1 1 5 ARG HH11 H -12.735 -0.222 1.271 1.00 . A A . 5 ARG HH11 1 1 1 95 1 1 5 ARG HH12 H -13.063 0.954 2.631 1.00 . A A . 5 ARG HH12 1 1 1 96 1 1 5 ARG HH21 H -9.717 1.136 3.419 1.00 . A A . 5 ARG HH21 1 1 1 97 1 1 5 ARG HH22 H -11.418 1.679 3.770 1.00 . A A . 5 ARG HH22 1 1 1 98 1 1 5 ARG N N -6.082 -2.839 -1.139 1.00 . A A . 5 ARG N 1 1 1 99 1 1 5 ARG NE N -10.282 -0.348 1.599 1.00 . A A . 5 ARG NE 1 1 1 100 1 1 5 ARG NH1 N -12.456 0.364 2.059 1.00 . A A . 5 ARG NH1 1 1 1 101 1 1 5 ARG NH2 N -10.724 1.141 3.247 1.00 . A A . 5 ARG NH2 1 1 1 102 1 1 5 ARG O O -8.219 -5.129 0.517 1.00 . A A . 5 ARG O 1 1 1 103 1 1 6 ASN C C -4.577 -6.601 2.243 1.00 . A A . 6 ASN C 1 1 1 104 1 1 6 ASN CA C -5.963 -6.452 1.537 1.00 . A A . 6 ASN CA 1 1 1 105 1 1 6 ASN CB C -6.258 -7.596 0.513 1.00 . A A . 6 ASN CB 1 1 1 106 1 1 6 ASN CG C -6.778 -8.904 1.132 1.00 . A A . 6 ASN CG 1 1 1 107 1 1 6 ASN H H -5.221 -4.463 0.850 1.00 . A A . 6 ASN H 1 1 1 108 1 1 6 ASN HA H -6.752 -6.485 2.313 1.00 . A A . 6 ASN HA 1 1 1 109 1 1 6 ASN HB2 H -6.994 -7.246 -0.235 1.00 . A A . 6 ASN HB2 1 1 1 110 1 1 6 ASN HB3 H -5.354 -7.825 -0.083 1.00 . A A . 6 ASN HB3 1 1 1 111 1 1 6 ASN HD21 H -7.826 -9.311 -0.521 1.00 . A A . 6 ASN HD21 1 1 1 112 1 1 6 ASN HD22 H -7.863 -10.529 0.855 1.00 . A A . 6 ASN HD22 1 1 1 113 1 1 6 ASN N N -6.017 -5.104 0.901 1.00 . A A . 6 ASN N 1 1 1 114 1 1 6 ASN ND2 N -7.609 -9.634 0.427 1.00 . A A . 6 ASN ND2 1 1 1 115 1 1 6 ASN O O -3.585 -6.924 1.583 1.00 . A A . 6 ASN O 1 1 1 116 1 1 6 ASN OD1 O -6.465 -9.282 2.256 1.00 . A A . 6 ASN OD1 1 1 1 117 1 1 7 ILE C C -2.900 -7.860 4.795 1.00 . A A . 7 ILE C 1 1 1 118 1 1 7 ILE CA C -3.185 -6.390 4.311 1.00 . A A . 7 ILE CA 1 1 1 119 1 1 7 ILE CB C -3.046 -5.352 5.506 1.00 . A A . 7 ILE CB 1 1 1 120 1 1 7 ILE CD1 C -3.697 -2.984 6.521 1.00 . A A . 7 ILE CD1 1 1 1 121 1 1 7 ILE CG1 C -3.936 -4.073 5.458 1.00 . A A . 7 ILE CG1 1 1 1 122 1 1 7 ILE CG2 C -1.546 -5.018 5.688 1.00 . A A . 7 ILE CG2 1 1 1 123 1 1 7 ILE H H -5.350 -6.070 4.043 1.00 . A A . 7 ILE H 1 1 1 124 1 1 7 ILE HA H -2.398 -6.128 3.567 1.00 . A A . 7 ILE HA 1 1 1 125 1 1 7 ILE HB H -3.358 -5.848 6.442 1.00 . A A . 7 ILE HB 1 1 1 126 1 1 7 ILE HD11 H -3.815 -3.364 7.549 1.00 . A A . 7 ILE HD11 1 1 1 127 1 1 7 ILE HD12 H -2.681 -2.553 6.445 1.00 . A A . 7 ILE HD12 1 1 1 128 1 1 7 ILE HD13 H -4.398 -2.139 6.394 1.00 . A A . 7 ILE HD13 1 1 1 129 1 1 7 ILE HG12 H -3.843 -3.609 4.470 1.00 . A A . 7 ILE HG12 1 1 1 130 1 1 7 ILE HG13 H -4.999 -4.374 5.516 1.00 . A A . 7 ILE HG13 1 1 1 131 1 1 7 ILE HG21 H -1.356 -4.440 6.609 1.00 . A A . 7 ILE HG21 1 1 1 132 1 1 7 ILE HG22 H -0.925 -5.930 5.758 1.00 . A A . 7 ILE HG22 1 1 1 133 1 1 7 ILE HG23 H -1.162 -4.421 4.839 1.00 . A A . 7 ILE HG23 1 1 1 134 1 1 7 ILE N N -4.487 -6.334 3.566 1.00 . A A . 7 ILE N 1 1 1 135 1 1 7 ILE O O -1.945 -8.510 4.369 1.00 . A A . 7 ILE O 1 1 1 136 1 1 8 ARG C C -4.429 -10.716 5.062 1.00 . A A . 8 ARG C 1 1 1 137 1 1 8 ARG CA C -3.811 -9.775 6.144 1.00 . A A . 8 ARG CA 1 1 1 138 1 1 8 ARG CB C -4.587 -9.847 7.498 1.00 . A A . 8 ARG CB 1 1 1 139 1 1 8 ARG CD C -6.082 -8.017 8.703 1.00 . A A . 8 ARG CD 1 1 1 140 1 1 8 ARG CG C -5.952 -9.083 7.593 1.00 . A A . 8 ARG CG 1 1 1 141 1 1 8 ARG CZ C -4.811 -6.001 9.503 1.00 . A A . 8 ARG CZ 1 1 1 142 1 1 8 ARG H H -4.568 -7.743 5.836 1.00 . A A . 8 ARG H 1 1 1 143 1 1 8 ARG HA H -2.778 -10.105 6.368 1.00 . A A . 8 ARG HA 1 1 1 144 1 1 8 ARG HB2 H -4.754 -10.911 7.761 1.00 . A A . 8 ARG HB2 1 1 1 145 1 1 8 ARG HB3 H -3.905 -9.514 8.304 1.00 . A A . 8 ARG HB3 1 1 1 146 1 1 8 ARG HD2 H -7.048 -7.488 8.565 1.00 . A A . 8 ARG HD2 1 1 1 147 1 1 8 ARG HD3 H -6.145 -8.529 9.684 1.00 . A A . 8 ARG HD3 1 1 1 148 1 1 8 ARG HE H -4.085 -7.306 8.192 1.00 . A A . 8 ARG HE 1 1 1 149 1 1 8 ARG HG2 H -6.196 -8.609 6.622 1.00 . A A . 8 ARG HG2 1 1 1 150 1 1 8 ARG HG3 H -6.763 -9.825 7.708 1.00 . A A . 8 ARG HG3 1 1 1 151 1 1 8 ARG HH11 H -6.647 -6.072 10.203 1.00 . A A . 8 ARG HH11 1 1 1 152 1 1 8 ARG HH12 H -5.587 -4.732 10.854 1.00 . A A . 8 ARG HH12 1 1 1 153 1 1 8 ARG HH21 H -2.910 -5.768 8.959 1.00 . A A . 8 ARG HH21 1 1 1 154 1 1 8 ARG HH22 H -3.577 -4.593 10.175 1.00 . A A . 8 ARG HH22 1 1 1 155 1 1 8 ARG N N -3.765 -8.360 5.695 1.00 . A A . 8 ARG N 1 1 1 156 1 1 8 ARG NE N -4.941 -7.055 8.697 1.00 . A A . 8 ARG NE 1 1 1 157 1 1 8 ARG NH1 N -5.774 -5.546 10.264 1.00 . A A . 8 ARG NH1 1 1 1 158 1 1 8 ARG NH2 N -3.662 -5.387 9.535 1.00 . A A . 8 ARG NH2 1 1 1 159 1 1 8 ARG O O -5.651 -10.732 4.858 1.00 . A A . 8 ARG O 1 1 1 160 1 1 9 LYS C C -4.709 -13.710 3.757 1.00 . A A . 9 LYS C 1 1 1 161 1 1 9 LYS CA C -4.030 -12.391 3.264 1.00 . A A . 9 LYS CA 1 1 1 162 1 1 9 LYS CB C -2.827 -12.591 2.302 1.00 . A A . 9 LYS CB 1 1 1 163 1 1 9 LYS CD C -1.964 -13.460 0.041 1.00 . A A . 9 LYS CD 1 1 1 164 1 1 9 LYS CE C -2.329 -14.203 -1.258 1.00 . A A . 9 LYS CE 1 1 1 165 1 1 9 LYS CG C -3.183 -13.294 0.970 1.00 . A A . 9 LYS CG 1 1 1 166 1 1 9 LYS H H -2.588 -11.329 4.563 1.00 . A A . 9 LYS H 1 1 1 167 1 1 9 LYS HA H -4.806 -11.844 2.690 1.00 . A A . 9 LYS HA 1 1 1 168 1 1 9 LYS HB2 H -2.375 -11.605 2.070 1.00 . A A . 9 LYS HB2 1 1 1 169 1 1 9 LYS HB3 H -2.034 -13.163 2.826 1.00 . A A . 9 LYS HB3 1 1 1 170 1 1 9 LYS HD2 H -1.541 -12.460 -0.185 1.00 . A A . 9 LYS HD2 1 1 1 171 1 1 9 LYS HD3 H -1.166 -14.006 0.586 1.00 . A A . 9 LYS HD3 1 1 1 172 1 1 9 LYS HE2 H -2.755 -15.204 -1.018 1.00 . A A . 9 LYS HE2 1 1 1 173 1 1 9 LYS HE3 H -3.146 -13.665 -1.790 1.00 . A A . 9 LYS HE3 1 1 1 174 1 1 9 LYS HG2 H -3.624 -14.288 1.188 1.00 . A A . 9 LYS HG2 1 1 1 175 1 1 9 LYS HG3 H -3.982 -12.724 0.454 1.00 . A A . 9 LYS HG3 1 1 1 176 1 1 9 LYS HZ1 H -0.724 -13.421 -2.380 1.00 . A A . 9 LYS HZ1 1 1 1 177 1 1 9 LYS HZ2 H -0.365 -14.851 -1.666 1.00 . A A . 9 LYS HZ2 1 1 1 178 1 1 9 LYS HZ3 H -1.309 -14.822 -3.011 1.00 . A A . 9 LYS HZ3 1 1 1 179 1 1 9 LYS N N -3.581 -11.510 4.380 1.00 . A A . 9 LYS N 1 1 1 180 1 1 9 LYS NZ N -1.127 -14.333 -2.124 1.00 . A A . 9 LYS NZ 1 1 1 181 1 1 9 LYS O O -4.112 -14.786 3.838 1.00 . A A . 9 LYS O 1 1 1 182 1 1 10 VAL C C -8.265 -14.713 3.784 1.00 . A A . 10 VAL C 1 1 1 183 1 1 10 VAL CA C -6.890 -14.653 4.548 1.00 . A A . 10 VAL CA 1 1 1 184 1 1 10 VAL CB C -6.943 -14.549 6.126 1.00 . A A . 10 VAL CB 1 1 1 185 1 1 10 VAL CG1 C -8.331 -14.377 6.774 1.00 . A A . 10 VAL CG1 1 1 1 186 1 1 10 VAL CG2 C -6.224 -15.741 6.788 1.00 . A A . 10 VAL CG2 1 1 1 187 1 1 10 VAL H H -6.217 -12.570 4.224 1.00 . A A . 10 VAL H 1 1 1 188 1 1 10 VAL HA H -6.428 -15.625 4.276 1.00 . A A . 10 VAL HA 1 1 1 189 1 1 10 VAL HB H -6.383 -13.651 6.458 1.00 . A A . 10 VAL HB 1 1 1 190 1 1 10 VAL HG11 H -8.838 -13.472 6.390 1.00 . A A . 10 VAL HG11 1 1 1 191 1 1 10 VAL HG12 H -8.990 -15.240 6.562 1.00 . A A . 10 VAL HG12 1 1 1 192 1 1 10 VAL HG13 H -8.262 -14.264 7.871 1.00 . A A . 10 VAL HG13 1 1 1 193 1 1 10 VAL HG21 H -6.175 -15.642 7.888 1.00 . A A . 10 VAL HG21 1 1 1 194 1 1 10 VAL HG22 H -6.723 -16.702 6.562 1.00 . A A . 10 VAL HG22 1 1 1 195 1 1 10 VAL HG23 H -5.179 -15.825 6.432 1.00 . A A . 10 VAL HG23 1 1 1 196 1 1 10 VAL N N -6.004 -13.561 4.049 1.00 . A A . 10 VAL N 1 1 1 197 1 1 10 VAL O O -8.810 -15.804 3.600 1.00 . A A . 10 VAL O 1 1 1 198 1 1 11 ARG C C -10.105 -13.968 1.210 1.00 . A A . 11 ARG C 1 1 1 199 1 1 11 ARG CA C -10.173 -13.504 2.703 1.00 . A A . 11 ARG CA 1 1 1 200 1 1 11 ARG CB C -10.736 -12.056 2.797 1.00 . A A . 11 ARG CB 1 1 1 201 1 1 11 ARG CD C -9.954 -10.264 4.540 1.00 . A A . 11 ARG CD 1 1 1 202 1 1 11 ARG CG C -10.916 -11.430 4.213 1.00 . A A . 11 ARG CG 1 1 1 203 1 1 11 ARG CZ C -9.583 -7.952 3.623 1.00 . A A . 11 ARG CZ 1 1 1 204 1 1 11 ARG H H -8.279 -12.735 3.560 1.00 . A A . 11 ARG H 1 1 1 205 1 1 11 ARG HA H -10.878 -14.155 3.258 1.00 . A A . 11 ARG HA 1 1 1 206 1 1 11 ARG HB2 H -10.123 -11.391 2.156 1.00 . A A . 11 ARG HB2 1 1 1 207 1 1 11 ARG HB3 H -11.726 -12.049 2.300 1.00 . A A . 11 ARG HB3 1 1 1 208 1 1 11 ARG HD2 H -10.053 -10.001 5.614 1.00 . A A . 11 ARG HD2 1 1 1 209 1 1 11 ARG HD3 H -8.902 -10.593 4.403 1.00 . A A . 11 ARG HD3 1 1 1 210 1 1 11 ARG HE H -11.077 -9.125 3.045 1.00 . A A . 11 ARG HE 1 1 1 211 1 1 11 ARG HG2 H -11.964 -11.095 4.345 1.00 . A A . 11 ARG HG2 1 1 1 212 1 1 11 ARG HG3 H -10.802 -12.216 4.986 1.00 . A A . 11 ARG HG3 1 1 1 213 1 1 11 ARG HH11 H -8.265 -8.500 4.957 1.00 . A A . 11 ARG HH11 1 1 1 214 1 1 11 ARG HH12 H -8.087 -6.800 4.287 1.00 . A A . 11 ARG HH12 1 1 1 215 1 1 11 ARG HH21 H -10.785 -7.260 2.206 1.00 . A A . 11 ARG HH21 1 1 1 216 1 1 11 ARG HH22 H -9.402 -6.191 2.694 1.00 . A A . 11 ARG HH22 1 1 1 217 1 1 11 ARG N N -8.844 -13.566 3.368 1.00 . A A . 11 ARG N 1 1 1 218 1 1 11 ARG NE N -10.278 -9.085 3.685 1.00 . A A . 11 ARG NE 1 1 1 219 1 1 11 ARG NH1 N -8.533 -7.712 4.365 1.00 . A A . 11 ARG NH1 1 1 1 220 1 1 11 ARG NH2 N -9.969 -7.037 2.780 1.00 . A A . 11 ARG NH2 1 1 1 221 1 1 11 ARG O O -9.602 -13.277 0.325 1.00 . A A . 11 ARG O 1 1 1 222 1 1 12 NH2 HN1 H -10.447 -15.371 -0.117 1.00 . A A . 12 NH2 HN1 1 1 1 223 1 1 12 NH2 HN2 H -10.823 -15.787 1.631 1.00 . A A . 12 NH2 HN2 1 1 1 224 1 1 12 NH2 N N -10.601 -15.140 0.868 1.00 . A A . 12 NH2 N 1 1 1 225 2 2 1 DAO C1 C -0.132 1.369 0.156 1.00 . B A . 13 DAO C1 1 1 1 226 2 2 1 DAO C10 C -2.644 9.253 4.268 1.00 . B A . 13 DAO C10 1 1 1 227 2 2 1 DAO C11 C -3.050 10.729 4.425 1.00 . B A . 13 DAO C11 1 1 1 228 2 2 1 DAO C12 C -2.164 11.466 5.438 1.00 . B A . 13 DAO C12 1 1 1 229 2 2 1 DAO C2 C -1.324 0.802 0.920 1.00 . B A . 13 DAO C2 1 1 1 230 2 2 1 DAO C3 C -2.462 1.779 1.256 1.00 . B A . 13 DAO C3 1 1 1 231 2 2 1 DAO C4 C -2.114 2.678 2.456 1.00 . B A . 13 DAO C4 1 1 1 232 2 2 1 DAO C5 C -3.123 3.819 2.684 1.00 . B A . 13 DAO C5 1 1 1 233 2 2 1 DAO C6 C -2.747 4.680 3.910 1.00 . B A . 13 DAO C6 1 1 1 234 2 2 1 DAO C7 C -3.473 6.038 4.013 1.00 . B A . 13 DAO C7 1 1 1 235 2 2 1 DAO C8 C -3.028 7.065 2.945 1.00 . B A . 13 DAO C8 1 1 1 236 2 2 1 DAO C9 C -3.486 8.515 3.205 1.00 . B A . 13 DAO C9 1 1 1 237 2 2 1 DAO H101 H -2.731 8.738 5.244 1.00 . B A . 13 DAO H101 1 1 1 238 2 2 1 DAO H102 H -1.572 9.193 3.996 1.00 . B A . 13 DAO H102 1 1 1 239 2 2 1 DAO H111 H -2.992 11.245 3.447 1.00 . B A . 13 DAO H111 1 1 1 240 2 2 1 DAO H112 H -4.110 10.800 4.738 1.00 . B A . 13 DAO H112 1 1 1 241 2 2 1 DAO H121 H -2.222 11.012 6.445 1.00 . B A . 13 DAO H121 1 1 1 242 2 2 1 DAO H122 H -1.100 11.461 5.134 1.00 . B A . 13 DAO H122 1 1 1 243 2 2 1 DAO H123 H -2.466 12.525 5.541 1.00 . B A . 13 DAO H123 1 1 1 244 2 2 1 DAO H21 H -1.714 -0.042 0.342 1.00 . B A . 13 DAO H21 1 1 1 245 2 2 1 DAO H22 H -0.957 0.339 1.849 1.00 . B A . 13 DAO H22 1 1 1 246 2 2 1 DAO H31 H -2.711 2.376 0.358 1.00 . B A . 13 DAO H31 1 1 1 247 2 2 1 DAO H32 H -3.370 1.190 1.489 1.00 . B A . 13 DAO H32 1 1 1 248 2 2 1 DAO H41 H -2.033 2.037 3.354 1.00 . B A . 13 DAO H41 1 1 1 249 2 2 1 DAO H42 H -1.107 3.117 2.312 1.00 . B A . 13 DAO H42 1 1 1 250 2 2 1 DAO H51 H -4.148 3.419 2.804 1.00 . B A . 13 DAO H51 1 1 1 251 2 2 1 DAO H52 H -3.154 4.446 1.772 1.00 . B A . 13 DAO H52 1 1 1 252 2 2 1 DAO H61 H -2.949 4.094 4.828 1.00 . B A . 13 DAO H61 1 1 1 253 2 2 1 DAO H62 H -1.655 4.864 3.931 1.00 . B A . 13 DAO H62 1 1 1 254 2 2 1 DAO H71 H -4.570 5.895 3.971 1.00 . B A . 13 DAO H71 1 1 1 255 2 2 1 DAO H72 H -3.278 6.452 5.021 1.00 . B A . 13 DAO H72 1 1 1 256 2 2 1 DAO H81 H -1.927 7.044 2.826 1.00 . B A . 13 DAO H81 1 1 1 257 2 2 1 DAO H82 H -3.420 6.744 1.962 1.00 . B A . 13 DAO H82 1 1 1 258 2 2 1 DAO H91 H -4.560 8.536 3.475 1.00 . B A . 13 DAO H91 1 1 1 259 2 2 1 DAO H92 H -3.419 9.074 2.251 1.00 . B A . 13 DAO H92 1 1 1 260 2 2 1 DAO O1 O -0.258 2.106 -0.821 1.00 . B A . 13 DAO O1 1 1 2 261 1 1 1 PHE C C 2.794 -1.073 -2.021 1.00 . A A . 1 PHE C 1 1 2 262 1 1 1 PHE CA C 2.718 0.156 -1.070 1.00 . A A . 1 PHE CA 1 1 2 263 1 1 1 PHE CB C 4.129 0.606 -0.567 1.00 . A A . 1 PHE CB 1 1 2 264 1 1 1 PHE CD1 C 3.641 2.924 0.386 1.00 . A A . 1 PHE CD1 1 1 2 265 1 1 1 PHE CD2 C 4.589 1.247 1.844 1.00 . A A . 1 PHE CD2 1 1 2 266 1 1 1 PHE CE1 C 3.526 3.795 1.466 1.00 . A A . 1 PHE CE1 1 1 2 267 1 1 1 PHE CE2 C 4.479 2.120 2.921 1.00 . A A . 1 PHE CE2 1 1 2 268 1 1 1 PHE CG C 4.164 1.642 0.571 1.00 . A A . 1 PHE CG 1 1 2 269 1 1 1 PHE CZ C 3.946 3.394 2.734 1.00 . A A . 1 PHE CZ 1 1 2 270 1 1 1 PHE H1 H 2.111 0.385 0.901 1.00 . A A . 1 PHE H1 1 1 2 271 1 1 1 PHE HA H 2.324 0.996 -1.674 1.00 . A A . 1 PHE HA 1 1 2 272 1 1 1 PHE HB2 H 4.719 -0.283 -0.269 1.00 . A A . 1 PHE HB2 1 1 2 273 1 1 1 PHE HB3 H 4.695 1.008 -1.427 1.00 . A A . 1 PHE HB3 1 1 2 274 1 1 1 PHE HD1 H 3.277 3.233 -0.584 1.00 . A A . 1 PHE HD1 1 1 2 275 1 1 1 PHE HD2 H 4.974 0.252 2.013 1.00 . A A . 1 PHE HD2 1 1 2 276 1 1 1 PHE HE1 H 3.085 4.767 1.315 1.00 . A A . 1 PHE HE1 1 1 2 277 1 1 1 PHE HE2 H 4.790 1.786 3.900 1.00 . A A . 1 PHE HE2 1 1 2 278 1 1 1 PHE HZ H 3.845 4.066 3.574 1.00 . A A . 1 PHE HZ 1 1 2 279 1 1 1 PHE N N 1.771 -0.102 0.064 1.00 . A A . 1 PHE N 1 1 2 280 1 1 1 PHE O O 2.509 -0.965 -3.214 1.00 . A A . 1 PHE O 1 1 2 281 1 1 2 GLN C C 1.625 -4.042 -2.574 1.00 . A A . 2 GLN C 1 1 2 282 1 1 2 GLN CA C 3.071 -3.557 -2.176 1.00 . A A . 2 GLN CA 1 1 2 283 1 1 2 GLN CB C 3.798 -4.575 -1.246 1.00 . A A . 2 GLN CB 1 1 2 284 1 1 2 GLN CD C 5.396 -5.964 -2.798 1.00 . A A . 2 GLN CD 1 1 2 285 1 1 2 GLN CG C 4.164 -5.944 -1.876 1.00 . A A . 2 GLN CG 1 1 2 286 1 1 2 GLN H H 3.381 -2.145 -0.472 1.00 . A A . 2 GLN H 1 1 2 287 1 1 2 GLN HA H 3.646 -3.476 -3.119 1.00 . A A . 2 GLN HA 1 1 2 288 1 1 2 GLN HB2 H 4.734 -4.138 -0.840 1.00 . A A . 2 GLN HB2 1 1 2 289 1 1 2 GLN HB3 H 3.169 -4.756 -0.352 1.00 . A A . 2 GLN HB3 1 1 2 290 1 1 2 GLN HE21 H 5.598 -7.934 -2.523 1.00 . A A . 2 GLN HE21 1 1 2 291 1 1 2 GLN HE22 H 6.819 -7.061 -3.596 1.00 . A A . 2 GLN HE22 1 1 2 292 1 1 2 GLN HG2 H 4.334 -6.651 -1.043 1.00 . A A . 2 GLN HG2 1 1 2 293 1 1 2 GLN HG3 H 3.298 -6.351 -2.430 1.00 . A A . 2 GLN HG3 1 1 2 294 1 1 2 GLN N N 3.162 -2.245 -1.470 1.00 . A A . 2 GLN N 1 1 2 295 1 1 2 GLN NE2 N 5.990 -7.117 -2.997 1.00 . A A . 2 GLN NE2 1 1 2 296 1 1 2 GLN O O 1.464 -4.706 -3.600 1.00 . A A . 2 GLN O 1 1 2 297 1 1 2 GLN OE1 O 5.847 -4.966 -3.350 1.00 . A A . 2 GLN OE1 1 1 2 298 1 1 3 TRP C C -1.761 -2.938 -2.252 1.00 . A A . 3 TRP C 1 1 2 299 1 1 3 TRP CA C -0.809 -4.153 -1.976 1.00 . A A . 3 TRP CA 1 1 2 300 1 1 3 TRP CB C -1.230 -5.032 -0.754 1.00 . A A . 3 TRP CB 1 1 2 301 1 1 3 TRP CD1 C -2.969 -4.247 1.007 1.00 . A A . 3 TRP CD1 1 1 2 302 1 1 3 TRP CD2 C -0.900 -3.599 1.490 1.00 . A A . 3 TRP CD2 1 1 2 303 1 1 3 TRP CE2 C -1.804 -3.091 2.458 1.00 . A A . 3 TRP CE2 1 1 2 304 1 1 3 TRP CE3 C 0.490 -3.345 1.617 1.00 . A A . 3 TRP CE3 1 1 2 305 1 1 3 TRP CG C -1.638 -4.319 0.558 1.00 . A A . 3 TRP CG 1 1 2 306 1 1 3 TRP CH2 C 0.045 -2.119 3.673 1.00 . A A . 3 TRP CH2 1 1 2 307 1 1 3 TRP CZ2 C -1.327 -2.349 3.560 1.00 . A A . 3 TRP CZ2 1 1 2 308 1 1 3 TRP CZ3 C 0.940 -2.609 2.715 1.00 . A A . 3 TRP CZ3 1 1 2 309 1 1 3 TRP H H 0.848 -3.085 -1.011 1.00 . A A . 3 TRP H 1 1 2 310 1 1 3 TRP HA H -0.865 -4.804 -2.871 1.00 . A A . 3 TRP HA 1 1 2 311 1 1 3 TRP HB2 H -2.082 -5.659 -1.078 1.00 . A A . 3 TRP HB2 1 1 2 312 1 1 3 TRP HB3 H -0.455 -5.784 -0.553 1.00 . A A . 3 TRP HB3 1 1 2 313 1 1 3 TRP HD1 H -3.788 -4.727 0.496 1.00 . A A . 3 TRP HD1 1 1 2 314 1 1 3 TRP HE1 H -3.931 -3.280 2.738 1.00 . A A . 3 TRP HE1 1 1 2 315 1 1 3 TRP HE3 H 1.193 -3.713 0.891 1.00 . A A . 3 TRP HE3 1 1 2 316 1 1 3 TRP HH2 H 0.424 -1.561 4.517 1.00 . A A . 3 TRP HH2 1 1 2 317 1 1 3 TRP HZ2 H -2.012 -1.995 4.314 1.00 . A A . 3 TRP HZ2 1 1 2 318 1 1 3 TRP HZ3 H 1.996 -2.421 2.839 1.00 . A A . 3 TRP HZ3 1 1 2 319 1 1 3 TRP N N 0.603 -3.750 -1.749 1.00 . A A . 3 TRP N 1 1 2 320 1 1 3 TRP NE1 N -3.099 -3.475 2.174 1.00 . A A . 3 TRP NE1 1 1 2 321 1 1 3 TRP O O -1.382 -1.768 -2.169 1.00 . A A . 3 TRP O 1 1 2 322 1 1 4 GLN C C -4.588 -1.758 -1.125 1.00 . A A . 4 GLN C 1 1 2 323 1 1 4 GLN CA C -4.134 -2.233 -2.555 1.00 . A A . 4 GLN CA 1 1 2 324 1 1 4 GLN CB C -5.238 -2.856 -3.471 1.00 . A A . 4 GLN CB 1 1 2 325 1 1 4 GLN CD C -5.454 -1.198 -5.471 1.00 . A A . 4 GLN CD 1 1 2 326 1 1 4 GLN CG C -5.051 -2.600 -4.982 1.00 . A A . 4 GLN CG 1 1 2 327 1 1 4 GLN H H -3.208 -4.239 -2.698 1.00 . A A . 4 GLN H 1 1 2 328 1 1 4 GLN HA H -3.760 -1.311 -3.045 1.00 . A A . 4 GLN HA 1 1 2 329 1 1 4 GLN HB2 H -5.340 -3.946 -3.290 1.00 . A A . 4 GLN HB2 1 1 2 330 1 1 4 GLN HB3 H -6.237 -2.469 -3.199 1.00 . A A . 4 GLN HB3 1 1 2 331 1 1 4 GLN HE21 H -7.302 -1.396 -4.743 1.00 . A A . 4 GLN HE21 1 1 2 332 1 1 4 GLN HE22 H -6.822 0.208 -5.493 1.00 . A A . 4 GLN HE22 1 1 2 333 1 1 4 GLN HG2 H -3.998 -2.782 -5.265 1.00 . A A . 4 GLN HG2 1 1 2 334 1 1 4 GLN HG3 H -5.616 -3.368 -5.530 1.00 . A A . 4 GLN HG3 1 1 2 335 1 1 4 GLN N N -3.043 -3.246 -2.509 1.00 . A A . 4 GLN N 1 1 2 336 1 1 4 GLN NE2 N -6.693 -0.788 -5.298 1.00 . A A . 4 GLN NE2 1 1 2 337 1 1 4 GLN O O -3.863 -1.020 -0.457 1.00 . A A . 4 GLN O 1 1 2 338 1 1 4 GLN OE1 O -4.647 -0.440 -5.993 1.00 . A A . 4 GLN OE1 1 1 2 339 1 1 5 ARG C C -7.190 -2.867 1.297 1.00 . A A . 5 ARG C 1 1 2 340 1 1 5 ARG CA C -6.361 -1.700 0.645 1.00 . A A . 5 ARG CA 1 1 2 341 1 1 5 ARG CB C -7.045 -0.313 0.416 1.00 . A A . 5 ARG CB 1 1 2 342 1 1 5 ARG CD C -8.252 1.621 1.724 1.00 . A A . 5 ARG CD 1 1 2 343 1 1 5 ARG CG C -8.123 0.112 1.437 1.00 . A A . 5 ARG CG 1 1 2 344 1 1 5 ARG CZ C -7.745 2.750 3.913 1.00 . A A . 5 ARG CZ 1 1 2 345 1 1 5 ARG H H -6.307 -2.730 -1.323 1.00 . A A . 5 ARG H 1 1 2 346 1 1 5 ARG HA H -5.537 -1.505 1.364 1.00 . A A . 5 ARG HA 1 1 2 347 1 1 5 ARG HB2 H -6.239 0.446 0.371 1.00 . A A . 5 ARG HB2 1 1 2 348 1 1 5 ARG HB3 H -7.507 -0.267 -0.591 1.00 . A A . 5 ARG HB3 1 1 2 349 1 1 5 ARG HD2 H -7.976 2.228 0.836 1.00 . A A . 5 ARG HD2 1 1 2 350 1 1 5 ARG HD3 H -9.323 1.838 1.909 1.00 . A A . 5 ARG HD3 1 1 2 351 1 1 5 ARG HE H -6.527 1.439 3.052 1.00 . A A . 5 ARG HE 1 1 2 352 1 1 5 ARG HG2 H -9.081 -0.274 1.037 1.00 . A A . 5 ARG HG2 1 1 2 353 1 1 5 ARG HG3 H -7.997 -0.456 2.380 1.00 . A A . 5 ARG HG3 1 1 2 354 1 1 5 ARG HH11 H -9.291 3.550 3.002 1.00 . A A . 5 ARG HH11 1 1 2 355 1 1 5 ARG HH12 H -8.976 4.127 4.708 1.00 . A A . 5 ARG HH12 1 1 2 356 1 1 5 ARG HH21 H -6.210 2.101 4.993 1.00 . A A . 5 ARG HH21 1 1 2 357 1 1 5 ARG HH22 H -7.308 3.333 5.761 1.00 . A A . 5 ARG HH22 1 1 2 358 1 1 5 ARG N N -5.791 -2.141 -0.661 1.00 . A A . 5 ARG N 1 1 2 359 1 1 5 ARG NE N -7.392 1.964 2.894 1.00 . A A . 5 ARG NE 1 1 2 360 1 1 5 ARG NH1 N -8.786 3.546 3.890 1.00 . A A . 5 ARG NH1 1 1 2 361 1 1 5 ARG NH2 N -7.015 2.730 4.990 1.00 . A A . 5 ARG NH2 1 1 2 362 1 1 5 ARG O O -8.401 -2.793 1.521 1.00 . A A . 5 ARG O 1 1 2 363 1 1 6 ASN C C -5.810 -6.045 2.735 1.00 . A A . 6 ASN C 1 1 2 364 1 1 6 ASN CA C -7.024 -5.123 2.384 1.00 . A A . 6 ASN CA 1 1 2 365 1 1 6 ASN CB C -8.146 -5.870 1.583 1.00 . A A . 6 ASN CB 1 1 2 366 1 1 6 ASN CG C -9.266 -6.486 2.426 1.00 . A A . 6 ASN CG 1 1 2 367 1 1 6 ASN H H -5.522 -3.891 1.291 1.00 . A A . 6 ASN H 1 1 2 368 1 1 6 ASN HA H -7.456 -4.735 3.329 1.00 . A A . 6 ASN HA 1 1 2 369 1 1 6 ASN HB2 H -8.629 -5.200 0.847 1.00 . A A . 6 ASN HB2 1 1 2 370 1 1 6 ASN HB3 H -7.710 -6.654 0.937 1.00 . A A . 6 ASN HB3 1 1 2 371 1 1 6 ASN HD21 H -10.100 -4.706 2.605 1.00 . A A . 6 ASN HD21 1 1 2 372 1 1 6 ASN HD22 H -11.015 -6.161 3.241 1.00 . A A . 6 ASN HD22 1 1 2 373 1 1 6 ASN N N -6.483 -3.955 1.636 1.00 . A A . 6 ASN N 1 1 2 374 1 1 6 ASN ND2 N -10.169 -5.679 2.927 1.00 . A A . 6 ASN ND2 1 1 2 375 1 1 6 ASN O O -5.398 -6.858 1.902 1.00 . A A . 6 ASN O 1 1 2 376 1 1 6 ASN OD1 O -9.373 -7.693 2.616 1.00 . A A . 6 ASN OD1 1 1 2 377 1 1 7 ILE C C -4.403 -8.157 4.741 1.00 . A A . 7 ILE C 1 1 2 378 1 1 7 ILE CA C -3.978 -6.705 4.315 1.00 . A A . 7 ILE CA 1 1 2 379 1 1 7 ILE CB C -2.949 -6.008 5.310 1.00 . A A . 7 ILE CB 1 1 2 380 1 1 7 ILE CD1 C -2.356 -3.932 6.831 1.00 . A A . 7 ILE CD1 1 1 2 381 1 1 7 ILE CG1 C -3.289 -4.561 5.779 1.00 . A A . 7 ILE CG1 1 1 2 382 1 1 7 ILE CG2 C -1.507 -6.114 4.746 1.00 . A A . 7 ILE CG2 1 1 2 383 1 1 7 ILE H H -5.528 -5.120 4.501 1.00 . A A . 7 ILE H 1 1 2 384 1 1 7 ILE HA H -3.418 -6.834 3.365 1.00 . A A . 7 ILE HA 1 1 2 385 1 1 7 ILE HB H -2.915 -6.595 6.248 1.00 . A A . 7 ILE HB 1 1 2 386 1 1 7 ILE HD11 H -2.723 -2.941 7.157 1.00 . A A . 7 ILE HD11 1 1 2 387 1 1 7 ILE HD12 H -2.261 -4.563 7.734 1.00 . A A . 7 ILE HD12 1 1 2 388 1 1 7 ILE HD13 H -1.335 -3.771 6.434 1.00 . A A . 7 ILE HD13 1 1 2 389 1 1 7 ILE HG12 H -3.343 -3.894 4.902 1.00 . A A . 7 ILE HG12 1 1 2 390 1 1 7 ILE HG13 H -4.310 -4.558 6.203 1.00 . A A . 7 ILE HG13 1 1 2 391 1 1 7 ILE HG21 H -1.375 -5.513 3.828 1.00 . A A . 7 ILE HG21 1 1 2 392 1 1 7 ILE HG22 H -0.744 -5.771 5.468 1.00 . A A . 7 ILE HG22 1 1 2 393 1 1 7 ILE HG23 H -1.240 -7.157 4.490 1.00 . A A . 7 ILE HG23 1 1 2 394 1 1 7 ILE N N -5.203 -5.911 3.937 1.00 . A A . 7 ILE N 1 1 2 395 1 1 7 ILE O O -4.368 -9.080 3.925 1.00 . A A . 7 ILE O 1 1 2 396 1 1 8 ARG C C -4.798 -10.863 6.451 1.00 . A A . 8 ARG C 1 1 2 397 1 1 8 ARG CA C -5.647 -9.531 6.449 1.00 . A A . 8 ARG CA 1 1 2 398 1 1 8 ARG CB C -7.089 -9.593 5.818 1.00 . A A . 8 ARG CB 1 1 2 399 1 1 8 ARG CD C -8.093 -7.273 6.634 1.00 . A A . 8 ARG CD 1 1 2 400 1 1 8 ARG CG C -7.906 -8.309 5.510 1.00 . A A . 8 ARG CG 1 1 2 401 1 1 8 ARG CZ C -10.264 -7.681 7.843 1.00 . A A . 8 ARG CZ 1 1 2 402 1 1 8 ARG H H -4.785 -7.496 6.576 1.00 . A A . 8 ARG H 1 1 2 403 1 1 8 ARG HA H -5.821 -9.351 7.526 1.00 . A A . 8 ARG HA 1 1 2 404 1 1 8 ARG HB2 H -6.999 -10.106 4.845 1.00 . A A . 8 ARG HB2 1 1 2 405 1 1 8 ARG HB3 H -7.711 -10.269 6.435 1.00 . A A . 8 ARG HB3 1 1 2 406 1 1 8 ARG HD2 H -7.096 -6.979 7.015 1.00 . A A . 8 ARG HD2 1 1 2 407 1 1 8 ARG HD3 H -8.487 -6.333 6.200 1.00 . A A . 8 ARG HD3 1 1 2 408 1 1 8 ARG HE H -8.497 -8.154 8.606 1.00 . A A . 8 ARG HE 1 1 2 409 1 1 8 ARG HG2 H -7.416 -7.799 4.658 1.00 . A A . 8 ARG HG2 1 1 2 410 1 1 8 ARG HG3 H -8.894 -8.601 5.105 1.00 . A A . 8 ARG HG3 1 1 2 411 1 1 8 ARG HH11 H -10.496 -6.902 6.061 1.00 . A A . 8 ARG HH11 1 1 2 412 1 1 8 ARG HH12 H -12.030 -7.178 7.024 1.00 . A A . 8 ARG HH12 1 1 2 413 1 1 8 ARG HH21 H -10.242 -8.450 9.677 1.00 . A A . 8 ARG HH21 1 1 2 414 1 1 8 ARG HH22 H -11.864 -8.027 8.973 1.00 . A A . 8 ARG HH22 1 1 2 415 1 1 8 ARG N N -4.884 -8.330 5.990 1.00 . A A . 8 ARG N 1 1 2 416 1 1 8 ARG NE N -8.933 -7.758 7.768 1.00 . A A . 8 ARG NE 1 1 2 417 1 1 8 ARG NH1 N -11.019 -7.211 6.882 1.00 . A A . 8 ARG NH1 1 1 2 418 1 1 8 ARG NH2 N -10.846 -8.100 8.930 1.00 . A A . 8 ARG NH2 1 1 2 419 1 1 8 ARG O O -3.747 -10.926 7.092 1.00 . A A . 8 ARG O 1 1 2 420 1 1 9 LYS C C -4.295 -13.065 3.729 1.00 . A A . 9 LYS C 1 1 2 421 1 1 9 LYS CA C -4.384 -13.051 5.300 1.00 . A A . 9 LYS CA 1 1 2 422 1 1 9 LYS CB C -4.961 -14.385 5.861 1.00 . A A . 9 LYS CB 1 1 2 423 1 1 9 LYS CD C -5.400 -15.943 7.854 1.00 . A A . 9 LYS CD 1 1 2 424 1 1 9 LYS CE C -5.481 -16.067 9.386 1.00 . A A . 9 LYS CE 1 1 2 425 1 1 9 LYS CG C -4.937 -14.542 7.401 1.00 . A A . 9 LYS CG 1 1 2 426 1 1 9 LYS H H -6.090 -11.690 5.213 1.00 . A A . 9 LYS H 1 1 2 427 1 1 9 LYS HA H -3.351 -12.931 5.686 1.00 . A A . 9 LYS HA 1 1 2 428 1 1 9 LYS HB2 H -5.994 -14.524 5.488 1.00 . A A . 9 LYS HB2 1 1 2 429 1 1 9 LYS HB3 H -4.388 -15.225 5.421 1.00 . A A . 9 LYS HB3 1 1 2 430 1 1 9 LYS HD2 H -6.386 -16.169 7.401 1.00 . A A . 9 LYS HD2 1 1 2 431 1 1 9 LYS HD3 H -4.703 -16.700 7.438 1.00 . A A . 9 LYS HD3 1 1 2 432 1 1 9 LYS HE2 H -4.511 -15.774 9.848 1.00 . A A . 9 LYS HE2 1 1 2 433 1 1 9 LYS HE3 H -6.222 -15.340 9.789 1.00 . A A . 9 LYS HE3 1 1 2 434 1 1 9 LYS HG2 H -3.915 -14.336 7.780 1.00 . A A . 9 LYS HG2 1 1 2 435 1 1 9 LYS HG3 H -5.576 -13.759 7.856 1.00 . A A . 9 LYS HG3 1 1 2 436 1 1 9 LYS HZ1 H -6.735 -17.767 9.347 1.00 . A A . 9 LYS HZ1 1 1 2 437 1 1 9 LYS HZ2 H -5.146 -18.149 9.450 1.00 . A A . 9 LYS HZ2 1 1 2 438 1 1 9 LYS HZ3 H -5.943 -17.604 10.778 1.00 . A A . 9 LYS HZ3 1 1 2 439 1 1 9 LYS N N -5.245 -11.914 5.743 1.00 . A A . 9 LYS N 1 1 2 440 1 1 9 LYS NZ N -5.845 -17.462 9.763 1.00 . A A . 9 LYS NZ 1 1 2 441 1 1 9 LYS O O -5.103 -12.421 3.050 1.00 . A A . 9 LYS O 1 1 2 442 1 1 10 VAL C C -4.043 -13.380 0.623 1.00 . A A . 10 VAL C 1 1 2 443 1 1 10 VAL CA C -2.992 -13.879 1.691 1.00 . A A . 10 VAL CA 1 1 2 444 1 1 10 VAL CB C -2.409 -15.285 1.291 1.00 . A A . 10 VAL CB 1 1 2 445 1 1 10 VAL CG1 C -1.055 -15.616 1.963 1.00 . A A . 10 VAL CG1 1 1 2 446 1 1 10 VAL CG2 C -3.365 -16.487 1.484 1.00 . A A . 10 VAL CG2 1 1 2 447 1 1 10 VAL H H -2.743 -14.324 3.835 1.00 . A A . 10 VAL H 1 1 2 448 1 1 10 VAL HA H -2.129 -13.190 1.602 1.00 . A A . 10 VAL HA 1 1 2 449 1 1 10 VAL HB H -2.187 -15.241 0.205 1.00 . A A . 10 VAL HB 1 1 2 450 1 1 10 VAL HG11 H -1.149 -15.759 3.055 1.00 . A A . 10 VAL HG11 1 1 2 451 1 1 10 VAL HG12 H -0.612 -16.544 1.554 1.00 . A A . 10 VAL HG12 1 1 2 452 1 1 10 VAL HG13 H -0.308 -14.817 1.800 1.00 . A A . 10 VAL HG13 1 1 2 453 1 1 10 VAL HG21 H -2.928 -17.434 1.108 1.00 . A A . 10 VAL HG21 1 1 2 454 1 1 10 VAL HG22 H -3.625 -16.647 2.546 1.00 . A A . 10 VAL HG22 1 1 2 455 1 1 10 VAL HG23 H -4.316 -16.345 0.938 1.00 . A A . 10 VAL HG23 1 1 2 456 1 1 10 VAL N N -3.327 -13.818 3.163 1.00 . A A . 10 VAL N 1 1 2 457 1 1 10 VAL O O -5.141 -13.933 0.503 1.00 . A A . 10 VAL O 1 1 2 458 1 1 11 ARG C C -3.948 -11.222 -2.381 1.00 . A A . 11 ARG C 1 1 2 459 1 1 11 ARG CA C -4.645 -11.601 -1.037 1.00 . A A . 11 ARG CA 1 1 2 460 1 1 11 ARG CB C -5.319 -10.403 -0.291 1.00 . A A . 11 ARG CB 1 1 2 461 1 1 11 ARG CD C -6.908 -10.006 1.724 1.00 . A A . 11 ARG CD 1 1 2 462 1 1 11 ARG CG C -6.646 -10.777 0.414 1.00 . A A . 11 ARG CG 1 1 2 463 1 1 11 ARG CZ C -8.698 -11.403 2.817 1.00 . A A . 11 ARG CZ 1 1 2 464 1 1 11 ARG H H -2.767 -11.937 0.083 1.00 . A A . 11 ARG H 1 1 2 465 1 1 11 ARG HA H -5.449 -12.298 -1.349 1.00 . A A . 11 ARG HA 1 1 2 466 1 1 11 ARG HB2 H -4.604 -9.949 0.425 1.00 . A A . 11 ARG HB2 1 1 2 467 1 1 11 ARG HB3 H -5.539 -9.580 -0.999 1.00 . A A . 11 ARG HB3 1 1 2 468 1 1 11 ARG HD2 H -6.126 -10.212 2.483 1.00 . A A . 11 ARG HD2 1 1 2 469 1 1 11 ARG HD3 H -6.811 -8.917 1.540 1.00 . A A . 11 ARG HD3 1 1 2 470 1 1 11 ARG HE H -8.963 -9.499 2.251 1.00 . A A . 11 ARG HE 1 1 2 471 1 1 11 ARG HG2 H -7.485 -10.630 -0.295 1.00 . A A . 11 ARG HG2 1 1 2 472 1 1 11 ARG HG3 H -6.660 -11.861 0.634 1.00 . A A . 11 ARG HG3 1 1 2 473 1 1 11 ARG HH11 H -6.946 -12.329 2.744 1.00 . A A . 11 ARG HH11 1 1 2 474 1 1 11 ARG HH12 H -8.358 -13.297 3.401 1.00 . A A . 11 ARG HH12 1 1 2 475 1 1 11 ARG HH21 H -10.529 -10.668 2.944 1.00 . A A . 11 ARG HH21 1 1 2 476 1 1 11 ARG HH22 H -10.270 -12.364 3.561 1.00 . A A . 11 ARG HH22 1 1 2 477 1 1 11 ARG N N -3.705 -12.301 -0.109 1.00 . A A . 11 ARG N 1 1 2 478 1 1 11 ARG NE N -8.272 -10.267 2.262 1.00 . A A . 11 ARG NE 1 1 2 479 1 1 11 ARG NH1 N -7.935 -12.448 3.026 1.00 . A A . 11 ARG NH1 1 1 2 480 1 1 11 ARG NH2 N -9.947 -11.477 3.171 1.00 . A A . 11 ARG NH2 1 1 2 481 1 1 11 ARG O O -4.262 -11.770 -3.433 1.00 . A A . 11 ARG O 1 1 2 482 1 1 12 NH2 HN1 H -2.633 -10.158 -3.388 1.00 . A A . 12 NH2 HN1 1 1 2 483 1 1 12 NH2 HN2 H -2.739 -9.823 -1.578 1.00 . A A . 12 NH2 HN2 1 1 2 484 1 1 12 NH2 N N -3.009 -10.294 -2.445 1.00 . A A . 12 NH2 N 1 1 2 485 2 2 1 DAO C1 C 0.119 0.492 -0.275 1.00 . B A . 13 DAO C1 1 1 2 486 2 2 1 DAO C10 C -6.845 7.102 4.931 1.00 . B A . 13 DAO C10 1 1 2 487 2 2 1 DAO C11 C -8.137 7.936 4.798 1.00 . B A . 13 DAO C11 1 1 2 488 2 2 1 DAO C12 C -7.945 9.291 4.097 1.00 . B A . 13 DAO C12 1 1 2 489 2 2 1 DAO C2 C -0.843 0.334 0.905 1.00 . B A . 13 DAO C2 1 1 2 490 2 2 1 DAO C3 C -2.030 1.311 0.987 1.00 . B A . 13 DAO C3 1 1 2 491 2 2 1 DAO C4 C -1.589 2.761 1.260 1.00 . B A . 13 DAO C4 1 1 2 492 2 2 1 DAO C5 C -2.731 3.798 1.224 1.00 . B A . 13 DAO C5 1 1 2 493 2 2 1 DAO C6 C -3.426 4.053 2.577 1.00 . B A . 13 DAO C6 1 1 2 494 2 2 1 DAO C7 C -4.580 5.067 2.434 1.00 . B A . 13 DAO C7 1 1 2 495 2 2 1 DAO C8 C -5.081 5.627 3.778 1.00 . B A . 13 DAO C8 1 1 2 496 2 2 1 DAO C9 C -6.322 6.525 3.600 1.00 . B A . 13 DAO C9 1 1 2 497 2 2 1 DAO H101 H -7.036 6.274 5.639 1.00 . B A . 13 DAO H101 1 1 2 498 2 2 1 DAO H102 H -6.058 7.714 5.415 1.00 . B A . 13 DAO H102 1 1 2 499 2 2 1 DAO H111 H -8.920 7.353 4.276 1.00 . B A . 13 DAO H111 1 1 2 500 2 2 1 DAO H112 H -8.546 8.124 5.809 1.00 . B A . 13 DAO H112 1 1 2 501 2 2 1 DAO H121 H -7.615 9.174 3.048 1.00 . B A . 13 DAO H121 1 1 2 502 2 2 1 DAO H122 H -8.887 9.869 4.075 1.00 . B A . 13 DAO H122 1 1 2 503 2 2 1 DAO H123 H -7.192 9.917 4.612 1.00 . B A . 13 DAO H123 1 1 2 504 2 2 1 DAO H21 H -1.243 -0.687 0.855 1.00 . B A . 13 DAO H21 1 1 2 505 2 2 1 DAO H22 H -0.259 0.366 1.843 1.00 . B A . 13 DAO H22 1 1 2 506 2 2 1 DAO H31 H -2.605 1.247 0.043 1.00 . B A . 13 DAO H31 1 1 2 507 2 2 1 DAO H32 H -2.720 0.965 1.780 1.00 . B A . 13 DAO H32 1 1 2 508 2 2 1 DAO H41 H -1.032 2.792 2.213 1.00 . B A . 13 DAO H41 1 1 2 509 2 2 1 DAO H42 H -0.848 3.052 0.490 1.00 . B A . 13 DAO H42 1 1 2 510 2 2 1 DAO H51 H -3.472 3.520 0.449 1.00 . B A . 13 DAO H51 1 1 2 511 2 2 1 DAO H52 H -2.309 4.758 0.871 1.00 . B A . 13 DAO H52 1 1 2 512 2 2 1 DAO H61 H -3.804 3.103 3.001 1.00 . B A . 13 DAO H61 1 1 2 513 2 2 1 DAO H62 H -2.676 4.427 3.301 1.00 . B A . 13 DAO H62 1 1 2 514 2 2 1 DAO H71 H -4.259 5.918 1.801 1.00 . B A . 13 DAO H71 1 1 2 515 2 2 1 DAO H72 H -5.413 4.590 1.880 1.00 . B A . 13 DAO H72 1 1 2 516 2 2 1 DAO H81 H -5.306 4.800 4.475 1.00 . B A . 13 DAO H81 1 1 2 517 2 2 1 DAO H82 H -4.269 6.203 4.263 1.00 . B A . 13 DAO H82 1 1 2 518 2 2 1 DAO H91 H -7.127 5.957 3.097 1.00 . B A . 13 DAO H91 1 1 2 519 2 2 1 DAO H92 H -6.075 7.355 2.910 1.00 . B A . 13 DAO H92 1 1 2 520 2 2 1 DAO O1 O -0.211 1.013 -1.340 1.00 . B A . 13 DAO O1 1 1 3 521 1 1 1 PHE C C 2.142 0.157 -1.859 1.00 . A A . 1 PHE C 1 1 3 522 1 1 1 PHE CA C 1.563 1.444 -1.201 1.00 . A A . 1 PHE CA 1 1 3 523 1 1 1 PHE CB C 2.671 2.382 -0.617 1.00 . A A . 1 PHE CB 1 1 3 524 1 1 1 PHE CD1 C 1.373 4.545 -0.200 1.00 . A A . 1 PHE CD1 1 1 3 525 1 1 1 PHE CD2 C 2.463 3.470 1.669 1.00 . A A . 1 PHE CD2 1 1 3 526 1 1 1 PHE CE1 C 0.804 5.473 0.669 1.00 . A A . 1 PHE CE1 1 1 3 527 1 1 1 PHE CE2 C 1.898 4.400 2.535 1.00 . A A . 1 PHE CE2 1 1 3 528 1 1 1 PHE CG C 2.199 3.532 0.296 1.00 . A A . 1 PHE CG 1 1 3 529 1 1 1 PHE CZ C 1.067 5.401 2.037 1.00 . A A . 1 PHE CZ 1 1 3 530 1 1 1 PHE H1 H 0.549 1.797 0.574 1.00 . A A . 1 PHE H1 1 1 3 531 1 1 1 PHE HA H 1.068 2.018 -2.009 1.00 . A A . 1 PHE HA 1 1 3 532 1 1 1 PHE HB2 H 3.424 1.777 -0.077 1.00 . A A . 1 PHE HB2 1 1 3 533 1 1 1 PHE HB3 H 3.245 2.812 -1.457 1.00 . A A . 1 PHE HB3 1 1 3 534 1 1 1 PHE HD1 H 1.128 4.586 -1.252 1.00 . A A . 1 PHE HD1 1 1 3 535 1 1 1 PHE HD2 H 3.075 2.678 2.077 1.00 . A A . 1 PHE HD2 1 1 3 536 1 1 1 PHE HE1 H 0.139 6.225 0.277 1.00 . A A . 1 PHE HE1 1 1 3 537 1 1 1 PHE HE2 H 2.094 4.318 3.594 1.00 . A A . 1 PHE HE2 1 1 3 538 1 1 1 PHE HZ H 0.615 6.113 2.711 1.00 . A A . 1 PHE HZ 1 1 3 539 1 1 1 PHE N N 0.539 1.089 -0.167 1.00 . A A . 1 PHE N 1 1 3 540 1 1 1 PHE O O 2.044 -0.027 -3.073 1.00 . A A . 1 PHE O 1 1 3 541 1 1 2 GLN C C 1.928 -3.097 -1.805 1.00 . A A . 2 GLN C 1 1 3 542 1 1 2 GLN CA C 3.110 -2.117 -1.465 1.00 . A A . 2 GLN CA 1 1 3 543 1 1 2 GLN CB C 4.046 -2.654 -0.345 1.00 . A A . 2 GLN CB 1 1 3 544 1 1 2 GLN CD C 5.687 -4.483 0.453 1.00 . A A . 2 GLN CD 1 1 3 545 1 1 2 GLN CG C 4.789 -3.972 -0.678 1.00 . A A . 2 GLN CG 1 1 3 546 1 1 2 GLN H H 2.737 -0.414 -0.066 1.00 . A A . 2 GLN H 1 1 3 547 1 1 2 GLN HA H 3.710 -2.028 -2.392 1.00 . A A . 2 GLN HA 1 1 3 548 1 1 2 GLN HB2 H 4.811 -1.888 -0.101 1.00 . A A . 2 GLN HB2 1 1 3 549 1 1 2 GLN HB3 H 3.467 -2.789 0.591 1.00 . A A . 2 GLN HB3 1 1 3 550 1 1 2 GLN HE21 H 7.181 -3.294 -0.127 1.00 . A A . 2 GLN HE21 1 1 3 551 1 1 2 GLN HE22 H 7.444 -4.391 1.332 1.00 . A A . 2 GLN HE22 1 1 3 552 1 1 2 GLN HG2 H 4.055 -4.770 -0.899 1.00 . A A . 2 GLN HG2 1 1 3 553 1 1 2 GLN HG3 H 5.377 -3.861 -1.609 1.00 . A A . 2 GLN HG3 1 1 3 554 1 1 2 GLN N N 2.721 -0.741 -1.040 1.00 . A A . 2 GLN N 1 1 3 555 1 1 2 GLN NE2 N 6.909 -4.016 0.544 1.00 . A A . 2 GLN NE2 1 1 3 556 1 1 2 GLN O O 2.048 -3.881 -2.749 1.00 . A A . 2 GLN O 1 1 3 557 1 1 2 GLN OE1 O 5.298 -5.309 1.271 1.00 . A A . 2 GLN OE1 1 1 3 558 1 1 3 TRP C C -1.553 -3.182 -1.951 1.00 . A A . 3 TRP C 1 1 3 559 1 1 3 TRP CA C -0.366 -3.942 -1.263 1.00 . A A . 3 TRP CA 1 1 3 560 1 1 3 TRP CB C -0.740 -4.622 0.094 1.00 . A A . 3 TRP CB 1 1 3 561 1 1 3 TRP CD1 C -2.906 -3.881 1.318 1.00 . A A . 3 TRP CD1 1 1 3 562 1 1 3 TRP CD2 C -1.111 -2.743 1.956 1.00 . A A . 3 TRP CD2 1 1 3 563 1 1 3 TRP CE2 C -2.266 -2.211 2.583 1.00 . A A . 3 TRP CE2 1 1 3 564 1 1 3 TRP CE3 C 0.158 -2.156 2.187 1.00 . A A . 3 TRP CE3 1 1 3 565 1 1 3 TRP CG C -1.515 -3.784 1.134 1.00 . A A . 3 TRP CG 1 1 3 566 1 1 3 TRP CH2 C -0.900 -0.533 3.662 1.00 . A A . 3 TRP CH2 1 1 3 567 1 1 3 TRP CZ2 C -2.160 -1.079 3.424 1.00 . A A . 3 TRP CZ2 1 1 3 568 1 1 3 TRP CZ3 C 0.242 -1.065 3.054 1.00 . A A . 3 TRP CZ3 1 1 3 569 1 1 3 TRP H H 0.783 -2.264 -0.416 1.00 . A A . 3 TRP H 1 1 3 570 1 1 3 TRP HA H -0.087 -4.765 -1.951 1.00 . A A . 3 TRP HA 1 1 3 571 1 1 3 TRP HB2 H -1.347 -5.518 -0.136 1.00 . A A . 3 TRP HB2 1 1 3 572 1 1 3 TRP HB3 H 0.159 -5.060 0.550 1.00 . A A . 3 TRP HB3 1 1 3 573 1 1 3 TRP HD1 H -3.520 -4.603 0.803 1.00 . A A . 3 TRP HD1 1 1 3 574 1 1 3 TRP HE1 H -4.366 -2.693 2.457 1.00 . A A . 3 TRP HE1 1 1 3 575 1 1 3 TRP HE3 H 1.038 -2.535 1.697 1.00 . A A . 3 TRP HE3 1 1 3 576 1 1 3 TRP HH2 H -0.806 0.325 4.313 1.00 . A A . 3 TRP HH2 1 1 3 577 1 1 3 TRP HZ2 H -3.040 -0.633 3.862 1.00 . A A . 3 TRP HZ2 1 1 3 578 1 1 3 TRP HZ3 H 1.199 -0.616 3.261 1.00 . A A . 3 TRP HZ3 1 1 3 579 1 1 3 TRP N N 0.828 -3.082 -1.030 1.00 . A A . 3 TRP N 1 1 3 580 1 1 3 TRP NE1 N -3.398 -2.900 2.194 1.00 . A A . 3 TRP NE1 1 1 3 581 1 1 3 TRP O O -1.534 -1.962 -2.138 1.00 . A A . 3 TRP O 1 1 3 582 1 1 4 GLN C C -4.779 -2.768 -1.540 1.00 . A A . 4 GLN C 1 1 3 583 1 1 4 GLN CA C -3.920 -3.336 -2.721 1.00 . A A . 4 GLN CA 1 1 3 584 1 1 4 GLN CB C -4.587 -4.396 -3.657 1.00 . A A . 4 GLN CB 1 1 3 585 1 1 4 GLN CD C -5.243 -3.431 -6.014 1.00 . A A . 4 GLN CD 1 1 3 586 1 1 4 GLN CG C -4.231 -4.208 -5.150 1.00 . A A . 4 GLN CG 1 1 3 587 1 1 4 GLN H H -2.475 -4.935 -2.186 1.00 . A A . 4 GLN H 1 1 3 588 1 1 4 GLN HA H -3.704 -2.434 -3.330 1.00 . A A . 4 GLN HA 1 1 3 589 1 1 4 GLN HB2 H -4.337 -5.429 -3.339 1.00 . A A . 4 GLN HB2 1 1 3 590 1 1 4 GLN HB3 H -5.690 -4.381 -3.576 1.00 . A A . 4 GLN HB3 1 1 3 591 1 1 4 GLN HE21 H -5.520 -2.036 -4.612 1.00 . A A . 4 GLN HE21 1 1 3 592 1 1 4 GLN HE22 H -6.494 -1.922 -6.164 1.00 . A A . 4 GLN HE22 1 1 3 593 1 1 4 GLN HG2 H -3.233 -3.746 -5.266 1.00 . A A . 4 GLN HG2 1 1 3 594 1 1 4 GLN HG3 H -4.110 -5.218 -5.573 1.00 . A A . 4 GLN HG3 1 1 3 595 1 1 4 GLN N N -2.629 -3.925 -2.266 1.00 . A A . 4 GLN N 1 1 3 596 1 1 4 GLN NE2 N -5.742 -2.293 -5.578 1.00 . A A . 4 GLN NE2 1 1 3 597 1 1 4 GLN O O -4.410 -1.749 -0.958 1.00 . A A . 4 GLN O 1 1 3 598 1 1 4 GLN OE1 O -5.608 -3.853 -7.104 1.00 . A A . 4 GLN OE1 1 1 3 599 1 1 5 ARG C C -7.319 -4.074 0.799 1.00 . A A . 5 ARG C 1 1 3 600 1 1 5 ARG CA C -6.806 -2.884 -0.086 1.00 . A A . 5 ARG CA 1 1 3 601 1 1 5 ARG CB C -7.862 -1.926 -0.708 1.00 . A A . 5 ARG CB 1 1 3 602 1 1 5 ARG CD C -9.588 -0.056 -0.091 1.00 . A A . 5 ARG CD 1 1 3 603 1 1 5 ARG CG C -8.921 -1.394 0.285 1.00 . A A . 5 ARG CG 1 1 3 604 1 1 5 ARG CZ C -9.302 2.297 0.732 1.00 . A A . 5 ARG CZ 1 1 3 605 1 1 5 ARG H H -6.108 -4.223 -1.735 1.00 . A A . 5 ARG H 1 1 3 606 1 1 5 ARG HA H -6.220 -2.247 0.610 1.00 . A A . 5 ARG HA 1 1 3 607 1 1 5 ARG HB2 H -7.320 -1.073 -1.164 1.00 . A A . 5 ARG HB2 1 1 3 608 1 1 5 ARG HB3 H -8.378 -2.422 -1.554 1.00 . A A . 5 ARG HB3 1 1 3 609 1 1 5 ARG HD2 H -9.695 0.041 -1.191 1.00 . A A . 5 ARG HD2 1 1 3 610 1 1 5 ARG HD3 H -10.622 -0.068 0.314 1.00 . A A . 5 ARG HD3 1 1 3 611 1 1 5 ARG HE H -7.872 0.914 0.854 1.00 . A A . 5 ARG HE 1 1 3 612 1 1 5 ARG HG2 H -9.702 -2.176 0.353 1.00 . A A . 5 ARG HG2 1 1 3 613 1 1 5 ARG HG3 H -8.500 -1.353 1.309 1.00 . A A . 5 ARG HG3 1 1 3 614 1 1 5 ARG HH11 H -10.964 2.030 -0.278 1.00 . A A . 5 ARG HH11 1 1 3 615 1 1 5 ARG HH12 H -10.768 3.660 0.530 1.00 . A A . 5 ARG HH12 1 1 3 616 1 1 5 ARG HH21 H -7.696 2.771 1.795 1.00 . A A . 5 ARG HH21 1 1 3 617 1 1 5 ARG HH22 H -8.993 4.038 1.638 1.00 . A A . 5 ARG HH22 1 1 3 618 1 1 5 ARG N N -5.927 -3.371 -1.193 1.00 . A A . 5 ARG N 1 1 3 619 1 1 5 ARG NE N -8.812 1.082 0.481 1.00 . A A . 5 ARG NE 1 1 3 620 1 1 5 ARG NH1 N -10.467 2.711 0.298 1.00 . A A . 5 ARG NH1 1 1 3 621 1 1 5 ARG NH2 N -8.590 3.119 1.445 1.00 . A A . 5 ARG NH2 1 1 3 622 1 1 5 ARG O O -8.514 -4.354 0.914 1.00 . A A . 5 ARG O 1 1 3 623 1 1 6 ASN C C -5.205 -6.112 3.098 1.00 . A A . 6 ASN C 1 1 3 624 1 1 6 ASN CA C -6.593 -5.843 2.430 1.00 . A A . 6 ASN CA 1 1 3 625 1 1 6 ASN CB C -7.189 -7.114 1.747 1.00 . A A . 6 ASN CB 1 1 3 626 1 1 6 ASN CG C -7.839 -8.142 2.682 1.00 . A A . 6 ASN CG 1 1 3 627 1 1 6 ASN H H -5.427 -4.405 1.211 1.00 . A A . 6 ASN H 1 1 3 628 1 1 6 ASN HA H -7.312 -5.483 3.194 1.00 . A A . 6 ASN HA 1 1 3 629 1 1 6 ASN HB2 H -7.965 -6.812 1.018 1.00 . A A . 6 ASN HB2 1 1 3 630 1 1 6 ASN HB3 H -6.411 -7.613 1.138 1.00 . A A . 6 ASN HB3 1 1 3 631 1 1 6 ASN HD21 H -8.316 -9.266 1.102 1.00 . A A . 6 ASN HD21 1 1 3 632 1 1 6 ASN HD22 H -8.783 -9.864 2.783 1.00 . A A . 6 ASN HD22 1 1 3 633 1 1 6 ASN N N -6.362 -4.742 1.457 1.00 . A A . 6 ASN N 1 1 3 634 1 1 6 ASN ND2 N -8.365 -9.205 2.123 1.00 . A A . 6 ASN ND2 1 1 3 635 1 1 6 ASN O O -4.323 -6.701 2.466 1.00 . A A . 6 ASN O 1 1 3 636 1 1 6 ASN OD1 O -7.928 -8.004 3.899 1.00 . A A . 6 ASN OD1 1 1 3 637 1 1 7 ILE C C -3.165 -7.190 5.296 1.00 . A A . 7 ILE C 1 1 3 638 1 1 7 ILE CA C -3.625 -5.709 5.002 1.00 . A A . 7 ILE CA 1 1 3 639 1 1 7 ILE CB C -3.495 -4.831 6.308 1.00 . A A . 7 ILE CB 1 1 3 640 1 1 7 ILE CD1 C -4.374 -2.420 5.671 1.00 . A A . 7 ILE CD1 1 1 3 641 1 1 7 ILE CG1 C -4.495 -3.668 6.549 1.00 . A A . 7 ILE CG1 1 1 3 642 1 1 7 ILE CG2 C -2.037 -4.374 6.534 1.00 . A A . 7 ILE CG2 1 1 3 643 1 1 7 ILE H H -5.743 -5.114 4.767 1.00 . A A . 7 ILE H 1 1 3 644 1 1 7 ILE HA H -2.920 -5.269 4.275 1.00 . A A . 7 ILE HA 1 1 3 645 1 1 7 ILE HB H -3.709 -5.496 7.163 1.00 . A A . 7 ILE HB 1 1 3 646 1 1 7 ILE HD11 H -5.125 -1.654 5.935 1.00 . A A . 7 ILE HD11 1 1 3 647 1 1 7 ILE HD12 H -3.382 -1.945 5.787 1.00 . A A . 7 ILE HD12 1 1 3 648 1 1 7 ILE HD13 H -4.512 -2.661 4.605 1.00 . A A . 7 ILE HD13 1 1 3 649 1 1 7 ILE HG12 H -5.523 -4.063 6.467 1.00 . A A . 7 ILE HG12 1 1 3 650 1 1 7 ILE HG13 H -4.397 -3.352 7.598 1.00 . A A . 7 ILE HG13 1 1 3 651 1 1 7 ILE HG21 H -1.700 -3.689 5.732 1.00 . A A . 7 ILE HG21 1 1 3 652 1 1 7 ILE HG22 H -1.913 -3.844 7.496 1.00 . A A . 7 ILE HG22 1 1 3 653 1 1 7 ILE HG23 H -1.337 -5.231 6.543 1.00 . A A . 7 ILE HG23 1 1 3 654 1 1 7 ILE N N -4.977 -5.640 4.342 1.00 . A A . 7 ILE N 1 1 3 655 1 1 7 ILE O O -2.109 -7.658 4.872 1.00 . A A . 7 ILE O 1 1 3 656 1 1 8 ARG C C -4.169 -10.185 4.888 1.00 . A A . 8 ARG C 1 1 3 657 1 1 8 ARG CA C -4.047 -9.360 6.213 1.00 . A A . 8 ARG CA 1 1 3 658 1 1 8 ARG CB C -5.221 -9.701 7.196 1.00 . A A . 8 ARG CB 1 1 3 659 1 1 8 ARG CD C -6.983 -7.882 8.060 1.00 . A A . 8 ARG CD 1 1 3 660 1 1 8 ARG CG C -6.581 -8.946 7.004 1.00 . A A . 8 ARG CG 1 1 3 661 1 1 8 ARG CZ C -5.959 -5.982 9.359 1.00 . A A . 8 ARG CZ 1 1 3 662 1 1 8 ARG H H -4.906 -7.370 6.122 1.00 . A A . 8 ARG H 1 1 3 663 1 1 8 ARG HA H -3.104 -9.644 6.717 1.00 . A A . 8 ARG HA 1 1 3 664 1 1 8 ARG HB2 H -5.419 -10.791 7.153 1.00 . A A . 8 ARG HB2 1 1 3 665 1 1 8 ARG HB3 H -4.868 -9.569 8.236 1.00 . A A . 8 ARG HB3 1 1 3 666 1 1 8 ARG HD2 H -7.790 -7.260 7.621 1.00 . A A . 8 ARG HD2 1 1 3 667 1 1 8 ARG HD3 H -7.431 -8.402 8.929 1.00 . A A . 8 ARG HD3 1 1 3 668 1 1 8 ARG HE H -4.891 -7.322 8.357 1.00 . A A . 8 ARG HE 1 1 3 669 1 1 8 ARG HG2 H -6.602 -8.481 5.997 1.00 . A A . 8 ARG HG2 1 1 3 670 1 1 8 ARG HG3 H -7.390 -9.692 6.931 1.00 . A A . 8 ARG HG3 1 1 3 671 1 1 8 ARG HH11 H -7.922 -5.880 9.293 1.00 . A A . 8 ARG HH11 1 1 3 672 1 1 8 ARG HH12 H -7.082 -4.641 10.344 1.00 . A A . 8 ARG HH12 1 1 3 673 1 1 8 ARG HH21 H -3.983 -5.921 9.588 1.00 . A A . 8 ARG HH21 1 1 3 674 1 1 8 ARG HH22 H -4.961 -4.681 10.487 1.00 . A A . 8 ARG HH22 1 1 3 675 1 1 8 ARG N N -4.025 -7.887 6.050 1.00 . A A . 8 ARG N 1 1 3 676 1 1 8 ARG NE N -5.856 -7.023 8.532 1.00 . A A . 8 ARG NE 1 1 3 677 1 1 8 ARG NH1 N -7.099 -5.442 9.708 1.00 . A A . 8 ARG NH1 1 1 3 678 1 1 8 ARG NH2 N -4.863 -5.468 9.842 1.00 . A A . 8 ARG NH2 1 1 3 679 1 1 8 ARG O O -4.873 -9.808 3.947 1.00 . A A . 8 ARG O 1 1 3 680 1 1 9 LYS C C -5.015 -12.875 3.388 1.00 . A A . 9 LYS C 1 1 3 681 1 1 9 LYS CA C -3.584 -12.341 3.757 1.00 . A A . 9 LYS CA 1 1 3 682 1 1 9 LYS CB C -2.566 -13.480 4.083 1.00 . A A . 9 LYS CB 1 1 3 683 1 1 9 LYS CD C -1.825 -15.503 5.500 1.00 . A A . 9 LYS CD 1 1 3 684 1 1 9 LYS CE C -1.995 -16.344 6.783 1.00 . A A . 9 LYS CE 1 1 3 685 1 1 9 LYS CG C -2.861 -14.370 5.323 1.00 . A A . 9 LYS CG 1 1 3 686 1 1 9 LYS H H -2.911 -11.518 5.688 1.00 . A A . 9 LYS H 1 1 3 687 1 1 9 LYS HA H -3.209 -11.817 2.853 1.00 . A A . 9 LYS HA 1 1 3 688 1 1 9 LYS HB2 H -2.479 -14.134 3.193 1.00 . A A . 9 LYS HB2 1 1 3 689 1 1 9 LYS HB3 H -1.554 -13.038 4.181 1.00 . A A . 9 LYS HB3 1 1 3 690 1 1 9 LYS HD2 H -1.911 -16.180 4.626 1.00 . A A . 9 LYS HD2 1 1 3 691 1 1 9 LYS HD3 H -0.793 -15.104 5.428 1.00 . A A . 9 LYS HD3 1 1 3 692 1 1 9 LYS HE2 H -3.063 -16.626 6.923 1.00 . A A . 9 LYS HE2 1 1 3 693 1 1 9 LYS HE3 H -1.470 -17.318 6.653 1.00 . A A . 9 LYS HE3 1 1 3 694 1 1 9 LYS HG2 H -2.899 -13.735 6.228 1.00 . A A . 9 LYS HG2 1 1 3 695 1 1 9 LYS HG3 H -3.878 -14.805 5.233 1.00 . A A . 9 LYS HG3 1 1 3 696 1 1 9 LYS HZ1 H -0.456 -15.412 7.885 1.00 . A A . 9 LYS HZ1 1 1 3 697 1 1 9 LYS HZ2 H -1.920 -14.727 8.138 1.00 . A A . 9 LYS HZ2 1 1 3 698 1 1 9 LYS HZ3 H -1.550 -16.161 8.854 1.00 . A A . 9 LYS HZ3 1 1 3 699 1 1 9 LYS N N -3.509 -11.356 4.875 1.00 . A A . 9 LYS N 1 1 3 700 1 1 9 LYS NZ N -1.457 -15.630 7.977 1.00 . A A . 9 LYS NZ 1 1 3 701 1 1 9 LYS O O -5.978 -12.719 4.147 1.00 . A A . 9 LYS O 1 1 3 702 1 1 10 VAL C C -7.173 -15.037 2.652 1.00 . A A . 10 VAL C 1 1 3 703 1 1 10 VAL CA C -6.437 -14.043 1.681 1.00 . A A . 10 VAL CA 1 1 3 704 1 1 10 VAL CB C -6.289 -14.632 0.230 1.00 . A A . 10 VAL CB 1 1 3 705 1 1 10 VAL CG1 C -5.973 -13.559 -0.837 1.00 . A A . 10 VAL CG1 1 1 3 706 1 1 10 VAL CG2 C -5.286 -15.801 0.069 1.00 . A A . 10 VAL CG2 1 1 3 707 1 1 10 VAL H H -4.278 -13.596 1.660 1.00 . A A . 10 VAL H 1 1 3 708 1 1 10 VAL HA H -7.088 -13.153 1.568 1.00 . A A . 10 VAL HA 1 1 3 709 1 1 10 VAL HB H -7.282 -15.040 -0.049 1.00 . A A . 10 VAL HB 1 1 3 710 1 1 10 VAL HG11 H -6.726 -12.749 -0.842 1.00 . A A . 10 VAL HG11 1 1 3 711 1 1 10 VAL HG12 H -4.986 -13.085 -0.678 1.00 . A A . 10 VAL HG12 1 1 3 712 1 1 10 VAL HG13 H -5.965 -13.983 -1.859 1.00 . A A . 10 VAL HG13 1 1 3 713 1 1 10 VAL HG21 H -5.311 -16.232 -0.951 1.00 . A A . 10 VAL HG21 1 1 3 714 1 1 10 VAL HG22 H -4.243 -15.490 0.262 1.00 . A A . 10 VAL HG22 1 1 3 715 1 1 10 VAL HG23 H -5.508 -16.632 0.763 1.00 . A A . 10 VAL HG23 1 1 3 716 1 1 10 VAL N N -5.137 -13.519 2.211 1.00 . A A . 10 VAL N 1 1 3 717 1 1 10 VAL O O -6.621 -16.063 3.062 1.00 . A A . 10 VAL O 1 1 3 718 1 1 11 ARG C C -10.718 -15.479 3.583 1.00 . A A . 11 ARG C 1 1 3 719 1 1 11 ARG CA C -9.218 -15.477 4.016 1.00 . A A . 11 ARG CA 1 1 3 720 1 1 11 ARG CB C -8.979 -15.002 5.486 1.00 . A A . 11 ARG CB 1 1 3 721 1 1 11 ARG CD C -8.941 -12.386 5.563 1.00 . A A . 11 ARG CD 1 1 3 722 1 1 11 ARG CG C -9.636 -13.691 6.000 1.00 . A A . 11 ARG CG 1 1 3 723 1 1 11 ARG CZ C -10.665 -10.584 5.241 1.00 . A A . 11 ARG CZ 1 1 3 724 1 1 11 ARG H H -8.785 -13.850 2.590 1.00 . A A . 11 ARG H 1 1 3 725 1 1 11 ARG HA H -8.868 -16.529 3.979 1.00 . A A . 11 ARG HA 1 1 3 726 1 1 11 ARG HB2 H -9.340 -15.818 6.142 1.00 . A A . 11 ARG HB2 1 1 3 727 1 1 11 ARG HB3 H -7.889 -14.974 5.687 1.00 . A A . 11 ARG HB3 1 1 3 728 1 1 11 ARG HD2 H -7.934 -12.333 6.025 1.00 . A A . 11 ARG HD2 1 1 3 729 1 1 11 ARG HD3 H -8.723 -12.373 4.477 1.00 . A A . 11 ARG HD3 1 1 3 730 1 1 11 ARG HE H -9.588 -10.763 6.895 1.00 . A A . 11 ARG HE 1 1 3 731 1 1 11 ARG HG2 H -10.708 -13.677 5.721 1.00 . A A . 11 ARG HG2 1 1 3 732 1 1 11 ARG HG3 H -9.653 -13.719 7.108 1.00 . A A . 11 ARG HG3 1 1 3 733 1 1 11 ARG HH11 H -10.721 -11.959 3.839 1.00 . A A . 11 ARG HH11 1 1 3 734 1 1 11 ARG HH12 H -11.828 -10.522 3.603 1.00 . A A . 11 ARG HH12 1 1 3 735 1 1 11 ARG HH21 H -10.875 -9.162 6.614 1.00 . A A . 11 ARG HH21 1 1 3 736 1 1 11 ARG HH22 H -11.904 -9.033 5.121 1.00 . A A . 11 ARG HH22 1 1 3 737 1 1 11 ARG N N -8.412 -14.688 3.044 1.00 . A A . 11 ARG N 1 1 3 738 1 1 11 ARG NE N -9.738 -11.197 5.981 1.00 . A A . 11 ARG NE 1 1 3 739 1 1 11 ARG NH1 N -11.083 -11.032 4.082 1.00 . A A . 11 ARG NH1 1 1 3 740 1 1 11 ARG NH2 N -11.198 -9.489 5.703 1.00 . A A . 11 ARG NH2 1 1 3 741 1 1 11 ARG O O -11.334 -14.438 3.346 1.00 . A A . 11 ARG O 1 1 3 742 1 1 12 NH2 HN1 H -12.337 -16.524 3.158 1.00 . A A . 12 NH2 HN1 1 1 3 743 1 1 12 NH2 HN2 H -10.848 -17.491 3.634 1.00 . A A . 12 NH2 HN2 1 1 3 744 1 1 12 NH2 N N -11.367 -16.623 3.471 1.00 . A A . 