NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
450271 | 2rlj | 11004 | cing | 4-filtered-FRED | STAR | entry | full | 129 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2rlj # This FRED archive file contains, for PDB entry <2rlj>: # # - 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_2rlj _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2rlj _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 1574.82 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 $Envelope_glycoprotein A . 1 1 stop_ save_ save_Envelope_glycoprotein _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Envelope glycoprotein" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code GAAIGLAWIPYFGPAA _Entity.Number_of_monomers 16 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 GLY . 1 1 2 ALA . 1 1 3 ALA . 1 1 4 ILE . 1 1 5 GLY . 1 1 6 LEU . 1 1 7 ALA . 1 1 8 TRP . 1 1 9 ILE . 1 1 10 PRO . 1 1 11 TYR . 1 1 12 PHE . 1 1 13 GLY . 1 1 14 PRO . 1 1 15 ALA . 1 1 16 ALA . 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID GLY 1 1 1 1 ALA 2 2 1 1 ALA 3 3 1 1 ILE 4 4 1 1 GLY 5 5 1 1 LEU 6 6 1 1 ALA 7 7 1 1 TRP 8 8 1 1 ILE 9 9 1 1 PRO 10 10 1 1 TYR 11 11 1 1 PHE 12 12 1 1 GLY 13 13 1 1 PRO 14 14 1 1 ALA 15 15 1 1 ALA 16 16 1 1 stop_ 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 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 1 GLY QA . 1 . HA# 1 1 1 1 2 1 1 2 ALA H . 2 . HN 1 1 2 1 1 1 1 1 GLY QA . 1 . HA# 1 1 2 1 2 1 1 3 ALA H . 3 . HN 1 1 3 1 1 1 1 1 GLY QA . 1 . HA# 1 1 3 1 2 1 1 3 ALA MB . 3 . HB# 1 1 4 1 1 1 1 2 ALA H . 2 . HN 1 1 4 1 2 1 1 3 ALA H . 3 . HN 1 1 5 1 1 1 1 2 ALA H . 2 . HN 1 1 5 1 2 1 1 4 ILE H . 4 . HN 1 1 6 1 1 1 1 3 ALA H . 3 . HN 1 1 6 1 2 1 1 3 ALA HA . 3 . HA 1 1 7 1 1 1 1 3 ALA H . 3 . HN 1 1 7 1 2 1 1 3 ALA MB . 3 . HB# 1 1 8 1 1 1 1 3 ALA H . 3 . HN 1 1 8 1 2 1 1 4 ILE H . 4 . HN 1 1 9 1 1 1 1 3 ALA MB . 3 . HB# 1 1 9 1 2 1 1 4 ILE H . 4 . HN 1 1 10 1 1 1 1 4 ILE H . 4 . HN 1 1 10 1 2 1 1 4 ILE HB . 4 . HB 1 1 11 1 1 1 1 4 ILE H . 4 . HN 1 1 11 1 2 1 1 4 ILE MD . 4 . HD1# 1 1 12 1 1 1 1 4 ILE H . 4 . HN 1 1 12 1 2 1 1 4 ILE QG . 4 . HG1# 1 1 13 1 1 1 1 4 ILE H . 4 . HN 1 1 13 1 2 1 1 4 ILE MG . 4 . HG2# 1 1 14 1 1 1 1 4 ILE H . 4 . HN 1 1 14 1 2 1 1 5 GLY H . 5 . HN 1 1 15 1 1 1 1 4 ILE H . 4 . HN 1 1 15 1 2 1 1 6 LEU H . 6 . HN 1 1 16 1 1 1 1 4 ILE HA . 4 . HA 1 1 16 1 2 1 1 4 ILE MD . 4 . HD1# 1 1 17 1 1 1 1 4 ILE HA . 4 . HA 1 1 17 1 2 1 1 4 ILE QG . 4 . HG1# 1 1 18 1 1 1 1 4 ILE HA . 4 . HA 1 1 18 1 2 1 1 5 GLY H . 5 . HN 1 1 19 1 1 1 1 4 ILE HA . 4 . HA 1 1 19 1 2 1 1 6 LEU H . 6 . HN 1 1 20 1 1 1 1 4 ILE HB . 4 . HB 1 1 20 1 2 1 1 4 ILE MD . 4 . HD1# 1 1 21 1 1 1 1 4 ILE HB . 4 . HB 1 1 21 1 2 1 1 5 GLY H . 5 . HN 1 1 22 1 1 1 1 4 ILE MD . 4 . HD1# 1 1 22 1 2 1 1 5 GLY H . 5 . HN 1 1 23 1 1 1 1 4 ILE MD . 4 . HD1# 1 1 23 1 2 1 1 6 LEU H . 6 . HN 1 1 24 1 1 1 1 4 ILE QG . 4 . HG1# 1 1 24 1 2 1 1 4 ILE MG . 4 . HG2# 1 1 25 1 1 1 1 4 ILE QG . 4 . HG1# 1 1 25 1 2 1 1 5 GLY H . 5 . HN 1 1 26 1 1 1 1 4 ILE QG . 4 . HG1# 1 1 26 1 2 1 1 7 ALA H . 7 . HN 1 1 27 1 1 1 1 5 GLY QA . 5 . HA# 1 1 27 1 2 1 1 6 LEU H . 6 . HN 1 1 28 1 1 1 1 5 GLY QA . 5 . HA# 1 1 28 1 2 1 1 7 ALA H . 7 . HN 1 1 29 1 1 1 1 5 GLY QA . 5 . HA# 1 1 29 1 2 1 1 7 ALA MB . 7 . HB# 1 1 30 1 1 1 1 5 GLY QA . 5 . HA# 1 1 30 1 2 1 1 8 TRP HD1 . 8 . HD1 1 1 31 1 1 1 1 6 LEU H . 6 . HN 1 1 31 1 2 1 1 6 LEU HB2 . 6 . HB2 1 1 32 1 1 1 1 6 LEU H . 6 . HN 1 1 32 1 2 1 1 6 LEU HG . 6 . HG 1 1 33 1 1 1 1 6 LEU H . 6 . HN 1 1 33 1 2 1 1 7 ALA H . 7 . HN 1 1 34 1 1 1 1 6 LEU H . 6 . HN 1 1 34 1 2 1 1 8 TRP H . 8 . HN 1 1 35 1 1 1 1 6 LEU HA . 6 . HA 1 1 35 1 2 1 1 6 LEU QD . 6 . HD## 1 1 36 1 1 1 1 6 LEU HA . 6 . HA 1 1 36 1 2 1 1 6 LEU HG . 6 . HG 1 1 37 1 1 1 1 6 LEU HA . 6 . HA 1 1 37 1 2 1 1 7 ALA H . 7 . HN 1 1 38 1 1 1 1 6 LEU HA . 6 . HA 1 1 38 1 2 1 1 8 TRP H . 8 . HN 1 1 39 1 1 1 1 6 LEU HA . 6 . HA 1 1 39 1 2 1 1 8 TRP HD1 . 8 . HD1 1 1 40 1 1 1 1 6 LEU HA . 6 . HA 1 1 40 1 2 1 1 8 TRP HE1 . 8 . HE1 1 1 41 1 1 1 1 6 LEU HA . 6 . HA 1 1 41 1 2 1 1 9 ILE H . 9 . HN 1 1 42 1 1 1 1 6 LEU HA . 6 . HA 1 1 42 1 2 1 1 9 ILE MG . 9 . HG2# 1 1 43 1 1 1 1 6 LEU QB . 6 . HB# 1 1 43 1 2 1 1 8 TRP H . 8 . HN 1 1 44 1 1 1 1 6 LEU HB2 . 6 . HB2 1 1 44 1 2 1 1 6 LEU QD . 6 . HD## 1 1 45 1 1 1 1 6 LEU QD . 6 . HD## 1 1 45 1 2 1 1 8 TRP HE1 . 8 . HE1 1 1 46 1 1 1 1 6 LEU HG . 6 . HG 1 1 46 1 2 1 1 8 TRP HD1 . 8 . HD1 1 1 47 1 1 1 1 7 ALA H . 7 . HN 1 1 47 1 2 1 1 7 ALA MB . 7 . HB# 1 1 48 1 1 1 1 7 ALA H . 7 . HN 1 1 48 1 2 1 1 8 TRP H . 8 . HN 1 1 49 1 1 1 1 7 ALA H . 7 . HN 1 1 49 1 2 1 1 9 ILE H . 9 . HN 1 1 50 1 1 1 1 7 ALA HA . 7 . HA 1 1 50 1 2 1 1 8 TRP H . 8 . HN 1 1 51 1 1 1 1 7 ALA HA . 7 . HA 1 1 51 1 2 1 1 9 ILE H . 9 . HN 1 1 52 1 1 1 1 7 ALA MB . 7 . HB# 1 1 52 1 2 1 1 8 TRP H . 8 . HN 1 1 53 1 1 1 1 7 ALA MB . 7 . HB# 1 1 53 1 2 1 1 9 ILE H . 9 . HN 1 1 54 1 1 1 1 7 ALA MB . 7 . HB# 1 1 54 1 2 1 1 9 ILE MG . 9 . HG2# 1 1 55 1 1 1 1 7 ALA MB . 7 . HB# 1 1 55 1 2 1 1 10 PRO HG2 . 10 . HG2 1 1 56 1 1 1 1 8 TRP H . 8 . HN 1 1 56 1 2 1 1 8 TRP HB3 . 8 . HB1 1 1 57 1 1 1 1 8 TRP H . 8 . HN 1 1 57 1 2 1 1 9 ILE H . 9 . HN 1 1 58 1 1 1 1 8 TRP H . 8 . HN 1 1 58 1 2 1 1 9 ILE MD . 9 . HD1# 1 1 59 1 1 1 1 8 TRP H . 8 . HN 1 1 59 1 2 1 1 9 ILE MG . 9 . HG2# 1 1 60 1 1 1 1 8 TRP H . 8 . HN 1 1 60 1 2 1 1 10 PRO HD3 . 10 . HD1 1 1 61 1 1 1 1 8 TRP HA . 8 . HA 1 1 61 1 2 1 1 8 TRP HD1 . 8 . HD1 1 1 62 1 1 1 1 8 TRP HA . 8 . HA 1 1 62 1 2 1 1 9 ILE H . 9 . HN 1 1 63 1 1 1 1 8 TRP HB2 . 8 . HB2 1 1 63 1 2 1 1 9 ILE H . 9 . HN 1 1 64 1 1 1 1 8 TRP HB3 . 8 . HB1 1 1 64 1 2 1 1 9 ILE H . 9 . HN 1 1 65 1 1 1 1 8 TRP HE3 . 8 . HE3 1 1 65 1 2 1 1 9 ILE HA . 9 . HA 1 1 66 1 1 1 1 8 TRP HE3 . 8 . HE3 1 1 66 1 2 1 1 9 ILE MG . 9 . HG2# 1 1 67 1 1 1 1 8 TRP HH2 . 8 . HH2 1 1 67 1 2 1 1 9 ILE MG . 9 . HG2# 1 1 68 1 1 1 1 8 TRP HZ3 . 8 . HZ3 1 1 68 1 2 1 1 9 ILE HA . 9 . HA 1 1 69 1 1 1 1 8 TRP HZ3 . 8 . HZ3 1 1 69 1 2 1 1 12 PHE H . 12 . HN 1 1 70 1 1 1 1 9 ILE H . 9 . HN 1 1 70 1 2 1 1 9 ILE HB . 9 . HB 1 1 71 1 1 1 1 9 ILE H . 9 . HN 1 1 71 1 2 1 1 9 ILE MD . 9 . HD1# 1 1 72 1 1 1 1 9 ILE H . 9 . HN 1 1 72 1 2 1 1 9 ILE HG12 . 9 . HG12 1 1 73 1 1 1 1 9 ILE H . 9 . HN 1 1 73 1 2 1 1 9 ILE MG . 9 . HG2# 1 1 74 1 1 1 1 9 ILE H . 9 . HN 1 1 74 1 2 1 1 10 PRO HD2 . 10 . HD2 1 1 75 1 1 1 1 9 ILE H . 9 . HN 1 1 75 1 2 1 1 10 PRO HD3 . 10 . HD1 1 1 76 1 1 1 1 9 ILE HA . 9 . HA 1 1 76 1 2 1 1 9 ILE MD . 9 . HD1# 1 1 77 1 1 1 1 9 ILE HA . 9 . HA 1 1 77 1 2 1 1 11 TYR QD . 11 . HD# 1 1 78 1 1 1 1 9 ILE HA . 9 . HA 1 1 78 1 2 1 1 12 PHE HB2 . 12 . HB2 1 1 79 1 1 1 1 9 ILE HB . 9 . HB 1 1 79 1 2 1 1 10 PRO HD3 . 10 . HD1 1 1 80 1 1 1 1 9 ILE HB . 9 . HB 1 1 80 1 2 1 1 12 PHE QD . 12 . HD# 1 1 81 1 1 1 1 9 ILE MD . 9 . HD1# 1 1 81 1 2 1 1 9 ILE MG . 9 . HG2# 1 1 82 1 1 1 1 9 ILE HG12 . 9 . HG12 1 1 82 1 2 1 1 10 PRO HD2 . 10 . HD2 1 1 83 1 1 1 1 9 ILE HG12 . 9 . HG12 1 1 83 1 2 1 1 10 PRO HD3 . 10 . HD1 1 1 84 1 1 1 1 9 ILE HG12 . 9 . HG12 1 1 84 1 2 1 1 11 TYR H . 11 . HN 1 1 85 1 1 1 1 9 ILE HG12 . 9 . HG12 1 1 85 1 2 1 1 11 TYR QB . 11 . HB# 1 1 86 1 1 1 1 9 ILE HG12 . 9 . HG12 1 1 86 1 2 1 1 12 PHE H . 12 . HN 1 1 87 1 1 1 1 9 ILE HG12 . 9 . HG12 1 1 87 1 2 1 1 12 PHE QD . 12 . HD# 1 1 88 1 1 1 1 9 ILE HG13 . 9 . HG11 1 1 88 1 2 1 1 9 ILE MG . 9 . HG2# 1 1 89 1 1 1 1 9 ILE MG . 9 . HG2# 1 1 89 1 2 1 1 12 PHE QD . 12 . HD# 1 1 90 1 1 1 1 10 PRO HA . 10 . HA 1 1 90 1 2 1 1 10 PRO HG3 . 10 . HG1 1 1 91 1 1 1 1 10 PRO HA . 10 . HA 1 1 91 1 2 1 1 11 TYR H . 11 . HN 1 1 92 1 1 1 1 10 PRO HA . 10 . HA 1 1 92 1 2 1 1 13 GLY H . 13 . HN 1 1 93 1 1 1 1 10 PRO HB2 . 10 . HB2 1 1 93 1 2 1 1 10 PRO HD3 . 10 . HD1 1 1 94 1 1 1 1 10 PRO HB2 . 10 . HB2 1 1 94 1 2 1 1 10 PRO HG3 . 10 . HG1 1 1 95 1 1 1 1 10 PRO HB2 . 10 . HB2 1 1 95 1 2 1 1 12 PHE H . 12 . HN 1 1 96 1 1 1 1 10 PRO HD2 . 10 . HD2 1 1 96 1 2 1 1 11 TYR H . 11 . HN 1 1 97 1 1 1 1 10 PRO HG2 . 10 . HG2 1 1 97 1 2 1 1 11 TYR H . 11 . HN 1 1 98 1 1 1 1 10 PRO HG2 . 10 . HG2 1 1 98 1 2 1 1 12 PHE H . 12 . HN 1 1 99 1 1 1 1 10 PRO HG3 . 10 . HG1 1 1 99 1 2 1 1 11 TYR QD . 11 . HD# 1 1 100 1 1 1 1 11 TYR H . 11 . HN 1 1 100 1 2 1 1 11 TYR HB2 . 11 . HB2 1 1 101 1 1 1 1 11 TYR H . 11 . HN 1 1 101 1 2 1 1 11 TYR HB3 . 11 . HB1 1 1 102 1 1 1 1 11 TYR H . 11 . HN 1 1 102 1 2 1 1 11 TYR QD . 11 . HD# 1 1 103 1 1 1 1 11 TYR H . 11 . HN 1 1 103 1 2 1 1 12 PHE H . 12 . HN 1 1 104 1 1 1 1 11 TYR HA . 11 . HA 1 1 104 1 2 1 1 11 TYR QD . 11 . HD# 1 1 105 1 1 1 1 11 TYR HA . 11 . HA 1 1 105 1 2 1 1 12 PHE H . 12 . HN 1 1 106 1 1 1 1 11 TYR QB . 11 . HB# 1 1 106 1 2 1 1 13 GLY H . 13 . HN 1 1 107 1 1 1 1 11 TYR HB3 . 11 . HB1 1 1 107 1 2 1 1 12 PHE QD . 12 . HD# 1 1 108 1 1 1 1 11 TYR QD . 11 . HD# 1 1 108 1 2 1 1 12 PHE H . 12 . HN 1 1 109 1 1 1 1 11 TYR QD . 11 . HD# 1 1 109 1 2 1 1 12 PHE QD . 12 . HD# 1 1 110 1 1 1 1 11 TYR QD . 11 . HD# 1 1 110 1 2 1 1 13 GLY H . 13 . HN 1 1 111 1 1 1 1 12 PHE H . 12 . HN 1 1 111 1 2 1 1 12 PHE HB2 . 12 . HB2 1 1 112 1 1 1 1 12 PHE H . 12 . HN 1 1 112 1 2 1 1 12 PHE HB3 . 12 . HB1 1 1 113 1 1 1 1 12 PHE H . 12 . HN 1 1 113 1 2 1 1 12 PHE QD . 12 . HD# 1 1 114 1 1 1 1 12 PHE H . 12 . HN 1 1 114 1 2 1 1 13 GLY H . 13 . HN 1 1 115 1 1 1 1 12 PHE H . 12 . HN 1 1 115 1 2 1 1 14 PRO QD . 14 . HD# 1 1 116 1 1 1 1 12 PHE HA . 12 . HA 1 1 116 1 2 1 1 12 PHE QD . 12 . HD# 1 1 117 1 1 1 1 12 PHE HA . 12 . HA 1 1 117 1 2 1 1 13 GLY H . 13 . HN 1 1 118 1 1 1 1 12 PHE HB2 . 12 . HB2 1 1 118 1 2 1 1 13 GLY H . 13 . HN 1 1 119 1 1 1 1 12 PHE HB3 . 12 . HB1 1 1 119 1 2 1 1 13 GLY H . 13 . HN 1 1 120 1 1 1 1 12 PHE QD . 12 . HD# 1 1 120 1 2 1 1 13 GLY H . 13 . HN 1 1 121 1 1 1 1 13 GLY H . 13 . HN 1 1 121 1 2 1 1 14 PRO QD . 14 . HD# 1 1 122 1 1 1 1 13 GLY QA . 13 . HA# 1 1 122 1 2 1 1 14 PRO QB . 14 . HB# 1 1 123 1 1 1 1 14 PRO HA . 14 . HA 1 1 123 1 2 1 1 14 PRO QD . 14 . HD# 1 1 124 1 1 1 1 14 PRO HA . 14 . HA 1 1 124 1 2 1 1 14 PRO QG . 14 . HG# 1 1 125 1 1 1 1 14 PRO HA . 14 . HA 1 1 125 1 2 1 1 15 ALA H . 15 . HN 1 1 126 1 1 1 1 14 PRO HA . 14 . HA 1 1 126 1 2 1 1 15 ALA MB . 15 . HB# 1 1 127 1 1 1 1 14 PRO QB . 14 . HB# 1 1 127 1 2 1 1 14 PRO QD . 14 . HD# 1 1 128 1 1 1 1 14 PRO QD . 14 . HD# 1 1 128 1 2 1 1 15 ALA H . 15 . HN 1 1 129 1 1 1 1 15 ALA HA . 15 . HA 1 1 129 1 2 1 1 16 ALA H . 16 . 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 . . . . . 4.301 1.8 5.0 1 1 2 1 . . . . . 4.426 1.8 5.0 1 1 3 1 . . . . . 4.319 1.8 5.0 1 1 4 1 . . . . . 3.694 1.8 5.0 1 1 5 1 . . . . . 4.869 1.8 5.0 1 1 6 1 . . . . . 2.976 1.8 3.4 1 1 7 1 . . . . . 3.038 1.8 3.4 1 1 8 1 . . . . . 3.27 1.8 3.4 1 1 9 1 . . . . . 3.735 1.8 5.0 1 1 10 1 . . . . . 3.236 1.8 3.4 1 1 11 1 . . . . . 3.901 1.8 5.0 1 1 12 1 . . . . . 3.437 1.8 5.0 1 1 13 1 . . . . . 3.68 1.8 5.0 1 1 14 1 . . . . . 2.97 1.8 3.4 1 1 15 1 . . . . . 3.058 1.8 3.4 1 1 16 1 . . . . . 4.076 1.8 5.0 1 1 17 1 . . . . . 3.671 1.8 5.0 1 1 18 1 . . . . . 3.27 1.8 3.4 1 1 19 1 . . . . . 3.907 1.8 5.0 1 1 20 1 . . . . . 3.273 1.8 3.4 1 1 21 1 . . . . . 3.666 1.8 5.0 1 1 22 1 . . . . . 4.241 1.8 5.0 1 1 23 1 . . . . . 4.294 1.665 4.865 1 1 24 1 . . . . . 2.992 1.8 3.4 1 1 25 1 . . . . . 4.152 1.8 5.0 1 1 26 1 . . . . . 4.064 1.8 5.0 1 1 27 1 . . . . . 3.206 1.8 3.4 1 1 28 1 . . . . . 3.986 1.8 5.0 1 1 29 1 . . . . . 4.319 1.8 5.0 1 1 30 1 . . . . . 3.997 1.8 5.5 1 1 31 1 . . . . . 3.369 1.8 3.4 1 1 32 1 . . . . . 3.401 1.8 5.0 1 1 33 1 . . . . . 3.146 1.8 3.4 1 1 34 1 . . . . . 3.977 1.8 5.5 1 1 35 1 . . . . . 4.063 1.8 5.0 1 1 36 1 . . . . . 4.023 1.8 5.0 1 1 37 1 . . . . . 3.335 1.8 3.4 1 1 38 1 . . . . . 3.943 1.8 5.5 1 1 39 1 . . . . . 3.597 1.8 5.5 1 1 40 1 . . . . . 3.958 1.8 5.5 1 1 41 1 . . . . . 4.82 1.8 5.0 1 1 42 1 . . . . . 4.376 1.8 5.0 1 1 43 1 . . . . . 4.679 1.8 5.5 1 1 44 1 . . . . . 3.06 1.8 3.4 1 1 45 1 . . . . . 4.68 1.8 5.5 1 1 46 1 . . . . . 3.423 1.8 5.5 1 1 47 1 . . . . . 3.142 1.8 3.4 1 1 48 1 . . . . . 3.283 1.8 3.8 1 1 49 1 . . . . . 4.876 1.8 5.0 1 1 50 1 . . . . . 3.397 1.8 3.9 1 1 51 1 . . . . . 4.347 1.8 5.0 1 1 52 1 . . . . . 3.713 1.8 5.5 1 1 53 1 . . . . . 4.667 1.8 5.0 1 1 54 1 . . . . . 4.331 1.8 5.0 1 1 55 1 . . . . . 4.905 1.8 5.0 1 1 56 1 . . . . . 3.426 1.8 5.5 1 1 57 1 . . . . . 3.332 1.8 3.9 1 1 58 1 . . . . . 4.845 1.8 5.5 1 1 59 1 . . . . . 4.644 1.8 5.5 1 1 60 1 . . . . . 4.697 1.8 5.5 1 1 61 1 . . . . . 3.43 1.8 5.5 1 1 62 1 . . . . . 3.72 1.8 5.5 1 1 63 1 . . . . . 4.517 1.8 5.0 1 1 64 1 . . . . . 4.517 1.8 5.5 1 1 65 1 . . . . . 3.697 1.8 5.5 1 1 66 1 . . . . . 5.0 1.8 5.5 1 1 67 1 . . . . . 4.813 1.8 5.5 1 1 68 1 . . . . . 4.282 1.8 5.5 1 1 69 1 . . . . . 4.74 1.8 6.0 1 1 70 1 . . . . . 3.438 1.8 5.0 1 1 71 1 . . . . . 4.288 1.8 5.0 1 1 72 1 . . . . . 3.885 1.8 5.0 1 1 73 1 . . . . . 4.549 1.8 5.0 1 1 74 1 . . . . . 4.327 1.8 5.0 1 1 75 1 . . . . . 4.086 1.8 5.0 1 1 76 1 . . . . . 4.279 1.8 5.0 1 1 77 1 . . . . . 4.38 1.8 5.5 1 1 78 1 . . . . . 4.425 1.8 5.5 1 1 79 1 . . . . . 3.937 1.8 5.0 1 1 80 1 . . . . . 4.367 1.8 5.5 1 1 81 1 . . . . . 3.085 1.8 3.4 1 1 82 1 . . . . . 3.601 1.8 5.0 1 1 83 1 . . . . . 4.261 1.8 5.0 1 1 84 1 . . . . . 3.474 1.8 5.5 1 1 85 1 . . . . . 4.392 1.8 5.5 1 1 86 1 . . . . . 3.978 1.8 5.5 1 1 87 1 . . . . . 3.271 1.8 3.9 1 1 88 1 . . . . . 2.959 1.8 3.4 1 1 89 1 . . . . . 4.236 1.8 5.5 1 1 90 1 . . . . . 3.722 1.8 5.0 1 1 91 1 . . . . . 3.087 1.8 3.9 1 1 92 1 . . . . . 3.047 1.8 3.4 1 1 93 1 . . . . . 3.597 1.8 5.0 1 1 94 1 . . . . . 2.627 1.8 2.8 1 1 95 1 . . . . . 4.284 1.8 5.5 1 1 96 1 . . . . . 4.149 1.8 5.5 1 1 97 1 . . . . . 4.461 1.8 5.5 1 1 98 1 . . . . . 4.283 1.8 5.5 1 1 99 1 . . . . . 4.381 1.8 5.5 1 1 100 1 . . . . . 3.564 1.8 5.5 1 1 101 1 . . . . . 3.437 1.8 5.5 1 1 102 1 . . . . . 4.058 1.8 5.5 1 1 103 1 . . . . . 3.628 1.8 5.5 1 1 104 1 . . . . . 3.223 1.8 3.9 1 1 105 1 . . . . . 3.139 1.8 3.9 1 1 106 1 . . . . . 4.567 1.8 5.5 1 1 107 1 . . . . . 4.316 1.8 5.5 1 1 108 1 . . . . . 4.192 1.8 5.5 1 1 109 1 . . . . . 3.646 1.8 5.5 1 1 110 1 . . . . . 4.543 1.8 5.5 1 1 111 1 . . . . . 3.781 1.8 5.5 1 1 112 1 . . . . . 3.487 1.8 5.5 1 1 113 1 . . . . . 3.582 1.8 5.5 1 1 114 1 . . . . . 3.197 1.8 3.9 1 1 115 1 . . . . . 4.701 1.8 5.5 1 1 116 1 . . . . . 3.144 1.8 3.9 1 1 117 1 . . . . . 3.457 1.8 5.0 1 1 118 1 . . . . . 4.079 1.8 5.5 1 1 119 1 . . . . . 4.11 1.8 5.5 1 1 120 1 . . . . . 3.695 1.8 5.5 1 1 121 1 . . . . . 4.386 1.8 5.0 1 1 122 1 . . . . . 4.16 1.8 5.0 1 1 123 1 . . . . . 4.066 1.8 5.0 1 1 124 1 . . . . . 3.63 1.8 5.0 1 1 125 1 . . . . . 4.06 1.8 5.0 1 1 126 1 . . . . . 4.827 1.8 5.0 1 1 127 1 . . . . . . 1.8 3.4 1 1 128 1 . . . . . 4.735 1.8 5.0 1 1 129 1 . . . . . 3.359 1.8 3.4 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 GLY C C -5.231 0.494 -10.118 1.00 . A A . 1 GLY C 1 1 1 2 1 1 1 GLY CA C -6.183 -0.594 -10.578 1.00 . A A . 1 GLY CA 1 1 1 3 1 1 1 GLY H1 H -4.500 -1.834 -10.577 1.00 . A A . 1 GLY H1 1 1 1 4 1 1 1 GLY H2 H -5.783 -2.419 -11.511 1.00 . A A . 1 GLY H2 1 1 1 5 1 1 1 GLY H3 H -5.855 -2.515 -9.825 1.00 . A A . 1 GLY H3 1 1 1 6 1 1 1 GLY HA2 H -6.545 -0.346 -11.564 1.00 . A A . 1 GLY HA2 1 1 1 7 1 1 1 GLY HA3 H -7.019 -0.635 -9.897 1.00 . A A . 1 GLY HA3 1 1 1 8 1 1 1 GLY N N -5.535 -1.934 -10.627 1.00 . A A . 1 GLY N 1 1 1 9 1 1 1 GLY O O -5.197 1.583 -10.695 1.00 . A A . 1 GLY O 1 1 1 10 1 1 2 ALA C C -4.205 2.421 -8.052 1.00 . A A . 2 ALA C 1 1 1 11 1 1 2 ALA CA C -3.501 1.161 -8.543 1.00 . A A . 2 ALA CA 1 1 1 12 1 1 2 ALA CB C -2.459 1.511 -9.592 1.00 . A A . 2 ALA CB 1 1 1 13 1 1 2 ALA H H -4.531 -0.685 -8.664 1.00 . A A . 2 ALA H 1 1 1 14 1 1 2 ALA HA H -2.994 0.696 -7.708 1.00 . A A . 2 ALA HA 1 1 1 15 1 1 2 ALA HB1 H -2.139 0.611 -10.097 1.00 . A A . 2 ALA HB1 1 1 1 16 1 1 2 ALA HB2 H -1.610 1.978 -9.116 1.00 . A A . 2 ALA HB2 1 1 1 17 1 1 2 ALA HB3 H -2.888 2.193 -10.312 1.00 . A A . 2 ALA HB3 1 1 1 18 1 1 2 ALA N N -4.458 0.201 -9.079 1.00 . A A . 2 ALA N 1 1 1 19 1 1 2 ALA O O -3.641 3.514 -8.090 1.00 . A A . 2 ALA O 1 1 1 20 1 1 3 ALA C C -6.324 3.352 -5.571 1.00 . A A . 3 ALA C 1 1 1 21 1 1 3 ALA CA C -6.221 3.388 -7.091 1.00 . A A . 3 ALA CA 1 1 1 22 1 1 3 ALA CB C -7.608 3.386 -7.716 1.00 . A A . 3 ALA CB 1 1 1 23 1 1 3 ALA H H -5.838 1.366 -7.585 1.00 . A A . 3 ALA H 1 1 1 24 1 1 3 ALA HA H -5.720 4.297 -7.387 1.00 . A A . 3 ALA HA 1 1 1 25 1 1 3 ALA HB1 H -8.320 2.976 -7.015 1.00 . A A . 3 ALA HB1 1 1 1 26 1 1 3 ALA HB2 H -7.599 2.785 -8.613 1.00 . A A . 3 ALA HB2 1 1 1 27 1 1 3 ALA HB3 H -7.892 4.399 -7.966 1.00 . A A . 3 ALA HB3 1 1 1 28 1 1 3 ALA N N -5.441 2.261 -7.590 1.00 . A A . 3 ALA N 1 1 1 29 1 1 3 ALA O O -5.734 4.182 -4.879 1.00 . A A . 3 ALA O 1 1 1 30 1 1 4 ILE C C -7.304 0.773 -3.210 1.00 . A A . 4 ILE C 1 1 1 31 1 1 4 ILE CA C -7.254 2.240 -3.616 1.00 . A A . 4 ILE CA 1 1 1 32 1 1 4 ILE CB C -8.537 2.946 -3.132 1.00 . A A . 4 ILE CB 1 1 1 33 1 1 4 ILE CD1 C -7.536 3.415 -0.840 1.00 . A A . 4 ILE CD1 1 1 1 34 1 1 4 ILE CG1 C -8.685 2.808 -1.615 1.00 . A A . 4 ILE CG1 1 1 1 35 1 1 4 ILE CG2 C -9.756 2.374 -3.842 1.00 . A A . 4 ILE CG2 1 1 1 36 1 1 4 ILE H H -7.521 1.753 -5.659 1.00 . A A . 4 ILE H 1 1 1 37 1 1 4 ILE HA H -6.413 2.700 -3.134 1.00 . A A . 4 ILE HA 1 1 1 38 1 1 4 ILE HB H -8.462 3.993 -3.387 1.00 . A A . 4 ILE HB 1 1 1 39 1 1 4 ILE HD11 H -7.919 3.936 0.024 1.00 . A A . 4 ILE HD11 1 1 1 40 1 1 4 ILE HD12 H -7.002 4.110 -1.471 1.00 . A A . 4 ILE HD12 1 1 1 41 1 1 4 ILE HD13 H -6.865 2.631 -0.520 1.00 . A A . 4 ILE HD13 1 1 1 42 1 1 4 ILE HG12 H -9.592 3.302 -1.301 1.00 . A A . 4 ILE HG12 1 1 1 43 1 1 4 ILE HG13 H -8.743 1.761 -1.359 1.00 . A A . 4 ILE HG13 1 1 1 44 1 1 4 ILE HG21 H -9.499 2.140 -4.865 1.00 . A A . 4 ILE HG21 1 1 1 45 1 1 4 ILE HG22 H -10.554 3.102 -3.829 1.00 . A A . 4 ILE HG22 1 1 1 46 1 1 4 ILE HG23 H -10.077 1.476 -3.338 1.00 . A A . 4 ILE HG23 1 1 1 47 1 1 4 ILE N N -7.076 2.384 -5.055 1.00 . A A . 4 ILE N 1 1 1 48 1 1 4 ILE O O -6.713 0.372 -2.208 1.00 . A A . 4 ILE O 1 1 1 49 1 1 5 GLY C C -6.790 -2.119 -3.561 1.00 . A A . 5 GLY C 1 1 1 50 1 1 5 GLY CA C -8.137 -1.438 -3.717 1.00 . A A . 5 GLY CA 1 1 1 51 1 1 5 GLY H H -8.457 0.368 -4.778 1.00 . A A . 5 GLY H 1 1 1 52 1 1 5 GLY HA2 H -8.702 -1.565 -2.804 1.00 . A A . 5 GLY HA2 1 1 1 53 1 1 5 GLY HA3 H -8.674 -1.908 -4.529 1.00 . A A . 5 GLY HA3 1 1 1 54 1 1 5 GLY N N -8.014 -0.018 -3.998 1.00 . A A . 5 GLY N 1 1 1 55 1 1 5 GLY O O -6.687 -3.163 -2.917 1.00 . A A . 5 GLY O 1 1 1 56 1 1 6 LEU C C -3.454 -1.077 -3.422 1.00 . A A . 6 LEU C 1 1 1 57 1 1 6 LEU CA C -4.410 -2.076 -4.069 1.00 . A A . 6 LEU CA 1 1 1 58 1 1 6 LEU CB C -3.910 -2.455 -5.467 1.00 . A A . 6 LEU CB 1 1 1 59 1 1 6 LEU CD1 C -2.489 -4.370 -4.697 1.00 . A A . 6 LEU CD1 1 1 1 60 1 1 6 LEU CD2 C -2.108 -3.362 -6.953 1.00 . A A . 6 LEU CD2 1 1 1 61 1 1 6 LEU CG C -2.518 -3.088 -5.514 1.00 . A A . 6 LEU CG 1 1 1 62 1 1 6 LEU H H -5.902 -0.693 -4.645 1.00 . A A . 6 LEU H 1 1 1 63 1 1 6 LEU HA H -4.450 -2.966 -3.457 1.00 . A A . 6 LEU HA 1 1 1 64 1 1 6 LEU HB2 H -4.615 -3.149 -5.901 1.00 . A A . 6 LEU HB2 1 1 1 65 1 1 6 LEU HB3 H -3.894 -1.560 -6.073 1.00 . A A . 6 LEU HB3 1 1 1 66 1 1 6 LEU HD11 H -3.488 -4.773 -4.622 1.00 . A A . 