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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
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373321 |
1dsj ![]() ![]() |
cing | 4-filtered-FRED | STAR | entry | full | 120 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1dsj # This FRED archive file contains, for PDB entry <1dsj>: # # - 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_1dsj _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1dsj _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 2000.82 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 $VPR_PROTEIN A . 1 1 stop_ save_ save_VPR_PROTEIN _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "VPR PROTEIN" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code XYGDTWAGVEAIIRILQQLLFIHFRIGX _Entity.Number_of_monomers 28 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 ACE $ACE 1 1 2 TYR . 1 1 3 GLY . 1 1 4 ASP . 1 1 5 THR . 1 1 6 TRP . 1 1 7 ALA . 1 1 8 GLY . 1 1 9 VAL . 1 1 10 GLU . 1 1 11 ALA . 1 1 12 ILE . 1 1 13 ILE . 1 1 14 ARG . 1 1 15 ILE . 1 1 16 LEU . 1 1 17 GLN . 1 1 18 GLN . 1 1 19 LEU . 1 1 20 LEU . 1 1 21 PHE . 1 1 22 ILE . 1 1 23 HIS . 1 1 24 PHE . 1 1 25 ARG . 1 1 26 ILE . 1 1 27 GLY . 1 1 28 NH2 $NH2 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID ACE 1 1 1 1 TYR 2 2 1 1 GLY 3 3 1 1 ASP 4 4 1 1 THR 5 5 1 1 TRP 6 6 1 1 ALA 7 7 1 1 GLY 8 8 1 1 VAL 9 9 1 1 GLU 10 10 1 1 ALA 11 11 1 1 ILE 12 12 1 1 ILE 13 13 1 1 ARG 14 14 1 1 ILE 15 15 1 1 LEU 16 16 1 1 GLN 17 17 1 1 GLN 18 18 1 1 LEU 19 19 1 1 LEU 20 20 1 1 PHE 21 21 1 1 ILE 22 22 1 1 HIS 23 23 1 1 PHE 24 24 1 1 ARG 25 25 1 1 ILE 26 26 1 1 GLY 27 27 1 1 NH2 28 28 1 1 stop_ save_ save_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID NH2 _Chem_comp.Type non-polymer save_ save_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID ACE _Chem_comp.Type non-polymer save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 3 GLY H . 52 . HN 1 1 1 1 2 1 1 4 ASP H . 53 . HN 1 1 2 1 1 1 1 3 GLY H . 52 . HN 1 1 2 1 2 1 1 4 ASP HA . 53 . HA 1 1 3 1 1 1 1 4 ASP H . 53 . HN 1 1 3 1 2 1 1 5 THR HA . 54 . HA 1 1 4 1 1 1 1 4 ASP H . 53 . HN 1 1 4 1 2 1 1 6 TRP H . 55 . HN 1 1 5 1 1 1 1 4 ASP HA . 53 . HA 1 1 5 1 2 1 1 5 THR H . 54 . HN 1 1 6 1 1 1 1 4 ASP HA . 53 . HA 1 1 6 1 2 1 1 5 THR HA . 54 . HA 1 1 7 1 1 1 1 4 ASP HA . 53 . HA 1 1 7 1 2 1 1 6 TRP H . 55 . HN 1 1 8 1 1 1 1 4 ASP HA . 53 . HA 1 1 8 1 2 1 1 7 ALA H . 56 . HN 1 1 9 1 1 1 1 5 THR H . 54 . HN 1 1 9 1 2 1 1 6 TRP H . 55 . HN 1 1 10 1 1 1 1 5 THR H . 54 . HN 1 1 10 1 2 1 1 6 TRP QB . 55 . HB# 1 1 11 1 1 1 1 5 THR HA . 54 . HA 1 1 11 1 2 1 1 6 TRP H . 55 . HN 1 1 12 1 1 1 1 5 THR HA . 54 . HA 1 1 12 1 2 1 1 7 ALA H . 56 . HN 1 1 13 1 1 1 1 5 THR HA . 54 . HA 1 1 13 1 2 1 1 9 VAL H . 58 . HN 1 1 14 1 1 1 1 6 TRP HA . 55 . HA 1 1 14 1 2 1 1 7 ALA H . 56 . HN 1 1 15 1 1 1 1 6 TRP HA . 55 . HA 1 1 15 1 2 1 1 9 VAL H . 58 . HN 1 1 16 1 1 1 1 6 TRP QB . 55 . HB# 1 1 16 1 2 1 1 9 VAL H . 58 . HN 1 1 17 1 1 1 1 7 ALA H . 56 . HN 1 1 17 1 2 1 1 8 GLY H . 57 . HN 1 1 18 1 1 1 1 7 ALA H . 56 . HN 1 1 18 1 2 1 1 9 VAL H . 58 . HN 1 1 19 1 1 1 1 7 ALA H . 56 . HN 1 1 19 1 2 1 1 10 GLU QB . 59 . HB# 1 1 20 1 1 1 1 8 GLY H . 57 . HN 1 1 20 1 2 1 1 9 VAL H . 58 . HN 1 1 21 1 1 1 1 9 VAL H . 58 . HN 1 1 21 1 2 1 1 10 GLU QB . 59 . HB# 1 1 22 1 1 1 1 9 VAL H . 58 . HN 1 1 22 1 2 1 1 12 ILE MD . 61 . HD1# 1 1 23 1 1 1 1 9 VAL HA . 58 . HA 1 1 23 1 2 1 1 10 GLU H . 59 . HN 1 1 24 1 1 1 1 9 VAL HA . 58 . HA 1 1 24 1 2 1 1 12 ILE H . 61 . HN 1 1 25 1 1 1 1 9 VAL HA . 58 . HA 1 1 25 1 2 1 1 12 ILE HB . 61 . HB 1 1 26 1 1 1 1 9 VAL HA . 58 . HA 1 1 26 1 2 1 1 12 ILE MD . 61 . HD1# 1 1 27 1 1 1 1 9 VAL HA . 58 . HA 1 1 27 1 2 1 1 12 ILE HG13 . 61 . HG11 1 1 28 1 1 1 1 9 VAL HA . 58 . HA 1 1 28 1 2 1 1 12 ILE MG . 61 . HG2# 1 1 29 1 1 1 1 9 VAL HA . 58 . HA 1 1 29 1 2 1 1 13 ILE H . 62 . HN 1 1 30 1 1 1 1 10 GLU H . 59 . HN 1 1 30 1 2 1 1 11 ALA H . 60 . HN 1 1 31 1 1 1 1 10 GLU HA . 59 . HA 1 1 31 1 2 1 1 11 ALA H . 60 . HN 1 1 32 1 1 1 1 11 ALA H . 60 . HN 1 1 32 1 2 1 1 12 ILE H . 61 . HN 1 1 33 1 1 1 1 11 ALA H . 60 . HN 1 1 33 1 2 1 1 13 ILE H . 62 . HN 1 1 34 1 1 1 1 12 ILE H . 61 . HN 1 1 34 1 2 1 1 12 ILE HB . 61 . HB 1 1 35 1 1 1 1 12 ILE H . 61 . HN 1 1 35 1 2 1 1 12 ILE MD . 61 . HD1# 1 1 36 1 1 1 1 12 ILE H . 61 . HN 1 1 36 1 2 1 1 12 ILE MG . 61 . HG2# 1 1 37 1 1 1 1 12 ILE H . 61 . HN 1 1 37 1 2 1 1 13 ILE H . 62 . HN 1 1 38 1 1 1 1 12 ILE HA . 61 . HA 1 1 38 1 2 1 1 12 ILE MD . 61 . HD1# 1 1 39 1 1 1 1 12 ILE HA . 61 . HA 1 1 39 1 2 1 1 13 ILE H . 62 . HN 1 1 40 1 1 1 1 12 ILE HA . 61 . HA 1 1 40 1 2 1 1 15 ILE H . 64 . HN 1 1 41 1 1 1 1 12 ILE HB . 61 . HB 1 1 41 1 2 1 1 17 GLN QE . 66 . HE2# 1 1 42 1 1 1 1 12 ILE MD . 61 . HD1# 1 1 42 1 2 1 1 13 ILE H . 62 . HN 1 1 43 1 1 1 1 14 ARG H . 63 . HN 1 1 43 1 2 1 1 15 ILE H . 64 . HN 1 1 44 1 1 1 1 14 ARG HA . 63 . HA 1 1 44 1 2 1 1 17 GLN H . 66 . HN 1 1 45 1 1 1 1 14 ARG HA . 63 . HA 1 1 45 1 2 1 1 17 GLN HB3 . 66 . HB1 1 1 46 1 1 1 1 14 ARG HA . 63 . HA 1 1 46 1 2 1 1 17 GLN HE21 . 66 . HE21 1 1 47 1 1 1 1 14 ARG HA . 63 . HA 1 1 47 1 2 1 1 17 GLN QE . 66 . HE2# 1 1 48 1 1 1 1 14 ARG HA . 63 . HA 1 1 48 1 2 1 1 17 GLN HE22 . 66 . HE22 1 1 49 1 1 1 1 14 ARG HA . 63 . HA 1 1 49 1 2 1 1 18 GLN H . 67 . HN 1 1 50 1 1 1 1 15 ILE H . 64 . HN 1 1 50 1 2 1 1 17 GLN H . 66 . HN 1 1 51 1 1 1 1 15 ILE HA . 64 . HA 1 1 51 1 2 1 1 17 GLN H . 66 . HN 1 1 52 1 1 1 1 16 LEU H . 65 . HN 1 1 52 1 2 1 1 16 LEU HB3 . 65 . HB1 1 1 53 1 1 1 1 16 LEU H . 65 . HN 1 1 53 1 2 1 1 17 GLN H . 66 . HN 1 1 54 1 1 1 1 16 LEU HA . 65 . HA 1 1 54 1 2 1 1 17 GLN H . 66 . HN 1 1 55 1 1 1 1 16 LEU HA . 65 . HA 1 1 55 1 2 1 1 18 GLN H . 67 . HN 1 1 56 1 1 1 1 16 LEU HA . 65 . HA 1 1 56 1 2 1 1 19 LEU H . 68 . HN 1 1 57 1 1 1 1 16 LEU HA . 65 . HA 1 1 57 1 2 1 1 19 LEU HB3 . 68 . HB1 1 1 58 1 1 1 1 16 LEU HA . 65 . HA 1 1 58 1 2 1 1 19 LEU QD . 68 . HD# 1 1 59 1 1 1 1 16 LEU HA . 65 . HA 1 1 59 1 2 1 1 19 LEU HG . 68 . HG 1 1 60 1 1 1 1 16 LEU HA . 65 . HA 1 1 60 1 2 1 1 20 LEU H . 69 . HN 1 1 61 1 1 1 1 17 GLN H . 66 . HN 1 1 61 1 2 1 1 17 GLN HB3 . 66 . HB1 1 1 62 1 1 1 1 17 GLN H . 66 . HN 1 1 62 1 2 1 1 18 GLN H . 67 . HN 1 1 63 1 1 1 1 17 GLN H . 66 . HN 1 1 63 1 2 1 1 19 LEU H . 68 . HN 1 1 64 1 1 1 1 17 GLN H . 66 . HN 1 1 64 1 2 1 1 19 LEU HG . 68 . HG 1 1 65 1 1 1 1 17 GLN HA . 66 . HA 1 1 65 1 2 1 1 20 LEU H . 69 . HN 1 1 66 1 1 1 1 18 GLN H . 67 . HN 1 1 66 1 2 1 1 18 GLN HB3 . 67 . HB1 1 1 67 1 1 1 1 18 GLN H . 67 . HN 1 1 67 1 2 1 1 19 LEU H . 68 . HN 1 1 68 1 1 1 1 18 GLN H . 67 . HN 1 1 68 1 2 1 1 20 LEU H . 69 . HN 1 1 69 1 1 1 1 18 GLN HA . 67 . HA 1 1 69 1 2 1 1 19 LEU H . 68 . HN 1 1 70 1 1 1 1 18 GLN HA . 67 . HA 1 1 70 1 2 1 1 21 PHE H . 70 . HN 1 1 71 1 1 1 1 19 LEU H . 68 . HN 1 1 71 1 2 1 1 19 LEU HB3 . 68 . HB1 1 1 72 1 1 1 1 19 LEU H . 68 . HN 1 1 72 1 2 1 1 19 LEU HG . 68 . HG 1 1 73 1 1 1 1 19 LEU H . 68 . HN 1 1 73 1 2 1 1 20 LEU H . 69 . HN 1 1 74 1 1 1 1 19 LEU H . 68 . HN 1 1 74 1 2 1 1 21 PHE H . 70 . HN 1 1 75 1 1 1 1 19 LEU H . 68 . HN 1 1 75 1 2 1 1 22 ILE H . 71 . HN 1 1 76 1 1 1 1 19 LEU HA . 68 . HA 1 1 76 1 2 1 1 20 LEU H . 69 . HN 1 1 77 1 1 1 1 19 LEU HA . 68 . HA 1 1 77 1 2 1 1 20 LEU HA . 69 . HA 1 1 78 1 1 1 1 19 LEU HA . 68 . HA 1 1 78 1 2 1 1 21 PHE H . 70 . HN 1 1 79 1 1 1 1 19 LEU HA . 68 . HA 1 1 79 1 2 1 1 22 ILE H . 71 . HN 1 1 80 1 1 1 1 19 LEU HA . 68 . HA 1 1 80 1 2 1 1 23 HIS H . 72 . HN 1 1 81 1 1 1 1 19 LEU HB3 . 68 . HB1 1 1 81 1 2 1 1 20 LEU H . 69 . HN 1 1 82 1 1 1 1 19 LEU HB3 . 68 . HB1 1 1 82 1 2 1 1 20 LEU HA . 69 . HA 1 1 83 1 1 1 1 19 LEU HG . 68 . HG 1 1 83 1 2 1 1 20 LEU H . 69 . HN 1 1 84 1 1 1 1 20 LEU H . 69 . HN 1 1 84 1 2 1 1 21 PHE H . 70 . HN 1 1 85 1 1 1 1 20 LEU H . 69 . HN 1 1 85 1 2 1 1 21 PHE HA . 70 . HA 1 1 86 1 1 1 1 20 LEU HA . 69 . HA 1 1 86 1 2 1 1 21 PHE H . 70 . HN 1 1 87 1 1 1 1 20 LEU HA . 69 . HA 1 1 87 1 2 1 1 22 ILE H . 71 . HN 1 1 88 1 1 1 1 20 LEU HA . 69 . HA 1 1 88 1 2 1 1 23 HIS H . 72 . HN 1 1 89 1 1 1 1 20 LEU HA . 69 . HA 1 1 89 1 2 1 1 23 HIS HB3 . 72 . HB1 1 1 90 1 1 1 1 20 LEU HA . 69 . HA 1 1 90 1 2 1 1 24 PHE H . 73 . HN 1 1 91 1 1 1 1 21 PHE H . 70 . HN 1 1 91 1 2 1 1 22 ILE H . 71 . HN 1 1 92 1 1 1 1 21 PHE HA . 70 . HA 1 1 92 1 2 1 1 22 ILE H . 71 . HN 1 1 93 1 1 1 1 21 PHE HA . 70 . HA 1 1 93 1 2 1 1 22 ILE HA . 71 . HA 1 1 94 1 1 1 1 21 PHE HA . 70 . HA 1 1 94 1 2 1 1 23 HIS H . 72 . HN 1 1 95 1 1 1 1 21 PHE HA . 70 . HA 1 1 95 1 2 1 1 24 PHE H . 73 . HN 1 1 96 1 1 1 1 21 PHE HA . 70 . HA 1 1 96 1 2 1 1 24 PHE HB3 . 73 . HB1 1 1 97 1 1 1 1 21 PHE HA . 70 . HA 1 1 97 1 2 1 1 25 ARG H . 74 . HN 1 1 98 1 1 1 1 22 ILE H . 71 . HN 1 1 98 1 2 1 1 23 HIS HD1 . 72 . HD# 1 1 98 1 2 1 1 23 HIS HD2 . 72 . HD# 1 1 99 1 1 1 1 22 ILE H . 71 . HN 1 1 99 1 2 1 1 24 PHE H . 73 . HN 1 1 100 1 1 1 1 22 ILE HA . 71 . HA 1 1 100 1 2 1 1 23 HIS H . 72 . HN 1 1 101 1 1 1 1 23 HIS H . 72 . HN 1 1 101 1 2 1 1 23 HIS HB3 . 72 . HB1 1 1 102 1 1 1 1 23 HIS H . 72 . HN 1 1 102 1 2 1 1 24 PHE H . 73 . HN 1 1 103 1 1 1 1 23 HIS H . 72 . HN 1 1 103 1 2 1 1 25 ARG H . 74 . HN 1 1 104 1 1 1 1 23 HIS HA . 72 . HA 1 1 104 1 2 1 1 24 PHE H . 73 . HN 1 1 105 1 1 1 1 23 HIS HA . 72 . HA 1 1 105 1 2 1 1 26 ILE H . 75 . HN 1 1 106 1 1 1 1 23 HIS HB3 . 72 . HB1 1 1 106 1 2 1 1 24 PHE H . 73 . HN 1 1 107 1 1 1 1 23 HIS HD1 . 72 . HD# 1 1 107 1 1 1 1 23 HIS HD2 . 72 . HD# 1 1 107 1 2 1 1 24 PHE H . 73 . HN 1 1 108 1 1 1 1 24 PHE H . 73 . HN 1 1 108 1 2 1 1 24 PHE HB3 . 73 . HB1 1 1 109 1 1 1 1 24 PHE H . 73 . HN 1 1 109 1 2 1 1 25 ARG H . 74 . HN 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 . . . . . 0.0 0.0 3.4 1 1 2 1 . . . . . 0.0 0.0 4.7 1 1 3 1 . . . . . 0.0 0.0 4.8 1 1 4 1 . . . . . 0.0 0.0 4.2 1 1 5 1 . . . . . 0.0 0.0 3.1 1 1 6 1 . . . . . 0.0 0.0 4.5 1 1 7 1 . . . . . 0.0 0.0 3.5 1 1 8 1 . . . . . 0.0 0.0 3.7 1 1 9 1 . . . . . 0.0 0.0 3.1 1 1 10 1 . . . . . 0.0 0.0 7.2 1 1 11 1 . . . . . 0.0 0.0 3.4 1 1 12 1 . . . . . 0.0 0.0 4.0 1 1 13 1 . . . . . 0.0 0.0 4.0 1 1 14 1 . . . . . 0.0 0.0 3.6 1 1 15 1 . . . . . 0.0 0.0 3.4 1 1 16 1 . . . . . 0.0 0.0 7.7 1 1 17 1 . . . . . 0.0 0.0 3.1 1 1 18 1 . . . . . 0.0 0.0 4.6 1 1 19 1 . . . . . 0.0 0.0 6.2 1 1 20 1 . . . . . 0.0 0.0 3.1 1 1 21 1 . . . . . 0.0 0.0 6.2 1 1 22 1 . . . . . 0.0 0.0 6.7 1 1 23 1 . . . . . 0.0 0.0 3.4 1 1 24 1 . . . . . 0.0 0.0 3.4 1 1 25 1 . . . . . 0.0 0.0 4.2 1 1 26 1 . . . . . 0.0 0.0 4.2 1 1 27 1 . . . . . 0.0 0.0 4.2 1 1 28 1 . . . . . 0.0 0.0 4.1 1 1 29 1 . . . . . 0.0 0.0 3.5 1 1 30 1 . . . . . 0.0 0.0 3.2 1 1 31 1 . . . . . 0.0 0.0 3.6 1 1 32 1 . . . . . 0.0 0.0 3.1 1 1 33 1 . . . . . 0.0 0.0 3.7 1 1 34 1 . . . . . 0.0 0.0 4.1 1 1 35 1 . . . . . 0.0 0.0 4.5 1 1 36 1 . . . . . 0.0 0.0 4.1 1 1 37 1 . . . . . 0.0 0.0 3.1 1 1 38 1 . . . . . 0.0 0.0 4.1 1 1 39 1 . . . . . 0.0 0.0 3.6 1 1 40 1 . . . . . 0.0 0.0 3.3 1 1 41 1 . . . . . 0.0 0.0 7.27 1 1 42 1 . . . . . 0.0 0.0 4.6 1 1 43 1 . . . . . 0.0 0.0 3.1 1 1 44 1 . . . . . 0.0 0.0 3.7 1 1 45 1 . . . . . 0.0 0.0 3.6 1 1 46 1 . . . . . 0.0 0.0 6.1 1 1 47 1 . . . . . 0.0 0.0 5.89 1 1 48 1 . . . . . 0.0 0.0 6.1 1 1 49 1 . . . . . 0.0 0.0 4.0 1 1 50 1 . . . . . 0.0 0.0 3.4 1 1 51 1 . . . . . 0.0 0.0 3.9 1 1 52 1 . . . . . 0.0 0.0 3.6 1 1 53 1 . . . . . 0.0 0.0 3.1 1 1 54 1 . . . . . 0.0 0.0 3.4 1 1 55 1 . . . . . 0.0 0.0 3.7 1 1 56 1 . . . . . 0.0 0.0 3.3 1 1 57 1 . . . . . 0.0 0.0 3.6 1 1 58 1 . . . . . 0.0 0.0 5.67 1 1 59 1 . . . . . 0.0 0.0 3.9 1 1 60 1 . . . . . 0.0 0.0 3.8 1 1 61 1 . . . . . 0.0 0.0 3.6 1 1 62 1 . . . . . 0.0 0.0 3.1 1 1 63 1 . . . . . 0.0 0.0 3.7 1 1 64 1 . . . . . 0.0 0.0 5.4 1 1 65 1 . . . . . 0.0 0.0 3.5 1 1 66 1 . . . . . 0.0 0.0 3.6 1 1 67 1 . . . . . 0.0 0.0 3.1 1 1 68 1 . . . . . 0.0 0.0 4.0 1 1 69 1 . . . . . 0.0 0.0 3.4 1 1 70 1 . . . . . 0.0 0.0 3.4 1 1 71 1 . . . . . 0.0 0.0 3.6 1 1 72 1 . . . . . 0.0 0.0 3.2 1 1 73 1 . . . . . 0.0 0.0 3.1 1 1 74 1 . . . . . 0.0 0.0 3.9 1 1 75 1 . . . . . 0.0 0.0 4.3 1 1 76 1 . . . . . 0.0 0.0 3.6 1 1 77 1 . . . . . 0.0 0.0 4.6 1 1 78 1 . . . . . 0.0 0.0 3.9 1 1 79 1 . . . . . 0.0 0.0 3.4 1 1 80 1 . . . . . 0.0 0.0 3.4 1 1 81 1 . . . . . 0.0 0.0 3.7 1 1 82 1 . . . . . 0.0 0.0 4.6 1 1 83 1 . . . . . 0.0 0.0 4.6 1 1 84 1 . . . . . 0.0 0.0 3.1 1 1 85 1 . . . . . 0.0 0.0 5.0 1 1 86 1 . . . . . 0.0 0.0 3.5 1 1 87 1 . . . . . 0.0 0.0 4.2 1 1 88 1 . . . . . 0.0 0.0 3.6 1 1 89 1 . . . . . 0.0 0.0 3.7 1 1 90 1 . . . . . 0.0 0.0 3.5 1 1 91 1 . . . . . 0.0 0.0 3.1 1 1 92 1 . . . . . 0.0 0.0 3.5 1 1 93 1 . . . . . 0.0 0.0 4.6 1 1 94 1 . . . . . 0.0 0.0 4.1 1 1 95 1 . . . . . 0.0 0.0 3.7 1 1 96 1 . . . . . 0.0 0.0 3.9 1 1 97 1 . . . . . 0.0 0.0 3.9 1 1 98 1 . . . . . 0.0 0.0 9.7 1 1 99 1 . . . . . 0.0 0.0 4.0 1 1 100 1 . . . . . 0.0 0.0 3.3 1 1 101 1 . . . . . 0.0 0.0 3.6 1 1 102 1 . . . . . 0.0 0.0 3.1 1 1 103 1 . . . . . 0.0 0.0 4.1 1 1 104 1 . . . . . 0.0 0.0 3.5 1 1 105 1 . . . . . 0.0 0.0 4.0 1 1 106 1 . . . . . 0.0 0.0 3.8 1 1 107 1 . . . . . 0.0 0.0 8.1 1 1 108 1 . . . . . 0.0 0.0 3.6 1 1 109 1 . . . . . 0.0 0.0 3.1 1 1 stop_ save_ save_CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 3 GLY C 1 1 4 ASP N 1 1 4 ASP CA 1 1 4 ASP C -89.99999 -30.0 . 52 . C . 53 . N . 53 . CA . 53 . C 1 1 2 . 1 1 4 ASP C 1 1 5 THR N 1 1 5 THR CA 1 1 5 THR C -100.0 -20.0 . 53 . C . 54 . N . 54 . CA . 54 . C 1 1 3 . 1 1 5 THR C 1 1 6 TRP N 1 1 6 TRP CA 1 1 6 TRP C -89.99999 -30.0 . 54 . C . 55 . N . 55 . CA . 55 . C 1 1 4 . 1 1 7 ALA C 1 1 8 GLY N 1 1 8 GLY CA 1 1 8 GLY C -100.0 -20.0 . 56 . C . 57 . N . 57 . CA . 57 . C 1 1 5 . 1 1 9 VAL C 1 1 10 GLU N 1 1 10 GLU CA 1 1 10 GLU C -89.99999 -30.0 . 58 . C . 59 . N . 59 . CA . 59 . C 1 1 6 . 1 1 10 GLU C 1 1 11 ALA N 1 1 11 ALA CA 1 1 11 ALA C -89.99999 -30.0 . 59 . C . 60 . N . 60 . CA . 60 . C 1 1 7 . 1 1 14 ARG C 1 1 15 ILE N 1 1 15 ILE CA 1 1 15 ILE C -100.0 -20.0 . 63 . C . 64 . N . 64 . CA . 64 . C 1 1 8 . 1 1 15 ILE C 1 1 16 LEU N 1 1 16 LEU CA 1 1 16 LEU C -100.0 -20.0 . 64 . C . 65 . N . 65 . CA . 65 . C 1 1 9 . 1 1 16 LEU C 1 1 17 GLN N 1 1 17 GLN CA 1 1 17 GLN C -100.0 -20.0 . 65 . C . 66 . N . 66 . CA . 66 . C 1 1 10 . 1 1 17 GLN C 1 1 18 GLN N 1 1 18 GLN CA 1 1 18 GLN C -89.99999 -30.0 . 66 . C . 67 . N . 67 . CA . 67 . C 1 1 11 . 1 1 18 GLN C 1 1 19 LEU N 1 1 19 LEU CA 1 1 19 LEU C -100.0 -20.0 . 67 . C . 68 . N . 68 . CA . 68 . C 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 ACE C C 4.530 3.502 4.820 1.00 . A A . 50 ACE C 1 1 1 2 1 1 1 ACE CH3 C 5.779 3.600 5.685 1.00 . A A . 50 ACE CH3 1 1 1 3 1 1 1 ACE O O 3.712 2.618 5.011 1.00 . A A . 50 ACE O 1 1 1 4 1 1 2 TYR C C 3.736 -0.370 2.570 1.00 . A A . 51 GLY C 1 1 1 5 1 1 2 TYR CA C 3.377 0.836 1.697 1.00 . A A . 51 GLY CA 1 1 1 6 1 1 2 TYR H H 3.043 2.041 3.456 1.00 . A A . 51 GLY H 1 1 1 7 1 1 2 TYR N N 3.247 2.083 2.502 1.00 . A A . 51 GLY N 1 1 1 8 1 1 2 TYR O O 4.283 -1.329 2.068 1.00 . A A . 51 GLY O 1 1 1 9 1 1 3 GLY C C 2.502 -2.234 5.174 1.00 . A A . 52 ASP C 1 1 1 10 1 1 3 GLY CA C 3.756 -1.468 4.745 1.00 . A A . 52 ASP CA 1 1 1 11 1 1 3 GLY H H 2.987 0.465 4.226 1.00 . A A . 52 ASP H 1 1 1 12 1 1 3 GLY N N 3.429 -0.318 3.842 1.00 . A A . 52 ASP N 1 1 1 13 1 1 3 GLY O O 2.595 -3.347 5.652 1.00 . A A . 52 ASP O 1 1 1 14 1 1 4 ASP C C -0.163 -3.539 4.498 1.00 . A A . 53 THR C 1 1 1 15 1 1 4 ASP CA C 0.103 -2.383 5.406 1.00 . A A . 53 THR CA 1 1 1 16 1 1 4 ASP CB C -1.108 -1.380 5.418 1.00 . A A . 53 THR CB 1 1 1 17 1 1 4 ASP H H 1.267 -0.790 4.564 1.00 . A A . 53 THR H 1 1 1 18 1 1 4 ASP HA H 0.306 -2.817 6.349 1.00 . A A . 53 THR HA 1 1 1 19 1 1 4 ASP N N 1.339 -1.661 4.984 1.00 . A A . 53 THR N 1 1 1 20 1 1 4 ASP O O -1.026 -4.360 4.756 1.00 . A A . 53 THR O 1 1 1 21 1 1 5 THR C C 0.766 -5.980 3.178 1.00 . A A . 54 TRP C 1 1 1 22 1 1 5 THR CA C 0.446 -4.661 2.495 1.00 . A A . 54 TRP CA 1 1 1 23 1 1 5 THR CB C 1.374 -4.424 1.302 1.00 . A A . 54 TRP CB 1 1 1 24 1 1 5 THR H H 1.282 -2.868 3.346 1.00 . A A . 54 TRP H 1 1 1 25 1 1 5 THR HA H -0.598 -4.629 2.247 1.00 . A A . 54 TRP HA 1 1 1 26 1 1 5 THR N N 0.613 -3.567 3.459 1.00 . A A . 54 TRP N 1 1 1 27 1 1 5 THR O O 0.385 -7.032 2.703 1.00 . A A . 54 TRP O 1 1 1 28 1 1 6 TRP C C 0.500 -7.868 5.415 1.00 . A A . 55 ALA C 1 1 1 29 1 1 6 TRP CA C 1.803 -7.150 5.011 1.00 . A A . 55 ALA CA 1 1 1 30 1 1 6 TRP CB C 2.628 -6.787 6.255 1.00 . A A . 55 ALA CB 1 1 1 31 1 1 6 TRP H H 1.748 -5.004 4.617 1.00 . A A . 55 ALA H 1 1 1 32 1 1 6 TRP HA H 2.343 -7.802 4.338 1.00 . A A . 55 ALA HA 1 1 1 33 1 1 6 TRP HB2 H 2.064 -6.135 6.908 1.00 . A A . 55 ALA HB1 1 1 1 34 1 1 6 TRP HB3 H 2.886 -7.683 6.801 1.00 . A A . 55 ALA HB2 1 1 1 35 1 1 6 TRP N N 1.460 -5.890 4.283 1.00 . A A . 55 ALA N 1 1 1 36 1 1 6 TRP O O 0.443 -9.079 5.525 1.00 . A A . 55 ALA O 1 1 1 37 1 1 7 ALA C C -2.380 -8.346 4.769 1.00 . A A . 56 GLY C 1 1 1 38 1 1 7 ALA CA C -1.842 -7.661 6.008 1.00 . A A . 56 GLY CA 1 1 1 39 1 1 7 ALA H H -0.426 -6.114 5.482 1.00 . A A . 56 GLY H 1 1 1 40 1 1 7 ALA N N -0.525 -7.080 5.611 1.00 . A A . 56 GLY N 1 1 1 41 1 1 7 ALA O O -2.754 -9.499 4.790 1.00 . A A . 56 GLY O 1 1 1 42 1 1 8 GLY C C -2.205 -9.457 2.078 1.00 . A A . 57 VAL C 1 1 1 43 1 1 8 GLY CA C -2.886 -8.114 2.400 1.00 . A A . 57 VAL CA 1 1 1 44 1 1 8 GLY H H -2.062 -6.677 3.749 1.00 . A A . 57 VAL H 1 1 1 45 1 1 8 GLY N N -2.390 -7.598 3.703 1.00 . A A . 57 VAL N 1 1 1 46 1 1 8 GLY O O -2.829 -10.439 1.709 1.00 . A A . 57 VAL O 1 1 1 47 1 1 9 VAL C C -0.591 -11.849 2.789 1.00 . A A . 58 GLU C 1 1 1 48 1 1 9 VAL CA C -0.105 -10.666 1.974 1.00 . A A . 58 GLU CA 1 1 1 49 1 1 9 VAL CB C 1.363 -10.366 2.327 1.00 . A A . 58 GLU CB 1 1 1 50 1 1 9 VAL H H -0.468 -8.621 2.555 1.00 . A A . 58 GLU H 1 1 1 51 1 1 9 VAL HA H -0.266 -10.951 0.935 1.00 . A A . 58 GLU HA 1 1 1 52 1 1 9 VAL N N -0.913 -9.443 2.244 1.00 . A A . 58 GLU N 1 1 1 53 1 1 9 VAL O O -0.450 -12.980 2.375 1.00 . A A . 58 GLU O 1 1 1 54 1 1 10 GLU C C -2.899 -13.325 4.112 1.00 . A A . 59 ALA C 1 1 1 55 1 1 10 GLU CA C -1.651 -12.719 4.755 1.00 . A A . 59 ALA CA 1 1 1 56 1 1 10 GLU CB C -1.957 -12.179 6.161 1.00 . A A . 59 ALA CB 1 1 1 57 1 1 10 GLU H H -1.280 -10.641 4.194 1.00 . A A . 59 ALA H 1 1 1 58 1 1 10 GLU HA H -0.888 -13.487 4.767 1.00 . A A . 59 ALA HA 1 1 1 59 1 1 10 GLU HB2 H -1.065 -11.742 6.590 1.00 . A A . 59 ALA HB1 1 1 1 60 1 1 10 GLU HB3 H -2.718 -11.414 6.113 1.00 . A A . 59 ALA HB2 1 1 1 61 1 1 10 GLU N N -1.166 -11.580 3.921 1.00 . A A . 59 ALA N 1 1 1 62 1 1 10 GLU O O -3.196 -14.494 4.252 1.00 . A A . 59 ALA O 1 1 1 63 1 1 11 ALA C C -4.468 -13.675 1.442 1.00 . A A . 60 ILE C 1 1 1 64 1 1 11 ALA CA C -4.838 -12.928 2.722 1.00 . A A . 60 ILE CA 1 1 1 65 1 1 11 ALA CB C -5.692 -11.677 2.396 1.00 . A A . 60 ILE CB 1 1 1 66 1 1 11 ALA H H -3.279 -11.553 3.325 1.00 . A A . 60 ILE H 1 1 1 67 1 1 11 ALA HA H -5.359 -13.627 3.364 1.00 . A A . 60 ILE HA 1 1 1 68 1 1 11 ALA N N -3.591 -12.483 3.405 1.00 . A A . 60 ILE N 1 1 1 69 1 1 11 ALA O O -4.883 -14.799 1.224 1.00 . A A . 60 ILE O 1 1 1 70 1 1 12 ILE C C -2.600 -14.987 -0.302 1.00 . A A . 61 ILE C 1 1 1 71 1 1 12 ILE CA C -3.263 -13.662 -0.650 1.00 . A A . 61 ILE CA 1 1 1 72 1 1 12 ILE CB C -2.334 -12.653 -1.395 1.00 . A A . 61 ILE CB 1 1 1 73 1 1 12 ILE CD1 C -0.108 -13.659 -1.361 1.00 . A A . 61 ILE CD1 1 1 1 74 1 1 12 ILE CG1 C -0.981 -12.538 -0.786 1.00 . A A . 61 ILE CG1 1 1 1 75 1 1 12 ILE CG2 C -3.021 -11.277 -1.524 1.00 . A A . 61 ILE CG2 1 1 1 76 1 1 12 ILE H H -3.339 -12.130 0.859 1.00 . A A . 61 ILE H 1 1 1 77 1 1 12 ILE HA H -4.092 -13.863 -1.289 1.00 . A A . 61 ILE HA 1 1 1 78 1 1 12 ILE HB H -2.153 -12.978 -2.394 1.00 . A A . 61 ILE HB 1 1 1 79 1 1 12 ILE HD11 H -0.503 -14.643 -1.180 1.00 . A A . 61 ILE HD11 1 1 1 80 1 1 12 ILE HD12 H -0.033 -13.525 -2.430 1.00 . A A . 61 ILE HD12 1 1 1 81 1 1 12 ILE HD13 H 0.864 -13.593 -0.910 1.00 . A A . 61 ILE HD13 1 1 1 82 1 1 12 ILE HG13 H -0.549 -11.583 -1.039 1.00 . A A . 61 ILE HG12 1 1 1 83 1 1 12 ILE HG21 H -3.941 -11.379 -2.081 1.00 . A A . 61 ILE HG21 1 1 1 84 1 1 12 ILE HG22 H -3.251 -10.850 -0.561 1.00 . A A . 61 ILE HG22 1 1 1 85 1 1 12 ILE HG23 H -2.381 -10.588 -2.056 1.00 . A A . 61 ILE HG23 1 1 1 86 1 1 12 ILE N N -3.674 -13.025 0.628 1.00 . A A . 61 ILE N 1 1 1 87 1 1 12 ILE O O -2.834 -15.955 -0.999 1.00 . A A . 61 ILE O 1 1 1 88 1 1 13 ILE C C -2.063 -17.466 1.227 1.00 . A A . 62 ARG C 1 1 1 89 1 1 13 ILE CA C -1.124 -16.259 1.170 1.00 . A A . 62 ARG CA 1 1 1 90 1 1 13 ILE CB C -0.474 -16.054 2.566 1.00 . A A . 62 ARG CB 1 1 1 91 1 1 13 ILE H H -1.665 -14.175 1.286 1.00 . A A . 62 ARG H 1 1 1 92 1 1 13 ILE HA H -0.369 -16.473 0.429 1.00 . A A . 62 ARG HA 1 1 1 93 1 1 13 ILE HD12 H 3.008 -15.967 2.426 1.00 . A A . 62 ARG HD2 1 1 1 94 1 1 13 ILE HD13 H 2.015 -16.937 3.502 1.00 . A A . 62 ARG HD3 1 1 1 95 1 1 13 ILE N N -1.814 -14.997 0.755 1.00 . A A . 62 ARG N 1 1 1 96 1 1 13 ILE O O -1.618 -18.578 1.029 1.00 . A A . 62 ARG O 1 1 1 97 1 1 14 ARG C C -5.467 -18.193 0.582 1.00 . A A . 63 ILE C 1 1 1 98 1 1 14 ARG CA C -4.297 -18.390 1.554 1.00 . A A . 63 ILE CA 1 1 1 99 1 1 14 ARG CB C -4.702 -18.458 3.050 1.00 . A A . 63 ILE CB 1 1 1 100 1 1 14 ARG H H -3.655 -16.329 1.646 1.00 . A A . 63 ILE H 1 1 1 101 1 1 14 ARG HA H -3.852 -19.342 1.267 1.00 . A A . 63 ILE HA 1 1 1 102 1 1 14 ARG N N -3.325 -17.246 1.486 1.00 . A A . 63 ILE N 1 1 1 103 1 1 14 ARG O O -6.447 -18.908 0.618 1.00 . A A . 63 ILE O 1 1 1 104 1 1 15 ILE C C -6.286 -17.962 -2.384 1.00 . A A . 64 LEU C 1 1 1 105 1 1 15 ILE CA C -6.369 -16.910 -1.273 1.00 . A A . 64 LEU CA 1 1 1 106 1 1 15 ILE CB C -6.093 -15.456 -1.756 1.00 . A A . 64 LEU CB 1 1 1 107 1 1 15 ILE CD1 C -8.522 -14.750 -2.047 1.00 . A A . 64 LEU CD1 1 1 1 108 1 1 15 ILE H H -4.492 -16.682 -0.241 1.00 . A A . 64 LEU H 1 1 1 109 1 1 15 ILE HA H -7.329 -17.016 -0.802 1.00 . A A . 64 LEU HA 1 1 1 110 1 1 15 ILE HD11 H -8.438 -14.052 -1.225 1.00 . A A . 64 LEU HD11 1 1 1 111 1 1 15 ILE HD12 H -9.252 -14.366 -2.746 1.00 . A A . 64 LEU HD12 1 1 1 112 1 1 15 ILE HD13 H -8.885 -15.693 -1.667 1.00 . A A . 64 LEU HD13 1 1 1 113 1 1 15 ILE N N -5.314 -17.217 -0.270 1.00 . A A . 64 LEU N 1 1 1 114 1 1 15 ILE O O -6.689 -19.095 -2.187 1.00 . A A . 64 LEU O 1 1 1 115 1 1 16 LEU C C -4.898 -19.912 -4.260 1.00 . A A . 65 GLN C 1 1 1 116 1 1 16 LEU CA C -5.694 -18.652 -4.601 1.00 . A A . 65 GLN CA 1 1 1 117 1 1 16 LEU CB C -5.102 -18.043 -5.906 1.00 . A A . 65 GLN CB 1 1 1 118 1 1 16 LEU CG C -3.782 -17.274 -5.693 1.00 . A A . 65 GLN CG 1 1 1 119 1 1 16 LEU H H -5.431 -16.716 -3.699 1.00 . A A . 65 GLN H 1 1 1 120 1 1 16 LEU HA H -6.705 -18.971 -4.766 1.00 . A A . 65 GLN HA 1 1 1 121 1 1 16 LEU HB3 H -4.912 -18.843 -6.600 1.00 . A A . 65 GLN HB2 1 1 1 122 1 1 16 LEU N N -5.763 -17.619 -3.533 1.00 . A A . 65 GLN N 1 1 1 123 1 1 16 LEU O O -4.755 -20.767 -5.110 1.00 . A A . 65 GLN O 1 1 1 124 1 1 17 GLN C C -4.672 -22.410 -2.651 1.00 . A A . 66 GLN C 1 1 1 125 1 1 17 GLN CA C -3.636 -21.283 -2.747 1.00 . A A . 66 GLN CA 1 1 1 126 1 1 17 GLN CB C -2.883 -21.136 -1.385 1.00 . A A . 66 GLN CB 1 1 1 127 1 1 17 GLN CD C -1.316 -19.188 -2.066 1.00 . A A . 66 GLN CD 1 1 1 128 1 1 17 GLN CG C -1.410 -20.627 -1.562 1.00 . A A . 66 GLN CG 1 1 1 129 1 1 17 GLN H H -4.562 -19.341 -2.381 1.00 . A A . 66 GLN H 1 1 1 130 1 1 17 GLN HA H -2.971 -21.504 -3.571 1.00 . A A . 66 GLN HA 1 1 1 131 1 1 17 GLN HB3 H -3.427 -20.474 -0.731 1.00 . A A . 66 GLN HB2 1 1 1 132 1 1 17 GLN HE21 H -2.802 -18.570 -0.932 1.00 . A A . 66 GLN HE21 1 1 1 133 1 1 17 GLN HE22 H -2.092 -17.384 -1.913 1.00 . A A . 66 GLN HE22 1 1 1 134 1 1 17 GLN HG3 H -0.907 -20.668 -0.606 1.00 . A A . 66 GLN HG2 1 1 1 135 1 1 17 GLN N N -4.408 -20.039 -3.057 1.00 . A A . 66 GLN N 1 1 1 136 1 1 17 GLN NE2 N -2.140 -18.309 -1.599 1.00 . A A . 66 GLN NE2 1 1 1 137 1 1 17 GLN O O -4.454 -23.528 -3.077 1.00 . A A . 66 GLN O 1 1 1 138 1 1 17 GLN OE1 O -0.495 -18.831 -2.883 1.00 . A A . 66 GLN OE1 1 1 1 139 1 1 18 GLN C C -7.634 -23.246 -3.238 1.00 . A A . 67 LEU C 1 1 1 140 1 1 18 GLN CA C -6.906 -23.026 -1.922 1.00 . A A . 67 LEU CA 1 1 1 141 1 1 18 GLN CB C -7.873 -22.488 -0.868 1.00 . A A . 67 LEU CB 1 1 1 142 1 1 18 GLN CG C -7.139 -22.165 0.458 1.00 . A A . 67 LEU CG 1 1 1 143 1 1 18 GLN H H -5.914 -21.100 -1.807 1.00 . A A . 67 LEU H 1 1 1 144 1 1 18 GLN HA H -6.490 -23.973 -1.614 1.00 . A A . 67 LEU HA 1 1 1 145 1 1 18 GLN HB3 H -8.357 -21.596 -1.242 1.00 . A A . 67 LEU HB2 1 1 1 146 1 1 18 GLN N N -5.797 -22.038 -2.098 1.00 . A A . 67 LEU N 1 1 1 147 1 1 18 GLN O O -8.156 -24.298 -3.549 1.00 . A A . 67 LEU O 1 1 1 148 1 1 19 LEU C C -7.456 -23.010 -6.292 1.00 . A A . 68 LEU C 1 1 1 149 1 1 19 LEU CA C -8.307 -22.260 -5.313 1.00 . A A . 68 LEU CA 1 1 1 150 1 1 19 LEU CB C -8.551 -20.815 -5.753 1.00 . A A . 68 LEU CB 1 1 1 151 1 1 19 LEU CD1 C -9.604 -18.578 -5.117 1.00 . A A . 68 LEU CD1 1 1 1 152 1 1 19 LEU CD2 C -10.954 -20.678 -4.953 1.00 . A A . 68 LEU CD2 1 1 1 153 1 1 19 LEU CG C -9.534 -20.091 -4.780 1.00 . A A . 68 LEU CG 1 1 1 154 1 1 19 LEU H H -7.190 -21.395 -3.694 1.00 . A A . 68 LEU H 1 1 1 155 1 1 19 LEU HA H -9.180 -22.879 -5.220 1.00 . A A . 68 LEU HA 1 1 1 156 1 1 19 LEU HB3 H -7.591 -20.329 -5.754 1.00 . A A . 68 LEU HB2 1 1 1 157 1 1 19 LEU HD11 H -9.945 -18.423 -6.131 1.00 . A A . 68 LEU HD11 1 1 1 158 1 1 19 LEU HD12 H -10.299 -18.089 -4.448 1.00 . A A . 68 LEU HD12 1 1 1 159 1 1 19 LEU HD13 H -8.641 -18.102 -5.001 1.00 . A A . 68 LEU HD13 1 1 1 160 1 1 19 LEU HD21 H -11.302 -20.547 -5.969 1.00 . A A . 68 LEU HD21 1 1 1 161 1 1 19 LEU HD22 H -10.967 -21.734 -4.724 1.00 . A A . 68 LEU HD22 1 1 1 162 1 1 19 LEU HD23 H -11.647 -20.182 -4.288 1.00 . A A . 68 LEU HD23 1 1 1 163 1 1 19 LEU HG H -9.218 -20.216 -3.752 1.00 . A A . 68 LEU HG 1 1 1 164 1 1 19 LEU N N -7.636 -22.204 -4.000 1.00 . A A . 68 LEU N 1 1 1 165 1 1 19 LEU O O -7.971 -23.775 -7.075 1.00 . A A . 68 LEU O 1 1 1 166 1 1 20 LEU C C -5.369 -24.943 -6.815 1.00 . A A . 69 PHE C 1 1 1 167 1 1 20 LEU CA C -5.271 -23.494 -7.147 1.00 . A A . 69 PHE CA 1 1 1 168 1 1 20 LEU CB C -3.832 -22.955 -6.931 1.00 . A A . 69 PHE CB 1 1 1 169 1 1 20 LEU CD1 C -2.576 -24.409 -8.585 1.00 . A A . 69 PHE CD1 1 1 1 170 1 1 20 LEU CD2 C -2.003 -24.571 -6.281 1.00 . A A . 69 PHE CD2 1 1 1 171 1 1 20 LEU CG C -2.773 -24.009 -7.284 1.00 . A A . 69 PHE CG 1 1 1 172 1 1 20 LEU H H -5.796 -22.209 -5.551 1.00 . A A . 69 PHE H 1 1 1 173 1 1 20 LEU HA H -5.659 -23.380 -8.156 1.00 . A A . 69 PHE HA 1 1 1 174 1 1 20 LEU HB3 H -3.663 -22.078 -7.538 1.00 . A A . 69 PHE HB2 1 1 1 175 1 1 20 LEU N N -6.179 -22.804 -6.221 1.00 . A A . 69 PHE N 1 1 1 176 1 1 20 LEU O O -5.329 -25.748 -7.715 1.00 . A A . 69 PHE O 1 1 1 177 1 1 21 PHE C C -6.985 -27.243 -5.570 1.00 . A A . 70 ILE C 1 1 1 178 1 1 21 PHE CA C -5.594 -26.722 -5.309 1.00 . A A . 70 ILE CA 1 1 1 179 1 1 21 PHE CB C -5.115 -26.991 -3.861 1.00 . A A . 70 ILE CB 1 1 1 180 1 1 21 PHE CD1 C -7.141 -26.926 -2.410 1.00 . A A . 70 ILE CD1 1 1 1 181 1 1 21 PHE H H -5.585 -24.593 -4.851 1.00 . A A . 70 ILE H 1 1 1 182 1 1 21 PHE HA H -4.938 -27.205 -5.981 1.00 . A A . 70 ILE HA 1 1 1 183 1 1 21 PHE N N -5.516 -25.267 -5.563 1.00 . A A . 70 ILE N 1 1 1 184 1 1 21 PHE O O -7.162 -28.394 -5.917 1.00 . A A . 70 ILE O 1 1 1 185 1 1 22 ILE C C -9.511 -27.049 -7.171 1.00 . A A . 71 HIS C 1 1 1 186 1 1 22 ILE CA C -9.342 -26.851 -5.668 1.00 . A A . 71 HIS CA 1 1 1 187 1 1 22 ILE CB C -10.315 -25.793 -5.148 1.00 . A A . 71 HIS CB 1 1 1 188 1 1 22 ILE H H -7.768 -25.454 -5.144 1.00 . A A . 71 HIS H 1 1 1 189 1 1 22 ILE HA H -9.460 -27.802 -5.184 1.00 . A A . 71 HIS HA 1 1 1 190 1 1 22 ILE HD11 H -12.197 -26.597 -3.256 1.00 . A A . 71 HIS HD1 1 1 1 191 1 1 22 ILE HD12 H -12.138 -26.361 -7.407 1.00 . A A . 71 HIS HD2 1 1 1 192 1 1 22 ILE N N -7.953 -26.383 -5.418 1.00 . A A . 71 HIS N 1 1 1 193 1 1 22 ILE O O -10.152 -27.968 -7.633 1.00 . A A . 71 HIS O 1 1 1 194 1 1 23 HIS C C -7.949 -27.114 -10.023 1.00 . A A . 72 PHE C 1 1 1 195 1 1 23 HIS CA C -8.929 -26.141 -9.375 1.00 . A A . 72 PHE CA 1 1 1 196 1 1 23 HIS CB C -8.630 -24.697 -9.881 1.00 . A A . 72 PHE CB 1 1 1 197 1 1 23 HIS CD2 C -10.268 -23.388 -11.311 1.00 . A A . 72 PHE CD2 1 1 1 198 1 1 23 HIS CE1 C -12.043 -23.107 -9.226 1.00 . A A . 72 PHE CE1 1 1 1 199 1 1 23 HIS CG C -9.954 -23.934 -10.081 1.00 . A A . 72 PHE CG 1 1 1 200 1 1 23 HIS H H -8.408 -25.476 -7.343 1.00 . A A . 72 PHE H 1 1 1 201 1 1 23 HIS HA H -9.921 -26.439 -9.690 1.00 . A A . 72 PHE HA 1 1 1 202 1 1 23 HIS HB3 H -8.047 -24.157 -9.162 1.00 . A A . 72 PHE HB2 1 1 1 203 1 1 23 HIS HD1 H -10.626 -24.206 -8.073 1.00 . A A . 72 PHE HD1 1 1 1 204 1 1 23 HIS HD2 H -9.581 -23.491 -12.139 1.00 . A A . 72 PHE HD2 1 1 1 205 1 1 23 HIS HE1 H -12.736 -23.001 -8.404 1.00 . A A . 72 PHE HE1 1 1 1 206 1 1 23 HIS N N -8.896 -26.147 -7.872 1.00 . A A . 72 PHE N 1 1 1 207 1 1 23 HIS O O -8.298 -27.847 -10.924 1.00 . A A . 72 PHE O 1 1 1 208 1 1 24 PHE C C -6.174 -29.435 -9.966 1.00 . A A . 73 ARG C 1 1 1 209 1 1 24 PHE CA C -5.685 -27.996 -10.100 1.00 . A A . 73 ARG CA 1 1 1 210 1 1 24 PHE CB C -4.381 -27.777 -9.311 1.00 . A A . 73 ARG CB 1 1 1 211 1 1 24 PHE CG C -3.198 -28.540 -9.910 1.00 . A A . 73 ARG CG 1 1 1 212 1 1 24 PHE CZ C -1.205 -28.496 -12.997 1.00 . A A . 73 ARG CZ 1 1 1 213 1 1 24 PHE H H -6.525 -26.472 -8.816 1.00 . A A . 73 ARG H 1 1 1 214 1 1 24 PHE HA H -5.560 -27.771 -11.148 1.00 . A A . 73 ARG HA 1 1 1 215 1 1 24 PHE HB3 H -4.128 -26.729 -9.344 1.00 . A A . 73 ARG HB2 1 1 1 216 1 1 24 PHE HD2 H -3.634 -28.300 -12.026 1.00 . A A . 73 ARG HD2 1 1 1 217 1 1 24 PHE N N -6.738 -27.089 -9.544 1.00 . A A . 73 ARG N 1 1 1 218 1 1 24 PHE O O -5.982 -30.244 -10.853 1.00 . A A . 73 ARG O 1 1 1 219 1 1 25 ARG C C -8.721 -31.120 -9.245 1.00 . A A . 74 ILE C 1 1 1 220 1 1 25 ARG CA C -7.315 -31.084 -8.619 1.00 . A A . 74 ILE CA 1 1 1 221 1 1 25 ARG CB C -7.343 -31.334 -7.089 1.00 . A A . 74 ILE CB 1 1 1 222 1 1 25 ARG H H -6.906 -29.042 -8.146 1.00 . A A . 74 ILE H 1 1 1 223 1 1 25 ARG HA H -6.689 -31.803 -9.132 1.00 . A A . 74 ILE HA 1 1 1 224 1 1 25 ARG N N -6.790 -29.716 -8.847 1.00 . A A . 74 ILE N 1 1 1 225 1 1 25 ARG O O -8.996 -31.925 -10.113 1.00 . A A . 74 ILE O 1 1 1 226 1 1 26 ILE C C -10.969 -29.476 -10.687 1.00 . A A . 75 GLY C 1 1 1 227 1 1 26 ILE CA C -10.976 -30.195 -9.342 1.00 . A A . 75 GLY CA 1 1 1 228 1 1 26 ILE H H -9.329 -29.601 -8.105 1.00 . A A . 75 GLY H 1 1 1 229 1 1 26 ILE N N -9.583 -30.245 -8.800 1.00 . A A . 75 GLY N 1 1 1 230 1 1 26 ILE O O -11.668 -28.510 -10.908 1.00 . A A . 75 GLY O 1 1 1 231 1 1 27 GLY N N -10.187 -29.908 -11.628 1.00 . A A . 76 NH2 N 1 1 2 232 1 1 1 ACE C C 4.286 3.322 9.083 1.00 . A A . 50 ACE C 1 1 2 233 1 1 1 ACE CH3 C 5.395 4.122 9.759 1.00 . A A . 50 ACE CH3 1 1 2 234 1 1 1 ACE O O 4.371 2.116 8.983 1.00 . A A . 50 ACE O 1 1 2 235 1 1 2 TYR C C 4.114 -0.019 5.369 1.00 . A A . 51 GLY C 1 1 2 236 1 1 2 TYR CA C 4.019 1.484 5.134 1.00 . A A . 51 GLY CA 1 1 2 237 1 1 2 TYR H H 4.309 2.274 7.124 1.00 . A A . 51 GLY H 1 1 2 238 1 1 2 TYR N N 3.640 2.174 6.414 1.00 . A A . 51 GLY N 1 1 2 239 1 1 2 TYR O O 4.757 -0.732 4.627 1.00 . A A . 51 GLY O 1 1 2 240 1 1 3 GLY C C 2.028 -2.483 6.791 1.00 . A A . 52 ASP C 1 1 2 241 1 1 3 GLY CA C 3.458 -1.917 6.780 1.00 . A A . 52 ASP CA 1 1 2 242 1 1 3 GLY H H 2.960 0.179 6.960 1.00 . A A . 52 ASP H 1 1 2 243 1 1 3 GLY N N 3.460 -0.461 6.408 1.00 . A A . 52 ASP N 1 1 2 244 1 1 3 GLY O O 1.689 -3.284 7.639 1.00 . A A . 52 ASP O 1 1 2 245 1 1 4 ASP C C -0.377 -3.766 4.930 1.00 . A A . 53 THR C 1 1 2 246 1 1 4 ASP CA C -0.194 -2.542 5.775 1.00 . A A . 53 THR CA 1 1 2 247 1 1 4 ASP CB C -1.001 -1.348 5.241 1.00 . A A . 53 THR CB 1 1 2 248 1 1 4 ASP H H 1.507 -1.418 5.179 1.00 . A A . 53 THR H 1 1 2 249 1 1 4 ASP HA H -0.508 -2.875 6.717 1.00 . A A . 53 THR HA 1 1 2 250 1 1 4 ASP N N 1.220 -2.064 5.859 1.00 . A A . 53 THR N 1 1 2 251 1 1 4 ASP O O -0.974 -4.776 5.265 1.00 . A A . 53 THR O 1 1 2 252 1 1 5 THR C C 0.650 -5.994 3.241 1.00 . A A . 54 TRP C 1 1 2 253 1 1 5 THR CA C 0.182 -4.618 2.765 1.00 . A A . 54 TRP CA 1 1 2 254 1 1 5 THR CB C 1.038 -4.108 1.601 1.00 . A A . 54 TRP CB 1 1 2 255 1 1 5 THR H H 0.633 -2.701 3.716 1.00 . A A . 54 TRP H 1 1 2 256 1 1 5 THR HA H -0.858 -4.685 2.516 1.00 . A A . 54 TRP HA 1 1 2 257 1 1 5 THR N N 0.204 -3.576 3.807 1.00 . A A . 54 TRP N 1 1 2 258 1 1 5 THR O O 0.411 -6.992 2.587 1.00 . A A . 54 TRP O 1 1 2 259 1 1 6 TRP C C 0.566 -8.156 5.333 1.00 . A A . 55 ALA C 1 1 2 260 1 1 6 TRP CA C 1.785 -7.319 4.912 1.00 . A A . 55 ALA CA 1 1 2 261 1 1 6 TRP CB C 2.693 -7.051 6.120 1.00 . A A . 55 ALA CB 1 1 2 262 1 1 6 TRP H H 1.446 -5.172 4.861 1.00 . A A . 55 ALA H 1 1 2 263 1 1 6 TRP HA H 2.306 -7.851 4.128 1.00 . A A . 55 ALA HA 1 1 2 264 1 1 6 TRP HB2 H 3.544 -6.451 5.830 1.00 . A A . 55 ALA HB1 1 1 2 265 1 1 6 TRP HB3 H 2.149 -6.537 6.899 1.00 . A A . 55 ALA HB2 1 1 2 266 1 1 6 TRP N N 1.296 -6.013 4.375 1.00 . A A . 55 ALA N 1 1 2 267 1 1 6 TRP O O 0.539 -9.367 5.203 1.00 . A A . 55 ALA O 1 1 2 268 1 1 7 ALA C C -2.353 -8.619 5.004 1.00 . A A . 56 GLY C 1 1 2 269 1 1 7 ALA CA C -1.671 -8.152 6.273 1.00 . A A . 56 GLY CA 1 1 2 270 1 1 7 ALA H H -0.355 -6.483 5.873 1.00 . A A . 56 GLY H 1 1 2 271 1 1 7 ALA N N -0.428 -7.460 5.822 1.00 . A A . 56 GLY N 1 1 2 272 1 1 7 ALA O O -2.785 -9.747 4.886 1.00 . A A . 56 GLY O 1 1 2 273 1 1 8 GLY C C -2.445 -9.288 2.181 1.00 . A A . 57 VAL C 1 1 2 274 1 1 8 GLY CA C -3.047 -8.000 2.766 1.00 . A A . 57 VAL CA 1 1 2 275 1 1 8 GLY H H -2.034 -6.824 4.232 1.00 . A A . 57 VAL H 1 1 2 276 1 1 8 GLY N N -2.414 -7.711 4.073 1.00 . A A . 57 VAL N 1 1 2 277 1 1 8 GLY O O -3.169 -10.184 1.788 1.00 . A A . 57 VAL O 1 1 2 278 1 1 9 VAL C C -0.918 -11.873 2.339 1.00 . A A . 58 GLU C 1 1 2 279 1 1 9 VAL CA C -0.538 -10.612 1.571 1.00 . A A . 58 GLU CA 1 1 2 280 1 1 9 VAL CB C 0.983 -10.524 1.572 1.00 . A A . 58 GLU CB 1 1 2 281 1 1 9 VAL H H -0.567 -8.633 2.455 1.00 . A A . 58 GLU H 1 1 2 282 1 1 9 VAL HA H -0.925 -10.729 0.569 1.00 . A A . 58 GLU HA 1 1 2 283 1 1 9 VAL N N -1.141 -9.368 2.134 1.00 . A A . 58 GLU N 1 1 2 284 1 1 9 VAL O O -0.854 -12.963 1.813 1.00 . A A . 58 GLU O 1 1 2 285 1 1 10 GLU C C -2.924 -13.545 3.666 1.00 . A A . 59 ALA C 1 1 2 286 1 1 10 GLU CA C -1.689 -12.947 4.339 1.00 . A A . 59 ALA CA 1 1 2 287 1 1 10 GLU CB C -1.996 -12.550 5.795 1.00 . A A . 59 ALA CB 1 1 2 288 1 1 10 GLU H H -1.367 -10.821 3.951 1.00 . A A . 59 ALA H 1 1 2 289 1 1 10 GLU HA H -0.888 -13.669 4.266 1.00 . A A . 59 ALA HA 1 1 2 290 1 1 10 GLU HB2 H -1.133 -12.073 6.240 1.00 . A A . 59 ALA HB1 1 1 2 291 1 1 10 GLU HB3 H -2.827 -11.862 5.833 1.00 . A A . 59 ALA HB2 1 1 2 292 1 1 10 GLU N N -1.314 -11.723 3.566 1.00 . A A . 59 ALA N 1 1 2 293 1 1 10 GLU O O -3.177 -14.731 3.721 1.00 . A A . 59 ALA O 1 1 2 294 1 1 11 ALA C C -4.510 -13.726 0.976 1.00 . A A . 60 ILE C 1 1 2 295 1 1 11 ALA CA C -4.893 -13.082 2.322 1.00 . A A . 60 ILE CA 1 1 2 296 1 1 11 ALA CB C -5.773 -11.818 2.100 1.00 . A A . 60 ILE CB 1 1 2 297 1 1 11 ALA H H -3.372 -11.722 3.024 1.00 . A A . 60 ILE H 1 1 2 298 1 1 11 ALA HA H -5.397 -13.832 2.916 1.00 . A A . 60 ILE HA 1 1 2 299 1 1 11 ALA N N -3.651 -12.668 3.033 1.00 . A A . 60 ILE N 1 1 2 300 1 1 11 ALA O O -4.886 -14.843 0.673 1.00 . A A . 60 ILE O 1 1 2 301 1 1 12 ILE C C -2.567 -14.863 -0.905 1.00 . A A . 61 ILE C 1 1 2 302 1 1 12 ILE CA C -3.339 -13.557 -1.131 1.00 . A A . 61 ILE CA 1 1 2 303 1 1 12 ILE CB C -2.520 -12.435 -1.864 1.00 . A A . 61 ILE CB 1 1 2 304 1 1 12 ILE CD1 C -0.217 -13.268 -1.995 1.00 . A A . 61 ILE CD1 1 1 2 305 1 1 12 ILE CG1 C -1.129 -12.267 -1.319 1.00 . A A . 61 ILE CG1 1 1 2 306 1 1 12 ILE CG2 C -3.278 -11.078 -1.801 1.00 . A A . 61 ILE CG2 1 1 2 307 1 1 12 ILE H H -3.436 -12.117 0.473 1.00 . A A . 61 ILE H 1 1 2 308 1 1 12 ILE HA H -4.172 -13.766 -1.755 1.00 . A A . 61 ILE HA 1 1 2 309 1 1 12 ILE HB H -2.437 -12.688 -2.905 1.00 . A A . 61 ILE HB 1 1 2 310 1 1 12 ILE HD11 H -0.532 -14.283 -1.831 1.00 . A A . 61 ILE HD11 1 1 2 311 1 1 12 ILE HD12 H -0.223 -13.074 -3.056 1.00 . A A . 61 ILE HD12 1 1 2 312 1 1 12 ILE HD13 H 0.770 -13.135 -1.592 1.00 . A A . 61 ILE HD13 1 1 2 313 1 1 12 ILE HG13 H -0.766 -11.266 -1.492 1.00 . A A . 61 ILE HG12 1 1 2 314 1 1 12 ILE HG21 H -4.247 -11.173 -2.271 1.00 . A A . 61 ILE HG21 1 1 2 315 1 1 12 ILE HG22 H -3.422 -10.738 -0.787 1.00 . A A . 61 ILE HG22 1 1 2 316 1 1 12 ILE HG23 H -2.723 -10.319 -2.335 1.00 . A A . 61 ILE HG23 1 1 2 317 1 1 12 ILE N N -3.747 -13.005 0.194 1.00 . A A . 61 ILE N 1 1 2 318 1 1 12 ILE O O -2.693 -15.802 -1.669 1.00 . A A . 61 ILE O 1 1 2 319 1 1 13 ILE C C -1.923 -17.370 0.627 1.00 . A A . 62 ARG C 1 1 2 320 1 1 13 ILE CA C -1.020 -16.159 0.412 1.00 . A A . 62 ARG CA 1 1 2 321 1 1 13 ILE CB C -0.110 -15.984 1.644 1.00 . A A . 62 ARG CB 1 1 2 322 1 1 13 ILE H H -1.714 -14.146 0.766 1.00 . A A . 62 ARG H 1 1 2 323 1 1 13 ILE HA H -0.388 -16.349 -0.436 1.00 . A A . 62 ARG HA 1 1 2 324 1 1 13 ILE HD12 H 2.576 -16.584 2.103 1.00 . A A . 62 ARG HD2 1 1 2 325 1 1 13 ILE HD13 H 3.192 -14.944 1.896 1.00 . A A . 62 ARG HD3 1 1 2 326 1 1 13 ILE N N -1.792 -14.910 0.152 1.00 . A A . 62 ARG N 1 1 2 327 1 1 13 ILE O O -1.433 -18.478 0.550 1.00 . A A . 62 ARG O 1 1 2 328 1 1 14 ARG C C -5.168 -18.370 -0.036 1.00 . A A . 63 ILE C 1 1 2 329 1 1 14 ARG CA C -4.107 -18.335 1.099 1.00 . A A . 63 ILE CA 1 1 2 330 1 1 14 ARG CB C -4.744 -18.184 2.519 1.00 . A A . 63 ILE CB 1 1 2 331 1 1 14 ARG H H -3.536 -16.250 0.969 1.00 . A A . 63 ILE H 1 1 2 332 1 1 14 ARG HA H -3.568 -19.267 1.116 1.00 . A A . 63 ILE HA 1 1 2 333 1 1 14 ARG N N -3.188 -17.167 0.894 1.00 . A A . 63 ILE N 1 1 2 334 1 1 14 ARG O O -5.714 -19.402 -0.378 1.00 . A A . 63 ILE O 1 1 2 335 1 1 15 ILE C C -6.120 -17.907 -2.841 1.00 . A A . 64 LEU C 1 1 2 336 1 1 15 ILE CA C -6.344 -16.933 -1.696 1.00 . A A . 64 LEU CA 1 1 2 337 1 1 15 ILE CB C -6.118 -15.463 -2.127 1.00 . A A . 64 LEU CB 1 1 2 338 1 1 15 ILE CD1 C -8.519 -14.772 -2.477 1.00 . A A . 64 LEU CD1 1 1 2 339 1 1 15 ILE H H -4.848 -16.466 -0.265 1.00 . A A . 64 LEU H 1 1 2 340 1 1 15 ILE HA H -7.342 -17.081 -1.313 1.00 . A A . 64 LEU HA 1 1 2 341 1 1 15 ILE HD11 H -8.874 -15.704 -2.067 1.00 . A A . 64 LEU HD11 1 1 2 342 1 1 15 ILE HD12 H -8.459 -14.043 -1.681 1.00 . A A . 64 LEU HD12 1 1 2 343 1 1 15 ILE HD13 H -9.242 -14.429 -3.203 1.00 . A A . 64 LEU HD13 1 1 2 344 1 1 15 ILE N N -5.378 -17.209 -0.592 1.00 . A A . 64 LEU N 1 1 2 345 1 1 15 ILE O O -6.834 -18.881 -2.984 1.00 . A A . 64 LEU O 1 1 2 346 1 1 16 LEU C C -4.342 -19.907 -4.230 1.00 . A A . 65 GLN C 1 1 2 347 1 1 16 LEU CA C -4.945 -18.630 -4.755 1.00 . A A . 65 GLN CA 1 1 2 348 1 1 16 LEU CB C -4.029 -18.038 -5.858 1.00 . A A . 65 GLN CB 1 1 2 349 1 1 16 LEU CG C -2.767 -17.369 -5.269 1.00 . A A . 65 GLN CG 1 1 2 350 1 1 16 LEU H H -4.538 -16.879 -3.562 1.00 . A A . 65 GLN H 1 1 2 351 1 1 16 LEU HA H -5.919 -18.904 -5.112 1.00 . A A . 65 GLN HA 1 1 2 352 1 1 16 LEU HB3 H -3.720 -18.840 -6.505 1.00 . A A . 65 GLN HB2 1 1 2 353 1 1 16 LEU N N -5.132 -17.658 -3.656 1.00 . A A . 65 GLN N 1 1 2 354 1 1 16 LEU O O -4.175 -20.836 -4.991 1.00 . A A . 65 GLN O 1 1 2 355 1 1 17 GLN C C -4.558 -22.258 -2.262 1.00 . A A . 66 GLN C 1 1 2 356 1 1 17 GLN CA C -3.445 -21.240 -2.467 1.00 . A A . 66 GLN CA 1 1 2 357 1 1 17 GLN CB C -2.692 -20.978 -1.142 1.00 . A A . 66 GLN CB 1 1 2 358 1 1 17 GLN CD C -0.972 -19.492 -2.326 1.00 . A A . 66 GLN CD 1 1 2 359 1 1 17 GLN CG C -1.185 -20.711 -1.420 1.00 . A A . 66 GLN CG 1 1 2 360 1 1 17 GLN H H -4.226 -19.188 -2.379 1.00 . A A . 66 GLN H 1 1 2 361 1 1 17 GLN HA H -2.769 -21.624 -3.220 1.00 . A A . 66 GLN HA 1 1 2 362 1 1 17 GLN HB3 H -3.110 -20.117 -0.652 1.00 . A A . 66 GLN HB2 1 1 2 363 1 1 17 GLN HE21 H -0.110 -18.415 -0.920 1.00 . A A . 66 GLN HE21 1 1 2 364 1 1 17 GLN HE22 H -0.249 -17.662 -2.447 1.00 . A A . 66 GLN HE22 1 1 2 365 1 1 17 GLN HG3 H -0.675 -20.536 -0.484 1.00 . A A . 66 GLN HG2 1 1 2 366 1 1 17 GLN N N -4.044 -19.963 -2.963 1.00 . A A . 66 GLN N 1 1 2 367 1 1 17 GLN NE2 N -0.393 -18.432 -1.860 1.00 . A A . 66 GLN NE2 1 1 2 368 1 1 17 GLN O O -4.353 -23.445 -2.429 1.00 . A A . 66 GLN O 1 1 2 369 1 1 17 GLN OE1 O -1.331 -19.483 -3.483 1.00 . A A . 66 GLN OE1 1 1 2 370 1 1 18 GLN C C -7.557 -22.918 -3.046 1.00 . A A . 67 LEU C 1 1 2 371 1 1 18 GLN CA C -6.856 -22.714 -1.705 1.00 . A A . 67 LEU CA 1 1 2 372 1 1 18 GLN CB C -7.761 -22.081 -0.600 1.00 . A A . 67 LEU CB 1 1 2 373 1 1 18 GLN CG C -8.486 -20.777 -1.021 1.00 . A A . 67 LEU CG 1 1 2 374 1 1 18 GLN H H -5.845 -20.796 -1.821 1.00 . A A . 67 LEU H 1 1 2 375 1 1 18 GLN HA H -6.466 -23.670 -1.390 1.00 . A A . 67 LEU HA 1 1 2 376 1 1 18 GLN HB3 H -8.484 -22.820 -0.317 1.00 . A A . 67 LEU HB2 1 1 2 377 1 1 18 GLN N N -5.721 -21.771 -1.924 1.00 . A A . 67 LEU N 1 1 2 378 1 1 18 GLN O O -8.124 -23.952 -3.352 1.00 . A A . 67 LEU O 1 1 2 379 1 1 19 LEU C C -7.255 -22.775 -6.095 1.00 . A A . 68 LEU C 1 1 2 380 1 1 19 LEU CA C -8.126 -21.972 -5.178 1.00 . A A . 68 LEU CA 1 1 2 381 1 1 19 LEU CB C -8.317 -20.547 -5.738 1.00 . A A . 68 LEU CB 1 1 2 382 1 1 19 LEU CD1 C -9.382 -18.276 -5.478 1.00 . A A . 68 LEU CD1 1 1 2 383 1 1 19 LEU CD2 C -10.752 -20.321 -4.983 1.00 . A A . 68 LEU CD2 1 1 2 384 1 1 19 LEU CG C -9.326 -19.710 -4.901 1.00 . A A . 68 LEU CG 1 1 2 385 1 1 19 LEU H H -7.022 -21.093 -3.561 1.00 . A A . 68 LEU H 1 1 2 386 1 1 19 LEU HA H -9.014 -22.569 -5.096 1.00 . A A . 68 LEU HA 1 1 2 387 1 1 19 LEU HB3 H -7.360 -20.053 -5.724 1.00 . A A . 68 LEU HB2 1 1 2 388 1 1 19 LEU HD11 H -9.704 -18.290 -6.511 1.00 . A A . 68 LEU HD11 1 1 2 389 1 1 19 LEU HD12 H -10.077 -17.672 -4.912 1.00 . A A . 68 LEU HD12 1 1 2 390 1 1 19 LEU HD13 H -8.409 -17.808 -5.425 1.00 . A A . 68 LEU HD13 1 1 2 391 1 1 19 LEU HD21 H -11.107 -20.342 -6.003 1.00 . A A . 68 LEU HD21 1 1 2 392 1 1 19 LEU HD22 H -10.755 -21.328 -4.594 1.00 . A A . 68 LEU HD22 1 1 2 393 1 1 19 LEU HD23 H -11.436 -19.730 -4.390 1.00 . A A . 68 LEU HD23 1 1 2 394 1 1 19 LEU HG H -8.998 -19.660 -3.872 1.00 . A A . 68 LEU HG 1 1 2 395 1 1 19 LEU N N -7.489 -21.897 -3.845 1.00 . A A . 68 LEU N 1 1 2 396 1 1 19 LEU O O -7.773 -23.509 -6.908 1.00 . A A . 68 LEU O 1 1 2 397 1 1 20 LEU C C -5.267 -24.881 -6.549 1.00 . A A . 69 PHE C 1 1 2 398 1 1 20 LEU CA C -5.074 -23.432 -6.844 1.00 . A A . 69 PHE CA 1 1 2 399 1 1 20 LEU CB C -3.606 -23.048 -6.574 1.00 . A A . 69 PHE CB 1 1 2 400 1 1 20 LEU CD1 C -2.452 -24.306 -8.431 1.00 . A A . 69 PHE CD1 1 1 2 401 1 1 20 LEU CD2 C -2.033 -24.990 -6.187 1.00 . A A . 69 PHE CD2 1 1 2 402 1 1 20 LEU CG C -2.668 -24.148 -7.082 1.00 . A A . 69 PHE CG 1 1 2 403 1 1 20 LEU H H -5.570 -22.085 -5.273 1.00 . A A . 69 PHE H 1 1 2 404 1 1 20 LEU HA H -5.392 -23.280 -7.868 1.00 . A A . 69 PHE HA 1 1 2 405 1 1 20 LEU HB3 H -3.357 -22.118 -7.066 1.00 . A A . 69 PHE HB2 1 1 2 406 1 1 20 LEU N N -5.968 -22.658 -5.955 1.00 . A A . 69 PHE N 1 1 2 407 1 1 20 LEU O O -5.234 -25.688 -7.454 1.00 . A A . 69 PHE O 1 1 2 408 1 1 21 PHE C C -7.066 -27.036 -5.319 1.00 . A A . 70 ILE C 1 1 2 409 1 1 21 PHE CA C -5.655 -26.616 -5.027 1.00 . A A . 70 ILE CA 1 1 2 410 1 1 21 PHE CB C -5.240 -26.897 -3.561 1.00 . A A . 70 ILE CB 1 1 2 411 1 1 21 PHE CD1 C -7.324 -26.776 -2.216 1.00 . A A . 70 ILE CD1 1 1 2 412 1 1 21 PHE H H -5.540 -24.499 -4.589 1.00 . A A . 