12 NH2 N 1 1 3 745 2 2 1 DAO C1 C -1.066 1.007 -0.794 1.00 . B A . 13 DAO C1 1 1 3 746 2 2 1 DAO C10 C -7.922 6.142 -3.223 1.00 . B A . 13 DAO C10 1 1 3 747 2 2 1 DAO C11 C -8.673 6.659 -4.465 1.00 . B A . 13 DAO C11 1 1 3 748 2 2 1 DAO C12 C -9.069 8.141 -4.374 1.00 . B A . 13 DAO C12 1 1 3 749 2 2 1 DAO C2 C -2.083 0.560 0.249 1.00 . B A . 13 DAO C2 1 1 3 750 2 2 1 DAO C3 C -3.535 1.037 0.108 1.00 . B A . 13 DAO C3 1 1 3 751 2 2 1 DAO C4 C -3.690 2.561 0.207 1.00 . B A . 13 DAO C4 1 1 3 752 2 2 1 DAO C5 C -5.161 2.997 0.332 1.00 . B A . 13 DAO C5 1 1 3 753 2 2 1 DAO C6 C -5.387 4.494 0.037 1.00 . B A . 13 DAO C6 1 1 3 754 2 2 1 DAO C7 C -5.524 4.798 -1.470 1.00 . B A . 13 DAO C7 1 1 3 755 2 2 1 DAO C8 C -5.801 6.291 -1.751 1.00 . B A . 13 DAO C8 1 1 3 756 2 2 1 DAO C9 C -6.442 6.585 -3.124 1.00 . B A . 13 DAO C9 1 1 3 757 2 2 1 DAO H101 H -7.963 5.037 -3.228 1.00 . B A . 13 DAO H101 1 1 3 758 2 2 1 DAO H102 H -8.474 6.443 -2.311 1.00 . B A . 13 DAO H102 1 1 3 759 2 2 1 DAO H111 H -8.077 6.476 -5.381 1.00 . B A . 13 DAO H111 1 1 3 760 2 2 1 DAO H112 H -9.594 6.060 -4.599 1.00 . B A . 13 DAO H112 1 1 3 761 2 2 1 DAO H121 H -8.186 8.805 -4.323 1.00 . B A . 13 DAO H121 1 1 3 762 2 2 1 DAO H122 H -9.658 8.454 -5.256 1.00 . B A . 13 DAO H122 1 1 3 763 2 2 1 DAO H123 H -9.688 8.347 -3.481 1.00 . B A . 13 DAO H123 1 1 3 764 2 2 1 DAO H21 H -2.082 -0.538 0.242 1.00 . B A . 13 DAO H21 1 1 3 765 2 2 1 DAO H22 H -1.705 0.843 1.247 1.00 . B A . 13 DAO H22 1 1 3 766 2 2 1 DAO H31 H -3.938 0.678 -0.857 1.00 . B A . 13 DAO H31 1 1 3 767 2 2 1 DAO H32 H -4.130 0.528 0.892 1.00 . B A . 13 DAO H32 1 1 3 768 2 2 1 DAO H41 H -3.109 2.926 1.074 1.00 . B A . 13 DAO H41 1 1 3 769 2 2 1 DAO H42 H -3.220 3.025 -0.682 1.00 . B A . 13 DAO H42 1 1 3 770 2 2 1 DAO H51 H -5.496 2.769 1.360 1.00 . B A . 13 DAO H51 1 1 3 771 2 2 1 DAO H52 H -5.806 2.385 -0.330 1.00 . B A . 13 DAO H52 1 1 3 772 2 2 1 DAO H61 H -6.314 4.821 0.544 1.00 . B A . 13 DAO H61 1 1 3 773 2 2 1 DAO H62 H -4.583 5.107 0.489 1.00 . B A . 13 DAO H62 1 1 3 774 2 2 1 DAO H71 H -4.613 4.484 -2.016 1.00 . B A . 13 DAO H71 1 1 3 775 2 2 1 DAO H72 H -6.336 4.173 -1.885 1.00 . B A . 13 DAO H72 1 1 3 776 2 2 1 DAO H81 H -6.443 6.727 -0.962 1.00 . B A . 13 DAO H81 1 1 3 777 2 2 1 DAO H82 H -4.846 6.846 -1.670 1.00 . B A . 13 DAO H82 1 1 3 778 2 2 1 DAO H91 H -5.848 6.123 -3.937 1.00 . B A . 13 DAO H91 1 1 3 779 2 2 1 DAO H92 H -6.374 7.674 -3.306 1.00 . B A . 13 DAO H92 1 1 3 780 2 2 1 DAO O1 O -1.370 1.303 -1.949 1.00 . B A . 13 DAO O1 1 1 4 781 1 1 1 PHE C C 2.422 0.627 -1.309 1.00 . A A . 1 PHE C 1 1 4 782 1 1 1 PHE CA C 1.992 1.306 0.024 1.00 . A A . 1 PHE CA 1 1 4 783 1 1 1 PHE CB C 3.171 1.558 1.027 1.00 . A A . 1 PHE CB 1 1 4 784 1 1 1 PHE CD1 C 2.022 2.920 2.865 1.00 . A A . 1 PHE CD1 1 1 4 785 1 1 1 PHE CD2 C 3.164 0.882 3.480 1.00 . A A . 1 PHE CD2 1 1 4 786 1 1 1 PHE CE1 C 1.572 3.060 4.176 1.00 . A A . 1 PHE CE1 1 1 4 787 1 1 1 PHE CE2 C 2.717 1.026 4.790 1.00 . A A . 1 PHE CE2 1 1 4 788 1 1 1 PHE CG C 2.813 1.824 2.505 1.00 . A A . 1 PHE CG 1 1 4 789 1 1 1 PHE CZ C 1.919 2.113 5.138 1.00 . A A . 1 PHE CZ 1 1 4 790 1 1 1 PHE H1 H 1.085 0.388 1.641 1.00 . A A . 1 PHE H1 1 1 4 791 1 1 1 PHE HA H 1.593 2.304 -0.244 1.00 . A A . 1 PHE HA 1 1 4 792 1 1 1 PHE HB2 H 3.884 0.713 0.979 1.00 . A A . 1 PHE HB2 1 1 4 793 1 1 1 PHE HB3 H 3.771 2.408 0.652 1.00 . A A . 1 PHE HB3 1 1 4 794 1 1 1 PHE HD1 H 1.716 3.641 2.120 1.00 . A A . 1 PHE HD1 1 1 4 795 1 1 1 PHE HD2 H 3.758 0.018 3.222 1.00 . A A . 1 PHE HD2 1 1 4 796 1 1 1 PHE HE1 H 0.938 3.894 4.436 1.00 . A A . 1 PHE HE1 1 1 4 797 1 1 1 PHE HE2 H 2.981 0.281 5.527 1.00 . A A . 1 PHE HE2 1 1 4 798 1 1 1 PHE HZ H 1.563 2.218 6.152 1.00 . A A . 1 PHE HZ 1 1 4 799 1 1 1 PHE N N 0.900 0.488 0.637 1.00 . A A . 1 PHE N 1 1 4 800 1 1 1 PHE O O 2.237 1.194 -2.387 1.00 . A A . 1 PHE O 1 1 4 801 1 1 2 GLN C C 1.832 -2.412 -2.717 1.00 . A A . 2 GLN C 1 1 4 802 1 1 2 GLN CA C 3.092 -1.522 -2.396 1.00 . A A . 2 GLN CA 1 1 4 803 1 1 2 GLN CB C 4.409 -2.314 -2.160 1.00 . A A . 2 GLN CB 1 1 4 804 1 1 2 GLN CD C 6.333 -3.605 -3.355 1.00 . A A . 2 GLN CD 1 1 4 805 1 1 2 GLN CG C 4.851 -3.213 -3.343 1.00 . A A . 2 GLN CG 1 1 4 806 1 1 2 GLN H H 3.043 -0.930 -0.257 1.00 . A A . 2 GLN H 1 1 4 807 1 1 2 GLN HA H 3.254 -0.910 -3.307 1.00 . A A . 2 GLN HA 1 1 4 808 1 1 2 GLN HB2 H 5.224 -1.589 -1.954 1.00 . A A . 2 GLN HB2 1 1 4 809 1 1 2 GLN HB3 H 4.331 -2.929 -1.241 1.00 . A A . 2 GLN HB3 1 1 4 810 1 1 2 GLN HE21 H 6.063 -4.949 -1.910 1.00 . A A . 2 GLN HE21 1 1 4 811 1 1 2 GLN HE22 H 7.756 -4.733 -2.607 1.00 . A A . 2 GLN HE22 1 1 4 812 1 1 2 GLN HG2 H 4.214 -4.116 -3.387 1.00 . A A . 2 GLN HG2 1 1 4 813 1 1 2 GLN HG3 H 4.650 -2.684 -4.293 1.00 . A A . 2 GLN HG3 1 1 4 814 1 1 2 GLN N N 2.953 -0.609 -1.226 1.00 . A A . 2 GLN N 1 1 4 815 1 1 2 GLN NE2 N 6.748 -4.564 -2.564 1.00 . A A . 2 GLN NE2 1 1 4 816 1 1 2 GLN O O 1.657 -2.786 -3.879 1.00 . A A . 2 GLN O 1 1 4 817 1 1 2 GLN OE1 O 7.144 -3.048 -4.085 1.00 . A A . 2 GLN OE1 1 1 4 818 1 1 3 TRP C C -1.507 -2.428 -2.339 1.00 . A A . 3 TRP C 1 1 4 819 1 1 3 TRP CA C -0.341 -3.424 -2.002 1.00 . A A . 3 TRP CA 1 1 4 820 1 1 3 TRP CB C -0.637 -4.408 -0.824 1.00 . A A . 3 TRP CB 1 1 4 821 1 1 3 TRP CD1 C -2.647 -4.021 0.791 1.00 . A A . 3 TRP CD1 1 1 4 822 1 1 3 TRP CD2 C -0.737 -3.177 1.545 1.00 . A A . 3 TRP CD2 1 1 4 823 1 1 3 TRP CE2 C -1.777 -2.924 2.478 1.00 . A A . 3 TRP CE2 1 1 4 824 1 1 3 TRP CE3 C 0.586 -2.761 1.826 1.00 . A A . 3 TRP CE3 1 1 4 825 1 1 3 TRP CG C -1.284 -3.860 0.469 1.00 . A A . 3 TRP CG 1 1 4 826 1 1 3 TRP CH2 C -0.179 -1.886 3.967 1.00 . A A . 3 TRP CH2 1 1 4 827 1 1 3 TRP CZ2 C -1.494 -2.269 3.699 1.00 . A A . 3 TRP CZ2 1 1 4 828 1 1 3 TRP CZ3 C 0.845 -2.129 3.045 1.00 . A A . 3 TRP CZ3 1 1 4 829 1 1 3 TRP H H 1.115 -2.234 -0.871 1.00 . A A . 3 TRP H 1 1 4 830 1 1 3 TRP HA H -0.221 -4.064 -2.899 1.00 . A A . 3 TRP HA 1 1 4 831 1 1 3 TRP HB2 H -1.304 -5.198 -1.217 1.00 . A A . 3 TRP HB2 1 1 4 832 1 1 3 TRP HB3 H 0.271 -4.976 -0.577 1.00 . A A . 3 TRP HB3 1 1 4 833 1 1 3 TRP HD1 H -3.348 -4.548 0.163 1.00 . A A . 3 TRP HD1 1 1 4 834 1 1 3 TRP HE1 H -3.887 -3.423 2.497 1.00 . A A . 3 TRP HE1 1 1 4 835 1 1 3 TRP HE3 H 1.372 -2.908 1.108 1.00 . A A . 3 TRP HE3 1 1 4 836 1 1 3 TRP HH2 H 0.051 -1.387 4.898 1.00 . A A . 3 TRP HH2 1 1 4 837 1 1 3 TRP HZ2 H -2.279 -2.074 4.413 1.00 . A A . 3 TRP HZ2 1 1 4 838 1 1 3 TRP HZ3 H 1.850 -1.819 3.284 1.00 . A A . 3 TRP HZ3 1 1 4 839 1 1 3 TRP N N 0.964 -2.754 -1.738 1.00 . A A . 3 TRP N 1 1 4 840 1 1 3 TRP NE1 N -2.979 -3.431 2.022 1.00 . A A . 3 TRP NE1 1 1 4 841 1 1 3 TRP O O -1.353 -1.204 -2.316 1.00 . A A . 3 TRP O 1 1 4 842 1 1 4 GLN C C -4.474 -1.614 -1.373 1.00 . A A . 4 GLN C 1 1 4 843 1 1 4 GLN CA C -3.959 -2.188 -2.736 1.00 . A A . 4 GLN CA 1 1 4 844 1 1 4 GLN CB C -4.956 -3.067 -3.557 1.00 . A A . 4 GLN CB 1 1 4 845 1 1 4 GLN CD C -5.863 -1.784 -5.599 1.00 . A A . 4 GLN CD 1 1 4 846 1 1 4 GLN CG C -4.878 -2.844 -5.083 1.00 . A A . 4 GLN CG 1 1 4 847 1 1 4 GLN H H -2.683 -4.001 -2.708 1.00 . A A . 4 GLN H 1 1 4 848 1 1 4 GLN HA H -3.737 -1.278 -3.329 1.00 . A A . 4 GLN HA 1 1 4 849 1 1 4 GLN HB2 H -4.823 -4.145 -3.330 1.00 . A A . 4 GLN HB2 1 1 4 850 1 1 4 GLN HB3 H -6.003 -2.884 -3.248 1.00 . A A . 4 GLN HB3 1 1 4 851 1 1 4 GLN HE21 H -4.609 -0.278 -5.159 1.00 . A A . 4 GLN HE21 1 1 4 852 1 1 4 GLN HE22 H -6.320 0.120 -5.699 1.00 . A A . 4 GLN HE22 1 1 4 853 1 1 4 GLN HG2 H -3.846 -2.615 -5.407 1.00 . A A . 4 GLN HG2 1 1 4 854 1 1 4 GLN HG3 H -5.111 -3.807 -5.565 1.00 . A A . 4 GLN HG3 1 1 4 855 1 1 4 GLN N N -2.704 -2.981 -2.606 1.00 . A A . 4 GLN N 1 1 4 856 1 1 4 GLN NE2 N -5.538 -0.515 -5.518 1.00 . A A . 4 GLN NE2 1 1 4 857 1 1 4 GLN O O -3.914 -0.634 -0.883 1.00 . A A . 4 GLN O 1 1 4 858 1 1 4 GLN OE1 O -6.971 -2.089 -6.023 1.00 . A A . 4 GLN OE1 1 1 4 859 1 1 5 ARG C C -6.690 -2.727 1.512 1.00 . A A . 5 ARG C 1 1 4 860 1 1 5 ARG CA C -6.111 -1.648 0.518 1.00 . A A . 5 ARG CA 1 1 4 861 1 1 5 ARG CB C -7.055 -0.452 0.184 1.00 . A A . 5 ARG CB 1 1 4 862 1 1 5 ARG CD C -9.640 -0.174 0.502 1.00 . A A . 5 ARG CD 1 1 4 863 1 1 5 ARG CG C -8.488 -0.776 -0.333 1.00 . A A . 5 ARG CG 1 1 4 864 1 1 5 ARG CZ C -10.403 -0.420 2.882 1.00 . A A . 5 ARG CZ 1 1 4 865 1 1 5 ARG H H -5.987 -2.882 -1.354 1.00 . A A . 5 ARG H 1 1 4 866 1 1 5 ARG HA H -5.288 -1.209 1.112 1.00 . A A . 5 ARG HA 1 1 4 867 1 1 5 ARG HB2 H -7.109 0.190 1.080 1.00 . A A . 5 ARG HB2 1 1 4 868 1 1 5 ARG HB3 H -6.554 0.216 -0.545 1.00 . A A . 5 ARG HB3 1 1 4 869 1 1 5 ARG HD2 H -9.547 0.932 0.523 1.00 . A A . 5 ARG HD2 1 1 4 870 1 1 5 ARG HD3 H -10.609 -0.398 0.010 1.00 . A A . 5 ARG HD3 1 1 4 871 1 1 5 ARG HE H -8.799 -1.354 2.133 1.00 . A A . 5 ARG HE 1 1 4 872 1 1 5 ARG HG2 H -8.574 -0.408 -1.374 1.00 . A A . 5 ARG HG2 1 1 4 873 1 1 5 ARG HG3 H -8.631 -1.870 -0.431 1.00 . A A . 5 ARG HG3 1 1 4 874 1 1 5 ARG HH11 H -11.567 0.750 1.821 1.00 . A A . 5 ARG HH11 1 1 4 875 1 1 5 ARG HH12 H -11.995 0.582 3.592 1.00 . A A . 5 ARG HH12 1 1 4 876 1 1 5 ARG HH21 H -9.324 -1.542 4.092 1.00 . A A . 5 ARG HH21 1 1 4 877 1 1 5 ARG HH22 H -10.761 -0.678 4.823 1.00 . A A . 5 ARG HH22 1 1 4 878 1 1 5 ARG N N -5.543 -2.165 -0.772 1.00 . A A . 5 ARG N 1 1 4 879 1 1 5 ARG NE N -9.599 -0.743 1.875 1.00 . A A . 5 ARG NE 1 1 4 880 1 1 5 ARG NH1 N -11.430 0.383 2.764 1.00 . A A . 5 ARG NH1 1 1 4 881 1 1 5 ARG NH2 N -10.147 -0.936 4.048 1.00 . A A . 5 ARG NH2 1 1 4 882 1 1 5 ARG O O -7.452 -2.403 2.431 1.00 . A A . 5 ARG O 1 1 4 883 1 1 6 ASN C C -5.695 -6.160 2.350 1.00 . A A . 6 ASN C 1 1 4 884 1 1 6 ASN CA C -6.868 -5.163 2.075 1.00 . A A . 6 ASN CA 1 1 4 885 1 1 6 ASN CB C -8.078 -5.761 1.290 1.00 . A A . 6 ASN CB 1 1 4 886 1 1 6 ASN CG C -7.981 -5.984 -0.235 1.00 . A A . 6 ASN CG 1 1 4 887 1 1 6 ASN H H -5.782 -4.156 0.484 1.00 . A A . 6 ASN H 1 1 4 888 1 1 6 ASN HA H -7.265 -4.837 3.058 1.00 . A A . 6 ASN HA 1 1 4 889 1 1 6 ASN HB2 H -8.300 -6.742 1.727 1.00 . A A . 6 ASN HB2 1 1 4 890 1 1 6 ASN HB3 H -8.976 -5.154 1.511 1.00 . A A . 6 ASN HB3 1 1 4 891 1 1 6 ASN HD21 H -9.140 -4.395 -0.614 1.00 . A A . 6 ASN HD21 1 1 4 892 1 1 6 ASN HD22 H -8.486 -5.369 -2.032 1.00 . A A . 6 ASN HD22 1 1 4 893 1 1 6 ASN N N -6.310 -4.002 1.346 1.00 . A A . 6 ASN N 1 1 4 894 1 1 6 ASN ND2 N -8.562 -5.125 -1.040 1.00 . A A . 6 ASN ND2 1 1 4 895 1 1 6 ASN O O -5.308 -6.937 1.474 1.00 . A A . 6 ASN O 1 1 4 896 1 1 6 ASN OD1 O -7.402 -6.945 -0.726 1.00 . A A . 6 ASN OD1 1 1 4 897 1 1 7 ILE C C -4.068 -8.347 4.152 1.00 . A A . 7 ILE C 1 1 4 898 1 1 7 ILE CA C -3.816 -6.827 3.875 1.00 . A A . 7 ILE CA 1 1 4 899 1 1 7 ILE CB C -2.885 -6.156 4.979 1.00 . A A . 7 ILE CB 1 1 4 900 1 1 7 ILE CD1 C -2.538 -4.236 6.753 1.00 . A A . 7 ILE CD1 1 1 4 901 1 1 7 ILE CG1 C -3.368 -4.804 5.586 1.00 . A A . 7 ILE CG1 1 1 4 902 1 1 7 ILE CG2 C -1.424 -6.089 4.466 1.00 . A A . 7 ILE CG2 1 1 4 903 1 1 7 ILE H H -5.510 -5.436 4.212 1.00 . A A . 7 ILE H 1 1 4 904 1 1 7 ILE HA H -3.235 -6.801 2.928 1.00 . A A . 7 ILE HA 1 1 4 905 1 1 7 ILE HB H -2.832 -6.831 5.855 1.00 . A A . 7 ILE HB 1 1 4 906 1 1 7 ILE HD11 H -2.413 -4.967 7.572 1.00 . A A . 7 ILE HD11 1 1 4 907 1 1 7 ILE HD12 H -1.525 -3.933 6.427 1.00 . A A . 7 ILE HD12 1 1 4 908 1 1 7 ILE HD13 H -3.009 -3.332 7.182 1.00 . A A . 7 ILE HD13 1 1 4 909 1 1 7 ILE HG12 H -3.445 -4.049 4.785 1.00 . A A . 7 ILE HG12 1 1 4 910 1 1 7 ILE HG13 H -4.401 -4.934 5.956 1.00 . A A . 7 ILE HG13 1 1 4 911 1 1 7 ILE HG21 H -0.718 -5.730 5.237 1.00 . A A . 7 ILE HG21 1 1 4 912 1 1 7 ILE HG22 H -1.055 -7.083 4.150 1.00 . A A . 7 ILE HG22 1 1 4 913 1 1 7 ILE HG23 H -1.319 -5.419 3.596 1.00 . A A . 7 ILE HG23 1 1 4 914 1 1 7 ILE N N -5.098 -6.107 3.561 1.00 . A A . 7 ILE N 1 1 4 915 1 1 7 ILE O O -3.735 -9.178 3.306 1.00 . A A . 7 ILE O 1 1 4 916 1 1 8 ARG C C -4.850 -11.278 4.865 1.00 . A A . 8 ARG C 1 1 4 917 1 1 8 ARG CA C -5.172 -10.012 5.737 1.00 . A A . 8 ARG CA 1 1 4 918 1 1 8 ARG CB C -6.669 -9.927 6.200 1.00 . A A . 8 ARG CB 1 1 4 919 1 1 8 ARG CD C -7.589 -7.380 6.039 1.00 . A A . 8 ARG CD 1 1 4 920 1 1 8 ARG CG C -7.644 -8.870 5.596 1.00 . A A . 8 ARG CG 1 1 4 921 1 1 8 ARG CZ C -6.830 -5.937 7.957 1.00 . A A . 8 ARG CZ 1 1 4 922 1 1 8 ARG H H -4.904 -7.833 5.864 1.00 . A A . 8 ARG H 1 1 4 923 1 1 8 ARG HA H -4.648 -10.209 6.690 1.00 . A A . 8 ARG HA 1 1 4 924 1 1 8 ARG HB2 H -7.139 -10.918 6.046 1.00 . A A . 8 ARG HB2 1 1 4 925 1 1 8 ARG HB3 H -6.701 -9.841 7.302 1.00 . A A . 8 ARG HB3 1 1 4 926 1 1 8 ARG HD2 H -7.044 -6.809 5.266 1.00 . A A . 8 ARG HD2 1 1 4 927 1 1 8 ARG HD3 H -8.622 -6.974 6.011 1.00 . A A . 8 ARG HD3 1 1 4 928 1 1 8 ARG HE H -6.546 -7.898 7.900 1.00 . A A . 8 ARG HE 1 1 4 929 1 1 8 ARG HG2 H -7.548 -8.907 4.492 1.00 . A A . 8 ARG HG2 1 1 4 930 1 1 8 ARG HG3 H -8.671 -9.227 5.794 1.00 . A A . 8 ARG HG3 1 1 4 931 1 1 8 ARG HH11 H -7.939 -4.966 6.661 1.00 . A A . 8 ARG HH11 1 1 4 932 1 1 8 ARG HH12 H -7.231 -3.974 8.025 1.00 . A A . 8 ARG HH12 1 1 4 933 1 1 8 ARG HH21 H -5.735 -6.734 9.415 1.00 . A A . 8 ARG HH21 1 1 4 934 1 1 8 ARG HH22 H -6.046 -4.946 9.495 1.00 . A A . 8 ARG HH22 1 1 4 935 1 1 8 ARG N N -4.655 -8.668 5.328 1.00 . A A . 8 ARG N 1 1 4 936 1 1 8 ARG NE N -6.969 -7.128 7.374 1.00 . A A . 8 ARG NE 1 1 4 937 1 1 8 ARG NH1 N -7.353 -4.833 7.485 1.00 . A A . 8 ARG NH1 1 1 4 938 1 1 8 ARG NH2 N -6.141 -5.866 9.059 1.00 . A A . 8 ARG NH2 1 1 4 939 1 1 8 ARG O O -5.658 -11.697 4.028 1.00 . A A . 8 ARG O 1 1 4 940 1 1 9 LYS C C -3.799 -14.400 4.649 1.00 . A A . 9 LYS C 1 1 4 941 1 1 9 LYS CA C -3.168 -13.029 4.258 1.00 . A A . 9 LYS CA 1 1 4 942 1 1 9 LYS CB C -1.614 -12.956 4.276 1.00 . A A . 9 LYS CB 1 1 4 943 1 1 9 LYS CD C -1.016 -14.109 1.968 1.00 . A A . 9 LYS CD 1 1 4 944 1 1 9 LYS CE C -2.052 -15.171 1.541 1.00 . A A . 9 LYS CE 1 1 4 945 1 1 9 LYS CG C -0.797 -14.022 3.498 1.00 . A A . 9 LYS CG 1 1 4 946 1 1 9 LYS H H -3.050 -11.394 5.739 1.00 . A A . 9 LYS H 1 1 4 947 1 1 9 LYS HA H -3.488 -12.864 3.214 1.00 . A A . 9 LYS HA 1 1 4 948 1 1 9 LYS HB2 H -1.298 -11.955 3.916 1.00 . A A . 9 LYS HB2 1 1 4 949 1 1 9 LYS HB3 H -1.272 -12.992 5.330 1.00 . A A . 9 LYS HB3 1 1 4 950 1 1 9 LYS HD2 H -1.270 -13.107 1.567 1.00 . A A . 9 LYS HD2 1 1 4 951 1 1 9 LYS HD3 H -0.036 -14.353 1.507 1.00 . A A . 9 LYS HD3 1 1 4 952 1 1 9 LYS HE2 H -1.793 -16.158 1.988 1.00 . A A . 9 LYS HE2 1 1 4 953 1 1 9 LYS HE3 H -3.054 -14.930 1.956 1.00 . A A . 9 LYS HE3 1 1 4 954 1 1 9 LYS HG2 H 0.272 -13.790 3.674 1.00 . A A . 9 LYS HG2 1 1 4 955 1 1 9 LYS HG3 H -0.918 -15.016 3.975 1.00 . A A . 9 LYS HG3 1 1 4 956 1 1 9 LYS HZ1 H -1.200 -15.534 -0.352 1.00 . A A . 9 LYS HZ1 1 1 4 957 1 1 9 LYS HZ2 H -2.791 -15.939 -0.293 1.00 . A A . 9 LYS HZ2 1 1 4 958 1 1 9 LYS HZ3 H -2.339 -14.359 -0.385 1.00 . A A . 9 LYS HZ3 1 1 4 959 1 1 9 LYS N N -3.663 -11.885 5.082 1.00 . A A . 9 LYS N 1 1 4 960 1 1 9 LYS NZ N -2.103 -15.258 0.056 1.00 . A A . 9 LYS NZ 1 1 4 961 1 1 9 LYS O O -3.174 -15.291 5.228 1.00 . A A . 9 LYS O 1 1 4 962 1 1 10 VAL C C -7.080 -15.776 3.524 1.00 . A A . 10 VAL C 1 1 4 963 1 1 10 VAL CA C -5.932 -15.697 4.593 1.00 . A A . 10 VAL CA 1 1 4 964 1 1 10 VAL CB C -6.281 -15.680 6.137 1.00 . A A . 10 VAL CB 1 1 4 965 1 1 10 VAL CG1 C -7.737 -15.399 6.555 1.00 . A A . 10 VAL CG1 1 1 4 966 1 1 10 VAL CG2 C -5.786 -16.967 6.811 1.00 . A A . 10 VAL CG2 1 1 4 967 1 1 10 VAL H H -5.489 -13.621 4.039 1.00 . A A . 10 VAL H 1 1 4 968 1 1 10 VAL HA H -5.325 -16.601 4.382 1.00 . A A . 10 VAL HA 1 1 4 969 1 1 10 VAL HB H -5.699 -14.878 6.637 1.00 . A A . 10 VAL HB 1 1 4 970 1 1 10 VAL HG11 H -7.855 -15.409 7.653 1.00 . A A . 10 VAL HG11 1 1 4 971 1 1 10 VAL HG12 H -8.064 -14.399 6.219 1.00 . A A . 10 VAL HG12 1 1 4 972 1 1 10 VAL HG13 H -8.434 -16.147 6.134 1.00 . A A . 10 VAL HG13 1 1 4 973 1 1 10 VAL HG21 H -4.698 -17.094 6.643 1.00 . A A . 10 VAL HG21 1 1 4 974 1 1 10 VAL HG22 H -5.933 -16.939 7.905 1.00 . A A . 10 VAL HG22 1 1 4 975 1 1 10 VAL HG23 H -6.293 -17.862 6.410 1.00 . A A . 10 VAL HG23 1 1 4 976 1 1 10 VAL N N -5.073 -14.534 4.259 1.00 . A A . 10 VAL N 1 1 4 977 1 1 10 VAL O O -7.086 -16.701 2.710 1.00 . A A . 10 VAL O 1 1 4 978 1 1 11 ARG C C -9.971 -15.795 2.116 1.00 . A A . 11 ARG C 1 1 4 979 1 1 11 ARG CA C -9.000 -14.593 2.383 1.00 . A A . 11 ARG CA 1 1 4 980 1 1 11 ARG CB C -8.331 -14.024 1.092 1.00 . A A . 11 ARG CB 1 1 4 981 1 1 11 ARG CD C -8.292 -11.450 1.724 1.00 . A A . 11 ARG CD 1 1 4 982 1 1 11 ARG CG C -7.535 -12.691 1.194 1.00 . A A . 11 ARG CG 1 1 4 983 1 1 11 ARG CZ C -9.391 -10.270 -0.211 1.00 . A A . 11 ARG CZ 1 1 4 984 1 1 11 ARG H H -7.850 -14.076 4.205 1.00 . A A . 11 ARG H 1 1 4 985 1 1 11 ARG HA H -9.676 -13.791 2.734 1.00 . A A . 11 ARG HA 1 1 4 986 1 1 11 ARG HB2 H -7.663 -14.805 0.678 1.00 . A A . 11 ARG HB2 1 1 4 987 1 1 11 ARG HB3 H -9.109 -13.902 0.313 1.00 . A A . 11 ARG HB3 1 1 4 988 1 1 11 ARG HD2 H -8.650 -11.651 2.753 1.00 . A A . 11 ARG HD2 1 1 4 989 1 1 11 ARG HD3 H -7.584 -10.608 1.870 1.00 . A A . 11 ARG HD3 1 1 4 990 1 1 11 ARG HE H -10.393 -11.400 1.070 1.00 . A A . 11 ARG HE 1 1 4 991 1 1 11 ARG HG2 H -6.648 -12.859 1.836 1.00 . A A . 11 ARG HG2 1 1 4 992 1 1 11 ARG HG3 H -7.106 -12.461 0.200 1.00 . A A . 11 ARG HG3 1 1 4 993 1 1 11 ARG HH11 H -7.457 -9.962 -0.097 1.00 . A A . 11 ARG HH11 1 1 4 994 1 1 11 ARG HH12 H -8.321 -9.064 -1.423 1.00 . A A . 11 ARG HH12 1 1 4 995 1 1 11 ARG HH21 H -11.352 -10.439 -0.494 1.00 . A A . 11 ARG HH21 1 1 4 996 1 1 11 ARG HH22 H -10.418 -9.433 -1.689 1.00 . A A . 11 ARG HH22 1 1 4 997 1 1 11 ARG N N -7.996 -14.780 3.476 1.00 . A A . 11 ARG N 1 1 4 998 1 1 11 ARG NE N -9.450 -11.055 0.867 1.00 . A A . 11 ARG NE 1 1 4 999 1 1 11 ARG NH1 N -8.280 -9.746 -0.661 1.00 . A A . 11 ARG NH1 1 1 4 1000 1 1 11 ARG NH2 N -10.495 -10.011 -0.849 1.00 . A A . 11 ARG NH2 1 1 4 1001 1 1 11 ARG O O -10.033 -16.379 1.037 1.00 . A A . 11 ARG O 1 1 4 1002 1 1 12 NH2 HN1 H -11.343 -17.018 2.801 1.00 . A A . 12 NH2 HN1 1 1 4 1003 1 1 12 NH2 HN2 H -10.647 -15.812 4.001 1.00 . A A . 12 NH2 HN2 1 1 4 1004 1 1 12 NH2 N N -10.803 -16.187 3.062 1.00 . A A . 12 NH2 N 1 1 4 1005 2 2 1 DAO C1 C -0.655 1.151 0.458 1.00 . B A . 13 DAO C1 1 1 4 1006 2 2 1 DAO C10 C -6.726 6.980 -0.144 1.00 . B A . 13 DAO C10 1 1 4 1007 2 2 1 DAO C11 C -6.864 8.262 -0.989 1.00 . B A . 13 DAO C11 1 1 4 1008 2 2 1 DAO C12 C -7.344 9.485 -0.191 1.00 . B A . 13 DAO C12 1 1 4 1009 2 2 1 DAO C2 C -1.672 0.476 1.370 1.00 . B A . 13 DAO C2 1 1 4 1010 2 2 1 DAO C3 C -3.017 1.161 1.644 1.00 . B A . 13 DAO C3 1 1 4 1011 2 2 1 DAO C4 C -2.884 2.488 2.410 1.00 . B A . 13 DAO C4 1 1 4 1012 2 2 1 DAO C5 C -4.233 2.983 2.967 1.00 . B A . 13 DAO C5 1 1 4 1013 2 2 1 DAO C6 C -4.200 4.418 3.540 1.00 . B A . 13 DAO C6 1 1 4 1014 2 2 1 DAO C7 C -4.170 5.568 2.506 1.00 . B A . 13 DAO C7 1 1 4 1015 2 2 1 DAO C8 C -5.445 5.677 1.643 1.00 . B A . 13 DAO C8 1 1 4 1016 2 2 1 DAO C9 C -5.485 6.948 0.773 1.00 . B A . 13 DAO C9 1 1 4 1017 2 2 1 DAO H101 H -6.681 6.112 -0.830 1.00 . B A . 13 DAO H101 1 1 4 1018 2 2 1 DAO H102 H -7.649 6.827 0.450 1.00 . B A . 13 DAO H102 1 1 4 1019 2 2 1 DAO H111 H -5.908 8.491 -1.500 1.00 . B A . 13 DAO H111 1 1 4 1020 2 2 1 DAO H112 H -7.586 8.074 -1.807 1.00 . B A . 13 DAO H112 1 1 4 1021 2 2 1 DAO H121 H -8.321 9.300 0.293 1.00 . B A . 13 DAO H121 1 1 4 1022 2 2 1 DAO H122 H -6.629 9.769 0.603 1.00 . B A . 13 DAO H122 1 1 4 1023 2 2 1 DAO H123 H -7.468 10.368 -0.845 1.00 . B A . 13 DAO H123 1 1 4 1024 2 2 1 DAO H21 H -1.870 -0.511 0.928 1.00 . B A . 13 DAO H21 1 1 4 1025 2 2 1 DAO H22 H -1.179 0.266 2.336 1.00 . B A . 13 DAO H22 1 1 4 1026 2 2 1 DAO H31 H -3.546 1.319 0.686 1.00 . B A . 13 DAO H31 1 1 4 1027 2 2 1 DAO H32 H -3.634 0.444 2.218 1.00 . B A . 13 DAO H32 1 1 4 1028 2 2 1 DAO H41 H -2.159 2.356 3.235 1.00 . B A . 13 DAO H41 1 1 4 1029 2 2 1 DAO H42 H -2.435 3.246 1.739 1.00 . B A . 13 DAO H42 1 1 4 1030 2 2 1 DAO H51 H -4.556 2.289 3.766 1.00 . B A . 13 DAO H51 1 1 4 1031 2 2 1 DAO H52 H -5.020 2.905 2.194 1.00 . B A . 13 DAO H52 1 1 4 1032 2 2 1 DAO H61 H -5.079 4.561 4.196 1.00 . B A . 13 DAO H61 1 1 4 1033 2 2 1 DAO H62 H -3.332 4.518 4.221 1.00 . B A . 13 DAO H62 1 1 4 1034 2 2 1 DAO H71 H -4.020 6.519 3.053 1.00 . B A . 13 DAO H71 1 1 4 1035 2 2 1 DAO H72 H -3.280 5.472 1.854 1.00 . B A . 13 DAO H72 1 1 4 1036 2 2 1 DAO H81 H -5.525 4.785 0.993 1.00 . B A . 13 DAO H81 1 1 4 1037 2 2 1 DAO H82 H -6.340 5.654 2.295 1.00 . B A . 13 DAO H82 1 1 4 1038 2 2 1 DAO H91 H -4.567 7.014 0.156 1.00 . B A . 13 DAO H91 1 1 4 1039 2 2 1 DAO H92 H -5.470 7.841 1.426 1.00 . B A . 13 DAO H92 1 1 4 1040 2 2 1 DAO O1 O -0.932 2.071 -0.311 1.00 . B A . 13 DAO O1 1 1 5 1041 1 1 1 PHE C C 4.079 -1.040 -0.058 1.00 . A A . 1 PHE C 1 1 5 1042 1 1 1 PHE CA C 4.777 -2.326 0.478 1.00 . A A . 1 PHE CA 1 1 5 1043 1 1 1 PHE CB C 5.778 -2.999 -0.524 1.00 . A A . 1 PHE CB 1 1 5 1044 1 1 1 PHE CD1 C 6.953 -4.794 0.869 1.00 . A A . 1 PHE CD1 1 1 5 1045 1 1 1 PHE CD2 C 5.755 -5.469 -1.117 1.00 . A A . 1 PHE CD2 1 1 5 1046 1 1 1 PHE CE1 C 7.251 -6.128 1.139 1.00 . A A . 1 PHE CE1 1 1 5 1047 1 1 1 PHE CE2 C 6.058 -6.800 -0.849 1.00 . A A . 1 PHE CE2 1 1 5 1048 1 1 1 PHE CG C 6.200 -4.457 -0.259 1.00 . A A . 1 PHE CG 1 1 5 1049 1 1 1 PHE CZ C 6.806 -7.130 0.278 1.00 . A A . 1 PHE CZ 1 1 5 1050 1 1 1 PHE H1 H 4.081 -4.223 0.967 1.00 . A A . 1 PHE H1 1 1 5 1051 1 1 1 PHE HA H 5.401 -2.008 1.337 1.00 . A A . 1 PHE HA 1 1 5 1052 1 1 1 PHE HB2 H 5.385 -2.929 -1.556 1.00 . A A . 1 PHE HB2 1 1 5 1053 1 1 1 PHE HB3 H 6.691 -2.378 -0.566 1.00 . A A . 1 PHE HB3 1 1 5 1054 1 1 1 PHE HD1 H 7.284 -4.028 1.557 1.00 . A A . 1 PHE HD1 1 1 5 1055 1 1 1 PHE HD2 H 5.156 -5.233 -1.984 1.00 . A A . 1 PHE HD2 1 1 5 1056 1 1 1 PHE HE1 H 7.817 -6.379 2.022 1.00 . A A . 1 PHE HE1 1 1 5 1057 1 1 1 PHE HE2 H 5.698 -7.569 -1.517 1.00 . A A . 1 PHE HE2 1 1 5 1058 1 1 1 PHE HZ H 7.035 -8.165 0.489 1.00 . A A . 1 PHE HZ 1 1 5 1059 1 1 1 PHE N N 3.728 -3.261 0.983 1.00 . A A . 1 PHE N 1 1 5 1060 1 1 1 PHE O O 4.093 -0.002 0.606 1.00 . A A . 1 PHE O 1 1 5 1061 1 1 2 GLN C C 1.404 -0.450 -2.707 1.00 . A A . 2 GLN C 1 1 5 1062 1 1 2 GLN CA C 2.665 -0.001 -1.869 1.00 . A A . 2 GLN CA 1 1 5 1063 1 1 2 GLN CB C 3.577 0.894 -2.744 1.00 . A A . 2 GLN CB 1 1 5 1064 1 1 2 GLN CD C 5.532 2.592 -2.875 1.00 . A A . 2 GLN CD 1 1 5 1065 1 1 2 GLN CG C 4.757 1.583 -2.024 1.00 . A A . 2 GLN CG 1 1 5 1066 1 1 2 GLN H H 3.425 -2.099 -1.570 1.00 . A A . 2 GLN H 1 1 5 1067 1 1 2 GLN HA H 2.249 0.637 -1.063 1.00 . A A . 2 GLN HA 1 1 5 1068 1 1 2 GLN HB2 H 3.940 0.291 -3.595 1.00 . A A . 2 GLN HB2 1 1 5 1069 1 1 2 GLN HB3 H 2.932 1.685 -3.173 1.00 . A A . 2 GLN HB3 1 1 5 1070 1 1 2 GLN HE21 H 6.875 1.207 -3.413 1.00 . A A . 2 GLN HE21 1 1 5 1071 1 1 2 GLN HE22 H 7.065 2.924 -4.057 1.00 . A A . 2 GLN HE22 1 1 5 1072 1 1 2 GLN HG2 H 4.360 2.100 -1.131 1.00 . A A . 2 GLN HG2 1 1 5 1073 1 1 2 GLN HG3 H 5.437 0.809 -1.625 1.00 . A A . 2 GLN HG3 1 1 5 1074 1 1 2 GLN N N 3.460 -1.124 -1.251 1.00 . A A . 2 GLN N 1 1 5 1075 1 1 2 GLN NE2 N 6.608 2.190 -3.510 1.00 . A A . 2 GLN NE2 1 1 5 1076 1 1 2 GLN O O 0.922 0.238 -3.611 1.00 . A A . 2 GLN O 1 1 5 1077 1 1 2 GLN OE1 O 5.182 3.762 -2.975 1.00 . A A . 2 GLN OE1 1 1 5 1078 1 1 3 TRP C C -1.739 -1.114 -2.372 1.00 . A A . 3 TRP C 1 1 5 1079 1 1 3 TRP CA C -0.521 -2.050 -2.720 1.00 . A A . 3 TRP CA 1 1 5 1080 1 1 3 TRP CB C -0.630 -3.461 -2.058 1.00 . A A . 3 TRP CB 1 1 5 1081 1 1 3 TRP CD1 C -1.908 -4.599 -0.124 1.00 . A A . 3 TRP CD1 1 1 5 1082 1 1 3 TRP CD2 C -0.858 -2.741 0.554 1.00 . A A . 3 TRP CD2 1 1 5 1083 1 1 3 TRP CE2 C -1.696 -3.243 1.585 1.00 . A A . 3 TRP CE2 1 1 5 1084 1 1 3 TRP CE3 C -0.057 -1.575 0.801 1.00 . A A . 3 TRP CE3 1 1 5 1085 1 1 3 TRP CG C -1.038 -3.577 -0.563 1.00 . A A . 3 TRP CG 1 1 5 1086 1 1 3 TRP CH2 C -0.990 -1.456 3.046 1.00 . A A . 3 TRP CH2 1 1 5 1087 1 1 3 TRP CZ2 C -1.773 -2.586 2.828 1.00 . A A . 3 TRP CZ2 1 1 5 1088 1 1 3 TRP CZ3 C -0.140 -0.965 2.053 1.00 . A A . 3 TRP CZ3 1 1 5 1089 1 1 3 TRP H H 1.339 -1.961 -1.520 1.00 . A A . 3 TRP H 1 1 5 1090 1 1 3 TRP HA H -0.515 -2.186 -3.819 1.00 . A A . 3 TRP HA 1 1 5 1091 1 1 3 TRP HB2 H -1.388 -4.012 -2.647 1.00 . A A . 3 TRP HB2 1 1 5 1092 1 1 3 TRP HB3 H 0.273 -4.057 -2.253 1.00 . A A . 3 TRP HB3 1 1 5 1093 1 1 3 TRP HD1 H -2.203 -5.456 -0.715 1.00 . A A . 3 TRP HD1 1 1 5 1094 1 1 3 TRP HE1 H -2.804 -5.080 1.799 1.00 . A A . 3 TRP HE1 1 1 5 1095 1 1 3 TRP HE3 H 0.623 -1.138 0.079 1.00 . A A . 3 TRP HE3 1 1 5 1096 1 1 3 TRP HH2 H -1.030 -0.955 4.003 1.00 . A A . 3 TRP HH2 1 1 5 1097 1 1 3 TRP HZ2 H -2.429 -2.958 3.595 1.00 . A A . 3 TRP HZ2 1 1 5 1098 1 1 3 TRP HZ3 H 0.472 -0.105 2.273 1.00 . A A . 3 TRP HZ3 1 1 5 1099 1 1 3 TRP N N 0.837 -1.594 -2.334 1.00 . A A . 3 TRP N 1 1 5 1100 1 1 3 TRP NE1 N -2.349 -4.392 1.187 1.00 . A A . 3 TRP NE1 1 1 5 1101 1 1 3 TRP O O -1.605 -0.067 -1.732 1.00 . A A . 3 TRP O 1 1 5 1102 1 1 4 GLN C C -4.579 -1.547 -0.770 1.00 . A A . 4 GLN C 1 1 5 1103 1 1 4 GLN CA C -4.223 -1.008 -2.197 1.00 . A A . 4 GLN CA 1 1 5 1104 1 1 4 GLN CB C -5.309 -1.207 -3.303 1.00 . A A . 4 GLN CB 1 1 5 1105 1 1 4 GLN CD C -6.546 0.947 -4.151 1.00 . A A . 4 GLN CD 1 1 5 1106 1 1 4 GLN CG C -5.386 -0.049 -4.326 1.00 . A A . 4 GLN CG 1 1 5 1107 1 1 4 GLN H H -2.924 -2.391 -3.344 1.00 . A A . 4 GLN H 1 1 5 1108 1 1 4 GLN HA H -4.099 0.084 -2.043 1.00 . A A . 4 GLN HA 1 1 5 1109 1 1 4 GLN HB2 H -5.160 -2.166 -3.839 1.00 . A A . 4 GLN HB2 1 1 5 1110 1 1 4 GLN HB3 H -6.314 -1.332 -2.855 1.00 . A A . 4 GLN HB3 1 1 5 1111 1 1 4 GLN HE21 H -6.174 1.169 -2.202 1.00 . A A . 4 GLN HE21 1 1 5 1112 1 1 4 GLN HE22 H -7.609 2.058 -2.928 1.00 . A A . 4 GLN HE22 1 1 5 1113 1 1 4 GLN HG2 H -4.434 0.510 -4.369 1.00 . A A . 4 GLN HG2 1 1 5 1114 1 1 4 GLN HG3 H -5.470 -0.513 -5.323 1.00 . A A . 4 GLN HG3 1 1 5 1115 1 1 4 GLN N N -2.952 -1.573 -2.727 1.00 . A A . 4 GLN N 1 1 5 1116 1 1 4 GLN NE2 N -6.745 1.512 -2.979 1.00 . A A . 4 GLN NE2 1 1 5 1117 1 1 4 GLN O O -4.078 -1.020 0.227 1.00 . A A . 4 GLN O 1 1 5 1118 1 1 4 GLN OE1 O -7.304 1.221 -5.073 1.00 . A A . 4 GLN OE1 1 1 5 1119 1 1 5 ARG C C -6.463 -4.487 0.631 1.00 . A A . 5 ARG C 1 1 5 1120 1 1 5 ARG CA C -6.043 -2.978 0.657 1.00 . A A . 5 ARG CA 1 1 5 1121 1 1 5 ARG CB C -7.172 -1.984 1.059 1.00 . A A . 5 ARG CB 1 1 5 1122 1 1 5 ARG CD C -7.861 -1.120 3.437 1.00 . A A . 5 ARG CD 1 1 5 1123 1 1 5 ARG CG C -7.865 -2.275 2.415 1.00 . A A . 5 ARG CG 1 1 5 1124 1 1 5 ARG CZ C -6.199 -1.608 5.266 1.00 . A A . 5 ARG CZ 1 1 5 1125 1 1 5 ARG H H -5.866 -2.830 -1.559 1.00 . A A . 5 ARG H 1 1 5 1126 1 1 5 ARG HA H -5.256 -2.893 1.436 1.00 . A A . 5 ARG HA 1 1 5 1127 1 1 5 ARG HB2 H -6.757 -0.957 1.059 1.00 . A A . 5 ARG HB2 1 1 5 1128 1 1 5 ARG HB3 H -7.939 -1.967 0.259 1.00 . A A . 5 ARG HB3 1 1 5 1129 1 1 5 ARG HD2 H -8.104 -0.166 2.926 1.00 . A A . 5 ARG HD2 1 1 5 1130 1 1 5 ARG HD3 H -8.696 -1.239 4.158 1.00 . A A . 5 ARG HD3 1 1 5 1131 1 1 5 ARG HE H -5.812 -0.392 3.742 1.00 . A A . 5 ARG HE 1 1 5 1132 1 1 5 ARG HG2 H -8.908 -2.558 2.182 1.00 . A A . 5 ARG HG2 1 1 5 1133 1 1 5 ARG HG3 H -7.443 -3.190 2.875 1.00 . A A . 5 ARG HG3 1 1 5 1134 1 1 5 ARG HH11 H -7.879 -2.599 5.443 1.00 . A A . 5 ARG HH11 1 1 5 1135 1 1 5 ARG HH12 H -6.652 -2.859 6.777 1.00 . A A . 5 ARG HH12 1 1 5 1136 1 1 5 ARG HH21 H -4.447 -0.679 5.274 1.00 . A A . 5 ARG HH21 1 1 5 1137 1 1 5 ARG HH22 H -4.796 -1.809 6.658 1.00 . A A . 5 ARG HH22 1 1 5 1138 1 1 5 ARG N N -5.483 -2.538 -0.653 1.00 . A A . 5 ARG N 1 1 5 1139 1 1 5 ARG NE N -6.543 -0.997 4.129 1.00 . A A . 5 ARG NE 1 1 5 1140 1 1 5 ARG NH1 N -6.978 -2.449 5.901 1.00 . A A . 5 ARG NH1 1 1 5 1141 1 1 5 ARG NH2 N -5.027 -1.358 5.771 1.00 . A A . 5 ARG NH2 1 1 5 1142 1 1 5 ARG O O -7.638 -4.850 0.734 1.00 . A A . 5 ARG O 1 1 5 1143 1 1 6 ASN C C -4.202 -7.402 1.159 1.00 . A A . 6 ASN C 1 1 5 1144 1 1 6 ASN CA C -5.608 -6.830 0.781 1.00 . A A . 6 ASN CA 1 1 5 1145 1 1 6 ASN CB C -6.254 -7.505 -0.465 1.00 . A A . 6 ASN CB 1 1 5 1146 1 1 6 ASN CG C -6.671 -8.962 -0.245 1.00 . A A . 6 ASN CG 1 1 5 1147 1 1 6 ASN H H -4.554 -4.892 0.461 1.00 . A A . 6 ASN H 1 1 5 1148 1 1 6 ASN HA H -6.290 -6.995 1.641 1.00 . A A . 6 ASN HA 1 1 5 1149 1 1 6 ASN HB2 H -7.169 -6.956 -0.751 1.00 . A A . 6 ASN HB2 1 1 5 1150 1 1 6 ASN HB3 H -5.591 -7.413 -1.347 1.00 . A A . 6 ASN HB3 1 1 5 1151 1 1 6 ASN HD21 H -4.896 -9.603 -0.841 1.00 . A A . 6 ASN HD21 1 1 5 1152 1 1 6 ASN HD22 H -6.154 -10.834 -0.293 1.00 . A A . 6 ASN HD22 1 1 5 1153 1 1 6 ASN N N -5.457 -5.365 0.563 1.00 . A A . 6 ASN N 1 1 5 1154 1 1 6 ASN ND2 N -5.845 -9.913 -0.604 1.00 . A A . 6 ASN ND2 1 1 5 1155 1 1 6 ASN O O -3.476 -7.906 0.297 1.00 . A A . 6 ASN O 1 1 5 1156 1 1 6 ASN OD1 O -7.732 -9.265 0.287 1.00 . A A . 6 ASN OD1 1 1 5 1157 1 1 7 ILE C C -2.591 -9.256 3.467 1.00 . A A . 7 ILE C 1 1 5 1158 1 1 7 ILE CA C -2.472 -7.790 2.934 1.00 . A A . 7 ILE CA 1 1 5 1159 1 1 7 ILE CB C -1.739 -6.854 3.992 1.00 . A A . 7 ILE CB 1 1 5 1160 1 1 7 ILE CD1 C -1.893 -4.791 5.646 1.00 . A A . 7 ILE CD1 1 1 5 1161 1 1 7 ILE CG1 C -2.583 -5.703 4.613 1.00 . A A . 7 ILE CG1 1 1 5 1162 1 1 7 ILE CG2 C -0.370 -6.398 3.454 1.00 . A A . 7 ILE CG2 1 1 5 1163 1 1 7 ILE H H -4.503 -6.933 3.098 1.00 . A A . 7 ILE H 1 1 5 1164 1 1 7 ILE HA H -1.809 -7.833 2.049 1.00 . A A . 7 ILE HA 1 1 5 1165 1 1 7 ILE HB H -1.459 -7.471 4.866 1.00 . A A . 7 ILE HB 1 1 5 1166 1 1 7 ILE HD11 H -1.484 -5.357 6.497 1.00 . A A . 7 ILE HD11 1 1 5 1167 1 1 7 ILE HD12 H -1.054 -4.224 5.197 1.00 . A A . 7 ILE HD12 1 1 5 1168 1 1 7 ILE HD13 H -2.593 -4.039 6.052 1.00 . A A . 7 ILE HD13 1 1 5 1169 1 1 7 ILE HG12 H -2.987 -5.080 3.799 1.00 . A A . 7 ILE HG12 1 1 5 1170 1 1 7 ILE HG13 H -3.475 -6.150 5.088 1.00 . A A . 7 ILE HG13 1 1 5 1171 1 1 7 ILE HG21 H 0.231 -7.250 3.086 1.00 . A A . 7 ILE HG21 1 1 5 1172 1 1 7 ILE HG22 H -0.462 -5.676 2.626 1.00 . A A . 7 ILE HG22 1 1 5 1173 1 1 7 ILE HG23 H 0.226 -5.922 4.247 1.00 . A A . 7 ILE HG23 1 1 5 1174 1 1 7 ILE N N -3.805 -7.301 2.444 1.00 . A A . 7 ILE N 1 1 5 1175 1 1 7 ILE O O -2.036 -10.206 2.912 1.00 . A A . 7 ILE O 1 1 5 1176 1 1 8 ARG C C -4.680 -11.390 5.101 1.00 . A A . 8 ARG C 1 1 5 1177 1 1 8 ARG CA C -3.372 -10.613 5.419 1.00 . A A . 8 ARG CA 1 1 5 1178 1 1 8 ARG CB C -3.178 -10.246 6.920 1.00 . A A . 8 ARG CB 1 1 5 1179 1 1 8 ARG CD C -3.196 -8.299 8.673 1.00 . A A . 8 ARG CD 1 1 5 1180 1 1 8 ARG CG C -3.918 -8.998 7.505 1.00 . A A . 8 ARG CG 1 1 5 1181 1 1 8 ARG CZ C -1.049 -7.016 8.933 1.00 . A A . 8 ARG CZ 1 1 5 1182 1 1 8 ARG H H -3.700 -8.499 4.903 1.00 . A A . 8 ARG H 1 1 5 1183 1 1 8 ARG HA H -2.494 -11.250 5.196 1.00 . A A . 8 ARG HA 1 1 5 1184 1 1 8 ARG HB2 H -3.410 -11.127 7.550 1.00 . A A . 8 ARG HB2 1 1 5 1185 1 1 8 ARG HB3 H -2.087 -10.134 7.062 1.00 . A A . 8 ARG HB3 1 1 5 1186 1 1 8 ARG HD2 H -3.831 -7.458 9.021 1.00 . A A . 8 ARG HD2 1 1 5 1187 1 1 8 ARG HD3 H -3.095 -9.000 9.525 1.00 . A A . 8 ARG HD3 1 1 5 1188 1 1 8 ARG HE H -1.473 -8.188 7.354 1.00 . A A . 8 ARG HE 1 1 5 1189 1 1 8 ARG HG2 H -4.100 -8.228 6.730 1.00 . A A . 8 ARG HG2 1 1 5 1190 1 1 8 ARG HG3 H -4.940 -9.296 7.805 1.00 . A A . 8 ARG HG3 1 1 5 1191 1 1 8 ARG HH11 H -2.287 -6.777 10.441 1.00 . A A . 8 ARG HH11 1 1 5 1192 1 1 8 ARG HH12 H -0.681 -5.912 10.572 1.00 . A A . 8 ARG HH12 1 1 5 1193 1 1 8 ARG HH21 H 0.361 -7.145 7.538 1.00 . A A . 8 ARG HH21 1 1 5 1194 1 1 8 ARG HH22 H 0.730 -6.131 9.001 1.00 . A A . 8 ARG HH22 1 1 5 1195 1 1 8 ARG N N -3.298 -9.386 4.596 1.00 . A A . 8 ARG N 1 1 5 1196 1 1 8 ARG NE N -1.860 -7.808 8.228 1.00 . A A . 8 ARG NE 1 1 5 1197 1 1 8 ARG NH1 N -1.365 -6.504 10.096 1.00 . A A . 8 ARG NH1 1 1 5 1198 1 1 8 ARG NH2 N 0.121 -6.730 8.440 1.00 . A A . 8 ARG NH2 1 1 5 1199 1 1 8 ARG O O -5.747 -11.098 5.656 1.00 . A A . 8 ARG O 1 1 5 1200 1 1 9 LYS C C -6.187 -14.297 4.797 1.00 . A A . 9 LYS C 1 1 5 1201 1 1 9 LYS CA C -5.769 -13.192 3.757 1.00 . A A . 9 LYS CA 1 1 5 1202 1 1 9 LYS CB C -5.426 -13.717 2.332 1.00 . A A . 9 LYS CB 1 1 5 1203 1 1 9 LYS CD C -6.245 -15.003 0.220 1.00 . A A . 9 LYS CD 1 1 5 1204 1 1 9 LYS CE C -5.780 -14.060 -0.909 1.00 . A A . 9 LYS CE 1 1 5 1205 1 1 9 LYS CG C -6.626 -14.298 1.541 1.00 . A A . 9 LYS CG 1 1 5 1206 1 1 9 LYS H H -3.667 -12.482 3.762 1.00 . A A . 9 LYS H 1 1 5 1207 1 1 9 LYS HA H -6.637 -12.513 3.637 1.00 . A A . 9 LYS HA 1 1 5 1208 1 1 9 LYS HB2 H -4.984 -12.898 1.731 1.00 . A A . 9 LYS HB2 1 1 5 1209 1 1 9 LYS HB3 H -4.630 -14.482 2.417 1.00 . A A . 9 LYS HB3 1 1 5 1210 1 1 9 LYS HD2 H -5.476 -15.773 0.435 1.00 . A A . 9 LYS HD2 1 1 5 1211 1 1 9 LYS HD3 H -7.130 -15.579 -0.119 1.00 . A A . 9 LYS HD3 1 1 5 1212 1 1 9 LYS HE2 H -6.569 -13.304 -1.122 1.00 . A A . 9 LYS HE2 1 1 5 1213 1 1 9 LYS HE3 H -4.892 -13.475 -0.583 1.00 . A A . 9 LYS HE3 1 1 5 1214 1 1 9 LYS HG2 H -7.147 -15.042 2.178 1.00 . A A . 9 LYS HG2 1 1 5 1215 1 1 9 LYS HG3 H -7.386 -13.512 1.358 1.00 . A A . 9 LYS HG3 1 1 5 1216 1 1 9 LYS HZ1 H -4.729 -15.556 -1.961 1.00 . A A . 9 LYS HZ1 1 1 5 1217 1 1 9 LYS HZ2 H -6.276 -15.393 -2.467 1.00 . A A . 9 LYS HZ2 1 1 5 1218 1 1 9 LYS HZ3 H -5.146 -14.291 -2.924 1.00 . A A . 9 LYS HZ3 1 1 5 1219 1 1 9 LYS N N -4.589 -12.389 4.202 1.00 . A A . 9 LYS N 1 1 5 1220 1 1 9 LYS NZ N -5.466 -14.858 -2.127 1.00 . A A . 9 LYS NZ 1 1 5 1221 1 1 9 LYS O O -6.077 -15.502 4.555 1.00 . A A . 9 LYS O 1 1 5 1222 1 1 10 VAL C C -8.346 -14.137 7.787 1.00 . A A . 10 VAL C 1 1 5 1223 1 1 10 VAL CA C -7.048 -14.706 7.122 1.00 . A A . 10 VAL CA 1 1 5 1224 1 1 10 VAL CB C -5.867 -15.002 8.125 1.00 . A A . 10 VAL CB 1 1 5 1225 1 1 10 VAL CG1 C -4.866 -16.040 7.571 1.00 . A A . 10 VAL CG1 1 1 5 1226 1 1 10 VAL CG2 C -5.051 -13.783 8.625 1.00 . A A . 10 VAL CG2 1 1 5 1227 1 1 10 VAL H H -6.552 -12.821 6.048 1.00 . A A . 10 VAL H 1 1 5 1228 1 1 10 VAL HA H -7.373 -15.691 6.729 1.00 . A A . 10 VAL HA 1 1 5 1229 1 1 10 VAL HB H -6.318 -15.474 9.021 1.00 . A A . 10 VAL HB 1 1 5 1230 1 1 10 VAL HG11 H -4.108 -16.331 8.322 1.00 . A A . 10 VAL HG11 1 1 5 1231 1 1 10 VAL HG12 H -5.372 -16.972 7.257 1.00 . A A . 10 VAL HG12 1 1 5 1232 1 1 10 VAL HG13 H -4.319 -15.661 6.687 1.00 . A A . 10 VAL HG13 1 1 5 1233 1 1 10 VAL HG21 H -4.544 -13.263 7.792 1.00 . A A . 10 VAL HG21 1 1 5 1234 1 1 10 VAL HG22 H -5.671 -13.040 9.156 1.00 . A A . 10 VAL HG22 1 1 5 1235 1 1 10 VAL HG23 H -4.262 -14.084 9.340 1.00 . A A . 10 VAL HG23 1 1 5 1236 1 1 10 VAL N N -6.675 -13.839 5.960 1.00 . A A . 10 VAL N 1 1 5 1237 1 1 10 VAL O O -9.398 -14.773 7.706 1.00 . A A . 10 VAL O 1 1 5 1238 1 1 11 ARG C C -10.460 -12.787 9.850 1.00 . A A . 11 ARG C 1 1 5 1239 1 1 11 ARG CA C -9.501 -12.134 8.791 1.00 . A A . 11 ARG CA 1 1 5 1240 1 1 11 ARG CB C -10.239 -11.580 7.528 1.00 . A A . 11 ARG CB 1 1 5 1241 1 1 11 ARG CD C -9.106 -9.240 7.087 1.00 . A A . 11 ARG CD 1 1 5 1242 1 1 11 ARG CG C -9.438 -10.657 6.567 1.00 . A A . 11 ARG CG 1 1 5 1243 1 1 11 ARG CZ C -11.075 -7.980 8.042 1.00 . A A . 11 ARG CZ 1 1 5 1244 1 1 11 ARG H H -7.359 -12.516 8.357 1.00 . A A . 11 ARG H 1 1 5 1245 1 1 11 ARG HA H -9.110 -11.248 9.323 1.00 . A A . 11 ARG HA 1 1 5 1246 1 1 11 ARG HB2 H -10.616 -12.447 6.949 1.00 . A A . 11 ARG HB2 1 1 5 1247 1 1 11 ARG HB3 H -11.164 -11.056 7.835 1.00 . A A . 11 ARG HB3 1 1 5 1248 1 1 11 ARG HD2 H -8.621 -9.273 8.083 1.00 . A A . 11 ARG HD2 1 1 5 1249 1 1 11 ARG HD3 H -8.313 -8.815 6.437 1.00 . A A . 11 ARG HD3 1 1 5 1250 1 1 11 ARG HE H -10.606 -7.962 6.119 1.00 . A A . 11 ARG HE 1 1 5 1251 1 1 11 ARG HG2 H -8.497 -11.165 6.280 1.00 . A A . 11 ARG HG2 1 1 5 1252 1 1 11 ARG HG3 H -9.988 -10.578 5.608 1.00 . A A . 11 ARG HG3 1 1 5 1253 1 1 11 ARG HH11 H -10.094 -9.002 9.398 1.00 . A A . 11 ARG HH11 1 1 5 1254 1 1 11 ARG HH12 H -11.548 -8.068 9.994 1.00 . A A . 11 ARG HH12 1 1 5 1255 1 1 11 ARG HH21 H -12.235 -6.914 6.829 1.00 . A A . 11 ARG HH21 1 1 5 1256 1 1 11 ARG HH22 H -12.685 -6.950 8.590 1.00 . A A . 11 ARG HH22 1 1 5 1257 1 1 11 ARG N N -8.295 -12.930 8.396 1.00 . A A . 11 ARG N 1 1 5 1258 1 1 11 ARG NE N -10.292 -8.334 7.020 1.00 . A A . 11 ARG NE 1 1 5 1259 1 1 11 ARG NH1 N -10.887 -8.373 9.277 1.00 . A A . 11 ARG NH1 1 1 5 1260 1 1 11 ARG NH2 N -12.090 -7.201 7.798 1.00 . A A . 11 ARG NH2 1 1 5 1261 1 1 11 ARG O O -11.676 -12.861 9.693 1.00 . A A . 11 ARG O 1 1 5 1262 1 1 12 NH2 HN1 H -10.685 -13.694 11.570 1.00 . A A . 12 NH2 HN1 1 1 5 1263 1 1 12 NH2 HN2 H -8.962 -13.329 11.053 1.00 . A A . 12 NH2 HN2 1 1 5 1264 1 1 12 NH2 N N -9.978 -13.223 10.998 1.00 . A A . 12 NH2 N 1 1 5 1265 2 2 1 DAO C1 C 3.284 -2.893 2.635 1.00 . B A . 13 DAO C1 1 1 5 1266 2 2 1 DAO C10 C 4.822 -11.012 8.928 1.00 . B A . 13 DAO C10 1 1 5 1267 2 2 1 DAO C11 C 4.301 -12.279 8.211 1.00 . B A . 13 DAO C11 1 1 5 1268 2 2 1 DAO C12 C 3.683 -13.327 9.151 1.00 . B A . 13 DAO C12 1 1 5 1269 2 2 1 DAO C2 C 2.239 -3.829 3.216 1.00 . B A . 13 DAO C2 1 1 5 1270 2 2 1 DAO C3 C 2.446 -4.218 4.702 1.00 . B A . 13 DAO C3 1 1 5 1271 2 2 1 DAO C4 C 3.197 -5.555 4.863 1.00 . B A . 13 DAO C4 1 1 5 1272 2 2 1 DAO C5 C 3.431 -5.968 6.335 1.00 . B A . 13 DAO C5 1 1 5 1273 2 2 1 DAO C6 C 3.229 -7.478 6.571 1.00 . B A . 13 DAO C6 1 1 5 1274 2 2 1 DAO C7 C 3.672 -7.951 7.971 1.00 . B A . 13 DAO C7 1 1 5 1275 2 2 1 DAO C8 C 2.970 -9.254 8.417 1.00 . B A . 13 DAO C8 1 1 5 1276 2 2 1 DAO C9 C 3.740 -10.058 9.489 1.00 . B A . 13 DAO C9 1 1 5 1277 2 2 1 DAO H101 H 5.475 -10.450 8.234 1.00 . B A . 13 DAO H101 1 1 5 1278 2 2 1 DAO H102 H 5.497 -11.320 9.750 1.00 . B A . 13 DAO H102 1 1 5 1279 2 2 1 DAO H111 H 3.574 -12.010 7.422 1.00 . B A . 13 DAO H111 1 1 5 1280 2 2 1 DAO H112 H 5.141 -12.751 7.666 1.00 . B A . 13 DAO H112 1 1 5 1281 2 2 1 DAO H121 H 4.407 -13.673 9.911 1.00 . B A . 13 DAO H121 1 1 5 1282 2 2 1 DAO H122 H 2.800 -12.936 9.689 1.00 . B A . 13 DAO H122 1 1 5 1283 2 2 1 DAO H123 H 3.348 -14.220 8.592 1.00 . B A . 13 DAO H123 1 1 5 1284 2 2 1 DAO H21 H 1.282 -3.312 3.064 1.00 . B A . 13 DAO H21 1 1 5 1285 2 2 1 DAO H22 H 2.158 -4.728 2.577 1.00 . B A . 13 DAO H22 1 1 5 1286 2 2 1 DAO H31 H 2.967 -3.410 5.254 1.00 . B A . 13 DAO H31 1 1 5 1287 2 2 1 DAO H32 H 1.459 -4.292 5.193 1.00 . B A . 13 DAO H32 1 1 5 1288 2 2 1 DAO H41 H 2.633 -6.337 4.319 1.00 . B A . 13 DAO H41 1 1 5 1289 2 2 1 DAO H42 H 4.173 -5.507 4.341 1.00 . B A . 13 DAO H42 1 1 5 1290 2 2 1 DAO H51 H 2.761 -5.408 7.014 1.00 . B A . 13 DAO H51 1 1 5 1291 2 2 1 DAO H52 H 4.454 -5.664 6.634 1.00 . B A . 13 DAO H52 1 1 5 1292 2 2 1 DAO H61 H 2.167 -7.727 6.390 1.00 . B A . 13 DAO H61 1 1 5 1293 2 2 1 DAO H62 H 3.789 -8.060 5.812 1.00 . B A . 13 DAO H62 1 1 5 1294 2 2 1 DAO H71 H 4.772 -8.085 7.961 1.00 . B A . 13 DAO H71 1 1 5 1295 2 2 1 DAO H72 H 3.492 -7.170 8.735 1.00 . B A . 13 DAO H72 1 1 5 1296 2 2 1 DAO H81 H 1.972 -8.996 8.817 1.00 . B A . 13 DAO H81 1 1 5 1297 2 2 1 DAO H82 H 2.758 -9.904 7.547 1.00 . B A . 13 DAO H82 1 1 5 1298 2 2 1 DAO H91 H 3.024 -10.642 10.097 1.00 . B A . 13 DAO H91 1 1 5 1299 2 2 1 DAO H92 H 4.204 -9.362 10.215 1.00 . B A . 13 DAO H92 1 1 5 1300 2 2 1 DAO O1 O 3.731 -1.937 3.268 1.00 . B A . 13 DAO O1 1 1 6 1301 1 1 1 PHE C C 1.884 1.355 -1.146 1.00 . A A . 1 PHE C 1 1 6 1302 1 1 1 PHE CA C 1.706 2.338 0.049 1.00 . A A . 1 PHE CA 1 1 6 1303 1 1 1 PHE CB C 3.056 2.997 0.489 1.00 . A A . 1 PHE CB 1 1 6 1304 1 1 1 PHE CD1 C 2.390 4.969 1.966 1.00 . A A . 1 PHE CD1 1 1 6 1305 1 1 1 PHE CD2 C 3.624 3.143 2.956 1.00 . A A . 1 PHE CD2 1 1 6 1306 1 1 1 PHE CE1 C 2.286 5.572 3.216 1.00 . A A . 1 PHE CE1 1 1 6 1307 1 1 1 PHE CE2 C 3.520 3.747 4.204 1.00 . A A . 1 PHE CE2 1 1 6 1308 1 1 1 PHE CG C 3.058 3.750 1.830 1.00 . A A . 1 PHE CG 1 1 6 1309 1 1 1 PHE CZ C 2.850 4.962 4.336 1.00 . A A . 1 PHE CZ 1 1 6 1310 1 1 1 PHE H1 H 1.363 2.008 2.077 1.00 . A A . 1 PHE H1 1 1 6 1311 1 1 1 PHE HA H 1.062 3.164 -0.311 1.00 . A A . 1 PHE HA 1 1 6 1312 1 1 1 PHE HB2 H 3.861 2.237 0.506 1.00 . A A . 1 PHE HB2 1 1 6 1313 1 1 1 PHE HB3 H 3.381 3.692 -0.306 1.00 . A A . 1 PHE HB3 1 1 6 1314 1 1 1 PHE HD1 H 1.916 5.432 1.112 1.00 . A A . 1 PHE HD1 1 1 6 1315 1 1 1 PHE HD2 H 4.116 2.184 2.876 1.00 . A A . 1 PHE HD2 1 1 6 1316 1 1 1 PHE HE1 H 1.744 6.499 3.311 1.00 . A A . 1 PHE HE1 1 1 6 1317 1 1 1 PHE HE2 H 3.944 3.250 5.064 1.00 . A A . 1 PHE HE2 1 1 6 1318 1 1 1 PHE HZ H 2.758 5.425 5.308 1.00 . A A . 1 PHE HZ 1 1 6 1319 1 1 1 PHE N N 1.013 1.650 1.183 1.00 . A A . 1 PHE N 1 1 6 1320 1 1 1 PHE O O 1.349 1.588 -2.230 1.00 . A A . 1 PHE O 1 1 6 1321 1 1 2 GLN C C 1.502 -1.767 -2.101 1.00 . A A . 2 GLN C 1 1 6 1322 1 1 2 GLN CA C 2.765 -0.850 -1.931 1.00 . A A . 2 GLN CA 1 1 6 1323 1 1 2 GLN CB C 4.064 -1.623 -1.569 1.00 . A A . 2 GLN CB 1 1 6 1324 1 1 2 GLN CD C 5.873 -3.314 -2.325 1.00 . A A . 2 GLN CD 1 1 6 1325 1 1 2 GLN CG C 4.517 -2.668 -2.620 1.00 . A A . 2 GLN CG 1 1 6 1326 1 1 2 GLN H H 3.024 0.219 0.013 1.00 . A A . 2 GLN H 1 1 6 1327 1 1 2 GLN HA H 2.932 -0.387 -2.924 1.00 . A A . 2 GLN HA 1 1 6 1328 1 1 2 GLN HB2 H 4.894 -0.898 -1.435 1.00 . A A . 2 GLN HB2 1 1 6 1329 1 1 2 GLN HB3 H 3.947 -2.115 -0.583 1.00 . A A . 2 GLN HB3 1 1 6 1330 1 1 2 GLN HE21 H 5.025 -4.696 -1.156 1.00 . A A . 2 GLN HE21 1 1 6 1331 1 1 2 GLN HE22 H 6.855 -4.737 -1.391 1.00 . A A . 2 GLN HE22 1 1 6 1332 1 1 2 GLN HG2 H 3.745 -3.452 -2.745 1.00 . A A . 2 GLN HG2 1 1 6 1333 1 1 2 GLN HG3 H 4.590 -2.183 -3.611 1.00 . A A . 2 GLN HG3 1 1 6 1334 1 1 2 GLN N N 2.631 0.252 -0.935 1.00 . A A . 2 GLN N 1 1 6 1335 1 1 2 GLN NE2 N 5.913 -4.368 -1.545 1.00 . A A . 2 GLN NE2 1 1 6 1336 1 1 2 GLN O O 1.208 -2.167 -3.230 1.00 . A A . 2 GLN O 1 1 6 1337 1 1 2 GLN OE1 O 6.917 -2.879 -2.796 1.00 . A A . 2 GLN OE1 1 1 6 1338 1 1 3 TRP C C -1.750 -1.821 -1.307 1.00 . A A . 3 TRP C 1 1 6 1339 1 1 3 TRP CA C -0.543 -2.804 -1.128 1.00 . A A . 3 TRP CA 1 1 6 1340 1 1 3 TRP CB C -0.713 -3.795 0.062 1.00 . A A . 3 TRP CB 1 1 6 1341 1 1 3 TRP CD1 C -2.525 -3.235 1.845 1.00 . A A . 3 TRP CD1 1 1 6 1342 1 1 3 TRP CD2 C -0.475 -2.632 2.445 1.00 . A A . 3 TRP CD2 1 1 6 1343 1 1 3 TRP CE2 C -1.398 -2.290 3.466 1.00 . A A . 3 TRP CE2 1 1 6 1344 1 1 3 TRP CE3 C 0.905 -2.360 2.610 1.00 . A A . 3 TRP CE3 1 1 6 1345 1 1 3 TRP CG C -1.183 -3.230 1.417 1.00 . A A . 3 TRP CG 1 1 6 1346 1 1 3 TRP CH2 C 0.420 -1.467 4.826 1.00 . A A . 3 TRP CH2 1 1 6 1347 1 1 3 TRP CZ2 C -0.945 -1.716 4.673 1.00 . A A . 3 TRP CZ2 1 1 6 1348 1 1 3 TRP CZ3 C 1.330 -1.780 3.808 1.00 . A A . 3 TRP CZ3 1 1 6 1349 1 1 3 TRP H H 1.013 -1.561 -0.190 1.00 . A A . 3 TRP H 1 1 6 1350 1 1 3 TRP HA H -0.513 -3.442 -2.035 1.00 . A A . 3 TRP HA 1 1 6 1351 1 1 3 TRP HB2 H -1.440 -4.571 -0.245 1.00 . A A . 3 TRP HB2 1 1 6 1352 1 1 3 TRP HB3 H 0.208 -4.381 0.187 1.00 . A A . 3 TRP HB3 1 1 6 1353 1 1 3 TRP HD1 H -3.320 -3.716 1.301 1.00 . A A . 3 TRP HD1 1 1 6 1354 1 1 3 TRP HE1 H -3.549 -2.488 3.636 1.00 . A A . 3 TRP HE1 1 1 6 1355 1 1 3 TRP HE3 H 1.608 -2.595 1.829 1.00 . A A . 3 TRP HE3 1 1 6 1356 1 1 3 TRP HH2 H 0.780 -1.029 5.746 1.00 . A A . 3 TRP HH2 1 1 6 1357 1 1 3 TRP HZ2 H -1.644 -1.490 5.463 1.00 . A A . 3 TRP HZ2 1 1 6 1358 1 1 3 TRP HZ3 H 2.380 -1.582 3.963 1.00 . A A . 3 TRP HZ3 1 1 6 1359 1 1 3 TRP N N 0.771 -2.109 -1.020 1.00 . A A . 3 TRP N 1 1 6 1360 1 1 3 TRP NE1 N -2.688 -2.614 3.092 1.00 . A A . 3 TRP NE1 1 1 6 1361 1 1 3 TRP O O -1.680 -0.630 -0.990 1.00 . A A . 3 TRP O 1 1 6 1362 1 1 4 GLN C C -5.384 -2.281 -1.177 1.00 . A A . 4 GLN C 1 1 6 1363 1 1 4 GLN CA C -4.164 -1.614 -1.893 1.00 . A A . 4 GLN CA 1 1 6 1364 1 1 4 GLN CB C -4.358 -1.141 -3.358 1.00 . A A . 4 GLN CB 1 1 6 1365 1 1 4 GLN CD C -6.016 -2.118 -5.115 1.00 . A A . 4 GLN CD 1 1 6 1366 1 1 4 GLN CG C -4.643 -2.218 -4.444 1.00 . A A . 4 GLN CG 1 1 6 1367 1 1 4 GLN H H -2.764 -3.363 -2.005 1.00 . A A . 4 GLN H 1 1 6 1368 1 1 4 GLN HA H -4.075 -0.664 -1.337 1.00 . A A . 4 GLN HA 1 1 6 1369 1 1 4 GLN HB2 H -5.142 -0.357 -3.371 1.00 . A A . 4 GLN HB2 1 1 6 1370 1 1 4 GLN HB3 H -3.452 -0.576 -3.658 1.00 . A A . 4 GLN HB3 1 1 6 1371 1 1 4 GLN HE21 H -6.874 -2.413 -3.370 1.00 . A A . 4 GLN HE21 1 1 6 1372 1 1 4 GLN HE22 H -7.942 -2.038 -4.826 1.00 . A A . 4 GLN HE22 1 1 6 1373 1 1 4 GLN HG2 H -3.872 -2.136 -5.230 1.00 . A A . 4 GLN HG2 1 1 6 1374 1 1 4 GLN HG3 H -4.501 -3.243 -4.059 1.00 . A A . 4 GLN HG3 1 1 6 1375 1 1 4 GLN N N -2.883 -2.374 -1.764 1.00 . A A . 4 GLN N 1 1 6 1376 1 1 4 GLN NE2 N -7.074 -2.331 -4.373 1.00 . A A . 4 GLN NE2 1 1 6 1377 1 1 4 GLN O O -5.990 -1.652 -0.307 1.00 . A A . 4 GLN O 1 1 6 1378 1 1 4 GLN OE1 O -6.154 -1.828 -6.296 1.00 . A A . 4 GLN OE1 1 1 6 1379 1 1 5 ARG C C -6.356 -5.768 -0.395 1.00 . A A . 5 ARG C 1 1 6 1380 1 1 5 ARG CA C -6.797 -4.302 -0.752 1.00 . A A . 5 ARG CA 1 1 6 1381 1 1 5 ARG CB C -8.137 -4.172 -1.526 1.00 . A A . 5 ARG CB 1 1 6 1382 1 1 5 ARG CD C -10.726 -4.221 -1.299 1.00 . A A . 5 ARG CD 1 1 6 1383 1 1 5 ARG CG C -9.371 -4.707 -0.754 1.00 . A A . 5 ARG CG 1 1 6 1384 1 1 5 ARG CZ C -11.974 -2.043 -1.272 1.00 . A A . 5 ARG CZ 1 1 6 1385 1 1 5 ARG H H -5.174 -3.957 -2.239 1.00 . A A . 5 ARG H 1 1 6 1386 1 1 5 ARG HA H -6.975 -3.817 0.231 1.00 . A A . 5 ARG HA 1 1 6 1387 1 1 5 ARG HB2 H -8.304 -3.103 -1.760 1.00 . A A . 5 ARG HB2 1 1 6 1388 1 1 5 ARG HB3 H -8.062 -4.677 -2.509 1.00 . A A . 5 ARG HB3 1 1 6 1389 1 1 5 ARG HD2 H -10.760 -4.358 -2.400 1.00 . A A . 5 ARG HD2 1 1 6 1390 1 1 5 ARG HD3 H -11.534 -4.857 -0.882 1.00 . A A . 