6 LEU HD11 1 1 1 67 1 1 6 LEU HD12 H -2.111 -4.159 -3.708 1.00 . A A . 6 LEU HD12 1 1 1 68 1 1 6 LEU HD13 H -1.846 -5.092 -5.181 1.00 . A A . 6 LEU HD13 1 1 1 69 1 1 6 LEU HD21 H -1.050 -3.573 -6.991 1.00 . A A . 6 LEU HD21 1 1 1 70 1 1 6 LEU HD22 H -2.324 -2.495 -7.561 1.00 . A A . 6 LEU HD22 1 1 1 71 1 1 6 LEU HD23 H -2.659 -4.211 -7.330 1.00 . A A . 6 LEU HD23 1 1 1 72 1 1 6 LEU HG H -1.802 -2.403 -5.085 1.00 . A A . 6 LEU HG 1 1 1 73 1 1 6 LEU N N -5.755 -1.524 -4.148 1.00 . A A . 6 LEU N 1 1 1 74 1 1 6 LEU O O -2.504 -0.611 -4.050 1.00 . A A . 6 LEU O 1 1 1 75 1 1 7 ALA C C -2.292 -0.428 -0.180 1.00 . A A . 7 ALA C 1 1 1 76 1 1 7 ALA CA C -2.884 0.205 -1.433 1.00 . A A . 7 ALA CA 1 1 1 77 1 1 7 ALA CB C -3.688 1.441 -1.069 1.00 . A A . 7 ALA CB 1 1 1 78 1 1 7 ALA H H -4.494 -1.143 -1.714 1.00 . A A . 7 ALA H 1 1 1 79 1 1 7 ALA HA H -2.079 0.509 -2.085 1.00 . A A . 7 ALA HA 1 1 1 80 1 1 7 ALA HB1 H -3.280 1.882 -0.173 1.00 . A A . 7 ALA HB1 1 1 1 81 1 1 7 ALA HB2 H -4.718 1.163 -0.898 1.00 . A A . 7 ALA HB2 1 1 1 82 1 1 7 ALA HB3 H -3.637 2.154 -1.879 1.00 . A A . 7 ALA HB3 1 1 1 83 1 1 7 ALA N N -3.719 -0.744 -2.162 1.00 . A A . 7 ALA N 1 1 1 84 1 1 7 ALA O O -2.274 0.180 0.891 1.00 . A A . 7 ALA O 1 1 1 85 1 1 8 TRP C C 0.208 -2.828 0.424 1.00 . A A . 8 TRP C 1 1 1 86 1 1 8 TRP CA C -1.196 -2.375 0.791 1.00 . A A . 8 TRP CA 1 1 1 87 1 1 8 TRP CB C -2.027 -3.606 1.146 1.00 . A A . 8 TRP CB 1 1 1 88 1 1 8 TRP CD1 C -3.052 -4.436 -1.052 1.00 . A A . 8 TRP CD1 1 1 1 89 1 1 8 TRP CD2 C -1.373 -5.697 -0.279 1.00 . A A . 8 TRP CD2 1 1 1 90 1 1 8 TRP CE2 C -1.843 -6.263 -1.478 1.00 . A A . 8 TRP CE2 1 1 1 91 1 1 8 TRP CE3 C -0.311 -6.313 0.387 1.00 . A A . 8 TRP CE3 1 1 1 92 1 1 8 TRP CG C -2.178 -4.546 -0.009 1.00 . A A . 8 TRP CG 1 1 1 93 1 1 8 TRP CH2 C -0.238 -7.991 -1.358 1.00 . A A . 8 TRP CH2 1 1 1 94 1 1 8 TRP CZ2 C -1.281 -7.413 -2.027 1.00 . A A . 8 TRP CZ2 1 1 1 95 1 1 8 TRP CZ3 C 0.248 -7.451 -0.159 1.00 . A A . 8 TRP CZ3 1 1 1 96 1 1 8 TRP H H -1.840 -2.082 -1.207 1.00 . A A . 8 TRP H 1 1 1 97 1 1 8 TRP HA H -1.149 -1.714 1.642 1.00 . A A . 8 TRP HA 1 1 1 98 1 1 8 TRP HB2 H -1.546 -4.139 1.956 1.00 . A A . 8 TRP HB2 1 1 1 99 1 1 8 TRP HB3 H -3.016 -3.292 1.457 1.00 . A A . 8 TRP HB3 1 1 1 100 1 1 8 TRP HD1 H -3.793 -3.656 -1.144 1.00 . A A . 8 TRP HD1 1 1 1 101 1 1 8 TRP HE1 H -3.393 -5.633 -2.743 1.00 . A A . 8 TRP HE1 1 1 1 102 1 1 8 TRP HE3 H 0.078 -5.911 1.311 1.00 . A A . 8 TRP HE3 1 1 1 103 1 1 8 TRP HH2 H 0.230 -8.881 -1.750 1.00 . A A . 8 TRP HH2 1 1 1 104 1 1 8 TRP HZ2 H -1.644 -7.842 -2.950 1.00 . A A . 8 TRP HZ2 1 1 1 105 1 1 8 TRP HZ3 H 1.076 -7.935 0.338 1.00 . A A . 8 TRP HZ3 1 1 1 106 1 1 8 TRP N N -1.801 -1.652 -0.324 1.00 . A A . 8 TRP N 1 1 1 107 1 1 8 TRP NE1 N -2.874 -5.480 -1.927 1.00 . A A . 8 TRP NE1 1 1 1 108 1 1 8 TRP O O 1.105 -2.886 1.266 1.00 . A A . 8 TRP O 1 1 1 109 1 1 9 ILE C C 2.764 -2.596 -1.263 1.00 . A A . 9 ILE C 1 1 1 110 1 1 9 ILE CA C 1.648 -3.643 -1.362 1.00 . A A . 9 ILE CA 1 1 1 111 1 1 9 ILE CB C 1.518 -4.101 -2.821 1.00 . A A . 9 ILE CB 1 1 1 112 1 1 9 ILE CD1 C 2.835 -5.035 -4.780 1.00 . A A . 9 ILE CD1 1 1 1 113 1 1 9 ILE CG1 C 2.846 -4.675 -3.312 1.00 . A A . 9 ILE CG1 1 1 1 114 1 1 9 ILE CG2 C 1.064 -2.950 -3.705 1.00 . A A . 9 ILE CG2 1 1 1 115 1 1 9 ILE H H -0.387 -3.110 -1.458 1.00 . A A . 9 ILE H 1 1 1 116 1 1 9 ILE HA H 1.936 -4.500 -0.773 1.00 . A A . 9 ILE HA 1 1 1 117 1 1 9 ILE HB H 0.765 -4.874 -2.866 1.00 . A A . 9 ILE HB 1 1 1 118 1 1 9 ILE HD11 H 3.613 -4.489 -5.290 1.00 . A A . 9 ILE HD11 1 1 1 119 1 1 9 ILE HD12 H 1.875 -4.772 -5.202 1.00 . A A . 9 ILE HD12 1 1 1 120 1 1 9 ILE HD13 H 3.001 -6.095 -4.893 1.00 . A A . 9 ILE HD13 1 1 1 121 1 1 9 ILE HG12 H 3.630 -3.951 -3.145 1.00 . A A . 9 ILE HG12 1 1 1 122 1 1 9 ILE HG13 H 3.068 -5.572 -2.752 1.00 . A A . 9 ILE HG13 1 1 1 123 1 1 9 ILE HG21 H 1.862 -2.229 -3.798 1.00 . A A . 9 ILE HG21 1 1 1 124 1 1 9 ILE HG22 H 0.200 -2.475 -3.262 1.00 . A A . 9 ILE HG22 1 1 1 125 1 1 9 ILE HG23 H 0.803 -3.328 -4.683 1.00 . A A . 9 ILE HG23 1 1 1 126 1 1 9 ILE N N 0.376 -3.168 -0.848 1.00 . A A . 9 ILE N 1 1 1 127 1 1 9 ILE O O 3.911 -2.958 -1.018 1.00 . A A . 9 ILE O 1 1 1 128 1 1 10 PRO C C 4.486 -0.463 -0.244 1.00 . A A . 10 PRO C 1 1 1 129 1 1 10 PRO CA C 3.492 -0.232 -1.381 1.00 . A A . 10 PRO CA 1 1 1 130 1 1 10 PRO CB C 2.677 1.052 -1.139 1.00 . A A . 10 PRO CB 1 1 1 131 1 1 10 PRO CD C 1.164 -0.701 -1.769 1.00 . A A . 10 PRO CD 1 1 1 132 1 1 10 PRO CG C 1.244 0.623 -1.068 1.00 . A A . 10 PRO CG 1 1 1 133 1 1 10 PRO HA H 4.033 -0.144 -2.313 1.00 . A A . 10 PRO HA 1 1 1 134 1 1 10 PRO HB2 H 2.995 1.510 -0.214 1.00 . A A . 10 PRO HB2 1 1 1 135 1 1 10 PRO HB3 H 2.840 1.738 -1.958 1.00 . A A . 10 PRO HB3 1 1 1 136 1 1 10 PRO HD2 H 0.358 -1.289 -1.370 1.00 . A A . 10 PRO HD2 1 1 1 137 1 1 10 PRO HD3 H 1.046 -0.561 -2.835 1.00 . A A . 10 PRO HD3 1 1 1 138 1 1 10 PRO HG2 H 0.948 0.515 -0.036 1.00 . A A . 10 PRO HG2 1 1 1 139 1 1 10 PRO HG3 H 0.619 1.349 -1.565 1.00 . A A . 10 PRO HG3 1 1 1 140 1 1 10 PRO N N 2.471 -1.284 -1.458 1.00 . A A . 10 PRO N 1 1 1 141 1 1 10 PRO O O 5.640 -0.043 -0.320 1.00 . A A . 10 PRO O 1 1 1 142 1 1 11 TYR C C 6.074 -2.301 1.508 1.00 . A A . 11 TYR C 1 1 1 143 1 1 11 TYR CA C 4.877 -1.460 1.940 1.00 . A A . 11 TYR CA 1 1 1 144 1 1 11 TYR CB C 4.079 -2.207 3.011 1.00 . A A . 11 TYR CB 1 1 1 145 1 1 11 TYR CD1 C 1.988 -0.769 3.040 1.00 . A A . 11 TYR CD1 1 1 1 146 1 1 11 TYR CD2 C 3.142 -1.134 5.093 1.00 . A A . 11 TYR CD2 1 1 1 147 1 1 11 TYR CE1 C 1.056 0.009 3.699 1.00 . A A . 11 TYR CE1 1 1 1 148 1 1 11 TYR CE2 C 2.213 -0.358 5.759 1.00 . A A . 11 TYR CE2 1 1 1 149 1 1 11 TYR CG C 3.049 -1.355 3.726 1.00 . A A . 11 TYR CG 1 1 1 150 1 1 11 TYR CZ C 1.172 0.211 5.058 1.00 . A A . 11 TYR CZ 1 1 1 151 1 1 11 TYR H H 3.107 -1.470 0.792 1.00 . A A . 11 TYR H 1 1 1 152 1 1 11 TYR HA H 5.235 -0.529 2.353 1.00 . A A . 11 TYR HA 1 1 1 153 1 1 11 TYR HB2 H 3.558 -3.031 2.543 1.00 . A A . 11 TYR HB2 1 1 1 154 1 1 11 TYR HB3 H 4.760 -2.596 3.751 1.00 . A A . 11 TYR HB3 1 1 1 155 1 1 11 TYR HD1 H 1.895 -0.927 1.978 1.00 . A A . 11 TYR HD1 1 1 1 156 1 1 11 TYR HD2 H 3.959 -1.580 5.642 1.00 . A A . 11 TYR HD2 1 1 1 157 1 1 11 TYR HE1 H 0.240 0.455 3.150 1.00 . A A . 11 TYR HE1 1 1 1 158 1 1 11 TYR HE2 H 2.305 -0.200 6.823 1.00 . A A . 11 TYR HE2 1 1 1 159 1 1 11 TYR HH H 0.049 0.594 6.571 1.00 . A A . 11 TYR HH 1 1 1 160 1 1 11 TYR N N 4.031 -1.150 0.798 1.00 . A A . 11 TYR N 1 1 1 161 1 1 11 TYR O O 7.185 -2.123 2.007 1.00 . A A . 11 TYR O 1 1 1 162 1 1 11 TYR OH O 0.245 0.986 5.717 1.00 . A A . 11 TYR OH 1 1 1 163 1 1 12 PHE C C 7.676 -3.374 -1.046 1.00 . A A . 12 PHE C 1 1 1 164 1 1 12 PHE CA C 6.895 -4.077 0.061 1.00 . A A . 12 PHE CA 1 1 1 165 1 1 12 PHE CB C 6.317 -5.391 -0.472 1.00 . A A . 12 PHE CB 1 1 1 166 1 1 12 PHE CD1 C 4.355 -5.691 1.071 1.00 . A A . 12 PHE CD1 1 1 1 167 1 1 12 PHE CD2 C 6.016 -7.401 0.999 1.00 . A A . 12 PHE CD2 1 1 1 168 1 1 12 PHE CE1 C 3.650 -6.413 2.015 1.00 . A A . 12 PHE CE1 1 1 1 169 1 1 12 PHE CE2 C 5.315 -8.127 1.943 1.00 . A A . 12 PHE CE2 1 1 1 170 1 1 12 PHE CG C 5.545 -6.178 0.552 1.00 . A A . 12 PHE CG 1 1 1 171 1 1 12 PHE CZ C 4.131 -7.632 2.452 1.00 . A A . 12 PHE CZ 1 1 1 172 1 1 12 PHE H H 4.930 -3.301 0.208 1.00 . A A . 12 PHE H 1 1 1 173 1 1 12 PHE HA H 7.568 -4.295 0.878 1.00 . A A . 12 PHE HA 1 1 1 174 1 1 12 PHE HB2 H 5.646 -5.174 -1.293 1.00 . A A . 12 PHE HB2 1 1 1 175 1 1 12 PHE HB3 H 7.127 -6.014 -0.828 1.00 . A A . 12 PHE HB3 1 1 1 176 1 1 12 PHE HD1 H 3.976 -4.741 0.727 1.00 . A A . 12 PHE HD1 1 1 1 177 1 1 12 PHE HD2 H 6.944 -7.789 0.601 1.00 . A A . 12 PHE HD2 1 1 1 178 1 1 12 PHE HE1 H 2.725 -6.024 2.413 1.00 . A A . 12 PHE HE1 1 1 1 179 1 1 12 PHE HE2 H 5.692 -9.080 2.283 1.00 . A A . 12 PHE HE2 1 1 1 180 1 1 12 PHE HZ H 3.581 -8.197 3.190 1.00 . A A . 12 PHE HZ 1 1 1 181 1 1 12 PHE N N 5.838 -3.213 0.570 1.00 . A A . 12 PHE N 1 1 1 182 1 1 12 PHE O O 8.868 -3.617 -1.228 1.00 . A A . 12 PHE O 1 1 1 183 1 1 13 GLY C C 6.759 -1.708 -4.106 1.00 . A A . 13 GLY C 1 1 1 184 1 1 13 GLY CA C 7.631 -1.780 -2.864 1.00 . A A . 13 GLY CA 1 1 1 185 1 1 13 GLY H H 6.041 -2.355 -1.590 1.00 . A A . 13 GLY H 1 1 1 186 1 1 13 GLY HA2 H 7.852 -0.778 -2.527 1.00 . A A . 13 GLY HA2 1 1 1 187 1 1 13 GLY HA3 H 8.557 -2.276 -3.115 1.00 . A A . 13 GLY HA3 1 1 1 188 1 1 13 GLY N N 6.991 -2.505 -1.781 1.00 . A A . 13 GLY N 1 1 1 189 1 1 13 GLY O O 6.372 -2.742 -4.650 1.00 . A A . 13 GLY O 1 1 1 190 1 1 14 PRO C C 6.095 -1.140 -6.962 1.00 . A A . 14 PRO C 1 1 1 191 1 1 14 PRO CA C 5.596 -0.318 -5.780 1.00 . A A . 14 PRO CA 1 1 1 192 1 1 14 PRO CB C 5.713 1.176 -6.082 1.00 . A A . 14 PRO CB 1 1 1 193 1 1 14 PRO CD C 6.844 0.800 -4.008 1.00 . A A . 14 PRO CD 1 1 1 194 1 1 14 PRO CG C 6.017 1.803 -4.764 1.00 . A A . 14 PRO CG 1 1 1 195 1 1 14 PRO HA H 4.564 -0.569 -5.580 1.00 . A A . 14 PRO HA 1 1 1 196 1 1 14 PRO HB2 H 6.513 1.341 -6.792 1.00 . A A . 14 PRO HB2 1 1 1 197 1 1 14 PRO HB3 H 4.779 1.540 -6.487 1.00 . A A . 14 PRO HB3 1 1 1 198 1 1 14 PRO HD2 H 7.896 0.977 -4.174 1.00 . A A . 14 PRO HD2 1 1 1 199 1 1 14 PRO HD3 H 6.614 0.840 -2.954 1.00 . A A . 14 PRO HD3 1 1 1 200 1 1 14 PRO HG2 H 6.577 2.715 -4.913 1.00 . A A . 14 PRO HG2 1 1 1 201 1 1 14 PRO HG3 H 5.098 2.007 -4.235 1.00 . A A . 14 PRO HG3 1 1 1 202 1 1 14 PRO N N 6.431 -0.494 -4.587 1.00 . A A . 14 PRO N 1 1 1 203 1 1 14 PRO O O 5.305 -1.713 -7.712 1.00 . A A . 14 PRO O 1 1 1 204 1 1 15 ALA C C 8.591 -3.268 -7.712 1.00 . A A . 15 ALA C 1 1 1 205 1 1 15 ALA CA C 8.021 -1.945 -8.213 1.00 . A A . 15 ALA CA 1 1 1 206 1 1 15 ALA CB C 9.106 -1.116 -8.884 1.00 . A A . 15 ALA CB 1 1 1 207 1 1 15 ALA H H 7.991 -0.716 -6.492 1.00 . A A . 15 ALA H 1 1 1 208 1 1 15 ALA HA H 7.253 -2.151 -8.945 1.00 . A A . 15 ALA HA 1 1 1 209 1 1 15 ALA HB1 H 8.676 -0.550 -9.697 1.00 . A A . 15 ALA HB1 1 1 1 210 1 1 15 ALA HB2 H 9.874 -1.773 -9.270 1.00 . A A . 15 ALA HB2 1 1 1 211 1 1 15 ALA HB3 H 9.540 -0.440 -8.164 1.00 . A A . 15 ALA HB3 1 1 1 212 1 1 15 ALA N N 7.414 -1.193 -7.123 1.00 . A A . 15 ALA N 1 1 1 213 1 1 15 ALA O O 9.771 -3.561 -7.902 1.00 . A A . 15 ALA O 1 1 1 214 1 1 16 ALA C C 8.647 -6.277 -7.649 1.00 . A A . 16 ALA C 1 1 1 215 1 1 16 ALA CA C 8.159 -5.356 -6.535 1.00 . A A . 16 ALA CA 1 1 1 216 1 1 16 ALA CB C 7.015 -6.006 -5.774 1.00 . A A . 16 ALA CB 1 1 1 217 1 1 16 ALA H H 6.815 -3.775 -6.946 1.00 . A A . 16 ALA H 1 1 1 218 1 1 16 ALA HA H 8.970 -5.185 -5.843 1.00 . A A . 16 ALA HA 1 1 1 219 1 1 16 ALA HB1 H 6.939 -5.564 -4.791 1.00 . A A . 16 ALA HB1 1 1 1 220 1 1 16 ALA HB2 H 7.201 -7.065 -5.680 1.00 . A A . 16 ALA HB2 1 1 1 221 1 1 16 ALA HB3 H 6.090 -5.850 -6.311 1.00 . A A . 16 ALA HB3 1 1 1 222 1 1 16 ALA N N 7.742 -4.064 -7.069 1.00 . A A . 16 ALA N 1 1 1 223 1 1 16 ALA O O 8.589 -5.864 -8.826 1.00 . A A . 16 ALA O 1 1 1 224 1 1 16 ALA OXT O 9.085 -7.404 -7.334 1.00 . A A . 16 ALA OXT 1 1 2 225 1 1 1 GLY C C -6.377 6.873 0.407 1.00 . A A . 1 GLY C 1 1 2 226 1 1 1 GLY CA C -4.968 7.199 0.861 1.00 . A A . 1 GLY CA 1 1 2 227 1 1 1 GLY H1 H -5.606 7.030 2.843 1.00 . A A . 1 GLY H1 1 1 2 228 1 1 1 GLY H2 H -5.107 8.589 2.414 1.00 . A A . 1 GLY H2 1 1 2 229 1 1 1 GLY H3 H -3.957 7.377 2.680 1.00 . A A . 1 GLY H3 1 1 2 230 1 1 1 GLY HA2 H -4.593 8.021 0.269 1.00 . A A . 1 GLY HA2 1 1 2 231 1 1 1 GLY HA3 H -4.340 6.336 0.698 1.00 . A A . 1 GLY HA3 1 1 2 232 1 1 1 GLY N N -4.906 7.575 2.300 1.00 . A A . 1 GLY N 1 1 2 233 1 1 1 GLY O O -7.309 6.863 1.212 1.00 . A A . 1 GLY O 1 1 2 234 1 1 2 ALA C C -8.189 4.813 -1.197 1.00 . A A . 2 ALA C 1 1 2 235 1 1 2 ALA CA C -7.840 6.277 -1.444 1.00 . A A . 2 ALA CA 1 1 2 236 1 1 2 ALA CB C -7.869 6.586 -2.933 1.00 . A A . 2 ALA CB 1 1 2 237 1 1 2 ALA H H -5.753 6.630 -1.476 1.00 . A A . 2 ALA H 1 1 2 238 1 1 2 ALA HA H -8.577 6.900 -0.956 1.00 . A A . 2 ALA HA 1 1 2 239 1 1 2 ALA HB1 H -8.830 7.002 -3.196 1.00 . A A . 2 ALA HB1 1 1 2 240 1 1 2 ALA HB2 H -7.707 5.677 -3.492 1.00 . A A . 2 ALA HB2 1 1 2 241 1 1 2 ALA HB3 H -7.091 7.297 -3.169 1.00 . A A . 2 ALA HB3 1 1 2 242 1 1 2 ALA N N -6.535 6.606 -0.885 1.00 . A A . 2 ALA N 1 1 2 243 1 1 2 ALA O O -9.355 4.467 -1.005 1.00 . A A . 2 ALA O 1 1 2 244 1 1 3 ALA C C -8.303 1.937 -2.031 1.00 . A A . 3 ALA C 1 1 2 245 1 1 3 ALA CA C -7.370 2.532 -0.981 1.00 . A A . 3 ALA CA 1 1 2 246 1 1 3 ALA CB C -7.919 2.290 0.418 1.00 . A A . 3 ALA CB 1 1 2 247 1 1 3 ALA H H -6.264 4.296 -1.363 1.00 . A A . 3 ALA H 1 1 2 248 1 1 3 ALA HA H -6.407 2.048 -1.052 1.00 . A A . 3 ALA HA 1 1 2 249 1 1 3 ALA HB1 H -7.612 3.095 1.070 1.00 . A A . 3 ALA HB1 1 1 2 250 1 1 3 ALA HB2 H -7.537 1.353 0.797 1.00 . A A . 3 ALA HB2 1 1 2 251 1 1 3 ALA HB3 H -8.997 2.249 0.378 1.00 . A A . 3 ALA HB3 1 1 2 252 1 1 3 ALA N N -7.171 3.960 -1.204 1.00 . A A . 3 ALA N 1 1 2 253 1 1 3 ALA O O -9.430 1.547 -1.726 1.00 . A A . 3 ALA O 1 1 2 254 1 1 4 ILE C C -8.535 -0.199 -4.398 1.00 . A A . 4 ILE C 1 1 2 255 1 1 4 ILE CA C -8.602 1.327 -4.362 1.00 . A A . 4 ILE CA 1 1 2 256 1 1 4 ILE CB C -8.096 1.885 -5.700 1.00 . A A . 4 ILE CB 1 1 2 257 1 1 4 ILE CD1 C -6.063 2.030 -7.224 1.00 . A A . 4 ILE CD1 1 1 2 258 1 1 4 ILE CG1 C -6.623 1.526 -5.913 1.00 . A A . 4 ILE CG1 1 1 2 259 1 1 4 ILE CG2 C -8.295 3.392 -5.756 1.00 . A A . 4 ILE CG2 1 1 2 260 1 1 4 ILE H H -6.924 2.193 -3.457 1.00 . A A . 4 ILE H 1 1 2 261 1 1 4 ILE HA H -9.629 1.634 -4.231 1.00 . A A . 4 ILE HA 1 1 2 262 1 1 4 ILE HB H -8.679 1.444 -6.478 1.00 . A A . 4 ILE HB 1 1 2 263 1 1 4 ILE HD11 H -5.606 1.211 -7.760 1.00 . A A . 4 ILE HD11 1 1 2 264 1 1 4 ILE HD12 H -5.321 2.791 -7.030 1.00 . A A . 4 ILE HD12 1 1 2 265 1 1 4 ILE HD13 H -6.861 2.449 -7.819 1.00 . A A . 4 ILE HD13 1 1 2 266 1 1 4 ILE HG12 H -6.036 1.955 -5.117 1.00 . A A . 4 ILE HG12 1 1 2 267 1 1 4 ILE HG13 H -6.516 0.451 -5.897 1.00 . A A . 4 ILE HG13 1 1 2 268 1 1 4 ILE HG21 H -7.551 3.877 -5.144 1.00 . A A . 4 ILE HG21 1 1 2 269 1 1 4 ILE HG22 H -9.280 3.639 -5.391 1.00 . A A . 4 ILE HG22 1 1 2 270 1 1 4 ILE HG23 H -8.197 3.730 -6.778 1.00 . A A . 4 ILE HG23 1 1 2 271 1 1 4 ILE N N -7.824 1.869 -3.269 1.00 . A A . 4 ILE N 1 1 2 272 1 1 4 ILE O O -9.121 -0.833 -5.276 1.00 . A A . 4 ILE O 1 1 2 273 1 1 5 GLY C C -6.240 -2.684 -3.426 1.00 . A A . 5 GLY C 1 1 2 274 1 1 5 GLY CA C -7.688 -2.230 -3.395 1.00 . A A . 5 GLY CA 1 1 2 275 1 1 5 GLY H H -7.367 -0.236 -2.771 1.00 . A A . 5 GLY H 1 1 2 276 1 1 5 GLY HA2 H -8.147 -2.591 -2.485 1.00 . A A . 5 GLY HA2 1 1 2 277 1 1 5 GLY HA3 H -8.206 -2.658 -4.240 1.00 . A A . 5 GLY HA3 1 1 2 278 1 1 5 GLY N N -7.816 -0.786 -3.444 1.00 . A A . 5 GLY N 1 1 2 279 1 1 5 GLY O O -5.931 -3.818 -3.059 1.00 . A A . 5 GLY O 1 1 2 280 1 1 6 LEU C C -3.098 -1.073 -3.201 1.00 . A A . 6 LEU C 1 1 2 281 1 1 6 LEU CA C -3.929 -2.115 -3.943 1.00 . A A . 6 LEU CA 1 1 2 282 1 1 6 LEU CB C -3.474 -2.201 -5.405 1.00 . A A . 6 LEU CB 1 1 2 283 1 1 6 LEU CD1 C -5.643 -3.049 -6.359 1.00 . A A . 6 LEU CD1 1 1 2 284 1 1 6 LEU CD2 C -3.508 -3.366 -7.624 1.00 . A A . 6 LEU CD2 1 1 2 285 1 1 6 LEU CG C -4.144 -3.293 -6.245 1.00 . A A . 6 LEU CG 1 1 2 286 1 1 6 LEU H H -5.657 -0.908 -4.144 1.00 . A A . 6 LEU H 1 1 2 287 1 1 6 LEU HA H -3.780 -3.077 -3.474 1.00 . A A . 6 LEU HA 1 1 2 288 1 1 6 LEU HB2 H -3.668 -1.247 -5.875 1.00 . A A . 6 LEU HB2 1 1 2 289 1 1 6 LEU HB3 H -2.409 -2.375 -5.416 1.00 . A A . 6 LEU HB3 1 1 2 290 1 1 6 LEU HD11 H -6.167 -3.699 -5.673 1.00 . A A . 6 LEU HD11 1 1 2 291 1 1 6 LEU HD12 H -5.965 -3.255 -7.369 1.00 . A A . 6 LEU HD12 1 1 2 292 1 1 6 LEU HD13 H -5.860 -2.019 -6.115 1.00 . A A . 6 LEU HD13 1 1 2 293 1 1 6 LEU HD21 H -2.461 -3.111 -7.552 1.00 . A A . 6 LEU HD21 1 1 2 294 1 1 6 LEU HD22 H -4.002 -2.670 -8.286 1.00 . A A . 6 LEU HD22 1 1 2 295 1 1 6 LEU HD23 H -3.608 -4.368 -8.014 1.00 . A A . 6 LEU HD23 1 1 2 296 1 1 6 LEU HG H -4.001 -4.248 -5.760 1.00 . A A . 6 LEU HG 1 1 2 297 1 1 6 LEU N N -5.350 -1.798 -3.866 1.00 . A A . 6 LEU N 1 1 2 298 1 1 6 LEU O O -2.045 -0.649 -3.679 1.00 . A A . 6 LEU O 1 1 2 299 1 1 7 ALA C C -2.108 -0.326 -0.081 1.00 . A A . 7 ALA C 1 1 2 300 1 1 7 ALA CA C -2.879 0.327 -1.223 1.00 . A A . 7 ALA CA 1 1 2 301 1 1 7 ALA CB C -3.864 1.342 -0.675 1.00 . A A . 7 ALA CB 1 1 2 302 1 1 7 ALA H H -4.422 -1.041 -1.703 1.00 . A A . 7 ALA H 1 1 2 303 1 1 7 ALA HA H -2.183 0.848 -1.864 1.00 . A A . 7 ALA HA 1 1 2 304 1 1 7 ALA HB1 H -3.328 2.120 -0.153 1.00 . A A . 7 ALA HB1 1 1 2 305 1 1 7 ALA HB2 H -4.541 0.850 0.009 1.00 . A A . 7 ALA HB2 1 1 2 306 1 1 7 ALA HB3 H -4.426 1.775 -1.489 1.00 . A A . 7 ALA HB3 1 1 2 307 1 1 7 ALA N N -3.577 -0.666 -2.031 1.00 . A A . 7 ALA N 1 1 2 308 1 1 7 ALA O O -1.758 0.331 0.900 1.00 . A A . 7 ALA O 1 1 2 309 1 1 8 TRP C C 0.255 -2.788 0.279 1.00 . A A . 8 TRP C 1 1 2 310 1 1 8 TRP CA C -1.109 -2.360 0.804 1.00 . A A . 8 TRP CA 1 1 2 311 1 1 8 TRP CB C -1.886 -3.606 1.221 1.00 . A A . 8 TRP CB 1 1 2 312 1 1 8 TRP CD1 C -3.120 -4.372 -0.889 1.00 . A A . 8 TRP CD1 1 1 2 313 1 1 8 TRP CD2 C -1.415 -5.688 -0.286 1.00 . A A . 8 TRP CD2 1 1 2 314 1 1 8 TRP CE2 C -2.002 -6.221 -1.450 1.00 . A A . 8 TRP CE2 1 1 2 315 1 1 8 TRP CE3 C -0.317 -6.344 0.277 1.00 . A A . 8 TRP CE3 1 1 2 316 1 1 8 TRP CG C -2.160 -4.520 0.070 1.00 . A A . 8 TRP CG 1 1 2 317 1 1 8 TRP CH2 C -0.442 -7.992 -1.493 1.00 . A A . 8 TRP CH2 1 1 2 318 1 1 8 TRP CZ2 C -1.523 -7.375 -2.062 1.00 . A A . 8 TRP CZ2 1 1 2 319 1 1 8 TRP CZ3 C 0.160 -7.487 -0.333 1.00 . A A . 8 TRP CZ3 1 1 2 320 1 1 8 TRP H H -2.142 -2.089 -1.020 1.00 . A A . 8 TRP H 1 1 2 321 1 1 8 TRP HA H -0.975 -1.717 1.661 1.00 . A A . 8 TRP HA 1 1 2 322 1 1 8 TRP HB2 H -1.312 -4.154 1.958 1.00 . A A . 8 TRP HB2 1 1 2 323 1 1 8 TRP HB3 H -2.833 -3.308 1.650 1.00 . A A . 8 TRP HB3 1 1 2 324 1 1 8 TRP HD1 H -3.845 -3.572 -0.905 1.00 . A A . 8 TRP HD1 1 1 2 325 1 1 8 TRP HE1 H -3.637 -5.528 -2.566 1.00 . A A . 8 TRP HE1 1 1 2 326 1 1 8 TRP HE3 H 0.160 -5.968 1.169 1.00 . A A . 8 TRP HE3 1 1 2 327 1 1 8 TRP HH2 H -0.036 -8.887 -1.938 1.00 . A A . 8 TRP HH2 1 1 2 328 1 1 8 TRP HZ2 H -1.975 -7.778 -2.955 1.00 . A A . 8 TRP HZ2 1 1 2 329 1 1 8 TRP HZ3 H 1.013 -8.002 0.084 1.00 . A A . 8 TRP HZ3 1 1 2 330 1 1 8 TRP N N -1.841 -1.618 -0.215 1.00 . A A . 8 TRP N 1 1 2 331 1 1 8 TRP NE1 N -3.045 -5.403 -1.795 1.00 . A A . 8 TRP NE1 1 1 2 332 1 1 8 TRP O O 1.246 -2.788 1.010 1.00 . A A . 8 TRP O 1 1 2 333 1 1 9 ILE C C 2.658 -2.616 -1.488 1.00 . A A . 9 ILE C 1 1 2 334 1 1 9 ILE CA C 1.519 -3.627 -1.624 1.00 . A A . 9 ILE CA 1 1 2 335 1 1 9 ILE CB C 1.299 -4.016 -3.108 1.00 . A A . 9 ILE CB 1 1 2 336 1 1 9 ILE CD1 C 3.592 -3.300 -4.036 1.00 . A A . 9 ILE CD1 1 1 2 337 1 1 9 ILE CG1 C 2.621 -4.435 -3.768 1.00 . A A . 9 ILE CG1 1 1 2 338 1 1 9 ILE CG2 C 0.629 -2.890 -3.883 1.00 . A A . 9 ILE CG2 1 1 2 339 1 1 9 ILE H H -0.542 -3.159 -1.514 1.00 . A A . 9 ILE H 1 1 2 340 1 1 9 ILE HA H 1.820 -4.527 -1.101 1.00 . A A . 9 ILE HA 1 1 2 341 1 1 9 ILE HB H 0.626 -4.860 -3.125 1.00 . A A . 9 ILE HB 1 1 2 342 1 1 9 ILE HD11 H 3.917 -3.342 -5.065 1.00 . A A . 9 ILE HD11 1 1 2 343 1 1 9 ILE HD12 H 4.448 -3.399 -3.386 1.00 . A A . 9 ILE HD12 1 1 2 344 1 1 9 ILE HD13 H 3.108 -2.354 -3.852 1.00 . A A . 