70 ILE H 1 1 2 413 1 1 21 PHE HA H -5.013 -27.143 -5.683 1.00 . A A . 70 ILE HA 1 1 2 414 1 1 21 PHE N N -5.481 -25.180 -5.299 1.00 . A A . 70 ILE N 1 1 2 415 1 1 21 PHE O O -7.313 -28.176 -5.664 1.00 . A A . 70 ILE O 1 1 2 416 1 1 22 ILE C C -9.474 -26.765 -6.980 1.00 . A A . 71 HIS C 1 1 2 417 1 1 22 ILE CA C -9.388 -26.508 -5.478 1.00 . A A . 71 HIS CA 1 1 2 418 1 1 22 ILE CB C -10.326 -25.361 -5.045 1.00 . A A . 71 HIS CB 1 1 2 419 1 1 22 ILE H H -7.733 -25.189 -4.919 1.00 . A A . 71 HIS H 1 1 2 420 1 1 22 ILE HA H -9.578 -27.429 -4.964 1.00 . A A . 71 HIS HA 1 1 2 421 1 1 22 ILE HD11 H -12.621 -24.116 -4.147 1.00 . A A . 71 HIS HD1 1 1 2 422 1 1 22 ILE HD12 H -11.863 -27.778 -5.965 1.00 . A A . 71 HIS HD2 1 1 2 423 1 1 22 ILE N N -7.980 -26.108 -5.193 1.00 . A A . 71 HIS N 1 1 2 424 1 1 22 ILE O O -10.115 -27.684 -7.455 1.00 . A A . 71 HIS O 1 1 2 425 1 1 23 HIS C C -7.869 -27.122 -9.672 1.00 . A A . 72 PHE C 1 1 2 426 1 1 23 HIS CA C -8.726 -25.976 -9.163 1.00 . A A . 72 PHE CA 1 1 2 427 1 1 23 HIS CB C -8.167 -24.638 -9.726 1.00 . A A . 72 PHE CB 1 1 2 428 1 1 23 HIS CD2 C -9.551 -23.507 -11.512 1.00 . A A . 72 PHE CD2 1 1 2 429 1 1 23 HIS CE1 C -11.279 -22.429 -9.657 1.00 . A A . 72 PHE CE1 1 1 2 430 1 1 23 HIS CG C -9.347 -23.758 -10.169 1.00 . A A . 72 PHE CG 1 1 2 431 1 1 23 HIS H H -8.296 -25.234 -7.150 1.00 . A A . 72 PHE H 1 1 2 432 1 1 23 HIS HA H -9.728 -26.142 -9.529 1.00 . A A . 72 PHE HA 1 1 2 433 1 1 23 HIS HB3 H -7.602 -24.103 -8.986 1.00 . A A . 72 PHE HB2 1 1 2 434 1 1 23 HIS HD1 H -10.063 -23.406 -8.192 1.00 . A A . 72 PHE HD1 1 1 2 435 1 1 23 HIS HD2 H -8.880 -23.926 -12.249 1.00 . A A . 72 PHE HD2 1 1 2 436 1 1 23 HIS HE1 H -11.956 -22.007 -8.928 1.00 . A A . 72 PHE HE1 1 1 2 437 1 1 23 HIS N N -8.780 -25.911 -7.670 1.00 . A A . 72 PHE N 1 1 2 438 1 1 23 HIS O O -8.300 -27.874 -10.520 1.00 . A A . 72 PHE O 1 1 2 439 1 1 24 PHE C C -6.468 -29.702 -9.562 1.00 . A A . 73 ARG C 1 1 2 440 1 1 24 PHE CA C -5.769 -28.336 -9.594 1.00 . A A . 73 ARG CA 1 1 2 441 1 1 24 PHE CB C -4.512 -28.357 -8.683 1.00 . A A . 73 ARG CB 1 1 2 442 1 1 24 PHE CG C -3.492 -29.450 -9.135 1.00 . A A . 73 ARG CG 1 1 2 443 1 1 24 PHE CZ C -1.682 -27.532 -11.755 1.00 . A A . 73 ARG CZ 1 1 2 444 1 1 24 PHE H H -6.409 -26.592 -8.451 1.00 . A A . 73 ARG H 1 1 2 445 1 1 24 PHE HA H -5.484 -28.129 -10.614 1.00 . A A . 73 ARG HA 1 1 2 446 1 1 24 PHE HB3 H -4.027 -27.393 -8.720 1.00 . A A . 73 ARG HB2 1 1 2 447 1 1 24 PHE HD2 H -2.282 -29.989 -10.858 1.00 . A A . 73 ARG HD2 1 1 2 448 1 1 24 PHE N N -6.683 -27.234 -9.142 1.00 . A A . 73 ARG N 1 1 2 449 1 1 24 PHE O O -6.224 -30.532 -10.416 1.00 . A A . 73 ARG O 1 1 2 450 1 1 25 ARG C C -9.151 -31.309 -9.565 1.00 . A A . 74 ILE C 1 1 2 451 1 1 25 ARG CA C -8.024 -31.234 -8.514 1.00 . A A . 74 ILE CA 1 1 2 452 1 1 25 ARG CB C -8.569 -31.378 -7.064 1.00 . A A . 74 ILE CB 1 1 2 453 1 1 25 ARG H H -7.479 -29.226 -7.903 1.00 . A A . 74 ILE H 1 1 2 454 1 1 25 ARG HA H -7.317 -32.023 -8.735 1.00 . A A . 74 ILE HA 1 1 2 455 1 1 25 ARG N N -7.313 -29.916 -8.587 1.00 . A A . 74 ILE N 1 1 2 456 1 1 25 ARG O O -9.607 -32.374 -9.939 1.00 . A A . 74 ILE O 1 1 2 457 1 1 26 ILE C C -11.394 -28.717 -10.831 1.00 . A A . 75 GLY C 1 1 2 458 1 1 26 ILE CA C -10.643 -30.032 -11.030 1.00 . A A . 75 GLY CA 1 1 2 459 1 1 26 ILE H H -9.133 -29.342 -9.669 1.00 . A A . 75 GLY H 1 1 2 460 1 1 26 ILE N N -9.560 -30.155 -10.011 1.00 . A A . 75 GLY N 1 1 2 461 1 1 26 ILE O O -11.978 -28.167 -11.738 1.00 . A A . 75 GLY O 1 1 2 462 1 1 27 GLY N N -11.427 -28.155 -9.661 1.00 . A A . 76 NH2 N 1 1 3 463 1 1 1 ACE C C 3.256 4.391 7.022 1.00 . A A . 50 ACE C 1 1 3 464 1 1 1 ACE CH3 C 4.511 5.200 7.319 1.00 . A A . 50 ACE CH3 1 1 3 465 1 1 1 ACE O O 2.972 3.417 7.686 1.00 . A A . 50 ACE O 1 1 3 466 1 1 2 TYR C C 3.405 0.129 4.379 1.00 . A A . 51 GLY C 1 1 3 467 1 1 2 TYR CA C 3.189 1.442 3.644 1.00 . A A . 51 GLY CA 1 1 3 468 1 1 2 TYR H H 3.368 2.785 5.340 1.00 . A A . 51 GLY H 1 1 3 469 1 1 2 TYR N N 2.757 2.490 4.629 1.00 . A A . 51 GLY N 1 1 3 470 1 1 2 TYR O O 4.421 -0.519 4.222 1.00 . A A . 51 GLY O 1 1 3 471 1 1 3 GLY C C 1.250 -2.336 5.947 1.00 . A A . 52 ASP C 1 1 3 472 1 1 3 GLY CA C 2.540 -1.509 5.961 1.00 . A A . 52 ASP CA 1 1 3 473 1 1 3 GLY H H 1.660 0.361 5.251 1.00 . A A . 52 ASP H 1 1 3 474 1 1 3 GLY N N 2.437 -0.231 5.177 1.00 . A A . 52 ASP N 1 1 3 475 1 1 3 GLY O O 1.229 -3.480 6.359 1.00 . A A . 52 ASP O 1 1 3 476 1 1 4 ASP C C -1.027 -3.688 4.588 1.00 . A A . 53 THR C 1 1 3 477 1 1 4 ASP CA C -1.130 -2.429 5.370 1.00 . A A . 53 THR CA 1 1 3 478 1 1 4 ASP CB C -2.095 -1.433 4.721 1.00 . A A . 53 THR CB 1 1 3 479 1 1 4 ASP H H 0.221 -0.857 5.063 1.00 . A A . 53 THR H 1 1 3 480 1 1 4 ASP HA H -1.399 -2.741 6.341 1.00 . A A . 53 THR HA 1 1 3 481 1 1 4 ASP N N 0.198 -1.753 5.443 1.00 . A A . 53 THR N 1 1 3 482 1 1 4 ASP O O -1.689 -4.691 4.790 1.00 . A A . 53 THR O 1 1 3 483 1 1 5 THR C C 0.567 -5.923 3.491 1.00 . A A . 54 TRP C 1 1 3 484 1 1 5 THR CA C 0.172 -4.633 2.768 1.00 . A A . 54 TRP CA 1 1 3 485 1 1 5 THR CB C 1.278 -4.164 1.831 1.00 . A A . 54 TRP CB 1 1 3 486 1 1 5 THR H H 0.312 -2.663 3.655 1.00 . A A . 54 TRP H 1 1 3 487 1 1 5 THR HA H -0.769 -4.759 2.280 1.00 . A A . 54 TRP HA 1 1 3 488 1 1 5 THR N N -0.127 -3.535 3.685 1.00 . A A . 54 TRP N 1 1 3 489 1 1 5 THR O O 0.450 -7.001 2.939 1.00 . A A . 54 TRP O 1 1 3 490 1 1 6 TRP C C 0.149 -7.818 5.727 1.00 . A A . 55 ALA C 1 1 3 491 1 1 6 TRP CA C 1.421 -7.000 5.479 1.00 . A A . 55 ALA CA 1 1 3 492 1 1 6 TRP CB C 2.050 -6.570 6.814 1.00 . A A . 55 ALA CB 1 1 3 493 1 1 6 TRP H H 1.099 -4.891 5.114 1.00 . A A . 55 ALA H 1 1 3 494 1 1 6 TRP HA H 2.098 -7.596 4.883 1.00 . A A . 55 ALA HA 1 1 3 495 1 1 6 TRP HB2 H 1.343 -5.999 7.400 1.00 . A A . 55 ALA HB1 1 1 3 496 1 1 6 TRP HB3 H 2.337 -7.445 7.379 1.00 . A A . 55 ALA HB2 1 1 3 497 1 1 6 TRP N N 1.021 -5.784 4.709 1.00 . A A . 55 ALA N 1 1 3 498 1 1 6 TRP O O 0.163 -9.033 5.770 1.00 . A A . 55 ALA O 1 1 3 499 1 1 7 ALA C C -2.611 -8.407 4.791 1.00 . A A . 56 GLY C 1 1 3 500 1 1 7 ALA CA C -2.243 -7.774 6.118 1.00 . A A . 56 GLY CA 1 1 3 501 1 1 7 ALA H H -0.882 -6.130 5.798 1.00 . A A . 56 GLY H 1 1 3 502 1 1 7 ALA N N -0.935 -7.106 5.870 1.00 . A A . 56 GLY N 1 1 3 503 1 1 7 ALA O O -2.952 -9.569 4.714 1.00 . A A . 56 GLY O 1 1 3 504 1 1 8 GLY C C -2.092 -9.379 2.071 1.00 . A A . 57 VAL C 1 1 3 505 1 1 8 GLY CA C -2.840 -8.067 2.395 1.00 . A A . 57 VAL CA 1 1 3 506 1 1 8 GLY H H -2.228 -6.675 3.900 1.00 . A A . 57 VAL H 1 1 3 507 1 1 8 GLY N N -2.517 -7.602 3.767 1.00 . A A . 57 VAL N 1 1 3 508 1 1 8 GLY O O -2.683 -10.341 1.601 1.00 . A A . 57 VAL O 1 1 3 509 1 1 9 VAL C C -0.634 -11.853 2.803 1.00 . A A . 58 GLU C 1 1 3 510 1 1 9 VAL CA C -0.092 -10.679 2.013 1.00 . A A . 58 GLU CA 1 1 3 511 1 1 9 VAL CB C 1.427 -10.579 2.320 1.00 . A A . 58 GLU CB 1 1 3 512 1 1 9 VAL H H -0.335 -8.632 2.709 1.00 . A A . 58 GLU H 1 1 3 513 1 1 9 VAL HA H -0.286 -10.907 0.976 1.00 . A A . 58 GLU HA 1 1 3 514 1 1 9 VAL N N -0.808 -9.407 2.328 1.00 . A A . 58 GLU N 1 1 3 515 1 1 9 VAL O O -0.486 -12.970 2.361 1.00 . A A . 58 GLU O 1 1 3 516 1 1 10 GLU C C -2.944 -13.420 3.950 1.00 . A A . 59 ALA C 1 1 3 517 1 1 10 GLU CA C -1.790 -12.769 4.717 1.00 . A A . 59 ALA CA 1 1 3 518 1 1 10 GLU CB C -2.287 -12.252 6.077 1.00 . A A . 59 ALA CB 1 1 3 519 1 1 10 GLU H H -1.371 -10.681 4.222 1.00 . A A . 59 ALA H 1 1 3 520 1 1 10 GLU HA H -1.014 -13.518 4.838 1.00 . A A . 59 ALA HA 1 1 3 521 1 1 10 GLU HB2 H -1.477 -11.785 6.619 1.00 . A A . 59 ALA HB1 1 1 3 522 1 1 10 GLU HB3 H -3.075 -11.525 5.952 1.00 . A A . 59 ALA HB2 1 1 3 523 1 1 10 GLU N N -1.253 -11.611 3.922 1.00 . A A . 59 ALA N 1 1 3 524 1 1 10 GLU O O -3.307 -14.557 4.170 1.00 . A A . 59 ALA O 1 1 3 525 1 1 11 ALA C C -4.035 -13.838 1.007 1.00 . A A . 60 ILE C 1 1 3 526 1 1 11 ALA CA C -4.614 -13.111 2.219 1.00 . A A . 60 ILE CA 1 1 3 527 1 1 11 ALA CB C -5.437 -11.852 1.804 1.00 . A A . 60 ILE CB 1 1 3 528 1 1 11 ALA H H -3.121 -11.738 2.932 1.00 . A A . 60 ILE H 1 1 3 529 1 1 11 ALA HA H -5.193 -13.832 2.778 1.00 . A A . 60 ILE HA 1 1 3 530 1 1 11 ALA N N -3.478 -12.645 3.055 1.00 . A A . 60 ILE N 1 1 3 531 1 1 11 ALA O O -4.359 -14.981 0.730 1.00 . A A . 60 ILE O 1 1 3 532 1 1 12 ILE C C -1.791 -15.012 -0.426 1.00 . A A . 61 ILE C 1 1 3 533 1 1 12 ILE CA C -2.549 -13.773 -0.888 1.00 . A A . 61 ILE CA 1 1 3 534 1 1 12 ILE CB C -1.655 -12.694 -1.577 1.00 . A A . 61 ILE CB 1 1 3 535 1 1 12 ILE CD1 C 0.656 -13.485 -1.355 1.00 . A A . 61 ILE CD1 1 1 3 536 1 1 12 ILE CG1 C -0.350 -12.461 -0.872 1.00 . A A . 61 ILE CG1 1 1 3 537 1 1 12 ILE CG2 C -2.443 -11.368 -1.744 1.00 . A A . 61 ILE CG2 1 1 3 538 1 1 12 ILE H H -2.898 -12.245 0.576 1.00 . A A . 61 ILE H 1 1 3 539 1 1 12 ILE HA H -3.276 -14.065 -1.601 1.00 . A A . 61 ILE HA 1 1 3 540 1 1 12 ILE HB H -1.419 -13.027 -2.569 1.00 . A A . 61 ILE HB 1 1 3 541 1 1 12 ILE HD11 H 0.774 -13.379 -2.422 1.00 . A A . 61 ILE HD11 1 1 3 542 1 1 12 ILE HD12 H 1.587 -13.297 -0.852 1.00 . A A . 61 ILE HD12 1 1 3 543 1 1 12 ILE HD13 H 0.346 -14.492 -1.143 1.00 . A A . 61 ILE HD13 1 1 3 544 1 1 12 ILE HG13 H 0.021 -11.466 -1.059 1.00 . A A . 61 ILE HG12 1 1 3 545 1 1 12 ILE HG21 H -3.326 -11.534 -2.344 1.00 . A A . 61 ILE HG21 1 1 3 546 1 1 12 ILE HG22 H -2.748 -10.948 -0.799 1.00 . A A . 61 ILE HG22 1 1 3 547 1 1 12 ILE HG23 H -1.831 -10.639 -2.254 1.00 . A A . 61 ILE HG23 1 1 3 548 1 1 12 ILE N N -3.162 -13.152 0.313 1.00 . A A . 61 ILE N 1 1 3 549 1 1 12 ILE O O -1.623 -15.928 -1.199 1.00 . A A . 61 ILE O 1 1 3 550 1 1 13 ILE C C -1.412 -17.453 1.134 1.00 . A A . 62 ARG C 1 1 3 551 1 1 13 ILE CA C -0.605 -16.170 1.383 1.00 . A A . 62 ARG CA 1 1 3 552 1 1 13 ILE CB C -0.402 -15.975 2.923 1.00 . A A . 62 ARG CB 1 1 3 553 1 1 13 ILE H H -1.515 -14.207 1.370 1.00 . A A . 62 ARG H 1 1 3 554 1 1 13 ILE HA H 0.344 -16.253 0.876 1.00 . A A . 62 ARG HA 1 1 3 555 1 1 13 ILE HD12 H 0.003 -18.299 4.494 1.00 . A A . 62 ARG HD2 1 1 3 556 1 1 13 ILE HD13 H 0.342 -18.656 2.805 1.00 . A A . 62 ARG HD3 1 1 3 557 1 1 13 ILE N N -1.356 -15.002 0.811 1.00 . A A . 62 ARG N 1 1 3 558 1 1 13 ILE O O -0.834 -18.499 0.913 1.00 . A A . 62 ARG O 1 1 3 559 1 1 14 ARG C C -4.622 -18.459 -0.191 1.00 . A A . 63 ILE C 1 1 3 560 1 1 14 ARG CA C -3.553 -18.600 0.930 1.00 . A A . 63 ILE CA 1 1 3 561 1 1 14 ARG CB C -4.172 -18.941 2.305 1.00 . A A . 63 ILE CB 1 1 3 562 1 1 14 ARG H H -3.173 -16.508 1.356 1.00 . A A . 63 ILE H 1 1 3 563 1 1 14 ARG HA H -2.924 -19.443 0.702 1.00 . A A . 63 ILE HA 1 1 3 564 1 1 14 ARG N N -2.724 -17.365 1.169 1.00 . A A . 63 ILE N 1 1 3 565 1 1 14 ARG O O -5.316 -19.395 -0.553 1.00 . A A . 63 ILE O 1 1 3 566 1 1 15 ILE C C -5.679 -17.855 -2.945 1.00 . A A . 64 LEU C 1 1 3 567 1 1 15 ILE CA C -5.635 -16.869 -1.798 1.00 . A A . 64 LEU CA 1 1 3 568 1 1 15 ILE CB C -5.205 -15.468 -2.286 1.00 . A A . 64 LEU CB 1 1 3 569 1 1 15 ILE CD1 C -7.512 -14.576 -2.865 1.00 . A A . 64 LEU CD1 1 1 3 570 1 1 15 ILE H H -4.044 -16.625 -0.385 1.00 . A A . 64 LEU H 1 1 3 571 1 1 15 ILE HA H -6.625 -16.824 -1.372 1.00 . A A . 64 LEU HA 1 1 3 572 1 1 15 ILE HD11 H -7.453 -13.834 -2.081 1.00 . A A . 64 LEU HD11 1 1 3 573 1 1 15 ILE HD12 H -8.128 -14.190 -3.663 1.00 . A A . 64 LEU HD12 1 1 3 574 1 1 15 ILE HD13 H -7.993 -15.459 -2.472 1.00 . A A . 64 LEU HD13 1 1 3 575 1 1 15 ILE N N -4.684 -17.272 -0.718 1.00 . A A . 64 LEU N 1 1 3 576 1 1 15 ILE O O -6.564 -18.681 -3.046 1.00 . A A . 64 LEU O 1 1 3 577 1 1 16 LEU C C -4.181 -20.036 -4.503 1.00 . A A . 65 GLN C 1 1 3 578 1 1 16 LEU CA C -4.730 -18.706 -4.939 1.00 . A A . 65 GLN CA 1 1 3 579 1 1 16 LEU CB C -3.904 -18.112 -6.116 1.00 . A A . 65 GLN CB 1 1 3 580 1 1 16 LEU CG C -2.439 -17.731 -5.759 1.00 . A A . 65 GLN CG 1 1 3 581 1 1 16 LEU H H -4.000 -17.108 -3.709 1.00 . A A . 65 GLN H 1 1 3 582 1 1 16 LEU HA H -5.759 -18.882 -5.199 1.00 . A A . 65 GLN HA 1 1 3 583 1 1 16 LEU HB3 H -3.876 -18.849 -6.898 1.00 . A A . 65 GLN HB2 1 1 3 584 1 1 16 LEU N N -4.713 -17.764 -3.809 1.00 . A A . 65 GLN N 1 1 3 585 1 1 16 LEU O O -4.093 -20.947 -5.298 1.00 . A A . 65 GLN O 1 1 3 586 1 1 17 GLN C C -4.461 -22.379 -2.577 1.00 . A A . 66 GLN C 1 1 3 587 1 1 17 GLN CA C -3.290 -21.432 -2.775 1.00 . A A . 66 GLN CA 1 1 3 588 1 1 17 GLN CB C -2.566 -21.257 -1.433 1.00 . A A . 66 GLN CB 1 1 3 589 1 1 17 GLN CD C -1.395 -18.961 -1.776 1.00 . A A . 66 GLN CD 1 1 3 590 1 1 17 GLN CG C -1.221 -20.465 -1.529 1.00 . A A . 66 GLN CG 1 1 3 591 1 1 17 GLN H H -3.943 -19.373 -2.624 1.00 . A A . 66 GLN H 1 1 3 592 1 1 17 GLN HA H -2.640 -21.849 -3.532 1.00 . A A . 66 GLN HA 1 1 3 593 1 1 17 GLN HB3 H -3.244 -20.764 -0.757 1.00 . A A . 66 GLN HB2 1 1 3 594 1 1 17 GLN HE21 H 0.528 -18.535 -1.478 1.00 . A A . 66 GLN HE21 1 1 3 595 1 1 17 GLN HE22 H -0.477 -17.215 -1.838 1.00 . A A . 66 GLN HE22 1 1 3 596 1 1 17 GLN HG3 H -0.682 -20.588 -0.601 1.00 . A A . 66 GLN HG2 1 1 3 597 1 1 17 GLN N N -3.838 -20.139 -3.252 1.00 . A A . 66 GLN N 1 1 3 598 1 1 17 GLN NE2 N -0.358 -18.178 -1.691 1.00 . A A . 66 GLN NE2 1 1 3 599 1 1 17 GLN O O -4.358 -23.560 -2.844 1.00 . A A . 66 GLN O 1 1 3 600 1 1 17 GLN OE1 O -2.467 -18.465 -2.049 1.00 . A A . 66 GLN OE1 1 1 3 601 1 1 18 GLN C C -7.493 -22.829 -3.207 1.00 . A A . 67 LEU C 1 1 3 602 1 1 18 GLN CA C -6.747 -22.679 -1.896 1.00 . A A . 67 LEU CA 1 1 3 603 1 1 18 GLN CB C -7.596 -22.003 -0.770 1.00 . A A . 67 LEU CB 1 1 3 604 1 1 18 GLN CG C -8.285 -20.671 -1.186 1.00 . A A . 67 LEU CG 1 1 3 605 1 1 18 GLN H H -5.597 -20.845 -1.964 1.00 . A A . 67 LEU H 1 1 3 606 1 1 18 GLN HA H -6.418 -23.663 -1.595 1.00 . A A . 67 LEU HA 1 1 3 607 1 1 18 GLN HB3 H -8.340 -22.709 -0.454 1.00 . A A . 67 LEU HB2 1 1 3 608 1 1 18 GLN N N -5.556 -21.819 -2.130 1.00 . A A . 67 LEU N 1 1 3 609 1 1 18 GLN O O -8.179 -23.801 -3.457 1.00 . A A . 67 LEU O 1 1 3 610 1 1 19 LEU C C -7.254 -22.779 -6.296 1.00 . A A . 68 LEU C 1 1 3 611 1 1 19 LEU CA C -8.011 -21.893 -5.354 1.00 . A A . 68 LEU CA 1 1 3 612 1 1 19 LEU CB C -8.095 -20.467 -5.918 1.00 . A A . 68 LEU CB 1 1 3 613 1 1 19 LEU CD1 C -8.874 -18.088 -5.587 1.00 . A A . 68 LEU CD1 1 1 3 614 1 1 19 LEU CD2 C -10.439 -19.963 -5.041 1.00 . A A . 68 LEU CD2 1 1 3 615 1 1 19 LEU CG C -8.951 -19.524 -5.021 1.00 . A A . 68 LEU CG 1 1 3 616 1 1 19 LEU H H -6.766 -21.095 -3.796 1.00 . A A . 68 LEU H 1 1 3 617 1 1 19 LEU HA H -8.949 -22.404 -5.233 1.00 . A A . 68 LEU HA 1 1 3 618 1 1 19 LEU HB3 H -7.088 -20.087 -5.974 1.00 . A A . 68 LEU HB2 1 1 3 619 1 1 19 LEU HD11 H -9.256 -18.050 -6.597 1.00 . A A . 68 LEU HD11 1 1 3 620 1 1 19 LEU HD12 H -9.457 -17.416 -4.974 1.00 . A A . 68 LEU HD12 1 1 3 621 1 1 19 LEU HD13 H -7.853 -17.737 -5.588 1.00 . A A . 68 LEU HD13 1 1 3 622 1 1 19 LEU HD21 H -10.839 -19.931 -6.045 1.00 . A A . 68 LEU HD21 1 1 3 623 1 1 19 LEU HD22 H -10.557 -20.966 -4.662 1.00 . A A . 68 LEU HD22 1 1 3 624 1 1 19 LEU HD23 H -11.021 -19.299 -4.419 1.00 . A A . 68 LEU HD23 1 1 3 625 1 1 19 LEU HG H -8.572 -19.520 -4.007 1.00 . A A . 68 LEU HG 1 1 3 626 1 1 19 LEU N N -7.331 -21.849 -4.042 1.00 . A A . 68 LEU N 1 1 3 627 1 1 19 LEU O O -7.869 -23.481 -7.067 1.00 . A A . 68 LEU O 1 1 3 628 1 1 20 LEU C C -5.430 -25.034 -6.775 1.00 . A A . 69 PHE C 1 1 3 629 1 1 20 LEU CA C -5.165 -23.610 -7.135 1.00 . A A . 69 PHE CA 1 1 3 630 1 1 20 LEU CB C -3.673 -23.256 -6.960 1.00 . A A . 69 PHE CB 1 1 3 631 1 1 20 LEU CD1 C -2.582 -24.901 -8.549 1.00 . A A . 69 PHE CD1 1 1 3 632 1 1 20 LEU CD2 C -2.082 -25.059 -6.226 1.00 . A A . 69 PHE CD2 1 1 3 633 1 1 20 LEU CG C -2.754 -24.442 -7.265 1.00 . A A . 69 PHE CG 1 1 3 634 1 1 20 LEU H H -5.483 -22.209 -5.572 1.00 . A A . 69 PHE H 1 1 3 635 1 1 20 LEU HA H -5.543 -23.480 -8.142 1.00 . A A . 69 PHE HA 1 1 3 636 1 1 20 LEU HB3 H -3.405 -22.429 -7.599 1.00 . A A . 69 PHE HB2 1 1 3 637 1 1 20 LEU N N -5.958 -22.760 -6.224 1.00 . A A . 69 PHE N 1 1 3 638 1 1 20 LEU O O -5.468 -25.873 -7.649 1.00 . A A . 69 PHE O 1 1 3 639 1 1 21 PHE C C -7.323 -27.024 -5.396 1.00 . A A . 70 ILE C 1 1 3 640 1 1 21 PHE CA C -5.873 -26.692 -5.175 1.00 . A A . 70 ILE CA 1 1 3 641 1 1 21 PHE CB C -5.407 -26.934 -3.719 1.00 . A A . 70 ILE CB 1 1 3 642 1 1 21 PHE CD1 C -7.414 -26.660 -2.272 1.00 . A A . 70 ILE CD1 1 1 3 643 1 1 21 PHE H H -5.619 -24.575 -4.817 1.00 . A A . 70 ILE H 1 1 3 644 1 1 21 PHE HA H -5.297 -27.289 -5.831 1.00 . A A . 70 ILE HA 1 1 3 645 1 1 21 PHE N N -5.623 -25.279 -5.508 1.00 . A A . 70 ILE N 1 1 3 646 1 1 21 PHE O O -7.654 -28.152 -5.710 1.00 . A A . 70 ILE O 1 1 3 647 1 1 22 ILE C C -9.782 -26.663 -6.958 1.00 . A A . 71 HIS C 1 1 3 648 1 1 22 ILE CA C -9.614 -26.371 -5.468 1.00 . A A . 71 HIS CA 1 1 3 649 1 1 22 ILE CB C -10.476 -25.170 -5.042 1.00 . A A . 71 HIS CB 1 1 3 650 1 1 22 ILE H H -7.863 -25.136 -5.000 1.00 . A A . 71 HIS H 1 1 3 651 1 1 22 ILE HA H -9.835 -27.265 -4.920 1.00 . A A . 71 HIS HA 1 1 3 652 1 1 22 ILE HD11 H -12.707 -23.786 -4.184 1.00 . A A . 71 HIS HD1 1 1 3 653 1 1 22 ILE HD12 H -12.132 -27.572 -5.796 1.00 . A A . 71 HIS HD2 1 1 3 654 1 1 22 ILE N N -8.173 -26.043 -5.248 1.00 . A A . 71 HIS N 1 1 3 655 1 1 22 ILE O O -10.492 -27.554 -7.384 1.00 . A A . 71 HIS O 1 1 3 656 1 1 23 HIS C C -8.305 -27.167 -9.715 1.00 . A A . 72 PHE C 1 1 3 657 1 1 23 HIS CA C -9.101 -25.979 -9.193 1.00 . A A . 72 PHE CA 1 1 3 658 1 1 23 HIS CB C -8.542 -24.662 -9.813 1.00 . A A . 72 PHE CB 1 1 3 659 1 1 23 HIS CD2 C -10.173 -23.583 -11.436 1.00 . A A . 72 PHE CD2 1 1 3 660 1 1 23 HIS CE1 C -11.527 -22.333 -9.387 1.00 . A A . 72 PHE CE1 1 1 3 661 1 1 23 HIS CG C -9.747 -23.762 -10.130 1.00 . A A . 72 PHE CG 1 1 3 662 1 1 23 HIS H H -8.545 -25.195 -7.222 1.00 . A A . 72 PHE H 1 1 3 663 1 1 23 HIS HA H -10.128 -26.128 -9.497 1.00 . A A . 72 PHE HA 1 1 3 664 1 1 23 HIS HB3 H -7.901 -24.146 -9.121 1.00 . A A . 72 PHE HB2 1 1 3 665 1 1 23 HIS HD1 H -10.108 -23.261 -8.087 1.00 . A A . 72 PHE HD1 1 1 3 666 1 1 23 HIS HD2 H -9.652 -24.068 -12.251 1.00 . A A . 72 PHE HD2 1 1 3 667 1 1 23 HIS HE1 H -12.059 -21.844 -8.583 1.00 . A A . 72 PHE HE1 1 1 3 668 1 1 23 HIS N N -9.079 -25.864 -7.701 1.00 . A A . 72 PHE N 1 1 3 669 1 1 23 HIS O O -8.775 -27.910 -10.552 1.00 . A A . 72 PHE O 1 1 3 670 1 1 24 PHE C C -6.974 -29.823 -9.550 1.00 . A A . 73 ARG C 1 1 3 671 1 1 24 PHE CA C -6.260 -28.470 -9.667 1.00 . A A . 73 ARG CA 1 1 3 672 1 1 24 PHE CB C -4.955 -28.458 -8.832 1.00 . A A . 73 ARG CB 1 1 3 673 1 1 24 PHE CG C -4.058 -29.655 -9.224 1.00 . A A . 73 ARG CG 1 1 3 674 1 1 24 PHE CZ C -2.502 -30.081 -6.401 1.00 . A A . 73 ARG CZ 1 1 3 675 1 1 24 PHE H H -6.795 -26.699 -8.530 1.00 . A A . 73 ARG H 1 1 3 676 1 1 24 PHE HA H -6.014 -28.307 -10.706 1.00 . A A . 73 ARG HA 1 1 3 677 1 1 24 PHE HB3 H -4.423 -27.537 -9.021 1.00 . A A . 73 ARG HB2 1 1 3 678 1 1 24 PHE HD2 H -2.028 -30.329 -8.905 1.00 . A A . 73 ARG HD2 1 1 3 679 1 1 24 PHE N N -7.116 -27.330 -9.209 1.00 . A A . 73 ARG N 1 1 3 680 1 1 24 PHE O O -6.744 -30.704 -10.354 1.00 . A A . 73 ARG O 1 1 3 681 1 1 25 ARG C C -9.738 -31.361 -9.386 1.00 . A A . 74 ILE C 1 1 3 682 1 1 25 ARG CA C -8.550 -31.273 -8.405 1.00 . A A . 74 ILE CA 1 1 3 683 1 1 25 ARG CB C -9.006 -31.351 -6.924 1.00 . A A . 74 ILE CB 1 1 3 684 1 1 25 ARG H H -7.978 -29.239 -7.927 1.00 . A A . 74 ILE H 1 1 3 685 1 1 25 ARG HA H -7.873 -32.084 -8.635 1.00 . A A . 74 ILE HA 1 1 3 686 1 1 25 ARG N N -7.821 -29.971 -8.565 1.00 . A A . 74 ILE N 1 1 3 687 1 1 25 ARG O O -10.337 -32.405 -9.581 1.00 . A A . 74 ILE O 1 1 3 688 1 1 26 ILE C C -12.488 -30.222 -10.215 1.00 . A A . 75 GLY C 1 1 3 689 1 1 26 ILE CA C -11.161 -30.161 -10.961 1.00 . A A . 75 GLY CA 1 1 3 690 1 1 26 ILE H H -9.508 -29.448 -9.779 1.00 . A A . 75 GLY H 1 1 3 691 1 1 26 ILE N N -10.040 -30.245 -9.983 1.00 . A A . 75 GLY N 1 1 3 692 1 1 26 ILE O O -13.233 -29.269 -10.150 1.00 . A A . 75 GLY O 1 1 3 693 1 1 27 GLY N N -12.818 -31.338 -9.640 1.00 . A A . 76 NH2 N 1 1 4 694 1 1 1 ACE C C 4.359 -3.305 -0.961 1.00 . A A . 50 ACE C 1 1 4 695 1 1 1 ACE CH3 C 3.705 -3.242 -2.336 1.00 . A A . 50 ACE CH3 1 1 4 696 1 1 1 ACE O O 3.690 -3.403 0.046 1.00 . A A . 50 ACE O 1 1 4 697 1 1 2 TYR C C 4.795 -0.240 3.333 1.00 . A A . 51 GLY C 1 1 4 698 1 1 2 TYR CA C 4.870 -0.081 1.823 1.00 . A A . 51 GLY CA 1 1 4 699 1 1 2 TYR H H 4.327 -1.933 0.852 1.00 . A A . 51 GLY H 1 1 4 700 1 1 2 TYR N N 5.088 -1.415 1.185 1.00 . A A . 51 GLY N 1 1 4 701 1 1 2 TYR O O 5.290 0.596 4.059 1.00 . A A . 51 GLY O 1 1 4 702 1 1 3 GLY C C 2.630 -2.387 5.468 1.00 . A A . 52 ASP C 1 1 4 703 1 1 3 GLY CA C 3.971 -1.689 5.195 1.00 . A A . 52 ASP CA 1 1 4 704 1 1 3 GLY H H 3.803 -1.925 3.071 1.00 . A A . 52 ASP H 1 1 4 705 1 1 3 GLY N N 4.166 -1.320 3.747 1.00 . A A . 52 ASP N 1 1 4 706 1 1 3 GLY O O 2.580 -3.312 6.251 1.00 . A A . 52 ASP O 1 1 4 707 1 1 4 ASP C C -0.105 -3.769 4.197 1.00 . A A . 53 THR C 1 1 4 708 1 1 4 ASP CA C 0.241 -2.607 5.075 1.00 . A A . 53 THR CA 1 1 4 709 1 1 4 ASP CB C -0.820 -1.465 4.976 1.00 . A A . 53 THR CB 1 1 4 710 1 1 4 ASP H H 1.636 -1.238 4.179 1.00 . A A . 53 THR H 1 1 4 711 1 1 4 ASP HA H 0.284 -3.035 6.038 1.00 . A A . 53 THR HA 1 1 4 712 1 1 4 ASP N N 1.569 -1.967 4.827 1.00 . A A . 53 THR N 1 1 4 713 1 1 4 ASP O O -0.994 -4.554 4.483 1.00 . A A . 53 THR O 1 1 4 714 1 1 5 THR C C 0.662 -6.298 2.811 1.00 . A A . 54 TRP C 1 1 4 715 1 1 5 THR CA C 0.395 -4.945 2.191 1.00 . A A . 54 TRP CA 1 1 4 716 1 1 5 THR CB C 1.278 -4.729 0.980 1.00 . A A . 54 TRP CB 1 1 4 717 1 1 5 THR H H 1.325 -3.163 3.032 1.00 . A A . 54 TRP H 1 1 4 718 1 1 5 THR HA H -0.653 -4.904 1.970 1.00 . A A . 54 TRP HA 1 1 4 719 1 1 5 THR N N 0.637 -3.841 3.147 1.00 . A A . 54 TRP N 1 1 4 720 1 1 5 THR O O 0.140 -7.301 2.363 1.00 . A A . 54 TRP O 1 1 4 721 1 1 6 TRP C C 0.438 -8.236 4.951 1.00 . A A . 55 ALA C 1 1 4 722 1 1 6 TRP CA C 1.774 -7.591 4.516 1.00 . A A . 55 ALA CA 1 1 4 723 1 1 6 TRP CB C 2.667 -7.300 5.728 1.00 . A A . 55 ALA CB 1 1 4 724 1 1 6 TRP H H 1.848 -5.449 4.157 1.00 . A A . 55 ALA H 1 1 4 725 1 1 6 TRP HA H 2.261 -8.249 3.812 1.00 . A A . 55 ALA HA 1 1 4 726 1 1 6 TRP HB2 H 3.584 -6.819 5.418 1.00 . A A . 55 ALA HB1 1 1 4 727 1 1 6 TRP HB3 H 2.158 -6.661 6.435 1.00 . A A . 55 ALA HB2 1 1 4 728 1 1 6 TRP N N 1.463 -6.295 3.841 1.00 . A A . 55 ALA N 1 1 4 729 1 1 6 TRP O O 0.324 -9.440 5.073 1.00 . A A . 55 ALA O 1 1 4 730 1 1 7 ALA C C -2.484 -8.567 4.370 1.00 . A A . 56 GLY C 1 1 4 731 1 1 7 ALA CA C -1.884 -7.878 5.578 1.00 . A A . 56 GLY CA 1 1 4 732 1 1 7 ALA H H -0.393 -6.426 5.010 1.00 . A A . 56 GLY H 1 1 4 733 1 1 7 ALA N N -0.542 -7.387 5.154 1.00 . A A . 56 GLY N 1 1 4 734 1 1 7 ALA O O -2.904 -9.699 4.443 1.00 . A A . 56 GLY O 1 1 4 735 1 1 8 GLY C C -2.398 -9.752 1.718 1.00 . A A . 57 VAL C 1 1 4 736 1 1 8 GLY CA C -3.046 -8.390 1.999 1.00 . A A . 57 VAL CA 1 1 4 737 1 1 8 GLY H H -2.129 -6.952 3.278 1.00 . A A . 57 VAL H 1 1 4 738 1 1 8 GLY N N -2.495 -7.857 3.275 1.00 . A A . 57 VAL N 1 1 4 739 1 1 8 GLY O O -3.044 -10.726 1.368 1.00 . A A . 57 VAL O 1 1 4 740 1 1 9 VAL C C -0.866 -12.169 2.552 1.00 . A A . 58 GLU C 1 1 4 741 1 1 9 VAL CA C -0.367 -11.047 1.650 1.00 . A A . 58 GLU CA 1 1 4 742 1 1 9 VAL CB C 1.136 -10.831 1.910 1.00 . A A . 58 GLU CB 1 1 4 743 1 1 9 VAL H H -0.641 -8.950 2.165 1.00 . A A . 58 GLU H 1 1 4 744 1 1 9 VAL HA H -0.577 -11.365 0.637 1.00 . A A . 58 GLU HA 1 1 4 745 1 1 9 VAL N N -1.108 -9.773 1.888 1.00 . A A . 58 GLU N 1 1 4 746 1 1 9 VAL O O -0.787 -13.321 2.182 1.00 . A A . 58 GLU O 1 1 4 747 1 1 10 GLU C C -3.135 -13.546 4.008 1.00 . A A . 59 ALA C 1 1 4 748 1 1 10 GLU CA C -1.871 -12.928 4.600 1.00 . A A . 59 ALA CA 1 1 4 749 1 1 10 GLU CB C -2.169 -12.337 5.991 1.00 . A A . 59 ALA CB 1 1 4 750 1 1 10 GLU H H -1.458 -10.884 3.938 1.00 . A A . 59 ALA H 1 1 4 751 1 1 10 GLU HA H -1.118 -13.704 4.639 1.00 . A A . 59 ALA HA 1 1 4 752 1 1 10 GLU HB2 H -1.277 -11.900 6.414 1.00 . A A . 59 ALA HB1 1 1 4 753 1 1 10 GLU HB3 H -2.931 -11.574 5.926 1.00 . A A . 59 ALA HB2 1 1 4 754 1 1 10 GLU N N -1.383 -11.835 3.697 1.00 . A A . 59 ALA N 1 1 4 755 1 1 10 GLU O O -3.565 -14.619 4.383 1.00 . A A . 59 ALA O 1 1 4 756 1 1 11 ALA C C -4.486 -14.087 1.194 1.00 . A A . 60 ILE C 1 1 4 757 1 1 11 ALA CA C -4.923 -13.276 2.396 1.00 . A A . 60 ILE CA 1 1 4 758 1 1 11 ALA CB C -5.731 -12.022 1.973 1.00 . A A . 60 ILE CB 1 1 4 759 1 1 11 ALA H H -3.279 -11.976 2.818 1.00 . A A . 60 ILE H 1 1 4 760 1 1 11 ALA HA H -5.479 -13.931 3.056 1.00 . A A . 60 ILE HA 1 1 4 761 1 1 11 ALA N N -3.688 -12.828 3.077 1.00 . A A . 60 ILE N 1 1 4 762 1 1 11 ALA O O -4.851 -15.234 1.076 1.00 . A A . 60 ILE O 1 1 4 763 1 1 12 ILE C C -2.570 -15.534 -0.420 1.00 . A A . 61 ILE C 1 1 4 764 1 1 12 ILE CA C -3.251 -14.244 -0.873 1.00 . A A . 61 ILE CA 1 1 4 765 1 1 12 ILE CB C -2.338 -13.264 -1.685 1.00 . A A . 61 ILE CB 1 1 4 766 1 1 12 ILE CD1 C -0.083 -14.180 -1.532 1.00 . A A . 61 ILE CD1 1 1 4 767 1 1 12 ILE CG1 C -0.997 -13.070 -1.052 1.00 . A A . 61 ILE CG1 1 1 4 768 1 1 12 ILE CG2 C -3.034 -11.890 -1.885 1.00 . A A . 61 ILE CG2 1 1 4 769 1 1 12 ILE H H -3.408 -12.568 0.478 1.00 . A A . 61 ILE H 1 1 4 770 1 1 12 ILE HA H -4.077 -14.540 -1.470 1.00 . A A . 61 ILE HA 1 1 4 771 1 1 12 ILE HB H -2.154 -13.655 -2.661 1.00 . A A . 61 ILE HB 1 1 4 772 1 1 12 ILE HD11 H -0.458 -15.155 -1.271 1.00 . A A . 61 ILE HD11 1 1 4 773 1 1 12 ILE HD12 H -0.002 -14.116 -2.606 1.00 . A A . 61 ILE HD12 1 1 4 774 1 1 12 ILE HD13 H 0.878 -14.042 -1.073 1.00 . A A . 61 ILE HD13 1 1 4 775 1 1 12 ILE HG13 H -0.579 -12.111 -1.317 1.00 . A A . 61 ILE HG12 1 1 4 776 1 1 12 ILE HG21 H -3.968 -12.016 -2.414 1.00 . A A . 61 ILE HG21 1 1 4 777 1 1 12 ILE HG22 H -3.236 -11.389 -0.952 1.00 . A A . 61 ILE HG22 1 1 4 778 1 1 12 ILE HG23 H -2.402 -11.249 -2.482 1.00 . A A . 61 ILE HG23 1 1 4 779 1 1 12 ILE N N -3.705 -13.494 0.332 1.00 . A A . 61 ILE N 1 1 4 780 1 1 12 ILE O O -2.665 -16.549 -1.082 1.00 . A A . 61 ILE O 1 1 4 781 1 1 13 ILE C C -2.098 -17.854 1.406 1.00 . A A . 62 ARG C 1 1 4 782 1 1 13 ILE CA C -1.197 -16.623 1.284 1.00 . A A . 62 ARG CA 1 1 4 783 1 1 13 ILE CB C -0.677 -16.219 2.665 1.00 . A A . 62 ARG CB 1 1 4 784 1 1 13 ILE H H -1.863 -14.589 1.196 1.00 . A A . 62 ARG H 1 1 4 785 1 1 13 ILE HA H -0.379 -16.879 0.628 1.00 . A A . 62 ARG HA 1 1 4 786 1 1 13 ILE HD12 H 1.582 -17.503 1.884 1.00 . A A . 62 ARG HD2 1 1 4 787 1 1 13 ILE HD13 H 2.764 -16.381 2.572 1.00 . A A . 62 ARG HD3 1 1 4 788 1 1 13 ILE N N -1.908 -15.446 0.706 1.00 . A A . 62 ARG N 1 1 4 789 1 1 13 ILE O O -1.596 -18.962 1.414 1.00 . A A . 62 ARG O 1 1 4 790 1 1 14 ARG C C -5.523 -18.711 0.579 1.00 . A A . 63 ILE C 1 1 4 791 1 1 14 ARG CA C -4.372 -18.738 1.626 1.00 . A A . 63 ILE CA 1 1 4 792 1 1 14 ARG CB C -4.892 -18.658 3.078 1.00 . A A . 63 ILE CB 1 1 4 793 1 1 14 ARG H H -3.707 -16.690 1.490 1.00 . A A . 63 ILE H 1 1 4 794 1 1 14 ARG HA H -3.866 -19.689 1.582 1.00 . A A . 63 ILE HA 1 1 4 795 1 1 14 ARG N N -3.384 -17.619 1.499 1.00 . A A . 63 ILE N 1 1 4 796 1 1 14 ARG O O -5.990 -19.733 0.111 1.00 . A A . 63 ILE O 1 1 4 797 1 1 15 ILE C C -6.805 -17.984 -1.992 1.00 . A A . 64 LEU C 1 1 4 798 1 1 15 ILE CA C -7.001 -17.187 -0.722 1.00 . A A . 64 LEU CA 1 1 4 799 1 1 15 ILE CB C -6.929 -15.652 -0.951 1.00 . A A . 64 LEU CB 1 1 4 800 1 1 15 ILE CD1 C -9.372 -15.173 -1.435 1.00 . A A . 64 LEU CD1 1 1 4 801 1 1 15 ILE H H -5.440 -16.773 0.654 1.00 . A A . 64 LEU H 1 1 4 802 1 1 15 ILE HA H -7.951 -17.465 -0.290 1.00 . A A . 64 LEU HA 1 1 4 803 1 1 15 ILE HD11 H -9.646 -16.182 -1.163 1.00 . A A . 64 LEU HD11 1 1 4 804 1 1 15 ILE HD12 H -9.453 -14.545 -0.559 1.00 . A A . 64 LEU HD12 1 1 4 805 1 1 15 ILE HD13 H -10.076 -14.822 -2.177 1.00 . A A . 64 LEU HD13 1 1 4 806 1 1 15 ILE N N -5.913 -17.513 0.246 1.00 . A A . 64 LEU N 1 1 4 807 1 1 15 ILE O O -7.411 -19.018 -2.194 1.00 . A A . 64 LEU O 1 1 4 808 1 1 16 LEU C C -4.933 -19.518 -3.780 1.00 . A A . 65 GLN C 1 1 4 809 1 1 16 LEU CA C -5.753 -18.283 -4.082 1.00 . A A . 65 GLN CA 1 1 4 810 1 1 16 LEU CB C -5.044 -17.419 -5.126 1.00 . A A . 65 GLN CB 1 1 4 811 1 1 16 LEU CG C -3.651 -16.960 -4.627 1.00 . A A . 65 GLN CG 1 1 4 812 1 1 16 LEU H H -5.446 -16.680 -2.684 1.00 . A A . 65 GLN H 1 1 4 813 1 1 16 LEU HA H -6.718 -18.630 -4.399 1.00 . A A . 65 GLN HA 1 1 4 814 1 1 16 LEU HB3 H -4.918 -18.004 -6.022 1.00 . A A . 65 GLN HB2 1 1 4 815 1 1 16 LEU N N -5.945 -17.504 -2.843 1.00 . A A . 65 GLN N 1 1 4 816 1 1 16 LEU O O -4.679 -20.307 -4.663 1.00 . A A . 65 GLN O 1 1 4 817 1 1 17 GLN C C -4.693 -22.073 -2.162 1.00 . A A . 66 GLN C 1 1 4 818 1 1 17 GLN CA C -3.737 -20.873 -2.201 1.00 . A A . 66 GLN CA 1 1 4 819 1 1 17 GLN CB C -3.097 -20.658 -0.820 1.00 . A A . 66 GLN CB 1 1 4 820 1 1 17 GLN CD C -0.676 -20.904 -1.392 1.00 . A A . 66 GLN CD 1 1 4 821 1 1 17 GLN CG C -1.846 -21.539 -0.639 1.00 . A A . 66 GLN CG 1 1 4 822 1 1 17 GLN H H -4.796 -19.015 -1.870 1.00 . A A . 66 GLN H 1 1 4 823 1 1 17 GLN HA H -3.007 -21.046 -2.981 1.00 . A A . 66 GLN HA 1 1 4 824 1 1 17 GLN HB3 H -2.834 -19.617 -0.687 1.00 . A A . 66 GLN HB2 1 1 4 825 1 1 17 GLN HE21 H -0.399 -19.546 0.019 1.00 . A A . 66 GLN HE21 1 1 4 826 1 1 17 GLN HE22 H 0.683 -19.463 -1.295 1.00 . A A . 66 GLN HE22 1 1 4 827 1 1 17 GLN HG3 H -1.588 -21.617 0.407 1.00 . A A . 66 GLN HG2 1 1 4 828 1 1 17 GLN N N -4.547 -19.676 -2.549 1.00 . A A . 66 GLN N 1 1 4 829 1 1 17 GLN NE2 N -0.077 -19.885 -0.846 1.00 . A A . 66 GLN NE2 1 1 4 830 1 1 17 GLN O O -4.336 -23.168 -2.553 1.00 . A A . 66 GLN O 1 1 4 831 1 1 17 GLN OE1 O -0.302 -21.321 -2.468 1.00 . A A . 66 GLN OE1 1 1 4 832 1 1 18 GLN C C -7.583 -23.059 -2.969 1.00 . A A . 67 LEU C 1 1 4 833 1 1 18 GLN CA C -6.876 -22.950 -1.631 1.00 . A A . 67 LEU CA 1 1 4 834 1 1 18 GLN CB C -7.842 -22.659 -0.429 1.00 . A A . 67 LEU CB 1 1 4 835 1 1 18 GLN CG C -8.722 -21.379 -0.500 1.00 . A A . 67 LEU CG 1 1 4 836 1 1 18 GLN H H -6.166 -20.918 -1.439 1.00 . A A . 67 LEU H 1 1 4 837 1 1 18 GLN HA H -6.348 -23.870 -1.439 1.00 . A A . 67 LEU HA 1 1 4 838 1 1 18 GLN HB3 H -8.484 -23.513 -0.337 1.00 . A A . 67 LEU HB2 1 1 4 839 1 1 18 GLN N N -5.898 -21.829 -1.708 1.00 . A A . 67 LEU N 1 1 4 840 1 1 18 GLN O O -8.061 -24.102 -3.378 1.00 . A A . 67 LEU O 1 1 4 841 1 1 19 LEU C C -7.355 -22.558 -5.969 1.00 . A A . 68 LEU C 1 1 4 842 1 1 19 LEU CA C -8.280 -21.940 -4.964 1.00 . A A . 68 LEU CA 1 1 4 843 1 1 19 LEU CB C -8.593 -20.504 -5.397 1.00 . A A . 68 LEU CB 1 1 4 844 1 1 19 LEU CD1 C -9.787 -18.338 -4.928 1.00 . A A . 68 LEU CD1 1 1 4 845 1 1 19 LEU CD2 C -10.987 -20.499 -4.555 1.00 . A A . 68 LEU CD2 1 1 4 846 1 1 19 LEU CG C -9.605 -19.801 -4.459 1.00 . A A . 68 LEU CG 1 1 4 847 1 1 19 LEU H H -7.228 -21.137 -3.277 1.00 . A A . 68 LEU H 1 1 4 848 1 1 19 LEU HA H -9.122 -22.604 -4.931 1.00 . A A . 68 LEU HA 1 1 4 849 1 1 19 LEU HB3 H -7.665 -19.958 -5.422 1.00 . A A . 68 LEU HB2 1 1 4 850 1 1 19 LEU HD11 H -8.847 -17.805 -4.893 1.00 . A A . 68 LEU HD11 1 1 4 851 1 1 19 LEU HD12 H -10.169 -18.304 -5.939 1.00 . A A . 68 LEU HD12 1 1 4 852 1 1 19 LEU HD13 H -10.484 -17.826 -4.278 1.00 . A A . 68 LEU HD13 1 1 4 853 1 1 19 LEU HD21 H -10.921 -21.539 -4.271 1.00 . A A . 68 LEU HD21 1 1 4 854 1 1 19 LEU HD22 H -11.687 -20.014 -3.891 1.00 . A A . 68 LEU HD22 1 1 4 855 1 1 19 LEU HD23 H -11.374 -20.443 -5.563 1.00 . A A . 68 LEU HD23 1 1 4 856 1 1 19 LEU HG H -9.246 -19.805 -3.439 1.00 . A A . 68 LEU HG 1 1 4 857 1 1 19 LEU N N -7.622 -21.949 -3.644 1.00 . A A . 68 LEU N 1 1 4 858 1 1 19 LEU O O -7.809 -23.265 -6.840 1.00 . A A . 68 LEU O 1 1 4 859 1 1 20 LEU C C -5.164 -24.372 -6.671 1.00 . A A . 69 PHE C 1 1 4 860 1 1 20 LEU CA C -5.136 -22.889 -6.804 1.00 . A A . 69 PHE CA 1 1 4 861 1 1 20 LEU CB C -3.719 -22.324 -6.503 1.00 . A A . 69 PHE CB 1 1 4 862 1 1 20 LEU CD1 C -2.420 -23.540 -8.301 1.00 . A A . 69 PHE CD1 1 1 4 863 1 1 20 LEU CD2 C -1.832 -23.942 -6.028 1.00 . A A . 69 PHE CD2 1 1 4 864 1 1 20 LEU CG C -2.624 -23.296 -6.961 1.00 . A A . 69 PHE CG 1 1 4 865 1 1 20 LEU H H -5.734 -21.776 -5.100 1.00 . A A . 69 PHE H 1 1 4 866 1 1 20 LEU HA H -5.512 -22.677 -7.802 1.00 . A A . 69 PHE HA 1 1 4 867 1 1 20 LEU HB3 H -3.583 -21.382 -7.014 1.00 . A A . 69 PHE HB2 1 1 4 868 1 1 20 LEU N N -6.087 -22.314 -5.834 1.00 . A A . 69 PHE N 1 1 4 869 1 1 20 LEU O O -5.028 -25.059 -7.658 1.00 . A A . 69 PHE O 1 1 4 870 1 1 21 PHE C C -6.750 -26.821 -5.650 1.00 . A A . 70 ILE C 1 1 4 871 1 1 21 PHE CA C -5.370 -26.302 -5.349 1.00 . A A . 70 ILE CA 1 1 4 872 1 1 21 PHE CB C -4.865 -26.671 -3.932 1.00 . A A . 70 ILE CB 1 1 4 873 1 1 21 PHE CD1 C -6.862 -26.963 -2.484 1.00 . A A . 70 ILE CD1 1 1 4 874 1 1 21 PHE H H -5.491 -24.247 -4.702 1.00 . A A . 70 ILE H 1 1 4 875 1 1 21 PHE HA H -4.703 -26.685 -6.068 1.00 . A A . 70 ILE HA 1 1 4 876 1 1 21 PHE N N -5.354 -24.838 -5.472 1.00 . A A . 70 ILE N 1 1 4 877 1 1 21 PHE O O -6.908 -27.927 -6.132 1.00 . A A . 70 ILE O 1 1 4 878 1 1 22 ILE C C -9.200 -26.639 -7.182 1.00 . A A . 71 HIS C 1 1 4 879 1 1 22 ILE CA C -9.106 -26.494 -5.667 1.00 . A A . 71 HIS CA 1 1 4 880 1 1 22 ILE CB C -10.131 -25.475 -5.154 1.00 . A A . 71 HIS CB 1 1 4 881 1 1 22 ILE H H -7.573 -25.107 -4.998 1.00 . A A . 71 HIS H 1 1 4 882 1 1 22 ILE HA H -9.204 -27.466 -5.227 1.00 . A A . 71 HIS HA 1 1 4 883 1 1 22 ILE HD11 H -11.961 -26.412 -3.251 1.00 . A A . 71 HIS HD1 1 1 4 884 1 1 22 ILE HD12 H -11.864 -26.174 -7.394 1.00 . A A . 71 HIS HD2 1 1 4 885 1 1 22 ILE N N -7.734 -26.005 -5.376 1.00 . A A . 71 HIS N 1 1 4 886 1 1 22 ILE O O -9.743 -27.583 -7.719 1.00 . A A . 71 HIS O 1 1 4 887 1 1 23 HIS C C -7.611 -26.563 -9.921 1.00 . A A . 72 PHE C 1 1 4 888 1 1 23 HIS CA C -8.603 -25.589 -9.302 1.00 . A A . 72 PHE CA 1 1 4 889 1 1 23 HIS CB C -8.255 -24.138 -9.728 1.00 . A A . 72 PHE CB 1 1 4 890 1 1 23 HIS CD2 C -10.148 -23.355 -11.220 1.00 . A A . 72 PHE CD2 1 1 4 891 1 1 23 HIS CE1 C -11.416 -22.093 -9.124 1.00 . A A . 72 PHE CE1 1 1 4 892 1 1 23 HIS CG C -9.578 -23.389 -9.959 1.00 . A A . 72 PHE CG 1 1 4 893 1 1 23 HIS H H -8.229 -24.966 -7.240 1.00 . A A . 72 PHE H 1 1 4 894 1 1 23 HIS HA H -9.582 -25.863 -9.667 1.00 . A A . 72 PHE HA 1 1 4 895 1 1 23 HIS HB3 H -7.712 -23.635 -8.952 1.00 . A A . 72 PHE HB2 1 1 4 896 1 1 23 HIS HD1 H -9.788 -22.772 -7.927 1.00 . A A . 72 PHE HD1 1 1 4 897 1 1 23 HIS HD2 H -9.657 -23.849 -12.049 1.00 . A A . 72 PHE HD2 1 1 4 898 1 1 23 HIS HE1 H -11.910 -21.599 -8.299 1.00 . A A . 72 PHE HE1 1 1 4 899 1 1 23 HIS N N -8.634 -25.656 -7.809 1.00 . A A . 72 PHE N 1 1 4 900 1 1 23 HIS O O -7.940 -27.278 -10.844 1.00 . A A . 72 PHE O 1 1 4 901 1 1 24 PHE C C -5.848 -28.941 -9.861 1.00 . A A . 73 ARG C 1 1 4 902 1 1 24 PHE CA C -5.374 -27.487 -9.945 1.00 . A A . 73 ARG CA 1 1 4 903 1 1 24 PHE CB C -4.060 -27.320 -9.141 1.00 . A A . 73 ARG CB 1 1 4 904 1 1 24 PHE CG C -2.930 -28.169 -9.767 1.00 . A A . 73 ARG CG 1 1 4 905 1 1 24 PHE CZ C -1.974 -28.914 -13.044 1.00 . A A . 73 ARG CZ 1 1 4 906 1 1 24 PHE H H -6.216 -25.961 -8.653 1.00 . A A . 73 ARG H 1 1 4 907 1 1 24 PHE HA H -5.227 -27.241 -10.984 1.00 . A A . 73 ARG HA 1 1 4 908 1 1 24 PHE HB3 H -3.756 -26.285 -9.160 1.00 . A A . 73 ARG HB2 1 1 4 909 1 1 24 PHE HD2 H -3.319 -27.274 -11.732 1.00 . A A . 73 ARG HD2 1 1 4 910 1 1 24 PHE N N -6.417 -26.565 -9.398 1.00 . A A . 73 ARG N 1 1 4 911 1 1 24 PHE O O -5.588 -29.720 -10.760 1.00 . A A . 73 ARG O 1 1 4 912 1 1 25 ARG C C -8.424 -30.802 -9.237 1.00 . A A . 74 ILE C 1 1 4 913 1 1 25 ARG CA C -7.023 -30.660 -8.615 1.00 . A A . 74 ILE CA 1 1 4 914 1 1 25 ARG CB C -7.034 -30.961 -7.096 1.00 . A A . 74 ILE CB 1 1 4 915 1 1 25 ARG H H -6.691 -28.617 -8.074 1.00 . A A . 74 ILE H 1 1 4 916 1 1 25 ARG HA H -6.357 -31.339 -9.130 1.00 . A A . 74 ILE HA 1 1 4 917 1 1 25 ARG N N -6.518 -29.269 -8.786 1.00 . A A . 74 ILE N 1 1 4 918 1 1 25 ARG O O -8.648 -31.678 -10.050 1.00 . A A . 74 ILE O 1 1 4 919 1 1 26 ILE C C -11.512 -31.213 -8.874 1.00 . A A . 75 GLY C 1 1 4 920 1 1 26 ILE CA C -10.729 -30.000 -9.386 1.00 . A A . 75 GLY CA 1 1 4 921 1 1 26 ILE H H -9.104 -29.261 -8.187 1.00 . A A . 75 GLY H 1 1 4 922 1 1 26 ILE N N -9.333 -29.949 -8.845 1.00 . A A . 75 GLY N 1 1 4 923 1 1 26 ILE O O -12.565 -31.100 -8.284 1.00 . A A . 75 GLY O 1 1 4 924 1 1 27 GLY N N -11.052 -32.408 -9.074 1.00 . A A . 76 NH2 N 1 1 5 925 1 1 1 ACE C C 1.389 3.395 5.041 1.00 . A A . 50 ACE C 1 1 5 926 1 1 1 ACE CH3 C 1.660 3.920 6.448 1.00 . A A . 50 ACE CH3 1 1 5 927 1 1 1 ACE O O 2.070 3.784 4.115 1.00 . A A . 50 ACE O 1 1 5 928 1 1 2 TYR C C 3.694 -0.382 2.706 1.00 . A A . 51 GLY C 1 1 5 929 1 1 2 TYR CA C 3.263 0.918 2.007 1.00 . A A . 51 GLY CA 1 1 5 930 1 1 2 TYR H H 2.024 2.551 2.823 1.00 . A A . 51 GLY H 1 1 5 931 1 1 2 TYR N N 2.081 1.595 2.642 1.00 . A A . 51 GLY N 1 1 5 932 1 1 2 TYR O O 4.397 -1.184 2.127 1.00 . A A . 51 GLY O 1 1 5 933 1 1 3 GLY C C 2.347 -2.585 5.075 1.00 . A A . 52 ASP C 1 1 5 934 1 1 3 GLY CA C 3.605 -1.774 4.731 1.00 . A A . 52 ASP CA 1 1 5 935 1 1 3 GLY H H 2.699 0.148 4.321 1.00 . A A . 52 ASP H 1 1 5 936 1 1 3 GLY N N 3.261 -0.551 3.926 1.00 . A A . 52 ASP N 1 1 5 937 1 1 3 GLY O O 2.420 -3.737 5.458 1.00 . A A . 52 ASP O 1 1 5 938 1 1 4 ASP C C -0.287 -3.817 4.352 1.00 . A A . 53 THR C 1 1 5 939 1 1 4 ASP CA C -0.097 -2.609 5.214 1.00 . A A . 53 THR CA 1 1 5 940 1 1 4 ASP CB C -1.179 -1.532 4.980 1.00 . A A . 53 THR CB 1 1 5 941 1 1 4 ASP H H 1.153 -1.059 4.567 1.00 . A A . 53 THR H 1 1 5 942 1 1 4 ASP HA H -0.050 -2.990 6.198 1.00 . A A . 53 THR HA 1 1 5 943 1 1 4 ASP N N 1.209 -1.968 4.912 1.00 . A A . 53 THR N 1 1 5 944 1 1 4 ASP O O -1.048 -4.726 4.630 1.00 . A A . 53 THR O 1 1 5 945 1 1 5 THR C C 0.824 -6.183 2.984 1.00 . A A . 54 TRP C 1 1 5 946 1 1 5 THR CA C 0.420 -4.857 2.339 1.00 . A A . 54 TRP CA 1 1 5 947 1 1 5 THR CB C 1.342 -4.494 1.170 1.00 . A A . 54 TRP CB 1 1 5 948 1 1 5 THR H H 1.039 -2.976 3.204 1.00 . A A . 54 TRP H 1 1 5 949 1 1 5 THR HA H -0.615 -4.887 2.076 1.00 . A A . 54 TRP HA 1 1 5 950 1 1 5 THR N N 0.467 -3.760 3.307 1.00 . A A . 54 TRP N 1 1 5 951 1 1 5 THR O O 0.478 -7.240 2.490 1.00 . A A . 54 TRP O 1 1 5 952 1 1 6 TRP C C 0.697 -8.106 5.220 1.00 . A A . 55 ALA C 1 1 5 953 1 1 6 TRP CA C 1.963 -7.361 4.761 1.00 . A A . 55 ALA CA 1 1 5 954 1 1 6 TRP CB C 2.839 -6.999 5.966 1.00 . A A . 55 ALA CB 1 1 5 955 1 1 6 TRP H H 1.799 -5.218 4.434 1.00 . A A . 55 ALA H 1 1 5 956 1 1 6 TRP HA H 2.486 -7.989 4.052 1.00 . A A . 55 ALA HA 1 1 5 957 1 1 6 TRP HB2 H 3.717 -6.456 5.649 1.00 . A A . 55 ALA HB1 1 1 5 958 1 1 6 TRP HB3 H 2.285 -6.389 6.665 1.00 . A A . 55 ALA HB2 1 1 5 959 1 1 6 TRP N N 1.542 -6.098 4.075 1.00 . A A . 55 ALA N 1 1 5 960 1 1 6 TRP O O 0.664 -9.317 5.330 1.00 . A A . 55 ALA O 1 1 5 961 1 1 7 ALA C C -2.202 -8.562 4.681 1.00 . A A . 56 GLY C 1 1 5 962 1 1 7 ALA CA C -1.618 -7.918 5.918 1.00 . A A . 56 GLY CA 1 1 5 963 1 1 7 ALA H H -0.251 -6.365 5.339 1.00 . A A . 56 GLY H 1 1 5 964 1 1 7 ALA N N -0.328 -7.333 5.466 1.00 . A A . 56 GLY N 1 1 5 965 1 1 7 ALA O O -2.581 -9.714 4.699 1.00 . A A . 56 GLY O 1 1 5 966 1 1 8 GLY C C -2.148 -9.662 1.989 1.00 . A A . 57 VAL C 1 1 5 967 1 1 8 GLY CA C -2.797 -8.309 2.338 1.00 . A A . 57 VAL CA 1 1 5 968 1 1 8 GLY H H -1.912 -6.879 3.660 1.00 . A A . 57 VAL H 1 1 5 969 1 1 8 GLY N N -2.246 -7.799 3.623 1.00 . A A . 57 VAL N 1 1 5 970 1 1 8 GLY O O -2.813 -10.623 1.638 1.00 . A A . 57 VAL O 1 1 5 971 1 1 9 VAL C C -0.588 -12.121 2.635 1.00 . A A . 58 GLU C 1 1 5 972 1 1 9 VAL CA C -0.095 -10.947 1.798 1.00 . A A . 58 GLU CA 1 1 5 973 1 1 9 VAL CB C 1.402 -10.708 2.085 1.00 . A A . 58 GLU CB 1 1 5 974 1 1 9 VAL H H -0.368 -8.883 2.392 1.00 . A A . 58 GLU H 1 1 5 975 1 1 9 VAL HA H -0.301 -11.219 0.768 1.00 . A A . 58 GLU HA 1 1 5 976 1 1 9 VAL N N -0.850 -9.693 2.103 1.00 . A A . 58 GLU N 1 1 5 977 1 1 9 VAL O O -0.506 -13.257 2.215 1.00 . A A . 58 GLU O 1 1 5 978 1 1 10 GLU C C -2.909 -13.513 4.109 1.00 . A A . 59 ALA C 1 1 5 979 1 1 10 GLU CA C -1.596 -12.959 4.653 1.00 . A A . 59 ALA CA 1 1 5 980 1 1 10 GLU CB C -1.789 -12.428 6.078 1.00 . A A . 59 ALA CB 1 1 5 981 1 1 10 GLU H H -1.183 -10.896 4.071 1.00 . A A . 59 ALA H 1 1 5 982 1 1 10 GLU HA H -0.870 -13.760 4.619 1.00 . A A . 59 ALA HA 1 1 5 983 1 1 10 GLU HB2 H -0.854 -12.046 6.464 1.00 . A A . 59 ALA HB1 1 1 5 984 1 1 10 GLU HB3 H -2.510 -11.623 6.082 1.00 . A A . 59 ALA HB2 1 1 5 985 1 1 10 GLU N N -1.108 -11.837 3.792 1.00 . A A . 59 ALA N 1 1 5 986 1 1 10 GLU O O -3.317 -14.613 4.421 1.00 . A A . 59 ALA O 1 1 5 987 1 1 11 ALA C C -4.515 -13.863 1.395 1.00 . A A . 60 ILE C 1 1 5 988 1 1 11 ALA CA C -4.826 -13.109 2.682 1.00 . A A . 60 ILE CA 1 1 5 989 1 1 11 ALA CB C -5.641 -11.806 2.409 1.00 . A A . 60 ILE CB 1 1 5 990 1 1 11 ALA H H -3.130 -11.844 3.079 1.00 . A A . 60 ILE H 1 1 5 991 1 1 11 ALA HA H -5.336 -13.796 3.344 1.00 . A A . 60 ILE HA 1 1 5 992 1 1 11 ALA N N -3.529 -12.715 3.294 1.00 . A A . 60 ILE N 1 1 5 993 1 1 11 ALA O O -4.962 -14.980 1.196 1.00 . A A . 60 ILE O 1 1 5 994 1 1 12 ILE C C -2.714 -15.211 -0.423 1.00 . A A . 61 ILE C 1 1 5 995 1 1 12 ILE CA C -3.371 -13.863 -0.732 1.00 . A A . 61 ILE CA 1 1 5 996 1 1 12 ILE CB C -2.456 -12.843 -1.502 1.00 . A A . 61 ILE CB 1 1 5 997 1 1 12 ILE CD1 C -0.254 -13.888 -1.585 1.00 . A A . 61 ILE CD1 1 1 5 998 1 1 12 ILE CG1 C -1.070 -12.767 -0.946 1.00 . A A . 61 ILE CG1 1 1 5 999 1 1 12 ILE CG2 C -3.117 -11.440 -1.563 1.00 . A A . 61 ILE CG2 1 1 5 1000 1 1 12 ILE H H -3.373 -12.342 0.778 1.00 . A A . 61 ILE H 1 1 5 1001 1 1 12 ILE HA H -4.233 -14.033 -1.327 1.00 . A A . 61 ILE HA 1 1 5 1002 1 1 12 ILE HB H -2.332 -13.138 -2.521 1.00 . A A . 61 ILE HB 1 1 5 1003 1 1 12 ILE HD11 H -0.669 -14.863 -1.411 1.00 . A A . 61 ILE HD11 1 1 5 1004 1 1 12 ILE HD12 H -0.215 -13.726 -2.652 1.00 . A A . 61 ILE HD12 1 1 5 1005 1 1 12 ILE HD13 H 0.735 -13.860 -1.171 1.00 . A A . 61 ILE HD13 1 1 5 1006 1 1 12 ILE HG13 H -0.625 -11.814 -1.179 1.00 . A A . 61 ILE HG12 1 1 5 1007 1 1 12 ILE HG21 H -4.070 -11.501 -2.069 1.00 . A A . 61 ILE HG21 1 1 5 1008 1 1 12 ILE HG22 H -3.280 -11.023 -0.582 1.00 . A A . 61 ILE HG22 1 1 5 1009 1 1 12 ILE HG23 H -2.488 -10.760 -2.118 1.00 . A A . 61 ILE HG23 1 1 5 1010 1 1 12 ILE N N -3.734 -13.230 0.557 1.00 . A A . 61 ILE N 1 1 5 1011 1 1 12 ILE O O -2.954 -16.179 -1.122 1.00 . A A . 61 ILE O 1 1 5 1012 1 1 13 ILE C C -2.213 -17.707 1.030 1.00 . A A . 62 ARG C 1 1 5 1013 1 1 13 ILE CA C -1.234 -16.528 0.982 1.00 . A A . 62 ARG CA 1 1 5 1014 1 1 13 ILE CB C -0.539 -16.349 2.362 1.00 . A A . 62 ARG CB 1 1 5 1015 1 1 13 ILE H H -1.731 -14.435 1.156 1.00 . A A . 62 ARG H 1 1 5 1016 1 1 13 ILE HA H -0.507 -16.747 0.218 1.00 . A A . 62 ARG HA 1 1 5 1017 1 1 13 ILE HD12 H 2.911 -16.574 1.835 1.00 . A A . 62 ARG HD2 1 1 5 1018 1 1 13 ILE HD13 H 1.957 -17.577 2.912 1.00 . A A . 62 ARG HD3 1 1 5 1019 1 1 13 ILE N N -1.907 -15.245 0.615 1.00 . A A . 62 ARG N 1 1 5 1020 1 1 13 ILE O O -1.794 -18.823 0.794 1.00 . A A . 62 ARG O 1 1 5 1021 1 1 14 ARG C C -5.556 -18.466 0.294 1.00 . A A . 63 ILE C 1 1 5 1022 1 1 14 ARG CA C -4.455 -18.566 1.387 1.00 . A A . 63 ILE CA 1 1 5 1023 1 1 14 ARG CB C -5.032 -18.526 2.817 1.00 . A A . 63 ILE CB 1 1 5 1024 1 1 14 ARG H H -3.787 -16.549 1.536 1.00 . A A . 63 ILE H 1 1 5 1025 1 1 14 ARG HA H -3.945 -19.510 1.276 1.00 . A A . 63 ILE HA 1 1 5 1026 1 1 14 ARG N N -3.466 -17.455 1.330 1.00 . A A . 63 ILE N 1 1 5 1027 1 1 14 ARG O O -6.015 -19.462 -0.231 1.00 . A A . 