5 ARG HD3 1 1 6 1391 1 1 5 ARG HE H -10.242 -2.331 -0.319 1.00 . A A . 5 ARG HE 1 1 6 1392 1 1 5 ARG HG2 H -9.344 -5.813 -0.791 1.00 . A A . 5 ARG HG2 1 1 6 1393 1 1 5 ARG HG3 H -9.279 -4.477 0.328 1.00 . A A . 5 ARG HG3 1 1 6 1394 1 1 5 ARG HH11 H -12.840 -3.432 -2.357 1.00 . A A . 5 ARG HH11 1 1 6 1395 1 1 5 ARG HH12 H -13.700 -1.819 -2.281 1.00 . A A . 5 ARG HH12 1 1 6 1396 1 1 5 ARG HH21 H -11.266 -0.513 -0.224 1.00 . A A . 5 ARG HH21 1 1 6 1397 1 1 5 ARG HH22 H -12.831 -0.255 -1.118 1.00 . A A . 5 ARG HH22 1 1 6 1398 1 1 5 ARG N N -5.757 -3.533 -1.511 1.00 . A A . 5 ARG N 1 1 6 1399 1 1 5 ARG NE N -10.938 -2.798 -0.910 1.00 . A A . 5 ARG NE 1 1 6 1400 1 1 5 ARG NH1 N -12.944 -2.465 -2.046 1.00 . A A . 5 ARG NH1 1 1 6 1401 1 1 5 ARG NH2 N -12.027 -0.819 -0.833 1.00 . A A . 5 ARG NH2 1 1 6 1402 1 1 5 ARG O O -7.080 -6.743 -0.609 1.00 . A A . 5 ARG O 1 1 6 1403 1 1 6 ASN C C -3.424 -6.804 1.699 1.00 . A A . 6 ASN C 1 1 6 1404 1 1 6 ASN CA C -4.667 -7.163 0.824 1.00 . A A . 6 ASN CA 1 1 6 1405 1 1 6 ASN CB C -4.338 -8.241 -0.253 1.00 . A A . 6 ASN CB 1 1 6 1406 1 1 6 ASN CG C -4.092 -9.646 0.309 1.00 . A A . 6 ASN CG 1 1 6 1407 1 1 6 ASN H H -4.707 -4.996 0.323 1.00 . A A . 6 ASN H 1 1 6 1408 1 1 6 ASN HA H -5.464 -7.574 1.479 1.00 . A A . 6 ASN HA 1 1 6 1409 1 1 6 ASN HB2 H -5.183 -8.329 -0.957 1.00 . A A . 6 ASN HB2 1 1 6 1410 1 1 6 ASN HB3 H -3.491 -7.916 -0.887 1.00 . A A . 6 ASN HB3 1 1 6 1411 1 1 6 ASN HD21 H -2.134 -9.297 0.453 1.00 . A A . 6 ASN HD21 1 1 6 1412 1 1 6 ASN HD22 H -2.773 -10.947 0.966 1.00 . A A . 6 ASN HD22 1 1 6 1413 1 1 6 ASN N N -5.172 -5.899 0.220 1.00 . A A . 6 ASN N 1 1 6 1414 1 1 6 ASN ND2 N -2.857 -10.017 0.549 1.00 . A A . 6 ASN ND2 1 1 6 1415 1 1 6 ASN O O -2.311 -6.675 1.179 1.00 . A A . 6 ASN O 1 1 6 1416 1 1 6 ASN OD1 O -5.010 -10.421 0.552 1.00 . A A . 6 ASN OD1 1 1 6 1417 1 1 7 ILE C C -2.183 -8.032 4.462 1.00 . A A . 7 ILE C 1 1 6 1418 1 1 7 ILE CA C -2.493 -6.554 4.000 1.00 . A A . 7 ILE CA 1 1 6 1419 1 1 7 ILE CB C -2.829 -5.447 5.096 1.00 . A A . 7 ILE CB 1 1 6 1420 1 1 7 ILE CD1 C -1.827 -4.583 7.351 1.00 . A A . 7 ILE CD1 1 1 6 1421 1 1 7 ILE CG1 C -2.318 -5.780 6.513 1.00 . A A . 7 ILE CG1 1 1 6 1422 1 1 7 ILE CG2 C -4.292 -4.919 5.238 1.00 . A A . 7 ILE CG2 1 1 6 1423 1 1 7 ILE H H -4.497 -6.827 3.478 1.00 . A A . 7 ILE H 1 1 6 1424 1 1 7 ILE HA H -1.586 -6.179 3.479 1.00 . A A . 7 ILE HA 1 1 6 1425 1 1 7 ILE HB H -2.234 -4.577 4.774 1.00 . A A . 7 ILE HB 1 1 6 1426 1 1 7 ILE HD11 H -0.994 -4.052 6.852 1.00 . A A . 7 ILE HD11 1 1 6 1427 1 1 7 ILE HD12 H -2.625 -3.840 7.531 1.00 . A A . 7 ILE HD12 1 1 6 1428 1 1 7 ILE HD13 H -1.453 -4.908 8.339 1.00 . A A . 7 ILE HD13 1 1 6 1429 1 1 7 ILE HG12 H -3.100 -6.357 7.040 1.00 . A A . 7 ILE HG12 1 1 6 1430 1 1 7 ILE HG13 H -1.489 -6.489 6.398 1.00 . A A . 7 ILE HG13 1 1 6 1431 1 1 7 ILE HG21 H -4.667 -4.496 4.287 1.00 . A A . 7 ILE HG21 1 1 6 1432 1 1 7 ILE HG22 H -4.997 -5.712 5.547 1.00 . A A . 7 ILE HG22 1 1 6 1433 1 1 7 ILE HG23 H -4.374 -4.103 5.980 1.00 . A A . 7 ILE HG23 1 1 6 1434 1 1 7 ILE N N -3.598 -6.659 3.024 1.00 . A A . 7 ILE N 1 1 6 1435 1 1 7 ILE O O -1.139 -8.597 4.131 1.00 . A A . 7 ILE O 1 1 6 1436 1 1 8 ARG C C -4.046 -10.976 4.889 1.00 . A A . 8 ARG C 1 1 6 1437 1 1 8 ARG CA C -3.065 -10.045 5.678 1.00 . A A . 8 ARG CA 1 1 6 1438 1 1 8 ARG CB C -3.286 -10.010 7.214 1.00 . A A . 8 ARG CB 1 1 6 1439 1 1 8 ARG CD C -5.208 -10.246 8.946 1.00 . A A . 8 ARG CD 1 1 6 1440 1 1 8 ARG CG C -4.668 -9.492 7.719 1.00 . A A . 8 ARG CG 1 1 6 1441 1 1 8 ARG CZ C -5.990 -12.604 9.297 1.00 . A A . 8 ARG CZ 1 1 6 1442 1 1 8 ARG H H -3.937 -8.048 5.386 1.00 . A A . 8 ARG H 1 1 6 1443 1 1 8 ARG HA H -2.065 -10.480 5.547 1.00 . A A . 8 ARG HA 1 1 6 1444 1 1 8 ARG HB2 H -3.089 -11.030 7.596 1.00 . A A . 8 ARG HB2 1 1 6 1445 1 1 8 ARG HB3 H -2.483 -9.412 7.689 1.00 . A A . 8 ARG HB3 1 1 6 1446 1 1 8 ARG HD2 H -4.452 -10.242 9.758 1.00 . A A . 8 ARG HD2 1 1 6 1447 1 1 8 ARG HD3 H -6.106 -9.727 9.339 1.00 . A A . 8 ARG HD3 1 1 6 1448 1 1 8 ARG HE H -5.385 -11.875 7.517 1.00 . A A . 8 ARG HE 1 1 6 1449 1 1 8 ARG HG2 H -4.575 -8.412 7.949 1.00 . A A . 8 ARG HG2 1 1 6 1450 1 1 8 ARG HG3 H -5.421 -9.517 6.903 1.00 . A A . 8 ARG HG3 1 1 6 1451 1 1 8 ARG HH11 H -5.742 -11.616 10.975 1.00 . A A . 8 ARG HH11 1 1 6 1452 1 1 8 ARG HH12 H -6.385 -13.322 11.131 1.00 . A A . 8 ARG HH12 1 1 6 1453 1 1 8 ARG HH21 H -6.372 -13.676 7.704 1.00 . A A . 8 ARG HH21 1 1 6 1454 1 1 8 ARG HH22 H -6.688 -14.474 9.334 1.00 . A A . 8 ARG HH22 1 1 6 1455 1 1 8 ARG N N -3.116 -8.634 5.219 1.00 . A A . 8 ARG N 1 1 6 1456 1 1 8 ARG NE N -5.552 -11.624 8.508 1.00 . A A . 8 ARG NE 1 1 6 1457 1 1 8 ARG NH1 N -6.080 -12.504 10.600 1.00 . A A . 8 ARG NH1 1 1 6 1458 1 1 8 ARG NH2 N -6.344 -13.720 8.738 1.00 . A A . 8 ARG NH2 1 1 6 1459 1 1 8 ARG O O -5.011 -10.513 4.271 1.00 . A A . 8 ARG O 1 1 6 1460 1 1 9 LYS C C -6.242 -13.169 4.857 1.00 . A A . 9 LYS C 1 1 6 1461 1 1 9 LYS CA C -4.760 -13.323 4.372 1.00 . A A . 9 LYS CA 1 1 6 1462 1 1 9 LYS CB C -4.155 -14.729 4.678 1.00 . A A . 9 LYS CB 1 1 6 1463 1 1 9 LYS CD C -5.937 -16.556 5.208 1.00 . A A . 9 LYS CD 1 1 6 1464 1 1 9 LYS CE C -7.003 -17.522 4.651 1.00 . A A . 9 LYS CE 1 1 6 1465 1 1 9 LYS CG C -4.942 -15.971 4.169 1.00 . A A . 9 LYS CG 1 1 6 1466 1 1 9 LYS H H -2.961 -12.579 5.429 1.00 . A A . 9 LYS H 1 1 6 1467 1 1 9 LYS HA H -4.732 -13.182 3.271 1.00 . A A . 9 LYS HA 1 1 6 1468 1 1 9 LYS HB2 H -3.148 -14.766 4.215 1.00 . A A . 9 LYS HB2 1 1 6 1469 1 1 9 LYS HB3 H -3.955 -14.838 5.762 1.00 . A A . 9 LYS HB3 1 1 6 1470 1 1 9 LYS HD2 H -5.380 -17.021 6.046 1.00 . A A . 9 LYS HD2 1 1 6 1471 1 1 9 LYS HD3 H -6.488 -15.726 5.689 1.00 . A A . 9 LYS HD3 1 1 6 1472 1 1 9 LYS HE2 H -7.801 -17.660 5.415 1.00 . A A . 9 LYS HE2 1 1 6 1473 1 1 9 LYS HE3 H -7.537 -17.043 3.798 1.00 . A A . 9 LYS HE3 1 1 6 1474 1 1 9 LYS HG2 H -5.459 -15.719 3.222 1.00 . A A . 9 LYS HG2 1 1 6 1475 1 1 9 LYS HG3 H -4.217 -16.760 3.889 1.00 . A A . 9 LYS HG3 1 1 6 1476 1 1 9 LYS HZ1 H -7.112 -19.506 3.905 1.00 . A A . 9 LYS HZ1 1 1 6 1477 1 1 9 LYS HZ2 H -5.703 -18.746 3.532 1.00 . A A . 9 LYS HZ2 1 1 6 1478 1 1 9 LYS HZ3 H -5.949 -19.306 5.051 1.00 . A A . 9 LYS HZ3 1 1 6 1479 1 1 9 LYS N N -3.837 -12.309 4.969 1.00 . A A . 9 LYS N 1 1 6 1480 1 1 9 LYS NZ N -6.418 -18.836 4.265 1.00 . A A . 9 LYS NZ 1 1 6 1481 1 1 9 LYS O O -6.488 -13.043 6.061 1.00 . A A . 9 LYS O 1 1 6 1482 1 1 10 VAL C C -9.314 -13.758 5.334 1.00 . A A . 10 VAL C 1 1 6 1483 1 1 10 VAL CA C -8.644 -12.873 4.220 1.00 . A A . 10 VAL CA 1 1 6 1484 1 1 10 VAL CB C -9.506 -12.824 2.907 1.00 . A A . 10 VAL CB 1 1 6 1485 1 1 10 VAL CG1 C -9.106 -11.678 1.948 1.00 . A A . 10 VAL CG1 1 1 6 1486 1 1 10 VAL CG2 C -9.578 -14.147 2.106 1.00 . A A . 10 VAL CG2 1 1 6 1487 1 1 10 VAL H H -6.872 -13.186 2.957 1.00 . A A . 10 VAL H 1 1 6 1488 1 1 10 VAL HA H -8.634 -11.833 4.604 1.00 . A A . 10 VAL HA 1 1 6 1489 1 1 10 VAL HB H -10.546 -12.596 3.216 1.00 . A A . 10 VAL HB 1 1 6 1490 1 1 10 VAL HG11 H -9.802 -11.600 1.091 1.00 . A A . 10 VAL HG11 1 1 6 1491 1 1 10 VAL HG12 H -9.116 -10.694 2.451 1.00 . A A . 10 VAL HG12 1 1 6 1492 1 1 10 VAL HG13 H -8.092 -11.812 1.525 1.00 . A A . 10 VAL HG13 1 1 6 1493 1 1 10 VAL HG21 H -9.937 -14.986 2.730 1.00 . A A . 10 VAL HG21 1 1 6 1494 1 1 10 VAL HG22 H -10.274 -14.071 1.250 1.00 . A A . 10 VAL HG22 1 1 6 1495 1 1 10 VAL HG23 H -8.594 -14.443 1.696 1.00 . A A . 10 VAL HG23 1 1 6 1496 1 1 10 VAL N N -7.209 -13.189 3.925 1.00 . A A . 10 VAL N 1 1 6 1497 1 1 10 VAL O O -9.107 -14.975 5.408 1.00 . A A . 10 VAL O 1 1 6 1498 1 1 11 ARG C C -12.249 -14.215 6.947 1.00 . A A . 11 ARG C 1 1 6 1499 1 1 11 ARG CA C -10.799 -13.782 7.343 1.00 . A A . 11 ARG CA 1 1 6 1500 1 1 11 ARG CB C -10.750 -12.902 8.631 1.00 . A A . 11 ARG CB 1 1 6 1501 1 1 11 ARG CD C -10.441 -10.341 8.215 1.00 . A A . 11 ARG CD 1 1 6 1502 1 1 11 ARG CG C -11.401 -11.490 8.592 1.00 . A A . 11 ARG CG 1 1 6 1503 1 1 11 ARG CZ C -9.214 -8.548 9.474 1.00 . A A . 11 ARG CZ 1 1 6 1504 1 1 11 ARG H H -10.332 -12.151 5.948 1.00 . A A . 11 ARG H 1 1 6 1505 1 1 11 ARG HA H -10.234 -14.694 7.610 1.00 . A A . 11 ARG HA 1 1 6 1506 1 1 11 ARG HB2 H -11.241 -13.478 9.440 1.00 . A A . 11 ARG HB2 1 1 6 1507 1 1 11 ARG HB3 H -9.701 -12.820 8.975 1.00 . A A . 11 ARG HB3 1 1 6 1508 1 1 11 ARG HD2 H -9.650 -10.700 7.525 1.00 . A A . 11 ARG HD2 1 1 6 1509 1 1 11 ARG HD3 H -11.023 -9.588 7.646 1.00 . A A . 11 ARG HD3 1 1 6 1510 1 1 11 ARG HE H -9.970 -10.164 10.349 1.00 . A A . 11 ARG HE 1 1 6 1511 1 1 11 ARG HG2 H -12.248 -11.499 7.878 1.00 . A A . 11 ARG HG2 1 1 6 1512 1 1 11 ARG HG3 H -11.905 -11.279 9.557 1.00 . A A . 11 ARG HG3 1 1 6 1513 1 1 11 ARG HH11 H -9.299 -8.227 7.537 1.00 . A A . 11 ARG HH11 1 1 6 1514 1 1 11 ARG HH12 H -8.516 -6.911 8.537 1.00 . A A . 11 ARG HH12 1 1 6 1515 1 1 11 ARG HH21 H -9.084 -8.643 11.455 1.00 . A A . 11 ARG HH21 1 1 6 1516 1 1 11 ARG HH22 H -8.397 -7.166 10.647 1.00 . A A . 11 ARG HH22 1 1 6 1517 1 1 11 ARG N N -10.094 -13.109 6.218 1.00 . A A . 11 ARG N 1 1 6 1518 1 1 11 ARG NE N -9.835 -9.729 9.432 1.00 . A A . 11 ARG NE 1 1 6 1519 1 1 11 ARG NH1 N -8.961 -7.823 8.412 1.00 . A A . 11 ARG NH1 1 1 6 1520 1 1 11 ARG NH2 N -8.838 -8.088 10.633 1.00 . A A . 11 ARG NH2 1 1 6 1521 1 1 11 ARG O O -13.056 -13.440 6.439 1.00 . A A . 11 ARG O 1 1 6 1522 1 1 12 NH2 HN1 H -13.615 -15.625 6.865 1.00 . A A . 12 NH2 HN1 1 1 6 1523 1 1 12 NH2 HN2 H -11.987 -16.121 7.562 1.00 . A A . 12 NH2 HN2 1 1 6 1524 1 1 12 NH2 N N -12.652 -15.451 7.169 1.00 . A A . 12 NH2 N 1 1 6 1525 2 2 1 DAO C1 C -0.735 1.877 1.175 1.00 . B A . 13 DAO C1 1 1 6 1526 2 2 1 DAO C10 C -3.481 6.541 7.688 1.00 . B A . 13 DAO C10 1 1 6 1527 2 2 1 DAO C11 C -4.554 6.995 8.699 1.00 . B A . 13 DAO C11 1 1 6 1528 2 2 1 DAO C12 C -4.190 6.621 10.142 1.00 . B A . 13 DAO C12 1 1 6 1529 2 2 1 DAO C2 C -1.441 0.932 2.136 1.00 . B A . 13 DAO C2 1 1 6 1530 2 2 1 DAO C3 C -2.839 1.293 2.666 1.00 . B A . 13 DAO C3 1 1 6 1531 2 2 1 DAO C4 C -2.844 2.496 3.627 1.00 . B A . 13 DAO C4 1 1 6 1532 2 2 1 DAO C5 C -4.177 2.635 4.394 1.00 . B A . 13 DAO C5 1 1 6 1533 2 2 1 DAO C6 C -4.269 3.870 5.318 1.00 . B A . 13 DAO C6 1 1 6 1534 2 2 1 DAO C7 C -4.533 5.194 4.569 1.00 . B A . 13 DAO C7 1 1 6 1535 2 2 1 DAO C8 C -4.884 6.405 5.464 1.00 . B A . 13 DAO C8 1 1 6 1536 2 2 1 DAO C9 C -3.712 7.046 6.246 1.00 . B A . 13 DAO C9 1 1 6 1537 2 2 1 DAO H101 H -3.390 5.439 7.701 1.00 . B A . 13 DAO H101 1 1 6 1538 2 2 1 DAO H102 H -2.495 6.912 8.026 1.00 . B A . 13 DAO H102 1 1 6 1539 2 2 1 DAO H111 H -4.700 8.091 8.633 1.00 . B A . 13 DAO H111 1 1 6 1540 2 2 1 DAO H112 H -5.534 6.550 8.440 1.00 . B A . 13 DAO H112 1 1 6 1541 2 2 1 DAO H121 H -4.062 5.529 10.267 1.00 . B A . 13 DAO H121 1 1 6 1542 2 2 1 DAO H122 H -3.249 7.104 10.466 1.00 . B A . 13 DAO H122 1 1 6 1543 2 2 1 DAO H123 H -4.977 6.940 10.850 1.00 . B A . 13 DAO H123 1 1 6 1544 2 2 1 DAO H21 H -1.508 -0.036 1.620 1.00 . B A . 13 DAO H21 1 1 6 1545 2 2 1 DAO H22 H -0.757 0.751 2.986 1.00 . B A . 13 DAO H22 1 1 6 1546 2 2 1 DAO H31 H -3.526 1.466 1.816 1.00 . B A . 13 DAO H31 1 1 6 1547 2 2 1 DAO H32 H -3.231 0.399 3.187 1.00 . B A . 13 DAO H32 1 1 6 1548 2 2 1 DAO H41 H -2.011 2.381 4.345 1.00 . B A . 13 DAO H41 1 1 6 1549 2 2 1 DAO H42 H -2.624 3.421 3.059 1.00 . B A . 13 DAO H42 1 1 6 1550 2 2 1 DAO H51 H -4.321 1.727 5.011 1.00 . B A . 13 DAO H51 1 1 6 1551 2 2 1 DAO H52 H -5.029 2.633 3.686 1.00 . B A . 13 DAO H52 1 1 6 1552 2 2 1 DAO H61 H -5.089 3.703 6.043 1.00 . B A . 13 DAO H61 1 1 6 1553 2 2 1 DAO H62 H -3.353 3.951 5.933 1.00 . B A . 13 DAO H62 1 1 6 1554 2 2 1 DAO H71 H -3.673 5.442 3.919 1.00 . B A . 13 DAO H71 1 1 6 1555 2 2 1 DAO H72 H -5.378 5.038 3.870 1.00 . B A . 13 DAO H72 1 1 6 1556 2 2 1 DAO H81 H -5.299 7.186 4.798 1.00 . B A . 13 DAO H81 1 1 6 1557 2 2 1 DAO H82 H -5.726 6.157 6.137 1.00 . B A . 13 DAO H82 1 1 6 1558 2 2 1 DAO H91 H -3.866 8.142 6.285 1.00 . B A . 13 DAO H91 1 1 6 1559 2 2 1 DAO H92 H -2.776 6.931 5.666 1.00 . B A . 13 DAO H92 1 1 6 1560 2 2 1 DAO O1 O -1.321 2.711 0.485 1.00 . B A . 13 DAO O1 1 1 7 1561 1 1 1 PHE C C 2.751 -0.237 -1.551 1.00 . A A . 1 PHE C 1 1 7 1562 1 1 1 PHE CA C 2.843 0.885 -0.477 1.00 . A A . 1 PHE CA 1 1 7 1563 1 1 1 PHE CB C 4.317 1.207 -0.066 1.00 . A A . 1 PHE CB 1 1 7 1564 1 1 1 PHE CD1 C 4.148 3.452 1.139 1.00 . A A . 1 PHE CD1 1 1 7 1565 1 1 1 PHE CD2 C 4.928 1.528 2.374 1.00 . A A . 1 PHE CD2 1 1 7 1566 1 1 1 PHE CE1 C 4.188 4.211 2.304 1.00 . A A . 1 PHE CE1 1 1 7 1567 1 1 1 PHE CE2 C 4.970 2.288 3.537 1.00 . A A . 1 PHE CE2 1 1 7 1568 1 1 1 PHE CG C 4.512 2.103 1.169 1.00 . A A . 1 PHE CG 1 1 7 1569 1 1 1 PHE CZ C 4.599 3.632 3.503 1.00 . A A . 1 PHE CZ 1 1 7 1570 1 1 1 PHE H1 H 2.385 0.941 1.560 1.00 . A A . 1 PHE H1 1 1 7 1571 1 1 1 PHE HA H 2.448 1.808 -0.946 1.00 . A A . 1 PHE HA 1 1 7 1572 1 1 1 PHE HB2 H 4.883 0.266 0.076 1.00 . A A . 1 PHE HB2 1 1 7 1573 1 1 1 PHE HB3 H 4.823 1.681 -0.927 1.00 . A A . 1 PHE HB3 1 1 7 1574 1 1 1 PHE HD1 H 3.794 3.903 0.223 1.00 . A A . 1 PHE HD1 1 1 7 1575 1 1 1 PHE HD2 H 5.187 0.479 2.423 1.00 . A A . 1 PHE HD2 1 1 7 1576 1 1 1 PHE HE1 H 3.874 5.243 2.272 1.00 . A A . 1 PHE HE1 1 1 7 1577 1 1 1 PHE HE2 H 5.270 1.817 4.461 1.00 . A A . 1 PHE HE2 1 1 7 1578 1 1 1 PHE HZ H 4.617 4.220 4.410 1.00 . A A . 1 PHE HZ 1 1 7 1579 1 1 1 PHE N N 1.988 0.541 0.706 1.00 . A A . 1 PHE N 1 1 7 1580 1 1 1 PHE O O 2.317 0.009 -2.677 1.00 . A A . 1 PHE O 1 1 7 1581 1 1 2 GLN C C 1.444 -3.204 -2.099 1.00 . A A . 2 GLN C 1 1 7 1582 1 1 2 GLN CA C 2.924 -2.684 -2.027 1.00 . A A . 2 GLN CA 1 1 7 1583 1 1 2 GLN CB C 3.940 -3.754 -1.542 1.00 . A A . 2 GLN CB 1 1 7 1584 1 1 2 GLN CD C 5.135 -6.020 -2.051 1.00 . A A . 2 GLN CD 1 1 7 1585 1 1 2 GLN CG C 4.064 -4.998 -2.459 1.00 . A A . 2 GLN CG 1 1 7 1586 1 1 2 GLN H H 3.500 -1.499 -0.222 1.00 . A A . 2 GLN H 1 1 7 1587 1 1 2 GLN HA H 3.201 -2.423 -3.068 1.00 . A A . 2 GLN HA 1 1 7 1588 1 1 2 GLN HB2 H 4.947 -3.297 -1.459 1.00 . A A . 2 GLN HB2 1 1 7 1589 1 1 2 GLN HB3 H 3.688 -4.079 -0.513 1.00 . A A . 2 GLN HB3 1 1 7 1590 1 1 2 GLN HE21 H 4.485 -7.271 -3.465 1.00 . A A . 2 GLN HE21 1 1 7 1591 1 1 2 GLN HE22 H 5.934 -7.771 -2.436 1.00 . A A . 2 GLN HE22 1 1 7 1592 1 1 2 GLN HG2 H 3.084 -5.509 -2.509 1.00 . A A . 2 GLN HG2 1 1 7 1593 1 1 2 GLN HG3 H 4.282 -4.666 -3.492 1.00 . A A . 2 GLN HG3 1 1 7 1594 1 1 2 GLN N N 3.142 -1.473 -1.185 1.00 . A A . 2 GLN N 1 1 7 1595 1 1 2 GLN NE2 N 5.176 -7.145 -2.720 1.00 . A A . 2 GLN NE2 1 1 7 1596 1 1 2 GLN O O 1.020 -3.639 -3.173 1.00 . A A . 2 GLN O 1 1 7 1597 1 1 2 GLN OE1 O 5.950 -5.835 -1.153 1.00 . A A . 2 GLN OE1 1 1 7 1598 1 1 3 TRP C C -1.680 -2.241 -1.325 1.00 . A A . 3 TRP C 1 1 7 1599 1 1 3 TRP CA C -0.787 -3.490 -1.023 1.00 . A A . 3 TRP CA 1 1 7 1600 1 1 3 TRP CB C -1.190 -4.248 0.279 1.00 . A A . 3 TRP CB 1 1 7 1601 1 1 3 TRP CD1 C -2.678 -3.025 2.042 1.00 . A A . 3 TRP CD1 1 1 7 1602 1 1 3 TRP CD2 C -0.510 -2.971 2.513 1.00 . A A . 3 TRP CD2 1 1 7 1603 1 1 3 TRP CE2 C -1.240 -2.302 3.530 1.00 . A A . 3 TRP CE2 1 1 7 1604 1 1 3 TRP CE3 C 0.902 -3.041 2.580 1.00 . A A . 3 TRP CE3 1 1 7 1605 1 1 3 TRP CG C -1.413 -3.436 1.573 1.00 . A A . 3 TRP CG 1 1 7 1606 1 1 3 TRP CH2 C 0.827 -1.826 4.690 1.00 . A A . 3 TRP CH2 1 1 7 1607 1 1 3 TRP CZ2 C -0.565 -1.729 4.633 1.00 . A A . 3 TRP CZ2 1 1 7 1608 1 1 3 TRP CZ3 C 1.550 -2.469 3.676 1.00 . A A . 3 TRP CZ3 1 1 7 1609 1 1 3 TRP H H 1.081 -2.626 -0.238 1.00 . A A . 3 TRP H 1 1 7 1610 1 1 3 TRP HA H -0.964 -4.212 -1.847 1.00 . A A . 3 TRP HA 1 1 7 1611 1 1 3 TRP HB2 H -2.125 -4.802 0.070 1.00 . A A . 3 TRP HB2 1 1 7 1612 1 1 3 TRP HB3 H -0.477 -5.064 0.461 1.00 . A A . 3 TRP HB3 1 1 7 1613 1 1 3 TRP HD1 H -3.606 -3.276 1.557 1.00 . A A . 3 TRP HD1 1 1 7 1614 1 1 3 TRP HE1 H -3.344 -1.848 3.773 1.00 . A A . 3 TRP HE1 1 1 7 1615 1 1 3 TRP HE3 H 1.465 -3.505 1.788 1.00 . A A . 3 TRP HE3 1 1 7 1616 1 1 3 TRP HH2 H 1.356 -1.389 5.524 1.00 . A A . 3 TRP HH2 1 1 7 1617 1 1 3 TRP HZ2 H -1.114 -1.215 5.408 1.00 . A A . 3 TRP HZ2 1 1 7 1618 1 1 3 TRP HZ3 H 2.627 -2.519 3.744 1.00 . A A . 3 TRP HZ3 1 1 7 1619 1 1 3 TRP N N 0.671 -3.182 -0.994 1.00 . A A . 3 TRP N 1 1 7 1620 1 1 3 TRP NE1 N -2.590 -2.289 3.235 1.00 . A A . 3 TRP NE1 1 1 7 1621 1 1 3 TRP O O -1.262 -1.088 -1.199 1.00 . A A . 3 TRP O 1 1 7 1622 1 1 4 GLN C C -5.262 -1.716 -0.962 1.00 . A A . 4 GLN C 1 1 7 1623 1 1 4 GLN CA C -3.985 -1.437 -1.819 1.00 . A A . 4 GLN CA 1 1 7 1624 1 1 4 GLN CB C -4.156 -1.052 -3.313 1.00 . A A . 4 GLN CB 1 1 7 1625 1 1 4 GLN CD C -6.105 -1.735 -4.913 1.00 . A A . 4 GLN CD 1 1 7 1626 1 1 4 GLN CG C -4.758 -2.108 -4.285 1.00 . A A . 4 GLN CG 1 1 7 1627 1 1 4 GLN H H -3.123 -3.504 -1.801 1.00 . A A . 4 GLN H 1 1 7 1628 1 1 4 GLN HA H -3.612 -0.501 -1.367 1.00 . A A . 4 GLN HA 1 1 7 1629 1 1 4 GLN HB2 H -4.725 -0.103 -3.366 1.00 . A A . 4 GLN HB2 1 1 7 1630 1 1 4 GLN HB3 H -3.160 -0.755 -3.700 1.00 . A A . 4 GLN HB3 1 1 7 1631 1 1 4 GLN HE21 H -6.884 -1.543 -3.117 1.00 . A A . 4 GLN HE21 1 1 7 1632 1 1 4 GLN HE22 H -7.920 -1.111 -4.578 1.00 . A A . 4 GLN HE22 1 1 7 1633 1 1 4 GLN HG2 H -4.037 -2.276 -5.105 1.00 . A A . 4 GLN HG2 1 1 7 1634 1 1 4 GLN HG3 H -4.840 -3.105 -3.818 1.00 . A A . 4 GLN HG3 1 1 7 1635 1 1 4 GLN N N -2.948 -2.503 -1.673 1.00 . A A . 4 GLN N 1 1 7 1636 1 1 4 GLN NE2 N -7.127 -1.558 -4.113 1.00 . A A . 4 GLN NE2 1 1 7 1637 1 1 4 GLN O O -5.523 -0.981 -0.007 1.00 . A A . 4 GLN O 1 1 7 1638 1 1 4 GLN OE1 O -6.249 -1.583 -6.120 1.00 . A A . 4 GLN OE1 1 1 7 1639 1 1 5 ARG C C -6.975 -4.776 -0.001 1.00 . A A . 5 ARG C 1 1 7 1640 1 1 5 ARG CA C -7.133 -3.257 -0.354 1.00 . A A . 5 ARG CA 1 1 7 1641 1 1 5 ARG CB C -8.487 -2.844 -0.989 1.00 . A A . 5 ARG CB 1 1 7 1642 1 1 5 ARG CD C -10.991 -2.350 -0.491 1.00 . A A . 5 ARG CD 1 1 7 1643 1 1 5 ARG CG C -9.718 -3.117 -0.086 1.00 . A A . 5 ARG CG 1 1 7 1644 1 1 5 ARG CZ C -11.780 0.024 -0.280 1.00 . A A . 5 ARG CZ 1 1 7 1645 1 1 5 ARG H H -5.701 -3.323 -2.052 1.00 . A A . 5 ARG H 1 1 7 1646 1 1 5 ARG HA H -7.091 -2.724 0.619 1.00 . A A . 5 ARG HA 1 1 7 1647 1 1 5 ARG HB2 H -8.445 -1.763 -1.226 1.00 . A A . 5 ARG HB2 1 1 7 1648 1 1 5 ARG HB3 H -8.620 -3.351 -1.965 1.00 . A A . 5 ARG HB3 1 1 7 1649 1 1 5 ARG HD2 H -11.157 -2.441 -1.585 1.00 . A A . 5 ARG HD2 1 1 7 1650 1 1 5 ARG HD3 H -11.869 -2.824 -0.004 1.00 . A A . 5 ARG HD3 1 1 7 1651 1 1 5 ARG HE H -10.040 -0.625 0.452 1.00 . A A . 5 ARG HE 1 1 7 1652 1 1 5 ARG HG2 H -9.929 -4.204 -0.116 1.00 . A A . 5 ARG HG2 1 1 7 1653 1 1 5 ARG HG3 H -9.472 -2.926 0.979 1.00 . A A . 5 ARG HG3 1 1 7 1654 1 1 5 ARG HH11 H -13.009 -1.126 -1.291 1.00 . A A . 5 ARG HH11 1 1 7 1655 1 1 5 ARG HH12 H -13.534 0.613 -1.070 1.00 . A A . 5 ARG HH12 1 1 7 1656 1 1 5 ARG HH21 H -10.682 1.342 0.719 1.00 . A A . 5 ARG HH21 1 1 7 1657 1 1 5 ARG HH22 H -12.259 1.930 0.024 1.00 . A A . 5 ARG HH22 1 1 7 1658 1 1 5 ARG N N -6.039 -2.775 -1.255 1.00 . A A . 5 ARG N 1 1 7 1659 1 1 5 ARG NE N -10.872 -0.928 -0.064 1.00 . A A . 5 ARG NE 1 1 7 1660 1 1 5 ARG NH1 N -12.893 -0.173 -0.943 1.00 . A A . 5 ARG NH1 1 1 7 1661 1 1 5 ARG NH2 N -11.549 1.214 0.194 1.00 . A A . 5 ARG NH2 1 1 7 1662 1 1 5 ARG O O -7.861 -5.605 -0.235 1.00 . A A . 5 ARG O 1 1 7 1663 1 1 6 ASN C C -4.319 -6.421 2.097 1.00 . A A . 6 ASN C 1 1 7 1664 1 1 6 ASN CA C -5.568 -6.485 1.158 1.00 . A A . 6 ASN CA 1 1 7 1665 1 1 6 ASN CB C -5.440 -7.553 0.020 1.00 . A A . 6 ASN CB 1 1 7 1666 1 1 6 ASN CG C -6.019 -8.924 0.374 1.00 . A A . 6 ASN CG 1 1 7 1667 1 1 6 ASN H H -5.188 -4.339 0.703 1.00 . A A . 6 ASN H 1 1 7 1668 1 1 6 ASN HA H -6.441 -6.752 1.790 1.00 . A A . 6 ASN HA 1 1 7 1669 1 1 6 ASN HB2 H -5.926 -7.213 -0.915 1.00 . A A . 6 ASN HB2 1 1 7 1670 1 1 6 ASN HB3 H -4.385 -7.677 -0.282 1.00 . A A . 6 ASN HB3 1 1 7 1671 1 1 6 ASN HD21 H -7.848 -8.274 -0.082 1.00 . A A . 6 ASN HD21 1 1 7 1672 1 1 6 ASN HD22 H -7.653 -10.028 0.458 1.00 . A A . 6 ASN HD22 1 1 7 1673 1 1 6 ASN N N -5.831 -5.127 0.608 1.00 . A A . 6 ASN N 1 1 7 1674 1 1 6 ASN ND2 N -7.319 -9.082 0.264 1.00 . A A . 6 ASN ND2 1 1 7 1675 1 1 6 ASN O O -3.190 -6.689 1.678 1.00 . A A . 6 ASN O 1 1 7 1676 1 1 6 ASN OD1 O -5.323 -9.863 0.741 1.00 . A A . 6 ASN OD1 1 1 7 1677 1 1 7 ILE C C -3.269 -7.511 5.007 1.00 . A A . 7 ILE C 1 1 7 1678 1 1 7 ILE CA C -3.457 -6.059 4.417 1.00 . A A . 7 ILE CA 1 1 7 1679 1 1 7 ILE CB C -3.738 -4.855 5.413 1.00 . A A . 7 ILE CB 1 1 7 1680 1 1 7 ILE CD1 C -1.874 -5.156 7.200 1.00 . A A . 7 ILE CD1 1 1 7 1681 1 1 7 ILE CG1 C -3.380 -5.144 6.880 1.00 . A A . 7 ILE CG1 1 1 7 1682 1 1 7 ILE CG2 C -5.139 -4.150 5.411 1.00 . A A . 7 ILE CG2 1 1 7 1683 1 1 7 ILE H H -5.405 -5.708 3.744 1.00 . A A . 7 ILE H 1 1 7 1684 1 1 7 ILE HA H -2.487 -5.802 3.955 1.00 . A A . 7 ILE HA 1 1 7 1685 1 1 7 ILE HB H -3.048 -4.052 5.101 1.00 . A A . 7 ILE HB 1 1 7 1686 1 1 7 ILE HD11 H -1.329 -5.929 6.626 1.00 . A A . 7 ILE HD11 1 1 7 1687 1 1 7 ILE HD12 H -1.397 -4.185 6.968 1.00 . A A . 7 ILE HD12 1 1 7 1688 1 1 7 ILE HD13 H -1.690 -5.359 8.271 1.00 . A A . 7 ILE HD13 1 1 7 1689 1 1 7 ILE HG12 H -3.875 -4.389 7.495 1.00 . A A . 7 ILE HG12 1 1 7 1690 1 1 7 ILE HG13 H -3.858 -6.093 7.171 1.00 . A A . 7 ILE HG13 1 1 7 1691 1 1 7 ILE HG21 H -5.401 -3.754 4.413 1.00 . A A . 7 ILE HG21 1 1 7 1692 1 1 7 ILE HG22 H -5.951 -4.830 5.730 1.00 . A A . 7 ILE HG22 1 1 7 1693 1 1 7 ILE HG23 H -5.168 -3.271 6.083 1.00 . A A . 7 ILE HG23 1 1 7 1694 1 1 7 ILE N N -4.510 -6.054 3.377 1.00 . A A . 7 ILE N 1 1 7 1695 1 1 7 ILE O O -2.140 -7.990 5.137 1.00 . A A . 7 ILE O 1 1 7 1696 1 1 8 ARG C C -4.122 -10.668 4.934 1.00 . A A . 8 ARG C 1 1 7 1697 1 1 8 ARG CA C -4.344 -9.542 5.999 1.00 . A A . 8 ARG CA 1 1 7 1698 1 1 8 ARG CB C -5.666 -9.765 6.799 1.00 . A A . 8 ARG CB 1 1 7 1699 1 1 8 ARG CD C -6.784 -9.098 9.085 1.00 . A A . 8 ARG CD 1 1 7 1700 1 1 8 ARG CG C -6.100 -8.636 7.784 1.00 . A A . 8 ARG CG 1 1 7 1701 1 1 8 ARG CZ C -5.940 -9.798 11.347 1.00 . A A . 8 ARG CZ 1 1 7 1702 1 1 8 ARG H H -5.242 -7.743 5.087 1.00 . A A . 8 ARG H 1 1 7 1703 1 1 8 ARG HA H -3.503 -9.577 6.721 1.00 . A A . 8 ARG HA 1 1 7 1704 1 1 8 ARG HB2 H -6.500 -9.952 6.092 1.00 . A A . 8 ARG HB2 1 1 7 1705 1 1 8 ARG HB3 H -5.571 -10.722 7.348 1.00 . A A . 8 ARG HB3 1 1 7 1706 1 1 8 ARG HD2 H -7.339 -8.236 9.511 1.00 . A A . 8 ARG HD2 1 1 7 1707 1 1 8 ARG HD3 H -7.543 -9.879 8.871 1.00 . A A . 8 ARG HD3 1 1 7 1708 1 1 8 ARG HE H -4.787 -9.721 9.733 1.00 . A A . 8 ARG HE 1 1 7 1709 1 1 8 ARG HG2 H -5.244 -7.972 8.023 1.00 . A A . 8 ARG HG2 1 1 7 1710 1 1 8 ARG HG3 H -6.788 -7.961 7.235 1.00 . A A . 8 ARG HG3 1 1 7 1711 1 1 8 ARG HH11 H -7.861 -9.391 11.324 1.00 . A A . 8 ARG HH11 1 1 7 1712 1 1 8 ARG HH12 H -7.150 -9.836 12.951 1.00 . A A . 8 ARG HH12 1 1 7 1713 1 1 8 ARG HH21 H -4.013 -10.220 11.588 1.00 . A A . 8 ARG HH21 1 1 7 1714 1 1 8 ARG HH22 H -5.069 -10.289 13.067 1.00 . A A . 8 ARG HH22 1 1 7 1715 1 1 8 ARG N N -4.371 -8.186 5.390 1.00 . A A . 8 ARG N 1 1 7 1716 1 1 8 ARG NE N -5.754 -9.588 10.044 1.00 . A A . 8 ARG NE 1 1 7 1717 1 1 8 ARG NH1 N -7.100 -9.673 11.943 1.00 . A A . 8 ARG NH1 1 1 7 1718 1 1 8 ARG NH2 N -4.913 -10.145 12.067 1.00 . A A . 8 ARG NH2 1 1 7 1719 1 1 8 ARG O O -4.467 -10.516 3.757 1.00 . A A . 8 ARG O 1 1 7 1720 1 1 9 LYS C C -4.591 -13.772 4.073 1.00 . A A . 9 LYS C 1 1 7 1721 1 1 9 LYS CA C -3.295 -12.959 4.416 1.00 . A A . 9 LYS CA 1 1 7 1722 1 1 9 LYS CB C -2.156 -13.844 5.003 1.00 . A A . 9 LYS CB 1 1 7 1723 1 1 9 LYS CD C 0.205 -13.343 3.923 1.00 . A A . 9 LYS CD 1 1 7 1724 1 1 9 LYS CE C -0.163 -12.483 2.698 1.00 . A A . 9 LYS CE 1 1 7 1725 1 1 9 LYS CG C -0.743 -13.211 5.139 1.00 . A A . 9 LYS CG 1 1 7 1726 1 1 9 LYS H H -3.335 -11.870 6.344 1.00 . A A . 9 LYS H 1 1 7 1727 1 1 9 LYS HA H -2.917 -12.553 3.461 1.00 . A A . 9 LYS HA 1 1 7 1728 1 1 9 LYS HB2 H -2.484 -14.202 5.999 1.00 . A A . 9 LYS HB2 1 1 7 1729 1 1 9 LYS HB3 H -2.075 -14.777 4.412 1.00 . A A . 9 LYS HB3 1 1 7 1730 1 1 9 LYS HD2 H 1.221 -13.072 4.277 1.00 . A A . 9 LYS HD2 1 1 7 1731 1 1 9 LYS HD3 H 0.285 -14.412 3.639 1.00 . A A . 9 LYS HD3 1 1 7 1732 1 1 9 LYS HE2 H -1.113 -12.845 2.249 1.00 . A A . 9 LYS HE2 1 1 7 1733 1 1 9 LYS HE3 H -0.369 -11.433 3.011 1.00 . A A . 9 LYS HE3 1 1 7 1734 1 1 9 LYS HG2 H -0.812 -12.154 5.465 1.00 . A A . 9 LYS HG2 1 1 7 1735 1 1 9 LYS HG3 H -0.243 -13.713 5.992 1.00 . A A . 9 LYS HG3 1 1 7 1736 1 1 9 LYS HZ1 H 1.139 -13.496 1.384 1.00 . A A . 9 LYS HZ1 1 1 7 1737 1 1 9 LYS HZ2 H 0.737 -11.997 0.840 1.00 . A A . 9 LYS HZ2 1 1 7 1738 1 1 9 LYS HZ3 H 1.823 -12.171 2.061 1.00 . A A . 9 LYS HZ3 1 1 7 1739 1 1 9 LYS N N -3.566 -11.823 5.348 1.00 . A A . 9 LYS N 1 1 7 1740 1 1 9 LYS NZ N 0.934 -12.537 1.694 1.00 . A A . 9 LYS NZ 1 1 7 1741 1 1 9 LYS O O -4.865 -14.818 4.668 1.00 . A A . 9 LYS O 1 1 7 1742 1 1 10 VAL C C -7.772 -13.952 3.865 1.00 . A A . 10 VAL C 1 1 7 1743 1 1 10 VAL CA C -6.714 -13.809 2.699 1.00 . A A . 10 VAL CA 1 1 7 1744 1 1 10 VAL CB C -6.610 -14.994 1.659 1.00 . A A . 10 VAL CB 1 1 7 1745 1 1 10 VAL CG1 C -5.786 -14.659 0.395 1.00 . A A . 10 VAL CG1 1 1 7 1746 1 1 10 VAL CG2 C -6.125 -16.341 2.237 1.00 . A A . 10 VAL CG2 1 1 7 1747 1 1 10 VAL H H -5.095 -12.296 2.847 1.00 . A A . 10 VAL H 1 1 7 1748 1 1 10 VAL HA H -7.159 -12.985 2.110 1.00 . A A . 10 VAL HA 1 1 7 1749 1 1 10 VAL HB H -7.635 -15.178 1.284 1.00 . A A . 10 VAL HB 1 1 7 1750 1 1 10 VAL HG11 H -5.850 -15.462 -0.364 1.00 . A A . 10 VAL HG11 1 1 7 1751 1 1 10 VAL HG12 H -6.138 -13.731 -0.093 1.00 . A A . 10 VAL HG12 1 1 7 1752 1 1 10 VAL HG13 H -4.714 -14.517 0.626 1.00 . A A . 10 VAL HG13 1 1 7 1753 1 1 10 VAL HG21 H -5.063 -16.305 2.542 1.00 . A A . 10 VAL HG21 1 1 7 1754 1 1 10 VAL HG22 H -6.703 -16.639 3.132 1.00 . A A . 10 VAL HG22 1 1 7 1755 1 1 10 VAL HG23 H -6.222 -17.164 1.505 1.00 . A A . 10 VAL HG23 1 1 7 1756 1 1 10 VAL N N -5.380 -13.251 3.109 1.00 . A A . 10 VAL N 1 1 7 1757 1 1 10 VAL O O -7.556 -13.479 4.988 1.00 . A A . 10 VAL O 1 1 7 1758 1 1 11 ARG C C -10.773 -16.181 4.362 1.00 . A A . 11 ARG C 1 1 7 1759 1 1 11 ARG CA C -9.911 -14.924 4.692 1.00 . A A . 11 ARG CA 1 1 7 1760 1 1 11 ARG CB C -10.749 -13.696 5.171 1.00 . A A . 11 ARG CB 1 1 7 1761 1 1 11 ARG CD C -10.030 -13.399 7.632 1.00 . A A . 11 ARG CD 1 1 7 1762 1 1 11 ARG CG C -11.175 -13.765 6.659 1.00 . A A . 11 ARG CG 1 1 7 1763 1 1 11 ARG CZ C -10.042 -14.930 9.628 1.00 . A A . 11 ARG CZ 1 1 7 1764 1 1 11 ARG H H -9.019 -14.955 2.666 1.00 . A A . 11 ARG H 1 1 7 1765 1 1 11 ARG HA H -9.293 -15.260 5.548 1.00 . A A . 11 ARG HA 1 1 7 1766 1 1 11 ARG HB2 H -10.191 -12.752 5.008 1.00 . A A . 11 ARG HB2 1 1 7 1767 1 1 11 ARG HB3 H -11.645 -13.583 4.530 1.00 . A A . 11 ARG HB3 1 1 7 1768 1 1 11 ARG HD2 H -9.058 -13.826 7.309 1.00 . A A . 11 ARG HD2 1 1 7 1769 1 1 11 ARG HD3 H -9.852 -12.306 7.579 1.00 . A A . 11 ARG HD3 1 1 7 1770 1 1 11 ARG HE H -10.892 -13.135 9.636 1.00 . A A . 11 ARG HE 1 1 7 1771 1 1 11 ARG HG2 H -12.025 -13.075 6.831 1.00 . A A . 11 ARG HG2 1 1 7 1772 1 1 11 ARG HG3 H -11.587 -14.771 6.882 1.00 . A A . 11 ARG HG3 1 1 7 1773 1 1 11 ARG HH11 H -9.214 -15.730 8.036 1.00 . A A . 11 ARG HH11 1 1 7 1774 1 1 11 ARG HH12 H -9.214 -16.764 9.543 1.00 . A A . 11 ARG HH12 1 1 7 1775 1 1 11 ARG HH21 H -10.872 -14.332 11.332 1.00 . A A . 11 ARG HH21 1 1 7 1776 1 1 11 ARG HH22 H -10.119 -15.988 11.307 1.00 . A A . 11 ARG HH22 1 1 7 1777 1 1 11 ARG N N -8.950 -14.560 3.609 1.00 . A A . 11 ARG N 1 1 7 1778 1 1 11 ARG NE N -10.367 -13.777 9.035 1.00 . A A . 11 ARG NE 1 1 7 1779 1 1 11 ARG NH1 N -9.412 -15.908 9.022 1.00 . A A . 11 ARG NH1 1 1 7 1780 1 1 11 ARG NH2 N -10.373 -15.097 10.875 1.00 . A A . 11 ARG NH2 1 1 7 1781 1 1 11 ARG O O -10.750 -17.167 5.093 1.00 . A A . 11 ARG O 1 1 7 1782 1 1 12 NH2 HN1 H -12.098 -17.094 3.217 1.00 . A A . 12 NH2 HN1 1 1 7 1783 1 1 12 NH2 HN2 H -11.629 -15.384 2.720 1.00 . A A . 12 NH2 HN2 1 1 7 1784 1 1 12 NH2 N N -11.574 -16.219 3.310 1.00 . A A . 12 NH2 N 1 1 7 1785 2 2 1 DAO C1 C 0.405 1.105 0.584 1.00 . B A . 13 DAO C1 1 1 7 1786 2 2 1 DAO C10 C -3.303 9.169 3.710 1.00 . B A . 13 DAO C10 1 1 7 1787 2 2 1 DAO C11 C -4.341 10.205 4.188 1.00 . B A . 13 DAO C11 1 1 7 1788 2 2 1 DAO C12 C -4.636 11.327 3.180 1.00 . B A . 13 DAO C12 1 1 7 1789 2 2 1 DAO C2 C -0.509 0.557 1.672 1.00 . B A . 13 DAO C2 1 1 7 1790 2 2 1 DAO C3 C -1.533 1.532 2.272 1.00 . B A . 13 DAO C3 1 1 7 1791 2 2 1 DAO C4 C -0.893 2.497 3.289 1.00 . B A . 13 DAO C4 1 1 7 1792 2 2 1 DAO C5 C -1.813 3.649 3.742 1.00 . B A . 13 DAO C5 1 1 7 1793 2 2 1 DAO C6 C -1.887 4.802 2.717 1.00 . B A . 13 DAO C6 1 1 7 1794 2 2 1 DAO C7 C -2.789 5.958 3.184 1.00 . B A . 13 DAO C7 1 1 7 1795 2 2 1 DAO C8 C -2.815 7.128 2.177 1.00 . B A . 13 DAO C8 1 1 7 1796 2 2 1 DAO C9 C -3.787 8.265 2.553 1.00 . B A . 13 DAO C9 1 1 7 1797 2 2 1 DAO H101 H -3.030 8.538 4.576 1.00 . B A . 13 DAO H101 1 1 7 1798 2 2 1 DAO H102 H -2.364 9.681 3.423 1.00 . B A . 13 DAO H102 1 1 7 1799 2 2 1 DAO H111 H -5.283 9.694 4.467 1.00 . B A . 13 DAO H111 1 1 7 1800 2 2 1 DAO H112 H -3.977 10.664 5.128 1.00 . B A . 13 DAO H112 1 1 7 1801 2 2 1 DAO H121 H -5.351 12.061 3.597 1.00 . B A . 13 DAO H121 1 1 7 1802 2 2 1 DAO H122 H -3.721 11.883 2.904 1.00 . B A . 13 DAO H122 1 1 7 1803 2 2 1 DAO H123 H -5.083 10.938 2.247 1.00 . B A . 13 DAO H123 1 1 7 1804 2 2 1 DAO H21 H -1.039 -0.301 1.241 1.00 . B A . 13 DAO H21 1 1 7 1805 2 2 1 DAO H22 H 0.112 0.124 2.476 1.00 . B A . 13 DAO H22 1 1 7 1806 2 2 1 DAO H31 H -2.044 2.074 1.455 1.00 . B A . 13 DAO H31 1 1 7 1807 2 2 1 DAO H32 H -2.323 0.942 2.777 1.00 . B A . 13 DAO H32 1 1 7 1808 2 2 1 DAO H41 H -0.591 1.891 4.163 1.00 . B A . 13 DAO H41 1 1 7 1809 2 2 1 DAO H42 H 0.054 2.914 2.893 1.00 . B A . 13 DAO H42 1 1 7 1810 2 2 1 DAO H51 H -1.431 4.049 4.701 1.00 . B A . 13 DAO H51 1 1 7 1811 2 2 1 DAO H52 H -2.825 3.264 3.971 1.00 . B A . 13 DAO H52 1 1 7 1812 2 2 1 DAO H61 H -0.866 5.184 2.520 1.00 . B A . 13 DAO H61 1 1 7 1813 2 2 1 DAO H62 H -2.250 4.418 1.744 1.00 . B A . 13 DAO H62 1 1 7 1814 2 2 1 DAO H71 H -3.818 5.582 3.347 1.00 . B A . 13 DAO H71 1 1 7 1815 2 2 1 DAO H72 H -2.445 6.322 4.171 1.00 . B A . 13 DAO H72 1 1 7 1816 2 2 1 DAO H81 H -1.795 7.534 2.033 1.00 . B A . 13 DAO H81 1 1 7 1817 2 2 1 DAO H82 H -3.108 6.736 1.183 1.00 . B A . 13 DAO H82 1 1 7 1818 2 2 1 DAO H91 H -4.783 7.842 2.787 1.00 . B A . 13 DAO H91 1 1 7 1819 2 2 1 DAO H92 H -3.950 8.896 1.658 1.00 . B A . 13 DAO H92 1 1 7 1820 2 2 1 DAO O1 O 0.016 1.889 -0.282 1.00 . B A . 13 DAO O1 1 1 8 1821 1 1 1 PHE C C 3.940 -0.913 0.420 1.00 . A A . 1 PHE C 1 1 8 1822 1 1 1 PHE CA C 4.558 -2.102 1.220 1.00 . A A . 1 PHE CA 1 1 8 1823 1 1 1 PHE CB C 5.680 -2.879 0.449 1.00 . A A . 1 PHE CB 1 1 8 1824 1 1 1 PHE CD1 C 6.756 -4.444 2.162 1.00 . A A . 1 PHE CD1 1 1 8 1825 1 1 1 PHE CD2 C 5.674 -5.409 0.230 1.00 . A A . 1 PHE CD2 1 1 8 1826 1 1 1 PHE CE1 C 7.029 -5.722 2.644 1.00 . A A . 1 PHE CE1 1 1 8 1827 1 1 1 PHE CE2 C 5.950 -6.685 0.711 1.00 . A A . 1 PHE CE2 1 1 8 1828 1 1 1 PHE CG C 6.073 -4.280 0.954 1.00 . A A . 1 PHE CG 1 1 8 1829 1 1 1 PHE CZ C 6.627 -6.843 1.918 1.00 . A A . 1 PHE CZ 1 1 8 1830 1 1 1 PHE H1 H 3.842 -3.916 1.929 1.00 . A A . 1 PHE H1 1 1 8 1831 1 1 1 PHE HA H 5.061 -1.658 2.102 1.00 . A A . 1 PHE HA 1 1 8 1832 1 1 1 PHE HB2 H 5.421 -2.954 -0.624 1.00 . A A . 1 PHE HB2 1 1 8 1833 1 1 1 PHE HB3 H 6.588 -2.248 0.437 1.00 . A A . 1 PHE HB3 1 1 8 1834 1 1 1 PHE HD1 H 7.057 -3.583 2.742 1.00 . A A . 1 PHE HD1 1 1 8 1835 1 1 1 PHE HD2 H 5.133 -5.305 -0.700 1.00 . A A . 1 PHE HD2 1 1 8 1836 1 1 1 PHE HE1 H 7.543 -5.838 3.585 1.00 . A A . 1 PHE HE1 1 1 8 1837 1 1 1 PHE HE2 H 5.626 -7.546 0.143 1.00 . A A . 1 PHE HE2 1 1 8 1838 1 1 1 PHE HZ H 6.837 -7.834 2.292 1.00 . A A . 1 PHE HZ 1 1 8 1839 1 1 1 PHE N N 3.462 -2.988 1.716 1.00 . A A . 1 PHE N 1 1 8 1840 1 1 1 PHE O O 3.940 0.224 0.893 1.00 . A A . 1 PHE O 1 1 8 1841 1 1 2 GLN C C 1.519 -0.692 -2.524 1.00 . A A . 2 GLN C 1 1 8 1842 1 1 2 GLN CA C 2.743 -0.171 -1.674 1.00 . A A . 2 GLN CA 1 1 8 1843 1 1 2 GLN CB C 3.771 0.475 -2.635 1.00 . A A . 2 GLN CB 1 1 8 1844 1 1 2 GLN CD C 5.853 2.004 -2.932 1.00 . A A . 2 GLN CD 1 1 8 1845 1 1 2 GLN CG C 4.998 1.156 -1.987 1.00 . A A . 2 GLN CG 1 1 8 1846 1 1 2 GLN H H 3.452 -2.198 -0.982 1.00 . A A . 2 GLN H 1 1 8 1847 1 1 2 GLN HA H 2.321 0.636 -1.041 1.00 . A A . 2 GLN HA 1 1 8 1848 1 1 2 GLN HB2 H 4.099 -0.294 -3.358 1.00 . A A . 2 GLN HB2 1 1 8 1849 1 1 2 GLN HB3 H 3.223 1.238 -3.221 1.00 . A A . 2 GLN HB3 1 1 8 1850 1 1 2 GLN HE21 H 6.798 0.387 -3.633 1.00 . A A . 2 GLN HE21 1 1 8 1851 1 1 2 GLN HE22 H 7.260 2.042 -4.300 1.00 . A A . 2 GLN HE22 1 1 8 1852 1 1 2 GLN HG2 H 4.637 1.802 -1.165 1.00 . A A . 2 GLN HG2 1 1 8 1853 1 1 2 GLN HG3 H 5.618 0.386 -1.493 1.00 . A A . 2 GLN HG3 1 1 8 1854 1 1 2 GLN N N 3.418 -1.191 -0.789 1.00 . A A . 2 GLN N 1 1 8 1855 1 1 2 GLN NE2 N 6.754 1.407 -3.677 1.00 . A A . 2 GLN NE2 1 1 8 1856 1 1 2 GLN O O 1.063 -0.048 -3.473 1.00 . A A . 2 GLN O 1 1 8 1857 1 1 2 GLN OE1 O 5.727 3.220 -3.008 1.00 . A A . 2 GLN OE1 1 1 8 1858 1 1 3 TRP C C -1.605 -1.416 -2.521 1.00 . A A . 3 TRP C 1 1 8 1859 1 1 3 TRP CA C -0.350 -2.366 -2.578 1.00 . A A . 3 TRP CA 1 1 8 1860 1 1 3 TRP CB C -0.534 -3.654 -1.714 1.00 . A A . 3 TRP CB 1 1 8 1861 1 1 3 TRP CD1 C -2.071 -4.453 0.198 1.00 . A A . 3 TRP CD1 1 1 8 1862 1 1 3 TRP CD2 C -1.015 -2.553 0.726 1.00 . A A . 3 TRP CD2 1 1 8 1863 1 1 3 TRP CE2 C -1.973 -2.880 1.723 1.00 . A A . 3 TRP CE2 1 1 8 1864 1 1 3 TRP CE3 C -0.198 -1.386 0.889 1.00 . A A . 3 TRP CE3 1 1 8 1865 1 1 3 TRP CG C -1.112 -3.533 -0.276 1.00 . A A . 3 TRP CG 1 1 8 1866 1 1 3 TRP CH2 C -1.340 -0.926 2.991 1.00 . A A . 3 TRP CH2 1 1 8 1867 1 1 3 TRP CZ2 C -2.146 -2.052 2.850 1.00 . A A . 3 TRP CZ2 1 1 8 1868 1 1 3 TRP CZ3 C -0.376 -0.605 2.033 1.00 . A A . 3 TRP CZ3 1 1 8 1869 1 1 3 TRP H H 1.441 -2.168 -1.291 1.00 . A A . 3 TRP H 1 1 8 1870 1 1 3 TRP HA H -0.228 -2.678 -3.633 1.00 . A A . 3 TRP HA 1 1 8 1871 1 1 3 TRP HB2 H -1.217 -4.308 -2.289 1.00 . A A . 3 TRP HB2 1 1 8 1872 1 1 3 TRP HB3 H 0.385 -4.259 -1.703 1.00 . A A . 3 TRP HB3 1 1 8 1873 1 1 3 TRP HD1 H -2.352 -5.362 -0.314 1.00 . A A . 3 TRP HD1 1 1 8 1874 1 1 3 TRP HE1 H -3.213 -4.615 2.048 1.00 . A A . 3 TRP HE1 1 1 8 1875 1 1 3 TRP HE3 H 0.561 -1.076 0.182 1.00 . A A . 3 TRP HE3 1 1 8 1876 1 1 3 TRP HH2 H -1.455 -0.295 3.861 1.00 . A A . 3 TRP HH2 1 1 8 1877 1 1 3 TRP HZ2 H -2.891 -2.286 3.592 1.00 . A A . 3 TRP HZ2 1 1 8 1878 1 1 3 TRP HZ3 H 0.249 0.257 2.202 1.00 . A A . 3 TRP HZ3 1 1 8 1879 1 1 3 TRP N N 0.969 -1.843 -2.140 1.00 . A A . 3 TRP N 1 1 8 1880 1 1 3 TRP NE1 N -2.631 -4.053 1.417 1.00 . A A . 3 TRP NE1 1 1 8 1881 1 1 3 TRP O O -1.553 -0.285 -2.030 1.00 . A A . 3 TRP O 1 1 8 1882 1 1 4 GLN C C -4.589 -1.563 -1.221 1.00 . A A . 4 GLN C 1 1 8 1883 1 1 4 GLN CA C -4.088 -1.317 -2.682 1.00 . A A . 4 GLN CA 1 1 8 1884 1 1 4 GLN CB C -5.052 -1.739 -3.833 1.00 . A A . 4 GLN CB 1 1 8 1885 1 1 4 GLN CD C -5.888 0.292 -5.250 1.00 . A A . 4 GLN CD 1 1 8 1886 1 1 4 GLN CG C -4.909 -0.887 -5.114 1.00 . A A . 4 GLN CG 1 1 8 1887 1 1 4 GLN H H -2.669 -2.860 -3.402 1.00 . A A . 4 GLN H 1 1 8 1888 1 1 4 GLN HA H -3.974 -0.216 -2.733 1.00 . A A . 4 GLN HA 1 1 8 1889 1 1 4 GLN HB2 H -4.914 -2.811 -4.080 1.00 . A A . 4 GLN HB2 1 1 8 1890 1 1 4 GLN HB3 H -6.108 -1.686 -3.503 1.00 . A A . 4 GLN HB3 1 1 8 1891 1 1 4 GLN HE21 H -5.284 1.095 -3.524 1.00 . A A . 4 GLN HE21 1 1 8 1892 1 1 4 GLN HE22 H -6.651 1.910 -4.439 1.00 . A A . 4 GLN HE22 1 1 8 1893 1 1 4 GLN HG2 H -3.873 -0.521 -5.234 1.00 . A A . 4 GLN HG2 1 1 8 1894 1 1 4 GLN HG3 H -5.057 -1.568 -5.968 1.00 . A A . 4 GLN HG3 1 1 8 1895 1 1 4 GLN N N -2.765 -1.945 -2.950 1.00 . A A . 4 GLN N 1 1 8 1896 1 1 4 GLN NE2 N -5.883 1.241 -4.340 1.00 . A A . 4 GLN NE2 1 1 8 1897 1 1 4 GLN O O -4.106 -0.893 -0.304 1.00 . A A . 4 GLN O 1 1 8 1898 1 1 4 GLN OE1 O -6.689 0.359 -6.174 1.00 . A A . 4 GLN OE1 1 1 8 1899 1 1 5 ARG C C -6.661 -4.071 0.698 1.00 . A A . 5 ARG C 1 1 8 1900 1 1 5 ARG CA C -6.188 -2.614 0.369 1.00 . A A . 5 ARG CA 1 1 8 1901 1 1 5 ARG CB C -7.279 -1.519 0.557 1.00 . A A . 5 ARG CB 1 1 8 1902 1 1 5 ARG CD C -8.937 -1.173 2.561 1.00 . A A . 5 ARG CD 1 1 8 1903 1 1 5 ARG CG C -7.486 -1.121 2.042 1.00 . A A . 5 ARG CG 1 1 8 1904 1 1 5 ARG CZ C -10.482 -3.073 3.127 1.00 . A A . 5 ARG CZ 1 1 8 1905 1 1 5 ARG H H -5.937 -2.891 -1.839 1.00 . A A . 5 ARG H 1 1 8 1906 1 1 5 ARG HA H -5.402 -2.413 1.125 1.00 . A A . 5 ARG HA 1 1 8 1907 1 1 5 ARG HB2 H -7.006 -0.596 0.006 1.00 . A A . 5 ARG HB2 1 1 8 1908 1 1 5 ARG HB3 H -8.222 -1.841 0.073 1.00 . A A . 5 ARG HB3 1 1 8 1909 1 1 5 ARG HD2 H -8.970 -0.738 3.581 1.00 . A A . 5 ARG HD2 1 1 8 1910 1 1 5 ARG HD3 H -9.597 -0.547 1.926 1.00 . A A . 5 ARG HD3 1 1 8 1911 1 1 5 ARG HE H -8.812 -3.288 2.041 1.00 . A A . 5 ARG HE 1 1 8 1912 1 1 5 ARG HG2 H -6.840 -1.733 2.704 1.00 . A A . 5 ARG HG2 1 1 8 1913 1 1 5 ARG HG3 H -7.080 -0.099 2.166 1.00 . A A . 5 ARG HG3 1 1 8 1914 1 1 5 ARG HH11 H -11.087 -1.347 3.838 1.00 . A A . 5 ARG HH11 1 1 8 1915 1 1 5 ARG HH12 H -12.161 -2.786 4.195 1.00 . A A . 5 ARG HH12 1 1 8 1916 1 1 5 ARG HH21 H -10.038 -4.878 2.456 1.00 . A A . 5 ARG HH21 1 1 8 1917 1 1 5 ARG HH22 H -11.572 -4.711 3.432 1.00 . A A . 5 ARG HH22 1 1 8 1918 1 1 5 ARG N N -5.574 -2.453 -0.984 1.00 . A A . 5 ARG N 1 1 8 1919 1 1 5 ARG NE N -9.379 -2.592 2.562 1.00 . A A . 5 ARG NE 1 1 8 1920 1 1 5 ARG NH1 N -11.334 -2.338 3.797 1.00 . A A . 5 ARG NH1 1 1 8 1921 1 1 5 ARG NH2 N -10.720 -4.346 3.004 1.00 . A A . 5 ARG NH2 1 1 8 1922 1 1 5 ARG O O -7.823 -4.341 1.024 1.00 . A A . 5 ARG O 1 1 8 1923 1 1 6 ASN C C -4.528 -6.955 1.638 1.00 . A A . 6 ASN C 1 1 8 1924 1 1 6 ASN CA C -5.890 -6.417 1.091 1.00 . A A . 6 ASN CA 1 1 8 1925 1 1 6 ASN CB C -6.459 -7.225 -0.113 1.00 . A A . 6 ASN CB 1 1 8 1926 1 1 6 ASN CG C -6.908 -8.649 0.230 1.00 . A A . 6 ASN CG 1 1 8 1927 1 1 6 ASN H H -4.789 -4.574 0.450 1.00 . A A . 6 ASN H 1 1 8 1928 1 1 6 ASN HA H -6.636 -6.469 1.912 1.00 . A A . 6 ASN HA 1 1 8 1929 1 1 6 ASN HB2 H -7.349 -6.710 -0.519 1.00 . A A . 6 ASN HB2 1 1 8 1930 1 1 6 ASN HB3 H -5.738 -7.234 -0.953 1.00 . A A . 6 ASN HB3 1 1 8 1931 1 1 6 ASN HD21 H -5.132 -9.390 -0.281 1.00 . A A . 6 ASN HD21 1 1 8 1932 1 1 6 ASN HD22 H -6.438 -10.556 0.294 1.00 . A A . 6 ASN HD22 1 1 8 1933 1 1 6 ASN N N -5.697 -4.997 0.681 1.00 . A A . 6 ASN N 1 1 8 1934 1 1 6 ASN ND2 N -6.087 -9.643 -0.008 1.00 . A A . 6 ASN ND2 1 1 8 1935 1 1 6 ASN O O -3.735 -7.532 0.888 1.00 . A A . 6 ASN O 1 1 8 1936 1 1 6 ASN OD1 O -8.003 -8.875 0.732 1.00 . A A . 6 ASN OD1 1 1 8 1937 1 1 7 ILE C C -3.028 -8.554 4.256 1.00 . A A . 7 ILE C 1 1 8 1938 1 1 7 ILE CA C -2.940 -7.155 3.571 1.00 . A A . 7 ILE CA 1 1 8 1939 1 1 7 ILE CB C -2.302 -6.117 4.588 1.00 . A A . 7 ILE CB 1 1 8 1940 1 1 7 ILE CD1 C -2.554 -3.878 5.978 1.00 . A A . 7 ILE CD1 1 1 8 1941 1 1 7 ILE CG1 C -3.167 -4.886 4.986 1.00 . A A . 7 ILE CG1 1 1 8 1942 1 1 7 ILE CG2 C -0.877 -5.759 4.132 1.00 . A A . 7 ILE CG2 1 1 8 1943 1 1 7 ILE H H -4.985 -6.310 3.499 1.00 . A A . 7 ILE H 1 1 8 1944 1 1 7 ILE HA H -2.215 -7.278 2.743 1.00 . A A . 7 ILE HA 1 1 8 1945 1 1 7 ILE HB H -2.133 -6.625 5.552 1.00 . A A . 7 ILE HB 1 1 8 1946 1 1 7 ILE HD11 H -1.675 -3.362 5.547 1.00 . A A . 7 ILE HD11 1 1 8 1947 1 1 7 ILE HD12 H -3.277 -3.080 6.234 1.00 . A A . 7 ILE HD12 1 1 8 1948 1 1 7 ILE HD13 H -2.234 -4.349 6.924 1.00 . A A . 7 ILE HD13 1 1 8 1949 1 1 7 ILE HG12 H -3.467 -4.351 4.070 1.00 . A A . 7 ILE HG12 1 1 8 1950 1 1 7 ILE HG13 H -4.117 -5.255 5.412 1.00 . A A . 7 ILE HG13 1 1 8 1951 1 1 7 ILE HG21 H -0.881 -5.146 3.214 1.00 . A A . 7 ILE HG21 1 1 8 1952 1 1 7 ILE HG22 H -0.336 -5.201 4.909 1.00 . A A . 7 ILE HG22 1 1 8 1953 1 1 7 ILE HG23 H -0.279 -6.665 3.921 1.00 . A A . 7 ILE HG23 1 1 8 1954 1 1 7 ILE N N -4.238 -6.733 2.937 1.00 . A A . 7 ILE N 1 1 8 1955 1 1 7 ILE O O -2.194 -9.436 4.044 1.00 . A A . 7 ILE O 1 1 8 1956 1 1 8 ARG C C -4.578 -11.126 5.352 1.00 . A A . 8 ARG C 1 1 8 1957 1 1 8 ARG CA C -4.146 -9.822 6.097 1.00 . A A . 8 ARG CA 1 1 8 1958 1 1 8 ARG CB C -5.195 -9.419 7.177 1.00 . A A . 8 ARG CB 1 1 8 1959 1 1 8 ARG CD C -3.783 -8.093 8.965 1.00 . A A . 8 ARG CD 1 1 8 1960 1 1 8 ARG CG C -4.981 -8.107 7.988 1.00 . A A . 8 ARG CG 1 1 8 1961 1 1 8 ARG CZ C -1.357 -7.440 8.862 1.00 . A A . 8 ARG CZ 1 1 8 1962 1 1 8 ARG H H -4.578 -7.835 5.220 1.00 . A A . 8 ARG H 1 1 8 1963 1 1 8 ARG HA H -3.176 -9.989 6.606 1.00 . A A . 8 ARG HA 1 1 8 1964 1 1 8 ARG HB2 H -6.187 -9.352 6.685 1.00 . A A . 8 ARG HB2 1 1 8 1965 1 1 8 ARG HB3 H -5.308 -10.259 7.889 1.00 . A A . 8 ARG HB3 1 1 8 1966 1 1 8 ARG HD2 H -4.036 -7.440 9.826 1.00 . A A . 8 ARG HD2 1 1 8 1967 1 1 8 ARG HD3 H -3.626 -9.106 9.391 1.00 . A A . 8 ARG HD3 1 1 8 1968 1 1 8 ARG HE H -2.598 -7.259 7.324 1.00 . A A . 8 ARG HE 1 1 8 1969 1 1 8 ARG HG2 H -4.957 -7.229 7.308 1.00 . A A . 8 ARG HG2 1 1 8 1970 1 1 8 ARG HG3 H -5.905 -7.931 8.571 1.00 . A A . 8 ARG HG3 1 1 8 1971 1 1 8 ARG HH11 H -1.886 -8.201 10.595 1.00 . A A . 8 ARG HH11 1 1 8 1972 1 1 8 ARG HH12 H -0.145 -7.662 10.451 1.00 . A A . 8 ARG HH12 1 1 8 1973 1 1 8 ARG HH21 H -0.613 -6.628 7.203 1.00 . A A . 8 ARG HH21 1 1 8 1974 1 1 8 ARG HH22 H 0.515 -6.820 8.615 1.00 . A A . 8 ARG HH22 1 1 8 1975 1 1 8 ARG N N -3.997 -8.675 5.173 1.00 . A A . 8 ARG N 1 1 8 1976 1 1 8 ARG NE N -2.556 -7.580 8.293 1.00 . A A . 8 ARG NE 1 1 8 1977 1 1 8 ARG NH1 N -1.092 -7.801 10.093 1.00 . A A . 8 ARG NH1 1 1 8 1978 1 1 8 ARG NH2 N -0.394 -6.918 8.157 1.00 . A A . 8 ARG NH2 1 1 8 1979 1 1 8 ARG O O -5.530 -11.115 4.565 1.00 . A A . 8 ARG O 1 1 8 1980 1 1 9 LYS C C -5.621 -14.108 5.224 1.00 . A A . 9 LYS C 1 1 8 1981 1 1 9 LYS CA C -4.176 -13.555 4.950 1.00 . A A . 9 LYS CA 1 1 8 1982 1 1 9 LYS CB C -3.064 -14.571 5.346 1.00 . A A . 9 LYS CB 1 1 8 1983 1 1 9 LYS CD C -0.629 -13.945 5.998 1.00 . A A . 9 LYS CD 1 1 8 1984 1 1 9 LYS CE C 0.794 -13.546 5.551 1.00 . A A . 9 LYS CE 1 1 8 1985 1 1 9 LYS CG C -1.621 -14.258 4.851 1.00 . A A . 9 LYS CG 1 1 8 1986 1 1 9 LYS H H -3.095 -12.134 6.255 1.00 . A A . 9 LYS H 1 1 8 1987 1 1 9 LYS HA H -4.100 -13.391 3.856 1.00 . A A . 9 LYS HA 1 1 8 1988 1 1 9 LYS HB2 H -3.091 -14.740 6.441 1.00 . A A . 9 LYS HB2 1 1 8 1989 1 1 9 LYS HB3 H -3.342 -15.560 4.931 1.00 . A A . 9 LYS HB3 1 1 8 1990 1 1 9 LYS HD2 H -1.044 -13.112 6.598 1.00 . A A . 9 LYS HD2 1 1 8 1991 1 1 9 LYS HD3 H -0.588 -14.796 6.708 1.00 . A A . 9 LYS HD3 1 1 8 1992 1 1 9 LYS HE2 H 0.742 -12.720 4.806 1.00 . A A . 9 LYS HE2 1 1 8 1993 1 1 9 LYS HE3 H 1.334 -13.101 6.417 1.00 . A A . 9 LYS HE3 1 1 8 1994 1 1 9 LYS HG2 H -1.252 -15.121 4.264 1.00 . A A . 9 LYS HG2 1 1 8 1995 1 1 9 LYS HG3 H -1.637 -13.420 4.125 1.00 . A A . 9 LYS HG3 1 1 8 1996 1 1 9 LYS HZ1 H 1.116 -15.119 4.183 1.00 . A A . 9 LYS HZ1 1 1 8 1997 1 1 9 LYS HZ2 H 2.522 -14.480 4.740 1.00 . A A . 9 LYS HZ2 1 1 8 1998 1 1 9 LYS HZ3 H 1.632 -15.479 5.694 1.00 . A A . 9 LYS HZ3 1 1 8 1999 1 1 9 LYS N N -3.885 -12.249 5.617 1.00 . A A . 9 LYS N 1 1 8 2000 1 1 9 LYS NZ N 1.557 -14.709 5.016 1.00 . A A . 9 LYS NZ 1 1 8 2001 1 1 9 LYS O O -6.273 -13.729 6.204 1.00 . A A . 9 LYS O 1 1 8 2002 1 1 10 VAL C C -8.113 -16.060 5.580 1.00 . A A . 10 VAL C 1 1 8 2003 1 1 10 VAL CA C -7.589 -15.342 4.283 1.00 . A A . 10 VAL CA 1 1 8 2004 1 1 10 VAL CB C -7.966 -16.113 2.966 1.00 . A A . 10 VAL CB 1 1 8 2005 1 1 10 VAL CG1 C -7.886 -15.231 1.699 1.00 . A A . 10 VAL CG1 1 1 8 2006 1 1 10 VAL CG2 C -7.193 -17.429 2.703 1.00 . A A . 10 VAL CG2 1 1 8 2007 1 1 10 VAL H H -5.501 -15.268 3.580 1.00 . A A . 10 VAL H 1 1 8 2008 1 1 10 VAL HA H -8.137 -14.379 4.205 1.00 . A A . 10 VAL HA 1 1 8 2009 1 1 10 VAL HB H -9.034 -16.397 3.060 1.00 . A A . 10 VAL HB 1 1 8 2010 1 1 10 VAL HG11 H -8.511 -14.323 1.790 1.00 . A A . 10 VAL HG11 1 1 8 2011 1 1 10 VAL HG12 H -6.855 -14.895 1.484 1.00 . A A . 10 VAL HG12 1 1 8 2012 1 1 10 VAL HG13 H -8.245 -15.766 0.799 1.00 . A A . 10 VAL HG13 1 1 8 2013 1 1 10 VAL HG21 H -7.587 -17.969 1.820 1.00 . A A . 10 VAL HG21 1 1 8 2014 1 1 10 VAL HG22 H -6.116 -17.256 2.523 1.00 . A A . 10 VAL HG22 1 1 8 2015 1 1 10 VAL HG23 H -7.270 -18.128 3.556 1.00 . A A . 10 VAL HG23 1 1 8 2016 1 1 10 VAL N N -6.137 -14.969 4.326 1.00 . A A . 10 VAL N 1 1 8 2017 1 1 10 VAL O O -7.680 -17.161 5.929 1.00 . A A . 10 VAL O 1 1 8 2018 1 1 11 ARG C C -10.982 -16.269 7.591 1.00 . A A . 11 ARG C 1 1 8 2019 1 1 11 ARG CA C -9.488 -15.831 7.654 1.00 . A A . 11 ARG CA 1 1 8 2020 1 1 11 ARG CB C -9.250 -14.664 8.654 1.00 . A A . 11 ARG CB 1 1 8 2021 1 1 11 ARG CD C -7.359 -13.007 9.329 1.00 . A A . 11 ARG CD 1 1 8 2022 1 1 11 ARG CG C -7.769 -14.470 9.086 1.00 . A A . 11 ARG CG 1 1 8 2023 1 1 11 ARG CZ C -8.438 -11.218 10.736 1.00 . A A . 11 ARG CZ 1 1 8 2024 1 1 11 ARG H H -9.269 -14.467 5.937 1.00 . A A . 11 ARG H 1 1 8 2025 1 1 11 ARG HA H -8.885 -16.684 8.025 1.00 . A A . 11 ARG HA 1 1 8 2026 1 1 11 ARG HB2 H -9.669 -13.729 8.229 1.00 . A A . 11 ARG HB2 1 1 8 2027 1 1 11 ARG HB3 H -9.852 -14.825 9.569 1.00 . A A . 11 ARG HB3 1 1 8 2028 1 1 11 ARG HD2 H -6.255 -12.957 9.413 1.00 . A A . 11 ARG HD2 1 1 8 2029 1 1 11 ARG HD3 H -7.600 -12.432 8.412 1.00 . A A . 11 ARG HD3 1 1 8 2030 1 1 11 ARG HE H -8.070 -13.052 11.403 1.00 . A A . 11 ARG HE 1 1 8 2031 1 1 11 ARG HG2 H -7.537 -15.103 9.965 1.00 . A A . 