9 ILE HD13 1 1 2 345 1 1 9 ILE HG12 H 3.119 -5.132 -3.113 1.00 . A A . 9 ILE HG12 1 1 2 346 1 1 9 ILE HG13 H 2.408 -4.923 -4.708 1.00 . A A . 9 ILE HG13 1 1 2 347 1 1 9 ILE HG21 H 1.363 -2.152 -4.160 1.00 . A A . 9 ILE HG21 1 1 2 348 1 1 9 ILE HG22 H -0.128 -2.431 -3.268 1.00 . A A . 9 ILE HG22 1 1 2 349 1 1 9 ILE HG23 H 0.172 -3.294 -4.774 1.00 . A A . 9 ILE HG23 1 1 2 350 1 1 9 ILE N N 0.288 -3.172 -0.992 1.00 . A A . 9 ILE N 1 1 2 351 1 1 9 ILE O O 3.790 -3.008 -1.201 1.00 . A A . 9 ILE O 1 1 2 352 1 1 10 PRO C C 4.351 -0.534 -0.353 1.00 . A A . 10 PRO C 1 1 2 353 1 1 10 PRO CA C 3.444 -0.276 -1.553 1.00 . A A . 10 PRO CA 1 1 2 354 1 1 10 PRO CB C 2.653 1.031 -1.371 1.00 . A A . 10 PRO CB 1 1 2 355 1 1 10 PRO CD C 1.115 -0.694 -2.014 1.00 . A A . 10 PRO CD 1 1 2 356 1 1 10 PRO CG C 1.210 0.636 -1.325 1.00 . A A . 10 PRO CG 1 1 2 357 1 1 10 PRO HA H 4.046 -0.216 -2.449 1.00 . A A . 10 PRO HA 1 1 2 358 1 1 10 PRO HB2 H 2.957 1.510 -0.451 1.00 . A A . 10 PRO HB2 1 1 2 359 1 1 10 PRO HB3 H 2.852 1.690 -2.202 1.00 . A A . 10 PRO HB3 1 1 2 360 1 1 10 PRO HD2 H 0.292 -1.266 -1.621 1.00 . A A . 10 PRO HD2 1 1 2 361 1 1 10 PRO HD3 H 1.018 -0.564 -3.082 1.00 . A A . 10 PRO HD3 1 1 2 362 1 1 10 PRO HG2 H 0.890 0.545 -0.298 1.00 . A A . 10 PRO HG2 1 1 2 363 1 1 10 PRO HG3 H 0.611 1.369 -1.842 1.00 . A A . 10 PRO HG3 1 1 2 364 1 1 10 PRO N N 2.403 -1.302 -1.677 1.00 . A A . 10 PRO N 1 1 2 365 1 1 10 PRO O O 5.526 -0.169 -0.355 1.00 . A A . 10 PRO O 1 1 2 366 1 1 11 TYR C C 5.794 -2.310 1.529 1.00 . A A . 11 TYR C 1 1 2 367 1 1 11 TYR CA C 4.534 -1.522 1.870 1.00 . A A . 11 TYR CA 1 1 2 368 1 1 11 TYR CB C 3.649 -2.347 2.806 1.00 . A A . 11 TYR CB 1 1 2 369 1 1 11 TYR CD1 C 2.138 -0.310 2.921 1.00 . A A . 11 TYR CD1 1 1 2 370 1 1 11 TYR CD2 C 1.508 -2.259 4.141 1.00 . A A . 11 TYR CD2 1 1 2 371 1 1 11 TYR CE1 C 1.008 0.343 3.374 1.00 . A A . 11 TYR CE1 1 1 2 372 1 1 11 TYR CE2 C 0.373 -1.611 4.595 1.00 . A A . 11 TYR CE2 1 1 2 373 1 1 11 TYR CG C 2.409 -1.623 3.297 1.00 . A A . 11 TYR CG 1 1 2 374 1 1 11 TYR CZ C 0.129 -0.312 4.210 1.00 . A A . 11 TYR CZ 1 1 2 375 1 1 11 TYR H H 2.853 -1.456 0.595 1.00 . A A . 11 TYR H 1 1 2 376 1 1 11 TYR HA H 4.812 -0.603 2.363 1.00 . A A . 11 TYR HA 1 1 2 377 1 1 11 TYR HB2 H 3.325 -3.236 2.282 1.00 . A A . 11 TYR HB2 1 1 2 378 1 1 11 TYR HB3 H 4.228 -2.639 3.671 1.00 . A A . 11 TYR HB3 1 1 2 379 1 1 11 TYR HD1 H 2.827 0.203 2.266 1.00 . A A . 11 TYR HD1 1 1 2 380 1 1 11 TYR HD2 H 1.700 -3.279 4.442 1.00 . A A . 11 TYR HD2 1 1 2 381 1 1 11 TYR HE1 H 0.815 1.362 3.070 1.00 . A A . 11 TYR HE1 1 1 2 382 1 1 11 TYR HE2 H -0.314 -2.124 5.252 1.00 . A A . 11 TYR HE2 1 1 2 383 1 1 11 TYR HH H -0.762 1.218 4.958 1.00 . A A . 11 TYR HH 1 1 2 384 1 1 11 TYR N N 3.791 -1.184 0.664 1.00 . A A . 11 TYR N 1 1 2 385 1 1 11 TYR O O 6.848 -2.108 2.132 1.00 . A A . 11 TYR O 1 1 2 386 1 1 11 TYR OH O -0.998 0.336 4.662 1.00 . A A . 11 TYR OH 1 1 2 387 1 1 12 PHE C C 7.705 -3.263 -0.830 1.00 . A A . 12 PHE C 1 1 2 388 1 1 12 PHE CA C 6.803 -4.029 0.132 1.00 . A A . 12 PHE CA 1 1 2 389 1 1 12 PHE CB C 6.312 -5.321 -0.529 1.00 . A A . 12 PHE CB 1 1 2 390 1 1 12 PHE CD1 C 4.354 -5.807 0.974 1.00 . A A . 12 PHE CD1 1 1 2 391 1 1 12 PHE CD2 C 6.016 -7.494 0.690 1.00 . A A . 12 PHE CD2 1 1 2 392 1 1 12 PHE CE1 C 3.650 -6.639 1.825 1.00 . A A . 12 PHE CE1 1 1 2 393 1 1 12 PHE CE2 C 5.316 -8.330 1.539 1.00 . A A . 12 PHE CE2 1 1 2 394 1 1 12 PHE CG C 5.544 -6.224 0.397 1.00 . A A . 12 PHE CG 1 1 2 395 1 1 12 PHE CZ C 4.133 -7.903 2.107 1.00 . A A . 12 PHE CZ 1 1 2 396 1 1 12 PHE H H 4.807 -3.319 0.113 1.00 . A A . 12 PHE H 1 1 2 397 1 1 12 PHE HA H 7.374 -4.282 1.013 1.00 . A A . 12 PHE HA 1 1 2 398 1 1 12 PHE HB2 H 5.664 -5.068 -1.357 1.00 . A A . 12 PHE HB2 1 1 2 399 1 1 12 PHE HB3 H 7.168 -5.873 -0.898 1.00 . A A . 12 PHE HB3 1 1 2 400 1 1 12 PHE HD1 H 3.973 -4.823 0.752 1.00 . A A . 12 PHE HD1 1 1 2 401 1 1 12 PHE HD2 H 6.940 -7.830 0.246 1.00 . A A . 12 PHE HD2 1 1 2 402 1 1 12 PHE HE1 H 2.726 -6.302 2.268 1.00 . A A . 12 PHE HE1 1 1 2 403 1 1 12 PHE HE2 H 5.697 -9.318 1.760 1.00 . A A . 12 PHE HE2 1 1 2 404 1 1 12 PHE HZ H 3.584 -8.554 2.771 1.00 . A A . 12 PHE HZ 1 1 2 405 1 1 12 PHE N N 5.674 -3.207 0.556 1.00 . A A . 12 PHE N 1 1 2 406 1 1 12 PHE O O 8.913 -3.495 -0.880 1.00 . A A . 12 PHE O 1 1 2 407 1 1 13 GLY C C 7.056 -1.130 -3.739 1.00 . A A . 13 GLY C 1 1 2 408 1 1 13 GLY CA C 7.881 -1.567 -2.543 1.00 . A A . 13 GLY CA 1 1 2 409 1 1 13 GLY H H 6.146 -2.209 -1.511 1.00 . A A . 13 GLY H 1 1 2 410 1 1 13 GLY HA2 H 8.267 -0.693 -2.040 1.00 . A A . 13 GLY HA2 1 1 2 411 1 1 13 GLY HA3 H 8.711 -2.164 -2.892 1.00 . A A . 13 GLY HA3 1 1 2 412 1 1 13 GLY N N 7.112 -2.350 -1.593 1.00 . A A . 13 GLY N 1 1 2 413 1 1 13 GLY O O 6.695 -1.955 -4.577 1.00 . A A . 13 GLY O 1 1 2 414 1 1 14 PRO C C 6.710 0.644 -6.292 1.00 . A A . 14 PRO C 1 1 2 415 1 1 14 PRO CA C 5.950 0.698 -4.971 1.00 . A A . 14 PRO CA 1 1 2 416 1 1 14 PRO CB C 5.677 2.150 -4.570 1.00 . A A . 14 PRO CB 1 1 2 417 1 1 14 PRO CD C 7.127 1.236 -2.905 1.00 . A A . 14 PRO CD 1 1 2 418 1 1 14 PRO CG C 6.791 2.501 -3.643 1.00 . A A . 14 PRO CG 1 1 2 419 1 1 14 PRO HA H 5.013 0.170 -5.075 1.00 . A A . 14 PRO HA 1 1 2 420 1 1 14 PRO HB2 H 5.684 2.777 -5.451 1.00 . A A . 14 PRO HB2 1 1 2 421 1 1 14 PRO HB3 H 4.718 2.217 -4.075 1.00 . A A . 14 PRO HB3 1 1 2 422 1 1 14 PRO HD2 H 8.184 1.194 -2.690 1.00 . A A . 14 PRO HD2 1 1 2 423 1 1 14 PRO HD3 H 6.552 1.167 -1.993 1.00 . A A . 14 PRO HD3 1 1 2 424 1 1 14 PRO HG2 H 7.644 2.843 -4.209 1.00 . A A . 14 PRO HG2 1 1 2 425 1 1 14 PRO HG3 H 6.466 3.264 -2.953 1.00 . A A . 14 PRO HG3 1 1 2 426 1 1 14 PRO N N 6.740 0.174 -3.852 1.00 . A A . 14 PRO N 1 1 2 427 1 1 14 PRO O O 6.110 0.548 -7.363 1.00 . A A . 14 PRO O 1 1 2 428 1 1 15 ALA C C 9.218 -0.774 -7.785 1.00 . A A . 15 ALA C 1 1 2 429 1 1 15 ALA CA C 8.880 0.662 -7.396 1.00 . A A . 15 ALA CA 1 1 2 430 1 1 15 ALA CB C 10.153 1.463 -7.168 1.00 . A A . 15 ALA CB 1 1 2 431 1 1 15 ALA H H 8.456 0.779 -5.325 1.00 . A A . 15 ALA H 1 1 2 432 1 1 15 ALA HA H 8.334 1.122 -8.205 1.00 . A A . 15 ALA HA 1 1 2 433 1 1 15 ALA HB1 H 10.603 1.164 -6.232 1.00 . A A . 15 ALA HB1 1 1 2 434 1 1 15 ALA HB2 H 9.914 2.516 -7.130 1.00 . A A . 15 ALA HB2 1 1 2 435 1 1 15 ALA HB3 H 10.844 1.279 -7.975 1.00 . A A . 15 ALA HB3 1 1 2 436 1 1 15 ALA N N 8.036 0.705 -6.208 1.00 . A A . 15 ALA N 1 1 2 437 1 1 15 ALA O O 9.583 -1.047 -8.928 1.00 . A A . 15 ALA O 1 1 2 438 1 1 16 ALA C C 8.173 -3.818 -7.638 1.00 . A A . 16 ALA C 1 1 2 439 1 1 16 ALA CA C 9.389 -3.093 -7.071 1.00 . A A . 16 ALA CA 1 1 2 440 1 1 16 ALA CB C 9.856 -3.765 -5.789 1.00 . A A . 16 ALA CB 1 1 2 441 1 1 16 ALA H H 8.802 -1.408 -5.936 1.00 . A A . 16 ALA H 1 1 2 442 1 1 16 ALA HA H 10.194 -3.147 -7.791 1.00 . A A . 16 ALA HA 1 1 2 443 1 1 16 ALA HB1 H 9.010 -3.920 -5.135 1.00 . A A . 16 ALA HB1 1 1 2 444 1 1 16 ALA HB2 H 10.581 -3.135 -5.296 1.00 . A A . 16 ALA HB2 1 1 2 445 1 1 16 ALA HB3 H 10.308 -4.717 -6.025 1.00 . A A . 16 ALA HB3 1 1 2 446 1 1 16 ALA N N 9.096 -1.687 -6.828 1.00 . A A . 16 ALA N 1 1 2 447 1 1 16 ALA O O 7.043 -3.323 -7.437 1.00 . A A . 16 ALA O 1 1 2 448 1 1 16 ALA OXT O 8.359 -4.875 -8.278 1.00 . A A . 16 ALA OXT 1 1 3 449 1 1 1 GLY C C -6.604 -1.999 2.228 1.00 . A A . 1 GLY C 1 1 3 450 1 1 1 GLY CA C -5.613 -2.896 1.515 1.00 . A A . 1 GLY CA 1 1 3 451 1 1 1 GLY H1 H -4.483 -4.622 1.840 1.00 . A A . 1 GLY H1 1 1 3 452 1 1 1 GLY H2 H -5.955 -4.601 2.671 1.00 . A A . 1 GLY H2 1 1 3 453 1 1 1 GLY H3 H -4.664 -3.655 3.214 1.00 . A A . 1 GLY H3 1 1 3 454 1 1 1 GLY HA2 H -4.758 -2.305 1.219 1.00 . A A . 1 GLY HA2 1 1 3 455 1 1 1 GLY HA3 H -6.081 -3.301 0.630 1.00 . A A . 1 GLY HA3 1 1 3 456 1 1 1 GLY N N -5.147 -4.023 2.370 1.00 . A A . 1 GLY N 1 1 3 457 1 1 1 GLY O O -6.221 -1.169 3.052 1.00 . A A . 1 GLY O 1 1 3 458 1 1 2 ALA C C -8.752 0.116 2.210 1.00 . A A . 2 ALA C 1 1 3 459 1 1 2 ALA CA C -8.936 -1.365 2.526 1.00 . A A . 2 ALA CA 1 1 3 460 1 1 2 ALA CB C -8.957 -1.589 4.031 1.00 . A A . 2 ALA CB 1 1 3 461 1 1 2 ALA H H -8.128 -2.843 1.246 1.00 . A A . 2 ALA H 1 1 3 462 1 1 2 ALA HA H -9.883 -1.693 2.124 1.00 . A A . 2 ALA HA 1 1 3 463 1 1 2 ALA HB1 H -9.976 -1.543 4.387 1.00 . A A . 2 ALA HB1 1 1 3 464 1 1 2 ALA HB2 H -8.370 -0.824 4.518 1.00 . A A . 2 ALA HB2 1 1 3 465 1 1 2 ALA HB3 H -8.540 -2.560 4.256 1.00 . A A . 2 ALA HB3 1 1 3 466 1 1 2 ALA N N -7.885 -2.165 1.910 1.00 . A A . 2 ALA N 1 1 3 467 1 1 2 ALA O O -8.515 0.929 3.103 1.00 . A A . 2 ALA O 1 1 3 468 1 1 3 ALA C C -9.068 2.000 -0.978 1.00 . A A . 3 ALA C 1 1 3 469 1 1 3 ALA CA C -8.708 1.844 0.497 1.00 . A A . 3 ALA CA 1 1 3 470 1 1 3 ALA CB C -7.286 2.321 0.751 1.00 . A A . 3 ALA CB 1 1 3 471 1 1 3 ALA H H -9.052 -0.232 0.264 1.00 . A A . 3 ALA H 1 1 3 472 1 1 3 ALA HA H -9.379 2.454 1.085 1.00 . A A . 3 ALA HA 1 1 3 473 1 1 3 ALA HB1 H -7.140 2.469 1.810 1.00 . A A . 3 ALA HB1 1 1 3 474 1 1 3 ALA HB2 H -7.122 3.254 0.231 1.00 . A A . 3 ALA HB2 1 1 3 475 1 1 3 ALA HB3 H -6.589 1.580 0.390 1.00 . A A . 3 ALA HB3 1 1 3 476 1 1 3 ALA N N -8.862 0.460 0.931 1.00 . A A . 3 ALA N 1 1 3 477 1 1 3 ALA O O -10.155 2.468 -1.315 1.00 . A A . 3 ALA O 1 1 3 478 1 1 4 ILE C C -8.434 0.319 -3.936 1.00 . A A . 4 ILE C 1 1 3 479 1 1 4 ILE CA C -8.368 1.702 -3.291 1.00 . A A . 4 ILE CA 1 1 3 480 1 1 4 ILE CB C -7.255 2.525 -3.971 1.00 . A A . 4 ILE CB 1 1 3 481 1 1 4 ILE CD1 C -6.095 4.791 -3.955 1.00 . A A . 4 ILE CD1 1 1 3 482 1 1 4 ILE CG1 C -7.173 3.920 -3.349 1.00 . A A . 4 ILE CG1 1 1 3 483 1 1 4 ILE CG2 C -7.504 2.623 -5.472 1.00 . A A . 4 ILE CG2 1 1 3 484 1 1 4 ILE H H -7.299 1.240 -1.522 1.00 . A A . 4 ILE H 1 1 3 485 1 1 4 ILE HA H -9.308 2.206 -3.449 1.00 . A A . 4 ILE HA 1 1 3 486 1 1 4 ILE HB H -6.316 2.015 -3.820 1.00 . A A . 4 ILE HB 1 1 3 487 1 1 4 ILE HD11 H -5.746 4.343 -4.874 1.00 . A A . 4 ILE HD11 1 1 3 488 1 1 4 ILE HD12 H -5.272 4.880 -3.262 1.00 . A A . 4 ILE HD12 1 1 3 489 1 1 4 ILE HD13 H -6.499 5.771 -4.163 1.00 . A A . 4 ILE HD13 1 1 3 490 1 1 4 ILE HG12 H -8.120 4.423 -3.481 1.00 . A A . 4 ILE HG12 1 1 3 491 1 1 4 ILE HG13 H -6.968 3.823 -2.292 1.00 . A A . 4 ILE HG13 1 1 3 492 1 1 4 ILE HG21 H -6.893 1.897 -5.986 1.00 . A A . 4 ILE HG21 1 1 3 493 1 1 4 ILE HG22 H -7.250 3.615 -5.815 1.00 . A A . 4 ILE HG22 1 1 3 494 1 1 4 ILE HG23 H -8.546 2.427 -5.677 1.00 . A A . 4 ILE HG23 1 1 3 495 1 1 4 ILE N N -8.147 1.605 -1.852 1.00 . A A . 4 ILE N 1 1 3 496 1 1 4 ILE O O -8.944 0.167 -5.046 1.00 . A A . 4 ILE O 1 1 3 497 1 1 5 GLY C C -6.523 -2.619 -3.886 1.00 . A A . 5 GLY C 1 1 3 498 1 1 5 GLY CA C -7.919 -2.036 -3.762 1.00 . A A . 5 GLY CA 1 1 3 499 1 1 5 GLY H H -7.516 -0.503 -2.360 1.00 . A A . 5 GLY H 1 1 3 500 1 1 5 GLY HA2 H -8.500 -2.662 -3.100 1.00 . A A . 5 GLY HA2 1 1 3 501 1 1 5 GLY HA3 H -8.383 -2.031 -4.737 1.00 . A A . 5 GLY HA3 1 1 3 502 1 1 5 GLY N N -7.912 -0.684 -3.238 1.00 . A A . 5 GLY N 1 1 3 503 1 1 5 GLY O O -6.360 -3.831 -4.017 1.00 . A A . 5 GLY O 1 1 3 504 1 1 6 LEU C C -3.203 -1.224 -3.220 1.00 . A A . 6 LEU C 1 1 3 505 1 1 6 LEU CA C -4.127 -2.190 -3.958 1.00 . A A . 6 LEU CA 1 1 3 506 1 1 6 LEU CB C -3.726 -2.295 -5.434 1.00 . A A . 6 LEU CB 1 1 3 507 1 1 6 LEU CD1 C -2.176 -4.240 -5.096 1.00 . A A . 6 LEU CD1 1 1 3 508 1 1 6 LEU CD2 C -2.039 -2.883 -7.191 1.00 . A A . 6 LEU CD2 1 1 3 509 1 1 6 LEU CG C -2.322 -2.850 -5.696 1.00 . A A . 6 LEU CG 1 1 3 510 1 1 6 LEU H H -5.705 -0.797 -3.741 1.00 . A A . 6 LEU H 1 1 3 511 1 1 6 LEU HA H -4.049 -3.164 -3.500 1.00 . A A . 6 LEU HA 1 1 3 512 1 1 6 LEU HB2 H -4.439 -2.935 -5.932 1.00 . A A . 6 LEU HB2 1 1 3 513 1 1 6 LEU HB3 H -3.786 -1.311 -5.870 1.00 . A A . 6 LEU HB3 1 1 3 514 1 1 6 LEU HD11 H -1.175 -4.605 -5.275 1.00 . A A . 6 LEU HD11 1 1 3 515 1 1 6 LEU HD12 H -2.890 -4.906 -5.556 1.00 . A A . 6 LEU HD12 1 1 3 516 1 1 6 LEU HD13 H -2.359 -4.194 -4.034 1.00 . A A . 6 LEU HD13 1 1 3 517 1 1 6 LEU HD21 H -1.041 -3.261 -7.360 1.00 . A A . 6 LEU HD21 1 1 3 518 1 1 6 LEU HD22 H -2.117 -1.885 -7.594 1.00 . A A . 6 LEU HD22 1 1 3 519 1 1 6 LEU HD23 H -2.755 -3.526 -7.680 1.00 . A A . 6 LEU HD23 1 1 3 520 1 1 6 LEU HG H -1.590 -2.208 -5.232 1.00 . A A . 6 LEU HG 1 1 3 521 1 1 6 LEU N N -5.514 -1.752 -3.848 1.00 . A A . 6 LEU N 1 1 3 522 1 1 6 LEU O O -2.051 -1.027 -3.608 1.00 . A A . 6 LEU O 1 1 3 523 1 1 7 ALA C C -2.322 -0.359 -0.144 1.00 . A A . 7 ALA C 1 1 3 524 1 1 7 ALA CA C -2.938 0.323 -1.359 1.00 . A A . 7 ALA CA 1 1 3 525 1 1 7 ALA CB C -3.809 1.488 -0.926 1.00 . A A . 7 ALA CB 1 1 3 526 1 1 7 ALA H H -4.640 -0.817 -1.891 1.00 . A A . 7 ALA H 1 1 3 527 1 1 7 ALA HA H -2.146 0.708 -1.984 1.00 . A A . 7 ALA HA 1 1 3 528 1 1 7 ALA HB1 H -3.431 1.892 0.002 1.00 . A A . 7 ALA HB1 1 1 3 529 1 1 7 ALA HB2 H -4.822 1.145 -0.783 1.00 . A A . 7 ALA HB2 1 1 3 530 1 1 7 ALA HB3 H -3.789 2.253 -1.688 1.00 . A A . 7 ALA HB3 1 1 3 531 1 1 7 ALA N N -3.716 -0.622 -2.153 1.00 . A A . 7 ALA N 1 1 3 532 1 1 7 ALA O O -2.295 0.203 0.952 1.00 . A A . 7 ALA O 1 1 3 533 1 1 8 TRP C C 0.188 -2.798 0.309 1.00 . A A . 8 TRP C 1 1 3 534 1 1 8 TRP CA C -1.203 -2.338 0.724 1.00 . A A . 8 TRP CA 1 1 3 535 1 1 8 TRP CB C -2.042 -3.569 1.057 1.00 . A A . 8 TRP CB 1 1 3 536 1 1 8 TRP CD1 C -3.145 -4.287 -1.142 1.00 . A A . 8 TRP CD1 1 1 3 537 1 1 8 TRP CD2 C -1.471 -5.612 -0.468 1.00 . A A . 8 TRP CD2 1 1 3 538 1 1 8 TRP CE2 C -1.984 -6.118 -1.677 1.00 . A A . 8 TRP CE2 1 1 3 539 1 1 8 TRP CE3 C -0.404 -6.275 0.142 1.00 . A A . 8 TRP CE3 1 1 3 540 1 1 8 TRP CG C -2.244 -4.457 -0.130 1.00 . A A . 8 TRP CG 1 1 3 541 1 1 8 TRP CH2 C -0.413 -7.880 -1.672 1.00 . A A . 8 TRP CH2 1 1 3 542 1 1 8 TRP CZ2 C -1.462 -7.255 -2.288 1.00 . A A . 8 TRP CZ2 1 1 3 543 1 1 8 TRP CZ3 C 0.116 -7.400 -0.466 1.00 . A A . 8 TRP CZ3 1 1 3 544 1 1 8 TRP H H -1.875 -1.961 -1.247 1.00 . A A . 8 TRP H 1 1 3 545 1 1 8 TRP HA H -1.126 -1.708 1.597 1.00 . A A . 8 TRP HA 1 1 3 546 1 1 8 TRP HB2 H -1.546 -4.143 1.828 1.00 . A A . 8 TRP HB2 1 1 3 547 1 1 8 TRP HB3 H -3.014 -3.253 1.411 1.00 . A A . 8 TRP HB3 1 1 3 548 1 1 8 TRP HD1 H -3.872 -3.489 -1.182 1.00 . A A . 8 TRP HD1 1 1 3 549 1 1 8 TRP HE1 H -3.554 -5.405 -2.872 1.00 . A A . 8 TRP HE1 1 1 3 550 1 1 8 TRP HE3 H 0.017 -5.920 1.071 1.00 . A A . 8 TRP HE3 1 1 3 551 1 1 8 TRP HH2 H 0.026 -8.763 -2.112 1.00 . A A . 8 TRP HH2 1 1 3 552 1 1 8 TRP HZ2 H -1.858 -7.638 -3.217 1.00 . A A . 8 TRP HZ2 1 1 3 553 1 1 8 TRP HZ3 H 0.946 -7.922 -0.011 1.00 . A A . 8 TRP HZ3 1 1 3 554 1 1 8 TRP N N -1.826 -1.571 -0.348 1.00 . A A . 8 TRP N 1 1 3 555 1 1 8 TRP NE1 N -3.011 -5.297 -2.064 1.00 . A A . 8 TRP NE1 1 1 3 556 1 1 8 TRP O O 1.098 -2.903 1.131 1.00 . A A . 8 TRP O 1 1 3 557 1 1 9 ILE C C 2.720 -2.545 -1.393 1.00 . A A . 9 ILE C 1 1 3 558 1 1 9 ILE CA C 1.582 -3.564 -1.532 1.00 . A A . 9 ILE CA 1 1 3 559 1 1 9 ILE CB C 1.429 -3.953 -3.010 1.00 . A A . 9 ILE CB 1 1 3 560 1 1 9 ILE CD1 C 2.712 -4.790 -5.032 1.00 . A A . 9 ILE CD1 1 1 3 561 1 1 9 ILE CG1 C 2.748 -4.505 -3.548 1.00 . A A . 9 ILE CG1 1 1 3 562 1 1 9 ILE CG2 C 0.960 -2.764 -3.833 1.00 . A A . 9 ILE CG2 1 1 3 563 1 1 9 ILE H H -0.447 -2.997 -1.572 1.00 . A A . 9 ILE H 1 1 3 564 1 1 9 ILE HA H 1.859 -4.454 -0.986 1.00 . A A . 9 ILE HA 1 1 3 565 1 1 9 ILE HB H 0.674 -4.722 -3.078 1.00 . A A . 9 ILE HB 1 1 3 566 1 1 9 ILE HD11 H 3.480 -4.214 -5.527 1.00 . A A . 9 ILE HD11 1 1 3 567 1 1 9 ILE HD12 H 1.745 -4.513 -5.425 1.00 . A A . 9 ILE HD12 1 1 3 568 1 1 9 ILE HD13 H 2.883 -5.842 -5.201 1.00 . A A . 9 ILE HD13 1 1 3 569 1 1 9 ILE HG12 H 3.535 -3.791 -3.356 1.00 . A A . 9 ILE HG12 1 1 3 570 1 1 9 ILE HG13 H 2.975 -5.430 -3.038 1.00 . A A . 9 ILE HG13 1 1 3 571 1 1 9 ILE HG21 H 0.672 -3.100 -4.819 1.00 . A A . 9 ILE HG21 1 1 3 572 1 1 9 ILE HG22 H 1.762 -2.046 -3.918 1.00 . A A . 9 ILE HG22 1 1 3 573 1 1 9 ILE HG23 H 0.113 -2.302 -3.348 1.00 . A A . 9 ILE HG23 1 1 3 574 1 1 9 ILE N N 0.327 -3.091 -0.978 1.00 . A A . 9 ILE N 1 1 3 575 1 1 9 ILE O O 3.857 -2.940 -1.147 1.00 . A A . 9 ILE O 1 1 3 576 1 1 10 PRO C C 4.447 -0.475 -0.261 1.00 . A A . 10 PRO C 1 1 3 577 1 1 10 PRO CA C 3.502 -0.200 -1.427 1.00 . A A . 10 PRO CA 1 1 3 578 1 1 10 PRO CB C 2.717 1.103 -1.193 1.00 . A A . 10 PRO CB 1 1 3 579 1 1 10 PRO CD C 1.163 -0.604 -1.848 1.00 . A A . 10 PRO CD 1 1 3 580 1 1 10 PRO CG C 1.274 0.708 -1.127 1.00 . A A . 10 PRO CG 1 1 3 581 1 1 10 PRO HA H 4.077 -0.116 -2.338 1.00 . A A . 10 PRO HA 1 1 3 582 1 1 10 PRO HB2 H 3.041 1.559 -0.269 1.00 . A A . 10 PRO HB2 1 1 3 583 1 1 10 PRO HB3 H 2.897 1.783 -2.012 1.00 . A A . 10 PRO HB3 1 1 3 584 1 1 10 PRO HD2 H 0.344 -1.180 -1.455 1.00 . A A . 10 PRO HD2 1 1 3 585 1 1 10 PRO HD3 H 1.047 -0.446 -2.911 1.00 . A A . 10 PRO HD3 1 1 3 586 1 1 10 PRO HG2 H 0.976 0.591 -0.096 1.00 . A A . 10 PRO HG2 1 1 3 587 1 1 10 PRO HG3 H 0.664 1.455 -1.613 1.00 . A A . 10 PRO HG3 1 1 3 588 1 1 10 PRO N N 2.458 -1.224 -1.548 1.00 . A A . 10 PRO N 1 1 3 589 1 1 10 PRO O O 5.610 -0.071 -0.278 1.00 . A A . 10 PRO O 1 1 3 590 1 1 11 TYR C C 5.940 -2.381 1.505 1.00 . A A . 11 TYR C 1 1 3 591 1 1 11 TYR CA C 4.731 -1.545 1.908 1.00 . A A . 11 TYR CA 1 1 3 592 1 1 11 TYR CB C 3.872 -2.325 2.903 1.00 . A A . 11 TYR CB 1 1 3 593 1 1 11 TYR CD1 C 1.825 -0.826 2.915 1.00 . A A . 11 TYR CD1 1 1 3 594 1 1 11 TYR CD2 C 2.855 -1.355 4.999 1.00 . A A . 11 TYR CD2 1 1 3 595 1 1 11 TYR CE1 C 0.879 -0.062 3.573 1.00 . A A . 11 TYR CE1 1 1 3 596 1 1 11 TYR CE2 C 1.912 -0.592 5.663 1.00 . A A . 11 TYR CE2 1 1 3 597 1 1 11 TYR CG C 2.829 -1.485 3.615 1.00 . A A . 11 TYR CG 1 1 3 598 1 1 11 TYR CZ C 0.927 0.050 4.946 1.00 . A A . 11 TYR CZ 1 1 3 599 1 1 11 TYR H H 3.015 -1.489 0.686 1.00 . A A . 11 TYR H 1 1 3 600 1 1 11 TYR HA H 5.072 -0.634 2.375 1.00 . A A . 11 TYR HA 1 1 3 601 1 1 11 TYR HB2 H 3.353 -3.111 2.369 1.00 . A A . 11 TYR HB2 1 1 3 602 1 1 11 TYR HB3 H 4.512 -2.768 3.651 1.00 . A A . 11 TYR HB3 1 1 3 603 1 1 11 TYR HD1 H 1.786 -0.914 1.842 1.00 . A A . 11 TYR HD1 1 1 3 604 1 1 11 TYR HD2 H 3.628 -1.858 5.559 1.00 . A A . 11 TYR HD2 1 1 3 605 1 1 11 TYR HE1 H 0.107 0.443 3.012 1.00 . A A . 11 TYR HE1 1 1 3 606 1 1 11 TYR HE2 H 1.950 -0.504 6.739 1.00 . A A . 11 TYR HE2 1 1 3 607 1 1 11 TYR HH H 0.429 1.466 6.149 1.00 . A A . 11 TYR HH 1 1 3 608 1 1 11 TYR N N 3.942 -1.186 0.741 1.00 . A A . 11 TYR N 1 1 3 609 1 1 11 TYR O O 7.026 -2.231 2.063 1.00 . A A . 11 TYR O 1 1 3 610 1 1 11 TYR OH O -0.013 0.811 5.603 1.00 . A A . 11 TYR OH 1 1 3 611 1 1 12 PHE C C 7.778 -3.338 -0.842 1.00 . A A . 12 PHE C 1 1 3 612 1 1 12 PHE CA C 6.816 -4.120 0.046 1.00 . A A . 12 PHE CA 1 1 3 613 1 1 12 PHE CB C 6.253 -5.317 -0.728 1.00 . A A . 12 PHE CB 1 1 3 614 1 1 12 PHE CD1 C 4.197 -5.801 0.642 1.00 . A A . 12 PHE CD1 1 1 3 615 1 1 12 PHE CD2 C 5.803 -7.539 0.348 1.00 . A A . 12 PHE CD2 1 1 3 616 1 1 12 PHE CE1 C 3.419 -6.648 1.409 1.00 . A A . 12 PHE CE1 1 1 3 617 1 1 12 PHE CE2 C 5.028 -8.390 1.112 1.00 . A A . 12 PHE CE2 1 1 3 618 1 1 12 PHE CG C 5.398 -6.237 0.103 1.00 . A A . 12 PHE CG 1 1 3 619 1 1 12 PHE CZ C 3.834 -7.944 1.643 1.00 . A A . 12 PHE CZ 1 1 3 620 1 1 12 PHE H H 4.853 -3.331 0.121 1.00 . A A . 12 PHE H 1 1 3 621 1 1 12 PHE HA H 7.359 -4.484 0.906 1.00 . A A . 