63 ILE O 1 1 5 1028 1 1 15 ILE C C -6.920 -17.734 -2.228 1.00 . A A . 64 LEU C 1 1 5 1029 1 1 15 ILE CA C -6.948 -16.838 -1.003 1.00 . A A . 64 LEU CA 1 1 5 1030 1 1 15 ILE CB C -6.669 -15.353 -1.359 1.00 . A A . 64 LEU CB 1 1 5 1031 1 1 15 ILE CD1 C -9.078 -14.619 -1.713 1.00 . A A . 64 LEU CD1 1 1 5 1032 1 1 15 ILE H H -5.428 -16.546 0.458 1.00 . A A . 64 LEU H 1 1 5 1033 1 1 15 ILE HA H -7.918 -16.942 -0.538 1.00 . A A . 64 LEU HA 1 1 5 1034 1 1 15 ILE HD11 H -9.030 -13.955 -0.861 1.00 . A A . 64 LEU HD11 1 1 5 1035 1 1 15 ILE HD12 H -9.779 -14.208 -2.426 1.00 . A A . 64 LEU HD12 1 1 5 1036 1 1 15 ILE HD13 H -9.455 -15.578 -1.387 1.00 . A A . 64 LEU HD13 1 1 5 1037 1 1 15 ILE N N -5.907 -17.245 -0.005 1.00 . A A . 64 LEU N 1 1 5 1038 1 1 15 ILE O O -7.594 -18.742 -2.274 1.00 . A A . 64 LEU O 1 1 5 1039 1 1 16 LEU C C -5.245 -19.454 -4.081 1.00 . A A . 65 GLN C 1 1 5 1040 1 1 16 LEU CA C -6.121 -18.259 -4.397 1.00 . A A . 65 GLN CA 1 1 5 1041 1 1 16 LEU CB C -5.569 -17.492 -5.633 1.00 . A A . 65 GLN CB 1 1 5 1042 1 1 16 LEU CG C -4.138 -16.920 -5.437 1.00 . A A . 65 GLN CG 1 1 5 1043 1 1 16 LEU H H -5.598 -16.567 -3.188 1.00 . A A . 65 GLN H 1 1 5 1044 1 1 16 LEU HA H -7.113 -18.640 -4.554 1.00 . A A . 65 GLN HA 1 1 5 1045 1 1 16 LEU HB3 H -5.554 -18.175 -6.463 1.00 . A A . 65 GLN HB2 1 1 5 1046 1 1 16 LEU N N -6.142 -17.375 -3.213 1.00 . A A . 65 GLN N 1 1 5 1047 1 1 16 LEU O O -4.979 -20.255 -4.954 1.00 . A A . 65 GLN O 1 1 5 1048 1 1 17 GLN C C -4.867 -21.970 -2.462 1.00 . A A . 66 GLN C 1 1 5 1049 1 1 17 GLN CA C -3.960 -20.738 -2.525 1.00 . A A . 66 GLN CA 1 1 5 1050 1 1 17 GLN CB C -3.282 -20.502 -1.168 1.00 . A A . 66 GLN CB 1 1 5 1051 1 1 17 GLN CD C -0.897 -20.613 -1.918 1.00 . A A . 66 GLN CD 1 1 5 1052 1 1 17 GLN CG C -1.968 -21.302 -1.067 1.00 . A A . 66 GLN CG 1 1 5 1053 1 1 17 GLN H H -5.073 -18.919 -2.139 1.00 . A A . 66 GLN H 1 1 5 1054 1 1 17 GLN HA H -3.238 -20.876 -3.320 1.00 . A A . 66 GLN HA 1 1 5 1055 1 1 17 GLN HB3 H -3.077 -19.450 -1.042 1.00 . A A . 66 GLN HB2 1 1 5 1056 1 1 17 GLN HE21 H -0.421 -19.346 -0.470 1.00 . A A . 66 GLN HE21 1 1 5 1057 1 1 17 GLN HE22 H 0.462 -19.174 -1.916 1.00 . A A . 66 GLN HE22 1 1 5 1058 1 1 17 GLN HG3 H -1.626 -21.340 -0.043 1.00 . A A . 66 GLN HG2 1 1 5 1059 1 1 17 GLN N N -4.824 -19.571 -2.846 1.00 . A A . 66 GLN N 1 1 5 1060 1 1 17 GLN NE2 N -0.228 -19.629 -1.395 1.00 . A A . 66 GLN NE2 1 1 5 1061 1 1 17 GLN O O -4.492 -23.046 -2.888 1.00 . A A . 66 GLN O 1 1 5 1062 1 1 17 GLN OE1 O -0.661 -20.960 -3.056 1.00 . A A . 66 GLN OE1 1 1 5 1063 1 1 18 GLN C C -7.705 -23.116 -3.176 1.00 . A A . 67 LEU C 1 1 5 1064 1 1 18 GLN CA C -6.998 -22.925 -1.838 1.00 . A A . 67 LEU CA 1 1 5 1065 1 1 18 GLN CB C -7.979 -22.619 -0.660 1.00 . A A . 67 LEU CB 1 1 5 1066 1 1 18 GLN CG C -8.948 -21.418 -0.871 1.00 . A A . 67 LEU CG 1 1 5 1067 1 1 18 GLN H H -6.329 -20.872 -1.645 1.00 . A A . 67 LEU H 1 1 5 1068 1 1 18 GLN HA H -6.433 -23.815 -1.609 1.00 . A A . 67 LEU HA 1 1 5 1069 1 1 18 GLN HB3 H -8.552 -23.511 -0.488 1.00 . A A . 67 LEU HB2 1 1 5 1070 1 1 18 GLN N N -6.056 -21.772 -1.946 1.00 . A A . 67 LEU N 1 1 5 1071 1 1 18 GLN O O -8.174 -24.180 -3.541 1.00 . A A . 67 LEU O 1 1 5 1072 1 1 19 LEU C C -7.467 -22.697 -6.212 1.00 . A A . 68 LEU C 1 1 5 1073 1 1 19 LEU CA C -8.402 -22.063 -5.221 1.00 . A A . 68 LEU CA 1 1 5 1074 1 1 19 LEU CB C -8.733 -20.625 -5.646 1.00 . A A . 68 LEU CB 1 1 5 1075 1 1 19 LEU CD1 C -9.885 -18.436 -5.032 1.00 . A A . 68 LEU CD1 1 1 5 1076 1 1 19 LEU CD2 C -11.108 -20.594 -4.754 1.00 . A A . 68 LEU CD2 1 1 5 1077 1 1 19 LEU CG C -9.714 -19.930 -4.653 1.00 . A A . 68 LEU CG 1 1 5 1078 1 1 19 LEU H H -7.353 -21.215 -3.551 1.00 . A A . 68 LEU H 1 1 5 1079 1 1 19 LEU HA H -9.235 -22.739 -5.182 1.00 . A A . 68 LEU HA 1 1 5 1080 1 1 19 LEU HB3 H -7.805 -20.081 -5.707 1.00 . A A . 68 LEU HB2 1 1 5 1081 1 1 19 LEU HD11 H -10.279 -18.339 -6.034 1.00 . A A . 68 LEU HD11 1 1 5 1082 1 1 19 LEU HD12 H -10.577 -17.964 -4.349 1.00 . A A . 68 LEU HD12 1 1 5 1083 1 1 19 LEU HD13 H -8.952 -17.897 -4.979 1.00 . A A . 68 LEU HD13 1 1 5 1084 1 1 19 LEU HD21 H -11.502 -20.501 -5.758 1.00 . A A . 68 LEU HD21 1 1 5 1085 1 1 19 LEU HD22 H -11.054 -21.643 -4.507 1.00 . A A . 68 LEU HD22 1 1 5 1086 1 1 19 LEU HD23 H -11.797 -20.122 -4.070 1.00 . A A . 68 LEU HD23 1 1 5 1087 1 1 19 LEU HG H -9.342 -19.994 -3.639 1.00 . A A . 68 LEU HG 1 1 5 1088 1 1 19 LEU N N -7.750 -22.036 -3.895 1.00 . A A . 68 LEU N 1 1 5 1089 1 1 19 LEU O O -7.891 -23.480 -7.033 1.00 . A A . 68 LEU O 1 1 5 1090 1 1 20 LEU C C -5.199 -24.431 -6.851 1.00 . A A . 69 PHE C 1 1 5 1091 1 1 20 LEU CA C -5.247 -22.961 -7.066 1.00 . A A . 69 PHE CA 1 1 5 1092 1 1 20 LEU CB C -3.886 -22.296 -6.802 1.00 . A A . 69 PHE CB 1 1 5 1093 1 1 20 LEU CD1 C -2.418 -23.343 -8.563 1.00 . A A . 69 PHE CD1 1 1 5 1094 1 1 20 LEU CD2 C -1.930 -23.804 -6.277 1.00 . A A . 69 PHE CD2 1 1 5 1095 1 1 20 LEU CG C -2.711 -23.177 -7.232 1.00 . A A . 69 PHE CG 1 1 5 1096 1 1 20 LEU H H -5.894 -21.775 -5.426 1.00 . A A . 69 PHE H 1 1 5 1097 1 1 20 LEU HA H -5.636 -22.831 -8.067 1.00 . A A . 69 PHE HA 1 1 5 1098 1 1 20 LEU HB3 H -3.838 -21.368 -7.350 1.00 . A A . 69 PHE HB2 1 1 5 1099 1 1 20 LEU N N -6.216 -22.380 -6.119 1.00 . A A . 69 PHE N 1 1 5 1100 1 1 20 LEU O O -5.030 -25.171 -7.798 1.00 . A A . 69 PHE O 1 1 5 1101 1 1 21 PHE C C -6.658 -26.899 -5.690 1.00 . A A . 70 ILE C 1 1 5 1102 1 1 21 PHE CA C -5.311 -26.272 -5.411 1.00 . A A . 70 ILE CA 1 1 5 1103 1 1 21 PHE CB C -4.794 -26.521 -3.971 1.00 . A A . 70 ILE CB 1 1 5 1104 1 1 21 PHE CD1 C -6.807 -26.806 -2.540 1.00 . A A . 70 ILE CD1 1 1 5 1105 1 1 21 PHE H H -5.531 -24.188 -4.885 1.00 . A A . 70 ILE H 1 1 5 1106 1 1 21 PHE HA H -4.604 -26.659 -6.092 1.00 . A A . 70 ILE HA 1 1 5 1107 1 1 21 PHE N N -5.368 -24.822 -5.620 1.00 . A A . 70 ILE N 1 1 5 1108 1 1 21 PHE O O -6.736 -28.039 -6.104 1.00 . A A . 70 ILE O 1 1 5 1109 1 1 22 ILE C C -9.087 -26.973 -7.276 1.00 . A A . 71 HIS C 1 1 5 1110 1 1 22 ILE CA C -9.037 -26.789 -5.764 1.00 . A A . 71 HIS CA 1 1 5 1111 1 1 22 ILE CB C -10.200 -25.882 -5.294 1.00 . A A . 71 HIS CB 1 1 5 1112 1 1 22 ILE H H -7.608 -25.226 -5.159 1.00 . A A . 71 HIS H 1 1 5 1113 1 1 22 ILE HA H -9.032 -27.757 -5.305 1.00 . A A . 71 HIS HA 1 1 5 1114 1 1 22 ILE HD11 H -12.891 -25.114 -5.162 1.00 . A A . 71 HIS HD1 1 1 5 1115 1 1 22 ILE HD12 H -10.950 -28.740 -5.775 1.00 . A A . 71 HIS HD2 1 1 5 1116 1 1 22 ILE N N -7.712 -26.152 -5.481 1.00 . A A . 71 HIS N 1 1 5 1117 1 1 22 ILE O O -9.550 -27.967 -7.806 1.00 . A A . 71 HIS O 1 1 5 1118 1 1 23 HIS C C -7.569 -27.036 -9.837 1.00 . A A . 72 PHE C 1 1 5 1119 1 1 23 HIS CA C -8.510 -25.923 -9.395 1.00 . A A . 72 PHE CA 1 1 5 1120 1 1 23 HIS CB C -7.982 -24.535 -9.872 1.00 . A A . 72 PHE CB 1 1 5 1121 1 1 23 HIS CD2 C -9.346 -22.914 -11.278 1.00 . A A . 72 PHE CD2 1 1 5 1122 1 1 23 HIS CE1 C -11.080 -22.372 -9.208 1.00 . A A . 72 PHE CE1 1 1 5 1123 1 1 23 HIS CG C -9.157 -23.543 -10.058 1.00 . A A . 72 PHE CG 1 1 5 1124 1 1 23 HIS H H -8.236 -25.219 -7.346 1.00 . A A . 72 PHE H 1 1 5 1125 1 1 23 HIS HA H -9.485 -26.136 -9.796 1.00 . A A . 72 PHE HA 1 1 5 1126 1 1 23 HIS HB3 H -7.300 -24.126 -9.146 1.00 . A A . 72 PHE HB2 1 1 5 1127 1 1 23 HIS HD1 H -9.914 -23.740 -8.067 1.00 . A A . 72 PHE HD1 1 1 5 1128 1 1 23 HIS HD2 H -8.676 -23.119 -12.100 1.00 . A A . 72 PHE HD2 1 1 5 1129 1 1 23 HIS HE1 H -11.760 -22.161 -8.395 1.00 . A A . 72 PHE HE1 1 1 5 1130 1 1 23 HIS N N -8.574 -25.955 -7.905 1.00 . A A . 72 PHE N 1 1 5 1131 1 1 23 HIS O O -7.962 -27.904 -10.589 1.00 . A A . 72 PHE O 1 1 5 1132 1 1 24 PHE C C -5.918 -29.471 -9.534 1.00 . A A . 73 ARG C 1 1 5 1133 1 1 24 PHE CA C -5.367 -28.057 -9.742 1.00 . A A . 73 ARG CA 1 1 5 1134 1 1 24 PHE CB C -4.071 -27.907 -8.912 1.00 . A A . 73 ARG CB 1 1 5 1135 1 1 24 PHE CG C -3.049 -26.974 -9.606 1.00 . A A . 73 ARG CG 1 1 5 1136 1 1 24 PHE CZ C -0.802 -27.177 -12.548 1.00 . A A . 73 ARG CZ 1 1 5 1137 1 1 24 PHE H H -6.108 -26.258 -8.742 1.00 . A A . 73 ARG H 1 1 5 1138 1 1 24 PHE HA H -5.164 -27.945 -10.796 1.00 . A A . 73 ARG HA 1 1 5 1139 1 1 24 PHE HB3 H -4.314 -27.511 -7.940 1.00 . A A . 73 ARG HB2 1 1 5 1140 1 1 24 PHE HD2 H -2.182 -28.663 -10.680 1.00 . A A . 73 ARG HD2 1 1 5 1141 1 1 24 PHE N N -6.355 -26.991 -9.353 1.00 . A A . 73 ARG N 1 1 5 1142 1 1 24 PHE O O -5.715 -30.335 -10.366 1.00 . A A . 73 ARG O 1 1 5 1143 1 1 25 ARG C C -8.445 -31.237 -8.989 1.00 . A A . 74 ILE C 1 1 5 1144 1 1 25 ARG CA C -7.162 -31.037 -8.167 1.00 . A A . 74 ILE CA 1 1 5 1145 1 1 25 ARG CB C -7.425 -31.135 -6.641 1.00 . A A . 74 ILE CB 1 1 5 1146 1 1 25 ARG H H -6.721 -28.974 -7.766 1.00 . A A . 74 ILE H 1 1 5 1147 1 1 25 ARG HA H -6.447 -31.786 -8.483 1.00 . A A . 74 ILE HA 1 1 5 1148 1 1 25 ARG N N -6.590 -29.685 -8.432 1.00 . A A . 74 ILE N 1 1 5 1149 1 1 25 ARG O O -8.838 -32.354 -9.262 1.00 . A A . 74 ILE O 1 1 5 1150 1 1 26 ILE C C -11.509 -30.575 -9.260 1.00 . A A . 75 GLY C 1 1 5 1151 1 1 26 ILE CA C -10.324 -30.240 -10.163 1.00 . A A . 75 GLY CA 1 1 5 1152 1 1 26 ILE H H -8.690 -29.277 -9.103 1.00 . A A . 75 GLY H 1 1 5 1153 1 1 26 ILE N N -9.064 -30.150 -9.359 1.00 . A A . 75 GLY N 1 1 5 1154 1 1 26 ILE O O -12.303 -31.454 -9.525 1.00 . A A . 75 GLY O 1 1 5 1155 1 1 27 GLY N N -11.665 -29.888 -8.170 1.00 . A A . 76 NH2 N 1 1 6 1156 1 1 1 ACE C C 6.552 4.653 6.017 1.00 . A A . 50 ACE C 1 1 6 1157 1 1 1 ACE CH3 C 7.044 5.837 5.190 1.00 . A A . 50 ACE CH3 1 1 6 1158 1 1 1 ACE O O 7.333 4.018 6.695 1.00 . A A . 50 ACE O 1 1 6 1159 1 1 2 TYR C C 3.487 -0.036 3.809 1.00 . A A . 51 GLY C 1 1 6 1160 1 1 2 TYR CA C 3.314 1.467 3.590 1.00 . A A . 51 GLY CA 1 1 6 1161 1 1 2 TYR H H 4.999 2.652 4.278 1.00 . A A . 51 GLY H 1 1 6 1162 1 1 2 TYR N N 4.146 2.259 4.558 1.00 . A A . 51 GLY N 1 1 6 1163 1 1 2 TYR O O 3.697 -0.777 2.872 1.00 . A A . 51 GLY O 1 1 6 1164 1 1 3 GLY C C 2.179 -2.583 5.554 1.00 . A A . 52 ASP C 1 1 6 1165 1 1 3 GLY CA C 3.545 -1.899 5.398 1.00 . A A . 52 ASP CA 1 1 6 1166 1 1 3 GLY H H 3.213 0.221 5.745 1.00 . A A . 52 ASP H 1 1 6 1167 1 1 3 GLY N N 3.392 -0.445 5.044 1.00 . A A . 52 ASP N 1 1 6 1168 1 1 3 GLY O O 2.083 -3.699 6.027 1.00 . A A . 52 ASP O 1 1 6 1169 1 1 4 ASP C C -0.368 -3.714 4.466 1.00 . A A . 53 THR C 1 1 6 1170 1 1 4 ASP CA C -0.245 -2.441 5.223 1.00 . A A . 53 THR CA 1 1 6 1171 1 1 4 ASP CB C -1.176 -1.361 4.662 1.00 . A A . 53 THR CB 1 1 6 1172 1 1 4 ASP H H 1.231 -1.040 4.700 1.00 . A A . 53 THR H 1 1 6 1173 1 1 4 ASP HA H -0.439 -2.710 6.225 1.00 . A A . 53 THR HA 1 1 6 1174 1 1 4 ASP N N 1.146 -1.912 5.128 1.00 . A A . 53 THR N 1 1 6 1175 1 1 4 ASP O O -1.102 -4.634 4.777 1.00 . A A . 53 THR O 1 1 6 1176 1 1 5 THR C C 0.826 -6.138 3.247 1.00 . A A . 54 TRP C 1 1 6 1177 1 1 5 THR CA C 0.489 -4.822 2.540 1.00 . A A . 54 TRP CA 1 1 6 1178 1 1 5 THR CB C 1.518 -4.483 1.445 1.00 . A A . 54 TRP CB 1 1 6 1179 1 1 5 THR H H 0.949 -2.861 3.352 1.00 . A A . 54 TRP H 1 1 6 1180 1 1 5 THR HA H -0.517 -4.868 2.182 1.00 . A A . 54 TRP HA 1 1 6 1181 1 1 5 THR N N 0.425 -3.680 3.454 1.00 . A A . 54 TRP N 1 1 6 1182 1 1 5 THR O O 0.543 -7.206 2.735 1.00 . A A . 54 TRP O 1 1 6 1183 1 1 6 TRP C C 0.466 -8.062 5.456 1.00 . A A . 55 ALA C 1 1 6 1184 1 1 6 TRP CA C 1.766 -7.296 5.146 1.00 . A A . 55 ALA CA 1 1 6 1185 1 1 6 TRP CB C 2.487 -6.918 6.446 1.00 . A A . 55 ALA CB 1 1 6 1186 1 1 6 TRP H H 1.631 -5.157 4.795 1.00 . A A . 55 ALA H 1 1 6 1187 1 1 6 TRP HA H 2.372 -7.925 4.506 1.00 . A A . 55 ALA HA 1 1 6 1188 1 1 6 TRP HB2 H 3.387 -6.357 6.237 1.00 . A A . 55 ALA HB1 1 1 6 1189 1 1 6 TRP HB3 H 1.840 -6.317 7.067 1.00 . A A . 55 ALA HB2 1 1 6 1190 1 1 6 TRP N N 1.419 -6.039 4.409 1.00 . A A . 55 ALA N 1 1 6 1191 1 1 6 TRP O O 0.438 -9.276 5.547 1.00 . A A . 55 ALA O 1 1 6 1192 1 1 7 ALA C C -2.367 -8.555 4.614 1.00 . A A . 56 GLY C 1 1 6 1193 1 1 7 ALA CA C -1.918 -7.899 5.901 1.00 . A A . 56 GLY CA 1 1 6 1194 1 1 7 ALA H H -0.500 -6.334 5.485 1.00 . A A . 56 GLY H 1 1 6 1195 1 1 7 ALA N N -0.588 -7.302 5.596 1.00 . A A . 56 GLY N 1 1 6 1196 1 1 7 ALA O O -2.759 -9.703 4.600 1.00 . A A . 56 GLY O 1 1 6 1197 1 1 8 GLY C C -1.998 -9.641 1.937 1.00 . A A . 57 VAL C 1 1 6 1198 1 1 8 GLY CA C -2.685 -8.290 2.212 1.00 . A A . 57 VAL CA 1 1 6 1199 1 1 8 GLY H H -1.943 -6.883 3.639 1.00 . A A . 57 VAL H 1 1 6 1200 1 1 8 GLY N N -2.282 -7.796 3.556 1.00 . A A . 57 VAL N 1 1 6 1201 1 1 8 GLY O O -2.625 -10.601 1.521 1.00 . A A . 57 VAL O 1 1 6 1202 1 1 9 VAL C C -0.519 -12.117 2.756 1.00 . A A . 58 GLU C 1 1 6 1203 1 1 9 VAL CA C 0.057 -10.950 1.957 1.00 . A A . 58 GLU CA 1 1 6 1204 1 1 9 VAL CB C 1.526 -10.706 2.375 1.00 . A A . 58 GLU CB 1 1 6 1205 1 1 9 VAL H H -0.259 -8.867 2.523 1.00 . A A . 58 GLU H 1 1 6 1206 1 1 9 VAL HA H -0.067 -11.247 0.915 1.00 . A A . 58 GLU HA 1 1 6 1207 1 1 9 VAL N N -0.715 -9.678 2.185 1.00 . A A . 58 GLU N 1 1 6 1208 1 1 9 VAL O O -0.322 -13.266 2.405 1.00 . A A . 58 GLU O 1 1 6 1209 1 1 10 GLU C C -3.109 -13.417 3.987 1.00 . A A . 59 ALA C 1 1 6 1210 1 1 10 GLU CA C -1.802 -12.942 4.618 1.00 . A A . 59 ALA CA 1 1 6 1211 1 1 10 GLU CB C -2.032 -12.422 6.048 1.00 . A A . 59 ALA CB 1 1 6 1212 1 1 10 GLU H H -1.374 -10.884 4.053 1.00 . A A . 59 ALA H 1 1 6 1213 1 1 10 GLU HA H -1.120 -13.780 4.587 1.00 . A A . 59 ALA HA 1 1 6 1214 1 1 10 GLU HB2 H -2.712 -11.580 6.039 1.00 . A A . 59 ALA HB1 1 1 6 1215 1 1 10 GLU HB3 H -2.454 -13.200 6.665 1.00 . A A . 59 ALA HB2 1 1 6 1216 1 1 10 GLU N N -1.224 -11.826 3.808 1.00 . A A . 59 ALA N 1 1 6 1217 1 1 10 GLU O O -3.616 -14.472 4.304 1.00 . A A . 59 ALA O 1 1 6 1218 1 1 11 ALA C C -4.512 -13.746 1.151 1.00 . A A . 60 ILE C 1 1 6 1219 1 1 11 ALA CA C -4.896 -12.967 2.412 1.00 . A A . 60 ILE CA 1 1 6 1220 1 1 11 ALA CB C -5.649 -11.639 2.061 1.00 . A A . 60 ILE CB 1 1 6 1221 1 1 11 ALA H H -3.161 -11.775 2.892 1.00 . A A . 60 ILE H 1 1 6 1222 1 1 11 ALA HA H -5.477 -13.631 3.039 1.00 . A A . 60 ILE HA 1 1 6 1223 1 1 11 ALA N N -3.621 -12.615 3.102 1.00 . A A . 60 ILE N 1 1 6 1224 1 1 11 ALA O O -4.955 -14.857 0.917 1.00 . A A . 60 ILE O 1 1 6 1225 1 1 12 ILE C C -2.622 -15.133 -0.586 1.00 . A A . 61 ILE C 1 1 6 1226 1 1 12 ILE CA C -3.204 -13.752 -0.892 1.00 . A A . 61 ILE CA 1 1 6 1227 1 1 12 ILE CB C -2.194 -12.747 -1.542 1.00 . A A . 61 ILE CB 1 1 6 1228 1 1 12 ILE CD1 C -0.021 -13.832 -1.435 1.00 . A A . 61 ILE CD1 1 1 6 1229 1 1 12 ILE CG1 C -0.878 -12.708 -0.834 1.00 . A A . 61 ILE CG1 1 1 6 1230 1 1 12 ILE CG2 C -2.826 -11.336 -1.678 1.00 . A A . 61 ILE CG2 1 1 6 1231 1 1 12 ILE H H -3.310 -12.239 0.626 1.00 . A A . 61 ILE H 1 1 6 1232 1 1 12 ILE HA H -4.008 -13.880 -1.581 1.00 . A A . 61 ILE HA 1 1 6 1233 1 1 12 ILE HB H -1.959 -13.048 -2.538 1.00 . A A . 61 ILE HB 1 1 6 1234 1 1 12 ILE HD11 H -0.487 -14.799 -1.377 1.00 . A A . 61 ILE HD11 1 1 6 1235 1 1 12 ILE HD12 H 0.137 -13.614 -2.481 1.00 . A A . 61 ILE HD12 1 1 6 1236 1 1 12 ILE HD13 H 0.919 -13.882 -0.921 1.00 . A A . 61 ILE HD13 1 1 6 1237 1 1 12 ILE HG13 H -0.398 -11.760 -1.018 1.00 . A A . 61 ILE HG12 1 1 6 1238 1 1 12 ILE HG21 H -3.120 -10.928 -0.725 1.00 . A A . 61 ILE HG21 1 1 6 1239 1 1 12 ILE HG22 H -2.124 -10.654 -2.136 1.00 . A A . 61 ILE HG22 1 1 6 1240 1 1 12 ILE HG23 H -3.701 -11.395 -2.309 1.00 . A A . 61 ILE HG23 1 1 6 1241 1 1 12 ILE N N -3.662 -13.123 0.373 1.00 . A A . 61 ILE N 1 1 6 1242 1 1 12 ILE O O -2.917 -16.074 -1.299 1.00 . A A . 61 ILE O 1 1 6 1243 1 1 13 ILE C C -2.299 -17.693 0.972 1.00 . A A . 62 ARG C 1 1 6 1244 1 1 13 ILE CA C -1.250 -16.594 0.763 1.00 . A A . 62 ARG CA 1 1 6 1245 1 1 13 ILE CB C -0.374 -16.488 2.004 1.00 . A A . 62 ARG CB 1 1 6 1246 1 1 13 ILE H H -1.598 -14.464 1.030 1.00 . A A . 62 ARG H 1 1 6 1247 1 1 13 ILE HA H -0.598 -16.894 -0.046 1.00 . A A . 62 ARG HA 1 1 6 1248 1 1 13 ILE HD12 H 2.020 -17.006 3.037 1.00 . A A . 62 ARG HD2 1 1 6 1249 1 1 13 ILE HD13 H 2.920 -15.633 2.376 1.00 . A A . 62 ARG HD3 1 1 6 1250 1 1 13 ILE N N -1.825 -15.243 0.456 1.00 . A A . 62 ARG N 1 1 6 1251 1 1 13 ILE O O -1.966 -18.854 0.859 1.00 . A A . 62 ARG O 1 1 6 1252 1 1 14 ARG C C -5.657 -18.312 0.384 1.00 . A A . 63 ILE C 1 1 6 1253 1 1 14 ARG CA C -4.572 -18.372 1.485 1.00 . A A . 63 ILE CA 1 1 6 1254 1 1 14 ARG CB C -5.122 -18.114 2.918 1.00 . A A . 63 ILE CB 1 1 6 1255 1 1 14 ARG H H -3.772 -16.388 1.391 1.00 . A A . 63 ILE H 1 1 6 1256 1 1 14 ARG HA H -4.130 -19.357 1.440 1.00 . A A . 63 ILE HA 1 1 6 1257 1 1 14 ARG N N -3.520 -17.333 1.278 1.00 . A A . 63 ILE N 1 1 6 1258 1 1 14 ARG O O -6.358 -19.269 0.126 1.00 . A A . 63 ILE O 1 1 6 1259 1 1 15 ILE C C -6.570 -17.898 -2.448 1.00 . A A . 64 LEU C 1 1 6 1260 1 1 15 ILE CA C -6.695 -16.863 -1.329 1.00 . A A . 64 LEU CA 1 1 6 1261 1 1 15 ILE CB C -6.352 -15.406 -1.775 1.00 . A A . 64 LEU CB 1 1 6 1262 1 1 15 ILE CD1 C -8.661 -14.590 -2.437 1.00 . A A . 64 LEU CD1 1 1 6 1263 1 1 15 ILE H H -5.091 -16.484 0.027 1.00 . A A . 64 LEU H 1 1 6 1264 1 1 15 ILE HA H -7.694 -16.924 -0.929 1.00 . A A . 64 LEU HA 1 1 6 1265 1 1 15 ILE HD11 H -8.646 -13.845 -1.653 1.00 . A A . 64 LEU HD11 1 1 6 1266 1 1 15 ILE HD12 H -9.272 -14.220 -3.248 1.00 . A A . 64 LEU HD12 1 1 6 1267 1 1 15 ILE HD13 H -9.120 -15.490 -2.050 1.00 . A A . 64 LEU HD13 1 1 6 1268 1 1 15 ILE N N -5.726 -17.172 -0.238 1.00 . A A . 64 LEU N 1 1 6 1269 1 1 15 ILE O O -7.116 -18.986 -2.410 1.00 . A A . 64 LEU O 1 1 6 1270 1 1 16 LEU C C -4.805 -19.666 -4.172 1.00 . A A . 65 GLN C 1 1 6 1271 1 1 16 LEU CA C -5.643 -18.473 -4.579 1.00 . A A . 65 GLN CA 1 1 6 1272 1 1 16 LEU CB C -4.948 -17.744 -5.740 1.00 . A A . 65 GLN CB 1 1 6 1273 1 1 16 LEU CG C -3.672 -17.052 -5.196 1.00 . A A . 65 GLN CG 1 1 6 1274 1 1 16 LEU H H -5.391 -16.667 -3.458 1.00 . A A . 65 GLN H 1 1 6 1275 1 1 16 LEU HA H -6.611 -18.850 -4.840 1.00 . A A . 65 GLN HA 1 1 6 1276 1 1 16 LEU HB3 H -4.678 -18.462 -6.505 1.00 . A A . 65 GLN HB2 1 1 6 1277 1 1 16 LEU N N -5.825 -17.541 -3.450 1.00 . A A . 65 GLN N 1 1 6 1278 1 1 16 LEU O O -4.517 -20.496 -5.008 1.00 . A A . 65 GLN O 1 1 6 1279 1 1 17 GLN C C -4.514 -22.136 -2.435 1.00 . A A . 66 GLN C 1 1 6 1280 1 1 17 GLN CA C -3.599 -20.939 -2.557 1.00 . A A . 66 GLN CA 1 1 6 1281 1 1 17 GLN CB C -2.904 -20.653 -1.216 1.00 . A A . 66 GLN CB 1 1 6 1282 1 1 17 GLN CD C -0.457 -20.240 -1.692 1.00 . A A . 66 GLN CD 1 1 6 1283 1 1 17 GLN CG C -1.479 -21.261 -1.168 1.00 . A A . 66 GLN CG 1 1 6 1284 1 1 17 GLN H H -4.706 -19.096 -2.240 1.00 . A A . 66 GLN H 1 1 6 1285 1 1 17 GLN HA H -2.920 -21.154 -3.372 1.00 . A A . 66 GLN HA 1 1 6 1286 1 1 17 GLN HB3 H -2.836 -19.585 -1.072 1.00 . A A . 66 GLN HB2 1 1 6 1287 1 1 17 GLN HE21 H -1.686 -19.389 -2.995 1.00 . A A . 66 GLN HE21 1 1 6 1288 1 1 17 GLN HE22 H -0.115 -18.734 -2.901 1.00 . A A . 66 GLN HE22 1 1 6 1289 1 1 17 GLN HG3 H -1.218 -21.497 -0.146 1.00 . A A . 66 GLN HG2 1 1 6 1290 1 1 17 GLN N N -4.435 -19.761 -2.924 1.00 . A A . 66 GLN N 1 1 6 1291 1 1 17 GLN NE2 N -0.788 -19.382 -2.610 1.00 . A A . 66 GLN NE2 1 1 6 1292 1 1 17 GLN O O -4.149 -23.248 -2.762 1.00 . A A . 66 GLN O 1 1 6 1293 1 1 17 GLN OE1 O 0.675 -20.199 -1.267 1.00 . A A . 66 GLN OE1 1 1 6 1294 1 1 18 GLN C C -7.437 -23.123 -3.096 1.00 . A A . 67 LEU C 1 1 6 1295 1 1 18 GLN CA C -6.698 -22.936 -1.802 1.00 . A A . 67 LEU CA 1 1 6 1296 1 1 18 GLN CB C -7.628 -22.518 -0.671 1.00 . A A . 67 LEU CB 1 1 6 1297 1 1 18 GLN CG C -6.808 -22.281 0.621 1.00 . A A . 67 LEU CG 1 1 6 1298 1 1 18 GLN H H -5.940 -20.920 -1.772 1.00 . A A . 67 LEU H 1 1 6 1299 1 1 18 GLN HA H -6.187 -23.861 -1.590 1.00 . A A . 67 LEU HA 1 1 6 1300 1 1 18 GLN HB3 H -8.140 -21.605 -0.947 1.00 . A A . 67 LEU HB2 1 1 6 1301 1 1 18 GLN N N -5.700 -21.853 -1.982 1.00 . A A . 67 LEU N 1 1 6 1302 1 1 18 GLN O O -7.848 -24.207 -3.456 1.00 . A A . 67 LEU O 1 1 6 1303 1 1 19 LEU C C -7.421 -22.723 -6.113 1.00 . A A . 68 LEU C 1 1 6 1304 1 1 19 LEU CA C -8.294 -22.100 -5.073 1.00 . A A . 68 LEU CA 1 1 6 1305 1 1 19 LEU CB C -8.686 -20.689 -5.509 1.00 . A A . 68 LEU CB 1 1 6 1306 1 1 19 LEU CD1 C -9.873 -18.546 -4.887 1.00 . A A . 68 LEU CD1 1 1 6 1307 1 1 19 LEU CD2 C -11.029 -20.748 -4.540 1.00 . A A . 68 LEU CD2 1 1 6 1308 1 1 19 LEU CG C -9.658 -20.027 -4.493 1.00 . A A . 68 LEU CG 1 1 6 1309 1 1 19 LEU H H -7.228 -21.198 -3.443 1.00 . A A . 68 LEU H 1 1 6 1310 1 1 19 LEU HA H -9.105 -22.794 -4.965 1.00 . A A . 68 LEU HA 1 1 6 1311 1 1 19 LEU HB3 H -7.790 -20.106 -5.615 1.00 . A A . 68 LEU HB2 1 1 6 1312 1 1 19 LEU HD11 H -10.289 -18.467 -5.880 1.00 . A A . 68 LEU HD11 1 1 6 1313 1 1 19 LEU HD12 H -10.553 -18.071 -4.193 1.00 . A A . 68 LEU HD12 1 1 6 1314 1 1 19 LEU HD13 H -8.938 -18.003 -4.862 1.00 . A A . 68 LEU HD13 1 1 6 1315 1 1 19 LEU HD21 H -11.463 -20.689 -5.529 1.00 . A A . 68 LEU HD21 1 1 6 1316 1 1 19 LEU HD22 H -10.927 -21.789 -4.271 1.00 . A A . 68 LEU HD22 1 1 6 1317 1 1 19 LEU HD23 H -11.714 -20.290 -3.839 1.00 . A A . 68 LEU HD23 1 1 6 1318 1 1 19 LEU HG H -9.255 -20.072 -3.489 1.00 . A A . 68 LEU HG 1 1 6 1319 1 1 19 LEU N N -7.584 -22.037 -3.784 1.00 . A A . 68 LEU N 1 1 6 1320 1 1 19 LEU O O -7.928 -23.454 -6.933 1.00 . A A . 68 LEU O 1 1 6 1321 1 1 20 LEU C C -5.227 -24.549 -6.887 1.00 . A A . 69 PHE C 1 1 6 1322 1 1 20 LEU CA C -5.283 -23.079 -7.116 1.00 . A A . 69 PHE CA 1 1 6 1323 1 1 20 LEU CB C -3.873 -22.471 -7.016 1.00 . A A . 69 PHE CB 1 1 6 1324 1 1 20 LEU CD1 C -2.698 -23.612 -8.944 1.00 . A A . 69 PHE CD1 1 1 6 1325 1 1 20 LEU CD2 C -1.921 -24.060 -6.737 1.00 . A A . 69 PHE CD2 1 1 6 1326 1 1 20 LEU CG C -2.800 -23.412 -7.588 1.00 . A A . 69 PHE CG 1 1 6 1327 1 1 20 LEU H H -5.747 -21.892 -5.393 1.00 . A A . 69 PHE H 1 1 6 1328 1 1 20 LEU HA H -5.757 -22.951 -8.082 1.00 . A A . 69 PHE HA 1 1 6 1329 1 1 20 LEU HB3 H -3.838 -21.538 -7.558 1.00 . A A . 69 PHE HB2 1 1 6 1330 1 1 20 LEU N N -6.149 -22.465 -6.082 1.00 . A A . 69 PHE N 1 1 6 1331 1 1 20 LEU O O -5.150 -25.304 -7.833 1.00 . A A . 69 PHE O 1 1 6 1332 1 1 21 PHE C C -6.587 -26.981 -5.608 1.00 . A A . 70 ILE C 1 1 6 1333 1 1 21 PHE CA C -5.213 -26.382 -5.438 1.00 . A A . 70 ILE CA 1 1 6 1334 1 1 21 PHE CB C -4.572 -26.611 -4.044 1.00 . A A . 70 ILE CB 1 1 6 1335 1 1 21 PHE CD1 C -6.471 -26.920 -2.457 1.00 . A A . 70 ILE CD1 1 1 6 1336 1 1 21 PHE H H -5.389 -24.295 -4.901 1.00 . A A . 70 ILE H 1 1 6 1337 1 1 21 PHE HA H -4.564 -26.782 -6.171 1.00 . A A . 70 ILE HA 1 1 6 1338 1 1 21 PHE N N -5.285 -24.931 -5.646 1.00 . A A . 70 ILE N 1 1 6 1339 1 1 21 PHE O O -6.721 -28.110 -6.048 1.00 . A A . 70 ILE O 1 1 6 1340 1 1 22 ILE C C -9.216 -26.882 -6.925 1.00 . A A . 71 HIS C 1 1 6 1341 1 1 22 ILE CA C -8.955 -26.760 -5.432 1.00 . A A . 71 HIS CA 1 1 6 1342 1 1 22 ILE CB C -10.001 -25.821 -4.778 1.00 . A A . 71 HIS CB 1 1 6 1343 1 1 22 ILE H H -7.419 -25.282 -4.940 1.00 . A A . 71 HIS H 1 1 6 1344 1 1 22 ILE HA H -8.945 -27.744 -5.013 1.00 . A A . 71 HIS HA 1 1 6 1345 1 1 22 ILE HD11 H -12.482 -24.953 -3.893 1.00 . A A . 71 HIS HD1 1 1 6 1346 1 1 22 ILE HD12 H -11.094 -28.525 -5.498 1.00 . A A . 71 HIS HD2 1 1 6 1347 1 1 22 ILE N N -7.584 -26.198 -5.276 1.00 . A A . 71 HIS N 1 1 6 1348 1 1 22 ILE O O -9.863 -27.795 -7.387 1.00 . A A . 71 HIS O 1 1 6 1349 1 1 23 HIS C C -7.946 -26.975 -9.767 1.00 . A A . 72 PHE C 1 1 6 1350 1 1 23 HIS CA C -8.854 -25.940 -9.129 1.00 . A A . 72 PHE CA 1 1 6 1351 1 1 23 HIS CB C -8.520 -24.537 -9.709 1.00 . A A . 72 PHE CB 1 1 6 1352 1 1 23 HIS CD2 C -10.383 -23.749 -11.224 1.00 . A A . 72 PHE CD2 1 1 6 1353 1 1 23 HIS CE1 C -11.738 -22.573 -9.131 1.00 . A A . 72 PHE CE1 1 1 6 1354 1 1 23 HIS CG C -9.850 -23.809 -9.950 1.00 . A A . 72 PHE CG 1 1 6 1355 1 1 23 HIS H H -8.176 -25.260 -7.157 1.00 . A A . 72 PHE H 1 1 6 1356 1 1 23 HIS HA H -9.870 -26.219 -9.354 1.00 . A A . 72 PHE HA 1 1 6 1357 1 1 23 HIS HB3 H -7.923 -23.958 -9.031 1.00 . A A . 72 PHE HB2 1 1 6 1358 1 1 23 HIS HD1 H -10.126 -23.256 -7.906 1.00 . A A . 72 PHE HD1 1 1 6 1359 1 1 23 HIS HD2 H -9.859 -24.209 -12.051 1.00 . A A . 72 PHE HD2 1 1 6 1360 1 1 23 HIS HE1 H -12.268 -22.113 -8.309 1.00 . A A . 72 PHE HE1 1 1 6 1361 1 1 23 HIS N N -8.682 -25.942 -7.643 1.00 . A A . 72 PHE N 1 1 6 1362 1 1 23 HIS O O -8.372 -27.732 -10.612 1.00 . A A . 72 PHE O 1 1 6 1363 1 1 24 PHE C C -6.317 -29.422 -9.851 1.00 . A A . 73 ARG C 1 1 6 1364 1 1 24 PHE CA C -5.772 -27.992 -9.947 1.00 . A A . 73 ARG CA 1 1 6 1365 1 1 24 PHE CB C -4.407 -27.920 -9.224 1.00 . A A . 73 ARG CB 1 1 6 1366 1 1 24 PHE CG C -3.484 -29.070 -9.736 1.00 . A A . 73 ARG CG 1 1 6 1367 1 1 24 PHE CZ C -0.625 -27.819 -10.909 1.00 . A A . 73 ARG CZ 1 1 6 1368 1 1 24 PHE H H -6.412 -26.351 -8.666 1.00 . A A . 73 ARG H 1 1 6 1369 1 1 24 PHE HA H -5.643 -27.751 -10.991 1.00 . A A . 73 ARG HA 1 1 6 1370 1 1 24 PHE HB3 H -3.951 -26.961 -9.418 1.00 . A A . 73 ARG HB2 1 1 6 1371 1 1 24 PHE HD2 H -2.031 -28.665 -8.186 1.00 . A A . 73 ARG HD2 1 1 6 1372 1 1 24 PHE N N -6.711 -26.991 -9.352 1.00 . A A . 73 ARG N 1 1 6 1373 1 1 24 PHE O O -6.197 -30.178 -10.797 1.00 . A A . 73 ARG O 1 1 6 1374 1 1 25 ARG C C -8.973 -31.222 -8.717 1.00 . A A . 74 ILE C 1 1 6 1375 1 1 25 ARG CA C -7.442 -31.138 -8.570 1.00 . A A . 74 ILE CA 1 1 6 1376 1 1 25 ARG CB C -6.962 -31.631 -7.178 1.00 . A A . 74 ILE CB 1 1 6 1377 1 1 25 ARG H H -6.970 -29.130 -7.978 1.00 . A A . 74 ILE H 1 1 6 1378 1 1 25 ARG HA H -7.014 -31.775 -9.334 1.00 . A A . 74 ILE HA 1 1 6 1379 1 1 25 ARG N N -6.895 -29.761 -8.727 1.00 . A A . 74 ILE N 1 1 6 1380 1 1 25 ARG O O -9.493 -32.243 -9.120 1.00 . A A . 74 ILE O 1 1 6 1381 1 1 26 ILE C C -11.654 -29.253 -9.630 1.00 . A A . 75 GLY C 1 1 6 1382 1 1 26 ILE CA C -11.162 -30.148 -8.496 1.00 . A A . 75 GLY CA 1 1 6 1383 1 1 26 ILE H H -9.201 -29.360 -8.075 1.00 . A A . 75 GLY H 1 1 6 1384 1 1 26 ILE N N -9.663 -30.163 -8.392 1.00 . A A . 75 GLY N 1 1 6 1385 1 1 26 ILE O O -12.831 -29.026 -9.806 1.00 . A A . 75 GLY O 1 1 6 1386 1 1 27 GLY N N -10.801 -28.710 -10.441 1.00 . A A . 76 NH2 N 1 1 7 1387 1 1 1 ACE C C 6.174 3.067 5.647 1.00 . A A . 50 ACE C 1 1 7 1388 1 1 1 ACE CH3 C 7.693 3.067 5.445 1.00 . A A . 50 ACE CH3 1 1 7 1389 1 1 1 ACE O O 5.594 2.059 6.003 1.00 . A A . 50 ACE O 1 1 7 1390 1 1 2 TYR C C 2.980 0.117 3.117 1.00 . A A . 51 GLY C 1 1 7 1391 1 1 2 TYR CA C 2.760 1.628 3.165 1.00 . A A . 51 GLY CA 1 1 7 1392 1 1 2 TYR H H 4.138 1.883 4.847 1.00 . A A . 51 GLY H 1 1 7 1393 1 1 2 TYR N N 3.496 2.344 4.262 1.00 . A A . 51 GLY N 1 1 7 1394 1 1 2 TYR O O 2.696 -0.513 2.117 1.00 . A A . 51 GLY O 1 1 7 1395 1 1 3 GLY C C 2.396 -2.655 4.569 1.00 . A A . 52 ASP C 1 1 7 1396 1 1 3 GLY CA C 3.706 -1.945 4.197 1.00 . A A . 52 ASP CA 1 1 7 1397 1 1 3 GLY H H 3.660 0.063 4.987 1.00 . A A . 52 ASP H 1 1 7 1398 1 1 3 GLY N N 3.461 -0.460 4.183 1.00 . A A . 52 ASP N 1 1 7 1399 1 1 3 GLY O O 2.394 -3.749 5.096 1.00 . A A . 52 ASP O 1 1 7 1400 1 1 4 ASP C C -0.300 -3.822 3.800 1.00 . A A . 53 THR C 1 1 7 1401 1 1 4 ASP CA C -0.052 -2.560 4.567 1.00 . A A . 53 THR CA 1 1 7 1402 1 1 4 ASP CB C -1.079 -1.453 4.208 1.00 . A A . 53 THR CB 1 1 7 1403 1 1 4 ASP H H 1.301 -1.159 3.803 1.00 . A A . 53 THR H 1 1 7 1404 1 1 4 ASP HA H -0.038 -2.846 5.580 1.00 . A A . 53 THR HA 1 1 7 1405 1 1 4 ASP N N 1.298 -2.020 4.262 1.00 . A A . 53 THR N 1 1 7 1406 1 1 4 ASP O O -1.065 -4.705 4.151 1.00 . A A . 53 THR O 1 1 7 1407 1 1 5 THR C C 0.705 -6.310 2.515 1.00 . A A . 54 TRP C 1 1 7 1408 1 1 5 THR CA C 0.318 -5.002 1.837 1.00 . A A . 54 TRP CA 1 1 7 1409 1 1 5 THR CB C 1.195 -4.745 0.612 1.00 . A A . 54 TRP CB 1 1 7 1410 1 1 5 THR H H 1.004 -3.077 2.576 1.00 . A A . 54 TRP H 1 1 7 1411 1 1 5 THR HA H -0.729 -5.027 1.613 1.00 . A A . 54 TRP HA 1 1 7 1412 1 1 5 THR N N 0.421 -3.842 2.732 1.00 . A A . 54 TRP N 1 1 7 1413 1 1 5 THR O O 0.328 -7.372 2.055 1.00 . A A . 54 TRP O 1 1 7 1414 1 1 6 TRP C C 0.562 -8.170 4.811 1.00 . A A . 55 ALA C 1 1 7 1415 1 1 6 TRP CA C 1.838 -7.483 4.286 1.00 . A A . 55 ALA CA 1 1 7 1416 1 1 6 TRP CB C 2.768 -7.136 5.444 1.00 . A A . 55 ALA CB 1 1 7 1417 1 1 6 TRP H H 1.727 -5.342 3.933 1.00 . A A . 55 ALA H 1 1 7 1418 1 1 6 TRP HA H 2.321 -8.137 3.575 1.00 . A A . 55 ALA HA 1 1 7 1419 1 1 6 TRP HB2 H 2.266 -6.482 6.141 1.00 . A A . 55 ALA HB1 1 1 7 1420 1 1 6 TRP HB3 H 3.057 -8.042 5.960 1.00 . A A . 55 ALA HB2 1 1 7 1421 1 1 6 TRP N N 1.443 -6.221 3.591 1.00 . A A . 55 ALA N 1 1 7 1422 1 1 6 TRP O O 0.494 -9.378 4.958 1.00 . A A . 55 ALA O 1 1 7 1423 1 1 7 ALA C C -2.360 -8.594 4.410 1.00 . A A . 56 GLY C 1 1 7 1424 1 1 7 ALA CA C -1.725 -7.871 5.578 1.00 . A A . 56 GLY CA 1 1 7 1425 1 1 7 ALA H H -0.311 -6.383 4.893 1.00 . A A . 56 GLY H 1 1 7 1426 1 1 7 ALA N N -0.426 -7.345 5.062 1.00 . A A . 56 GLY N 1 1 7 1427 1 1 7 ALA O O -2.772 -9.730 4.518 1.00 . A A . 56 GLY O 1 1 7 1428 1 1 8 GLY C C -2.362 -9.831 1.779 1.00 . A A . 57 VAL C 1 1 7 1429 1 1 8 GLY CA C -2.988 -8.458 2.067 1.00 . A A . 57 VAL CA 1 1 7 1430 1 1 8 GLY H H -2.036 -6.990 3.290 1.00 . A A . 57 VAL H 1 1 7 1431 1 1 8 GLY N N -2.401 -7.898 3.308 1.00 . A A . 57 VAL N 1 1 7 1432 1 1 8 GLY O O -3.049 -10.817 1.574 1.00 . A A . 57 VAL O 1 1 7 1433 1 1 9 VAL C C -0.764 -12.243 2.478 1.00 . A A . 58 GLU C 1 1 7 1434 1 1 9 VAL CA C -0.352 -11.140 1.509 1.00 . A A . 58 GLU CA 1 1 7 1435 1 1 9 VAL CB C 1.180 -10.890 1.595 1.00 . A A . 58 GLU CB 1 1 7 1436 1 1 9 VAL H H -0.550 -9.025 1.959 1.00 . A A . 58 GLU H 1 1 7 1437 1 1 9 VAL HA H -0.670 -11.480 0.533 1.00 . A A . 58 GLU HA 1 1 7 1438 1 1 9 VAL N N -1.058 -9.853 1.780 1.00 . A A . 58 GLU N 1 1 7 1439 1 1 9 VAL O O -0.652 -13.406 2.143 1.00 . A A . 58 GLU O 1 1 7 1440 1 1 10 GLU C C -2.955 -13.583 4.129 1.00 . A A . 59 ALA C 1 1 7 1441 1 1 10 GLU CA C -1.645 -12.950 4.603 1.00 . A A . 59 ALA CA 1 1 7 1442 1 1 10 GLU CB C -1.841 -12.341 6.005 1.00 . A A . 59 ALA CB 1 1 7 1443 1 1 10 GLU H H -1.350 -10.922 3.857 1.00 . A A . 59 ALA H 1 1 7 1444 1 1 10 GLU HA H -0.878 -13.712 4.627 1.00 . A A . 59 ALA HA 1 1 7 1445 1 1 10 GLU HB2 H -2.615 -11.585 5.995 1.00 . A A . 59 ALA HB1 1 1 7 1446 1 1 10 GLU HB3 H -2.131 -13.120 6.696 1.00 . A A . 59 ALA HB2 1 1 7 1447 1 1 10 GLU N N -1.243 -11.878 3.636 1.00 . A A . 59 ALA N 1 1 7 1448 1 1 10 GLU O O -3.267 -14.714 4.439 1.00 . A A . 59 ALA O 1 1 7 1449 1 1 11 ALA C C -4.717 -14.114 1.596 1.00 . A A . 60 ILE C 1 1 7 1450 1 1 11 ALA CA C -4.989 -13.264 2.831 1.00 . A A . 60 ILE CA 1 1 7 1451 1 1 11 ALA CB C -5.845 -12.013 2.460 1.00 . A A . 60 ILE CB 1 1 7 1452 1 1 11 ALA H H -3.350 -11.907 3.155 1.00 . A A . 60 ILE H 1 1 7 1453 1 1 11 ALA HA H -5.466 -13.901 3.563 1.00 . A A . 60 ILE HA 1 1 7 1454 1 1 11 ALA N N -3.679 -12.805 3.374 1.00 . A A . 60 ILE N 1 1 7 1455 1 1 11 ALA O O -5.181 -15.237 1.483 1.00 . A A . 60 ILE O 1 1 7 1456 1 1 12 ILE C C -2.917 -15.569 -0.095 1.00 . A A . 61 ILE C 1 1 7 1457 1 1 12 ILE CA C -3.633 -14.298 -0.539 1.00 . A A . 61 ILE CA 1 1 7 1458 1 1 12 ILE CB C -2.792 -13.356 -1.459 1.00 . A A . 61 ILE CB 1 1 7 1459 1 1 12 ILE CD1 C -0.571 -14.380 -1.556 1.00 . A A . 61 ILE CD1 1 1 7 1460 1 1 12 ILE CG1 C -1.373 -13.211 -1.005 1.00 . A A . 61 ILE CG1 1 1 7 1461 1 1 12 ILE CG2 C -3.482 -11.968 -1.585 1.00 . A A . 61 ILE CG2 1 1 7 1462 1 1 12 ILE H H -3.580 -12.650 0.833 1.00 . A A . 61 ILE H 1 1 7 1463 1 1 12 ILE HA H -4.512 -14.577 -1.060 1.00 . A A . 61 ILE HA 1 1 7 1464 1 1 12 ILE HB H -2.752 -13.775 -2.443 1.00 . A A . 61 ILE HB 1 1 7 1465 1 1 12 ILE HD11 H -0.949 -15.331 -1.232 1.00 . A A . 61 ILE HD11 1 1 7 1466 1 1 12 ILE HD12 H -0.606 -14.349 -2.634 1.00 . A A . 61 ILE HD12 1 1 7 1467 1 1 12 ILE HD13 H 0.442 -14.282 -1.215 1.00 . A A . 61 ILE HD13 1 1 7 1468 1 1 12 ILE HG13 H -0.964 -12.284 -1.371 1.00 . A A . 61 ILE HG12 1 1 7 1469 1 1 12 ILE HG21 H -4.480 -12.090 -1.980 1.00 . A A . 61 ILE HG21 1 1 7 1470 1 1 12 ILE HG22 H -3.555 -11.470 -0.634 1.00 . A A . 61 ILE HG22 1 1 7 1471 1 1 12 ILE HG23 H -2.928 -11.330 -2.258 1.00 . A A . 61 ILE HG23 1 1 7 1472 1 1 12 ILE N N -3.950 -13.550 0.698 1.00 . A A . 61 ILE N 1 1 7 1473 1 1 12 ILE O O -3.064 -16.594 -0.727 1.00 . A A . 61 ILE O 1 1 7 1474 1 1 13 ILE C C -2.326 -17.887 1.600 1.00 . A A . 62 ARG C 1 1 7 1475 1 1 13 ILE CA C -1.424 -16.652 1.509 1.00 . A A . 62 ARG CA 1 1 7 1476 1 1 13 ILE CB C -0.880 -16.365 2.929 1.00 . A A . 62 ARG CB 1 1 7 1477 1 1 13 ILE H H -2.059 -14.607 1.445 1.00 . A A . 62 ARG H 1 1 7 1478 1 1 13 ILE HA H -0.621 -16.866 0.824 1.00 . A A . 62 ARG HA 1 1 7 1479 1 1 13 ILE HD12 H 0.944 -15.532 1.156 1.00 . A A . 62 ARG HD2 1 1 7 1480 1 1 13 ILE HD13 H 1.551 -14.762 2.619 1.00 . A A . 62 ARG HD3 1 1 7 1481 1 1 13 ILE N N -2.165 -15.468 0.978 1.00 . A A . 62 ARG N 1 1 7 1482 1 1 13 ILE O O -1.843 -18.997 1.483 1.00 . A A . 62 ARG O 1 1 7 1483 1 1 14 ARG C C -5.636 -18.785 0.834 1.00 . A A . 63 ILE C 1 1 7 1484 1 1 14 ARG CA C -4.543 -18.810 1.916 1.00 . A A . 63 ILE CA 1 1 7 1485 1 1 14 ARG CB C -5.105 -18.746 3.373 1.00 . A A . 63 ILE CB 1 1 7 1486 1 1 14 ARG H H -3.939 -16.744 1.894 1.00 . A A . 63 ILE H 1 1 7 1487 1 1 14 ARG HA H -4.026 -19.759 1.831 1.00 . A A . 63 ILE HA 1 1 7 1488 1 1 14 ARG N N -3.596 -17.664 1.806 1.00 . A A . 63 ILE N 1 1 7 1489 1 1 14 ARG O O -6.150 -19.814 0.449 1.00 . A A . 63 ILE O 1 1 7 1490 1 1 15 ILE C C -6.585 -18.245 -1.947 1.00 . A A . 64 LEU C 1 1 7 1491 1 1 15 ILE CA C -7.015 -17.506 -0.700 1.00 . A A . 64 LEU CA 1 1 7 1492 1 1 15 ILE CB C -7.260 -16.001 -0.971 1.00 . A A . 64 LEU CB 1 1 7 1493 1 1 15 ILE CD1 C -9.631 -16.514 -1.826 1.00 . A A . 64 LEU CD1 1 1 7 1494 1 1 15 ILE H H -5.475 -16.833 0.641 1.00 . A A . 64 LEU H 1 1 7 1495 1 1 15 ILE HA H -7.926 -17.951 -0.343 1.00 . A A . 64 LEU HA 1 1 7 1496 1 1 15 ILE HD11 H -10.075 -16.148 -0.911 1.00 . A A . 64 LEU HD11 1 1 7 1497 1 1 15 ILE HD12 H -10.319 -16.328 -2.638 1.00 . A A . 64 LEU HD12 1 1 7 1498 1 1 15 ILE HD13 H -9.497 -17.583 -1.749 1.00 . A A . 64 LEU HD13 1 1 7 1499 1 1 15 ILE N N -5.955 -17.624 0.339 1.00 . A A . 64 LEU N 1 1 7 1500 1 1 15 ILE O O -7.083 -19.316 -2.254 1.00 . A A . 64 LEU O 1 1 7 1501 1 1 16 LEU C C -4.546 -19.675 -3.561 1.00 . A A . 65 GLN C 1 1 7 1502 1 1 16 LEU CA C -5.212 -18.365 -3.867 1.00 . A A . 65 GLN CA 1 1 7 1503 1 1 16 LEU CB C -4.227 -17.502 -4.676 1.00 . A A . 65 GLN CB 1 1 7 1504 1 1 16 LEU CG C -4.909 -16.228 -5.244 1.00 . A A . 65 GLN CG 1 1 7 1505 1 1 16 LEU H H -5.247 -16.811 -2.393 1.00 . A A . 65 GLN H 1 1 7 1506 1 1 16 LEU HA H -6.097 -18.633 -4.411 1.00 . A A . 65 GLN HA 1 1 7 1507 1 1 16 LEU HB3 H -3.389 -17.243 -4.040 1.00 . A A . 65 GLN HB2 1 1 7 1508 1 1 16 LEU N N -5.650 -17.669 -2.649 1.00 . A A . 65 GLN N 1 1 7 1509 1 1 16 LEU O O -4.310 -20.410 -4.497 1.00 . A A . 65 GLN O 1 1 7 1510 1 1 17 GLN C C -4.684 -22.384 -2.125 1.00 . A A . 66 GLN C 1 1 7 1511 1 1 17 GLN CA C -3.599 -21.315 -2.133 1.00 . A A . 66 GLN CA 1 1 7 1512 1 1 17 GLN CB C -2.796 -21.303 -0.799 1.00 . A A . 66 GLN CB 1 1 7 1513 1 1 17 GLN CD C -1.405 -19.364 -1.740 1.00 . A A . 66 GLN CD 1 1 7 1514 1 1 17 GLN CG C -1.356 -20.740 -1.062 1.00 . A A . 66 GLN CG 1 1 7 1515 1 1 17 GLN H H -4.507 -19.385 -1.573 1.00 . A A . 66 GLN H 1 1 7 1516 1 1 17 GLN HA H -2.938 -21.507 -2.969 1.00 . A A . 66 GLN HA 1 1 7 1517 1 1 17 GLN HB3 H -3.290 -20.699 -0.053 1.00 . A A . 66 GLN HB2 1 1 7 1518 1 1 17 GLN HE21 H -0.949 -18.433 -0.086 1.00 . A A . 66 GLN HE21 1 1 7 1519 1 1 17 GLN HE22 H -1.225 -17.422 -1.436 1.00 . A A . 66 GLN HE22 1 1 7 1520 1 1 17 GLN HG3 H -0.851 -20.640 -0.111 1.00 . A A . 66 GLN HG2 1 1 7 1521 1 1 17 GLN N N -4.268 -19.986 -2.323 1.00 . A A . 66 GLN N 1 1 7 1522 1 1 17 GLN NE2 N -1.170 -18.312 -1.030 1.00 . A A . 66 GLN NE2 1 1 7 1523 1 1 17 GLN O O -4.461 -23.518 -2.501 1.00 . A A . 66 GLN O 1 1 7 1524 1 1 17 GLN OE1 O -1.657 -19.227 -2.918 1.00 . A A . 66 GLN OE1 1 1 7 1525 1 1 18 GLN C C -7.614 -22.991 -3.031 1.00 . A A . 67 LEU C 1 1 7 1526 1 1 18 GLN CA C -6.989 -22.941 -1.660 1.00 . A A . 67 LEU CA 1 1 7 1527 1 1 18 GLN CB C -7.984 -22.457 -0.616 1.00 . A A . 67 LEU CB 1 1 7 1528 1 1 18 GLN CG C -7.293 -22.495 0.764 1.00 . A A . 67 LEU CG 1 1 7 1529 1 1 18 GLN H H -5.985 -21.027 -1.455 1.00 . A A . 67 LEU H 1 1 7 1530 1 1 18 GLN HA H -6.621 -23.923 -1.421 1.00 . A A . 67 LEU HA 1 1 7 1531 1 1 18 GLN HB3 H -8.298 -21.445 -0.846 1.00 . A A . 67 LEU HB2 1 1 7 1532 1 1 18 GLN N N -5.853 -21.974 -1.715 1.00 . A A . 67 LEU N 1 1 7 1533 1 1 18 GLN O O -8.085 -24.008 -3.506 1.00 . A A . 67 LEU O 1 1 7 1534 1 1 19 LEU C C -7.217 -22.436 -5.974 1.00 . A A . 68 LEU C 1 1 7 1535 1 1 19 LEU CA C -8.170 -21.796 -5.004 1.00 . A A . 68 LEU CA 1 1 7 1536 1 1 19 LEU CB C -8.429 -20.326 -5.383 1.00 . A A . 68 LEU CB 1 1 7 1537 1 1 19 LEU CD1 C -9.788 -18.251 -4.988 1.00 . A A . 68 LEU CD1 1 1 7 1538 1 1 19 LEU CD2 C -10.959 -20.471 -5.055 1.00 . A A . 68 LEU CD2 1 1 7 1539 1 1 19 LEU CG C -9.651 -19.746 -4.617 1.00 . A A . 68 LEU CG 1 1 7 1540 1 1 19 LEU H H -7.202 -21.073 -3.214 1.00 . A A . 68 LEU H 1 1 7 1541 1 1 19 LEU HA H -9.029 -22.437 -5.018 1.00 . A A . 68 LEU HA 1 1 7 1542 1 1 19 LEU HB3 H -7.555 -19.758 -5.107 1.00 . A A . 68 LEU HB2 1 1 7 1543 1 1 19 LEU HD11 H -8.889 -17.713 -4.725 1.00 . A A . 68 LEU HD11 1 1 7 1544 1 1 19 LEU HD12 H -9.967 -18.130 -6.048 1.00 . A A . 68 LEU HD12 1 1 7 1545 1 1 19 LEU HD13 H -10.612 -17.808 -4.447 1.00 . A A . 68 LEU HD13 1 1 7 1546 1 1 19 LEU HD21 H -11.134 -20.340 -6.113 1.00 . A A . 68 LEU HD21 1 1 7 1547 1 1 19 LEU HD22 H -10.917 -21.530 -4.844 1.00 . A A . 68 LEU HD22 1 1 7 1548 1 1 19 LEU HD23 H -11.803 -20.061 -4.520 1.00 . A A . 68 LEU HD23 1 1 7 1549 1 1 19 LEU HG H -9.502 -19.846 -3.548 1.00 . A A . 68 LEU HG 1 1 7 1550 1 1 19 LEU N N -7.593 -21.854 -3.651 1.00 . A A . 68 LEU N 1 1 7 1551 1 1 19 LEU O O -7.671 -23.089 -6.887 1.00 . A A . 68 LEU O 1 1 7 1552 1 1 20 LEU C C -5.116 -24.378 -6.578 1.00 . A A . 69 PHE C 1 1 7 1553 1 1 20 LEU CA C -4.991 -22.899 -6.727 1.00 . A A . 69 PHE CA 1 1 7 1554 1 1 20 LEU CB C -3.527 -22.446 -6.402 1.00 . A A . 69 PHE CB 1 1 7 1555 1 1 20 LEU CD1 C -2.236 -23.832 -8.103 1.00 . A A . 69 PHE CD1 1 1 7 1556 1 1 20 LEU CD2 C -1.849 -24.253 -5.793 1.00 . A A . 69 PHE CD2 1 1 7 1557 1 1 20 LEU CG C -2.506 -23.541 -6.784 1.00 . A A . 69 PHE CG 1 1 7 1558 1 1 20 LEU H H -5.592 -21.767 -5.017 1.00 . A A . 69 PHE H 1 1 7 1559 1 1 20 LEU HA H -5.323 -22.675 -7.734 1.00 . A A . 69 PHE HA 1 1 7 1560 1 1 20 LEU HB3 H -3.286 -21.545 -6.945 1.00 . A A . 69 PHE HB2 1 1 7 1561 1 1 20 LEU N N -5.940 -22.274 -5.776 1.00 . A A . 69 PHE N 1 1 7 1562 1 1 20 LEU O O -5.018 -25.086 -7.558 1.00 . A A . 69 PHE O 1 1 7 1563 1 1 21 PHE C C -6.821 -26.734 -5.699 1.00 . A A . 70 ILE C 1 1 7 1564 1 1 21 PHE CA C -5.448 -26.292 -5.284 1.00 . A A . 70 ILE CA 1 1 7 1565 1 1 21 PHE CB C -5.084 -26.724 -3.839 1.00 . A A . 70 ILE CB 1 1 7 1566 1 1 21 PHE CD1 C -7.225 -26.907 -2.567 1.00 . A A . 70 ILE CD1 1 1 7 1567 1 1 21 PHE H H -5.466 -24.240 -4.601 1.00 . A A . 70 ILE H 1 1 7 1568 1 1 21 PHE HA H -4.744 -26.705 -5.951 1.00 . A A . 70 ILE HA 1 1 7 1569 1 1 21 PHE N N -5.348 -24.828 -5.378 1.00 . A A . 70 ILE N 1 1 7 1570 1 1 21 PHE O O -6.982 -27.811 -6.244 1.00 . A A . 70 ILE O 1 1 7 1571 1 1 22 ILE C C -9.213 -26.370 -7.386 1.00 . A A . 71 HIS C 1 1 7 1572 1 1 22 ILE CA C -9.158 -26.319 -5.867 1.00 . A A . 71 HIS CA 1 1 7 1573 1 1 22 ILE CB C -10.164 -25.316 -5.318 1.00 . A A . 71 HIS CB 1 1 7 1574 1 1 22 ILE H H -7.634 -25.010 -5.044 1.00 . A A . 71 HIS H 1 1 7 1575 1 1 22 ILE HA H -9.309 -27.315 -5.496 1.00 . A A . 71 HIS HA 1 1 7 1576 1 1 22 ILE HD11 H -11.974 -26.811 -3.807 1.00 . A A . 71 HIS HD1 1 1 7 1577 1 1 22 ILE HD12 H -11.972 -25.124 -7.598 1.00 . A A . 71 HIS HD2 1 1 7 1578 1 1 22 ILE N N -7.793 -25.892 -5.464 1.00 . A A . 71 HIS N 1 1 7 1579 1 1 22 ILE O O -9.815 -27.237 -7.987 1.00 . A A . 71 HIS O 1 1 7 1580 1 1 23 HIS C C -7.504 -26.259 -10.078 1.00 . A A . 72 PHE C 1 1 7 1581 1 1 23 HIS CA C -8.493 -25.292 -9.446 1.00 . A A . 72 PHE CA 1 1 7 1582 1 1 23 HIS CB C -8.115 -23.837 -9.835 1.00 . A A . 72 PHE CB 1 1 7 1583 1 1 23 HIS CD2 C -9.931 -23.077 -11.441 1.00 . A A . 72 PHE CD2 1 1 7 1584 1 1 23 HIS CE1 C -11.295 -21.767 -9.436 1.00 . A A . 72 PHE CE1 1 1 7 1585 1 1 23 HIS CG C -9.423 -23.091 -10.154 1.00 . A A . 72 PHE CG 1 1 7 1586 1 1 23 HIS H H -8.102 -24.783 -7.340 1.00 . A A . 72 PHE H 1 1 7 1587 1 1 23 HIS HA H -9.469 -25.542 -9.834 1.00 . A A . 72 PHE HA 1 1 7 1588 1 1 23 HIS HB3 H -7.621 -23.333 -9.027 1.00 . A A . 72 PHE HB2 1 1 7 1589 1 1 23 HIS HD1 H -9.724 -22.438 -8.147 1.00 . A A . 72 PHE HD1 1 1 7 1590 1 1 23 HIS HD2 H -9.408 -23.586 -12.240 1.00 . A A . 72 PHE HD2 1 1 7 1591 1 1 23 HIS HE1 H -11.829 -21.253 -8.648 1.00 . A A . 72 PHE HE1 1 1 7 1592 1 1 23 HIS N N -8.552 -25.409 -7.952 1.00 . A A . 72 PHE N 1 1 7 1593 1 1 23 HIS O O -7.779 -26.854 -11.100 1.00 . A A . 72 PHE O 1 1 7 1594 1 1 24 PHE C C -5.909 -28.758 -9.989 1.00 . A A . 73 ARG C 1 1 7 1595 1 1 24 PHE CA C -5.353 -27.331 -10.040 1.00 . A A . 73 ARG CA 1 1 7 1596 1 1 24 PHE CB C -4.044 -27.236 -9.223 1.00 . A A . 73 ARG CB 1 1 7 1597 1 1 24 PHE CG C -2.939 -28.107 -9.854 1.00 . A A . 73 ARG CG 1 1 7 1598 1 1 24 PHE CZ C -0.503 -28.939 -11.318 1.00 . A A . 73 ARG CZ 1 1 7 1599 1 1 24 PHE H H -6.185 -25.892 -8.646 1.00 . A A . 73 ARG H 1 1 7 1600 1 1 24 PHE HA H -5.194 -27.064 -11.074 1.00 . A A . 73 ARG HA 1 1 7 1601 1 1 24 PHE HB3 H -3.712 -26.208 -9.209 1.00 . A A . 73 ARG HB2 1 1 7 1602 1 1 24 PHE HD2 H -3.336 -27.351 -11.878 1.00 . A A . 73 ARG HD2 1 1 7 1603 1 1 24 PHE N N -6.365 -26.397 -9.466 1.00 . A A . 73 ARG N 1 1 7 1604 1 1 24 PHE O O -5.712 -29.522 -10.913 1.00 . A A . 73 ARG O 1 1 7 1605 1 1 25 ARG C C -8.578 -30.556 -9.407 1.00 . A A . 74 ILE C 1 1 7 1606 1 1 25 ARG CA C -7.162 -30.457 -8.793 1.00 . A A . 74 ILE CA 1 1 7 1607 1 1 25 ARG CB C -7.177 -30.815 -7.284 1.00 . A A . 74 ILE CB 1 1 7 1608 1 1 25 ARG H H -6.717 -28.456 -8.176 1.00 . A A . 74 ILE H 1 1 7 1609 1 1 25 ARG HA H -6.522 -31.148 -9.329 1.00 . A A . 74 ILE HA 1 1 7 1610 1 1 25 ARG N N -6.586 -29.087 -8.916 1.00 . A A . 74 ILE N 1 1 7 1611 1 1 25 ARG O O -8.877 -31.510 -10.100 1.00 . A A . 74 ILE O 1 1 7 1612 1 1 26 ILE C C -11.056 -28.521 -10.749 1.00 . A A . 75 GLY C 1 1 7 1613 1 1 26 ILE CA C -10.811 -29.594 -9.693 1.00 . A A . 75 GLY CA 1 1 7 1614 1 1 26 ILE H H -9.118 -28.830 -8.587 1.00 . A A . 75 GLY H 1 1 7 1615 1 1 26 ILE N N -9.410 -29.581 -9.147 1.00 . A A . 75 GLY N 1 1 7 1616 1 1 26 ILE O O -12.175 -28.161 -11.049 1.00 . A A . 75 GLY O 1 1 7 1617 1 1 27 GLY N N -10.058 -27.964 -11.358 1.00 . A A . 76 NH2 N 1 1 8 1618 1 1 1 ACE C C 8.252 1.901 5.434 1.00 . A A . 50 ACE C 1 1 8 1619 1 1 1 ACE CH3 C 9.346 0.895 5.779 1.00 . A A . 50 ACE CH3 1 1 8 1620 1 1 1 ACE O O 8.085 2.254 4.287 1.00 . A A . 50 ACE O 1 1 8 1621 1 1 2 TYR C C 4.065 -0.171 3.820 1.00 . A A . 51 GLY C 1 1 8 1622 1 1 2 TYR CA C 3.978 1.331 4.082 1.00 . A A . 51 GLY CA 1 1 8 1623 1 1 2 TYR H H 5.093 1.254 5.962 1.00 . A A . 51 GLY H 1 1 8 1624 1 1 2 TYR N N 4.906 1.796 5.172 1.00 . A A . 51 GLY N 1 1 8 1625 1 1 2 TYR O O 3.756 -0.650 2.747 1.00 . A A . 51 GLY O 1 1 8 1626 1 1 3 GLY C C 3.253 -2.987 5.069 1.00 . A A . 52 ASP C 1 1 8 1627 1 1 3 GLY CA C 4.605 -2.395 4.680 1.00 . A A . 52 ASP CA 1 1 8 1628 1 1 3 GLY H H 4.684 -0.489 5.670 1.00 . A A . 52 ASP H 1 1 8 1629 1 1 3 GLY N N 4.473 -0.908 4.815 1.00 . A A . 52 ASP N 1 1 8 1630 1 1 3 GLY O O 3.153 -3.875 5.891 1.00 . A A . 52 ASP O 1 1 8 1631 1 1 4 ASP C C 0.475 -4.173 3.992 1.00 . A A . 53 THR C 1 1 8 1632 1 1 4 ASP CA C 0.842 -2.926 4.720 1.00 . A A . 