11 ARG HG2 1 1 8 2032 1 1 11 ARG HG3 H -7.102 -14.865 8.295 1.00 . A A . 11 ARG HG3 1 1 8 2033 1 1 11 ARG HH11 H -8.104 -10.646 8.888 1.00 . A A . 11 ARG HH11 1 1 8 2034 1 1 11 ARG HH12 H -8.856 -9.398 9.996 1.00 . A A . 11 ARG HH12 1 1 8 2035 1 1 11 ARG HH21 H -8.902 -11.603 12.629 1.00 . A A . 11 ARG HH21 1 1 8 2036 1 1 11 ARG HH22 H -9.265 -9.932 12.009 1.00 . A A . 11 ARG HH22 1 1 8 2037 1 1 11 ARG N N -9.028 -15.392 6.306 1.00 . A A . 11 ARG N 1 1 8 2038 1 1 11 ARG NE N -7.976 -12.460 10.573 1.00 . A A . 11 ARG NE 1 1 8 2039 1 1 11 ARG NH1 N -8.446 -10.311 9.790 1.00 . A A . 11 ARG NH1 1 1 8 2040 1 1 11 ARG NH2 N -8.913 -10.885 11.901 1.00 . A A . 11 ARG NH2 1 1 8 2041 1 1 11 ARG O O -11.911 -15.465 7.597 1.00 . A A . 11 ARG O 1 1 8 2042 1 1 12 NH2 HN1 H -12.284 -17.732 7.438 1.00 . A A . 12 NH2 HN1 1 1 8 2043 1 1 12 NH2 HN2 H -10.508 -18.211 7.401 1.00 . A A . 12 NH2 HN2 1 1 8 2044 1 1 12 NH2 N N -11.280 -17.552 7.531 1.00 . A A . 12 NH2 N 1 1 8 2045 2 2 1 DAO C1 C 2.739 -2.344 3.205 1.00 . B A . 13 DAO C1 1 1 8 2046 2 2 1 DAO C10 C 0.010 -2.472 11.416 1.00 . B A . 13 DAO C10 1 1 8 2047 2 2 1 DAO C11 C -1.329 -3.221 11.524 1.00 . B A . 13 DAO C11 1 1 8 2048 2 2 1 DAO C12 C -2.321 -2.488 12.438 1.00 . B A . 13 DAO C12 1 1 8 2049 2 2 1 DAO C2 C 1.719 -3.269 3.852 1.00 . B A . 13 DAO C2 1 1 8 2050 2 2 1 DAO C3 C 1.712 -3.270 5.400 1.00 . B A . 13 DAO C3 1 1 8 2051 2 2 1 DAO C4 C 2.682 -4.314 5.991 1.00 . B A . 13 DAO C4 1 1 8 2052 2 2 1 DAO C5 C 2.700 -4.361 7.533 1.00 . B A . 13 DAO C5 1 1 8 2053 2 2 1 DAO C6 C 3.461 -3.183 8.178 1.00 . B A . 13 DAO C6 1 1 8 2054 2 2 1 DAO C7 C 3.519 -3.209 9.723 1.00 . B A . 13 DAO C7 1 1 8 2055 2 2 1 DAO C8 C 2.384 -2.466 10.464 1.00 . B A . 13 DAO C8 1 1 8 2056 2 2 1 DAO C9 C 1.029 -3.199 10.518 1.00 . B A . 13 DAO C9 1 1 8 2057 2 2 1 DAO H101 H 0.438 -2.333 12.429 1.00 . B A . 13 DAO H101 1 1 8 2058 2 2 1 DAO H102 H -0.164 -1.449 11.027 1.00 . B A . 13 DAO H102 1 1 8 2059 2 2 1 DAO H111 H -1.777 -3.348 10.520 1.00 . B A . 13 DAO H111 1 1 8 2060 2 2 1 DAO H112 H -1.161 -4.243 11.914 1.00 . B A . 13 DAO H112 1 1 8 2061 2 2 1 DAO H121 H -2.558 -1.475 12.060 1.00 . B A . 13 DAO H121 1 1 8 2062 2 2 1 DAO H122 H -3.277 -3.035 12.521 1.00 . B A . 13 DAO H122 1 1 8 2063 2 2 1 DAO H123 H -1.925 -2.370 13.465 1.00 . B A . 13 DAO H123 1 1 8 2064 2 2 1 DAO H21 H 0.748 -2.951 3.450 1.00 . B A . 13 DAO H21 1 1 8 2065 2 2 1 DAO H22 H 1.849 -4.293 3.455 1.00 . B A . 13 DAO H22 1 1 8 2066 2 2 1 DAO H31 H 1.940 -2.258 5.788 1.00 . B A . 13 DAO H31 1 1 8 2067 2 2 1 DAO H32 H 0.691 -3.471 5.768 1.00 . B A . 13 DAO H32 1 1 8 2068 2 2 1 DAO H41 H 2.392 -5.309 5.604 1.00 . B A . 13 DAO H41 1 1 8 2069 2 2 1 DAO H42 H 3.707 -4.146 5.607 1.00 . B A . 13 DAO H42 1 1 8 2070 2 2 1 DAO H51 H 3.181 -5.305 7.852 1.00 . B A . 13 DAO H51 1 1 8 2071 2 2 1 DAO H52 H 1.667 -4.418 7.916 1.00 . B A . 13 DAO H52 1 1 8 2072 2 2 1 DAO H61 H 4.499 -3.197 7.793 1.00 . B A . 13 DAO H61 1 1 8 2073 2 2 1 DAO H62 H 3.053 -2.213 7.833 1.00 . B A . 13 DAO H62 1 1 8 2074 2 2 1 DAO H71 H 3.626 -4.243 10.102 1.00 . B A . 13 DAO H71 1 1 8 2075 2 2 1 DAO H72 H 4.466 -2.718 10.019 1.00 . B A . 13 DAO H72 1 1 8 2076 2 2 1 DAO H81 H 2.726 -2.283 11.502 1.00 . B A . 13 DAO H81 1 1 8 2077 2 2 1 DAO H82 H 2.252 -1.455 10.032 1.00 . B A . 13 DAO H82 1 1 8 2078 2 2 1 DAO H91 H 1.181 -4.232 10.885 1.00 . B A . 13 DAO H91 1 1 8 2079 2 2 1 DAO H92 H 0.613 -3.291 9.498 1.00 . B A . 13 DAO H92 1 1 8 2080 2 2 1 DAO O1 O 2.994 -1.229 3.660 1.00 . B A . 13 DAO O1 1 1 9 2081 1 1 1 PHE C C 2.726 0.552 -1.229 1.00 . A A . 1 PHE C 1 1 9 2082 1 1 1 PHE CA C 2.528 1.520 -0.024 1.00 . A A . 1 PHE CA 1 1 9 2083 1 1 1 PHE CB C 3.861 1.806 0.747 1.00 . A A . 1 PHE CB 1 1 9 2084 1 1 1 PHE CD1 C 3.388 3.829 2.237 1.00 . A A . 1 PHE CD1 1 1 9 2085 1 1 1 PHE CD2 C 3.859 1.702 3.283 1.00 . A A . 1 PHE CD2 1 1 9 2086 1 1 1 PHE CE1 C 3.143 4.386 3.489 1.00 . A A . 1 PHE CE1 1 1 9 2087 1 1 1 PHE CE2 C 3.615 2.260 4.533 1.00 . A A . 1 PHE CE2 1 1 9 2088 1 1 1 PHE CG C 3.742 2.481 2.126 1.00 . A A . 1 PHE CG 1 1 9 2089 1 1 1 PHE CZ C 3.256 3.603 4.637 1.00 . A A . 1 PHE CZ 1 1 9 2090 1 1 1 PHE H1 H 1.612 1.363 1.830 1.00 . A A . 1 PHE H1 1 1 9 2091 1 1 1 PHE HA H 2.194 2.490 -0.442 1.00 . A A . 1 PHE HA 1 1 9 2092 1 1 1 PHE HB2 H 4.441 0.870 0.860 1.00 . A A . 1 PHE HB2 1 1 9 2093 1 1 1 PHE HB3 H 4.510 2.427 0.102 1.00 . A A . 1 PHE HB3 1 1 9 2094 1 1 1 PHE HD1 H 3.265 4.436 1.352 1.00 . A A . 1 PHE HD1 1 1 9 2095 1 1 1 PHE HD2 H 4.106 0.652 3.216 1.00 . A A . 1 PHE HD2 1 1 9 2096 1 1 1 PHE HE1 H 2.846 5.420 3.560 1.00 . A A . 1 PHE HE1 1 1 9 2097 1 1 1 PHE HE2 H 3.689 1.638 5.412 1.00 . A A . 1 PHE HE2 1 1 9 2098 1 1 1 PHE HZ H 3.055 4.034 5.608 1.00 . A A . 1 PHE HZ 1 1 9 2099 1 1 1 PHE N N 1.452 1.006 0.882 1.00 . A A . 1 PHE N 1 1 9 2100 1 1 1 PHE O O 2.533 0.937 -2.383 1.00 . A A . 1 PHE O 1 1 9 2101 1 1 2 GLN C C 1.617 -2.385 -2.221 1.00 . A A . 2 GLN C 1 1 9 2102 1 1 2 GLN CA C 3.051 -1.826 -1.931 1.00 . A A . 2 GLN CA 1 1 9 2103 1 1 2 GLN CB C 4.000 -2.966 -1.457 1.00 . A A . 2 GLN CB 1 1 9 2104 1 1 2 GLN CD C 6.245 -2.480 -2.741 1.00 . A A . 2 GLN CD 1 1 9 2105 1 1 2 GLN CG C 5.516 -2.644 -1.397 1.00 . A A . 2 GLN CG 1 1 9 2106 1 1 2 GLN H H 3.198 -0.843 0.074 1.00 . A A . 2 GLN H 1 1 9 2107 1 1 2 GLN HA H 3.432 -1.455 -2.902 1.00 . A A . 2 GLN HA 1 1 9 2108 1 1 2 GLN HB2 H 3.675 -3.319 -0.459 1.00 . A A . 2 GLN HB2 1 1 9 2109 1 1 2 GLN HB3 H 3.867 -3.850 -2.113 1.00 . A A . 2 GLN HB3 1 1 9 2110 1 1 2 GLN HE21 H 7.992 -2.254 -1.790 1.00 . A A . 2 GLN HE21 1 1 9 2111 1 1 2 GLN HE22 H 7.967 -2.190 -3.632 1.00 . A A . 2 GLN HE22 1 1 9 2112 1 1 2 GLN HG2 H 5.671 -1.732 -0.790 1.00 . A A . 2 GLN HG2 1 1 9 2113 1 1 2 GLN HG3 H 6.007 -3.458 -0.834 1.00 . A A . 2 GLN HG3 1 1 9 2114 1 1 2 GLN N N 3.088 -0.711 -0.938 1.00 . A A . 2 GLN N 1 1 9 2115 1 1 2 GLN NE2 N 7.538 -2.271 -2.707 1.00 . A A . 2 GLN NE2 1 1 9 2116 1 1 2 GLN O O 1.265 -2.591 -3.385 1.00 . A A . 2 GLN O 1 1 9 2117 1 1 2 GLN OE1 O 5.687 -2.542 -3.832 1.00 . A A . 2 GLN OE1 1 1 9 2118 1 1 3 TRP C C -1.669 -2.133 -1.599 1.00 . A A . 3 TRP C 1 1 9 2119 1 1 3 TRP CA C -0.561 -3.218 -1.330 1.00 . A A . 3 TRP CA 1 1 9 2120 1 1 3 TRP CB C -0.827 -4.159 -0.111 1.00 . A A . 3 TRP CB 1 1 9 2121 1 1 3 TRP CD1 C -2.926 -3.614 1.244 1.00 . A A . 3 TRP CD1 1 1 9 2122 1 1 3 TRP CD2 C -1.114 -2.717 2.141 1.00 . A A . 3 TRP CD2 1 1 9 2123 1 1 3 TRP CE2 C -2.275 -2.259 2.820 1.00 . A A . 3 TRP CE2 1 1 9 2124 1 1 3 TRP CE3 C 0.170 -2.300 2.569 1.00 . A A . 3 TRP CE3 1 1 9 2125 1 1 3 TRP CG C -1.534 -3.551 1.118 1.00 . A A . 3 TRP CG 1 1 9 2126 1 1 3 TRP CH2 C -0.887 -1.049 4.378 1.00 . A A . 3 TRP CH2 1 1 9 2127 1 1 3 TRP CZ2 C -2.160 -1.409 3.939 1.00 . A A . 3 TRP CZ2 1 1 9 2128 1 1 3 TRP CZ3 C 0.259 -1.489 3.705 1.00 . A A . 3 TRP CZ3 1 1 9 2129 1 1 3 TRP H H 1.199 -2.374 -0.278 1.00 . A A . 3 TRP H 1 1 9 2130 1 1 3 TRP HA H -0.551 -3.884 -2.216 1.00 . A A . 3 TRP HA 1 1 9 2131 1 1 3 TRP HB2 H -1.453 -4.997 -0.474 1.00 . A A . 3 TRP HB2 1 1 9 2132 1 1 3 TRP HB3 H 0.088 -4.685 0.179 1.00 . A A . 3 TRP HB3 1 1 9 2133 1 1 3 TRP HD1 H -3.527 -4.201 0.579 1.00 . A A . 3 TRP HD1 1 1 9 2134 1 1 3 TRP HE1 H -4.386 -2.477 2.419 1.00 . A A . 3 TRP HE1 1 1 9 2135 1 1 3 TRP HE3 H 1.057 -2.607 2.039 1.00 . A A . 3 TRP HE3 1 1 9 2136 1 1 3 TRP HH2 H -0.784 -0.413 5.246 1.00 . A A . 3 TRP HH2 1 1 9 2137 1 1 3 TRP HZ2 H -3.042 -1.062 4.455 1.00 . A A . 3 TRP HZ2 1 1 9 2138 1 1 3 TRP HZ3 H 1.219 -1.194 4.091 1.00 . A A . 3 TRP HZ3 1 1 9 2139 1 1 3 TRP N N 0.813 -2.668 -1.178 1.00 . A A . 3 TRP N 1 1 9 2140 1 1 3 TRP NE1 N -3.418 -2.766 2.238 1.00 . A A . 3 TRP NE1 1 1 9 2141 1 1 3 TRP O O -1.458 -0.929 -1.433 1.00 . A A . 3 TRP O 1 1 9 2142 1 1 4 GLN C C -5.236 -2.078 -1.021 1.00 . A A . 4 GLN C 1 1 9 2143 1 1 4 GLN CA C -4.095 -1.726 -2.042 1.00 . A A . 4 GLN CA 1 1 9 2144 1 1 4 GLN CB C -4.442 -1.553 -3.543 1.00 . A A . 4 GLN CB 1 1 9 2145 1 1 4 GLN CD C -6.516 -3.039 -4.327 1.00 . A A . 4 GLN CD 1 1 9 2146 1 1 4 GLN CG C -5.000 -2.779 -4.322 1.00 . A A . 4 GLN CG 1 1 9 2147 1 1 4 GLN H H -2.884 -3.604 -2.136 1.00 . A A . 4 GLN H 1 1 9 2148 1 1 4 GLN HA H -3.835 -0.696 -1.742 1.00 . A A . 4 GLN HA 1 1 9 2149 1 1 4 GLN HB2 H -5.105 -0.675 -3.664 1.00 . A A . 4 GLN HB2 1 1 9 2150 1 1 4 GLN HB3 H -3.518 -1.220 -4.060 1.00 . A A . 4 GLN HB3 1 1 9 2151 1 1 4 GLN HE21 H -6.940 -1.114 -4.093 1.00 . A A . 4 GLN HE21 1 1 9 2152 1 1 4 GLN HE22 H -8.336 -2.310 -4.205 1.00 . A A . 4 GLN HE22 1 1 9 2153 1 1 4 GLN HG2 H -4.670 -2.702 -5.368 1.00 . A A . 4 GLN HG2 1 1 9 2154 1 1 4 GLN HG3 H -4.498 -3.701 -3.978 1.00 . A A . 4 GLN HG3 1 1 9 2155 1 1 4 GLN N N -2.884 -2.600 -1.936 1.00 . A A . 4 GLN N 1 1 9 2156 1 1 4 GLN NE2 N -7.355 -2.034 -4.266 1.00 . A A . 4 GLN NE2 1 1 9 2157 1 1 4 GLN O O -5.477 -1.300 -0.094 1.00 . A A . 4 GLN O 1 1 9 2158 1 1 4 GLN OE1 O -6.964 -4.178 -4.348 1.00 . A A . 4 GLN OE1 1 1 9 2159 1 1 5 ARG C C -6.904 -5.185 0.131 1.00 . A A . 5 ARG C 1 1 9 2160 1 1 5 ARG CA C -7.004 -3.654 -0.196 1.00 . A A . 5 ARG CA 1 1 9 2161 1 1 5 ARG CB C -8.377 -3.176 -0.746 1.00 . A A . 5 ARG CB 1 1 9 2162 1 1 5 ARG CD C -10.876 -2.744 -0.116 1.00 . A A . 5 ARG CD 1 1 9 2163 1 1 5 ARG CG C -9.598 -3.564 0.129 1.00 . A A . 5 ARG CG 1 1 9 2164 1 1 5 ARG CZ C -11.827 -0.663 0.915 1.00 . A A . 5 ARG CZ 1 1 9 2165 1 1 5 ARG H H -5.727 -3.728 -2.019 1.00 . A A . 5 ARG H 1 1 9 2166 1 1 5 ARG HA H -6.880 -3.129 0.775 1.00 . A A . 5 ARG HA 1 1 9 2167 1 1 5 ARG HB2 H -8.333 -2.075 -0.861 1.00 . A A . 5 ARG HB2 1 1 9 2168 1 1 5 ARG HB3 H -8.524 -3.567 -1.773 1.00 . A A . 5 ARG HB3 1 1 9 2169 1 1 5 ARG HD2 H -11.025 -2.561 -1.201 1.00 . A A . 5 ARG HD2 1 1 9 2170 1 1 5 ARG HD3 H -11.747 -3.346 0.217 1.00 . A A . 5 ARG HD3 1 1 9 2171 1 1 5 ARG HE H -9.901 -1.173 1.049 1.00 . A A . 5 ARG HE 1 1 9 2172 1 1 5 ARG HG2 H -9.826 -4.629 -0.072 1.00 . A A . 5 ARG HG2 1 1 9 2173 1 1 5 ARG HG3 H -9.329 -3.552 1.206 1.00 . A A . 5 ARG HG3 1 1 9 2174 1 1 5 ARG HH11 H -13.132 -1.668 -0.158 1.00 . A A . 5 ARG HH11 1 1 9 2175 1 1 5 ARG HH12 H -13.771 -0.189 0.707 1.00 . A A . 5 ARG HH12 1 1 9 2176 1 1 5 ARG HH21 H -10.670 0.507 2.029 1.00 . A A . 5 ARG HH21 1 1 9 2177 1 1 5 ARG HH22 H -12.423 0.971 1.878 1.00 . A A . 5 ARG HH22 1 1 9 2178 1 1 5 ARG N N -5.928 -3.227 -1.147 1.00 . A A . 5 ARG N 1 1 9 2179 1 1 5 ARG NE N -10.797 -1.466 0.644 1.00 . A A . 5 ARG NE 1 1 9 2180 1 1 5 ARG NH1 N -13.040 -0.857 0.457 1.00 . A A . 5 ARG NH1 1 1 9 2181 1 1 5 ARG NH2 N -11.619 0.372 1.676 1.00 . A A . 5 ARG NH2 1 1 9 2182 1 1 5 ARG O O -7.754 -5.999 -0.242 1.00 . A A . 5 ARG O 1 1 9 2183 1 1 6 ASN C C -4.228 -6.874 2.148 1.00 . A A . 6 ASN C 1 1 9 2184 1 1 6 ASN CA C -5.515 -6.954 1.254 1.00 . A A . 6 ASN CA 1 1 9 2185 1 1 6 ASN CB C -5.328 -7.874 -0.006 1.00 . A A . 6 ASN CB 1 1 9 2186 1 1 6 ASN CG C -6.266 -9.077 -0.112 1.00 . A A . 6 ASN CG 1 1 9 2187 1 1 6 ASN H H -5.161 -4.801 0.964 1.00 . A A . 6 ASN H 1 1 9 2188 1 1 6 ASN HA H -6.340 -7.345 1.883 1.00 . A A . 6 ASN HA 1 1 9 2189 1 1 6 ASN HB2 H -5.397 -7.299 -0.950 1.00 . A A . 6 ASN HB2 1 1 9 2190 1 1 6 ASN HB3 H -4.297 -8.260 -0.058 1.00 . A A . 6 ASN HB3 1 1 9 2191 1 1 6 ASN HD21 H -7.717 -7.902 -0.760 1.00 . A A . 6 ASN HD21 1 1 9 2192 1 1 6 ASN HD22 H -7.966 -9.738 -0.819 1.00 . A A . 6 ASN HD22 1 1 9 2193 1 1 6 ASN N N -5.842 -5.556 0.862 1.00 . A A . 6 ASN N 1 1 9 2194 1 1 6 ASN ND2 N -7.491 -8.880 -0.528 1.00 . A A . 6 ASN ND2 1 1 9 2195 1 1 6 ASN O O -3.116 -7.032 1.635 1.00 . A A . 6 ASN O 1 1 9 2196 1 1 6 ASN OD1 O -5.897 -10.217 0.137 1.00 . A A . 6 ASN OD1 1 1 9 2197 1 1 7 ILE C C -2.633 -7.838 4.835 1.00 . A A . 7 ILE C 1 1 9 2198 1 1 7 ILE CA C -3.124 -6.424 4.346 1.00 . A A . 7 ILE CA 1 1 9 2199 1 1 7 ILE CB C -3.265 -5.402 5.551 1.00 . A A . 7 ILE CB 1 1 9 2200 1 1 7 ILE CD1 C -4.254 -3.094 6.416 1.00 . A A . 7 ILE CD1 1 1 9 2201 1 1 7 ILE CG1 C -4.285 -4.237 5.381 1.00 . A A . 7 ILE CG1 1 1 9 2202 1 1 7 ILE CG2 C -1.848 -4.900 5.928 1.00 . A A . 7 ILE CG2 1 1 9 2203 1 1 7 ILE H H -5.277 -6.404 3.825 1.00 . A A . 7 ILE H 1 1 9 2204 1 1 7 ILE HA H -2.333 -6.000 3.684 1.00 . A A . 7 ILE HA 1 1 9 2205 1 1 7 ILE HB H -3.636 -5.946 6.437 1.00 . A A . 7 ILE HB 1 1 9 2206 1 1 7 ILE HD11 H -5.033 -2.337 6.213 1.00 . A A . 7 ILE HD11 1 1 9 2207 1 1 7 ILE HD12 H -4.394 -3.457 7.448 1.00 . A A . 7 ILE HD12 1 1 9 2208 1 1 7 ILE HD13 H -3.288 -2.552 6.392 1.00 . A A . 7 ILE HD13 1 1 9 2209 1 1 7 ILE HG12 H -4.160 -3.797 4.386 1.00 . A A . 7 ILE HG12 1 1 9 2210 1 1 7 ILE HG13 H -5.308 -4.657 5.363 1.00 . A A . 7 ILE HG13 1 1 9 2211 1 1 7 ILE HG21 H -1.434 -4.241 5.141 1.00 . A A . 7 ILE HG21 1 1 9 2212 1 1 7 ILE HG22 H -1.847 -4.328 6.872 1.00 . A A . 7 ILE HG22 1 1 9 2213 1 1 7 ILE HG23 H -1.134 -5.733 6.068 1.00 . A A . 7 ILE HG23 1 1 9 2214 1 1 7 ILE N N -4.336 -6.592 3.471 1.00 . A A . 7 ILE N 1 1 9 2215 1 1 7 ILE O O -1.589 -8.343 4.422 1.00 . A A . 7 ILE O 1 1 9 2216 1 1 8 ARG C C -3.576 -11.007 5.014 1.00 . A A . 8 ARG C 1 1 9 2217 1 1 8 ARG CA C -3.338 -9.900 6.099 1.00 . A A . 8 ARG CA 1 1 9 2218 1 1 8 ARG CB C -4.302 -10.110 7.310 1.00 . A A . 8 ARG CB 1 1 9 2219 1 1 8 ARG CD C -6.292 -8.571 8.176 1.00 . A A . 8 ARG CD 1 1 9 2220 1 1 8 ARG CG C -5.780 -9.607 7.149 1.00 . A A . 8 ARG CG 1 1 9 2221 1 1 8 ARG CZ C -5.534 -6.383 9.160 1.00 . A A . 8 ARG CZ 1 1 9 2222 1 1 8 ARG H H -4.310 -7.945 5.865 1.00 . A A . 8 ARG H 1 1 9 2223 1 1 8 ARG HA H -2.312 -10.065 6.478 1.00 . A A . 8 ARG HA 1 1 9 2224 1 1 8 ARG HB2 H -4.312 -11.184 7.586 1.00 . A A . 8 ARG HB2 1 1 9 2225 1 1 8 ARG HB3 H -3.834 -9.657 8.205 1.00 . A A . 8 ARG HB3 1 1 9 2226 1 1 8 ARG HD2 H -7.274 -8.194 7.824 1.00 . A A . 8 ARG HD2 1 1 9 2227 1 1 8 ARG HD3 H -6.489 -9.089 9.136 1.00 . A A . 8 ARG HD3 1 1 9 2228 1 1 8 ARG HE H -4.351 -7.573 8.103 1.00 . A A . 8 ARG HE 1 1 9 2229 1 1 8 ARG HG2 H -5.937 -9.193 6.134 1.00 . A A . 8 ARG HG2 1 1 9 2230 1 1 8 ARG HG3 H -6.457 -10.479 7.160 1.00 . A A . 8 ARG HG3 1 1 9 2231 1 1 8 ARG HH11 H -7.447 -6.731 9.454 1.00 . A A . 8 ARG HH11 1 1 9 2232 1 1 8 ARG HH12 H -6.763 -5.244 10.268 1.00 . A A . 8 ARG HH12 1 1 9 2233 1 1 8 ARG HH21 H -3.615 -5.867 9.030 1.00 . A A . 8 ARG HH21 1 1 9 2234 1 1 8 ARG HH22 H -4.697 -4.804 10.031 1.00 . A A . 8 ARG HH22 1 1 9 2235 1 1 8 ARG N N -3.447 -8.468 5.697 1.00 . A A . 8 ARG N 1 1 9 2236 1 1 8 ARG NE N -5.330 -7.448 8.385 1.00 . A A . 8 ARG NE 1 1 9 2237 1 1 8 ARG NH1 N -6.696 -6.077 9.680 1.00 . A A . 8 ARG NH1 1 1 9 2238 1 1 8 ARG NH2 N -4.523 -5.603 9.417 1.00 . A A . 8 ARG NH2 1 1 9 2239 1 1 8 ARG O O -3.125 -12.133 5.221 1.00 . A A . 8 ARG O 1 1 9 2240 1 1 9 LYS C C -5.277 -13.103 3.289 1.00 . A A . 9 LYS C 1 1 9 2241 1 1 9 LYS CA C -4.692 -11.708 2.860 1.00 . A A . 9 LYS CA 1 1 9 2242 1 1 9 LYS CB C -3.621 -11.726 1.725 1.00 . A A . 9 LYS CB 1 1 9 2243 1 1 9 LYS CD C -1.992 -13.667 1.067 1.00 . A A . 9 LYS CD 1 1 9 2244 1 1 9 LYS CE C -1.634 -13.281 -0.382 1.00 . A A . 9 LYS CE 1 1 9 2245 1 1 9 LYS CG C -2.277 -12.463 1.993 1.00 . A A . 9 LYS CG 1 1 9 2246 1 1 9 LYS H H -4.440 -9.712 3.796 1.00 . A A . 9 LYS H 1 1 9 2247 1 1 9 LYS HA H -5.571 -11.242 2.378 1.00 . A A . 9 LYS HA 1 1 9 2248 1 1 9 LYS HB2 H -4.111 -12.148 0.827 1.00 . A A . 9 LYS HB2 1 1 9 2249 1 1 9 LYS HB3 H -3.401 -10.683 1.421 1.00 . A A . 9 LYS HB3 1 1 9 2250 1 1 9 LYS HD2 H -1.165 -14.254 1.515 1.00 . A A . 9 LYS HD2 1 1 9 2251 1 1 9 LYS HD3 H -2.867 -14.348 1.096 1.00 . A A . 9 LYS HD3 1 1 9 2252 1 1 9 LYS HE2 H -2.433 -12.643 -0.822 1.00 . A A . 9 LYS HE2 1 1 9 2253 1 1 9 LYS HE3 H -0.721 -12.644 -0.389 1.00 . A A . 9 LYS HE3 1 1 9 2254 1 1 9 LYS HG2 H -1.436 -11.742 1.968 1.00 . A A . 9 LYS HG2 1 1 9 2255 1 1 9 LYS HG3 H -2.264 -12.838 3.034 1.00 . A A . 9 LYS HG3 1 1 9 2256 1 1 9 LYS HZ1 H -0.700 -15.123 -0.801 1.00 . A A . 9 LYS HZ1 1 1 9 2257 1 1 9 LYS HZ2 H -2.281 -15.100 -1.223 1.00 . A A . 9 LYS HZ2 1 1 9 2258 1 1 9 LYS HZ3 H -1.172 -14.335 -2.166 1.00 . A A . 9 LYS HZ3 1 1 9 2259 1 1 9 LYS N N -4.319 -10.721 3.923 1.00 . A A . 9 LYS N 1 1 9 2260 1 1 9 LYS NZ N -1.435 -14.516 -1.188 1.00 . A A . 9 LYS NZ 1 1 9 2261 1 1 9 LYS O O -4.838 -14.152 2.810 1.00 . A A . 9 LYS O 1 1 9 2262 1 1 10 VAL C C -8.473 -14.351 4.517 1.00 . A A . 10 VAL C 1 1 9 2263 1 1 10 VAL CA C -6.921 -14.352 4.707 1.00 . A A . 10 VAL CA 1 1 9 2264 1 1 10 VAL CB C -6.406 -14.764 6.139 1.00 . A A . 10 VAL CB 1 1 9 2265 1 1 10 VAL CG1 C -4.941 -15.257 6.119 1.00 . A A . 10 VAL CG1 1 1 9 2266 1 1 10 VAL CG2 C -6.533 -13.706 7.262 1.00 . A A . 10 VAL CG2 1 1 9 2267 1 1 10 VAL H H -6.486 -12.170 4.555 1.00 . A A . 10 VAL H 1 1 9 2268 1 1 10 VAL HA H -6.617 -15.200 4.059 1.00 . A A . 10 VAL HA 1 1 9 2269 1 1 10 VAL HB H -7.010 -15.639 6.455 1.00 . A A . 10 VAL HB 1 1 9 2270 1 1 10 VAL HG11 H -4.788 -16.066 5.381 1.00 . A A . 10 VAL HG11 1 1 9 2271 1 1 10 VAL HG12 H -4.234 -14.448 5.855 1.00 . A A . 10 VAL HG12 1 1 9 2272 1 1 10 VAL HG13 H -4.622 -15.659 7.099 1.00 . A A . 10 VAL HG13 1 1 9 2273 1 1 10 VAL HG21 H -7.576 -13.410 7.461 1.00 . A A . 10 VAL HG21 1 1 9 2274 1 1 10 VAL HG22 H -6.142 -14.085 8.225 1.00 . A A . 10 VAL HG22 1 1 9 2275 1 1 10 VAL HG23 H -5.961 -12.793 7.024 1.00 . A A . 10 VAL HG23 1 1 9 2276 1 1 10 VAL N N -6.302 -13.098 4.165 1.00 . A A . 10 VAL N 1 1 9 2277 1 1 10 VAL O O -8.962 -15.051 3.628 1.00 . A A . 10 VAL O 1 1 9 2278 1 1 11 ARG C C -11.321 -15.079 5.734 1.00 . A A . 11 ARG C 1 1 9 2279 1 1 11 ARG CA C -10.752 -13.666 5.350 1.00 . A A . 11 ARG CA 1 1 9 2280 1 1 11 ARG CB C -11.397 -13.057 4.063 1.00 . A A . 11 ARG CB 1 1 9 2281 1 1 11 ARG CD C -10.338 -10.655 4.041 1.00 . A A . 11 ARG CD 1 1 9 2282 1 1 11 ARG CG C -11.615 -11.526 4.017 1.00 . A A . 11 ARG CG 1 1 9 2283 1 1 11 ARG CZ C -10.707 -8.835 2.340 1.00 . A A . 11 ARG CZ 1 1 9 2284 1 1 11 ARG H H -8.715 -13.098 6.040 1.00 . A A . 11 ARG H 1 1 9 2285 1 1 11 ARG HA H -11.077 -13.007 6.179 1.00 . A A . 11 ARG HA 1 1 9 2286 1 1 11 ARG HB2 H -10.845 -13.393 3.164 1.00 . A A . 11 ARG HB2 1 1 9 2287 1 1 11 ARG HB3 H -12.398 -13.513 3.921 1.00 . A A . 11 ARG HB3 1 1 9 2288 1 1 11 ARG HD2 H -9.928 -10.636 5.072 1.00 . A A . 11 ARG HD2 1 1 9 2289 1 1 11 ARG HD3 H -9.519 -11.105 3.443 1.00 . A A . 11 ARG HD3 1 1 9 2290 1 1 11 ARG HE H -10.892 -8.541 4.295 1.00 . A A . 11 ARG HE 1 1 9 2291 1 1 11 ARG HG2 H -12.199 -11.313 3.099 1.00 . A A . 11 ARG HG2 1 1 9 2292 1 1 11 ARG HG3 H -12.290 -11.219 4.839 1.00 . A A . 11 ARG HG3 1 1 9 2293 1 1 11 ARG HH11 H -10.263 -10.575 1.553 1.00 . A A . 11 ARG HH11 1 1 9 2294 1 1 11 ARG HH12 H -10.571 -9.213 0.369 1.00 . A A . 11 ARG HH12 1 1 9 2295 1 1 11 ARG HH21 H -11.243 -7.016 2.931 1.00 . A A . 11 ARG HH21 1 1 9 2296 1 1 11 ARG HH22 H -11.095 -7.307 1.138 1.00 . A A . 11 ARG HH22 1 1 9 2297 1 1 11 ARG N N -9.253 -13.599 5.328 1.00 . A A . 11 ARG N 1 1 9 2298 1 1 11 ARG NE N -10.641 -9.258 3.608 1.00 . A A . 11 ARG NE 1 1 9 2299 1 1 11 ARG NH1 N -10.476 -9.606 1.306 1.00 . A A . 11 ARG NH1 1 1 9 2300 1 1 11 ARG NH2 N -11.031 -7.595 2.116 1.00 . A A . 11 ARG NH2 1 1 9 2301 1 1 11 ARG O O -11.794 -15.856 4.909 1.00 . A A . 11 ARG O 1 1 9 2302 1 1 12 NH2 HN1 H -11.684 -16.419 7.123 1.00 . A A . 12 NH2 HN1 1 1 9 2303 1 1 12 NH2 HN2 H -10.859 -14.874 7.686 1.00 . A A . 12 NH2 HN2 1 1 9 2304 1 1 12 NH2 N N -11.322 -15.469 6.995 1.00 . A A . 12 NH2 N 1 1 9 2305 2 2 1 DAO C1 C -0.175 1.514 0.381 1.00 . B A . 13 DAO C1 1 1 9 2306 2 2 1 DAO C10 C -0.781 3.311 8.021 1.00 . B A . 13 DAO C10 1 1 9 2307 2 2 1 DAO C11 C 0.115 3.995 9.074 1.00 . B A . 13 DAO C11 1 1 9 2308 2 2 1 DAO C12 C -0.643 4.610 10.262 1.00 . B A . 13 DAO C12 1 1 9 2309 2 2 1 DAO C2 C -1.262 1.103 1.371 1.00 . B A . 13 DAO C2 1 1 9 2310 2 2 1 DAO C3 C -2.418 2.088 1.621 1.00 . B A . 13 DAO C3 1 1 9 2311 2 2 1 DAO C4 C -1.948 3.390 2.300 1.00 . B A . 13 DAO C4 1 1 9 2312 2 2 1 DAO C5 C -3.081 4.367 2.677 1.00 . B A . 13 DAO C5 1 1 9 2313 2 2 1 DAO C6 C -3.902 4.035 3.948 1.00 . B A . 13 DAO C6 1 1 9 2314 2 2 1 DAO C7 C -3.321 4.566 5.281 1.00 . B A . 13 DAO C7 1 1 9 2315 2 2 1 DAO C8 C -2.359 3.608 6.013 1.00 . B A . 13 DAO C8 1 1 9 2316 2 2 1 DAO C9 C -1.690 4.276 7.230 1.00 . B A . 13 DAO C9 1 1 9 2317 2 2 1 DAO H101 H -1.394 2.524 8.501 1.00 . B A . 13 DAO H101 1 1 9 2318 2 2 1 DAO H102 H -0.122 2.771 7.313 1.00 . B A . 13 DAO H102 1 1 9 2319 2 2 1 DAO H111 H 0.835 3.251 9.465 1.00 . B A . 13 DAO H111 1 1 9 2320 2 2 1 DAO H112 H 0.741 4.769 8.590 1.00 . B A . 13 DAO H112 1 1 9 2321 2 2 1 DAO H121 H 0.056 5.043 11.001 1.00 . B A . 13 DAO H121 1 1 9 2322 2 2 1 DAO H122 H -1.318 5.426 9.943 1.00 . B A . 13 DAO H122 1 1 9 2323 2 2 1 DAO H123 H -1.257 3.860 10.793 1.00 . B A . 13 DAO H123 1 1 9 2324 2 2 1 DAO H21 H -1.665 0.143 1.023 1.00 . B A . 13 DAO H21 1 1 9 2325 2 2 1 DAO H22 H -0.783 0.869 2.336 1.00 . B A . 13 DAO H22 1 1 9 2326 2 2 1 DAO H31 H -2.932 2.306 0.666 1.00 . B A . 13 DAO H31 1 1 9 2327 2 2 1 DAO H32 H -3.168 1.580 2.258 1.00 . B A . 13 DAO H32 1 1 9 2328 2 2 1 DAO H41 H -1.330 3.135 3.176 1.00 . B A . 13 DAO H41 1 1 9 2329 2 2 1 DAO H42 H -1.256 3.912 1.612 1.00 . B A . 13 DAO H42 1 1 9 2330 2 2 1 DAO H51 H -3.770 4.451 1.814 1.00 . B A . 13 DAO H51 1 1 9 2331 2 2 1 DAO H52 H -2.659 5.386 2.775 1.00 . B A . 13 DAO H52 1 1 9 2332 2 2 1 DAO H61 H -4.894 4.507 3.820 1.00 . B A . 13 DAO H61 1 1 9 2333 2 2 1 DAO H62 H -4.126 2.953 4.011 1.00 . B A . 13 DAO H62 1 1 9 2334 2 2 1 DAO H71 H -2.835 5.547 5.113 1.00 . B A . 13 DAO H71 1 1 9 2335 2 2 1 DAO H72 H -4.162 4.790 5.965 1.00 . B A . 13 DAO H72 1 1 9 2336 2 2 1 DAO H81 H -2.911 2.701 6.329 1.00 . B A . 13 DAO H81 1 1 9 2337 2 2 1 DAO H82 H -1.573 3.251 5.325 1.00 . B A . 13 DAO H82 1 1 9 2338 2 2 1 DAO H91 H -2.461 4.693 7.906 1.00 . B A . 13 DAO H91 1 1 9 2339 2 2 1 DAO H92 H -1.097 5.146 6.885 1.00 . B A . 13 DAO H92 1 1 9 2340 2 2 1 DAO O1 O -0.411 2.146 -0.647 1.00 . B A . 13 DAO O1 1 1 10 2341 1 1 1 PHE C C 2.223 0.204 -1.685 1.00 . A A . 1 PHE C 1 1 10 2342 1 1 1 PHE CA C 1.716 1.421 -0.856 1.00 . A A . 1 PHE CA 1 1 10 2343 1 1 1 PHE CB C 2.882 2.225 -0.191 1.00 . A A . 1 PHE CB 1 1 10 2344 1 1 1 PHE CD1 C 1.699 4.372 0.531 1.00 . A A . 1 PHE CD1 1 1 10 2345 1 1 1 PHE CD2 C 2.813 3.042 2.212 1.00 . A A . 1 PHE CD2 1 1 10 2346 1 1 1 PHE CE1 C 1.217 5.220 1.524 1.00 . A A . 1 PHE CE1 1 1 10 2347 1 1 1 PHE CE2 C 2.335 3.894 3.203 1.00 . A A . 1 PHE CE2 1 1 10 2348 1 1 1 PHE CG C 2.492 3.273 0.869 1.00 . A A . 1 PHE CG 1 1 10 2349 1 1 1 PHE CZ C 1.536 4.982 2.860 1.00 . A A . 1 PHE CZ 1 1 10 2350 1 1 1 PHE H1 H 0.762 1.576 0.982 1.00 . A A . 1 PHE H1 1 1 10 2351 1 1 1 PHE HA H 1.236 2.113 -1.575 1.00 . A A . 1 PHE HA 1 1 10 2352 1 1 1 PHE HB2 H 3.616 1.522 0.247 1.00 . A A . 1 PHE HB2 1 1 10 2353 1 1 1 PHE HB3 H 3.457 2.730 -0.988 1.00 . A A . 1 PHE HB3 1 1 10 2354 1 1 1 PHE HD1 H 1.412 4.546 -0.498 1.00 . A A . 1 PHE HD1 1 1 10 2355 1 1 1 PHE HD2 H 3.404 2.185 2.499 1.00 . A A . 1 PHE HD2 1 1 10 2356 1 1 1 PHE HE1 H 0.574 6.042 1.251 1.00 . A A . 1 PHE HE1 1 1 10 2357 1 1 1 PHE HE2 H 2.574 3.684 4.235 1.00 . A A . 1 PHE HE2 1 1 10 2358 1 1 1 PHE HZ H 1.151 5.634 3.632 1.00 . A A . 1 PHE HZ 1 1 10 2359 1 1 1 PHE N N 0.691 0.986 0.146 1.00 . A A . 1 PHE N 1 1 10 2360 1 1 1 PHE O O 2.105 0.187 -2.911 1.00 . A A . 1 PHE O 1 1 10 2361 1 1 2 GLN C C 1.872 -3.008 -2.034 1.00 . A A . 2 GLN C 1 1 10 2362 1 1 2 GLN CA C 3.108 -2.138 -1.621 1.00 . A A . 2 GLN CA 1 1 10 2363 1 1 2 GLN CB C 4.038 -2.938 -0.659 1.00 . A A . 2 GLN CB 1 1 10 2364 1 1 2 GLN CD C 6.437 -2.174 -1.371 1.00 . A A . 2 GLN CD 1 1 10 2365 1 1 2 GLN CG C 5.392 -2.295 -0.257 1.00 . A A . 2 GLN CG 1 1 10 2366 1 1 2 GLN H H 2.849 -0.611 0.001 1.00 . A A . 2 GLN H 1 1 10 2367 1 1 2 GLN HA H 3.670 -1.957 -2.558 1.00 . A A . 2 GLN HA 1 1 10 2368 1 1 2 GLN HB2 H 3.481 -3.170 0.269 1.00 . A A . 2 GLN HB2 1 1 10 2369 1 1 2 GLN HB3 H 4.250 -3.932 -1.102 1.00 . A A . 2 GLN HB3 1 1 10 2370 1 1 2 GLN HE21 H 5.607 -0.490 -2.020 1.00 . A A . 2 GLN HE21 1 1 10 2371 1 1 2 GLN HE22 H 7.101 -1.129 -2.893 1.00 . A A . 2 GLN HE22 1 1 10 2372 1 1 2 GLN HG2 H 5.225 -1.310 0.219 1.00 . A A . 2 GLN HG2 1 1 10 2373 1 1 2 GLN HG3 H 5.839 -2.912 0.543 1.00 . A A . 2 GLN HG3 1 1 10 2374 1 1 2 GLN N N 2.778 -0.816 -1.003 1.00 . A A . 2 GLN N 1 1 10 2375 1 1 2 GLN NE2 N 6.417 -1.107 -2.132 1.00 . A A . 2 GLN NE2 1 1 10 2376 1 1 2 GLN O O 1.854 -3.573 -3.130 1.00 . A A . 2 GLN O 1 1 10 2377 1 1 2 GLN OE1 O 7.286 -3.036 -1.564 1.00 . A A . 2 GLN OE1 1 1 10 2378 1 1 3 TRP C C -1.530 -2.925 -2.008 1.00 . A A . 3 TRP C 1 1 10 2379 1 1 3 TRP CA C -0.402 -3.849 -1.433 1.00 . A A . 3 TRP CA 1 1 10 2380 1 1 3 TRP CB C -0.798 -4.617 -0.133 1.00 . A A . 3 TRP CB 1 1 10 2381 1 1 3 TRP CD1 C -2.900 -3.954 1.224 1.00 . A A . 3 TRP CD1 1 1 10 2382 1 1 3 TRP CD2 C -1.086 -2.855 1.870 1.00 . A A . 3 TRP CD2 1 1 10 2383 1 1 3 TRP CE2 C -2.217 -2.386 2.589 1.00 . A A . 3 TRP CE2 1 1 10 2384 1 1 3 TRP CE3 C 0.191 -2.291 2.113 1.00 . A A . 3 TRP CE3 1 1 10 2385 1 1 3 TRP CG C -1.521 -3.834 0.987 1.00 . A A . 3 TRP CG 1 1 10 2386 1 1 3 TRP CH2 C -0.809 -0.827 3.783 1.00 . A A . 3 TRP CH2 1 1 10 2387 1 1 3 TRP CZ2 C -2.078 -1.347 3.537 1.00 . A A . 3 TRP CZ2 1 1 10 2388 1 1 3 TRP CZ3 C 0.309 -1.293 3.083 1.00 . A A . 3 TRP CZ3 1 1 10 2389 1 1 3 TRP H H 0.959 -2.488 -0.359 1.00 . A A . 3 TRP H 1 1 10 2390 1 1 3 TRP HA H -0.203 -4.624 -2.201 1.00 . A A . 3 TRP HA 1 1 10 2391 1 1 3 TRP HB2 H -1.452 -5.458 -0.434 1.00 . A A . 3 TRP HB2 1 1 10 2392 1 1 3 TRP HB3 H 0.076 -5.144 0.271 1.00 . A A . 3 TRP HB3 1 1 10 2393 1 1 3 TRP HD1 H -3.521 -4.669 0.712 1.00 . A A . 3 TRP HD1 1 1 10 2394 1 1 3 TRP HE1 H -4.309 -2.905 2.549 1.00 . A A . 3 TRP HE1 1 1 10 2395 1 1 3 TRP HE3 H 1.053 -2.614 1.560 1.00 . A A . 3 TRP HE3 1 1 10 2396 1 1 3 TRP HH2 H -0.690 -0.039 4.513 1.00 . A A . 3 TRP HH2 1 1 10 2397 1 1 3 TRP HZ2 H -2.940 -0.949 4.050 1.00 . A A . 3 TRP HZ2 1 1 10 2398 1 1 3 TRP HZ3 H 1.272 -0.863 3.299 1.00 . A A . 3 TRP HZ3 1 1 10 2399 1 1 3 TRP N N 0.868 -3.132 -1.149 1.00 . A A . 3 TRP N 1 1 10 2400 1 1 3 TRP NE1 N -3.360 -3.048 2.192 1.00 . A A . 3 TRP NE1 1 1 10 2401 1 1 3 TRP O O -1.425 -1.695 -2.025 1.00 . A A . 3 TRP O 1 1 10 2402 1 1 4 GLN C C -4.739 -2.400 -1.531 1.00 . A A . 4 GLN C 1 1 10 2403 1 1 4 GLN CA C -3.893 -2.795 -2.781 1.00 . A A . 4 GLN CA 1 1 10 2404 1 1 4 GLN CB C -4.633 -3.591 -3.896 1.00 . A A . 4 GLN CB 1 1 10 2405 1 1 4 GLN CD C -4.874 -2.286 -6.145 1.00 . A A . 4 GLN CD 1 1 10 2406 1 1 4 GLN CG C -4.090 -3.319 -5.318 1.00 . A A . 4 GLN CG 1 1 10 2407 1 1 4 GLN H H -2.582 -4.562 -2.435 1.00 . A A . 4 GLN H 1 1 10 2408 1 1 4 GLN HA H -3.609 -1.815 -3.216 1.00 . A A . 4 GLN HA 1 1 10 2409 1 1 4 GLN HB2 H -4.601 -4.678 -3.683 1.00 . A A . 4 GLN HB2 1 1 10 2410 1 1 4 GLN HB3 H -5.717 -3.361 -3.890 1.00 . A A . 4 GLN HB3 1 1 10 2411 1 1 4 GLN HE21 H -4.512 -0.830 -4.821 1.00 . A A . 4 GLN HE21 1 1 10 2412 1 1 4 GLN HE22 H -5.582 -0.457 -6.266 1.00 . A A . 4 GLN HE22 1 1 10 2413 1 1 4 GLN HG2 H -3.022 -3.035 -5.288 1.00 . A A . 4 GLN HG2 1 1 10 2414 1 1 4 GLN HG3 H -4.099 -4.283 -5.851 1.00 . A A . 4 GLN HG3 1 1 10 2415 1 1 4 GLN N N -2.653 -3.540 -2.418 1.00 . A A . 4 GLN N 1 1 10 2416 1 1 4 GLN NE2 N -4.933 -1.039 -5.730 1.00 . A A . 4 GLN NE2 1 1 10 2417 1 1 4 GLN O O -4.405 -1.409 -0.880 1.00 . A A . 4 GLN O 1 1 10 2418 1 1 4 GLN OE1 O -5.468 -2.599 -7.169 1.00 . A A . 4 GLN OE1 1 1 10 2419 1 1 5 ARG C C -7.276 -3.890 0.798 1.00 . A A . 5 ARG C 1 1 10 2420 1 1 5 ARG CA C -6.730 -2.703 -0.070 1.00 . A A . 5 ARG CA 1 1 10 2421 1 1 5 ARG CB C -7.809 -1.730 -0.624 1.00 . A A . 5 ARG CB 1 1 10 2422 1 1 5 ARG CD C -9.828 -0.636 0.644 1.00 . A A . 5 ARG CD 1 1 10 2423 1 1 5 ARG CG C -8.303 -0.712 0.438 1.00 . A A . 5 ARG CG 1 1 10 2424 1 1 5 ARG CZ C -11.494 -2.185 1.711 1.00 . A A . 5 ARG CZ 1 1 10 2425 1 1 5 ARG H H -6.049 -3.856 -1.870 1.00 . A A . 5 ARG H 1 1 10 2426 1 1 5 ARG HA H -6.124 -2.119 0.653 1.00 . A A . 5 ARG HA 1 1 10 2427 1 1 5 ARG HB2 H -7.410 -1.143 -1.477 1.00 . A A . 5 ARG HB2 1 1 10 2428 1 1 5 ARG HB3 H -8.642 -2.306 -1.073 1.00 . A A . 5 ARG HB3 1 1 10 2429 1 1 5 ARG HD2 H -10.059 0.214 1.319 1.00 . A A . 5 ARG HD2 1 1 10 2430 1 1 5 ARG HD3 H -10.337 -0.423 -0.319 1.00 . A A . 5 ARG HD3 1 1 10 2431 1 1 5 ARG HE H -9.636 -2.735 1.213 1.00 . A A . 5 ARG HE 1 1 10 2432 1 1 5 ARG HG2 H -7.813 -0.899 1.416 1.00 . A A . 5 ARG HG2 1 1 10 2433 1 1 5 ARG HG3 H -7.911 0.281 0.147 1.00 . A A . 5 ARG HG3 1 1 10 2434 1 1 5 ARG HH11 H -12.203 -0.381 1.406 1.00 . A A . 5 ARG HH11 1 1 10 2435 1 1 5 ARG HH12 H -13.358 -1.581 2.165 1.00 . A A . 5 ARG HH12 1 1 10 2436 1 1 5 ARG HH21 H -10.948 -4.049 2.064 1.00 . A A . 5 ARG HH21 1 1 10 2437 1 1 5 ARG HH22 H -12.656 -3.586 2.519 1.00 . A A . 5 ARG HH22 1 1 10 2438 1 1 5 ARG N N -5.835 -3.111 -1.198 1.00 . A A . 5 ARG N 1 1 10 2439 1 1 5 ARG NE N -10.286 -1.927 1.223 1.00 . A A . 5 ARG NE 1 1 10 2440 1 1 5 ARG NH1 N -12.457 -1.299 1.775 1.00 . A A . 5 ARG NH1 1 1 10 2441 1 1 5 ARG NH2 N -11.725 -3.388 2.146 1.00 . A A . 5 ARG NH2 1 1 10 2442 1 1 5 ARG O O -8.479 -4.064 1.023 1.00 . A A . 5 ARG O 1 1 10 2443 1 1 6 ASN C C -5.190 -6.168 2.901 1.00 . A A . 6 ASN C 1 1 10 2444 1 1 6 ASN CA C -6.563 -5.816 2.244 1.00 . A A . 6 ASN CA 1 1 10 2445 1 1 6 ASN CB C -7.168 -7.021 1.463 1.00 . A A . 6 ASN CB 1 1 10 2446 1 1 6 ASN CG C -7.594 -8.220 2.324 1.00 . A A . 6 ASN CG 1 1 10 2447 1 1 6 ASN H H -5.396 -4.321 1.074 1.00 . A A . 6 ASN H 1 1 10 2448 1 1 6 ASN HA H -7.284 -5.513 3.031 1.00 . A A . 6 ASN HA 1 1 10 2449 1 1 6 ASN HB2 H -8.062 -6.686 0.908 1.00 . A A . 6 ASN HB2 1 1 10 2450 1 1 6 ASN HB3 H -6.451 -7.346 0.684 1.00 . A A . 6 ASN HB3 1 1 10 2451 1 1 6 ASN HD21 H -7.318 -9.458 0.783 1.00 . A A . 6 ASN HD21 1 1 10 2452 1 1 6 ASN HD22 H -7.874 -10.161 2.393 1.00 . A A . 6 ASN HD22 1 1 10 2453 1 1 6 ASN N N -6.326 -4.659 1.339 1.00 . A A . 6 ASN N 1 1 10 2454 1 1 6 ASN ND2 N -7.643 -9.398 1.752 1.00 . A A . 6 ASN ND2 1 1 10 2455 1 1 6 ASN O O -4.304 -6.708 2.230 1.00 . A A . 6 ASN O 1 1 10 2456 1 1 6 ASN OD1 O -7.901 -8.116 3.508 1.00 . A A . 6 ASN OD1 1 1 10 2457 1 1 7 ILE C C -3.302 -7.567 5.101 1.00 . A A . 7 ILE C 1 1 10 2458 1 1 7 ILE CA C -3.671 -6.048 4.883 1.00 . A A . 7 ILE CA 1 1 10 2459 1 1 7 ILE CB C -3.538 -5.270 6.250 1.00 . A A . 7 ILE CB 1 1 10 2460 1 1 7 ILE CD1 C -4.290 -2.791 5.736 1.00 . A A . 7 ILE CD1 1 1 10 2461 1 1 7 ILE CG1 C -4.483 -4.076 6.545 1.00 . A A . 7 ILE CG1 1 1 10 2462 1 1 7 ILE CG2 C -2.066 -4.909 6.546 1.00 . A A . 7 ILE CG2 1 1 10 2463 1 1 7 ILE H H -5.775 -5.401 4.676 1.00 . A A . 7 ILE H 1 1 10 2464 1 1 7 ILE HA H -2.921 -5.600 4.205 1.00 . A A . 7 ILE HA 1 1 10 2465 1 1 7 ILE HB H -3.813 -5.980 7.049 1.00 . A A . 7 ILE HB 1 1 10 2466 1 1 7 ILE HD11 H -3.287 -2.355 5.905 1.00 . A A . 7 ILE HD11 1 1 10 2467 1 1 7 ILE HD12 H -4.399 -2.974 4.656 1.00 . A A . 7 ILE HD12 1 1 10 2468 1 1 7 ILE HD13 H -5.025 -2.015 6.014 1.00 . A A . 7 ILE HD13 1 1 10 2469 1 1 7 ILE HG12 H -5.526 -4.417 6.424 1.00 . A A . 7 ILE HG12 1 1 10 2470 1 1 7 ILE HG13 H -4.391 -3.824 7.612 1.00 . A A . 7 ILE HG13 1 1 10 2471 1 1 7 ILE HG21 H -1.669 -4.195 5.800 1.00 . A A . 7 ILE HG21 1 1 10 2472 1 1 7 ILE HG22 H -1.945 -4.451 7.544 1.00 . A A . 7 ILE HG22 1 1 10 2473 1 1 7 ILE HG23 H -1.414 -5.803 6.517 1.00 . A A . 7 ILE HG23 1 1 10 2474 1 1 7 ILE N N -4.994 -5.854 4.195 1.00 . A A . 7 ILE N 1 1 10 2475 1 1 7 ILE O O -2.218 -8.042 4.762 1.00 . A A . 7 ILE O 1 1 10 2476 1 1 8 ARG C C -4.156 -10.618 4.663 1.00 . A A . 8 ARG C 1 1 10 2477 1 1 8 ARG CA C -4.240 -9.749 5.961 1.00 . A A . 8 ARG CA 1 1 10 2478 1 1 8 ARG CB C -5.472 -10.151 6.853 1.00 . A A . 8 ARG CB 1 1 10 2479 1 1 8 ARG CD C -7.060 -8.313 7.957 1.00 . A A . 8 ARG CD 1 1 10 2480 1 1 8 ARG CG C -6.784 -9.297 6.788 1.00 . A A . 8 ARG CG 1 1 10 2481 1 1 8 ARG CZ C -5.842 -6.610 9.353 1.00 . A A . 8 ARG CZ 1 1 10 2482 1 1 8 ARG H H -5.123 -7.751 5.766 1.00 . A A . 8 ARG H 1 1 10 2483 1 1 8 ARG HA H -3.338 -9.960 6.566 1.00 . A A . 8 ARG HA 1 1 10 2484 1 1 8 ARG HB2 H -5.743 -11.206 6.642 1.00 . A A . 8 ARG HB2 1 1 10 2485 1 1 8 ARG HB3 H -5.140 -10.211 7.907 1.00 . A A . 8 ARG HB3 1 1 10 2486 1 1 8 ARG HD2 H -7.876 -7.627 7.648 1.00 . A A . 8 ARG HD2 1 1 10 2487 1 1 8 ARG HD3 H -7.456 -8.888 8.818 1.00 . A A . 8 ARG HD3 1 1 10 2488 1 1 8 ARG HE H -4.936 -7.826 8.065 1.00 . A A . 8 ARG HE 1 1 10 2489 1 1 8 ARG HG2 H -6.830 -8.752 5.823 1.00 . A A . 8 ARG HG2 1 1 10 2490 1 1 8 ARG HG3 H -7.645 -9.984 6.711 1.00 . A A . 8 ARG HG3 1 1 10 2491 1 1 8 ARG HH11 H -7.795 -6.483 9.529 1.00 . A A . 8 ARG HH11 1 1 10 2492 1 1 8 ARG HH12 H -6.813 -5.398 10.625 1.00 . A A . 8 ARG HH12 1 1 10 2493 1 1 8 ARG HH21 H -3.852 -6.601 9.357 1.00 . A A . 8 ARG HH21 1 1 10 2494 1 1 8 ARG HH22 H -4.690 -5.475 10.512 1.00 . A A . 8 ARG HH22 1 1 10 2495 1 1 8 ARG N N -4.248 -8.282 5.729 1.00 . A A . 8 ARG N 1 1 10 2496 1 1 8 ARG NE N -5.863 -7.538 8.394 1.00 . A A . 8 ARG NE 1 1 10 2497 1 1 8 ARG NH1 N -6.920 -6.109 9.900 1.00 . A A . 8 ARG NH1 1 1 10 2498 1 1 8 ARG NH2 N -4.686 -6.175 9.767 1.00 . A A . 8 ARG NH2 1 1 10 2499 1 1 8 ARG O O -4.795 -10.333 3.644 1.00 . A A . 8 ARG O 1 1 10 2500 1 1 9 LYS C C -4.380 -13.645 3.469 1.00 . A A . 9 LYS C 1 1 10 2501 1 1 9 LYS CA C -3.177 -12.656 3.598 1.00 . A A . 9 LYS CA 1 1 10 2502 1 1 9 LYS CB C -1.794 -13.353 3.785 1.00 . A A . 9 LYS CB 1 1 10 2503 1 1 9 LYS CD C 0.779 -13.043 4.186 1.00 . A A . 9 LYS CD 1 1 10 2504 1 1 9 LYS CE C 1.427 -14.038 3.203 1.00 . A A . 9 LYS CE 1 1 10 2505 1 1 9 LYS CG C -0.550 -12.422 3.697 1.00 . A A . 9 LYS CG 1 1 10 2506 1 1 9 LYS H H -2.931 -11.870 5.646 1.00 . A A . 9 LYS H 1 1 10 2507 1 1 9 LYS HA H -3.132 -12.099 2.639 1.00 . A A . 9 LYS HA 1 1 10 2508 1 1 9 LYS HB2 H -1.797 -13.895 4.752 1.00 . A A . 9 LYS HB2 1 1 10 2509 1 1 9 LYS HB3 H -1.695 -14.149 3.023 1.00 . A A . 9 LYS HB3 1 1 10 2510 1 1 9 LYS HD2 H 1.482 -12.208 4.382 1.00 . A A . 9 LYS HD2 1 1 10 2511 1 1 9 LYS HD3 H 0.618 -13.511 5.178 1.00 . A A . 9 LYS HD3 1 1 10 2512 1 1 9 LYS HE2 H 0.736 -14.888 3.008 1.00 . A A . 9 LYS HE2 1 1 10 2513 1 1 9 LYS HE3 H 1.575 -13.552 2.213 1.00 . A A . 9 LYS HE3 1 1 10 2514 1 1 9 LYS HG2 H -0.445 -12.020 2.670 1.00 . A A . 9 LYS HG2 1 1 10 2515 1 1 9 LYS HG3 H -0.735 -11.520 4.315 1.00 . A A . 9 LYS HG3 1 1 10 2516 1 1 9 LYS HZ1 H 2.610 -15.001 4.662 1.00 . A A . 9 LYS HZ1 1 1 10 2517 1 1 9 LYS HZ2 H 3.219 -15.177 3.146 1.00 . A A . 9 LYS HZ2 1 1 10 2518 1 1 9 LYS HZ3 H 3.381 -13.750 3.943 1.00 . A A . 9 LYS HZ3 1 1 10 2519 1 1 9 LYS N N -3.383 -11.717 4.739 1.00 . A A . 9 LYS N 1 1 10 2520 1 1 9 LYS NZ N 2.722 -14.519 3.761 1.00 . A A . 9 LYS NZ 1 1 10 2521 1 1 9 LYS O O -4.352 -14.777 3.960 1.00 . A A . 9 LYS O 1 1 10 2522 1 1 10 VAL C C -7.483 -14.269 3.963 1.00 . A A . 10 VAL C 1 1 10 2523 1 1 10 VAL CA C -6.748 -13.850 2.633 1.00 . A A . 10 VAL CA 1 1 10 2524 1 1 10 VAL CB C -6.665 -14.810 1.384 1.00 . A A . 10 VAL CB 1 1 10 2525 1 1 10 VAL CG1 C -6.191 -16.254 1.657 1.00 . A A . 10 VAL CG1 1 1 10 2526 1 1 10 VAL CG2 C -7.962 -14.821 0.556 1.00 . A A . 10 VAL CG2 1 1 10 2527 1 1 10 VAL H H -5.345 -12.154 2.593 1.00 . A A . 10 VAL H 1 1 10 2528 1 1 10 VAL HA H -7.402 -13.021 2.304 1.00 . A A . 10 VAL HA 1 1 10 2529 1 1 10 VAL HB H -5.917 -14.390 0.686 1.00 . A A . 10 VAL HB 1 1 10 2530 1 1 10 VAL HG11 H -6.077 -16.830 0.720 1.00 . A A . 10 VAL HG11 1 1 10 2531 1 1 10 VAL HG12 H -5.203 -16.267 2.150 1.00 . A A . 10 VAL HG12 1 1 10 2532 1 1 10 VAL HG13 H -6.882 -16.823 2.303 1.00 . A A . 10 VAL HG13 1 1 10 2533 1 1 10 VAL HG21 H -8.245 -13.797 0.250 1.00 . A A . 10 VAL HG21 1 1 10 2534 1 1 10 VAL HG22 H -7.832 -15.399 -0.377 1.00 . A A . 10 VAL HG22 1 1 10 2535 1 1 10 VAL HG23 H -8.816 -15.254 1.103 1.00 . A A . 10 VAL HG23 1 1 10 2536 1 1 10 VAL N N -5.444 -13.152 2.808 1.00 . A A . 10 VAL N 1 1 10 2537 1 1 10 VAL O O -7.256 -13.682 5.027 1.00 . A A . 10 VAL O 1 1 10 2538 1 1 11 ARG C C -9.133 -17.340 4.980 1.00 . A A . 11 ARG C 1 1 10 2539 1 1 11 ARG CA C -9.119 -15.784 5.086 1.00 . A A . 11 ARG CA 1 1 10 2540 1 1 11 ARG CB C -10.554 -15.189 5.224 1.00 . A A . 11 ARG CB 1 1 10 2541 1 1 11 ARG CD C -10.180 -13.260 6.985 1.00 . A A . 11 ARG CD 1 1 10 2542 1 1 11 ARG CG C -10.676 -13.682 5.581 1.00 . A A . 11 ARG CG 1 1 10 2543 1 1 11 ARG CZ C -12.089 -13.144 8.626 1.00 . A A . 11 ARG CZ 1 1 10 2544 1 1 11 ARG H H -8.470 -15.654 2.961 1.00 . A A . 11 ARG H 1 1 10 2545 1 1 11 ARG HA H -8.565 -15.534 6.014 1.00 . A A . 11 ARG HA 1 1 10 2546 1 1 11 ARG HB2 H -11.105 -15.374 4.280 1.00 . A A . 11 ARG HB2 1 1 10 2547 1 1 11 ARG HB3 H -11.119 -15.770 5.978 1.00 . A A . 11 ARG HB3 1 1 10 2548 1 1 11 ARG HD2 H -9.139 -13.613 7.128 1.00 . A A . 11 ARG HD2 1 1 10 2549 1 1 11 ARG HD3 H -10.070 -12.157 7.030 1.00 . A A . 11 ARG HD3 1 1 10 2550 1 1 11 ARG HE H -10.813 -14.662 8.556 1.00 . A A . 11 ARG HE 1 1 10 2551 1 1 11 ARG HG2 H -10.125 -13.096 4.819 1.00 . A A . 11 ARG HG2 1 1 10 2552 1 1 11 ARG HG3 H -11.730 -13.369 5.452 1.00 . A A . 11 ARG HG3 1 1 10 2553 1 1 11 ARG HH11 H -12.065 -11.655 7.350 1.00 . A A . 11 ARG HH11 1 1 10 2554 1 1 11 ARG HH12 H -13.377 -11.598 8.626 1.00 . A A . 11 ARG HH12 1 1 10 2555 1 1 11 ARG HH21 H -12.303 -14.571 9.992 1.00 . A A . 11 ARG HH21 1 1 10 2556 1 1 11 ARG HH22 H -13.487 -13.191 10.039 1.00 . A A . 11 ARG HH22 1 1 10 2557 1 1 11 ARG N N -8.422 -15.224 3.892 1.00 . A A . 11 ARG N 1 1 10 2558 1 1 11 ARG NE N -11.037 -13.773 8.098 1.00 . A A . 11 ARG NE 1 1 10 2559 1 1 11 ARG NH1 N -12.560 -12.009 8.171 1.00 . A A . 11 ARG NH1 1 1 10 2560 1 1 11 ARG NH2 N -12.685 -13.689 9.647 1.00 . A A . 11 ARG NH2 1 1 10 2561 1 1 11 ARG O O -10.007 -17.958 4.377 1.00 . A A . 11 ARG O 1 1 10 2562 1 1 12 NH2 HN1 H -8.243 -19.049 5.361 1.00 . A A . 12 NH2 HN1 1 1 10 2563 1 1 12 NH2 HN2 H -7.363 -17.532 5.913 1.00 . A A . 12 NH2 HN2 1 1 10 2564 1 1 12 NH2 N N -8.170 -18.044 5.544 1.00 . A A . 12 NH2 N 1 1 10 2565 2 2 1 DAO C1 C -0.958 1.118 -0.457 1.00 . B A . 13 DAO C1 1 1 10 2566 2 2 1 DAO C10 C -7.398 8.147 -1.193 1.00 . B A . 13 DAO C10 1 1 10 2567 2 2 1 DAO C11 C -6.805 9.050 -0.091 1.00 . B A . 13 DAO C11 1 1 10 2568 2 2 1 DAO C12 C -7.784 9.376 1.048 1.00 . B A . 13 DAO C12 1 1 10 2569 2 2 1 DAO C2 C -1.999 0.635 0.548 1.00 . B A . 13 DAO C2 1 1 10 2570 2 2 1 DAO C3 C -3.403 1.255 0.483 1.00 . B A . 13 DAO C3 1 1 10 2571 2 2 1 DAO C4 C -3.432 2.718 0.954 1.00 . B A . 13 DAO C4 1 1 10 2572 2 2 1 DAO C5 C -4.826 3.360 0.828 1.00 . B A . 13 DAO C5 1 1 10 2573 2 2 1 DAO C6 C -4.813 4.860 1.192 1.00 . B A . 13 DAO C6 1 1 10 2574 2 2 1 DAO C7 C -6.145 5.602 0.948 1.00 . B A . 13 DAO C7 1 1 10 2575 2 2 1 DAO C8 C -6.515 5.765 -0.545 1.00 . B A . 13 DAO C8 1 1 10 2576 2 2 1 DAO C9 C -7.730 6.684 -0.813 1.00 . B A . 13 DAO C9 1 1 10 2577 2 2 1 DAO H101 H -6.704 8.140 -2.055 1.00 . B A . 13 DAO H101 1 1 10 2578 2 2 1 DAO H102 H -8.314 8.628 -1.587 1.00 . B A . 13 DAO H102 1 1 10 2579 2 2 1 DAO H111 H -5.880 8.600 0.315 1.00 . B A . 13 DAO H111 1 1 10 2580 2 2 1 DAO H112 H -6.475 10.000 -0.552 1.00 . B A . 13 DAO H112 1 1 10 2581 2 2 1 DAO H121 H -8.701 9.865 0.671 1.00 . B A . 13 DAO H121 1 1 10 2582 2 2 1 DAO H122 H -8.094 8.468 1.598 1.00 . B A . 13 DAO H122 1 1 10 2583 2 2 1 DAO H123 H -7.328 10.062 1.785 1.00 . B A . 13 DAO H123 1 1 10 2584 2 2 1 DAO H21 H -2.095 -0.451 0.410 1.00 . B A . 13 DAO H21 1 1 10 2585 2 2 1 DAO H22 H -1.586 0.761 1.563 1.00 . B A . 13 DAO H22 1 1 10 2586 2 2 1 DAO H31 H -3.788 1.157 -0.550 1.00 . B A . 13 DAO H31 1 1 10 2587 2 2 1 DAO H32 H -4.076 0.641 1.112 1.00 . B A . 13 DAO H32 1 1 10 2588 2 2 1 DAO H41 H -3.073 2.755 1.999 1.00 . B A . 13 DAO H41 1 1 10 2589 2 2 1 DAO H42 H -2.702 3.306 0.364 1.00 . B A . 13 DAO H42 1 1 10 2590 2 2 1 DAO H51 H -5.555 2.822 1.464 1.00 . B A . 13 DAO H51 1 1 10 2591 2 2 1 DAO H52 H -5.183 3.231 -0.212 1.00 . B A . 13 DAO H52 1 1 10 2592 2 2 1 DAO H61 H -4.536 4.966 2.259 1.00 . B A . 13 DAO H61 1 1 10 2593 2 2 1 DAO H62 H -4.006 5.378 0.638 1.00 . B A . 13 DAO H62 1 1 10 2594 2 2 1 DAO H71 H -6.967 5.095 1.489 1.00 . B A . 13 DAO H71 1 1 10 2595 2 2 1 DAO H72 H -6.073 6.600 1.418 1.00 . B A . 13 DAO H72 1 1 10 2596 2 2 1 DAO H81 H -5.638 6.115 -1.124 1.00 . B A . 13 DAO H81 1 1 10 2597 2 2 1 DAO H82 H -6.737 4.763 -0.958 1.00 . B A . 13 DAO H82 1 1 10 2598 2 2 1 DAO H91 H -8.448 6.651 0.029 1.00 . B A . 13 DAO H91 1 1 10 2599 2 2 1 DAO H92 H -8.294 6.252 -1.662 1.00 . B A . 13 DAO H92 1 1 10 2600 2 2 1 DAO O1 O -1.250 1.571 -1.563 1.00 . B A . 13 DAO O1 1 1 11 2601 1 1 1 PHE C C 1.917 0.984 -1.714 1.00 . A A . 1 PHE C 1 1 11 2602 1 1 1 PHE CA C 1.196 2.025 -0.811 1.00 . A A . 1 PHE CA 1 1 11 2603 1 1 1 PHE CB C 2.180 2.994 -0.075 1.00 . A A . 1 PHE CB 1 1 11 2604 1 1 1 PHE CD1 C 0.649 4.877 0.723 1.00 . A A . 1 PHE CD1 1 1 11 2605 1 1 1 PHE CD2 C 1.804 3.542 2.373 1.00 . A A . 1 PHE CD2 1 1 11 2606 1 1 1 PHE CE1 C -0.037 5.534 1.740 1.00 . A A . 1 PHE CE1 1 1 11 2607 1 1 1 PHE CE2 C 1.119 4.201 3.388 1.00 . A A . 1 PHE CE2 1 1 11 2608 1 1 1 PHE CG C 1.569 3.871 1.034 1.00 . A A . 1 PHE CG 1 1 11 2609 1 1 1 PHE CZ C 0.197 5.198 3.072 1.00 . A A . 1 PHE CZ 1 1 11 2610 1 1 1 PHE H1 H 0.376 1.757 1.072 1.00 . A A . 1 PHE H1 1 1 11 2611 1 1 1 PHE HA H 0.594 2.659 -1.490 1.00 . A A . 1 PHE HA 1 1 11 2612 1 1 1 PHE HB2 H 3.031 2.421 0.341 1.00 . A A . 1 PHE HB2 1 1 11 2613 1 1 1 PHE HB3 H 2.657 3.650 -0.826 1.00 . A A . 1 PHE HB3 1 1 11 2614 1 1 1 PHE HD1 H 0.427 5.117 -0.307 1.00 . A A . 1 PHE HD1 1 1 11 2615 1 1 1 PHE HD2 H 2.487 2.746 2.633 1.00 . A A . 1 PHE HD2 1 1 11 2616 1 1 1 PHE HE1 H -0.769 6.284 1.484 1.00 . A A . 1 PHE HE1 1 1 11 2617 1 1 1 PHE HE2 H 1.295 3.913 4.414 1.00 . A A . 1 PHE HE2 1 1 11 2618 1 1 1 PHE HZ H -0.347 5.699 3.860 1.00 . A A . 1 PHE HZ 1 1 11 2619 1 1 1 PHE N N 0.283 1.320 0.149 1.00 . A A . 1 PHE N 1 1 11 2620 1 1 1 PHE O O 1.763 0.998 -2.936 1.00 . A A . 1 PHE O 1 1 11 2621 1 1 2 GLN C C 2.112 -2.298 -2.153 1.00 . A A . 2 GLN C 1 1 11 2622 1 1 2 GLN CA C 3.161 -1.186 -1.770 1.00 . A A . 2 GLN CA 1 1 11 2623 1 1 2 GLN CB C 4.344 -1.744 -0.925 1.00 . A A . 2 GLN CB 1 1 11 2624 1 1 2 GLN CD C 5.234 -2.734 1.307 1.00 . A A . 2 GLN CD 1 1 11 2625 1 1 2 GLN CG C 4.013 -2.311 0.486 1.00 . A A . 2 GLN CG 1 1 11 2626 1 1 2 GLN H H 2.695 0.201 -0.079 1.00 . A A . 2 GLN H 1 1 11 2627 1 1 2 GLN HA H 3.599 -0.879 -2.741 1.00 . A A . 2 GLN HA 1 1 11 2628 1 1 2 GLN HB2 H 4.849 -2.533 -1.514 1.00 . A A . 2 GLN HB2 1 1 11 2629 1 1 2 GLN HB3 H 5.113 -0.951 -0.825 1.00 . A A . 2 GLN HB3 1 1 11 2630 1 1 2 GLN HE21 H 5.230 -4.560 0.504 1.00 . A A . 2 GLN HE21 1 1 11 2631 1 1 2 GLN HE22 H 6.504 -4.154 1.771 1.00 . A A . 2 GLN HE22 1 1 11 2632 1 1 2 GLN HG2 H 3.491 -1.540 1.080 1.00 . A A . 2 GLN HG2 1 1 11 2633 1 1 2 GLN HG3 H 3.296 -3.150 0.409 1.00 . A A . 2 GLN HG3 1 1 11 2634 1 1 2 GLN N N 2.666 0.053 -1.096 1.00 . A A . 2 GLN N 1 1 11 2635 1 1 2 GLN NE2 N 5.663 -3.970 1.218 1.00 . A A . 2 GLN NE2 1 1 11 2636 1 1 2 GLN O O 2.468 -3.213 -2.900 1.00 . A A . 2 GLN O 1 1 11 2637 1 1 2 GLN OE1 O 5.813 -1.952 2.052 1.00 . A A . 2 GLN OE1 1 1 11 2638 1 1 3 TRP C C -1.551 -2.567 -2.388 1.00 . A A . 3 TRP C 1 1 11 2639 1 1 3 TRP CA C -0.202 -3.247 -1.959 1.00 . A A . 3 TRP CA 1 1 11 2640 1 1 3 TRP CB C -0.314 -4.217 -0.738 1.00 . A A . 3 TRP CB 1 1 11 2641 1 1 3 TRP CD1 C -2.377 -4.236 0.838 1.00 . A A . 3 TRP CD1 1 1 11 2642 1 1 3 TRP CD2 C -0.821 -2.780 1.463 1.00 . A A . 3 TRP CD2 1 1 11 2643 1 1 3 TRP CE2 C -1.938 -2.694 2.332 1.00 . A A . 3 TRP CE2 1 1 11 2644 1 1 3 TRP CE3 C 0.324 -1.976 1.698 1.00 . A A . 3 TRP CE3 1 1 11 2645 1 1 3 TRP CG C -1.104 -3.740 0.501 1.00 . A A . 3 TRP CG 1 1 11 2646 1 1 3 TRP CH2 C -0.772 -1.050 3.665 1.00 . A A . 3 TRP CH2 1 1 11 2647 1 1 3 TRP CZ2 C -1.913 -1.821 3.441 1.00 . A A . 3 TRP CZ2 1 1 11 2648 1 1 3 TRP CZ3 C 0.330 -1.128 2.807 1.00 . A A . 3 TRP CZ3 1 1 11 2649 1 1 3 TRP H H 0.636 -1.416 -1.105 1.00 . A A . 3 TRP H 1 1 11 2650 1 1 3 TRP HA H 0.111 -3.858 -2.829 1.00 . A A . 3 TRP HA 1 1 11 2651 1 1 3 TRP HB2 H -0.785 -5.150 -1.101 1.00 . A A . 3 TRP HB2 1 1 11 2652 1 1 3 TRP HB3 H 0.686 -4.558 -0.441 1.00 . A A . 3 TRP HB3 1 1 11 2653 1 1 3 TRP HD1 H -2.864 -5.031 0.298 1.00 . A A . 3 TRP HD1 1 1 11 2654 1 1 3 TRP HE1 H -3.793 -3.797 2.453 1.00 . A A . 3 TRP HE1 1 1 11 2655 1 1 3 TRP HE3 H 1.171 -2.017 1.038 1.00 . A A . 3 TRP HE3 1 1 11 2656 1 1 3 TRP HH2 H -0.736 -0.388 4.519 1.00 . A A . 3 TRP HH2 1 1 11 2657 1 1 3 TRP HZ2 H -2.753 -1.777 4.115 1.00 . A A . 3 TRP HZ2 1 1 11 2658 1 1 3 TRP HZ3 H 1.200 -0.524 3.018 1.00 . A A . 3 TRP HZ3 1 1 11 2659 1 1 3 TRP N N 0.860 -2.252 -1.654 1.00 . A A . 3 TRP N 1 1 11 2660 1 1 3 TRP NE1 N -2.923 -3.585 1.955 1.00 . A A . 3 TRP NE1 1 1 11 2661 1 1 3 TRP O O -1.686 -1.341 -2.449 1.00 . A A . 3 TRP O 1 1 11 2662 1 1 4 GLN C C -4.664 -2.470 -1.471 1.00 . A A . 4 GLN C 1 1 11 2663 1 1 4 GLN CA C -3.983 -2.947 -2.809 1.00 . A A . 4 GLN CA 1 1 11 2664 1 1 4 GLN CB C -4.669 -4.120 -3.589 1.00 . A A . 4 GLN CB 1 1 11 2665 1 1 4 GLN CD C -5.565 -2.954 -5.748 1.00 . A A . 4 GLN CD 1 1 11 2666 1 1 4 GLN CG C -4.608 -3.987 -5.126 1.00 . A A . 4 GLN CG 1 1 11 2667 1 1 4 GLN H H -2.319 -4.389 -2.699 1.00 . A A . 4 GLN H 1 1 11 2668 1 1 4 GLN HA H -3.992 -2.044 -3.452 1.00 . A A . 4 GLN HA 1 1 11 2669 1 1 4 GLN HB2 H -4.265 -5.108 -3.286 1.00 . A A . 