12 PHE HA 1 1 3 622 1 1 12 PHE HB2 H 5.646 -4.953 -1.545 1.00 . A A . 12 PHE HB2 1 1 3 623 1 1 12 PHE HB3 H 7.075 -5.897 -1.126 1.00 . A A . 12 PHE HB3 1 1 3 624 1 1 12 PHE HD1 H 3.866 -4.791 0.459 1.00 . A A . 12 PHE HD1 1 1 3 625 1 1 12 PHE HD2 H 6.737 -7.890 -0.068 1.00 . A A . 12 PHE HD2 1 1 3 626 1 1 12 PHE HE1 H 2.485 -6.297 1.824 1.00 . A A . 12 PHE HE1 1 1 3 627 1 1 12 PHE HE2 H 5.355 -9.403 1.293 1.00 . A A . 12 PHE HE2 1 1 3 628 1 1 12 PHE HZ H 3.227 -8.608 2.241 1.00 . A A . 12 PHE HZ 1 1 3 629 1 1 12 PHE N N 5.742 -3.262 0.529 1.00 . A A . 12 PHE N 1 1 3 630 1 1 12 PHE O O 8.958 -3.673 -0.943 1.00 . A A . 12 PHE O 1 1 3 631 1 1 13 GLY C C 7.875 0.005 -2.149 1.00 . A A . 13 GLY C 1 1 3 632 1 1 13 GLY CA C 8.095 -1.481 -2.358 1.00 . A A . 13 GLY CA 1 1 3 633 1 1 13 GLY H H 6.318 -2.072 -1.370 1.00 . A A . 13 GLY H 1 1 3 634 1 1 13 GLY HA2 H 9.133 -1.711 -2.166 1.00 . A A . 13 GLY HA2 1 1 3 635 1 1 13 GLY HA3 H 7.867 -1.727 -3.385 1.00 . A A . 13 GLY HA3 1 1 3 636 1 1 13 GLY N N 7.266 -2.294 -1.488 1.00 . A A . 13 GLY N 1 1 3 637 1 1 13 GLY O O 7.266 0.667 -2.990 1.00 . A A . 13 GLY O 1 1 3 638 1 1 14 PRO C C 8.818 2.881 -1.804 1.00 . A A . 14 PRO C 1 1 3 639 1 1 14 PRO CA C 8.210 1.990 -0.725 1.00 . A A . 14 PRO CA 1 1 3 640 1 1 14 PRO CB C 8.955 2.169 0.605 1.00 . A A . 14 PRO CB 1 1 3 641 1 1 14 PRO CD C 9.102 -0.148 0.027 1.00 . A A . 14 PRO CD 1 1 3 642 1 1 14 PRO CG C 9.820 0.960 0.741 1.00 . A A . 14 PRO CG 1 1 3 643 1 1 14 PRO HA H 7.170 2.253 -0.594 1.00 . A A . 14 PRO HA 1 1 3 644 1 1 14 PRO HB2 H 9.548 3.073 0.568 1.00 . A A . 14 PRO HB2 1 1 3 645 1 1 14 PRO HB3 H 8.241 2.233 1.414 1.00 . A A . 14 PRO HB3 1 1 3 646 1 1 14 PRO HD2 H 9.810 -0.845 -0.399 1.00 . A A . 14 PRO HD2 1 1 3 647 1 1 14 PRO HD3 H 8.423 -0.655 0.696 1.00 . A A . 14 PRO HD3 1 1 3 648 1 1 14 PRO HG2 H 10.780 1.140 0.282 1.00 . A A . 14 PRO HG2 1 1 3 649 1 1 14 PRO HG3 H 9.942 0.713 1.784 1.00 . A A . 14 PRO HG3 1 1 3 650 1 1 14 PRO N N 8.364 0.564 -1.030 1.00 . A A . 14 PRO N 1 1 3 651 1 1 14 PRO O O 8.099 3.523 -2.570 1.00 . A A . 14 PRO O 1 1 3 652 1 1 15 ALA C C 10.478 5.198 -2.712 1.00 . A A . 15 ALA C 1 1 3 653 1 1 15 ALA CA C 10.849 3.725 -2.847 1.00 . A A . 15 ALA CA 1 1 3 654 1 1 15 ALA CB C 10.543 3.228 -4.252 1.00 . A A . 15 ALA CB 1 1 3 655 1 1 15 ALA H H 10.666 2.380 -1.224 1.00 . A A . 15 ALA H 1 1 3 656 1 1 15 ALA HA H 11.909 3.615 -2.675 1.00 . A A . 15 ALA HA 1 1 3 657 1 1 15 ALA HB1 H 9.637 3.695 -4.610 1.00 . A A . 15 ALA HB1 1 1 3 658 1 1 15 ALA HB2 H 10.414 2.156 -4.234 1.00 . A A . 15 ALA HB2 1 1 3 659 1 1 15 ALA HB3 H 11.361 3.481 -4.909 1.00 . A A . 15 ALA HB3 1 1 3 660 1 1 15 ALA N N 10.146 2.914 -1.861 1.00 . A A . 15 ALA N 1 1 3 661 1 1 15 ALA O O 9.454 5.641 -3.234 1.00 . A A . 15 ALA O 1 1 3 662 1 1 16 ALA C C 12.370 8.107 -1.463 1.00 . A A . 16 ALA C 1 1 3 663 1 1 16 ALA CA C 11.076 7.377 -1.807 1.00 . A A . 16 ALA CA 1 1 3 664 1 1 16 ALA CB C 10.042 7.584 -0.712 1.00 . A A . 16 ALA CB 1 1 3 665 1 1 16 ALA H H 12.117 5.542 -1.620 1.00 . A A . 16 ALA H 1 1 3 666 1 1 16 ALA HA H 10.679 7.781 -2.726 1.00 . A A . 16 ALA HA 1 1 3 667 1 1 16 ALA HB1 H 10.543 7.815 0.217 1.00 . A A . 16 ALA HB1 1 1 3 668 1 1 16 ALA HB2 H 9.457 6.685 -0.592 1.00 . A A . 16 ALA HB2 1 1 3 669 1 1 16 ALA HB3 H 9.392 8.404 -0.982 1.00 . A A . 16 ALA HB3 1 1 3 670 1 1 16 ALA N N 11.316 5.953 -2.010 1.00 . A A . 16 ALA N 1 1 3 671 1 1 16 ALA O O 13.426 7.444 -1.407 1.00 . A A . 16 ALA O 1 1 3 672 1 1 16 ALA OXT O 12.315 9.338 -1.255 1.00 . A A . 16 ALA OXT 1 1 4 673 1 1 1 GLY C C -6.531 5.401 3.007 1.00 . A A . 1 GLY C 1 1 4 674 1 1 1 GLY CA C -6.400 4.925 4.442 1.00 . A A . 1 GLY CA 1 1 4 675 1 1 1 GLY H1 H -4.336 5.089 4.162 1.00 . A A . 1 GLY H1 1 1 4 676 1 1 1 GLY H2 H -4.830 3.581 4.747 1.00 . A A . 1 GLY H2 1 1 4 677 1 1 1 GLY H3 H -4.796 4.920 5.780 1.00 . A A . 1 GLY H3 1 1 4 678 1 1 1 GLY HA2 H -7.003 4.041 4.573 1.00 . A A . 1 GLY HA2 1 1 4 679 1 1 1 GLY HA3 H -6.765 5.699 5.101 1.00 . A A . 1 GLY HA3 1 1 4 680 1 1 1 GLY N N -4.992 4.607 4.808 1.00 . A A . 1 GLY N 1 1 4 681 1 1 1 GLY O O -6.714 6.593 2.756 1.00 . A A . 1 GLY O 1 1 4 682 1 1 2 ALA C C -7.820 4.207 0.046 1.00 . A A . 2 ALA C 1 1 4 683 1 1 2 ALA CA C -6.552 4.798 0.650 1.00 . A A . 2 ALA CA 1 1 4 684 1 1 2 ALA CB C -5.326 4.303 -0.104 1.00 . A A . 2 ALA CB 1 1 4 685 1 1 2 ALA H H -6.295 3.535 2.330 1.00 . A A . 2 ALA H 1 1 4 686 1 1 2 ALA HA H -6.589 5.873 0.561 1.00 . A A . 2 ALA HA 1 1 4 687 1 1 2 ALA HB1 H -5.333 4.707 -1.105 1.00 . A A . 2 ALA HB1 1 1 4 688 1 1 2 ALA HB2 H -5.345 3.224 -0.152 1.00 . A A . 2 ALA HB2 1 1 4 689 1 1 2 ALA HB3 H -4.433 4.626 0.408 1.00 . A A . 2 ALA HB3 1 1 4 690 1 1 2 ALA N N -6.440 4.468 2.065 1.00 . A A . 2 ALA N 1 1 4 691 1 1 2 ALA O O -8.524 4.871 -0.717 1.00 . A A . 2 ALA O 1 1 4 692 1 1 3 ALA C C -9.273 2.211 -1.643 1.00 . A A . 3 ALA C 1 1 4 693 1 1 3 ALA CA C -9.294 2.278 -0.119 1.00 . A A . 3 ALA CA 1 1 4 694 1 1 3 ALA CB C -10.553 2.980 0.366 1.00 . A A . 3 ALA CB 1 1 4 695 1 1 3 ALA H H -7.510 2.478 1.001 1.00 . A A . 3 ALA H 1 1 4 696 1 1 3 ALA HA H -9.296 1.271 0.275 1.00 . A A . 3 ALA HA 1 1 4 697 1 1 3 ALA HB1 H -10.848 2.570 1.321 1.00 . A A . 3 ALA HB1 1 1 4 698 1 1 3 ALA HB2 H -11.348 2.831 -0.350 1.00 . A A . 3 ALA HB2 1 1 4 699 1 1 3 ALA HB3 H -10.358 4.037 0.472 1.00 . A A . 3 ALA HB3 1 1 4 700 1 1 3 ALA N N -8.109 2.956 0.391 1.00 . A A . 3 ALA N 1 1 4 701 1 1 3 ALA O O -10.235 2.601 -2.307 1.00 . A A . 3 ALA O 1 1 4 702 1 1 4 ILE C C -8.030 0.138 -4.078 1.00 . A A . 4 ILE C 1 1 4 703 1 1 4 ILE CA C -8.021 1.601 -3.639 1.00 . A A . 4 ILE CA 1 1 4 704 1 1 4 ILE CB C -6.712 2.261 -4.120 1.00 . A A . 4 ILE CB 1 1 4 705 1 1 4 ILE CD1 C -5.398 4.441 -4.095 1.00 . A A . 4 ILE CD1 1 1 4 706 1 1 4 ILE CG1 C -6.657 3.719 -3.663 1.00 . A A . 4 ILE CG1 1 1 4 707 1 1 4 ILE CG2 C -6.593 2.168 -5.635 1.00 . A A . 4 ILE CG2 1 1 4 708 1 1 4 ILE H H -7.437 1.423 -1.613 1.00 . A A . 4 ILE H 1 1 4 709 1 1 4 ILE HA H -8.850 2.111 -4.103 1.00 . A A . 4 ILE HA 1 1 4 710 1 1 4 ILE HB H -5.883 1.723 -3.685 1.00 . A A . 4 ILE HB 1 1 4 711 1 1 4 ILE HD11 H -5.212 4.243 -5.140 1.00 . A A . 4 ILE HD11 1 1 4 712 1 1 4 ILE HD12 H -4.563 4.091 -3.508 1.00 . A A . 4 ILE HD12 1 1 4 713 1 1 4 ILE HD13 H -5.525 5.503 -3.947 1.00 . A A . 4 ILE HD13 1 1 4 714 1 1 4 ILE HG12 H -7.501 4.251 -4.074 1.00 . A A . 4 ILE HG12 1 1 4 715 1 1 4 ILE HG13 H -6.705 3.753 -2.585 1.00 . A A . 4 ILE HG13 1 1 4 716 1 1 4 ILE HG21 H -7.570 1.998 -6.063 1.00 . A A . 4 ILE HG21 1 1 4 717 1 1 4 ILE HG22 H -5.938 1.351 -5.896 1.00 . A A . 4 ILE HG22 1 1 4 718 1 1 4 ILE HG23 H -6.187 3.093 -6.022 1.00 . A A . 4 ILE HG23 1 1 4 719 1 1 4 ILE N N -8.169 1.717 -2.193 1.00 . A A . 4 ILE N 1 1 4 720 1 1 4 ILE O O -8.231 -0.165 -5.253 1.00 . A A . 4 ILE O 1 1 4 721 1 1 5 GLY C C -6.374 -2.684 -3.730 1.00 . A A . 5 GLY C 1 1 4 722 1 1 5 GLY CA C -7.776 -2.178 -3.442 1.00 . A A . 5 GLY CA 1 1 4 723 1 1 5 GLY H H -7.637 -0.463 -2.211 1.00 . A A . 5 GLY H 1 1 4 724 1 1 5 GLY HA2 H -8.180 -2.727 -2.604 1.00 . A A . 5 GLY HA2 1 1 4 725 1 1 5 GLY HA3 H -8.395 -2.355 -4.308 1.00 . A A . 5 GLY HA3 1 1 4 726 1 1 5 GLY N N -7.799 -0.762 -3.130 1.00 . A A . 5 GLY N 1 1 4 727 1 1 5 GLY O O -6.188 -3.850 -4.079 1.00 . A A . 5 GLY O 1 1 4 728 1 1 6 LEU C C -3.049 -1.207 -3.118 1.00 . A A . 6 LEU C 1 1 4 729 1 1 6 LEU CA C -3.995 -2.175 -3.830 1.00 . A A . 6 LEU CA 1 1 4 730 1 1 6 LEU CB C -3.713 -2.185 -5.336 1.00 . A A . 6 LEU CB 1 1 4 731 1 1 6 LEU CD1 C -2.057 -4.066 -5.234 1.00 . A A . 6 LEU CD1 1 1 4 732 1 1 6 LEU CD2 C -2.156 -2.601 -7.255 1.00 . A A . 6 LEU CD2 1 1 4 733 1 1 6 LEU CG C -2.313 -2.657 -5.744 1.00 . A A . 6 LEU CG 1 1 4 734 1 1 6 LEU H H -5.590 -0.892 -3.302 1.00 . A A . 6 LEU H 1 1 4 735 1 1 6 LEU HA H -3.838 -3.168 -3.436 1.00 . A A . 6 LEU HA 1 1 4 736 1 1 6 LEU HB2 H -4.438 -2.831 -5.810 1.00 . A A . 6 LEU HB2 1 1 4 737 1 1 6 LEU HB3 H -3.853 -1.183 -5.713 1.00 . A A . 6 LEU HB3 1 1 4 738 1 1 6 LEU HD11 H -1.090 -4.403 -5.579 1.00 . A A . 6 LEU HD11 1 1 4 739 1 1 6 LEU HD12 H -2.824 -4.729 -5.606 1.00 . A A . 6 LEU HD12 1 1 4 740 1 1 6 LEU HD13 H -2.074 -4.067 -4.154 1.00 . A A . 6 LEU HD13 1 1 4 741 1 1 6 LEU HD21 H -2.598 -3.482 -7.696 1.00 . A A . 6 LEU HD21 1 1 4 742 1 1 6 LEU HD22 H -1.106 -2.562 -7.506 1.00 . A A . 6 LEU HD22 1 1 4 743 1 1 6 LEU HD23 H -2.650 -1.719 -7.638 1.00 . A A . 6 LEU HD23 1 1 4 744 1 1 6 LEU HG H -1.575 -2.004 -5.306 1.00 . A A . 6 LEU HG 1 1 4 745 1 1 6 LEU N N -5.383 -1.807 -3.583 1.00 . A A . 6 LEU N 1 1 4 746 1 1 6 LEU O O -1.926 -0.974 -3.564 1.00 . A A . 6 LEU O 1 1 4 747 1 1 7 ALA C C -1.924 -0.420 -0.130 1.00 . A A . 7 ALA C 1 1 4 748 1 1 7 ALA CA C -2.708 0.291 -1.229 1.00 . A A . 7 ALA CA 1 1 4 749 1 1 7 ALA CB C -3.593 1.366 -0.628 1.00 . A A . 7 ALA CB 1 1 4 750 1 1 7 ALA H H -4.415 -0.872 -1.695 1.00 . A A . 7 ALA H 1 1 4 751 1 1 7 ALA HA H -2.011 0.768 -1.903 1.00 . A A . 7 ALA HA 1 1 4 752 1 1 7 ALA HB1 H -3.839 1.100 0.390 1.00 . A A . 7 ALA HB1 1 1 4 753 1 1 7 ALA HB2 H -4.500 1.452 -1.207 1.00 . A A . 7 ALA HB2 1 1 4 754 1 1 7 ALA HB3 H -3.069 2.310 -0.635 1.00 . A A . 7 ALA HB3 1 1 4 755 1 1 7 ALA N N -3.512 -0.648 -2.003 1.00 . A A . 7 ALA N 1 1 4 756 1 1 7 ALA O O -1.517 0.198 0.854 1.00 . A A . 7 ALA O 1 1 4 757 1 1 8 TRP C C 0.414 -2.864 0.131 1.00 . A A . 8 TRP C 1 1 4 758 1 1 8 TRP CA C -0.971 -2.512 0.666 1.00 . A A . 8 TRP CA 1 1 4 759 1 1 8 TRP CB C -1.733 -3.792 1.007 1.00 . A A . 8 TRP CB 1 1 4 760 1 1 8 TRP CD1 C -3.106 -4.327 -1.091 1.00 . A A . 8 TRP CD1 1 1 4 761 1 1 8 TRP CD2 C -1.441 -5.762 -0.683 1.00 . A A . 8 TRP CD2 1 1 4 762 1 1 8 TRP CE2 C -2.108 -6.171 -1.853 1.00 . A A . 8 TRP CE2 1 1 4 763 1 1 8 TRP CE3 C -0.353 -6.508 -0.232 1.00 . A A . 8 TRP CE3 1 1 4 764 1 1 8 TRP CG C -2.104 -4.592 -0.203 1.00 . A A . 8 TRP CG 1 1 4 765 1 1 8 TRP CH2 C -0.644 -8.003 -2.114 1.00 . A A . 8 TRP CH2 1 1 4 766 1 1 8 TRP CZ2 C -1.719 -7.293 -2.576 1.00 . A A . 8 TRP CZ2 1 1 4 767 1 1 8 TRP CZ3 C 0.037 -7.618 -0.952 1.00 . A A . 8 TRP CZ3 1 1 4 768 1 1 8 TRP H H -2.053 -2.153 -1.111 1.00 . A A . 8 TRP H 1 1 4 769 1 1 8 TRP HA H -0.857 -1.920 1.562 1.00 . A A . 8 TRP HA 1 1 4 770 1 1 8 TRP HB2 H -1.117 -4.414 1.642 1.00 . A A . 8 TRP HB2 1 1 4 771 1 1 8 TRP HB3 H -2.644 -3.534 1.530 1.00 . A A . 8 TRP HB3 1 1 4 772 1 1 8 TRP HD1 H -3.791 -3.495 -1.007 1.00 . A A . 8 TRP HD1 1 1 4 773 1 1 8 TRP HE1 H -3.760 -5.318 -2.825 1.00 . A A . 8 TRP HE1 1 1 4 774 1 1 8 TRP HE3 H 0.186 -6.227 0.662 1.00 . A A . 8 TRP HE3 1 1 4 775 1 1 8 TRP HH2 H -0.304 -8.878 -2.645 1.00 . A A . 8 TRP HH2 1 1 4 776 1 1 8 TRP HZ2 H -2.233 -7.603 -3.474 1.00 . A A . 8 TRP HZ2 1 1 4 777 1 1 8 TRP HZ3 H 0.883 -8.199 -0.621 1.00 . A A . 8 TRP HZ3 1 1 4 778 1 1 8 TRP N N -1.710 -1.718 -0.306 1.00 . A A . 8 TRP N 1 1 4 779 1 1 8 TRP NE1 N -3.126 -5.282 -2.078 1.00 . A A . 8 TRP NE1 1 1 4 780 1 1 8 TRP O O 1.396 -2.865 0.871 1.00 . A A . 8 TRP O 1 1 4 781 1 1 9 ILE C C 2.803 -2.421 -1.601 1.00 . A A . 9 ILE C 1 1 4 782 1 1 9 ILE CA C 1.745 -3.502 -1.809 1.00 . A A . 9 ILE CA 1 1 4 783 1 1 9 ILE CB C 1.562 -3.808 -3.317 1.00 . A A . 9 ILE CB 1 1 4 784 1 1 9 ILE CD1 C 3.766 -2.793 -4.174 1.00 . A A . 9 ILE CD1 1 1 4 785 1 1 9 ILE CG1 C 2.919 -4.039 -3.998 1.00 . A A . 9 ILE CG1 1 1 4 786 1 1 9 ILE CG2 C 0.773 -2.708 -4.017 1.00 . A A . 9 ILE CG2 1 1 4 787 1 1 9 ILE H H -0.341 -3.129 -1.700 1.00 . A A . 9 ILE H 1 1 4 788 1 1 9 ILE HA H 2.113 -4.408 -1.333 1.00 . A A . 9 ILE HA 1 1 4 789 1 1 9 ILE HB H 0.983 -4.716 -3.394 1.00 . A A . 9 ILE HB 1 1 4 790 1 1 9 ILE HD11 H 3.171 -1.916 -3.979 1.00 . A A . 9 ILE HD11 1 1 4 791 1 1 9 ILE HD12 H 4.144 -2.755 -5.185 1.00 . A A . 9 ILE HD12 1 1 4 792 1 1 9 ILE HD13 H 4.594 -2.824 -3.482 1.00 . A A . 9 ILE HD13 1 1 4 793 1 1 9 ILE HG12 H 3.489 -4.725 -3.392 1.00 . A A . 9 ILE HG12 1 1 4 794 1 1 9 ILE HG13 H 2.757 -4.475 -4.973 1.00 . A A . 9 ILE HG13 1 1 4 795 1 1 9 ILE HG21 H 1.429 -1.895 -4.276 1.00 . A A . 9 ILE HG21 1 1 4 796 1 1 9 ILE HG22 H -0.002 -2.347 -3.360 1.00 . A A . 9 ILE HG22 1 1 4 797 1 1 9 ILE HG23 H 0.325 -3.107 -4.915 1.00 . A A . 9 ILE HG23 1 1 4 798 1 1 9 ILE N N 0.481 -3.155 -1.164 1.00 . A A . 9 ILE N 1 1 4 799 1 1 9 ILE O O 3.955 -2.746 -1.313 1.00 . A A . 9 ILE O 1 1 4 800 1 1 10 PRO C C 4.281 -0.322 -0.278 1.00 . A A . 10 PRO C 1 1 4 801 1 1 10 PRO CA C 3.416 -0.037 -1.499 1.00 . A A . 10 PRO CA 1 1 4 802 1 1 10 PRO CB C 2.533 1.201 -1.264 1.00 . A A . 10 PRO CB 1 1 4 803 1 1 10 PRO CD C 1.126 -0.581 -2.023 1.00 . A A . 10 PRO CD 1 1 4 804 1 1 10 PRO CG C 1.126 0.691 -1.228 1.00 . A A . 10 PRO CG 1 1 4 805 1 1 10 PRO HA H 4.046 0.116 -2.362 1.00 . A A . 10 PRO HA 1 1 4 806 1 1 10 PRO HB2 H 2.806 1.661 -0.325 1.00 . A A . 10 PRO HB2 1 1 4 807 1 1 10 PRO HB3 H 2.677 1.905 -2.069 1.00 . A A . 10 PRO HB3 1 1 4 808 1 1 10 PRO HD2 H 0.340 -1.236 -1.686 1.00 . A A . 10 PRO HD2 1 1 4 809 1 1 10 PRO HD3 H 1.028 -0.372 -3.079 1.00 . A A . 10 PRO HD3 1 1 4 810 1 1 10 PRO HG2 H 0.836 0.492 -0.208 1.00 . A A . 10 PRO HG2 1 1 4 811 1 1 10 PRO HG3 H 0.461 1.415 -1.676 1.00 . A A . 10 PRO HG3 1 1 4 812 1 1 10 PRO N N 2.452 -1.119 -1.714 1.00 . A A . 10 PRO N 1 1 4 813 1 1 10 PRO O O 5.444 0.074 -0.209 1.00 . A A . 10 PRO O 1 1 4 814 1 1 11 TYR C C 5.653 -2.199 1.561 1.00 . A A . 11 TYR C 1 1 4 815 1 1 11 TYR CA C 4.377 -1.437 1.888 1.00 . A A . 11 TYR CA 1 1 4 816 1 1 11 TYR CB C 3.460 -2.328 2.728 1.00 . A A . 11 TYR CB 1 1 4 817 1 1 11 TYR CD1 C 1.912 -0.320 2.887 1.00 . A A . 11 TYR CD1 1 1 4 818 1 1 11 TYR CD2 C 1.254 -2.349 3.954 1.00 . A A . 11 TYR CD2 1 1 4 819 1 1 11 TYR CE1 C 0.751 0.290 3.320 1.00 . A A . 11 TYR CE1 1 1 4 820 1 1 11 TYR CE2 C 0.088 -1.745 4.390 1.00 . A A . 11 TYR CE2 1 1 4 821 1 1 11 TYR CG C 2.185 -1.650 3.197 1.00 . A A . 11 TYR CG 1 1 4 822 1 1 11 TYR CZ C -0.158 -0.427 4.070 1.00 . A A . 11 TYR CZ 1 1 4 823 1 1 11 TYR H H 2.767 -1.339 0.537 1.00 . A A . 11 TYR H 1 1 4 824 1 1 11 TYR HA H 4.620 -0.547 2.445 1.00 . A A . 11 TYR HA 1 1 4 825 1 1 11 TYR HB2 H 3.176 -3.188 2.134 1.00 . A A . 11 TYR HB2 1 1 4 826 1 1 11 TYR HB3 H 4.001 -2.664 3.600 1.00 . A A . 11 TYR HB3 1 1 4 827 1 1 11 TYR HD1 H 2.625 0.239 2.300 1.00 . A A . 11 TYR HD1 1 1 4 828 1 1 11 TYR HD2 H 1.448 -3.381 4.205 1.00 . A A . 11 TYR HD2 1 1 4 829 1 1 11 TYR HE1 H 0.557 1.321 3.069 1.00 . A A . 11 TYR HE1 1 1 4 830 1 1 11 TYR HE2 H -0.622 -2.305 4.979 1.00 . A A . 11 TYR HE2 1 1 4 831 1 1 11 TYR HH H -1.432 0.012 5.442 1.00 . A A . 11 TYR HH 1 1 4 832 1 1 11 TYR N N 3.691 -1.046 0.670 1.00 . A A . 11 TYR N 1 1 4 833 1 1 11 TYR O O 6.737 -1.842 2.025 1.00 . A A . 11 TYR O 1 1 4 834 1 1 11 TYR OH O -1.316 0.177 4.502 1.00 . A A . 11 TYR OH 1 1 4 835 1 1 12 PHE C C 7.085 -3.834 -1.058 1.00 . A A . 12 PHE C 1 1 4 836 1 1 12 PHE CA C 6.663 -4.072 0.391 1.00 . A A . 12 PHE CA 1 1 4 837 1 1 12 PHE CB C 6.358 -5.553 0.625 1.00 . A A . 12 PHE CB 1 1 4 838 1 1 12 PHE CD1 C 5.188 -6.175 -1.506 1.00 . A A . 12 PHE CD1 1 1 4 839 1 1 12 PHE CD2 C 4.029 -6.461 0.558 1.00 . A A . 12 PHE CD2 1 1 4 840 1 1 12 PHE CE1 C 4.096 -6.663 -2.192 1.00 . A A . 12 PHE CE1 1 1 4 841 1 1 12 PHE CE2 C 2.933 -6.946 -0.123 1.00 . A A . 12 PHE CE2 1 1 4 842 1 1 12 PHE CG C 5.167 -6.070 -0.124 1.00 . A A . 12 PHE CG 1 1 4 843 1 1 12 PHE CZ C 2.967 -7.048 -1.501 1.00 . A A . 12 PHE CZ 1 1 4 844 1 1 12 PHE H H 4.618 -3.499 0.432 1.00 . A A . 12 PHE H 1 1 4 845 1 1 12 PHE HA H 7.485 -3.787 1.033 1.00 . A A . 12 PHE HA 1 1 4 846 1 1 12 PHE HB2 H 7.205 -6.133 0.310 1.00 . A A . 12 PHE HB2 1 1 4 847 1 1 12 PHE HB3 H 6.183 -5.714 1.681 1.00 . A A . 12 PHE HB3 1 1 4 848 1 1 12 PHE HD1 H 6.070 -5.874 -2.046 1.00 . A A . 12 PHE HD1 1 1 4 849 1 1 12 PHE HD2 H 4.003 -6.383 1.635 1.00 . A A . 12 PHE HD2 1 1 4 850 1 1 12 PHE HE1 H 4.124 -6.738 -3.268 1.00 . A A . 12 PHE HE1 1 1 4 851 1 1 12 PHE HE2 H 2.051 -7.247 0.423 1.00 . A A . 12 PHE HE2 1 1 4 852 1 1 12 PHE HZ H 2.113 -7.431 -2.039 1.00 . A A . 12 PHE HZ 1 1 4 853 1 1 12 PHE N N 5.516 -3.256 0.766 1.00 . A A . 12 PHE N 1 1 4 854 1 1 12 PHE O O 7.773 -4.662 -1.655 1.00 . A A . 12 PHE O 1 1 4 855 1 1 13 GLY C C 6.758 -0.928 -3.339 1.00 . A A . 13 GLY C 1 1 4 856 1 1 13 GLY CA C 7.047 -2.374 -2.983 1.00 . A A . 13 GLY CA 1 1 4 857 1 1 13 GLY H H 6.148 -2.063 -1.089 1.00 . A A . 13 GLY H 1 1 4 858 1 1 13 GLY HA2 H 8.103 -2.562 -3.116 1.00 . A A . 13 GLY HA2 1 1 4 859 1 1 13 GLY HA3 H 6.493 -3.017 -3.650 1.00 . A A . 13 GLY HA3 1 1 4 860 1 1 13 GLY N N 6.685 -2.694 -1.614 1.00 . A A . 13 GLY N 1 1 4 861 1 1 13 GLY O O 5.810 -0.644 -4.070 1.00 . A A . 13 GLY O 1 1 4 862 1 1 14 PRO C C 7.379 1.749 -4.606 1.00 . A A . 14 PRO C 1 1 4 863 1 1 14 PRO CA C 7.383 1.448 -3.111 1.00 . A A . 14 PRO CA 1 1 4 864 1 1 14 PRO CB C 8.591 2.106 -2.436 1.00 . A A . 14 PRO CB 1 1 4 865 1 1 14 PRO CD C 8.722 -0.227 -1.950 1.00 . A A . 14 PRO CD 1 1 4 866 1 1 14 PRO CG C 9.026 1.135 -1.395 1.00 . A A . 14 PRO CG 1 1 4 867 1 1 14 PRO HA H 6.472 1.821 -2.668 1.00 . A A . 14 PRO HA 1 1 4 868 1 1 14 PRO HB2 H 9.369 2.274 -3.170 1.00 . A A . 14 PRO HB2 1 1 4 869 1 1 14 PRO HB3 H 8.292 3.048 -1.996 1.00 . A A . 14 PRO HB3 1 1 4 870 1 1 14 PRO HD2 H 9.565 -0.602 -2.513 1.00 . A A . 14 PRO HD2 1 1 4 871 1 1 14 PRO HD3 H 8.461 -0.911 -1.156 1.00 . A A . 14 PRO HD3 1 1 4 872 1 1 14 PRO HG2 H 10.086 1.239 -1.215 1.00 . A A . 14 PRO HG2 1 1 4 873 1 1 14 PRO HG3 H 8.472 1.301 -0.483 1.00 . A A . 14 PRO HG3 1 1 4 874 1 1 14 PRO N N 7.567 0.019 -2.833 1.00 . A A . 14 PRO N 1 1 4 875 1 1 14 PRO O O 6.384 2.227 -5.150 1.00 . A A . 14 PRO O 1 1 4 876 1 1 15 ALA C C 8.348 0.438 -7.492 1.00 . A A . 15 ALA C 1 1 4 877 1 1 15 ALA CA C 8.627 1.710 -6.695 1.00 . A A . 15 ALA CA 1 1 4 878 1 1 15 ALA CB C 10.013 2.246 -7.018 1.00 . A A . 15 ALA CB 1 1 4 879 1 1 15 ALA H H 9.259 1.088 -4.773 1.00 . A A . 15 ALA H 1 1 4 880 1 1 15 ALA HA H 7.902 2.461 -6.972 1.00 . A A . 15 ALA HA 1 1 4 881 1 1 15 ALA HB1 H 9.942 2.961 -7.825 1.00 . A A . 15 ALA HB1 1 1 4 882 1 1 15 ALA HB2 H 10.655 1.430 -7.315 1.00 . A A . 15 ALA HB2 1 1 4 883 1 1 15 ALA HB3 H 10.425 2.730 -6.144 1.00 . A A . 15 ALA HB3 1 1 4 884 1 1 15 ALA N N 8.500 1.467 -5.263 1.00 . A A . 15 ALA N 1 1 4 885 1 1 15 ALA O O 9.257 -0.154 -8.074 1.00 . A A . 15 ALA O 1 1 4 886 1 1 16 ALA C C 5.175 -1.371 -8.189 1.00 . A A . 16 ALA C 1 1 4 887 1 1 16 ALA CA C 6.687 -1.175 -8.242 1.00 . A A . 16 ALA CA 1 1 4 888 1 1 16 ALA CB C 7.400 -2.394 -7.677 1.00 . A A . 16 ALA CB 1 1 4 889 1 1 16 ALA H H 6.405 0.540 -7.032 1.00 . A A . 16 ALA H 1 1 4 890 1 1 16 ALA HA H 6.987 -1.055 -9.272 1.00 . A A . 16 ALA HA 1 1 4 891 1 1 16 ALA HB1 H 8.382 -2.108 -7.330 1.00 . A A . 16 ALA HB1 1 1 4 892 1 1 16 ALA HB2 H 7.495 -3.144 -8.450 1.00 . A A . 16 ALA HB2 1 1 4 893 1 1 16 ALA HB3 H 6.828 -2.796 -6.855 1.00 . A A . 16 ALA HB3 1 1 4 894 1 1 16 ALA N N 7.086 0.026 -7.515 1.00 . A A . 16 ALA N 1 1 4 895 1 1 16 ALA O O 4.476 -0.815 -9.060 1.00 . A A . 16 ALA O 1 1 4 896 1 1 16 ALA OXT O 4.704 -2.081 -7.275 1.00 . A A . 16 ALA OXT 1 1 5 897 1 1 1 GLY C C -5.464 -1.409 3.145 1.00 . A A . 1 GLY C 1 1 5 898 1 1 1 GLY CA C -4.275 -0.979 3.980 1.00 . A A . 