53 THR CA 1 1 8 1633 1 1 4 ASP CB C -0.083 -1.769 4.337 1.00 . A A . 53 THR CB 1 1 8 1634 1 1 4 ASP H H 2.341 -1.756 3.774 1.00 . A A . 53 THR H 1 1 8 1635 1 1 4 ASP HA H 0.791 -3.209 5.728 1.00 . A A . 53 THR HA 1 1 8 1636 1 1 4 ASP N N 2.232 -2.467 4.448 1.00 . A A . 53 THR N 1 1 8 1637 1 1 4 ASP O O -0.233 -5.053 4.446 1.00 . A A . 53 THR O 1 1 8 1638 1 1 5 THR C C 1.073 -6.705 2.509 1.00 . A A . 54 TRP C 1 1 8 1639 1 1 5 THR CA C 0.793 -5.318 1.918 1.00 . A A . 54 TRP CA 1 1 8 1640 1 1 5 THR CB C 1.645 -5.068 0.672 1.00 . A A . 54 TRP CB 1 1 8 1641 1 1 5 THR H H 1.565 -3.394 2.626 1.00 . A A . 54 TRP H 1 1 8 1642 1 1 5 THR HA H -0.261 -5.260 1.729 1.00 . A A . 54 TRP HA 1 1 8 1643 1 1 5 THR N N 1.020 -4.181 2.832 1.00 . A A . 54 TRP N 1 1 8 1644 1 1 5 THR O O 0.605 -7.706 1.998 1.00 . A A . 54 TRP O 1 1 8 1645 1 1 6 TRP C C 0.823 -8.646 4.744 1.00 . A A . 55 ALA C 1 1 8 1646 1 1 6 TRP CA C 2.138 -8.046 4.214 1.00 . A A . 55 ALA CA 1 1 8 1647 1 1 6 TRP CB C 3.128 -7.807 5.366 1.00 . A A . 55 ALA CB 1 1 8 1648 1 1 6 TRP H H 2.173 -5.891 3.939 1.00 . A A . 55 ALA H 1 1 8 1649 1 1 6 TRP HA H 2.535 -8.715 3.464 1.00 . A A . 55 ALA HA 1 1 8 1650 1 1 6 TRP HB2 H 4.044 -7.367 5.000 1.00 . A A . 55 ALA HB1 1 1 8 1651 1 1 6 TRP HB3 H 2.697 -7.149 6.107 1.00 . A A . 55 ALA HB2 1 1 8 1652 1 1 6 TRP N N 1.824 -6.732 3.574 1.00 . A A . 55 ALA N 1 1 8 1653 1 1 6 TRP O O 0.638 -9.849 4.793 1.00 . A A . 55 ALA O 1 1 8 1654 1 1 7 ALA C C -2.126 -8.794 4.482 1.00 . A A . 56 GLY C 1 1 8 1655 1 1 7 ALA CA C -1.388 -8.193 5.656 1.00 . A A . 56 GLY CA 1 1 8 1656 1 1 7 ALA H H 0.142 -6.799 5.024 1.00 . A A . 56 GLY H 1 1 8 1657 1 1 7 ALA N N -0.065 -7.757 5.117 1.00 . A A . 56 GLY N 1 1 8 1658 1 1 7 ALA O O -2.622 -9.898 4.543 1.00 . A A . 56 GLY O 1 1 8 1659 1 1 8 GLY C C -2.357 -9.873 1.815 1.00 . A A . 57 VAL C 1 1 8 1660 1 1 8 GLY CA C -2.844 -8.461 2.181 1.00 . A A . 57 VAL CA 1 1 8 1661 1 1 8 GLY H H -1.740 -7.152 3.445 1.00 . A A . 57 VAL H 1 1 8 1662 1 1 8 GLY N N -2.166 -8.031 3.427 1.00 . A A . 57 VAL N 1 1 8 1663 1 1 8 GLY O O -3.147 -10.776 1.617 1.00 . A A . 57 VAL O 1 1 8 1664 1 1 9 VAL C C -0.967 -12.479 2.302 1.00 . A A . 58 GLU C 1 1 8 1665 1 1 9 VAL CA C -0.468 -11.358 1.392 1.00 . A A . 58 GLU CA 1 1 8 1666 1 1 9 VAL CB C 1.082 -11.222 1.497 1.00 . A A . 58 GLU CB 1 1 8 1667 1 1 9 VAL H H -0.465 -9.261 1.909 1.00 . A A . 58 GLU H 1 1 8 1668 1 1 9 VAL HA H -0.823 -11.634 0.403 1.00 . A A . 58 GLU HA 1 1 8 1669 1 1 9 VAL N N -1.062 -10.026 1.739 1.00 . A A . 58 GLU N 1 1 8 1670 1 1 9 VAL O O -1.017 -13.622 1.892 1.00 . A A . 58 GLU O 1 1 8 1671 1 1 10 GLU C C -3.191 -13.717 3.945 1.00 . A A . 59 ALA C 1 1 8 1672 1 1 10 GLU CA C -1.830 -13.217 4.423 1.00 . A A . 59 ALA CA 1 1 8 1673 1 1 10 GLU CB C -1.947 -12.647 5.847 1.00 . A A . 59 ALA CB 1 1 8 1674 1 1 10 GLU H H -1.327 -11.197 3.778 1.00 . A A . 59 ALA H 1 1 8 1675 1 1 10 GLU HA H -1.134 -14.045 4.395 1.00 . A A . 59 ALA HA 1 1 8 1676 1 1 10 GLU HB2 H -0.989 -12.283 6.188 1.00 . A A . 59 ALA HB1 1 1 8 1677 1 1 10 GLU HB3 H -2.656 -11.831 5.873 1.00 . A A . 59 ALA HB2 1 1 8 1678 1 1 10 GLU N N -1.345 -12.142 3.501 1.00 . A A . 59 ALA N 1 1 8 1679 1 1 10 GLU O O -3.588 -14.834 4.195 1.00 . A A . 59 ALA O 1 1 8 1680 1 1 11 ALA C C -5.072 -13.996 1.436 1.00 . A A . 60 ILE C 1 1 8 1681 1 1 11 ALA CA C -5.216 -13.195 2.724 1.00 . A A . 60 ILE CA 1 1 8 1682 1 1 11 ALA CB C -5.989 -11.886 2.442 1.00 . A A . 60 ILE CB 1 1 8 1683 1 1 11 ALA H H -3.475 -11.970 3.074 1.00 . A A . 60 ILE H 1 1 8 1684 1 1 11 ALA HA H -5.722 -13.824 3.447 1.00 . A A . 60 ILE HA 1 1 8 1685 1 1 11 ALA N N -3.866 -12.854 3.251 1.00 . A A . 60 ILE N 1 1 8 1686 1 1 11 ALA O O -5.640 -15.061 1.279 1.00 . A A . 60 ILE O 1 1 8 1687 1 1 12 ILE C C -3.433 -15.486 -0.464 1.00 . A A . 61 ILE C 1 1 8 1688 1 1 12 ILE CA C -4.087 -14.134 -0.755 1.00 . A A . 61 ILE CA 1 1 8 1689 1 1 12 ILE CB C -3.240 -13.159 -1.634 1.00 . A A . 61 ILE CB 1 1 8 1690 1 1 12 ILE CD1 C -1.142 -14.279 -2.054 1.00 . A A . 61 ILE CD1 1 1 8 1691 1 1 12 ILE CG1 C -1.792 -13.160 -1.256 1.00 . A A . 61 ILE CG1 1 1 8 1692 1 1 12 ILE CG2 C -3.821 -11.726 -1.602 1.00 . A A . 61 ILE CG2 1 1 8 1693 1 1 12 ILE H H -3.837 -12.595 0.720 1.00 . A A . 61 ILE H 1 1 8 1694 1 1 12 ILE HA H -5.024 -14.329 -1.233 1.00 . A A . 61 ILE HA 1 1 8 1695 1 1 12 ILE HB H -3.280 -13.460 -2.655 1.00 . A A . 61 ILE HB 1 1 8 1696 1 1 12 ILE HD11 H -1.595 -15.234 -1.853 1.00 . A A . 61 ILE HD11 1 1 8 1697 1 1 12 ILE HD12 H -1.254 -14.056 -3.103 1.00 . A A . 61 ILE HD12 1 1 8 1698 1 1 12 ILE HD13 H -0.103 -14.335 -1.806 1.00 . A A . 61 ILE HD13 1 1 8 1699 1 1 12 ILE HG13 H -1.337 -12.216 -1.505 1.00 . A A . 61 ILE HG12 1 1 8 1700 1 1 12 ILE HG21 H -4.838 -11.731 -1.968 1.00 . A A . 61 ILE HG21 1 1 8 1701 1 1 12 ILE HG22 H -3.817 -11.304 -0.609 1.00 . A A . 61 ILE HG22 1 1 8 1702 1 1 12 ILE HG23 H -3.237 -11.080 -2.242 1.00 . A A . 61 ILE HG23 1 1 8 1703 1 1 12 ILE N N -4.292 -13.447 0.542 1.00 . A A . 61 ILE N 1 1 8 1704 1 1 12 ILE O O -3.708 -16.445 -1.158 1.00 . A A . 61 ILE O 1 1 8 1705 1 1 13 ILE C C -2.971 -17.910 1.181 1.00 . A A . 62 ARG C 1 1 8 1706 1 1 13 ILE CA C -1.917 -16.816 0.910 1.00 . A A . 62 ARG CA 1 1 8 1707 1 1 13 ILE CB C -1.058 -16.532 2.134 1.00 . A A . 62 ARG CB 1 1 8 1708 1 1 13 ILE H H -2.381 -14.737 1.080 1.00 . A A . 62 ARG H 1 1 8 1709 1 1 13 ILE HA H -1.227 -17.136 0.147 1.00 . A A . 62 ARG HA 1 1 8 1710 1 1 13 ILE HD12 H 1.181 -16.593 3.323 1.00 . A A . 62 ARG HD2 1 1 8 1711 1 1 13 ILE HD13 H 1.382 -18.323 3.665 1.00 . A A . 62 ARG HD3 1 1 8 1712 1 1 13 ILE N N -2.593 -15.538 0.544 1.00 . A A . 62 ARG N 1 1 8 1713 1 1 13 ILE O O -2.659 -19.082 1.163 1.00 . A A . 62 ARG O 1 1 8 1714 1 1 14 ARG C C -6.347 -18.494 0.591 1.00 . A A . 63 ILE C 1 1 8 1715 1 1 14 ARG CA C -5.270 -18.506 1.696 1.00 . A A . 63 ILE CA 1 1 8 1716 1 1 14 ARG CB C -5.844 -18.150 3.105 1.00 . A A . 63 ILE CB 1 1 8 1717 1 1 14 ARG H H -4.421 -16.560 1.454 1.00 . A A . 63 ILE H 1 1 8 1718 1 1 14 ARG HA H -4.842 -19.497 1.737 1.00 . A A . 63 ILE HA 1 1 8 1719 1 1 14 ARG N N -4.193 -17.514 1.430 1.00 . A A . 63 ILE N 1 1 8 1720 1 1 14 ARG O O -6.684 -19.504 0.011 1.00 . A A . 63 ILE O 1 1 8 1721 1 1 15 ILE C C -7.624 -17.828 -1.978 1.00 . A A . 64 LEU C 1 1 8 1722 1 1 15 ILE CA C -7.894 -17.068 -0.695 1.00 . A A . 64 LEU CA 1 1 8 1723 1 1 15 ILE CB C -7.932 -15.514 -0.877 1.00 . A A . 64 LEU CB 1 1 8 1724 1 1 15 ILE CD1 C -10.375 -15.255 -1.515 1.00 . A A . 64 LEU CD1 1 1 8 1725 1 1 15 ILE H H -6.459 -16.566 0.795 1.00 . A A . 64 LEU H 1 1 8 1726 1 1 15 ILE HA H -8.824 -17.433 -0.305 1.00 . A A . 64 LEU HA 1 1 8 1727 1 1 15 ILE HD11 H -10.578 -14.686 -0.618 1.00 . A A . 64 LEU HD11 1 1 8 1728 1 1 15 ILE HD12 H -11.053 -14.925 -2.289 1.00 . A A . 64 LEU HD12 1 1 8 1729 1 1 15 ILE HD13 H -10.573 -16.297 -1.314 1.00 . A A . 64 LEU HD13 1 1 8 1730 1 1 15 ILE N N -6.834 -17.322 0.318 1.00 . A A . 64 LEU N 1 1 8 1731 1 1 15 ILE O O -8.121 -18.916 -2.207 1.00 . A A . 64 LEU O 1 1 8 1732 1 1 16 LEU C C -5.504 -19.004 -3.812 1.00 . A A . 65 GLN C 1 1 8 1733 1 1 16 LEU CA C -6.515 -17.920 -4.067 1.00 . A A . 65 GLN CA 1 1 8 1734 1 1 16 LEU CB C -5.934 -16.926 -5.079 1.00 . A A . 65 GLN CB 1 1 8 1735 1 1 16 LEU CG C -6.827 -15.671 -5.270 1.00 . A A . 65 GLN CG 1 1 8 1736 1 1 16 LEU H H -6.415 -16.370 -2.596 1.00 . A A . 65 GLN H 1 1 8 1737 1 1 16 LEU HA H -7.403 -18.435 -4.390 1.00 . A A . 65 GLN HA 1 1 8 1738 1 1 16 LEU HB3 H -4.934 -16.660 -4.774 1.00 . A A . 65 GLN HB2 1 1 8 1739 1 1 16 LEU N N -6.817 -17.235 -2.802 1.00 . A A . 65 GLN N 1 1 8 1740 1 1 16 LEU O O -5.149 -19.673 -4.763 1.00 . A A . 65 GLN O 1 1 8 1741 1 1 17 GLN C C -4.780 -21.621 -2.324 1.00 . A A . 66 GLN C 1 1 8 1742 1 1 17 GLN CA C -4.058 -20.305 -2.484 1.00 . A A . 66 GLN CA 1 1 8 1743 1 1 17 GLN CB C -3.166 -20.082 -1.291 1.00 . A A . 66 GLN CB 1 1 8 1744 1 1 17 GLN CD C -0.803 -20.579 -0.577 1.00 . A A . 66 GLN CD 1 1 8 1745 1 1 17 GLN CG C -1.983 -21.086 -1.387 1.00 . A A . 66 GLN CG 1 1 8 1746 1 1 17 GLN H H -5.393 -18.684 -1.804 1.00 . A A . 66 GLN H 1 1 8 1747 1 1 17 GLN HA H -3.456 -20.340 -3.381 1.00 . A A . 66 GLN HA 1 1 8 1748 1 1 17 GLN HB3 H -2.833 -19.056 -1.241 1.00 . A A . 66 GLN HB2 1 1 8 1749 1 1 17 GLN HE21 H -0.718 -18.884 -1.596 1.00 . A A . 66 GLN HE21 1 1 8 1750 1 1 17 GLN HE22 H 0.444 -19.074 -0.365 1.00 . A A . 66 GLN HE22 1 1 8 1751 1 1 17 GLN HG3 H -2.279 -22.044 -0.980 1.00 . A A . 66 GLN HG2 1 1 8 1752 1 1 17 GLN N N -5.066 -19.205 -2.593 1.00 . A A . 66 GLN N 1 1 8 1753 1 1 17 GLN NE2 N -0.319 -19.410 -0.873 1.00 . A A . 66 GLN NE2 1 1 8 1754 1 1 17 GLN O O -4.294 -22.661 -2.722 1.00 . A A . 66 GLN O 1 1 8 1755 1 1 17 GLN OE1 O -0.309 -21.226 0.318 1.00 . A A . 66 GLN OE1 1 1 8 1756 1 1 18 GLN C C -7.486 -23.014 -2.823 1.00 . A A . 67 LEU C 1 1 8 1757 1 1 18 GLN CA C -6.747 -22.758 -1.539 1.00 . A A . 67 LEU CA 1 1 8 1758 1 1 18 GLN CB C -7.685 -22.512 -0.363 1.00 . A A . 67 LEU CB 1 1 8 1759 1 1 18 GLN CG C -6.830 -22.306 0.923 1.00 . A A . 67 LEU CG 1 1 8 1760 1 1 18 GLN H H -6.298 -20.639 -1.489 1.00 . A A . 67 LEU H 1 1 8 1761 1 1 18 GLN HA H -6.090 -23.589 -1.350 1.00 . A A . 67 LEU HA 1 1 8 1762 1 1 18 GLN HB3 H -8.281 -21.630 -0.554 1.00 . A A . 67 LEU HB2 1 1 8 1763 1 1 18 GLN N N -5.947 -21.524 -1.755 1.00 . A A . 67 LEU N 1 1 8 1764 1 1 18 GLN O O -7.748 -24.135 -3.212 1.00 . A A . 67 LEU O 1 1 8 1765 1 1 19 LEU C C -7.551 -22.536 -5.796 1.00 . A A . 68 LEU C 1 1 8 1766 1 1 19 LEU CA C -8.526 -22.075 -4.747 1.00 . A A . 68 LEU CA 1 1 8 1767 1 1 19 LEU CB C -9.134 -20.713 -5.121 1.00 . A A . 68 LEU CB 1 1 8 1768 1 1 19 LEU CD1 C -10.650 -18.828 -4.377 1.00 . A A . 68 LEU CD1 1 1 8 1769 1 1 19 LEU CD2 C -11.454 -21.199 -4.177 1.00 . A A . 68 LEU CD2 1 1 8 1770 1 1 19 LEU CG C -10.207 -20.280 -4.079 1.00 . A A . 68 LEU CG 1 1 8 1771 1 1 19 LEU H H -7.567 -21.066 -3.111 1.00 . A A . 68 LEU H 1 1 8 1772 1 1 19 LEU HA H -9.223 -22.884 -4.652 1.00 . A A . 68 LEU HA 1 1 8 1773 1 1 19 LEU HB3 H -8.340 -19.988 -5.164 1.00 . A A . 68 LEU HB2 1 1 8 1774 1 1 19 LEU HD11 H -11.067 -18.745 -5.370 1.00 . A A . 68 LEU HD11 1 1 8 1775 1 1 19 LEU HD12 H -11.402 -18.514 -3.665 1.00 . A A . 68 LEU HD12 1 1 8 1776 1 1 19 LEU HD13 H -9.810 -18.154 -4.295 1.00 . A A . 68 LEU HD13 1 1 8 1777 1 1 19 LEU HD21 H -11.889 -21.147 -5.165 1.00 . A A . 68 LEU HD21 1 1 8 1778 1 1 19 LEU HD22 H -11.193 -22.226 -3.966 1.00 . A A . 68 LEU HD22 1 1 8 1779 1 1 19 LEU HD23 H -12.196 -20.887 -3.457 1.00 . A A . 68 LEU HD23 1 1 8 1780 1 1 19 LEU HG H -9.804 -20.330 -3.077 1.00 . A A . 68 LEU HG 1 1 8 1781 1 1 19 LEU N N -7.804 -21.939 -3.472 1.00 . A A . 68 LEU N 1 1 8 1782 1 1 19 LEU O O -7.902 -23.388 -6.583 1.00 . A A . 68 LEU O 1 1 8 1783 1 1 20 LEU C C -5.114 -23.904 -6.619 1.00 . A A . 69 PHE C 1 1 8 1784 1 1 20 LEU CA C -5.394 -22.457 -6.828 1.00 . A A . 69 PHE CA 1 1 8 1785 1 1 20 LEU CB C -4.081 -21.628 -6.702 1.00 . A A . 69 PHE CB 1 1 8 1786 1 1 20 LEU CD1 C -2.706 -22.728 -8.536 1.00 . A A . 69 PHE CD1 1 1 8 1787 1 1 20 LEU CD2 C -1.927 -22.896 -6.289 1.00 . A A . 69 PHE CD2 1 1 8 1788 1 1 20 LEU CG C -2.867 -22.439 -7.197 1.00 . A A . 69 PHE CG 1 1 8 1789 1 1 20 LEU H H -6.065 -21.366 -5.136 1.00 . A A . 69 PHE H 1 1 8 1790 1 1 20 LEU HA H -5.886 -22.394 -7.791 1.00 . A A . 69 PHE HA 1 1 8 1791 1 1 20 LEU HB3 H -4.152 -20.718 -7.280 1.00 . A A . 69 PHE HB2 1 1 8 1792 1 1 20 LEU N N -6.356 -22.018 -5.798 1.00 . A A . 69 PHE N 1 1 8 1793 1 1 20 LEU O O -4.912 -24.600 -7.592 1.00 . A A . 69 PHE O 1 1 8 1794 1 1 21 PHE C C -6.081 -26.594 -5.437 1.00 . A A . 70 ILE C 1 1 8 1795 1 1 21 PHE CA C -4.831 -25.781 -5.254 1.00 . A A . 70 ILE CA 1 1 8 1796 1 1 21 PHE CB C -4.166 -26.025 -3.885 1.00 . A A . 70 ILE CB 1 1 8 1797 1 1 21 PHE CD1 C -5.949 -26.685 -2.282 1.00 . A A . 70 ILE CD1 1 1 8 1798 1 1 21 PHE H H -5.325 -23.774 -4.621 1.00 . A A . 70 ILE H 1 1 8 1799 1 1 21 PHE HA H -4.151 -26.033 -6.018 1.00 . A A . 70 ILE HA 1 1 8 1800 1 1 21 PHE N N -5.124 -24.344 -5.392 1.00 . A A . 70 ILE N 1 1 8 1801 1 1 21 PHE O O -6.021 -27.726 -5.876 1.00 . A A . 70 ILE O 1 1 8 1802 1 1 22 ILE C C -8.603 -27.015 -6.814 1.00 . A A . 71 HIS C 1 1 8 1803 1 1 22 ILE CA C -8.444 -26.820 -5.303 1.00 . A A . 71 HIS CA 1 1 8 1804 1 1 22 ILE CB C -9.657 -26.060 -4.710 1.00 . A A . 71 HIS CB 1 1 8 1805 1 1 22 ILE H H -7.211 -25.075 -4.778 1.00 . A A . 71 HIS H 1 1 8 1806 1 1 22 ILE HA H -8.281 -27.779 -4.855 1.00 . A A . 71 HIS HA 1 1 8 1807 1 1 22 ILE HD11 H -11.946 -25.888 -3.148 1.00 . A A . 71 HIS HD1 1 1 8 1808 1 1 22 ILE HD12 H -10.447 -28.756 -5.746 1.00 . A A . 71 HIS HD2 1 1 8 1809 1 1 22 ILE N N -7.203 -26.006 -5.118 1.00 . A A . 71 HIS N 1 1 8 1810 1 1 22 ILE O O -8.933 -28.074 -7.322 1.00 . A A . 71 HIS O 1 1 8 1811 1 1 23 HIS C C -7.281 -26.625 -9.662 1.00 . A A . 72 PHE C 1 1 8 1812 1 1 23 HIS CA C -8.412 -25.884 -8.966 1.00 . A A . 72 PHE CA 1 1 8 1813 1 1 23 HIS CB C -8.428 -24.399 -9.422 1.00 . A A . 72 PHE CB 1 1 8 1814 1 1 23 HIS CD2 C -10.551 -24.021 -10.746 1.00 . A A . 72 PHE CD2 1 1 8 1815 1 1 23 HIS CE1 C -11.918 -23.158 -8.513 1.00 . A A . 72 PHE CE1 1 1 8 1816 1 1 23 HIS CG C -9.900 -23.967 -9.526 1.00 . A A . 72 PHE CG 1 1 8 1817 1 1 23 HIS H H -8.053 -25.155 -6.934 1.00 . A A . 72 PHE H 1 1 8 1818 1 1 23 HIS HA H -9.331 -26.369 -9.256 1.00 . A A . 72 PHE HA 1 1 8 1819 1 1 23 HIS HB3 H -7.939 -23.768 -8.706 1.00 . A A . 72 PHE HB2 1 1 8 1820 1 1 23 HIS HD1 H -10.093 -23.489 -7.455 1.00 . A A . 72 PHE HD1 1 1 8 1821 1 1 23 HIS HD2 H -10.021 -24.360 -11.626 1.00 . A A . 72 PHE HD2 1 1 8 1822 1 1 23 HIS HE1 H -12.452 -22.818 -7.636 1.00 . A A . 72 PHE HE1 1 1 8 1823 1 1 23 HIS N N -8.325 -25.931 -7.474 1.00 . A A . 72 PHE N 1 1 8 1824 1 1 23 HIS O O -7.532 -27.414 -10.549 1.00 . A A . 72 PHE O 1 1 8 1825 1 1 24 PHE C C -5.100 -28.560 -9.857 1.00 . A A . 73 ARG C 1 1 8 1826 1 1 24 PHE CA C -4.899 -27.045 -9.885 1.00 . A A . 73 ARG CA 1 1 8 1827 1 1 24 PHE CB C -3.593 -26.674 -9.126 1.00 . A A . 73 ARG CB 1 1 8 1828 1 1 24 PHE CG C -2.365 -27.405 -9.737 1.00 . A A . 73 ARG CG 1 1 8 1829 1 1 24 PHE CZ C -1.404 -28.460 -12.944 1.00 . A A . 73 ARG CZ 1 1 8 1830 1 1 24 PHE H H -5.947 -25.714 -8.524 1.00 . A A . 73 ARG H 1 1 8 1831 1 1 24 PHE HA H -4.851 -26.729 -10.916 1.00 . A A . 73 ARG HA 1 1 8 1832 1 1 24 PHE HB3 H -3.430 -25.609 -9.196 1.00 . A A . 73 ARG HB2 1 1 8 1833 1 1 24 PHE HD2 H -3.015 -26.941 -11.778 1.00 . A A . 73 ARG HD2 1 1 8 1834 1 1 24 PHE N N -6.072 -26.361 -9.249 1.00 . A A . 73 ARG N 1 1 8 1835 1 1 24 PHE O O -4.762 -29.244 -10.806 1.00 . A A . 73 ARG O 1 1 8 1836 1 1 25 ARG C C -7.160 -30.868 -9.396 1.00 . A A . 74 ILE C 1 1 8 1837 1 1 25 ARG CA C -5.878 -30.498 -8.633 1.00 . A A . 74 ILE CA 1 1 8 1838 1 1 25 ARG CB C -5.993 -30.814 -7.124 1.00 . A A . 74 ILE CB 1 1 8 1839 1 1 25 ARG H H -5.863 -28.444 -8.016 1.00 . A A . 74 ILE H 1 1 8 1840 1 1 25 ARG HA H -5.051 -31.034 -9.078 1.00 . A A . 74 ILE HA 1 1 8 1841 1 1 25 ARG N N -5.631 -29.037 -8.763 1.00 . A A . 74 ILE N 1 1 8 1842 1 1 25 ARG O O -7.202 -31.878 -10.073 1.00 . A A . 74 ILE O 1 1 8 1843 1 1 26 ILE C C -10.478 -30.902 -8.990 1.00 . A A . 75 GLY C 1 1 8 1844 1 1 26 ILE CA C -9.462 -30.306 -9.964 1.00 . A A . 75 GLY CA 1 1 8 1845 1 1 26 ILE H H -8.068 -29.239 -8.701 1.00 . A A . 75 GLY H 1 1 8 1846 1 1 26 ILE N N -8.164 -30.040 -9.262 1.00 . A A . 75 GLY N 1 1 8 1847 1 1 26 ILE O O -11.196 -31.834 -9.288 1.00 . A A . 75 GLY O 1 1 8 1848 1 1 27 GLY N N -10.576 -30.392 -7.801 1.00 . A A . 76 NH2 N 1 1 9 1849 1 1 1 ACE C C 2.523 3.088 4.404 1.00 . A A . 50 ACE C 1 1 9 1850 1 1 1 ACE CH3 C 1.260 3.253 5.242 1.00 . A A . 50 ACE CH3 1 1 9 1851 1 1 1 ACE O O 2.507 3.328 3.213 1.00 . A A . 50 ACE O 1 1 9 1852 1 1 2 TYR C C 3.684 -1.555 2.570 1.00 . A A . 51 GLY C 1 1 9 1853 1 1 2 TYR CA C 3.664 -0.209 1.822 1.00 . A A . 51 GLY CA 1 1 9 1854 1 1 2 TYR H H 3.255 1.792 2.531 1.00 . A A . 51 GLY H 1 1 9 1855 1 1 2 TYR N N 3.865 1.032 2.652 1.00 . A A . 51 GLY N 1 1 9 1856 1 1 2 TYR O O 3.572 -2.601 1.962 1.00 . A A . 51 GLY O 1 1 9 1857 1 1 3 GLY C C 2.417 -3.314 4.793 1.00 . A A . 52 ASP C 1 1 9 1858 1 1 3 GLY CA C 3.839 -2.804 4.651 1.00 . A A . 52 ASP CA 1 1 9 1859 1 1 3 GLY H H 3.864 -0.679 4.334 1.00 . A A . 52 ASP H 1 1 9 1860 1 1 3 GLY N N 3.804 -1.533 3.867 1.00 . A A . 52 ASP N 1 1 9 1861 1 1 3 GLY O O 2.161 -4.373 5.331 1.00 . A A . 52 ASP O 1 1 9 1862 1 1 4 ASP C C -0.110 -4.186 3.634 1.00 . A A . 53 THR C 1 1 9 1863 1 1 4 ASP CA C 0.075 -2.888 4.336 1.00 . A A . 53 THR CA 1 1 9 1864 1 1 4 ASP CB C -0.697 -1.744 3.663 1.00 . A A . 53 THR CB 1 1 9 1865 1 1 4 ASP H H 1.724 -1.710 3.809 1.00 . A A . 53 THR H 1 1 9 1866 1 1 4 ASP HA H -0.142 -3.065 5.343 1.00 . A A . 53 THR HA 1 1 9 1867 1 1 4 ASP N N 1.507 -2.538 4.275 1.00 . A A . 53 THR N 1 1 9 1868 1 1 4 ASP O O -0.835 -5.090 4.008 1.00 . A A . 53 THR O 1 1 9 1869 1 1 5 THR C C 1.068 -6.632 2.445 1.00 . A A . 54 TRP C 1 1 9 1870 1 1 5 THR CA C 0.651 -5.348 1.707 1.00 . A A . 54 TRP CA 1 1 9 1871 1 1 5 THR CB C 1.584 -5.011 0.528 1.00 . A A . 54 TRP CB 1 1 9 1872 1 1 5 THR H H 1.169 -3.370 2.443 1.00 . A A . 54 TRP H 1 1 9 1873 1 1 5 THR HA H -0.373 -5.417 1.419 1.00 . A A . 54 TRP HA 1 1 9 1874 1 1 5 THR N N 0.639 -4.183 2.588 1.00 . A A . 54 TRP N 1 1 9 1875 1 1 5 THR O O 0.792 -7.730 1.994 1.00 . A A . 54 TRP O 1 1 9 1876 1 1 6 TRP C C 0.878 -8.350 4.879 1.00 . A A . 55 ALA C 1 1 9 1877 1 1 6 TRP CA C 2.146 -7.664 4.352 1.00 . A A . 55 ALA CA 1 1 9 1878 1 1 6 TRP CB C 3.037 -7.212 5.521 1.00 . A A . 55 ALA CB 1 1 9 1879 1 1 6 TRP H H 1.901 -5.560 3.905 1.00 . A A . 55 ALA H 1 1 9 1880 1 1 6 TRP HA H 2.659 -8.352 3.694 1.00 . A A . 55 ALA HA 1 1 9 1881 1 1 6 TRP HB2 H 3.910 -6.692 5.155 1.00 . A A . 55 ALA HB1 1 1 9 1882 1 1 6 TRP HB3 H 2.491 -6.555 6.183 1.00 . A A . 55 ALA HB2 1 1 9 1883 1 1 6 TRP N N 1.711 -6.465 3.572 1.00 . A A . 55 ALA N 1 1 9 1884 1 1 6 TRP O O 0.812 -9.557 5.009 1.00 . A A . 55 ALA O 1 1 9 1885 1 1 7 ALA C C -2.089 -8.651 4.469 1.00 . A A . 56 GLY C 1 1 9 1886 1 1 7 ALA CA C -1.404 -8.057 5.677 1.00 . A A . 56 GLY CA 1 1 9 1887 1 1 7 ALA H H 0.003 -6.580 5.010 1.00 . A A . 56 GLY H 1 1 9 1888 1 1 7 ALA N N -0.108 -7.540 5.158 1.00 . A A . 56 GLY N 1 1 9 1889 1 1 7 ALA O O -2.649 -9.727 4.531 1.00 . A A . 56 GLY O 1 1 9 1890 1 1 8 GLY C C -2.157 -9.839 1.829 1.00 . A A . 57 VAL C 1 1 9 1891 1 1 8 GLY CA C -2.648 -8.411 2.127 1.00 . A A . 57 VAL CA 1 1 9 1892 1 1 8 GLY H H -1.555 -7.067 3.376 1.00 . A A . 57 VAL H 1 1 9 1893 1 1 8 GLY N N -2.020 -7.930 3.381 1.00 . A A . 57 VAL N 1 1 9 1894 1 1 8 GLY O O -2.943 -10.712 1.502 1.00 . A A . 57 VAL O 1 1 9 1895 1 1 9 VAL C C -1.031 -12.472 2.594 1.00 . A A . 58 GLU C 1 1 9 1896 1 1 9 VAL CA C -0.396 -11.448 1.662 1.00 . A A . 58 GLU CA 1 1 9 1897 1 1 9 VAL CB C 1.130 -11.568 1.831 1.00 . A A . 58 GLU CB 1 1 9 1898 1 1 9 VAL H H -0.249 -9.343 2.211 1.00 . A A . 58 GLU H 1 1 9 1899 1 1 9 VAL HA H -0.720 -11.697 0.660 1.00 . A A . 58 GLU HA 1 1 9 1900 1 1 9 VAL N N -0.873 -10.060 1.947 1.00 . A A . 58 GLU N 1 1 9 1901 1 1 9 VAL O O -1.131 -13.633 2.249 1.00 . A A . 58 GLU O 1 1 9 1902 1 1 10 GLU C C -3.426 -13.518 4.105 1.00 . A A . 59 ALA C 1 1 9 1903 1 1 10 GLU CA C -2.085 -13.045 4.669 1.00 . A A . 59 ALA CA 1 1 9 1904 1 1 10 GLU CB C -2.268 -12.376 6.049 1.00 . A A . 59 ALA CB 1 1 9 1905 1 1 10 GLU H H -1.403 -11.091 3.974 1.00 . A A . 59 ALA H 1 1 9 1906 1 1 10 GLU HA H -1.438 -13.911 4.711 1.00 . A A . 59 ALA HA 1 1 9 1907 1 1 10 GLU HB2 H -1.312 -12.048 6.433 1.00 . A A . 59 ALA HB1 1 1 9 1908 1 1 10 GLU HB3 H -2.917 -11.515 5.970 1.00 . A A . 59 ALA HB2 1 1 9 1909 1 1 10 GLU N N -1.468 -12.045 3.742 1.00 . A A . 59 ALA N 1 1 9 1910 1 1 10 GLU O O -3.983 -14.507 4.536 1.00 . A A . 59 ALA O 1 1 9 1911 1 1 11 ALA C C -4.911 -14.014 1.290 1.00 . A A . 60 ILE C 1 1 9 1912 1 1 11 ALA CA C -5.195 -13.102 2.486 1.00 . A A . 60 ILE CA 1 1 9 1913 1 1 11 ALA CB C -5.841 -11.769 2.029 1.00 . A A . 60 ILE CB 1 1 9 1914 1 1 11 ALA H H -3.390 -11.996 2.848 1.00 . A A . 60 ILE H 1 1 9 1915 1 1 11 ALA HA H -5.820 -13.653 3.178 1.00 . A A . 60 ILE HA 1 1 9 1916 1 1 11 ALA N N -3.902 -12.781 3.144 1.00 . A A . 60 ILE N 1 1 9 1917 1 1 11 ALA O O -5.411 -15.117 1.169 1.00 . A A . 60 ILE O 1 1 9 1918 1 1 12 ILE C C -3.119 -15.605 -0.359 1.00 . A A . 61 ILE C 1 1 9 1919 1 1 12 ILE CA C -3.709 -14.269 -0.789 1.00 . A A . 61 ILE CA 1 1 9 1920 1 1 12 ILE CB C -2.728 -13.373 -1.614 1.00 . A A . 61 ILE CB 1 1 9 1921 1 1 12 ILE CD1 C -0.569 -14.536 -1.544 1.00 . A A . 61 ILE CD1 1 1 9 1922 1 1 12 ILE CG1 C -1.352 -13.341 -1.014 1.00 . A A . 61 ILE CG1 1 1 9 1923 1 1 12 ILE CG2 C -3.284 -11.929 -1.769 1.00 . A A . 61 ILE CG2 1 1 9 1924 1 1 12 ILE H H -3.668 -12.624 0.577 1.00 . A A . 61 ILE H 1 1 9 1925 1 1 12 ILE HA H -4.558 -14.468 -1.405 1.00 . A A . 61 ILE HA 1 1 9 1926 1 1 12 ILE HB H -2.619 -13.769 -2.600 1.00 . A A . 61 ILE HB 1 1 9 1927 1 1 12 ILE HD11 H -1.038 -15.477 -1.316 1.00 . A A . 61 ILE HD11 1 1 9 1928 1 1 12 ILE HD12 H -0.497 -14.447 -2.617 1.00 . A A . 61 ILE HD12 1 1 9 1929 1 1 12 ILE HD13 H 0.408 -14.519 -1.098 1.00 . A A . 61 ILE HD13 1 1 9 1930 1 1 12 ILE HG13 H -0.849 -12.426 -1.284 1.00 . A A . 61 ILE HG12 1 1 9 1931 1 1 12 ILE HG21 H -4.243 -11.949 -2.267 1.00 . A A . 61 ILE HG21 1 1 9 1932 1 1 12 ILE HG22 H -3.404 -11.433 -0.820 1.00 . A A . 61 ILE HG22 1 1 9 1933 1 1 12 ILE HG23 H -2.611 -11.337 -2.374 1.00 . A A . 61 ILE HG23 1 1 9 1934 1 1 12 ILE N N -4.073 -13.505 0.426 1.00 . A A . 61 ILE N 1 1 9 1935 1 1 12 ILE O O -3.360 -16.601 -1.016 1.00 . A A . 61 ILE O 1 1 9 1936 1 1 13 ILE C C -2.843 -17.943 1.537 1.00 . A A . 62 ARG C 1 1 9 1937 1 1 13 ILE CA C -1.791 -16.916 1.163 1.00 . A A . 62 ARG CA 1 1 9 1938 1 1 13 ILE CB C -0.858 -16.682 2.352 1.00 . A A . 62 ARG CB 1 1 9 1939 1 1 13 ILE H H -2.200 -14.812 1.261 1.00 . A A . 62 ARG H 1 1 9 1940 1 1 13 ILE HA H -1.188 -17.305 0.362 1.00 . A A . 62 ARG HA 1 1 9 1941 1 1 13 ILE HD12 H 1.362 -15.521 3.580 1.00 . A A . 62 ARG HD2 1 1 9 1942 1 1 13 ILE HD13 H 1.569 -17.250 3.241 1.00 . A A . 62 ARG HD3 1 1 9 1943 1 1 13 ILE N N -2.379 -15.623 0.726 1.00 . A A . 62 ARG N 1 1 9 1944 1 1 13 ILE O O -2.526 -19.108 1.662 1.00 . A A . 62 ARG O 1 1 9 1945 1 1 14 ARG C C -6.371 -18.358 1.218 1.00 . A A . 63 ILE C 1 1 9 1946 1 1 14 ARG CA C -5.114 -18.501 2.078 1.00 . A A . 63 ILE CA 1 1 9 1947 1 1 14 ARG CB C -5.353 -18.287 3.586 1.00 . A A . 63 ILE CB 1 1 9 1948 1 1 14 ARG H H -4.304 -16.565 1.634 1.00 . A A . 63 ILE H 1 1 9 1949 1 1 14 ARG HA H -4.741 -19.498 1.900 1.00 . A A . 63 ILE HA 1 1 9 1950 1 1 14 ARG N N -4.065 -17.514 1.717 1.00 . A A . 63 ILE N 1 1 9 1951 1 1 14 ARG O O -7.360 -19.033 1.408 1.00 . A A . 63 ILE O 1 1 9 1952 1 1 15 ILE C C -7.074 -17.989 -1.902 1.00 . A A . 64 LEU C 1 1 9 1953 1 1 15 ILE CA C -7.430 -17.227 -0.637 1.00 . A A . 64 LEU CA 1 1 9 1954 1 1 15 ILE CB C -7.552 -15.697 -0.841 1.00 . A A . 64 LEU CB 1 1 9 1955 1 1 15 ILE CD1 C -10.023 -15.868 -1.479 1.00 . A A . 64 LEU CD1 1 1 9 1956 1 1 15 ILE H H -5.466 -16.943 0.181 1.00 . A A . 64 LEU H 1 1 9 1957 1 1 15 ILE HA H -8.329 -17.654 -0.239 1.00 . A A . 64 LEU HA 1 1 9 1958 1 1 15 ILE HD11 H -10.320 -15.406 -0.549 1.00 . A A . 64 LEU HD11 1 1 9 1959 1 1 15 ILE HD12 H -10.746 -15.607 -2.238 1.00 . A A . 64 LEU HD12 1 1 9 1960 1 1 15 ILE HD13 H -10.043 -16.941 -1.354 1.00 . A A . 64 LEU HD13 1 1 9 1961 1 1 15 ILE N N -6.289 -17.464 0.277 1.00 . A A . 64 LEU N 1 1 9 1962 1 1 15 ILE O O -7.388 -19.161 -2.030 1.00 . A A . 64 LEU O 1 1 9 1963 1 1 16 LEU C C -5.103 -19.225 -3.769 1.00 . A A . 65 GLN C 1 1 9 1964 1 1 16 LEU CA C -6.067 -18.083 -4.044 1.00 . A A . 65 GLN CA 1 1 9 1965 1 1 16 LEU CB C -5.469 -17.117 -5.096 1.00 . A A . 65 GLN CB 1 1 9 1966 1 1 16 LEU CG C -4.148 -16.433 -4.673 1.00 . A A . 65 GLN CG 1 1 9 1967 1 1 16 LEU H H -6.134 -16.406 -2.707 1.00 . A A . 65 GLN H 1 1 9 1968 1 1 16 LEU HA H -6.976 -18.514 -4.412 1.00 . A A . 65 GLN HA 1 1 9 1969 1 1 16 LEU HB3 H -5.292 -17.682 -5.997 1.00 . A A . 65 GLN HB2 1 1 9 1970 1 1 16 LEU N N -6.405 -17.339 -2.816 1.00 . A A . 65 GLN N 1 1 9 1971 1 1 16 LEU O O -4.812 -19.965 -4.685 1.00 . A A . 65 GLN O 1 1 9 1972 1 1 17 GLN C C -4.530 -21.781 -2.197 1.00 . A A . 66 GLN C 1 1 9 1973 1 1 17 GLN CA C -3.685 -20.525 -2.343 1.00 . A A . 66 GLN CA 1 1 9 1974 1 1 17 GLN CB C -2.842 -20.315 -1.062 1.00 . A A . 66 GLN CB 1 1 9 1975 1 1 17 GLN CD C -0.453 -19.880 -0.278 1.00 . A A . 66 GLN CD 1 1 9 1976 1 1 17 GLN CG C -1.458 -19.690 -1.434 1.00 . A A . 66 GLN CG 1 1 9 1977 1 1 17 GLN H H -4.893 -18.784 -1.820 1.00 . A A . 66 GLN H 1 1 9 1978 1 1 17 GLN HA H -3.052 -20.640 -3.211 1.00 . A A . 66 GLN HA 1 1 9 1979 1 1 17 GLN HB3 H -3.366 -19.643 -0.403 1.00 . A A . 66 GLN HB2 1 1 9 1980 1 1 17 GLN HE21 H 0.496 -18.152 -0.528 1.00 . A A . 66 GLN HE21 1 1 9 1981 1 1 17 GLN HE22 H 1.042 -19.122 0.758 1.00 . A A . 66 GLN HE22 1 1 9 1982 1 1 17 GLN HG3 H -1.051 -20.177 -2.308 1.00 . A A . 66 GLN HG2 1 1 9 1983 1 1 17 GLN N N -4.629 -19.382 -2.559 1.00 . A A . 66 GLN N 1 1 9 1984 1 1 17 GLN NE2 N 0.435 -18.970 0.003 1.00 . A A . 66 GLN NE2 1 1 9 1985 1 1 17 GLN O O -4.099 -22.870 -2.519 1.00 . A A . 66 GLN O 1 1 9 1986 1 1 17 GLN OE1 O -0.462 -20.888 0.393 1.00 . A A . 66 GLN OE1 1 1 9 1987 1 1 18 GLN C C -7.365 -22.960 -2.841 1.00 . A A . 67 LEU C 1 1 9 1988 1 1 18 GLN CA C -6.653 -22.731 -1.533 1.00 . A A . 67 LEU CA 1 1 9 1989 1 1 18 GLN CB C -7.664 -22.391 -0.446 1.00 . A A . 67 LEU CB 1 1 9 1990 1 1 18 GLN CG C -6.964 -22.049 0.892 1.00 . A A . 67 LEU CG 1 1 9 1991 1 1 18 GLN H H -6.038 -20.675 -1.510 1.00 . A A . 67 LEU H 1 1 9 1992 1 1 18 GLN HA H -6.093 -23.618 -1.292 1.00 . A A . 67 LEU HA 1 1 9 1993 1 1 18 GLN HB3 H -8.270 -21.553 -0.761 1.00 . A A . 67 LEU HB2 1 1 9 1994 1 1 18 GLN N N -5.730 -21.583 -1.727 1.00 . A A . 67 LEU N 1 1 9 1995 1 1 18 GLN O O -7.639 -24.063 -3.264 1.00 . A A . 67 LEU O 1 1 9 1996 1 1 19 LEU C C -7.433 -22.519 -5.814 1.00 . A A . 68 LEU C 1 1 9 1997 1 1 19 LEU CA C -8.349 -21.959 -4.770 1.00 . A A . 68 LEU CA 1 1 9 1998 1 1 19 LEU CB C -8.820 -20.558 -5.171 1.00 . A A . 68 LEU CB 1 1 9 1999 1 1 19 LEU CD1 C -10.193 -18.533 -4.615 1.00 . A A . 68 LEU CD1 1 1 9 2000 1 1 19 LEU CD2 C -11.154 -20.790 -4.139 1.00 . A A . 68 LEU CD2 1 1 9 2001 1 1 19 LEU CG C -9.841 -19.964 -4.158 1.00 . A A . 68 LEU CG 1 1 9 2002 1 1 19 LEU H H -7.398 -21.024 -3.090 1.00 . A A . 68 LEU H 1 1 9 2003 1 1 19 LEU HA H -9.113 -22.705 -4.679 1.00 . A A . 68 LEU HA 1 1 9 2004 1 1 19 LEU HB3 H -7.940 -19.936 -5.213 1.00 . A A . 68 LEU HB2 1 1 9 2005 1 1 19 LEU HD11 H -9.311 -17.911 -4.641 1.00 . A A . 68 LEU HD11 1 1 9 2006 1 1 19 LEU HD12 H -10.637 -18.546 -5.601 1.00 . A A . 68 LEU HD12 1 1 9 2007 1 1 19 LEU HD13 H -10.900 -18.089 -3.929 1.00 . A A . 68 LEU HD13 1 1 9 2008 1 1 19 LEU HD21 H -11.619 -20.800 -5.114 1.00 . A A . 68 LEU HD21 1 1 9 2009 1 1 19 LEU HD22 H -10.964 -21.807 -3.835 1.00 . A A . 68 LEU HD22 1 1 9 2010 1 1 19 LEU HD23 H -11.847 -20.354 -3.431 1.00 . A A . 68 LEU HD23 1 1 9 2011 1 1 19 LEU HG H -9.421 -19.931 -3.162 1.00 . A A . 68 LEU HG 1 1 9 2012 1 1 19 LEU N N -7.651 -21.875 -3.478 1.00 . A A . 68 LEU N 1 1 9 2013 1 1 19 LEU O O -7.870 -23.317 -6.611 1.00 . A A . 68 LEU O 1 1 9 2014 1 1 20 LEU C C -5.110 -24.113 -6.587 1.00 . A A . 69 PHE C 1 1 9 2015 1 1 20 LEU CA C -5.255 -22.644 -6.806 1.00 . A A . 69 PHE CA 1 1 9 2016 1 1 20 LEU CB C -3.881 -21.926 -6.649 1.00 . A A . 69 PHE CB 1 1 9 2017 1 1 20 LEU CD1 C -2.550 -23.128 -8.448 1.00 . A A . 69 PHE CD1 1 1 9 2018 1 1 20 LEU CD2 C -1.836 -23.334 -6.185 1.00 . A A . 69 PHE CD2 1 1 9 2019 1 1 20 LEU CG C -2.721 -22.822 -7.115 1.00 . A A . 69 PHE CG 1 1 9 2020 1 1 20 LEU H H -5.853 -21.515 -5.117 1.00 . A A . 69 PHE H 1 1 9 2021 1 1 20 LEU HA H -5.712 -22.528 -7.785 1.00 . A A . 69 PHE HA 1 1 9 2022 1 1 20 LEU HB3 H -3.868 -21.011 -7.223 1.00 . A A . 69 PHE HB2 1 1 9 2023 1 1 20 LEU N N -6.193 -22.128 -5.793 1.00 . A A . 69 PHE N 1 1 9 2024 1 1 20 LEU O O -4.975 -24.828 -7.553 1.00 . A A . 69 PHE O 1 1 9 2025 1 1 21 PHE C C -6.302 -26.718 -5.417 1.00 . A A . 70 ILE C 1 1 9 2026 1 1 21 PHE CA C -4.992 -26.014 -5.224 1.00 . A A . 70 ILE CA 1 1 9 2027 1 1 21 PHE CB C -4.359 -26.321 -3.848 1.00 . A A . 70 ILE CB 1 1 9 2028 1 1 21 PHE CD1 C -6.255 -26.793 -2.288 1.00 . A A . 70 ILE CD1 1 1 9 2029 1 1 21 PHE H H -5.315 -23.963 -4.593 1.00 . A A . 70 ILE H 1 1 9 2030 1 1 21 PHE HA H -4.335 -26.329 -5.985 1.00 . A A . 70 ILE HA 1 1 9 2031 1 1 21 PHE N N -5.158 -24.554 -5.360 1.00 . A A . 70 ILE N 1 1 9 2032 1 1 21 PHE O O -6.345 -27.864 -5.823 1.00 . A A . 70 ILE O 1 1 9 2033 1 1 22 ILE C C -8.905 -26.831 -6.811 1.00 . A A . 71 HIS C 1 1 9 2034 1 1 22 ILE CA C -8.687 -26.656 -5.309 1.00 . A A . 71 HIS CA 1 1 9 2035 1 1 22 ILE CB C -9.739 -25.739 -4.689 1.00 . A A . 71 HIS CB 1 1 9 2036 1 1 22 ILE H H -7.271 -25.074 -4.810 1.00 . A A . 71 HIS H 1 1 9 2037 1 1 22 ILE HA H -8.643 -27.627 -4.856 1.00 . A A . 71 HIS HA 1 1 9 2038 1 1 22 ILE HD11 H -12.127 -24.834 -3.699 1.00 . A A . 71 HIS HD1 1 1 9 2039 1 1 22 ILE HD12 H -10.956 -28.322 -5.632 1.00 . A A . 71 HIS HD2 1 1 9 2040 1 1 22 ILE N N -7.358 -26.009 -5.133 1.00 . A A . 71 HIS N 1 1 9 2041 1 1 22 ILE O O -9.399 -27.828 -7.303 1.00 . A A . 71 HIS O 1 1 9 2042 1 1 23 HIS C C -7.543 -26.506 -9.727 1.00 . A A . 72 PHE C 1 1 9 2043 1 1 23 HIS CA C -8.600 -25.730 -8.968 1.00 . A A . 72 PHE CA 1 1 9 2044 1 1 23 HIS CB C -8.545 -24.246 -9.421 1.00 . A A . 72 PHE CB 1 1 9 2045 1 1 23 HIS CD2 C -10.516 -22.834 -8.655 1.00 . A A . 72 PHE CD2 1 1 9 2046 1 1 23 HIS CE1 C -12.076 -23.744 -10.734 1.00 . A A . 72 PHE CE1 1 1 9 2047 1 1 23 HIS CG C -9.987 -23.736 -9.557 1.00 . A A . 72 PHE CG 1 1 9 2048 1 1 23 HIS H H -8.091 -25.082 -6.941 1.00 . A A . 72 PHE H 1 1 9 2049 1 1 23 HIS HA H -9.550 -26.158 -9.238 1.00 . A A . 72 PHE HA 1 1 9 2050 1 1 23 HIS HB3 H -8.031 -23.642 -8.702 1.00 . A A . 72 PHE HB2 1 1 9 2051 1 1 23 HIS HD1 H -10.385 -24.894 -11.316 1.00 . A A . 72 PHE HD1 1 1 9 2052 1 1 23 HIS HD2 H -9.909 -22.476 -7.838 1.00 . A A . 72 PHE HD2 1 1 9 2053 1 1 23 HIS HE1 H -12.683 -24.106 -11.550 1.00 . A A . 72 PHE HE1 1 1 9 2054 1 1 23 HIS N N -8.488 -25.800 -7.480 1.00 . A A . 72 PHE N 1 1 9 2055 1 1 23 HIS O O -7.869 -27.242 -10.634 1.00 . A A . 72 PHE O 1 1 9 2056 1 1 24 PHE C C -5.486 -28.567 -10.158 1.00 . A A . 73 ARG C 1 1 9 2057 1 1 24 PHE CA C -5.206 -27.063 -10.055 1.00 . A A . 73 ARG CA 1 1 9 2058 1 1 24 PHE CB C -3.887 -26.799 -9.289 1.00 . A A . 73 ARG CB 1 1 9 2059 1 1 24 PHE CG C -2.664 -27.408 -10.002 1.00 . A A . 73 ARG CG 1 1 9 2060 1 1 24 PHE CZ C -0.938 -27.041 -13.240 1.00 . A A . 73 ARG CZ 1 1 9 2061 1 1 24 PHE H H -6.119 -25.735 -8.598 1.00 . A A . 73 ARG H 1 1 9 2062 1 1 24 PHE HA H -5.139 -26.667 -11.055 1.00 . A A . 73 ARG HA 1 1 9 2063 1 1 24 PHE HB3 H -3.726 -25.733 -9.244 1.00 . A A . 73 ARG HB2 1 1 9 2064 1 1 24 PHE HD2 H -3.277 -27.009 -12.058 1.00 . A A . 73 ARG HD2 1 1 9 2065 1 1 24 PHE N N -6.311 -26.338 -9.348 1.00 . A A . 73 ARG N 1 1 9 2066 1 1 24 PHE O O -5.098 -29.197 -11.121 1.00 . A A . 73 ARG O 1 1 9 2067 1 1 25 ARG C C -7.696 -30.833 -10.086 1.00 . A A . 74 ILE C 1 1 9 2068 1 1 25 ARG CA C -6.462 -30.573 -9.201 1.00 . A A . 74 ILE CA 1 1 9 2069 1 1 25 ARG CB C -6.693 -31.008 -7.735 1.00 . A A . 74 ILE CB 1 1 9 2070 1 1 25 ARG H H -6.432 -28.572 -8.402 1.00 . A A . 74 ILE H 1 1 9 2071 1 1 25 ARG HA H -5.625 -31.104 -9.636 1.00 . A A . 74 ILE HA 1 1 9 2072 1 1 25 ARG N N -6.146 -29.111 -9.171 1.00 . A A . 74 ILE N 1 1 9 2073 1 1 25 ARG O O -7.923 -31.937 -10.546 1.00 . A A . 74 ILE O 1 1 9 2074 1 1 26 ILE C C -10.685 -28.801 -10.737 1.00 . A A . 75 GLY C 1 1 9 2075 1 1 26 ILE CA C -9.692 -29.890 -11.136 1.00 . A A . 75 GLY CA 1 1 9 2076 1 1 26 ILE H H -8.197 -28.939 -9.909 1.00 . A A . 75 GLY H 1 1 9 2077 1 1 26 ILE N N -8.457 -29.798 -10.301 1.00 . A A . 75 GLY N 1 1 9 2078 1 1 26 ILE O O -11.471 -28.325 -11.528 1.00 . A A . 75 GLY O 1 1 9 2079 1 1 27 GLY N N -10.706 -28.362 -9.516 1.00 . A A . 76 NH2 N 1 1 10 2080 1 1 1 ACE C C 5.274 -4.645 -0.612 1.00 . A A . 50 ACE C 1 1 10 2081 1 1 1 ACE CH3 C 5.713 -4.683 -2.073 1.00 . A A . 50 ACE CH3 1 1 10 2082 1 1 1 ACE O O 4.154 -4.284 -0.306 1.00 . A A . 50 ACE O 1 1 10 2083 1 1 2 TYR C C 4.551 -1.221 3.790 1.00 . A A . 51 GLY C 1 1 10 2084 1 1 2 TYR CA C 4.867 -1.359 2.298 1.00 . A A . 51 GLY CA 1 1 10 2085 1 1 2 TYR H H 4.395 -3.099 1.094 1.00 . A A . 51 GLY H 1 1 10 2086 1 1 2 TYR N N 4.978 -2.776 1.817 1.00 . A A . 51 GLY N 1 1 10 2087 1 1 2 TYR O O 4.952 -0.251 4.395 1.00 . A A . 51 GLY O 1 1 10 2088 1 1 3 GLY C C 2.003 -2.761 5.768 1.00 . A A . 52 ASP C 1 1 10 2089 1 1 3 GLY CA C 3.422 -2.236 5.770 1.00 . A A . 52 ASP CA 1 1 10 2090 1 1 3 GLY H H 3.556 -2.919 3.748 1.00 . A A . 52 ASP H 1 1 10 2091 1 1 3 GLY N N 3.839 -2.182 4.323 1.00 . A A . 52 ASP N 1 1 10 2092 1 1 3 GLY O O 1.732 -3.842 6.250 1.00 . A A . 52 ASP O 1 1 10 2093 1 1 4 ASP C C -0.405 -3.646 4.317 1.00 . A A . 53 THR C 1 1 10 2094 1 1 4 ASP CA C -0.303 -2.413 5.150 1.00 . A A . 53 THR CA 1 1 10 2095 1 1 4 ASP CB C -1.133 -1.248 4.553 1.00 . A A . 53 THR CB 1 1 10 2096 1 1 4 ASP H H 1.342 -1.133 4.783 1.00 . A A . 53 THR H 1 1 10 2097 1 1 4 ASP HA H -0.559 -2.726 6.117 1.00 . A A . 53 THR HA 1 1 10 2098 1 1 4 ASP N N 1.119 -1.992 5.196 1.00 . A A . 53 THR N 1 1 10 2099 1 1 4 ASP O O -1.175 -4.565 4.532 1.00 . A A . 53 THR O 1 1 10 2100 1 1 5 THR C C 0.898 -6.007 3.097 1.00 . A A . 54 TRP C 1 1 10 2101 1 1 5 THR CA C 0.538 -4.695 2.410 1.00 . A A . 54 TRP CA 1 1 10 2102 1 1 5 THR CB C 1.566 -4.332 1.342 1.00 . A A . 54 TRP CB 1 1 10 2103 1 1 5 THR H H 1.015 -2.791 3.330 1.00 . A A . 54 TRP H 1 1 10 2104 1 1 5 THR HA H -0.457 -4.748 2.024 1.00 . A A . 54 TRP HA 1 1 10 2105 1 1 5 THR N N 0.456 -3.588 3.362 1.00 . A A . 54 TRP N 1 1 10 2106 1 1 5 THR O O 0.646 -7.071 2.564 1.00 . A A . 54 TRP O 1 1 10 2107 1 1 6 TRP C C 0.539 -7.890 5.345 1.00 . A A . 55 ALA C 1 1 10 2108 1 1 6 TRP CA C 1.839 -7.166 4.984 1.00 . A A . 55 ALA CA 1 1 10 2109 1 1 6 TRP CB C 2.629 -6.800 6.251 1.00 . A A . 55 ALA CB 1 1 10 2110 1 1 6 TRP H H 1.652 -5.038 4.678 1.00 . A A . 55 ALA H 1 1 10 2111 1 1 6 TRP HA H 2.393 -7.806 4.311 1.00 . A A . 55 ALA HA 1 1 10 2112 1 1 6 TRP HB2 H 3.528 -6.258 5.998 1.00 . A A . 55 ALA HB1 1 1 10 2113 1 1 6 TRP HB3 H 2.028 -6.188 6.909 1.00 . A A . 55 ALA HB2 1 1 10 2114 1 1 6 TRP N N 1.470 -5.912 4.268 1.00 . A A . 55 ALA N 1 1 10 2115 1 1 6 TRP O O 0.490 -9.103 5.418 1.00 . A A . 55 ALA O 1 1 10 2116 1 1 7 ALA C C -2.303 -8.352 4.627 1.00 . A A . 56 GLY C 1 1 10 2117 1 1 7 ALA CA C -1.810 -7.708 5.904 1.00 . A A . 56 GLY CA 1 1 10 2118 1 1 7 ALA H H -0.399 -6.140 5.442 1.00 . A A . 56 GLY H 1 1 10 2119 1 1 7 ALA N N -0.492 -7.111 5.545 1.00 . A A . 56 GLY N 1 1 10 2120 1 1 7 ALA O O -2.669 -9.509 4.593 1.00 . A A . 56 GLY O 1 1 10 2121 1 1 8 GLY C C -2.099 -9.385 1.906 1.00 . A A . 57 VAL C 1 1 10 2122 1 1 8 GLY CA C -2.720 -8.010 2.255 1.00 . A A . 57 VAL CA 1 1 10 2123 1 1 8 GLY H H -1.946 -6.632 3.698 1.00 . A A . 57 VAL H 1 1 10 2124 1 1 8 GLY N N -2.272 -7.552 3.596 1.00 . A A . 57 VAL N 1 1 10 2125 1 1 8 GLY O O -2.776 -10.330 1.539 1.00 . A A . 57 VAL O 1 1 10 2126 1 1 9 VAL C C -0.555 -11.885 2.575 1.00 . A A . 58 GLU C 1 1 10 2127 1 1 9 VAL CA C -0.060 -10.704 1.749 1.00 . A A . 58 GLU CA 1 1 10 2128 1 1 9 VAL CB C 1.408 -10.461 2.050 1.00 . A A . 58 GLU CB 1 1 10 2129 1 1 9 VAL H H -0.308 -8.647 2.365 1.00 . A A . 58 GLU H 1 1 10 2130 1 1 9 VAL HA H -0.265 -10.993 0.716 1.00 . A A . 58 GLU HA 1 1 10 2131 1 1 9 VAL N N -0.805 -9.441 2.050 1.00 . A A . 58 GLU N 1 1 10 2132 1 1 9 VAL O O -0.426 -13.022 2.168 1.00 . A A . 58 GLU O 1 1 10 2133 1 1 10 GLU C C -2.909 -13.261 3.947 1.00 . A A . 59 ALA C 1 1 10 2134 1 1 10 GLU CA C -1.612 -12.731 4.557 1.00 . A A . 59 ALA CA 1 1 10 2135 1 1 10 GLU CB C -1.865 -12.221 5.986 1.00 . A A . 59 ALA CB 1 1 10 2136 1 1 10 GLU H H -1.198 -10.656 3.974 1.00 . A A . 59 ALA H 1 1 10 2137 1 1 10 GLU HA H -0.886 -13.533 4.541 1.00 . A A . 59 ALA HA 1 1 10 2138 1 1 10 GLU HB2 H -0.953 -11.834 6.416 1.00 . A A . 59 ALA HB1 1 1 10 2139 1 1 10 GLU HB3 H -2.607 -11.435 5.982 1.00 . A A . 59 ALA HB2 1 1 10 2140 1 1 10 GLU N N -1.114 -11.601 3.711 1.00 . A A . 59 ALA N 1 1 10 2141 1 1 10 GLU O O -3.268 -14.408 4.110 1.00 . A A . 59 ALA O 1 1 10 2142 1 1 11 ALA C C -4.549 -13.594 1.350 1.00 . A A . 60 ILE C 1 1 10 2143 1 1 11 ALA CA C -4.860 -12.760 2.591 1.00 . A A . 60 ILE CA 1 1 10 2144 1 1 11 ALA CB C -5.615 -11.466 2.190 1.00 . A A . 60 ILE CB 1 1 10 2145 1 1 11 ALA H H -3.203 -11.479 3.151 1.00 . A A . 60 ILE H 1 1 10 2146 1 1 11 ALA HA H -5.434 -13.379 3.270 1.00 . A A . 60 ILE HA 1 1 10 2147 1 1 11 ALA N N -3.570 -12.387 3.246 1.00 . A A . 60 ILE N 1 1 10 2148 1 1 11 ALA O O -4.963 -14.732 1.223 1.00 . A A . 60 ILE O 1 1 10 2149 1 1 12 ILE C C -2.797 -15.004 -0.449 1.00 . A A . 61 ILE C 1 1 10 2150 1 1 12 ILE CA C -3.414 -13.656 -0.802 1.00 . A A . 61 ILE CA 1 1 10 2151 1 1 12 ILE CB C -2.455 -12.677 -1.554 1.00 . A A . 61 ILE CB 1 1 10 2152 1 1 12 ILE CD1 C -0.242 -13.710 -1.455 1.00 . A A . 61 ILE CD1 1 1 10 2153 1 1 12 ILE CG1 C -1.111 -12.574 -0.914 1.00 . A A . 61 ILE CG1 1 1 10 2154 1 1 12 ILE CG2 C -3.111 -11.283 -1.698 1.00 . A A . 61 ILE CG2 1 1 10 2155 1 1 12 ILE H H -3.481 -12.068 0.648 1.00 . A A . 61 ILE H 1 1 10 2156 1 1 12 ILE HA H -4.244 -13.833 -1.445 1.00 . A A . 61 ILE HA 1 1 10 2157 1 1 12 ILE HB H -2.266 -13.017 -2.547 1.00 . A A . 61 ILE HB 1 1 10 2158 1 1 12 ILE HD11 H -0.665 -14.686 -1.292 1.00 . A A . 61 ILE HD11 1 1 10 2159 1 1 12 ILE HD12 H -0.136 -13.574 -2.521 1.00 . A A . 61 ILE HD12 1 1 10 2160 1 1 12 ILE HD13 H 0.717 -13.661 -0.977 1.00 . A A . 61 ILE HD13 1 1 10 2161 1 1 12 ILE HG13 H -0.662 -11.631 -1.177 1.00 . A A . 61 ILE HG12 1 1 10 2162 1 1 12 ILE HG21 H -4.035 -11.372 -2.250 1.00 . A A . 61 ILE HG21 1 1 10 2163 1 1 12 ILE HG22 H -3.327 -10.833 -0.742 1.00 . A A . 61 ILE HG22 1 1 10 2164 1 1 12 ILE HG23 H -2.455 -10.619 -2.241 1.00 . A A . 61 ILE HG23 1 1 10 2165 1 1 12 ILE N N -3.800 -12.980 0.468 1.00 . A A . 61 ILE N 1 1 10 2166 1 1 12 ILE O O -3.087 -15.991 -1.098 1.00 . A A . 61 ILE O 1 1 10 2167 1 1 13 ILE C C -2.352 -17.458 1.131 1.00 . A A . 62 ARG C 1 1 10 2168 1 1 13 ILE CA C -1.339 -16.310 0.965 1.00 . A A . 62 ARG CA 1 1 10 2169 1 1 13 ILE CB C -0.564 -16.054 2.247 1.00 . A A . 62 ARG CB 1 1 10 2170 1 1 13 ILE H H -1.754 -14.206 1.088 1.00 . A A . 62 ARG H 1 1 10 2171 1 1 13 ILE HA H -0.606 -16.592 0.230 1.00 . A A . 62 ARG HA 1 1 10 2172 1 1 13 ILE HD12 H 1.675 -17.995 3.960 1.00 . A A . 62 ARG HD2 1 1 10 2173 1 1 13 ILE HD13 H 2.000 -16.506 3.060 1.00 . A A . 62 ARG HD3 1 1 10 2174 1 1 13 ILE N N -1.972 -15.022 0.573 1.00 . A A . 62 ARG N 1 1 10 2175 1 1 13 ILE O O -1.991 -18.597 0.914 1.00 . A A . 62 ARG O 1 1 10 2176 1 1 14 ARG C C -5.681 -18.116 0.600 1.00 . A A . 63 ILE C 1 1 10 2177 1 1 14 ARG CA C -4.593 -18.236 1.680 1.00 . A A . 63 ILE CA 1 1 10 2178 1 1 14 ARG CB C -5.122 -18.076 3.137 1.00 . A A . 63 ILE CB 1 1 10 2179 1 1 14 ARG H H -3.847 -16.233 1.704 1.00 . A A . 63 ILE H 1 1 10 2180 1 1 14 ARG HA H -4.151 -19.217 1.543 1.00 . A A . 63 ILE HA 1 1 10 2181 1 1 14 ARG N N -3.569 -17.158 1.511 1.00 . A A . 63 ILE N 1 1 10 2182 1 1 14 ARG O O -6.606 -18.900 0.555 1.00 . A A . 63 ILE O 1 1 10 2183 1 1 15 ILE C C -6.406 -18.053 -2.370 1.00 . A A . 64 LEU C 1 1 10 2184 1 1 15 ILE CA C -6.517 -16.909 -1.346 1.00 . A A . 64 LEU CA 1 1 10 2185 1 1 15 ILE CB C -6.175 -15.506 -1.929 1.00 . A A . 64 LEU CB 1 1 10 2186 1 1 15 ILE CD1 C -8.553 -14.764 -2.445 1.00 . A A . 64 LEU CD1 1 1 10 2187 1 1 15 ILE H H -4.753 -16.551 -0.158 1.00 . A A . 64 LEU H 1 1 10 2188 1 1 15 ILE HA H -7.507 -16.945 -0.927 1.00 . A A . 64 LEU HA 1 1 10 2189 1 1 15 ILE HD11 H -8.506 -13.994 -1.687 1.00 . A A . 64 LEU HD11 1 1 10 2190 1 1 15 ILE HD12 H -9.223 -14.435 -3.225 1.00 . A A . 64 LEU HD12 1 1 10 2191 1 1 15 ILE HD13 H -8.962 -15.661 -2.002 1.00 . A A . 64 LEU HD13 1 1 10 2192 1 1 15 ILE N N -5.533 -17.140 -0.249 1.00 . A A . 64 LEU N 1 1 10 2193 1 1 15 ILE O O -6.884 -19.151 -2.149 1.00 . A A . 64 LEU O 1 1 10 2194 1 1 16 LEU C C -4.845 -20.086 -3.942 1.00 . A A . 65 GLN C 1 1 10 2195 1 1 16 LEU CA C -5.658 -18.907 -4.472 1.00 . A A . 65 GLN CA 1 1 10 2196 1 1 16 LEU CB C -5.004 -18.378 -5.780 1.00 . A A . 65 GLN CB 1 1 10 2197 1 1 16 LEU CG C -3.503 -17.992 -5.599 1.00 . A A . 65 GLN CG 1 1 10 2198 1 1 16 LEU H H -5.376 -16.928 -3.670 1.00 . A A . 65 GLN H 1 1 10 2199 1 1 16 LEU HA H -6.655 -19.261 -4.647 1.00 . A A . 65 GLN HA 1 1 10 2200 1 1 16 LEU HB3 H -5.075 -19.154 -6.522 1.00 . A A . 65 GLN HB2 1 1 10 2201 1 1 16 LEU N N -5.768 -17.807 -3.481 1.00 . A A . 65 GLN N 1 1 10 2202 1 1 16 LEU O O -4.667 -21.055 -4.650 1.00 . A A . 65 GLN O 1 1 10 2203 1 1 17 GLN C C -4.512 -22.365 -2.115 1.00 . A A . 66 GLN C 1 1 10 2204 1 1 17 GLN CA C -3.580 -21.171 -2.219 1.00 . A A . 66 GLN CA 1 1 10 2205 1 1 17 GLN CB C -2.994 -20.849 -0.825 1.00 . A A . 66 GLN CB 1 1 10 2206 1 1 17 GLN CD C -0.964 -19.589 -1.697 1.00 . A A . 66 GLN CD 1 1 10 2207 1 1 17 GLN CG C -1.448 -20.795 -0.885 1.00 . A A . 66 GLN CG 1 1 10 2208 1 1 17 GLN H H -4.547 -19.233 -2.158 1.00 . A A . 66 GLN H 1 1 10 2209 1 1 17 GLN HA H -2.805 -21.404 -2.937 1.00 . A A . 66 GLN HA 1 1 10 2210 1 1 17 GLN HB3 H -3.366 -19.898 -0.479 1.00 . A A . 66 GLN HB2 1 1 10 2211 1 1 17 GLN HE21 H 0.088 -18.823 -0.209 1.00 . A A . 66 GLN HE21 1 1 10 2212 1 1 17 GLN HE22 H 0.157 -17.969 -1.680 1.00 . A A . 66 GLN HE22 1 1 10 2213 1 1 17 GLN HG3 H -1.057 -20.717 0.119 1.00 . A A . 66 GLN HG2 1 1 10 2214 1 1 17 GLN N N -4.373 -20.016 -2.725 1.00 . A A . 66 GLN N 1 1 10 2215 1 1 17 GLN NE2 N -0.172 -18.721 -1.148 1.00 . A A . 66 GLN NE2 1 1 10 2216 1 1 17 GLN O O -4.121 -23.474 -2.404 1.00 . A A . 66 GLN O 1 1 10 2217 1 1 17 GLN OE1 O -1.298 -19.412 -2.850 1.00 . A A . 66 GLN OE1 1 1 10 2218 1 1 18 GLN C C -7.350 -23.548 -2.919 1.00 . A A . 67 LEU C 1 1 10 2219 1 1 18 GLN CA C -6.740 -23.191 -1.567 1.00 . A A . 67 LEU CA 1 1 10 2220 1 1 18 GLN CB C -7.822 -22.699 -0.602 1.00 . A A . 67 LEU CB 1 1 10 2221 1 1 18 GLN CG C -7.193 -22.085 0.682 1.00 . A A . 67 LEU CG 1 1 10 2222 1 1 18 GLN H H -5.971 -21.162 -1.522 1.00 . A A . 67 LEU H 1 1 10 2223 1 1 18 GLN HA H -6.257 -24.077 -1.189 1.00 . A A . 67 LEU HA 1 1 10 2224 1 1 18 GLN HB3 H -8.445 -21.965 -1.094 1.00 . A A . 67 LEU HB2 1 1 10 2225 1 1 18 GLN N N -5.725 -22.097 -1.718 1.00 . A A . 67 LEU N 1 1 10 2226 1 1 18 GLN O O -7.789 -24.648 -3.197 1.00 . A A . 67 LEU O 1 1 10 2227 1 1 19 LEU C C -6.870 -23.414 -5.901 1.00 . A A . 68 LEU C 1 1 10 2228 1 1 19 LEU CA C -7.875 -22.664 -5.107 1.00 . A A . 68 LEU CA 1 1 10 2229 1 1 19 LEU CB C -8.064 -21.293 -5.739 1.00 . A A . 68 LEU CB 1 1 10 2230 1 1 19 LEU CD1 C -9.275 -19.060 -5.687 1.00 . A A . 68 LEU CD1 1 1 10 2231 1 1 19 LEU CD2 C -10.541 -21.175 -5.201 1.00 . A A . 68 LEU CD2 1 1 10 2232 1 1 19 LEU CG C -9.176 -20.468 -5.037 1.00 . A A . 68 LEU CG 1 1 10 2233 1 1 19 LEU H H -6.935 -21.719 -3.440 1.00 . A A . 68 LEU H 1 1 10 2234 1 1 19 LEU HA H -8.765 -23.260 -5.096 1.00 . A A . 68 LEU HA 1 1 10 2235 1 1 19 LEU HB3 H -7.113 -20.788 -5.689 1.00 . A A . 