4 GLN HB2 1 1 11 2670 1 1 4 GLN HB3 H -5.734 -4.215 -3.319 1.00 . A A . 4 GLN HB3 1 1 11 2671 1 1 4 GLN HE21 H -7.146 -3.739 -4.814 1.00 . A A . 4 GLN HE21 1 1 11 2672 1 1 4 GLN HE22 H -7.384 -2.223 -5.820 1.00 . A A . 4 GLN HE22 1 1 11 2673 1 1 4 GLN HG2 H -3.576 -3.741 -5.439 1.00 . A A . 4 GLN HG2 1 1 11 2674 1 1 4 GLN HG3 H -4.794 -4.981 -5.558 1.00 . A A . 4 GLN HG3 1 1 11 2675 1 1 4 GLN N N -2.576 -3.399 -2.631 1.00 . A A . 4 GLN N 1 1 11 2676 1 1 4 GLN NE2 N -6.856 -3.040 -5.504 1.00 . A A . 4 GLN NE2 1 1 11 2677 1 1 4 GLN O O -4.232 -1.486 -0.871 1.00 . A A . 4 GLN O 1 1 11 2678 1 1 4 GLN OE1 O -5.155 -2.034 -6.445 1.00 . A A . 4 GLN OE1 1 1 11 2679 1 1 5 ARG C C -6.919 -4.107 0.961 1.00 . A A . 5 ARG C 1 1 11 2680 1 1 5 ARG CA C -6.449 -2.782 0.259 1.00 . A A . 5 ARG CA 1 1 11 2681 1 1 5 ARG CB C -7.515 -1.688 -0.056 1.00 . A A . 5 ARG CB 1 1 11 2682 1 1 5 ARG CD C -9.212 -0.066 1.118 1.00 . A A . 5 ARG CD 1 1 11 2683 1 1 5 ARG CG C -8.597 -1.475 1.027 1.00 . A A . 5 ARG CG 1 1 11 2684 1 1 5 ARG CZ C -8.800 1.909 2.615 1.00 . A A . 5 ARG CZ 1 1 11 2685 1 1 5 ARG H H -5.901 -4.000 -1.519 1.00 . A A . 5 ARG H 1 1 11 2686 1 1 5 ARG HA H -5.736 -2.312 0.970 1.00 . A A . 5 ARG HA 1 1 11 2687 1 1 5 ARG HB2 H -6.975 -0.739 -0.248 1.00 . A A . 5 ARG HB2 1 1 11 2688 1 1 5 ARG HB3 H -8.027 -1.909 -1.014 1.00 . A A . 5 ARG HB3 1 1 11 2689 1 1 5 ARG HD2 H -9.310 0.390 0.110 1.00 . A A . 5 ARG HD2 1 1 11 2690 1 1 5 ARG HD3 H -10.246 -0.167 1.509 1.00 . A A . 5 ARG HD3 1 1 11 2691 1 1 5 ARG HE H -7.455 0.475 2.304 1.00 . A A . 5 ARG HE 1 1 11 2692 1 1 5 ARG HG2 H -9.397 -2.208 0.800 1.00 . A A . 5 ARG HG2 1 1 11 2693 1 1 5 ARG HG3 H -8.218 -1.807 2.014 1.00 . A A . 5 ARG HG3 1 1 11 2694 1 1 5 ARG HH11 H -10.504 2.012 1.644 1.00 . A A . 5 ARG HH11 1 1 11 2695 1 1 5 ARG HH12 H -10.188 3.344 2.856 1.00 . A A . 5 ARG HH12 1 1 11 2696 1 1 5 ARG HH21 H -7.126 2.006 3.680 1.00 . A A . 5 ARG HH21 1 1 11 2697 1 1 5 ARG HH22 H -8.353 3.324 3.938 1.00 . A A . 5 ARG HH22 1 1 11 2698 1 1 5 ARG N N -5.744 -3.120 -1.014 1.00 . A A . 5 ARG N 1 1 11 2699 1 1 5 ARG NE N -8.388 0.786 2.022 1.00 . A A . 5 ARG NE 1 1 11 2700 1 1 5 ARG NH1 N -9.949 2.484 2.360 1.00 . A A . 5 ARG NH1 1 1 11 2701 1 1 5 ARG NH2 N -8.018 2.467 3.494 1.00 . A A . 5 ARG NH2 1 1 11 2702 1 1 5 ARG O O -8.105 -4.406 1.126 1.00 . A A . 5 ARG O 1 1 11 2703 1 1 6 ASN C C -4.762 -6.848 2.379 1.00 . A A . 6 ASN C 1 1 11 2704 1 1 6 ASN CA C -6.107 -6.327 1.764 1.00 . A A . 6 ASN CA 1 1 11 2705 1 1 6 ASN CB C -6.651 -7.197 0.582 1.00 . A A . 6 ASN CB 1 1 11 2706 1 1 6 ASN CG C -6.015 -7.087 -0.821 1.00 . A A . 6 ASN CG 1 1 11 2707 1 1 6 ASN H H -5.091 -4.689 0.816 1.00 . A A . 6 ASN H 1 1 11 2708 1 1 6 ASN HA H -6.863 -6.372 2.573 1.00 . A A . 6 ASN HA 1 1 11 2709 1 1 6 ASN HB2 H -6.577 -8.247 0.888 1.00 . A A . 6 ASN HB2 1 1 11 2710 1 1 6 ASN HB3 H -7.733 -6.992 0.482 1.00 . A A . 6 ASN HB3 1 1 11 2711 1 1 6 ASN HD21 H -7.506 -8.176 -1.615 1.00 . A A . 6 ASN HD21 1 1 11 2712 1 1 6 ASN HD22 H -6.146 -7.607 -2.713 1.00 . A A . 6 ASN HD22 1 1 11 2713 1 1 6 ASN N N -5.927 -4.913 1.357 1.00 . A A . 6 ASN N 1 1 11 2714 1 1 6 ASN ND2 N -6.622 -7.698 -1.811 1.00 . A A . 6 ASN ND2 1 1 11 2715 1 1 6 ASN O O -4.051 -7.648 1.766 1.00 . A A . 6 ASN O 1 1 11 2716 1 1 6 ASN OD1 O -5.004 -6.434 -1.062 1.00 . A A . 6 ASN OD1 1 1 11 2717 1 1 7 ILE C C -3.169 -8.181 4.930 1.00 . A A . 7 ILE C 1 1 11 2718 1 1 7 ILE CA C -3.099 -6.767 4.261 1.00 . A A . 7 ILE CA 1 1 11 2719 1 1 7 ILE CB C -2.487 -5.711 5.277 1.00 . A A . 7 ILE CB 1 1 11 2720 1 1 7 ILE CD1 C -2.780 -3.479 6.644 1.00 . A A . 7 ILE CD1 1 1 11 2721 1 1 7 ILE CG1 C -3.331 -4.438 5.571 1.00 . A A . 7 ILE CG1 1 1 11 2722 1 1 7 ILE CG2 C -1.033 -5.382 4.867 1.00 . A A . 7 ILE CG2 1 1 11 2723 1 1 7 ILE H H -5.081 -5.766 4.043 1.00 . A A . 7 ILE H 1 1 11 2724 1 1 7 ILE HA H -2.375 -6.854 3.425 1.00 . A A . 7 ILE HA 1 1 11 2725 1 1 7 ILE HB H -2.384 -6.192 6.271 1.00 . A A . 7 ILE HB 1 1 11 2726 1 1 7 ILE HD11 H -3.485 -2.651 6.844 1.00 . A A . 7 ILE HD11 1 1 11 2727 1 1 7 ILE HD12 H -2.587 -3.992 7.603 1.00 . A A . 7 ILE HD12 1 1 11 2728 1 1 7 ILE HD13 H -1.830 -3.009 6.326 1.00 . A A . 7 ILE HD13 1 1 11 2729 1 1 7 ILE HG12 H -3.491 -3.884 4.632 1.00 . A A . 7 ILE HG12 1 1 11 2730 1 1 7 ILE HG13 H -4.341 -4.751 5.888 1.00 . A A . 7 ILE HG13 1 1 11 2731 1 1 7 ILE HG21 H -0.519 -4.754 5.615 1.00 . A A . 7 ILE HG21 1 1 11 2732 1 1 7 ILE HG22 H -0.427 -6.301 4.761 1.00 . A A . 7 ILE HG22 1 1 11 2733 1 1 7 ILE HG23 H -0.991 -4.850 3.900 1.00 . A A . 7 ILE HG23 1 1 11 2734 1 1 7 ILE N N -4.402 -6.391 3.599 1.00 . A A . 7 ILE N 1 1 11 2735 1 1 7 ILE O O -2.375 -9.078 4.642 1.00 . A A . 7 ILE O 1 1 11 2736 1 1 8 ARG C C -4.828 -10.775 5.487 1.00 . A A . 8 ARG C 1 1 11 2737 1 1 8 ARG CA C -4.537 -9.608 6.496 1.00 . A A . 8 ARG CA 1 1 11 2738 1 1 8 ARG CB C -5.705 -9.394 7.509 1.00 . A A . 8 ARG CB 1 1 11 2739 1 1 8 ARG CD C -6.408 -6.847 7.764 1.00 . A A . 8 ARG CD 1 1 11 2740 1 1 8 ARG CG C -6.763 -8.271 7.272 1.00 . A A . 8 ARG CG 1 1 11 2741 1 1 8 ARG CZ C -6.786 -6.495 10.234 1.00 . A A . 8 ARG CZ 1 1 11 2742 1 1 8 ARG H H -4.665 -7.463 5.961 1.00 . A A . 8 ARG H 1 1 11 2743 1 1 8 ARG HA H -3.689 -9.884 7.149 1.00 . A A . 8 ARG HA 1 1 11 2744 1 1 8 ARG HB2 H -6.247 -10.352 7.628 1.00 . A A . 8 ARG HB2 1 1 11 2745 1 1 8 ARG HB3 H -5.266 -9.269 8.516 1.00 . A A . 8 ARG HB3 1 1 11 2746 1 1 8 ARG HD2 H -5.569 -6.437 7.172 1.00 . A A . 8 ARG HD2 1 1 11 2747 1 1 8 ARG HD3 H -7.238 -6.149 7.534 1.00 . A A . 8 ARG HD3 1 1 11 2748 1 1 8 ARG HE H -5.104 -7.243 9.461 1.00 . A A . 8 ARG HE 1 1 11 2749 1 1 8 ARG HG2 H -7.007 -8.234 6.191 1.00 . A A . 8 ARG HG2 1 1 11 2750 1 1 8 ARG HG3 H -7.704 -8.569 7.765 1.00 . A A . 8 ARG HG3 1 1 11 2751 1 1 8 ARG HH11 H -8.317 -5.912 9.146 1.00 . A A . 8 ARG HH11 1 1 11 2752 1 1 8 ARG HH12 H -8.517 -5.777 10.958 1.00 . A A . 8 ARG HH12 1 1 11 2753 1 1 8 ARG HH21 H -5.356 -6.999 11.521 1.00 . A A . 8 ARG HH21 1 1 11 2754 1 1 8 ARG HH22 H -6.917 -6.378 12.215 1.00 . A A . 8 ARG HH22 1 1 11 2755 1 1 8 ARG N N -4.144 -8.333 5.843 1.00 . A A . 8 ARG N 1 1 11 2756 1 1 8 ARG NE N -6.011 -6.836 9.201 1.00 . A A . 8 ARG NE 1 1 11 2757 1 1 8 ARG NH1 N -8.001 -6.023 10.110 1.00 . A A . 8 ARG NH1 1 1 11 2758 1 1 8 ARG NH2 N -6.310 -6.643 11.437 1.00 . A A . 8 ARG NH2 1 1 11 2759 1 1 8 ARG O O -5.858 -10.795 4.799 1.00 . A A . 8 ARG O 1 1 11 2760 1 1 9 LYS C C -4.762 -13.830 4.185 1.00 . A A . 9 LYS C 1 1 11 2761 1 1 9 LYS CA C -3.722 -12.668 4.271 1.00 . A A . 9 LYS CA 1 1 11 2762 1 1 9 LYS CB C -2.223 -13.102 4.232 1.00 . A A . 9 LYS CB 1 1 11 2763 1 1 9 LYS CD C -0.120 -13.858 5.536 1.00 . A A . 9 LYS CD 1 1 11 2764 1 1 9 LYS CE C 0.406 -14.424 6.869 1.00 . A A . 9 LYS CE 1 1 11 2765 1 1 9 LYS CG C -1.662 -13.872 5.463 1.00 . A A . 9 LYS CG 1 1 11 2766 1 1 9 LYS H H -3.045 -11.475 5.962 1.00 . A A . 9 LYS H 1 1 11 2767 1 1 9 LYS HA H -3.883 -12.080 3.344 1.00 . A A . 9 LYS HA 1 1 11 2768 1 1 9 LYS HB2 H -2.050 -13.710 3.323 1.00 . A A . 9 LYS HB2 1 1 11 2769 1 1 9 LYS HB3 H -1.618 -12.189 4.058 1.00 . A A . 9 LYS HB3 1 1 11 2770 1 1 9 LYS HD2 H 0.291 -14.426 4.676 1.00 . A A . 9 LYS HD2 1 1 11 2771 1 1 9 LYS HD3 H 0.239 -12.817 5.402 1.00 . A A . 9 LYS HD3 1 1 11 2772 1 1 9 LYS HE2 H -0.046 -13.869 7.723 1.00 . A A . 9 LYS HE2 1 1 11 2773 1 1 9 LYS HE3 H 0.064 -15.475 7.001 1.00 . A A . 9 LYS HE3 1 1 11 2774 1 1 9 LYS HG2 H -2.075 -13.437 6.394 1.00 . A A . 9 LYS HG2 1 1 11 2775 1 1 9 LYS HG3 H -2.042 -14.914 5.450 1.00 . A A . 9 LYS HG3 1 1 11 2776 1 1 9 LYS HZ1 H 2.233 -13.372 6.788 1.00 . A A . 9 LYS HZ1 1 1 11 2777 1 1 9 LYS HZ2 H 2.295 -14.661 7.805 1.00 . A A . 9 LYS HZ2 1 1 11 2778 1 1 9 LYS HZ3 H 2.344 -14.888 6.177 1.00 . A A . 9 LYS HZ3 1 1 11 2779 1 1 9 LYS N N -3.875 -11.719 5.413 1.00 . A A . 9 LYS N 1 1 11 2780 1 1 9 LYS NZ N 1.891 -14.334 6.916 1.00 . A A . 9 LYS NZ 1 1 11 2781 1 1 9 LYS O O -4.527 -14.981 4.555 1.00 . A A . 9 LYS O 1 1 11 2782 1 1 10 VAL C C -8.037 -13.917 2.310 1.00 . A A . 10 VAL C 1 1 11 2783 1 1 10 VAL CA C -7.145 -14.308 3.553 1.00 . A A . 10 VAL CA 1 1 11 2784 1 1 10 VAL CB C -7.870 -14.331 4.961 1.00 . A A . 10 VAL CB 1 1 11 2785 1 1 10 VAL CG1 C -9.379 -14.018 4.977 1.00 . A A . 10 VAL CG1 1 1 11 2786 1 1 10 VAL CG2 C -7.659 -15.671 5.698 1.00 . A A . 10 VAL CG2 1 1 11 2787 1 1 10 VAL H H -5.994 -12.424 3.667 1.00 . A A . 10 VAL H 1 1 11 2788 1 1 10 VAL HA H -6.812 -15.338 3.310 1.00 . A A . 10 VAL HA 1 1 11 2789 1 1 10 VAL HB H -7.419 -13.557 5.614 1.00 . A A . 10 VAL HB 1 1 11 2790 1 1 10 VAL HG11 H -9.951 -14.772 4.405 1.00 . A A . 10 VAL HG11 1 1 11 2791 1 1 10 VAL HG12 H -9.782 -13.987 6.005 1.00 . A A . 10 VAL HG12 1 1 11 2792 1 1 10 VAL HG13 H -9.586 -13.036 4.514 1.00 . A A . 10 VAL HG13 1 1 11 2793 1 1 10 VAL HG21 H -6.585 -15.908 5.815 1.00 . A A . 10 VAL HG21 1 1 11 2794 1 1 10 VAL HG22 H -8.088 -15.660 6.718 1.00 . A A . 10 VAL HG22 1 1 11 2795 1 1 10 VAL HG23 H -8.121 -16.519 5.159 1.00 . A A . 10 VAL HG23 1 1 11 2796 1 1 10 VAL N N -5.928 -13.449 3.653 1.00 . A A . 10 VAL N 1 1 11 2797 1 1 10 VAL O O -8.661 -14.802 1.718 1.00 . A A . 10 VAL O 1 1 11 2798 1 1 11 ARG C C -8.601 -12.401 -0.552 1.00 . A A . 11 ARG C 1 1 11 2799 1 1 11 ARG CA C -9.112 -12.138 0.905 1.00 . A A . 11 ARG CA 1 1 11 2800 1 1 11 ARG CB C -9.409 -10.625 1.146 1.00 . A A . 11 ARG CB 1 1 11 2801 1 1 11 ARG CD C -9.155 -9.589 3.524 1.00 . A A . 11 ARG CD 1 1 11 2802 1 1 11 ARG CG C -10.098 -10.231 2.483 1.00 . A A . 11 ARG CG 1 1 11 2803 1 1 11 ARG CZ C -9.771 -10.043 5.922 1.00 . A A . 11 ARG CZ 1 1 11 2804 1 1 11 ARG H H -7.530 -11.986 2.439 1.00 . A A . 11 ARG H 1 1 11 2805 1 1 11 ARG HA H -10.076 -12.674 1.022 1.00 . A A . 11 ARG HA 1 1 11 2806 1 1 11 ARG HB2 H -8.489 -10.028 0.986 1.00 . A A . 11 ARG HB2 1 1 11 2807 1 1 11 ARG HB3 H -10.075 -10.290 0.326 1.00 . A A . 11 ARG HB3 1 1 11 2808 1 1 11 ARG HD2 H -8.240 -10.197 3.660 1.00 . A A . 11 ARG HD2 1 1 11 2809 1 1 11 ARG HD3 H -8.781 -8.617 3.141 1.00 . A A . 11 ARG HD3 1 1 11 2810 1 1 11 ARG HE H -10.737 -8.747 4.779 1.00 . A A . 11 ARG HE 1 1 11 2811 1 1 11 ARG HG2 H -10.922 -9.523 2.262 1.00 . A A . 11 ARG HG2 1 1 11 2812 1 1 11 ARG HG3 H -10.608 -11.117 2.913 1.00 . A A . 11 ARG HG3 1 1 11 2813 1 1 11 ARG HH11 H -8.089 -10.942 5.410 1.00 . A A . 11 ARG HH11 1 1 11 2814 1 1 11 ARG HH12 H -8.786 -11.387 7.040 1.00 . A A . 11 ARG HH12 1 1 11 2815 1 1 11 ARG HH21 H -11.437 -9.240 6.649 1.00 . A A . 11 ARG HH21 1 1 11 2816 1 1 11 ARG HH22 H -10.557 -10.425 7.711 1.00 . A A . 11 ARG HH22 1 1 11 2817 1 1 11 ARG N N -8.160 -12.619 1.945 1.00 . A A . 11 ARG N 1 1 11 2818 1 1 11 ARG NE N -9.914 -9.358 4.787 1.00 . A A . 11 ARG NE 1 1 11 2819 1 1 11 ARG NH1 N -8.786 -10.873 6.158 1.00 . A A . 11 ARG NH1 1 1 11 2820 1 1 11 ARG NH2 N -10.659 -9.869 6.859 1.00 . A A . 11 ARG NH2 1 1 11 2821 1 1 11 ARG O O -7.970 -11.569 -1.201 1.00 . A A . 11 ARG O 1 1 11 2822 1 1 12 NH2 HN1 H -8.422 -13.665 -2.043 1.00 . A A . 12 NH2 HN1 1 1 11 2823 1 1 12 NH2 HN2 H -9.152 -14.311 -0.484 1.00 . A A . 12 NH2 HN2 1 1 11 2824 1 1 12 NH2 N N -8.859 -13.561 -1.123 1.00 . A A . 12 NH2 N 1 1 11 2825 2 2 1 DAO C1 C -1.377 1.392 -0.307 1.00 . B A . 13 DAO C1 1 1 11 2826 2 2 1 DAO C10 C -8.653 7.512 -0.879 1.00 . B A . 13 DAO C10 1 1 11 2827 2 2 1 DAO C11 C -9.674 8.257 -1.764 1.00 . B A . 13 DAO C11 1 1 11 2828 2 2 1 DAO C12 C -11.058 7.595 -1.847 1.00 . B A . 13 DAO C12 1 1 11 2829 2 2 1 DAO C2 C -2.318 0.777 0.731 1.00 . B A . 13 DAO C2 1 1 11 2830 2 2 1 DAO C3 C -3.797 1.184 0.647 1.00 . B A . 13 DAO C3 1 1 11 2831 2 2 1 DAO C4 C -4.055 2.611 1.155 1.00 . B A . 13 DAO C4 1 1 11 2832 2 2 1 DAO C5 C -5.461 3.104 0.775 1.00 . B A . 13 DAO C5 1 1 11 2833 2 2 1 DAO C6 C -5.760 4.535 1.268 1.00 . B A . 13 DAO C6 1 1 11 2834 2 2 1 DAO C7 C -7.065 5.132 0.696 1.00 . B A . 13 DAO C7 1 1 11 2835 2 2 1 DAO C8 C -6.948 5.549 -0.788 1.00 . B A . 13 DAO C8 1 1 11 2836 2 2 1 DAO C9 C -8.230 6.128 -1.419 1.00 . B A . 13 DAO C9 1 1 11 2837 2 2 1 DAO H101 H -9.047 7.413 0.151 1.00 . B A . 13 DAO H101 1 1 11 2838 2 2 1 DAO H102 H -7.756 8.153 -0.782 1.00 . B A . 13 DAO H102 1 1 11 2839 2 2 1 DAO H111 H -9.797 9.286 -1.376 1.00 . B A . 13 DAO H111 1 1 11 2840 2 2 1 DAO H112 H -9.261 8.386 -2.783 1.00 . B A . 13 DAO H112 1 1 11 2841 2 2 1 DAO H121 H -11.750 8.194 -2.467 1.00 . B A . 13 DAO H121 1 1 11 2842 2 2 1 DAO H122 H -11.007 6.589 -2.305 1.00 . B A . 13 DAO H122 1 1 11 2843 2 2 1 DAO H123 H -11.523 7.484 -0.850 1.00 . B A . 13 DAO H123 1 1 11 2844 2 2 1 DAO H21 H -2.260 -0.314 0.609 1.00 . B A . 13 DAO H21 1 1 11 2845 2 2 1 DAO H22 H -1.922 0.973 1.744 1.00 . B A . 13 DAO H22 1 1 11 2846 2 2 1 DAO H31 H -4.134 1.066 -0.402 1.00 . B A . 13 DAO H31 1 1 11 2847 2 2 1 DAO H32 H -4.399 0.460 1.228 1.00 . B A . 13 DAO H32 1 1 11 2848 2 2 1 DAO H41 H -3.888 2.626 2.247 1.00 . B A . 13 DAO H41 1 1 11 2849 2 2 1 DAO H42 H -3.305 3.305 0.727 1.00 . B A . 13 DAO H42 1 1 11 2850 2 2 1 DAO H51 H -6.227 2.406 1.153 1.00 . B A . 13 DAO H51 1 1 11 2851 2 2 1 DAO H52 H -5.551 3.059 -0.327 1.00 . B A . 13 DAO H52 1 1 11 2852 2 2 1 DAO H61 H -5.811 4.532 2.373 1.00 . B A . 13 DAO H61 1 1 11 2853 2 2 1 DAO H62 H -4.913 5.208 1.027 1.00 . B A . 13 DAO H62 1 1 11 2854 2 2 1 DAO H71 H -7.903 4.423 0.830 1.00 . B A . 13 DAO H71 1 1 11 2855 2 2 1 DAO H72 H -7.337 6.022 1.296 1.00 . B A . 13 DAO H72 1 1 11 2856 2 2 1 DAO H81 H -6.118 6.272 -0.911 1.00 . B A . 13 DAO H81 1 1 11 2857 2 2 1 DAO H82 H -6.646 4.674 -1.392 1.00 . B A . 13 DAO H82 1 1 11 2858 2 2 1 DAO H91 H -9.063 5.408 -1.314 1.00 . B A . 13 DAO H91 1 1 11 2859 2 2 1 DAO H92 H -8.060 6.207 -2.511 1.00 . B A . 13 DAO H92 1 1 11 2860 2 2 1 DAO O1 O -1.775 1.905 -1.352 1.00 . B A . 13 DAO O1 1 1 12 2861 1 1 1 PHE C C 3.804 -0.712 0.444 1.00 . A A . 1 PHE C 1 1 12 2862 1 1 1 PHE CA C 4.505 -1.843 1.254 1.00 . A A . 1 PHE CA 1 1 12 2863 1 1 1 PHE CB C 5.668 -2.581 0.504 1.00 . A A . 1 PHE CB 1 1 12 2864 1 1 1 PHE CD1 C 6.718 -4.052 2.314 1.00 . A A . 1 PHE CD1 1 1 12 2865 1 1 1 PHE CD2 C 5.864 -5.106 0.315 1.00 . A A . 1 PHE CD2 1 1 12 2866 1 1 1 PHE CE1 C 7.029 -5.304 2.838 1.00 . A A . 1 PHE CE1 1 1 12 2867 1 1 1 PHE CE2 C 6.180 -6.356 0.838 1.00 . A A . 1 PHE CE2 1 1 12 2868 1 1 1 PHE CG C 6.128 -3.945 1.051 1.00 . A A . 1 PHE CG 1 1 12 2869 1 1 1 PHE CZ C 6.761 -6.456 2.100 1.00 . A A . 1 PHE CZ 1 1 12 2870 1 1 1 PHE H1 H 3.832 -3.714 1.863 1.00 . A A . 1 PHE H1 1 1 12 2871 1 1 1 PHE HA H 4.991 -1.348 2.117 1.00 . A A . 1 PHE HA 1 1 12 2872 1 1 1 PHE HB2 H 5.415 -2.697 -0.566 1.00 . A A . 1 PHE HB2 1 1 12 2873 1 1 1 PHE HB3 H 6.544 -1.907 0.479 1.00 . A A . 1 PHE HB3 1 1 12 2874 1 1 1 PHE HD1 H 6.906 -3.167 2.907 1.00 . A A . 1 PHE HD1 1 1 12 2875 1 1 1 PHE HD2 H 5.393 -5.048 -0.656 1.00 . A A . 1 PHE HD2 1 1 12 2876 1 1 1 PHE HE1 H 7.461 -5.376 3.824 1.00 . A A . 1 PHE HE1 1 1 12 2877 1 1 1 PHE HE2 H 5.956 -7.242 0.262 1.00 . A A . 1 PHE HE2 1 1 12 2878 1 1 1 PHE HZ H 6.996 -7.428 2.510 1.00 . A A . 1 PHE HZ 1 1 12 2879 1 1 1 PHE N N 3.452 -2.767 1.770 1.00 . A A . 1 PHE N 1 1 12 2880 1 1 1 PHE O O 3.631 0.397 0.952 1.00 . A A . 1 PHE O 1 1 12 2881 1 1 2 GLN C C 1.506 -0.743 -2.575 1.00 . A A . 2 GLN C 1 1 12 2882 1 1 2 GLN CA C 2.595 -0.054 -1.666 1.00 . A A . 2 GLN CA 1 1 12 2883 1 1 2 GLN CB C 3.535 0.811 -2.539 1.00 . A A . 2 GLN CB 1 1 12 2884 1 1 2 GLN CD C 5.414 2.601 -2.690 1.00 . A A . 2 GLN CD 1 1 12 2885 1 1 2 GLN CG C 4.577 1.677 -1.796 1.00 . A A . 2 GLN CG 1 1 12 2886 1 1 2 GLN H H 3.488 -2.005 -1.002 1.00 . A A . 2 GLN H 1 1 12 2887 1 1 2 GLN HA H 2.022 0.638 -1.017 1.00 . A A . 2 GLN HA 1 1 12 2888 1 1 2 GLN HB2 H 4.034 0.147 -3.265 1.00 . A A . 2 GLN HB2 1 1 12 2889 1 1 2 GLN HB3 H 2.886 1.486 -3.130 1.00 . A A . 2 GLN HB3 1 1 12 2890 1 1 2 GLN HE21 H 7.062 2.229 -1.618 1.00 . A A . 2 GLN HE21 1 1 12 2891 1 1 2 GLN HE22 H 7.179 3.380 -3.053 1.00 . A A . 2 GLN HE22 1 1 12 2892 1 1 2 GLN HG2 H 4.050 2.286 -1.040 1.00 . A A . 2 GLN HG2 1 1 12 2893 1 1 2 GLN HG3 H 5.231 0.996 -1.221 1.00 . A A . 2 GLN HG3 1 1 12 2894 1 1 2 GLN N N 3.389 -1.003 -0.804 1.00 . A A . 2 GLN N 1 1 12 2895 1 1 2 GLN NE2 N 6.693 2.730 -2.430 1.00 . A A . 2 GLN NE2 1 1 12 2896 1 1 2 GLN O O 1.174 -0.307 -3.681 1.00 . A A . 2 GLN O 1 1 12 2897 1 1 2 GLN OE1 O 4.935 3.239 -3.622 1.00 . A A . 2 GLN OE1 1 1 12 2898 1 1 3 TRP C C -1.644 -1.504 -2.536 1.00 . A A . 3 TRP C 1 1 12 2899 1 1 3 TRP CA C -0.355 -2.410 -2.532 1.00 . A A . 3 TRP CA 1 1 12 2900 1 1 3 TRP CB C -0.508 -3.690 -1.649 1.00 . A A . 3 TRP CB 1 1 12 2901 1 1 3 TRP CD1 C -1.986 -4.577 0.274 1.00 . A A . 3 TRP CD1 1 1 12 2902 1 1 3 TRP CD2 C -1.158 -2.548 0.732 1.00 . A A . 3 TRP CD2 1 1 12 2903 1 1 3 TRP CE2 C -2.082 -2.948 1.731 1.00 . A A . 3 TRP CE2 1 1 12 2904 1 1 3 TRP CE3 C -0.448 -1.308 0.885 1.00 . A A . 3 TRP CE3 1 1 12 2905 1 1 3 TRP CG C -1.136 -3.571 -0.234 1.00 . A A . 3 TRP CG 1 1 12 2906 1 1 3 TRP CH2 C -1.610 -0.950 2.995 1.00 . A A . 3 TRP CH2 1 1 12 2907 1 1 3 TRP CZ2 C -2.311 -2.145 2.861 1.00 . A A . 3 TRP CZ2 1 1 12 2908 1 1 3 TRP CZ3 C -0.691 -0.542 2.027 1.00 . A A . 3 TRP CZ3 1 1 12 2909 1 1 3 TRP H H 1.282 -1.964 -1.102 1.00 . A A . 3 TRP H 1 1 12 2910 1 1 3 TRP HA H -0.177 -2.734 -3.575 1.00 . A A . 3 TRP HA 1 1 12 2911 1 1 3 TRP HB2 H -1.144 -4.385 -2.230 1.00 . A A . 3 TRP HB2 1 1 12 2912 1 1 3 TRP HB3 H 0.439 -4.249 -1.599 1.00 . A A . 3 TRP HB3 1 1 12 2913 1 1 3 TRP HD1 H -2.102 -5.569 -0.144 1.00 . A A . 3 TRP HD1 1 1 12 2914 1 1 3 TRP HE1 H -3.039 -4.812 2.153 1.00 . A A . 3 TRP HE1 1 1 12 2915 1 1 3 TRP HE3 H 0.281 -0.929 0.176 1.00 . A A . 3 TRP HE3 1 1 12 2916 1 1 3 TRP HH2 H -1.767 -0.336 3.870 1.00 . A A . 3 TRP HH2 1 1 12 2917 1 1 3 TRP HZ2 H -3.005 -2.474 3.615 1.00 . A A . 3 TRP HZ2 1 1 12 2918 1 1 3 TRP HZ3 H -0.147 0.374 2.191 1.00 . A A . 3 TRP HZ3 1 1 12 2919 1 1 3 TRP N N 0.904 -1.801 -2.041 1.00 . A A . 3 TRP N 1 1 12 2920 1 1 3 TRP NE1 N -2.621 -4.184 1.456 1.00 . A A . 3 TRP NE1 1 1 12 2921 1 1 3 TRP O O -1.642 -0.349 -2.103 1.00 . A A . 3 TRP O 1 1 12 2922 1 1 4 GLN C C -4.639 -1.830 -1.231 1.00 . A A . 4 GLN C 1 1 12 2923 1 1 4 GLN CA C -4.132 -1.547 -2.689 1.00 . A A . 4 GLN CA 1 1 12 2924 1 1 4 GLN CB C -5.043 -2.048 -3.856 1.00 . A A . 4 GLN CB 1 1 12 2925 1 1 4 GLN CD C -6.318 -0.161 -5.163 1.00 . A A . 4 GLN CD 1 1 12 2926 1 1 4 GLN CG C -5.093 -1.089 -5.067 1.00 . A A . 4 GLN CG 1 1 12 2927 1 1 4 GLN H H -2.632 -3.014 -3.390 1.00 . A A . 4 GLN H 1 1 12 2928 1 1 4 GLN HA H -4.087 -0.439 -2.743 1.00 . A A . 4 GLN HA 1 1 12 2929 1 1 4 GLN HB2 H -4.742 -3.060 -4.197 1.00 . A A . 4 GLN HB2 1 1 12 2930 1 1 4 GLN HB3 H -6.084 -2.211 -3.513 1.00 . A A . 4 GLN HB3 1 1 12 2931 1 1 4 GLN HE21 H -6.224 0.313 -3.224 1.00 . A A . 4 GLN HE21 1 1 12 2932 1 1 4 GLN HE22 H -7.598 1.007 -4.230 1.00 . A A . 4 GLN HE22 1 1 12 2933 1 1 4 GLN HG2 H -4.173 -0.479 -5.134 1.00 . A A . 4 GLN HG2 1 1 12 2934 1 1 4 GLN HG3 H -5.059 -1.723 -5.968 1.00 . A A . 4 GLN HG3 1 1 12 2935 1 1 4 GLN N N -2.775 -2.101 -2.948 1.00 . A A . 4 GLN N 1 1 12 2936 1 1 4 GLN NE2 N -6.712 0.511 -4.101 1.00 . A A . 4 GLN NE2 1 1 12 2937 1 1 4 GLN O O -4.276 -1.102 -0.304 1.00 . A A . 4 GLN O 1 1 12 2938 1 1 4 GLN OE1 O -6.950 -0.040 -6.205 1.00 . A A . 4 GLN OE1 1 1 12 2939 1 1 5 ARG C C -6.460 -4.647 0.445 1.00 . A A . 5 ARG C 1 1 12 2940 1 1 5 ARG CA C -6.140 -3.119 0.298 1.00 . A A . 5 ARG CA 1 1 12 2941 1 1 5 ARG CB C -7.326 -2.127 0.506 1.00 . A A . 5 ARG CB 1 1 12 2942 1 1 5 ARG CD C -8.966 -1.191 2.328 1.00 . A A . 5 ARG CD 1 1 12 2943 1 1 5 ARG CG C -8.230 -2.405 1.731 1.00 . A A . 5 ARG CG 1 1 12 2944 1 1 5 ARG CZ C -8.485 0.219 4.353 1.00 . A A . 5 ARG CZ 1 1 12 2945 1 1 5 ARG H H -5.765 -3.321 -1.892 1.00 . A A . 5 ARG H 1 1 12 2946 1 1 5 ARG HA H -5.410 -2.887 1.103 1.00 . A A . 5 ARG HA 1 1 12 2947 1 1 5 ARG HB2 H -6.899 -1.107 0.580 1.00 . A A . 5 ARG HB2 1 1 12 2948 1 1 5 ARG HB3 H -7.960 -2.101 -0.402 1.00 . A A . 5 ARG HB3 1 1 12 2949 1 1 5 ARG HD2 H -9.303 -0.497 1.529 1.00 . A A . 5 ARG HD2 1 1 12 2950 1 1 5 ARG HD3 H -9.891 -1.562 2.816 1.00 . A A . 5 ARG HD3 1 1 12 2951 1 1 5 ARG HE H -7.061 -0.609 3.237 1.00 . A A . 5 ARG HE 1 1 12 2952 1 1 5 ARG HG2 H -8.984 -3.146 1.400 1.00 . A A . 5 ARG HG2 1 1 12 2953 1 1 5 ARG HG3 H -7.659 -2.937 2.516 1.00 . A A . 5 ARG HG3 1 1 12 2954 1 1 5 ARG HH11 H -10.391 0.179 3.877 1.00 . A A . 5 ARG HH11 1 1 12 2955 1 1 5 ARG HH12 H -9.965 1.074 5.413 1.00 . A A . 5 ARG HH12 1 1 12 2956 1 1 5 ARG HH21 H -6.614 0.415 4.993 1.00 . A A . 5 ARG HH21 1 1 12 2957 1 1 5 ARG HH22 H -7.920 1.193 5.992 1.00 . A A . 5 ARG HH22 1 1 12 2958 1 1 5 ARG N N -5.510 -2.834 -1.025 1.00 . A A . 5 ARG N 1 1 12 2959 1 1 5 ARG NE N -8.077 -0.497 3.304 1.00 . A A . 5 ARG NE 1 1 12 2960 1 1 5 ARG NH1 N -9.740 0.512 4.590 1.00 . A A . 5 ARG NH1 1 1 12 2961 1 1 5 ARG NH2 N -7.588 0.653 5.190 1.00 . A A . 5 ARG NH2 1 1 12 2962 1 1 5 ARG O O -7.613 -5.087 0.467 1.00 . A A . 5 ARG O 1 1 12 2963 1 1 6 ASN C C -4.185 -7.341 1.683 1.00 . A A . 6 ASN C 1 1 12 2964 1 1 6 ASN CA C -5.504 -6.895 0.965 1.00 . A A . 6 ASN CA 1 1 12 2965 1 1 6 ASN CB C -5.872 -7.723 -0.305 1.00 . A A . 6 ASN CB 1 1 12 2966 1 1 6 ASN CG C -6.433 -9.115 -0.014 1.00 . A A . 6 ASN CG 1 1 12 2967 1 1 6 ASN H H -4.509 -4.947 0.536 1.00 . A A . 6 ASN H 1 1 12 2968 1 1 6 ASN HA H -6.327 -7.010 1.693 1.00 . A A . 6 ASN HA 1 1 12 2969 1 1 6 ASN HB2 H -6.661 -7.204 -0.881 1.00 . A A . 6 ASN HB2 1 1 12 2970 1 1 6 ASN HB3 H -5.012 -7.766 -1.001 1.00 . A A . 6 ASN HB3 1 1 12 2971 1 1 6 ASN HD21 H -4.782 -9.987 -0.714 1.00 . A A . 6 ASN HD21 1 1 12 2972 1 1 6 ASN HD22 H -6.170 -11.067 -0.174 1.00 . A A . 6 ASN HD22 1 1 12 2973 1 1 6 ASN N N -5.401 -5.454 0.607 1.00 . A A . 6 ASN N 1 1 12 2974 1 1 6 ASN ND2 N -5.705 -10.165 -0.306 1.00 . A A . 6 ASN ND2 1 1 12 2975 1 1 6 ASN O O -3.305 -7.933 1.054 1.00 . A A . 6 ASN O 1 1 12 2976 1 1 6 ASN OD1 O -7.538 -9.269 0.501 1.00 . A A . 6 ASN OD1 1 1 12 2977 1 1 7 ILE C C -2.999 -8.595 4.670 1.00 . A A . 7 ILE C 1 1 12 2978 1 1 7 ILE CA C -2.789 -7.331 3.777 1.00 . A A . 7 ILE CA 1 1 12 2979 1 1 7 ILE CB C -2.194 -6.115 4.598 1.00 . A A . 7 ILE CB 1 1 12 2980 1 1 7 ILE CD1 C -2.698 -3.932 5.992 1.00 . A A . 7 ILE CD1 1 1 12 2981 1 1 7 ILE CG1 C -3.207 -5.009 5.012 1.00 . A A . 7 ILE CG1 1 1 12 2982 1 1 7 ILE CG2 C -0.906 -5.590 3.927 1.00 . A A . 7 ILE CG2 1 1 12 2983 1 1 7 ILE H H -4.825 -6.566 3.446 1.00 . A A . 7 ILE H 1 1 12 2984 1 1 7 ILE HA H -2.009 -7.600 3.045 1.00 . A A . 7 ILE HA 1 1 12 2985 1 1 7 ILE HB H -1.834 -6.508 5.567 1.00 . A A . 7 ILE HB 1 1 12 2986 1 1 7 ILE HD11 H -3.505 -3.236 6.286 1.00 . A A . 7 ILE HD11 1 1 12 2987 1 1 7 ILE HD12 H -2.284 -4.371 6.917 1.00 . A A . 7 ILE HD12 1 1 12 2988 1 1 7 ILE HD13 H -1.902 -3.304 5.551 1.00 . A A . 7 ILE HD13 1 1 12 2989 1 1 7 ILE HG12 H -3.607 -4.530 4.102 1.00 . A A . 7 ILE HG12 1 1 12 2990 1 1 7 ILE HG13 H -4.081 -5.497 5.475 1.00 . A A . 7 ILE HG13 1 1 12 2991 1 1 7 ILE HG21 H -0.946 -5.615 2.826 1.00 . A A . 7 ILE HG21 1 1 12 2992 1 1 7 ILE HG22 H -0.685 -4.550 4.198 1.00 . A A . 7 ILE HG22 1 1 12 2993 1 1 7 ILE HG23 H -0.031 -6.199 4.218 1.00 . A A . 7 ILE HG23 1 1 12 2994 1 1 7 ILE N N -4.033 -7.026 2.989 1.00 . A A . 7 ILE N 1 1 12 2995 1 1 7 ILE O O -2.446 -9.662 4.403 1.00 . A A . 7 ILE O 1 1 12 2996 1 1 8 ARG C C -4.794 -10.839 5.888 1.00 . A A . 8 ARG C 1 1 12 2997 1 1 8 ARG CA C -4.320 -9.527 6.610 1.00 . A A . 8 ARG CA 1 1 12 2998 1 1 8 ARG CB C -5.405 -8.943 7.589 1.00 . A A . 8 ARG CB 1 1 12 2999 1 1 8 ARG CD C -6.989 -7.346 6.011 1.00 . A A . 8 ARG CD 1 1 12 3000 1 1 8 ARG CG C -6.170 -7.600 7.310 1.00 . A A . 8 ARG CG 1 1 12 3001 1 1 8 ARG CZ C -7.665 -8.590 3.944 1.00 . A A . 8 ARG CZ 1 1 12 3002 1 1 8 ARG H H -4.100 -7.467 5.864 1.00 . A A . 8 ARG H 1 1 12 3003 1 1 8 ARG HA H -3.457 -9.815 7.234 1.00 . A A . 8 ARG HA 1 1 12 3004 1 1 8 ARG HB2 H -6.161 -9.720 7.819 1.00 . A A . 8 ARG HB2 1 1 12 3005 1 1 8 ARG HB3 H -4.904 -8.807 8.568 1.00 . A A . 8 ARG HB3 1 1 12 3006 1 1 8 ARG HD2 H -7.976 -6.921 6.282 1.00 . A A . 8 ARG HD2 1 1 12 3007 1 1 8 ARG HD3 H -6.482 -6.550 5.428 1.00 . A A . 8 ARG HD3 1 1 12 3008 1 1 8 ARG HE H -6.575 -9.383 5.370 1.00 . A A . 8 ARG HE 1 1 12 3009 1 1 8 ARG HG2 H -6.849 -7.431 8.166 1.00 . A A . 8 ARG HG2 1 1 12 3010 1 1 8 ARG HG3 H -5.441 -6.771 7.409 1.00 . A A . 8 ARG HG3 1 1 12 3011 1 1 8 ARG HH11 H -8.517 -6.819 4.026 1.00 . A A . 8 ARG HH11 1 1 12 3012 1 1 8 ARG HH12 H -8.684 -7.738 2.445 1.00 . A A . 8 ARG HH12 1 1 12 3013 1 1 8 ARG HH21 H -6.778 -10.323 3.679 1.00 . A A . 8 ARG HH21 1 1 12 3014 1 1 8 ARG HH22 H -7.674 -9.614 2.235 1.00 . A A . 8 ARG HH22 1 1 12 3015 1 1 8 ARG N N -3.819 -8.440 5.726 1.00 . A A . 8 ARG N 1 1 12 3016 1 1 8 ARG NE N -7.156 -8.554 5.166 1.00 . A A . 8 ARG NE 1 1 12 3017 1 1 8 ARG NH1 N -8.366 -7.621 3.412 1.00 . A A . 8 ARG NH1 1 1 12 3018 1 1 8 ARG NH2 N -7.434 -9.655 3.240 1.00 . A A . 8 ARG NH2 1 1 12 3019 1 1 8 ARG O O -5.345 -10.781 4.783 1.00 . A A . 8 ARG O 1 1 12 3020 1 1 9 LYS C C -5.996 -13.656 5.063 1.00 . A A . 9 LYS C 1 1 12 3021 1 1 9 LYS CA C -4.663 -13.341 5.841 1.00 . A A . 9 LYS CA 1 1 12 3022 1 1 9 LYS CB C -4.301 -14.396 6.931 1.00 . A A . 9 LYS CB 1 1 12 3023 1 1 9 LYS CD C -3.370 -16.715 7.547 1.00 . A A . 9 LYS CD 1 1 12 3024 1 1 9 LYS CE C -2.646 -18.002 7.096 1.00 . A A . 9 LYS CE 1 1 12 3025 1 1 9 LYS CG C -3.806 -15.766 6.406 1.00 . A A . 9 LYS CG 1 1 12 3026 1 1 9 LYS H H -4.159 -11.912 7.447 1.00 . A A . 9 LYS H 1 1 12 3027 1 1 9 LYS HA H -3.843 -13.346 5.097 1.00 . A A . 9 LYS HA 1 1 12 3028 1 1 9 LYS HB2 H -3.497 -13.999 7.584 1.00 . A A . 9 LYS HB2 1 1 12 3029 1 1 9 LYS HB3 H -5.170 -14.536 7.604 1.00 . A A . 9 LYS HB3 1 1 12 3030 1 1 9 LYS HD2 H -2.681 -16.164 8.219 1.00 . A A . 9 LYS HD2 1 1 12 3031 1 1 9 LYS HD3 H -4.239 -16.957 8.192 1.00 . A A . 9 LYS HD3 1 1 12 3032 1 1 9 LYS HE2 H -1.783 -17.744 6.441 1.00 . A A . 9 LYS HE2 1 1 12 3033 1 1 9 LYS HE3 H -2.179 -18.484 7.984 1.00 . A A . 9 LYS HE3 1 1 12 3034 1 1 9 LYS HG2 H -4.602 -16.248 5.807 1.00 . A A . 9 LYS HG2 1 1 12 3035 1 1 9 LYS HG3 H -2.957 -15.602 5.711 1.00 . A A . 9 LYS HG3 1 1 12 3036 1 1 9 LYS HZ1 H -4.367 -19.221 7.019 1.00 . A A . 9 LYS HZ1 1 1 12 3037 1 1 9 LYS HZ2 H -3.991 -18.560 5.570 1.00 . A A . 9 LYS HZ2 1 1 12 3038 1 1 9 LYS HZ3 H -3.123 -19.836 6.136 1.00 . A A . 9 LYS HZ3 1 1 12 3039 1 1 9 LYS N N -4.577 -12.008 6.516 1.00 . A A . 9 LYS N 1 1 12 3040 1 1 9 LYS NZ N -3.573 -18.955 6.422 1.00 . A A . 9 LYS NZ 1 1 12 3041 1 1 9 LYS O O -7.044 -13.059 5.329 1.00 . A A . 9 LYS O 1 1 12 3042 1 1 10 VAL C C -8.475 -14.907 3.618 1.00 . A A . 10 VAL C 1 1 12 3043 1 1 10 VAL CA C -7.002 -14.840 3.065 1.00 . A A . 10 VAL CA 1 1 12 3044 1 1 10 VAL CB C -6.657 -16.080 2.162 1.00 . A A . 10 VAL CB 1 1 12 3045 1 1 10 VAL CG1 C -5.436 -15.854 1.240 1.00 . A A . 10 VAL CG1 1 1 12 3046 1 1 10 VAL CG2 C -6.473 -17.421 2.911 1.00 . A A . 10 VAL CG2 1 1 12 3047 1 1 10 VAL H H -4.983 -14.959 3.931 1.00 . A A . 10 VAL H 1 1 12 3048 1 1 10 VAL HA H -6.960 -13.972 2.377 1.00 . A A . 10 VAL HA 1 1 12 3049 1 1 10 VAL HB H -7.517 -16.224 1.477 1.00 . A A . 10 VAL HB 1 1 12 3050 1 1 10 VAL HG11 H -4.491 -15.752 1.805 1.00 . A A . 10 VAL HG11 1 1 12 3051 1 1 10 VAL HG12 H -5.296 -16.692 0.531 1.00 . A A . 10 VAL HG12 1 1 12 3052 1 1 10 VAL HG13 H -5.546 -14.942 0.624 1.00 . A A . 10 VAL HG13 1 1 12 3053 1 1 10 VAL HG21 H -6.328 -18.266 2.212 1.00 . A A . 10 VAL HG21 1 1 12 3054 1 1 10 VAL HG22 H -5.601 -17.403 3.589 1.00 . A A . 10 VAL HG22 1 1 12 3055 1 1 10 VAL HG23 H -7.358 -17.671 3.526 1.00 . A A . 10 VAL HG23 1 1 12 3056 1 1 10 VAL N N -5.917 -14.564 4.067 1.00 . A A . 10 VAL N 1 1 12 3057 1 1 10 VAL O O -8.798 -15.694 4.511 1.00 . A A . 10 VAL O 1 1 12 3058 1 1 11 ARG C C -11.899 -14.358 3.435 1.00 . A A . 11 ARG C 1 1 12 3059 1 1 11 ARG CA C -10.585 -13.593 3.815 1.00 . A A . 11 ARG CA 1 1 12 3060 1 1 11 ARG CB C -10.652 -12.052 3.606 1.00 . A A . 11 ARG CB 1 1 12 3061 1 1 11 ARG CD C -11.598 -9.768 4.248 1.00 . A A . 11 ARG CD 1 1 12 3062 1 1 11 ARG CG C -11.792 -11.295 4.329 1.00 . A A . 11 ARG CG 1 1 12 3063 1 1 11 ARG CZ C -13.760 -8.504 3.987 1.00 . A A . 11 ARG CZ 1 1 12 3064 1 1 11 ARG H H -8.929 -13.419 2.379 1.00 . A A . 11 ARG H 1 1 12 3065 1 1 11 ARG HA H -10.459 -13.757 4.906 1.00 . A A . 11 ARG HA 1 1 12 3066 1 1 11 ARG HB2 H -9.689 -11.617 3.946 1.00 . A A . 11 ARG HB2 1 1 12 3067 1 1 11 ARG HB3 H -10.708 -11.827 2.522 1.00 . A A . 11 ARG HB3 1 1 12 3068 1 1 11 ARG HD2 H -10.722 -9.488 4.869 1.00 . A A . 11 ARG HD2 1 1 12 3069 1 1 11 ARG HD3 H -11.308 -9.455 3.225 1.00 . A A . 11 ARG HD3 1 1 12 3070 1 1 11 ARG HE H -12.931 -8.877 5.751 1.00 . A A . 11 ARG HE 1 1 12 3071 1 1 11 ARG HG2 H -12.766 -11.591 3.890 1.00 . A A . 11 ARG HG2 1 1 12 3072 1 1 11 ARG HG3 H -11.848 -11.610 5.391 1.00 . A A . 11 ARG HG3 1 1 12 3073 1 1 11 ARG HH11 H -13.079 -9.226 2.292 1.00 . A A . 11 ARG HH11 1 1 12 3074 1 1 11 ARG HH12 H -14.595 -8.209 2.181 1.00 . A A . 11 ARG HH12 1 1 12 3075 1 1 11 ARG HH21 H -14.652 -7.733 5.588 1.00 . A A . 11 ARG HH21 1 1 12 3076 1 1 11 ARG HH22 H -15.431 -7.428 3.973 1.00 . A A . 11 ARG HH22 1 1 12 3077 1 1 11 ARG N N -9.334 -14.007 3.112 1.00 . A A . 11 ARG N 1 1 12 3078 1 1 11 ARG NE N -12.797 -9.033 4.747 1.00 . A A . 11 ARG NE 1 1 12 3079 1 1 11 ARG NH1 N -13.814 -8.635 2.684 1.00 . A A . 11 ARG NH1 1 1 12 3080 1 1 11 ARG NH2 N -14.703 -7.823 4.571 1.00 . A A . 11 ARG NH2 1 1 12 3081 1 1 11 ARG O O -12.827 -14.435 4.234 1.00 . A A . 11 ARG O 1 1 12 3082 1 1 12 NH2 HN1 H -12.950 -15.460 2.196 1.00 . A A . 12 NH2 HN1 1 1 12 3083 1 1 12 NH2 HN2 H -11.248 -15.006 1.666 1.00 . A A . 12 NH2 HN2 1 1 12 3084 1 1 12 NH2 N N -12.081 -14.920 2.254 1.00 . A A . 12 NH2 N 1 1 12 3085 2 2 1 DAO C1 C 2.875 -2.268 3.375 1.00 . B A . 13 DAO C1 1 1 12 3086 2 2 1 DAO C10 C 2.476 -4.012 13.085 1.00 . B A . 13 DAO C10 1 1 12 3087 2 2 1 DAO C11 C 3.844 -3.359 13.375 1.00 . B A . 13 DAO C11 1 1 12 3088 2 2 1 DAO C12 C 4.795 -4.237 14.203 1.00 . B A . 13 DAO C12 1 1 12 3089 2 2 1 DAO C2 C 1.700 -3.093 3.873 1.00 . B A . 13 DAO C2 1 1 12 3090 2 2 1 DAO C3 C 1.524 -3.198 5.406 1.00 . B A . 13 DAO C3 1 1 12 3091 2 2 1 DAO C4 C 2.401 -4.299 6.031 1.00 . B A . 13 DAO C4 1 1 12 3092 2 2 1 DAO C5 C 2.061 -4.539 7.514 1.00 . B A . 13 DAO C5 1 1 12 3093 2 2 1 DAO C6 C 2.965 -5.603 8.172 1.00 . B A . 13 DAO C6 1 1 12 3094 2 2 1 DAO C7 C 2.589 -5.947 9.630 1.00 . B A . 13 DAO C7 1 1 12 3095 2 2 1 DAO C8 C 2.799 -4.794 10.635 1.00 . B A . 13 DAO C8 1 1 12 3096 2 2 1 DAO C9 C 2.468 -5.194 12.088 1.00 . B A . 13 DAO C9 1 1 12 3097 2 2 1 DAO H101 H 1.780 -3.234 12.718 1.00 . B A . 13 DAO H101 1 1 12 3098 2 2 1 DAO H102 H 2.029 -4.346 14.042 1.00 . B A . 13 DAO H102 1 1 12 3099 2 2 1 DAO H111 H 4.335 -3.056 12.431 1.00 . B A . 13 DAO H111 1 1 12 3100 2 2 1 DAO H112 H 3.677 -2.411 13.922 1.00 . B A . 13 DAO H112 1 1 12 3101 2 2 1 DAO H121 H 5.056 -5.174 13.676 1.00 . B A . 13 DAO H121 1 1 12 3102 2 2 1 DAO H122 H 5.744 -3.711 14.416 1.00 . B A . 13 DAO H122 1 1 12 3103 2 2 1 DAO H123 H 4.352 -4.516 15.177 1.00 . B A . 13 DAO H123 1 1 12 3104 2 2 1 DAO H21 H 0.809 -2.647 3.408 1.00 . B A . 13 DAO H21 1 1 12 3105 2 2 1 DAO H22 H 1.767 -4.099 3.417 1.00 . B A . 13 DAO H22 1 1 12 3106 2 2 1 DAO H31 H 1.723 -2.221 5.891 1.00 . B A . 13 DAO H31 1 1 12 3107 2 2 1 DAO H32 H 0.465 -3.406 5.639 1.00 . B A . 13 DAO H32 1 1 12 3108 2 2 1 DAO H41 H 2.265 -5.239 5.463 1.00 . B A . 13 DAO H41 1 1 12 3109 2 2 1 DAO H42 H 3.470 -4.030 5.920 1.00 . B A . 13 DAO H42 1 1 12 3110 2 2 1 DAO H51 H 1.001 -4.844 7.608 1.00 . B A . 13 DAO H51 1 1 12 3111 2 2 1 DAO H52 H 2.148 -3.584 8.066 1.00 . B A . 13 DAO H52 1 1 12 3112 2 2 1 DAO H61 H 2.922 -6.534 7.574 1.00 . B A . 13 DAO H61 1 1 12 3113 2 2 1 DAO H62 H 4.023 -5.281 8.126 1.00 . B A . 13 DAO H62 1 1 12 3114 2 2 1 DAO H71 H 1.540 -6.297 9.670 1.00 . B A . 13 DAO H71 1 1 12 3115 2 2 1 DAO H72 H 3.194 -6.818 9.951 1.00 . B A . 13 DAO H72 1 1 12 3116 2 2 1 DAO H81 H 3.845 -4.436 10.575 1.00 . B A . 13 DAO H81 1 1 12 3117 2 2 1 DAO H82 H 2.172 -3.931 10.344 1.00 . B A . 13 DAO H82 1 1 12 3118 2 2 1 DAO H91 H 3.157 -5.988 12.432 1.00 . B A . 13 DAO H91 1 1 12 3119 2 2 1 DAO H92 H 1.462 -5.657 12.113 1.00 . B A . 13 DAO H92 1 1 12 3120 2 2 1 DAO O1 O 3.353 -1.332 4.016 1.00 . B A . 13 DAO O1 1 1 13 3121 1 1 1 PHE C C 3.549 -0.601 -1.054 1.00 . A A . 1 PHE C 1 1 13 3122 1 1 1 PHE CA C 3.719 -0.184 0.440 1.00 . A A . 1 PHE CA 1 1 13 3123 1 1 1 PHE CB C 4.994 -0.784 1.132 1.00 . A A . 1 PHE CB 1 1 13 3124 1 1 1 PHE CD1 C 4.924 0.295 3.453 1.00 . A A . 1 PHE CD1 1 1 13 3125 1 1 1 PHE CD2 C 5.019 -2.114 3.303 1.00 . A A . 1 PHE CD2 1 1 13 3126 1 1 1 PHE CE1 C 4.805 0.202 4.838 1.00 . A A . 1 PHE CE1 1 1 13 3127 1 1 1 PHE CE2 C 4.906 -2.205 4.687 1.00 . A A . 1 PHE CE2 1 1 13 3128 1 1 1 PHE CG C 5.022 -0.863 2.674 1.00 . A A . 1 PHE CG 1 1 13 3129 1 1 1 PHE CZ C 4.796 -1.048 5.454 1.00 . A A . 1 PHE CZ 1 1 13 3130 1 1 1 PHE H1 H 2.671 -0.760 2.148 1.00 . A A . 1 PHE H1 1 1 13 3131 1 1 1 PHE HA H 3.858 0.915 0.450 1.00 . A A . 1 PHE HA 1 1 13 3132 1 1 1 PHE HB2 H 5.200 -1.792 0.724 1.00 . A A . 1 PHE HB2 1 1 13 3133 1 1 1 PHE HB3 H 5.873 -0.203 0.799 1.00 . A A . 1 PHE HB3 1 1 13 3134 1 1 1 PHE HD1 H 4.896 1.268 2.983 1.00 . A A . 1 PHE HD1 1 1 13 3135 1 1 1 PHE HD2 H 5.077 -3.023 2.721 1.00 . A A . 1 PHE HD2 1 1 13 3136 1 1 1 PHE HE1 H 4.702 1.099 5.428 1.00 . A A . 1 PHE HE1 1 1 13 3137 1 1 1 PHE HE2 H 4.890 -3.177 5.159 1.00 . A A . 1 PHE HE2 1 1 13 3138 1 1 1 PHE HZ H 4.696 -1.120 6.527 1.00 . A A . 1 PHE HZ 1 1 13 3139 1 1 1 PHE N N 2.460 -0.509 1.178 1.00 . A A . 1 PHE N 1 1 13 3140 1 1 1 PHE O O 3.500 0.256 -1.937 1.00 . A A . 1 PHE O 1 1 13 3141 1 1 2 GLN C C 1.505 -2.636 -2.896 1.00 . A A . 2 GLN C 1 1 13 3142 1 1 2 GLN CA C 3.047 -2.460 -2.655 1.00 . A A . 2 GLN CA 1 1 13 3143 1 1 2 GLN CB C 3.871 -3.764 -2.844 1.00 . A A . 2 GLN CB 1 1 13 3144 1 1 2 GLN CD C 4.840 -5.456 -4.554 1.00 . A A . 2 GLN CD 1 1 13 3145 1 1 2 GLN CG C 3.764 -4.409 -4.249 1.00 . A A . 2 GLN CG 1 1 13 3146 1 1 2 GLN H H 3.539 -2.504 -0.488 1.00 . A A . 2 GLN H 1 1 13 3147 1 1 2 GLN HA H 3.386 -1.753 -3.438 1.00 . A A . 2 GLN HA 1 1 13 3148 1 1 2 GLN HB2 H 4.940 -3.534 -2.654 1.00 . A A . 2 GLN HB2 1 1 13 3149 1 1 2 GLN HB3 H 3.594 -4.511 -2.074 1.00 . A A . 2 GLN HB3 1 1 13 3150 1 1 2 GLN HE21 H 3.768 -6.908 -3.696 1.00 . A A . 2 GLN HE21 1 1 13 3151 1 1 2 GLN HE22 H 5.411 -7.328 -4.425 1.00 . A A . 2 GLN HE22 1 1 13 3152 1 1 2 GLN HG2 H 2.755 -4.838 -4.397 1.00 . A A . 2 GLN HG2 1 1 13 3153 1 1 2 GLN HG3 H 3.850 -3.622 -5.020 1.00 . A A . 2 GLN HG3 1 1 13 3154 1 1 2 GLN N N 3.427 -1.916 -1.320 1.00 . A A . 2 GLN N 1 1 13 3155 1 1 2 GLN NE2 N 4.635 -6.700 -4.196 1.00 . A A . 2 GLN NE2 1 1 13 3156 1 1 2 GLN O O 1.063 -2.486 -4.038 1.00 . A A . 2 GLN O 1 1 13 3157 1 1 2 GLN OE1 O 5.885 -5.164 -5.123 1.00 . A A . 2 GLN OE1 1 1 13 3158 1 1 3 TRP C C -1.531 -1.706 -1.872 1.00 . A A . 3 TRP C 1 1 13 3159 1 1 3 TRP CA C -0.784 -3.076 -2.011 1.00 . A A . 3 TRP CA 1 1 13 3160 1 1 3 TRP CB C -1.294 -4.183 -1.034 1.00 . A A . 3 TRP CB 1 1 13 3161 1 1 3 TRP CD1 C -2.903 -3.667 0.930 1.00 . A A . 3 TRP CD1 1 1 13 3162 1 1 3 TRP CD2 C -0.773 -3.446 1.493 1.00 . A A . 3 TRP CD2 1 1 13 3163 1 1 3 TRP CE2 C -1.604 -3.060 2.581 1.00 . A A . 3 TRP CE2 1 1 13 3164 1 1 3 TRP CE3 C 0.635 -3.484 1.650 1.00 . A A . 3 TRP CE3 1 1 13 3165 1 1 3 TRP CG C -1.595 -3.796 0.433 1.00 . A A . 3 TRP CG 1 1 13 3166 1 1 3 TRP CH2 C 0.359 -2.794 3.971 1.00 . A A . 3 TRP CH2 1 1 13 3167 1 1 3 TRP CZ2 C -1.028 -2.719 3.826 1.00 . A A . 3 TRP CZ2 1 1 13 3168 1 1 3 TRP CZ3 C 1.177 -3.171 2.899 1.00 . A A . 3 TRP CZ3 1 1 13 3169 1 1 3 TRP H H 1.125 -2.874 -0.953 1.00 . A A . 3 TRP H 1 1 13 3170 1 1 3 TRP HA H -0.997 -3.457 -3.030 1.00 . A A . 3 TRP HA 1 1 13 3171 1 1 3 TRP HB2 H -2.225 -4.593 -1.469 1.00 . A A . 3 TRP HB2 1 1 13 3172 1 1 3 TRP HB3 H -0.626 -5.050 -1.080 1.00 . A A . 3 TRP HB3 1 1 13 3173 1 1 3 TRP HD1 H -3.773 -3.954 0.370 1.00 . A A . 3 TRP HD1 1 1 13 3174 1 1 3 TRP HE1 H -3.767 -2.781 2.715 1.00 . A A . 3 TRP HE1 1 1 13 3175 1 1 3 TRP HE3 H 1.278 -3.751 0.831 1.00 . A A . 3 TRP HE3 1 1 13 3176 1 1 3 TRP HH2 H 0.809 -2.553 4.923 1.00 . A A . 3 TRP HH2 1 1 13 3177 1 1 3 TRP HZ2 H -1.656 -2.445 4.661 1.00 . A A . 3 TRP HZ2 1 1 13 3178 1 1 3 TRP HZ3 H 2.247 -3.209 3.038 1.00 . A A . 3 TRP HZ3 1 1 13 3179 1 1 3 TRP N N 0.692 -2.972 -1.873 1.00 . A A . 3 TRP N 1 1 13 3180 1 1 3 TRP NE1 N -2.942 -3.163 2.237 1.00 . A A . 3 TRP NE1 1 1 13 3181 1 1 3 TRP O O -0.998 -0.712 -1.376 1.00 . A A . 3 TRP O 1 1 13 3182 1 1 4 GLN C C -5.061 -0.970 -1.134 1.00 . A A . 4 GLN C 1 1 13 3183 1 1 4 GLN CA C -3.763 -0.589 -1.934 1.00 . A A . 4 GLN CA 1 1 13 3184 1 1 4 GLN CB C -4.050 0.199 -3.247 1.00 . A A . 4 GLN CB 1 1 13 3185 1 1 4 GLN CD C -6.528 -0.002 -4.284 1.00 . A A . 4 GLN CD 1 1 13 3186 1 1 4 GLN CG C -5.046 -0.438 -4.267 1.00 . A A . 4 GLN CG 1 1 13 3187 1 1 4 GLN H H -3.050 -2.523 -2.828 1.00 . A A . 4 GLN H 1 1 13 3188 1 1 4 GLN HA H -3.260 0.133 -1.260 1.00 . A A . 4 GLN HA 1 1 13 3189 1 1 4 GLN HB2 H -4.382 1.223 -2.989 1.00 . A A . 4 GLN HB2 1 1 13 3190 1 1 4 GLN HB3 H -3.085 0.386 -3.762 1.00 . A A . 4 GLN HB3 1 1 13 3191 1 1 4 GLN HE21 H -6.490 0.744 -2.430 1.00 . A A . 4 GLN HE21 1 1 13 3192 1 1 4 GLN HE22 H -8.039 0.939 -3.405 1.00 . A A . 4 GLN HE22 1 1 13 3193 1 1 4 GLN HG2 H -4.646 -0.257 -5.279 1.00 . A A . 4 GLN HG2 1 1 13 3194 1 1 4 GLN HG3 H -5.017 -1.539 -4.187 1.00 . A A . 4 GLN HG3 1 1 13 3195 1 1 4 GLN N N -2.814 -1.707 -2.256 1.00 . A A . 4 GLN N 1 1 13 3196 1 1 4 GLN NE2 N -7.070 0.640 -3.274 1.00 . A A . 4 GLN NE2 1 1 13 3197 1 1 4 GLN O O -5.748 -0.066 -0.654 1.00 . A A . 4 GLN O 1 1 13 3198 1 1 4 GLN OE1 O -7.268 -0.303 -5.216 1.00 . A A . 4 GLN OE1 1 1 13 3199 1 1 5 ARG C C -6.842 -2.970 0.952 1.00 . A A . 5 ARG C 1 1 13 3200 1 1 5 ARG CA C -6.797 -2.695 -0.592 1.00 . A A . 5 ARG CA 1 1 13 3201 1 1 5 ARG CB C -7.235 -3.895 -1.499 1.00 . A A . 5 ARG CB 1 1 13 3202 1 1 5 ARG CD C -9.071 -3.192 -3.174 1.00 . A A . 5 ARG CD 1 1 13 3203 1 1 5 ARG CG C -7.586 -3.549 -2.964 1.00 . A A . 5 ARG CG 1 1 13 3204 1 1 5 ARG CZ C -10.090 -2.253 -5.277 1.00 . A A . 5 ARG CZ 1 1 13 3205 1 1 5 ARG H H -4.769 -2.905 -1.463 1.00 . A A . 5 ARG H 1 1 13 3206 1 1 5 ARG HA H -7.522 -1.879 -0.778 1.00 . A A . 5 ARG HA 1 1 13 3207 1 1 5 ARG HB2 H -6.436 -4.661 -1.507 1.00 . A A . 5 ARG HB2 1 1 13 3208 1 1 5 ARG HB3 H -8.099 -4.416 -1.040 1.00 . A A . 5 ARG HB3 1 1 13 3209 1 1 5 ARG HD2 H -9.653 -4.128 -3.297 1.00 . A A . 5 ARG HD2 1 1 13 3210 1 1 5 ARG HD3 H -9.494 -2.687 -2.282 1.00 . A A . 5 ARG HD3 1 1 13 3211 1 1 5 ARG HE H -8.422 -1.548 -4.436 1.00 . A A . 5 ARG HE 1 1 13 3212 1 1 5 ARG HG2 H -6.906 -2.745 -3.306 1.00 . A A . 5 ARG HG2 1 1 13 3213 1 1 5 ARG HG3 H -7.333 -4.404 -3.622 1.00 . A A . 5 ARG HG3 1 1 13 3214 1 1 5 ARG HH11 H -11.114 -3.776 -4.570 1.00 . A A . 5 ARG HH11 1 1 13 3215 1 1 5 ARG HH12 H -11.761 -3.007 -6.098 1.00 . A A . 5 ARG HH12 1 1 13 3216 1 1 5 ARG HH21 H -9.161 -0.741 -6.137 1.00 . A A . 5 ARG HH21 1 1 13 3217 1 1 5 ARG HH22 H -10.702 -1.328 -6.933 1.00 . A A . 5 ARG HH22 1 1 13 3218 1 1 5 ARG N N -5.446 -2.259 -1.050 1.00 . A A . 5 ARG N 1 1 13 3219 1 1 5 ARG NE N -9.154 -2.269 -4.333 1.00 . A A . 5 ARG NE 1 1 13 3220 1 1 5 ARG NH1 N -11.098 -3.088 -5.325 1.00 . A A . 5 ARG NH1 1 1 13 3221 1 1 5 ARG NH2 N -9.985 -1.351 -6.207 1.00 . A A . 5 ARG NH2 1 1 13 3222 1 1 5 ARG O O -7.199 -2.086 1.734 1.00 . A A . 5 ARG O 1 1 13 3223 1 1 6 ASN C C -5.642 -5.899 2.900 1.00 . A A . 6 ASN C 1 1 13 3224 1 1 6 ASN CA C -6.529 -4.618 2.816 1.00 . A A . 6 ASN CA 1 1 13 3225 1 1 6 ASN CB C -7.997 -4.879 3.292 1.00 . A A . 6 ASN CB 1 1 13 3226 1 1 6 ASN CG C -8.296 -4.445 4.728 1.00 . A A . 6 ASN CG 1 1 13 3227 1 1 6 ASN H H -6.275 -4.860 0.643 1.00 . A A . 6 ASN H 1 1 13 3228 1 1 6 ASN HA H -6.068 -3.808 3.419 1.00 . A A . 6 ASN HA 1 1 13 3229 1 1 6 ASN HB2 H -8.727 -4.374 2.629 1.00 . A A . 6 ASN HB2 1 1 13 3230 1 1 6 ASN HB3 H -8.264 -5.946 3.185 1.00 . A A . 6 ASN HB3 1 1 13 3231 1 1 6 ASN HD21 H -8.591 -2.575 4.105 1.00 . A A . 6 ASN HD21 1 1 13 3232 1 1 6 ASN HD22 H -8.826 -2.939 5.895 1.00 . A A . 6 ASN HD22 1 1 13 3233 1 1 6 ASN N N -6.512 -4.198 1.388 1.00 . A A . 6 ASN N 1 1 13 3234 1 1 6 ASN ND2 N -8.618 -3.190 4.925 1.00 . A A . 6 ASN ND2 1 1 13 3235 1 1 6 ASN O O -5.921 -6.869 2.186 1.00 . A A . 6 ASN O 1 1 13 3236 1 1 6 ASN OD1 O -8.269 -5.222 5.679 1.00 . A A . 6 ASN OD1 1 1 13 3237 1 1 7 ILE C C -4.022 -8.447 3.765 1.00 . A A . 7 ILE C 1 1 13 3238 1 1 7 ILE CA C -3.499 -6.968 3.664 1.00 . A A . 7 ILE CA 1 1 13 3239 1 1 7 ILE CB C -2.243 -6.715 4.609 1.00 . A A . 7 ILE CB 1 1 13 3240 1 1 7 ILE CD1 C -1.254 -5.470 6.712 1.00 . A A . 7 ILE CD1 1 1 13 3241 1 1 7 ILE CG1 C -2.373 -5.574 5.660 1.00 . A A . 7 ILE CG1 1 1 13 3242 1 1 7 ILE CG2 C -0.943 -6.617 3.777 1.00 . A A . 7 ILE CG2 1 1 13 3243 1 1 7 ILE H H -4.409 -5.049 4.242 1.00 . A A . 7 ILE H 1 1 13 3244 1 1 7 ILE HA H -3.135 -6.855 2.621 1.00 . A A . 7 ILE HA 1 1 13 3245 1 1 7 ILE HB H -2.090 -7.617 5.229 1.00 . A A . 7 ILE HB 1 1 13 3246 1 1 7 ILE HD11 H -0.286 -5.189 6.258 1.00 . A A . 7 ILE HD11 1 1 13 3247 1 1 7 ILE HD12 H -1.485 -4.696 7.468 1.00 . A A . 7 ILE HD12 1 1 13 3248 1 1 7 ILE HD13 H -1.104 -6.422 7.255 1.00 . A A . 7 ILE HD13 1 1 13 3249 1 1 7 ILE HG12 H -2.479 -4.608 5.138 1.00 . A A . 7 ILE HG12 1 1 13 3250 1 1 7 ILE HG13 H -3.327 -5.708 6.204 1.00 . A A . 7 ILE HG13 1 1 13 3251 1 1 7 ILE HG21 H -0.938 -5.729 3.125 1.00 . A A . 7 ILE HG21 1 1 13 3252 1 1 7 ILE HG22 H -0.039 -6.559 4.411 1.00 . A A . 7 ILE HG22 1 1 13 3253 1 1 7 ILE HG23 H -0.806 -7.499 3.124 1.00 . A A . 7 ILE HG23 1 1 13 3254 1 1 7 ILE N N -4.582 -5.923 3.737 1.00 . A A . 7 ILE N 1 1 13 3255 1 1 7 ILE O O -4.107 -9.142 2.752 1.00 . A A . 7 ILE O 1 1 13 3256 1 1 8 ARG C C -5.163 -11.398 4.484 1.00 . A A . 8 ARG C 1 1 13 3257 1 1 8 ARG CA C -5.372 -10.016 5.210 1.00 . A A . 8 ARG CA 1 1 13 3258 1 1 8 ARG CB C -6.842 -9.493 5.071 1.00 . A A . 8 ARG CB 1 1 13 3259 1 1 8 ARG CD C -6.953 -7.921 7.188 1.00 . A A . 8 ARG CD 1 1 13 3260 1 1 8 ARG CG C -7.242 -8.129 5.687 1.00 . A A . 8 ARG CG 1 1 13 3261 1 1 8 ARG CZ C -9.095 -7.746 8.480 1.00 . A A . 8 ARG CZ 1 1 13 3262 1 1 8 ARG H H -4.252 -8.177 5.697 1.00 . A A . 8 ARG H 1 1 13 3263 1 1 8 ARG HA H -5.262 -10.278 6.280 1.00 . A A . 8 ARG HA 1 1 13 3264 1 1 8 ARG HB2 H -7.084 -9.451 3.990 1.00 . A A . 8 ARG HB2 1 1 13 3265 1 1 8 ARG HB3 H -7.522 -10.260 5.483 1.00 . A A . 8 ARG HB3 1 1 13 3266 1 1 8 ARG HD2 H -5.991 -8.396 7.463 1.00 . A A . 8 ARG HD2 1 1 13 3267 1 1 8 ARG HD3 H -6.767 -6.846 7.383 1.00 . A A . 8 ARG HD3 1 1 13 3268 1 1 8 ARG HE H -7.898 -9.339 8.555 1.00 . A A . 8 ARG HE 1 1 13 3269 1 1 8 ARG HG2 H -6.706 -7.340 5.127 1.00 . A A . 8 ARG HG2 1 1 13 3270 1 1 8 ARG HG3 H -8.307 -7.919 5.464 1.00 . A A . 8 ARG HG3 1 1 13 3271 1 1 8 ARG HH11 H -8.844 -6.232 7.212 1.00 . A A . 8 ARG HH11 1 1 13 3272 1 1 8 ARG HH12 H -10.267 -6.117 8.355 1.00 . A A . 8 ARG HH12 1 1 13 3273 1 1 8 ARG HH21 H -9.530 -9.130 9.838 1.00 . A A . 8 ARG HH21 1 1 13 3274 1 1 8 ARG HH22 H -10.633 -7.687 9.735 1.00 . A A . 8 ARG HH22 1 1 13 3275 1 1 8 ARG N N -4.406 -8.892 4.979 1.00 . A A . 8 ARG N 1 1 13 3276 1 1 8 ARG NE N -8.026 -8.442 8.078 1.00 . A A . 8 ARG NE 1 1 13 3277 1 1 8 ARG NH1 N -9.441 -6.583 7.978 1.00 . A A . 8 ARG NH1 1 1 13 3278 1 1 8 ARG NH2 N -9.840 -8.251 9.420 1.00 . A A . 8 ARG NH2 1 1 13 3279 1 1 8 ARG O O -6.137 -12.131 4.264 1.00 . A A . 8 ARG O 1 1 13 3280 1 1 9 LYS C C -3.659 -14.351 4.154 1.00 . A A . 9 LYS C 1 1 13 3281 1 1 9 LYS CA C -3.642 -13.012 3.329 1.00 . A A . 9 LYS CA 1 1 13 3282 1 1 9 LYS CB C -2.324 -12.757 2.546 1.00 . A A . 9 LYS CB 1 1 13 3283 1 1 9 LYS CD C -0.662 -14.155 1.091 1.00 . A A . 9 LYS CD 1 1 13 3284 1 1 9 LYS CE C -0.221 -15.252 2.083 1.00 . A A . 9 LYS CE 1 1 13 3285 1 1 9 LYS CG C -2.117 -13.692 1.322 1.00 . A A . 9 LYS CG 1 1 13 3286 1 1 9 LYS H H -3.223 -11.049 4.277 1.00 . A A . 9 LYS H 1 1 13 3287 1 1 9 LYS HA H -4.439 -13.092 2.561 1.00 . A A . 9 LYS HA 1 1 13 3288 1 1 9 LYS HB2 H -2.291 -11.712 2.175 1.00 . A A . 9 LYS HB2 1 1 13 3289 1 1 9 LYS HB3 H -1.476 -12.822 3.255 1.00 . A A . 9 LYS HB3 1 1 13 3290 1 1 9 LYS HD2 H -0.588 -14.535 0.052 1.00 . A A . 9 LYS HD2 1 1 13 3291 1 1 9 LYS HD3 H 0.018 -13.280 1.127 1.00 . A A . 9 LYS HD3 1 1 13 3292 1 1 9 LYS HE2 H -0.267 -14.871 3.128 1.00 . A A . 9 LYS HE2 1 1 13 3293 1 1 9 LYS HE3 H -0.948 -16.095 2.068 1.00 . A A . 9 LYS HE3 1 1 13 3294 1 1 9 LYS HG2 H -2.775 -14.583 1.379 1.00 . A A . 9 LYS HG2 1 1 13 3295 1 1 9 LYS HG3 H -2.477 -13.162 0.417 1.00 . A A . 9 LYS HG3 1 1 13 3296 1 1 9 LYS HZ1 H 1.849 -14.974 1.783 1.00 . A A . 9 LYS HZ1 1 1 13 3297 1 1 9 LYS HZ2 H 1.491 -16.467 2.372 1.00 . A A . 9 LYS HZ2 1 1 13 3298 1 1 9 LYS HZ3 H 1.208 -16.111 0.793 1.00 . A A . 9 LYS HZ3 1 1 13 3299 1 1 9 LYS N N -3.914 -11.799 4.164 1.00 . A A . 9 LYS N 1 1 13 3300 1 1 9 LYS NZ N 1.149 -15.726 1.745 1.00 . A A . 9 LYS NZ 1 1 13 3301 1 1 9 LYS O O -2.654 -15.052 4.307 1.00 . A A . 9 LYS O 1 1 13 3302 1 1 10 VAL C C -6.488 -16.442 5.492 1.00 . A A . 