1 GLY CA 1 1 5 899 1 1 1 GLY H1 H -3.839 -1.207 6.011 1.00 . A A . 1 GLY H1 1 1 5 900 1 1 1 GLY H2 H -5.482 -1.361 5.640 1.00 . A A . 1 GLY H2 1 1 5 901 1 1 1 GLY H3 H -4.760 0.169 5.658 1.00 . A A . 1 GLY H3 1 1 5 902 1 1 1 GLY HA2 H -3.913 -0.030 3.610 1.00 . A A . 1 GLY HA2 1 1 5 903 1 1 1 GLY HA3 H -3.490 -1.715 3.876 1.00 . A A . 1 GLY HA3 1 1 5 904 1 1 1 GLY N N -4.612 -0.835 5.423 1.00 . A A . 1 GLY N 1 1 5 905 1 1 1 GLY O O -5.426 -2.449 2.488 1.00 . A A . 1 GLY O 1 1 5 906 1 1 2 ALA C C -8.427 0.367 1.950 1.00 . A A . 2 ALA C 1 1 5 907 1 1 2 ALA CA C -7.730 -0.909 2.410 1.00 . A A . 2 ALA CA 1 1 5 908 1 1 2 ALA CB C -8.677 -1.759 3.244 1.00 . A A . 2 ALA CB 1 1 5 909 1 1 2 ALA H H -6.493 0.210 3.713 1.00 . A A . 2 ALA H 1 1 5 910 1 1 2 ALA HA H -7.441 -1.482 1.542 1.00 . A A . 2 ALA HA 1 1 5 911 1 1 2 ALA HB1 H -9.358 -2.286 2.589 1.00 . A A . 2 ALA HB1 1 1 5 912 1 1 2 ALA HB2 H -9.240 -1.123 3.911 1.00 . A A . 2 ALA HB2 1 1 5 913 1 1 2 ALA HB3 H -8.109 -2.473 3.821 1.00 . A A . 2 ALA HB3 1 1 5 914 1 1 2 ALA N N -6.523 -0.606 3.170 1.00 . A A . 2 ALA N 1 1 5 915 1 1 2 ALA O O -9.649 0.399 1.804 1.00 . A A . 2 ALA O 1 1 5 916 1 1 3 ALA C C -8.741 2.583 -0.140 1.00 . A A . 3 ALA C 1 1 5 917 1 1 3 ALA CA C -8.185 2.692 1.277 1.00 . A A . 3 ALA CA 1 1 5 918 1 1 3 ALA CB C -7.118 3.773 1.346 1.00 . A A . 3 ALA CB 1 1 5 919 1 1 3 ALA H H -6.676 1.327 1.856 1.00 . A A . 3 ALA H 1 1 5 920 1 1 3 ALA HA H -8.987 2.966 1.946 1.00 . A A . 3 ALA HA 1 1 5 921 1 1 3 ALA HB1 H -7.548 4.722 1.067 1.00 . A A . 3 ALA HB1 1 1 5 922 1 1 3 ALA HB2 H -6.314 3.529 0.667 1.00 . A A . 3 ALA HB2 1 1 5 923 1 1 3 ALA HB3 H -6.732 3.834 2.353 1.00 . A A . 3 ALA HB3 1 1 5 924 1 1 3 ALA N N -7.642 1.415 1.723 1.00 . A A . 3 ALA N 1 1 5 925 1 1 3 ALA O O -9.830 3.075 -0.430 1.00 . A A . 3 ALA O 1 1 5 926 1 1 4 ILE C C -8.532 0.273 -2.749 1.00 . A A . 4 ILE C 1 1 5 927 1 1 4 ILE CA C -8.393 1.753 -2.403 1.00 . A A . 4 ILE CA 1 1 5 928 1 1 4 ILE CB C -7.376 2.397 -3.370 1.00 . A A . 4 ILE CB 1 1 5 929 1 1 4 ILE CD1 C -8.548 4.633 -3.213 1.00 . A A . 4 ILE CD1 1 1 5 930 1 1 4 ILE CG1 C -7.244 3.888 -3.075 1.00 . A A . 4 ILE CG1 1 1 5 931 1 1 4 ILE CG2 C -7.797 2.178 -4.817 1.00 . A A . 4 ILE CG2 1 1 5 932 1 1 4 ILE H H -7.123 1.562 -0.723 1.00 . A A . 4 ILE H 1 1 5 933 1 1 4 ILE HA H -9.348 2.240 -2.537 1.00 . A A . 4 ILE HA 1 1 5 934 1 1 4 ILE HB H -6.420 1.921 -3.222 1.00 . A A . 4 ILE HB 1 1 5 935 1 1 4 ILE HD11 H -9.311 3.952 -3.560 1.00 . A A . 4 ILE HD11 1 1 5 936 1 1 4 ILE HD12 H -8.432 5.437 -3.924 1.00 . A A . 4 ILE HD12 1 1 5 937 1 1 4 ILE HD13 H -8.834 5.037 -2.254 1.00 . A A . 4 ILE HD13 1 1 5 938 1 1 4 ILE HG12 H -6.889 4.021 -2.064 1.00 . A A . 4 ILE HG12 1 1 5 939 1 1 4 ILE HG13 H -6.535 4.326 -3.763 1.00 . A A . 4 ILE HG13 1 1 5 940 1 1 4 ILE HG21 H -7.497 3.029 -5.412 1.00 . A A . 4 ILE HG21 1 1 5 941 1 1 4 ILE HG22 H -8.870 2.064 -4.869 1.00 . A A . 4 ILE HG22 1 1 5 942 1 1 4 ILE HG23 H -7.321 1.287 -5.200 1.00 . A A . 4 ILE HG23 1 1 5 943 1 1 4 ILE N N -7.981 1.934 -1.016 1.00 . A A . 4 ILE N 1 1 5 944 1 1 4 ILE O O -8.986 -0.077 -3.837 1.00 . A A . 4 ILE O 1 1 5 945 1 1 5 GLY C C -6.928 -2.525 -2.749 1.00 . A A . 5 GLY C 1 1 5 946 1 1 5 GLY CA C -8.187 -2.014 -2.074 1.00 . A A . 5 GLY CA 1 1 5 947 1 1 5 GLY H H -7.749 -0.260 -0.983 1.00 . A A . 5 GLY H 1 1 5 948 1 1 5 GLY HA2 H -8.316 -2.528 -1.132 1.00 . A A . 5 GLY HA2 1 1 5 949 1 1 5 GLY HA3 H -9.034 -2.221 -2.709 1.00 . A A . 5 GLY HA3 1 1 5 950 1 1 5 GLY N N -8.118 -0.590 -1.827 1.00 . A A . 5 GLY N 1 1 5 951 1 1 5 GLY O O -6.671 -3.727 -2.771 1.00 . A A . 5 GLY O 1 1 5 952 1 1 6 LEU C C -3.731 -1.120 -3.457 1.00 . A A . 6 LEU C 1 1 5 953 1 1 6 LEU CA C -4.895 -1.962 -3.972 1.00 . A A . 6 LEU CA 1 1 5 954 1 1 6 LEU CB C -5.029 -1.788 -5.488 1.00 . A A . 6 LEU CB 1 1 5 955 1 1 6 LEU CD1 C -7.482 -2.318 -5.671 1.00 . A A . 6 LEU CD1 1 1 5 956 1 1 6 LEU CD2 C -6.001 -2.528 -7.677 1.00 . A A . 6 LEU CD2 1 1 5 957 1 1 6 LEU CG C -6.086 -2.668 -6.165 1.00 . A A . 6 LEU CG 1 1 5 958 1 1 6 LEU H H -6.393 -0.652 -3.243 1.00 . A A . 6 LEU H 1 1 5 959 1 1 6 LEU HA H -4.693 -3.002 -3.756 1.00 . A A . 6 LEU HA 1 1 5 960 1 1 6 LEU HB2 H -5.273 -0.754 -5.688 1.00 . A A . 6 LEU HB2 1 1 5 961 1 1 6 LEU HB3 H -4.073 -2.006 -5.938 1.00 . A A . 6 LEU HB3 1 1 5 962 1 1 6 LEU HD11 H -7.461 -1.359 -5.174 1.00 . A A . 6 LEU HD11 1 1 5 963 1 1 6 LEU HD12 H -7.819 -3.076 -4.979 1.00 . A A . 6 LEU HD12 1 1 5 964 1 1 6 LEU HD13 H -8.160 -2.273 -6.510 1.00 . A A . 6 LEU HD13 1 1 5 965 1 1 6 LEU HD21 H -5.087 -2.985 -8.029 1.00 . A A . 6 LEU HD21 1 1 5 966 1 1 6 LEU HD22 H -6.006 -1.481 -7.943 1.00 . A A . 6 LEU HD22 1 1 5 967 1 1 6 LEU HD23 H -6.848 -3.020 -8.132 1.00 . A A . 6 LEU HD23 1 1 5 968 1 1 6 LEU HG H -5.894 -3.701 -5.914 1.00 . A A . 6 LEU HG 1 1 5 969 1 1 6 LEU N N -6.136 -1.601 -3.298 1.00 . A A . 6 LEU N 1 1 5 970 1 1 6 LEU O O -2.733 -0.935 -4.152 1.00 . A A . 6 LEU O 1 1 5 971 1 1 7 ALA C C -2.251 -0.454 -0.386 1.00 . A A . 7 ALA C 1 1 5 972 1 1 7 ALA CA C -2.823 0.213 -1.632 1.00 . A A . 7 ALA CA 1 1 5 973 1 1 7 ALA CB C -3.365 1.590 -1.295 1.00 . A A . 7 ALA CB 1 1 5 974 1 1 7 ALA H H -4.684 -0.790 -1.728 1.00 . A A . 7 ALA H 1 1 5 975 1 1 7 ALA HA H -2.031 0.331 -2.359 1.00 . A A . 7 ALA HA 1 1 5 976 1 1 7 ALA HB1 H -2.542 2.278 -1.169 1.00 . A A . 7 ALA HB1 1 1 5 977 1 1 7 ALA HB2 H -3.935 1.537 -0.379 1.00 . A A . 7 ALA HB2 1 1 5 978 1 1 7 ALA HB3 H -4.001 1.933 -2.098 1.00 . A A . 7 ALA HB3 1 1 5 979 1 1 7 ALA N N -3.865 -0.609 -2.236 1.00 . A A . 7 ALA N 1 1 5 980 1 1 7 ALA O O -2.322 0.092 0.715 1.00 . A A . 7 ALA O 1 1 5 981 1 1 8 TRP C C 0.326 -2.826 0.164 1.00 . A A . 8 TRP C 1 1 5 982 1 1 8 TRP CA C -1.086 -2.389 0.523 1.00 . A A . 8 TRP CA 1 1 5 983 1 1 8 TRP CB C -1.920 -3.630 0.830 1.00 . A A . 8 TRP CB 1 1 5 984 1 1 8 TRP CD1 C -2.954 -4.337 -1.406 1.00 . A A . 8 TRP CD1 1 1 5 985 1 1 8 TRP CD2 C -1.309 -5.671 -0.684 1.00 . A A . 8 TRP CD2 1 1 5 986 1 1 8 TRP CE2 C -1.786 -6.171 -1.911 1.00 . A A . 8 TRP CE2 1 1 5 987 1 1 8 TRP CE3 C -0.265 -6.343 -0.042 1.00 . A A . 8 TRP CE3 1 1 5 988 1 1 8 TRP CG C -2.087 -4.513 -0.367 1.00 . A A . 8 TRP CG 1 1 5 989 1 1 8 TRP CH2 C -0.225 -7.941 -1.861 1.00 . A A . 8 TRP CH2 1 1 5 990 1 1 8 TRP CZ2 C -1.251 -7.308 -2.508 1.00 . A A . 8 TRP CZ2 1 1 5 991 1 1 8 TRP CZ3 C 0.268 -7.468 -0.639 1.00 . A A . 8 TRP CZ3 1 1 5 992 1 1 8 TRP H H -1.654 -2.012 -1.480 1.00 . A A . 8 TRP H 1 1 5 993 1 1 8 TRP HA H -1.054 -1.753 1.395 1.00 . A A . 8 TRP HA 1 1 5 994 1 1 8 TRP HB2 H -1.435 -4.203 1.609 1.00 . A A . 8 TRP HB2 1 1 5 995 1 1 8 TRP HB3 H -2.904 -3.325 1.163 1.00 . A A . 8 TRP HB3 1 1 5 996 1 1 8 TRP HD1 H -3.677 -3.536 -1.465 1.00 . A A . 8 TRP HD1 1 1 5 997 1 1 8 TRP HE1 H -3.315 -5.447 -3.152 1.00 . A A . 8 TRP HE1 1 1 5 998 1 1 8 TRP HE3 H 0.128 -5.991 0.901 1.00 . A A . 8 TRP HE3 1 1 5 999 1 1 8 TRP HH2 H 0.222 -8.824 -2.291 1.00 . A A . 8 TRP HH2 1 1 5 1000 1 1 8 TRP HZ2 H -1.619 -7.686 -3.450 1.00 . A A . 8 TRP HZ2 1 1 5 1001 1 1 8 TRP HZ3 H 1.080 -7.995 -0.160 1.00 . A A . 8 TRP HZ3 1 1 5 1002 1 1 8 TRP N N -1.681 -1.635 -0.574 1.00 . A A . 8 TRP N 1 1 5 1003 1 1 8 TRP NE1 N -2.796 -5.343 -2.327 1.00 . A A . 8 TRP NE1 1 1 5 1004 1 1 8 TRP O O 1.216 -2.876 1.014 1.00 . A A . 8 TRP O 1 1 5 1005 1 1 9 ILE C C 2.915 -2.584 -1.407 1.00 . A A . 9 ILE C 1 1 5 1006 1 1 9 ILE CA C 1.795 -3.613 -1.613 1.00 . A A . 9 ILE CA 1 1 5 1007 1 1 9 ILE CB C 1.710 -3.986 -3.102 1.00 . A A . 9 ILE CB 1 1 5 1008 1 1 9 ILE CD1 C 3.083 -4.785 -5.083 1.00 . A A . 9 ILE CD1 1 1 5 1009 1 1 9 ILE CG1 C 3.064 -4.489 -3.601 1.00 . A A . 9 ILE CG1 1 1 5 1010 1 1 9 ILE CG2 C 1.233 -2.804 -3.930 1.00 . A A . 9 ILE CG2 1 1 5 1011 1 1 9 ILE H H -0.247 -3.101 -1.726 1.00 . A A . 9 ILE H 1 1 5 1012 1 1 9 ILE HA H 2.055 -4.507 -1.066 1.00 . A A . 9 ILE HA 1 1 5 1013 1 1 9 ILE HB H 0.983 -4.778 -3.208 1.00 . A A . 9 ILE HB 1 1 5 1014 1 1 9 ILE HD11 H 3.868 -4.212 -5.555 1.00 . A A . 9 ILE HD11 1 1 5 1015 1 1 9 ILE HD12 H 2.130 -4.510 -5.513 1.00 . A A . 9 ILE HD12 1 1 5 1016 1 1 9 ILE HD13 H 3.260 -5.838 -5.238 1.00 . A A . 9 ILE HD13 1 1 5 1017 1 1 9 ILE HG12 H 3.818 -3.743 -3.394 1.00 . A A . 9 ILE HG12 1 1 5 1018 1 1 9 ILE HG13 H 3.316 -5.401 -3.076 1.00 . A A . 9 ILE HG13 1 1 5 1019 1 1 9 ILE HG21 H 0.976 -3.141 -4.923 1.00 . A A . 9 ILE HG21 1 1 5 1020 1 1 9 ILE HG22 H 2.020 -2.066 -3.992 1.00 . A A . 9 ILE HG22 1 1 5 1021 1 1 9 ILE HG23 H 0.365 -2.364 -3.463 1.00 . A A . 9 ILE HG23 1 1 5 1022 1 1 9 ILE N N 0.511 -3.157 -1.108 1.00 . A A . 9 ILE N 1 1 5 1023 1 1 9 ILE O O 4.039 -2.969 -1.085 1.00 . A A . 9 ILE O 1 1 5 1024 1 1 10 PRO C C 4.555 -0.515 -0.180 1.00 . A A . 10 PRO C 1 1 5 1025 1 1 10 PRO CA C 3.674 -0.229 -1.391 1.00 . A A . 10 PRO CA 1 1 5 1026 1 1 10 PRO CB C 2.857 1.059 -1.182 1.00 . A A . 10 PRO CB 1 1 5 1027 1 1 10 PRO CD C 1.372 -0.654 -1.951 1.00 . A A . 10 PRO CD 1 1 5 1028 1 1 10 PRO CG C 1.421 0.634 -1.186 1.00 . A A . 10 PRO CG 1 1 5 1029 1 1 10 PRO HA H 4.295 -0.128 -2.269 1.00 . A A . 10 PRO HA 1 1 5 1030 1 1 10 PRO HB2 H 3.130 1.510 -0.238 1.00 . A A . 10 PRO HB2 1 1 5 1031 1 1 10 PRO HB3 H 3.065 1.750 -1.986 1.00 . A A . 10 PRO HB3 1 1 5 1032 1 1 10 PRO HD2 H 0.535 -1.251 -1.630 1.00 . A A . 10 PRO HD2 1 1 5 1033 1 1 10 PRO HD3 H 1.327 -0.467 -3.014 1.00 . A A . 10 PRO HD3 1 1 5 1034 1 1 10 PRO HG2 H 1.085 0.479 -0.172 1.00 . A A . 10 PRO HG2 1 1 5 1035 1 1 10 PRO HG3 H 0.817 1.386 -1.673 1.00 . A A . 10 PRO HG3 1 1 5 1036 1 1 10 PRO N N 2.650 -1.264 -1.578 1.00 . A A . 10 PRO N 1 1 5 1037 1 1 10 PRO O O 5.731 -0.156 -0.150 1.00 . A A . 10 PRO O 1 1 5 1038 1 1 11 TYR C C 5.971 -2.319 1.674 1.00 . A A . 11 TYR C 1 1 5 1039 1 1 11 TYR CA C 4.693 -1.560 2.017 1.00 . A A . 11 TYR CA 1 1 5 1040 1 1 11 TYR CB C 3.798 -2.436 2.896 1.00 . A A . 11 TYR CB 1 1 5 1041 1 1 11 TYR CD1 C 2.262 -0.422 3.071 1.00 . A A . 11 TYR CD1 1 1 5 1042 1 1 11 TYR CD2 C 1.628 -2.432 4.189 1.00 . A A . 11 TYR CD2 1 1 5 1043 1 1 11 TYR CE1 C 1.115 0.198 3.527 1.00 . A A . 11 TYR CE1 1 1 5 1044 1 1 11 TYR CE2 C 0.480 -1.817 4.649 1.00 . A A . 11 TYR CE2 1 1 5 1045 1 1 11 TYR CG C 2.540 -1.749 3.392 1.00 . A A . 11 TYR CG 1 1 5 1046 1 1 11 TYR CZ C 0.227 -0.503 4.316 1.00 . A A . 11 TYR CZ 1 1 5 1047 1 1 11 TYR H H 3.037 -1.459 0.712 1.00 . A A . 11 TYR H 1 1 5 1048 1 1 11 TYR HA H 4.945 -0.659 2.551 1.00 . A A . 11 TYR HA 1 1 5 1049 1 1 11 TYR HB2 H 3.493 -3.302 2.323 1.00 . A A . 11 TYR HB2 1 1 5 1050 1 1 11 TYR HB3 H 4.362 -2.763 3.757 1.00 . A A . 11 TYR HB3 1 1 5 1051 1 1 11 TYR HD1 H 2.956 0.126 2.453 1.00 . A A . 11 TYR HD1 1 1 5 1052 1 1 11 TYR HD2 H 1.828 -3.461 4.448 1.00 . A A . 11 TYR HD2 1 1 5 1053 1 1 11 TYR HE1 H 0.917 1.226 3.267 1.00 . A A . 11 TYR HE1 1 1 5 1054 1 1 11 TYR HE2 H -0.216 -2.366 5.267 1.00 . A A . 11 TYR HE2 1 1 5 1055 1 1 11 TYR HH H -0.717 0.604 5.573 1.00 . A A . 11 TYR HH 1 1 5 1056 1 1 11 TYR N N 3.974 -1.190 0.807 1.00 . A A . 11 TYR N 1 1 5 1057 1 1 11 TYR O O 7.034 -2.056 2.236 1.00 . A A . 11 TYR O 1 1 5 1058 1 1 11 TYR OH O -0.915 0.111 4.773 1.00 . A A . 11 TYR OH 1 1 5 1059 1 1 12 PHE C C 7.881 -3.314 -0.669 1.00 . A A . 12 PHE C 1 1 5 1060 1 1 12 PHE CA C 6.995 -4.070 0.323 1.00 . A A . 12 PHE CA 1 1 5 1061 1 1 12 PHE CB C 6.517 -5.382 -0.301 1.00 . A A . 12 PHE CB 1 1 5 1062 1 1 12 PHE CD1 C 6.288 -6.702 1.820 1.00 . A A . 12 PHE CD1 1 1 5 1063 1 1 12 PHE CD2 C 4.414 -6.586 0.351 1.00 . A A . 12 PHE CD2 1 1 5 1064 1 1 12 PHE CE1 C 5.561 -7.492 2.691 1.00 . A A . 12 PHE CE1 1 1 5 1065 1 1 12 PHE CE2 C 3.682 -7.376 1.217 1.00 . A A . 12 PHE CE2 1 1 5 1066 1 1 12 PHE CG C 5.723 -6.240 0.643 1.00 . A A . 12 PHE CG 1 1 5 1067 1 1 12 PHE CZ C 4.256 -7.831 2.389 1.00 . A A . 12 PHE CZ 1 1 5 1068 1 1 12 PHE H H 4.974 -3.426 0.338 1.00 . A A . 12 PHE H 1 1 5 1069 1 1 12 PHE HA H 7.580 -4.297 1.203 1.00 . A A . 12 PHE HA 1 1 5 1070 1 1 12 PHE HB2 H 5.889 -5.158 -1.153 1.00 . A A . 12 PHE HB2 1 1 5 1071 1 1 12 PHE HB3 H 7.376 -5.950 -0.628 1.00 . A A . 12 PHE HB3 1 1 5 1072 1 1 12 PHE HD1 H 7.308 -6.438 2.059 1.00 . A A . 12 PHE HD1 1 1 5 1073 1 1 12 PHE HD2 H 3.964 -6.233 -0.565 1.00 . A A . 12 PHE HD2 1 1 5 1074 1 1 12 PHE HE1 H 6.013 -7.845 3.606 1.00 . A A . 12 PHE HE1 1 1 5 1075 1 1 12 PHE HE2 H 2.662 -7.640 0.979 1.00 . A A . 12 PHE HE2 1 1 5 1076 1 1 12 PHE HZ H 3.687 -8.446 3.068 1.00 . A A . 12 PHE HZ 1 1 5 1077 1 1 12 PHE N N 5.853 -3.265 0.747 1.00 . A A . 12 PHE N 1 1 5 1078 1 1 12 PHE O O 8.896 -3.838 -1.125 1.00 . A A . 12 PHE O 1 1 5 1079 1 1 13 GLY C C 8.869 -0.051 -1.290 1.00 . A A . 13 GLY C 1 1 5 1080 1 1 13 GLY CA C 8.274 -1.291 -1.935 1.00 . A A . 13 GLY CA 1 1 5 1081 1 1 13 GLY H H 6.680 -1.711 -0.611 1.00 . A A . 13 GLY H 1 1 5 1082 1 1 13 GLY HA2 H 9.075 -1.899 -2.327 1.00 . A A . 13 GLY HA2 1 1 5 1083 1 1 13 GLY HA3 H 7.636 -0.987 -2.751 1.00 . A A . 13 GLY HA3 1 1 5 1084 1 1 13 GLY N N 7.495 -2.084 -1.002 1.00 . A A . 13 GLY N 1 1 5 1085 1 1 13 GLY O O 8.615 1.065 -1.741 1.00 . A A . 13 GLY O 1 1 5 1086 1 1 14 PRO C C 11.373 1.585 -0.363 1.00 . A A . 14 PRO C 1 1 5 1087 1 1 14 PRO CA C 10.295 0.910 0.477 1.00 . A A . 14 PRO CA 1 1 5 1088 1 1 14 PRO CB C 10.913 0.261 1.718 1.00 . A A . 14 PRO CB 1 1 5 1089 1 1 14 PRO CD C 10.027 -1.513 0.385 1.00 . A A . 14 PRO CD 1 1 5 1090 1 1 14 PRO CG C 11.144 -1.158 1.328 1.00 . A A . 14 PRO CG 1 1 5 1091 1 1 14 PRO HA H 9.563 1.643 0.779 1.00 . A A . 14 PRO HA 1 1 5 1092 1 1 14 PRO HB2 H 11.841 0.760 1.965 1.00 . A A . 14 PRO HB2 1 1 5 1093 1 1 14 PRO HB3 H 10.223 0.333 2.549 1.00 . A A . 14 PRO HB3 1 1 5 1094 1 1 14 PRO HD2 H 10.371 -2.209 -0.365 1.00 . A A . 14 PRO HD2 1 1 5 1095 1 1 14 PRO HD3 H 9.191 -1.926 0.930 1.00 . A A . 14 PRO HD3 1 1 5 1096 1 1 14 PRO HG2 H 12.097 -1.251 0.829 1.00 . A A . 14 PRO HG2 1 1 5 1097 1 1 14 PRO HG3 H 11.112 -1.789 2.201 1.00 . A A . 14 PRO HG3 1 1 5 1098 1 1 14 PRO N N 9.669 -0.217 -0.222 1.00 . A A . 14 PRO N 1 1 5 1099 1 1 14 PRO O O 12.457 1.035 -0.559 1.00 . A A . 14 PRO O 1 1 5 1100 1 1 15 ALA C C 12.129 4.973 -1.195 1.00 . A A . 15 ALA C 1 1 5 1101 1 1 15 ALA CA C 12.012 3.533 -1.674 1.00 . A A . 15 ALA CA 1 1 5 1102 1 1 15 ALA CB C 11.595 3.485 -3.137 1.00 . A A . 15 ALA CB 1 1 5 1103 1 1 15 ALA H H 10.188 3.167 -0.663 1.00 . A A . 15 ALA H 1 1 5 1104 1 1 15 ALA HA H 12.973 3.064 -1.587 1.00 . A A . 15 ALA HA 1 1 5 1105 1 1 15 ALA HB1 H 11.857 4.416 -3.617 1.00 . A A . 15 ALA HB1 1 1 5 1106 1 1 15 ALA HB2 H 10.529 3.332 -3.203 1.00 . A A . 15 ALA HB2 1 1 5 1107 1 1 15 ALA HB3 H 12.106 2.670 -3.630 1.00 . A A . 15 ALA HB3 1 1 5 1108 1 1 15 ALA N N 11.068 2.781 -0.856 1.00 . A A . 15 ALA N 1 1 5 1109 1 1 15 ALA O O 13.053 5.323 -0.461 1.00 . A A . 15 ALA O 1 1 5 1110 1 1 16 ALA C C 10.030 7.504 -0.268 1.00 . A A . 16 ALA C 1 1 5 1111 1 1 16 ALA CA C 11.171 7.206 -1.236 1.00 . A A . 16 ALA CA 1 1 5 1112 1 1 16 ALA CB C 11.060 8.085 -2.472 1.00 . A A . 16 ALA CB 1 1 5 1113 1 1 16 ALA H H 10.482 5.452 -2.198 1.00 . A A . 16 ALA H 1 1 5 1114 1 1 16 ALA HA H 12.109 7.429 -0.748 1.00 . A A . 16 ALA HA 1 1 5 1115 1 1 16 ALA HB1 H 10.018 8.231 -2.717 1.00 . A A . 16 ALA HB1 1 1 5 1116 1 1 16 ALA HB2 H 11.561 7.607 -3.301 1.00 . A A . 16 ALA HB2 1 1 5 1117 1 1 16 ALA HB3 H 11.522 9.042 -2.277 1.00 . A A . 16 ALA HB3 1 1 5 1118 1 1 16 ALA N N 11.186 5.800 -1.615 1.00 . A A . 16 ALA N 1 1 5 1119 1 1 16 ALA O O 10.307 7.669 0.939 1.00 . A A . 16 ALA O 1 1 5 1120 1 1 16 ALA OXT O 8.870 7.569 -0.726 1.00 . A A . 16 ALA OXT 1 1 6 1121 1 1 1 GLY C C -6.052 5.206 2.806 1.00 . A A . 1 GLY C 1 1 6 1122 1 1 1 GLY CA C -5.342 4.863 4.099 1.00 . A A . 1 GLY CA 1 1 6 1123 1 1 1 GLY H1 H -3.419 5.627 3.820 1.00 . A A . 1 GLY H1 1 1 6 1124 1 1 1 GLY H2 H -3.967 5.723 5.416 1.00 . A A . 1 GLY H2 1 1 6 1125 1 1 1 GLY H3 H -4.565 6.795 4.254 1.00 . A A . 1 GLY H3 1 1 6 1126 1 1 1 GLY HA2 H -4.926 3.870 4.016 1.00 . A A . 1 GLY HA2 1 1 6 1127 1 1 1 GLY HA3 H -6.062 4.874 4.905 1.00 . A A . 1 GLY HA3 1 1 6 1128 1 1 1 GLY N N -4.247 5.819 4.419 1.00 . A A . 1 GLY N 1 1 6 1129 1 1 1 GLY O O -5.922 6.318 2.294 1.00 . A A . 1 GLY O 1 1 6 1130 1 1 2 ALA C C -8.543 3.332 0.794 1.00 . A A . 2 ALA C 1 1 6 1131 1 1 2 ALA CA C -7.539 4.455 1.032 1.00 . A A . 2 ALA CA 1 1 6 1132 1 1 2 ALA CB C -6.573 4.557 -0.140 1.00 . A A . 2 ALA CB 1 1 6 1133 1 1 2 ALA H H -6.870 3.384 2.729 1.00 . A A . 2 ALA H 1 1 6 1134 1 1 2 ALA HA H -8.072 5.391 1.110 1.00 . A A . 2 ALA HA 1 1 6 1135 1 1 2 ALA HB1 H -6.519 3.605 -0.647 1.00 . A A . 2 ALA HB1 1 1 6 1136 1 1 2 ALA HB2 H -5.594 4.827 0.226 1.00 . A A . 2 ALA HB2 1 1 6 1137 1 1 2 ALA HB3 H -6.922 5.312 -0.828 1.00 . A A . 2 ALA HB3 1 1 6 1138 1 1 2 ALA N N -6.805 4.248 2.274 1.00 . A A . 2 ALA N 1 1 6 1139 1 1 2 ALA O O -9.683 3.578 0.400 1.00 . A A . 2 ALA O 1 1 6 1140 1 1 3 ALA C C -9.452 0.835 -0.594 1.00 . A A . 3 ALA C 1 1 6 1141 1 1 3 ALA CA C -8.974 0.937 0.851 1.00 . A A . 3 ALA CA 1 1 6 1142 1 1 3 ALA CB C -10.162 1.006 1.799 1.00 . A A . 3 ALA CB 1 1 6 1143 1 1 3 ALA H H -7.194 1.966 1.351 1.00 . A A . 3 ALA H 1 1 6 1144 1 1 3 ALA HA H -8.401 0.056 1.094 1.00 . A A . 3 ALA HA 1 1 6 1145 1 1 3 ALA HB1 H -11.025 0.559 1.328 1.00 . A A . 3 ALA HB1 1 1 6 1146 1 1 3 ALA HB2 H -10.375 2.038 2.036 1.00 . A A . 3 ALA HB2 1 1 6 1147 1 1 3 ALA HB3 H -9.929 0.469 2.708 1.00 . A A . 3 ALA HB3 1 1 6 1148 1 1 3 ALA N N -8.113 2.099 1.039 1.00 . A A . 3 ALA N 1 1 6 1149 1 1 3 ALA O O -10.644 0.946 -0.876 1.00 . A A . 3 ALA O 1 1 6 1150 1 1 4 ILE C C -8.571 -0.910 -3.435 1.00 . A A . 4 ILE C 1 1 6 1151 1 1 4 ILE CA C -8.834 0.506 -2.926 1.00 . A A . 4 ILE CA 1 1 6 1152 1 1 4 ILE CB C -8.018 1.505 -3.770 1.00 . A A . 4 ILE CB 1 1 6 1153 1 1 4 ILE CD1 C -7.480 3.977 -4.049 1.00 . A A . 4 ILE CD1 1 1 6 1154 1 1 4 ILE CG1 C -8.256 2.933 -3.275 1.00 . A A . 4 ILE CG1 1 1 6 1155 1 1 4 ILE CG2 C -8.381 1.384 -5.243 1.00 . A A . 4 ILE CG2 1 1 6 1156 1 1 4 ILE H H -7.576 0.542 -1.225 1.00 . A A . 4 ILE H 1 1 6 1157 1 1 4 ILE HA H -9.883 0.733 -3.049 1.00 . A A . 4 ILE HA 1 1 6 1158 1 1 4 ILE HB H -6.971 1.264 -3.659 1.00 . A A . 4 ILE HB 1 1 6 1159 1 1 4 ILE HD11 H -6.585 3.531 -4.456 1.00 . A A . 4 ILE HD11 1 1 6 1160 1 1 4 ILE HD12 H -7.212 4.789 -3.389 1.00 . A A . 4 ILE HD12 1 1 6 1161 1 1 4 ILE HD13 H -8.092 4.356 -4.854 1.00 . A A . 4 ILE HD13 1 1 6 1162 1 1 4 ILE HG12 H -9.307 3.167 -3.364 1.00 . A A . 4 ILE HG12 1 1 6 1163 1 1 4 ILE HG13 H -7.962 3.001 -2.238 1.00 . A A . 4 ILE HG13 1 1 6 1164 1 1 4 ILE HG21 H -9.450 1.461 -5.358 1.00 . A A . 4 ILE HG21 1 1 6 1165 1 1 4 ILE HG22 H -8.046 0.429 -5.618 1.00 . A A . 4 ILE HG22 1 1 6 1166 1 1 4 ILE HG23 H -7.901 2.177 -5.798 1.00 . A A . 4 ILE HG23 1 1 6 1167 1 1 4 ILE N N -8.511 0.623 -1.509 1.00 . A A . 4 ILE N 1 1 6 1168 1 1 4 ILE O O -9.062 -1.298 -4.496 1.00 . A A . 4 ILE O 1 1 6 1169 1 1 5 GLY C C -6.022 -3.188 -3.493 1.00 . A A . 5 GLY C 1 1 6 1170 1 1 5 GLY CA C -7.472 -3.032 -3.076 1.00 . A A . 5 GLY CA 1 1 6 1171 1 1 5 GLY H H -7.424 -1.311 -1.846 1.00 . A A . 5 GLY H 1 1 6 1172 1 1 5 GLY HA2 H -7.669 -3.693 -2.243 1.00 . A A . 5 GLY HA2 1 1 6 1173 1 1 5 GLY HA3 H -8.106 -3.312 -3.904 1.00 . A A . 5 GLY HA3 1 1 6 1174 1 1 5 GLY N N -7.790 -1.674 -2.679 1.00 . A A . 