68 LEU HB2 1 1 10 2236 1 1 19 LEU HD11 H -9.513 -19.149 -6.739 1.00 . A A . 68 LEU HD11 1 1 10 2237 1 1 19 LEU HD12 H -10.052 -18.479 -5.209 1.00 . A A . 68 LEU HD12 1 1 10 2238 1 1 19 LEU HD13 H -8.347 -18.518 -5.592 1.00 . A A . 68 LEU HD13 1 1 10 2239 1 1 19 LEU HD21 H -10.791 -21.290 -6.247 1.00 . A A . 68 LEU HD21 1 1 10 2240 1 1 19 LEU HD22 H -10.525 -22.148 -4.736 1.00 . A A . 68 LEU HD22 1 1 10 2241 1 1 19 LEU HD23 H -11.316 -20.589 -4.727 1.00 . A A . 68 LEU HD23 1 1 10 2242 1 1 19 LEU HG H -8.948 -20.366 -3.986 1.00 . A A . 68 LEU HG 1 1 10 2243 1 1 19 LEU N N -7.332 -22.547 -3.741 1.00 . A A . 68 LEU N 1 1 10 2244 1 1 19 LEU O O -7.203 -24.117 -6.821 1.00 . A A . 68 LEU O 1 1 10 2245 1 1 20 LEU C C -4.981 -25.432 -6.240 1.00 . A A . 69 PHE C 1 1 10 2246 1 1 20 LEU CA C -4.628 -24.005 -6.308 1.00 . A A . 69 PHE CA 1 1 10 2247 1 1 20 LEU CB C -3.241 -23.748 -5.698 1.00 . A A . 69 PHE CB 1 1 10 2248 1 1 20 LEU CD1 C -1.928 -24.789 -7.588 1.00 . A A . 69 PHE CD1 1 1 10 2249 1 1 20 LEU CD2 C -1.665 -25.715 -5.407 1.00 . A A . 69 PHE CD2 1 1 10 2250 1 1 20 LEU CG C -2.245 -24.780 -6.246 1.00 . A A . 69 PHE CG 1 1 10 2251 1 1 20 LEU H H -5.391 -22.755 -4.784 1.00 . A A . 69 PHE H 1 1 10 2252 1 1 20 LEU HA H -4.784 -23.733 -7.339 1.00 . A A . 69 PHE HA 1 1 10 2253 1 1 20 LEU HB3 H -2.905 -22.759 -5.969 1.00 . A A . 69 PHE HB2 1 1 10 2254 1 1 20 LEU N N -5.640 -23.291 -5.545 1.00 . A A . 69 PHE N 1 1 10 2255 1 1 20 LEU O O -4.891 -26.076 -7.258 1.00 . A A . 69 PHE O 1 1 10 2256 1 1 21 PHE C C -7.174 -27.591 -5.479 1.00 . A A . 70 ILE C 1 1 10 2257 1 1 21 PHE CA C -5.719 -27.350 -5.136 1.00 . A A . 70 ILE CA 1 1 10 2258 1 1 21 PHE CB C -5.369 -28.001 -3.787 1.00 . A A . 70 ILE CB 1 1 10 2259 1 1 21 PHE CD1 C -4.588 -26.175 -2.202 1.00 . A A . 70 ILE CD1 1 1 10 2260 1 1 21 PHE H H -5.517 -25.350 -4.288 1.00 . A A . 70 ILE H 1 1 10 2261 1 1 21 PHE HA H -5.114 -27.769 -5.896 1.00 . A A . 70 ILE HA 1 1 10 2262 1 1 21 PHE N N -5.400 -25.907 -5.099 1.00 . A A . 70 ILE N 1 1 10 2263 1 1 21 PHE O O -7.542 -28.654 -5.942 1.00 . A A . 70 ILE O 1 1 10 2264 1 1 22 ILE C C -9.698 -26.355 -7.023 1.00 . A A . 71 HIS C 1 1 10 2265 1 1 22 ILE CA C -9.419 -26.724 -5.559 1.00 . A A . 71 HIS CA 1 1 10 2266 1 1 22 ILE CB C -10.159 -25.822 -4.569 1.00 . A A . 71 HIS CB 1 1 10 2267 1 1 22 ILE H H -7.605 -25.743 -4.891 1.00 . A A . 71 HIS H 1 1 10 2268 1 1 22 ILE HA H -9.699 -27.756 -5.412 1.00 . A A . 71 HIS HA 1 1 10 2269 1 1 22 ILE HD11 H -12.259 -24.042 -4.130 1.00 . A A . 71 HIS HD1 1 1 10 2270 1 1 22 ILE HD12 H -12.029 -28.004 -5.352 1.00 . A A . 71 HIS HD2 1 1 10 2271 1 1 22 ILE N N -7.968 -26.584 -5.256 1.00 . A A . 71 HIS N 1 1 10 2272 1 1 22 ILE O O -10.800 -26.521 -7.500 1.00 . A A . 71 HIS O 1 1 10 2273 1 1 23 HIS C C -7.953 -26.397 -9.957 1.00 . A A . 72 PHE C 1 1 10 2274 1 1 23 HIS CA C -8.856 -25.475 -9.142 1.00 . A A . 72 PHE CA 1 1 10 2275 1 1 23 HIS CB C -8.438 -23.982 -9.362 1.00 . A A . 72 PHE CB 1 1 10 2276 1 1 23 HIS CD2 C -9.576 -23.124 -11.489 1.00 . A A . 72 PHE CD2 1 1 10 2277 1 1 23 HIS CE1 C -11.617 -22.012 -10.001 1.00 . A A . 72 PHE CE1 1 1 10 2278 1 1 23 HIS CG C -9.560 -23.248 -10.113 1.00 . A A . 72 PHE CG 1 1 10 2279 1 1 23 HIS H H -7.832 -25.739 -7.254 1.00 . A A . 72 PHE H 1 1 10 2280 1 1 23 HIS HA H -9.869 -25.650 -9.456 1.00 . A A . 72 PHE HA 1 1 10 2281 1 1 23 HIS HB3 H -8.323 -23.455 -8.436 1.00 . A A . 72 PHE HB2 1 1 10 2282 1 1 23 HIS HD1 H -10.594 -22.782 -8.304 1.00 . A A . 72 PHE HD1 1 1 10 2283 1 1 23 HIS HD2 H -8.783 -23.555 -12.084 1.00 . A A . 72 PHE HD2 1 1 10 2284 1 1 23 HIS HE1 H -12.412 -21.581 -9.410 1.00 . A A . 72 PHE HE1 1 1 10 2285 1 1 23 HIS N N -8.698 -25.863 -7.703 1.00 . A A . 72 PHE N 1 1 10 2286 1 1 23 HIS O O -8.372 -26.941 -10.954 1.00 . A A . 72 PHE O 1 1 10 2287 1 1 24 PHE C C -6.385 -28.847 -10.529 1.00 . A A . 73 ARG C 1 1 10 2288 1 1 24 PHE CA C -5.783 -27.459 -10.266 1.00 . A A . 73 ARG CA 1 1 10 2289 1 1 24 PHE CB C -4.480 -27.619 -9.451 1.00 . A A . 73 ARG CB 1 1 10 2290 1 1 24 PHE CG C -3.485 -28.594 -10.099 1.00 . A A . 73 ARG CG 1 1 10 2291 1 1 24 PHE CZ C -1.597 -28.859 -13.237 1.00 . A A . 73 ARG CZ 1 1 10 2292 1 1 24 PHE H H -6.435 -26.100 -8.697 1.00 . A A . 73 ARG H 1 1 10 2293 1 1 24 PHE HA H -5.574 -26.999 -11.220 1.00 . A A . 73 ARG HA 1 1 10 2294 1 1 24 PHE HB3 H -4.003 -26.656 -9.346 1.00 . A A . 73 ARG HB2 1 1 10 2295 1 1 24 PHE HD2 H -3.879 -27.956 -12.137 1.00 . A A . 73 ARG HD2 1 1 10 2296 1 1 24 PHE N N -6.732 -26.563 -9.515 1.00 . A A . 73 ARG N 1 1 10 2297 1 1 24 PHE O O -6.232 -29.397 -11.598 1.00 . A A . 73 ARG O 1 1 10 2298 1 1 25 ARG C C -8.955 -30.637 -10.550 1.00 . A A . 74 ILE C 1 1 10 2299 1 1 25 ARG CA C -7.679 -30.727 -9.696 1.00 . A A . 74 ILE CA 1 1 10 2300 1 1 25 ARG CB C -7.946 -31.253 -8.253 1.00 . A A . 74 ILE CB 1 1 10 2301 1 1 25 ARG H H -7.145 -28.893 -8.692 1.00 . A A . 74 ILE H 1 1 10 2302 1 1 25 ARG HA H -6.982 -31.372 -10.213 1.00 . A A . 74 ILE HA 1 1 10 2303 1 1 25 ARG N N -7.054 -29.377 -9.540 1.00 . A A . 74 ILE N 1 1 10 2304 1 1 25 ARG O O -9.522 -31.630 -10.962 1.00 . A A . 74 ILE O 1 1 10 2305 1 1 26 ILE C C -11.357 -28.021 -10.943 1.00 . A A . 75 GLY C 1 1 10 2306 1 1 26 ILE CA C -10.586 -29.152 -11.604 1.00 . A A . 75 GLY CA 1 1 10 2307 1 1 26 ILE H H -8.840 -28.683 -10.431 1.00 . A A . 75 GLY H 1 1 10 2308 1 1 26 ILE N N -9.363 -29.427 -10.792 1.00 . A A . 75 GLY N 1 1 10 2309 1 1 26 ILE O O -12.099 -27.294 -11.568 1.00 . A A . 75 GLY O 1 1 10 2310 1 1 27 GLY N N -11.198 -27.843 -9.668 1.00 . A A . 76 NH2 N 1 1 11 2311 1 1 1 ACE C C 3.262 3.542 3.823 1.00 . A A . 50 ACE C 1 1 11 2312 1 1 1 ACE CH3 C 3.313 3.961 5.280 1.00 . A A . 50 ACE CH3 1 1 11 2313 1 1 1 ACE O O 4.281 3.440 3.175 1.00 . A A . 50 ACE O 1 1 11 2314 1 1 2 TYR C C 4.481 -0.963 3.002 1.00 . A A . 51 GLY C 1 1 11 2315 1 1 2 TYR CA C 4.235 -0.102 1.787 1.00 . A A . 51 GLY CA 1 1 11 2316 1 1 2 TYR H H 3.700 1.714 2.870 1.00 . A A . 51 GLY H 1 1 11 2317 1 1 2 TYR N N 3.474 1.152 2.110 1.00 . A A . 51 GLY N 1 1 11 2318 1 1 2 TYR O O 5.556 -1.490 3.202 1.00 . A A . 51 GLY O 1 1 11 2319 1 1 3 GLY C C 2.276 -2.671 5.280 1.00 . A A . 52 ASP C 1 1 11 2320 1 1 3 GLY CA C 3.579 -1.916 5.044 1.00 . A A . 52 ASP CA 1 1 11 2321 1 1 3 GLY H H 2.641 -0.615 3.555 1.00 . A A . 52 ASP H 1 1 11 2322 1 1 3 GLY N N 3.460 -1.084 3.798 1.00 . A A . 52 ASP N 1 1 11 2323 1 1 3 GLY O O 2.242 -3.797 5.734 1.00 . A A . 52 ASP O 1 1 11 2324 1 1 4 ASP C C -0.297 -3.810 4.246 1.00 . A A . 53 THR C 1 1 11 2325 1 1 4 ASP CA C -0.149 -2.598 5.099 1.00 . A A . 53 THR CA 1 1 11 2326 1 1 4 ASP CB C -1.188 -1.482 4.751 1.00 . A A . 53 THR CB 1 1 11 2327 1 1 4 ASP H H 1.301 -1.133 4.517 1.00 . A A . 53 THR H 1 1 11 2328 1 1 4 ASP HA H -0.219 -2.953 6.088 1.00 . A A . 53 THR HA 1 1 11 2329 1 1 4 ASP N N 1.209 -2.011 4.922 1.00 . A A . 53 THR N 1 1 11 2330 1 1 4 ASP O O -1.015 -4.758 4.506 1.00 . A A . 53 THR O 1 1 11 2331 1 1 5 THR C C 0.885 -6.131 2.898 1.00 . A A . 54 TRP C 1 1 11 2332 1 1 5 THR CA C 0.442 -4.823 2.248 1.00 . A A . 54 TRP CA 1 1 11 2333 1 1 5 THR CB C 1.343 -4.471 1.079 1.00 . A A . 54 TRP CB 1 1 11 2334 1 1 5 THR H H 1.005 -2.915 3.127 1.00 . A A . 54 TRP H 1 1 11 2335 1 1 5 THR HA H -0.589 -4.874 1.975 1.00 . A A . 54 TRP HA 1 1 11 2336 1 1 5 THR N N 0.460 -3.719 3.209 1.00 . A A . 54 TRP N 1 1 11 2337 1 1 5 THR O O 0.580 -7.200 2.408 1.00 . A A . 54 TRP O 1 1 11 2338 1 1 6 TRP C C 0.795 -8.022 5.146 1.00 . A A . 55 ALA C 1 1 11 2339 1 1 6 TRP CA C 2.050 -7.273 4.672 1.00 . A A . 55 ALA CA 1 1 11 2340 1 1 6 TRP CB C 2.928 -6.883 5.860 1.00 . A A . 55 ALA CB 1 1 11 2341 1 1 6 TRP H H 1.824 -5.139 4.356 1.00 . A A . 55 ALA H 1 1 11 2342 1 1 6 TRP HA H 2.572 -7.898 3.959 1.00 . A A . 55 ALA HA 1 1 11 2343 1 1 6 TRP HB2 H 3.781 -6.315 5.522 1.00 . A A . 55 ALA HB1 1 1 11 2344 1 1 6 TRP HB3 H 2.365 -6.281 6.559 1.00 . A A . 55 ALA HB2 1 1 11 2345 1 1 6 TRP N N 1.594 -6.024 3.989 1.00 . A A . 55 ALA N 1 1 11 2346 1 1 6 TRP O O 0.752 -9.236 5.209 1.00 . A A . 55 ALA O 1 1 11 2347 1 1 7 ALA C C -2.102 -8.449 4.701 1.00 . A A . 56 GLY C 1 1 11 2348 1 1 7 ALA CA C -1.495 -7.812 5.929 1.00 . A A . 56 GLY CA 1 1 11 2349 1 1 7 ALA H H -0.109 -6.269 5.352 1.00 . A A . 56 GLY H 1 1 11 2350 1 1 7 ALA N N -0.207 -7.240 5.453 1.00 . A A . 56 GLY N 1 1 11 2351 1 1 7 ALA O O -2.490 -9.597 4.724 1.00 . A A . 56 GLY O 1 1 11 2352 1 1 8 GLY C C -2.132 -9.542 2.012 1.00 . A A . 57 VAL C 1 1 11 2353 1 1 8 GLY CA C -2.720 -8.168 2.369 1.00 . A A . 57 VAL CA 1 1 11 2354 1 1 8 GLY H H -1.805 -6.759 3.691 1.00 . A A . 57 VAL H 1 1 11 2355 1 1 8 GLY N N -2.150 -7.678 3.649 1.00 . A A . 57 VAL N 1 1 11 2356 1 1 8 GLY O O -2.837 -10.488 1.700 1.00 . A A . 57 VAL O 1 1 11 2357 1 1 9 VAL C C -0.617 -12.034 2.641 1.00 . A A . 58 GLU C 1 1 11 2358 1 1 9 VAL CA C -0.144 -10.890 1.756 1.00 . A A . 58 GLU CA 1 1 11 2359 1 1 9 VAL CB C 1.384 -10.675 1.923 1.00 . A A . 58 GLU CB 1 1 11 2360 1 1 9 VAL H H -0.303 -8.824 2.355 1.00 . A A . 58 GLU H 1 1 11 2361 1 1 9 VAL HA H -0.435 -11.156 0.747 1.00 . A A . 58 GLU HA 1 1 11 2362 1 1 9 VAL N N -0.833 -9.609 2.083 1.00 . A A . 58 GLU N 1 1 11 2363 1 1 9 VAL O O -0.585 -13.172 2.225 1.00 . A A . 58 GLU O 1 1 11 2364 1 1 10 GLU C C -2.870 -13.356 4.210 1.00 . A A . 59 ALA C 1 1 11 2365 1 1 10 GLU CA C -1.531 -12.833 4.725 1.00 . A A . 59 ALA CA 1 1 11 2366 1 1 10 GLU CB C -1.690 -12.286 6.155 1.00 . A A . 59 ALA CB 1 1 11 2367 1 1 10 GLU H H -1.118 -10.784 4.098 1.00 . A A . 59 ALA H 1 1 11 2368 1 1 10 GLU HA H -0.811 -13.646 4.695 1.00 . A A . 59 ALA HA 1 1 11 2369 1 1 10 GLU HB2 H -0.746 -11.902 6.517 1.00 . A A . 59 ALA HB1 1 1 11 2370 1 1 10 GLU HB3 H -2.419 -11.488 6.172 1.00 . A A . 59 ALA HB2 1 1 11 2371 1 1 10 GLU N N -1.066 -11.729 3.824 1.00 . A A . 59 ALA N 1 1 11 2372 1 1 10 GLU O O -3.248 -14.487 4.433 1.00 . A A . 59 ALA O 1 1 11 2373 1 1 11 ALA C C -4.666 -13.594 1.652 1.00 . A A . 60 ILE C 1 1 11 2374 1 1 11 ALA CA C -4.876 -12.827 2.946 1.00 . A A . 60 ILE CA 1 1 11 2375 1 1 11 ALA CB C -5.668 -11.522 2.658 1.00 . A A . 60 ILE CB 1 1 11 2376 1 1 11 ALA H H -3.161 -11.587 3.383 1.00 . A A . 60 ILE H 1 1 11 2377 1 1 11 ALA HA H -5.388 -13.501 3.618 1.00 . A A . 60 ILE HA 1 1 11 2378 1 1 11 ALA N N -3.545 -12.482 3.521 1.00 . A A . 60 ILE N 1 1 11 2379 1 1 11 ALA O O -5.181 -14.685 1.482 1.00 . A A . 60 ILE O 1 1 11 2380 1 1 12 ILE C C -2.992 -14.990 -0.215 1.00 . A A . 61 ILE C 1 1 11 2381 1 1 12 ILE CA C -3.638 -13.660 -0.526 1.00 . A A . 61 ILE CA 1 1 11 2382 1 1 12 ILE CB C -2.744 -12.715 -1.377 1.00 . A A . 61 ILE CB 1 1 11 2383 1 1 12 ILE CD1 C -0.580 -13.856 -1.571 1.00 . A A . 61 ILE CD1 1 1 11 2384 1 1 12 ILE CG1 C -1.309 -12.679 -0.928 1.00 . A A . 61 ILE CG1 1 1 11 2385 1 1 12 ILE CG2 C -3.362 -11.301 -1.456 1.00 . A A . 61 ILE CG2 1 1 11 2386 1 1 12 ILE H H -3.486 -12.125 0.965 1.00 . A A . 61 ILE H 1 1 11 2387 1 1 12 ILE HA H -4.534 -13.858 -1.070 1.00 . A A . 61 ILE HA 1 1 11 2388 1 1 12 ILE HB H -2.711 -13.072 -2.383 1.00 . A A . 61 ILE HB 1 1 11 2389 1 1 12 ILE HD11 H -0.666 -13.774 -2.644 1.00 . A A . 61 ILE HD11 1 1 11 2390 1 1 12 ILE HD12 H 0.451 -13.823 -1.277 1.00 . A A . 61 ILE HD12 1 1 11 2391 1 1 12 ILE HD13 H -0.986 -14.803 -1.268 1.00 . A A . 61 ILE HD13 1 1 11 2392 1 1 12 ILE HG13 H -0.843 -11.750 -1.217 1.00 . A A . 61 ILE HG12 1 1 11 2393 1 1 12 ILE HG21 H -4.341 -11.355 -1.910 1.00 . A A . 61 ILE HG21 1 1 11 2394 1 1 12 ILE HG22 H -3.464 -10.849 -0.484 1.00 . A A . 61 ILE HG22 1 1 11 2395 1 1 12 ILE HG23 H -2.743 -10.662 -2.070 1.00 . A A . 61 ILE HG23 1 1 11 2396 1 1 12 ILE N N -3.899 -12.996 0.774 1.00 . A A . 61 ILE N 1 1 11 2397 1 1 12 ILE O O -3.225 -15.939 -0.930 1.00 . A A . 61 ILE O 1 1 11 2398 1 1 13 ILE C C -2.484 -17.499 1.328 1.00 . A A . 62 ARG C 1 1 11 2399 1 1 13 ILE CA C -1.530 -16.317 1.204 1.00 . A A . 62 ARG CA 1 1 11 2400 1 1 13 ILE CB C -0.768 -16.114 2.539 1.00 . A A . 62 ARG CB 1 1 11 2401 1 1 13 ILE H H -2.041 -14.226 1.370 1.00 . A A . 62 ARG H 1 1 11 2402 1 1 13 ILE HA H -0.833 -16.552 0.418 1.00 . A A . 62 ARG HA 1 1 11 2403 1 1 13 ILE HD12 H 1.946 -17.327 2.550 1.00 . A A . 62 ARG HD2 1 1 11 2404 1 1 13 ILE HD13 H 0.844 -17.579 1.199 1.00 . A A . 62 ARG HD3 1 1 11 2405 1 1 13 ILE N N -2.202 -15.035 0.832 1.00 . A A . 62 ARG N 1 1 11 2406 1 1 13 ILE O O -2.047 -18.624 1.183 1.00 . A A . 62 ARG O 1 1 11 2407 1 1 14 ARG C C -5.889 -18.150 0.781 1.00 . A A . 63 ILE C 1 1 11 2408 1 1 14 ARG CA C -4.697 -18.408 1.704 1.00 . A A . 63 ILE CA 1 1 11 2409 1 1 14 ARG CB C -5.062 -18.499 3.210 1.00 . A A . 63 ILE CB 1 1 11 2410 1 1 14 ARG H H -4.085 -16.337 1.720 1.00 . A A . 63 ILE H 1 1 11 2411 1 1 14 ARG HA H -4.248 -19.339 1.356 1.00 . A A . 63 ILE HA 1 1 11 2412 1 1 14 ARG N N -3.743 -17.258 1.590 1.00 . A A . 63 ILE N 1 1 11 2413 1 1 14 ARG O O -6.999 -18.595 1.003 1.00 . A A . 63 ILE O 1 1 11 2414 1 1 15 ILE C C -6.491 -18.071 -2.415 1.00 . A A . 64 LEU C 1 1 11 2415 1 1 15 ILE CA C -6.653 -17.095 -1.250 1.00 . A A . 64 LEU CA 1 1 11 2416 1 1 15 ILE CB C -6.434 -15.600 -1.626 1.00 . A A . 64 LEU CB 1 1 11 2417 1 1 15 ILE CD1 C -8.887 -15.012 -1.998 1.00 . A A . 64 LEU CD1 1 1 11 2418 1 1 15 ILE H H -4.674 -17.107 -0.405 1.00 . A A . 64 LEU H 1 1 11 2419 1 1 15 ILE HA H -7.622 -17.264 -0.807 1.00 . A A . 64 LEU HA 1 1 11 2420 1 1 15 ILE HD11 H -9.211 -15.983 -1.656 1.00 . A A . 64 LEU HD11 1 1 11 2421 1 1 15 ILE HD12 H -8.896 -14.330 -1.159 1.00 . A A . 64 LEU HD12 1 1 11 2422 1 1 15 ILE HD13 H -9.604 -14.661 -2.727 1.00 . A A . 64 LEU HD13 1 1 11 2423 1 1 15 ILE N N -5.596 -17.426 -0.265 1.00 . A A . 64 LEU N 1 1 11 2424 1 1 15 ILE O O -6.953 -19.199 -2.364 1.00 . A A . 64 LEU O 1 1 11 2425 1 1 16 LEU C C -4.883 -19.840 -4.290 1.00 . A A . 65 GLN C 1 1 11 2426 1 1 16 LEU CA C -5.634 -18.546 -4.613 1.00 . A A . 65 GLN CA 1 1 11 2427 1 1 16 LEU CB C -4.925 -17.708 -5.735 1.00 . A A . 65 GLN CB 1 1 11 2428 1 1 16 LEU CG C -3.569 -17.071 -5.292 1.00 . A A . 65 GLN CG 1 1 11 2429 1 1 16 LEU H H -5.435 -16.741 -3.444 1.00 . A A . 65 GLN H 1 1 11 2430 1 1 16 LEU HA H -6.618 -18.858 -4.915 1.00 . A A . 65 GLN HA 1 1 11 2431 1 1 16 LEU HB3 H -4.734 -18.362 -6.578 1.00 . A A . 65 GLN HB2 1 1 11 2432 1 1 16 LEU N N -5.817 -17.641 -3.445 1.00 . A A . 65 GLN N 1 1 11 2433 1 1 16 LEU O O -4.696 -20.672 -5.153 1.00 . A A . 65 GLN O 1 1 11 2434 1 1 17 GLN C C -4.806 -22.345 -2.566 1.00 . A A . 66 GLN C 1 1 11 2435 1 1 17 GLN CA C -3.750 -21.232 -2.659 1.00 . A A . 66 GLN CA 1 1 11 2436 1 1 17 GLN CB C -3.069 -20.987 -1.279 1.00 . A A . 66 GLN CB 1 1 11 2437 1 1 17 GLN CD C -2.165 -18.622 -1.664 1.00 . A A . 66 GLN CD 1 1 11 2438 1 1 17 GLN CG C -1.809 -20.091 -1.421 1.00 . A A . 66 GLN CG 1 1 11 2439 1 1 17 GLN H H -4.657 -19.302 -2.385 1.00 . A A . 66 GLN H 1 1 11 2440 1 1 17 GLN HA H -3.022 -21.488 -3.418 1.00 . A A . 66 GLN HA 1 1 11 2441 1 1 17 GLN HB3 H -3.763 -20.478 -0.625 1.00 . A A . 66 GLN HB2 1 1 11 2442 1 1 17 GLN HE21 H -0.280 -18.015 -1.566 1.00 . A A . 66 GLN HE21 1 1 11 2443 1 1 17 GLN HE22 H -1.454 -16.798 -1.823 1.00 . A A . 66 GLN HE22 1 1 11 2444 1 1 17 GLN HG3 H -1.235 -20.147 -0.506 1.00 . A A . 66 GLN HG2 1 1 11 2445 1 1 17 GLN N N -4.480 -20.000 -3.063 1.00 . A A . 66 GLN N 1 1 11 2446 1 1 17 GLN NE2 N -1.212 -17.740 -1.686 1.00 . A A . 66 GLN NE2 1 1 11 2447 1 1 17 GLN O O -4.581 -23.486 -2.931 1.00 . A A . 66 GLN O 1 1 11 2448 1 1 17 GLN OE1 O -3.301 -18.236 -1.839 1.00 . A A . 66 GLN OE1 1 1 11 2449 1 1 18 GLN C C -7.660 -23.205 -3.278 1.00 . A A . 67 LEU C 1 1 11 2450 1 1 18 GLN CA C -7.092 -22.891 -1.919 1.00 . A A . 67 LEU CA 1 1 11 2451 1 1 18 GLN CB C -8.169 -22.244 -1.039 1.00 . A A . 67 LEU CB 1 1 11 2452 1 1 18 GLN CG C -7.592 -21.805 0.331 1.00 . A A . 67 LEU CG 1 1 11 2453 1 1 18 GLN H H -6.075 -20.984 -1.858 1.00 . A A . 67 LEU H 1 1 11 2454 1 1 18 GLN HA H -6.724 -23.809 -1.490 1.00 . A A . 67 LEU HA 1 1 11 2455 1 1 18 GLN HB3 H -8.580 -21.381 -1.546 1.00 . A A . 67 LEU HB2 1 1 11 2456 1 1 18 GLN N N -5.955 -21.936 -2.089 1.00 . A A . 67 LEU N 1 1 11 2457 1 1 18 GLN O O -8.060 -24.308 -3.594 1.00 . A A . 67 LEU O 1 1 11 2458 1 1 19 LEU C C -7.188 -23.085 -6.250 1.00 . A A . 68 LEU C 1 1 11 2459 1 1 19 LEU CA C -8.193 -22.338 -5.437 1.00 . A A . 68 LEU CA 1 1 11 2460 1 1 19 LEU CB C -8.458 -20.945 -6.008 1.00 . A A . 68 LEU CB 1 1 11 2461 1 1 19 LEU CD1 C -9.836 -18.845 -5.737 1.00 . A A . 68 LEU CD1 1 1 11 2462 1 1 19 LEU CD2 C -10.989 -21.075 -5.808 1.00 . A A . 68 LEU CD2 1 1 11 2463 1 1 19 LEU CG C -9.711 -20.329 -5.327 1.00 . A A . 68 LEU CG 1 1 11 2464 1 1 19 LEU H H -7.322 -21.337 -3.749 1.00 . A A . 68 LEU H 1 1 11 2465 1 1 19 LEU HA H -9.045 -22.984 -5.384 1.00 . A A . 68 LEU HA 1 1 11 2466 1 1 19 LEU HB3 H -7.594 -20.333 -5.806 1.00 . A A . 68 LEU HB2 1 1 11 2467 1 1 19 LEU HD11 H -9.930 -18.742 -6.808 1.00 . A A . 68 LEU HD11 1 1 11 2468 1 1 19 LEU HD12 H -10.704 -18.397 -5.273 1.00 . A A . 68 LEU HD12 1 1 11 2469 1 1 19 LEU HD13 H -8.965 -18.294 -5.414 1.00 . A A . 68 LEU HD13 1 1 11 2470 1 1 19 LEU HD21 H -11.096 -20.989 -6.880 1.00 . A A . 68 LEU HD21 1 1 11 2471 1 1 19 LEU HD22 H -10.952 -22.123 -5.551 1.00 . A A . 68 LEU HD22 1 1 11 2472 1 1 19 LEU HD23 H -11.865 -20.650 -5.339 1.00 . A A . 68 LEU HD23 1 1 11 2473 1 1 19 LEU HG H -9.616 -20.400 -4.252 1.00 . A A . 68 LEU HG 1 1 11 2474 1 1 19 LEU N N -7.668 -22.184 -4.071 1.00 . A A . 68 LEU N 1 1 11 2475 1 1 19 LEU O O -7.542 -23.867 -7.094 1.00 . A A . 68 LEU O 1 1 11 2476 1 1 20 LEU C C -5.136 -25.054 -6.490 1.00 . A A . 69 PHE C 1 1 11 2477 1 1 20 LEU CA C -4.935 -23.599 -6.790 1.00 . A A . 69 PHE CA 1 1 11 2478 1 1 20 LEU CB C -3.542 -23.078 -6.354 1.00 . A A . 69 PHE CB 1 1 11 2479 1 1 20 LEU CD1 C -2.094 -24.502 -7.874 1.00 . A A . 69 PHE CD1 1 1 11 2480 1 1 20 LEU CD2 C -1.773 -24.660 -5.519 1.00 . A A . 69 PHE CD2 1 1 11 2481 1 1 20 LEU CG C -2.438 -24.109 -6.599 1.00 . A A . 69 PHE CG 1 1 11 2482 1 1 20 LEU H H -5.650 -22.276 -5.296 1.00 . A A . 69 PHE H 1 1 11 2483 1 1 20 LEU HA H -5.192 -23.470 -7.834 1.00 . A A . 69 PHE HA 1 1 11 2484 1 1 20 LEU HB3 H -3.301 -22.171 -6.895 1.00 . A A . 69 PHE HB2 1 1 11 2485 1 1 20 LEU N N -5.941 -22.879 -5.999 1.00 . A A . 69 PHE N 1 1 11 2486 1 1 20 LEU O O -5.075 -25.870 -7.380 1.00 . A A . 69 PHE O 1 1 11 2487 1 1 21 PHE C C -6.978 -27.326 -5.349 1.00 . A A . 70 ILE C 1 1 11 2488 1 1 21 PHE CA C -5.581 -26.832 -5.037 1.00 . A A . 70 ILE CA 1 1 11 2489 1 1 21 PHE CB C -5.166 -27.124 -3.577 1.00 . A A . 70 ILE CB 1 1 11 2490 1 1 21 PHE CD1 C -7.287 -26.991 -2.242 1.00 . A A . 70 ILE CD1 1 1 11 2491 1 1 21 PHE H H -5.517 -24.708 -4.559 1.00 . A A . 70 ILE H 1 1 11 2492 1 1 21 PHE HA H -4.911 -27.314 -5.699 1.00 . A A . 70 ILE HA 1 1 11 2493 1 1 21 PHE N N -5.412 -25.381 -5.266 1.00 . A A . 70 ILE N 1 1 11 2494 1 1 21 PHE O O -7.192 -28.485 -5.640 1.00 . A A . 70 ILE O 1 1 11 2495 1 1 22 ILE C C -9.637 -26.726 -7.062 1.00 . A A . 71 HIS C 1 1 11 2496 1 1 22 ILE CA C -9.320 -26.771 -5.573 1.00 . A A . 71 HIS CA 1 1 11 2497 1 1 22 ILE CB C -10.158 -25.783 -4.793 1.00 . A A . 71 HIS CB 1 1 11 2498 1 1 22 ILE H H -7.652 -25.486 -5.053 1.00 . A A . 71 HIS H 1 1 11 2499 1 1 22 ILE HA H -9.481 -27.779 -5.228 1.00 . A A . 71 HIS HA 1 1 11 2500 1 1 22 ILE HD11 H -12.345 -24.241 -4.097 1.00 . A A . 71 HIS HD1 1 1 11 2501 1 1 22 ILE HD12 H -11.878 -28.093 -5.590 1.00 . A A . 71 HIS HD2 1 1 11 2502 1 1 22 ILE N N -7.900 -26.413 -5.291 1.00 . A A . 71 HIS N 1 1 11 2503 1 1 22 ILE O O -10.557 -27.364 -7.534 1.00 . A A . 71 HIS O 1 1 11 2504 1 1 23 HIS C C -8.023 -26.609 -10.043 1.00 . A A . 72 PHE C 1 1 11 2505 1 1 23 HIS CA C -9.029 -25.806 -9.236 1.00 . A A . 72 PHE CA 1 1 11 2506 1 1 23 HIS CB C -8.898 -24.298 -9.596 1.00 . A A . 72 PHE CB 1 1 11 2507 1 1 23 HIS CD2 C -10.317 -23.615 -11.595 1.00 . A A . 72 PHE CD2 1 1 11 2508 1 1 23 HIS CE1 C -12.433 -22.984 -9.932 1.00 . A A . 72 PHE CE1 1 1 11 2509 1 1 23 HIS CG C -10.192 -23.782 -10.231 1.00 . A A . 72 PHE CG 1 1 11 2510 1 1 23 HIS H H -8.125 -25.521 -7.263 1.00 . A A . 72 PHE H 1 1 11 2511 1 1 23 HIS HA H -10.012 -26.156 -9.509 1.00 . A A . 72 PHE HA 1 1 11 2512 1 1 23 HIS HB3 H -8.787 -23.702 -8.717 1.00 . A A . 72 PHE HB2 1 1 11 2513 1 1 23 HIS HD1 H -11.165 -23.595 -8.338 1.00 . A A . 72 PHE HD1 1 1 11 2514 1 1 23 HIS HD2 H -9.495 -23.862 -12.251 1.00 . A A . 72 PHE HD2 1 1 11 2515 1 1 23 HIS HE1 H -13.256 -22.738 -9.276 1.00 . A A . 72 PHE HE1 1 1 11 2516 1 1 23 HIS N N -8.847 -25.970 -7.756 1.00 . A A . 72 PHE N 1 1 11 2517 1 1 23 HIS O O -8.361 -27.191 -11.051 1.00 . A A . 72 PHE O 1 1 11 2518 1 1 24 PHE C C -5.984 -28.882 -10.150 1.00 . A A . 73 ARG C 1 1 11 2519 1 1 24 PHE CA C -5.749 -27.380 -10.311 1.00 . A A . 73 ARG CA 1 1 11 2520 1 1 24 PHE CB C -4.386 -26.983 -9.736 1.00 . A A . 73 ARG CB 1 1 11 2521 1 1 24 PHE CG C -3.288 -26.989 -10.774 1.00 . A A . 73 ARG CG 1 1 11 2522 1 1 24 PHE CZ C -0.913 -29.200 -12.087 1.00 . A A . 73 ARG CZ 1 1 11 2523 1 1 24 PHE H H -6.582 -26.140 -8.752 1.00 . A A . 73 ARG H 1 1 11 2524 1 1 24 PHE HA H -5.818 -27.136 -11.365 1.00 . A A . 73 ARG HA 1 1 11 2525 1 1 24 PHE HB3 H -4.430 -25.971 -9.377 1.00 . A A . 73 ARG HB2 1 1 11 2526 1 1 24 PHE HD2 H -2.958 -29.130 -10.634 1.00 . A A . 73 ARG HD2 1 1 11 2527 1 1 24 PHE N N -6.806 -26.622 -9.577 1.00 . A A . 73 ARG N 1 1 11 2528 1 1 24 PHE O O -5.899 -29.625 -11.107 1.00 . A A . 73 ARG O 1 1 11 2529 1 1 25 ARG C C -7.937 -31.122 -9.166 1.00 . A A . 74 ILE C 1 1 11 2530 1 1 25 ARG CA C -6.513 -30.757 -8.724 1.00 . A A . 74 ILE CA 1 1 11 2531 1 1 25 ARG CB C -6.299 -31.052 -7.217 1.00 . A A . 74 ILE CB 1 1 11 2532 1 1 25 ARG H H -6.324 -28.686 -8.190 1.00 . A A . 74 ILE H 1 1 11 2533 1 1 25 ARG HA H -5.817 -31.325 -9.327 1.00 . A A . 74 ILE HA 1 1 11 2534 1 1 25 ARG N N -6.271 -29.303 -8.947 1.00 . A A . 74 ILE N 1 1 11 2535 1 1 25 ARG O O -8.188 -32.233 -9.588 1.00 . A A . 74 ILE O 1 1 11 2536 1 1 26 ILE C C -10.676 -29.356 -10.468 1.00 . A A . 75 GLY C 1 1 11 2537 1 1 26 ILE CA C -10.251 -30.392 -9.436 1.00 . A A . 75 GLY CA 1 1 11 2538 1 1 26 ILE H H -8.546 -29.300 -8.698 1.00 . A A . 75 GLY H 1 1 11 2539 1 1 26 ILE N N -8.825 -30.170 -9.045 1.00 . A A . 75 GLY N 1 1 11 2540 1 1 26 ILE O O -10.617 -29.575 -11.657 1.00 . A A . 75 GLY O 1 1 11 2541 1 1 27 GLY N N -11.115 -28.202 -10.079 1.00 . A A . 76 NH2 N 1 1 12 2542 1 1 1 ACE C C 6.594 4.390 4.538 1.00 . A A . 50 ACE C 1 1 12 2543 1 1 1 ACE CH3 C 7.798 4.944 3.788 1.00 . A A . 50 ACE CH3 1 1 12 2544 1 1 1 ACE O O 5.476 4.781 4.281 1.00 . A A . 50 ACE O 1 1 12 2545 1 1 2 TYR C C 3.776 -0.009 3.290 1.00 . A A . 51 GLY C 1 1 12 2546 1 1 2 TYR CA C 3.656 1.512 3.367 1.00 . A A . 51 GLY CA 1 1 12 2547 1 1 2 TYR H H 5.416 2.705 3.866 1.00 . A A . 51 GLY H 1 1 12 2548 1 1 2 TYR N N 4.685 2.178 4.237 1.00 . A A . 51 GLY N 1 1 12 2549 1 1 2 TYR O O 3.532 -0.601 2.259 1.00 . A A . 51 GLY O 1 1 12 2550 1 1 3 GLY C C 2.938 -2.767 4.770 1.00 . A A . 52 ASP C 1 1 12 2551 1 1 3 GLY CA C 4.279 -2.126 4.390 1.00 . A A . 52 ASP CA 1 1 12 2552 1 1 3 GLY H H 4.292 -0.111 5.195 1.00 . A A . 52 ASP H 1 1 12 2553 1 1 3 GLY N N 4.131 -0.631 4.378 1.00 . A A . 52 ASP N 1 1 12 2554 1 1 3 GLY O O 2.873 -3.857 5.304 1.00 . A A . 52 ASP O 1 1 12 2555 1 1 4 ASP C C 0.230 -3.845 4.023 1.00 . A A . 53 THR C 1 1 12 2556 1 1 4 ASP CA C 0.504 -2.576 4.775 1.00 . A A . 53 THR CA 1 1 12 2557 1 1 4 ASP CB C -0.486 -1.411 4.426 1.00 . A A . 53 THR CB 1 1 12 2558 1 1 4 ASP H H 1.963 -1.232 3.984 1.00 . A A . 53 THR H 1 1 12 2559 1 1 4 ASP HA H 0.499 -2.864 5.786 1.00 . A A . 53 THR HA 1 1 12 2560 1 1 4 ASP N N 1.871 -2.078 4.453 1.00 . A A . 53 THR N 1 1 12 2561 1 1 4 ASP O O -0.544 -4.714 4.388 1.00 . A A . 53 THR O 1 1 12 2562 1 1 5 THR C C 1.126 -6.383 2.791 1.00 . A A . 54 TRP C 1 1 12 2563 1 1 5 THR CA C 0.828 -5.068 2.073 1.00 . A A . 54 TRP CA 1 1 12 2564 1 1 5 THR CB C 1.775 -4.877 0.890 1.00 . A A . 54 TRP CB 1 1 12 2565 1 1 5 THR H H 1.543 -3.153 2.781 1.00 . A A . 54 TRP H 1 1 12 2566 1 1 5 THR HA H -0.207 -5.044 1.813 1.00 . A A . 54 TRP HA 1 1 12 2567 1 1 5 THR N N 0.948 -3.902 2.954 1.00 . A A . 54 TRP N 1 1 12 2568 1 1 5 THR O O 0.713 -7.437 2.342 1.00 . A A . 54 TRP O 1 1 12 2569 1 1 6 TRP C C 0.818 -8.190 5.099 1.00 . A A . 55 ALA C 1 1 12 2570 1 1 6 TRP CA C 2.141 -7.562 4.631 1.00 . A A . 55 ALA CA 1 1 12 2571 1 1 6 TRP CB C 3.029 -7.218 5.833 1.00 . A A . 55 ALA CB 1 1 12 2572 1 1 6 TRP H H 2.147 -5.428 4.222 1.00 . A A . 55 ALA H 1 1 12 2573 1 1 6 TRP HA H 2.612 -8.258 3.950 1.00 . A A . 55 ALA HA 1 1 12 2574 1 1 6 TRP HB2 H 2.522 -6.526 6.489 1.00 . A A . 55 ALA HB1 1 1 12 2575 1 1 6 TRP HB3 H 3.256 -8.116 6.388 1.00 . A A . 55 ALA HB2 1 1 12 2576 1 1 6 TRP N N 1.830 -6.301 3.890 1.00 . A A . 55 ALA N 1 1 12 2577 1 1 6 TRP O O 0.706 -9.391 5.259 1.00 . A A . 55 ALA O 1 1 12 2578 1 1 7 ALA C C -2.088 -8.518 4.541 1.00 . A A . 56 GLY C 1 1 12 2579 1 1 7 ALA CA C -1.495 -7.822 5.747 1.00 . A A . 56 GLY CA 1 1 12 2580 1 1 7 ALA H H -0.010 -6.387 5.125 1.00 . A A . 56 GLY H 1 1 12 2581 1 1 7 ALA N N -0.159 -7.342 5.292 1.00 . A A . 56 GLY N 1 1 12 2582 1 1 7 ALA O O -2.514 -9.651 4.614 1.00 . A A . 56 GLY O 1 1 12 2583 1 1 8 GLY C C -2.081 -9.734 1.901 1.00 . A A . 57 VAL C 1 1 12 2584 1 1 8 GLY CA C -2.623 -8.322 2.171 1.00 . A A . 57 VAL CA 1 1 12 2585 1 1 8 GLY H H -1.708 -6.898 3.468 1.00 . A A . 57 VAL H 1 1 12 2586 1 1 8 GLY N N -2.082 -7.803 3.453 1.00 . A A . 57 VAL N 1 1 12 2587 1 1 8 GLY O O -2.816 -10.674 1.640 1.00 . A A . 57 VAL O 1 1 12 2588 1 1 9 VAL C C -0.677 -12.257 2.657 1.00 . A A . 58 GLU C 1 1 12 2589 1 1 9 VAL CA C -0.157 -11.171 1.732 1.00 . A A . 58 GLU CA 1 1 12 2590 1 1 9 VAL CB C 1.371 -11.030 1.898 1.00 . A A . 58 GLU CB 1 1 12 2591 1 1 9 VAL H H -0.226 -9.050 2.198 1.00 . A A . 58 GLU H 1 1 12 2592 1 1 9 VAL HA H -0.454 -11.485 0.737 1.00 . A A . 58 GLU HA 1 1 12 2593 1 1 9 VAL N N -0.783 -9.838 1.979 1.00 . A A . 58 GLU N 1 1 12 2594 1 1 9 VAL O O -0.612 -13.421 2.316 1.00 . A A . 58 GLU O 1 1 12 2595 1 1 10 GLU C C -3.096 -13.370 4.248 1.00 . A A . 59 ALA C 1 1 12 2596 1 1 10 GLU CA C -1.712 -12.927 4.719 1.00 . A A . 59 ALA CA 1 1 12 2597 1 1 10 GLU CB C -1.778 -12.334 6.134 1.00 . A A . 59 ALA CB 1 1 12 2598 1 1 10 GLU H H -1.254 -10.922 4.015 1.00 . A A . 59 ALA H 1 1 12 2599 1 1 10 GLU HA H -1.059 -13.790 4.676 1.00 . A A . 59 ALA HA 1 1 12 2600 1 1 10 GLU HB2 H -2.431 -11.471 6.147 1.00 . A A . 59 ALA HB1 1 1 12 2601 1 1 10 GLU HB3 H -2.161 -13.067 6.826 1.00 . A A . 59 ALA HB2 1 1 12 2602 1 1 10 GLU N N -1.195 -11.878 3.788 1.00 . A A . 59 ALA N 1 1 12 2603 1 1 10 GLU O O -3.583 -14.416 4.626 1.00 . A A . 59 ALA O 1 1 12 2604 1 1 11 ALA C C -4.845 -13.657 1.619 1.00 . A A . 60 ILE C 1 1 12 2605 1 1 11 ALA CA C -5.038 -12.841 2.895 1.00 . A A . 60 ILE CA 1 1 12 2606 1 1 11 ALA CB C -5.783 -11.510 2.569 1.00 . A A . 60 ILE CB 1 1 12 2607 1 1 11 ALA H H -3.225 -11.714 3.175 1.00 . A A . 60 ILE H 1 1 12 2608 1 1 11 ALA HA H -5.581 -13.448 3.608 1.00 . A A . 60 ILE HA 1 1 12 2609 1 1 11 ALA N N -3.684 -12.541 3.433 1.00 . A A . 60 ILE N 1 1 12 2610 1 1 11 ALA O O -5.434 -14.706 1.457 1.00 . A A . 60 ILE O 1 1 12 2611 1 1 12 ILE C C -3.201 -15.265 -0.240 1.00 . A A . 61 ILE C 1 1 12 2612 1 1 12 ILE CA C -3.751 -13.869 -0.534 1.00 . A A . 61 ILE CA 1 1 12 2613 1 1 12 ILE CB C -2.791 -12.968 -1.379 1.00 . A A . 61 ILE CB 1 1 12 2614 1 1 12 ILE CD1 C -0.694 -14.192 -1.577 1.00 . A A . 61 ILE CD1 1 1 12 2615 1 1 12 ILE CG1 C -1.364 -12.995 -0.921 1.00 . A A . 61 ILE CG1 1 1 12 2616 1 1 12 ILE CG2 C -3.318 -11.514 -1.472 1.00 . A A . 61 ILE CG2 1 1 12 2617 1 1 12 ILE H H -3.525 -12.320 0.928 1.00 . A A . 61 ILE H 1 1 12 2618 1 1 12 ILE HA H -4.642 -13.973 -1.110 1.00 . A A . 61 ILE HA 1 1 12 2619 1 1 12 ILE HB H -2.776 -13.319 -2.387 1.00 . A A . 61 ILE HB 1 1 12 2620 1 1 12 ILE HD11 H -0.782 -14.097 -2.649 1.00 . A A . 61 ILE HD11 1 1 12 2621 1 1 12 ILE HD12 H 0.340 -14.220 -1.300 1.00 . A A . 61 ILE HD12 1 1 12 2622 1 1 12 ILE HD13 H -1.146 -15.124 -1.289 1.00 . A A . 61 ILE HD13 1 1 12 2623 1 1 12 ILE HG13 H -0.861 -12.087 -1.212 1.00 . A A . 61 ILE HG12 1 1 12 2624 1 1 12 ILE HG21 H -4.289 -11.500 -1.944 1.00 . A A . 61 ILE HG21 1 1 12 2625 1 1 12 ILE HG22 H -3.408 -11.050 -0.505 1.00 . A A . 61 ILE HG22 1 1 12 2626 1 1 12 ILE HG23 H -2.648 -10.913 -2.071 1.00 . A A . 61 ILE HG23 1 1 12 2627 1 1 12 ILE N N -4.003 -13.158 0.746 1.00 . A A . 61 ILE N 1 1 12 2628 1 1 12 ILE O O -3.575 -16.208 -0.914 1.00 . A A . 61 ILE O 1 1 12 2629 1 1 13 ILE C C -2.907 -17.746 1.252 1.00 . A A . 62 ARG C 1 1 12 2630 1 1 13 ILE CA C -1.774 -16.730 1.072 1.00 . A A . 62 ARG CA 1 1 12 2631 1 1 13 ILE CB C -0.929 -16.610 2.369 1.00 . A A . 62 ARG CB 1 1 12 2632 1 1 13 ILE H H -2.033 -14.612 1.281 1.00 . A A . 62 ARG H 1 1 12 2633 1 1 13 ILE HA H -1.154 -17.048 0.249 1.00 . A A . 62 ARG HA 1 1 12 2634 1 1 13 ILE HD12 H -0.647 -18.827 4.477 1.00 . A A . 62 ARG HD2 1 1 12 2635 1 1 13 ILE HD13 H -1.931 -18.912 3.291 1.00 . A A . 62 ARG HD3 1 1 12 2636 1 1 13 ILE N N -2.336 -15.385 0.746 1.00 . A A . 62 ARG N 1 1 12 2637 1 1 13 ILE O O -2.751 -18.906 0.934 1.00 . A A . 62 ARG O 1 1 12 2638 1 1 14 ARG C C -6.372 -17.821 1.104 1.00 . A A . 63 ILE C 1 1 12 2639 1 1 14 ARG CA C -5.166 -18.216 1.962 1.00 . A A . 63 ILE CA 1 1 12 2640 1 1 14 ARG CB C -5.430 -18.196 3.495 1.00 . A A . 63 ILE CB 1 1 12 2641 1 1 14 ARG H H -4.123 -16.340 1.998 1.00 . A A . 63 ILE H 1 1 12 2642 1 1 14 ARG HA H -4.896 -19.219 1.656 1.00 . A A . 63 ILE HA 1 1 12 2643 1 1 14 ARG N N -4.022 -17.289 1.755 1.00 . A A . 63 ILE N 1 1 12 2644 1 1 14 ARG O O -7.506 -18.156 1.389 1.00 . A A . 63 ILE O 1 1 12 2645 1 1 15 ILE C C -7.175 -17.742 -1.943 1.00 . A A . 64 LEU C 1 1 12 2646 1 1 15 ILE CA C -7.173 -16.676 -0.853 1.00 . A A . 64 LEU CA 1 1 12 2647 1 1 15 ILE CB C -6.836 -15.252 -1.378 1.00 . A A . 64 LEU CB 1 1 12 2648 1 1 15 ILE CD1 C -9.288 -14.539 -1.413 1.00 . A A . 64 LEU CD1 1 1 12 2649 1 1 15 ILE H H -5.149 -16.860 -0.127 1.00 . A A . 64 LEU H 1 1 12 2650 1 1 15 ILE HA H -8.114 -16.726 -0.333 1.00 . A A . 64 LEU HA 1 1 12 2651 1 1 15 ILE HD11 H -9.135 -13.894 -0.558 1.00 . A A . 64 LEU HD11 1 1 12 2652 1 1 15 ILE HD12 H -10.071 -14.112 -2.023 1.00 . A A . 64 LEU HD12 1 1 12 2653 1 1 15 ILE HD13 H -9.629 -15.502 -1.062 1.00 . A A . 64 LEU HD13 1 1 12 2654 1 1 15 ILE N N -6.082 -17.106 0.053 1.00 . A A . 64 LEU N 1 1 12 2655 1 1 15 ILE O O -7.455 -18.894 -1.663 1.00 . A A . 64 LEU O 1 1 12 2656 1 1 16 LEU C C -5.757 -19.475 -4.029 1.00 . A A . 65 GLN C 1 1 12 2657 1 1 16 LEU CA C -6.857 -18.431 -4.208 1.00 . A A . 65 GLN CA 1 1 12 2658 1 1 16 LEU CB C -6.727 -17.742 -5.613 1.00 . A A . 65 GLN CB 1 1 12 2659 1 1 16 LEU CG C -5.303 -17.167 -5.947 1.00 . A A . 65 GLN CG 1 1 12 2660 1 1 16 LEU H H -6.592 -16.475 -3.372 1.00 . A A . 65 GLN H 1 1 12 2661 1 1 16 LEU HA H -7.795 -18.955 -4.120 1.00 . A A . 65 GLN HA 1 1 12 2662 1 1 16 LEU HB3 H -6.971 -18.481 -6.359 1.00 . A A . 65 GLN HB2 1 1 12 2663 1 1 16 LEU N N -6.846 -17.394 -3.154 1.00 . A A . 65 GLN N 1 1 12 2664 1 1 16 LEU O O -5.419 -20.142 -4.983 1.00 . A A . 65 GLN O 1 1 12 2665 1 1 17 GLN C C -4.854 -22.013 -2.580 1.00 . A A . 66 GLN C 1 1 12 2666 1 1 17 GLN CA C -4.142 -20.659 -2.712 1.00 . A A . 66 GLN CA 1 1 12 2667 1 1 17 GLN CB C -3.303 -20.326 -1.460 1.00 . A A . 66 GLN CB 1 1 12 2668 1 1 17 GLN CD C -1.039 -20.712 -0.424 1.00 . A A . 66 GLN CD 1 1 12 2669 1 1 17 GLN CG C -2.052 -21.240 -1.435 1.00 . A A . 66 GLN CG 1 1 12 2670 1 1 17 GLN H H -5.499 -19.092 -2.071 1.00 . A A . 66 GLN H 1 1 12 2671 1 1 17 GLN HA H -3.522 -20.659 -3.599 1.00 . A A . 66 GLN HA 1 1 12 2672 1 1 17 GLN HB3 H -3.022 -19.280 -1.440 1.00 . A A . 66 GLN HB2 1 1 12 2673 1 1 17 GLN HE21 H -0.659 -19.066 -1.463 1.00 . A A . 66 GLN HE21 1 1 12 2674 1 1 17 GLN HE22 H 0.196 -19.248 -0.004 1.00 . A A . 66 GLN HE22 1 1 12 2675 1 1 17 GLN HG3 H -2.334 -22.237 -1.129 1.00 . A A . 66 GLN HG2 1 1 12 2676 1 1 17 GLN N N -5.213 -19.630 -2.851 1.00 . A A . 66 GLN N 1 1 12 2677 1 1 17 GLN NE2 N -0.453 -19.577 -0.656 1.00 . A A . 66 GLN NE2 1 1 12 2678 1 1 17 GLN O O -4.439 -23.019 -3.124 1.00 . A A . 66 GLN O 1 1 12 2679 1 1 17 GLN OE1 O -0.762 -21.321 0.585 1.00 . A A . 66 GLN OE1 1 1 12 2680 1 1 18 GLN C C -7.512 -23.499 -2.914 1.00 . A A . 67 LEU C 1 1 12 2681 1 1 18 GLN CA C -6.759 -23.211 -1.632 1.00 . A A . 67 LEU CA 1 1 12 2682 1 1 18 GLN CB C -7.744 -22.953 -0.481 1.00 . A A . 67 LEU CB 1 1 12 2683 1 1 18 GLN CG C -6.996 -22.523 0.807 1.00 . A A . 67 LEU CG 1 1 12 2684 1 1 18 GLN H H -6.252 -21.121 -1.496 1.00 . A A . 67 LEU H 1 1 12 2685 1 1 18 GLN HA H -6.100 -24.041 -1.424 1.00 . A A . 67 LEU HA 1 1 12 2686 1 1 18 GLN HB3 H -8.445 -22.184 -0.770 1.00 . A A . 67 LEU HB2 1 1 12 2687 1 1 18 GLN N N -5.949 -21.975 -1.867 1.00 . A A . 67 LEU N 1 1 12 2688 1 1 18 GLN O O -7.768 -24.617 -3.311 1.00 . A A . 67 LEU O 1 1 12 2689 1 1 19 LEU C C -7.627 -22.917 -5.891 1.00 . A A . 68 LEU C 1 1 12 2690 1 1 19 LEU CA C -8.584 -22.525 -4.814 1.00 . A A . 68 LEU CA 1 1 12 2691 1 1 19 LEU CB C -9.220 -21.174 -5.135 1.00 . A A . 68 LEU CB 1 1 12 2692 1 1 19 LEU CD1 C -10.779 -19.332 -4.358 1.00 . A A . 68 LEU CD1 1 1 12 2693 1 1 19 LEU CD2 C -11.445 -21.732 -4.021 1.00 . A A . 68 LEU CD2 1 1 12 2694 1 1 19 LEU CG C -10.243 -20.751 -4.040 1.00 . A A . 68 LEU CG 1 1 12 2695 1 1 19 LEU H H -7.611 -21.551 -3.171 1.00 . A A . 68 LEU H 1 1 12 2696 1 1 19 LEU HA H -9.260 -23.356 -4.747 1.00 . A A . 68 LEU HA 1 1 12 2697 1 1 19 LEU HB3 H -8.427 -20.449 -5.212 1.00 . A A . 68 LEU HB2 1 1 12 2698 1 1 19 LEU HD11 H -11.272 -19.314 -5.319 1.00 . A A . 68 LEU HD11 1 1 12 2699 1 1 19 LEU HD12 H -11.492 -19.035 -3.603 1.00 . A A . 68 LEU HD12 1 1 12 2700 1 1 19 LEU HD13 H -9.979 -18.606 -4.367 1.00 . A A . 68 LEU HD13 1 1 12 2701 1 1 19 LEU HD21 H -11.955 -21.736 -4.975 1.00 . A A . 68 LEU HD21 1 1 12 2702 1 1 19 LEU HD22 H -11.119 -22.737 -3.801 1.00 . A A . 68 LEU HD22 1 1 12 2703 1 1 19 LEU HD23 H -12.148 -21.432 -3.258 1.00 . A A . 68 LEU HD23 1 1 12 2704 1 1 19 LEU HG H -9.771 -20.740 -3.066 1.00 . A A . 68 LEU HG 1 1 12 2705 1 1 19 LEU N N -7.848 -22.420 -3.545 1.00 . A A . 68 LEU N 1 1 12 2706 1 1 19 LEU O O -7.992 -23.677 -6.757 1.00 . A A . 68 LEU O 1 1 12 2707 1 1 20 LEU C C -5.218 -24.248 -6.751 1.00 . A A . 69 PHE C 1 1 12 2708 1 1 20 LEU CA C -5.457 -22.790 -6.880 1.00 . A A . 69 PHE CA 1 1 12 2709 1 1 20 LEU CB C -4.143 -22.008 -6.668 1.00 . A A . 69 PHE CB 1 1 12 2710 1 1 20 LEU CD1 C -2.833 -22.892 -8.653 1.00 . A A . 69 PHE CD1 1 1 12 2711 1 1 20 LEU CD2 C -1.979 -23.295 -6.464 1.00 . A A . 69 PHE CD2 1 1 12 2712 1 1 20 LEU CG C -2.950 -22.753 -7.286 1.00 . A A . 69 PHE CG 1 1 12 2713 1 1 20 LEU H H -6.153 -21.845 -5.108 1.00 . A A . 69 PHE H 1 1 12 2714 1 1 20 LEU HA H -5.928 -22.652 -7.846 1.00 . A A . 69 PHE HA 1 1 12 2715 1 1 20 LEU HB3 H -4.219 -21.033 -7.125 1.00 . A A . 69 PHE HB2 1 1 12 2716 1 1 20 LEU N N -6.428 -22.429 -5.832 1.00 . A A . 69 PHE N 1 1 12 2717 1 1 20 LEU O O -5.065 -24.896 -7.762 1.00 . A A . 69 PHE O 1 1 12 2718 1 1 21 PHE C C -6.237 -26.960 -5.750 1.00 . A A . 70 ILE C 1 1 12 2719 1 1 21 PHE CA C -4.953 -26.201 -5.491 1.00 . A A . 70 ILE CA 1 1 12 2720 1 1 21 PHE CB C -4.302 -26.506 -4.113 1.00 . A A . 70 ILE CB 1 1 12 2721 1 1 21 PHE CD1 C -6.191 -27.122 -2.603 1.00 . A A . 70 ILE CD1 1 1 12 2722 1 1 21 PHE H H -5.362 -24.207 -4.750 1.00 . A A . 70 ILE H 1 1 12 2723 1 1 21 PHE HA H -4.269 -26.438 -6.256 1.00 . A A . 70 ILE HA 1 1 12 2724 1 1 21 PHE N N -5.203 -24.752 -5.551 1.00 . A A . 70 ILE N 1 1 12 2725 1 1 21 PHE O O -6.222 -28.055 -6.286 1.00 . A A . 70 ILE O 1 1 12 2726 1 1 22 ILE C C -8.839 -27.142 -7.120 1.00 . A A . 71 HIS C 1 1 12 2727 1 1 22 ILE CA C -8.630 -27.054 -5.616 1.00 . A A . 71 HIS CA 1 1 12 2728 1 1 22 ILE CB C -9.800 -26.268 -4.962 1.00 . A A . 71 HIS CB 1 1 12 2729 1 1 22 ILE H H -7.290 -25.457 -4.967 1.00 . A A . 71 HIS H 1 1 12 2730 1 1 22 ILE HA H -8.512 -28.050 -5.237 1.00 . A A . 71 HIS HA 1 1 12 2731 1 1 22 ILE HD11 H -12.487 -25.611 -4.531 1.00 . A A . 71 HIS HD1 1 1 12 2732 1 1 22 ILE HD12 H -10.506 -29.095 -5.661 1.00 . A A . 71 HIS HD2 1 1 12 2733 1 1 22 ILE N N -7.334 -26.350 -5.382 1.00 . A A . 71 HIS N 1 1 12 2734 1 1 22 ILE O O -9.364 -28.106 -7.634 1.00 . A A . 71 HIS O 1 1 12 2735 1 1 23 HIS C C -7.426 -26.822 -9.948 1.00 . A A . 72 PHE C 1 1 12 2736 1 1 23 HIS CA C -8.515 -26.005 -9.255 1.00 . A A . 72 PHE CA 1 1 12 2737 1 1 23 HIS CB C -8.415 -24.506 -9.664 1.00 . A A . 72 PHE CB 1 1 12 2738 1 1 23 HIS CD2 C -10.476 -23.330 -8.715 1.00 . A A . 72 PHE CD2 1 1 12 2739 1 1 23 HIS CE1 C -11.796 -23.522 -11.122 1.00 . A A . 72 PHE CE1 1 1 12 2740 1 1 23 HIS CG C -9.842 -23.933 -9.788 1.00 . A A . 72 PHE CG 1 1 12 2741 1 1 23 HIS H H -8.000 -25.401 -7.212 1.00 . A A . 72 PHE H 1 1 12 2742 1 1 23 HIS HA H -9.468 -26.417 -9.557 1.00 . A A . 72 PHE HA 1 1 12 2743 1 1 23 HIS HB3 H -7.888 -23.945 -8.914 1.00 . A A . 72 PHE HB2 1 1 12 2744 1 1 23 HIS HD1 H -10.043 -24.490 -11.845 1.00 . A A . 72 PHE HD1 1 1 12 2745 1 1 23 HIS HD2 H -9.968 -23.252 -7.766 1.00 . A A . 72 PHE HD2 1 1 12 2746 1 1 23 HIS HE1 H -12.310 -23.603 -12.069 1.00 . A A . 72 PHE HE1 1 1 12 2747 1 1 23 HIS N N -8.403 -26.106 -7.766 1.00 . A A . 72 PHE N 1 1 12 2748 1 1 23 HIS O O -7.700 -27.562 -10.869 1.00 . A A . 72 PHE O 1 1 12 2749 1 1 24 PHE C C -5.396 -28.898 -10.173 1.00 . A A . 73 ARG C 1 1 12 2750 1 1 24 PHE CA C -5.058 -27.406 -10.078 1.00 . A A . 73 ARG CA 1 1 12 2751 1 1 24 PHE CB C -3.804 -27.206 -9.182 1.00 . A A . 73 ARG CB 1 1 12 2752 1 1 24 PHE CG C -2.537 -27.936 -9.727 1.00 . A A . 73 ARG CG 1 1 12 2753 1 1 24 PHE CZ C -1.998 -26.897 -13.043 1.00 . A A . 73 ARG CZ 1 1 12 2754 1 1 24 PHE H H -6.070 -26.037 -8.736 1.00 . A A . 73 ARG H 1 1 12 2755 1 1 24 PHE HA H -4.892 -27.039 -11.078 1.00 . A A . 73 ARG HA 1 1 12 2756 1 1 24 PHE HB3 H -3.588 -26.151 -9.113 1.00 . A A . 73 ARG HB2 1 1 12 2757 1 1 24 PHE HD2 H -1.388 -26.137 -10.122 1.00 . A A . 73 ARG HD2 1 1 12 2758 1 1 24 PHE N N -6.215 -26.659 -9.482 1.00 . A A . 73 ARG N 1 1 12 2759 1 1 24 PHE O O -5.096 -29.536 -11.163 1.00 . A A . 73 ARG O 1 1 12 2760 1 1 25 ARG C C -7.869 -31.076 -9.465 1.00 . A A . 74 ILE C 1 1 12 2761 1 1 25 ARG CA C -6.382 -30.848 -9.114 1.00 . A A . 74 ILE CA 1 1 12 2762 1 1 25 ARG CB C -6.038 -31.372 -7.698 1.00 . A A . 74 ILE CB 1 1 12 2763 1 1 25 ARG H H -6.212 -28.859 -8.350 1.00 . A A . 74 ILE H 1 1 12 2764 1 1 25 ARG HA H -5.790 -31.373 -9.852 1.00 . A A . 74 ILE HA 1 1 12 2765 1 1 25 ARG N N -6.005 -29.409 -9.133 1.00 . A A . 74 ILE N 1 1 12 2766 1 1 25 ARG O O -8.205 -32.030 -10.139 1.00 . A A . 74 ILE O 1 1 12 2767 1 1 26 ILE C C -10.550 -29.988 -10.742 1.00 . A A . 75 GLY C 1 1 12 2768 1 1 26 ILE CA C -10.200 -30.355 -9.302 1.00 . A A . 75 GLY CA 1 1 12 2769 1 1 26 ILE H H -8.427 -29.445 -8.480 1.00 . A A . 75 GLY H 1 1 12 2770 1 1 26 ILE N N -8.732 -30.209 -9.013 1.00 . A A . 75 GLY N 1 1 12 2771 1 1 26 ILE O O -11.508 -29.295 -11.017 1.00 . A A . 75 GLY O 1 1 12 2772 1 1 27 GLY N N -9.804 -30.427 -11.709 1.00 . A A . 76 NH2 N 1 1 13 2773 1 1 1 ACE C C 6.009 2.284 5.407 1.00 . A A . 50 ACE C 1 1 13 2774 1 1 1 ACE CH3 C 6.225 1.650 6.776 1.00 . A A . 50 ACE CH3 1 1 13 2775 1 1 1 ACE O O 5.032 2.969 5.182 1.00 . A A . 50 ACE O 1 1 13 2776 1 1 2 TYR C C 3.566 -0.223 2.147 1.00 . A A . 51 GLY C 1 1 13 2777 1 1 2 TYR CA C 3.382 1.287 2.039 1.00 . A A . 51 GLY CA 1 1 13 2778 1 1 2 TYR H H 4.338 2.552 3.530 1.00 . A A . 51 GLY H 1 1 13 2779 1 1 2 TYR N N 4.507 1.984 2.745 1.00 . A A . 51 GLY N 1 1 13 2780 1 1 2 TYR O O 3.128 -0.989 1.313 1.00 . A A . 51 GLY O 1 1 13 2781 1 1 3 GLY C C 3.214 -2.677 4.086 1.00 . A A . 52 ASP C 1 1 13 2782 1 1 3 GLY CA C 4.476 -2.069 3.485 1.00 . A A . 52 ASP CA 1 1 13 2783 1 1 3 GLY H H 4.479 0.039 3.873 1.00 . A A . 52 ASP H 1 1 13 2784 1 1 3 GLY N N 4.197 -0.624 3.217 1.00 . A A . 52 ASP N 1 1 13 2785 1 1 3 GLY O O 3.267 -3.494 4.983 1.00 . A A . 52 ASP O 1 1 13 2786 1 1 4 ASP C C 0.401 -4.065 3.397 1.00 . A A . 53 THR C 1 1 13 2787 1 1 4 ASP CA C 0.799 -2.775 4.068 1.00 . A A . 53 THR CA 1 1 13 2788 1 1 4 ASP CB C -0.234 -1.613 3.869 1.00 . A A . 53 THR CB 1 1 13 2789 1 1 4 ASP H H 2.109 -1.617 2.822 1.00 . A A . 53 THR H 1 1 13 2790 1 1 4 ASP HA H 0.974 -3.027 5.070 1.00 . A A . 53 THR HA 1 1 13 2791 1 1 4 ASP N N 2.095 -2.261 3.557 1.00 . A A . 53 THR N 1 1 13 2792 1 1 4 ASP O O -0.373 -4.878 3.873 1.00 . A A . 53 THR O 1 1 13 2793 1 1 5 THR C C 1.016 -6.723 2.233 1.00 . A A . 54 TRP C 1 1 13 2794 1 1 5 THR CA C 0.713 -5.436 1.477 1.00 . A A . 54 TRP CA 1 1 13 2795 1 1 5 THR CB C 1.519 -5.382 0.172 1.00 . A A . 54 TRP CB 1 1 13 2796 1 1 5 THR H H 1.624 -3.518 1.987 1.00 . A A . 54 TRP H 1 1 13 2797 1 1 5 THR HA H -0.350 -5.402 1.333 1.00 . A A . 54 TRP HA 1 1 13 2798 1 1 5 THR N N 1.003 -4.218 2.264 1.00 . A A . 54 TRP N 1 1 13 2799 1 1 5 THR O O 0.507 -7.770 1.881 1.00 . A A . 54 TRP O 1 1 13 2800 1 1 6 TRP C C 0.827 -8.419 4.621 1.00 . A A . 55 ALA C 1 1 13 2801 1 1 6 TRP CA C 2.144 -7.878 4.027 1.00 . A A . 55 ALA CA 1 1 13 2802 1 1 6 TRP CB C 3.131 -7.535 5.151 1.00 . A A . 55 ALA CB 1 1 13 2803 1 1 6 TRP H H 2.217 -5.768 3.497 1.00 . A A . 55 ALA H 1 1 13 2804 1 1 6 TRP HA H 2.549 -8.622 3.355 1.00 . A A . 55 ALA HA 1 1 13 2805 1 1 6 TRP HB2 H 4.052 -7.137 4.749 1.00 . A A . 55 ALA HB1 1 1 13 2806 1 1 6 TRP HB3 H 2.700 -6.808 5.825 1.00 . A A . 55 ALA HB2 1 1 13 2807 1 1 6 TRP N N 1.828 -6.635 3.253 1.00 . A A . 55 ALA N 1 1 13 2808 1 1 6 TRP O O 0.659 -9.603 4.841 1.00 . A A . 55 ALA O 1 1 13 2809 1 1 7 ALA C C -2.138 -8.615 4.323 1.00 . A A . 56 GLY C 1 1 13 2810 1 1 7 ALA CA C -1.402 -7.891 5.429 1.00 . A A . 56 GLY CA 1 1 13 2811 1 1 7 ALA H H 0.098 -6.572 4.628 1.00 . A A . 56 GLY H 1 1 13 2812 1 1 7 ALA N N -0.084 -7.509 4.852 1.00 . A A . 56 GLY N 1 1 13 2813 1 1 7 ALA O O -2.651 -9.693 4.517 1.00 . A A . 56 GLY O 1 1 13 2814 1 1 8 GLY C C -2.334 -10.020 1.769 1.00 . A A . 57 VAL C 1 1 13 2815 1 1 8 GLY CA C -2.842 -8.586 1.995 1.00 . A A . 57 VAL CA 1 1 13 2816 1 1 8 GLY H H -1.712 -7.134 3.078 1.00 . A A . 57 VAL H 1 1 13 2817 1 1 8 GLY N N -2.157 -7.998 3.176 1.00 . A A . 57 VAL N 1 1 13 2818 1 1 8 GLY O O -3.099 -10.953 1.588 1.00 . A A . 57 VAL O 1 1 13 2819 1 1 9 VAL C C -0.984 -12.542 2.577 1.00 . A A . 58 GLU C 1 1 13 2820 1 1 9 VAL CA C -0.452 -11.517 1.578 1.00 . A A . 58 GLU CA 1 1 13 2821 1 1 9 VAL CB C 1.087 -11.438 1.711 1.00 . A A . 58 GLU CB 1 1 13 2822 1 1 9 VAL H H -0.457 -9.371 1.938 1.00 . A A . 58 GLU H 1 1 13 2823 1 1 9 VAL HA H -0.778 -11.859 0.604 1.00 . A A . 58 GLU HA 1 1 13 2824 1 1 9 VAL N N -1.037 -10.156 1.787 1.00 . A A . 58 GLU N 1 1 13 2825 1 1 9 VAL O O -1.040 -13.719 2.280 1.00 . A A . 58 GLU O 1 1 13 2826 1 1 10 GLU C C -3.265 -13.587 4.306 1.00 . A A . 59 ALA C 1 1 13 2827 1 1 10 GLU CA C -1.903 -13.052 4.740 1.00 . A A . 59 ALA CA 1 1 13 2828 1 1 10 GLU CB C -2.005 -12.323 6.089 1.00 . A A . 59 ALA CB 1 1 13 2829 1 1 10 GLU H H -1.354 -11.114 3.909 1.00 . A A . 59 ALA H 1 1 13 2830 1 1 10 GLU HA H -1.226 -13.894 4.788 1.00 . A A . 59 ALA HA 1 1 13 2831 1 1 10 GLU HB2 H -1.031 -11.954 6.380 1.00 . A A . 59 ALA HB1 1 1 13 2832 1 1 10 GLU HB3 H -2.682 -11.484 6.017 1.00 . A A . 59 ALA HB2 1 1 13 2833 1 1 10 GLU N N -1.384 -12.082 3.727 1.00 . A A . 