10 VAL C 1 1 13 3303 1 1 10 VAL CA C -5.084 -15.766 5.668 1.00 . A A . 10 VAL CA 1 1 13 3304 1 1 10 VAL CB C -4.839 -15.335 7.163 1.00 . A A . 10 VAL CB 1 1 13 3305 1 1 10 VAL CG1 C -3.342 -15.212 7.522 1.00 . A A . 10 VAL CG1 1 1 13 3306 1 1 10 VAL CG2 C -5.567 -14.053 7.636 1.00 . A A . 10 VAL CG2 1 1 13 3307 1 1 10 VAL H H -5.513 -13.893 4.549 1.00 . A A . 10 VAL H 1 1 13 3308 1 1 10 VAL HA H -4.371 -16.587 5.449 1.00 . A A . 10 VAL HA 1 1 13 3309 1 1 10 VAL HB H -5.227 -16.158 7.794 1.00 . A A . 10 VAL HB 1 1 13 3310 1 1 10 VAL HG11 H -2.782 -16.130 7.265 1.00 . A A . 10 VAL HG11 1 1 13 3311 1 1 10 VAL HG12 H -2.852 -14.377 6.987 1.00 . A A . 10 VAL HG12 1 1 13 3312 1 1 10 VAL HG13 H -3.187 -15.040 8.603 1.00 . A A . 10 VAL HG13 1 1 13 3313 1 1 10 VAL HG21 H -6.662 -14.136 7.524 1.00 . A A . 10 VAL HG21 1 1 13 3314 1 1 10 VAL HG22 H -5.380 -13.847 8.707 1.00 . A A . 10 VAL HG22 1 1 13 3315 1 1 10 VAL HG23 H -5.238 -13.159 7.074 1.00 . A A . 10 VAL HG23 1 1 13 3316 1 1 10 VAL N N -4.851 -14.672 4.671 1.00 . A A . 10 VAL N 1 1 13 3317 1 1 10 VAL O O -6.579 -17.667 5.581 1.00 . A A . 10 VAL O 1 1 13 3318 1 1 11 ARG C C -9.197 -17.191 3.901 1.00 . A A . 11 ARG C 1 1 13 3319 1 1 11 ARG CA C -8.958 -16.212 5.105 1.00 . A A . 11 ARG CA 1 1 13 3320 1 1 11 ARG CB C -9.985 -15.042 5.044 1.00 . A A . 11 ARG CB 1 1 13 3321 1 1 11 ARG CD C -9.292 -12.720 6.124 1.00 . A A . 11 ARG CD 1 1 13 3322 1 1 11 ARG CG C -10.079 -14.052 6.244 1.00 . A A . 11 ARG CG 1 1 13 3323 1 1 11 ARG CZ C -10.735 -11.076 4.866 1.00 . A A . 11 ARG CZ 1 1 13 3324 1 1 11 ARG H H -7.372 -14.672 5.299 1.00 . A A . 11 ARG H 1 1 13 3325 1 1 11 ARG HA H -9.188 -16.803 6.015 1.00 . A A . 11 ARG HA 1 1 13 3326 1 1 11 ARG HB2 H -9.859 -14.485 4.095 1.00 . A A . 11 ARG HB2 1 1 13 3327 1 1 11 ARG HB3 H -10.989 -15.500 4.936 1.00 . A A . 11 ARG HB3 1 1 13 3328 1 1 11 ARG HD2 H -9.373 -12.131 7.061 1.00 . A A . 11 ARG HD2 1 1 13 3329 1 1 11 ARG HD3 H -8.206 -12.928 6.056 1.00 . A A . 11 ARG HD3 1 1 13 3330 1 1 11 ARG HE H -9.127 -11.931 4.082 1.00 . A A . 11 ARG HE 1 1 13 3331 1 1 11 ARG HG2 H -11.147 -13.812 6.407 1.00 . A A . 11 ARG HG2 1 1 13 3332 1 1 11 ARG HG3 H -9.783 -14.573 7.175 1.00 . A A . 11 ARG HG3 1 1 13 3333 1 1 11 ARG HH11 H -11.414 -11.490 6.656 1.00 . A A . 11 ARG HH11 1 1 13 3334 1 1 11 ARG HH12 H -12.394 -10.288 5.683 1.00 . A A . 11 ARG HH12 1 1 13 3335 1 1 11 ARG HH21 H -10.262 -10.580 2.999 1.00 . A A . 11 ARG HH21 1 1 13 3336 1 1 11 ARG HH22 H -11.747 -9.810 3.711 1.00 . A A . 11 ARG HH22 1 1 13 3337 1 1 11 ARG N N -7.574 -15.672 5.259 1.00 . A A . 11 ARG N 1 1 13 3338 1 1 11 ARG NE N -9.685 -11.896 4.942 1.00 . A A . 11 ARG NE 1 1 13 3339 1 1 11 ARG NH1 N -11.592 -10.901 5.841 1.00 . A A . 11 ARG NH1 1 1 13 3340 1 1 11 ARG NH2 N -10.925 -10.417 3.759 1.00 . A A . 11 ARG NH2 1 1 13 3341 1 1 11 ARG O O -9.899 -18.189 4.030 1.00 . A A . 11 ARG O 1 1 13 3342 1 1 12 NH2 HN1 H -8.864 -17.717 2.037 1.00 . A A . 12 NH2 HN1 1 1 13 3343 1 1 12 NH2 HN2 H -7.977 -16.226 2.650 1.00 . A A . 12 NH2 HN2 1 1 13 3344 1 1 12 NH2 N N -8.691 -16.957 2.702 1.00 . A A . 12 NH2 N 1 1 13 3345 2 2 1 DAO C1 C 1.317 0.771 1.213 1.00 . B A . 13 DAO C1 1 1 13 3346 2 2 1 DAO C10 C -5.643 0.950 6.310 1.00 . B A . 13 DAO C10 1 1 13 3347 2 2 1 DAO C11 C -6.850 0.769 7.252 1.00 . B A . 13 DAO C11 1 1 13 3348 2 2 1 DAO C12 C -7.790 -0.374 6.841 1.00 . B A . 13 DAO C12 1 1 13 3349 2 2 1 DAO C2 C -0.036 0.334 1.759 1.00 . B A . 13 DAO C2 1 1 13 3350 2 2 1 DAO C3 C -0.860 1.350 2.562 1.00 . B A . 13 DAO C3 1 1 13 3351 2 2 1 DAO C4 C -0.325 1.570 3.991 1.00 . B A . 13 DAO C4 1 1 13 3352 2 2 1 DAO C5 C -1.147 2.540 4.872 1.00 . B A . 13 DAO C5 1 1 13 3353 2 2 1 DAO C6 C -2.595 2.094 5.188 1.00 . B A . 13 DAO C6 1 1 13 3354 2 2 1 DAO C7 C -3.657 2.607 4.184 1.00 . B A . 13 DAO C7 1 1 13 3355 2 2 1 DAO C8 C -4.843 1.650 3.927 1.00 . B A . 13 DAO C8 1 1 13 3356 2 2 1 DAO C9 C -5.981 1.638 4.970 1.00 . B A . 13 DAO C9 1 1 13 3357 2 2 1 DAO H101 H -5.155 -0.027 6.131 1.00 . B A . 13 DAO H101 1 1 13 3358 2 2 1 DAO H102 H -4.884 1.557 6.837 1.00 . B A . 13 DAO H102 1 1 13 3359 2 2 1 DAO H111 H -6.478 0.564 8.275 1.00 . B A . 13 DAO H111 1 1 13 3360 2 2 1 DAO H112 H -7.416 1.717 7.338 1.00 . B A . 13 DAO H112 1 1 13 3361 2 2 1 DAO H121 H -7.254 -1.340 6.797 1.00 . B A . 13 DAO H121 1 1 13 3362 2 2 1 DAO H122 H -8.621 -0.490 7.561 1.00 . B A . 13 DAO H122 1 1 13 3363 2 2 1 DAO H123 H -8.244 -0.198 5.848 1.00 . B A . 13 DAO H123 1 1 13 3364 2 2 1 DAO H21 H -0.628 -0.025 0.910 1.00 . B A . 13 DAO H21 1 1 13 3365 2 2 1 DAO H22 H 0.118 -0.565 2.373 1.00 . B A . 13 DAO H22 1 1 13 3366 2 2 1 DAO H31 H -0.929 2.304 2.008 1.00 . B A . 13 DAO H31 1 1 13 3367 2 2 1 DAO H32 H -1.890 0.952 2.620 1.00 . B A . 13 DAO H32 1 1 13 3368 2 2 1 DAO H41 H -0.251 0.586 4.491 1.00 . B A . 13 DAO H41 1 1 13 3369 2 2 1 DAO H42 H 0.716 1.942 3.933 1.00 . B A . 13 DAO H42 1 1 13 3370 2 2 1 DAO H51 H -1.136 3.558 4.438 1.00 . B A . 13 DAO H51 1 1 13 3371 2 2 1 DAO H52 H -0.606 2.648 5.832 1.00 . B A . 13 DAO H52 1 1 13 3372 2 2 1 DAO H61 H -2.628 0.991 5.276 1.00 . B A . 13 DAO H61 1 1 13 3373 2 2 1 DAO H62 H -2.869 2.458 6.196 1.00 . B A . 13 DAO H62 1 1 13 3374 2 2 1 DAO H71 H -4.024 3.603 4.498 1.00 . B A . 13 DAO H71 1 1 13 3375 2 2 1 DAO H72 H -3.177 2.801 3.207 1.00 . B A . 13 DAO H72 1 1 13 3376 2 2 1 DAO H81 H -5.295 1.943 2.959 1.00 . B A . 13 DAO H81 1 1 13 3377 2 2 1 DAO H82 H -4.475 0.621 3.747 1.00 . B A . 13 DAO H82 1 1 13 3378 2 2 1 DAO H91 H -6.846 1.123 4.511 1.00 . B A . 13 DAO H91 1 1 13 3379 2 2 1 DAO H92 H -6.334 2.671 5.154 1.00 . B A . 13 DAO H92 1 1 13 3380 2 2 1 DAO O1 O 1.555 1.920 0.845 1.00 . B A . 13 DAO O1 1 1 14 3381 1 1 1 PHE C C 3.663 -0.363 -2.999 1.00 . A A . 1 PHE C 1 1 14 3382 1 1 1 PHE CA C 4.451 -0.399 -1.659 1.00 . A A . 1 PHE CA 1 1 14 3383 1 1 1 PHE CB C 5.866 -1.050 -1.812 1.00 . A A . 1 PHE CB 1 1 14 3384 1 1 1 PHE CD1 C 7.060 -0.437 0.363 1.00 . A A . 1 PHE CD1 1 1 14 3385 1 1 1 PHE CD2 C 6.762 -2.773 -0.179 1.00 . A A . 1 PHE CD2 1 1 14 3386 1 1 1 PHE CE1 C 7.623 -0.795 1.585 1.00 . A A . 1 PHE CE1 1 1 14 3387 1 1 1 PHE CE2 C 7.329 -3.129 1.040 1.00 . A A . 1 PHE CE2 1 1 14 3388 1 1 1 PHE CG C 6.621 -1.424 -0.524 1.00 . A A . 1 PHE CG 1 1 14 3389 1 1 1 PHE CZ C 7.759 -2.141 1.923 1.00 . A A . 1 PHE CZ 1 1 14 3390 1 1 1 PHE H1 H 4.266 -1.588 0.025 1.00 . A A . 1 PHE H1 1 1 14 3391 1 1 1 PHE HA H 4.614 0.655 -1.382 1.00 . A A . 1 PHE HA 1 1 14 3392 1 1 1 PHE HB2 H 5.795 -1.947 -2.457 1.00 . A A . 1 PHE HB2 1 1 14 3393 1 1 1 PHE HB3 H 6.499 -0.367 -2.407 1.00 . A A . 1 PHE HB3 1 1 14 3394 1 1 1 PHE HD1 H 6.932 0.610 0.124 1.00 . A A . 1 PHE HD1 1 1 14 3395 1 1 1 PHE HD2 H 6.410 -3.551 -0.841 1.00 . A A . 1 PHE HD2 1 1 14 3396 1 1 1 PHE HE1 H 7.932 -0.024 2.272 1.00 . A A . 1 PHE HE1 1 1 14 3397 1 1 1 PHE HE2 H 7.413 -4.175 1.295 1.00 . A A . 1 PHE HE2 1 1 14 3398 1 1 1 PHE HZ H 8.190 -2.418 2.875 1.00 . A A . 1 PHE HZ 1 1 14 3399 1 1 1 PHE N N 3.642 -1.038 -0.574 1.00 . A A . 1 PHE N 1 1 14 3400 1 1 1 PHE O O 3.388 0.709 -3.541 1.00 . A A . 1 PHE O 1 1 14 3401 1 1 2 GLN C C 0.843 -1.471 -4.198 1.00 . A A . 2 GLN C 1 1 14 3402 1 1 2 GLN CA C 2.326 -1.686 -4.643 1.00 . A A . 2 GLN CA 1 1 14 3403 1 1 2 GLN CB C 2.529 -3.072 -5.326 1.00 . A A . 2 GLN CB 1 1 14 3404 1 1 2 GLN CD C 3.716 -2.557 -7.574 1.00 . A A . 2 GLN CD 1 1 14 3405 1 1 2 GLN CG C 3.799 -3.230 -6.197 1.00 . A A . 2 GLN CG 1 1 14 3406 1 1 2 GLN H H 3.550 -2.307 -2.874 1.00 . A A . 2 GLN H 1 1 14 3407 1 1 2 GLN HA H 2.527 -0.903 -5.399 1.00 . A A . 2 GLN HA 1 1 14 3408 1 1 2 GLN HB2 H 2.524 -3.868 -4.555 1.00 . A A . 2 GLN HB2 1 1 14 3409 1 1 2 GLN HB3 H 1.648 -3.312 -5.955 1.00 . A A . 2 GLN HB3 1 1 14 3410 1 1 2 GLN HE21 H 5.061 -1.160 -7.068 1.00 . A A . 2 GLN HE21 1 1 14 3411 1 1 2 GLN HE22 H 4.320 -1.114 -8.754 1.00 . A A . 2 GLN HE22 1 1 14 3412 1 1 2 GLN HG2 H 4.692 -2.902 -5.633 1.00 . A A . 2 GLN HG2 1 1 14 3413 1 1 2 GLN HG3 H 3.963 -4.308 -6.380 1.00 . A A . 2 GLN HG3 1 1 14 3414 1 1 2 GLN N N 3.301 -1.548 -3.519 1.00 . A A . 2 GLN N 1 1 14 3415 1 1 2 GLN NE2 N 4.432 -1.484 -7.806 1.00 . A A . 2 GLN NE2 1 1 14 3416 1 1 2 GLN O O 0.148 -0.612 -4.745 1.00 . A A . 2 GLN O 1 1 14 3417 1 1 2 GLN OE1 O 3.001 -2.998 -8.466 1.00 . A A . 2 GLN OE1 1 1 14 3418 1 1 3 TRP C C -1.030 -1.220 -1.345 1.00 . A A . 3 TRP C 1 1 14 3419 1 1 3 TRP CA C -0.980 -2.117 -2.626 1.00 . A A . 3 TRP CA 1 1 14 3420 1 1 3 TRP CB C -1.530 -3.560 -2.422 1.00 . A A . 3 TRP CB 1 1 14 3421 1 1 3 TRP CD1 C -2.157 -5.277 -0.625 1.00 . A A . 3 TRP CD1 1 1 14 3422 1 1 3 TRP CD2 C -0.134 -4.432 -0.246 1.00 . A A . 3 TRP CD2 1 1 14 3423 1 1 3 TRP CE2 C -0.507 -5.309 0.809 1.00 . A A . 3 TRP CE2 1 1 14 3424 1 1 3 TRP CE3 C 1.102 -3.731 -0.170 1.00 . A A . 3 TRP CE3 1 1 14 3425 1 1 3 TRP CG C -1.199 -4.395 -1.157 1.00 . A A . 3 TRP CG 1 1 14 3426 1 1 3 TRP CH2 C 1.530 -4.773 1.989 1.00 . A A . 3 TRP CH2 1 1 14 3427 1 1 3 TRP CZ2 C 0.328 -5.472 1.937 1.00 . A A . 3 TRP CZ2 1 1 14 3428 1 1 3 TRP CZ3 C 1.910 -3.918 0.953 1.00 . A A . 3 TRP CZ3 1 1 14 3429 1 1 3 TRP H H 1.081 -2.872 -2.811 1.00 . A A . 3 TRP H 1 1 14 3430 1 1 3 TRP HA H -1.643 -1.635 -3.373 1.00 . A A . 3 TRP HA 1 1 14 3431 1 1 3 TRP HB2 H -2.632 -3.463 -2.462 1.00 . A A . 3 TRP HB2 1 1 14 3432 1 1 3 TRP HB3 H -1.330 -4.165 -3.319 1.00 . A A . 3 TRP HB3 1 1 14 3433 1 1 3 TRP HD1 H -3.128 -5.453 -1.052 1.00 . A A . 3 TRP HD1 1 1 14 3434 1 1 3 TRP HE1 H -2.409 -6.182 1.302 1.00 . A A . 3 TRP HE1 1 1 14 3435 1 1 3 TRP HE3 H 1.413 -3.035 -0.929 1.00 . A A . 3 TRP HE3 1 1 14 3436 1 1 3 TRP HH2 H 2.173 -4.882 2.851 1.00 . A A . 3 TRP HH2 1 1 14 3437 1 1 3 TRP HZ2 H 0.041 -6.116 2.752 1.00 . A A . 3 TRP HZ2 1 1 14 3438 1 1 3 TRP HZ3 H 2.834 -3.374 1.053 1.00 . A A . 3 TRP HZ3 1 1 14 3439 1 1 3 TRP N N 0.370 -2.261 -3.221 1.00 . A A . 3 TRP N 1 1 14 3440 1 1 3 TRP NE1 N -1.758 -5.840 0.587 1.00 . A A . 3 TRP NE1 1 1 14 3441 1 1 3 TRP O O -0.012 -0.775 -0.808 1.00 . A A . 3 TRP O 1 1 14 3442 1 1 4 GLN C C -3.634 -1.350 1.308 1.00 . A A . 4 GLN C 1 1 14 3443 1 1 4 GLN CA C -2.442 -0.618 0.607 1.00 . A A . 4 GLN CA 1 1 14 3444 1 1 4 GLN CB C -2.378 0.923 0.759 1.00 . A A . 4 GLN CB 1 1 14 3445 1 1 4 GLN CD C -4.166 2.788 1.089 1.00 . A A . 4 GLN CD 1 1 14 3446 1 1 4 GLN CG C -3.542 1.756 0.147 1.00 . A A . 4 GLN CG 1 1 14 3447 1 1 4 GLN H H -2.996 -1.381 -1.412 1.00 . A A . 4 GLN H 1 1 14 3448 1 1 4 GLN HA H -1.576 -0.963 1.199 1.00 . A A . 4 GLN HA 1 1 14 3449 1 1 4 GLN HB2 H -2.248 1.152 1.835 1.00 . A A . 4 GLN HB2 1 1 14 3450 1 1 4 GLN HB3 H -1.424 1.283 0.325 1.00 . A A . 4 GLN HB3 1 1 14 3451 1 1 4 GLN HE21 H -4.448 1.372 2.409 1.00 . A A . 4 GLN HE21 1 1 14 3452 1 1 4 GLN HE22 H -4.862 3.099 2.868 1.00 . A A . 4 GLN HE22 1 1 14 3453 1 1 4 GLN HG2 H -3.169 2.259 -0.763 1.00 . A A . 4 GLN HG2 1 1 14 3454 1 1 4 GLN HG3 H -4.355 1.124 -0.243 1.00 . A A . 4 GLN HG3 1 1 14 3455 1 1 4 GLN N N -2.244 -1.033 -0.812 1.00 . A A . 4 GLN N 1 1 14 3456 1 1 4 GLN NE2 N -4.705 2.342 2.201 1.00 . A A . 4 GLN NE2 1 1 14 3457 1 1 4 GLN O O -3.431 -1.990 2.343 1.00 . A A . 4 GLN O 1 1 14 3458 1 1 4 GLN OE1 O -4.168 3.988 0.851 1.00 . A A . 4 GLN OE1 1 1 14 3459 1 1 5 ARG C C -6.639 -3.099 0.586 1.00 . A A . 5 ARG C 1 1 14 3460 1 1 5 ARG CA C -6.077 -1.877 1.387 1.00 . A A . 5 ARG CA 1 1 14 3461 1 1 5 ARG CB C -7.076 -0.708 1.606 1.00 . A A . 5 ARG CB 1 1 14 3462 1 1 5 ARG CD C -9.188 0.118 2.869 1.00 . A A . 5 ARG CD 1 1 14 3463 1 1 5 ARG CG C -8.362 -1.088 2.384 1.00 . A A . 5 ARG CG 1 1 14 3464 1 1 5 ARG CZ C -9.019 1.711 4.800 1.00 . A A . 5 ARG CZ 1 1 14 3465 1 1 5 ARG H H -4.899 -0.728 -0.102 1.00 . A A . 5 ARG H 1 1 14 3466 1 1 5 ARG HA H -5.830 -2.272 2.397 1.00 . A A . 5 ARG HA 1 1 14 3467 1 1 5 ARG HB2 H -6.557 0.105 2.148 1.00 . A A . 5 ARG HB2 1 1 14 3468 1 1 5 ARG HB3 H -7.359 -0.267 0.629 1.00 . A A . 5 ARG HB3 1 1 14 3469 1 1 5 ARG HD2 H -9.315 0.854 2.047 1.00 . A A . 5 ARG HD2 1 1 14 3470 1 1 5 ARG HD3 H -10.209 -0.229 3.134 1.00 . A A . 5 ARG HD3 1 1 14 3471 1 1 5 ARG HE H -7.628 0.332 4.369 1.00 . A A . 5 ARG HE 1 1 14 3472 1 1 5 ARG HG2 H -8.999 -1.704 1.720 1.00 . A A . 5 ARG HG2 1 1 14 3473 1 1 5 ARG HG3 H -8.122 -1.766 3.228 1.00 . A A . 5 ARG HG3 1 1 14 3474 1 1 5 ARG HH11 H -10.588 2.025 3.661 1.00 . A A . 5 ARG HH11 1 1 14 3475 1 1 5 ARG HH12 H -10.444 3.090 5.141 1.00 . A A . 5 ARG HH12 1 1 14 3476 1 1 5 ARG HH21 H -7.508 1.551 6.078 1.00 . A A . 5 ARG HH21 1 1 14 3477 1 1 5 ARG HH22 H -8.769 2.816 6.433 1.00 . A A . 5 ARG HH22 1 1 14 3478 1 1 5 ARG N N -4.864 -1.273 0.764 1.00 . A A . 5 ARG N 1 1 14 3479 1 1 5 ARG NE N -8.520 0.727 4.051 1.00 . A A . 5 ARG NE 1 1 14 3480 1 1 5 ARG NH1 N -10.134 2.340 4.520 1.00 . A A . 5 ARG NH1 1 1 14 3481 1 1 5 ARG NH2 N -8.364 2.067 5.867 1.00 . A A . 5 ARG NH2 1 1 14 3482 1 1 5 ARG O O -7.780 -3.114 0.117 1.00 . A A . 5 ARG O 1 1 14 3483 1 1 6 ASN C C -5.341 -6.598 0.807 1.00 . A A . 6 ASN C 1 1 14 3484 1 1 6 ASN CA C -6.341 -5.546 0.224 1.00 . A A . 6 ASN CA 1 1 14 3485 1 1 6 ASN CB C -6.625 -5.711 -1.302 1.00 . A A . 6 ASN CB 1 1 14 3486 1 1 6 ASN CG C -7.439 -6.959 -1.673 1.00 . A A . 6 ASN CG 1 1 14 3487 1 1 6 ASN H H -4.916 -3.980 0.912 1.00 . A A . 6 ASN H 1 1 14 3488 1 1 6 ASN HA H -7.299 -5.693 0.762 1.00 . A A . 6 ASN HA 1 1 14 3489 1 1 6 ASN HB2 H -7.185 -4.837 -1.681 1.00 . A A . 6 ASN HB2 1 1 14 3490 1 1 6 ASN HB3 H -5.667 -5.701 -1.856 1.00 . A A . 6 ASN HB3 1 1 14 3491 1 1 6 ASN HD21 H -6.869 -6.804 -3.586 1.00 . A A . 6 ASN HD21 1 1 14 3492 1 1 6 ASN HD22 H -7.973 -8.195 -3.101 1.00 . A A . 6 ASN HD22 1 1 14 3493 1 1 6 ASN N N -5.842 -4.172 0.520 1.00 . A A . 6 ASN N 1 1 14 3494 1 1 6 ASN ND2 N -7.389 -7.375 -2.914 1.00 . A A . 6 ASN ND2 1 1 14 3495 1 1 6 ASN O O -4.707 -7.349 0.062 1.00 . A A . 6 ASN O 1 1 14 3496 1 1 6 ASN OD1 O -8.142 -7.563 -0.868 1.00 . A A . 6 ASN OD1 1 1 14 3497 1 1 7 ILE C C -4.649 -8.908 3.068 1.00 . A A . 7 ILE C 1 1 14 3498 1 1 7 ILE CA C -4.105 -7.464 2.793 1.00 . A A . 7 ILE CA 1 1 14 3499 1 1 7 ILE CB C -3.419 -6.737 4.020 1.00 . A A . 7 ILE CB 1 1 14 3500 1 1 7 ILE CD1 C -2.142 -4.486 4.751 1.00 . A A . 7 ILE CD1 1 1 14 3501 1 1 7 ILE CG1 C -3.125 -5.210 3.811 1.00 . A A . 7 ILE CG1 1 1 14 3502 1 1 7 ILE CG2 C -2.153 -7.531 4.428 1.00 . A A . 7 ILE CG2 1 1 14 3503 1 1 7 ILE H H -5.643 -5.891 2.657 1.00 . A A . 7 ILE H 1 1 14 3504 1 1 7 ILE HA H -3.299 -7.599 2.039 1.00 . A A . 7 ILE HA 1 1 14 3505 1 1 7 ILE HB H -4.111 -6.788 4.882 1.00 . A A . 7 ILE HB 1 1 14 3506 1 1 7 ILE HD11 H -1.109 -4.867 4.635 1.00 . A A . 7 ILE HD11 1 1 14 3507 1 1 7 ILE HD12 H -2.094 -3.405 4.517 1.00 . A A . 7 ILE HD12 1 1 14 3508 1 1 7 ILE HD13 H -2.420 -4.587 5.814 1.00 . A A . 7 ILE HD13 1 1 14 3509 1 1 7 ILE HG12 H -2.774 -5.023 2.785 1.00 . A A . 7 ILE HG12 1 1 14 3510 1 1 7 ILE HG13 H -4.085 -4.661 3.855 1.00 . A A . 7 ILE HG13 1 1 14 3511 1 1 7 ILE HG21 H -1.411 -7.568 3.610 1.00 . A A . 7 ILE HG21 1 1 14 3512 1 1 7 ILE HG22 H -1.654 -7.098 5.313 1.00 . A A . 7 ILE HG22 1 1 14 3513 1 1 7 ILE HG23 H -2.394 -8.575 4.691 1.00 . A A . 7 ILE HG23 1 1 14 3514 1 1 7 ILE N N -5.173 -6.642 2.147 1.00 . A A . 7 ILE N 1 1 14 3515 1 1 7 ILE O O -4.231 -9.850 2.394 1.00 . A A . 7 ILE O 1 1 14 3516 1 1 8 ARG C C -5.791 -11.692 4.117 1.00 . A A . 8 ARG C 1 1 14 3517 1 1 8 ARG CA C -6.473 -10.275 4.146 1.00 . A A . 8 ARG CA 1 1 14 3518 1 1 8 ARG CB C -7.694 -10.140 3.174 1.00 . A A . 8 ARG CB 1 1 14 3519 1 1 8 ARG CD C -9.075 -8.281 4.447 1.00 . A A . 8 ARG CD 1 1 14 3520 1 1 8 ARG CG C -8.476 -8.795 3.116 1.00 . A A . 8 ARG CG 1 1 14 3521 1 1 8 ARG CZ C -11.588 -8.425 4.426 1.00 . A A . 8 ARG CZ 1 1 14 3522 1 1 8 ARG H H -5.857 -8.177 4.443 1.00 . A A . 8 ARG H 1 1 14 3523 1 1 8 ARG HA H -6.914 -10.228 5.159 1.00 . A A . 8 ARG HA 1 1 14 3524 1 1 8 ARG HB2 H -7.336 -10.365 2.149 1.00 . A A . 8 ARG HB2 1 1 14 3525 1 1 8 ARG HB3 H -8.411 -10.956 3.390 1.00 . A A . 8 ARG HB3 1 1 14 3526 1 1 8 ARG HD2 H -8.371 -8.471 5.283 1.00 . A A . 8 ARG HD2 1 1 14 3527 1 1 8 ARG HD3 H -9.143 -7.176 4.435 1.00 . A A . 8 ARG HD3 1 1 14 3528 1 1 8 ARG HE H -10.431 -9.763 5.330 1.00 . A A . 8 ARG HE 1 1 14 3529 1 1 8 ARG HG2 H -7.793 -8.024 2.711 1.00 . A A . 8 ARG HG2 1 1 14 3530 1 1 8 ARG HG3 H -9.265 -8.868 2.340 1.00 . A A . 8 ARG HG3 1 1 14 3531 1 1 8 ARG HH11 H -10.887 -6.974 3.305 1.00 . A A . 8 ARG HH11 1 1 14 3532 1 1 8 ARG HH12 H -12.709 -7.084 3.429 1.00 . A A . 8 ARG HH12 1 1 14 3533 1 1 8 ARG HH21 H -12.505 -9.848 5.469 1.00 . A A . 8 ARG HH21 1 1 14 3534 1 1 8 ARG HH22 H -13.556 -8.648 4.595 1.00 . A A . 8 ARG HH22 1 1 14 3535 1 1 8 ARG N N -5.580 -9.073 4.034 1.00 . A A . 8 ARG N 1 1 14 3536 1 1 8 ARG NE N -10.389 -8.905 4.771 1.00 . A A . 8 ARG NE 1 1 14 3537 1 1 8 ARG NH1 N -11.757 -7.375 3.659 1.00 . A A . 8 ARG NH1 1 1 14 3538 1 1 8 ARG NH2 N -12.650 -9.034 4.869 1.00 . A A . 8 ARG NH2 1 1 14 3539 1 1 8 ARG O O -6.174 -12.575 3.345 1.00 . A A . 8 ARG O 1 1 14 3540 1 1 9 LYS C C -4.722 -14.376 5.679 1.00 . A A . 9 LYS C 1 1 14 3541 1 1 9 LYS CA C -3.982 -13.164 5.002 1.00 . A A . 9 LYS CA 1 1 14 3542 1 1 9 LYS CB C -2.600 -12.829 5.652 1.00 . A A . 9 LYS CB 1 1 14 3543 1 1 9 LYS CD C -0.240 -11.723 5.377 1.00 . A A . 9 LYS CD 1 1 14 3544 1 1 9 LYS CE C -0.081 -11.129 6.793 1.00 . A A . 9 LYS CE 1 1 14 3545 1 1 9 LYS CG C -1.696 -11.841 4.868 1.00 . A A . 9 LYS CG 1 1 14 3546 1 1 9 LYS H H -4.461 -11.044 5.433 1.00 . A A . 9 LYS H 1 1 14 3547 1 1 9 LYS HA H -3.788 -13.477 3.956 1.00 . A A . 9 LYS HA 1 1 14 3548 1 1 9 LYS HB2 H -2.759 -12.469 6.685 1.00 . A A . 9 LYS HB2 1 1 14 3549 1 1 9 LYS HB3 H -2.028 -13.769 5.769 1.00 . A A . 9 LYS HB3 1 1 14 3550 1 1 9 LYS HD2 H 0.243 -12.719 5.317 1.00 . A A . 9 LYS HD2 1 1 14 3551 1 1 9 LYS HD3 H 0.312 -11.100 4.644 1.00 . A A . 9 LYS HD3 1 1 14 3552 1 1 9 LYS HE2 H -0.631 -10.164 6.863 1.00 . A A . 9 LYS HE2 1 1 14 3553 1 1 9 LYS HE3 H -0.562 -11.794 7.544 1.00 . A A . 9 LYS HE3 1 1 14 3554 1 1 9 LYS HG2 H -1.664 -12.156 3.805 1.00 . A A . 9 LYS HG2 1 1 14 3555 1 1 9 LYS HG3 H -2.169 -10.841 4.832 1.00 . A A . 9 LYS HG3 1 1 14 3556 1 1 9 LYS HZ1 H 1.825 -10.297 6.439 1.00 . A A . 9 LYS HZ1 1 1 14 3557 1 1 9 LYS HZ2 H 1.544 -10.552 8.037 1.00 . A A . 9 LYS HZ2 1 1 14 3558 1 1 9 LYS HZ3 H 1.900 -11.814 7.045 1.00 . A A . 9 LYS HZ3 1 1 14 3559 1 1 9 LYS N N -4.787 -11.905 4.987 1.00 . A A . 9 LYS N 1 1 14 3560 1 1 9 LYS NZ N 1.364 -10.938 7.099 1.00 . A A . 9 LYS NZ 1 1 14 3561 1 1 9 LYS O O -5.855 -14.256 6.158 1.00 . A A . 9 LYS O 1 1 14 3562 1 1 10 VAL C C -5.207 -16.647 7.836 1.00 . A A . 10 VAL C 1 1 14 3563 1 1 10 VAL CA C -4.609 -16.793 6.389 1.00 . A A . 10 VAL CA 1 1 14 3564 1 1 10 VAL CB C -3.596 -17.990 6.276 1.00 . A A . 10 VAL CB 1 1 14 3565 1 1 10 VAL CG1 C -3.398 -18.480 4.823 1.00 . A A . 10 VAL CG1 1 1 14 3566 1 1 10 VAL CG2 C -2.205 -17.772 6.922 1.00 . A A . 10 VAL CG2 1 1 14 3567 1 1 10 VAL H H -3.188 -15.583 5.208 1.00 . A A . 10 VAL H 1 1 14 3568 1 1 10 VAL HA H -5.488 -17.084 5.780 1.00 . A A . 10 VAL HA 1 1 14 3569 1 1 10 VAL HB H -4.056 -18.840 6.818 1.00 . A A . 10 VAL HB 1 1 14 3570 1 1 10 VAL HG11 H -2.920 -17.717 4.180 1.00 . A A . 10 VAL HG11 1 1 14 3571 1 1 10 VAL HG12 H -2.764 -19.386 4.775 1.00 . A A . 10 VAL HG12 1 1 14 3572 1 1 10 VAL HG13 H -4.359 -18.748 4.345 1.00 . A A . 10 VAL HG13 1 1 14 3573 1 1 10 VAL HG21 H -1.571 -18.677 6.845 1.00 . A A . 10 VAL HG21 1 1 14 3574 1 1 10 VAL HG22 H -1.643 -16.948 6.446 1.00 . A A . 10 VAL HG22 1 1 14 3575 1 1 10 VAL HG23 H -2.279 -17.543 8.000 1.00 . A A . 10 VAL HG23 1 1 14 3576 1 1 10 VAL N N -4.062 -15.550 5.740 1.00 . A A . 10 VAL N 1 1 14 3577 1 1 10 VAL O O -6.321 -17.114 8.078 1.00 . A A . 10 VAL O 1 1 14 3578 1 1 11 ARG C C -5.646 -16.486 11.038 1.00 . A A . 11 ARG C 1 1 14 3579 1 1 11 ARG CA C -5.105 -15.416 10.028 1.00 . A A . 11 ARG CA 1 1 14 3580 1 1 11 ARG CB C -6.114 -14.266 9.724 1.00 . A A . 11 ARG CB 1 1 14 3581 1 1 11 ARG CD C -6.491 -11.962 8.594 1.00 . A A . 11 ARG CD 1 1 14 3582 1 1 11 ARG CG C -5.476 -12.963 9.176 1.00 . A A . 11 ARG CG 1 1 14 3583 1 1 11 ARG CZ C -7.070 -10.182 10.280 1.00 . A A . 11 ARG CZ 1 1 14 3584 1 1 11 ARG H H -3.601 -15.653 8.398 1.00 . A A . 11 ARG H 1 1 14 3585 1 1 11 ARG HA H -4.284 -14.909 10.565 1.00 . A A . 11 ARG HA 1 1 14 3586 1 1 11 ARG HB2 H -6.885 -14.645 9.023 1.00 . A A . 11 ARG HB2 1 1 14 3587 1 1 11 ARG HB3 H -6.678 -14.017 10.644 1.00 . A A . 11 ARG HB3 1 1 14 3588 1 1 11 ARG HD2 H -5.968 -11.215 7.966 1.00 . A A . 11 ARG HD2 1 1 14 3589 1 1 11 ARG HD3 H -7.137 -12.498 7.868 1.00 . A A . 11 ARG HD3 1 1 14 3590 1 1 11 ARG HE H -8.208 -11.775 9.946 1.00 . A A . 11 ARG HE 1 1 14 3591 1 1 11 ARG HG2 H -4.853 -12.484 9.957 1.00 . A A . 11 ARG HG2 1 1 14 3592 1 1 11 ARG HG3 H -4.768 -13.226 8.368 1.00 . A A . 11 ARG HG3 1 1 14 3593 1 1 11 ARG HH11 H -5.345 -9.888 9.399 1.00 . A A . 11 ARG HH11 1 1 14 3594 1 1 11 ARG HH12 H -5.852 -8.617 10.614 1.00 . A A . 11 ARG HH12 1 1 14 3595 1 1 11 ARG HH21 H -8.759 -10.317 11.317 1.00 . A A . 11 ARG HH21 1 1 14 3596 1 1 11 ARG HH22 H -7.698 -8.876 11.642 1.00 . A A . 11 ARG HH22 1 1 14 3597 1 1 11 ARG N N -4.507 -15.961 8.764 1.00 . A A . 11 ARG N 1 1 14 3598 1 1 11 ARG NE N -7.340 -11.324 9.642 1.00 . A A . 11 ARG NE 1 1 14 3599 1 1 11 ARG NH1 N -5.988 -9.473 10.073 1.00 . A A . 11 ARG NH1 1 1 14 3600 1 1 11 ARG NH2 N -7.925 -9.748 11.160 1.00 . A A . 11 ARG NH2 1 1 14 3601 1 1 11 ARG O O -6.829 -16.565 11.363 1.00 . A A . 11 ARG O 1 1 14 3602 1 1 12 NH2 HN1 H -5.282 -18.023 12.199 1.00 . A A . 12 NH2 HN1 1 1 14 3603 1 1 12 NH2 HN2 H -3.861 -17.373 11.230 1.00 . A A . 12 NH2 HN2 1 1 14 3604 1 1 12 NH2 N N -4.809 -17.328 11.613 1.00 . A A . 12 NH2 N 1 1 14 3605 2 2 1 DAO C1 C 2.798 0.236 0.514 1.00 . B A . 13 DAO C1 1 1 14 3606 2 2 1 DAO C10 C 1.562 4.846 6.574 1.00 . B A . 13 DAO C10 1 1 14 3607 2 2 1 DAO C11 C 0.440 5.775 7.069 1.00 . B A . 13 DAO C11 1 1 14 3608 2 2 1 DAO C12 C -0.885 5.510 6.342 1.00 . B A . 13 DAO C12 1 1 14 3609 2 2 1 DAO C2 C 2.128 -0.369 1.747 1.00 . B A . 13 DAO C2 1 1 14 3610 2 2 1 DAO C3 C 1.905 0.555 2.964 1.00 . B A . 13 DAO C3 1 1 14 3611 2 2 1 DAO C4 C 3.182 0.741 3.803 1.00 . B A . 13 DAO C4 1 1 14 3612 2 2 1 DAO C5 C 2.954 1.653 5.022 1.00 . B A . 13 DAO C5 1 1 14 3613 2 2 1 DAO C6 C 4.192 1.753 5.938 1.00 . B A . 13 DAO C6 1 1 14 3614 2 2 1 DAO C7 C 3.996 2.721 7.125 1.00 . B A . 13 DAO C7 1 1 14 3615 2 2 1 DAO C8 C 4.061 4.224 6.750 1.00 . B A . 13 DAO C8 1 1 14 3616 2 2 1 DAO C9 C 2.904 5.089 7.295 1.00 . B A . 13 DAO C9 1 1 14 3617 2 2 1 DAO H101 H 1.698 4.982 5.483 1.00 . B A . 13 DAO H101 1 1 14 3618 2 2 1 DAO H102 H 1.254 3.790 6.703 1.00 . B A . 13 DAO H102 1 1 14 3619 2 2 1 DAO H111 H 0.295 5.649 8.160 1.00 . B A . 13 DAO H111 1 1 14 3620 2 2 1 DAO H112 H 0.734 6.833 6.926 1.00 . B A . 13 DAO H112 1 1 14 3621 2 2 1 DAO H121 H -1.681 6.190 6.696 1.00 . B A . 13 DAO H121 1 1 14 3622 2 2 1 DAO H122 H -0.792 5.660 5.249 1.00 . B A . 13 DAO H122 1 1 14 3623 2 2 1 DAO H123 H -1.244 4.476 6.504 1.00 . B A . 13 DAO H123 1 1 14 3624 2 2 1 DAO H21 H 1.163 -0.778 1.412 1.00 . B A . 13 DAO H21 1 1 14 3625 2 2 1 DAO H22 H 2.710 -1.257 2.051 1.00 . B A . 13 DAO H22 1 1 14 3626 2 2 1 DAO H31 H 1.505 1.534 2.634 1.00 . B A . 13 DAO H31 1 1 14 3627 2 2 1 DAO H32 H 1.114 0.117 3.603 1.00 . B A . 13 DAO H32 1 1 14 3628 2 2 1 DAO H41 H 3.535 -0.256 4.130 1.00 . B A . 13 DAO H41 1 1 14 3629 2 2 1 DAO H42 H 3.992 1.157 3.172 1.00 . B A . 13 DAO H42 1 1 14 3630 2 2 1 DAO H51 H 2.093 1.286 5.613 1.00 . B A . 13 DAO H51 1 1 14 3631 2 2 1 DAO H52 H 2.663 2.661 4.670 1.00 . B A . 13 DAO H52 1 1 14 3632 2 2 1 DAO H61 H 4.427 0.746 6.332 1.00 . B A . 13 DAO H61 1 1 14 3633 2 2 1 DAO H62 H 5.086 2.050 5.354 1.00 . B A . 13 DAO H62 1 1 14 3634 2 2 1 DAO H71 H 3.052 2.475 7.649 1.00 . B A . 13 DAO H71 1 1 14 3635 2 2 1 DAO H72 H 4.778 2.516 7.883 1.00 . B A . 13 DAO H72 1 1 14 3636 2 2 1 DAO H81 H 5.018 4.636 7.126 1.00 . B A . 13 DAO H81 1 1 14 3637 2 2 1 DAO H82 H 4.130 4.362 5.653 1.00 . B A . 13 DAO H82 1 1 14 3638 2 2 1 DAO H91 H 3.182 6.155 7.188 1.00 . B A . 13 DAO H91 1 1 14 3639 2 2 1 DAO H92 H 2.792 4.928 8.385 1.00 . B A . 13 DAO H92 1 1 14 3640 2 2 1 DAO O1 O 2.778 1.440 0.262 1.00 . B A . 13 DAO O1 1 1 15 3641 1 1 1 PHE C C 3.430 -1.623 -1.492 1.00 . A A . 1 PHE C 1 1 15 3642 1 1 1 PHE CA C 3.727 -1.001 -0.092 1.00 . A A . 1 PHE CA 1 1 15 3643 1 1 1 PHE CB C 5.118 -1.439 0.485 1.00 . A A . 1 PHE CB 1 1 15 3644 1 1 1 PHE CD1 C 5.564 0.011 2.545 1.00 . A A . 1 PHE CD1 1 1 15 3645 1 1 1 PHE CD2 C 5.258 -2.367 2.844 1.00 . A A . 1 PHE CD2 1 1 15 3646 1 1 1 PHE CE1 C 5.660 0.168 3.926 1.00 . A A . 1 PHE CE1 1 1 15 3647 1 1 1 PHE CE2 C 5.354 -2.208 4.223 1.00 . A A . 1 PHE CE2 1 1 15 3648 1 1 1 PHE CG C 5.360 -1.258 1.996 1.00 . A A . 1 PHE CG 1 1 15 3649 1 1 1 PHE CZ C 5.555 -0.941 4.764 1.00 . A A . 1 PHE CZ 1 1 15 3650 1 1 1 PHE H1 H 2.953 -1.341 1.810 1.00 . A A . 1 PHE H1 1 1 15 3651 1 1 1 PHE HA H 3.775 0.098 -0.227 1.00 . A A . 1 PHE HA 1 1 15 3652 1 1 1 PHE HB2 H 5.319 -2.496 0.225 1.00 . A A . 1 PHE HB2 1 1 15 3653 1 1 1 PHE HB3 H 5.907 -0.898 -0.069 1.00 . A A . 1 PHE HB3 1 1 15 3654 1 1 1 PHE HD1 H 5.618 0.881 1.907 1.00 . A A . 1 PHE HD1 1 1 15 3655 1 1 1 PHE HD2 H 5.076 -3.353 2.441 1.00 . A A . 1 PHE HD2 1 1 15 3656 1 1 1 PHE HE1 H 5.798 1.154 4.343 1.00 . A A . 1 PHE HE1 1 1 15 3657 1 1 1 PHE HE2 H 5.258 -3.071 4.866 1.00 . A A . 1 PHE HE2 1 1 15 3658 1 1 1 PHE HZ H 5.621 -0.816 5.836 1.00 . A A . 1 PHE HZ 1 1 15 3659 1 1 1 PHE N N 2.603 -1.307 0.848 1.00 . A A . 1 PHE N 1 1 15 3660 1 1 1 PHE O O 3.298 -0.907 -2.485 1.00 . A A . 1 PHE O 1 1 15 3661 1 1 2 GLN C C 1.205 -3.528 -2.948 1.00 . A A . 2 GLN C 1 1 15 3662 1 1 2 GLN CA C 2.747 -3.691 -2.732 1.00 . A A . 2 GLN CA 1 1 15 3663 1 1 2 GLN CB C 3.111 -5.201 -2.593 1.00 . A A . 2 GLN CB 1 1 15 3664 1 1 2 GLN CD C 5.236 -5.662 -4.038 1.00 . A A . 2 GLN CD 1 1 15 3665 1 1 2 GLN CG C 4.615 -5.576 -2.640 1.00 . A A . 2 GLN CG 1 1 15 3666 1 1 2 GLN H H 3.470 -3.407 -0.641 1.00 . A A . 2 GLN H 1 1 15 3667 1 1 2 GLN HA H 3.225 -3.301 -3.651 1.00 . A A . 2 GLN HA 1 1 15 3668 1 1 2 GLN HB2 H 2.686 -5.586 -1.646 1.00 . A A . 2 GLN HB2 1 1 15 3669 1 1 2 GLN HB3 H 2.584 -5.785 -3.375 1.00 . A A . 2 GLN HB3 1 1 15 3670 1 1 2 GLN HE21 H 5.486 -3.689 -4.105 1.00 . A A . 2 GLN HE21 1 1 15 3671 1 1 2 GLN HE22 H 6.032 -4.698 -5.551 1.00 . A A . 2 GLN HE22 1 1 15 3672 1 1 2 GLN HG2 H 5.208 -4.901 -1.994 1.00 . A A . 2 GLN HG2 1 1 15 3673 1 1 2 GLN HG3 H 4.731 -6.571 -2.175 1.00 . A A . 2 GLN HG3 1 1 15 3674 1 1 2 GLN N N 3.301 -2.963 -1.551 1.00 . A A . 2 GLN N 1 1 15 3675 1 1 2 GLN NE2 N 5.685 -4.565 -4.597 1.00 . A A . 2 GLN NE2 1 1 15 3676 1 1 2 GLN O O 0.763 -3.342 -4.083 1.00 . A A . 2 GLN O 1 1 15 3677 1 1 2 GLN OE1 O 5.329 -6.725 -4.640 1.00 . A A . 2 GLN OE1 1 1 15 3678 1 1 3 TRP C C -1.681 -2.137 -1.812 1.00 . A A . 3 TRP C 1 1 15 3679 1 1 3 TRP CA C -1.087 -3.583 -1.959 1.00 . A A . 3 TRP CA 1 1 15 3680 1 1 3 TRP CB C -1.661 -4.634 -0.956 1.00 . A A . 3 TRP CB 1 1 15 3681 1 1 3 TRP CD1 C -3.010 -3.712 1.047 1.00 . A A . 3 TRP CD1 1 1 15 3682 1 1 3 TRP CD2 C -0.883 -4.094 1.546 1.00 . A A . 3 TRP CD2 1 1 15 3683 1 1 3 TRP CE2 C -1.544 -3.507 2.656 1.00 . A A . 3 TRP CE2 1 1 15 3684 1 1 3 TRP CE3 C 0.489 -4.438 1.633 1.00 . A A . 3 TRP CE3 1 1 15 3685 1 1 3 TRP CG C -1.806 -4.206 0.518 1.00 . A A . 3 TRP CG 1 1 15 3686 1 1 3 TRP CH2 C 0.498 -3.653 3.941 1.00 . A A . 3 TRP CH2 1 1 15 3687 1 1 3 TRP CZ2 C -0.844 -3.279 3.863 1.00 . A A . 3 TRP CZ2 1 1 15 3688 1 1 3 TRP CZ3 C 1.154 -4.222 2.843 1.00 . A A . 3 TRP CZ3 1 1 15 3689 1 1 3 TRP H H 0.911 -3.686 -0.995 1.00 . A A . 3 TRP H 1 1 15 3690 1 1 3 TRP HA H -1.387 -3.938 -2.966 1.00 . A A . 3 TRP HA 1 1 15 3691 1 1 3 TRP HB2 H -2.662 -4.932 -1.320 1.00 . A A . 3 TRP HB2 1 1 15 3692 1 1 3 TRP HB3 H -1.101 -5.575 -1.035 1.00 . A A . 3 TRP HB3 1 1 15 3693 1 1 3 TRP HD1 H -3.926 -3.677 0.485 1.00 . A A . 3 TRP HD1 1 1 15 3694 1 1 3 TRP HE1 H -3.551 -2.747 2.941 1.00 . A A . 3 TRP HE1 1 1 15 3695 1 1 3 TRP HE3 H 1.008 -4.856 0.787 1.00 . A A . 3 TRP HE3 1 1 15 3696 1 1 3 TRP HH2 H 1.041 -3.492 4.862 1.00 . A A . 3 TRP HH2 1 1 15 3697 1 1 3 TRP HZ2 H -1.342 -2.832 4.710 1.00 . A A . 3 TRP HZ2 1 1 15 3698 1 1 3 TRP HZ3 H 2.191 -4.498 2.947 1.00 . A A . 3 TRP HZ3 1 1 15 3699 1 1 3 TRP N N 0.397 -3.652 -1.879 1.00 . A A . 3 TRP N 1 1 15 3700 1 1 3 TRP NE1 N -2.864 -3.234 2.355 1.00 . A A . 3 TRP NE1 1 1 15 3701 1 1 3 TRP O O -0.995 -1.169 -1.477 1.00 . A A . 3 TRP O 1 1 15 3702 1 1 4 GLN C C -4.385 -0.662 -0.340 1.00 . A A . 4 GLN C 1 1 15 3703 1 1 4 GLN CA C -3.780 -0.780 -1.788 1.00 . A A . 4 GLN CA 1 1 15 3704 1 1 4 GLN CB C -4.677 -0.471 -3.031 1.00 . A A . 4 GLN CB 1 1 15 3705 1 1 4 GLN CD C -6.576 -2.252 -2.895 1.00 . A A . 4 GLN CD 1 1 15 3706 1 1 4 GLN CG C -5.477 -1.606 -3.731 1.00 . A A . 4 GLN CG 1 1 15 3707 1 1 4 GLN H H -3.401 -2.864 -2.463 1.00 . A A . 4 GLN H 1 1 15 3708 1 1 4 GLN HA H -3.072 0.059 -1.794 1.00 . A A . 4 GLN HA 1 1 15 3709 1 1 4 GLN HB2 H -5.364 0.362 -2.792 1.00 . A A . 4 GLN HB2 1 1 15 3710 1 1 4 GLN HB3 H -4.012 -0.042 -3.807 1.00 . A A . 4 GLN HB3 1 1 15 3711 1 1 4 GLN HE21 H -5.308 -3.639 -2.317 1.00 . A A . 4 GLN HE21 1 1 15 3712 1 1 4 GLN HE22 H -6.977 -3.588 -1.554 1.00 . A A . 4 GLN HE22 1 1 15 3713 1 1 4 GLN HG2 H -5.952 -1.193 -4.633 1.00 . A A . 4 GLN HG2 1 1 15 3714 1 1 4 GLN HG3 H -4.788 -2.372 -4.138 1.00 . A A . 4 GLN HG3 1 1 15 3715 1 1 4 GLN N N -3.004 -2.033 -2.019 1.00 . A A . 4 GLN N 1 1 15 3716 1 1 4 GLN NE2 N -6.294 -3.371 -2.281 1.00 . A A . 4 GLN NE2 1 1 15 3717 1 1 4 GLN O O -3.678 -0.223 0.568 1.00 . A A . 4 GLN O 1 1 15 3718 1 1 4 GLN OE1 O -7.647 -1.701 -2.675 1.00 . A A . 4 GLN OE1 1 1 15 3719 1 1 5 ARG C C -7.054 -2.268 1.730 1.00 . A A . 5 ARG C 1 1 15 3720 1 1 5 ARG CA C -6.321 -0.959 1.250 1.00 . A A . 5 ARG CA 1 1 15 3721 1 1 5 ARG CB C -7.240 0.292 1.326 1.00 . A A . 5 ARG CB 1 1 15 3722 1 1 5 ARG CD C -8.482 1.781 -0.445 1.00 . A A . 5 ARG CD 1 1 15 3723 1 1 5 ARG CG C -8.367 0.411 0.252 1.00 . A A . 5 ARG CG 1 1 15 3724 1 1 5 ARG CZ C -6.941 3.203 -1.831 1.00 . A A . 5 ARG CZ 1 1 15 3725 1 1 5 ARG H H -6.182 -1.293 -0.945 1.00 . A A . 5 ARG H 1 1 15 3726 1 1 5 ARG HA H -5.546 -0.783 2.016 1.00 . A A . 5 ARG HA 1 1 15 3727 1 1 5 ARG HB2 H -7.702 0.338 2.332 1.00 . A A . 5 ARG HB2 1 1 15 3728 1 1 5 ARG HB3 H -6.583 1.180 1.319 1.00 . A A . 5 ARG HB3 1 1 15 3729 1 1 5 ARG HD2 H -9.292 1.730 -1.202 1.00 . A A . 5 ARG HD2 1 1 15 3730 1 1 5 ARG HD3 H -8.787 2.552 0.292 1.00 . A A . 5 ARG HD3 1 1 15 3731 1 1 5 ARG HE H -6.349 1.597 -0.780 1.00 . A A . 5 ARG HE 1 1 15 3732 1 1 5 ARG HG2 H -8.251 -0.370 -0.525 1.00 . A A . 5 ARG HG2 1 1 15 3733 1 1 5 ARG HG3 H -9.335 0.149 0.723 1.00 . A A . 5 ARG HG3 1 1 15 3734 1 1 5 ARG HH11 H -8.825 3.732 -1.972 1.00 . A A . 5 ARG HH11 1 1 15 3735 1 1 5 ARG HH12 H -7.622 4.800 -2.846 1.00 . A A . 5 ARG HH12 1 1 15 3736 1 1 5 ARG HH21 H -4.988 2.854 -1.776 1.00 . A A . 5 ARG HH21 1 1 15 3737 1 1 5 ARG HH22 H -5.548 4.298 -2.731 1.00 . A A . 5 ARG HH22 1 1 15 3738 1 1 5 ARG N N -5.664 -1.010 -0.104 1.00 . A A . 5 ARG N 1 1 15 3739 1 1 5 ARG NE N -7.176 2.135 -1.071 1.00 . A A . 5 ARG NE 1 1 15 3740 1 1 5 ARG NH1 N -7.883 4.002 -2.264 1.00 . A A . 5 ARG NH1 1 1 15 3741 1 1 5 ARG NH2 N -5.710 3.466 -2.160 1.00 . A A . 5 ARG NH2 1 1 15 3742 1 1 5 ARG O O -8.018 -2.211 2.498 1.00 . A A . 5 ARG O 1 1 15 3743 1 1 6 ASN C C -5.954 -5.780 1.879 1.00 . A A . 6 ASN C 1 1 15 3744 1 1 6 ASN CA C -7.135 -4.767 1.754 1.00 . A A . 6 ASN CA 1 1 15 3745 1 1 6 ASN CB C -8.229 -5.188 0.728 1.00 . A A . 6 ASN CB 1 1 15 3746 1 1 6 ASN CG C -9.090 -6.398 1.116 1.00 . A A . 6 ASN CG 1 1 15 3747 1 1 6 ASN H H -5.787 -3.352 0.681 1.00 . A A . 6 ASN H 1 1 15 3748 1 1 6 ASN HA H -7.620 -4.666 2.747 1.00 . A A . 6 ASN HA 1 1 15 3749 1 1 6 ASN HB2 H -8.936 -4.350 0.578 1.00 . A A . 6 ASN HB2 1 1 15 3750 1 1 6 ASN HB3 H -7.759 -5.347 -0.263 1.00 . A A . 6 ASN HB3 1 1 15 3751 1 1 6 ASN HD21 H -9.177 -6.974 -0.790 1.00 . A A . 6 ASN HD21 1 1 15 3752 1 1 6 ASN HD22 H -10.127 -7.934 0.453 1.00 . A A . 6 ASN HD22 1 1 15 3753 1 1 6 ASN N N -6.578 -3.453 1.322 1.00 . A A . 6 ASN N 1 1 15 3754 1 1 6 ASN ND2 N -9.443 -7.230 0.165 1.00 . A A . 6 ASN ND2 1 1 15 3755 1 1 6 ASN O O -5.480 -6.299 0.863 1.00 . A A . 6 ASN O 1 1 15 3756 1 1 6 ASN OD1 O -9.491 -6.593 2.260 1.00 . A A . 6 ASN OD1 1 1 15 3757 1 1 7 ILE C C -4.654 -8.442 3.191 1.00 . A A . 7 ILE C 1 1 15 3758 1 1 7 ILE CA C -4.258 -6.926 3.318 1.00 . A A . 7 ILE CA 1 1 15 3759 1 1 7 ILE CB C -3.401 -6.635 4.626 1.00 . A A . 7 ILE CB 1 1 15 3760 1 1 7 ILE CD1 C -2.718 -4.965 6.556 1.00 . A A . 7 ILE CD1 1 1 15 3761 1 1 7 ILE CG1 C -3.574 -5.243 5.305 1.00 . A A . 7 ILE CG1 1 1 15 3762 1 1 7 ILE CG2 C -1.917 -6.975 4.336 1.00 . A A . 7 ILE CG2 1 1 15 3763 1 1 7 ILE H H -5.799 -5.432 3.851 1.00 . A A . 7 ILE H 1 1 15 3764 1 1 7 ILE HA H -3.586 -6.710 2.458 1.00 . A A . 7 ILE HA 1 1 15 3765 1 1 7 ILE HB H -3.712 -7.338 5.421 1.00 . A A . 7 ILE HB 1 1 15 3766 1 1 7 ILE HD11 H -2.853 -5.739 7.333 1.00 . A A . 7 ILE HD11 1 1 15 3767 1 1 7 ILE HD12 H -1.639 -4.924 6.315 1.00 . A A . 7 ILE HD12 1 1 15 3768 1 1 7 ILE HD13 H -2.973 -3.990 7.010 1.00 . A A . 7 ILE HD13 1 1 15 3769 1 1 7 ILE HG12 H -3.398 -4.444 4.572 1.00 . A A . 7 ILE HG12 1 1 15 3770 1 1 7 ILE HG13 H -4.633 -5.118 5.599 1.00 . A A . 7 ILE HG13 1 1 15 3771 1 1 7 ILE HG21 H -1.298 -6.953 5.251 1.00 . A A . 7 ILE HG21 1 1 15 3772 1 1 7 ILE HG22 H -1.799 -7.986 3.906 1.00 . A A . 7 ILE HG22 1 1 15 3773 1 1 7 ILE HG23 H -1.467 -6.262 3.621 1.00 . A A . 7 ILE HG23 1 1 15 3774 1 1 7 ILE N N -5.459 -6.050 3.109 1.00 . A A . 7 ILE N 1 1 15 3775 1 1 7 ILE O O -4.377 -9.080 2.173 1.00 . A A . 7 ILE O 1 1 15 3776 1 1 8 ARG C C -5.029 -11.604 3.864 1.00 . A A . 8 ARG C 1 1 15 3777 1 1 8 ARG CA C -5.932 -10.364 4.222 1.00 . A A . 8 ARG CA 1 1 15 3778 1 1 8 ARG CB C -7.303 -10.342 3.468 1.00 . A A . 8 ARG CB 1 1 15 3779 1 1 8 ARG CD C -8.657 -8.787 5.124 1.00 . A A . 8 ARG CD 1 1 15 3780 1 1 8 ARG CG C -8.265 -9.140 3.672 1.00 . A A . 8 ARG CG 1 1 15 3781 1 1 8 ARG CZ C -11.083 -9.254 5.559 1.00 . A A . 8 ARG CZ 1 1 15 3782 1 1 8 ARG H H -5.511 -8.323 4.971 1.00 . A A . 8 ARG H 1 1 15 3783 1 1 8 ARG HA H -6.197 -10.561 5.279 1.00 . A A . 8 ARG HA 1 1 15 3784 1 1 8 ARG HB2 H -7.093 -10.414 2.383 1.00 . A A . 8 ARG HB2 1 1 15 3785 1 1 8 ARG HB3 H -7.855 -11.269 3.709 1.00 . A A . 8 ARG HB3 1 1 15 3786 1 1 8 ARG HD2 H -7.786 -8.909 5.797 1.00 . A A . 8 ARG HD2 1 1 15 3787 1 1 8 ARG HD3 H -8.872 -7.702 5.194 1.00 . A A . 8 ARG HD3 1 1 15 3788 1 1 8 ARG HE H -9.616 -10.401 6.254 1.00 . A A . 8 ARG HE 1 1 15 3789 1 1 8 ARG HG2 H -7.777 -8.251 3.227 1.00 . A A . 8 ARG HG2 1 1 15 3790 1 1 8 ARG HG3 H -9.170 -9.275 3.048 1.00 . A A . 8 ARG HG3 1 1 15 3791 1 1 8 ARG HH11 H -10.793 -7.761 4.305 1.00 . A A . 8 ARG HH11 1 1 15 3792 1 1 8 ARG HH12 H -12.523 -8.055 4.822 1.00 . A A . 8 ARG HH12 1 1 15 3793 1 1 8 ARG HH21 H -11.594 -10.702 6.824 1.00 . A A . 8 ARG HH21 1 1 15 3794 1 1 8 ARG HH22 H -12.932 -9.660 6.165 1.00 . A A . 8 ARG HH22 1 1 15 3795 1 1 8 ARG N N -5.305 -9.003 4.232 1.00 . A A . 8 ARG N 1 1 15 3796 1 1 8 ARG NE N -9.793 -9.594 5.649 1.00 . A A . 8 ARG NE 1 1 15 3797 1 1 8 ARG NH1 N -11.522 -8.257 4.827 1.00 . A A . 8 ARG NH1 1 1 15 3798 1 1 8 ARG NH2 N -11.954 -9.952 6.231 1.00 . A A . 8 ARG NH2 1 1 15 3799 1 1 8 ARG O O -5.538 -12.639 3.413 1.00 . A A . 8 ARG O 1 1 15 3800 1 1 9 LYS C C -2.706 -13.767 4.867 1.00 . A A . 9 LYS C 1 1 15 3801 1 1 9 LYS CA C -2.739 -12.627 3.789 1.00 . A A . 9 LYS CA 1 1 15 3802 1 1 9 LYS CB C -1.388 -11.917 3.485 1.00 . A A . 9 LYS CB 1 1 15 3803 1 1 9 LYS CD C 0.949 -12.074 2.363 1.00 . A A . 9 LYS CD 1 1 15 3804 1 1 9 LYS CE C 0.780 -11.619 0.896 1.00 . A A . 9 LYS CE 1 1 15 3805 1 1 9 LYS CG C -0.253 -12.839 2.971 1.00 . A A . 9 LYS CG 1 1 15 3806 1 1 9 LYS H H -3.405 -10.617 4.460 1.00 . A A . 9 LYS H 1 1 15 3807 1 1 9 LYS HA H -3.051 -13.097 2.833 1.00 . A A . 9 LYS HA 1 1 15 3808 1 1 9 LYS HB2 H -1.570 -11.119 2.738 1.00 . A A . 9 LYS HB2 1 1 15 3809 1 1 9 LYS HB3 H -1.033 -11.386 4.391 1.00 . A A . 9 LYS HB3 1 1 15 3810 1 1 9 LYS HD2 H 1.165 -11.189 2.996 1.00 . A A . 9 LYS HD2 1 1 15 3811 1 1 9 LYS HD3 H 1.867 -12.688 2.468 1.00 . A A . 9 LYS HD3 1 1 15 3812 1 1 9 LYS HE2 H -0.210 -11.131 0.752 1.00 . A A . 9 LYS HE2 1 1 15 3813 1 1 9 LYS HE3 H 1.518 -10.817 0.671 1.00 . A A . 9 LYS HE3 1 1 15 3814 1 1 9 LYS HG2 H 0.110 -13.446 3.826 1.00 . A A . 9 LYS HG2 1 1 15 3815 1 1 9 LYS HG3 H -0.646 -13.586 2.255 1.00 . A A . 9 LYS HG3 1 1 15 3816 1 1 9 LYS HZ1 H 0.324 -13.543 0.161 1.00 . A A . 9 LYS HZ1 1 1 15 3817 1 1 9 LYS HZ2 H 0.812 -12.521 -1.032 1.00 . A A . 9 LYS HZ2 1 1 15 3818 1 1 9 LYS HZ3 H 1.907 -13.168 0.010 1.00 . A A . 9 LYS HZ3 1 1 15 3819 1 1 9 LYS N N -3.707 -11.542 4.134 1.00 . A A . 9 LYS N 1 1 15 3820 1 1 9 LYS NZ N 0.962 -12.764 -0.043 1.00 . A A . 9 LYS NZ 1 1 15 3821 1 1 9 LYS O O -1.738 -13.961 5.605 1.00 . A A . 9 LYS O 1 1 15 3822 1 1 10 VAL C C -5.025 -16.702 5.387 1.00 . A A . 10 VAL C 1 1 15 3823 1 1 10 VAL CA C -4.114 -15.553 5.948 1.00 . A A . 10 VAL CA 1 1 15 3824 1 1 10 VAL CB C -4.698 -14.982 7.296 1.00 . A A . 10 VAL CB 1 1 15 3825 1 1 10 VAL CG1 C -3.635 -14.292 8.179 1.00 . A A . 10 VAL CG1 1 1 15 3826 1 1 10 VAL CG2 C -5.919 -14.039 7.173 1.00 . A A . 10 VAL CG2 1 1 15 3827 1 1 10 VAL H H -4.551 -14.107 4.317 1.00 . A A . 10 VAL H 1 1 15 3828 1 1 10 VAL HA H -3.163 -16.066 6.197 1.00 . A A . 10 VAL HA 1 1 15 3829 1 1 10 VAL HB H -5.041 -15.857 7.884 1.00 . A A . 10 VAL HB 1 1 15 3830 1 1 10 VAL HG11 H -2.749 -14.936 8.333 1.00 . A A . 10 VAL HG11 1 1 15 3831 1 1 10 VAL HG12 H -3.268 -13.349 7.733 1.00 . A A . 10 VAL HG12 1 1 15 3832 1 1 10 VAL HG13 H -4.025 -14.046 9.184 1.00 . A A . 10 VAL HG13 1 1 15 3833 1 1 10 VAL HG21 H -5.670 -13.112 6.624 1.00 . A A . 10 VAL HG21 1 1 15 3834 1 1 10 VAL HG22 H -6.763 -14.521 6.650 1.00 . A A . 10 VAL HG22 1 1 15 3835 1 1 10 VAL HG23 H -6.300 -13.733 8.166 1.00 . A A . 10 VAL HG23 1 1 15 3836 1 1 10 VAL N N -3.818 -14.511 4.913 1.00 . A A . 10 VAL N 1 1 15 3837 1 1 10 VAL O O -4.792 -17.871 5.704 1.00 . A A . 10 VAL O 1 1 15 3838 1 1 11 ARG C C -6.449 -18.332 2.995 1.00 . A A . 11 ARG C 1 1 15 3839 1 1 11 ARG CA C -7.056 -17.380 4.081 1.00 . A A . 11 ARG CA 1 1 15 3840 1 1 11 ARG CB C -8.310 -16.648 3.513 1.00 . A A . 11 ARG CB 1 1 15 3841 1 1 11 ARG CD C -8.764 -14.123 4.063 1.00 . A A . 11 ARG CD 1 1 15 3842 1 1 11 ARG CG C -9.046 -15.607 4.407 1.00 . A A . 11 ARG CG 1 1 15 3843 1 1 11 ARG CZ C -8.837 -13.479 1.620 1.00 . A A . 11 ARG CZ 1 1 15 3844 1 1 11 ARG H H -6.214 -15.381 4.509 1.00 . A A . 11 ARG H 1 1 15 3845 1 1 11 ARG HA H -7.406 -17.989 4.939 1.00 . A A . 11 ARG HA 1 1 15 3846 1 1 11 ARG HB2 H -8.058 -16.193 2.535 1.00 . A A . 11 ARG HB2 1 1 15 3847 1 1 11 ARG HB3 H -9.046 -17.430 3.241 1.00 . A A . 11 ARG HB3 1 1 15 3848 1 1 11 ARG HD2 H -9.164 -13.487 4.878 1.00 . A A . 11 ARG HD2 1 1 15 3849 1 1 11 ARG HD3 H -7.678 -13.915 4.078 1.00 . A A . 11 ARG HD3 1 1 15 3850 1 1 11 ARG HE H -10.457 -13.785 2.712 1.00 . A A . 11 ARG HE 1 1 15 3851 1 1 11 ARG HG2 H -10.138 -15.791 4.360 1.00 . A A . 11 ARG HG2 1 1 15 3852 1 1 11 ARG HG3 H -8.800 -15.794 5.471 1.00 . A A . 11 ARG HG3 1 1 15 3853 1 1 11 ARG HH11 H -6.968 -13.424 2.310 1.00 . A A . 11 ARG HH11 1 1 15 3854 1 1 11 ARG HH12 H -7.189 -13.194 0.517 1.00 . A A . 11 ARG HH12 1 1 15 3855 1 1 11 ARG HH21 H -10.599 -13.412 0.698 1.00 . A A . 11 ARG HH21 1 1 15 3856 1 1 11 ARG HH22 H -9.117 -13.143 -0.319 1.00 . A A . 11 ARG HH22 1 1 15 3857 1 1 11 ARG N N -6.070 -16.388 4.590 1.00 . A A . 11 ARG N 1 1 15 3858 1 1 11 ARG NE N -9.437 -13.728 2.788 1.00 . A A . 11 ARG NE 1 1 15 3859 1 1 11 ARG NH1 N -7.540 -13.379 1.457 1.00 . A A . 11 ARG NH1 1 1 15 3860 1 1 11 ARG NH2 N -9.590 -13.319 0.570 1.00 . A A . 11 ARG NH2 1 1 15 3861 1 1 11 ARG O O -6.239 -17.969 1.839 1.00 . A A . 11 ARG O 1 1 15 3862 1 1 12 NH2 HN1 H -5.686 -20.076 2.545 1.00 . A A . 12 NH2 HN1 1 1 15 3863 1 1 12 NH2 HN2 H -6.093 -19.790 4.311 1.00 . A A . 12 NH2 HN2 1 1 15 3864 1 1 12 NH2 N N -6.146 -19.575 3.310 1.00 . A A . 12 NH2 N 1 1 15 3865 2 2 1 DAO C1 C 1.295 -0.124 0.804 1.00 . B A . 13 DAO C1 1 1 15 3866 2 2 1 DAO C10 C 0.732 7.809 6.521 1.00 . B A . 13 DAO C10 1 1 15 3867 2 2 1 DAO C11 C 0.804 9.220 5.910 1.00 . B A . 13 DAO C11 1 1 15 3868 2 2 1 DAO C12 C 0.500 10.314 6.942 1.00 . B A . 13 DAO C12 1 1 15 3869 2 2 1 DAO C2 C 0.113 -0.542 1.667 1.00 . B A . 13 DAO C2 1 1 15 3870 2 2 1 DAO C3 C -0.686 0.527 2.428 1.00 . B A . 13 DAO C3 1 1 15 3871 2 2 1 DAO C4 C 0.136 1.249 3.514 1.00 . B A . 13 DAO C4 1 1 15 3872 2 2 1 DAO C5 C -0.759 1.939 4.562 1.00 . B A . 13 DAO C5 1 1 15 3873 2 2 1 DAO C6 C -0.016 2.852 5.559 1.00 . B A . 13 DAO C6 1 1 15 3874 2 2 1 DAO C7 C 0.385 4.223 4.969 1.00 . B A . 13 DAO C7 1 1 15 3875 2 2 1 DAO C8 C 0.656 5.288 6.052 1.00 . B A . 13 DAO C8 1 1 15 3876 2 2 1 DAO C9 C 0.851 6.698 5.459 1.00 . B A . 13 DAO C9 1 1 15 3877 2 2 1 DAO H101 H -0.229 7.695 7.061 1.00 . B A . 13 DAO H101 1 1 15 3878 2 2 1 DAO H102 H 1.521 7.688 7.289 1.00 . B A . 13 DAO H102 1 1 15 3879 2 2 1 DAO H111 H 1.804 9.391 5.466 1.00 . B A . 13 DAO H111 1 1 15 3880 2 2 1 DAO H112 H 0.087 9.310 5.071 1.00 . B A . 13 DAO H112 1 1 15 3881 2 2 1 DAO H121 H 0.555 11.321 6.489 1.00 . B A . 13 DAO H121 1 1 15 3882 2 2 1 DAO H122 H -0.518 10.207 7.364 1.00 . B A . 13 DAO H122 1 1 15 3883 2 2 1 DAO H123 H 1.212 10.296 7.788 1.00 . B A . 13 DAO H123 1 1 15 3884 2 2 1 DAO H21 H -0.572 -1.111 1.026 1.00 . B A . 13 DAO H21 1 1 15 3885 2 2 1 DAO H22 H 0.482 -1.280 2.397 1.00 . B A . 13 DAO H22 1 1 15 3886 2 2 1 DAO H31 H -1.120 1.252 1.714 1.00 . B A . 13 DAO H31 1 1 15 3887 2 2 1 DAO H32 H -1.553 0.012 2.887 1.00 . B A . 13 DAO H32 1 1 15 3888 2 2 1 DAO H41 H 0.795 0.518 4.019 1.00 . B A . 13 DAO H41 1 1 15 3889 2 2 1 DAO H42 H 0.815 1.979 3.033 1.00 . B A . 13 DAO H42 1 1 15 3890 2 2 1 DAO H51 H -1.292 1.154 5.133 1.00 . B A . 13 DAO H51 1 1 15 3891 2 2 1 DAO H52 H -1.562 2.515 4.062 1.00 . B A . 13 DAO H52 1 1 15 3892 2 2 1 DAO H61 H -0.690 3.012 6.423 1.00 . B A . 13 DAO H61 1 1 15 3893 2 2 1 DAO H62 H 0.870 2.339 5.982 1.00 . B A . 13 DAO H62 1 1 15 3894 2 2 1 DAO H71 H 1.266 4.110 4.309 1.00 . B A . 13 DAO H71 1 1 15 3895 2 2 1 DAO H72 H -0.429 4.587 4.311 1.00 . B A . 13 DAO H72 1 1 15 3896 2 2 1 DAO H81 H -0.199 5.304 6.757 1.00 . B A . 13 DAO H81 1 1 15 3897 2 2 1 DAO H82 H 1.536 5.004 6.662 1.00 . B A . 13 DAO H82 1 1 15 3898 2 2 1 DAO H91 H 0.092 6.878 4.672 1.00 . B A . 13 DAO H91 1 1 15 3899 2 2 1 DAO H92 H 1.830 6.759 4.944 1.00 . B A . 13 DAO H92 1 1 15 3900 2 2 1 DAO O1 O 1.330 0.924 0.161 1.00 . B A . 13 DAO O1 1 1 16 3901 1 1 1 PHE C C 3.592 -2.237 -1.547 1.00 . A A . 1 PHE C 1 1 16 3902 1 1 1 PHE CA C 3.959 -1.905 -0.069 1.00 . A A . 1 PHE CA 1 1 16 3903 1 1 1 PHE CB C 5.210 -2.687 0.459 1.00 . A A . 1 PHE CB 1 1 16 3904 1 1 1 PHE CD1 C 5.770 -1.557 2.680 1.00 . A A . 1 PHE CD1 1 1 16 3905 1 1 1 PHE CD2 C 5.143 -3.890 2.694 1.00 . A A . 1 PHE CD2 1 1 16 3906 1 1 1 PHE CE1 C 5.816 -1.564 4.072 1.00 . A A . 1 PHE CE1 1 1 16 3907 1 1 1 PHE CE2 C 5.192 -3.896 4.085 1.00 . A A . 1 PHE CE2 1 1 16 3908 1 1 1 PHE CG C 5.428 -2.719 1.983 1.00 . A A . 1 PHE CG 1 1 16 3909 1 1 1 PHE CZ C 5.528 -2.733 4.774 1.00 . A A . 1 PHE CZ 1 1 16 3910 1 1 1 PHE H1 H 3.045 -2.321 1.755 1.00 . A A . 1 PHE H1 1 1 16 3911 1 1 1 PHE HA H 4.235 -0.833 -0.041 1.00 . A A . 1 PHE HA 1 1 16 3912 1 1 1 PHE HB2 H 5.195 -3.727 0.079 1.00 . A A . 1 PHE HB2 1 1 16 3913 1 1 1 PHE HB3 H 6.113 -2.260 -0.016 1.00 . A A . 1 PHE HB3 1 1 16 3914 1 1 1 PHE HD1 H 5.960 -0.635 2.148 1.00 . A A . 1 PHE HD1 1 1 16 3915 1 1 1 PHE HD2 H 4.851 -4.792 2.176 1.00 . A A . 1 PHE HD2 1 1 16 3916 1 1 1 PHE HE1 H 6.056 -0.654 4.600 1.00 . A A . 1 PHE HE1 1 1 16 3917 1 1 1 PHE HE2 H 4.952 -4.804 4.618 1.00 . A A . 1 PHE HE2 1 1 16 3918 1 1 1 PHE HZ H 5.556 -2.735 5.854 1.00 . A A . 1 PHE HZ 1 1 16 3919 1 1 1 PHE N N 2.754 -2.104 0.797 1.00 . A A . 1 PHE N 1 1 16 3920 1 1 1 PHE O O 3.582 -1.350 -2.401 1.00 . A A . 1 PHE O 1 1 16 3921 1 1 2 GLN C C 1.029 -3.692 -3.153 1.00 . A A . 2 GLN C 1 1 16 3922 1 1 2 GLN CA C 2.585 -3.915 -3.099 1.00 . A A . 2 GLN CA 1 1 16 3923 1 1 2 GLN CB C 3.008 -5.389 -3.358 1.00 . A A . 2 GLN CB 1 1 16 3924 1 1 2 GLN CD C 3.177 -7.336 -5.054 1.00 . A A . 2 GLN CD 1 1 16 3925 1 1 2 GLN CG C 2.636 -5.931 -4.761 1.00 . A A . 2 GLN CG 1 1 16 3926 1 1 2 GLN H H 3.349 -4.135 -1.021 1.00 . A A . 2 GLN H 1 1 16 3927 1 1 2 GLN HA H 3.005 -3.306 -3.925 1.00 . A A . 2 GLN HA 1 1 16 3928 1 1 2 GLN HB2 H 4.108 -5.480 -3.243 1.00 . A A . 2 GLN HB2 1 1 16 3929 1 1 2 GLN HB3 H 2.579 -6.050 -2.580 1.00 . A A . 2 GLN HB3 1 1 16 3930 1 1 2 GLN HE21 H 1.332 -8.073 -5.269 1.00 . A A . 2 GLN HE21 1 1 16 3931 1 1 2 GLN HE22 H 2.772 -9.197 -5.519 1.00 . A A . 2 GLN HE22 1 1 16 3932 1 1 2 GLN HG2 H 1.538 -5.892 -4.895 1.00 . A A . 2 GLN HG2 1 1 16 3933 1 1 2 GLN HG3 H 3.044 -5.253 -5.532 1.00 . A A . 2 GLN HG3 1 1 16 3934 1 1 2 GLN N N 3.246 -3.508 -1.826 1.00 . A A . 2 GLN N 1 1 16 3935 1 1 2 GLN NE2 N 2.327 -8.311 -5.266 1.00 . A A . 