5 GLY N 1 1 6 1175 1 1 5 GLY O O -5.531 -4.307 -3.641 1.00 . A A . 5 GLY O 1 1 6 1176 1 1 6 LEU C C -3.110 -1.079 -3.282 1.00 . A A . 6 LEU C 1 1 6 1177 1 1 6 LEU CA C -3.932 -2.086 -4.085 1.00 . A A . 6 LEU CA 1 1 6 1178 1 1 6 LEU CB C -3.808 -1.782 -5.581 1.00 . A A . 6 LEU CB 1 1 6 1179 1 1 6 LEU CD1 C -4.351 -2.359 -7.959 1.00 . A A . 6 LEU CD1 1 1 6 1180 1 1 6 LEU CD2 C -4.016 -4.182 -6.278 1.00 . A A . 6 LEU CD2 1 1 6 1181 1 1 6 LEU CG C -4.528 -2.767 -6.503 1.00 . A A . 6 LEU CG 1 1 6 1182 1 1 6 LEU H H -5.779 -1.202 -3.547 1.00 . A A . 6 LEU H 1 1 6 1183 1 1 6 LEU HA H -3.548 -3.077 -3.897 1.00 . A A . 6 LEU HA 1 1 6 1184 1 1 6 LEU HB2 H -4.206 -0.795 -5.760 1.00 . A A . 6 LEU HB2 1 1 6 1185 1 1 6 LEU HB3 H -2.760 -1.783 -5.840 1.00 . A A . 6 LEU HB3 1 1 6 1186 1 1 6 LEU HD11 H -4.613 -3.189 -8.600 1.00 . A A . 6 LEU HD11 1 1 6 1187 1 1 6 LEU HD12 H -3.323 -2.080 -8.132 1.00 . A A . 6 LEU HD12 1 1 6 1188 1 1 6 LEU HD13 H -4.994 -1.520 -8.177 1.00 . A A . 6 LEU HD13 1 1 6 1189 1 1 6 LEU HD21 H -3.888 -4.677 -7.230 1.00 . A A . 6 LEU HD21 1 1 6 1190 1 1 6 LEU HD22 H -4.729 -4.732 -5.681 1.00 . A A . 6 LEU HD22 1 1 6 1191 1 1 6 LEU HD23 H -3.068 -4.146 -5.763 1.00 . A A . 6 LEU HD23 1 1 6 1192 1 1 6 LEU HG H -5.586 -2.753 -6.281 1.00 . A A . 6 LEU HG 1 1 6 1193 1 1 6 LEU N N -5.333 -2.065 -3.682 1.00 . A A . 6 LEU N 1 1 6 1194 1 1 6 LEU O O -1.997 -0.725 -3.670 1.00 . A A . 6 LEU O 1 1 6 1195 1 1 7 ALA C C -2.351 -0.339 -0.103 1.00 . A A . 7 ALA C 1 1 6 1196 1 1 7 ALA CA C -2.976 0.345 -1.312 1.00 . A A . 7 ALA CA 1 1 6 1197 1 1 7 ALA CB C -3.937 1.431 -0.863 1.00 . A A . 7 ALA CB 1 1 6 1198 1 1 7 ALA H H -4.553 -0.936 -1.901 1.00 . A A . 7 ALA H 1 1 6 1199 1 1 7 ALA HA H -2.192 0.808 -1.896 1.00 . A A . 7 ALA HA 1 1 6 1200 1 1 7 ALA HB1 H -4.758 1.493 -1.560 1.00 . A A . 7 ALA HB1 1 1 6 1201 1 1 7 ALA HB2 H -3.420 2.377 -0.829 1.00 . A A . 7 ALA HB2 1 1 6 1202 1 1 7 ALA HB3 H -4.315 1.190 0.119 1.00 . A A . 7 ALA HB3 1 1 6 1203 1 1 7 ALA N N -3.664 -0.620 -2.163 1.00 . A A . 7 ALA N 1 1 6 1204 1 1 7 ALA O O -2.318 0.220 0.996 1.00 . A A . 7 ALA O 1 1 6 1205 1 1 8 TRP C C 0.160 -2.783 0.331 1.00 . A A . 8 TRP C 1 1 6 1206 1 1 8 TRP CA C -1.227 -2.321 0.756 1.00 . A A . 8 TRP CA 1 1 6 1207 1 1 8 TRP CB C -2.067 -3.549 1.093 1.00 . A A . 8 TRP CB 1 1 6 1208 1 1 8 TRP CD1 C -3.182 -4.260 -1.102 1.00 . A A . 8 TRP CD1 1 1 6 1209 1 1 8 TRP CD2 C -1.512 -5.593 -0.437 1.00 . A A . 8 TRP CD2 1 1 6 1210 1 1 8 TRP CE2 C -2.032 -6.096 -1.644 1.00 . A A . 8 TRP CE2 1 1 6 1211 1 1 8 TRP CE3 C -0.447 -6.262 0.168 1.00 . A A . 8 TRP CE3 1 1 6 1212 1 1 8 TRP CG C -2.278 -4.434 -0.094 1.00 . A A . 8 TRP CG 1 1 6 1213 1 1 8 TRP CH2 C -0.470 -7.866 -1.646 1.00 . A A . 8 TRP CH2 1 1 6 1214 1 1 8 TRP CZ2 C -1.519 -7.234 -2.258 1.00 . A A . 8 TRP CZ2 1 1 6 1215 1 1 8 TRP CZ3 C 0.066 -7.389 -0.443 1.00 . A A . 8 TRP CZ3 1 1 6 1216 1 1 8 TRP H H -1.912 -1.939 -1.212 1.00 . A A . 8 TRP H 1 1 6 1217 1 1 8 TRP HA H -1.143 -1.690 1.628 1.00 . A A . 8 TRP HA 1 1 6 1218 1 1 8 TRP HB2 H -1.567 -4.124 1.859 1.00 . A A . 8 TRP HB2 1 1 6 1219 1 1 8 TRP HB3 H -3.037 -3.229 1.453 1.00 . A A . 8 TRP HB3 1 1 6 1220 1 1 8 TRP HD1 H -3.907 -3.459 -1.138 1.00 . A A . 8 TRP HD1 1 1 6 1221 1 1 8 TRP HE1 H -3.605 -5.374 -2.832 1.00 . A A . 8 TRP HE1 1 1 6 1222 1 1 8 TRP HE3 H -0.020 -5.909 1.096 1.00 . A A . 8 TRP HE3 1 1 6 1223 1 1 8 TRP HH2 H -0.039 -8.749 -2.090 1.00 . A A . 8 TRP HH2 1 1 6 1224 1 1 8 TRP HZ2 H -1.920 -7.615 -3.186 1.00 . A A . 8 TRP HZ2 1 1 6 1225 1 1 8 TRP HZ3 H 0.896 -7.914 0.008 1.00 . A A . 8 TRP HZ3 1 1 6 1226 1 1 8 TRP N N -1.856 -1.550 -0.312 1.00 . A A . 8 TRP N 1 1 6 1227 1 1 8 TRP NE1 N -3.057 -5.269 -2.026 1.00 . A A . 8 TRP NE1 1 1 6 1228 1 1 8 TRP O O 1.077 -2.883 1.145 1.00 . A A . 8 TRP O 1 1 6 1229 1 1 9 ILE C C 2.678 -2.541 -1.389 1.00 . A A . 9 ILE C 1 1 6 1230 1 1 9 ILE CA C 1.538 -3.557 -1.518 1.00 . A A . 9 ILE CA 1 1 6 1231 1 1 9 ILE CB C 1.372 -3.946 -2.996 1.00 . A A . 9 ILE CB 1 1 6 1232 1 1 9 ILE CD1 C 2.639 -4.789 -5.026 1.00 . A A . 9 ILE CD1 1 1 6 1233 1 1 9 ILE CG1 C 2.685 -4.504 -3.542 1.00 . A A . 9 ILE CG1 1 1 6 1234 1 1 9 ILE CG2 C 0.905 -2.753 -3.815 1.00 . A A . 9 ILE CG2 1 1 6 1235 1 1 9 ILE H H -0.492 -2.989 -1.544 1.00 . A A . 9 ILE H 1 1 6 1236 1 1 9 ILE HA H 1.815 -4.448 -0.975 1.00 . A A . 9 ILE HA 1 1 6 1237 1 1 9 ILE HB H 0.613 -4.711 -3.058 1.00 . A A . 9 ILE HB 1 1 6 1238 1 1 9 ILE HD11 H 3.401 -4.214 -5.528 1.00 . A A . 9 ILE HD11 1 1 6 1239 1 1 9 ILE HD12 H 1.667 -4.512 -5.411 1.00 . A A . 9 ILE HD12 1 1 6 1240 1 1 9 ILE HD13 H 2.808 -5.842 -5.196 1.00 . A A . 9 ILE HD13 1 1 6 1241 1 1 9 ILE HG12 H 3.477 -3.795 -3.356 1.00 . A A . 9 ILE HG12 1 1 6 1242 1 1 9 ILE HG13 H 2.912 -5.430 -3.033 1.00 . A A . 9 ILE HG13 1 1 6 1243 1 1 9 ILE HG21 H 0.060 -2.291 -3.328 1.00 . A A . 9 ILE HG21 1 1 6 1244 1 1 9 ILE HG22 H 0.612 -3.088 -4.799 1.00 . A A . 9 ILE HG22 1 1 6 1245 1 1 9 ILE HG23 H 1.708 -2.038 -3.901 1.00 . A A . 9 ILE HG23 1 1 6 1246 1 1 9 ILE N N 0.287 -3.081 -0.956 1.00 . A A . 9 ILE N 1 1 6 1247 1 1 9 ILE O O 3.818 -2.938 -1.152 1.00 . A A . 9 ILE O 1 1 6 1248 1 1 10 PRO C C 4.423 -0.474 -0.272 1.00 . A A . 10 PRO C 1 1 6 1249 1 1 10 PRO CA C 3.464 -0.194 -1.426 1.00 . A A . 10 PRO CA 1 1 6 1250 1 1 10 PRO CB C 2.680 1.106 -1.181 1.00 . A A . 10 PRO CB 1 1 6 1251 1 1 10 PRO CD C 1.121 -0.596 -1.828 1.00 . A A . 10 PRO CD 1 1 6 1252 1 1 10 PRO CG C 1.240 0.712 -1.103 1.00 . A A . 10 PRO CG 1 1 6 1253 1 1 10 PRO HA H 4.029 -0.109 -2.343 1.00 . A A . 10 PRO HA 1 1 6 1254 1 1 10 PRO HB2 H 3.013 1.559 -0.258 1.00 . A A . 10 PRO HB2 1 1 6 1255 1 1 10 PRO HB3 H 2.855 1.790 -2.000 1.00 . A A . 10 PRO HB3 1 1 6 1256 1 1 10 PRO HD2 H 0.305 -1.173 -1.431 1.00 . A A . 10 PRO HD2 1 1 6 1257 1 1 10 PRO HD3 H 0.997 -0.434 -2.890 1.00 . A A . 10 PRO HD3 1 1 6 1258 1 1 10 PRO HG2 H 0.950 0.592 -0.070 1.00 . A A . 10 PRO HG2 1 1 6 1259 1 1 10 PRO HG3 H 0.626 1.462 -1.582 1.00 . A A . 10 PRO HG3 1 1 6 1260 1 1 10 PRO N N 2.418 -1.219 -1.540 1.00 . A A . 10 PRO N 1 1 6 1261 1 1 10 PRO O O 5.585 -0.070 -0.301 1.00 . A A . 10 PRO O 1 1 6 1262 1 1 11 TYR C C 5.930 -2.390 1.474 1.00 . A A . 11 TYR C 1 1 6 1263 1 1 11 TYR CA C 4.730 -1.550 1.892 1.00 . A A . 11 TYR CA 1 1 6 1264 1 1 11 TYR CB C 3.879 -2.326 2.897 1.00 . A A . 11 TYR CB 1 1 6 1265 1 1 11 TYR CD1 C 1.838 -0.819 2.931 1.00 . A A . 11 TYR CD1 1 1 6 1266 1 1 11 TYR CD2 C 2.886 -1.355 5.004 1.00 . A A . 11 TYR CD2 1 1 6 1267 1 1 11 TYR CE1 C 0.902 -0.053 3.599 1.00 . A A . 11 TYR CE1 1 1 6 1268 1 1 11 TYR CE2 C 1.953 -0.592 5.678 1.00 . A A . 11 TYR CE2 1 1 6 1269 1 1 11 TYR CG C 2.847 -1.484 3.621 1.00 . A A . 11 TYR CG 1 1 6 1270 1 1 11 TYR CZ C 0.964 0.058 4.971 1.00 . A A . 11 TYR CZ 1 1 6 1271 1 1 11 TYR H H 3.000 -1.491 0.687 1.00 . A A . 11 TYR H 1 1 6 1272 1 1 11 TYR HA H 5.081 -0.639 2.354 1.00 . A A . 11 TYR HA 1 1 6 1273 1 1 11 TYR HB2 H 3.354 -3.112 2.371 1.00 . A A . 11 TYR HB2 1 1 6 1274 1 1 11 TYR HB3 H 4.527 -2.770 3.638 1.00 . A A . 11 TYR HB3 1 1 6 1275 1 1 11 TYR HD1 H 1.788 -0.906 1.858 1.00 . A A . 11 TYR HD1 1 1 6 1276 1 1 11 TYR HD2 H 3.663 -1.864 5.556 1.00 . A A . 11 TYR HD2 1 1 6 1277 1 1 11 TYR HE1 H 0.126 0.455 3.046 1.00 . A A . 11 TYR HE1 1 1 6 1278 1 1 11 TYR HE2 H 2.001 -0.506 6.754 1.00 . A A . 11 TYR HE2 1 1 6 1279 1 1 11 TYR HH H 0.071 1.725 5.322 1.00 . A A . 11 TYR HH 1 1 6 1280 1 1 11 TYR N N 3.927 -1.187 0.735 1.00 . A A . 11 TYR N 1 1 6 1281 1 1 11 TYR O O 7.024 -2.242 2.015 1.00 . A A . 11 TYR O 1 1 6 1282 1 1 11 TYR OH O 0.033 0.820 5.640 1.00 . A A . 11 TYR OH 1 1 6 1283 1 1 12 PHE C C 7.727 -3.360 -0.905 1.00 . A A . 12 PHE C 1 1 6 1284 1 1 12 PHE CA C 6.779 -4.136 0.007 1.00 . A A . 12 PHE CA 1 1 6 1285 1 1 12 PHE CB C 6.199 -5.336 -0.750 1.00 . A A . 12 PHE CB 1 1 6 1286 1 1 12 PHE CD1 C 4.160 -5.800 0.651 1.00 . A A . 12 PHE CD1 1 1 6 1287 1 1 12 PHE CD2 C 5.759 -7.544 0.356 1.00 . A A . 12 PHE CD2 1 1 6 1288 1 1 12 PHE CE1 C 3.388 -6.637 1.436 1.00 . A A . 12 PHE CE1 1 1 6 1289 1 1 12 PHE CE2 C 4.991 -8.385 1.140 1.00 . A A . 12 PHE CE2 1 1 6 1290 1 1 12 PHE CG C 5.353 -6.244 0.102 1.00 . A A . 12 PHE CG 1 1 6 1291 1 1 12 PHE CZ C 3.805 -7.931 1.681 1.00 . A A . 12 PHE CZ 1 1 6 1292 1 1 12 PHE H H 4.820 -3.339 0.107 1.00 . A A . 12 PHE H 1 1 6 1293 1 1 12 PHE HA H 7.336 -4.496 0.859 1.00 . A A . 12 PHE HA 1 1 6 1294 1 1 12 PHE HB2 H 5.581 -4.976 -1.561 1.00 . A A . 12 PHE HB2 1 1 6 1295 1 1 12 PHE HB3 H 7.013 -5.923 -1.154 1.00 . A A . 12 PHE HB3 1 1 6 1296 1 1 12 PHE HD1 H 3.829 -4.793 0.459 1.00 . A A . 12 PHE HD1 1 1 6 1297 1 1 12 PHE HD2 H 6.686 -7.902 -0.065 1.00 . A A . 12 PHE HD2 1 1 6 1298 1 1 12 PHE HE1 H 2.461 -6.279 1.858 1.00 . A A . 12 PHE HE1 1 1 6 1299 1 1 12 PHE HE2 H 5.320 -9.397 1.330 1.00 . A A . 12 PHE HE2 1 1 6 1300 1 1 12 PHE HZ H 3.203 -8.585 2.294 1.00 . A A . 12 PHE HZ 1 1 6 1301 1 1 12 PHE N N 5.714 -3.272 0.502 1.00 . A A . 12 PHE N 1 1 6 1302 1 1 12 PHE O O 8.906 -3.694 -1.016 1.00 . A A . 12 PHE O 1 1 6 1303 1 1 13 GLY C C 8.197 -0.099 -1.938 1.00 . A A . 13 GLY C 1 1 6 1304 1 1 13 GLY CA C 8.017 -1.518 -2.443 1.00 . A A . 13 GLY CA 1 1 6 1305 1 1 13 GLY H H 6.256 -2.105 -1.424 1.00 . A A . 13 GLY H 1 1 6 1306 1 1 13 GLY HA2 H 8.988 -1.979 -2.544 1.00 . A A . 13 GLY HA2 1 1 6 1307 1 1 13 GLY HA3 H 7.544 -1.486 -3.413 1.00 . A A . 13 GLY HA3 1 1 6 1308 1 1 13 GLY N N 7.203 -2.324 -1.552 1.00 . A A . 13 GLY N 1 1 6 1309 1 1 13 GLY O O 7.398 0.782 -2.259 1.00 . A A . 13 GLY O 1 1 6 1310 1 1 14 PRO C C 9.967 2.477 -1.670 1.00 . A A . 14 PRO C 1 1 6 1311 1 1 14 PRO CA C 9.519 1.492 -0.595 1.00 . A A . 14 PRO CA 1 1 6 1312 1 1 14 PRO CB C 10.648 1.245 0.407 1.00 . A A . 14 PRO CB 1 1 6 1313 1 1 14 PRO CD C 10.252 -0.832 -0.706 1.00 . A A . 14 PRO CD 1 1 6 1314 1 1 14 PRO CG C 11.328 0.014 -0.083 1.00 . A A . 14 PRO CG 1 1 6 1315 1 1 14 PRO HA H 8.658 1.891 -0.080 1.00 . A A . 14 PRO HA 1 1 6 1316 1 1 14 PRO HB2 H 11.321 2.092 0.413 1.00 . A A . 14 PRO HB2 1 1 6 1317 1 1 14 PRO HB3 H 10.231 1.099 1.394 1.00 . A A . 14 PRO HB3 1 1 6 1318 1 1 14 PRO HD2 H 10.644 -1.379 -1.552 1.00 . A A . 14 PRO HD2 1 1 6 1319 1 1 14 PRO HD3 H 9.834 -1.510 0.023 1.00 . A A . 14 PRO HD3 1 1 6 1320 1 1 14 PRO HG2 H 12.074 0.275 -0.820 1.00 . A A . 14 PRO HG2 1 1 6 1321 1 1 14 PRO HG3 H 11.782 -0.509 0.744 1.00 . A A . 14 PRO HG3 1 1 6 1322 1 1 14 PRO N N 9.248 0.158 -1.141 1.00 . A A . 14 PRO N 1 1 6 1323 1 1 14 PRO O O 10.188 2.097 -2.821 1.00 . A A . 14 PRO O 1 1 6 1324 1 1 15 ALA C C 11.929 5.269 -1.895 1.00 . A A . 15 ALA C 1 1 6 1325 1 1 15 ALA CA C 10.522 4.782 -2.218 1.00 . A A . 15 ALA CA 1 1 6 1326 1 1 15 ALA CB C 9.540 5.944 -2.191 1.00 . A A . 15 ALA CB 1 1 6 1327 1 1 15 ALA H H 9.910 3.983 -0.356 1.00 . A A . 15 ALA H 1 1 6 1328 1 1 15 ALA HA H 10.516 4.362 -3.214 1.00 . A A . 15 ALA HA 1 1 6 1329 1 1 15 ALA HB1 H 10.029 6.837 -2.554 1.00 . A A . 15 ALA HB1 1 1 6 1330 1 1 15 ALA HB2 H 9.202 6.106 -1.179 1.00 . A A . 15 ALA HB2 1 1 6 1331 1 1 15 ALA HB3 H 8.694 5.716 -2.822 1.00 . A A . 15 ALA HB3 1 1 6 1332 1 1 15 ALA N N 10.099 3.743 -1.288 1.00 . A A . 15 ALA N 1 1 6 1333 1 1 15 ALA O O 12.273 5.479 -0.732 1.00 . A A . 15 ALA O 1 1 6 1334 1 1 16 ALA C C 14.423 7.073 -3.695 1.00 . A A . 16 ALA C 1 1 6 1335 1 1 16 ALA CA C 14.113 5.910 -2.758 1.00 . A A . 16 ALA CA 1 1 6 1336 1 1 16 ALA CB C 15.090 4.767 -2.992 1.00 . A A . 16 ALA CB 1 1 6 1337 1 1 16 ALA H H 12.410 5.263 -3.837 1.00 . A A . 16 ALA H 1 1 6 1338 1 1 16 ALA HA H 14.224 6.244 -1.736 1.00 . A A . 16 ALA HA 1 1 6 1339 1 1 16 ALA HB1 H 14.649 4.052 -3.671 1.00 . A A . 16 ALA HB1 1 1 6 1340 1 1 16 ALA HB2 H 15.308 4.283 -2.050 1.00 . A A . 16 ALA HB2 1 1 6 1341 1 1 16 ALA HB3 H 16.003 5.154 -3.419 1.00 . A A . 16 ALA HB3 1 1 6 1342 1 1 16 ALA N N 12.741 5.447 -2.932 1.00 . A A . 16 ALA N 1 1 6 1343 1 1 16 ALA O O 14.242 6.910 -4.919 1.00 . A A . 16 ALA O 1 1 6 1344 1 1 16 ALA OXT O 14.844 8.138 -3.195 1.00 . A A . 16 ALA OXT 1 1 7 1345 1 1 1 GLY C C -5.972 6.133 -7.771 1.00 . A A . 1 GLY C 1 1 7 1346 1 1 1 GLY CA C -6.071 5.874 -9.261 1.00 . A A . 1 GLY CA 1 1 7 1347 1 1 1 GLY H1 H -7.432 5.089 -10.638 1.00 . A A . 1 GLY H1 1 1 7 1348 1 1 1 GLY H2 H -8.092 5.367 -9.105 1.00 . A A . 1 GLY H2 1 1 7 1349 1 1 1 GLY H3 H -7.071 4.043 -9.358 1.00 . A A . 1 GLY H3 1 1 7 1350 1 1 1 GLY HA2 H -5.174 5.372 -9.589 1.00 . A A . 1 GLY HA2 1 1 7 1351 1 1 1 GLY HA3 H -6.150 6.820 -9.774 1.00 . A A . 1 GLY HA3 1 1 7 1352 1 1 1 GLY N N -7.249 5.034 -9.615 1.00 . A A . 1 GLY N 1 1 7 1353 1 1 1 GLY O O -6.873 6.722 -7.174 1.00 . A A . 1 GLY O 1 1 7 1354 1 1 2 ALA C C -5.770 5.224 -4.921 1.00 . A A . 2 ALA C 1 1 7 1355 1 1 2 ALA CA C -4.658 5.876 -5.738 1.00 . A A . 2 ALA CA 1 1 7 1356 1 1 2 ALA CB C -4.560 7.359 -5.409 1.00 . A A . 2 ALA CB 1 1 7 1357 1 1 2 ALA H H -4.190 5.228 -7.698 1.00 . A A . 2 ALA H 1 1 7 1358 1 1 2 ALA HA H -3.717 5.412 -5.479 1.00 . A A . 2 ALA HA 1 1 7 1359 1 1 2 ALA HB1 H -4.269 7.905 -6.295 1.00 . A A . 2 ALA HB1 1 1 7 1360 1 1 2 ALA HB2 H -3.823 7.508 -4.633 1.00 . A A . 2 ALA HB2 1 1 7 1361 1 1 2 ALA HB3 H -5.520 7.715 -5.066 1.00 . A A . 2 ALA HB3 1 1 7 1362 1 1 2 ALA N N -4.873 5.690 -7.168 1.00 . A A . 2 ALA N 1 1 7 1363 1 1 2 ALA O O -6.046 5.632 -3.794 1.00 . A A . 2 ALA O 1 1 7 1364 1 1 3 ALA C C -8.000 2.346 -5.677 1.00 . A A . 3 ALA C 1 1 7 1365 1 1 3 ALA CA C -7.487 3.501 -4.824 1.00 . A A . 3 ALA CA 1 1 7 1366 1 1 3 ALA CB C -8.622 4.461 -4.494 1.00 . A A . 3 ALA CB 1 1 7 1367 1 1 3 ALA H H -6.141 3.928 -6.399 1.00 . A A . 3 ALA H 1 1 7 1368 1 1 3 ALA HA H -7.099 3.106 -3.896 1.00 . A A . 3 ALA HA 1 1 7 1369 1 1 3 ALA HB1 H -9.448 4.288 -5.168 1.00 . A A . 3 ALA HB1 1 1 7 1370 1 1 3 ALA HB2 H -8.274 5.478 -4.602 1.00 . A A . 3 ALA HB2 1 1 7 1371 1 1 3 ALA HB3 H -8.946 4.298 -3.476 1.00 . A A . 3 ALA HB3 1 1 7 1372 1 1 3 ALA N N -6.406 4.209 -5.499 1.00 . A A . 3 ALA N 1 1 7 1373 1 1 3 ALA O O -9.200 2.076 -5.719 1.00 . A A . 3 ALA O 1 1 7 1374 1 1 4 ILE C C -7.523 -0.756 -6.430 1.00 . A A . 4 ILE C 1 1 7 1375 1 1 4 ILE CA C -7.430 0.553 -7.213 1.00 . A A . 4 ILE CA 1 1 7 1376 1 1 4 ILE CB C -6.392 0.397 -8.335 1.00 . A A . 4 ILE CB 1 1 7 1377 1 1 4 ILE CD1 C -3.919 0.026 -8.806 1.00 . A A . 4 ILE CD1 1 1 7 1378 1 1 4 ILE CG1 C -4.989 0.218 -7.752 1.00 . A A . 4 ILE CG1 1 1 7 1379 1 1 4 ILE CG2 C -6.438 1.594 -9.273 1.00 . A A . 4 ILE CG2 1 1 7 1380 1 1 4 ILE H H -6.145 1.928 -6.296 1.00 . A A . 4 ILE H 1 1 7 1381 1 1 4 ILE HA H -8.387 0.763 -7.666 1.00 . A A . 4 ILE HA 1 1 7 1382 1 1 4 ILE HB H -6.649 -0.474 -8.897 1.00 . A A . 4 ILE HB 1 1 7 1383 1 1 4 ILE HD11 H -3.232 0.858 -8.776 1.00 . A A . 4 ILE HD11 1 1 7 1384 1 1 4 ILE HD12 H -4.381 -0.023 -9.781 1.00 . A A . 4 ILE HD12 1 1 7 1385 1 1 4 ILE HD13 H -3.384 -0.892 -8.614 1.00 . A A . 4 ILE HD13 1 1 7 1386 1 1 4 ILE HG12 H -4.729 1.092 -7.175 1.00 . A A . 4 ILE HG12 1 1 7 1387 1 1 4 ILE HG13 H -4.981 -0.648 -7.109 1.00 . A A . 4 ILE HG13 1 1 7 1388 1 1 4 ILE HG21 H -6.245 1.267 -10.284 1.00 . A A . 4 ILE HG21 1 1 7 1389 1 1 4 ILE HG22 H -5.686 2.311 -8.977 1.00 . A A . 4 ILE HG22 1 1 7 1390 1 1 4 ILE HG23 H -7.413 2.055 -9.223 1.00 . A A . 4 ILE HG23 1 1 7 1391 1 1 4 ILE N N -7.082 1.669 -6.360 1.00 . A A . 4 ILE N 1 1 7 1392 1 1 4 ILE O O -7.697 -1.825 -7.017 1.00 . A A . 4 ILE O 1 1 7 1393 1 1 5 GLY C C -6.134 -2.328 -3.786 1.00 . A A . 5 GLY C 1 1 7 1394 1 1 5 GLY CA C -7.493 -1.864 -4.281 1.00 . A A . 5 GLY CA 1 1 7 1395 1 1 5 GLY H H -7.279 0.202 -4.686 1.00 . A A . 5 GLY H 1 1 7 1396 1 1 5 GLY HA2 H -8.122 -1.656 -3.429 1.00 . A A . 5 GLY HA2 1 1 7 1397 1 1 5 GLY HA3 H -7.943 -2.658 -4.859 1.00 . A A . 5 GLY HA3 1 1 7 1398 1 1 5 GLY N N -7.413 -0.672 -5.106 1.00 . A A . 5 GLY N 1 1 7 1399 1 1 5 GLY O O -6.051 -3.168 -2.891 1.00 . A A . 5 GLY O 1 1 7 1400 1 1 6 LEU C C -3.056 -1.042 -3.162 1.00 . A A . 6 LEU C 1 1 7 1401 1 1 6 LEU CA C -3.713 -2.153 -3.974 1.00 . A A . 6 LEU CA 1 1 7 1402 1 1 6 LEU CB C -2.864 -2.478 -5.207 1.00 . A A . 6 LEU CB 1 1 7 1403 1 1 6 LEU CD1 C -4.729 -3.554 -6.504 1.00 . A A . 6 LEU CD1 1 1 7 1404 1 1 6 LEU CD2 C -2.350 -3.971 -7.151 1.00 . A A . 6 LEU CD2 1 1 7 1405 1 1 6 LEU CG C -3.304 -3.714 -5.995 1.00 . A A . 6 LEU CG 1 1 7 1406 1 1 6 LEU H H -5.195 -1.119 -5.076 1.00 . A A . 6 LEU H 1 1 7 1407 1 1 6 LEU HA H -3.781 -3.037 -3.357 1.00 . A A . 6 LEU HA 1 1 7 1408 1 1 6 LEU HB2 H -2.893 -1.626 -5.871 1.00 . A A . 6 LEU HB2 1 1 7 1409 1 1 6 LEU HB3 H -1.845 -2.628 -4.887 1.00 . A A . 6 LEU HB3 1 1 7 1410 1 1 6 LEU HD11 H -4.824 -4.040 -7.464 1.00 . A A . 6 LEU HD11 1 1 7 1411 1 1 6 LEU HD12 H -4.958 -2.505 -6.606 1.00 . A A . 6 LEU HD12 1 1 7 1412 1 1 6 LEU HD13 H -5.414 -4.007 -5.802 1.00 . A A . 6 LEU HD13 1 1 7 1413 1 1 6 LEU HD21 H -2.825 -4.616 -7.875 1.00 . A A . 6 LEU HD21 1 1 7 1414 1 1 6 LEU HD22 H -1.453 -4.446 -6.780 1.00 . A A . 6 LEU HD22 1 1 7 1415 1 1 6 LEU HD23 H -2.091 -3.032 -7.620 1.00 . A A . 6 LEU HD23 1 1 7 1416 1 1 6 LEU HG H -3.279 -4.575 -5.344 1.00 . A A . 6 LEU HG 1 1 7 1417 1 1 6 LEU N N -5.069 -1.784 -4.368 1.00 . A A . 6 LEU N 1 1 7 1418 1 1 6 LEU O O -2.032 -0.486 -3.561 1.00 . A A . 6 LEU O 1 1 7 1419 1 1 7 ALA C C -2.403 -0.295 0.057 1.00 . A A . 7 ALA C 1 1 7 1420 1 1 7 ALA CA C -3.127 0.313 -1.140 1.00 . A A . 7 ALA CA 1 1 7 1421 1 1 7 ALA CB C -4.250 1.217 -0.665 1.00 . A A . 7 ALA CB 1 1 7 1422 1 1 7 ALA H H -4.464 -1.208 -1.755 1.00 . A A . 7 ALA H 1 1 7 1423 1 1 7 ALA HA H -2.430 0.911 -1.708 1.00 . A A . 7 ALA HA 1 1 7 1424 1 1 7 ALA HB1 H -4.914 0.655 -0.025 1.00 . A A . 7 ALA HB1 1 1 7 1425 1 1 7 ALA HB2 H -4.799 1.586 -1.519 1.00 . A A . 7 ALA HB2 1 1 7 1426 1 1 7 ALA HB3 H -3.835 2.047 -0.115 1.00 . A A . 7 ALA HB3 1 1 7 1427 1 1 7 ALA N N -3.652 -0.727 -2.017 1.00 . A A . 7 ALA N 1 1 7 1428 1 1 7 ALA O O -2.320 0.314 1.123 1.00 . A A . 7 ALA O 1 1 7 1429 1 1 8 TRP C C 0.182 -2.698 0.407 1.00 . A A . 8 TRP C 1 1 7 1430 1 1 8 TRP CA C -1.162 -2.205 0.923 1.00 . A A . 8 TRP CA 1 1 7 1431 1 1 8 TRP CB C -1.972 -3.406 1.404 1.00 . A A . 8 TRP CB 1 1 7 1432 1 1 8 TRP CD1 C -3.303 -4.202 -0.634 1.00 . A A . 8 TRP CD1 1 1 7 1433 1 1 8 TRP CD2 C -1.595 -5.532 -0.070 1.00 . A A . 8 TRP CD2 1 1 7 1434 1 1 8 TRP CE2 C -2.237 -6.081 -1.196 1.00 . A A . 8 TRP CE2 1 1 7 1435 1 1 8 TRP CE3 C -0.485 -6.193 0.460 1.00 . A A . 8 TRP CE3 1 1 7 1436 1 1 8 TRP CG C -2.308 -4.345 0.289 1.00 . A A . 8 TRP CG 1 1 7 1437 1 1 8 TRP CH2 C -0.709 -7.879 -1.265 1.00 . A A . 8 TRP CH2 1 1 7 1438 1 1 8 TRP CZ2 C -1.803 -7.257 -1.802 1.00 . A A . 8 TRP CZ2 1 1 7 1439 1 1 8 TRP CZ3 C -0.050 -7.357 -0.144 1.00 . A A . 8 TRP CZ3 1 1 7 1440 1 1 8 TRP H H -1.983 -1.931 -1.008 1.00 . A A . 8 TRP H 1 1 7 1441 1 1 8 TRP HA H -1.005 -1.523 1.745 1.00 . A A . 8 TRP HA 1 1 7 1442 1 1 8 TRP HB2 H -1.400 -3.950 2.143 1.00 . A A . 8 TRP HB2 1 1 7 1443 1 1 8 TRP HB3 H -2.898 -3.060 1.844 1.00 . A A . 8 TRP HB3 1 1 7 1444 1 1 8 TRP HD1 H -4.016 -3.390 -0.638 1.00 . A A . 8 TRP HD1 1 1 7 1445 1 1 8 TRP HE1 H -3.909 -5.385 -2.259 1.00 . A A . 8 TRP HE1 1 1 7 1446 1 1 8 TRP HE3 H 0.036 -5.806 1.323 1.00 . A A . 8 TRP HE3 1 1 7 1447 1 1 8 TRP HH2 H -0.334 -8.789 -1.705 1.00 . A A . 