59 ALA N 1 1 13 2834 1 1 10 GLU O O -3.732 -14.600 4.783 1.00 . A A . 59 ALA O 1 1 13 2835 1 1 11 ALA C C -4.996 -14.145 1.656 1.00 . A A . 60 ILE C 1 1 13 2836 1 1 11 ALA CA C -5.189 -13.246 2.859 1.00 . A A . 60 ILE CA 1 1 13 2837 1 1 11 ALA CB C -5.924 -11.944 2.457 1.00 . A A . 60 ILE CB 1 1 13 2838 1 1 11 ALA H H -3.396 -12.075 3.062 1.00 . A A . 60 ILE H 1 1 13 2839 1 1 11 ALA HA H -5.718 -13.835 3.596 1.00 . A A . 60 ILE HA 1 1 13 2840 1 1 11 ALA N N -3.853 -12.874 3.396 1.00 . A A . 60 ILE N 1 1 13 2841 1 1 11 ALA O O -5.550 -15.227 1.571 1.00 . A A . 60 ILE O 1 1 13 2842 1 1 12 ILE C C -3.336 -15.775 -0.035 1.00 . A A . 61 ILE C 1 1 13 2843 1 1 12 ILE CA C -3.940 -14.454 -0.472 1.00 . A A . 61 ILE CA 1 1 13 2844 1 1 12 ILE CB C -3.022 -13.595 -1.401 1.00 . A A . 61 ILE CB 1 1 13 2845 1 1 12 ILE CD1 C -0.883 -14.791 -1.470 1.00 . A A . 61 ILE CD1 1 1 13 2846 1 1 12 ILE CG1 C -1.598 -13.557 -0.931 1.00 . A A . 61 ILE CG1 1 1 13 2847 1 1 12 ILE CG2 C -3.585 -12.158 -1.555 1.00 . A A . 61 ILE CG2 1 1 13 2848 1 1 12 ILE H H -3.751 -12.789 0.874 1.00 . A A . 61 ILE H 1 1 13 2849 1 1 12 ILE HA H -4.848 -14.684 -0.975 1.00 . A A . 61 ILE HA 1 1 13 2850 1 1 12 ILE HB H -3.003 -14.019 -2.381 1.00 . A A . 61 ILE HB 1 1 13 2851 1 1 12 ILE HD11 H -1.326 -15.710 -1.130 1.00 . A A . 61 ILE HD11 1 1 13 2852 1 1 12 ILE HD12 H -0.922 -14.768 -2.547 1.00 . A A . 61 ILE HD12 1 1 13 2853 1 1 12 ILE HD13 H 0.135 -14.757 -1.129 1.00 . A A . 61 ILE HD13 1 1 13 2854 1 1 12 ILE HG13 H -1.110 -12.662 -1.283 1.00 . A A . 61 ILE HG12 1 1 13 2855 1 1 12 ILE HG21 H -4.581 -12.187 -1.975 1.00 . A A . 61 ILE HG21 1 1 13 2856 1 1 12 ILE HG22 H -3.631 -11.637 -0.611 1.00 . A A . 61 ILE HG22 1 1 13 2857 1 1 12 ILE HG23 H -2.958 -11.584 -2.222 1.00 . A A . 61 ILE HG23 1 1 13 2858 1 1 12 ILE N N -4.191 -13.660 0.749 1.00 . A A . 61 ILE N 1 1 13 2859 1 1 12 ILE O O -3.636 -16.782 -0.646 1.00 . A A . 61 ILE O 1 1 13 2860 1 1 13 ILE C C -2.971 -18.119 1.726 1.00 . A A . 62 ARG C 1 1 13 2861 1 1 13 ILE CA C -1.917 -17.046 1.453 1.00 . A A . 62 ARG CA 1 1 13 2862 1 1 13 ILE CB C -1.091 -16.806 2.718 1.00 . A A . 62 ARG CB 1 1 13 2863 1 1 13 ILE H H -2.298 -14.921 1.471 1.00 . A A . 62 ARG H 1 1 13 2864 1 1 13 ILE HA H -1.241 -17.404 0.691 1.00 . A A . 62 ARG HA 1 1 13 2865 1 1 13 ILE HD12 H 1.335 -15.866 3.979 1.00 . A A . 62 ARG HD2 1 1 13 2866 1 1 13 ILE HD13 H 1.066 -17.619 3.959 1.00 . A A . 62 ARG HD3 1 1 13 2867 1 1 13 ILE N N -2.522 -15.760 0.997 1.00 . A A . 62 ARG N 1 1 13 2868 1 1 13 ILE O O -2.627 -19.279 1.834 1.00 . A A . 62 ARG O 1 1 13 2869 1 1 14 ARG C C -6.357 -18.692 0.995 1.00 . A A . 63 ILE C 1 1 13 2870 1 1 14 ARG CA C -5.272 -18.739 2.092 1.00 . A A . 63 ILE CA 1 1 13 2871 1 1 14 ARG CB C -5.838 -18.439 3.499 1.00 . A A . 63 ILE CB 1 1 13 2872 1 1 14 ARG H H -4.490 -16.787 1.798 1.00 . A A . 63 ILE H 1 1 13 2873 1 1 14 ARG HA H -4.838 -19.727 2.073 1.00 . A A . 63 ILE HA 1 1 13 2874 1 1 14 ARG N N -4.217 -17.731 1.845 1.00 . A A . 63 ILE N 1 1 13 2875 1 1 14 ARG O O -6.728 -19.709 0.439 1.00 . A A . 63 ILE O 1 1 13 2876 1 1 15 ILE C C -7.614 -17.954 -1.578 1.00 . A A . 64 LEU C 1 1 13 2877 1 1 15 ILE CA C -7.853 -17.193 -0.292 1.00 . A A . 64 LEU CA 1 1 13 2878 1 1 15 ILE CB C -7.853 -15.643 -0.501 1.00 . A A . 64 LEU CB 1 1 13 2879 1 1 15 ILE CD1 C -10.316 -15.452 -1.134 1.00 . A A . 64 LEU CD1 1 1 13 2880 1 1 15 ILE H H -6.383 -16.745 1.182 1.00 . A A . 64 LEU H 1 1 13 2881 1 1 15 ILE HA H -8.801 -17.512 0.103 1.00 . A A . 64 LEU HA 1 1 13 2882 1 1 15 ILE HD11 H -10.533 -14.895 -0.234 1.00 . A A . 64 LEU HD11 1 1 13 2883 1 1 15 ILE HD12 H -11.005 -15.136 -1.905 1.00 . A A . 64 LEU HD12 1 1 13 2884 1 1 15 ILE HD13 H -10.491 -16.500 -0.943 1.00 . A A . 64 LEU HD13 1 1 13 2885 1 1 15 ILE N N -6.794 -17.493 0.716 1.00 . A A . 64 LEU N 1 1 13 2886 1 1 15 ILE O O -8.123 -19.041 -1.770 1.00 . A A . 64 LEU O 1 1 13 2887 1 1 16 LEU C C -5.576 -19.206 -3.455 1.00 . A A . 65 GLN C 1 1 13 2888 1 1 16 LEU CA C -6.614 -18.142 -3.695 1.00 . A A . 65 GLN CA 1 1 13 2889 1 1 16 LEU CB C -6.153 -17.196 -4.815 1.00 . A A . 65 GLN CB 1 1 13 2890 1 1 16 LEU CG C -4.933 -16.353 -4.402 1.00 . A A . 65 GLN CG 1 1 13 2891 1 1 16 LEU H H -6.417 -16.518 -2.310 1.00 . A A . 65 GLN H 1 1 13 2892 1 1 16 LEU HA H -7.523 -18.658 -3.937 1.00 . A A . 65 GLN HA 1 1 13 2893 1 1 16 LEU HB3 H -5.889 -17.795 -5.670 1.00 . A A . 65 GLN HB2 1 1 13 2894 1 1 16 LEU N N -6.836 -17.386 -2.453 1.00 . A A . 65 GLN N 1 1 13 2895 1 1 16 LEU O O -5.203 -19.886 -4.386 1.00 . A A . 65 GLN O 1 1 13 2896 1 1 17 GLN C C -4.817 -21.778 -2.063 1.00 . A A . 66 GLN C 1 1 13 2897 1 1 17 GLN CA C -4.100 -20.431 -2.051 1.00 . A A . 66 GLN CA 1 1 13 2898 1 1 17 GLN CB C -3.393 -20.229 -0.710 1.00 . A A . 66 GLN CB 1 1 13 2899 1 1 17 GLN CD C -1.285 -19.228 -1.744 1.00 . A A . 66 GLN CD 1 1 13 2900 1 1 17 GLN CG C -1.854 -20.359 -0.874 1.00 . A A . 66 GLN CG 1 1 13 2901 1 1 17 GLN H H -5.462 -18.810 -1.486 1.00 . A A . 66 GLN H 1 1 13 2902 1 1 17 GLN HA H -3.409 -20.411 -2.883 1.00 . A A . 66 GLN HA 1 1 13 2903 1 1 17 GLN HB3 H -3.640 -19.256 -0.324 1.00 . A A . 66 GLN HB2 1 1 13 2904 1 1 17 GLN HE21 H -2.938 -18.122 -1.746 1.00 . A A . 66 GLN HE21 1 1 13 2905 1 1 17 GLN HE22 H -1.624 -17.511 -2.628 1.00 . A A . 66 GLN HE22 1 1 13 2906 1 1 17 GLN HG3 H -1.373 -20.312 0.093 1.00 . A A . 66 GLN HG2 1 1 13 2907 1 1 17 GLN N N -5.128 -19.364 -2.239 1.00 . A A . 66 GLN N 1 1 13 2908 1 1 17 GLN NE2 N -2.014 -18.203 -2.064 1.00 . A A . 66 GLN NE2 1 1 13 2909 1 1 17 GLN O O -4.313 -22.762 -2.569 1.00 . A A . 66 GLN O 1 1 13 2910 1 1 17 GLN OE1 O -0.146 -19.262 -2.154 1.00 . A A . 66 GLN OE1 1 1 13 2911 1 1 18 GLN C C -7.489 -23.204 -2.791 1.00 . A A . 67 LEU C 1 1 13 2912 1 1 18 GLN CA C -6.766 -23.045 -1.473 1.00 . A A . 67 LEU CA 1 1 13 2913 1 1 18 GLN CB C -7.722 -22.980 -0.239 1.00 . A A . 67 LEU CB 1 1 13 2914 1 1 18 GLN CG C -8.841 -21.902 -0.309 1.00 . A A . 67 LEU CG 1 1 13 2915 1 1 18 GLN H H -6.399 -20.940 -1.155 1.00 . A A . 67 LEU H 1 1 13 2916 1 1 18 GLN HA H -6.072 -23.865 -1.367 1.00 . A A . 67 LEU HA 1 1 13 2917 1 1 18 GLN HB3 H -8.174 -23.950 -0.137 1.00 . A A . 67 LEU HB2 1 1 13 2918 1 1 18 GLN N N -6.005 -21.770 -1.515 1.00 . A A . 67 LEU N 1 1 13 2919 1 1 18 GLN O O -7.766 -24.293 -3.248 1.00 . A A . 67 LEU O 1 1 13 2920 1 1 19 LEU C C -7.515 -22.504 -5.788 1.00 . A A . 68 LEU C 1 1 13 2921 1 1 19 LEU CA C -8.480 -22.129 -4.696 1.00 . A A . 68 LEU CA 1 1 13 2922 1 1 19 LEU CB C -9.074 -20.751 -4.982 1.00 . A A . 68 LEU CB 1 1 13 2923 1 1 19 LEU CD1 C -10.505 -18.854 -4.138 1.00 . A A . 68 LEU CD1 1 1 13 2924 1 1 19 LEU CD2 C -11.403 -21.183 -4.067 1.00 . A A . 68 LEU CD2 1 1 13 2925 1 1 19 LEU CG C -10.116 -20.330 -3.911 1.00 . A A . 68 LEU CG 1 1 13 2926 1 1 19 LEU H H -7.526 -21.249 -2.988 1.00 . A A . 68 LEU H 1 1 13 2927 1 1 19 LEU HA H -9.189 -22.934 -4.680 1.00 . A A . 68 LEU HA 1 1 13 2928 1 1 19 LEU HB3 H -8.257 -20.049 -5.015 1.00 . A A . 68 LEU HB2 1 1 13 2929 1 1 19 LEU HD11 H -10.931 -18.714 -5.120 1.00 . A A . 68 LEU HD11 1 1 13 2930 1 1 19 LEU HD12 H -11.237 -18.550 -3.403 1.00 . A A . 68 LEU HD12 1 1 13 2931 1 1 19 LEU HD13 H -9.645 -18.211 -4.038 1.00 . A A . 68 LEU HD13 1 1 13 2932 1 1 19 LEU HD21 H -11.841 -21.045 -5.046 1.00 . A A . 68 LEU HD21 1 1 13 2933 1 1 19 LEU HD22 H -11.188 -22.233 -3.936 1.00 . A A . 68 LEU HD22 1 1 13 2934 1 1 19 LEU HD23 H -12.131 -20.894 -3.324 1.00 . A A . 68 LEU HD23 1 1 13 2935 1 1 19 LEU HG H -9.709 -20.439 -2.915 1.00 . A A . 68 LEU HG 1 1 13 2936 1 1 19 LEU N N -7.776 -22.095 -3.397 1.00 . A A . 68 LEU N 1 1 13 2937 1 1 19 LEU O O -7.868 -23.238 -6.680 1.00 . A A . 68 LEU O 1 1 13 2938 1 1 20 LEU C C -5.052 -23.802 -6.694 1.00 . A A . 69 PHE C 1 1 13 2939 1 1 20 LEU CA C -5.321 -22.341 -6.740 1.00 . A A . 69 PHE CA 1 1 13 2940 1 1 20 LEU CB C -4.031 -21.522 -6.461 1.00 . A A . 69 PHE CB 1 1 13 2941 1 1 20 LEU CD1 C -2.547 -22.438 -8.300 1.00 . A A . 69 PHE CD1 1 1 13 2942 1 1 20 LEU CD2 C -1.854 -22.725 -6.039 1.00 . A A . 69 PHE CD2 1 1 13 2943 1 1 20 LEU CG C -2.774 -22.249 -6.956 1.00 . A A . 69 PHE CG 1 1 13 2944 1 1 20 LEU H H -6.038 -21.462 -4.950 1.00 . A A . 69 PHE H 1 1 13 2945 1 1 20 LEU HA H -5.782 -22.163 -7.703 1.00 . A A . 69 PHE HA 1 1 13 2946 1 1 20 LEU HB3 H -4.088 -20.557 -6.944 1.00 . A A . 69 PHE HB2 1 1 13 2947 1 1 20 LEU N N -6.314 -22.020 -5.698 1.00 . A A . 69 PHE N 1 1 13 2948 1 1 20 LEU O O -4.824 -24.394 -7.726 1.00 . A A . 69 PHE O 1 1 13 2949 1 1 21 PHE C C -6.078 -26.568 -5.801 1.00 . A A . 70 ILE C 1 1 13 2950 1 1 21 PHE CA C -4.822 -25.804 -5.502 1.00 . A A . 70 ILE CA 1 1 13 2951 1 1 21 PHE CB C -4.198 -26.153 -4.129 1.00 . A A . 70 ILE CB 1 1 13 2952 1 1 21 PHE CD1 C -6.070 -26.993 -2.698 1.00 . A A . 70 ILE CD1 1 1 13 2953 1 1 21 PHE H H -5.321 -23.872 -4.703 1.00 . A A . 70 ILE H 1 1 13 2954 1 1 21 PHE HA H -4.124 -26.001 -6.266 1.00 . A A . 70 ILE HA 1 1 13 2955 1 1 21 PHE N N -5.100 -24.365 -5.522 1.00 . A A . 70 ILE N 1 1 13 2956 1 1 21 PHE O O -6.025 -27.640 -6.371 1.00 . A A . 70 ILE O 1 1 13 2957 1 1 22 ILE C C -8.582 -26.791 -7.239 1.00 . A A . 71 HIS C 1 1 13 2958 1 1 22 ILE CA C -8.451 -26.749 -5.721 1.00 . A A . 71 HIS CA 1 1 13 2959 1 1 22 ILE CB C -9.636 -26.009 -5.072 1.00 . A A . 71 HIS CB 1 1 13 2960 1 1 22 ILE H H -7.205 -25.116 -4.992 1.00 . A A . 71 HIS H 1 1 13 2961 1 1 22 ILE HA H -8.324 -27.752 -5.368 1.00 . A A . 71 HIS HA 1 1 13 2962 1 1 22 ILE HD11 H -11.318 -27.002 -3.060 1.00 . A A . 71 HIS HD1 1 1 13 2963 1 1 22 ILE HD12 H -11.139 -27.371 -7.191 1.00 . A A . 71 HIS HD2 1 1 13 2964 1 1 22 ILE N N -7.196 -26.000 -5.434 1.00 . A A . 71 HIS N 1 1 13 2965 1 1 22 ILE O O -8.925 -27.784 -7.848 1.00 . A A . 71 HIS O 1 1 13 2966 1 1 23 HIS C C -7.222 -26.250 -9.968 1.00 . A A . 72 PHE C 1 1 13 2967 1 1 23 HIS CA C -8.338 -25.492 -9.275 1.00 . A A . 72 PHE CA 1 1 13 2968 1 1 23 HIS CB C -8.259 -23.976 -9.610 1.00 . A A . 72 PHE CB 1 1 13 2969 1 1 23 HIS CD2 C -10.338 -23.432 -10.951 1.00 . A A . 72 PHE CD2 1 1 13 2970 1 1 23 HIS CE1 C -11.714 -22.617 -8.708 1.00 . A A . 72 PHE CE1 1 1 13 2971 1 1 23 HIS CG C -9.709 -23.468 -9.718 1.00 . A A . 72 PHE CG 1 1 13 2972 1 1 23 HIS H H -7.997 -24.947 -7.182 1.00 . A A . 72 PHE H 1 1 13 2973 1 1 23 HIS HA H -9.269 -25.912 -9.621 1.00 . A A . 72 PHE HA 1 1 13 2974 1 1 23 HIS HB3 H -7.758 -23.431 -8.832 1.00 . A A . 72 PHE HB2 1 1 13 2975 1 1 23 HIS HD1 H -9.936 -23.077 -7.631 1.00 . A A . 72 PHE HD1 1 1 13 2976 1 1 23 HIS HD2 H -9.810 -23.749 -11.839 1.00 . A A . 72 PHE HD2 1 1 13 2977 1 1 23 HIS HE1 H -12.251 -22.296 -7.826 1.00 . A A . 72 PHE HE1 1 1 13 2978 1 1 23 HIS N N -8.274 -25.662 -7.793 1.00 . A A . 72 PHE N 1 1 13 2979 1 1 23 HIS O O -7.477 -27.011 -10.878 1.00 . A A . 72 PHE O 1 1 13 2980 1 1 24 PHE C C -5.101 -28.257 -10.132 1.00 . A A . 73 ARG C 1 1 13 2981 1 1 24 PHE CA C -4.860 -26.746 -10.152 1.00 . A A . 73 ARG CA 1 1 13 2982 1 1 24 PHE CB C -3.551 -26.414 -9.386 1.00 . A A . 73 ARG CB 1 1 13 2983 1 1 24 PHE CG C -2.373 -27.133 -10.086 1.00 . A A . 73 ARG CG 1 1 13 2984 1 1 24 PHE CZ C -0.026 -27.979 -7.707 1.00 . A A . 73 ARG CZ 1 1 13 2985 1 1 24 PHE H H -5.887 -25.415 -8.771 1.00 . A A . 73 ARG H 1 1 13 2986 1 1 24 PHE HA H -4.784 -26.426 -11.181 1.00 . A A . 73 ARG HA 1 1 13 2987 1 1 24 PHE HB3 H -3.382 -25.348 -9.402 1.00 . A A . 73 ARG HB2 1 1 13 2988 1 1 24 PHE HD2 H -0.211 -27.144 -10.068 1.00 . A A . 73 ARG HD2 1 1 13 2989 1 1 24 PHE N N -6.017 -26.037 -9.518 1.00 . A A . 73 ARG N 1 1 13 2990 1 1 24 PHE O O -4.788 -28.943 -11.084 1.00 . A A . 73 ARG O 1 1 13 2991 1 1 25 ARG C C -7.328 -30.521 -9.483 1.00 . A A . 74 ILE C 1 1 13 2992 1 1 25 ARG CA C -5.924 -30.196 -8.932 1.00 . A A . 74 ILE CA 1 1 13 2993 1 1 25 ARG CB C -5.776 -30.548 -7.435 1.00 . A A . 74 ILE CB 1 1 13 2994 1 1 25 ARG H H -5.870 -28.150 -8.287 1.00 . A A . 74 ILE H 1 1 13 2995 1 1 25 ARG HA H -5.198 -30.738 -9.522 1.00 . A A . 74 ILE HA 1 1 13 2996 1 1 25 ARG N N -5.646 -28.734 -9.046 1.00 . A A . 74 ILE N 1 1 13 2997 1 1 25 ARG O O -7.674 -31.668 -9.701 1.00 . A A . 74 ILE O 1 1 13 2998 1 1 26 ILE C C -10.417 -30.111 -9.089 1.00 . A A . 75 GLY C 1 1 13 2999 1 1 26 ILE CA C -9.497 -29.660 -10.219 1.00 . A A . 75 GLY CA 1 1 13 3000 1 1 26 ILE H H -7.769 -28.603 -9.482 1.00 . A A . 75 GLY H 1 1 13 3001 1 1 26 ILE N N -8.108 -29.499 -9.688 1.00 . A A . 75 GLY N 1 1 13 3002 1 1 26 ILE O O -11.481 -29.574 -8.866 1.00 . A A . 75 GLY O 1 1 13 3003 1 1 27 GLY N N -10.041 -31.103 -8.342 1.00 . A A . 76 NH2 N 1 1 14 3004 1 1 1 ACE C C 4.469 4.427 3.972 1.00 . A A . 50 ACE C 1 1 14 3005 1 1 1 ACE CH3 C 5.001 4.460 5.403 1.00 . A A . 50 ACE CH3 1 1 14 3006 1 1 1 ACE O O 5.138 4.900 3.077 1.00 . A A . 50 ACE O 1 1 14 3007 1 1 2 TYR C C 2.908 -1.006 2.211 1.00 . A A . 51 GLY C 1 1 14 3008 1 1 2 TYR CA C 2.719 0.133 1.208 1.00 . A A . 51 GLY CA 1 1 14 3009 1 1 2 TYR H H 1.470 1.465 2.370 1.00 . A A . 51 GLY H 1 1 14 3010 1 1 2 TYR N N 2.315 1.417 1.873 1.00 . A A . 51 GLY N 1 1 14 3011 1 1 2 TYR O O 2.957 -2.168 1.860 1.00 . A A . 51 GLY O 1 1 14 3012 1 1 3 GLY C C 1.856 -2.401 4.690 1.00 . A A . 52 ASP C 1 1 14 3013 1 1 3 GLY CA C 3.182 -1.667 4.537 1.00 . A A . 52 ASP CA 1 1 14 3014 1 1 3 GLY H H 2.907 0.291 3.701 1.00 . A A . 52 ASP H 1 1 14 3015 1 1 3 GLY N N 2.988 -0.650 3.460 1.00 . A A . 52 ASP N 1 1 14 3016 1 1 3 GLY O O 1.754 -3.449 5.298 1.00 . A A . 52 ASP O 1 1 14 3017 1 1 4 ASP C C -0.554 -3.704 3.494 1.00 . A A . 53 THR C 1 1 14 3018 1 1 4 ASP CA C -0.506 -2.352 4.133 1.00 . A A . 53 THR CA 1 1 14 3019 1 1 4 ASP CB C -1.433 -1.338 3.399 1.00 . A A . 53 THR CB 1 1 14 3020 1 1 4 ASP H H 0.953 -0.995 3.578 1.00 . A A . 53 THR H 1 1 14 3021 1 1 4 ASP HA H -0.699 -2.495 5.151 1.00 . A A . 53 THR HA 1 1 14 3022 1 1 4 ASP N N 0.856 -1.815 4.093 1.00 . A A . 53 THR N 1 1 14 3023 1 1 4 ASP O O -1.307 -4.596 3.844 1.00 . A A . 53 THR O 1 1 14 3024 1 1 5 THR C C 0.835 -6.217 2.670 1.00 . A A . 54 TRP C 1 1 14 3025 1 1 5 THR CA C 0.406 -5.041 1.810 1.00 . A A . 54 TRP CA 1 1 14 3026 1 1 5 THR CB C 1.364 -4.874 0.624 1.00 . A A . 54 TRP CB 1 1 14 3027 1 1 5 THR H H 0.892 -2.999 2.397 1.00 . A A . 54 TRP H 1 1 14 3028 1 1 5 THR HA H -0.603 -5.173 1.487 1.00 . A A . 54 TRP HA 1 1 14 3029 1 1 5 THR N N 0.326 -3.781 2.553 1.00 . A A . 54 TRP N 1 1 14 3030 1 1 5 THR O O 0.645 -7.353 2.278 1.00 . A A . 54 TRP O 1 1 14 3031 1 1 6 TRP C C 0.572 -7.831 5.163 1.00 . A A . 55 ALA C 1 1 14 3032 1 1 6 TRP CA C 1.825 -7.086 4.683 1.00 . A A . 55 ALA CA 1 1 14 3033 1 1 6 TRP CB C 2.611 -6.547 5.885 1.00 . A A . 55 ALA CB 1 1 14 3034 1 1 6 TRP H H 1.532 -5.008 4.102 1.00 . A A . 55 ALA H 1 1 14 3035 1 1 6 TRP HA H 2.403 -7.777 4.084 1.00 . A A . 55 ALA HA 1 1 14 3036 1 1 6 TRP HB2 H 3.488 -6.008 5.558 1.00 . A A . 55 ALA HB1 1 1 14 3037 1 1 6 TRP HB3 H 1.992 -5.886 6.474 1.00 . A A . 55 ALA HB2 1 1 14 3038 1 1 6 TRP N N 1.398 -5.942 3.819 1.00 . A A . 55 ALA N 1 1 14 3039 1 1 6 TRP O O 0.582 -9.032 5.350 1.00 . A A . 55 ALA O 1 1 14 3040 1 1 7 ALA C C -2.280 -8.448 4.593 1.00 . A A . 56 GLY C 1 1 14 3041 1 1 7 ALA CA C -1.762 -7.702 5.803 1.00 . A A . 56 GLY CA 1 1 14 3042 1 1 7 ALA H H -0.446 -6.127 5.151 1.00 . A A . 56 GLY H 1 1 14 3043 1 1 7 ALA N N -0.489 -7.085 5.338 1.00 . A A . 56 GLY N 1 1 14 3044 1 1 7 ALA O O -2.625 -9.608 4.663 1.00 . A A . 56 GLY O 1 1 14 3045 1 1 8 GLY C C -2.119 -9.695 1.977 1.00 . A A . 57 VAL C 1 1 14 3046 1 1 8 GLY CA C -2.787 -8.331 2.216 1.00 . A A . 57 VAL CA 1 1 14 3047 1 1 8 GLY H H -2.006 -6.810 3.499 1.00 . A A . 57 VAL H 1 1 14 3048 1 1 8 GLY N N -2.306 -7.743 3.494 1.00 . A A . 57 VAL N 1 1 14 3049 1 1 8 GLY O O -2.769 -10.687 1.694 1.00 . A A . 57 VAL O 1 1 14 3050 1 1 9 VAL C C -0.586 -12.091 2.779 1.00 . A A . 58 GLU C 1 1 14 3051 1 1 9 VAL CA C -0.055 -10.966 1.904 1.00 . A A . 58 GLU CA 1 1 14 3052 1 1 9 VAL CB C 1.407 -10.690 2.252 1.00 . A A . 58 GLU CB 1 1 14 3053 1 1 9 VAL H H -0.343 -8.882 2.347 1.00 . A A . 58 GLU H 1 1 14 3054 1 1 9 VAL HA H -0.207 -11.293 0.883 1.00 . A A . 58 GLU HA 1 1 14 3055 1 1 9 VAL N N -0.823 -9.706 2.108 1.00 . A A . 58 GLU N 1 1 14 3056 1 1 9 VAL O O -0.514 -13.248 2.417 1.00 . A A . 58 GLU O 1 1 14 3057 1 1 10 GLU C C -2.919 -13.405 4.196 1.00 . A A . 59 ALA C 1 1 14 3058 1 1 10 GLU CA C -1.654 -12.808 4.802 1.00 . A A . 59 ALA CA 1 1 14 3059 1 1 10 GLU CB C -1.944 -12.181 6.178 1.00 . A A . 59 ALA CB 1 1 14 3060 1 1 10 GLU H H -1.193 -10.782 4.130 1.00 . A A . 59 ALA H 1 1 14 3061 1 1 10 GLU HA H -0.920 -13.599 4.860 1.00 . A A . 59 ALA HA 1 1 14 3062 1 1 10 GLU HB2 H -1.038 -11.755 6.587 1.00 . A A . 59 ALA HB1 1 1 14 3063 1 1 10 GLU HB3 H -2.681 -11.394 6.093 1.00 . A A . 59 ALA HB2 1 1 14 3064 1 1 10 GLU N N -1.128 -11.738 3.904 1.00 . A A . 59 ALA N 1 1 14 3065 1 1 10 GLU O O -3.248 -14.558 4.385 1.00 . A A . 59 ALA O 1 1 14 3066 1 1 11 ALA C C -4.512 -13.824 1.562 1.00 . A A . 60 ILE C 1 1 14 3067 1 1 11 ALA CA C -4.851 -12.984 2.798 1.00 . A A . 60 ILE CA 1 1 14 3068 1 1 11 ALA CB C -5.628 -11.696 2.409 1.00 . A A . 60 ILE CB 1 1 14 3069 1 1 11 ALA H H -3.236 -11.662 3.341 1.00 . A A . 60 ILE H 1 1 14 3070 1 1 11 ALA HA H -5.415 -13.607 3.480 1.00 . A A . 60 ILE HA 1 1 14 3071 1 1 11 ALA N N -3.585 -12.571 3.461 1.00 . A A . 60 ILE N 1 1 14 3072 1 1 11 ALA O O -4.974 -14.941 1.418 1.00 . A A . 60 ILE O 1 1 14 3073 1 1 12 ILE C C -2.667 -15.316 -0.146 1.00 . A A . 61 ILE C 1 1 14 3074 1 1 12 ILE CA C -3.296 -13.977 -0.538 1.00 . A A . 61 ILE CA 1 1 14 3075 1 1 12 ILE CB C -2.344 -13.005 -1.332 1.00 . A A . 61 ILE CB 1 1 14 3076 1 1 12 ILE CD1 C -0.145 -14.066 -1.298 1.00 . A A . 61 ILE CD1 1 1 14 3077 1 1 12 ILE CG1 C -0.977 -12.913 -0.746 1.00 . A A . 61 ILE CG1 1 1 14 3078 1 1 12 ILE CG2 C -2.978 -11.593 -1.466 1.00 . A A . 61 ILE CG2 1 1 14 3079 1 1 12 ILE H H -3.323 -12.371 0.890 1.00 . A A . 61 ILE H 1 1 14 3080 1 1 12 ILE HA H -4.131 -14.169 -1.170 1.00 . A A . 61 ILE HA 1 1 14 3081 1 1 12 ILE HB H -2.200 -13.363 -2.327 1.00 . A A . 61 ILE HB 1 1 14 3082 1 1 12 ILE HD11 H -0.566 -15.029 -1.068 1.00 . A A . 61 ILE HD11 1 1 14 3083 1 1 12 ILE HD12 H -0.088 -13.967 -2.372 1.00 . A A . 61 ILE HD12 1 1 14 3084 1 1 12 ILE HD13 H 0.839 -14.002 -0.867 1.00 . A A . 61 ILE HD13 1 1 14 3085 1 1 12 ILE HG13 H -0.520 -11.974 -1.016 1.00 . A A . 61 ILE HG12 1 1 14 3086 1 1 12 ILE HG21 H -3.928 -11.681 -1.973 1.00 . A A . 61 ILE HG21 1 1 14 3087 1 1 12 ILE HG22 H -3.143 -11.123 -0.512 1.00 . A A . 61 ILE HG22 1 1 14 3088 1 1 12 ILE HG23 H -2.337 -10.952 -2.055 1.00 . A A . 61 ILE HG23 1 1 14 3089 1 1 12 ILE N N -3.692 -13.263 0.707 1.00 . A A . 61 ILE N 1 1 14 3090 1 1 12 ILE O O -2.907 -16.314 -0.806 1.00 . A A . 61 ILE O 1 1 14 3091 1 1 13 ILE C C -2.264 -17.711 1.503 1.00 . A A . 62 ARG C 1 1 14 3092 1 1 13 ILE CA C -1.239 -16.574 1.372 1.00 . A A . 62 ARG CA 1 1 14 3093 1 1 13 ILE CB C -0.556 -16.349 2.744 1.00 . A A . 62 ARG CB 1 1 14 3094 1 1 13 ILE H H -1.720 -14.462 1.421 1.00 . A A . 62 ARG H 1 1 14 3095 1 1 13 ILE HA H -0.518 -16.871 0.628 1.00 . A A . 62 ARG HA 1 1 14 3096 1 1 13 ILE HD12 H 2.935 -16.174 2.685 1.00 . A A . 62 ARG HD2 1 1 14 3097 1 1 13 ILE HD13 H 1.901 -17.373 3.448 1.00 . A A . 62 ARG HD3 1 1 14 3098 1 1 13 ILE N N -1.889 -15.302 0.918 1.00 . A A . 62 ARG N 1 1 14 3099 1 1 13 ILE O O -1.909 -18.851 1.297 1.00 . A A . 62 ARG O 1 1 14 3100 1 1 14 ARG C C -5.632 -18.379 0.903 1.00 . A A . 63 ILE C 1 1 14 3101 1 1 14 ARG CA C -4.533 -18.464 1.983 1.00 . A A . 63 ILE CA 1 1 14 3102 1 1 14 ARG CB C -5.102 -18.306 3.418 1.00 . A A . 63 ILE CB 1 1 14 3103 1 1 14 ARG H H -3.762 -16.471 2.020 1.00 . A A . 63 ILE H 1 1 14 3104 1 1 14 ARG HA H -4.088 -19.447 1.894 1.00 . A A . 63 ILE HA 1 1 14 3105 1 1 14 ARG N N -3.492 -17.399 1.841 1.00 . A A . 63 ILE N 1 1 14 3106 1 1 14 ARG O O -6.328 -19.342 0.663 1.00 . A A . 63 ILE O 1 1 14 3107 1 1 15 ILE C C -6.626 -18.008 -1.922 1.00 . A A . 64 LEU C 1 1 14 3108 1 1 15 ILE CA C -6.761 -16.989 -0.789 1.00 . A A . 64 LEU CA 1 1 14 3109 1 1 15 ILE CB C -6.546 -15.512 -1.262 1.00 . A A . 64 LEU CB 1 1 14 3110 1 1 15 ILE CD1 C -9.008 -14.992 -1.687 1.00 . A A . 64 LEU CD1 1 1 14 3111 1 1 15 ILE H H -5.109 -16.539 0.508 1.00 . A A . 64 LEU H 1 1 14 3112 1 1 15 ILE HA H -7.744 -17.105 -0.353 1.00 . A A . 64 LEU HA 1 1 14 3113 1 1 15 ILE HD11 H -9.036 -14.304 -0.853 1.00 . A A . 64 LEU HD11 1 1 14 3114 1 1 15 ILE HD12 H -9.720 -14.656 -2.426 1.00 . A A . 64 LEU HD12 1 1 14 3115 1 1 15 ILE HD13 H -9.317 -15.968 -1.340 1.00 . A A . 64 LEU HD13 1 1 14 3116 1 1 15 ILE N N -5.740 -17.243 0.274 1.00 . A A . 64 LEU N 1 1 14 3117 1 1 15 ILE O O -7.169 -19.098 -1.855 1.00 . A A . 64 LEU O 1 1 14 3118 1 1 16 LEU C C -4.942 -19.867 -3.603 1.00 . A A . 65 GLN C 1 1 14 3119 1 1 16 LEU CA C -5.792 -18.678 -4.033 1.00 . A A . 65 GLN CA 1 1 14 3120 1 1 16 LEU CB C -5.186 -18.027 -5.319 1.00 . A A . 65 GLN CB 1 1 14 3121 1 1 16 LEU CG C -3.808 -17.327 -5.103 1.00 . A A . 65 GLN CG 1 1 14 3122 1 1 16 LEU H H -5.462 -16.804 -3.037 1.00 . A A . 65 GLN H 1 1 14 3123 1 1 16 LEU HA H -6.780 -19.054 -4.211 1.00 . A A . 65 GLN HA 1 1 14 3124 1 1 16 LEU HB3 H -5.068 -18.802 -6.057 1.00 . A A . 65 GLN HB2 1 1 14 3125 1 1 16 LEU N N -5.904 -17.673 -2.955 1.00 . A A . 65 GLN N 1 1 14 3126 1 1 16 LEU O O -4.699 -20.752 -4.399 1.00 . A A . 65 GLN O 1 1 14 3127 1 1 17 GLN C C -4.606 -22.281 -1.969 1.00 . A A . 66 GLN C 1 1 14 3128 1 1 17 GLN CA C -3.680 -21.073 -1.967 1.00 . A A . 66 GLN CA 1 1 14 3129 1 1 17 GLN CB C -3.093 -20.871 -0.550 1.00 . A A . 66 GLN CB 1 1 14 3130 1 1 17 GLN CD C -0.903 -19.775 -1.319 1.00 . A A . 66 GLN CD 1 1 14 3131 1 1 17 GLN CG C -1.536 -20.967 -0.585 1.00 . A A . 66 GLN CG 1 1 14 3132 1 1 17 GLN H H -4.748 -19.193 -1.715 1.00 . A A . 66 GLN H 1 1 14 3133 1 1 17 GLN HA H -2.908 -21.229 -2.711 1.00 . A A . 66 GLN HA 1 1 14 3134 1 1 17 GLN HB3 H -3.384 -19.911 -0.156 1.00 . A A . 66 GLN HB2 1 1 14 3135 1 1 17 GLN HE21 H -2.613 -18.857 -1.686 1.00 . A A . 66 GLN HE21 1 1 14 3136 1 1 17 GLN HE22 H -1.223 -18.077 -2.264 1.00 . A A . 66 GLN HE22 1 1 14 3137 1 1 17 GLN HG3 H -1.149 -20.974 0.425 1.00 . A A . 66 GLN HG2 1 1 14 3138 1 1 17 GLN N N -4.514 -19.901 -2.364 1.00 . A A . 66 GLN N 1 1 14 3139 1 1 17 GLN NE2 N -1.645 -18.824 -1.796 1.00 . A A . 66 GLN NE2 1 1 14 3140 1 1 17 GLN O O -4.229 -23.353 -2.387 1.00 . A A . 66 GLN O 1 1 14 3141 1 1 17 GLN OE1 O 0.298 -19.690 -1.469 1.00 . A A . 66 GLN OE1 1 1 14 3142 1 1 18 GLN C C -7.394 -23.406 -2.832 1.00 . A A . 67 LEU C 1 1 14 3143 1 1 18 GLN CA C -6.813 -23.161 -1.455 1.00 . A A . 67 LEU CA 1 1 14 3144 1 1 18 GLN CB C -7.906 -22.751 -0.469 1.00 . A A . 67 LEU CB 1 1 14 3145 1 1 18 GLN CG C -7.281 -22.355 0.890 1.00 . A A . 67 LEU CG 1 1 14 3146 1 1 18 GLN H H -6.051 -21.145 -1.220 1.00 . A A . 67 LEU H 1 1 14 3147 1 1 18 GLN HA H -6.330 -24.073 -1.150 1.00 . A A . 67 LEU HA 1 1 14 3148 1 1 18 GLN HB3 H -8.466 -21.916 -0.870 1.00 . A A . 67 LEU HB2 1 1 14 3149 1 1 18 GLN N N -5.807 -22.056 -1.515 1.00 . A A . 67 LEU N 1 1 14 3150 1 1 18 GLN O O -7.863 -24.474 -3.176 1.00 . A A . 67 LEU O 1 1 14 3151 1 1 19 LEU C C -6.832 -23.127 -5.785 1.00 . A A . 68 LEU C 1 1 14 3152 1 1 19 LEU CA C -7.838 -22.417 -4.977 1.00 . A A . 68 LEU CA 1 1 14 3153 1 1 19 LEU CB C -8.031 -21.020 -5.541 1.00 . A A . 68 LEU CB 1 1 14 3154 1 1 19 LEU CD1 C -9.327 -18.831 -5.336 1.00 . A A . 68 LEU CD1 1 1 14 3155 1 1 19 LEU CD2 C -10.566 -21.020 -5.351 1.00 . A A . 68 LEU CD2 1 1 14 3156 1 1 19 LEU CG C -9.256 -20.318 -4.885 1.00 . A A . 68 LEU CG 1 1 14 3157 1 1 19 LEU H H -6.899 -21.576 -3.255 1.00 . A A . 68 LEU H 1 1 14 3158 1 1 19 LEU HA H -8.718 -23.017 -5.011 1.00 . A A . 68 LEU HA 1 1 14 3159 1 1 19 LEU HB3 H -7.114 -20.483 -5.383 1.00 . A A . 68 LEU HB2 1 1 14 3160 1 1 19 LEU HD11 H -9.420 -18.771 -6.412 1.00 . A A . 68 LEU HD11 1 1 14 3161 1 1 19 LEU HD12 H -10.191 -18.353 -4.892 1.00 . A A . 68 LEU HD12 1 1 14 3162 1 1 19 LEU HD13 H -8.452 -18.275 -5.036 1.00 . A A . 68 LEU HD13 1 1 14 3163 1 1 19 LEU HD21 H -10.665 -20.971 -6.426 1.00 . A A . 68 LEU HD21 1 1 14 3164 1 1 19 LEU HD22 H -10.589 -22.057 -5.054 1.00 . A A . 68 LEU HD22 1 1 14 3165 1 1 19 LEU HD23 H -11.425 -20.533 -4.912 1.00 . A A . 68 LEU HD23 1 1 14 3166 1 1 19 LEU HG H -9.179 -20.369 -3.808 1.00 . A A . 68 LEU HG 1 1 14 3167 1 1 19 LEU N N -7.320 -22.370 -3.602 1.00 . A A . 68 LEU N 1 1 14 3168 1 1 19 LEU O O -7.182 -23.766 -6.737 1.00 . A A . 68 LEU O 1 1 14 3169 1 1 20 LEU C C -4.954 -25.174 -6.262 1.00 . A A . 69 PHE C 1 1 14 3170 1 1 20 LEU CA C -4.581 -23.741 -6.203 1.00 . A A . 69 PHE CA 1 1 14 3171 1 1 20 LEU CB C -3.243 -23.552 -5.518 1.00 . A A . 69 PHE CB 1 1 14 3172 1 1 20 LEU CD1 C -1.662 -24.212 -7.338 1.00 . A A . 69 PHE CD1 1 1 14 3173 1 1 20 LEU CD2 C -1.760 -25.608 -5.409 1.00 . A A . 69 PHE CD2 1 1 14 3174 1 1 20 LEU CG C -2.190 -24.489 -6.103 1.00 . A A . 69 PHE CG 1 1 14 3175 1 1 20 LEU H H -5.339 -22.557 -4.624 1.00 . A A . 69 PHE H 1 1 14 3176 1 1 20 LEU HA H -4.666 -23.372 -7.214 1.00 . A A . 69 PHE HA 1 1 14 3177 1 1 20 LEU HB3 H -2.920 -22.533 -5.648 1.00 . A A . 69 PHE HB2 1 1 14 3178 1 1 20 LEU N N -5.600 -23.050 -5.414 1.00 . A A . 69 PHE N 1 1 14 3179 1 1 20 LEU O O -4.866 -25.767 -7.318 1.00 . A A . 69 PHE O 1 1 14 3180 1 1 21 PHE C C -7.169 -27.313 -5.692 1.00 . A A . 70 ILE C 1 1 14 3181 1 1 21 PHE CA C -5.737 -27.127 -5.264 1.00 . A A . 70 ILE CA 1 1 14 3182 1 1 21 PHE CB C -5.494 -27.856 -3.931 1.00 . A A . 70 ILE CB 1 1 14 3183 1 1 21 PHE CD1 C -4.718 -26.101 -2.261 1.00 . A A . 70 ILE CD1 1 1 14 3184 1 1 21 PHE H H -5.503 -25.175 -4.309 1.00 . A A . 70 ILE H 1 1 14 3185 1 1 21 PHE HA H -5.113 -27.519 -6.025 1.00 . A A . 70 ILE HA 1 1 14 3186 1 1 21 PHE N N -5.391 -25.695 -5.148 1.00 . A A . 70 ILE N 1 1 14 3187 1 1 21 PHE O O -7.534 -28.337 -6.233 1.00 . A A . 70 ILE O 1 1 14 3188 1 1 22 ILE C C -9.487 -26.133 -7.359 1.00 . A A . 71 HIS C 1 1 14 3189 1 1 22 ILE CA C -9.384 -26.419 -5.845 1.00 . A A . 71 HIS CA 1 1 14 3190 1 1 22 ILE CB C -10.105 -25.419 -4.953 1.00 . A A . 71 HIS CB 1 1 14 3191 1 1 22 ILE H H -7.615 -25.485 -5.025 1.00 . A A . 71 HIS H 1 1 14 3192 1 1 22 ILE HA H -9.713 -27.429 -5.667 1.00 . A A . 71 HIS HA 1 1 14 3193 1 1 22 ILE HD11 H -11.890 -26.038 -2.929 1.00 . A A . 71 HIS HD1 1 1 14 3194 1 1 22 ILE HD12 H -12.229 -25.306 -6.997 1.00 . A A . 71 HIS HD2 1 1 14 3195 1 1 22 ILE N N -7.956 -26.306 -5.453 1.00 . A A . 71 HIS N 1 1 14 3196 1 1 22 ILE O O -10.476 -26.426 -7.999 1.00 . A A . 71 HIS O 1 1 14 3197 1 1 23 HIS C C -7.495 -26.223 -10.080 1.00 . A A . 72 PHE C 1 1 14 3198 1 1 23 HIS CA C -8.398 -25.234 -9.355 1.00 . A A . 72 PHE CA 1 1 14 3199 1 1 23 HIS CB C -7.871 -23.777 -9.584 1.00 . A A . 72 PHE CB 1 1 14 3200 1 1 23 HIS CD2 C -9.870 -22.235 -9.519 1.00 . A A . 72 PHE CD2 1 1 14 3201 1 1 23 HIS CE1 C -10.159 -22.294 -12.257 1.00 . A A . 72 PHE CE1 1 1 14 3202 1 1 23 HIS CG C -8.991 -22.986 -10.281 1.00 . A A . 72 PHE CG 1 1 14 3203 1 1 23 HIS H H -7.691 -25.359 -7.304 1.00 . A A . 72 PHE H 1 1 14 3204 1 1 23 HIS HA H -9.383 -25.346 -9.758 1.00 . A A . 72 PHE HA 1 1 14 3205 1 1 23 HIS HB3 H -7.675 -23.257 -8.672 1.00 . A A . 72 PHE HB2 1 1 14 3206 1 1 23 HIS HD1 H -8.469 -23.596 -12.263 1.00 . A A . 72 PHE HD1 1 1 14 3207 1 1 23 HIS HD2 H -9.760 -22.214 -8.445 1.00 . A A . 72 PHE HD2 1 1 14 3208 1 1 23 HIS HE1 H -10.271 -22.317 -13.332 1.00 . A A . 72 PHE HE1 1 1 14 3209 1 1 23 HIS N N -8.442 -25.565 -7.895 1.00 . A A . 72 PHE N 1 1 14 3210 1 1 23 HIS O O -7.836 -26.655 -11.160 1.00 . A A . 72 PHE O 1 1 14 3211 1 1 24 PHE C C -6.232 -28.832 -10.603 1.00 . A A . 73 ARG C 1 1 14 3212 1 1 24 PHE CA C -5.471 -27.555 -10.197 1.00 . A A . 73 ARG CA 1 1 14 3213 1 1 24 PHE CB C -4.299 -27.944 -9.262 1.00 . A A . 73 ARG CB 1 1 14 3214 1 1 24 PHE CG C -3.100 -26.969 -9.405 1.00 . A A . 73 ARG CG 1 1 14 3215 1 1 24 PHE CZ C -0.910 -25.399 -11.673 1.00 . A A . 73 ARG CZ 1 1 14 3216 1 1 24 PHE H H -6.124 -26.183 -8.629 1.00 . A A . 73 ARG H 1 1 14 3217 1 1 24 PHE HA H -5.106 -27.094 -11.102 1.00 . A A . 73 ARG HA 1 1 14 3218 1 1 24 PHE HB3 H -4.644 -27.942 -8.240 1.00 . A A . 73 ARG HB2 1 1 14 3219 1 1 24 PHE HD2 H -2.172 -28.188 -10.952 1.00 . A A . 73 ARG HD2 1 1 14 3220 1 1 24 PHE N N -6.374 -26.570 -9.501 1.00 . A A . 73 ARG N 1 1 14 3221 1 1 24 PHE O O -5.930 -29.446 -11.606 1.00 . A A . 73 ARG O 1 1 14 3222 1 1 25 ARG C C -9.042 -30.175 -11.225 1.00 . A A . 74 ILE C 1 1 14 3223 1 1 25 ARG CA C -8.018 -30.424 -10.094 1.00 . A A . 74 ILE CA 1 1 14 3224 1 1 25 ARG CB C -8.702 -30.816 -8.750 1.00 . A A . 74 ILE CB 1 1 14 3225 1 1 25 ARG H H -7.392 -28.664 -9.004 1.00 . A A . 74 ILE H 1 1 14 3226 1 1 25 ARG HA H -7.354 -31.211 -10.420 1.00 . A A . 74 ILE HA 1 1 14 3227 1 1 25 ARG N N -7.201 -29.197 -9.806 1.00 . A A . 74 ILE N 1 1 14 3228 1 1 25 ARG O O -9.633 -31.089 -11.770 1.00 . A A . 74 ILE O 1 1 14 3229 1 1 26 ILE C C -10.422 -26.997 -12.543 1.00 . A A . 75 GLY C 1 1 14 3230 1 1 26 ILE CA C -10.165 -28.503 -12.611 1.00 . A A . 75 GLY CA 1 1 14 3231 1 1 26 ILE H H -8.680 -28.259 -11.054 1.00 . A A . 75 GLY H 1 1 14 3232 1 1 26 ILE N N -9.210 -28.924 -11.540 1.00 . A A . 75 GLY N 1 1 14 3233 1 1 26 ILE O O -10.433 -26.300 -13.536 1.00 . A A . 75 GLY O 1 1 14 3234 1 1 27 GLY N N -10.644 -26.434 -11.395 1.00 . A A . 76 NH2 N 1 1 15 3235 1 1 1 ACE C C 2.828 4.294 2.911 1.00 . A A . 50 ACE C 1 1 15 3236 1 1 1 ACE CH3 C 2.361 5.735 3.079 1.00 . A A . 50 ACE CH3 1 1 15 3237 1 1 1 ACE O O 4.016 4.036 2.900 1.00 . A A . 50 ACE O 1 1 15 3238 1 1 2 TYR C C 4.802 -0.201 5.338 1.00 . A A . 51 GLY C 1 1 15 3239 1 1 2 TYR CA C 4.548 1.298 5.403 1.00 . A A . 51 GLY CA 1 1 15 3240 1 1 2 TYR H H 4.067 2.405 3.585 1.00 . A A . 51 GLY H 1 1 15 3241 1 1 2 TYR N N 3.760 1.726 4.211 1.00 . A A . 51 GLY N 1 1 15 3242 1 1 2 TYR O O 5.872 -0.645 4.978 1.00 . A A . 51 GLY O 1 1 15 3243 1 1 3 GLY C C 2.460 -3.047 5.952 1.00 . A A . 52 ASP C 1 1 15 3244 1 1 3 GLY CA C 3.851 -2.431 5.686 1.00 . A A . 52 ASP CA 1 1 15 3245 1 1 3 GLY H H 2.961 -0.473 5.950 1.00 . A A . 52 ASP H 1 1 15 3246 1 1 3 GLY N N 3.784 -0.935 5.688 1.00 . A A . 52 ASP N 1 1 15 3247 1 1 3 GLY O O 2.361 -4.222 6.247 1.00 . A A . 52 ASP O 1 1 15 3248 1 1 4 ASP C C -0.296 -3.916 5.071 1.00 . A A . 53 THR C 1 1 15 3249 1 1 4 ASP CA C 0.050 -2.895 6.098 1.00 . A A . 53 THR CA 1 1 15 3250 1 1 4 ASP CB C -1.026 -1.755 6.146 1.00 . A A . 53 THR CB 1 1 15 3251 1 1 4 ASP H H 1.439 -1.359 5.521 1.00 . A A . 53 THR H 1 1 15 3252 1 1 4 ASP HA H 0.124 -3.436 7.004 1.00 . A A . 53 THR HA 1 1 15 3253 1 1 4 ASP N N 1.392 -2.289 5.819 1.00 . A A . 53 THR N 1 1 15 3254 1 1 4 ASP O O -1.116 -4.797 5.268 1.00 . A A . 53 THR O 1 1 15 3255 1 1 5 THR C C 0.547 -6.106 3.241 1.00 . A A . 54 TRP C 1 1 15 3256 1 1 5 THR CA C 0.159 -4.673 2.873 1.00 . A A . 54 TRP CA 1 1 15 3257 1 1 5 THR CB C 0.953 -4.143 1.675 1.00 . A A . 54 TRP CB 1 1 15 3258 1 1 5 THR H H 1.019 -3.009 3.972 1.00 . A A . 54 TRP H 1 1 15 3259 1 1 5 THR HA H -0.899 -4.623 2.721 1.00 . A A . 54 TRP HA 1 1 15 3260 1 1 5 THR N N 0.384 -3.747 3.990 1.00 . A A . 54 TRP N 1 1 15 3261 1 1 5 THR O O 0.113 -7.055 2.614 1.00 . A A . 54 TRP O 1 1 15 3262 1 1 6 TRP C C 0.504 -8.357 5.164 1.00 . A A . 55 ALA C 1 1 15 3263 1 1 6 TRP CA C 1.763 -7.615 4.676 1.00 . A A . 55 ALA CA 1 1 15 3264 1 1 6 TRP CB C 2.796 -7.505 5.809 1.00 . A A . 55 ALA CB 1 1 15 3265 1 1 6 TRP H H 1.681 -5.446 4.743 1.00 . A A . 55 ALA H 1 1 15 3266 1 1 6 TRP HA H 2.165 -8.141 3.821 1.00 . A A . 55 ALA HA 1 1 15 3267 1 1 6 TRP HB2 H 2.385 -6.977 6.657 1.00 . A A . 55 ALA HB1 1 1 15 3268 1 1 6 TRP HB3 H 3.092 -8.493 6.133 1.00 . A A . 55 ALA HB2 1 1 15 3269 1 1 6 TRP N N 1.353 -6.240 4.261 1.00 . A A . 55 ALA N 1 1 15 3270 1 1 6 TRP O O 0.390 -9.563 5.054 1.00 . A A . 55 ALA O 1 1 15 3271 1 1 7 ALA C C -2.569 -8.558 5.007 1.00 . A A . 56 GLY C 1 1 15 3272 1 1 7 ALA CA C -1.693 -8.192 6.195 1.00 . A A . 56 GLY CA 1 1 15 3273 1 1 7 ALA H H -0.286 -6.615 5.709 1.00 . A A . 56 GLY H 1 1 15 3274 1 1 7 ALA N N -0.423 -7.589 5.678 1.00 . A A . 56 GLY N 1 1 15 3275 1 1 7 ALA O O -3.377 -9.462 5.054 1.00 . A A . 56 GLY O 1 1 15 3276 1 1 8 GLY C C -2.579 -9.289 2.016 1.00 . A A . 57 VAL C 1 1 15 3277 1 1 8 GLY CA C -3.118 -8.025 2.701 1.00 . A A . 57 VAL CA 1 1 15 3278 1 1 8 GLY H H -1.693 -7.114 3.984 1.00 . A A . 57 VAL H 1 1 15 3279 1 1 8 GLY N N -2.364 -7.821 3.954 1.00 . A A . 57 VAL N 1 1 15 3280 1 1 8 GLY O O -3.327 -10.201 1.716 1.00 . A A . 57 VAL O 1 1 15 3281 1 1 9 VAL C C -1.084 -11.823 1.880 1.00 . A A . 58 GLU C 1 1 15 3282 1 1 9 VAL CA C -0.737 -10.561 1.113 1.00 . A A . 58 GLU CA 1 1 15 3283 1 1 9 VAL CB C 0.797 -10.491 1.009 1.00 . A A . 58 GLU CB 1 1 15 3284 1 1 9 VAL H H -0.714 -8.579 2.041 1.00 . A A . 58 GLU H 1 1 15 3285 1 1 9 VAL HA H -1.204 -10.684 0.138 1.00 . A A . 58 GLU HA 1 1 15 3286 1 1 9 VAL N N -1.292 -9.336 1.781 1.00 . A A . 58 GLU N 1 1 15 3287 1 1 9 VAL O O -1.091 -12.877 1.288 1.00 . A A . 58 GLU O 1 1 15 3288 1 1 10 GLU C C -2.989 -13.554 3.349 1.00 . A A . 59 ALA C 1 1 15 3289 1 1 10 GLU CA C -1.719 -12.931 3.941 1.00 . A A . 59 ALA CA 1 1 15 3290 1 1 10 GLU CB C -1.958 -12.524 5.400 1.00 . A A . 59 ALA CB 1 1 15 3291 1 1 10 GLU H H -1.361 -10.815 3.557 1.00 . A A . 59 ALA H 1 1 15 3292 1 1 10 GLU HA H -0.914 -13.649 3.858 1.00 . A A . 59 ALA HA 1 1 15 3293 1 1 10 GLU HB2 H -2.768 -11.812 5.473 1.00 . A A . 59 ALA HB1 1 1 15 3294 1 1 10 GLU HB3 H -2.212 -13.400 5.981 1.00 . A A . 59 ALA HB2 1 1 15 3295 1 1 10 GLU N N -1.371 -11.707 3.146 1.00 . A A . 59 ALA N 1 1 15 3296 1 1 10 GLU O O -3.232 -14.743 3.403 1.00 . A A . 59 ALA O 1 1 15 3297 1 1 11 ALA C C -4.668 -13.839 0.862 1.00 . A A . 60 ILE C 1 1 15 3298 1 1 11 ALA CA C -5.053 -13.106 2.152 1.00 . A A . 60 ILE CA 1 1 15 3299 1 1 11 ALA CB C -5.880 -11.830 1.868 1.00 . A A . 60 ILE CB 1 1 15 3300 1 1 11 ALA H H -3.506 -11.742 2.759 1.00 . A A . 60 ILE H 1 1 15 3301 1 1 11 ALA HA H -5.564 -13.797 2.809 1.00 . A A . 60 ILE HA 1 1 15 3302 1 1 11 ALA N N -3.772 -12.686 2.780 1.00 . A A . 60 ILE N 1 1 15 3303 1 1 11 ALA O O -5.032 -14.976 0.649 1.00 . A A . 60 ILE O 1 1 15 3304 1 1 12 ILE C C -2.805 -15.060 -1.030 1.00 . A A . 61 ILE C 1 1 15 3305 1 1 12 ILE CA C -3.439 -13.678 -1.261 1.00 . A A . 61 ILE CA 1 1 15 3306 1 1 12 ILE CB C -2.426 -12.616 -1.781 1.00 . A A . 61 ILE CB 1 1 15 3307 1 1 12 ILE CD1 C -3.884 -10.554 -1.330 1.00 . A A . 61 ILE CD1 1 1 15 3308 1 1 12 ILE CG1 C -3.081 -11.336 -2.363 1.00 . A A . 61 ILE CG1 1 1 15 3309 1 1 12 ILE CG2 C -1.485 -13.180 -2.802 1.00 . A A . 61 ILE CG2 1 1 15 3310 1 1 12 ILE H H -3.628 -12.244 0.270 1.00 . A A . 61 ILE H 1 1 15 3311 1 1 12 ILE HA H -4.298 -13.793 -1.911 1.00 . A A . 61 ILE HA 1 1 15 3312 1 1 12 ILE HB H -1.801 -12.327 -0.951 1.00 . A A . 61 ILE HB 1 1 15 3313 1 1 12 ILE HD11 H -3.243 -10.263 -0.516 1.00 . A A . 61 ILE HD11 1 1 15 3314 1 1 12 ILE HD12 H -4.284 -9.661 -1.785 1.00 . A A . 61 ILE HD12 1 1 15 3315 1 1 12 ILE HD13 H -4.708 -11.135 -0.951 1.00 . A A . 61 ILE HD13 1 1 15 3316 1 1 12 ILE HG13 H -2.321 -10.687 -2.775 1.00 . A A . 61 ILE HG12 1 1 15 3317 1 1 12 ILE HG21 H -2.047 -13.543 -3.647 1.00 . A A . 61 ILE HG21 1 1 15 3318 1 1 12 ILE HG22 H -0.808 -12.399 -3.114 1.00 . A A . 61 ILE HG22 1 1 15 3319 1 1 12 ILE HG23 H -0.912 -13.982 -2.363 1.00 . A A . 61 ILE HG23 1 1 15 3320 1 1 12 ILE N N -3.918 -13.151 0.042 1.00 . A A . 61 ILE N 1 1 15 3321 1 1 12 ILE O O -3.067 -16.042 -1.706 1.00 . A A . 61 ILE O 1 1 15 3322 1 1 13 ILE C C -2.066 -17.399 0.690 1.00 . A A . 62 ARG C 1 1 15 3323 1 1 13 ILE CA C -1.195 -16.170 0.467 1.00 . A A . 62 ARG CA 1 1 15 3324 1 1 13 ILE CB C -0.510 -15.741 1.751 1.00 . A A . 62 ARG CB 1 1 15 3325 1 1 13 ILE H H -1.887 -14.145 0.426 1.00 . A A . 62 ARG H 1 1 15 3326 1 1 13 ILE HA H -0.412 -16.403 -0.235 1.00 . A A . 62 ARG HA 1 1 15 3327 1 1 13 ILE HD12 H 1.806 -15.155 2.825 1.00 . A A . 62 ARG HD2 1 1 15 3328 1 1 13 ILE HD13 H 0.784 -15.886 4.070 1.00 . A A . 62 ARG HD3 1 1 15 3329 1 1 13 ILE N N -1.981 -15.011 -0.024 1.00 . A A . 62 ARG N 1 1 15 3330 1 1 13 ILE O O -1.557 -18.499 0.636 1.00 . A A . 62 ARG O 1 1 15 3331 1 1 14 ARG C C -5.252 -18.456 -0.018 1.00 . A A . 63 ILE C 1 1 15 3332 1 1 14 ARG CA C -4.253 -18.365 1.168 1.00 . A A . 63 ILE CA 1 1 15 3333 1 1 14 ARG CB C -4.963 -18.135 2.538 1.00 . A A . 63 ILE CB 1 1 15 3334 1 1 14 ARG H H -3.685 -16.293 1.002 1.00 . A A . 63 ILE H 1 1 15 3335 1 1 14 ARG HA H -3.696 -19.279 1.276 1.00 . A A . 63 ILE HA 1 1 15 3336 1 1 14 ARG N N -3.332 -17.207 0.946 1.00 . A A . 63 ILE N 1 1 15 3337 1 1 14 ARG O O -5.705 -19.510 -0.412 1.00 . A A . 63 ILE O 1 1 15 3338 1 1 15 ILE C C -6.178 -17.992 -2.826 1.00 . A A . 64 LEU C 1 1 15 3339 1 1 15 ILE CA C -6.452 -17.056 -1.693 1.00 . A A . 64 LEU CA 1 1 15 3340 1 1 15 ILE CB C -6.245 -15.571 -2.078 1.00 . A A . 64 LEU CB 1 1 15 3341 1 1 15 ILE CD1 C -6.939 -13.496 -3.285 1.00 . A A . 64 LEU CD1 1 1 15 3342 1 1 15 ILE H H -5.064 -16.536 -0.182 1.00 . A A . 64 LEU H 1 1 15 3343 1 1 15 ILE HA H -7.454 -17.242 -1.351 1.00 . A A . 64 LEU HA 1 1 15 3344 1 1 15 ILE HD11 H -7.411 -13.121 -2.388 1.00 . A A . 64 LEU HD11 1 1 15 3345 1 1 15 ILE HD12 H -5.919 -13.142 -3.306 1.00 . A A . 64 LEU HD12 1 1 15 3346 1 1 15 ILE HD13 H -7.459 -13.081 -4.135 1.00 . A A . 64 LEU HD13 1 1 15 3347 1 1 15 ILE N N -5.524 -17.304 -0.553 1.00 . A A . 64 LEU N 1 1 15 3348 1 1 15 ILE O O -6.967 -18.843 -3.184 1.00 . A A . 64 LEU O 1 1 15 3349 1 1 16 LEU C C -4.101 -19.969 -3.986 1.00 . A A . 65 GLN C 1 1 15 3350 1 1 16 LEU CA C -4.665 -18.679 -4.502 1.00 . A A . 65 GLN CA 1 1 15 3351 1 1 16 LEU CB C -3.665 -17.934 -5.376 1.00 . A A . 65 GLN CB 1 1 15 3352 1 1 16 LEU CG C -2.498 -17.397 -4.518 1.00 . A A . 65 GLN CG 1 1 15 3353 1 1 16 LEU H H -4.405 -17.116 -3.048 1.00 . A A . 65 GLN H 1 1 15 3354 1 1 16 LEU HA H -5.568 -18.943 -5.021 1.00 . A A . 65 GLN HA 1 1 15 3355 1 1 16 LEU HB3 H -3.312 -18.597 -6.149 1.00 . A A . 65 GLN HB2 1 1 15 3356 1 1 16 LEU N N -5.022 -17.809 -3.376 1.00 . A A . 65 GLN N 1 1 15 3357 1 1 16 LEU O O -3.858 -20.870 -4.760 1.00 . A A . 65 GLN O 1 1 15 3358 1 1 17 GLN C C -4.512 -22.296 -2.013 1.00 . A A . 66 GLN C 1 1 15 3359 1 1 17 GLN CA C -3.365 -21.317 -2.171 1.00 . A A . 66 GLN CA 1 1 15 3360 1 1 17 GLN CB C -2.664 -21.038 -0.822 1.00 . A A . 66 GLN CB 1 1 15 3361 1 1 17 GLN CD C -0.823 -19.739 -2.028 1.00 . A A . 66 GLN CD 1 1 15 3362 1 1 17 GLN CG C -1.131 -20.873 -1.040 1.00 . A A . 66 GLN CG 1 1 15 3363 1 1 17 GLN H H -4.168 -19.280 -2.115 1.00 . A A . 66 GLN H 1 1 15 3364 1 1 17 GLN HA H -2.669 -21.726 -2.891 1.00 . A A . 66 GLN HA 1 1 15 3365 1 1 17 GLN HB3 H -3.043 -20.124 -0.404 1.00 . A A . 66 GLN HB2 1 1 15 3366 1 1 17 GLN HE21 H -0.124 -18.508 -0.660 1.00 . A A . 66 GLN HE21 1 1 15 3367 1 1 17 GLN HE22 H -0.108 -17.912 -2.260 1.00 . A A . 66 GLN HE22 1 1 15 3368 1 1 17 GLN HG3 H -0.653 -20.653 -0.097 1.00 . A A . 66 GLN HG2 1 1 15 3369 1 1 17 GLN N N -3.924 -20.043 -2.699 1.00 . A A . 66 GLN N 1 1 15 3370 1 1 17 GLN NE2 N -0.306 -18.623 -1.617 1.00 . A A . 66 GLN NE2 1 1 15 3371 1 1 17 GLN O O -4.313 -23.491 -2.118 1.00 . A A . 66 GLN O 1 1 15 3372 1 1 17 GLN OE1 O -1.051 -19.857 -3.211 1.00 . A A . 66 GLN OE1 1 1 15 3373 1 1 18 GLN C C -7.452 -22.875 -2.992 1.00 . A A . 67 LEU C 1 1 15 3374 1 1 18 GLN CA C -6.858 -22.685 -1.616 1.00 . A A . 67 LEU CA 1 1 15 3375 1 1 18 GLN CB C -7.840 -22.020 -0.602 1.00 . A A . 67 LEU CB 1 1 15 3376 1 1 18 GLN CG C -8.543 -20.738 -1.130 1.00 . A A . 67 LEU CG 1 1 15 3377 1 1 18 GLN H H -5.810 -20.807 -1.725 1.00 . A A . 67 LEU H 1 1 15 3378 1 1 18 GLN HA H -6.513 -23.649 -1.283 1.00 . A A . 67 LEU HA 1 1 15 3379 1 1 18 GLN HB3 H -8.579 -22.756 -0.351 1.00 . A A . 67 LEU HB2 1 1 15 3380 1 1 18 GLN N N -5.690 -21.782 -1.782 1.00 . A A . 67 LEU N 1 1 15 3381 1 1 18 GLN O O -7.965 -23.920 -3.335 1.00 . A A . 67 LEU O 1 1 15 3382 1 1 19 LEU C C -7.001 -22.756 -5.982 1.00 . A A . 68 LEU C 1 1 15 3383 1 1 19 LEU CA C -7.911 -21.937 -5.137 1.00 . A A . 68 LEU CA 1 1 15 3384 1 1 19 LEU CB C -8.060 -20.545 -5.769 1.00 . A A . 68 LEU CB 1 1 15 3385 1 1 19 LEU CD1 C -9.247 -18.361 -5.754 1.00 . A A . 68 LEU CD1 1 1 15 3386 1 1 19 LEU CD2 C -10.591 -20.473 -5.588 1.00 . A A . 68 LEU CD2 1 1 15 3387 1 1 19 LEU CG C -9.256 -19.783 -5.172 1.00 . A A . 68 LEU CG 1 1 15 3388 1 1 19 LEU H H -6.942 -21.024 -3.455 1.00 . A A . 68 LEU H 1 1 15 3389 1 1 19 LEU HA H -8.817 -22.509 -5.086 1.00 . A A . 68 LEU HA 1 1 15 3390 1 1 19 LEU HB3 H -7.162 -19.980 -5.590 1.00 . A A . 68 LEU HB2 1 1 15 3391 1 1 19 LEU HD11 H -8.326 -17.861 -5.494 1.00 . A A . 68 LEU HD11 1 1 15 3392 1 1 19 LEU HD12 H -9.337 -18.381 -6.830 1.00 . A A . 68 LEU HD12 1 1 15 3393 1 1 19 LEU HD13 H -10.066 -17.787 -5.348 1.00 . A A . 68 LEU HD13 1 1 15 3394 1 1 19 LEU HD21 H -10.699 -20.485 -6.663 1.00 . A A . 68 LEU HD21 1 1 15 3395 1 1 19 LEU HD22 H -10.637 -21.489 -5.227 1.00 . A A . 68 LEU HD22 1 1 15 3396 1 1 19 LEU HD23 H -11.428 -19.933 -5.169 1.00 . A A . 68 LEU HD23 1 1 15 3397 1 1 19 LEU HG H -9.158 -19.734 -4.098 1.00 . A A . 68 LEU HG 1 1 15 3398 1 1 19 LEU N N -7.363 -21.841 -3.773 1.00 . A A . 68 LEU N 1 1 15 3399 1 1 19 LEU O O -7.493 -23.534 -6.764 1.00 . A A . 68 LEU O 1 1 15 3400 1 1 20 LEU C C -5.141 -24.875 -6.396 1.00 . A A . 69 PHE C 1 1 15 3401 1 1 20 LEU CA C -4.836 -23.449 -6.695 1.00 . A A . 69 PHE CA 1 1 15 3402 1 1 20 LEU CB C -3.341 -23.148 -6.381 1.00 . A A . 69 PHE CB 1 1 15 3403 1 1 20 LEU CD1 C -2.337 -24.803 -8.040 1.00 . A A . 69 PHE CD1 1 1 15 3404 1 1 20 LEU CD2 C -1.709 -24.976 -5.747 1.00 . A A . 69 PHE CD2 1 1 15 3405 1 1 20 LEU CG C -2.436 -24.344 -6.742 1.00 . A A . 69 PHE CG 1 1 15 3406 1 1 20 LEU H H -5.313 -22.034 -5.176 1.00 . A A . 69 PHE H 1 1 15 3407 1 1 20 LEU HA H -5.125 -23.283 -7.727 1.00 . A A . 69 PHE HA 1 1 15 3408 1 1 20 LEU HB3 H -3.007 -22.282 -6.931 1.00 . A A . 69 PHE HB2 1 1 15 3409 1 1 20 LEU N N -5.715 -22.627 -5.835 1.00 . A A . 69 PHE N 1 1 15 3410 1 1 20 LEU O O -5.178 -25.675 -7.305 1.00 . A A . 69 PHE O 1 1 15 3411 1 1 21 PHE C C -7.099 -26.974 -5.136 1.00 . A A . 70 ILE C 1 1 15 3412 1 1 21 PHE CA C -5.663 -26.585 -4.882 1.00 . A A . 70 ILE CA 1 1 15 3413 1 1 21 PHE CB C -5.217 -26.885 -3.437 1.00 . A A . 70 ILE CB 1 1 15 3414 1 1 21 PHE CD1 C -7.267 -26.696 -2.007 1.00 . A A . 70 ILE CD1 1 1 15 3415 1 1 21 PHE H H -5.403 -24.479 -4.439 1.00 . A A . 70 ILE H 1 1 15 3416 1 1 21 PHE HA H -5.045 -27.137 -5.535 1.00 . A A . 70 ILE HA 1 1 15 3417 1 1 21 PHE N N -5.385 -25.162 -5.148 1.00 . A A . 70 ILE N 1 1 15 3418 1 1 21 PHE O O -7.394 -28.123 -5.409 1.00 . A A . 70 ILE O 1 1 15 3419 1 1 22 ILE C C -9.645 -26.377 -6.787 1.00 . A A . 71 HIS C 1 1 15 3420 1 1 22 ILE CA C -9.403 -26.294 -5.287 1.00 . A A . 71 HIS CA 1 1 15 3421 1 1 22 ILE CB C -10.243 -25.171 -4.660 1.00 . A A . 71 HIS CB 1 1 15 3422 1 1 22 ILE H H -7.633 -25.089 -4.841 1.00 . A A . 71 HIS H 1 1 15 3423 1 1 22 ILE HA H -9.617 -27.256 -4.857 1.00 . A A . 71 HIS HA 1 1 15 3424 1 1 22 ILE HD11 H -12.469 -23.562 -4.300 1.00 . A A . 71 HIS HD1 1 1 15 3425 1 1 22 ILE HD12 H -11.940 -27.577 -5.232 1.00 . A A . 71 HIS HD2 1 1 15 3426 1 1 22 ILE N N -7.957 -25.997 -5.052 1.00 . A A . 71 HIS N 1 1 15 3427 1 1 22 ILE O O -10.565 -27.015 -7.254 1.00 . A A . 71 HIS O 1 1 15 3428 1 1 23 HIS C C -8.040 -26.795 -9.602 1.00 . A A . 