2 GLN NE2 1 1 16 3936 1 1 2 GLN O O 0.503 -3.421 -4.235 1.00 . A A . 2 GLN O 1 1 16 3937 1 1 2 GLN OE1 O 4.378 -7.573 -5.113 1.00 . A A . 2 GLN OE1 1 1 16 3938 1 1 3 TRP C C -1.675 -2.190 -1.772 1.00 . A A . 3 TRP C 1 1 16 3939 1 1 3 TRP CA C -1.189 -3.668 -2.001 1.00 . A A . 3 TRP CA 1 1 16 3940 1 1 3 TRP CB C -1.775 -4.721 -1.005 1.00 . A A . 3 TRP CB 1 1 16 3941 1 1 3 TRP CD1 C -2.961 -3.801 1.087 1.00 . A A . 3 TRP CD1 1 1 16 3942 1 1 3 TRP CD2 C -0.867 -4.393 1.499 1.00 . A A . 3 TRP CD2 1 1 16 3943 1 1 3 TRP CE2 C -1.446 -3.816 2.660 1.00 . A A . 3 TRP CE2 1 1 16 3944 1 1 3 TRP CE3 C 0.470 -4.859 1.530 1.00 . A A . 3 TRP CE3 1 1 16 3945 1 1 3 TRP CG C -1.820 -4.358 0.493 1.00 . A A . 3 TRP CG 1 1 16 3946 1 1 3 TRP CH2 C 0.600 -4.217 3.879 1.00 . A A . 3 TRP CH2 1 1 16 3947 1 1 3 TRP CZ2 C -0.699 -3.714 3.856 1.00 . A A . 3 TRP CZ2 1 1 16 3948 1 1 3 TRP CZ3 C 1.174 -4.784 2.736 1.00 . A A . 3 TRP CZ3 1 1 16 3949 1 1 3 TRP H H 0.856 -3.901 -1.184 1.00 . A A . 3 TRP H 1 1 16 3950 1 1 3 TRP HA H -1.580 -3.962 -2.996 1.00 . A A . 3 TRP HA 1 1 16 3951 1 1 3 TRP HB2 H -2.815 -4.930 -1.323 1.00 . A A . 3 TRP HB2 1 1 16 3952 1 1 3 TRP HB3 H -1.292 -5.696 -1.153 1.00 . A A . 3 TRP HB3 1 1 16 3953 1 1 3 TRP HD1 H -3.889 -3.680 0.560 1.00 . A A . 3 TRP HD1 1 1 16 3954 1 1 3 TRP HE1 H -3.320 -2.805 3.006 1.00 . A A . 3 TRP HE1 1 1 16 3955 1 1 3 TRP HE3 H 0.936 -5.244 0.640 1.00 . A A . 3 TRP HE3 1 1 16 3956 1 1 3 TRP HH2 H 1.178 -4.157 4.790 1.00 . A A . 3 TRP HH2 1 1 16 3957 1 1 3 TRP HZ2 H -1.126 -3.256 4.735 1.00 . A A . 3 TRP HZ2 1 1 16 3958 1 1 3 TRP HZ3 H 2.178 -5.164 2.809 1.00 . A A . 3 TRP HZ3 1 1 16 3959 1 1 3 TRP N N 0.290 -3.842 -2.034 1.00 . A A . 3 TRP N 1 1 16 3960 1 1 3 TRP NE1 N -2.740 -3.404 2.410 1.00 . A A . 3 TRP NE1 1 1 16 3961 1 1 3 TRP O O -0.900 -1.273 -1.496 1.00 . A A . 3 TRP O 1 1 16 3962 1 1 4 GLN C C -4.296 -0.686 -0.084 1.00 . A A . 4 GLN C 1 1 16 3963 1 1 4 GLN CA C -3.686 -0.711 -1.536 1.00 . A A . 4 GLN CA 1 1 16 3964 1 1 4 GLN CB C -4.567 -0.271 -2.752 1.00 . A A . 4 GLN CB 1 1 16 3965 1 1 4 GLN CD C -6.460 -2.064 -2.690 1.00 . A A . 4 GLN CD 1 1 16 3966 1 1 4 GLN CG C -5.419 -1.321 -3.524 1.00 . A A . 4 GLN CG 1 1 16 3967 1 1 4 GLN H H -3.506 -2.805 -2.230 1.00 . A A . 4 GLN H 1 1 16 3968 1 1 4 GLN HA H -2.927 0.078 -1.473 1.00 . A A . 4 GLN HA 1 1 16 3969 1 1 4 GLN HB2 H -5.215 0.573 -2.443 1.00 . A A . 4 GLN HB2 1 1 16 3970 1 1 4 GLN HB3 H -3.888 0.189 -3.497 1.00 . A A . 4 GLN HB3 1 1 16 3971 1 1 4 GLN HE21 H -5.250 -3.615 -2.570 1.00 . A A . 4 GLN HE21 1 1 16 3972 1 1 4 GLN HE22 H -6.734 -3.556 -1.493 1.00 . A A . 4 GLN HE22 1 1 16 3973 1 1 4 GLN HG2 H -5.951 -0.815 -4.340 1.00 . A A . 4 GLN HG2 1 1 16 3974 1 1 4 GLN HG3 H -4.756 -2.031 -4.054 1.00 . A A . 4 GLN HG3 1 1 16 3975 1 1 4 GLN N N -3.002 -1.999 -1.856 1.00 . A A . 4 GLN N 1 1 16 3976 1 1 4 GLN NE2 N -6.177 -3.280 -2.303 1.00 . A A . 4 GLN NE2 1 1 16 3977 1 1 4 GLN O O -3.541 -0.548 0.881 1.00 . A A . 4 GLN O 1 1 16 3978 1 1 4 GLN OE1 O -7.467 -1.518 -2.257 1.00 . A A . 4 GLN OE1 1 1 16 3979 1 1 5 ARG C C -7.136 -2.297 1.475 1.00 . A A . 5 ARG C 1 1 16 3980 1 1 5 ARG CA C -6.265 -0.992 1.444 1.00 . A A . 5 ARG CA 1 1 16 3981 1 1 5 ARG CB C -7.002 0.324 1.820 1.00 . A A . 5 ARG CB 1 1 16 3982 1 1 5 ARG CD C -8.122 1.631 3.794 1.00 . A A . 5 ARG CD 1 1 16 3983 1 1 5 ARG CG C -7.799 0.270 3.153 1.00 . A A . 5 ARG CG 1 1 16 3984 1 1 5 ARG CZ C -6.990 3.016 5.555 1.00 . A A . 5 ARG CZ 1 1 16 3985 1 1 5 ARG H H -6.152 -0.961 -0.769 1.00 . A A . 5 ARG H 1 1 16 3986 1 1 5 ARG HA H -5.492 -1.120 2.230 1.00 . A A . 5 ARG HA 1 1 16 3987 1 1 5 ARG HB2 H -6.248 1.134 1.864 1.00 . A A . 5 ARG HB2 1 1 16 3988 1 1 5 ARG HB3 H -7.689 0.616 1.001 1.00 . A A . 5 ARG HB3 1 1 16 3989 1 1 5 ARG HD2 H -8.406 2.374 3.021 1.00 . A A . 5 ARG HD2 1 1 16 3990 1 1 5 ARG HD3 H -9.015 1.503 4.440 1.00 . A A . 5 ARG HD3 1 1 16 3991 1 1 5 ARG HE H -6.040 1.645 4.459 1.00 . A A . 5 ARG HE 1 1 16 3992 1 1 5 ARG HG2 H -8.757 -0.247 2.947 1.00 . A A . 5 ARG HG2 1 1 16 3993 1 1 5 ARG HG3 H -7.300 -0.394 3.887 1.00 . A A . 5 ARG HG3 1 1 16 3994 1 1 5 ARG HH11 H -8.866 3.515 5.254 1.00 . A A . 5 ARG HH11 1 1 16 3995 1 1 5 ARG HH12 H -8.004 4.406 6.599 1.00 . A A . 5 ARG HH12 1 1 16 3996 1 1 5 ARG HH21 H -5.086 2.675 6.006 1.00 . A A . 5 ARG HH21 1 1 16 3997 1 1 5 ARG HH22 H -5.960 3.938 6.983 1.00 . A A . 5 ARG HH22 1 1 16 3998 1 1 5 ARG N N -5.625 -0.815 0.103 1.00 . A A . 5 ARG N 1 1 16 3999 1 1 5 ARG NE N -6.952 2.095 4.591 1.00 . A A . 5 ARG NE 1 1 16 4000 1 1 5 ARG NH1 N -8.059 3.715 5.848 1.00 . A A . 5 ARG NH1 1 1 16 4001 1 1 5 ARG NH2 N -5.908 3.234 6.244 1.00 . A A . 5 ARG NH2 1 1 16 4002 1 1 5 ARG O O -8.368 -2.272 1.530 1.00 . A A . 5 ARG O 1 1 16 4003 1 1 6 ASN C C -5.910 -5.798 1.920 1.00 . A A . 6 ASN C 1 1 16 4004 1 1 6 ASN CA C -7.079 -4.795 1.649 1.00 . A A . 6 ASN CA 1 1 16 4005 1 1 6 ASN CB C -7.948 -5.185 0.411 1.00 . A A . 6 ASN CB 1 1 16 4006 1 1 6 ASN CG C -8.863 -6.395 0.629 1.00 . A A . 6 ASN CG 1 1 16 4007 1 1 6 ASN H H -5.448 -3.311 1.384 1.00 . A A . 6 ASN H 1 1 16 4008 1 1 6 ASN HA H -7.741 -4.765 2.539 1.00 . A A . 6 ASN HA 1 1 16 4009 1 1 6 ASN HB2 H -8.554 -4.322 0.075 1.00 . A A . 6 ASN HB2 1 1 16 4010 1 1 6 ASN HB3 H -7.299 -5.414 -0.454 1.00 . A A . 6 ASN HB3 1 1 16 4011 1 1 6 ASN HD21 H -10.503 -5.256 0.542 1.00 . A A . 6 ASN HD21 1 1 16 4012 1 1 6 ASN HD22 H -10.699 -7.073 0.743 1.00 . A A . 6 ASN HD22 1 1 16 4013 1 1 6 ASN N N -6.457 -3.452 1.480 1.00 . A A . 6 ASN N 1 1 16 4014 1 1 6 ASN ND2 N -10.156 -6.205 0.707 1.00 . A A . 6 ASN ND2 1 1 16 4015 1 1 6 ASN O O -5.317 -6.311 0.966 1.00 . A A . 6 ASN O 1 1 16 4016 1 1 6 ASN OD1 O -8.425 -7.534 0.733 1.00 . A A . 6 ASN OD1 1 1 16 4017 1 1 7 ILE C C -4.779 -8.452 3.294 1.00 . A A . 7 ILE C 1 1 16 4018 1 1 7 ILE CA C -4.374 -6.945 3.511 1.00 . A A . 7 ILE CA 1 1 16 4019 1 1 7 ILE CB C -3.667 -6.684 4.907 1.00 . A A . 7 ILE CB 1 1 16 4020 1 1 7 ILE CD1 C -2.725 -4.919 6.640 1.00 . A A . 7 ILE CD1 1 1 16 4021 1 1 7 ILE CG1 C -3.606 -5.213 5.410 1.00 . A A . 7 ILE CG1 1 1 16 4022 1 1 7 ILE CG2 C -2.270 -7.353 4.865 1.00 . A A . 7 ILE CG2 1 1 16 4023 1 1 7 ILE H H -5.796 -5.293 3.827 1.00 . A A . 7 ILE H 1 1 16 4024 1 1 7 ILE HA H -3.607 -6.708 2.736 1.00 . A A . 7 ILE HA 1 1 16 4025 1 1 7 ILE HB H -4.229 -7.204 5.703 1.00 . A A . 7 ILE HB 1 1 16 4026 1 1 7 ILE HD11 H -2.984 -5.554 7.506 1.00 . A A . 7 ILE HD11 1 1 16 4027 1 1 7 ILE HD12 H -1.653 -5.092 6.418 1.00 . A A . 7 ILE HD12 1 1 16 4028 1 1 7 ILE HD13 H -2.804 -3.863 6.955 1.00 . A A . 7 ILE HD13 1 1 16 4029 1 1 7 ILE HG12 H -3.274 -4.566 4.592 1.00 . A A . 7 ILE HG12 1 1 16 4030 1 1 7 ILE HG13 H -4.629 -4.864 5.635 1.00 . A A . 7 ILE HG13 1 1 16 4031 1 1 7 ILE HG21 H -1.593 -6.826 4.167 1.00 . A A . 7 ILE HG21 1 1 16 4032 1 1 7 ILE HG22 H -1.791 -7.366 5.859 1.00 . A A . 7 ILE HG22 1 1 16 4033 1 1 7 ILE HG23 H -2.322 -8.410 4.543 1.00 . A A . 7 ILE HG23 1 1 16 4034 1 1 7 ILE N N -5.543 -6.055 3.199 1.00 . A A . 7 ILE N 1 1 16 4035 1 1 7 ILE O O -4.555 -9.013 2.221 1.00 . A A . 7 ILE O 1 1 16 4036 1 1 8 ARG C C -5.324 -11.712 3.871 1.00 . A A . 8 ARG C 1 1 16 4037 1 1 8 ARG CA C -6.108 -10.394 4.207 1.00 . A A . 8 ARG CA 1 1 16 4038 1 1 8 ARG CB C -7.451 -10.252 3.425 1.00 . A A . 8 ARG CB 1 1 16 4039 1 1 8 ARG CD C -8.636 -8.630 5.162 1.00 . A A . 8 ARG CD 1 1 16 4040 1 1 8 ARG CG C -8.350 -9.008 3.685 1.00 . A A . 8 ARG CG 1 1 16 4041 1 1 8 ARG CZ C -8.237 -6.566 6.546 1.00 . A A . 8 ARG CZ 1 1 16 4042 1 1 8 ARG H H -5.415 -8.550 5.180 1.00 . A A . 8 ARG H 1 1 16 4043 1 1 8 ARG HA H -6.425 -10.579 5.249 1.00 . A A . 8 ARG HA 1 1 16 4044 1 1 8 ARG HB2 H -7.227 -10.285 2.340 1.00 . A A . 8 ARG HB2 1 1 16 4045 1 1 8 ARG HB3 H -8.056 -11.162 3.604 1.00 . A A . 8 ARG HB3 1 1 16 4046 1 1 8 ARG HD2 H -9.729 -8.528 5.292 1.00 . A A . 8 ARG HD2 1 1 16 4047 1 1 8 ARG HD3 H -8.317 -9.439 5.850 1.00 . A A . 8 ARG HD3 1 1 16 4048 1 1 8 ARG HE H -7.189 -7.030 4.903 1.00 . A A . 8 ARG HE 1 1 16 4049 1 1 8 ARG HG2 H -7.919 -8.153 3.125 1.00 . A A . 8 ARG HG2 1 1 16 4050 1 1 8 ARG HG3 H -9.313 -9.169 3.164 1.00 . A A . 8 ARG HG3 1 1 16 4051 1 1 8 ARG HH11 H -9.629 -7.737 7.289 1.00 . A A . 8 ARG HH11 1 1 16 4052 1 1 8 ARG HH12 H -9.320 -6.177 8.193 1.00 . A A . 8 ARG HH12 1 1 16 4053 1 1 8 ARG HH21 H -6.888 -5.233 5.964 1.00 . A A . 8 ARG HH21 1 1 16 4054 1 1 8 ARG HH22 H -7.838 -4.850 7.465 1.00 . A A . 8 ARG HH22 1 1 16 4055 1 1 8 ARG N N -5.372 -9.099 4.319 1.00 . A A . 8 ARG N 1 1 16 4056 1 1 8 ARG NE N -7.940 -7.361 5.515 1.00 . A A . 8 ARG NE 1 1 16 4057 1 1 8 ARG NH1 N -9.151 -6.848 7.441 1.00 . A A . 8 ARG NH1 1 1 16 4058 1 1 8 ARG NH2 N -7.585 -5.447 6.675 1.00 . A A . 8 ARG NH2 1 1 16 4059 1 1 8 ARG O O -5.873 -12.801 4.063 1.00 . A A . 8 ARG O 1 1 16 4060 1 1 9 LYS C C -2.647 -13.650 4.267 1.00 . A A . 9 LYS C 1 1 16 4061 1 1 9 LYS CA C -3.222 -12.823 3.052 1.00 . A A . 9 LYS CA 1 1 16 4062 1 1 9 LYS CB C -2.148 -12.214 2.100 1.00 . A A . 9 LYS CB 1 1 16 4063 1 1 9 LYS CD C -0.085 -12.496 0.613 1.00 . A A . 9 LYS CD 1 1 16 4064 1 1 9 LYS CE C 1.001 -13.427 0.041 1.00 . A A . 9 LYS CE 1 1 16 4065 1 1 9 LYS CG C -1.245 -13.216 1.342 1.00 . A A . 9 LYS CG 1 1 16 4066 1 1 9 LYS H H -3.807 -10.683 3.155 1.00 . A A . 9 LYS H 1 1 16 4067 1 1 9 LYS HA H -3.842 -13.519 2.454 1.00 . A A . 9 LYS HA 1 1 16 4068 1 1 9 LYS HB2 H -2.634 -11.568 1.339 1.00 . A A . 9 LYS HB2 1 1 16 4069 1 1 9 LYS HB3 H -1.511 -11.530 2.696 1.00 . A A . 9 LYS HB3 1 1 16 4070 1 1 9 LYS HD2 H -0.516 -11.896 -0.214 1.00 . A A . 9 LYS HD2 1 1 16 4071 1 1 9 LYS HD3 H 0.381 -11.738 1.277 1.00 . A A . 9 LYS HD3 1 1 16 4072 1 1 9 LYS HE2 H 0.535 -14.237 -0.564 1.00 . A A . 9 LYS HE2 1 1 16 4073 1 1 9 LYS HE3 H 1.624 -12.860 -0.687 1.00 . A A . 9 LYS HE3 1 1 16 4074 1 1 9 LYS HG2 H -0.840 -13.962 2.050 1.00 . A A . 9 LYS HG2 1 1 16 4075 1 1 9 LYS HG3 H -1.850 -13.801 0.622 1.00 . A A . 9 LYS HG3 1 1 16 4076 1 1 9 LYS HZ1 H 2.597 -14.617 0.798 1.00 . A A . 9 LYS HZ1 1 1 16 4077 1 1 9 LYS HZ2 H 2.332 -13.247 1.671 1.00 . A A . 9 LYS HZ2 1 1 16 4078 1 1 9 LYS HZ3 H 1.313 -14.513 1.821 1.00 . A A . 9 LYS HZ3 1 1 16 4079 1 1 9 LYS N N -4.053 -11.641 3.438 1.00 . A A . 9 LYS N 1 1 16 4080 1 1 9 LYS NZ N 1.858 -13.982 1.129 1.00 . A A . 9 LYS NZ 1 1 16 4081 1 1 9 LYS O O -1.436 -13.838 4.411 1.00 . A A . 9 LYS O 1 1 16 4082 1 1 10 VAL C C -4.390 -16.029 6.498 1.00 . A A . 10 VAL C 1 1 16 4083 1 1 10 VAL CA C -3.206 -15.023 6.298 1.00 . A A . 10 VAL CA 1 1 16 4084 1 1 10 VAL CB C -2.737 -14.228 7.584 1.00 . A A . 10 VAL CB 1 1 16 4085 1 1 10 VAL CG1 C -1.239 -13.856 7.556 1.00 . A A . 10 VAL CG1 1 1 16 4086 1 1 10 VAL CG2 C -3.538 -12.948 7.937 1.00 . A A . 10 VAL CG2 1 1 16 4087 1 1 10 VAL H H -4.510 -13.902 4.875 1.00 . A A . 10 VAL H 1 1 16 4088 1 1 10 VAL HA H -2.364 -15.686 6.013 1.00 . A A . 10 VAL HA 1 1 16 4089 1 1 10 VAL HB H -2.838 -14.921 8.443 1.00 . A A . 10 VAL HB 1 1 16 4090 1 1 10 VAL HG11 H -0.898 -13.444 8.524 1.00 . A A . 10 VAL HG11 1 1 16 4091 1 1 10 VAL HG12 H -0.600 -14.733 7.341 1.00 . A A . 10 VAL HG12 1 1 16 4092 1 1 10 VAL HG13 H -1.013 -13.095 6.786 1.00 . A A . 10 VAL HG13 1 1 16 4093 1 1 10 VAL HG21 H -4.623 -13.125 8.019 1.00 . A A . 10 VAL HG21 1 1 16 4094 1 1 10 VAL HG22 H -3.211 -12.511 8.899 1.00 . A A . 10 VAL HG22 1 1 16 4095 1 1 10 VAL HG23 H -3.404 -12.163 7.167 1.00 . A A . 10 VAL HG23 1 1 16 4096 1 1 10 VAL N N -3.546 -14.175 5.114 1.00 . A A . 10 VAL N 1 1 16 4097 1 1 10 VAL O O -4.419 -17.064 5.830 1.00 . A A . 10 VAL O 1 1 16 4098 1 1 11 ARG C C -6.523 -18.012 7.875 1.00 . A A . 11 ARG C 1 1 16 4099 1 1 11 ARG CA C -6.662 -16.494 7.500 1.00 . A A . 11 ARG CA 1 1 16 4100 1 1 11 ARG CB C -7.599 -16.238 6.276 1.00 . A A . 11 ARG CB 1 1 16 4101 1 1 11 ARG CD C -9.081 -14.149 6.905 1.00 . A A . 11 ARG CD 1 1 16 4102 1 1 11 ARG CG C -8.038 -14.781 5.959 1.00 . A A . 11 ARG CG 1 1 16 4103 1 1 11 ARG CZ C -9.103 -13.110 9.191 1.00 . A A . 11 ARG CZ 1 1 16 4104 1 1 11 ARG H H -5.181 -14.873 7.895 1.00 . A A . 11 ARG H 1 1 16 4105 1 1 11 ARG HA H -7.194 -16.064 8.368 1.00 . A A . 11 ARG HA 1 1 16 4106 1 1 11 ARG HB2 H -7.099 -16.655 5.379 1.00 . A A . 11 ARG HB2 1 1 16 4107 1 1 11 ARG HB3 H -8.509 -16.863 6.378 1.00 . A A . 11 ARG HB3 1 1 16 4108 1 1 11 ARG HD2 H -9.600 -13.331 6.362 1.00 . A A . 11 ARG HD2 1 1 16 4109 1 1 11 ARG HD3 H -9.866 -14.897 7.143 1.00 . A A . 11 ARG HD3 1 1 16 4110 1 1 11 ARG HE H -7.430 -13.587 8.229 1.00 . A A . 11 ARG HE 1 1 16 4111 1 1 11 ARG HG2 H -7.153 -14.125 5.840 1.00 . A A . 11 ARG HG2 1 1 16 4112 1 1 11 ARG HG3 H -8.480 -14.795 4.943 1.00 . A A . 11 ARG HG3 1 1 16 4113 1 1 11 ARG HH11 H -10.896 -13.386 8.435 1.00 . A A . 11 ARG HH11 1 1 16 4114 1 1 11 ARG HH12 H -10.834 -12.655 10.111 1.00 . A A . 11 ARG HH12 1 1 16 4115 1 1 11 ARG HH21 H -7.393 -12.766 10.148 1.00 . A A . 11 ARG HH21 1 1 16 4116 1 1 11 ARG HH22 H -8.933 -12.329 11.011 1.00 . A A . 11 ARG HH22 1 1 16 4117 1 1 11 ARG N N -5.379 -15.727 7.369 1.00 . A A . 11 ARG N 1 1 16 4118 1 1 11 ARG NE N -8.448 -13.599 8.137 1.00 . A A . 11 ARG NE 1 1 16 4119 1 1 11 ARG NH1 N -10.410 -13.030 9.260 1.00 . A A . 11 ARG NH1 1 1 16 4120 1 1 11 ARG NH2 N -8.410 -12.686 10.208 1.00 . A A . 11 ARG NH2 1 1 16 4121 1 1 11 ARG O O -6.923 -18.921 7.153 1.00 . A A . 11 ARG O 1 1 16 4122 1 1 12 NH2 HN1 H -5.902 -19.372 9.141 1.00 . A A . 12 NH2 HN1 1 1 16 4123 1 1 12 NH2 HN2 H -5.512 -17.627 9.564 1.00 . A A . 12 NH2 HN2 1 1 16 4124 1 1 12 NH2 N N -5.994 -18.357 9.034 1.00 . A A . 12 NH2 N 1 1 16 4125 2 2 1 DAO C1 C 1.725 -0.716 0.870 1.00 . B A . 13 DAO C1 1 1 16 4126 2 2 1 DAO C10 C 2.294 5.958 5.560 1.00 . B A . 13 DAO C10 1 1 16 4127 2 2 1 DAO C11 C 2.933 7.358 5.469 1.00 . B A . 13 DAO C11 1 1 16 4128 2 2 1 DAO C12 C 4.085 7.451 4.455 1.00 . B A . 13 DAO C12 1 1 16 4129 2 2 1 DAO C2 C 0.436 -0.972 1.640 1.00 . B A . 13 DAO C2 1 1 16 4130 2 2 1 DAO C3 C -0.110 0.176 2.502 1.00 . B A . 13 DAO C3 1 1 16 4131 2 2 1 DAO C4 C 0.570 0.254 3.884 1.00 . B A . 13 DAO C4 1 1 16 4132 2 2 1 DAO C5 C 0.238 1.541 4.673 1.00 . B A . 13 DAO C5 1 1 16 4133 2 2 1 DAO C6 C 1.113 2.756 4.282 1.00 . B A . 13 DAO C6 1 1 16 4134 2 2 1 DAO C7 C 2.515 2.771 4.941 1.00 . B A . 13 DAO C7 1 1 16 4135 2 2 1 DAO C8 C 2.575 3.478 6.319 1.00 . B A . 13 DAO C8 1 1 16 4136 2 2 1 DAO C9 C 3.159 4.909 6.294 1.00 . B A . 13 DAO C9 1 1 16 4137 2 2 1 DAO H101 H 2.046 5.606 4.540 1.00 . B A . 13 DAO H101 1 1 16 4138 2 2 1 DAO H102 H 1.320 6.040 6.080 1.00 . B A . 13 DAO H102 1 1 16 4139 2 2 1 DAO H111 H 2.153 8.088 5.178 1.00 . B A . 13 DAO H111 1 1 16 4140 2 2 1 DAO H112 H 3.278 7.690 6.468 1.00 . B A . 13 DAO H112 1 1 16 4141 2 2 1 DAO H121 H 3.762 7.158 3.438 1.00 . B A . 13 DAO H121 1 1 16 4142 2 2 1 DAO H122 H 4.480 8.482 4.385 1.00 . B A . 13 DAO H122 1 1 16 4143 2 2 1 DAO H123 H 4.935 6.799 4.729 1.00 . B A . 13 DAO H123 1 1 16 4144 2 2 1 DAO H21 H -0.325 -1.284 0.913 1.00 . B A . 13 DAO H21 1 1 16 4145 2 2 1 DAO H22 H 0.589 -1.862 2.269 1.00 . B A . 13 DAO H22 1 1 16 4146 2 2 1 DAO H31 H -0.021 1.126 1.944 1.00 . B A . 13 DAO H31 1 1 16 4147 2 2 1 DAO H32 H -1.196 0.013 2.641 1.00 . B A . 13 DAO H32 1 1 16 4148 2 2 1 DAO H41 H 0.254 -0.635 4.458 1.00 . B A . 13 DAO H41 1 1 16 4149 2 2 1 DAO H42 H 1.668 0.148 3.783 1.00 . B A . 13 DAO H42 1 1 16 4150 2 2 1 DAO H51 H 0.342 1.350 5.759 1.00 . B A . 13 DAO H51 1 1 16 4151 2 2 1 DAO H52 H -0.831 1.793 4.538 1.00 . B A . 13 DAO H52 1 1 16 4152 2 2 1 DAO H61 H 1.227 2.787 3.181 1.00 . B A . 13 DAO H61 1 1 16 4153 2 2 1 DAO H62 H 0.576 3.692 4.524 1.00 . B A . 13 DAO H62 1 1 16 4154 2 2 1 DAO H71 H 2.892 1.735 5.042 1.00 . B A . 13 DAO H71 1 1 16 4155 2 2 1 DAO H72 H 3.238 3.242 4.248 1.00 . B A . 13 DAO H72 1 1 16 4156 2 2 1 DAO H81 H 1.584 3.475 6.815 1.00 . B A . 13 DAO H81 1 1 16 4157 2 2 1 DAO H82 H 3.212 2.871 6.990 1.00 . B A . 13 DAO H82 1 1 16 4158 2 2 1 DAO H91 H 4.172 4.873 5.848 1.00 . B A . 13 DAO H91 1 1 16 4159 2 2 1 DAO H92 H 3.322 5.247 7.335 1.00 . B A . 13 DAO H92 1 1 16 4160 2 2 1 DAO O1 O 1.998 0.371 0.362 1.00 . B A . 13 DAO O1 1 1 17 4161 1 1 1 PHE C C 2.460 0.632 -1.338 1.00 . A A . 1 PHE C 1 1 17 4162 1 1 1 PHE CA C 2.130 1.775 -0.330 1.00 . A A . 1 PHE CA 1 1 17 4163 1 1 1 PHE CB C 3.416 2.405 0.305 1.00 . A A . 1 PHE CB 1 1 17 4164 1 1 1 PHE CD1 C 2.645 4.530 1.499 1.00 . A A . 1 PHE CD1 1 1 17 4165 1 1 1 PHE CD2 C 3.573 2.730 2.816 1.00 . A A . 1 PHE CD2 1 1 17 4166 1 1 1 PHE CE1 C 2.384 5.244 2.666 1.00 . A A . 1 PHE CE1 1 1 17 4167 1 1 1 PHE CE2 C 3.314 3.445 3.981 1.00 . A A . 1 PHE CE2 1 1 17 4168 1 1 1 PHE CG C 3.238 3.266 1.568 1.00 . A A . 1 PHE CG 1 1 17 4169 1 1 1 PHE CZ C 2.719 4.703 3.906 1.00 . A A . 1 PHE CZ 1 1 17 4170 1 1 1 PHE H1 H 1.368 1.720 1.604 1.00 . A A . 1 PHE H1 1 1 17 4171 1 1 1 PHE HA H 1.643 2.582 -0.910 1.00 . A A . 1 PHE HA 1 1 17 4172 1 1 1 PHE HB2 H 4.159 1.613 0.521 1.00 . A A . 1 PHE HB2 1 1 17 4173 1 1 1 PHE HB3 H 3.922 3.011 -0.469 1.00 . A A . 1 PHE HB3 1 1 17 4174 1 1 1 PHE HD1 H 2.356 4.947 0.545 1.00 . A A . 1 PHE HD1 1 1 17 4175 1 1 1 PHE HD2 H 4.012 1.745 2.892 1.00 . A A . 1 PHE HD2 1 1 17 4176 1 1 1 PHE HE1 H 1.907 6.210 2.603 1.00 . A A . 1 PHE HE1 1 1 17 4177 1 1 1 PHE HE2 H 3.564 3.008 4.936 1.00 . A A . 1 PHE HE2 1 1 17 4178 1 1 1 PHE HZ H 2.511 5.255 4.811 1.00 . A A . 1 PHE HZ 1 1 17 4179 1 1 1 PHE N N 1.163 1.281 0.700 1.00 . A A . 1 PHE N 1 1 17 4180 1 1 1 PHE O O 2.169 0.741 -2.529 1.00 . A A . 1 PHE O 1 1 17 4181 1 1 2 GLN C C 1.991 -2.565 -2.047 1.00 . A A . 2 GLN C 1 1 17 4182 1 1 2 GLN CA C 3.254 -1.732 -1.623 1.00 . A A . 2 GLN CA 1 1 17 4183 1 1 2 GLN CB C 4.349 -2.571 -0.900 1.00 . A A . 2 GLN CB 1 1 17 4184 1 1 2 GLN CD C 3.508 -4.484 0.687 1.00 . A A . 2 GLN CD 1 1 17 4185 1 1 2 GLN CG C 4.108 -3.079 0.553 1.00 . A A . 2 GLN CG 1 1 17 4186 1 1 2 GLN H H 3.235 -0.397 0.166 1.00 . A A . 2 GLN H 1 1 17 4187 1 1 2 GLN HA H 3.703 -1.435 -2.592 1.00 . A A . 2 GLN HA 1 1 17 4188 1 1 2 GLN HB2 H 4.627 -3.428 -1.545 1.00 . A A . 2 GLN HB2 1 1 17 4189 1 1 2 GLN HB3 H 5.268 -1.955 -0.882 1.00 . A A . 2 GLN HB3 1 1 17 4190 1 1 2 GLN HE21 H 5.297 -5.264 1.126 1.00 . A A . 2 GLN HE21 1 1 17 4191 1 1 2 GLN HE22 H 3.828 -6.378 1.097 1.00 . A A . 2 GLN HE22 1 1 17 4192 1 1 2 GLN HG2 H 5.066 -3.036 1.106 1.00 . A A . 2 GLN HG2 1 1 17 4193 1 1 2 GLN HG3 H 3.460 -2.379 1.110 1.00 . A A . 2 GLN HG3 1 1 17 4194 1 1 2 GLN N N 3.049 -0.474 -0.841 1.00 . A A . 2 GLN N 1 1 17 4195 1 1 2 GLN NE2 N 4.307 -5.480 0.986 1.00 . A A . 2 GLN NE2 1 1 17 4196 1 1 2 GLN O O 2.090 -3.369 -2.977 1.00 . A A . 2 GLN O 1 1 17 4197 1 1 2 GLN OE1 O 2.311 -4.704 0.557 1.00 . A A . 2 GLN OE1 1 1 17 4198 1 1 3 TRP C C -1.577 -1.891 -1.996 1.00 . A A . 3 TRP C 1 1 17 4199 1 1 3 TRP CA C -0.468 -2.981 -1.808 1.00 . A A . 3 TRP CA 1 1 17 4200 1 1 3 TRP CB C -0.842 -4.077 -0.763 1.00 . A A . 3 TRP CB 1 1 17 4201 1 1 3 TRP CD1 C -2.834 -3.814 0.870 1.00 . A A . 3 TRP CD1 1 1 17 4202 1 1 3 TRP CD2 C -0.984 -2.836 1.606 1.00 . A A . 3 TRP CD2 1 1 17 4203 1 1 3 TRP CE2 C -2.065 -2.554 2.484 1.00 . A A . 3 TRP CE2 1 1 17 4204 1 1 3 TRP CE3 C 0.315 -2.341 1.895 1.00 . A A . 3 TRP CE3 1 1 17 4205 1 1 3 TRP CG C -1.475 -3.618 0.571 1.00 . A A . 3 TRP CG 1 1 17 4206 1 1 3 TRP CH2 C -0.562 -1.337 3.933 1.00 . A A . 3 TRP CH2 1 1 17 4207 1 1 3 TRP CZ2 C -1.850 -1.799 3.655 1.00 . A A . 3 TRP CZ2 1 1 17 4208 1 1 3 TRP CZ3 C 0.503 -1.600 3.062 1.00 . A A . 3 TRP CZ3 1 1 17 4209 1 1 3 TRP H H 0.842 -1.644 -0.687 1.00 . A A . 3 TRP H 1 1 17 4210 1 1 3 TRP HA H -0.345 -3.489 -2.785 1.00 . A A . 3 TRP HA 1 1 17 4211 1 1 3 TRP HB2 H -1.539 -4.780 -1.254 1.00 . A A . 3 TRP HB2 1 1 17 4212 1 1 3 TRP HB3 H 0.032 -4.714 -0.578 1.00 . A A . 3 TRP HB3 1 1 17 4213 1 1 3 TRP HD1 H -3.496 -4.382 0.243 1.00 . A A . 3 TRP HD1 1 1 17 4214 1 1 3 TRP HE1 H -4.198 -2.908 2.304 1.00 . A A . 3 TRP HE1 1 1 17 4215 1 1 3 TRP HE3 H 1.148 -2.542 1.241 1.00 . A A . 3 TRP HE3 1 1 17 4216 1 1 3 TRP HH2 H -0.384 -0.769 4.835 1.00 . A A . 3 TRP HH2 1 1 17 4217 1 1 3 TRP HZ2 H -2.666 -1.631 4.339 1.00 . A A . 3 TRP HZ2 1 1 17 4218 1 1 3 TRP HZ3 H 1.489 -1.226 3.300 1.00 . A A . 3 TRP HZ3 1 1 17 4219 1 1 3 TRP N N 0.824 -2.370 -1.408 1.00 . A A . 3 TRP N 1 1 17 4220 1 1 3 TRP NE1 N -3.235 -3.139 2.033 1.00 . A A . 3 TRP NE1 1 1 17 4221 1 1 3 TRP O O -1.449 -0.741 -1.569 1.00 . A A . 3 TRP O 1 1 17 4222 1 1 4 GLN C C -5.284 -2.080 -2.035 1.00 . A A . 4 GLN C 1 1 17 4223 1 1 4 GLN CA C -3.957 -1.456 -2.603 1.00 . A A . 4 GLN CA 1 1 17 4224 1 1 4 GLN CB C -4.105 -0.883 -4.042 1.00 . A A . 4 GLN CB 1 1 17 4225 1 1 4 GLN CD C -6.097 -1.493 -5.660 1.00 . A A . 4 GLN CD 1 1 17 4226 1 1 4 GLN CG C -4.697 -1.835 -5.126 1.00 . A A . 4 GLN CG 1 1 17 4227 1 1 4 GLN H H -2.635 -3.246 -2.963 1.00 . A A . 4 GLN H 1 1 17 4228 1 1 4 GLN HA H -3.812 -0.573 -1.948 1.00 . A A . 4 GLN HA 1 1 17 4229 1 1 4 GLN HB2 H -4.702 0.049 -3.988 1.00 . A A . 4 GLN HB2 1 1 17 4230 1 1 4 GLN HB3 H -3.120 -0.509 -4.387 1.00 . A A . 4 GLN HB3 1 1 17 4231 1 1 4 GLN HE21 H -6.791 -1.221 -3.839 1.00 . A A . 4 GLN HE21 1 1 17 4232 1 1 4 GLN HE22 H -7.847 -0.815 -5.287 1.00 . A A . 4 GLN HE22 1 1 17 4233 1 1 4 GLN HG2 H -4.005 -1.850 -5.986 1.00 . A A . 4 GLN HG2 1 1 17 4234 1 1 4 GLN HG3 H -4.700 -2.884 -4.781 1.00 . A A . 4 GLN HG3 1 1 17 4235 1 1 4 GLN N N -2.718 -2.305 -2.565 1.00 . A A . 4 GLN N 1 1 17 4236 1 1 4 GLN NE2 N -7.094 -1.325 -4.822 1.00 . A A . 4 GLN NE2 1 1 17 4237 1 1 4 GLN O O -6.306 -1.389 -2.017 1.00 . A A . 4 GLN O 1 1 17 4238 1 1 4 GLN OE1 O -6.322 -1.367 -6.857 1.00 . A A . 4 GLN OE1 1 1 17 4239 1 1 5 ARG C C -6.714 -4.054 0.346 1.00 . A A . 5 ARG C 1 1 17 4240 1 1 5 ARG CA C -6.552 -4.076 -1.217 1.00 . A A . 5 ARG CA 1 1 17 4241 1 1 5 ARG CB C -6.553 -5.480 -1.906 1.00 . A A . 5 ARG CB 1 1 17 4242 1 1 5 ARG CD C -8.013 -5.598 -4.097 1.00 . A A . 5 ARG CD 1 1 17 4243 1 1 5 ARG CG C -6.610 -5.565 -3.459 1.00 . A A . 5 ARG CG 1 1 17 4244 1 1 5 ARG CZ C -9.877 -3.981 -4.536 1.00 . A A . 5 ARG CZ 1 1 17 4245 1 1 5 ARG H H -4.395 -3.818 -1.681 1.00 . A A . 5 ARG H 1 1 17 4246 1 1 5 ARG HA H -7.443 -3.538 -1.588 1.00 . A A . 5 ARG HA 1 1 17 4247 1 1 5 ARG HB2 H -5.642 -6.018 -1.583 1.00 . A A . 5 ARG HB2 1 1 17 4248 1 1 5 ARG HB3 H -7.385 -6.081 -1.493 1.00 . A A . 5 ARG HB3 1 1 17 4249 1 1 5 ARG HD2 H -7.925 -6.011 -5.124 1.00 . A A . 5 ARG HD2 1 1 17 4250 1 1 5 ARG HD3 H -8.657 -6.312 -3.542 1.00 . A A . 5 ARG HD3 1 1 17 4251 1 1 5 ARG HE H -8.056 -3.407 -3.991 1.00 . A A . 5 ARG HE 1 1 17 4252 1 1 5 ARG HG2 H -5.977 -4.788 -3.930 1.00 . A A . 5 ARG HG2 1 1 17 4253 1 1 5 ARG HG3 H -6.111 -6.511 -3.750 1.00 . A A . 5 ARG HG3 1 1 17 4254 1 1 5 ARG HH11 H -10.367 -5.853 -4.875 1.00 . A A . 5 ARG HH11 1 1 17 4255 1 1 5 ARG HH12 H -11.678 -4.612 -5.170 1.00 . A A . 5 ARG HH12 1 1 17 4256 1 1 5 ARG HH21 H -9.578 -2.046 -4.256 1.00 . A A . 5 ARG HH21 1 1 17 4257 1 1 5 ARG HH22 H -11.228 -2.553 -4.843 1.00 . A A . 5 ARG HH22 1 1 17 4258 1 1 5 ARG N N -5.310 -3.363 -1.631 1.00 . A A . 5 ARG N 1 1 17 4259 1 1 5 ARG NE N -8.623 -4.243 -4.165 1.00 . A A . 5 ARG NE 1 1 17 4260 1 1 5 ARG NH1 N -10.740 -4.903 -4.889 1.00 . A A . 5 ARG NH1 1 1 17 4261 1 1 5 ARG NH2 N -10.267 -2.741 -4.551 1.00 . A A . 5 ARG NH2 1 1 17 4262 1 1 5 ARG O O -7.194 -3.057 0.889 1.00 . A A . 5 ARG O 1 1 17 4263 1 1 6 ASN C C -5.432 -6.272 3.051 1.00 . A A . 6 ASN C 1 1 17 4264 1 1 6 ASN CA C -6.449 -5.192 2.566 1.00 . A A . 6 ASN CA 1 1 17 4265 1 1 6 ASN CB C -7.925 -5.505 2.967 1.00 . A A . 6 ASN CB 1 1 17 4266 1 1 6 ASN CG C -8.304 -5.346 4.445 1.00 . A A . 6 ASN CG 1 1 17 4267 1 1 6 ASN H H -5.966 -5.907 0.535 1.00 . A A . 6 ASN H 1 1 17 4268 1 1 6 ASN HA H -6.165 -4.206 2.987 1.00 . A A . 6 ASN HA 1 1 17 4269 1 1 6 ASN HB2 H -8.614 -4.861 2.387 1.00 . A A . 6 ASN HB2 1 1 17 4270 1 1 6 ASN HB3 H -8.185 -6.530 2.646 1.00 . A A . 6 ASN HB3 1 1 17 4271 1 1 6 ASN HD21 H -8.096 -3.365 4.311 1.00 . A A . 6 ASN HD21 1 1 17 4272 1 1 6 ASN HD22 H -8.645 -4.066 5.918 1.00 . A A . 6 ASN HD22 1 1 17 4273 1 1 6 ASN N N -6.345 -5.125 1.078 1.00 . A A . 6 ASN N 1 1 17 4274 1 1 6 ASN ND2 N -8.316 -4.135 4.952 1.00 . A A . 6 ASN ND2 1 1 17 4275 1 1 6 ASN O O -5.597 -7.443 2.697 1.00 . A A . 6 ASN O 1 1 17 4276 1 1 6 ASN OD1 O -8.652 -6.297 5.143 1.00 . A A . 6 ASN OD1 1 1 17 4277 1 1 7 ILE C C -3.303 -8.203 4.322 1.00 . A A . 7 ILE C 1 1 17 4278 1 1 7 ILE CA C -3.119 -6.672 4.004 1.00 . A A . 7 ILE CA 1 1 17 4279 1 1 7 ILE CB C -2.027 -5.970 4.929 1.00 . A A . 7 ILE CB 1 1 17 4280 1 1 7 ILE CD1 C -1.525 -4.227 6.847 1.00 . A A . 7 ILE CD1 1 1 17 4281 1 1 7 ILE CG1 C -2.496 -4.745 5.769 1.00 . A A . 7 ILE CG1 1 1 17 4282 1 1 7 ILE CG2 C -0.723 -5.688 4.144 1.00 . A A . 7 ILE CG2 1 1 17 4283 1 1 7 ILE H H -4.374 -4.885 4.042 1.00 . A A . 7 ILE H 1 1 17 4284 1 1 7 ILE HA H -2.699 -6.643 2.979 1.00 . A A . 7 ILE HA 1 1 17 4285 1 1 7 ILE HB H -1.708 -6.698 5.694 1.00 . A A . 7 ILE HB 1 1 17 4286 1 1 7 ILE HD11 H -1.223 -5.021 7.555 1.00 . A A . 7 ILE HD11 1 1 17 4287 1 1 7 ILE HD12 H -0.603 -3.807 6.405 1.00 . A A . 7 ILE HD12 1 1 17 4288 1 1 7 ILE HD13 H -1.985 -3.417 7.443 1.00 . A A . 7 ILE HD13 1 1 17 4289 1 1 7 ILE HG12 H -2.760 -3.918 5.089 1.00 . A A . 7 ILE HG12 1 1 17 4290 1 1 7 ILE HG13 H -3.442 -5.011 6.276 1.00 . A A . 7 ILE HG13 1 1 17 4291 1 1 7 ILE HG21 H 0.089 -5.309 4.791 1.00 . A A . 7 ILE HG21 1 1 17 4292 1 1 7 ILE HG22 H -0.329 -6.601 3.659 1.00 . A A . 7 ILE HG22 1 1 17 4293 1 1 7 ILE HG23 H -0.873 -4.943 3.348 1.00 . A A . 7 ILE HG23 1 1 17 4294 1 1 7 ILE N N -4.395 -5.886 3.831 1.00 . A A . 7 ILE N 1 1 17 4295 1 1 7 ILE O O -3.331 -9.017 3.397 1.00 . A A . 7 ILE O 1 1 17 4296 1 1 8 ARG C C -3.404 -11.185 5.541 1.00 . A A . 8 ARG C 1 1 17 4297 1 1 8 ARG CA C -4.128 -9.865 6.025 1.00 . A A . 8 ARG CA 1 1 17 4298 1 1 8 ARG CB C -5.679 -9.805 5.761 1.00 . A A . 8 ARG CB 1 1 17 4299 1 1 8 ARG CD C -6.385 -7.987 7.552 1.00 . A A . 8 ARG CD 1 1 17 4300 1 1 8 ARG CG C -6.477 -8.515 6.104 1.00 . A A . 8 ARG CG 1 1 17 4301 1 1 8 ARG CZ C -8.543 -8.374 8.774 1.00 . A A . 8 ARG CZ 1 1 17 4302 1 1 8 ARG H H -3.425 -7.780 6.253 1.00 . A A . 8 ARG H 1 1 17 4303 1 1 8 ARG HA H -4.010 -9.898 7.125 1.00 . A A . 8 ARG HA 1 1 17 4304 1 1 8 ARG HB2 H -5.838 -10.009 4.684 1.00 . A A . 8 ARG HB2 1 1 17 4305 1 1 8 ARG HB3 H -6.168 -10.646 6.283 1.00 . A A . 8 ARG HB3 1 1 17 4306 1 1 8 ARG HD2 H -5.340 -8.045 7.913 1.00 . A A . 8 ARG HD2 1 1 17 4307 1 1 8 ARG HD3 H -6.587 -6.895 7.563 1.00 . A A . 8 ARG HD3 1 1 17 4308 1 1 8 ARG HE H -6.910 -9.462 9.091 1.00 . A A . 8 ARG HE 1 1 17 4309 1 1 8 ARG HG2 H -6.128 -7.712 5.427 1.00 . A A . 8 ARG HG2 1 1 17 4310 1 1 8 ARG HG3 H -7.536 -8.649 5.815 1.00 . A A . 8 ARG HG3 1 1 17 4311 1 1 8 ARG HH11 H -8.682 -7.016 7.353 1.00 . A A . 8 ARG HH11 1 1 17 4312 1 1 8 ARG HH12 H -10.149 -7.216 8.436 1.00 . A A . 8 ARG HH12 1 1 17 4313 1 1 8 ARG HH21 H -8.613 -9.699 10.253 1.00 . A A . 8 ARG HH21 1 1 17 4314 1 1 8 ARG HH22 H -10.111 -8.714 9.952 1.00 . A A . 8 ARG HH22 1 1 17 4315 1 1 8 ARG N N -3.505 -8.570 5.606 1.00 . A A . 8 ARG N 1 1 17 4316 1 1 8 ARG NE N -7.280 -8.711 8.500 1.00 . A A . 8 ARG NE 1 1 17 4317 1 1 8 ARG NH1 N -9.207 -7.449 8.120 1.00 . A A . 8 ARG NH1 1 1 17 4318 1 1 8 ARG NH2 N -9.153 -8.999 9.740 1.00 . A A . 8 ARG NH2 1 1 17 4319 1 1 8 ARG O O -2.282 -11.165 5.029 1.00 . A A . 8 ARG O 1 1 17 4320 1 1 9 LYS C C -4.998 -14.399 4.533 1.00 . A A . 9 LYS C 1 1 17 4321 1 1 9 LYS CA C -3.708 -13.592 4.933 1.00 . A A . 9 LYS CA 1 1 17 4322 1 1 9 LYS CB C -2.611 -14.427 5.664 1.00 . A A . 9 LYS CB 1 1 17 4323 1 1 9 LYS CD C -1.952 -15.999 7.596 1.00 . A A . 9 LYS CD 1 1 17 4324 1 1 9 LYS CE C -2.254 -16.437 9.041 1.00 . A A . 9 LYS CE 1 1 17 4325 1 1 9 LYS CG C -2.936 -14.921 7.099 1.00 . A A . 9 LYS CG 1 1 17 4326 1 1 9 LYS H H -4.917 -12.287 6.242 1.00 . A A . 9 LYS H 1 1 17 4327 1 1 9 LYS HA H -3.263 -13.294 3.961 1.00 . A A . 9 LYS HA 1 1 17 4328 1 1 9 LYS HB2 H -2.369 -15.295 5.020 1.00 . A A . 9 LYS HB2 1 1 17 4329 1 1 9 LYS HB3 H -1.675 -13.835 5.689 1.00 . A A . 9 LYS HB3 1 1 17 4330 1 1 9 LYS HD2 H -2.005 -16.866 6.906 1.00 . A A . 9 LYS HD2 1 1 17 4331 1 1 9 LYS HD3 H -0.914 -15.617 7.515 1.00 . A A . 9 LYS HD3 1 1 17 4332 1 1 9 LYS HE2 H -2.123 -15.574 9.733 1.00 . A A . 9 LYS HE2 1 1 17 4333 1 1 9 LYS HE3 H -3.325 -16.726 9.141 1.00 . A A . 9 LYS HE3 1 1 17 4334 1 1 9 LYS HG2 H -2.942 -14.050 7.785 1.00 . A A . 9 LYS HG2 1 1 17 4335 1 1 9 LYS HG3 H -3.968 -15.324 7.127 1.00 . A A . 9 LYS HG3 1 1 17 4336 1 1 9 LYS HZ1 H -1.486 -17.878 10.397 1.00 . A A . 9 LYS HZ1 1 1 17 4337 1 1 9 LYS HZ2 H -1.517 -18.400 8.839 1.00 . A A . 9 LYS HZ2 1 1 17 4338 1 1 9 LYS HZ3 H -0.367 -17.338 9.318 1.00 . A A . 9 LYS HZ3 1 1 17 4339 1 1 9 LYS N N -4.045 -12.356 5.712 1.00 . A A . 9 LYS N 1 1 17 4340 1 1 9 LYS NZ N -1.364 -17.567 9.423 1.00 . A A . 9 LYS NZ 1 1 17 4341 1 1 9 LYS O O -5.119 -15.594 4.815 1.00 . A A . 9 LYS O 1 1 17 4342 1 1 10 VAL C C -8.107 -13.700 2.429 1.00 . A A . 10 VAL C 1 1 17 4343 1 1 10 VAL CA C -7.364 -14.263 3.692 1.00 . A A . 10 VAL CA 1 1 17 4344 1 1 10 VAL CB C -8.288 -14.178 4.969 1.00 . A A . 10 VAL CB 1 1 17 4345 1 1 10 VAL CG1 C -8.093 -15.360 5.944 1.00 . A A . 10 VAL CG1 1 1 17 4346 1 1 10 VAL CG2 C -8.219 -12.869 5.791 1.00 . A A . 10 VAL CG2 1 1 17 4347 1 1 10 VAL H H -5.702 -12.770 3.653 1.00 . A A . 10 VAL H 1 1 17 4348 1 1 10 VAL HA H -7.263 -15.340 3.445 1.00 . A A . 10 VAL HA 1 1 17 4349 1 1 10 VAL HB H -9.334 -14.265 4.616 1.00 . A A . 10 VAL HB 1 1 17 4350 1 1 10 VAL HG11 H -8.183 -16.337 5.432 1.00 . A A . 10 VAL HG11 1 1 17 4351 1 1 10 VAL HG12 H -7.099 -15.344 6.428 1.00 . A A . 10 VAL HG12 1 1 17 4352 1 1 10 VAL HG13 H -8.845 -15.359 6.754 1.00 . A A . 10 VAL HG13 1 1 17 4353 1 1 10 VAL HG21 H -8.332 -11.978 5.159 1.00 . A A . 10 VAL HG21 1 1 17 4354 1 1 10 VAL HG22 H -9.010 -12.826 6.562 1.00 . A A . 10 VAL HG22 1 1 17 4355 1 1 10 VAL HG23 H -7.252 -12.773 6.318 1.00 . A A . 10 VAL HG23 1 1 17 4356 1 1 10 VAL N N -5.971 -13.730 3.883 1.00 . A A . 10 VAL N 1 1 17 4357 1 1 10 VAL O O -8.812 -14.468 1.769 1.00 . A A . 10 VAL O 1 1 17 4358 1 1 11 ARG C C -7.950 -12.284 -0.453 1.00 . A A . 11 ARG C 1 1 17 4359 1 1 11 ARG CA C -8.657 -11.822 0.868 1.00 . A A . 11 ARG CA 1 1 17 4360 1 1 11 ARG CB C -8.702 -10.263 0.940 1.00 . A A . 11 ARG CB 1 1 17 4361 1 1 11 ARG CD C -9.183 -9.470 3.367 1.00 . A A . 11 ARG CD 1 1 17 4362 1 1 11 ARG CG C -9.701 -9.598 1.921 1.00 . A A . 11 ARG CG 1 1 17 4363 1 1 11 ARG CZ C -11.204 -9.253 4.851 1.00 . A A . 11 ARG CZ 1 1 17 4364 1 1 11 ARG H H -7.391 -11.855 2.695 1.00 . A A . 11 ARG H 1 1 17 4365 1 1 11 ARG HA H -9.709 -12.171 0.828 1.00 . A A . 11 ARG HA 1 1 17 4366 1 1 11 ARG HB2 H -7.681 -9.856 1.085 1.00 . A A . 11 ARG HB2 1 1 17 4367 1 1 11 ARG HB3 H -8.983 -9.896 -0.067 1.00 . A A . 11 ARG HB3 1 1 17 4368 1 1 11 ARG HD2 H -8.936 -10.459 3.785 1.00 . A A . 11 ARG HD2 1 1 17 4369 1 1 11 ARG HD3 H -8.214 -8.928 3.359 1.00 . A A . 11 ARG HD3 1 1 17 4370 1 1 11 ARG HE H -9.990 -7.728 4.427 1.00 . A A . 11 ARG HE 1 1 17 4371 1 1 11 ARG HG2 H -9.932 -8.582 1.543 1.00 . A A . 11 ARG HG2 1 1 17 4372 1 1 11 ARG HG3 H -10.673 -10.129 1.891 1.00 . A A . 11 ARG HG3 1 1 17 4373 1 1 11 ARG HH11 H -10.901 -11.084 4.210 1.00 . A A . 11 ARG HH11 1 1 17 4374 1 1 11 ARG HH12 H -12.364 -10.844 5.282 1.00 . A A . 11 ARG HH12 1 1 17 4375 1 1 11 ARG HH21 H -11.751 -7.461 5.494 1.00 . A A . 11 ARG HH21 1 1 17 4376 1 1 11 ARG HH22 H -12.807 -8.871 5.959 1.00 . A A . 11 ARG HH22 1 1 17 4377 1 1 11 ARG N N -8.008 -12.396 2.087 1.00 . A A . 11 ARG N 1 1 17 4378 1 1 11 ARG NE N -10.141 -8.729 4.236 1.00 . A A . 11 ARG NE 1 1 17 4379 1 1 11 ARG NH1 N -11.523 -10.524 4.796 1.00 . A A . 11 ARG NH1 1 1 17 4380 1 1 11 ARG NH2 N -11.971 -8.458 5.538 1.00 . A A . 11 ARG NH2 1 1 17 4381 1 1 11 ARG O O -6.924 -11.756 -0.878 1.00 . A A . 11 ARG O 1 1 17 4382 1 1 12 NH2 HN1 H -7.890 -13.533 -1.961 1.00 . A A . 12 NH2 HN1 1 1 17 4383 1 1 12 NH2 HN2 H -9.164 -13.851 -0.679 1.00 . A A . 12 NH2 HN2 1 1 17 4384 1 1 12 NH2 N N -8.469 -13.268 -1.159 1.00 . A A . 12 NH2 N 1 1 17 4385 2 2 1 DAO C1 C -0.553 1.654 0.298 1.00 . B A . 13 DAO C1 1 1 17 4386 2 2 1 DAO C10 C -2.296 5.482 7.384 1.00 . B A . 13 DAO C10 1 1 17 4387 2 2 1 DAO C11 C -0.972 6.175 7.767 1.00 . B A . 13 DAO C11 1 1 17 4388 2 2 1 DAO C12 C 0.198 5.874 6.814 1.00 . B A . 13 DAO C12 1 1 17 4389 2 2 1 DAO C2 C -1.533 1.052 1.302 1.00 . B A . 13 DAO C2 1 1 17 4390 2 2 1 DAO C3 C -2.896 1.734 1.528 1.00 . B A . 13 DAO C3 1 1 17 4391 2 2 1 DAO C4 C -2.767 3.177 2.050 1.00 . B A . 13 DAO C4 1 1 17 4392 2 2 1 DAO C5 C -4.023 3.691 2.778 1.00 . B A . 13 DAO C5 1 1 17 4393 2 2 1 DAO C6 C -3.936 5.199 3.103 1.00 . B A . 13 DAO C6 1 1 17 4394 2 2 1 DAO C7 C -4.791 5.655 4.309 1.00 . B A . 13 DAO C7 1 1 17 4395 2 2 1 DAO C8 C -4.232 5.268 5.700 1.00 . B A . 13 DAO C8 1 1 17 4396 2 2 1 DAO C9 C -2.960 6.043 6.110 1.00 . B A . 13 DAO C9 1 1 17 4397 2 2 1 DAO H101 H -3.006 5.573 8.229 1.00 . B A . 13 DAO H101 1 1 17 4398 2 2 1 DAO H102 H -2.120 4.394 7.273 1.00 . B A . 13 DAO H102 1 1 17 4399 2 2 1 DAO H111 H -1.123 7.269 7.845 1.00 . B A . 13 DAO H111 1 1 17 4400 2 2 1 DAO H112 H -0.685 5.852 8.786 1.00 . B A . 13 DAO H112 1 1 17 4401 2 2 1 DAO H121 H 1.138 6.332 7.173 1.00 . B A . 13 DAO H121 1 1 17 4402 2 2 1 DAO H122 H 0.382 4.787 6.717 1.00 . B A . 13 DAO H122 1 1 17 4403 2 2 1 DAO H123 H 0.018 6.268 5.797 1.00 . B A . 13 DAO H123 1 1 17 4404 2 2 1 DAO H21 H -1.699 0.010 0.997 1.00 . B A . 13 DAO H21 1 1 17 4405 2 2 1 DAO H22 H -1.007 0.980 2.271 1.00 . B A . 13 DAO H22 1 1 17 4406 2 2 1 DAO H31 H -3.489 1.715 0.593 1.00 . B A . 13 DAO H31 1 1 17 4407 2 2 1 DAO H32 H -3.462 1.115 2.251 1.00 . B A . 13 DAO H32 1 1 17 4408 2 2 1 DAO H41 H -1.906 3.231 2.744 1.00 . B A . 13 DAO H41 1 1 17 4409 2 2 1 DAO H42 H -2.504 3.844 1.205 1.00 . B A . 13 DAO H42 1 1 17 4410 2 2 1 DAO H51 H -4.158 3.097 3.702 1.00 . B A . 13 DAO H51 1 1 17 4411 2 2 1 DAO H52 H -4.932 3.497 2.175 1.00 . B A . 13 DAO H52 1 1 17 4412 2 2 1 DAO H61 H -2.885 5.504 3.261 1.00 . B A . 13 DAO H61 1 1 17 4413 2 2 1 DAO H62 H -4.245 5.766 2.204 1.00 . B A . 13 DAO H62 1 1 17 4414 2 2 1 DAO H71 H -4.920 6.754 4.269 1.00 . B A . 13 DAO H71 1 1 17 4415 2 2 1 DAO H72 H -5.817 5.253 4.200 1.00 . B A . 13 DAO H72 1 1 17 4416 2 2 1 DAO H81 H -5.015 5.438 6.463 1.00 . B A . 13 DAO H81 1 1 17 4417 2 2 1 DAO H82 H -4.040 4.178 5.730 1.00 . B A . 13 DAO H82 1 1 17 4418 2 2 1 DAO H91 H -3.203 7.114 6.249 1.00 . B A . 13 DAO H91 1 1 17 4419 2 2 1 DAO H92 H -2.225 6.016 5.287 1.00 . B A . 13 DAO H92 1 1 17 4420 2 2 1 DAO O1 O -0.903 2.331 -0.668 1.00 . B A . 13 DAO O1 1 1 18 4421 1 1 1 PHE C C 2.560 0.939 -1.274 1.00 . A A . 1 PHE C 1 1 18 4422 1 1 1 PHE CA C 2.247 1.872 -0.064 1.00 . A A . 1 PHE CA 1 1 18 4423 1 1 1 PHE CB C 3.527 2.286 0.740 1.00 . A A . 1 PHE CB 1 1 18 4424 1 1 1 PHE CD1 C 2.806 4.205 2.267 1.00 . A A . 1 PHE CD1 1 1 18 4425 1 1 1 PHE CD2 C 3.496 2.119 3.273 1.00 . A A . 1 PHE CD2 1 1 18 4426 1 1 1 PHE CE1 C 2.479 4.699 3.527 1.00 . A A . 1 PHE CE1 1 1 18 4427 1 1 1 PHE CE2 C 3.169 2.615 4.530 1.00 . A A . 1 PHE CE2 1 1 18 4428 1 1 1 PHE CG C 3.312 2.908 2.132 1.00 . A A . 1 PHE CG 1 1 18 4429 1 1 1 PHE CZ C 2.659 3.906 4.658 1.00 . A A . 1 PHE CZ 1 1 18 4430 1 1 1 PHE H1 H 1.358 1.525 1.783 1.00 . A A . 1 PHE H1 1 1 18 4431 1 1 1 PHE HA H 1.827 2.808 -0.480 1.00 . A A . 1 PHE HA 1 1 18 4432 1 1 1 PHE HB2 H 4.207 1.418 0.843 1.00 . A A . 1 PHE HB2 1 1 18 4433 1 1 1 PHE HB3 H 4.114 2.991 0.123 1.00 . A A . 1 PHE HB3 1 1 18 4434 1 1 1 PHE HD1 H 2.632 4.816 1.393 1.00 . A A . 1 PHE HD1 1 1 18 4435 1 1 1 PHE HD2 H 3.861 1.105 3.187 1.00 . A A . 1 PHE HD2 1 1 18 4436 1 1 1 PHE HE1 H 2.068 5.693 3.615 1.00 . A A . 1 PHE HE1 1 1 18 4437 1 1 1 PHE HE2 H 3.299 1.983 5.397 1.00 . A A . 1 PHE HE2 1 1 18 4438 1 1 1 PHE HZ H 2.397 4.288 5.634 1.00 . A A . 1 PHE HZ 1 1 18 4439 1 1 1 PHE N N 1.213 1.234 0.812 1.00 . A A . 1 PHE N 1 1 18 4440 1 1 1 PHE O O 2.318 1.299 -2.426 1.00 . A A . 1 PHE O 1 1 18 4441 1 1 2 GLN C C 1.828 -2.057 -2.396 1.00 . A A . 2 GLN C 1 1 18 4442 1 1 2 GLN CA C 3.181 -1.379 -1.983 1.00 . A A . 2 GLN CA 1 1 18 4443 1 1 2 GLN CB C 4.226 -2.364 -1.383 1.00 . A A . 2 GLN CB 1 1 18 4444 1 1 2 GLN CD C 3.981 -4.933 -1.742 1.00 . A A . 2 GLN CD 1 1 18 4445 1 1 2 GLN CG C 4.575 -3.609 -2.240 1.00 . A A . 2 GLN CG 1 1 18 4446 1 1 2 GLN H H 3.234 -0.404 0.013 1.00 . A A . 2 GLN H 1 1 18 4447 1 1 2 GLN HA H 3.611 -0.968 -2.918 1.00 . A A . 2 GLN HA 1 1 18 4448 1 1 2 GLN HB2 H 5.170 -1.806 -1.218 1.00 . A A . 2 GLN HB2 1 1 18 4449 1 1 2 GLN HB3 H 3.924 -2.682 -0.364 1.00 . A A . 2 GLN HB3 1 1 18 4450 1 1 2 GLN HE21 H 2.488 -4.830 -3.057 1.00 . A A . 2 GLN HE21 1 1 18 4451 1 1 2 GLN HE22 H 2.589 -6.303 -1.943 1.00 . A A . 2 GLN HE22 1 1 18 4452 1 1 2 GLN HG2 H 4.319 -3.436 -3.303 1.00 . A A . 2 GLN HG2 1 1 18 4453 1 1 2 GLN HG3 H 5.670 -3.737 -2.234 1.00 . A A . 2 GLN HG3 1 1 18 4454 1 1 2 GLN N N 3.073 -0.273 -0.992 1.00 . A A . 2 GLN N 1 1 18 4455 1 1 2 GLN NE2 N 2.881 -5.386 -2.292 1.00 . A A . 2 GLN NE2 1 1 18 4456 1 1 2 GLN O O 1.638 -2.359 -3.577 1.00 . A A . 2 GLN O 1 1 18 4457 1 1 2 GLN OE1 O 4.512 -5.584 -0.850 1.00 . A A . 2 GLN OE1 1 1 18 4458 1 1 3 TRP C C -1.554 -1.970 -1.971 1.00 . A A . 3 TRP C 1 1 18 4459 1 1 3 TRP CA C -0.386 -2.986 -1.712 1.00 . A A . 3 TRP CA 1 1 18 4460 1 1 3 TRP CB C -0.662 -4.018 -0.574 1.00 . A A . 3 TRP CB 1 1 18 4461 1 1 3 TRP CD1 C -2.686 -3.617 0.968 1.00 . A A . 3 TRP CD1 1 1 18 4462 1 1 3 TRP CD2 C -0.816 -2.749 1.783 1.00 . A A . 3 TRP CD2 1 1 18 4463 1 1 3 TRP CE2 C -1.913 -2.407 2.615 1.00 . A A . 3 TRP CE2 1 1 18 4464 1 1 3 TRP CE3 C 0.493 -2.323 2.122 1.00 . A A . 3 TRP CE3 1 1 18 4465 1 1 3 TRP CG C -1.310 -3.495 0.724 1.00 . A A . 3 TRP CG 1 1 18 4466 1 1 3 TRP CH2 C -0.409 -1.280 4.132 1.00 . A A . 3 TRP CH2 1 1 18 4467 1 1 3 TRP CZ2 C -1.708 -1.656 3.793 1.00 . A A . 3 TRP CZ2 1 1 18 4468 1 1 3 TRP CZ3 C 0.674 -1.608 3.309 1.00 . A A . 3 TRP CZ3 1 1 18 4469 1 1 3 TRP H H 1.201 -2.006 -0.516 1.00 . A A . 3 TRP H 1 1 18 4470 1 1 3 TRP HA H -0.287 -3.588 -2.638 1.00 . A A . 3 TRP HA 1 1 18 4471 1 1 3 TRP HB2 H -1.331 -4.796 -0.991 1.00 . A A . 3 TRP HB2 1 1 18 4472 1 1 3 TRP HB3 H 0.246 -4.592 -0.353 1.00 . A A . 3 TRP HB3 1 1 18 4473 1 1 3 TRP HD1 H -3.343 -4.181 0.330 1.00 . A A . 3 TRP HD1 1 1 18 4474 1 1 3 TRP HE1 H -4.039 -2.699 2.437 1.00 . A A . 3 TRP HE1 1 1 18 4475 1 1 3 TRP HE3 H 1.329 -2.545 1.482 1.00 . A A . 3 TRP HE3 1 1 18 4476 1 1 3 TRP HH2 H -0.237 -0.715 5.038 1.00 . A A . 3 TRP HH2 1 1 18 4477 1 1 3 TRP HZ2 H -2.542 -1.388 4.423 1.00 . A A . 3 TRP HZ2 1 1 18 4478 1 1 3 TRP HZ3 H 1.661 -1.300 3.613 1.00 . A A . 3 TRP HZ3 1 1 18 4479 1 1 3 TRP N N 0.931 -2.350 -1.439 1.00 . A A . 3 TRP N 1 1 18 4480 1 1 3 TRP NE1 N -3.093 -2.907 2.104 1.00 . A A . 3 TRP NE1 1 1 18 4481 1 1 3 TRP O O -1.447 -0.764 -1.739 1.00 . A A . 3 TRP O 1 1 18 4482 1 1 4 GLN C C -4.869 -1.791 -1.235 1.00 . A A . 4 GLN C 1 1 18 4483 1 1 4 GLN CA C -3.981 -1.749 -2.532 1.00 . A A . 4 GLN CA 1 1 18 4484 1 1 4 GLN CB C -4.632 -2.042 -3.923 1.00 . A A . 4 GLN CB 1 1 18 4485 1 1 4 GLN CD C -5.541 -4.483 -3.676 1.00 . A A . 4 GLN CD 1 1 18 4486 1 1 4 GLN CG C -4.691 -3.497 -4.474 1.00 . A A . 4 GLN CG 1 1 18 4487 1 1 4 GLN H H -2.612 -3.497 -2.661 1.00 . A A . 4 GLN H 1 1 18 4488 1 1 4 GLN HA H -3.736 -0.678 -2.595 1.00 . A A . 4 GLN HA 1 1 18 4489 1 1 4 GLN HB2 H -5.645 -1.595 -3.953 1.00 . A A . 4 GLN HB2 1 1 18 4490 1 1 4 GLN HB3 H -4.071 -1.449 -4.672 1.00 . A A . 4 GLN HB3 1 1 18 4491 1 1 4 GLN HE21 H -3.955 -4.962 -2.648 1.00 . A A . 4 GLN HE21 1 1 18 4492 1 1 4 GLN HE22 H -5.584 -5.594 -2.101 1.00 . A A . 4 GLN HE22 1 1 18 4493 1 1 4 GLN HG2 H -5.099 -3.466 -5.494 1.00 . A A . 4 GLN HG2 1 1 18 4494 1 1 4 GLN HG3 H -3.669 -3.893 -4.626 1.00 . A A . 4 GLN HG3 1 1 18 4495 1 1 4 GLN N N -2.706 -2.513 -2.397 1.00 . A A . 4 GLN N 1 1 18 4496 1 1 4 GLN NE2 N -4.929 -5.233 -2.797 1.00 . A A . 4 GLN NE2 1 1 18 4497 1 1 4 GLN O O -4.562 -1.077 -0.278 1.00 . A A . 4 GLN O 1 1 18 4498 1 1 4 GLN OE1 O -6.764 -4.497 -3.726 1.00 . A A . 4 GLN OE1 1 1 18 4499 1 1 5 ARG C C -7.082 -4.209 0.446 1.00 . A A . 5 ARG C 1 1 18 4500 1 1 5 ARG CA C -6.822 -2.713 0.038 1.00 . A A . 5 ARG CA 1 1 18 4501 1 1 5 ARG CB C -8.094 -1.859 -0.203 1.00 . A A . 5 ARG CB 1 1 18 4502 1 1 5 ARG CD C -10.417 -1.889 1.008 1.00 . A A . 5 ARG CD 1 1 18 4503 1 1 5 ARG CG C -8.909 -1.579 1.092 1.00 . A A . 5 ARG CG 1 1 18 4504 1 1 5 ARG CZ C -11.700 -4.042 0.829 1.00 . A A . 5 ARG CZ 1 1 18 4505 1 1 5 ARG H H -6.132 -3.116 -2.036 1.00 . A A . 5 ARG H 1 1 18 4506 1 1 5 ARG HA H -6.325 -2.262 0.917 1.00 . A A . 5 ARG HA 1 1 18 4507 1 1 5 ARG HB2 H -7.815 -0.883 -0.648 1.00 . A A . 5 ARG HB2 1 1 18 4508 1 1 5 ARG HB3 H -8.714 -2.342 -0.984 1.00 . A A . 5 ARG HB3 1 1 18 4509 1 1 5 ARG HD2 H -10.925 -1.513 1.920 1.00 . A A . 5 ARG HD2 1 1 18 4510 1 1 5 ARG HD3 H -10.874 -1.360 0.145 1.00 . A A . 5 ARG HD3 1 1 18 4511 1 1 5 ARG HE H -9.693 -3.915 0.731 1.00 . A A . 5 ARG HE 1 1 18 4512 1 1 5 ARG HG2 H -8.473 -2.125 1.956 1.00 . A A . 5 ARG HG2 1 1 18 4513 1 1 5 ARG HG3 H -8.761 -0.518 1.364 1.00 . A A . 5 ARG HG3 1 1 18 4514 1 1 5 ARG HH11 H -12.856 -2.482 1.109 1.00 . A A . 5 ARG HH11 1 1 18 4515 1 1 5 ARG HH12 H -13.709 -4.089 0.905 1.00 . A A . 5 ARG HH12 1 1 18 4516 1 1 5 ARG HH21 H -10.686 -5.699 0.497 1.00 . A A . 5 ARG HH21 1 1 18 4517 1 1 5 ARG HH22 H -12.506 -5.845 0.572 1.00 . A A . 5 ARG HH22 1 1 18 4518 1 1 5 ARG N N -5.954 -2.589 -1.172 1.00 . A A . 5 ARG N 1 1 18 4519 1 1 5 ARG NE N -10.560 -3.362 0.883 1.00 . A A . 5 ARG NE 1 1 18 4520 1 1 5 ARG NH1 N -12.881 -3.493 0.966 1.00 . A A . 5 ARG NH1 1 1 18 4521 1 1 5 ARG NH2 N -11.629 -5.325 0.630 1.00 . A A . 5 ARG NH2 1 1 18 4522 1 1 5 ARG O O -8.204 -4.727 0.411 1.00 . A A . 5 ARG O 1 1 18 4523 1 1 6 ASN C C -4.606 -6.562 2.005 1.00 . A A . 6 ASN C 1 1 18 4524 1 1 6 ASN CA C -6.013 -6.289 1.379 1.00 . A A . 6 ASN CA 1 1 18 4525 1 1 6 ASN CB C -6.365 -7.286 0.227 1.00 . A A . 6 ASN CB 1 1 18 4526 1 1 6 ASN CG C -6.543 -8.766 0.589 1.00 . A A . 6 ASN CG 1 1 18 4527 1 1 6 ASN H H -5.174 -4.287 0.890 1.00 . A A . 6 ASN H 1 1 18 4528 1 1 6 ASN HA H -6.783 -6.379 2.170 1.00 . A A . 6 ASN HA 1 1 18 4529 1 1 6 ASN HB2 H -7.284 -6.958 -0.290 1.00 . A A . 6 ASN HB2 1 1 18 4530 1 1 6 ASN HB3 H -5.584 -7.229 -0.553 1.00 . A A . 6 ASN HB3 1 1 18 4531 1 1 6 ASN HD21 H -8.166 -8.381 1.682 1.00 . A A . 6 ASN HD21 1 1 18 4532 1 1 6 ASN HD22 H -7.617 -10.127 1.513 1.00 . A A . 6 ASN HD22 1 1 18 4533 1 1 6 ASN N N -6.007 -4.881 0.883 1.00 . A A . 6 ASN N 1 1 18 4534 1 1 6 ASN ND2 N -7.510 -9.114 1.405 1.00 . A A . 6 ASN ND2 1 1 18 4535 1 1 6 ASN O O -3.657 -6.851 1.269 1.00 . A A . 6 ASN O 1 1 18 4536 1 1 6 ASN OD1 O -5.839 -9.642 0.099 1.00 . A A . 6 ASN OD1 1 1 18 4537 1 1 7 ILE C C -2.809 -8.079 4.378 1.00 . A A . 7 ILE C 1 1 18 4538 1 1 7 ILE CA C -3.103 -6.578 4.004 1.00 . A A . 7 ILE CA 1 1 18 4539 1 1 7 ILE CB C -2.867 -5.621 5.252 1.00 . A A . 7 ILE CB 1 1 18 4540 1 1 7 ILE CD1 C -3.437 -3.334 6.483 1.00 . A A . 7 ILE CD1 1 1 18 4541 1 1 7 ILE CG1 C -3.742 -4.334 5.351 1.00 . A A . 7 ILE CG1 1 1 18 4542 1 1 7 ILE CG2 C -1.354 -5.305 5.345 1.00 . A A . 7 ILE CG2 1 1 18 4543 1 1 7 ILE H H -5.280 -6.222 3.892 1.00 . A A . 7 ILE H 1 1 18 4544 1 1 7 ILE HA H -2.351 -6.281 3.238 1.00 . A A . 7 ILE HA 1 1 18 4545 1 1 7 ILE HB H -3.118 -6.179 6.172 1.00 . A A . 7 ILE HB 1 1 18 4546 1 1 7 ILE HD11 H -4.127 -2.470 6.452 1.00 . A A . 7 ILE HD11 1 1 18 4547 1 1 7 ILE HD12 H -3.523 -3.788 7.483 1.00 . A A . 7 ILE HD12 1 1 18 4548 1 1 7 ILE HD13 H -2.417 -2.912 6.397 1.00 . A A . 7 ILE HD13 1 1 18 4549 1 1 7 ILE HG12 H -3.695 -3.793 4.398 1.00 . A A . 7 ILE HG12 1 1 18 4550 1 1 7 ILE HG13 H -4.804 -4.629 5.443 1.00 . A A . 7 ILE HG13 1 1 18 4551 1 1 7 ILE HG21 H -1.089 -4.780 6.280 1.00 . A A . 7 ILE HG21 1 1 18 4552 1 1 7 ILE HG22 H -0.737 -6.222 5.314 1.00 . A A . 7 ILE HG22 1 1 18 4553 1 1 7 ILE HG23 H -1.027 -4.662 4.506 1.00 . A A . 7 ILE HG23 1 1 18 4554 1 1 7 ILE N N -4.446 -6.443 3.342 1.00 . A A . 7 ILE N 1 1 18 4555 1 1 7 ILE O O -1.841 -8.685 3.919 1.00 . A A . 7 ILE O 1 1 18 4556 1 1 8 ARG C C -4.271 -11.079 4.836 1.00 . A A . 8 ARG C 1 1 18 4557 1 1 8 ARG CA C -3.580 -10.034 5.767 1.00 . A A . 8 ARG CA 1 1 18 4558 1 1 8 ARG CB C -4.178 -10.081 7.208 1.00 . A A . 8 ARG CB 1 1 18 4559 1 1 8 ARG CD C -5.543 -8.346 8.661 1.00 . A A . 8 ARG CD 1 1 18 4560 1 1 8 ARG CG C -5.530 -9.332 7.472 1.00 . A A . 8 ARG CG 1 1 18 4561 1 1 8 ARG CZ C -4.150 -6.405 9.447 1.00 . A A . 8 ARG CZ 1 1 18 4562 1 1 8 ARG H H -4.479 -8.054 5.424 1.00 . A A . 8 ARG H 1 1 18 4563 1 1 8 ARG HA H -2.509 -10.296 5.873 1.00 . A A . 8 ARG HA 1 1 18 4564 1 1 8 ARG HB2 H -4.285 -11.136 7.531 1.00 . A A . 8 ARG HB2 1 1 18 4565 1 1 8 ARG HB3 H -3.397 -9.712 7.899 1.00 . A A . 8 ARG HB3 1 1 18 4566 1 1 8 ARG HD2 H -6.525 -7.830 8.681 1.00 . A A . 8 ARG HD2 1 1 18 4567 1 1 8 ARG HD3 H -5.475 -8.923 9.606 1.00 . A A . 8 ARG HD3 1 1 18 4568 1 1 8 ARG HE H -3.669 -7.541 7.892 1.00 . A A . 8 ARG HE 1 1 18 4569 1 1 8 ARG HG2 H -5.864 -8.787 6.567 1.00 . A A . 8 ARG HG2 1 1 18 4570 1 1 8 ARG HG3 H -6.329 -10.084 7.605 1.00 . A A . 