8 TRP HH2 1 1 7 1448 1 1 8 TRP HZ2 H -2.298 -7.672 -2.668 1.00 . A A . 8 TRP HZ2 1 1 7 1449 1 1 8 TRP HZ3 H 0.812 -7.876 0.250 1.00 . A A . 8 TRP HZ3 1 1 7 1450 1 1 8 TRP N N -1.882 -1.500 -0.132 1.00 . A A . 8 TRP N 1 1 7 1451 1 1 8 TRP NE1 N -3.283 -5.254 -1.516 1.00 . A A . 8 TRP NE1 1 1 7 1452 1 1 8 TRP O O 1.181 -2.693 1.125 1.00 . A A . 8 TRP O 1 1 7 1453 1 1 9 ILE C C 2.557 -2.677 -1.418 1.00 . A A . 9 ILE C 1 1 7 1454 1 1 9 ILE CA C 1.381 -3.658 -1.483 1.00 . A A . 9 ILE CA 1 1 7 1455 1 1 9 ILE CB C 1.114 -4.055 -2.948 1.00 . A A . 9 ILE CB 1 1 7 1456 1 1 9 ILE CD1 C 2.226 -4.922 -5.060 1.00 . A A . 9 ILE CD1 1 1 7 1457 1 1 9 ILE CG1 C 2.391 -4.595 -3.593 1.00 . A A . 9 ILE CG1 1 1 7 1458 1 1 9 ILE CG2 C 0.563 -2.878 -3.735 1.00 . A A . 9 ILE CG2 1 1 7 1459 1 1 9 ILE H H -0.656 -3.120 -1.354 1.00 . A A . 9 ILE H 1 1 7 1460 1 1 9 ILE HA H 1.663 -4.554 -0.948 1.00 . A A . 9 ILE HA 1 1 7 1461 1 1 9 ILE HB H 0.367 -4.834 -2.950 1.00 . A A . 9 ILE HB 1 1 7 1462 1 1 9 ILE HD11 H 1.242 -4.620 -5.386 1.00 . A A . 9 ILE HD11 1 1 7 1463 1 1 9 ILE HD12 H 2.346 -5.984 -5.208 1.00 . A A . 9 ILE HD12 1 1 7 1464 1 1 9 ILE HD13 H 2.974 -4.392 -5.633 1.00 . A A . 9 ILE HD13 1 1 7 1465 1 1 9 ILE HG12 H 3.175 -3.859 -3.498 1.00 . A A . 9 ILE HG12 1 1 7 1466 1 1 9 ILE HG13 H 2.689 -5.500 -3.084 1.00 . A A . 9 ILE HG13 1 1 7 1467 1 1 9 ILE HG21 H 1.356 -2.172 -3.930 1.00 . A A . 9 ILE HG21 1 1 7 1468 1 1 9 ILE HG22 H -0.218 -2.397 -3.164 1.00 . A A . 9 ILE HG22 1 1 7 1469 1 1 9 ILE HG23 H 0.158 -3.232 -4.671 1.00 . A A . 9 ILE HG23 1 1 7 1470 1 1 9 ILE N N 0.182 -3.139 -0.846 1.00 . A A . 9 ILE N 1 1 7 1471 1 1 9 ILE O O 3.691 -3.102 -1.191 1.00 . A A . 9 ILE O 1 1 7 1472 1 1 10 PRO C C 4.373 -0.636 -0.390 1.00 . A A . 10 PRO C 1 1 7 1473 1 1 10 PRO CA C 3.412 -0.360 -1.539 1.00 . A A . 10 PRO CA 1 1 7 1474 1 1 10 PRO CB C 2.670 0.972 -1.318 1.00 . A A . 10 PRO CB 1 1 7 1475 1 1 10 PRO CD C 1.050 -0.696 -1.864 1.00 . A A . 10 PRO CD 1 1 7 1476 1 1 10 PRO CG C 1.232 0.604 -1.140 1.00 . A A . 10 PRO CG 1 1 7 1477 1 1 10 PRO HA H 3.963 -0.318 -2.466 1.00 . A A . 10 PRO HA 1 1 7 1478 1 1 10 PRO HB2 H 3.062 1.461 -0.438 1.00 . A A . 10 PRO HB2 1 1 7 1479 1 1 10 PRO HB3 H 2.809 1.609 -2.178 1.00 . A A . 10 PRO HB3 1 1 7 1480 1 1 10 PRO HD2 H 0.222 -1.246 -1.451 1.00 . A A . 10 PRO HD2 1 1 7 1481 1 1 10 PRO HD3 H 0.910 -0.527 -2.922 1.00 . A A . 10 PRO HD3 1 1 7 1482 1 1 10 PRO HG2 H 1.016 0.477 -0.089 1.00 . A A . 10 PRO HG2 1 1 7 1483 1 1 10 PRO HG3 H 0.598 1.365 -1.569 1.00 . A A . 10 PRO HG3 1 1 7 1484 1 1 10 PRO N N 2.333 -1.353 -1.601 1.00 . A A . 10 PRO N 1 1 7 1485 1 1 10 PRO O O 5.560 -0.320 -0.466 1.00 . A A . 10 PRO O 1 1 7 1486 1 1 11 TYR C C 5.936 -2.299 1.411 1.00 . A A . 11 TYR C 1 1 7 1487 1 1 11 TYR CA C 4.649 -1.600 1.832 1.00 . A A . 11 TYR CA 1 1 7 1488 1 1 11 TYR CB C 3.843 -2.512 2.757 1.00 . A A . 11 TYR CB 1 1 7 1489 1 1 11 TYR CD1 C 2.239 -0.564 3.029 1.00 . A A . 11 TYR CD1 1 1 7 1490 1 1 11 TYR CD2 C 1.758 -2.598 4.180 1.00 . A A . 11 TYR CD2 1 1 7 1491 1 1 11 TYR CE1 C 1.095 0.007 3.556 1.00 . A A . 11 TYR CE1 1 1 7 1492 1 1 11 TYR CE2 C 0.615 -2.031 4.710 1.00 . A A . 11 TYR CE2 1 1 7 1493 1 1 11 TYR CG C 2.591 -1.878 3.331 1.00 . A A . 11 TYR CG 1 1 7 1494 1 1 11 TYR CZ C 0.288 -0.730 4.394 1.00 . A A . 11 TYR CZ 1 1 7 1495 1 1 11 TYR H H 2.898 -1.484 0.657 1.00 . A A . 11 TYR H 1 1 7 1496 1 1 11 TYR HA H 4.896 -0.689 2.358 1.00 . A A . 11 TYR HA 1 1 7 1497 1 1 11 TYR HB2 H 3.542 -3.389 2.200 1.00 . A A . 11 TYR HB2 1 1 7 1498 1 1 11 TYR HB3 H 4.471 -2.818 3.583 1.00 . A A . 11 TYR HB3 1 1 7 1499 1 1 11 TYR HD1 H 2.872 0.012 2.372 1.00 . A A . 11 TYR HD1 1 1 7 1500 1 1 11 TYR HD2 H 2.016 -3.617 4.426 1.00 . A A . 11 TYR HD2 1 1 7 1501 1 1 11 TYR HE1 H 0.839 1.027 3.308 1.00 . A A . 11 TYR HE1 1 1 7 1502 1 1 11 TYR HE2 H -0.019 -2.608 5.368 1.00 . A A . 11 TYR HE2 1 1 7 1503 1 1 11 TYR HH H -1.359 0.247 4.216 1.00 . A A . 11 TYR HH 1 1 7 1504 1 1 11 TYR N N 3.848 -1.249 0.666 1.00 . A A . 11 TYR N 1 1 7 1505 1 1 11 TYR O O 7.018 -1.983 1.901 1.00 . A A . 11 TYR O 1 1 7 1506 1 1 11 TYR OH O -0.850 -0.164 4.920 1.00 . A A . 11 TYR OH 1 1 7 1507 1 1 12 PHE C C 7.780 -3.150 -0.965 1.00 . A A . 12 PHE C 1 1 7 1508 1 1 12 PHE CA C 6.954 -3.999 -0.002 1.00 . A A . 12 PHE CA 1 1 7 1509 1 1 12 PHE CB C 6.497 -5.283 -0.698 1.00 . A A . 12 PHE CB 1 1 7 1510 1 1 12 PHE CD1 C 6.365 -6.738 1.342 1.00 . A A . 12 PHE CD1 1 1 7 1511 1 1 12 PHE CD2 C 4.454 -6.601 -0.077 1.00 . A A . 12 PHE CD2 1 1 7 1512 1 1 12 PHE CE1 C 5.689 -7.606 2.177 1.00 . A A . 12 PHE CE1 1 1 7 1513 1 1 12 PHE CE2 C 3.772 -7.470 0.754 1.00 . A A . 12 PHE CE2 1 1 7 1514 1 1 12 PHE CG C 5.756 -6.226 0.207 1.00 . A A . 12 PHE CG 1 1 7 1515 1 1 12 PHE CZ C 4.390 -7.973 1.882 1.00 . A A . 12 PHE CZ 1 1 7 1516 1 1 12 PHE H H 4.909 -3.455 0.140 1.00 . A A . 12 PHE H 1 1 7 1517 1 1 12 PHE HA H 7.568 -4.261 0.846 1.00 . A A . 12 PHE HA 1 1 7 1518 1 1 12 PHE HB2 H 5.839 -5.025 -1.518 1.00 . A A . 12 PHE HB2 1 1 7 1519 1 1 12 PHE HB3 H 7.364 -5.802 -1.085 1.00 . A A . 12 PHE HB3 1 1 7 1520 1 1 12 PHE HD1 H 7.381 -6.451 1.573 1.00 . A A . 12 PHE HD1 1 1 7 1521 1 1 12 PHE HD2 H 3.970 -6.209 -0.959 1.00 . A A . 12 PHE HD2 1 1 7 1522 1 1 12 PHE HE1 H 6.175 -7.999 3.057 1.00 . A A . 12 PHE HE1 1 1 7 1523 1 1 12 PHE HE2 H 2.757 -7.754 0.520 1.00 . A A . 12 PHE HE2 1 1 7 1524 1 1 12 PHE HZ H 3.859 -8.652 2.533 1.00 . A A . 12 PHE HZ 1 1 7 1525 1 1 12 PHE N N 5.803 -3.251 0.494 1.00 . A A . 12 PHE N 1 1 7 1526 1 1 12 PHE O O 8.989 -3.344 -1.095 1.00 . A A . 12 PHE O 1 1 7 1527 1 1 13 GLY C C 8.758 -0.380 -1.893 1.00 . A A . 13 GLY C 1 1 7 1528 1 1 13 GLY CA C 7.813 -1.351 -2.579 1.00 . A A . 13 GLY CA 1 1 7 1529 1 1 13 GLY H H 6.158 -2.104 -1.495 1.00 . A A . 13 GLY H 1 1 7 1530 1 1 13 GLY HA2 H 8.380 -1.966 -3.261 1.00 . A A . 13 GLY HA2 1 1 7 1531 1 1 13 GLY HA3 H 7.081 -0.792 -3.142 1.00 . A A . 13 GLY HA3 1 1 7 1532 1 1 13 GLY N N 7.121 -2.213 -1.638 1.00 . A A . 13 GLY N 1 1 7 1533 1 1 13 GLY O O 9.745 -0.800 -1.287 1.00 . A A . 13 GLY O 1 1 7 1534 1 1 14 PRO C C 9.428 1.780 0.173 1.00 . A A . 14 PRO C 1 1 7 1535 1 1 14 PRO CA C 9.338 1.953 -1.340 1.00 . A A . 14 PRO CA 1 1 7 1536 1 1 14 PRO CB C 8.654 3.280 -1.689 1.00 . A A . 14 PRO CB 1 1 7 1537 1 1 14 PRO CD C 7.337 1.538 -2.665 1.00 . A A . 14 PRO CD 1 1 7 1538 1 1 14 PRO CG C 7.260 2.916 -2.074 1.00 . A A . 14 PRO CG 1 1 7 1539 1 1 14 PRO HA H 10.335 1.941 -1.758 1.00 . A A . 14 PRO HA 1 1 7 1540 1 1 14 PRO HB2 H 8.665 3.931 -0.825 1.00 . A A . 14 PRO HB2 1 1 7 1541 1 1 14 PRO HB3 H 9.176 3.751 -2.509 1.00 . A A . 14 PRO HB3 1 1 7 1542 1 1 14 PRO HD2 H 6.431 0.987 -2.462 1.00 . A A . 14 PRO HD2 1 1 7 1543 1 1 14 PRO HD3 H 7.518 1.592 -3.729 1.00 . A A . 14 PRO HD3 1 1 7 1544 1 1 14 PRO HG2 H 6.625 2.913 -1.200 1.00 . A A . 14 PRO HG2 1 1 7 1545 1 1 14 PRO HG3 H 6.887 3.616 -2.807 1.00 . A A . 14 PRO HG3 1 1 7 1546 1 1 14 PRO N N 8.487 0.936 -1.968 1.00 . A A . 14 PRO N 1 1 7 1547 1 1 14 PRO O O 10.504 1.528 0.716 1.00 . A A . 14 PRO O 1 1 7 1548 1 1 15 ALA C C 9.171 2.788 2.979 1.00 . A A . 15 ALA C 1 1 7 1549 1 1 15 ALA CA C 8.245 1.783 2.301 1.00 . A A . 15 ALA CA 1 1 7 1550 1 1 15 ALA CB C 8.609 0.363 2.709 1.00 . A A . 15 ALA CB 1 1 7 1551 1 1 15 ALA H H 7.468 2.124 0.363 1.00 . A A . 15 ALA H 1 1 7 1552 1 1 15 ALA HA H 7.231 1.973 2.619 1.00 . A A . 15 ALA HA 1 1 7 1553 1 1 15 ALA HB1 H 9.304 0.392 3.535 1.00 . A A . 15 ALA HB1 1 1 7 1554 1 1 15 ALA HB2 H 9.067 -0.145 1.873 1.00 . A A . 15 ALA HB2 1 1 7 1555 1 1 15 ALA HB3 H 7.717 -0.166 3.007 1.00 . A A . 15 ALA HB3 1 1 7 1556 1 1 15 ALA N N 8.292 1.922 0.850 1.00 . A A . 15 ALA N 1 1 7 1557 1 1 15 ALA O O 10.242 2.430 3.467 1.00 . A A . 15 ALA O 1 1 7 1558 1 1 16 ALA C C 9.059 5.394 5.037 1.00 . A A . 16 ALA C 1 1 7 1559 1 1 16 ALA CA C 9.543 5.105 3.620 1.00 . A A . 16 ALA CA 1 1 7 1560 1 1 16 ALA CB C 9.487 6.368 2.774 1.00 . A A . 16 ALA CB 1 1 7 1561 1 1 16 ALA H H 7.888 4.272 2.596 1.00 . A A . 16 ALA H 1 1 7 1562 1 1 16 ALA HA H 10.570 4.772 3.661 1.00 . A A . 16 ALA HA 1 1 7 1563 1 1 16 ALA HB1 H 9.248 6.107 1.754 1.00 . A A . 16 ALA HB1 1 1 7 1564 1 1 16 ALA HB2 H 10.446 6.863 2.802 1.00 . A A . 16 ALA HB2 1 1 7 1565 1 1 16 ALA HB3 H 8.728 7.030 3.163 1.00 . A A . 16 ALA HB3 1 1 7 1566 1 1 16 ALA N N 8.751 4.048 3.003 1.00 . A A . 16 ALA N 1 1 7 1567 1 1 16 ALA O O 9.841 5.172 5.984 1.00 . A A . 16 ALA O 1 1 7 1568 1 1 16 ALA OXT O 7.903 5.841 5.188 1.00 . A A . 16 ALA OXT 1 1 8 1569 1 1 1 GLY C C -9.051 -8.581 -2.511 1.00 . A A . 1 GLY C 1 1 8 1570 1 1 1 GLY CA C -9.299 -9.560 -1.381 1.00 . A A . 1 GLY CA 1 1 8 1571 1 1 1 GLY H1 H -7.354 -10.240 -1.725 1.00 . A A . 1 GLY H1 1 1 8 1572 1 1 1 GLY H2 H -8.274 -11.267 -0.747 1.00 . A A . 1 GLY H2 1 1 8 1573 1 1 1 GLY H3 H -7.659 -9.824 -0.114 1.00 . A A . 1 GLY H3 1 1 8 1574 1 1 1 GLY HA2 H -10.028 -10.289 -1.703 1.00 . A A . 1 GLY HA2 1 1 8 1575 1 1 1 GLY HA3 H -9.694 -9.022 -0.532 1.00 . A A . 1 GLY HA3 1 1 8 1576 1 1 1 GLY N N -8.060 -10.272 -0.962 1.00 . A A . 1 GLY N 1 1 8 1577 1 1 1 GLY O O -7.904 -8.298 -2.856 1.00 . A A . 1 GLY O 1 1 8 1578 1 1 2 ALA C C -10.840 -5.851 -3.900 1.00 . A A . 2 ALA C 1 1 8 1579 1 1 2 ALA CA C -10.026 -7.109 -4.186 1.00 . A A . 2 ALA CA 1 1 8 1580 1 1 2 ALA CB C -10.481 -7.751 -5.488 1.00 . A A . 2 ALA CB 1 1 8 1581 1 1 2 ALA H H -11.017 -8.325 -2.768 1.00 . A A . 2 ALA H 1 1 8 1582 1 1 2 ALA HA H -8.985 -6.835 -4.292 1.00 . A A . 2 ALA HA 1 1 8 1583 1 1 2 ALA HB1 H -10.055 -8.740 -5.570 1.00 . A A . 2 ALA HB1 1 1 8 1584 1 1 2 ALA HB2 H -10.155 -7.147 -6.320 1.00 . A A . 2 ALA HB2 1 1 8 1585 1 1 2 ALA HB3 H -11.558 -7.822 -5.495 1.00 . A A . 2 ALA HB3 1 1 8 1586 1 1 2 ALA N N -10.129 -8.062 -3.087 1.00 . A A . 2 ALA N 1 1 8 1587 1 1 2 ALA O O -11.413 -5.251 -4.811 1.00 . A A . 2 ALA O 1 1 8 1588 1 1 3 ALA C C -10.909 -3.526 -1.108 1.00 . A A . 3 ALA C 1 1 8 1589 1 1 3 ALA CA C -11.630 -4.271 -2.228 1.00 . A A . 3 ALA CA 1 1 8 1590 1 1 3 ALA CB C -13.034 -4.655 -1.788 1.00 . A A . 3 ALA CB 1 1 8 1591 1 1 3 ALA H H -10.408 -5.977 -1.952 1.00 . A A . 3 ALA H 1 1 8 1592 1 1 3 ALA HA H -11.712 -3.620 -3.086 1.00 . A A . 3 ALA HA 1 1 8 1593 1 1 3 ALA HB1 H -13.380 -3.959 -1.037 1.00 . A A . 3 ALA HB1 1 1 8 1594 1 1 3 ALA HB2 H -13.023 -5.653 -1.378 1.00 . A A . 3 ALA HB2 1 1 8 1595 1 1 3 ALA HB3 H -13.699 -4.623 -2.640 1.00 . A A . 3 ALA HB3 1 1 8 1596 1 1 3 ALA N N -10.885 -5.457 -2.632 1.00 . A A . 3 ALA N 1 1 8 1597 1 1 3 ALA O O -11.542 -2.961 -0.217 1.00 . A A . 3 ALA O 1 1 8 1598 1 1 4 ILE C C -8.213 -1.536 -0.685 1.00 . A A . 4 ILE C 1 1 8 1599 1 1 4 ILE CA C -8.774 -2.852 -0.154 1.00 . A A . 4 ILE CA 1 1 8 1600 1 1 4 ILE CB C -7.610 -3.745 0.324 1.00 . A A . 4 ILE CB 1 1 8 1601 1 1 4 ILE CD1 C -5.643 -3.854 1.939 1.00 . A A . 4 ILE CD1 1 1 8 1602 1 1 4 ILE CG1 C -6.804 -3.036 1.417 1.00 . A A . 4 ILE CG1 1 1 8 1603 1 1 4 ILE CG2 C -6.711 -4.120 -0.847 1.00 . A A . 4 ILE CG2 1 1 8 1604 1 1 4 ILE H H -9.133 -3.997 -1.898 1.00 . A A . 4 ILE H 1 1 8 1605 1 1 4 ILE HA H -9.409 -2.642 0.692 1.00 . A A . 4 ILE HA 1 1 8 1606 1 1 4 ILE HB H -8.026 -4.654 0.729 1.00 . A A . 4 ILE HB 1 1 8 1607 1 1 4 ILE HD11 H -5.933 -4.893 1.999 1.00 . A A . 4 ILE HD11 1 1 8 1608 1 1 4 ILE HD12 H -5.366 -3.501 2.922 1.00 . A A . 4 ILE HD12 1 1 8 1609 1 1 4 ILE HD13 H -4.802 -3.752 1.270 1.00 . A A . 4 ILE HD13 1 1 8 1610 1 1 4 ILE HG12 H -6.407 -2.114 1.021 1.00 . A A . 4 ILE HG12 1 1 8 1611 1 1 4 ILE HG13 H -7.456 -2.815 2.249 1.00 . A A . 4 ILE HG13 1 1 8 1612 1 1 4 ILE HG21 H -7.163 -3.791 -1.771 1.00 . A A . 4 ILE HG21 1 1 8 1613 1 1 4 ILE HG22 H -6.581 -5.192 -0.871 1.00 . A A . 4 ILE HG22 1 1 8 1614 1 1 4 ILE HG23 H -5.748 -3.643 -0.730 1.00 . A A . 4 ILE HG23 1 1 8 1615 1 1 4 ILE N N -9.581 -3.528 -1.162 1.00 . A A . 4 ILE N 1 1 8 1616 1 1 4 ILE O O -7.834 -0.655 0.086 1.00 . A A . 4 ILE O 1 1 8 1617 1 1 5 GLY C C -6.266 -0.384 -3.218 1.00 . A A . 5 GLY C 1 1 8 1618 1 1 5 GLY CA C -7.649 -0.197 -2.618 1.00 . A A . 5 GLY CA 1 1 8 1619 1 1 5 GLY H H -8.479 -2.143 -2.572 1.00 . A A . 5 GLY H 1 1 8 1620 1 1 5 GLY HA2 H -8.327 0.114 -3.398 1.00 . A A . 5 GLY HA2 1 1 8 1621 1 1 5 GLY HA3 H -7.600 0.577 -1.867 1.00 . A A . 5 GLY HA3 1 1 8 1622 1 1 5 GLY N N -8.163 -1.409 -2.007 1.00 . A A . 5 GLY N 1 1 8 1623 1 1 5 GLY O O -5.602 0.591 -3.569 1.00 . A A . 5 GLY O 1 1 8 1624 1 1 6 LEU C C -3.433 -1.061 -3.302 1.00 . A A . 6 LEU C 1 1 8 1625 1 1 6 LEU CA C -4.521 -1.947 -3.904 1.00 . A A . 6 LEU CA 1 1 8 1626 1 1 6 LEU CB C -4.548 -1.779 -5.425 1.00 . A A . 6 LEU CB 1 1 8 1627 1 1 6 LEU CD1 C -6.930 -2.510 -5.744 1.00 . A A . 6 LEU CD1 1 1 8 1628 1 1 6 LEU CD2 C -5.343 -2.543 -7.676 1.00 . A A . 6 LEU CD2 1 1 8 1629 1 1 6 LEU CG C -5.487 -2.729 -6.172 1.00 . A A . 6 LEU CG 1 1 8 1630 1 1 6 LEU H H -6.407 -2.372 -3.046 1.00 . A A . 6 LEU H 1 1 8 1631 1 1 6 LEU HA H -4.298 -2.976 -3.670 1.00 . A A . 6 LEU HA 1 1 8 1632 1 1 6 LEU HB2 H -4.848 -0.767 -5.645 1.00 . A A . 6 LEU HB2 1 1 8 1633 1 1 6 LEU HB3 H -3.545 -1.931 -5.799 1.00 . A A . 6 LEU HB3 1 1 8 1634 1 1 6 LEU HD11 H -7.108 -3.013 -4.805 1.00 . A A . 6 LEU HD11 1 1 8 1635 1 1 6 LEU HD12 H -7.593 -2.907 -6.498 1.00 . A A . 6 LEU HD12 1 1 8 1636 1 1 6 LEU HD13 H -7.113 -1.452 -5.625 1.00 . A A . 6 LEU HD13 1 1 8 1637 1 1 6 LEU HD21 H -4.392 -2.943 -7.999 1.00 . A A . 6 LEU HD21 1 1 8 1638 1 1 6 LEU HD22 H -5.390 -1.491 -7.915 1.00 . A A . 6 LEU HD22 1 1 8 1639 1 1 6 LEU HD23 H -6.143 -3.064 -8.181 1.00 . A A . 6 LEU HD23 1 1 8 1640 1 1 6 LEU HG H -5.222 -3.748 -5.935 1.00 . A A . 6 LEU HG 1 1 8 1641 1 1 6 LEU N N -5.832 -1.636 -3.339 1.00 . A A . 6 LEU N 1 1 8 1642 1 1 6 LEU O O -2.433 -0.759 -3.953 1.00 . A A . 6 LEU O 1 1 8 1643 1 1 7 ALA C C -1.994 -0.547 -0.225 1.00 . A A . 7 ALA C 1 1 8 1644 1 1 7 ALA CA C -2.671 0.202 -1.367 1.00 . A A . 7 ALA CA 1 1 8 1645 1 1 7 ALA CB C -3.352 1.456 -0.844 1.00 . A A . 7 ALA CB 1 1 8 1646 1 1 7 ALA H H -4.451 -0.921 -1.586 1.00 . A A . 7 ALA H 1 1 8 1647 1 1 7 ALA HA H -1.919 0.502 -2.082 1.00 . A A . 7 ALA HA 1 1 8 1648 1 1 7 ALA HB1 H -4.099 1.182 -0.114 1.00 . A A . 7 ALA HB1 1 1 8 1649 1 1 7 ALA HB2 H -3.824 1.978 -1.664 1.00 . A A . 7 ALA HB2 1 1 8 1650 1 1 7 ALA HB3 H -2.616 2.098 -0.383 1.00 . A A . 7 ALA HB3 1 1 8 1651 1 1 7 ALA N N -3.635 -0.649 -2.055 1.00 . A A . 7 ALA N 1 1 8 1652 1 1 7 ALA O O -1.757 0.012 0.847 1.00 . A A . 7 ALA O 1 1 8 1653 1 1 8 TRP C C 0.384 -3.002 0.106 1.00 . A A . 8 TRP C 1 1 8 1654 1 1 8 TRP CA C -1.032 -2.647 0.541 1.00 . A A . 8 TRP CA 1 1 8 1655 1 1 8 TRP CB C -1.821 -3.936 0.764 1.00 . A A . 8 TRP CB 1 1 8 1656 1 1 8 TRP CD1 C -2.793 -4.500 -1.541 1.00 . A A . 8 TRP CD1 1 1 8 1657 1 1 8 TRP CD2 C -1.205 -5.910 -0.838 1.00 . A A . 8 TRP CD2 1 1 8 1658 1 1 8 TRP CE2 C -1.650 -6.333 -2.104 1.00 . A A . 8 TRP CE2 1 1 8 1659 1 1 8 TRP CE3 C -0.200 -6.638 -0.198 1.00 . A A . 8 TRP CE3 1 1 8 1660 1 1 8 TRP CG C -1.962 -4.749 -0.487 1.00 . A A . 8 TRP CG 1 1 8 1661 1 1 8 TRP CH2 C -0.135 -8.143 -2.094 1.00 . A A . 8 TRP CH2 1 1 8 1662 1 1 8 TRP CZ2 C -1.122 -7.451 -2.742 1.00 . A A . 8 TRP CZ2 1 1 8 1663 1 1 8 TRP CZ3 C 0.326 -7.745 -0.833 1.00 . A A . 8 TRP CZ3 1 1 8 1664 1 1 8 TRP H H -1.898 -2.201 -1.337 1.00 . A A . 8 TRP H 1 1 8 1665 1 1 8 TRP HA H -0.992 -2.090 1.465 1.00 . A A . 8 TRP HA 1 1 8 1666 1 1 8 TRP HB2 H -1.309 -4.541 1.501 1.00 . A A . 8 TRP HB2 1 1 8 1667 1 1 8 TRP HB3 H -2.812 -3.691 1.120 1.00 . A A . 8 TRP HB3 1 1 8 1668 1 1 8 TRP HD1 H -3.495 -3.679 -1.582 1.00 . A A . 8 TRP HD1 1 1 8 1669 1 1 8 TRP HE1 H -3.118 -5.508 -3.356 1.00 . A A . 8 TRP HE1 1 1 8 1670 1 1 8 TRP HE3 H 0.168 -6.346 0.774 1.00 . A A . 8 TRP HE3 1 1 8 1671 1 1 8 TRP HH2 H 0.306 -9.016 -2.555 1.00 . A A . 8 TRP HH2 1 1 8 1672 1 1 8 TRP HZ2 H -1.466 -7.771 -3.715 1.00 . A A . 8 TRP HZ2 1 1 8 1673 1 1 8 TRP HZ3 H 1.109 -8.317 -0.356 1.00 . A A . 8 TRP HZ3 1 1 8 1674 1 1 8 TRP N N -1.685 -1.815 -0.463 1.00 . A A . 8 TRP N 1 1 8 1675 1 1 8 TRP NE1 N -2.626 -5.459 -2.509 1.00 . A A . 8 TRP NE1 1 1 8 1676 1 1 8 TRP O O 1.291 -3.116 0.930 1.00 . A A . 8 TRP O 1 1 8 1677 1 1 9 ILE C C 2.912 -2.458 -1.547 1.00 . A A . 9 ILE C 1 1 8 1678 1 1 9 ILE CA C 1.863 -3.558 -1.731 1.00 . A A . 9 ILE CA 1 1 8 1679 1 1 9 ILE CB C 1.777 -3.968 -3.219 1.00 . A A . 9 ILE CB 1 1 8 1680 1 1 9 ILE CD1 C 4.045 -3.104 -4.077 1.00 . A A . 9 ILE CD1 1 1 8 1681 1 1 9 ILE CG1 C 3.175 -4.305 -3.755 1.00 . A A . 9 ILE CG1 1 1 8 1682 1 1 9 ILE CG2 C 1.110 -2.883 -4.053 1.00 . A A . 9 ILE CG2 1 1 8 1683 1 1 9 ILE H H -0.203 -3.105 -1.799 1.00 . A A . 9 ILE H 1 1 8 1684 1 1 9 ILE HA H 2.198 -4.423 -1.180 1.00 . A A . 9 ILE HA 1 1 8 1685 1 1 9 ILE HB H 1.161 -4.853 -3.280 1.00 . A A . 9 ILE HB 1 1 8 1686 1 1 9 ILE HD11 H 4.936 -3.134 -3.470 1.00 . A A . 9 ILE HD11 1 1 8 1687 1 1 9 ILE HD12 H 3.502 -2.195 -3.874 1.00 . A A . 9 ILE HD12 1 1 8 1688 1 1 9 ILE HD13 H 4.320 -3.132 -5.121 1.00 . A A . 9 ILE HD13 1 1 8 1689 1 1 9 ILE HG12 H 3.692 -4.873 -2.996 1.00 . A A . 9 ILE HG12 1 1 8 1690 1 1 9 ILE HG13 H 3.080 -4.904 -4.649 1.00 . A A . 9 ILE HG13 1 1 8 1691 1 1 9 ILE HG21 H 1.732 -2.003 -4.071 1.00 . A A . 9 ILE HG21 1 1 8 1692 1 1 9 ILE HG22 H 0.151 -2.636 -3.624 1.00 . A A . 9 ILE HG22 1 1 8 1693 1 1 9 ILE HG23 H 0.969 -3.243 -5.061 1.00 . A A . 9 ILE HG23 1 1 8 1694 1 1 9 ILE N N 0.562 -3.196 -1.192 1.00 . A A . 9 ILE N 1 1 8 1695 1 1 9 ILE O O 4.068 -2.765 -1.256 1.00 . A A . 9 ILE O 1 1 8 1696 1 1 10 PRO C C 4.415 -0.283 -0.341 1.00 . A A . 10 PRO C 1 1 8 1697 1 1 10 PRO CA C 3.504 -0.061 -1.539 1.00 . A A . 10 PRO CA 1 1 8 1698 1 1 10 PRO CB C 2.606 1.170 -1.326 1.00 . A A . 10 PRO CB 1 1 8 1699 1 1 10 PRO CD C 1.224 -0.657 -2.043 1.00 . A A . 10 PRO CD 1 1 8 1700 1 1 10 PRO CG C 1.201 0.650 -1.302 1.00 . A A . 10 PRO CG 1 1 8 1701 1 1 10 PRO HA H 4.107 0.075 -2.424 1.00 . A A . 10 PRO HA 1 1 8 1702 1 1 10 PRO HB2 H 2.862 1.646 -0.390 1.00 . A A . 10 PRO HB2 1 1 8 1703 1 1 10 PRO HB3 H 2.751 1.866 -2.137 1.00 . A A . 10 PRO HB3 1 1 8 1704 1 1 10 PRO HD2 H 0.445 -1.304 -1.682 1.00 . A A . 10 PRO HD2 1 1 8 1705 1 1 10 PRO HD3 H 1.131 -0.499 -3.107 1.00 . A A . 10 PRO HD3 1 1 8 1706 1 1 10 PRO HG2 H 0.887 0.494 -0.282 1.00 . A A . 10 PRO HG2 1 1 8 1707 1 1 10 PRO HG3 H 0.543 1.348 -1.794 1.00 . A A . 10 PRO HG3 1 1 8 1708 1 1 10 PRO N N 2.553 -1.165 -1.704 1.00 . A A . 10 PRO N 1 1 8 1709 1 1 10 PRO O O 5.571 0.138 -0.331 1.00 . A A . 10 PRO O 1 1 8 1710 1 1 11 TYR C C 5.809 -2.202 1.529 1.00 . A A . 11 TYR C 1 1 8 1711 1 1 11 TYR CA C 4.631 -1.294 1.858 1.00 . A A . 11 TYR CA 1 1 8 1712 1 1 11 TYR CB C 3.710 -1.970 2.868 1.00 . A A . 11 TYR CB 1 1 8 1713 1 1 11 TYR CD1 C 2.998 0.127 4.070 1.00 . A A . 11 TYR CD1 1 1 8 1714 1 1 11 TYR CD2 C 1.295 -1.332 3.268 1.00 . A A . 11 TYR CD2 1 1 8 1715 1 1 11 TYR CE1 C 2.035 0.982 4.573 1.00 . A A . 11 TYR CE1 1 1 8 1716 1 1 11 TYR CE2 C 0.325 -0.482 3.765 1.00 . A A . 11 TYR CE2 1 1 8 1717 1 1 11 TYR CG C 2.645 -1.042 3.412 1.00 . A A . 11 TYR CG 1 1 8 1718 1 1 11 TYR CZ C 0.700 0.673 4.417 1.00 . A A . 11 TYR CZ 1 1 8 1719 1 1 11 TYR H H 2.960 -1.294 0.577 1.00 . A A . 11 TYR H 1 1 8 1720 1 1 11 TYR HA H 5.003 -0.373 2.279 1.00 . A A . 