72 PHE C 1 1 15 3429 1 1 23 HIS CA C -8.887 -25.698 -8.983 1.00 . A A . 72 PHE CA 1 1 15 3430 1 1 23 HIS CB C -8.426 -24.317 -9.543 1.00 . A A . 72 PHE CB 1 1 15 3431 1 1 23 HIS CD2 C -10.278 -22.604 -9.397 1.00 . A A . 72 PHE CD2 1 1 15 3432 1 1 23 HIS CE1 C -11.254 -23.282 -11.880 1.00 . A A . 72 PHE CE1 1 1 15 3433 1 1 23 HIS CG C -9.651 -23.599 -10.126 1.00 . A A . 72 PHE CG 1 1 15 3434 1 1 23 HIS H H -8.075 -25.230 -7.017 1.00 . A A . 72 PHE H 1 1 15 3435 1 1 23 HIS HA H -9.914 -25.876 -9.252 1.00 . A A . 72 PHE HA 1 1 15 3436 1 1 23 HIS HB3 H -8.031 -23.689 -8.773 1.00 . A A . 72 PHE HB2 1 1 15 3437 1 1 23 HIS HD1 H -9.673 -24.710 -11.960 1.00 . A A . 72 PHE HD1 1 1 15 3438 1 1 23 HIS HD2 H -9.900 -22.335 -8.421 1.00 . A A . 72 PHE HD2 1 1 15 3439 1 1 23 HIS HE1 H -11.637 -23.549 -12.855 1.00 . A A . 72 PHE HE1 1 1 15 3440 1 1 23 HIS N N -8.782 -25.713 -7.498 1.00 . A A . 72 PHE N 1 1 15 3441 1 1 23 HIS O O -8.529 -27.581 -10.388 1.00 . A A . 72 PHE O 1 1 15 3442 1 1 24 PHE C C -6.385 -29.305 -9.753 1.00 . A A . 73 ARG C 1 1 15 3443 1 1 24 PHE CA C -5.859 -27.865 -9.776 1.00 . A A . 73 ARG CA 1 1 15 3444 1 1 24 PHE CB C -4.536 -27.784 -8.983 1.00 . A A . 73 ARG CB 1 1 15 3445 1 1 24 PHE CG C -3.491 -28.797 -9.479 1.00 . A A . 73 ARG CG 1 1 15 3446 1 1 24 PHE CZ C -1.027 -29.773 -10.690 1.00 . A A . 73 ARG CZ 1 1 15 3447 1 1 24 PHE H H -6.476 -26.178 -8.557 1.00 . A A . 73 ARG H 1 1 15 3448 1 1 24 PHE HA H -5.669 -27.605 -10.807 1.00 . A A . 73 ARG HA 1 1 15 3449 1 1 24 PHE HB3 H -4.125 -26.792 -9.093 1.00 . A A . 73 ARG HB2 1 1 15 3450 1 1 24 PHE HD2 H -3.902 -28.467 -11.599 1.00 . A A . 73 ARG HD2 1 1 15 3451 1 1 24 PHE N N -6.795 -26.833 -9.222 1.00 . A A . 73 ARG N 1 1 15 3452 1 1 24 PHE O O -6.203 -30.041 -10.702 1.00 . A A . 73 ARG O 1 1 15 3453 1 1 25 ARG C C -8.895 -31.237 -9.319 1.00 . A A . 74 ILE C 1 1 15 3454 1 1 25 ARG CA C -7.560 -31.072 -8.578 1.00 . A A . 74 ILE CA 1 1 15 3455 1 1 25 ARG CB C -7.666 -31.372 -7.053 1.00 . A A . 74 ILE CB 1 1 15 3456 1 1 25 ARG H H -7.146 -29.057 -7.934 1.00 . A A . 74 ILE H 1 1 15 3457 1 1 25 ARG HA H -6.852 -31.749 -9.037 1.00 . A A . 74 ILE HA 1 1 15 3458 1 1 25 ARG N N -7.022 -29.681 -8.680 1.00 . A A . 74 ILE N 1 1 15 3459 1 1 25 ARG O O -9.357 -32.342 -9.542 1.00 . A A . 74 ILE O 1 1 15 3460 1 1 26 ILE C C -11.696 -29.088 -9.820 1.00 . A A . 75 GLY C 1 1 15 3461 1 1 26 ILE CA C -10.783 -30.149 -10.414 1.00 . A A . 75 GLY CA 1 1 15 3462 1 1 26 ILE H H -9.027 -29.283 -9.476 1.00 . A A . 75 GLY H 1 1 15 3463 1 1 26 ILE N N -9.475 -30.130 -9.686 1.00 . A A . 75 GLY N 1 1 15 3464 1 1 26 ILE O O -12.804 -29.348 -9.405 1.00 . A A . 75 GLY O 1 1 15 3465 1 1 27 GLY N N -11.266 -27.870 -9.752 1.00 . A A . 76 NH2 N 1 1 16 3466 1 1 1 ACE C C 6.248 2.942 6.428 1.00 . A A . 50 ACE C 1 1 16 3467 1 1 1 ACE CH3 C 7.657 2.366 6.497 1.00 . A A . 50 ACE CH3 1 1 16 3468 1 1 1 ACE O O 5.317 2.368 6.957 1.00 . A A . 50 ACE O 1 1 16 3469 1 1 2 TYR C C 2.978 0.428 3.834 1.00 . A A . 51 GLY C 1 1 16 3470 1 1 2 TYR CA C 2.761 1.938 3.882 1.00 . A A . 51 GLY CA 1 1 16 3471 1 1 2 TYR H H 4.053 2.272 5.617 1.00 . A A . 51 GLY H 1 1 16 3472 1 1 2 TYR N N 3.636 2.698 4.839 1.00 . A A . 51 GLY N 1 1 16 3473 1 1 2 TYR O O 2.786 -0.188 2.805 1.00 . A A . 51 GLY O 1 1 16 3474 1 1 3 GLY C C 2.238 -2.379 5.119 1.00 . A A . 52 ASP C 1 1 16 3475 1 1 3 GLY CA C 3.581 -1.661 4.918 1.00 . A A . 52 ASP CA 1 1 16 3476 1 1 3 GLY H H 3.477 0.343 5.750 1.00 . A A . 52 ASP H 1 1 16 3477 1 1 3 GLY N N 3.354 -0.173 4.930 1.00 . A A . 52 ASP N 1 1 16 3478 1 1 3 GLY O O 2.158 -3.493 5.599 1.00 . A A . 52 ASP O 1 1 16 3479 1 1 4 ASP C C -0.321 -3.522 4.081 1.00 . A A . 53 THR C 1 1 16 3480 1 1 4 ASP CA C -0.186 -2.238 4.838 1.00 . A A . 53 THR CA 1 1 16 3481 1 1 4 ASP CB C -1.129 -1.134 4.301 1.00 . A A . 53 THR CB 1 1 16 3482 1 1 4 ASP H H 1.263 -0.842 4.290 1.00 . A A . 53 THR H 1 1 16 3483 1 1 4 ASP HA H -0.314 -2.495 5.852 1.00 . A A . 53 THR HA 1 1 16 3484 1 1 4 ASP N N 1.194 -1.716 4.713 1.00 . A A . 53 THR N 1 1 16 3485 1 1 4 ASP O O -1.133 -4.393 4.346 1.00 . A A . 53 THR O 1 1 16 3486 1 1 5 THR C C 0.866 -6.043 3.031 1.00 . A A . 54 TRP C 1 1 16 3487 1 1 5 THR CA C 0.582 -4.753 2.266 1.00 . A A . 54 TRP CA 1 1 16 3488 1 1 5 THR CB C 1.634 -4.533 1.180 1.00 . A A . 54 TRP CB 1 1 16 3489 1 1 5 THR H H 1.155 -2.815 3.037 1.00 . A A . 54 TRP H 1 1 16 3490 1 1 5 THR HA H -0.416 -4.771 1.885 1.00 . A A . 54 TRP HA 1 1 16 3491 1 1 5 THR N N 0.550 -3.575 3.133 1.00 . A A . 54 TRP N 1 1 16 3492 1 1 5 THR O O 0.537 -7.116 2.563 1.00 . A A . 54 TRP O 1 1 16 3493 1 1 6 TRP C C 0.424 -7.839 5.330 1.00 . A A . 55 ALA C 1 1 16 3494 1 1 6 TRP CA C 1.757 -7.162 4.975 1.00 . A A . 55 ALA CA 1 1 16 3495 1 1 6 TRP CB C 2.516 -6.778 6.253 1.00 . A A . 55 ALA CB 1 1 16 3496 1 1 6 TRP H H 1.710 -5.030 4.529 1.00 . A A . 55 ALA H 1 1 16 3497 1 1 6 TRP HA H 2.326 -7.844 4.357 1.00 . A A . 55 ALA HA 1 1 16 3498 1 1 6 TRP HB2 H 1.930 -6.097 6.856 1.00 . A A . 55 ALA HB1 1 1 16 3499 1 1 6 TRP HB3 H 2.721 -7.665 6.838 1.00 . A A . 55 ALA HB2 1 1 16 3500 1 1 6 TRP N N 1.463 -5.921 4.188 1.00 . A A . 55 ALA N 1 1 16 3501 1 1 6 TRP O O 0.331 -9.047 5.464 1.00 . A A . 55 ALA O 1 1 16 3502 1 1 7 ALA C C -2.409 -8.239 4.543 1.00 . A A . 56 GLY C 1 1 16 3503 1 1 7 ALA CA C -1.933 -7.542 5.801 1.00 . A A . 56 GLY CA 1 1 16 3504 1 1 7 ALA H H -0.450 -6.054 5.308 1.00 . A A . 56 GLY H 1 1 16 3505 1 1 7 ALA N N -0.584 -7.014 5.456 1.00 . A A . 56 GLY N 1 1 16 3506 1 1 7 ALA O O -2.810 -9.384 4.563 1.00 . A A . 56 GLY O 1 1 16 3507 1 1 8 GLY C C -2.136 -9.422 1.893 1.00 . A A . 57 VAL C 1 1 16 3508 1 1 8 GLY CA C -2.759 -8.035 2.147 1.00 . A A . 57 VAL CA 1 1 16 3509 1 1 8 GLY H H -1.985 -6.593 3.515 1.00 . A A . 57 VAL H 1 1 16 3510 1 1 8 GLY N N -2.333 -7.507 3.466 1.00 . A A . 57 VAL N 1 1 16 3511 1 1 8 GLY O O -2.825 -10.370 1.539 1.00 . A A . 57 VAL O 1 1 16 3512 1 1 9 VAL C C -0.761 -11.943 2.748 1.00 . A A . 58 GLU C 1 1 16 3513 1 1 9 VAL CA C -0.213 -10.848 1.845 1.00 . A A . 58 GLU CA 1 1 16 3514 1 1 9 VAL CB C 1.317 -10.784 2.065 1.00 . A A . 58 GLU CB 1 1 16 3515 1 1 9 VAL H H -0.311 -8.743 2.379 1.00 . A A . 58 GLU H 1 1 16 3516 1 1 9 VAL HA H -0.463 -11.134 0.833 1.00 . A A . 58 GLU HA 1 1 16 3517 1 1 9 VAL N N -0.846 -9.518 2.085 1.00 . A A . 58 GLU N 1 1 16 3518 1 1 9 VAL O O -0.657 -13.105 2.414 1.00 . A A . 58 GLU O 1 1 16 3519 1 1 10 GLU C C -3.160 -13.196 4.124 1.00 . A A . 59 ALA C 1 1 16 3520 1 1 10 GLU CA C -1.879 -12.655 4.748 1.00 . A A . 59 ALA CA 1 1 16 3521 1 1 10 GLU CB C -2.161 -12.049 6.136 1.00 . A A . 59 ALA CB 1 1 16 3522 1 1 10 GLU H H -1.435 -10.629 4.081 1.00 . A A . 59 ALA H 1 1 16 3523 1 1 10 GLU HA H -1.168 -13.470 4.784 1.00 . A A . 59 ALA HA 1 1 16 3524 1 1 10 GLU HB2 H -1.250 -11.644 6.557 1.00 . A A . 59 ALA HB1 1 1 16 3525 1 1 10 GLU HB3 H -2.886 -11.251 6.059 1.00 . A A . 59 ALA HB2 1 1 16 3526 1 1 10 GLU N N -1.342 -11.582 3.854 1.00 . A A . 59 ALA N 1 1 16 3527 1 1 10 GLU O O -3.579 -14.307 4.375 1.00 . A A . 59 ALA O 1 1 16 3528 1 1 11 ALA C C -4.630 -13.577 1.410 1.00 . A A . 60 ILE C 1 1 16 3529 1 1 11 ALA CA C -4.994 -12.736 2.623 1.00 . A A . 60 ILE CA 1 1 16 3530 1 1 11 ALA CB C -5.738 -11.443 2.186 1.00 . A A . 60 ILE CB 1 1 16 3531 1 1 11 ALA H H -3.323 -11.484 3.145 1.00 . A A . 60 ILE H 1 1 16 3532 1 1 11 ALA HA H -5.585 -13.357 3.285 1.00 . A A . 60 ILE HA 1 1 16 3533 1 1 11 ALA N N -3.733 -12.360 3.309 1.00 . A A . 60 ILE N 1 1 16 3534 1 1 11 ALA O O -5.061 -14.707 1.274 1.00 . A A . 60 ILE O 1 1 16 3535 1 1 12 ILE C C -2.785 -15.087 -0.301 1.00 . A A . 61 ILE C 1 1 16 3536 1 1 12 ILE CA C -3.418 -13.742 -0.663 1.00 . A A . 61 ILE CA 1 1 16 3537 1 1 12 ILE CB C -2.470 -12.804 -1.469 1.00 . A A . 61 ILE CB 1 1 16 3538 1 1 12 ILE CD1 C -0.262 -13.839 -1.415 1.00 . A A . 61 ILE CD1 1 1 16 3539 1 1 12 ILE CG1 C -1.103 -12.704 -0.856 1.00 . A A . 61 ILE CG1 1 1 16 3540 1 1 12 ILE CG2 C -3.109 -11.406 -1.668 1.00 . A A . 61 ILE CG2 1 1 16 3541 1 1 12 ILE H H -3.468 -12.100 0.722 1.00 . A A . 61 ILE H 1 1 16 3542 1 1 12 ILE HA H -4.251 -13.931 -1.301 1.00 . A A . 61 ILE HA 1 1 16 3543 1 1 12 ILE HB H -2.328 -13.201 -2.450 1.00 . A A . 61 ILE HB 1 1 16 3544 1 1 12 ILE HD11 H -0.689 -14.808 -1.223 1.00 . A A . 61 ILE HD11 1 1 16 3545 1 1 12 ILE HD12 H -0.184 -13.711 -2.484 1.00 . A A . 61 ILE HD12 1 1 16 3546 1 1 12 ILE HD13 H 0.707 -13.790 -0.956 1.00 . A A . 61 ILE HD13 1 1 16 3547 1 1 12 ILE HG13 H -0.642 -11.759 -1.104 1.00 . A A . 61 ILE HG12 1 1 16 3548 1 1 12 ILE HG21 H -4.039 -11.506 -2.208 1.00 . A A . 61 ILE HG21 1 1 16 3549 1 1 12 ILE HG22 H -3.308 -10.910 -0.732 1.00 . A A . 61 ILE HG22 1 1 16 3550 1 1 12 ILE HG23 H -2.448 -10.781 -2.251 1.00 . A A . 61 ILE HG23 1 1 16 3551 1 1 12 ILE N N -3.821 -13.004 0.559 1.00 . A A . 61 ILE N 1 1 16 3552 1 1 12 ILE O O -3.042 -16.062 -0.985 1.00 . A A . 61 ILE O 1 1 16 3553 1 1 13 ILE C C -2.407 -17.521 1.331 1.00 . A A . 62 ARG C 1 1 16 3554 1 1 13 ILE CA C -1.355 -16.434 1.121 1.00 . A A . 62 ARG CA 1 1 16 3555 1 1 13 ILE CB C -0.503 -16.200 2.404 1.00 . A A . 62 ARG CB 1 1 16 3556 1 1 13 ILE H H -1.804 -14.341 1.309 1.00 . A A . 62 ARG H 1 1 16 3557 1 1 13 ILE HA H -0.718 -16.740 0.304 1.00 . A A . 62 ARG HA 1 1 16 3558 1 1 13 ILE HD12 H -0.089 -18.198 4.541 1.00 . A A . 62 ARG HD2 1 1 16 3559 1 1 13 ILE HD13 H -1.072 -18.768 3.208 1.00 . A A . 62 ARG HD3 1 1 16 3560 1 1 13 ILE N N -1.994 -15.134 0.751 1.00 . A A . 62 ARG N 1 1 16 3561 1 1 13 ILE O O -2.119 -18.680 1.118 1.00 . A A . 62 ARG O 1 1 16 3562 1 1 14 ARG C C -5.778 -18.029 0.924 1.00 . A A . 63 ILE C 1 1 16 3563 1 1 14 ARG CA C -4.645 -18.215 1.934 1.00 . A A . 63 ILE CA 1 1 16 3564 1 1 14 ARG CB C -5.083 -18.082 3.416 1.00 . A A . 63 ILE CB 1 1 16 3565 1 1 14 ARG H H -3.837 -16.216 1.888 1.00 . A A . 63 ILE H 1 1 16 3566 1 1 14 ARG HA H -4.254 -19.212 1.749 1.00 . A A . 63 ILE HA 1 1 16 3567 1 1 14 ARG N N -3.601 -17.161 1.726 1.00 . A A . 63 ILE N 1 1 16 3568 1 1 14 ARG O O -6.893 -18.482 1.102 1.00 . A A . 63 ILE O 1 1 16 3569 1 1 15 ILE C C -6.195 -18.176 -2.263 1.00 . A A . 64 LEU C 1 1 16 3570 1 1 15 ILE CA C -6.391 -17.079 -1.219 1.00 . A A . 64 LEU CA 1 1 16 3571 1 1 15 ILE CB C -6.080 -15.658 -1.751 1.00 . A A . 64 LEU CB 1 1 16 3572 1 1 15 ILE CD1 C -8.453 -14.906 -2.184 1.00 . A A . 64 LEU CD1 1 1 16 3573 1 1 15 ILE H H -4.504 -17.010 -0.200 1.00 . A A . 64 LEU H 1 1 16 3574 1 1 15 ILE HA H -7.385 -17.180 -0.828 1.00 . A A . 64 LEU HA 1 1 16 3575 1 1 15 ILE HD11 H -8.361 -14.135 -1.432 1.00 . A A . 64 LEU HD11 1 1 16 3576 1 1 15 ILE HD12 H -9.157 -14.570 -2.933 1.00 . A A . 64 LEU HD12 1 1 16 3577 1 1 15 ILE HD13 H -8.850 -15.797 -1.719 1.00 . A A . 64 LEU HD13 1 1 16 3578 1 1 15 ILE N N -5.423 -17.350 -0.132 1.00 . A A . 64 LEU N 1 1 16 3579 1 1 15 ILE O O -6.683 -19.279 -2.102 1.00 . A A . 64 LEU O 1 1 16 3580 1 1 16 LEU C C -4.507 -20.165 -3.821 1.00 . A A . 65 GLN C 1 1 16 3581 1 1 16 LEU CA C -5.297 -18.968 -4.322 1.00 . A A . 65 GLN CA 1 1 16 3582 1 1 16 LEU CB C -4.593 -18.396 -5.568 1.00 . A A . 65 GLN CB 1 1 16 3583 1 1 16 LEU CG C -3.163 -17.901 -5.215 1.00 . A A . 65 GLN CG 1 1 16 3584 1 1 16 LEU H H -5.064 -17.022 -3.443 1.00 . A A . 65 GLN H 1 1 16 3585 1 1 16 LEU HA H -6.280 -19.331 -4.535 1.00 . A A . 65 GLN HA 1 1 16 3586 1 1 16 LEU HB3 H -4.516 -19.175 -6.310 1.00 . A A . 65 GLN HB2 1 1 16 3587 1 1 16 LEU N N -5.475 -17.897 -3.312 1.00 . A A . 65 GLN N 1 1 16 3588 1 1 16 LEU O O -4.316 -21.112 -4.560 1.00 . A A . 65 GLN O 1 1 16 3589 1 1 17 GLN C C -4.240 -22.489 -2.021 1.00 . A A . 66 GLN C 1 1 16 3590 1 1 17 GLN CA C -3.296 -21.308 -2.119 1.00 . A A . 66 GLN CA 1 1 16 3591 1 1 17 GLN CB C -2.653 -20.992 -0.742 1.00 . A A . 66 GLN CB 1 1 16 3592 1 1 17 GLN CD C -1.077 -19.178 -1.710 1.00 . A A . 66 GLN CD 1 1 16 3593 1 1 17 GLN CG C -1.169 -20.497 -0.928 1.00 . A A . 66 GLN CG 1 1 16 3594 1 1 17 GLN H H -4.285 -19.369 -1.998 1.00 . A A . 66 GLN H 1 1 16 3595 1 1 17 GLN HA H -2.548 -21.552 -2.865 1.00 . A A . 66 GLN HA 1 1 16 3596 1 1 17 GLN HB3 H -3.229 -20.236 -0.233 1.00 . A A . 66 GLN HB2 1 1 16 3597 1 1 17 GLN HE21 H -2.649 -18.441 -0.806 1.00 . A A . 66 GLN HE21 1 1 16 3598 1 1 17 GLN HE22 H -1.958 -17.413 -1.963 1.00 . A A . 66 GLN HE22 1 1 16 3599 1 1 17 GLN HG3 H -0.719 -20.334 0.041 1.00 . A A . 66 GLN HG2 1 1 16 3600 1 1 17 GLN N N -4.078 -20.130 -2.588 1.00 . A A . 66 GLN N 1 1 16 3601 1 1 17 GLN NE2 N -1.965 -18.266 -1.481 1.00 . A A . 66 GLN NE2 1 1 16 3602 1 1 17 GLN O O -3.857 -23.594 -2.338 1.00 . A A . 66 GLN O 1 1 16 3603 1 1 17 GLN OE1 O -0.207 -18.955 -2.527 1.00 . A A . 66 GLN OE1 1 1 16 3604 1 1 18 GLN C C -7.110 -23.626 -2.822 1.00 . A A . 67 LEU C 1 1 16 3605 1 1 18 GLN CA C -6.416 -23.378 -1.492 1.00 . A A . 67 LEU CA 1 1 16 3606 1 1 18 GLN CB C -7.420 -23.035 -0.358 1.00 . A A . 67 LEU CB 1 1 16 3607 1 1 18 GLN CG C -8.245 -21.724 -0.565 1.00 . A A . 67 LEU CG 1 1 16 3608 1 1 18 GLN H H -5.731 -21.317 -1.387 1.00 . A A . 67 LEU H 1 1 16 3609 1 1 18 GLN HA H -5.874 -24.276 -1.241 1.00 . A A . 67 LEU HA 1 1 16 3610 1 1 18 GLN HB3 H -8.096 -23.864 -0.285 1.00 . A A . 67 LEU HB2 1 1 16 3611 1 1 18 GLN N N -5.455 -22.238 -1.607 1.00 . A A . 67 LEU N 1 1 16 3612 1 1 18 GLN O O -7.583 -24.705 -3.124 1.00 . A A . 67 LEU O 1 1 16 3613 1 1 19 LEU C C -6.812 -23.350 -5.826 1.00 . A A . 68 LEU C 1 1 16 3614 1 1 19 LEU CA C -7.766 -22.659 -4.937 1.00 . A A . 68 LEU CA 1 1 16 3615 1 1 19 LEU CB C -8.030 -21.273 -5.521 1.00 . A A . 68 LEU CB 1 1 16 3616 1 1 19 LEU CD1 C -9.332 -19.089 -5.343 1.00 . A A . 68 LEU CD1 1 1 16 3617 1 1 19 LEU CD2 C -10.550 -21.286 -5.213 1.00 . A A . 68 LEU CD2 1 1 16 3618 1 1 19 LEU CG C -9.232 -20.558 -4.847 1.00 . A A . 68 LEU CG 1 1 16 3619 1 1 19 LEU H H -6.697 -21.784 -3.310 1.00 . A A . 68 LEU H 1 1 16 3620 1 1 19 LEU HA H -8.637 -23.275 -4.888 1.00 . A A . 68 LEU HA 1 1 16 3621 1 1 19 LEU HB3 H -7.128 -20.708 -5.412 1.00 . A A . 68 LEU HB2 1 1 16 3622 1 1 19 LEU HD11 H -9.464 -19.060 -6.415 1.00 . A A . 68 LEU HD11 1 1 16 3623 1 1 19 LEU HD12 H -10.175 -18.594 -4.880 1.00 . A A . 68 LEU HD12 1 1 16 3624 1 1 19 LEU HD13 H -8.437 -18.540 -5.088 1.00 . A A . 68 LEU HD13 1 1 16 3625 1 1 19 LEU HD21 H -10.704 -21.289 -6.282 1.00 . A A . 68 LEU HD21 1 1 16 3626 1 1 19 LEU HD22 H -10.547 -22.307 -4.864 1.00 . A A . 68 LEU HD22 1 1 16 3627 1 1 19 LEU HD23 H -11.389 -20.783 -4.752 1.00 . A A . 68 LEU HD23 1 1 16 3628 1 1 19 LEU HG H -9.109 -20.560 -3.778 1.00 . A A . 68 LEU HG 1 1 16 3629 1 1 19 LEU N N -7.128 -22.594 -3.607 1.00 . A A . 68 LEU N 1 1 16 3630 1 1 19 LEU O O -7.217 -23.981 -6.768 1.00 . A A . 68 LEU O 1 1 16 3631 1 1 20 LEU C C -4.968 -25.361 -6.430 1.00 . A A . 69 PHE C 1 1 16 3632 1 1 20 LEU CA C -4.598 -23.933 -6.408 1.00 . A A . 69 PHE CA 1 1 16 3633 1 1 20 LEU CB C -3.195 -23.725 -5.844 1.00 . A A . 69 PHE CB 1 1 16 3634 1 1 20 LEU CD1 C -1.806 -24.395 -7.831 1.00 . A A . 69 PHE CD1 1 1 16 3635 1 1 20 LEU CD2 C -1.681 -25.758 -5.881 1.00 . A A . 69 PHE CD2 1 1 16 3636 1 1 20 LEU CG C -2.195 -24.655 -6.538 1.00 . A A . 69 PHE CG 1 1 16 3637 1 1 20 LEU H H -5.242 -22.782 -4.757 1.00 . A A . 69 PHE H 1 1 16 3638 1 1 20 LEU HA H -4.780 -23.571 -7.403 1.00 . A A . 69 PHE HA 1 1 16 3639 1 1 20 LEU HB3 H -2.905 -22.703 -6.022 1.00 . A A . 69 PHE HB2 1 1 16 3640 1 1 20 LEU N N -5.557 -23.262 -5.535 1.00 . A A . 69 PHE N 1 1 16 3641 1 1 20 LEU O O -4.991 -25.937 -7.493 1.00 . A A . 69 PHE O 1 1 16 3642 1 1 21 PHE C C -7.107 -27.540 -5.630 1.00 . A A . 70 ILE C 1 1 16 3643 1 1 21 PHE CA C -5.635 -27.333 -5.385 1.00 . A A . 70 ILE CA 1 1 16 3644 1 1 21 PHE CB C -5.211 -28.064 -4.106 1.00 . A A . 70 ILE CB 1 1 16 3645 1 1 21 PHE CD1 C -4.316 -26.291 -2.504 1.00 . A A . 70 ILE CD1 1 1 16 3646 1 1 21 PHE H H -5.329 -25.386 -4.442 1.00 . A A . 70 ILE H 1 1 16 3647 1 1 21 PHE HA H -5.094 -27.716 -6.218 1.00 . A A . 70 ILE HA 1 1 16 3648 1 1 21 PHE N N -5.290 -25.900 -5.290 1.00 . A A . 70 ILE N 1 1 16 3649 1 1 21 PHE O O -7.519 -28.579 -6.105 1.00 . A A . 70 ILE O 1 1 16 3650 1 1 22 ILE C C -9.658 -26.302 -6.975 1.00 . A A . 71 HIS C 1 1 16 3651 1 1 22 ILE CA C -9.334 -26.672 -5.519 1.00 . A A . 71 HIS CA 1 1 16 3652 1 1 22 ILE CB C -9.997 -25.756 -4.477 1.00 . A A . 71 HIS CB 1 1 16 3653 1 1 22 ILE H H -7.486 -25.709 -4.939 1.00 . A A . 71 HIS H 1 1 16 3654 1 1 22 ILE HA H -9.616 -27.701 -5.368 1.00 . A A . 71 HIS HA 1 1 16 3655 1 1 22 ILE HD11 H -11.583 -26.906 -2.490 1.00 . A A . 71 HIS HD1 1 1 16 3656 1 1 22 ILE HD12 H -12.313 -25.264 -6.232 1.00 . A A . 71 HIS HD2 1 1 16 3657 1 1 22 ILE N N -7.871 -26.536 -5.308 1.00 . A A . 71 HIS N 1 1 16 3658 1 1 22 ILE O O -10.758 -26.511 -7.437 1.00 . A A . 71 HIS O 1 1 16 3659 1 1 23 HIS C C -8.095 -26.341 -9.966 1.00 . A A . 72 PHE C 1 1 16 3660 1 1 23 HIS CA C -8.907 -25.374 -9.105 1.00 . A A . 72 PHE CA 1 1 16 3661 1 1 23 HIS CB C -8.429 -23.907 -9.355 1.00 . A A . 72 PHE CB 1 1 16 3662 1 1 23 HIS CD2 C -9.467 -22.942 -11.475 1.00 . A A . 72 PHE CD2 1 1 16 3663 1 1 23 HIS CE1 C -11.518 -21.822 -9.999 1.00 . A A . 72 PHE CE1 1 1 16 3664 1 1 23 HIS CG C -9.505 -23.119 -10.107 1.00 . A A . 72 PHE CG 1 1 16 3665 1 1 23 HIS H H -7.822 -25.608 -7.242 1.00 . A A . 72 PHE H 1 1 16 3666 1 1 23 HIS HA H -9.941 -25.499 -9.360 1.00 . A A . 72 PHE HA 1 1 16 3667 1 1 23 HIS HB3 H -8.286 -23.370 -8.439 1.00 . A A . 72 PHE HB2 1 1 16 3668 1 1 23 HIS HD1 H -10.571 -22.695 -8.310 1.00 . A A . 72 PHE HD1 1 1 16 3669 1 1 23 HIS HD2 H -8.668 -23.379 -12.058 1.00 . A A . 72 PHE HD2 1 1 16 3670 1 1 23 HIS HE1 H -12.313 -21.387 -9.408 1.00 . A A . 72 PHE HE1 1 1 16 3671 1 1 23 HIS N N -8.692 -25.763 -7.673 1.00 . A A . 72 PHE N 1 1 16 3672 1 1 23 HIS O O -8.611 -26.893 -10.918 1.00 . A A . 72 PHE O 1 1 16 3673 1 1 24 PHE C C -6.632 -28.815 -10.756 1.00 . A A . 73 ARG C 1 1 16 3674 1 1 24 PHE CA C -5.975 -27.474 -10.407 1.00 . A A . 73 ARG CA 1 1 16 3675 1 1 24 PHE CB C -4.688 -27.756 -9.614 1.00 . A A . 73 ARG CB 1 1 16 3676 1 1 24 PHE CG C -3.679 -26.594 -9.803 1.00 . A A . 73 ARG CG 1 1 16 3677 1 1 24 PHE CZ C -1.380 -28.545 -11.889 1.00 . A A . 73 ARG CZ 1 1 16 3678 1 1 24 PHE H H -6.479 -26.068 -8.819 1.00 . A A . 73 ARG H 1 1 16 3679 1 1 24 PHE HA H -5.730 -26.989 -11.340 1.00 . A A . 73 ARG HA 1 1 16 3680 1 1 24 PHE HB3 H -4.930 -27.886 -8.572 1.00 . A A . 73 ARG HB2 1 1 16 3681 1 1 24 PHE HD2 H -3.522 -26.946 -11.947 1.00 . A A . 73 ARG HD2 1 1 16 3682 1 1 24 PHE N N -6.849 -26.536 -9.610 1.00 . A A . 73 ARG N 1 1 16 3683 1 1 24 PHE O O -6.397 -29.360 -11.814 1.00 . A A . 73 ARG O 1 1 16 3684 1 1 25 ARG C C -9.405 -30.480 -10.943 1.00 . A A . 74 ILE C 1 1 16 3685 1 1 25 ARG CA C -8.122 -30.618 -10.098 1.00 . A A . 74 ILE CA 1 1 16 3686 1 1 25 ARG CB C -8.415 -31.216 -8.693 1.00 . A A . 74 ILE CB 1 1 16 3687 1 1 25 ARG H H -7.585 -28.831 -9.018 1.00 . A A . 74 ILE H 1 1 16 3688 1 1 25 ARG HA H -7.448 -31.267 -10.641 1.00 . A A . 74 ILE HA 1 1 16 3689 1 1 25 ARG N N -7.435 -29.313 -9.859 1.00 . A A . 74 ILE N 1 1 16 3690 1 1 25 ARG O O -9.877 -31.440 -11.523 1.00 . A A . 74 ILE O 1 1 16 3691 1 1 26 ILE C C -10.897 -28.469 -13.164 1.00 . A A . 75 GLY C 1 1 16 3692 1 1 26 ILE CA C -11.186 -29.026 -11.774 1.00 . A A . 75 GLY CA 1 1 16 3693 1 1 26 ILE H H -9.474 -28.567 -10.506 1.00 . A A . 75 GLY H 1 1 16 3694 1 1 26 ILE N N -9.930 -29.288 -10.990 1.00 . A A . 75 GLY N 1 1 16 3695 1 1 26 ILE O O -11.553 -28.783 -14.136 1.00 . A A . 75 GLY O 1 1 16 3696 1 1 27 GLY N N -9.918 -27.632 -13.310 1.00 . A A . 76 NH2 N 1 1 17 3697 1 1 1 ACE C C 4.666 5.071 4.516 1.00 . A A . 50 ACE C 1 1 17 3698 1 1 1 ACE CH3 C 5.854 5.992 4.785 1.00 . A A . 50 ACE CH3 1 1 17 3699 1 1 1 ACE O O 4.087 5.114 3.452 1.00 . A A . 50 ACE O 1 1 17 3700 1 1 2 TYR C C 4.356 -0.130 2.524 1.00 . A A . 51 GLY C 1 1 17 3701 1 1 2 TYR CA C 4.260 1.366 2.202 1.00 . A A . 51 GLY CA 1 1 17 3702 1 1 2 TYR H H 5.080 2.610 3.782 1.00 . A A . 51 GLY H 1 1 17 3703 1 1 2 TYR N N 4.254 2.210 3.448 1.00 . A A . 51 GLY N 1 1 17 3704 1 1 2 TYR O O 4.644 -0.938 1.664 1.00 . A A . 51 GLY O 1 1 17 3705 1 1 3 GLY C C 2.779 -2.478 4.519 1.00 . A A . 52 ASP C 1 1 17 3706 1 1 3 GLY CA C 4.170 -1.906 4.207 1.00 . A A . 52 ASP CA 1 1 17 3707 1 1 3 GLY H H 3.859 0.226 4.401 1.00 . A A . 52 ASP H 1 1 17 3708 1 1 3 GLY N N 4.103 -0.472 3.758 1.00 . A A . 52 ASP N 1 1 17 3709 1 1 3 GLY O O 2.605 -3.220 5.465 1.00 . A A . 52 ASP O 1 1 17 3710 1 1 4 ASP C C 0.188 -3.993 3.389 1.00 . A A . 53 THR C 1 1 17 3711 1 1 4 ASP CA C 0.418 -2.622 3.929 1.00 . A A . 53 THR CA 1 1 17 3712 1 1 4 ASP CB C -0.506 -1.600 3.266 1.00 . A A . 53 THR CB 1 1 17 3713 1 1 4 ASP H H 1.957 -1.528 2.957 1.00 . A A . 53 THR H 1 1 17 3714 1 1 4 ASP HA H 0.253 -2.760 4.954 1.00 . A A . 53 THR HA 1 1 17 3715 1 1 4 ASP N N 1.813 -2.128 3.720 1.00 . A A . 53 THR N 1 1 17 3716 1 1 4 ASP O O -0.489 -4.846 3.935 1.00 . A A . 53 THR O 1 1 17 3717 1 1 5 THR C C 1.004 -6.664 2.369 1.00 . A A . 54 TRP C 1 1 17 3718 1 1 5 THR CA C 0.732 -5.405 1.544 1.00 . A A . 54 TRP CA 1 1 17 3719 1 1 5 THR CB C 1.703 -5.316 0.363 1.00 . A A . 54 TRP CB 1 1 17 3720 1 1 5 THR H H 1.310 -3.345 1.985 1.00 . A A . 54 TRP H 1 1 17 3721 1 1 5 THR HA H -0.296 -5.430 1.238 1.00 . A A . 54 TRP HA 1 1 17 3722 1 1 5 THR N N 0.811 -4.133 2.279 1.00 . A A . 54 TRP N 1 1 17 3723 1 1 5 THR O O 0.614 -7.746 1.968 1.00 . A A . 54 TRP O 1 1 17 3724 1 1 6 TRP C C 0.597 -8.296 4.817 1.00 . A A . 55 ALA C 1 1 17 3725 1 1 6 TRP CA C 1.933 -7.715 4.334 1.00 . A A . 55 ALA CA 1 1 17 3726 1 1 6 TRP CB C 2.799 -7.306 5.539 1.00 . A A . 55 ALA CB 1 1 17 3727 1 1 6 TRP H H 1.939 -5.612 3.779 1.00 . A A . 55 ALA H 1 1 17 3728 1 1 6 TRP HA H 2.420 -8.461 3.719 1.00 . A A . 55 ALA HA 1 1 17 3729 1 1 6 TRP HB2 H 2.290 -6.570 6.145 1.00 . A A . 55 ALA HB1 1 1 17 3730 1 1 6 TRP HB3 H 2.991 -8.177 6.149 1.00 . A A . 55 ALA HB2 1 1 17 3731 1 1 6 TRP N N 1.651 -6.507 3.495 1.00 . A A . 55 ALA N 1 1 17 3732 1 1 6 TRP O O 0.442 -9.492 4.974 1.00 . A A . 55 ALA O 1 1 17 3733 1 1 7 ALA C C -2.293 -8.604 4.336 1.00 . A A . 56 GLY C 1 1 17 3734 1 1 7 ALA CA C -1.687 -7.848 5.501 1.00 . A A . 56 GLY CA 1 1 17 3735 1 1 7 ALA H H -0.160 -6.459 4.858 1.00 . A A . 56 GLY H 1 1 17 3736 1 1 7 ALA N N -0.342 -7.409 5.027 1.00 . A A . 56 GLY N 1 1 17 3737 1 1 7 ALA O O -2.718 -9.732 4.462 1.00 . A A . 56 GLY O 1 1 17 3738 1 1 8 GLY C C -2.309 -9.931 1.735 1.00 . A A . 57 VAL C 1 1 17 3739 1 1 8 GLY CA C -2.851 -8.522 1.971 1.00 . A A . 57 VAL CA 1 1 17 3740 1 1 8 GLY H H -1.928 -7.035 3.177 1.00 . A A . 57 VAL H 1 1 17 3741 1 1 8 GLY N N -2.298 -7.940 3.215 1.00 . A A . 57 VAL N 1 1 17 3742 1 1 8 GLY O O -3.060 -10.861 1.496 1.00 . A A . 57 VAL O 1 1 17 3743 1 1 9 VAL C C -1.024 -12.448 2.567 1.00 . A A . 58 GLU C 1 1 17 3744 1 1 9 VAL CA C -0.473 -11.432 1.581 1.00 . A A . 58 GLU CA 1 1 17 3745 1 1 9 VAL CB C 1.071 -11.442 1.695 1.00 . A A . 58 GLU CB 1 1 17 3746 1 1 9 VAL H H -0.419 -9.306 2.014 1.00 . A A . 58 GLU H 1 1 17 3747 1 1 9 VAL HA H -0.818 -11.731 0.606 1.00 . A A . 58 GLU HA 1 1 17 3748 1 1 9 VAL N N -1.012 -10.067 1.813 1.00 . A A . 58 GLU N 1 1 17 3749 1 1 9 VAL O O -1.128 -13.611 2.250 1.00 . A A . 58 GLU O 1 1 17 3750 1 1 10 GLU C C -3.265 -13.574 4.230 1.00 . A A . 59 ALA C 1 1 17 3751 1 1 10 GLU CA C -1.929 -13.017 4.714 1.00 . A A . 59 ALA CA 1 1 17 3752 1 1 10 GLU CB C -2.092 -12.323 6.075 1.00 . A A . 59 ALA CB 1 1 17 3753 1 1 10 GLU H H -1.345 -11.055 3.942 1.00 . A A . 59 ALA H 1 1 17 3754 1 1 10 GLU HA H -1.236 -13.848 4.760 1.00 . A A . 59 ALA HA 1 1 17 3755 1 1 10 GLU HB2 H -1.139 -11.939 6.410 1.00 . A A . 59 ALA HB1 1 1 17 3756 1 1 10 GLU HB3 H -2.784 -11.496 5.999 1.00 . A A . 59 ALA HB2 1 1 17 3757 1 1 10 GLU N N -1.397 -12.017 3.733 1.00 . A A . 59 ALA N 1 1 17 3758 1 1 10 GLU O O -3.728 -14.607 4.671 1.00 . A A . 59 ALA O 1 1 17 3759 1 1 11 ALA C C -4.880 -14.135 1.533 1.00 . A A . 60 ILE C 1 1 17 3760 1 1 11 ALA CA C -5.147 -13.251 2.734 1.00 . A A . 60 ILE CA 1 1 17 3761 1 1 11 ALA CB C -5.901 -11.966 2.311 1.00 . A A . 60 ILE CB 1 1 17 3762 1 1 11 ALA H H -3.391 -12.040 2.999 1.00 . A A . 60 ILE H 1 1 17 3763 1 1 11 ALA HA H -5.684 -13.856 3.451 1.00 . A A . 60 ILE HA 1 1 17 3764 1 1 11 ALA N N -3.837 -12.856 3.313 1.00 . A A . 60 ILE N 1 1 17 3765 1 1 11 ALA O O -5.396 -15.231 1.426 1.00 . A A . 60 ILE O 1 1 17 3766 1 1 12 ILE C C -3.119 -15.748 -0.110 1.00 . A A . 61 ILE C 1 1 17 3767 1 1 12 ILE CA C -3.749 -14.436 -0.558 1.00 . A A . 61 ILE CA 1 1 17 3768 1 1 12 ILE CB C -2.832 -13.567 -1.475 1.00 . A A . 61 ILE CB 1 1 17 3769 1 1 12 ILE CD1 C -0.647 -14.668 -1.485 1.00 . A A . 61 ILE CD1 1 1 17 3770 1 1 12 ILE CG1 C -1.425 -13.472 -0.975 1.00 . A A . 61 ILE CG1 1 1 17 3771 1 1 12 ILE CG2 C -3.426 -12.150 -1.668 1.00 . A A . 61 ILE CG2 1 1 17 3772 1 1 12 ILE H H -3.638 -12.753 0.786 1.00 . A A . 61 ILE H 1 1 17 3773 1 1 12 ILE HA H -4.629 -14.675 -1.103 1.00 . A A . 61 ILE HA 1 1 17 3774 1 1 12 ILE HB H -2.788 -14.019 -2.444 1.00 . A A . 61 ILE HB 1 1 17 3775 1 1 12 ILE HD11 H -0.669 -14.657 -2.564 1.00 . A A . 61 ILE HD11 1 1 17 3776 1 1 12 ILE HD12 H 0.364 -14.588 -1.127 1.00 . A A . 61 ILE HD12 1 1 17 3777 1 1 12 ILE HD13 H -1.060 -15.602 -1.147 1.00 . A A . 61 ILE HD13 1 1 17 3778 1 1 12 ILE HG13 H -0.965 -12.557 -1.313 1.00 . A A . 61 ILE HG12 1 1 17 3779 1 1 12 ILE HG21 H -4.409 -12.210 -2.109 1.00 . A A . 61 ILE HG21 1 1 17 3780 1 1 12 ILE HG22 H -3.505 -11.617 -0.735 1.00 . A A . 61 ILE HG22 1 1 17 3781 1 1 12 ILE HG23 H -2.799 -11.575 -2.331 1.00 . A A . 61 ILE HG23 1 1 17 3782 1 1 12 ILE N N -4.056 -13.634 0.652 1.00 . A A . 61 ILE N 1 1 17 3783 1 1 12 ILE O O -3.368 -16.767 -0.721 1.00 . A A . 61 ILE O 1 1 17 3784 1 1 13 ILE C C -2.649 -18.068 1.672 1.00 . A A . 62 ARG C 1 1 17 3785 1 1 13 ILE CA C -1.665 -16.926 1.476 1.00 . A A . 62 ARG CA 1 1 17 3786 1 1 13 ILE CB C -1.005 -16.599 2.823 1.00 . A A . 62 ARG CB 1 1 17 3787 1 1 13 ILE H H -2.186 -14.846 1.402 1.00 . A A . 62 ARG H 1 1 17 3788 1 1 13 ILE HA H -0.918 -17.244 0.764 1.00 . A A . 62 ARG HA 1 1 17 3789 1 1 13 ILE HD12 H 1.397 -17.775 2.937 1.00 . A A . 62 ARG HD2 1 1 17 3790 1 1 13 ILE HD13 H 1.413 -17.173 1.275 1.00 . A A . 62 ARG HD3 1 1 17 3791 1 1 13 ILE N N -2.339 -15.701 0.942 1.00 . A A . 62 ARG N 1 1 17 3792 1 1 13 ILE O O -2.252 -19.215 1.671 1.00 . A A . 62 ARG O 1 1 17 3793 1 1 14 ARG C C -5.997 -18.808 0.948 1.00 . A A . 63 ILE C 1 1 17 3794 1 1 14 ARG CA C -4.906 -18.815 2.039 1.00 . A A . 63 ILE CA 1 1 17 3795 1 1 14 ARG CB C -5.459 -18.611 3.470 1.00 . A A . 63 ILE CB 1 1 17 3796 1 1 14 ARG H H -4.180 -16.786 1.852 1.00 . A A . 63 ILE H 1 1 17 3797 1 1 14 ARG HA H -4.432 -19.785 2.049 1.00 . A A . 63 ILE HA 1 1 17 3798 1 1 14 ARG N N -3.901 -17.735 1.844 1.00 . A A . 63 ILE N 1 1 17 3799 1 1 14 ARG O O -6.406 -19.843 0.460 1.00 . A A . 63 ILE O 1 1 17 3800 1 1 15 ILE C C -7.116 -18.073 -1.756 1.00 . A A . 64 LEU C 1 1 17 3801 1 1 15 ILE CA C -7.461 -17.402 -0.441 1.00 . A A . 64 LEU CA 1 1 17 3802 1 1 15 ILE CB C -7.629 -15.861 -0.604 1.00 . A A . 64 LEU CB 1 1 17 3803 1 1 15 ILE CD1 C -10.063 -16.035 -1.341 1.00 . A A . 64 LEU CD1 1 1 17 3804 1 1 15 ILE H H -5.983 -16.857 1.006 1.00 . A A . 64 LEU H 1 1 17 3805 1 1 15 ILE HA H -8.385 -17.826 -0.090 1.00 . A A . 64 LEU HA 1 1 17 3806 1 1 15 ILE HD11 H -10.396 -15.606 -0.407 1.00 . A A . 64 LEU HD11 1 1 17 3807 1 1 15 ILE HD12 H -10.764 -15.762 -2.116 1.00 . A A . 64 LEU HD12 1 1 17 3808 1 1 15 ILE HD13 H -10.070 -17.111 -1.253 1.00 . A A . 64 LEU HD13 1 1 17 3809 1 1 15 ILE N N -6.406 -17.625 0.587 1.00 . A A . 64 LEU N 1 1 17 3810 1 1 15 ILE O O -7.653 -19.113 -2.094 1.00 . A A . 64 LEU O 1 1 17 3811 1 1 16 LEU C C -5.071 -19.371 -3.487 1.00 . A A . 65 GLN C 1 1 17 3812 1 1 16 LEU CA C -5.889 -18.155 -3.776 1.00 . A A . 65 GLN CA 1 1 17 3813 1 1 16 LEU CB C -5.100 -17.192 -4.725 1.00 . A A . 65 GLN CB 1 1 17 3814 1 1 16 LEU CG C -4.986 -17.807 -6.179 1.00 . A A . 65 GLN CG 1 1 17 3815 1 1 16 LEU H H -5.770 -16.663 -2.206 1.00 . A A . 65 GLN H 1 1 17 3816 1 1 16 LEU HA H -6.812 -18.524 -4.187 1.00 . A A . 65 GLN HA 1 1 17 3817 1 1 16 LEU HB3 H -5.623 -16.249 -4.797 1.00 . A A . 65 GLN HB2 1 1 17 3818 1 1 16 LEU N N -6.211 -17.488 -2.492 1.00 . A A . 65 GLN N 1 1 17 3819 1 1 16 LEU O O -4.808 -20.118 -4.399 1.00 . A A . 65 GLN O 1 1 17 3820 1 1 17 GLN C C -4.776 -22.028 -1.960 1.00 . A A . 66 GLN C 1 1 17 3821 1 1 17 GLN CA C -3.865 -20.824 -2.056 1.00 . A A . 66 GLN CA 1 1 17 3822 1 1 17 GLN CB C -3.024 -20.617 -0.781 1.00 . A A . 66 GLN CB 1 1 17 3823 1 1 17 GLN CD C -1.427 -19.353 -2.331 1.00 . A A . 66 GLN CD 1 1 17 3824 1 1 17 GLN CG C -1.530 -20.381 -1.193 1.00 . A A . 66 GLN CG 1 1 17 3825 1 1 17 GLN H H -4.945 -18.985 -1.536 1.00 . A A . 66 GLN H 1 1 17 3826 1 1 17 GLN HA H -3.225 -20.981 -2.914 1.00 . A A . 66 GLN HA 1 1 17 3827 1 1 17 GLN HB3 H -3.392 -19.766 -0.231 1.00 . A A . 66 GLN HB2 1 1 17 3828 1 1 17 GLN HE21 H -1.940 -17.811 -1.208 1.00 . A A . 66 GLN HE21 1 1 17 3829 1 1 17 GLN HE22 H -1.601 -17.467 -2.835 1.00 . A A . 66 GLN HE22 1 1 17 3830 1 1 17 GLN HG3 H -0.966 -20.019 -0.346 1.00 . A A . 66 GLN HG2 1 1 17 3831 1 1 17 GLN N N -4.685 -19.594 -2.268 1.00 . A A . 66 GLN N 1 1 17 3832 1 1 17 GLN NE2 N -1.676 -18.107 -2.103 1.00 . A A . 66 GLN NE2 1 1 17 3833 1 1 17 GLN O O -4.371 -23.120 -2.304 1.00 . A A . 66 GLN O 1 1 17 3834 1 1 17 GLN OE1 O -1.123 -19.679 -3.461 1.00 . A A . 66 GLN OE1 1 1 17 3835 1 1 18 GLN C C -7.596 -23.106 -2.764 1.00 . A A . 67 LEU C 1 1 17 3836 1 1 18 GLN CA C -6.892 -22.990 -1.419 1.00 . A A . 67 LEU CA 1 1 17 3837 1 1 18 GLN CB C -7.858 -22.748 -0.207 1.00 . A A . 67 LEU CB 1 1 17 3838 1 1 18 GLN CG C -8.825 -21.536 -0.306 1.00 . A A . 67 LEU CG 1 1 17 3839 1 1 18 GLN H H -6.299 -20.911 -1.268 1.00 . A A . 67 LEU H 1 1 17 3840 1 1 18 GLN HA H -6.302 -23.884 -1.274 1.00 . A A . 67 LEU HA 1 1 17 3841 1 1 18 GLN HB3 H -8.437 -23.641 -0.093 1.00 . A A . 67 LEU HB2 1 1 17 3842 1 1 18 GLN N N -5.987 -21.814 -1.519 1.00 . A A . 67 LEU N 1 1 17 3843 1 1 18 GLN O O -7.978 -24.168 -3.214 1.00 . A A . 67 LEU O 1 1 17 3844 1 1 19 LEU C C -7.454 -22.452 -5.765 1.00 . A A . 68 LEU C 1 1 17 3845 1 1 19 LEU CA C -8.406 -21.963 -4.717 1.00 . A A . 68 LEU CA 1 1 17 3846 1 1 19 LEU CB C -8.853 -20.532 -5.060 1.00 . A A . 68 LEU CB 1 1 17 3847 1 1 19 LEU CD1 C -10.342 -18.573 -4.556 1.00 . A A . 68 LEU CD1 1 1 17 3848 1 1 19 LEU CD2 C -11.255 -20.892 -4.288 1.00 . A A . 68 LEU CD2 1 1 17 3849 1 1 19 LEU CG C -9.984 -20.017 -4.133 1.00 . A A . 68 LEU CG 1 1 17 3850 1 1 19 LEU H H -7.412 -21.160 -2.997 1.00 . A A . 68 LEU H 1 1 17 3851 1 1 19 LEU HA H -9.187 -22.699 -4.709 1.00 . A A . 68 LEU HA 1 1 17 3852 1 1 19 LEU HB3 H -7.995 -19.887 -4.952 1.00 . A A . 68 LEU HB2 1 1 17 3853 1 1 19 LEU HD11 H -10.683 -18.542 -5.581 1.00 . A A . 68 LEU HD11 1 1 17 3854 1 1 19 LEU HD12 H -11.124 -18.177 -3.923 1.00 . A A . 68 LEU HD12 1 1 17 3855 1 1 19 LEU HD13 H -9.476 -17.933 -4.461 1.00 . A A . 68 LEU HD13 1 1 17 3856 1 1 19 LEU HD21 H -11.613 -20.870 -5.308 1.00 . A A . 68 LEU HD21 1 1 17 3857 1 1 19 LEU HD22 H -11.064 -21.919 -4.015 1.00 . A A . 68 LEU HD22 1 1 17 3858 1 1 19 LEU HD23 H -12.034 -20.514 -3.641 1.00 . A A . 68 LEU HD23 1 1 17 3859 1 1 19 LEU HG H -9.653 -20.005 -3.104 1.00 . A A . 68 LEU HG 1 1 17 3860 1 1 19 LEU N N -7.741 -21.981 -3.398 1.00 . A A . 68 LEU N 1 1 17 3861 1 1 19 LEU O O -7.872 -23.191 -6.628 1.00 . A A . 68 LEU O 1 1 17 3862 1 1 20 LEU C C -5.126 -24.008 -6.588 1.00 . A A . 69 PHE C 1 1 17 3863 1 1 20 LEU CA C -5.254 -22.536 -6.713 1.00 . A A . 69 PHE CA 1 1 17 3864 1 1 20 LEU CB C -3.875 -21.852 -6.492 1.00 . A A . 69 PHE CB 1 1 17 3865 1 1 20 LEU CD1 C -2.537 -23.069 -8.275 1.00 . A A . 69 PHE CD1 1 1 17 3866 1 1 20 LEU CD2 C -1.803 -23.199 -6.014 1.00 . A A . 69 PHE CD2 1 1 17 3867 1 1 20 LEU CG C -2.706 -22.732 -6.951 1.00 . A A . 69 PHE CG 1 1 17 3868 1 1 20 LEU H H -5.888 -21.511 -4.962 1.00 . A A . 69 PHE H 1 1 17 3869 1 1 20 LEU HA H -5.687 -22.363 -7.690 1.00 . A A . 69 PHE HA 1 1 17 3870 1 1 20 LEU HB3 H -3.836 -20.924 -7.044 1.00 . A A . 69 PHE HB2 1 1 17 3871 1 1 20 LEU N N -6.211 -22.073 -5.687 1.00 . A A . 69 PHE N 1 1 17 3872 1 1 20 LEU O O -4.948 -24.663 -7.592 1.00 . A A . 69 PHE O 1 1 17 3873 1 1 21 PHE C C -6.390 -26.656 -5.656 1.00 . A A . 70 ILE C 1 1 17 3874 1 1 21 PHE CA C -5.086 -25.982 -5.344 1.00 . A A . 70 ILE CA 1 1 17 3875 1 1 21 PHE CB C -4.523 -26.353 -3.954 1.00 . A A . 70 ILE CB 1 1 17 3876 1 1 21 PHE CD1 C -6.464 -26.949 -2.511 1.00 . A A . 70 ILE CD1 1 1 17 3877 1 1 21 PHE H H -5.415 -23.981 -4.593 1.00 . A A . 70 ILE H 1 1 17 3878 1 1 21 PHE HA H -4.387 -26.254 -6.086 1.00 . A A . 70 ILE HA 1 1 17 3879 1 1 21 PHE N N -5.234 -24.521 -5.397 1.00 . A A . 70 ILE N 1 1 17 3880 1 1 21 PHE O O -6.407 -27.749 -6.191 1.00 . A A . 70 ILE O 1 1 17 3881 1 1 22 ILE C C -8.914 -26.711 -7.169 1.00 . A A . 71 HIS C 1 1 17 3882 1 1 22 ILE CA C -8.769 -26.665 -5.646 1.00 . A A . 71 HIS CA 1 1 17 3883 1 1 22 ILE CB C -9.903 -25.855 -4.997 1.00 . A A . 71 HIS CB 1 1 17 3884 1 1 22 ILE H H -7.413 -25.093 -4.926 1.00 . A A . 71 HIS H 1 1 17 3885 1 1 22 ILE HA H -8.715 -27.671 -5.280 1.00 . A A . 71 HIS HA 1 1 17 3886 1 1 22 ILE HD11 H -12.350 -25.370 -3.793 1.00 . A A . 71 HIS HD1 1 1 17 3887 1 1 22 ILE HD12 H -10.855 -28.461 -6.131 1.00 . A A . 71 HIS HD2 1 1 17 3888 1 1 22 ILE N N -7.470 -25.993 -5.340 1.00 . A A . 71 HIS N 1 1 17 3889 1 1 22 ILE O O -9.350 -27.680 -7.769 1.00 . A A . 71 HIS O 1 1 17 3890 1 1 23 HIS C C -7.461 -26.179 -9.954 1.00 . A A . 72 PHE C 1 1 17 3891 1 1 23 HIS CA C -8.553 -25.430 -9.207 1.00 . A A . 72 PHE CA 1 1 17 3892 1 1 23 HIS CB C -8.466 -23.911 -9.534 1.00 . A A . 72 PHE CB 1 1 17 3893 1 1 23 HIS CD2 C -10.389 -23.065 -10.944 1.00 . A A . 72 PHE CD2 1 1 17 3894 1 1 23 HIS CE1 C -12.025 -22.754 -8.748 1.00 . A A . 72 PHE CE1 1 1 17 3895 1 1 23 HIS CG C -9.903 -23.380 -9.689 1.00 . A A . 72 PHE CG 1 1 17 3896 1 1 23 HIS H H -8.153 -24.921 -7.114 1.00 . A A . 72 PHE H 1 1 17 3897 1 1 23 HIS HA H -9.495 -25.826 -9.554 1.00 . A A . 72 PHE HA 1 1 17 3898 1 1 23 HIS HB3 H -7.984 -23.362 -8.748 1.00 . A A . 72 PHE HB2 1 1 17 3899 1 1 23 HIS HD1 H -10.367 -23.460 -7.602 1.00 . A A . 72 PHE HD1 1 1 17 3900 1 1 23 HIS HD2 H -9.758 -23.183 -11.814 1.00 . A A . 72 PHE HD2 1 1 17 3901 1 1 23 HIS HE1 H -12.669 -22.632 -7.889 1.00 . A A . 72 PHE HE1 1 1 17 3902 1 1 23 HIS N N -8.501 -25.611 -7.724 1.00 . A A . 72 PHE N 1 1 17 3903 1 1 23 HIS O O -7.739 -26.856 -10.922 1.00 . A A . 72 PHE O 1 1 17 3904 1 1 24 PHE C C -5.393 -28.257 -10.226 1.00 . A A . 73 ARG C 1 1 17 3905 1 1 24 PHE CA C -5.120 -26.757 -10.185 1.00 . A A . 73 ARG CA 1 1 17 3906 1 1 24 PHE CB C -3.808 -26.478 -9.430 1.00 . A A . 73 ARG CB 1 1 17 3907 1 1 24 PHE CG C -2.572 -27.161 -10.080 1.00 . A A . 73 ARG CG 1 1 17 3908 1 1 24 PHE CZ C -2.954 -27.231 -13.797 1.00 . A A . 73 ARG CZ 1 1 17 3909 1 1 24 PHE H H -6.094 -25.493 -8.702 1.00 . A A . 73 ARG H 1 1 17 3910 1 1 24 PHE HA H -5.055 -26.392 -11.199 1.00 . A A . 73 ARG HA 1 1 17 3911 1 1 24 PHE HB3 H -3.631 -25.413 -9.421 1.00 . A A . 73 ARG HB2 1 1 17 3912 1 1 24 PHE HD2 H -2.554 -25.603 -11.611 1.00 . A A . 73 ARG HD2 1 1 17 3913 1 1 24 PHE N N -6.249 -26.049 -9.494 1.00 . A A . 73 ARG N 1 1 17 3914 1 1 24 PHE O O -5.113 -28.893 -11.224 1.00 . A A . 73 ARG O 1 1 17 3915 1 1 25 ARG C C -7.508 -30.517 -9.924 1.00 . A A . 74 ILE C 1 1 17 3916 1 1 25 ARG CA C -6.212 -30.249 -9.140 1.00 . A A . 74 ILE CA 1 1 17 3917 1 1 25 ARG CB C -6.331 -30.685 -7.660 1.00 . A A . 74 ILE CB 1 1 17 3918 1 1 25 ARG H H -6.115 -28.254 -8.358 1.00 . A A . 74 ILE H 1 1 17 3919 1 1 25 ARG HA H -5.406 -30.772 -9.634 1.00 . A A . 74 ILE HA 1 1 17 3920 1 1 25 ARG N N -5.918 -28.791 -9.155 1.00 . A A . 74 ILE N 1 1 17 3921 1 1 25 ARG O O -7.574 -31.461 -10.688 1.00 . A A . 74 ILE O 1 1 17 3922 1 1 26 ILE C C -10.862 -30.468 -9.510 1.00 . A A . 75 GLY C 1 1 17 3923 1 1 26 ILE CA C -9.803 -29.862 -10.433 1.00 . A A . 75 GLY CA 1 1 17 3924 1 1 26 ILE H H -8.389 -28.936 -9.081 1.00 . A A . 75 GLY H 1 1 17 3925 1 1 26 ILE N N -8.499 -29.682 -9.713 1.00 . A A . 75 GLY N 1 1 17 3926 1 1 26 ILE O O -11.561 -31.403 -9.843 1.00 . A A . 75 GLY O 1 1 17 3927 1 1 27 GLY N N -11.020 -29.965 -8.325 1.00 . A A . 76 NH2 N 1 1 18 3928 1 1 1 ACE C C 5.332 3.366 6.153 1.00 . A A . 50 ACE C 1 1 18 3929 1 1 1 ACE CH3 C 6.677 3.727 6.762 1.00 . A A . 50 ACE CH3 1 1 18 3930 1 1 1 ACE O O 4.812 2.295 6.396 1.00 . A A . 50 ACE O 1 1 18 3931 1 1 2 TYR C C 4.462 -0.532 3.400 1.00 . A A . 51 GLY C 1 1 18 3932 1 1 2 TYR CA C 4.342 0.834 2.749 1.00 . A A . 51 GLY CA 1 1 18 3933 1 1 2 TYR H H 4.253 1.630 4.768 1.00 . A A . 51 GLY H 1 1 18 3934 1 1 2 TYR N N 4.095 1.847 3.821 1.00 . A A . 51 GLY N 1 1 18 3935 1 1 2 TYR O O 5.272 -1.348 3.015 1.00 . A A . 51 GLY O 1 1 18 3936 1 1 3 GLY C C 2.224 -2.650 5.160 1.00 . A A . 52 ASP C 1 1 18 3937 1 1 3 GLY CA C 3.624 -2.027 5.139 1.00 . A A . 52 ASP CA 1 1 18 3938 1 1 3 GLY H H 3.003 -0.025 4.645 1.00 . A A . 52 ASP H 1 1 18 3939 1 1 3 GLY N N 3.632 -0.733 4.387 1.00 . A A . 52 ASP N 1 1 18 3940 1 1 3 GLY O O 1.909 -3.394 6.065 1.00 . A A . 52 ASP O 1 1 18 3941 1 1 4 ASP C C -0.048 -4.250 3.452 1.00 . A A . 53 THR C 1 1 18 3942 1 1 4 ASP CA C 0.029 -2.933 4.164 1.00 . A A . 53 THR CA 1 1 18 3943 1 1 4 ASP CB C -0.924 -1.864 3.524 1.00 . A A . 53 THR CB 1 1 18 3944 1 1 4 ASP H H 1.706 -1.746 3.472 1.00 . A A . 53 THR H 1 1 18 3945 1 1 4 ASP HA H -0.231 -3.199 5.141 1.00 . A A . 53 THR HA 1 1 18 3946 1 1 4 ASP N N 1.410 -2.348 4.182 1.00 . A A . 53 THR N 1 1 18 3947 1 1 4 ASP O O -0.796 -5.160 3.772 1.00 . A A . 53 THR O 1 1 18 3948 1 1 5 THR C C 1.134 -6.799 2.465 1.00 . A A . 54 TRP C 1 1 18 3949 1 1 5 THR CA C 0.859 -5.529 1.659 1.00 . A A . 54 TRP CA 1 1 18 3950 1 1 5 THR CB C 1.931 -5.317 0.596 1.00 . A A . 54 TRP CB 1 1 18 3951 1 1 5 THR H H 1.348 -3.517 2.357 1.00 . A A . 54 TRP H 1 1 18 3952 1 1 5 THR HA H -0.124 -5.605 1.238 1.00 . A A . 54 TRP HA 1 1 18 3953 1 1 5 THR N N 0.794 -4.307 2.486 1.00 . A A . 54 TRP N 1 1 18 3954 1 1 5 THR O O 0.829 -7.895 2.030 1.00 . A A . 54 TRP O 1 1 18 3955 1 1 6 TRP C C 0.651 -8.435 4.888 1.00 . A A . 55 ALA C 1 1 18 3956 1 1 6 TRP CA C 1.995 -7.814 4.475 1.00 . A A . 55 ALA CA 1 1 18 3957 1 1 6 TRP CB C 2.787 -7.362 5.710 1.00 . A A . 55 ALA CB 1 1 18 3958 1 1 6 TRP H H 1.919 -5.711 3.930 1.00 . A A . 55 ALA H 1 1 18 3959 1 1 6 TRP HA H 2.532 -8.542 3.882 1.00 . A A . 55 ALA HA 1 1 18 3960 1 1 6 TRP HB2 H 2.216 -6.649 6.290 1.00 . A A . 55 ALA HB1 1 1 18 3961 1 1 6 TRP HB3 H 3.005 -8.218 6.333 1.00 . A A . 55 ALA HB2 1 1 18 3962 1 1 6 TRP N N 1.700 -6.619 3.627 1.00 . A A . 55 ALA N 1 1 18 3963 1 1 6 TRP O O 0.516 -9.634 5.048 1.00 . A A . 55 ALA O 1 1 18 3964 1 1 7 ALA C C -2.224 -8.701 4.197 1.00 . A A . 56 GLY C 1 1 18 3965 1 1 7 ALA CA C -1.676 -8.020 5.429 1.00 . A A . 56 GLY CA 1 1 18 3966 1 1 7 ALA H H -0.149 -6.619 4.856 1.00 . A A . 56 GLY H 1 1 18 3967 1 1 7 ALA N N -0.317 -7.569 5.030 1.00 . A A . 56 GLY N 1 1 18 3968 1 1 7 ALA O O -2.740 -9.797 4.258 1.00 . A A . 56 GLY O 1 1 18 3969 1 1 8 GLY C C -2.078 -10.017 1.585 1.00 . A A . 57 VAL C 1 1 18 3970 1 1 8 GLY CA C -2.570 -8.569 1.801 1.00 . A A . 57 VAL CA 1 1 18 3971 1 1 8 GLY H H -1.645 -7.144 3.101 1.00 . A A . 57 VAL H 1 1 18 3972 1 1 8 GLY N N -2.080 -8.024 3.092 1.00 . A A . 57 VAL N 1 1 18 3973 1 1 8 GLY O O -2.858 -10.894 1.252 1.00 . A A . 57 VAL O 1 1 18 3974 1 1 9 VAL C C -0.959 -12.650 2.514 1.00 . A A . 58 GLU C 1 1 18 3975 1 1 9 VAL CA C -0.303 -11.640 1.577 1.00 . A A . 58 GLU CA 1 1 18 3976 1 1 9 VAL CB C 1.222 -11.726 1.813 1.00 . A A . 58 GLU CB 1 1 18 3977 1 1 9 VAL H H -0.192 -9.517 2.048 1.00 . A A . 58 GLU H 1 1 18 3978 1 1 9 VAL HA H -0.572 -11.922 0.569 1.00 . A A . 58 GLU HA 1 1 18 3979 1 1 9 VAL N N -0.804 -10.244 1.779 1.00 . A A . 58 GLU N 1 1 18 3980 1 1 9 VAL O O -1.006 -13.828 2.218 1.00 . A A . 58 GLU O 1 1 18 3981 1 1 10 GLU C C -3.428 -13.608 3.965 1.00 . A A . 59 ALA C 1 1 18 3982 1 1 10 GLU CA C -2.110 -13.145 4.561 1.00 . A A . 59 ALA CA 1 1 18 3983 1 1 10 GLU CB C -2.332 -12.433 5.907 1.00 . A A . 59 ALA CB 1 1 18 3984 1 1 10 GLU H H -1.450 -11.218 3.805 1.00 . A A . 59 ALA H 1 1 18 3985 1 1 10 GLU HA H -1.476 -14.019 4.644 1.00 . A A . 59 ALA HA 1 1 18 3986 1 1 10 GLU HB2 H -1.390 -12.087 6.310 1.00 . A A . 59 ALA HB1 1 1 18 3987 1 1 10 GLU HB3 H -2.983 -11.578 5.780 1.00 . A A . 59 ALA HB2 1 1 18 3988 1 1 10 GLU N N -1.470 -12.185 3.615 1.00 . A A . 59 ALA N 1 1 18 3989 1 1 10 GLU O O -3.992 -14.607 4.356 1.00 . A A . 59 ALA O 1 1 18 3990 1 1 11 ALA C C -4.810 -14.081 1.175 1.00 . A A . 60 ILE C 1 1 18 3991 1 1 11 ALA CA C -5.140 -13.139 2.323 1.00 . A A . 60 ILE CA 1 1 18 3992 1 1 11 ALA CB C -5.738 -11.809 1.796 1.00 . A A . 60 ILE CB 1 1 18 3993 1 1 11 ALA H H -3.352 -12.048 2.747 1.00 . A A . 60 ILE H 1 1 18 3994 1 1 11 ALA HA H -5.806 -13.651 3.004 1.00 . A A . 60 ILE HA 1 1 18 3995 1 1 11 ALA N N -3.869 -12.840 3.013 1.00 . A A . 60 ILE N 1 1 18 3996 1 1 11 ALA O O -5.304 -15.187 1.117 1.00 . A A . 60 ILE O 1 1 18 3997 1 1 12 ILE C C -3.065 -15.813 -0.390 1.00 . A A . 61 ILE C 1 1 18 3998 1 1 12 ILE CA C -3.580 -14.460 -0.871 1.00 . A A . 61 ILE CA 1 1 18 3999 1 1 12 ILE CB C -2.537 -13.645 -1.698 1.00 . A A . 61 ILE CB 1 1 18 4000 1 1 12 ILE CD1 C -0.420 -14.840 -1.496 1.00 . A A . 61 ILE CD1 1 1 18 4001 1 1 12 ILE CG1 C -1.184 -13.606 -1.051 1.00 . A A . 61 ILE CG1 1 1 18 4002 1 1 12 ILE CG2 C -3.056 -12.213 -1.973 1.00 . A A . 61 ILE CG2 1 1 18 4003 1 1 12 ILE H H -3.552 -12.736 0.401 1.00 . A A . 61 ILE H 1 1 18 4004 1 1 12 ILE HA H -4.408 -14.631 -1.518 1.00 . A A . 61 ILE HA 1 1 18 4005 1 1 12 ILE HB H -2.402 -14.106 -2.654 1.00 . A A . 61 ILE HB 1 1 18 4006 1 1 12 ILE HD11 H -0.926 -15.756 -1.239 1.00 . A A . 61 ILE HD11 1 1 18 4007 1 1 12 ILE HD12 H -0.319 -14.809 -2.570 1.00 . A A . 61 ILE HD12 1 1 18 4008 1 1 12 ILE HD13 H 0.544 -14.833 -1.024 1.00 . A A . 61 ILE HD13 1 1 18 4009 1 1 12 ILE HG13 H -0.647 -12.719 -1.351 1.00 . A A . 61 ILE HG12 1 1 18 4010 1 1 12 ILE HG21 H -3.990 -12.251 -2.515 1.00 . A A . 61 ILE HG21 1 1 18 4011 1 1 12 ILE HG22 H -3.212 -11.656 -1.063 1.00 . A A . 61 ILE HG22 1 1 18 4012 1 1 12 ILE HG23 H -2.340 -11.673 -2.576 1.00 . A A . 61 ILE HG23 1 1 18 4013 1 1 12 ILE N N -3.957 -13.623 0.295 1.00 . A A . 61 ILE N 1 1 18 4014 1 1 12 ILE O O -3.371 -16.817 -1.009 1.00 . A A . 61 ILE O 1 1 18 4015 1 1 13 ILE C C -2.894 -18.119 1.507 1.00 . A A . 62 ARG C 1 1 18 4016 1 1 13 ILE CA C -1.787 -17.120 1.206 1.00 . A A . 62 ARG CA 1 1 18 4017 1 1 13 ILE CB C -0.969 -16.864 2.463 1.00 . A A . 62 ARG CB 1 1 18 4018 1 1 13 ILE H H -2.101 -14.996 1.187 1.00 . A A . 62 ARG H 1 1 18 4019 1 1 13 ILE HA H -1.100 -17.538 0.492 1.00 . A A . 62 ARG HA 1 1 18 4020 1 1 13 ILE HD12 H 0.740 -15.394 3.869 1.00 . A A . 62 ARG HD2 1 1 18 4021 1 1 13 ILE HD13 H 1.304 -17.077 3.839 1.00 . A A . 62 ARG HD3 1 1 18 4022 1 1 13 ILE N N -2.319 -15.824 0.693 1.00 . A A . 62 ARG N 1 1 18 4023 1 1 13 ILE O O -2.646 -19.305 1.498 1.00 . A A . 62 ARG O 1 1 18 4024 1 1 14 ARG C C -6.417 -18.395 1.165 1.00 . A A . 63 ILE C 1 1 18 4025 1 1 14 ARG CA C -5.190 -18.605 2.067 1.00 . A A . 63 ILE CA 1 1 18 4026 1 1 14 ARG CB C -5.492 -18.416 3.562 1.00 . A A . 