8 ARG HG3 1 1 18 4571 1 1 8 ARG HH11 H -5.847 -6.567 10.428 1.00 . A A . 8 ARG HH11 1 1 18 4572 1 1 8 ARG HH12 H -4.679 -5.300 11.040 1.00 . A A . 8 ARG HH12 1 1 18 4573 1 1 8 ARG HH21 H -2.365 -6.093 8.623 1.00 . A A . 8 ARG HH21 1 1 18 4574 1 1 8 ARG HH22 H -2.809 -5.070 10.058 1.00 . A A . 8 ARG HH22 1 1 18 4575 1 1 8 ARG N N -3.660 -8.641 5.253 1.00 . A A . 8 ARG N 1 1 18 4576 1 1 8 ARG NE N -4.425 -7.362 8.560 1.00 . A A . 8 ARG NE 1 1 18 4577 1 1 8 ARG NH1 N -4.969 -6.047 10.404 1.00 . A A . 8 ARG NH1 1 1 18 4578 1 1 8 ARG NH2 N -3.006 -5.789 9.358 1.00 . A A . 8 ARG NH2 1 1 18 4579 1 1 8 ARG O O -5.421 -10.902 4.414 1.00 . A A . 8 ARG O 1 1 18 4580 1 1 9 LYS C C -4.983 -14.318 4.441 1.00 . A A . 9 LYS C 1 1 18 4581 1 1 9 LYS CA C -4.111 -13.279 3.676 1.00 . A A . 9 LYS CA 1 1 18 4582 1 1 9 LYS CB C -2.938 -13.925 2.882 1.00 . A A . 9 LYS CB 1 1 18 4583 1 1 9 LYS CD C -2.746 -12.982 0.420 1.00 . A A . 9 LYS CD 1 1 18 4584 1 1 9 LYS CE C -4.112 -12.283 0.290 1.00 . A A . 9 LYS CE 1 1 18 4585 1 1 9 LYS CG C -2.180 -13.033 1.859 1.00 . A A . 9 LYS CG 1 1 18 4586 1 1 9 LYS H H -2.638 -12.249 4.962 1.00 . A A . 9 LYS H 1 1 18 4587 1 1 9 LYS HA H -4.803 -12.829 2.945 1.00 . A A . 9 LYS HA 1 1 18 4588 1 1 9 LYS HB2 H -2.208 -14.321 3.616 1.00 . A A . 9 LYS HB2 1 1 18 4589 1 1 9 LYS HB3 H -3.299 -14.834 2.363 1.00 . A A . 9 LYS HB3 1 1 18 4590 1 1 9 LYS HD2 H -1.994 -12.458 -0.205 1.00 . A A . 9 LYS HD2 1 1 18 4591 1 1 9 LYS HD3 H -2.793 -14.008 0.003 1.00 . A A . 9 LYS HD3 1 1 18 4592 1 1 9 LYS HE2 H -4.906 -12.906 0.754 1.00 . A A . 9 LYS HE2 1 1 18 4593 1 1 9 LYS HE3 H -4.107 -11.334 0.874 1.00 . A A . 9 LYS HE3 1 1 18 4594 1 1 9 LYS HG2 H -2.044 -12.008 2.258 1.00 . A A . 9 LYS HG2 1 1 18 4595 1 1 9 LYS HG3 H -1.144 -13.421 1.786 1.00 . A A . 9 LYS HG3 1 1 18 4596 1 1 9 LYS HZ1 H -5.276 -11.409 -1.223 1.00 . A A . 9 LYS HZ1 1 1 18 4597 1 1 9 LYS HZ2 H -3.691 -11.509 -1.622 1.00 . A A . 9 LYS HZ2 1 1 18 4598 1 1 9 LYS HZ3 H -4.623 -12.864 -1.681 1.00 . A A . 9 LYS HZ3 1 1 18 4599 1 1 9 LYS N N -3.581 -12.203 4.564 1.00 . A A . 9 LYS N 1 1 18 4600 1 1 9 LYS NZ N -4.443 -12.012 -1.133 1.00 . A A . 9 LYS NZ 1 1 18 4601 1 1 9 LYS O O -4.537 -15.401 4.826 1.00 . A A . 9 LYS O 1 1 18 4602 1 1 10 VAL C C -8.691 -14.671 4.647 1.00 . A A . 10 VAL C 1 1 18 4603 1 1 10 VAL CA C -7.276 -14.777 5.327 1.00 . A A . 10 VAL CA 1 1 18 4604 1 1 10 VAL CB C -7.173 -14.513 6.883 1.00 . A A . 10 VAL CB 1 1 18 4605 1 1 10 VAL CG1 C -8.468 -14.104 7.608 1.00 . A A . 10 VAL CG1 1 1 18 4606 1 1 10 VAL CG2 C -6.569 -15.726 7.619 1.00 . A A . 10 VAL CG2 1 1 18 4607 1 1 10 VAL H H -6.391 -12.943 4.445 1.00 . A A . 10 VAL H 1 1 18 4608 1 1 10 VAL HA H -7.015 -15.840 5.146 1.00 . A A . 10 VAL HA 1 1 18 4609 1 1 10 VAL HB H -6.469 -13.676 7.071 1.00 . A A . 10 VAL HB 1 1 18 4610 1 1 10 VAL HG11 H -9.231 -14.904 7.551 1.00 . A A . 10 VAL HG11 1 1 18 4611 1 1 10 VAL HG12 H -8.283 -13.881 8.673 1.00 . A A . 10 VAL HG12 1 1 18 4612 1 1 10 VAL HG13 H -8.900 -13.193 7.159 1.00 . A A . 10 VAL HG13 1 1 18 4613 1 1 10 VAL HG21 H -7.212 -16.622 7.532 1.00 . A A . 10 VAL HG21 1 1 18 4614 1 1 10 VAL HG22 H -5.579 -15.996 7.204 1.00 . A A . 10 VAL HG22 1 1 18 4615 1 1 10 VAL HG23 H -6.417 -15.529 8.696 1.00 . A A . 10 VAL HG23 1 1 18 4616 1 1 10 VAL N N -6.258 -13.945 4.621 1.00 . A A . 10 VAL N 1 1 18 4617 1 1 10 VAL O O -9.329 -15.702 4.424 1.00 . A A . 10 VAL O 1 1 18 4618 1 1 11 ARG C C -10.283 -13.591 2.043 1.00 . A A . 11 ARG C 1 1 18 4619 1 1 11 ARG CA C -10.470 -13.289 3.568 1.00 . A A . 11 ARG CA 1 1 18 4620 1 1 11 ARG CB C -11.029 -11.850 3.772 1.00 . A A . 11 ARG CB 1 1 18 4621 1 1 11 ARG CD C -10.530 -10.615 6.014 1.00 . A A . 11 ARG CD 1 1 18 4622 1 1 11 ARG CG C -11.525 -11.459 5.190 1.00 . A A . 11 ARG CG 1 1 18 4623 1 1 11 ARG CZ C -10.851 -9.131 8.016 1.00 . A A . 11 ARG CZ 1 1 18 4624 1 1 11 ARG H H -8.560 -12.677 4.501 1.00 . A A . 11 ARG H 1 1 18 4625 1 1 11 ARG HA H -11.224 -13.992 3.980 1.00 . A A . 11 ARG HA 1 1 18 4626 1 1 11 ARG HB2 H -10.311 -11.102 3.380 1.00 . A A . 11 ARG HB2 1 1 18 4627 1 1 11 ARG HB3 H -11.900 -11.744 3.094 1.00 . A A . 11 ARG HB3 1 1 18 4628 1 1 11 ARG HD2 H -9.615 -11.196 6.247 1.00 . A A . 11 ARG HD2 1 1 18 4629 1 1 11 ARG HD3 H -10.197 -9.747 5.408 1.00 . A A . 11 ARG HD3 1 1 18 4630 1 1 11 ARG HE H -12.051 -10.653 7.594 1.00 . A A . 11 ARG HE 1 1 18 4631 1 1 11 ARG HG2 H -12.464 -10.881 5.068 1.00 . A A . 11 ARG HG2 1 1 18 4632 1 1 11 ARG HG3 H -11.829 -12.366 5.752 1.00 . A A . 11 ARG HG3 1 1 18 4633 1 1 11 ARG HH11 H -9.256 -8.695 6.965 1.00 . A A . 11 ARG HH11 1 1 18 4634 1 1 11 ARG HH12 H -9.621 -7.590 8.383 1.00 . A A . 11 ARG HH12 1 1 18 4635 1 1 11 ARG HH21 H -12.429 -9.394 9.194 1.00 . A A . 11 ARG HH21 1 1 18 4636 1 1 11 ARG HH22 H -11.324 -8.007 9.590 1.00 . A A . 11 ARG HH22 1 1 18 4637 1 1 11 ARG N N -9.192 -13.458 4.314 1.00 . A A . 11 ARG N 1 1 18 4638 1 1 11 ARG NE N -11.203 -10.179 7.270 1.00 . A A . 11 ARG NE 1 1 18 4639 1 1 11 ARG NH1 N -9.793 -8.395 7.780 1.00 . A A . 11 ARG NH1 1 1 18 4640 1 1 11 ARG NH2 N -11.600 -8.818 9.033 1.00 . A A . 11 ARG NH2 1 1 18 4641 1 1 11 ARG O O -9.609 -12.873 1.306 1.00 . A A . 11 ARG O 1 1 18 4642 1 1 12 NH2 HN1 H -10.651 -14.785 0.522 1.00 . A A . 12 NH2 HN1 1 1 18 4643 1 1 12 NH2 HN2 H -11.296 -15.321 2.155 1.00 . A A . 12 NH2 HN2 1 1 18 4644 1 1 12 NH2 N N -10.870 -14.646 1.512 1.00 . A A . 12 NH2 N 1 1 18 4645 2 2 1 DAO C1 C -0.427 1.659 0.377 1.00 . B A . 13 DAO C1 1 1 18 4646 2 2 1 DAO C10 C -1.499 4.946 8.247 1.00 . B A . 13 DAO C10 1 1 18 4647 2 2 1 DAO C11 C -2.795 4.502 8.955 1.00 . B A . 13 DAO C11 1 1 18 4648 2 2 1 DAO C12 C -3.082 5.330 10.215 1.00 . B A . 13 DAO C12 1 1 18 4649 2 2 1 DAO C2 C -1.468 0.939 1.227 1.00 . B A . 13 DAO C2 1 1 18 4650 2 2 1 DAO C3 C -2.757 1.695 1.588 1.00 . B A . 13 DAO C3 1 1 18 4651 2 2 1 DAO C4 C -2.518 2.825 2.606 1.00 . B A . 13 DAO C4 1 1 18 4652 2 2 1 DAO C5 C -3.820 3.518 3.052 1.00 . B A . 13 DAO C5 1 1 18 4653 2 2 1 DAO C6 C -3.636 4.741 3.980 1.00 . B A . 13 DAO C6 1 1 18 4654 2 2 1 DAO C7 C -3.161 4.443 5.423 1.00 . B A . 13 DAO C7 1 1 18 4655 2 2 1 DAO C8 C -1.639 4.583 5.639 1.00 . B A . 13 DAO C8 1 1 18 4656 2 2 1 DAO C9 C -1.114 4.099 7.010 1.00 . B A . 13 DAO C9 1 1 18 4657 2 2 1 DAO H101 H -0.670 4.884 8.980 1.00 . B A . 13 DAO H101 1 1 18 4658 2 2 1 DAO H102 H -1.553 6.018 7.976 1.00 . B A . 13 DAO H102 1 1 18 4659 2 2 1 DAO H111 H -3.658 4.576 8.269 1.00 . B A . 13 DAO H111 1 1 18 4660 2 2 1 DAO H112 H -2.728 3.431 9.228 1.00 . B A . 13 DAO H112 1 1 18 4661 2 2 1 DAO H121 H -2.272 5.236 10.963 1.00 . B A . 13 DAO H121 1 1 18 4662 2 2 1 DAO H122 H -3.196 6.406 9.985 1.00 . B A . 13 DAO H122 1 1 18 4663 2 2 1 DAO H123 H -4.016 5.002 10.707 1.00 . B A . 13 DAO H123 1 1 18 4664 2 2 1 DAO H21 H -1.727 0.009 0.702 1.00 . B A . 13 DAO H21 1 1 18 4665 2 2 1 DAO H22 H -0.978 0.604 2.155 1.00 . B A . 13 DAO H22 1 1 18 4666 2 2 1 DAO H31 H -3.230 2.078 0.664 1.00 . B A . 13 DAO H31 1 1 18 4667 2 2 1 DAO H32 H -3.470 0.959 2.007 1.00 . B A . 13 DAO H32 1 1 18 4668 2 2 1 DAO H41 H -1.998 2.395 3.481 1.00 . B A . 13 DAO H41 1 1 18 4669 2 2 1 DAO H42 H -1.823 3.574 2.178 1.00 . B A . 13 DAO H42 1 1 18 4670 2 2 1 DAO H51 H -4.492 2.783 3.534 1.00 . B A . 13 DAO H51 1 1 18 4671 2 2 1 DAO H52 H -4.366 3.854 2.149 1.00 . B A . 13 DAO H52 1 1 18 4672 2 2 1 DAO H61 H -2.987 5.498 3.499 1.00 . B A . 13 DAO H61 1 1 18 4673 2 2 1 DAO H62 H -4.621 5.242 4.051 1.00 . B A . 13 DAO H62 1 1 18 4674 2 2 1 DAO H71 H -3.667 5.154 6.103 1.00 . B A . 13 DAO H71 1 1 18 4675 2 2 1 DAO H72 H -3.511 3.443 5.744 1.00 . B A . 13 DAO H72 1 1 18 4676 2 2 1 DAO H81 H -1.105 4.017 4.853 1.00 . B A . 13 DAO H81 1 1 18 4677 2 2 1 DAO H82 H -1.336 5.635 5.476 1.00 . B A . 13 DAO H82 1 1 18 4678 2 2 1 DAO H91 H -0.009 4.095 6.945 1.00 . B A . 13 DAO H91 1 1 18 4679 2 2 1 DAO H92 H -1.375 3.035 7.168 1.00 . B A . 13 DAO H92 1 1 18 4680 2 2 1 DAO O1 O -0.719 2.462 -0.508 1.00 . B A . 13 DAO O1 1 1 19 4681 1 1 1 PHE C C 3.159 -3.174 -0.957 1.00 . A A . 1 PHE C 1 1 19 4682 1 1 1 PHE CA C 3.541 -1.997 -0.011 1.00 . A A . 1 PHE CA 1 1 19 4683 1 1 1 PHE CB C 5.004 -2.091 0.534 1.00 . A A . 1 PHE CB 1 1 19 4684 1 1 1 PHE CD1 C 5.264 0.182 1.686 1.00 . A A . 1 PHE CD1 1 1 19 4685 1 1 1 PHE CD2 C 5.716 -1.822 2.957 1.00 . A A . 1 PHE CD2 1 1 19 4686 1 1 1 PHE CE1 C 5.476 0.951 2.827 1.00 . A A . 1 PHE CE1 1 1 19 4687 1 1 1 PHE CE2 C 5.936 -1.052 4.094 1.00 . A A . 1 PHE CE2 1 1 19 4688 1 1 1 PHE CG C 5.377 -1.211 1.744 1.00 . A A . 1 PHE CG 1 1 19 4689 1 1 1 PHE CZ C 5.815 0.334 4.030 1.00 . A A . 1 PHE CZ 1 1 19 4690 1 1 1 PHE H1 H 2.997 -1.728 1.986 1.00 . A A . 1 PHE H1 1 1 19 4691 1 1 1 PHE HA H 3.507 -1.079 -0.630 1.00 . A A . 1 PHE HA 1 1 19 4692 1 1 1 PHE HB2 H 5.244 -3.147 0.767 1.00 . A A . 1 PHE HB2 1 1 19 4693 1 1 1 PHE HB3 H 5.696 -1.857 -0.294 1.00 . A A . 1 PHE HB3 1 1 19 4694 1 1 1 PHE HD1 H 4.962 0.670 0.769 1.00 . A A . 1 PHE HD1 1 1 19 4695 1 1 1 PHE HD2 H 5.782 -2.898 3.033 1.00 . A A . 1 PHE HD2 1 1 19 4696 1 1 1 PHE HE1 H 5.354 2.022 2.777 1.00 . A A . 1 PHE HE1 1 1 19 4697 1 1 1 PHE HE2 H 6.180 -1.542 5.025 1.00 . A A . 1 PHE HE2 1 1 19 4698 1 1 1 PHE HZ H 5.973 0.931 4.918 1.00 . A A . 1 PHE HZ 1 1 19 4699 1 1 1 PHE N N 2.527 -1.892 1.091 1.00 . A A . 1 PHE N 1 1 19 4700 1 1 1 PHE O O 2.885 -2.966 -2.140 1.00 . A A . 1 PHE O 1 1 19 4701 1 1 2 GLN C C 0.870 -5.540 -1.253 1.00 . A A . 2 GLN C 1 1 19 4702 1 1 2 GLN CA C 2.433 -5.567 -1.072 1.00 . A A . 2 GLN CA 1 1 19 4703 1 1 2 GLN CB C 2.966 -6.868 -0.400 1.00 . A A . 2 GLN CB 1 1 19 4704 1 1 2 GLN CD C 1.442 -7.910 1.476 1.00 . A A . 2 GLN CD 1 1 19 4705 1 1 2 GLN CG C 2.713 -7.123 1.117 1.00 . A A . 2 GLN CG 1 1 19 4706 1 1 2 GLN H H 3.354 -4.384 0.584 1.00 . A A . 2 GLN H 1 1 19 4707 1 1 2 GLN HA H 2.810 -5.599 -2.114 1.00 . A A . 2 GLN HA 1 1 19 4708 1 1 2 GLN HB2 H 2.607 -7.740 -0.980 1.00 . A A . 2 GLN HB2 1 1 19 4709 1 1 2 GLN HB3 H 4.061 -6.886 -0.557 1.00 . A A . 2 GLN HB3 1 1 19 4710 1 1 2 GLN HE21 H 2.501 -9.291 2.460 1.00 . A A . 2 GLN HE21 1 1 19 4711 1 1 2 GLN HE22 H 0.661 -9.421 2.443 1.00 . A A . 2 GLN HE22 1 1 19 4712 1 1 2 GLN HG2 H 3.602 -7.643 1.525 1.00 . A A . 2 GLN HG2 1 1 19 4713 1 1 2 GLN HG3 H 2.688 -6.171 1.674 1.00 . A A . 2 GLN HG3 1 1 19 4714 1 1 2 GLN N N 3.094 -4.401 -0.408 1.00 . A A . 2 GLN N 1 1 19 4715 1 1 2 GLN NE2 N 1.561 -9.023 2.159 1.00 . A A . 2 GLN NE2 1 1 19 4716 1 1 2 GLN O O 0.352 -6.361 -2.014 1.00 . A A . 2 GLN O 1 1 19 4717 1 1 2 GLN OE1 O 0.318 -7.523 1.187 1.00 . A A . 2 GLN OE1 1 1 19 4718 1 1 3 TRP C C -1.754 -2.995 -1.146 1.00 . A A . 3 TRP C 1 1 19 4719 1 1 3 TRP CA C -1.341 -4.459 -0.781 1.00 . A A . 3 TRP CA 1 1 19 4720 1 1 3 TRP CB C -2.073 -5.010 0.480 1.00 . A A . 3 TRP CB 1 1 19 4721 1 1 3 TRP CD1 C -3.157 -3.327 2.156 1.00 . A A . 3 TRP CD1 1 1 19 4722 1 1 3 TRP CD2 C -1.114 -3.976 2.736 1.00 . A A . 3 TRP CD2 1 1 19 4723 1 1 3 TRP CE2 C -1.624 -3.073 3.705 1.00 . A A . 3 TRP CE2 1 1 19 4724 1 1 3 TRP CE3 C 0.203 -4.482 2.857 1.00 . A A . 3 TRP CE3 1 1 19 4725 1 1 3 TRP CG C -2.082 -4.149 1.762 1.00 . A A . 3 TRP CG 1 1 19 4726 1 1 3 TRP CH2 C 0.456 -3.229 4.930 1.00 . A A . 3 TRP CH2 1 1 19 4727 1 1 3 TRP CZ2 C -0.831 -2.699 4.815 1.00 . A A . 3 TRP CZ2 1 1 19 4728 1 1 3 TRP CZ3 C 0.967 -4.103 3.961 1.00 . A A . 3 TRP CZ3 1 1 19 4729 1 1 3 TRP H H 0.676 -3.937 -0.070 1.00 . A A . 3 TRP H 1 1 19 4730 1 1 3 TRP HA H -1.669 -5.088 -1.633 1.00 . A A . 3 TRP HA 1 1 19 4731 1 1 3 TRP HB2 H -3.123 -5.210 0.200 1.00 . A A . 3 TRP HB2 1 1 19 4732 1 1 3 TRP HB3 H -1.698 -6.019 0.707 1.00 . A A . 3 TRP HB3 1 1 19 4733 1 1 3 TRP HD1 H -4.070 -3.231 1.593 1.00 . A A . 3 TRP HD1 1 1 19 4734 1 1 3 TRP HE1 H -3.470 -1.932 3.818 1.00 . A A . 3 TRP HE1 1 1 19 4735 1 1 3 TRP HE3 H 0.618 -5.114 2.089 1.00 . A A . 3 TRP HE3 1 1 19 4736 1 1 3 TRP HH2 H 1.074 -2.946 5.770 1.00 . A A . 3 TRP HH2 1 1 19 4737 1 1 3 TRP HZ2 H -1.209 -2.006 5.553 1.00 . A A . 3 TRP HZ2 1 1 19 4738 1 1 3 TRP HZ3 H 1.975 -4.479 4.064 1.00 . A A . 3 TRP HZ3 1 1 19 4739 1 1 3 TRP N N 0.129 -4.618 -0.605 1.00 . A A . 3 TRP N 1 1 19 4740 1 1 3 TRP NE1 N -2.893 -2.643 3.355 1.00 . A A . 3 TRP NE1 1 1 19 4741 1 1 3 TRP O O -0.986 -2.037 -1.018 1.00 . A A . 3 TRP O 1 1 19 4742 1 1 4 GLN C C -5.046 -1.352 -0.985 1.00 . A A . 4 GLN C 1 1 19 4743 1 1 4 GLN CA C -3.665 -1.493 -1.710 1.00 . A A . 4 GLN CA 1 1 19 4744 1 1 4 GLN CB C -3.586 -1.039 -3.192 1.00 . A A . 4 GLN CB 1 1 19 4745 1 1 4 GLN CD C -5.491 -0.955 -4.976 1.00 . A A . 4 GLN CD 1 1 19 4746 1 1 4 GLN CG C -4.455 -1.803 -4.234 1.00 . A A . 4 GLN CG 1 1 19 4747 1 1 4 GLN H H -3.517 -3.725 -1.667 1.00 . A A . 4 GLN H 1 1 19 4748 1 1 4 GLN HA H -3.055 -0.740 -1.183 1.00 . A A . 4 GLN HA 1 1 19 4749 1 1 4 GLN HB2 H -3.794 0.049 -3.231 1.00 . A A . 4 GLN HB2 1 1 19 4750 1 1 4 GLN HB3 H -2.527 -1.091 -3.514 1.00 . A A . 4 GLN HB3 1 1 19 4751 1 1 4 GLN HE21 H -6.269 -0.405 -3.256 1.00 . A A . 4 GLN HE21 1 1 19 4752 1 1 4 GLN HE22 H -6.945 0.329 -4.801 1.00 . A A . 4 GLN HE22 1 1 19 4753 1 1 4 GLN HG2 H -3.783 -2.264 -4.980 1.00 . A A . 4 GLN HG2 1 1 19 4754 1 1 4 GLN HG3 H -4.966 -2.675 -3.789 1.00 . A A . 4 GLN HG3 1 1 19 4755 1 1 4 GLN N N -3.026 -2.835 -1.546 1.00 . A A . 4 GLN N 1 1 19 4756 1 1 4 GLN NE2 N -6.430 -0.374 -4.268 1.00 . A A . 4 GLN NE2 1 1 19 4757 1 1 4 GLN O O -5.211 -0.438 -0.173 1.00 . A A . 4 GLN O 1 1 19 4758 1 1 4 GLN OE1 O -5.462 -0.794 -6.190 1.00 . A A . 4 GLN OE1 1 1 19 4759 1 1 5 ARG C C -7.720 -3.720 -0.019 1.00 . A A . 5 ARG C 1 1 19 4760 1 1 5 ARG CA C -7.322 -2.270 -0.482 1.00 . A A . 5 ARG CA 1 1 19 4761 1 1 5 ARG CB C -8.380 -1.505 -1.327 1.00 . A A . 5 ARG CB 1 1 19 4762 1 1 5 ARG CD C -10.486 -0.068 -0.734 1.00 . A A . 5 ARG CD 1 1 19 4763 1 1 5 ARG CG C -9.800 -1.449 -0.705 1.00 . A A . 5 ARG CG 1 1 19 4764 1 1 5 ARG CZ C -10.575 0.802 1.627 1.00 . A A . 5 ARG CZ 1 1 19 4765 1 1 5 ARG H H -5.783 -2.937 -1.944 1.00 . A A . 5 ARG H 1 1 19 4766 1 1 5 ARG HA H -7.222 -1.690 0.461 1.00 . A A . 5 ARG HA 1 1 19 4767 1 1 5 ARG HB2 H -8.004 -0.478 -1.501 1.00 . A A . 5 ARG HB2 1 1 19 4768 1 1 5 ARG HB3 H -8.448 -1.952 -2.339 1.00 . A A . 5 ARG HB3 1 1 19 4769 1 1 5 ARG HD2 H -10.270 0.446 -1.693 1.00 . A A . 5 ARG HD2 1 1 19 4770 1 1 5 ARG HD3 H -11.589 -0.180 -0.748 1.00 . A A . 5 ARG HD3 1 1 19 4771 1 1 5 ARG HE H -9.164 1.325 0.330 1.00 . A A . 5 ARG HE 1 1 19 4772 1 1 5 ARG HG2 H -10.420 -2.194 -1.240 1.00 . A A . 5 ARG HG2 1 1 19 4773 1 1 5 ARG HG3 H -9.784 -1.841 0.334 1.00 . A A . 5 ARG HG3 1 1 19 4774 1 1 5 ARG HH11 H -11.985 -0.499 1.215 1.00 . A A . 5 ARG HH11 1 1 19 4775 1 1 5 ARG HH12 H -11.986 0.169 2.918 1.00 . A A . 5 ARG HH12 1 1 19 4776 1 1 5 ARG HH21 H -9.225 2.118 2.251 1.00 . A A . 5 ARG HH21 1 1 19 4777 1 1 5 ARG HH22 H -10.476 1.573 3.455 1.00 . A A . 5 ARG HH22 1 1 19 4778 1 1 5 ARG N N -6.033 -2.233 -1.244 1.00 . A A . 5 ARG N 1 1 19 4779 1 1 5 ARG NE N -10.023 0.773 0.410 1.00 . A A . 5 ARG NE 1 1 19 4780 1 1 5 ARG NH1 N -11.627 0.096 1.965 1.00 . A A . 5 ARG NH1 1 1 19 4781 1 1 5 ARG NH2 N -10.037 1.566 2.533 1.00 . A A . 5 ARG NH2 1 1 19 4782 1 1 5 ARG O O -8.809 -4.225 -0.301 1.00 . A A . 5 ARG O 1 1 19 4783 1 1 6 ASN C C -5.804 -5.896 2.368 1.00 . A A . 6 ASN C 1 1 19 4784 1 1 6 ASN CA C -7.062 -5.634 1.479 1.00 . A A . 6 ASN CA 1 1 19 4785 1 1 6 ASN CB C -7.327 -6.828 0.510 1.00 . A A . 6 ASN CB 1 1 19 4786 1 1 6 ASN CG C -7.735 -8.145 1.184 1.00 . A A . 6 ASN CG 1 1 19 4787 1 1 6 ASN H H -5.984 -3.792 0.868 1.00 . A A . 6 ASN H 1 1 19 4788 1 1 6 ASN HA H -7.954 -5.516 2.129 1.00 . A A . 6 ASN HA 1 1 19 4789 1 1 6 ASN HB2 H -8.146 -6.559 -0.176 1.00 . A A . 6 ASN HB2 1 1 19 4790 1 1 6 ASN HB3 H -6.457 -6.984 -0.157 1.00 . A A . 6 ASN HB3 1 1 19 4791 1 1 6 ASN HD21 H -5.847 -8.675 1.367 1.00 . A A . 6 ASN HD21 1 1 19 4792 1 1 6 ASN HD22 H -7.128 -9.812 2.006 1.00 . A A . 6 ASN HD22 1 1 19 4793 1 1 6 ASN N N -6.831 -4.346 0.765 1.00 . A A . 6 ASN N 1 1 19 4794 1 1 6 ASN ND2 N -6.804 -9.038 1.418 1.00 . A A . 6 ASN ND2 1 1 19 4795 1 1 6 ASN O O -4.757 -6.291 1.847 1.00 . A A . 6 ASN O 1 1 19 4796 1 1 6 ASN OD1 O -8.889 -8.376 1.527 1.00 . A A . 6 ASN OD1 1 1 19 4797 1 1 7 ILE C C -4.618 -7.614 4.839 1.00 . A A . 7 ILE C 1 1 19 4798 1 1 7 ILE CA C -4.802 -6.059 4.645 1.00 . A A . 7 ILE CA 1 1 19 4799 1 1 7 ILE CB C -5.152 -5.144 5.889 1.00 . A A . 7 ILE CB 1 1 19 4800 1 1 7 ILE CD1 C -2.950 -5.204 7.389 1.00 . A A . 7 ILE CD1 1 1 19 4801 1 1 7 ILE CG1 C -3.945 -4.425 6.510 1.00 . A A . 7 ILE CG1 1 1 19 4802 1 1 7 ILE CG2 C -6.115 -5.714 6.957 1.00 . A A . 7 ILE CG2 1 1 19 4803 1 1 7 ILE H H -6.629 -5.147 4.103 1.00 . A A . 7 ILE H 1 1 19 4804 1 1 7 ILE HA H -3.856 -5.693 4.192 1.00 . A A . 7 ILE HA 1 1 19 4805 1 1 7 ILE HB H -5.704 -4.248 5.523 1.00 . A A . 7 ILE HB 1 1 19 4806 1 1 7 ILE HD11 H -3.445 -5.719 8.234 1.00 . A A . 7 ILE HD11 1 1 19 4807 1 1 7 ILE HD12 H -2.369 -5.946 6.813 1.00 . A A . 7 ILE HD12 1 1 19 4808 1 1 7 ILE HD13 H -2.207 -4.516 7.834 1.00 . A A . 7 ILE HD13 1 1 19 4809 1 1 7 ILE HG12 H -3.400 -3.935 5.688 1.00 . A A . 7 ILE HG12 1 1 19 4810 1 1 7 ILE HG13 H -4.370 -3.583 7.078 1.00 . A A . 7 ILE HG13 1 1 19 4811 1 1 7 ILE HG21 H -7.021 -6.159 6.506 1.00 . A A . 7 ILE HG21 1 1 19 4812 1 1 7 ILE HG22 H -5.631 -6.483 7.579 1.00 . A A . 7 ILE HG22 1 1 19 4813 1 1 7 ILE HG23 H -6.461 -4.925 7.653 1.00 . A A . 7 ILE HG23 1 1 19 4814 1 1 7 ILE N N -5.903 -5.743 3.701 1.00 . A A . 7 ILE N 1 1 19 4815 1 1 7 ILE O O -5.110 -8.425 4.045 1.00 . A A . 7 ILE O 1 1 19 4816 1 1 8 ARG C C -2.811 -10.283 5.237 1.00 . A A . 8 ARG C 1 1 19 4817 1 1 8 ARG CA C -3.766 -9.513 6.237 1.00 . A A . 8 ARG CA 1 1 19 4818 1 1 8 ARG CB C -5.146 -10.224 6.518 1.00 . A A . 8 ARG CB 1 1 19 4819 1 1 8 ARG CD C -7.354 -10.198 7.941 1.00 . A A . 8 ARG CD 1 1 19 4820 1 1 8 ARG CG C -6.278 -9.394 7.189 1.00 . A A . 8 ARG CG 1 1 19 4821 1 1 8 ARG CZ C -7.556 -10.755 10.389 1.00 . A A . 8 ARG CZ 1 1 19 4822 1 1 8 ARG H H -3.550 -7.302 6.486 1.00 . A A . 8 ARG H 1 1 19 4823 1 1 8 ARG HA H -3.230 -9.529 7.205 1.00 . A A . 8 ARG HA 1 1 19 4824 1 1 8 ARG HB2 H -5.546 -10.612 5.559 1.00 . A A . 8 ARG HB2 1 1 19 4825 1 1 8 ARG HB3 H -4.949 -11.132 7.118 1.00 . A A . 8 ARG HB3 1 1 19 4826 1 1 8 ARG HD2 H -8.262 -9.564 8.013 1.00 . A A . 8 ARG HD2 1 1 19 4827 1 1 8 ARG HD3 H -7.655 -11.094 7.358 1.00 . A A . 8 ARG HD3 1 1 19 4828 1 1 8 ARG HE H -5.816 -10.633 9.432 1.00 . A A . 8 ARG HE 1 1 19 4829 1 1 8 ARG HG2 H -5.847 -8.624 7.857 1.00 . A A . 8 ARG HG2 1 1 19 4830 1 1 8 ARG HG3 H -6.766 -8.792 6.392 1.00 . A A . 8 ARG HG3 1 1 19 4831 1 1 8 ARG HH11 H -9.295 -10.517 9.507 1.00 . A A . 8 ARG HH11 1 1 19 4832 1 1 8 ARG HH12 H -9.341 -10.839 11.308 1.00 . A A . 8 ARG HH12 1 1 19 4833 1 1 8 ARG HH21 H -5.912 -11.020 11.473 1.00 . A A . 8 ARG HH21 1 1 19 4834 1 1 8 ARG HH22 H -7.505 -11.115 12.344 1.00 . A A . 8 ARG HH22 1 1 19 4835 1 1 8 ARG N N -3.914 -8.057 5.896 1.00 . A A . 8 ARG N 1 1 19 4836 1 1 8 ARG NE N -6.829 -10.578 9.285 1.00 . A A . 8 ARG NE 1 1 19 4837 1 1 8 ARG NH1 N -8.865 -10.704 10.414 1.00 . A A . 8 ARG NH1 1 1 19 4838 1 1 8 ARG NH2 N -6.932 -10.991 11.507 1.00 . A A . 8 ARG NH2 1 1 19 4839 1 1 8 ARG O O -2.139 -9.681 4.391 1.00 . A A . 8 ARG O 1 1 19 4840 1 1 9 LYS C C -3.355 -12.881 3.221 1.00 . A A . 9 LYS C 1 1 19 4841 1 1 9 LYS CA C -2.204 -12.460 4.191 1.00 . A A . 9 LYS CA 1 1 19 4842 1 1 9 LYS CB C -1.394 -13.615 4.844 1.00 . A A . 9 LYS CB 1 1 19 4843 1 1 9 LYS CD C 0.253 -15.570 4.558 1.00 . A A . 9 LYS CD 1 1 19 4844 1 1 9 LYS CE C 0.755 -16.741 3.688 1.00 . A A . 9 LYS CE 1 1 19 4845 1 1 9 LYS CG C -0.689 -14.567 3.849 1.00 . A A . 9 LYS CG 1 1 19 4846 1 1 9 LYS H H -3.356 -12.047 6.014 1.00 . A A . 9 LYS H 1 1 19 4847 1 1 9 LYS HA H -1.480 -11.880 3.579 1.00 . A A . 9 LYS HA 1 1 19 4848 1 1 9 LYS HB2 H -0.634 -13.173 5.519 1.00 . A A . 9 LYS HB2 1 1 19 4849 1 1 9 LYS HB3 H -2.059 -14.208 5.502 1.00 . A A . 9 LYS HB3 1 1 19 4850 1 1 9 LYS HD2 H 1.106 -15.028 5.016 1.00 . A A . 9 LYS HD2 1 1 19 4851 1 1 9 LYS HD3 H -0.287 -16.005 5.424 1.00 . A A . 9 LYS HD3 1 1 19 4852 1 1 9 LYS HE2 H 1.255 -17.490 4.343 1.00 . A A . 9 LYS HE2 1 1 19 4853 1 1 9 LYS HE3 H -0.115 -17.290 3.261 1.00 . A A . 9 LYS HE3 1 1 19 4854 1 1 9 LYS HG2 H -1.463 -15.112 3.273 1.00 . A A . 9 LYS HG2 1 1 19 4855 1 1 9 LYS HG3 H -0.124 -13.973 3.105 1.00 . A A . 9 LYS HG3 1 1 19 4856 1 1 9 LYS HZ1 H 2.044 -17.061 2.032 1.00 . A A . 9 LYS HZ1 1 1 19 4857 1 1 9 LYS HZ2 H 1.240 -15.629 1.967 1.00 . A A . 9 LYS HZ2 1 1 19 4858 1 1 9 LYS HZ3 H 2.511 -15.804 2.986 1.00 . A A . 9 LYS HZ3 1 1 19 4859 1 1 9 LYS N N -2.754 -11.629 5.301 1.00 . A A . 9 LYS N 1 1 19 4860 1 1 9 LYS NZ N 1.685 -16.292 2.614 1.00 . A A . 9 LYS NZ 1 1 19 4861 1 1 9 LYS O O -3.898 -13.986 3.307 1.00 . A A . 9 LYS O 1 1 19 4862 1 1 10 VAL C C -6.142 -12.598 1.660 1.00 . A A . 10 VAL C 1 1 19 4863 1 1 10 VAL CA C -4.688 -12.195 1.198 1.00 . A A . 10 VAL CA 1 1 19 4864 1 1 10 VAL CB C -3.969 -12.907 -0.016 1.00 . A A . 10 VAL CB 1 1 19 4865 1 1 10 VAL CG1 C -3.878 -14.450 0.033 1.00 . A A . 10 VAL CG1 1 1 19 4866 1 1 10 VAL CG2 C -4.516 -12.460 -1.384 1.00 . A A . 10 VAL CG2 1 1 19 4867 1 1 10 VAL H H -3.228 -11.061 2.405 1.00 . A A . 10 VAL H 1 1 19 4868 1 1 10 VAL HA H -4.874 -11.166 0.838 1.00 . A A . 10 VAL HA 1 1 19 4869 1 1 10 VAL HB H -2.921 -12.554 -0.029 1.00 . A A . 10 VAL HB 1 1 19 4870 1 1 10 VAL HG11 H -4.861 -14.950 -0.024 1.00 . A A . 10 VAL HG11 1 1 19 4871 1 1 10 VAL HG12 H -3.270 -14.848 -0.801 1.00 . A A . 10 VAL HG12 1 1 19 4872 1 1 10 VAL HG13 H -3.394 -14.801 0.962 1.00 . A A . 10 VAL HG13 1 1 19 4873 1 1 10 VAL HG21 H -3.905 -12.866 -2.211 1.00 . A A . 10 VAL HG21 1 1 19 4874 1 1 10 VAL HG22 H -5.559 -12.776 -1.556 1.00 . A A . 10 VAL HG22 1 1 19 4875 1 1 10 VAL HG23 H -4.483 -11.359 -1.485 1.00 . A A . 10 VAL HG23 1 1 19 4876 1 1 10 VAL N N -3.697 -11.967 2.292 1.00 . A A . 10 VAL N 1 1 19 4877 1 1 10 VAL O O -6.598 -12.183 2.731 1.00 . A A . 10 VAL O 1 1 19 4878 1 1 11 ARG C C -8.552 -15.188 0.418 1.00 . A A . 11 ARG C 1 1 19 4879 1 1 11 ARG CA C -8.246 -13.864 1.192 1.00 . A A . 11 ARG CA 1 1 19 4880 1 1 11 ARG CB C -9.337 -12.757 1.040 1.00 . A A . 11 ARG CB 1 1 19 4881 1 1 11 ARG CD C -10.861 -13.061 3.123 1.00 . A A . 11 ARG CD 1 1 19 4882 1 1 11 ARG CG C -10.749 -13.093 1.585 1.00 . A A . 11 ARG CG 1 1 19 4883 1 1 11 ARG CZ C -12.774 -13.212 4.743 1.00 . A A . 11 ARG CZ 1 1 19 4884 1 1 11 ARG H H -6.366 -13.655 0.013 1.00 . A A . 11 ARG H 1 1 19 4885 1 1 11 ARG HA H -8.217 -14.159 2.260 1.00 . A A . 11 ARG HA 1 1 19 4886 1 1 11 ARG HB2 H -8.987 -11.821 1.520 1.00 . A A . 11 ARG HB2 1 1 19 4887 1 1 11 ARG HB3 H -9.422 -12.487 -0.030 1.00 . A A . 11 ARG HB3 1 1 19 4888 1 1 11 ARG HD2 H -10.173 -13.805 3.577 1.00 . A A . 11 ARG HD2 1 1 19 4889 1 1 11 ARG HD3 H -10.532 -12.066 3.492 1.00 . A A . 11 ARG HD3 1 1 19 4890 1 1 11 ARG HE H -12.945 -13.682 2.822 1.00 . A A . 11 ARG HE 1 1 19 4891 1 1 11 ARG HG2 H -11.461 -12.360 1.158 1.00 . A A . 11 ARG HG2 1 1 19 4892 1 1 11 ARG HG3 H -11.080 -14.075 1.190 1.00 . A A . 11 ARG HG3 1 1 19 4893 1 1 11 ARG HH11 H -11.093 -12.620 5.555 1.00 . A A . 11 ARG HH11 1 1 19 4894 1 1 11 ARG HH12 H -12.537 -12.734 6.680 1.00 . A A . 11 ARG HH12 1 1 19 4895 1 1 11 ARG HH21 H -14.562 -13.807 4.115 1.00 . A A . 11 ARG HH21 1 1 19 4896 1 1 11 ARG HH22 H -14.401 -13.381 5.876 1.00 . A A . 11 ARG HH22 1 1 19 4897 1 1 11 ARG N N -6.899 -13.334 0.830 1.00 . A A . 11 ARG N 1 1 19 4898 1 1 11 ARG NE N -12.271 -13.346 3.516 1.00 . A A . 11 ARG NE 1 1 19 4899 1 1 11 ARG NH1 N -12.072 -12.812 5.774 1.00 . A A . 11 ARG NH1 1 1 19 4900 1 1 11 ARG NH2 N -14.032 -13.494 4.930 1.00 . A A . 11 ARG NH2 1 1 19 4901 1 1 11 ARG O O -8.679 -16.254 1.012 1.00 . A A . 11 ARG O 1 1 19 4902 1 1 12 NH2 HN1 H -8.909 -16.135 -1.280 1.00 . A A . 12 NH2 HN1 1 1 19 4903 1 1 12 NH2 HN2 H -8.628 -14.318 -1.400 1.00 . A A . 12 NH2 HN2 1 1 19 4904 1 1 12 NH2 N N -8.704 -15.207 -0.897 1.00 . A A . 12 NH2 N 1 1 19 4905 2 2 1 DAO C1 C 1.411 -0.646 0.873 1.00 . B A . 13 DAO C1 1 1 19 4906 2 2 1 DAO C10 C 0.996 8.295 1.611 1.00 . B A . 13 DAO C10 1 1 19 4907 2 2 1 DAO C11 C 0.639 9.608 0.889 1.00 . B A . 13 DAO C11 1 1 19 4908 2 2 1 DAO C12 C 0.326 10.748 1.866 1.00 . B A . 13 DAO C12 1 1 19 4909 2 2 1 DAO C2 C 0.254 -0.700 1.866 1.00 . B A . 13 DAO C2 1 1 19 4910 2 2 1 DAO C3 C -0.361 0.646 2.274 1.00 . B A . 13 DAO C3 1 1 19 4911 2 2 1 DAO C4 C 0.463 1.367 3.359 1.00 . B A . 13 DAO C4 1 1 19 4912 2 2 1 DAO C5 C 0.222 2.892 3.399 1.00 . B A . 13 DAO C5 1 1 19 4913 2 2 1 DAO C6 C 1.122 3.636 2.389 1.00 . B A . 13 DAO C6 1 1 19 4914 2 2 1 DAO C7 C 0.717 5.101 2.141 1.00 . B A . 13 DAO C7 1 1 19 4915 2 2 1 DAO C8 C 1.744 5.826 1.243 1.00 . B A . 13 DAO C8 1 1 19 4916 2 2 1 DAO C9 C 1.259 7.148 0.615 1.00 . B A . 13 DAO C9 1 1 19 4917 2 2 1 DAO H101 H 0.177 8.010 2.300 1.00 . B A . 13 DAO H101 1 1 19 4918 2 2 1 DAO H102 H 1.886 8.450 2.251 1.00 . B A . 13 DAO H102 1 1 19 4919 2 2 1 DAO H111 H 1.472 9.912 0.226 1.00 . B A . 13 DAO H111 1 1 19 4920 2 2 1 DAO H112 H -0.230 9.450 0.220 1.00 . B A . 13 DAO H112 1 1 19 4921 2 2 1 DAO H121 H 0.090 11.684 1.326 1.00 . B A . 13 DAO H121 1 1 19 4922 2 2 1 DAO H122 H -0.546 10.513 2.505 1.00 . B A . 13 DAO H122 1 1 19 4923 2 2 1 DAO H123 H 1.180 10.965 2.534 1.00 . B A . 13 DAO H123 1 1 19 4924 2 2 1 DAO H21 H -0.529 -1.331 1.427 1.00 . B A . 13 DAO H21 1 1 19 4925 2 2 1 DAO H22 H 0.585 -1.251 2.764 1.00 . B A . 13 DAO H22 1 1 19 4926 2 2 1 DAO H31 H -0.495 1.272 1.371 1.00 . B A . 13 DAO H31 1 1 19 4927 2 2 1 DAO H32 H -1.385 0.468 2.656 1.00 . B A . 13 DAO H32 1 1 19 4928 2 2 1 DAO H41 H 0.208 0.896 4.324 1.00 . B A . 13 DAO H41 1 1 19 4929 2 2 1 DAO H42 H 1.547 1.169 3.237 1.00 . B A . 13 DAO H42 1 1 19 4930 2 2 1 DAO H51 H 0.431 3.275 4.416 1.00 . B A . 13 DAO H51 1 1 19 4931 2 2 1 DAO H52 H -0.849 3.116 3.221 1.00 . B A . 13 DAO H52 1 1 19 4932 2 2 1 DAO H61 H 2.171 3.586 2.742 1.00 . B A . 13 DAO H61 1 1 19 4933 2 2 1 DAO H62 H 1.119 3.101 1.419 1.00 . B A . 13 DAO H62 1 1 19 4934 2 2 1 DAO H71 H -0.285 5.125 1.671 1.00 . B A . 13 DAO H71 1 1 19 4935 2 2 1 DAO H72 H 0.612 5.643 3.101 1.00 . B A . 13 DAO H72 1 1 19 4936 2 2 1 DAO H81 H 2.680 5.998 1.810 1.00 . B A . 13 DAO H81 1 1 19 4937 2 2 1 DAO H82 H 2.038 5.156 0.412 1.00 . B A . 13 DAO H82 1 1 19 4938 2 2 1 DAO H91 H 0.350 6.957 0.012 1.00 . B A . 13 DAO H91 1 1 19 4939 2 2 1 DAO H92 H 2.022 7.477 -0.117 1.00 . B A . 13 DAO H92 1 1 19 4940 2 2 1 DAO O1 O 1.518 0.233 0.017 1.00 . B A . 13 DAO O1 1 1 20 4941 1 1 1 PHE C C 2.206 0.404 -1.614 1.00 . A A . 1 PHE C 1 1 20 4942 1 1 1 PHE CA C 1.808 1.456 -0.537 1.00 . A A . 1 PHE CA 1 1 20 4943 1 1 1 PHE CB C 3.052 2.109 0.152 1.00 . A A . 1 PHE CB 1 1 20 4944 1 1 1 PHE CD1 C 2.013 4.141 1.297 1.00 . A A . 1 PHE CD1 1 1 20 4945 1 1 1 PHE CD2 C 3.146 2.497 2.658 1.00 . A A . 1 PHE CD2 1 1 20 4946 1 1 1 PHE CE1 C 1.611 4.813 2.448 1.00 . A A . 1 PHE CE1 1 1 20 4947 1 1 1 PHE CE2 C 2.748 3.173 3.807 1.00 . A A . 1 PHE CE2 1 1 20 4948 1 1 1 PHE CG C 2.775 2.974 1.396 1.00 . A A . 1 PHE CG 1 1 20 4949 1 1 1 PHE CZ C 1.979 4.330 3.703 1.00 . A A . 1 PHE CZ 1 1 20 4950 1 1 1 PHE H1 H 1.083 1.248 1.394 1.00 . A A . 1 PHE H1 1 1 20 4951 1 1 1 PHE HA H 1.298 2.275 -1.080 1.00 . A A . 1 PHE HA 1 1 20 4952 1 1 1 PHE HB2 H 3.789 1.325 0.410 1.00 . A A . 1 PHE HB2 1 1 20 4953 1 1 1 PHE HB3 H 3.585 2.725 -0.595 1.00 . A A . 1 PHE HB3 1 1 20 4954 1 1 1 PHE HD1 H 1.684 4.500 0.332 1.00 . A A . 1 PHE HD1 1 1 20 4955 1 1 1 PHE HD2 H 3.708 1.580 2.758 1.00 . A A . 1 PHE HD2 1 1 20 4956 1 1 1 PHE HE1 H 0.989 5.689 2.356 1.00 . A A . 1 PHE HE1 1 1 20 4957 1 1 1 PHE HE2 H 3.021 2.772 4.772 1.00 . A A . 1 PHE HE2 1 1 20 4958 1 1 1 PHE HZ H 1.654 4.845 4.596 1.00 . A A . 1 PHE HZ 1 1 20 4959 1 1 1 PHE N N 0.861 0.867 0.468 1.00 . A A . 1 PHE N 1 1 20 4960 1 1 1 PHE O O 1.992 0.618 -2.808 1.00 . A A . 1 PHE O 1 1 20 4961 1 1 2 GLN C C 1.868 -2.717 -2.561 1.00 . A A . 2 GLN C 1 1 20 4962 1 1 2 GLN CA C 3.107 -1.889 -2.071 1.00 . A A . 2 GLN CA 1 1 20 4963 1 1 2 GLN CB C 4.131 -2.818 -1.357 1.00 . A A . 2 GLN CB 1 1 20 4964 1 1 2 GLN CD C 6.531 -3.111 -0.365 1.00 . A A . 2 GLN CD 1 1 20 4965 1 1 2 GLN CG C 5.501 -2.178 -1.019 1.00 . A A . 2 GLN CG 1 1 20 4966 1 1 2 GLN H H 2.924 -0.724 -0.161 1.00 . A A . 2 GLN H 1 1 20 4967 1 1 2 GLN HA H 3.593 -1.502 -2.989 1.00 . A A . 2 GLN HA 1 1 20 4968 1 1 2 GLN HB2 H 3.684 -3.236 -0.434 1.00 . A A . 2 GLN HB2 1 1 20 4969 1 1 2 GLN HB3 H 4.318 -3.703 -2.000 1.00 . A A . 2 GLN HB3 1 1 20 4970 1 1 2 GLN HE21 H 7.784 -1.572 -0.111 1.00 . A A . 2 GLN HE21 1 1 20 4971 1 1 2 GLN HE22 H 8.303 -3.245 0.467 1.00 . A A . 2 GLN HE22 1 1 20 4972 1 1 2 GLN HG2 H 5.933 -1.760 -1.945 1.00 . A A . 2 GLN HG2 1 1 20 4973 1 1 2 GLN HG3 H 5.331 -1.316 -0.346 1.00 . A A . 2 GLN HG3 1 1 20 4974 1 1 2 GLN N N 2.788 -0.729 -1.180 1.00 . A A . 2 GLN N 1 1 20 4975 1 1 2 GLN NE2 N 7.651 -2.573 0.053 1.00 . A A . 2 GLN NE2 1 1 20 4976 1 1 2 GLN O O 1.813 -3.115 -3.727 1.00 . A A . 2 GLN O 1 1 20 4977 1 1 2 GLN OE1 O 6.363 -4.317 -0.217 1.00 . A A . 2 GLN OE1 1 1 20 4978 1 1 3 TRP C C -1.514 -2.702 -2.439 1.00 . A A . 3 TRP C 1 1 20 4979 1 1 3 TRP CA C -0.369 -3.681 -2.000 1.00 . A A . 3 TRP CA 1 1 20 4980 1 1 3 TRP CB C -0.721 -4.609 -0.790 1.00 . A A . 3 TRP CB 1 1 20 4981 1 1 3 TRP CD1 C -2.734 -4.139 0.799 1.00 . A A . 3 TRP CD1 1 1 20 4982 1 1 3 TRP CD2 C -0.838 -3.203 1.485 1.00 . A A . 3 TRP CD2 1 1 20 4983 1 1 3 TRP CE2 C -1.883 -2.894 2.394 1.00 . A A . 3 TRP CE2 1 1 20 4984 1 1 3 TRP CE3 C 0.473 -2.715 1.720 1.00 . A A . 3 TRP CE3 1 1 20 4985 1 1 3 TRP CG C -1.372 -3.986 0.468 1.00 . A A . 3 TRP CG 1 1 20 4986 1 1 3 TRP CH2 C -0.323 -1.648 3.758 1.00 . A A . 3 TRP CH2 1 1 20 4987 1 1 3 TRP CZ2 C -1.623 -2.105 3.538 1.00 . A A . 3 TRP CZ2 1 1 20 4988 1 1 3 TRP CZ3 C 0.709 -1.947 2.861 1.00 . A A . 3 TRP CZ3 1 1 20 4989 1 1 3 TRP H H 1.027 -2.457 -0.803 1.00 . A A . 3 TRP H 1 1 20 4990 1 1 3 TRP HA H -0.190 -4.352 -2.864 1.00 . A A . 3 TRP HA 1 1 20 4991 1 1 3 TRP HB2 H -1.401 -5.396 -1.166 1.00 . A A . 3 TRP HB2 1 1 20 4992 1 1 3 TRP HB3 H 0.165 -5.192 -0.500 1.00 . A A . 3 TRP HB3 1 1 20 4993 1 1 3 TRP HD1 H -3.434 -4.697 0.196 1.00 . A A . 3 TRP HD1 1 1 20 4994 1 1 3 TRP HE1 H -3.983 -3.422 2.456 1.00 . A A . 3 TRP HE1 1 1 20 4995 1 1 3 TRP HE3 H 1.273 -2.921 1.033 1.00 . A A . 3 TRP HE3 1 1 20 4996 1 1 3 TRP HH2 H -0.111 -1.048 4.631 1.00 . A A . 3 TRP HH2 1 1 20 4997 1 1 3 TRP HZ2 H -2.414 -1.862 4.231 1.00 . A A . 3 TRP HZ2 1 1 20 4998 1 1 3 TRP HZ3 H 1.704 -1.574 3.057 1.00 . A A . 3 TRP HZ3 1 1 20 4999 1 1 3 TRP N N 0.908 -2.997 -1.665 1.00 . A A . 3 TRP N 1 1 20 5000 1 1 3 TRP NE1 N -3.074 -3.464 1.984 1.00 . A A . 3 TRP NE1 1 1 20 5001 1 1 3 TRP O O -1.341 -1.482 -2.508 1.00 . A A . 3 TRP O 1 1 20 5002 1 1 4 GLN C C -4.435 -1.807 -1.485 1.00 . A A . 4 GLN C 1 1 20 5003 1 1 4 GLN CA C -3.965 -2.459 -2.831 1.00 . A A . 4 GLN CA 1 1 20 5004 1 1 4 GLN CB C -4.994 -3.382 -3.555 1.00 . A A . 4 GLN CB 1 1 20 5005 1 1 4 GLN CD C -5.478 -2.097 -5.754 1.00 . A A . 4 GLN CD 1 1 20 5006 1 1 4 GLN CG C -4.897 -3.359 -5.095 1.00 . A A . 4 GLN CG 1 1 20 5007 1 1 4 GLN H H -2.710 -4.278 -2.759 1.00 . A A . 4 GLN H 1 1 20 5008 1 1 4 GLN HA H -3.757 -1.591 -3.491 1.00 . A A . 4 GLN HA 1 1 20 5009 1 1 4 GLN HB2 H -4.918 -4.427 -3.191 1.00 . A A . 4 GLN HB2 1 1 20 5010 1 1 4 GLN HB3 H -6.029 -3.096 -3.289 1.00 . A A . 4 GLN HB3 1 1 20 5011 1 1 4 GLN HE21 H -7.318 -2.576 -5.163 1.00 . A A . 4 GLN HE21 1 1 20 5012 1 1 4 GLN HE22 H -7.040 -0.932 -5.934 1.00 . A A . 4 GLN HE22 1 1 20 5013 1 1 4 GLN HG2 H -3.841 -3.461 -5.405 1.00 . A A . 4 GLN HG2 1 1 20 5014 1 1 4 GLN HG3 H -5.388 -4.263 -5.485 1.00 . A A . 4 GLN HG3 1 1 20 5015 1 1 4 GLN N N -2.715 -3.256 -2.686 1.00 . A A . 4 GLN N 1 1 20 5016 1 1 4 GLN NE2 N -6.774 -1.890 -5.689 1.00 . A A . 4 GLN NE2 1 1 20 5017 1 1 4 GLN O O -3.819 -0.836 -1.050 1.00 . A A . 4 GLN O 1 1 20 5018 1 1 4 GLN OE1 O -4.765 -1.256 -6.287 1.00 . A A . 4 GLN OE1 1 1 20 5019 1 1 5 ARG C C -6.675 -2.569 1.505 1.00 . A A . 5 ARG C 1 1 20 5020 1 1 5 ARG CA C -6.065 -1.625 0.402 1.00 . A A . 5 ARG CA 1 1 20 5021 1 1 5 ARG CB C -6.973 -0.435 -0.041 1.00 . A A . 5 ARG CB 1 1 20 5022 1 1 5 ARG CD C -9.545 -0.052 0.295 1.00 . A A . 5 ARG CD 1 1 20 5023 1 1 5 ARG CG C -8.425 -0.754 -0.506 1.00 . A A . 5 ARG CG 1 1 20 5024 1 1 5 ARG CZ C -10.335 -0.185 2.680 1.00 . A A . 5 ARG CZ 1 1 20 5025 1 1 5 ARG H H -6.013 -2.998 -1.369 1.00 . A A . 5 ARG H 1 1 20 5026 1 1 5 ARG HA H -5.225 -1.161 0.948 1.00 . A A . 5 ARG HA 1 1 20 5027 1 1 5 ARG HB2 H -6.995 0.293 0.787 1.00 . A A . 5 ARG HB2 1 1 20 5028 1 1 5 ARG HB3 H -6.460 0.140 -0.839 1.00 . A A . 5 ARG HB3 1 1 20 5029 1 1 5 ARG HD2 H -9.419 1.050 0.235 1.00 . A A . 5 ARG HD2 1 1 20 5030 1 1 5 ARG HD3 H -10.527 -0.282 -0.167 1.00 . A A . 5 ARG HD3 1 1 20 5031 1 1 5 ARG HE H -8.695 -1.105 2.011 1.00 . A A . 5 ARG HE 1 1 20 5032 1 1 5 ARG HG2 H -8.520 -0.468 -1.571 1.00 . A A . 5 ARG HG2 1 1 20 5033 1 1 5 ARG HG3 H -8.602 -1.848 -0.513 1.00 . A A . 5 ARG HG3 1 1 20 5034 1 1 5 ARG HH11 H -11.496 0.923 1.551 1.00 . A A . 5 ARG HH11 1 1 20 5035 1 1 5 ARG HH12 H -11.970 0.794 3.315 1.00 . A A . 5 ARG HH12 1 1 20 5036 1 1 5 ARG HH21 H -9.265 -1.251 3.952 1.00 . A A . 5 ARG HH21 1 1 20 5037 1 1 5 ARG HH22 H -10.738 -0.401 4.619 1.00 . A A . 5 ARG HH22 1 1 20 5038 1 1 5 ARG N N -5.518 -2.276 -0.835 1.00 . A A . 5 ARG N 1 1 20 5039 1 1 5 ARG NE N -9.498 -0.518 1.706 1.00 . A A . 5 ARG NE 1 1 20 5040 1 1 5 ARG NH1 N -11.379 0.586 2.508 1.00 . A A . 5 ARG NH1 1 1 20 5041 1 1 5 ARG NH2 N -10.096 -0.658 3.867 1.00 . A A . 5 ARG NH2 1 1 20 5042 1 1 5 ARG O O -7.358 -2.096 2.420 1.00 . A A . 5 ARG O 1 1 20 5043 1 1 6 ASN C C -5.944 -5.992 2.642 1.00 . A A . 6 ASN C 1 1 20 5044 1 1 6 ASN CA C -7.026 -4.900 2.354 1.00 . A A . 6 ASN CA 1 1 20 5045 1 1 6 ASN CB C -8.310 -5.436 1.652 1.00 . A A . 6 ASN CB 1 1 20 5046 1 1 6 ASN CG C -9.233 -6.319 2.497 1.00 . A A . 6 ASN CG 1 1 20 5047 1 1 6 ASN H H -5.819 -4.137 0.653 1.00 . A A . 6 ASN H 1 1 20 5048 1 1 6 ASN HA H -7.323 -4.430 3.314 1.00 . A A . 6 ASN HA 1 1 20 5049 1 1 6 ASN HB2 H -8.927 -4.583 1.309 1.00 . A A . 6 ASN HB2 1 1 20 5050 1 1 6 ASN HB3 H -8.024 -5.977 0.729 1.00 . A A . 6 ASN HB3 1 1 20 5051 1 1 6 ASN HD21 H -10.293 -6.765 0.883 1.00 . A A . 6 ASN HD21 1 1 20 5052 1 1 6 ASN HD22 H -10.861 -7.388 2.511 1.00 . A A . 6 ASN HD22 1 1 20 5053 1 1 6 ASN N N -6.427 -3.887 1.441 1.00 . A A . 6 ASN N 1 1 20 5054 1 1 6 ASN ND2 N -10.162 -7.000 1.871 1.00 . A A . 6 ASN ND2 1 1 20 5055 1 1 6 ASN O O -5.704 -6.858 1.796 1.00 . A A . 6 ASN O 1 1 20 5056 1 1 6 ASN OD1 O -9.160 -6.395 3.718 1.00 . A A . 6 ASN OD1 1 1 20 5057 1 1 7 ILE C C -4.220 -8.226 4.245 1.00 . A A . 7 ILE C 1 1 20 5058 1 1 7 ILE CA C -3.979 -6.693 4.030 1.00 . A A . 7 ILE CA 1 1 20 5059 1 1 7 ILE CB C -2.966 -6.073 5.085 1.00 . A A . 7 ILE CB 1 1 20 5060 1 1 7 ILE CD1 C -2.366 -4.125 6.755 1.00 . A A . 7 ILE CD1 1 1 20 5061 1 1 7 ILE CG1 C -3.295 -4.657 5.647 1.00 . A A . 7 ILE CG1 1 1 20 5062 1 1 7 ILE CG2 C -1.525 -6.151 4.517 1.00 . A A . 7 ILE CG2 1 1 20 5063 1 1 7 ILE H H -5.513 -5.136 4.402 1.00 . A A . 7 ILE H 1 1 20 5064 1 1 7 ILE HA H -3.456 -6.641 3.051 1.00 . A A . 7 ILE HA 1 1 20 5065 1 1 7 ILE HB H -2.960 -6.721 5.983 1.00 . A A . 7 ILE HB 1 1 20 5066 1 1 7 ILE HD11 H -2.747 -3.177 7.180 1.00 . A A . 7 ILE HD11 1 1 20 5067 1 1 7 ILE HD12 H -2.266 -4.841 7.592 1.00 . A A . 7 ILE HD12 1 1 20 5068 1 1 7 ILE HD13 H -1.349 -3.915 6.374 1.00 . A A . 7 ILE HD13 1 1 20 5069 1 1 7 ILE HG12 H -3.341 -3.926 4.822 1.00 . A A . 7 ILE HG12 1 1 20 5070 1 1 7 ILE HG13 H -4.318 -4.672 6.069 1.00 . A A . 7 ILE HG13 1 1 20 5071 1 1 7 ILE HG21 H -0.760 -5.869 5.262 1.00 . A A . 7 ILE HG21 1 1 20 5072 1 1 7 ILE HG22 H -1.269 -7.174 4.181 1.00 . A A . 7 ILE HG22 1 1 20 5073 1 1 7 ILE HG23 H -1.390 -5.483 3.645 1.00 . A A . 7 ILE HG23 1 1 20 5074 1 1 7 ILE N N -5.256 -5.928 3.804 1.00 . A A . 7 ILE N 1 1 20 5075 1 1 7 ILE O O -3.963 -8.999 3.321 1.00 . A A . 7 ILE O 1 1 20 5076 1 1 8 ARG C C -4.752 -11.253 4.919 1.00 . A A . 8 ARG C 1 1 20 5077 1 1 8 ARG CA C -5.323 -9.998 5.676 1.00 . A A . 8 ARG CA 1 1 20 5078 1 1 8 ARG CB C -6.876 -9.871 5.779 1.00 . A A . 8 ARG CB 1 1 20 5079 1 1 8 ARG CD C -7.557 -9.644 3.230 1.00 . A A . 8 ARG CD 1 1 20 5080 1 1 8 ARG CG C -7.678 -9.127 4.674 1.00 . A A . 8 ARG CG 1 1 20 5081 1 1 8 ARG CZ C -8.890 -11.632 2.444 1.00 . A A . 8 ARG CZ 1 1 20 5082 1 1 8 ARG H H -4.914 -7.865 6.064 1.00 . A A . 8 ARG H 1 1 20 5083 1 1 8 ARG HA H -5.089 -10.240 6.718 1.00 . A A . 8 ARG HA 1 1 20 5084 1 1 8 ARG HB2 H -7.311 -10.877 5.925 1.00 . A A . 8 ARG HB2 1 1 20 5085 1 1 8 ARG HB3 H -7.109 -9.351 6.730 1.00 . A A . 8 ARG HB3 1 1 20 5086 1 1 8 ARG HD2 H -8.135 -8.998 2.548 1.00 . A A . 8 ARG HD2 1 1 20 5087 1 1 8 ARG HD3 H -6.507 -9.528 2.890 1.00 . A A . 8 ARG HD3 1 1 20 5088 1 1 8 ARG HE H -7.290 -11.713 3.699 1.00 . A A . 8 ARG HE 1 1 20 5089 1 1 8 ARG HG2 H -8.747 -9.104 4.960 1.00 . A A . 8 ARG HG2 1 1 20 5090 1 1 8 ARG HG3 H -7.377 -8.061 4.680 1.00 . A A . 8 ARG HG3 1 1 20 5091 1 1 8 ARG HH11 H -9.536 -9.945 1.682 1.00 . A A . 8 ARG HH11 1 1 20 5092 1 1 8 ARG HH12 H -10.415 -11.459 1.147 1.00 . A A . 8 ARG HH12 1 1 20 5093 1 1 8 ARG HH21 H -8.373 -13.405 3.130 1.00 . A A . 8 ARG HH21 1 1 20 5094 1 1 8 ARG HH22 H -9.760 -13.347 1.922 1.00 . A A . 8 ARG HH22 1 1 20 5095 1 1 8 ARG N N -4.723 -8.647 5.430 1.00 . A A . 8 ARG N 1 1 20 5096 1 1 8 ARG NE N -7.924 -11.082 3.174 1.00 . A A . 8 ARG NE 1 1 20 5097 1 1 8 ARG NH1 N -9.709 -10.951 1.683 1.00 . A A . 8 ARG NH1 1 1 20 5098 1 1 8 ARG NH2 N -9.030 -12.921 2.496 1.00 . A A . 8 ARG NH2 1 1 20 5099 1 1 8 ARG O O -5.266 -11.633 3.867 1.00 . A A . 8 ARG O 1 1 20 5100 1 1 9 LYS C C -3.892 -14.298 4.548 1.00 . A A . 9 LYS C 1 1 20 5101 1 1 9 LYS CA C -2.998 -13.032 4.745 1.00 . A A . 9 LYS CA 1 1 20 5102 1 1 9 LYS CB C -1.675 -13.334 5.502 1.00 . A A . 9 LYS CB 1 1 20 5103 1 1 9 LYS CD C -0.024 -15.380 5.525 1.00 . A A . 9 LYS CD 1 1 20 5104 1 1 9 LYS CE C -0.793 -16.722 5.509 1.00 . A A . 9 LYS CE 1 1 20 5105 1 1 9 LYS CG C -0.657 -14.214 4.725 1.00 . A A . 9 LYS CG 1 1 20 5106 1 1 9 LYS H H -3.287 -11.451 6.269 1.00 . A A . 9 LYS H 1 1 20 5107 1 1 9 LYS HA H -2.715 -12.680 3.730 1.00 . A A . 9 LYS HA 1 1 20 5108 1 1 9 LYS HB2 H -1.164 -12.381 5.749 1.00 . A A . 9 LYS HB2 1 1 20 5109 1 1 9 LYS HB3 H -1.913 -13.768 6.492 1.00 . A A . 9 LYS HB3 1 1 20 5110 1 1 9 LYS HD2 H 0.969 -15.575 5.072 1.00 . A A . 9 LYS HD2 1 1 20 5111 1 1 9 LYS HD3 H 0.225 -15.063 6.558 1.00 . A A . 9 LYS HD3 1 1 20 5112 1 1 9 LYS HE2 H -1.086 -16.981 4.467 1.00 . A A . 9 LYS HE2 1 1 20 5113 1 1 9 LYS HE3 H -0.096 -17.538 5.806 1.00 . A A . 9 LYS HE3 1 1 20 5114 1 1 9 LYS HG2 H -1.083 -14.598 3.776 1.00 . A A . 9 LYS HG2 1 1 20 5115 1 1 9 LYS HG3 H 0.161 -13.550 4.377 1.00 . A A . 9 LYS HG3 1 1 20 5116 1 1 9 LYS HZ1 H -2.726 -16.065 6.077 1.00 . A A . 9 LYS HZ1 1 1 20 5117 1 1 9 LYS HZ2 H -2.434 -17.625 6.509 1.00 . A A . 9 LYS HZ2 1 1 20 5118 1 1 9 LYS HZ3 H -1.749 -16.398 7.364 1.00 . A A . 9 LYS HZ3 1 1 20 5119 1 1 9 LYS N N -3.695 -11.910 5.449 1.00 . A A . 9 LYS N 1 1 20 5120 1 1 9 LYS NZ N -1.977 -16.709 6.412 1.00 . A A . 9 LYS NZ 1 1 20 5121 1 1 9 LYS O O -4.050 -15.134 5.444 1.00 . A A . 9 LYS O 1 1 20 5122 1 1 10 VAL C C -6.824 -15.222 3.995 1.00 . A A . 10 VAL C 1 1 20 5123 1 1 10 VAL CA C -5.606 -15.285 3.003 1.00 . A A . 10 VAL CA 1 1 20 5124 1 1 10 VAL CB C -5.046 -16.624 2.401 1.00 . A A . 10 VAL CB 1 1 20 5125 1 1 10 VAL CG1 C -4.609 -17.726 3.390 1.00 . A A . 10 VAL CG1 1 1 20 5126 1 1 10 VAL CG2 C -5.992 -17.200 1.341 1.00 . A A . 10 VAL CG2 1 1 20 5127 1 1 10 VAL H H -4.323 -13.542 2.774 1.00 . A A . 10 VAL H 1 1 20 5128 1 1 10 VAL HA H -6.047 -14.766 2.130 1.00 . A A . 10 VAL HA 1 1 20 5129 1 1 10 VAL HB H -4.131 -16.368 1.835 1.00 . A A . 10 VAL HB 1 1 20 5130 1 1 10 VAL HG11 H -4.079 -18.544 2.865 1.00 . A A . 10 VAL HG11 1 1 20 5131 1 1 10 VAL HG12 H -3.909 -17.335 4.146 1.00 . A A . 10 VAL HG12 1 1 20 5132 1 1 10 VAL HG13 H -5.450 -18.196 3.928 1.00 . A A . 10 VAL HG13 1 1 20 5133 1 1 10 VAL HG21 H -6.188 -16.455 0.545 1.00 . A A . 10 VAL HG21 1 1 20 5134 1 1 10 VAL HG22 H -5.545 -18.079 0.844 1.00 . A A . 10 VAL HG22 1 1 20 5135 1 1 10 VAL HG23 H -6.964 -17.496 1.770 1.00 . A A . 10 VAL HG23 1 1 20 5136 1 1 10 VAL N N -4.483 -14.378 3.345 1.00 . A A . 10 VAL N 1 1 20 5137 1 1 10 VAL O O -7.275 -14.119 4.332 1.00 . A A . 10 VAL O 1 1 20 5138 1 1 11 ARG C C -8.368 -17.869 6.158 1.00 . A A . 11 ARG C 1 1 20 5139 1 1 11 ARG CA C -8.321 -16.414 5.592 1.00 . A A . 11 ARG CA 1 1 20 5140 1 1 11 ARG CB C -9.745 -15.882 5.225 1.00 . A A . 11 ARG CB 1 1 20 5141 1 1 11 ARG CD C -9.911 -13.537 6.318 1.00 . A A . 11 ARG CD 1 1 20 5142 1 1 11 ARG CG C -10.412 -14.999 6.311 1.00 . A A . 11 ARG CG 1 1 20 5143 1 1 11 ARG CZ C -9.977 -12.147 8.424 1.00 . A A . 11 ARG CZ 1 1 20 5144 1 1 11 ARG H H -6.933 -17.194 4.040 1.00 . A A . 11 ARG H 1 1 20 5145 1 1 11 ARG HA H -7.891 -15.769 6.385 1.00 . A A . 11 ARG HA 1 1 20 5146 1 1 11 ARG HB2 H -9.729 -15.320 4.272 1.00 . A A . 11 ARG HB2 1 1 20 5147 1 1 11 ARG HB3 H -10.413 -16.736 4.990 1.00 . A A . 11 ARG HB3 1 1 20 5148 1 1 11 ARG HD2 H -8.804 -13.497 6.356 1.00 . A A . 11 ARG HD2 1 1 20 5149 1 1 11 ARG HD3 H -10.156 -13.054 5.348 1.00 . A A . 11 ARG HD3 1 1 20 5150 1 1 11 ARG HE H -11.599 -12.656 7.408 1.00 . A A . 11 ARG HE 1 1 20 5151 1 1 11 ARG HG2 H -11.508 -15.004 6.146 1.00 . A A . 11 ARG HG2 1 1 20 5152 1 1 11 ARG HG3 H -10.281 -15.463 7.309 1.00 . A A . 11 ARG HG3 1 1 20 5153 1 1 11 ARG HH11 H -8.167 -12.786 8.004 1.00 . A A . 11 ARG HH11 1 1 20 5154 1 1 11 ARG HH12 H -8.322 -11.695 9.464 1.00 . A A . 11 ARG HH12 1 1 20 5155 1 1 11 ARG HH21 H -11.720 -11.429 9.062 1.00 . A A . 11 ARG HH21 1 1 20 5156 1 1 11 ARG HH22 H -10.239 -10.978 10.014 1.00 . A A . 11 ARG HH22 1 1 20 5157 1 1 11 ARG N N -7.376 -16.356 4.439 1.00 . A A . 11 ARG N 1 1 20 5158 1 1 11 ARG NE N -10.581 -12.777 7.413 1.00 . A A . 11 ARG NE 1 1 20 5159 1 1 11 ARG NH1 N -8.687 -12.189 8.647 1.00 . A A . 11 ARG NH1 1 1 20 5160 1 1 11 ARG NH2 N -10.715 -11.455 9.245 1.00 . A A . 11 ARG NH2 1 1 20 5161 1 1 11 ARG O O -8.445 -18.859 5.433 1.00 . A A . 11 ARG O 1 1 20 5162 1 1 12 NH2 HN1 H -8.424 -19.072 7.706 1.00 . A A . 12 NH2 HN1 1 1 20 5163 1 1 12 NH2 HN2 H -8.335 -17.276 8.090 1.00 . A A . 12 NH2 HN2 1 1 20 5164 1 1 12 NH2 N N -8.343 -18.080 7.459 1.00 . A A . 12 NH2 N 1 1 20 5165 2 2 1 DAO C1 C -0.776 1.256 0.167 1.00 . B A . 13 DAO C1 1 1 20 5166 2 2 1 DAO C10 C -5.971 5.522 6.930 1.00 . B A . 13 DAO C10 1 1 20 5167 2 2 1 DAO C11 C -6.436 5.071 8.330 1.00 . B A . 13 DAO C11 1 1 20 5168 2 2 1 DAO C12 C -6.179 3.580 8.605 1.00 . B A . 13 DAO C12 1 1 20 5169 2 2 1 DAO C2 C -1.725 0.681 1.216 1.00 . B A . 13 DAO C2 1 1 20 5170 2 2 1 DAO C3 C -3.161 1.220 1.236 1.00 . B A . 13 DAO C3 1 1 20 5171 2 2 1 DAO C4 C -3.307 2.595 1.907 1.00 . B A . 13 DAO C4 1 1 20 5172 2 2 1 DAO C5 C -4.706 3.184 1.632 1.00 . B A . 13 DAO C5 1 1 20 5173 2 2 1 DAO C6 C -5.056 4.483 2.385 1.00 . B A . 13 DAO C6 1 1 20 5174 2 2 1 DAO C7 C -5.496 4.264 3.850 1.00 . B A . 13 DAO C7 1 1 20 5175 2 2 1 DAO C8 C -6.395 5.404 4.379 1.00 . B A . 13 DAO C8 1 1 20 5176 2 2 1 DAO C9 C -6.949 5.148 5.796 1.00 . B A . 13 DAO C9 1 1 20 5177 2 2 1 DAO H101 H -4.959 5.123 6.725 1.00 . B A . 13 DAO H101 1 1 20 5178 2 2 1 DAO H102 H -5.845 6.622 6.933 1.00 . B A . 13 DAO H102 1 1 20 5179 2 2 1 DAO H111 H -5.903 5.666 9.096 1.00 . B A . 13 DAO H111 1 1 20 5180 2 2 1 DAO H112 H -7.507 5.309 8.478 1.00 . B A . 13 DAO H112 1 1 20 5181 2 2 1 DAO H121 H -6.510 3.295 9.621 1.00 . B A . 13 DAO H121 1 1 20 5182 2 2 1 DAO H122 H -6.716 2.926 7.893 1.00 . B A . 13 DAO H122 1 1 20 5183 2 2 1 DAO H123 H -5.104 3.333 8.533 1.00 . B A . 13 DAO H123 1 1 20 5184 2 2 1 DAO H21 H -1.784 -0.399 1.025 1.00 . B A . 13 DAO H21 1 1 20 5185 2 2 1 DAO H22 H -1.263 0.772 2.216 1.00 . B A . 13 DAO H22 1 1 20 5186 2 2 1 DAO H31 H -3.539 1.248 0.197 1.00 . B A . 13 DAO H31 1 1 20 5187 2 2 1 DAO H32 H -3.795 0.484 1.765 1.00 . B A . 13 DAO H32 1 1 20 5188 2 2 1 DAO H41 H -3.108 2.470 2.986 1.00 . B A . 13 DAO H41 1 1 20 5189 2 2 1 DAO H42 H -2.529 3.290 1.533 1.00 . B A . 13 DAO H42 1 1 20 5190 2 2 1 DAO H51 H -5.490 2.426 1.823 1.00 . B A . 13 DAO H51 1 1 20 5191 2 2 1 DAO H52 H -4.778 3.387 0.545 1.00 . B A . 13 DAO H52 1 1 20 5192 2 2 1 DAO H61 H -4.219 5.206 2.336 1.00 . B A . 13 DAO H61 1 1 20 5193 2 2 1 DAO H62 H -5.879 4.970 1.827 1.00 . B A . 13 DAO H62 1 1 20 5194 2 2 1 DAO H71 H -6.052 3.311 3.936 1.00 . B A . 13 DAO H71 1 1 20 5195 2 2 1 DAO H72 H -4.604 4.139 4.493 1.00 . B A . 13 DAO H72 1 1 20 5196 2 2 1 DAO H81 H -5.863 6.375 4.337 1.00 . B A . 13 DAO H81 1 1 20 5197 2 2 1 DAO H82 H -7.255 5.521 3.693 1.00 . B A . 13 DAO H82 1 1 20 5198 2 2 1 DAO H91 H -7.271 4.093 5.887 1.00 . B A . 13 DAO H91 1 1 20 5199 2 2 1 DAO H92 H -7.878 5.736 5.930 1.00 . B A . 13 DAO H92 1 1 20 5200 2 2 1 DAO O1 O -1.154 1.947 -0.780 1.00 . B A . 13 DAO O1 1 1 stop_ save_
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