63 ILE CB 1 1 18 4027 1 1 14 ARG H H -4.270 -16.684 1.776 1.00 . A A . 63 ILE H 1 1 18 4028 1 1 14 ARG HA H -4.852 -19.619 1.918 1.00 . A A . 63 ILE HA 1 1 18 4029 1 1 14 ARG N N -4.085 -17.648 1.767 1.00 . A A . 63 ILE N 1 1 18 4030 1 1 14 ARG O O -7.381 -19.130 1.213 1.00 . A A . 63 ILE O 1 1 18 4031 1 1 15 ILE C C -7.204 -17.909 -1.808 1.00 . A A . 64 LEU C 1 1 18 4032 1 1 15 ILE CA C -7.443 -17.051 -0.577 1.00 . A A . 64 LEU CA 1 1 18 4033 1 1 15 ILE CB C -7.356 -15.516 -0.849 1.00 . A A . 64 LEU CB 1 1 18 4034 1 1 15 ILE CD1 C -9.788 -15.020 -1.362 1.00 . A A . 64 LEU CD1 1 1 18 4035 1 1 15 ILE H H -5.526 -16.837 0.365 1.00 . A A . 64 LEU H 1 1 18 4036 1 1 15 ILE HA H -8.388 -17.335 -0.141 1.00 . A A . 64 LEU HA 1 1 18 4037 1 1 15 ILE HD11 H -10.081 -16.011 -1.048 1.00 . A A . 64 LEU HD11 1 1 18 4038 1 1 15 ILE HD12 H -9.857 -14.352 -0.516 1.00 . A A . 64 LEU HD12 1 1 18 4039 1 1 15 ILE HD13 H -10.481 -14.684 -2.121 1.00 . A A . 64 LEU HD13 1 1 18 4040 1 1 15 ILE N N -6.338 -17.384 0.356 1.00 . A A . 64 LEU N 1 1 18 4041 1 1 15 ILE O O -7.575 -19.069 -1.870 1.00 . A A . 64 LEU O 1 1 18 4042 1 1 16 LEU C C -5.316 -19.250 -3.735 1.00 . A A . 65 GLN C 1 1 18 4043 1 1 16 LEU CA C -6.299 -18.121 -3.997 1.00 . A A . 65 GLN CA 1 1 18 4044 1 1 16 LEU CB C -5.778 -17.155 -5.105 1.00 . A A . 65 GLN CB 1 1 18 4045 1 1 16 LEU CG C -4.346 -16.616 -4.814 1.00 . A A . 65 GLN CG 1 1 18 4046 1 1 16 LEU H H -6.245 -16.407 -2.703 1.00 . A A . 65 GLN H 1 1 18 4047 1 1 16 LEU HA H -7.226 -18.598 -4.271 1.00 . A A . 65 GLN HA 1 1 18 4048 1 1 16 LEU HB3 H -5.784 -17.686 -6.044 1.00 . A A . 65 GLN HB2 1 1 18 4049 1 1 16 LEU N N -6.554 -17.332 -2.778 1.00 . A A . 65 GLN N 1 1 18 4050 1 1 16 LEU O O -4.954 -19.936 -4.670 1.00 . A A . 65 GLN O 1 1 18 4051 1 1 17 GLN C C -4.772 -21.851 -2.200 1.00 . A A . 66 GLN C 1 1 18 4052 1 1 17 GLN CA C -3.929 -20.590 -2.335 1.00 . A A . 66 GLN CA 1 1 18 4053 1 1 17 GLN CB C -3.119 -20.407 -1.067 1.00 . A A . 66 GLN CB 1 1 18 4054 1 1 17 GLN CD C -1.136 -21.271 0.152 1.00 . A A . 66 GLN CD 1 1 18 4055 1 1 17 GLN CG C -2.007 -21.478 -1.068 1.00 . A A . 66 GLN CG 1 1 18 4056 1 1 17 GLN H H -5.177 -18.925 -1.746 1.00 . A A . 66 GLN H 1 1 18 4057 1 1 17 GLN HA H -3.284 -20.680 -3.196 1.00 . A A . 66 GLN HA 1 1 18 4058 1 1 17 GLN HB3 H -2.708 -19.410 -0.998 1.00 . A A . 66 GLN HB2 1 1 18 4059 1 1 17 GLN HE21 H -0.335 -19.602 -0.558 1.00 . A A . 66 GLN HE21 1 1 18 4060 1 1 17 GLN HE22 H 0.202 -20.102 0.976 1.00 . A A . 66 GLN HE22 1 1 18 4061 1 1 17 GLN HG3 H -2.427 -22.472 -1.015 1.00 . A A . 66 GLN HG2 1 1 18 4062 1 1 17 GLN N N -4.887 -19.465 -2.518 1.00 . A A . 66 GLN N 1 1 18 4063 1 1 17 GLN NE2 N -0.357 -20.235 0.186 1.00 . A A . 66 GLN NE2 1 1 18 4064 1 1 17 GLN O O -4.384 -22.922 -2.627 1.00 . A A . 66 GLN O 1 1 18 4065 1 1 17 GLN OE1 O -1.148 -22.044 1.086 1.00 . A A . 66 GLN OE1 1 1 18 4066 1 1 18 GLN C C -7.467 -23.105 -2.740 1.00 . A A . 67 LEU C 1 1 18 4067 1 1 18 GLN CA C -6.847 -22.806 -1.412 1.00 . A A . 67 LEU CA 1 1 18 4068 1 1 18 GLN CB C -7.912 -22.420 -0.385 1.00 . A A . 67 LEU CB 1 1 18 4069 1 1 18 GLN CG C -7.254 -22.171 0.993 1.00 . A A . 67 LEU CG 1 1 18 4070 1 1 18 GLN H H -6.199 -20.751 -1.348 1.00 . A A . 67 LEU H 1 1 18 4071 1 1 18 GLN HA H -6.284 -23.670 -1.104 1.00 . A A . 67 LEU HA 1 1 18 4072 1 1 18 GLN HB3 H -8.416 -21.517 -0.709 1.00 . A A . 67 LEU HB2 1 1 18 4073 1 1 18 GLN N N -5.927 -21.657 -1.621 1.00 . A A . 67 LEU N 1 1 18 4074 1 1 18 GLN O O -7.687 -24.239 -3.112 1.00 . A A . 67 LEU O 1 1 18 4075 1 1 19 LEU C C -7.276 -22.726 -5.678 1.00 . A A . 68 LEU C 1 1 18 4076 1 1 19 LEU CA C -8.334 -22.216 -4.766 1.00 . A A . 68 LEU CA 1 1 18 4077 1 1 19 LEU CB C -8.867 -20.869 -5.254 1.00 . A A . 68 LEU CB 1 1 18 4078 1 1 19 LEU CD1 C -10.465 -18.989 -4.760 1.00 . A A . 68 LEU CD1 1 1 18 4079 1 1 19 LEU CD2 C -11.321 -21.345 -4.862 1.00 . A A . 68 LEU CD2 1 1 18 4080 1 1 19 LEU CG C -10.119 -20.458 -4.437 1.00 . A A . 68 LEU CG 1 1 18 4081 1 1 19 LEU H H -7.522 -21.168 -3.074 1.00 . A A . 68 LEU H 1 1 18 4082 1 1 19 LEU HA H -9.044 -23.017 -4.707 1.00 . A A . 68 LEU HA 1 1 18 4083 1 1 19 LEU HB3 H -8.088 -20.134 -5.139 1.00 . A A . 68 LEU HB2 1 1 18 4084 1 1 19 LEU HD11 H -10.665 -18.865 -5.815 1.00 . A A . 68 LEU HD11 1 1 18 4085 1 1 19 LEU HD12 H -11.344 -18.687 -4.206 1.00 . A A . 68 LEU HD12 1 1 18 4086 1 1 19 LEU HD13 H -9.649 -18.339 -4.481 1.00 . A A . 68 LEU HD13 1 1 18 4087 1 1 19 LEU HD21 H -11.534 -21.228 -5.914 1.00 . A A . 68 LEU HD21 1 1 18 4088 1 1 19 LEU HD22 H -11.127 -22.390 -4.669 1.00 . A A . 68 LEU HD22 1 1 18 4089 1 1 19 LEU HD23 H -12.205 -21.067 -4.307 1.00 . A A . 68 LEU HD23 1 1 18 4090 1 1 19 LEU HG H -9.938 -20.565 -3.376 1.00 . A A . 68 LEU HG 1 1 18 4091 1 1 19 LEU N N -7.728 -22.049 -3.437 1.00 . A A . 68 LEU N 1 1 18 4092 1 1 19 LEU O O -7.548 -23.564 -6.499 1.00 . A A . 68 LEU O 1 1 18 4093 1 1 20 LEU C C -4.997 -24.249 -6.246 1.00 . A A . 69 PHE C 1 1 18 4094 1 1 20 LEU CA C -5.039 -22.768 -6.451 1.00 . A A . 69 PHE CA 1 1 18 4095 1 1 20 LEU CB C -3.700 -22.091 -6.084 1.00 . A A . 69 PHE CB 1 1 18 4096 1 1 20 LEU CD1 C -2.229 -23.099 -7.891 1.00 . A A . 69 PHE CD1 1 1 18 4097 1 1 20 LEU CD2 C -1.666 -23.498 -5.612 1.00 . A A . 69 PHE CD2 1 1 18 4098 1 1 20 LEU CG C -2.498 -22.920 -6.552 1.00 . A A . 69 PHE CG 1 1 18 4099 1 1 20 LEU H H -5.836 -21.619 -4.861 1.00 . A A . 69 PHE H 1 1 18 4100 1 1 20 LEU HA H -5.377 -22.601 -7.463 1.00 . A A . 69 PHE HA 1 1 18 4101 1 1 20 LEU HB3 H -3.649 -21.117 -6.551 1.00 . A A . 69 PHE HB2 1 1 18 4102 1 1 20 LEU N N -6.075 -22.264 -5.543 1.00 . A A . 69 PHE N 1 1 18 4103 1 1 20 LEU O O -4.933 -24.984 -7.205 1.00 . A A . 69 PHE O 1 1 18 4104 1 1 21 PHE C C -6.344 -26.858 -5.130 1.00 . A A . 70 ILE C 1 1 18 4105 1 1 21 PHE CA C -5.012 -26.158 -4.912 1.00 . A A . 70 ILE CA 1 1 18 4106 1 1 21 PHE CB C -4.408 -26.499 -3.536 1.00 . A A . 70 ILE CB 1 1 18 4107 1 1 21 PHE CD1 C -6.339 -26.878 -1.999 1.00 . A A . 70 ILE CD1 1 1 18 4108 1 1 21 PHE H H -5.203 -24.087 -4.262 1.00 . A A . 70 ILE H 1 1 18 4109 1 1 21 PHE HA H -4.356 -26.458 -5.691 1.00 . A A . 70 ILE HA 1 1 18 4110 1 1 21 PHE N N -5.081 -24.688 -5.026 1.00 . A A . 70 ILE N 1 1 18 4111 1 1 21 PHE O O -6.395 -28.032 -5.435 1.00 . A A . 70 ILE O 1 1 18 4112 1 1 22 ILE C C -9.173 -26.588 -6.630 1.00 . A A . 71 HIS C 1 1 18 4113 1 1 22 ILE CA C -8.753 -26.719 -5.167 1.00 . A A . 71 HIS CA 1 1 18 4114 1 1 22 ILE CB C -9.737 -25.983 -4.267 1.00 . A A . 71 HIS CB 1 1 18 4115 1 1 22 ILE H H -7.287 -25.170 -4.725 1.00 . A A . 71 HIS H 1 1 18 4116 1 1 22 ILE HA H -8.711 -27.768 -4.915 1.00 . A A . 71 HIS HA 1 1 18 4117 1 1 22 ILE HD11 H -10.899 -27.938 -2.650 1.00 . A A . 71 HIS HD1 1 1 18 4118 1 1 22 ILE HD12 H -12.095 -25.822 -6.009 1.00 . A A . 71 HIS HD2 1 1 18 4119 1 1 22 ILE N N -7.399 -26.116 -4.973 1.00 . A A . 71 HIS N 1 1 18 4120 1 1 22 ILE O O -10.112 -27.216 -7.074 1.00 . A A . 71 HIS O 1 1 18 4121 1 1 23 HIS C C -7.653 -26.034 -9.697 1.00 . A A . 72 PHE C 1 1 18 4122 1 1 23 HIS CA C -8.748 -25.526 -8.779 1.00 . A A . 72 PHE CA 1 1 18 4123 1 1 23 HIS CB C -8.954 -23.995 -9.017 1.00 . A A . 72 PHE CB 1 1 18 4124 1 1 23 HIS CD2 C -10.651 -23.302 -10.781 1.00 . A A . 72 PHE CD2 1 1 18 4125 1 1 23 HIS CE1 C -12.726 -23.580 -8.984 1.00 . A A . 72 PHE CE1 1 1 18 4126 1 1 23 HIS CG C -10.384 -23.706 -9.488 1.00 . A A . 72 PHE CG 1 1 18 4127 1 1 23 HIS H H -7.712 -25.302 -6.879 1.00 . A A . 72 PHE H 1 1 18 4128 1 1 23 HIS HA H -9.642 -26.061 -9.042 1.00 . A A . 72 PHE HA 1 1 18 4129 1 1 23 HIS HB3 H -8.866 -23.445 -8.104 1.00 . A A . 72 PHE HB2 1 1 18 4130 1 1 23 HIS HD1 H -11.228 -24.163 -7.583 1.00 . A A . 72 PHE HD1 1 1 18 4131 1 1 23 HIS HD2 H -9.845 -23.192 -11.491 1.00 . A A . 72 PHE HD2 1 1 18 4132 1 1 23 HIS HE1 H -13.539 -23.687 -8.281 1.00 . A A . 72 PHE HE1 1 1 18 4133 1 1 23 HIS N N -8.454 -25.764 -7.333 1.00 . A A . 72 PHE N 1 1 18 4134 1 1 23 HIS O O -7.932 -26.752 -10.636 1.00 . A A . 72 PHE O 1 1 18 4135 1 1 24 PHE C C -5.221 -27.672 -10.317 1.00 . A A . 73 ARG C 1 1 18 4136 1 1 24 PHE CA C -5.329 -26.154 -10.313 1.00 . A A . 73 ARG CA 1 1 18 4137 1 1 24 PHE CB C -3.987 -25.511 -9.860 1.00 . A A . 73 ARG CB 1 1 18 4138 1 1 24 PHE CG C -3.427 -24.638 -10.981 1.00 . A A . 73 ARG CG 1 1 18 4139 1 1 24 PHE CZ C -0.744 -26.333 -12.629 1.00 . A A . 73 ARG CZ 1 1 18 4140 1 1 24 PHE H H -6.246 -25.125 -8.615 1.00 . A A . 73 ARG H 1 1 18 4141 1 1 24 PHE HA H -5.575 -25.851 -11.320 1.00 . A A . 73 ARG HA 1 1 18 4142 1 1 24 PHE HB3 H -4.165 -24.772 -9.109 1.00 . A A . 73 ARG HB2 1 1 18 4143 1 1 24 PHE HD2 H -3.728 -26.143 -12.529 1.00 . A A . 73 ARG HD2 1 1 18 4144 1 1 24 PHE N N -6.430 -25.677 -9.411 1.00 . A A . 73 ARG N 1 1 18 4145 1 1 24 PHE O O -4.710 -28.254 -11.253 1.00 . A A . 73 ARG O 1 1 18 4146 1 1 25 ARG C C -6.915 -30.358 -9.858 1.00 . A A . 74 ILE C 1 1 18 4147 1 1 25 ARG CA C -5.649 -29.773 -9.192 1.00 . A A . 74 ILE CA 1 1 18 4148 1 1 25 ARG CB C -5.537 -30.138 -7.689 1.00 . A A . 74 ILE CB 1 1 18 4149 1 1 25 ARG H H -6.089 -27.778 -8.531 1.00 . A A . 74 ILE H 1 1 18 4150 1 1 25 ARG HA H -4.788 -30.132 -9.738 1.00 . A A . 74 ILE HA 1 1 18 4151 1 1 25 ARG N N -5.702 -28.285 -9.270 1.00 . A A . 74 ILE N 1 1 18 4152 1 1 25 ARG O O -7.028 -31.549 -10.073 1.00 . A A . 74 ILE O 1 1 18 4153 1 1 26 ILE C C -10.301 -29.173 -10.241 1.00 . A A . 75 GLY C 1 1 18 4154 1 1 26 ILE CA C -9.120 -29.933 -10.826 1.00 . A A . 75 GLY CA 1 1 18 4155 1 1 26 ILE H H -7.688 -28.550 -9.975 1.00 . A A . 75 GLY H 1 1 18 4156 1 1 26 ILE N N -7.842 -29.497 -10.172 1.00 . A A . 75 GLY N 1 1 18 4157 1 1 26 ILE O O -11.236 -28.811 -10.922 1.00 . A A . 75 GLY O 1 1 18 4158 1 1 27 GLY N N -10.294 -28.909 -8.973 1.00 . A A . 76 NH2 N 1 1 19 4159 1 1 1 ACE C C 2.551 1.414 -1.259 1.00 . A A . 50 ACE C 1 1 19 4160 1 1 1 ACE CH3 C 2.323 2.821 -1.793 1.00 . A A . 50 ACE CH3 1 1 19 4161 1 1 1 ACE O O 1.743 0.896 -0.513 1.00 . A A . 50 ACE O 1 1 19 4162 1 1 2 TYR C C 4.666 -0.625 3.283 1.00 . A A . 51 GLY C 1 1 19 4163 1 1 2 TYR CA C 4.549 0.656 2.448 1.00 . A A . 51 GLY CA 1 1 19 4164 1 1 2 TYR H H 3.820 1.257 0.520 1.00 . A A . 51 GLY H 1 1 19 4165 1 1 2 TYR N N 4.198 0.493 0.998 1.00 . A A . 51 GLY N 1 1 19 4166 1 1 2 TYR O O 5.755 -1.097 3.526 1.00 . A A . 51 GLY O 1 1 19 4167 1 1 3 GLY C C 2.225 -3.083 4.735 1.00 . A A . 52 ASP C 1 1 19 4168 1 1 3 GLY CA C 3.585 -2.418 4.536 1.00 . A A . 52 ASP CA 1 1 19 4169 1 1 3 GLY H H 2.713 -0.722 3.452 1.00 . A A . 52 ASP H 1 1 19 4170 1 1 3 GLY N N 3.551 -1.160 3.702 1.00 . A A . 52 ASP N 1 1 19 4171 1 1 3 GLY O O 2.146 -4.201 5.206 1.00 . A A . 52 ASP O 1 1 19 4172 1 1 4 ASP C C -0.300 -4.256 3.765 1.00 . A A . 53 THR C 1 1 19 4173 1 1 4 ASP CA C -0.204 -2.969 4.519 1.00 . A A . 53 THR CA 1 1 19 4174 1 1 4 ASP CB C -1.160 -1.887 3.993 1.00 . A A . 53 THR CB 1 1 19 4175 1 1 4 ASP H H 1.208 -1.530 3.950 1.00 . A A . 53 THR H 1 1 19 4176 1 1 4 ASP HA H -0.348 -3.245 5.527 1.00 . A A . 53 THR HA 1 1 19 4177 1 1 4 ASP N N 1.170 -2.410 4.364 1.00 . A A . 53 THR N 1 1 19 4178 1 1 4 ASP O O -1.022 -5.188 4.070 1.00 . A A . 53 THR O 1 1 19 4179 1 1 5 THR C C 0.995 -6.649 2.581 1.00 . A A . 54 TRP C 1 1 19 4180 1 1 5 THR CA C 0.615 -5.358 1.856 1.00 . A A . 54 TRP CA 1 1 19 4181 1 1 5 THR CB C 1.643 -5.006 0.778 1.00 . A A . 54 TRP CB 1 1 19 4182 1 1 5 THR H H 1.023 -3.394 2.659 1.00 . A A . 54 TRP H 1 1 19 4183 1 1 5 THR HA H -0.382 -5.428 1.487 1.00 . A A . 54 TRP HA 1 1 19 4184 1 1 5 THR N N 0.510 -4.218 2.765 1.00 . A A . 54 TRP N 1 1 19 4185 1 1 5 THR O O 0.723 -7.733 2.102 1.00 . A A . 54 TRP O 1 1 19 4186 1 1 6 TRP C C 0.715 -8.416 4.941 1.00 . A A . 55 ALA C 1 1 19 4187 1 1 6 TRP CA C 2.008 -7.731 4.481 1.00 . A A . 55 ALA CA 1 1 19 4188 1 1 6 TRP CB C 2.862 -7.317 5.686 1.00 . A A . 55 ALA CB 1 1 19 4189 1 1 6 TRP H H 1.813 -5.609 4.073 1.00 . A A . 55 ALA H 1 1 19 4190 1 1 6 TRP HA H 2.526 -8.405 3.812 1.00 . A A . 55 ALA HA 1 1 19 4191 1 1 6 TRP HB2 H 2.305 -6.656 6.336 1.00 . A A . 55 ALA HB1 1 1 19 4192 1 1 6 TRP HB3 H 3.149 -8.194 6.249 1.00 . A A . 55 ALA HB2 1 1 19 4193 1 1 6 TRP N N 1.615 -6.506 3.722 1.00 . A A . 55 ALA N 1 1 19 4194 1 1 6 TRP O O 0.633 -9.625 5.048 1.00 . A A . 55 ALA O 1 1 19 4195 1 1 7 ALA C C -2.162 -8.761 4.401 1.00 . A A . 56 GLY C 1 1 19 4196 1 1 7 ALA CA C -1.587 -8.118 5.641 1.00 . A A . 56 GLY CA 1 1 19 4197 1 1 7 ALA H H -0.144 -6.632 5.055 1.00 . A A . 56 GLY H 1 1 19 4198 1 1 7 ALA N N -0.271 -7.594 5.187 1.00 . A A . 56 GLY N 1 1 19 4199 1 1 7 ALA O O -2.582 -9.898 4.425 1.00 . A A . 56 GLY O 1 1 19 4200 1 1 8 GLY C C -2.143 -9.908 1.732 1.00 . A A . 57 VAL C 1 1 19 4201 1 1 8 GLY CA C -2.676 -8.496 2.040 1.00 . A A . 57 VAL CA 1 1 19 4202 1 1 8 GLY H H -1.789 -7.095 3.378 1.00 . A A . 57 VAL H 1 1 19 4203 1 1 8 GLY N N -2.150 -8.005 3.336 1.00 . A A . 57 VAL N 1 1 19 4204 1 1 8 GLY O O -2.906 -10.815 1.452 1.00 . A A . 57 VAL O 1 1 19 4205 1 1 9 VAL C C -0.806 -12.521 2.400 1.00 . A A . 58 GLU C 1 1 19 4206 1 1 9 VAL CA C -0.255 -11.415 1.506 1.00 . A A . 58 GLU CA 1 1 19 4207 1 1 9 VAL CB C 1.286 -11.319 1.683 1.00 . A A . 58 GLU CB 1 1 19 4208 1 1 9 VAL H H -0.264 -9.311 2.037 1.00 . A A . 58 GLU H 1 1 19 4209 1 1 9 VAL HA H -0.554 -11.690 0.499 1.00 . A A . 58 GLU HA 1 1 19 4210 1 1 9 VAL N N -0.849 -10.070 1.796 1.00 . A A . 58 GLU N 1 1 19 4211 1 1 9 VAL O O -0.826 -13.672 2.009 1.00 . A A . 58 GLU O 1 1 19 4212 1 1 10 GLU C C -3.139 -13.719 3.934 1.00 . A A . 59 ALA C 1 1 19 4213 1 1 10 GLU CA C -1.800 -13.217 4.477 1.00 . A A . 59 ALA CA 1 1 19 4214 1 1 10 GLU CB C -1.980 -12.611 5.879 1.00 . A A . 59 ALA CB 1 1 19 4215 1 1 10 GLU H H -1.255 -11.208 3.827 1.00 . A A . 59 ALA H 1 1 19 4216 1 1 10 GLU HA H -1.112 -14.052 4.501 1.00 . A A . 59 ALA HA 1 1 19 4217 1 1 10 GLU HB2 H -1.034 -12.248 6.254 1.00 . A A . 59 ALA HB1 1 1 19 4218 1 1 10 GLU HB3 H -2.674 -11.782 5.846 1.00 . A A . 59 ALA HB2 1 1 19 4219 1 1 10 GLU N N -1.258 -12.160 3.567 1.00 . A A . 59 ALA N 1 1 19 4220 1 1 10 GLU O O -3.575 -14.819 4.210 1.00 . A A . 59 ALA O 1 1 19 4221 1 1 11 ALA C C -4.836 -14.013 1.292 1.00 . A A . 60 ILE C 1 1 19 4222 1 1 11 ALA CA C -5.062 -13.187 2.549 1.00 . A A . 60 ILE CA 1 1 19 4223 1 1 11 ALA CB C -5.782 -11.861 2.194 1.00 . A A . 60 ILE CB 1 1 19 4224 1 1 11 ALA H H -3.312 -12.006 2.975 1.00 . A A . 60 ILE H 1 1 19 4225 1 1 11 ALA HA H -5.629 -13.791 3.245 1.00 . A A . 60 ILE HA 1 1 19 4226 1 1 11 ALA N N -3.743 -12.869 3.158 1.00 . A A . 60 ILE N 1 1 19 4227 1 1 11 ALA O O -5.417 -15.065 1.113 1.00 . A A . 60 ILE O 1 1 19 4228 1 1 12 ILE C C -3.079 -15.580 -0.455 1.00 . A A . 61 ILE C 1 1 19 4229 1 1 12 ILE CA C -3.692 -14.235 -0.812 1.00 . A A . 61 ILE CA 1 1 19 4230 1 1 12 ILE CB C -2.773 -13.310 -1.676 1.00 . A A . 61 ILE CB 1 1 19 4231 1 1 12 ILE CD1 C -0.601 -14.439 -1.780 1.00 . A A . 61 ILE CD1 1 1 19 4232 1 1 12 ILE CG1 C -1.362 -13.267 -1.173 1.00 . A A . 61 ILE CG1 1 1 19 4233 1 1 12 ILE CG2 C -3.361 -11.877 -1.782 1.00 . A A . 61 ILE CG2 1 1 19 4234 1 1 12 ILE H H -3.516 -12.661 0.651 1.00 . A A . 61 ILE H 1 1 19 4235 1 1 12 ILE HA H -4.588 -14.446 -1.348 1.00 . A A . 61 ILE HA 1 1 19 4236 1 1 12 ILE HB H -2.709 -13.689 -2.670 1.00 . A A . 61 ILE HB 1 1 19 4237 1 1 12 ILE HD11 H -1.043 -15.390 -1.535 1.00 . A A . 61 ILE HD11 1 1 19 4238 1 1 12 ILE HD12 H -0.600 -14.340 -2.855 1.00 . A A . 61 ILE HD12 1 1 19 4239 1 1 12 ILE HD13 H 0.405 -14.421 -1.403 1.00 . A A . 61 ILE HD13 1 1 19 4240 1 1 12 ILE HG13 H -0.892 -12.340 -1.456 1.00 . A A . 61 ILE HG12 1 1 19 4241 1 1 12 ILE HG21 H -4.341 -11.901 -2.233 1.00 . A A . 61 ILE HG21 1 1 19 4242 1 1 12 ILE HG22 H -3.446 -11.399 -0.819 1.00 . A A . 61 ILE HG22 1 1 19 4243 1 1 12 ILE HG23 H -2.724 -11.265 -2.406 1.00 . A A . 61 ILE HG23 1 1 19 4244 1 1 12 ILE N N -3.976 -13.507 0.450 1.00 . A A . 61 ILE N 1 1 19 4245 1 1 12 ILE O O -3.346 -16.551 -1.136 1.00 . A A . 61 ILE O 1 1 19 4246 1 1 13 ILE C C -2.712 -18.001 1.227 1.00 . A A . 62 ARG C 1 1 19 4247 1 1 13 ILE CA C -1.662 -16.920 0.978 1.00 . A A . 62 ARG CA 1 1 19 4248 1 1 13 ILE CB C -0.820 -16.753 2.247 1.00 . A A . 62 ARG CB 1 1 19 4249 1 1 13 ILE H H -2.086 -14.806 1.110 1.00 . A A . 62 ARG H 1 1 19 4250 1 1 13 ILE HA H -0.998 -17.248 0.198 1.00 . A A . 62 ARG HA 1 1 19 4251 1 1 13 ILE HD12 H 1.469 -15.754 3.545 1.00 . A A . 62 ARG HD2 1 1 19 4252 1 1 13 ILE HD13 H 1.199 -17.501 3.684 1.00 . A A . 62 ARG HD3 1 1 19 4253 1 1 13 ILE N N -2.283 -15.619 0.588 1.00 . A A . 62 ARG N 1 1 19 4254 1 1 13 ILE O O -2.385 -19.167 1.163 1.00 . A A . 62 ARG O 1 1 19 4255 1 1 14 ARG C C -6.075 -18.629 0.688 1.00 . A A . 63 ILE C 1 1 19 4256 1 1 14 ARG CA C -4.964 -18.673 1.748 1.00 . A A . 63 ILE CA 1 1 19 4257 1 1 14 ARG CB C -5.497 -18.459 3.198 1.00 . A A . 63 ILE CB 1 1 19 4258 1 1 14 ARG H H -4.170 -16.667 1.568 1.00 . A A . 63 ILE H 1 1 19 4259 1 1 14 ARG HA H -4.525 -19.658 1.728 1.00 . A A . 63 ILE HA 1 1 19 4260 1 1 14 ARG N N -3.933 -17.621 1.508 1.00 . A A . 63 ILE N 1 1 19 4261 1 1 14 ARG O O -6.525 -19.655 0.224 1.00 . A A . 63 ILE O 1 1 19 4262 1 1 15 ILE C C -7.164 -17.857 -2.009 1.00 . A A . 64 LEU C 1 1 19 4263 1 1 15 ILE CA C -7.528 -17.204 -0.686 1.00 . A A . 64 LEU CA 1 1 19 4264 1 1 15 ILE CB C -7.699 -15.659 -0.805 1.00 . A A . 64 LEU CB 1 1 19 4265 1 1 15 ILE CD1 C -10.115 -15.771 -1.580 1.00 . A A . 64 LEU CD1 1 1 19 4266 1 1 15 ILE H H -6.012 -16.671 0.714 1.00 . A A . 64 LEU H 1 1 19 4267 1 1 15 ILE HA H -8.442 -17.653 -0.343 1.00 . A A . 64 LEU HA 1 1 19 4268 1 1 15 ILE HD11 H -10.458 -15.330 -0.654 1.00 . A A . 64 LEU HD11 1 1 19 4269 1 1 15 ILE HD12 H -10.800 -15.493 -2.368 1.00 . A A . 64 LEU HD12 1 1 19 4270 1 1 15 ILE HD13 H -10.144 -16.845 -1.481 1.00 . A A . 64 LEU HD13 1 1 19 4271 1 1 15 ILE N N -6.458 -17.440 0.321 1.00 . A A . 64 LEU N 1 1 19 4272 1 1 15 ILE O O -7.610 -18.938 -2.339 1.00 . A A . 64 LEU O 1 1 19 4273 1 1 16 LEU C C -5.107 -19.043 -3.841 1.00 . A A . 65 GLN C 1 1 19 4274 1 1 16 LEU CA C -5.982 -17.829 -4.056 1.00 . A A . 65 GLN CA 1 1 19 4275 1 1 16 LEU CB C -5.247 -16.789 -4.937 1.00 . A A . 65 GLN CB 1 1 19 4276 1 1 16 LEU CG C -6.117 -15.532 -5.216 1.00 . A A . 65 GLN CG 1 1 19 4277 1 1 16 LEU H H -5.963 -16.339 -2.501 1.00 . A A . 65 GLN H 1 1 19 4278 1 1 16 LEU HA H -6.889 -18.251 -4.463 1.00 . A A . 65 GLN HA 1 1 19 4279 1 1 16 LEU HB3 H -4.320 -16.508 -4.458 1.00 . A A . 65 GLN HB2 1 1 19 4280 1 1 16 LEU N N -6.338 -17.202 -2.766 1.00 . A A . 65 GLN N 1 1 19 4281 1 1 16 LEU O O -4.811 -19.741 -4.792 1.00 . A A . 65 GLN O 1 1 19 4282 1 1 17 GLN C C -4.731 -21.728 -2.225 1.00 . A A . 66 GLN C 1 1 19 4283 1 1 17 GLN CA C -3.855 -20.501 -2.454 1.00 . A A . 66 GLN CA 1 1 19 4284 1 1 17 GLN CB C -2.922 -20.245 -1.279 1.00 . A A . 66 GLN CB 1 1 19 4285 1 1 17 GLN CD C -0.561 -20.719 -0.510 1.00 . A A . 66 GLN CD 1 1 19 4286 1 1 17 GLN CG C -1.727 -21.228 -1.357 1.00 . A A . 66 GLN CG 1 1 19 4287 1 1 17 GLN H H -4.996 -18.746 -1.853 1.00 . A A . 66 GLN H 1 1 19 4288 1 1 17 GLN HA H -3.270 -20.654 -3.350 1.00 . A A . 66 GLN HA 1 1 19 4289 1 1 17 GLN HB3 H -2.583 -19.218 -1.278 1.00 . A A . 66 GLN HB2 1 1 19 4290 1 1 17 GLN HE21 H -0.435 -18.996 -1.479 1.00 . A A . 66 GLN HE21 1 1 19 4291 1 1 17 GLN HE22 H 0.688 -19.233 -0.215 1.00 . A A . 66 GLN HE22 1 1 19 4292 1 1 17 GLN HG3 H -2.021 -22.195 -0.973 1.00 . A A . 66 GLN HG2 1 1 19 4293 1 1 17 GLN N N -4.720 -19.304 -2.622 1.00 . A A . 66 GLN N 1 1 19 4294 1 1 17 GLN NE2 N -0.062 -19.546 -0.761 1.00 . A A . 66 GLN NE2 1 1 19 4295 1 1 17 GLN O O -4.329 -22.833 -2.540 1.00 . A A . 66 GLN O 1 1 19 4296 1 1 17 GLN OE1 O -0.082 -21.377 0.385 1.00 . A A . 66 GLN OE1 1 1 19 4297 1 1 18 GLN C C -7.473 -22.956 -2.798 1.00 . A A . 67 LEU C 1 1 19 4298 1 1 18 GLN CA C -6.789 -22.706 -1.470 1.00 . A A . 67 LEU CA 1 1 19 4299 1 1 18 GLN CB C -7.788 -22.380 -0.308 1.00 . A A . 67 LEU CB 1 1 19 4300 1 1 18 GLN CG C -8.846 -21.273 -0.575 1.00 . A A . 67 LEU CG 1 1 19 4301 1 1 18 GLN H H -6.243 -20.607 -1.497 1.00 . A A . 67 LEU H 1 1 19 4302 1 1 18 GLN HA H -6.179 -23.561 -1.217 1.00 . A A . 67 LEU HA 1 1 19 4303 1 1 18 GLN HB3 H -8.295 -23.297 -0.087 1.00 . A A . 67 LEU HB2 1 1 19 4304 1 1 18 GLN N N -5.916 -21.517 -1.708 1.00 . A A . 67 LEU N 1 1 19 4305 1 1 18 GLN O O -7.850 -24.054 -3.154 1.00 . A A . 67 LEU O 1 1 19 4306 1 1 19 LEU C C -7.267 -22.548 -5.814 1.00 . A A . 68 LEU C 1 1 19 4307 1 1 19 LEU CA C -8.251 -21.971 -4.849 1.00 . A A . 68 LEU CA 1 1 19 4308 1 1 19 LEU CB C -8.676 -20.560 -5.309 1.00 . A A . 68 LEU CB 1 1 19 4309 1 1 19 LEU CD1 C -10.111 -18.540 -4.896 1.00 . A A . 68 LEU CD1 1 1 19 4310 1 1 19 LEU CD2 C -11.109 -20.827 -4.636 1.00 . A A . 68 LEU CD2 1 1 19 4311 1 1 19 LEU CG C -9.819 -19.988 -4.435 1.00 . A A . 68 LEU CG 1 1 19 4312 1 1 19 LEU H H -7.291 -21.030 -3.185 1.00 . A A . 68 LEU H 1 1 19 4313 1 1 19 LEU HA H -9.018 -22.721 -4.799 1.00 . A A . 68 LEU HA 1 1 19 4314 1 1 19 LEU HB3 H -7.817 -19.914 -5.229 1.00 . A A . 68 LEU HB2 1 1 19 4315 1 1 19 LEU HD11 H -10.411 -18.519 -5.934 1.00 . A A . 68 LEU HD11 1 1 19 4316 1 1 19 LEU HD12 H -10.905 -18.114 -4.299 1.00 . A A . 68 LEU HD12 1 1 19 4317 1 1 19 LEU HD13 H -9.233 -17.924 -4.778 1.00 . A A . 68 LEU HD13 1 1 19 4318 1 1 19 LEU HD21 H -11.425 -20.808 -5.670 1.00 . A A . 68 LEU HD21 1 1 19 4319 1 1 19 LEU HD22 H -10.954 -21.856 -4.346 1.00 . A A . 68 LEU HD22 1 1 19 4320 1 1 19 LEU HD23 H -11.905 -20.424 -4.027 1.00 . A A . 68 LEU HD23 1 1 19 4321 1 1 19 LEU HG H -9.533 -19.979 -3.392 1.00 . A A . 68 LEU HG 1 1 19 4322 1 1 19 LEU N N -7.610 -21.886 -3.525 1.00 . A A . 68 LEU N 1 1 19 4323 1 1 19 LEU O O -7.645 -23.331 -6.650 1.00 . A A . 68 LEU O 1 1 19 4324 1 1 20 LEU C C -4.964 -24.211 -6.441 1.00 . A A . 69 PHE C 1 1 19 4325 1 1 20 LEU CA C -5.035 -22.732 -6.630 1.00 . A A . 69 PHE CA 1 1 19 4326 1 1 20 LEU CB C -3.678 -22.063 -6.333 1.00 . A A . 69 PHE CB 1 1 19 4327 1 1 20 LEU CD1 C -2.369 -23.123 -8.207 1.00 . A A . 69 PHE CD1 1 1 19 4328 1 1 20 LEU CD2 C -1.669 -23.558 -5.969 1.00 . A A . 69 PHE CD2 1 1 19 4329 1 1 20 LEU CG C -2.535 -22.941 -6.854 1.00 . A A . 69 PHE CG 1 1 19 4330 1 1 20 LEU H H -5.728 -21.584 -4.991 1.00 . A A . 69 PHE H 1 1 19 4331 1 1 20 LEU HA H -5.408 -22.578 -7.637 1.00 . A A . 69 PHE HA 1 1 19 4332 1 1 20 LEU HB3 H -3.624 -21.097 -6.816 1.00 . A A . 69 PHE HB2 1 1 19 4333 1 1 20 LEU N N -6.028 -22.189 -5.693 1.00 . A A . 69 PHE N 1 1 19 4334 1 1 20 LEU O O -4.824 -24.929 -7.410 1.00 . A A . 69 PHE O 1 1 19 4335 1 1 21 PHE C C -6.331 -26.737 -5.403 1.00 . A A . 70 ILE C 1 1 19 4336 1 1 21 PHE CA C -4.997 -26.101 -5.071 1.00 . A A . 70 ILE CA 1 1 19 4337 1 1 21 PHE CB C -4.506 -26.416 -3.627 1.00 . A A . 70 ILE CB 1 1 19 4338 1 1 21 PHE CD1 C -6.543 -26.766 -2.251 1.00 . A A . 70 ILE CD1 1 1 19 4339 1 1 21 PHE H H -5.248 -24.047 -4.459 1.00 . A A . 70 ILE H 1 1 19 4340 1 1 21 PHE HA H -4.261 -26.429 -5.754 1.00 . A A . 70 ILE HA 1 1 19 4341 1 1 21 PHE N N -5.087 -24.643 -5.220 1.00 . A A . 70 ILE N 1 1 19 4342 1 1 21 PHE O O -6.384 -27.849 -5.892 1.00 . A A . 70 ILE O 1 1 19 4343 1 1 22 ILE C C -8.922 -26.602 -6.988 1.00 . A A . 71 HIS C 1 1 19 4344 1 1 22 ILE CA C -8.707 -26.639 -5.479 1.00 . A A . 71 HIS CA 1 1 19 4345 1 1 22 ILE CB C -9.843 -25.890 -4.764 1.00 . A A . 71 HIS CB 1 1 19 4346 1 1 22 ILE H H -7.311 -25.091 -4.782 1.00 . A A . 71 HIS H 1 1 19 4347 1 1 22 ILE HA H -8.662 -27.669 -5.175 1.00 . A A . 71 HIS HA 1 1 19 4348 1 1 22 ILE HD11 H -12.289 -25.625 -3.493 1.00 . A A . 71 HIS HD1 1 1 19 4349 1 1 22 ILE HD12 H -10.615 -28.595 -5.861 1.00 . A A . 71 HIS HD2 1 1 19 4350 1 1 22 ILE N N -7.393 -26.007 -5.156 1.00 . A A . 71 HIS N 1 1 19 4351 1 1 22 ILE O O -9.609 -27.428 -7.551 1.00 . A A . 71 HIS O 1 1 19 4352 1 1 23 HIS C C -7.397 -26.338 -9.795 1.00 . A A . 72 PHE C 1 1 19 4353 1 1 23 HIS CA C -8.430 -25.474 -9.093 1.00 . A A . 72 PHE CA 1 1 19 4354 1 1 23 HIS CB C -8.217 -23.983 -9.502 1.00 . A A . 72 PHE CB 1 1 19 4355 1 1 23 HIS CD2 C -10.171 -22.534 -8.750 1.00 . A A . 72 PHE CD2 1 1 19 4356 1 1 23 HIS CE1 C -11.571 -23.094 -11.060 1.00 . A A . 72 PHE CE1 1 1 19 4357 1 1 23 HIS CG C -9.607 -23.359 -9.706 1.00 . A A . 72 PHE CG 1 1 19 4358 1 1 23 HIS H H -7.794 -25.030 -7.041 1.00 . A A . 72 PHE H 1 1 19 4359 1 1 23 HIS HA H -9.405 -25.823 -9.402 1.00 . A A . 72 PHE HA 1 1 19 4360 1 1 23 HIS HB3 H -7.696 -23.427 -8.751 1.00 . A A . 72 PHE HB2 1 1 19 4361 1 1 23 HIS HD1 H -9.893 -24.277 -11.619 1.00 . A A . 72 PHE HD1 1 1 19 4362 1 1 23 HIS HD2 H -9.625 -22.314 -7.845 1.00 . A A . 72 PHE HD2 1 1 19 4363 1 1 23 HIS HE1 H -12.116 -23.318 -11.965 1.00 . A A . 72 PHE HE1 1 1 19 4364 1 1 23 HIS N N -8.317 -25.635 -7.605 1.00 . A A . 72 PHE N 1 1 19 4365 1 1 23 HIS O O -7.697 -27.004 -10.762 1.00 . A A . 72 PHE O 1 1 19 4366 1 1 24 PHE C C -5.608 -28.594 -9.927 1.00 . A A . 73 ARG C 1 1 19 4367 1 1 24 PHE CA C -5.121 -27.140 -9.933 1.00 . A A . 73 ARG CA 1 1 19 4368 1 1 24 PHE CB C -3.816 -27.015 -9.119 1.00 . A A . 73 ARG CB 1 1 19 4369 1 1 24 PHE CG C -2.660 -27.843 -9.745 1.00 . A A . 73 ARG CG 1 1 19 4370 1 1 24 PHE CZ C -2.125 -25.436 -12.528 1.00 . A A . 73 ARG CZ 1 1 19 4371 1 1 24 PHE H H -6.001 -25.751 -8.514 1.00 . A A . 73 ARG H 1 1 19 4372 1 1 24 PHE HA H -4.989 -26.815 -10.954 1.00 . A A . 73 ARG HA 1 1 19 4373 1 1 24 PHE HB3 H -3.521 -25.976 -9.087 1.00 . A A . 73 ARG HB2 1 1 19 4374 1 1 24 PHE HD2 H -1.385 -26.141 -10.125 1.00 . A A . 73 ARG HD2 1 1 19 4375 1 1 24 PHE N N -6.193 -26.311 -9.296 1.00 . A A . 73 ARG N 1 1 19 4376 1 1 24 PHE O O -5.417 -29.320 -10.882 1.00 . A A . 73 ARG O 1 1 19 4377 1 1 25 ARG C C -8.214 -30.513 -9.171 1.00 . A A . 74 ILE C 1 1 19 4378 1 1 25 ARG CA C -6.755 -30.357 -8.690 1.00 . A A . 74 ILE CA 1 1 19 4379 1 1 25 ARG CB C -6.621 -30.729 -7.195 1.00 . A A . 74 ILE CB 1 1 19 4380 1 1 25 ARG H H -6.339 -28.346 -8.088 1.00 . A A . 74 ILE H 1 1 19 4381 1 1 25 ARG HA H -6.144 -31.020 -9.288 1.00 . A A . 74 ILE HA 1 1 19 4382 1 1 25 ARG N N -6.225 -28.970 -8.835 1.00 . A A . 74 ILE N 1 1 19 4383 1 1 25 ARG O O -8.569 -31.524 -9.742 1.00 . A A . 74 ILE O 1 1 19 4384 1 1 26 ILE C C -10.757 -28.771 -10.613 1.00 . A A . 75 GLY C 1 1 19 4385 1 1 26 ILE CA C -10.467 -29.573 -9.350 1.00 . A A . 75 GLY CA 1 1 19 4386 1 1 26 ILE H H -8.689 -28.727 -8.469 1.00 . A A . 75 GLY H 1 1 19 4387 1 1 26 ILE N N -9.025 -29.521 -8.931 1.00 . A A . 75 GLY N 1 1 19 4388 1 1 26 ILE O O -11.890 -28.512 -10.960 1.00 . A A . 75 GLY O 1 1 19 4389 1 1 27 GLY N N -9.782 -28.351 -11.353 1.00 . A A . 76 NH2 N 1 1 20 4390 1 1 1 ACE C C 0.563 4.270 5.676 1.00 . A A . 50 ACE C 1 1 20 4391 1 1 1 ACE CH3 C 0.375 4.949 7.024 1.00 . A A . 50 ACE CH3 1 1 20 4392 1 1 1 ACE O O 1.282 4.778 4.841 1.00 . A A . 50 ACE O 1 1 20 4393 1 1 2 TYR C C 3.962 0.376 4.057 1.00 . A A . 51 GLY C 1 1 20 4394 1 1 2 TYR CA C 3.718 1.888 3.982 1.00 . A A . 51 GLY CA 1 1 20 4395 1 1 2 TYR H H 2.033 3.226 4.412 1.00 . A A . 51 GLY H 1 1 20 4396 1 1 2 TYR N N 2.288 2.321 4.162 1.00 . A A . 51 GLY N 1 1 20 4397 1 1 2 TYR O O 4.480 -0.228 3.140 1.00 . A A . 51 GLY O 1 1 20 4398 1 1 3 GLY C C 2.466 -2.432 5.697 1.00 . A A . 52 ASP C 1 1 20 4399 1 1 3 GLY CA C 3.771 -1.696 5.332 1.00 . A A . 52 ASP CA 1 1 20 4400 1 1 3 GLY H H 3.153 0.336 5.845 1.00 . A A . 52 ASP H 1 1 20 4401 1 1 3 GLY N N 3.574 -0.212 5.154 1.00 . A A . 52 ASP N 1 1 20 4402 1 1 3 GLY O O 2.486 -3.450 6.360 1.00 . A A . 52 ASP O 1 1 20 4403 1 1 4 ASP C C -0.220 -3.759 4.664 1.00 . A A . 53 THR C 1 1 20 4404 1 1 4 ASP CA C 0.041 -2.601 5.586 1.00 . A A . 53 THR CA 1 1 20 4405 1 1 4 ASP CB C -1.114 -1.530 5.511 1.00 . A A . 53 THR CB 1 1 20 4406 1 1 4 ASP H H 1.357 -1.111 4.707 1.00 . A A . 53 THR H 1 1 20 4407 1 1 4 ASP HA H 0.141 -3.066 6.532 1.00 . A A . 53 THR HA 1 1 20 4408 1 1 4 ASP N N 1.343 -1.923 5.254 1.00 . A A . 53 THR N 1 1 20 4409 1 1 4 ASP O O -1.024 -4.640 4.921 1.00 . A A . 53 THR O 1 1 20 4410 1 1 5 THR C C 0.690 -6.140 3.133 1.00 . A A . 54 TRP C 1 1 20 4411 1 1 5 THR CA C 0.374 -4.763 2.578 1.00 . A A . 54 TRP CA 1 1 20 4412 1 1 5 THR CB C 1.302 -4.402 1.417 1.00 . A A . 54 TRP CB 1 1 20 4413 1 1 5 THR H H 1.119 -2.949 3.509 1.00 . A A . 54 TRP H 1 1 20 4414 1 1 5 THR HA H -0.667 -4.755 2.317 1.00 . A A . 54 TRP HA 1 1 20 4415 1 1 5 THR N N 0.506 -3.704 3.599 1.00 . A A . 54 TRP N 1 1 20 4416 1 1 5 THR O O 0.265 -7.139 2.586 1.00 . A A . 54 TRP O 1 1 20 4417 1 1 6 TRP C C 0.472 -8.185 5.206 1.00 . A A . 55 ALA C 1 1 20 4418 1 1 6 TRP CA C 1.782 -7.470 4.827 1.00 . A A . 55 ALA CA 1 1 20 4419 1 1 6 TRP CB C 2.648 -7.191 6.069 1.00 . A A . 55 ALA CB 1 1 20 4420 1 1 6 TRP H H 1.739 -5.314 4.599 1.00 . A A . 55 ALA H 1 1 20 4421 1 1 6 TRP HA H 2.295 -8.072 4.091 1.00 . A A . 55 ALA HA 1 1 20 4422 1 1 6 TRP HB2 H 2.103 -6.590 6.781 1.00 . A A . 55 ALA HB1 1 1 20 4423 1 1 6 TRP HB3 H 2.920 -8.124 6.540 1.00 . A A . 55 ALA HB2 1 1 20 4424 1 1 6 TRP N N 1.428 -6.159 4.209 1.00 . A A . 55 ALA N 1 1 20 4425 1 1 6 TRP O O 0.384 -9.398 5.215 1.00 . A A . 55 ALA O 1 1 20 4426 1 1 7 ALA C C -2.406 -8.561 4.615 1.00 . A A . 56 GLY C 1 1 20 4427 1 1 7 ALA CA C -1.847 -7.947 5.883 1.00 . A A . 56 GLY CA 1 1 20 4428 1 1 7 ALA H H -0.392 -6.409 5.449 1.00 . A A . 56 GLY H 1 1 20 4429 1 1 7 ALA N N -0.520 -7.382 5.497 1.00 . A A . 56 GLY N 1 1 20 4430 1 1 7 ALA O O -2.755 -9.722 4.576 1.00 . A A . 56 GLY O 1 1 20 4431 1 1 8 GLY C C -2.331 -9.522 1.845 1.00 . A A . 57 VAL C 1 1 20 4432 1 1 8 GLY CA C -2.986 -8.200 2.277 1.00 . A A . 57 VAL CA 1 1 20 4433 1 1 8 GLY H H -2.156 -6.828 3.687 1.00 . A A . 57 VAL H 1 1 20 4434 1 1 8 GLY N N -2.464 -7.753 3.595 1.00 . A A . 57 VAL N 1 1 20 4435 1 1 8 GLY O O -2.998 -10.472 1.459 1.00 . A A . 57 VAL O 1 1 20 4436 1 1 9 VAL C C -0.758 -12.011 2.362 1.00 . A A . 58 GLU C 1 1 20 4437 1 1 9 VAL CA C -0.354 -10.820 1.509 1.00 . A A . 58 GLU CA 1 1 20 4438 1 1 9 VAL CB C 1.185 -10.667 1.591 1.00 . A A . 58 GLU CB 1 1 20 4439 1 1 9 VAL H H -0.516 -8.774 2.244 1.00 . A A . 58 GLU H 1 1 20 4440 1 1 9 VAL HA H -0.700 -11.044 0.510 1.00 . A A . 58 GLU HA 1 1 20 4441 1 1 9 VAL N N -1.027 -9.556 1.922 1.00 . A A . 58 GLU N 1 1 20 4442 1 1 9 VAL O O -0.684 -13.132 1.905 1.00 . A A . 58 GLU O 1 1 20 4443 1 1 10 GLU C C -2.849 -13.577 3.812 1.00 . A A . 59 ALA C 1 1 20 4444 1 1 10 GLU CA C -1.580 -12.963 4.397 1.00 . A A . 59 ALA CA 1 1 20 4445 1 1 10 GLU CB C -1.819 -12.493 5.842 1.00 . A A . 59 ALA CB 1 1 20 4446 1 1 10 GLU H H -1.287 -10.855 3.893 1.00 . A A . 59 ALA H 1 1 20 4447 1 1 10 GLU HA H -0.794 -13.707 4.325 1.00 . A A . 59 ALA HA 1 1 20 4448 1 1 10 GLU HB2 H -2.609 -11.756 5.883 1.00 . A A . 59 ALA HB1 1 1 20 4449 1 1 10 GLU HB3 H -2.092 -13.337 6.461 1.00 . A A . 59 ALA HB2 1 1 20 4450 1 1 10 GLU N N -1.196 -11.780 3.563 1.00 . A A . 59 ALA N 1 1 20 4451 1 1 10 GLU O O -3.163 -14.730 4.024 1.00 . A A . 59 ALA O 1 1 20 4452 1 1 11 ALA C C -4.456 -13.944 1.151 1.00 . A A . 60 ILE C 1 1 20 4453 1 1 11 ALA CA C -4.801 -13.198 2.426 1.00 . A A . 60 ILE CA 1 1 20 4454 1 1 11 ALA CB C -5.649 -11.948 2.104 1.00 . A A . 60 ILE CB 1 1 20 4455 1 1 11 ALA H H -3.208 -11.847 2.929 1.00 . A A . 60 ILE H 1 1 20 4456 1 1 11 ALA HA H -5.308 -13.892 3.081 1.00 . A A . 60 ILE HA 1 1 20 4457 1 1 11 ALA N N -3.536 -12.761 3.070 1.00 . A A . 60 ILE N 1 1 20 4458 1 1 11 ALA O O -4.807 -15.092 0.975 1.00 . A A . 60 ILE O 1 1 20 4459 1 1 12 ILE C C -2.592 -15.195 -0.712 1.00 . A A . 61 ILE C 1 1 20 4460 1 1 12 ILE CA C -3.378 -13.911 -1.003 1.00 . A A . 61 ILE CA 1 1 20 4461 1 1 12 ILE CB C -2.599 -12.820 -1.802 1.00 . A A . 61 ILE CB 1 1 20 4462 1 1 12 ILE CD1 C -0.298 -13.632 -1.928 1.00 . A A . 61 ILE CD1 1 1 20 4463 1 1 12 ILE CG1 C -1.215 -12.609 -1.269 1.00 . A A . 61 ILE CG1 1 1 20 4464 1 1 12 ILE CG2 C -3.372 -11.462 -1.808 1.00 . A A . 61 ILE CG2 1 1 20 4465 1 1 12 ILE H H -3.475 -12.348 0.486 1.00 . A A . 61 ILE H 1 1 20 4466 1 1 12 ILE HA H -4.247 -14.206 -1.552 1.00 . A A . 61 ILE HA 1 1 20 4467 1 1 12 ILE HB H -2.479 -13.126 -2.818 1.00 . A A . 61 ILE HB 1 1 20 4468 1 1 12 ILE HD11 H -0.601 -14.646 -1.729 1.00 . A A . 61 ILE HD11 1 1 20 4469 1 1 12 ILE HD12 H -0.324 -13.477 -2.995 1.00 . A A . 61 ILE HD12 1 1 20 4470 1 1 12 ILE HD13 H 0.699 -13.493 -1.553 1.00 . A A . 61 ILE HD13 1 1 20 4471 1 1 12 ILE HG13 H -0.883 -11.604 -1.484 1.00 . A A . 61 ILE HG12 1 1 20 4472 1 1 12 ILE HG21 H -4.348 -11.595 -2.251 1.00 . A A . 61 ILE HG21 1 1 20 4473 1 1 12 ILE HG22 H -3.499 -11.057 -0.817 1.00 . A A . 61 ILE HG22 1 1 20 4474 1 1 12 ILE HG23 H -2.838 -10.732 -2.398 1.00 . A A . 61 ILE HG23 1 1 20 4475 1 1 12 ILE N N -3.758 -13.269 0.285 1.00 . A A . 61 ILE N 1 1 20 4476 1 1 12 ILE O O -2.714 -16.160 -1.443 1.00 . A A . 61 ILE O 1 1 20 4477 1 1 13 ILE C C -1.902 -17.615 0.862 1.00 . A A . 62 ARG C 1 1 20 4478 1 1 13 ILE CA C -1.008 -16.379 0.727 1.00 . A A . 62 ARG CA 1 1 20 4479 1 1 13 ILE CB C -0.294 -16.114 2.080 1.00 . A A . 62 ARG CB 1 1 20 4480 1 1 13 ILE H H -1.751 -14.368 0.904 1.00 . A A . 62 ARG H 1 1 20 4481 1 1 13 ILE HA H -0.289 -16.576 -0.053 1.00 . A A . 62 ARG HA 1 1 20 4482 1 1 13 ILE HD12 H 2.211 -17.122 2.165 1.00 . A A . 62 ARG HD2 1 1 20 4483 1 1 13 ILE HD13 H 1.882 -16.721 0.476 1.00 . A A . 62 ARG HD3 1 1 20 4484 1 1 13 ILE N N -1.816 -15.177 0.345 1.00 . A A . 62 ARG N 1 1 20 4485 1 1 13 ILE O O -1.421 -18.721 0.707 1.00 . A A . 62 ARG O 1 1 20 4486 1 1 14 ARG C C -5.303 -18.563 0.309 1.00 . A A . 63 ILE C 1 1 20 4487 1 1 14 ARG CA C -4.111 -18.556 1.296 1.00 . A A . 63 ILE CA 1 1 20 4488 1 1 14 ARG CB C -4.587 -18.524 2.767 1.00 . A A . 63 ILE CB 1 1 20 4489 1 1 14 ARG H H -3.502 -16.484 1.261 1.00 . A A . 63 ILE H 1 1 20 4490 1 1 14 ARG HA H -3.582 -19.491 1.193 1.00 . A A . 63 ILE HA 1 1 20 4491 1 1 14 ARG N N -3.166 -17.404 1.143 1.00 . A A . 63 ILE N 1 1 20 4492 1 1 14 ARG O O -5.696 -19.593 -0.199 1.00 . A A . 63 ILE O 1 1 20 4493 1 1 15 ILE C C -6.834 -18.018 -2.118 1.00 . A A . 64 LEU C 1 1 20 4494 1 1 15 ILE CA C -6.985 -17.183 -0.864 1.00 . A A . 64 LEU CA 1 1 20 4495 1 1 15 ILE CB C -7.024 -15.658 -1.149 1.00 . A A . 64 LEU CB 1 1 20 4496 1 1 15 ILE CD1 C -9.504 -15.631 -1.718 1.00 . A A . 64 LEU CD1 1 1 20 4497 1 1 15 ILE H H -5.409 -16.632 0.457 1.00 . A A . 64 LEU H 1 1 20 4498 1 1 15 ILE HA H -7.895 -17.484 -0.375 1.00 . A A . 64 LEU HA 1 1 20 4499 1 1 15 ILE HD11 H -9.731 -15.069 -0.821 1.00 . A A . 64 LEU HD11 1 1 20 4500 1 1 15 ILE HD12 H -10.224 -15.367 -2.478 1.00 . A A . 64 LEU HD12 1 1 20 4501 1 1 15 ILE HD13 H -9.619 -16.683 -1.504 1.00 . A A . 64 LEU HD13 1 1 20 4502 1 1 15 ILE N N -5.823 -17.402 0.046 1.00 . A A . 64 LEU N 1 1 20 4503 1 1 15 ILE O O -7.471 -19.041 -2.300 1.00 . A A . 64 LEU O 1 1 20 4504 1 1 16 LEU C C -4.966 -19.582 -3.904 1.00 . A A . 65 GLN C 1 1 20 4505 1 1 16 LEU CA C -5.768 -18.325 -4.203 1.00 . A A . 65 GLN CA 1 1 20 4506 1 1 16 LEU CB C -5.049 -17.443 -5.225 1.00 . A A . 65 GLN CB 1 1 20 4507 1 1 16 LEU CG C -3.706 -16.890 -4.695 1.00 . A A . 65 GLN CG 1 1 20 4508 1 1 16 LEU H H -5.459 -16.736 -2.788 1.00 . A A . 65 GLN H 1 1 20 4509 1 1 16 LEU HA H -6.736 -18.626 -4.553 1.00 . A A . 65 GLN HA 1 1 20 4510 1 1 16 LEU HB3 H -4.852 -18.022 -6.115 1.00 . A A . 65 GLN HB2 1 1 20 4511 1 1 16 LEU N N -5.963 -17.556 -2.964 1.00 . A A . 65 GLN N 1 1 20 4512 1 1 16 LEU O O -4.747 -20.387 -4.788 1.00 . A A . 65 GLN O 1 1 20 4513 1 1 17 GLN C C -4.781 -22.127 -2.367 1.00 . A A . 66 GLN C 1 1 20 4514 1 1 17 GLN CA C -3.768 -20.974 -2.363 1.00 . A A . 66 GLN CA 1 1 20 4515 1 1 17 GLN CB C -3.117 -20.810 -0.975 1.00 . A A . 66 GLN CB 1 1 20 4516 1 1 17 GLN CD C -0.774 -21.159 -1.741 1.00 . A A . 66 GLN CD 1 1 20 4517 1 1 17 GLN CG C -1.871 -21.703 -0.827 1.00 . A A . 66 GLN CG 1 1 20 4518 1 1 17 GLN H H -4.777 -19.091 -1.959 1.00 . A A . 66 GLN H 1 1 20 4519 1 1 17 GLN HA H -3.031 -21.138 -3.138 1.00 . A A . 66 GLN HA 1 1 20 4520 1 1 17 GLN HB3 H -2.827 -19.778 -0.839 1.00 . A A . 66 GLN HB2 1 1 20 4521 1 1 17 GLN HE21 H -0.316 -19.665 -0.517 1.00 . A A . 66 GLN HE21 1 1 20 4522 1 1 17 GLN HE22 H 0.599 -19.763 -1.954 1.00 . A A . 66 GLN HE22 1 1 20 4523 1 1 17 GLN HG3 H -1.514 -21.692 0.192 1.00 . A A . 66 GLN HG2 1 1 20 4524 1 1 17 GLN N N -4.559 -19.744 -2.671 1.00 . A A . 66 GLN N 1 1 20 4525 1 1 17 GLN NE2 N -0.107 -20.106 -1.371 1.00 . A A . 66 GLN NE2 1 1 20 4526 1 1 17 GLN O O -4.503 -23.238 -2.778 1.00 . A A . 66 GLN O 1 1 20 4527 1 1 17 GLN OE1 O -0.522 -21.685 -2.803 1.00 . A A . 66 GLN OE1 1 1 20 4528 1 1 18 GLN C C -7.639 -22.961 -3.215 1.00 . A A . 67 LEU C 1 1 20 4529 1 1 18 GLN CA C -7.064 -22.790 -1.833 1.00 . A A . 67 LEU CA 1 1 20 4530 1 1 18 GLN CB C -8.143 -22.280 -0.878 1.00 . A A . 67 LEU CB 1 1 20 4531 1 1 18 GLN CG C -7.561 -22.060 0.535 1.00 . A A . 67 LEU CG 1 1 20 4532 1 1 18 GLN H H -6.122 -20.863 -1.621 1.00 . A A . 67 LEU H 1 1 20 4533 1 1 18 GLN HA H -6.662 -23.741 -1.520 1.00 . A A . 67 LEU HA 1 1 20 4534 1 1 18 GLN HB3 H -8.542 -21.347 -1.258 1.00 . A A . 67 LEU HB2 1 1 20 4535 1 1 18 GLN N N -5.960 -21.793 -1.908 1.00 . A A . 67 LEU N 1 1 20 4536 1 1 18 GLN O O -8.085 -24.018 -3.610 1.00 . A A . 67 LEU O 1 1 20 4537 1 1 19 LEU C C -7.226 -22.700 -6.222 1.00 . A A . 68 LEU C 1 1 20 4538 1 1 19 LEU CA C -8.156 -21.955 -5.316 1.00 . A A . 68 LEU CA 1 1 20 4539 1 1 19 LEU CB C -8.364 -20.540 -5.837 1.00 . A A . 68 LEU CB 1 1 20 4540 1 1 19 LEU CD1 C -9.635 -18.384 -5.549 1.00 . A A . 68 LEU CD1 1 1 20 4541 1 1 19 LEU CD2 C -10.888 -20.548 -5.686 1.00 . A A . 68 LEU CD2 1 1 20 4542 1 1 19 LEU CG C -9.586 -19.879 -5.153 1.00 . A A . 68 LEU CG 1 1 20 4543 1 1 19 LEU H H -7.238 -21.074 -3.566 1.00 . A A . 68 LEU H 1 1 20 4544 1 1 19 LEU HA H -9.038 -22.559 -5.282 1.00 . A A . 68 LEU HA 1 1 20 4545 1 1 19 LEU HB3 H -7.460 -19.996 -5.632 1.00 . A A . 68 LEU HB2 1 1 20 4546 1 1 19 LEU HD11 H -9.721 -18.269 -6.620 1.00 . A A . 68 LEU HD11 1 1 20 4547 1 1 19 LEU HD12 H -10.489 -17.911 -5.086 1.00 . A A . 68 LEU HD12 1 1 20 4548 1 1 19 LEU HD13 H -8.744 -17.872 -5.218 1.00 . A A . 68 LEU HD13 1 1 20 4549 1 1 19 LEU HD21 H -10.906 -21.610 -5.485 1.00 . A A . 68 LEU HD21 1 1 20 4550 1 1 19 LEU HD22 H -11.751 -20.100 -5.215 1.00 . A A . 68 LEU HD22 1 1 20 4551 1 1 19 LEU HD23 H -10.978 -20.406 -6.756 1.00 . A A . 68 LEU HD23 1 1 20 4552 1 1 19 LEU HG H -9.531 -19.974 -4.075 1.00 . A A . 68 LEU HG 1 1 20 4553 1 1 19 LEU N N -7.614 -21.891 -3.942 1.00 . A A . 68 LEU N 1 1 20 4554 1 1 19 LEU O O -7.684 -23.413 -7.086 1.00 . A A . 68 LEU O 1 1 20 4555 1 1 20 LEU C C -5.150 -24.717 -6.627 1.00 . A A . 69 PHE C 1 1 20 4556 1 1 20 LEU CA C -4.989 -23.254 -6.880 1.00 . A A . 69 PHE CA 1 1 20 4557 1 1 20 LEU CB C -3.559 -22.747 -6.521 1.00 . A A . 69 PHE CB 1 1 20 4558 1 1 20 LEU CD1 C -2.182 -24.272 -8.020 1.00 . A A . 69 PHE CD1 1 1 20 4559 1 1 20 LEU CD2 C -1.886 -24.424 -5.661 1.00 . A A . 69 PHE CD2 1 1 20 4560 1 1 20 LEU CG C -2.510 -23.846 -6.748 1.00 . A A . 69 PHE CG 1 1 20 4561 1 1 20 LEU H H -5.620 -21.994 -5.288 1.00 . A A . 69 PHE H 1 1 20 4562 1 1 20 LEU HA H -5.280 -23.101 -7.915 1.00 . A A . 69 PHE HA 1 1 20 4563 1 1 20 LEU HB3 H -3.308 -21.902 -7.145 1.00 . A A . 69 PHE HB2 1 1 20 4564 1 1 20 LEU N N -5.954 -22.549 -6.016 1.00 . A A . 69 PHE N 1 1 20 4565 1 1 20 LEU O O -5.029 -25.485 -7.557 1.00 . A A . 69 PHE O 1 1 20 4566 1 1 21 PHE C C -6.987 -26.959 -5.567 1.00 . A A . 70 ILE C 1 1 20 4567 1 1 21 PHE CA C -5.580 -26.538 -5.204 1.00 . A A . 70 ILE CA 1 1 20 4568 1 1 21 PHE CB C -5.206 -26.872 -3.733 1.00 . A A . 70 ILE CB 1 1 20 4569 1 1 21 PHE CD1 C -7.338 -26.923 -2.439 1.00 . A A . 70 ILE CD1 1 1 20 4570 1 1 21 PHE H H -5.568 -24.437 -4.680 1.00 . A A . 70 ILE H 1 1 20 4571 1 1 21 PHE HA H -4.913 -27.022 -5.853 1.00 . A A . 70 ILE HA 1 1 20 4572 1 1 21 PHE N N -5.438 -25.084 -5.408 1.00 . A A . 70 ILE N 1 1 20 4573 1 1 21 PHE O O -7.219 -28.072 -6.008 1.00 . A A . 70 ILE O 1 1 20 4574 1 1 22 ILE C C -9.366 -26.623 -7.228 1.00 . A A . 71 HIS C 1 1 20 4575 1 1 22 ILE CA C -9.309 -26.378 -5.727 1.00 . A A . 71 HIS CA 1 1 20 4576 1 1 22 ILE CB C -10.209 -25.191 -5.306 1.00 . A A . 71 HIS CB 1 1 20 4577 1 1 22 ILE H H -7.642 -25.144 -5.055 1.00 . A A . 71 HIS H 1 1 20 4578 1 1 22 ILE HA H -9.527 -27.302 -5.229 1.00 . A A . 71 HIS HA 1 1 20 4579 1 1 22 ILE HD11 H -12.444 -23.701 -4.624 1.00 . A A . 71 HIS HD1 1 1 20 4580 1 1 22 ILE HD12 H -11.893 -27.469 -6.305 1.00 . A A . 71 HIS HD2 1 1 20 4581 1 1 22 ILE N N -7.896 -26.038 -5.394 1.00 . A A . 71 HIS N 1 1 20 4582 1 1 22 ILE O O -10.008 -27.534 -7.714 1.00 . A A . 71 HIS O 1 1 20 4583 1 1 23 HIS C C -7.614 -26.898 -9.882 1.00 . A A . 72 PHE C 1 1 20 4584 1 1 23 HIS CA C -8.560 -25.822 -9.388 1.00 . A A . 72 PHE CA 1 1 20 4585 1 1 23 HIS CB C -8.095 -24.438 -9.927 1.00 . A A . 72 PHE CB 1 1 20 4586 1 1 23 HIS CD2 C -9.775 -23.807 -11.708 1.00 . A A . 72 PHE CD2 1 1 20 4587 1 1 23 HIS CE1 C -11.220 -22.258 -9.955 1.00 . A A . 72 PHE CE1 1 1 20 4588 1 1 23 HIS CG C -9.352 -23.693 -10.398 1.00 . A A . 72 PHE CG 1 1 20 4589 1 1 23 HIS H H -8.170 -25.108 -7.360 1.00 . A A . 72 PHE H 1 1 20 4590 1 1 23 HIS HA H -9.538 -26.057 -9.775 1.00 . A A . 72 PHE HA 1 1 20 4591 1 1 23 HIS HB3 H -7.618 -23.853 -9.165 1.00 . A A . 72 PHE HB2 1 1 20 4592 1 1 23 HIS HD1 H -9.760 -22.814 -8.498 1.00 . A A . 72 PHE HD1 1 1 20 4593 1 1 23 HIS HD2 H -9.216 -24.413 -12.407 1.00 . A A . 72 PHE HD2 1 1 20 4594 1 1 23 HIS HE1 H -11.790 -21.649 -9.267 1.00 . A A . 72 PHE HE1 1 1 20 4595 1 1 23 HIS N N -8.650 -25.774 -7.897 1.00 . A A . 72 PHE N 1 1 20 4596 1 1 23 HIS O O -7.955 -27.665 -10.759 1.00 . A A . 72 PHE O 1 1 20 4597 1 1 24 PHE C C -6.008 -29.363 -9.542 1.00 . A A . 73 ARG C 1 1 20 4598 1 1 24 PHE CA C -5.452 -27.957 -9.735 1.00 . A A . 73 ARG CA 1 1 20 4599 1 1 24 PHE CB C -4.154 -27.786 -8.914 1.00 . A A . 73 ARG CB 1 1 20 4600 1 1 24 PHE CG C -3.031 -28.733 -9.410 1.00 . A A . 73 ARG CG 1 1 20 4601 1 1 24 PHE CZ C -2.680 -26.592 -12.408 1.00 . A A . 73 ARG CZ 1 1 20 4602 1 1 24 PHE H H -6.237 -26.288 -8.598 1.00 . A A . 73 ARG H 1 1 20 4603 1 1 24 PHE HA H -5.263 -27.809 -10.788 1.00 . A A . 73 ARG HA 1 1 20 4604 1 1 24 PHE HB3 H -3.803 -26.772 -9.012 1.00 . A A . 73 ARG HB2 1 1 20 4605 1 1 24 PHE HD2 H -1.851 -29.030 -11.218 1.00 . A A . 73 ARG HD2 1 1 20 4606 1 1 24 PHE N N -6.448 -26.932 -9.305 1.00 . A A . 73 ARG N 1 1 20 4607 1 1 24 PHE O O -5.777 -30.219 -10.374 1.00 . A A . 73 ARG O 1 1 20 4608 1 1 25 ARG C C -8.670 -31.072 -8.879 1.00 . A A . 74 ILE C 1 1 20 4609 1 1 25 ARG CA C -7.279 -30.945 -8.240 1.00 . A A . 74 ILE CA 1 1 20 4610 1 1 25 ARG CB C -7.319 -31.178 -6.706 1.00 . A A . 74 ILE CB 1 1 20 4611 1 1 25 ARG H H -6.880 -28.884 -7.794 1.00 . A A . 74 ILE H 1 1 20 4612 1 1 25 ARG HA H -6.632 -31.673 -8.713 1.00 . A A . 74 ILE HA 1 1 20 4613 1 1 25 ARG N N -6.716 -29.584 -8.463 1.00 . A A . 74 ILE N 1 1 20 4614 1 1 25 ARG O O -9.007 -32.126 -9.387 1.00 . A A . 74 ILE O 1 1 20 4615 1 1 26 ILE C C -11.002 -28.967 -10.487 1.00 . A A . 75 GLY C 1 1 20 4616 1 1 26 ILE CA C -10.815 -30.066 -9.445 1.00 . A A . 75 GLY CA 1 1 20 4617 1 1 26 ILE H H -9.134 -29.182 -8.426 1.00 . A A . 75 GLY H 1 1 20 4618 1 1 26 ILE N N -9.445 -30.016 -8.843 1.00 . A A . 75 GLY N 1 1 20 4619 1 1 26 ILE O O -11.013 -29.201 -11.675 1.00 . A A . 75 GLY O 1 1 20 4620 1 1 27 GLY N N -11.160 -27.740 -10.105 1.00 . A A . 76 NH2 N 1 1 stop_ save_
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