11 TYR HA 1 1 8 1721 1 1 11 TYR HB2 H 3.215 -2.803 2.383 1.00 . A A . 11 TYR HB2 1 1 8 1722 1 1 11 TYR HB3 H 4.296 -2.334 3.697 1.00 . A A . 11 TYR HB3 1 1 8 1723 1 1 11 TYR HD1 H 4.044 0.367 4.188 1.00 . A A . 11 TYR HD1 1 1 8 1724 1 1 11 TYR HD2 H 1.004 -2.236 2.756 1.00 . A A . 11 TYR HD2 1 1 8 1725 1 1 11 TYR HE1 H 2.331 1.887 5.083 1.00 . A A . 11 TYR HE1 1 1 8 1726 1 1 11 TYR HE2 H -0.719 -0.726 3.642 1.00 . A A . 11 TYR HE2 1 1 8 1727 1 1 11 TYR HH H -0.796 1.055 5.563 1.00 . A A . 11 TYR HH 1 1 8 1728 1 1 11 TYR N N 3.883 -0.976 0.658 1.00 . A A . 11 TYR N 1 1 8 1729 1 1 11 TYR O O 6.951 -1.904 1.875 1.00 . A A . 11 TYR O 1 1 8 1730 1 1 11 TYR OH O -0.261 1.521 4.915 1.00 . A A . 11 TYR OH 1 1 8 1731 1 1 12 PHE C C 7.530 -3.613 -0.536 1.00 . A A . 12 PHE C 1 1 8 1732 1 1 12 PHE CA C 6.561 -4.249 0.459 1.00 . A A . 12 PHE CA 1 1 8 1733 1 1 12 PHE CB C 5.940 -5.510 -0.144 1.00 . A A . 12 PHE CB 1 1 8 1734 1 1 12 PHE CD1 C 5.565 -6.753 2.003 1.00 . A A . 12 PHE CD1 1 1 8 1735 1 1 12 PHE CD2 C 3.716 -6.459 0.526 1.00 . A A . 12 PHE CD2 1 1 8 1736 1 1 12 PHE CE1 C 4.754 -7.440 2.886 1.00 . A A . 12 PHE CE1 1 1 8 1737 1 1 12 PHE CE2 C 2.899 -7.145 1.406 1.00 . A A . 12 PHE CE2 1 1 8 1738 1 1 12 PHE CG C 5.055 -6.255 0.813 1.00 . A A . 12 PHE CG 1 1 8 1739 1 1 12 PHE CZ C 3.420 -7.635 2.588 1.00 . A A . 12 PHE CZ 1 1 8 1740 1 1 12 PHE H H 4.591 -3.486 0.591 1.00 . A A . 12 PHE H 1 1 8 1741 1 1 12 PHE HA H 7.109 -4.521 1.350 1.00 . A A . 12 PHE HA 1 1 8 1742 1 1 12 PHE HB2 H 5.342 -5.233 -1.002 1.00 . A A . 12 PHE HB2 1 1 8 1743 1 1 12 PHE HB3 H 6.730 -6.178 -0.459 1.00 . A A . 12 PHE HB3 1 1 8 1744 1 1 12 PHE HD1 H 6.607 -6.599 2.236 1.00 . A A . 12 PHE HD1 1 1 8 1745 1 1 12 PHE HD2 H 3.307 -6.075 -0.398 1.00 . A A . 12 PHE HD2 1 1 8 1746 1 1 12 PHE HE1 H 5.164 -7.823 3.809 1.00 . A A . 12 PHE HE1 1 1 8 1747 1 1 12 PHE HE2 H 1.857 -7.298 1.171 1.00 . A A . 12 PHE HE2 1 1 8 1748 1 1 12 PHE HZ H 2.785 -8.173 3.278 1.00 . A A . 12 PHE HZ 1 1 8 1749 1 1 12 PHE N N 5.522 -3.306 0.847 1.00 . A A . 12 PHE N 1 1 8 1750 1 1 12 PHE O O 8.621 -4.134 -0.770 1.00 . A A . 12 PHE O 1 1 8 1751 1 1 13 GLY C C 7.532 -2.007 -3.511 1.00 . A A . 13 GLY C 1 1 8 1752 1 1 13 GLY CA C 7.985 -1.804 -2.076 1.00 . A A . 13 GLY CA 1 1 8 1753 1 1 13 GLY H H 6.251 -2.107 -0.896 1.00 . A A . 13 GLY H 1 1 8 1754 1 1 13 GLY HA2 H 7.986 -0.748 -1.853 1.00 . A A . 13 GLY HA2 1 1 8 1755 1 1 13 GLY HA3 H 8.991 -2.182 -1.972 1.00 . A A . 13 GLY HA3 1 1 8 1756 1 1 13 GLY N N 7.130 -2.483 -1.119 1.00 . A A . 13 GLY N 1 1 8 1757 1 1 13 GLY O O 7.714 -3.087 -4.071 1.00 . A A . 13 GLY O 1 1 8 1758 1 1 14 PRO C C 7.553 -1.564 -6.476 1.00 . A A . 14 PRO C 1 1 8 1759 1 1 14 PRO CA C 6.465 -1.070 -5.527 1.00 . A A . 14 PRO CA 1 1 8 1760 1 1 14 PRO CB C 6.073 0.370 -5.869 1.00 . A A . 14 PRO CB 1 1 8 1761 1 1 14 PRO CD C 6.676 0.351 -3.557 1.00 . A A . 14 PRO CD 1 1 8 1762 1 1 14 PRO CG C 5.755 0.996 -4.555 1.00 . A A . 14 PRO CG 1 1 8 1763 1 1 14 PRO HA H 5.600 -1.710 -5.610 1.00 . A A . 14 PRO HA 1 1 8 1764 1 1 14 PRO HB2 H 6.902 0.867 -6.354 1.00 . A A . 14 PRO HB2 1 1 8 1765 1 1 14 PRO HB3 H 5.211 0.367 -6.522 1.00 . A A . 14 PRO HB3 1 1 8 1766 1 1 14 PRO HD2 H 7.591 0.918 -3.466 1.00 . A A . 14 PRO HD2 1 1 8 1767 1 1 14 PRO HD3 H 6.190 0.262 -2.597 1.00 . A A . 14 PRO HD3 1 1 8 1768 1 1 14 PRO HG2 H 5.938 2.060 -4.602 1.00 . A A . 14 PRO HG2 1 1 8 1769 1 1 14 PRO HG3 H 4.726 0.802 -4.295 1.00 . A A . 14 PRO HG3 1 1 8 1770 1 1 14 PRO N N 6.936 -0.977 -4.141 1.00 . A A . 14 PRO N 1 1 8 1771 1 1 14 PRO O O 8.743 -1.393 -6.213 1.00 . A A . 14 PRO O 1 1 8 1772 1 1 15 ALA C C 8.108 -1.813 -9.808 1.00 . A A . 15 ALA C 1 1 8 1773 1 1 15 ALA CA C 8.074 -2.695 -8.566 1.00 . A A . 15 ALA CA 1 1 8 1774 1 1 15 ALA CB C 7.709 -4.124 -8.939 1.00 . A A . 15 ALA CB 1 1 8 1775 1 1 15 ALA H H 6.174 -2.282 -7.731 1.00 . A A . 15 ALA H 1 1 8 1776 1 1 15 ALA HA H 9.057 -2.706 -8.117 1.00 . A A . 15 ALA HA 1 1 8 1777 1 1 15 ALA HB1 H 7.153 -4.122 -9.865 1.00 . A A . 15 ALA HB1 1 1 8 1778 1 1 15 ALA HB2 H 7.105 -4.559 -8.156 1.00 . A A . 15 ALA HB2 1 1 8 1779 1 1 15 ALA HB3 H 8.611 -4.705 -9.063 1.00 . A A . 15 ALA HB3 1 1 8 1780 1 1 15 ALA N N 7.136 -2.176 -7.578 1.00 . A A . 15 ALA N 1 1 8 1781 1 1 15 ALA O O 7.421 -0.793 -9.877 1.00 . A A . 15 ALA O 1 1 8 1782 1 1 16 ALA C C 8.503 -2.260 -13.214 1.00 . A A . 16 ALA C 1 1 8 1783 1 1 16 ALA CA C 9.033 -1.458 -12.032 1.00 . A A . 16 ALA CA 1 1 8 1784 1 1 16 ALA CB C 10.483 -1.063 -12.266 1.00 . A A . 16 ALA CB 1 1 8 1785 1 1 16 ALA H H 9.430 -3.036 -10.677 1.00 . A A . 16 ALA H 1 1 8 1786 1 1 16 ALA HA H 8.449 -0.554 -11.932 1.00 . A A . 16 ALA HA 1 1 8 1787 1 1 16 ALA HB1 H 10.521 -0.068 -12.684 1.00 . A A . 16 ALA HB1 1 1 8 1788 1 1 16 ALA HB2 H 10.939 -1.760 -12.954 1.00 . A A . 16 ALA HB2 1 1 8 1789 1 1 16 ALA HB3 H 11.017 -1.081 -11.328 1.00 . A A . 16 ALA HB3 1 1 8 1790 1 1 16 ALA N N 8.909 -2.212 -10.790 1.00 . A A . 16 ALA N 1 1 8 1791 1 1 16 ALA O O 8.054 -3.406 -13.000 1.00 . A A . 16 ALA O 1 1 8 1792 1 1 16 ALA OXT O 8.541 -1.736 -14.349 1.00 . A A . 16 ALA OXT 1 1 9 1793 1 1 1 GLY C C -6.950 -0.645 1.390 1.00 . A A . 1 GLY C 1 1 9 1794 1 1 1 GLY CA C -6.522 -1.860 0.592 1.00 . A A . 1 GLY CA 1 1 9 1795 1 1 1 GLY H1 H -7.224 -3.151 2.077 1.00 . A A . 1 GLY H1 1 1 9 1796 1 1 1 GLY H2 H -6.706 -3.941 0.672 1.00 . A A . 1 GLY H2 1 1 9 1797 1 1 1 GLY H3 H -8.186 -3.121 0.686 1.00 . A A . 1 GLY H3 1 1 9 1798 1 1 1 GLY HA2 H -5.456 -1.991 0.701 1.00 . A A . 1 GLY HA2 1 1 9 1799 1 1 1 GLY HA3 H -6.749 -1.692 -0.450 1.00 . A A . 1 GLY HA3 1 1 9 1800 1 1 1 GLY N N -7.207 -3.105 1.037 1.00 . A A . 1 GLY N 1 1 9 1801 1 1 1 GLY O O -6.191 0.314 1.527 1.00 . A A . 1 GLY O 1 1 9 1802 1 1 2 ALA C C -8.777 1.700 1.874 1.00 . A A . 2 ALA C 1 1 9 1803 1 1 2 ALA CA C -8.698 0.423 2.704 1.00 . A A . 2 ALA CA 1 1 9 1804 1 1 2 ALA CB C -7.842 0.647 3.940 1.00 . A A . 2 ALA CB 1 1 9 1805 1 1 2 ALA H H -8.729 -1.477 1.771 1.00 . A A . 2 ALA H 1 1 9 1806 1 1 2 ALA HA H -9.693 0.155 3.029 1.00 . A A . 2 ALA HA 1 1 9 1807 1 1 2 ALA HB1 H -7.829 1.698 4.185 1.00 . A A . 2 ALA HB1 1 1 9 1808 1 1 2 ALA HB2 H -6.834 0.310 3.746 1.00 . A A . 2 ALA HB2 1 1 9 1809 1 1 2 ALA HB3 H -8.253 0.090 4.770 1.00 . A A . 2 ALA HB3 1 1 9 1810 1 1 2 ALA N N -8.170 -0.684 1.917 1.00 . A A . 2 ALA N 1 1 9 1811 1 1 2 ALA O O -8.656 2.804 2.404 1.00 . A A . 2 ALA O 1 1 9 1812 1 1 3 ALA C C -9.401 2.232 -1.753 1.00 . A A . 3 ALA C 1 1 9 1813 1 1 3 ALA CA C -9.074 2.683 -0.332 1.00 . A A . 3 ALA CA 1 1 9 1814 1 1 3 ALA CB C -7.777 3.477 -0.316 1.00 . A A . 3 ALA CB 1 1 9 1815 1 1 3 ALA H H -9.068 0.636 0.206 1.00 . A A . 3 ALA H 1 1 9 1816 1 1 3 ALA HA H -9.867 3.324 0.023 1.00 . A A . 3 ALA HA 1 1 9 1817 1 1 3 ALA HB1 H -7.768 4.134 0.542 1.00 . A A . 3 ALA HB1 1 1 9 1818 1 1 3 ALA HB2 H -7.703 4.066 -1.219 1.00 . A A . 3 ALA HB2 1 1 9 1819 1 1 3 ALA HB3 H -6.938 2.799 -0.259 1.00 . A A . 3 ALA HB3 1 1 9 1820 1 1 3 ALA N N -8.979 1.541 0.571 1.00 . A A . 3 ALA N 1 1 9 1821 1 1 3 ALA O O -10.513 2.442 -2.239 1.00 . A A . 3 ALA O 1 1 9 1822 1 1 4 ILE C C -8.493 -0.387 -3.847 1.00 . A A . 4 ILE C 1 1 9 1823 1 1 4 ILE CA C -8.609 1.136 -3.775 1.00 . A A . 4 ILE CA 1 1 9 1824 1 1 4 ILE CB C -7.576 1.772 -4.730 1.00 . A A . 4 ILE CB 1 1 9 1825 1 1 4 ILE CD1 C -6.816 1.876 -7.159 1.00 . A A . 4 ILE CD1 1 1 9 1826 1 1 4 ILE CG1 C -7.774 1.262 -6.160 1.00 . A A . 4 ILE CG1 1 1 9 1827 1 1 4 ILE CG2 C -6.159 1.479 -4.251 1.00 . A A . 4 ILE CG2 1 1 9 1828 1 1 4 ILE H H -7.563 1.479 -1.970 1.00 . A A . 4 ILE H 1 1 9 1829 1 1 4 ILE HA H -9.596 1.428 -4.102 1.00 . A A . 4 ILE HA 1 1 9 1830 1 1 4 ILE HB H -7.718 2.841 -4.715 1.00 . A A . 4 ILE HB 1 1 9 1831 1 1 4 ILE HD11 H -6.640 1.179 -7.963 1.00 . A A . 4 ILE HD11 1 1 9 1832 1 1 4 ILE HD12 H -5.881 2.102 -6.667 1.00 . A A . 4 ILE HD12 1 1 9 1833 1 1 4 ILE HD13 H -7.244 2.785 -7.555 1.00 . A A . 4 ILE HD13 1 1 9 1834 1 1 4 ILE HG12 H -7.626 0.193 -6.178 1.00 . A A . 4 ILE HG12 1 1 9 1835 1 1 4 ILE HG13 H -8.780 1.490 -6.480 1.00 . A A . 4 ILE HG13 1 1 9 1836 1 1 4 ILE HG21 H -6.197 0.947 -3.311 1.00 . A A . 4 ILE HG21 1 1 9 1837 1 1 4 ILE HG22 H -5.626 2.409 -4.116 1.00 . A A . 4 ILE HG22 1 1 9 1838 1 1 4 ILE HG23 H -5.646 0.875 -4.985 1.00 . A A . 4 ILE HG23 1 1 9 1839 1 1 4 ILE N N -8.427 1.615 -2.411 1.00 . A A . 4 ILE N 1 1 9 1840 1 1 4 ILE O O -8.876 -1.000 -4.843 1.00 . A A . 4 ILE O 1 1 9 1841 1 1 5 GLY C C -6.386 -2.856 -3.116 1.00 . A A . 5 GLY C 1 1 9 1842 1 1 5 GLY CA C -7.798 -2.430 -2.764 1.00 . A A . 5 GLY CA 1 1 9 1843 1 1 5 GLY H H -7.666 -0.454 -2.025 1.00 . A A . 5 GLY H 1 1 9 1844 1 1 5 GLY HA2 H -8.038 -2.792 -1.775 1.00 . A A . 5 GLY HA2 1 1 9 1845 1 1 5 GLY HA3 H -8.483 -2.872 -3.472 1.00 . A A . 5 GLY HA3 1 1 9 1846 1 1 5 GLY N N -7.959 -0.990 -2.789 1.00 . A A . 5 GLY N 1 1 9 1847 1 1 5 GLY O O -6.025 -4.023 -2.956 1.00 . A A . 5 GLY O 1 1 9 1848 1 1 6 LEU C C -3.240 -1.236 -3.262 1.00 . A A . 6 LEU C 1 1 9 1849 1 1 6 LEU CA C -4.203 -2.189 -3.967 1.00 . A A . 6 LEU CA 1 1 9 1850 1 1 6 LEU CB C -4.019 -2.081 -5.484 1.00 . A A . 6 LEU CB 1 1 9 1851 1 1 6 LEU CD1 C -6.330 -2.829 -6.134 1.00 . A A . 6 LEU CD1 1 1 9 1852 1 1 6 LEU CD2 C -4.458 -2.959 -7.789 1.00 . A A . 6 LEU CD2 1 1 9 1853 1 1 6 LEU CG C -4.839 -3.068 -6.320 1.00 . A A . 6 LEU CG 1 1 9 1854 1 1 6 LEU H H -5.929 -0.995 -3.696 1.00 . A A . 6 LEU H 1 1 9 1855 1 1 6 LEU HA H -3.977 -3.199 -3.659 1.00 . A A . 6 LEU HA 1 1 9 1856 1 1 6 LEU HB2 H -4.288 -1.078 -5.785 1.00 . A A . 6 LEU HB2 1 1 9 1857 1 1 6 LEU HB3 H -2.975 -2.237 -5.708 1.00 . A A . 6 LEU HB3 1 1 9 1858 1 1 6 LEU HD11 H -6.829 -2.910 -7.089 1.00 . A A . 6 LEU HD11 1 1 9 1859 1 1 6 LEU HD12 H -6.490 -1.841 -5.728 1.00 . A A . 6 LEU HD12 1 1 9 1860 1 1 6 LEU HD13 H -6.731 -3.568 -5.456 1.00 . A A . 6 LEU HD13 1 1 9 1861 1 1 6 LEU HD21 H -3.462 -2.551 -7.874 1.00 . A A . 6 LEU HD21 1 1 9 1862 1 1 6 LEU HD22 H -5.158 -2.311 -8.295 1.00 . A A . 6 LEU HD22 1 1 9 1863 1 1 6 LEU HD23 H -4.485 -3.941 -8.242 1.00 . A A . 6 LEU HD23 1 1 9 1864 1 1 6 LEU HG H -4.621 -4.073 -5.993 1.00 . A A . 6 LEU HG 1 1 9 1865 1 1 6 LEU N N -5.584 -1.909 -3.594 1.00 . A A . 6 LEU N 1 1 9 1866 1 1 6 LEU O O -2.076 -1.120 -3.647 1.00 . A A . 6 LEU O 1 1 9 1867 1 1 7 ALA C C -2.299 -0.272 -0.244 1.00 . A A . 7 ALA C 1 1 9 1868 1 1 7 ALA CA C -2.908 0.387 -1.478 1.00 . A A . 7 ALA CA 1 1 9 1869 1 1 7 ALA CB C -3.729 1.598 -1.074 1.00 . A A . 7 ALA CB 1 1 9 1870 1 1 7 ALA H H -4.664 -0.686 -1.967 1.00 . A A . 7 ALA H 1 1 9 1871 1 1 7 ALA HA H -2.108 0.722 -2.123 1.00 . A A . 7 ALA HA 1 1 9 1872 1 1 7 ALA HB1 H -3.294 2.050 -0.196 1.00 . A A . 7 ALA HB1 1 1 9 1873 1 1 7 ALA HB2 H -4.741 1.289 -0.857 1.00 . A A . 7 ALA HB2 1 1 9 1874 1 1 7 ALA HB3 H -3.736 2.312 -1.883 1.00 . A A . 7 ALA HB3 1 1 9 1875 1 1 7 ALA N N -3.728 -0.553 -2.229 1.00 . A A . 7 ALA N 1 1 9 1876 1 1 7 ALA O O -2.247 0.323 0.831 1.00 . A A . 7 ALA O 1 1 9 1877 1 1 8 TRP C C 0.158 -2.738 0.274 1.00 . A A . 8 TRP C 1 1 9 1878 1 1 8 TRP CA C -1.228 -2.256 0.678 1.00 . A A . 8 TRP CA 1 1 9 1879 1 1 8 TRP CB C -2.081 -3.470 1.033 1.00 . A A . 8 TRP CB 1 1 9 1880 1 1 8 TRP CD1 C -3.199 -4.239 -1.142 1.00 . A A . 8 TRP CD1 1 1 9 1881 1 1 8 TRP CD2 C -1.504 -5.532 -0.464 1.00 . A A . 8 TRP CD2 1 1 9 1882 1 1 8 TRP CE2 C -2.022 -6.064 -1.659 1.00 . A A . 8 TRP CE2 1 1 9 1883 1 1 8 TRP CE3 C -0.422 -6.172 0.147 1.00 . A A . 8 TRP CE3 1 1 9 1884 1 1 8 TRP CG C -2.287 -4.381 -0.136 1.00 . A A . 8 TRP CG 1 1 9 1885 1 1 8 TRP CH2 C -0.431 -7.809 -1.640 1.00 . A A . 8 TRP CH2 1 1 9 1886 1 1 8 TRP CZ2 C -1.493 -7.206 -2.256 1.00 . A A . 8 TRP CZ2 1 1 9 1887 1 1 8 TRP CZ3 C 0.105 -7.301 -0.449 1.00 . A A . 8 TRP CZ3 1 1 9 1888 1 1 8 TRP H H -1.908 -1.922 -1.300 1.00 . A A . 8 TRP H 1 1 9 1889 1 1 8 TRP HA H -1.146 -1.607 1.537 1.00 . A A . 8 TRP HA 1 1 9 1890 1 1 8 TRP HB2 H -1.593 -4.032 1.818 1.00 . A A . 8 TRP HB2 1 1 9 1891 1 1 8 TRP HB3 H -3.052 -3.137 1.376 1.00 . A A . 8 TRP HB3 1 1 9 1892 1 1 8 TRP HD1 H -3.936 -3.450 -1.188 1.00 . A A . 8 TRP HD1 1 1 9 1893 1 1 8 TRP HE1 H -3.614 -5.390 -2.849 1.00 . A A . 8 TRP HE1 1 1 9 1894 1 1 8 TRP HE3 H 0.004 -5.797 1.065 1.00 . A A . 8 TRP HE3 1 1 9 1895 1 1 8 TRP HH2 H 0.014 -8.692 -2.071 1.00 . A A . 8 TRP HH2 1 1 9 1896 1 1 8 TRP HZ2 H -1.894 -7.608 -3.175 1.00 . A A . 8 TRP HZ2 1 1 9 1897 1 1 8 TRP HZ3 H 0.947 -7.805 0.005 1.00 . A A . 8 TRP HZ3 1 1 9 1898 1 1 8 TRP N N -1.840 -1.505 -0.414 1.00 . A A . 8 TRP N 1 1 9 1899 1 1 8 TRP NE1 N -3.063 -5.262 -2.049 1.00 . A A . 8 TRP NE1 1 1 9 1900 1 1 8 TRP O O 1.071 -2.820 1.095 1.00 . A A . 8 TRP O 1 1 9 1901 1 1 9 ILE C C 2.701 -2.592 -1.370 1.00 . A A . 9 ILE C 1 1 9 1902 1 1 9 ILE CA C 1.538 -3.575 -1.548 1.00 . A A . 9 ILE CA 1 1 9 1903 1 1 9 ILE CB C 1.393 -3.933 -3.038 1.00 . A A . 9 ILE CB 1 1 9 1904 1 1 9 ILE CD1 C 2.665 -4.783 -5.062 1.00 . A A . 9 ILE CD1 1 1 9 1905 1 1 9 ILE CG1 C 2.707 -4.494 -3.580 1.00 . A A . 9 ILE CG1 1 1 9 1906 1 1 9 ILE CG2 C 0.949 -2.721 -3.843 1.00 . A A . 9 ILE CG2 1 1 9 1907 1 1 9 ILE H H -0.488 -2.994 -1.596 1.00 . A A . 9 ILE H 1 1 9 1908 1 1 9 ILE HA H 1.779 -4.483 -1.017 1.00 . A A . 9 ILE HA 1 1 9 1909 1 1 9 ILE HB H 0.627 -4.689 -3.127 1.00 . A A . 9 ILE HB 1 1 9 1910 1 1 9 ILE HD11 H 2.792 -5.842 -5.227 1.00 . A A . 9 ILE HD11 1 1 9 1911 1 1 9 ILE HD12 H 3.457 -4.242 -5.558 1.00 . A A . 9 ILE HD12 1 1 9 1912 1 1 9 ILE HD13 H 1.709 -4.468 -5.459 1.00 . A A . 9 ILE HD13 1 1 9 1913 1 1 9 ILE HG12 H 3.500 -3.783 -3.395 1.00 . A A . 9 ILE HG12 1 1 9 1914 1 1 9 ILE HG13 H 2.933 -5.418 -3.067 1.00 . A A . 9 ILE HG13 1 1 9 1915 1 1 9 ILE HG21 H 0.109 -2.252 -3.352 1.00 . A A . 9 ILE HG21 1 1 9 1916 1 1 9 ILE HG22 H 0.656 -3.037 -4.833 1.00 . A A . 9 ILE HG22 1 1 9 1917 1 1 9 ILE HG23 H 1.763 -2.017 -3.915 1.00 . A A . 9 ILE HG23 1 1 9 1918 1 1 9 ILE N N 0.288 -3.075 -1.003 1.00 . A A . 9 ILE N 1 1 9 1919 1 1 9 ILE O O 3.819 -3.023 -1.095 1.00 . A A . 9 ILE O 1 1 9 1920 1 1 10 PRO C C 4.476 -0.605 -0.194 1.00 . A A . 10 PRO C 1 1 9 1921 1 1 10 PRO CA C 3.549 -0.268 -1.357 1.00 . A A . 10 PRO CA 1 1 9 1922 1 1 10 PRO CB C 2.791 1.044 -1.087 1.00 . A A . 10 PRO CB 1 1 9 1923 1 1 10 PRO CD C 1.216 -0.601 -1.845 1.00 . A A . 10 PRO CD 1 1 9 1924 1 1 10 PRO CG C 1.336 0.687 -1.085 1.00 . A A . 10 PRO CG 1 1 9 1925 1 1 10 PRO HA H 4.132 -0.170 -2.262 1.00 . A A . 10 PRO HA 1 1 9 1926 1 1 10 PRO HB2 H 3.096 1.447 -0.133 1.00 . A A . 10 PRO HB2 1 1 9 1927 1 1 10 PRO HB3 H 3.017 1.755 -1.867 1.00 . A A . 10 PRO HB3 1 1 9 1928 1 1 10 PRO HD2 H 0.368 -1.165 -1.497 1.00 . A A . 10 PRO HD2 1 1 9 1929 1 1 10 PRO HD3 H 1.141 -0.411 -2.907 1.00 . A A . 10 PRO HD3 1 1 9 1930 1 1 10 PRO HG2 H 0.996 0.552 -0.069 1.00 . A A . 10 PRO HG2 1 1 9 1931 1 1 10 PRO HG3 H 0.766 1.465 -1.572 1.00 . A A . 10 PRO HG3 1 1 9 1932 1 1 10 PRO N N 2.482 -1.261 -1.518 1.00 . A A . 10 PRO N 1 1 9 1933 1 1 10 PRO O O 5.664 -0.282 -0.217 1.00 . A A . 10 PRO O 1 1 9 1934 1 1 11 TYR C C 5.946 -2.441 1.566 1.00 . A A . 11 TYR C 1 1 9 1935 1 1 11 TYR CA C 4.693 -1.680 1.983 1.00 . A A . 11 TYR CA 1 1 9 1936 1 1 11 TYR CB C 3.833 -2.561 2.891 1.00 . A A . 11 TYR CB 1 1 9 1937 1 1 11 TYR CD1 C 2.323 -0.538 3.161 1.00 . A A . 11 TYR CD1 1 1 9 1938 1 1 11 TYR CD2 C 1.724 -2.557 4.281 1.00 . A A . 11 TYR CD2 1 1 9 1939 1 1 11 TYR CE1 C 1.203 0.084 3.679 1.00 . A A . 11 TYR CE1 1 1 9 1940 1 1 11 TYR CE2 C 0.602 -1.941 4.801 1.00 . A A . 11 TYR CE2 1 1 9 1941 1 1 11 TYR CG C 2.604 -1.870 3.452 1.00 . A A . 11 TYR CG 1 1 9 1942 1 1 11 TYR CZ C 0.346 -0.620 4.497 1.00 . A A . 11 TYR CZ 1 1 9 1943 1 1 11 TYR H H 2.975 -1.510 0.765 1.00 . A A . 11 TYR H 1 1 9 1944 1 1 11 TYR HA H 4.982 -0.791 2.521 1.00 . A A . 11 TYR HA 1 1 9 1945 1 1 11 TYR HB2 H 3.496 -3.417 2.324 1.00 . A A . 11 TYR HB2 1 1 9 1946 1 1 11 TYR HB3 H 4.434 -2.901 3.722 1.00 . A A . 11 TYR HB3 1 1 9 1947 1 1 11 TYR HD1 H 2.994 0.013 2.520 1.00 . A A . 11 TYR HD1 1 1 9 1948 1 1 11 TYR HD2 H 1.927 -3.591 4.519 1.00 . A A . 11 TYR HD2 1 1 9 1949 1 1 11 TYR HE1 H 1.001 1.118 3.439 1.00 . A A . 11 TYR HE1 1 1 9 1950 1 1 11 TYR HE2 H -0.067 -2.492 5.444 1.00 . A A . 11 TYR HE2 1 1 9 1951 1 1 11 TYR HH H -1.507 -0.618 5.007 1.00 . A A . 11 TYR HH 1 1 9 1952 1 1 11 TYR N N 3.923 -1.275 0.814 1.00 . A A . 11 TYR N 1 1 9 1953 1 1 11 TYR O O 7.002 -2.309 2.185 1.00 . A A . 11 TYR O 1 1 9 1954 1 1 11 TYR OH O -0.770 -0.003 5.014 1.00 . A A . 11 TYR OH 1 1 9 1955 1 1 12 PHE C C 7.837 -3.163 -0.890 1.00 . A A . 12 PHE C 1 1 9 1956 1 1 12 PHE CA C 6.942 -4.018 0.000 1.00 . A A . 12 PHE CA 1 1 9 1957 1 1 12 PHE CB C 6.443 -5.238 -0.781 1.00 . A A . 12 PHE CB 1 1 9 1958 1 1 12 PHE CD1 C 4.401 -5.816 0.568 1.00 . A A . 12 PHE CD1 1 1 9 1959 1 1 12 PHE CD2 C 6.085 -7.481 0.282 1.00 . A A . 12 PHE CD2 1 1 9 1960 1 1 12 PHE CE1 C 3.654 -6.698 1.324 1.00 . A A . 12 PHE CE1 1 1 9 1961 1 1 12 PHE CE2 C 5.341 -8.367 1.038 1.00 . A A . 12 PHE CE2 1 1 9 1962 1 1 12 PHE CG C 5.625 -6.197 0.038 1.00 . A A . 12 PHE CG 1 1 9 1963 1 1 12 PHE CZ C 4.124 -7.976 1.559 1.00 . A A . 12 PHE CZ 1 1 9 1964 1 1 12 PHE H H 4.952 -3.295 0.055 1.00 . A A . 12 PHE H 1 1 9 1965 1 1 12 PHE HA H 7.518 -4.357 0.849 1.00 . A A . 12 PHE HA 1 1 9 1966 1 1 12 PHE HB2 H 5.829 -4.899 -1.606 1.00 . A A . 12 PHE HB2 1 1 9 1967 1 1 12 PHE HB3 H 7.298 -5.777 -1.171 1.00 . A A . 12 PHE HB3 1 1 9 1968 1 1 12 PHE HD1 H 4.030 -4.820 0.384 1.00 . A A . 12 PHE HD1 1 1 9 1969 1 1 12 PHE HD2 H 7.036 -7.789 -0.126 1.00 . A A . 12 PHE HD2 1 1 9 1970 1 1 12 PHE HE1 H 2.703 -6.388 1.733 1.00 . A A . 12 PHE HE1 1 1 9 1971 1 1 12 PHE HE2 H 5.710 -9.365 1.220 1.00 . A A . 12 PHE HE2 1 1 9 1972 1 1 12 PHE HZ H 3.541 -8.666 2.150 1.00 . A A . 12 PHE HZ 1 1 9 1973 1 1 12 PHE N N 5.821 -3.236 0.508 1.00 . A A . 12 PHE N 1 1 9 1974 1 1 12 PHE O O 9.055 -3.343 -0.919 1.00 . A A . 12 PHE O 1 1 9 1975 1 1 13 GLY C C 8.157 -1.955 -3.887 1.00 . A A . 13 GLY C 1 1 9 1976 1 1 13 GLY CA C 7.982 -1.366 -2.499 1.00 . A A . 13 GLY CA 1 1 9 1977 1 1 13 GLY H H 6.253 -2.136 -1.554 1.00 . A A . 13 GLY H 1 1 9 1978 1 1 13 GLY HA2 H 7.465 -0.420 -2.584 1.00 . A A . 13 GLY HA2 1 1 9 1979 1 1 13 GLY HA3 H 8.957 -1.192 -2.068 1.00 . A A . 13 GLY HA3 1 1 9 1980 1 1 13 GLY N N 7.225 -2.233 -1.616 1.00 . A A . 13 GLY N 1 1 9 1981 1 1 13 GLY O O 9.217 -2.493 -4.204 1.00 . A A . 13 GLY O 1 1 9 1982 1 1 14 PRO C C 8.110 -1.601 -7.007 1.00 . A A . 14 PRO C 1 1 9 1983 1 1 14 PRO CA C 7.180 -2.407 -6.105 1.00 . A A . 14 PRO CA 1 1 9 1984 1 1 14 PRO CB C 5.734 -2.295 -6.593 1.00 . A A . 14 PRO CB 1 1 9 1985 1 1 14 PRO CD C 5.820 -1.247 -4.446 1.00 . A A . 14 PRO CD 1 1 9 1986 1 1 14 PRO CG C 5.151 -1.183 -5.792 1.00 . A A . 14 PRO CG 1 1 9 1987 1 1 14 PRO HA H 7.487 -3.443 -6.110 1.00 . A A . 14 PRO HA 1 1 9 1988 1 1 14 PRO HB2 H 5.725 -2.069 -7.651 1.00 . A A . 14 PRO HB2 1 1 9 1989 1 1 14 PRO HB3 H 5.217 -3.226 -6.410 1.00 . A A . 14 PRO HB3 1 1 9 1990 1 1 14 PRO HD2 H 5.950 -0.252 -4.044 1.00 . A A . 14 PRO HD2 1 1 9 1991 1 1 14 PRO HD3 H 5.245 -1.858 -3.767 1.00 . A A . 14 PRO HD3 1 1 9 1992 1 1 14 PRO HG2 H 5.358 -0.238 -6.271 1.00 . A A . 14 PRO HG2 1 1 9 1993 1 1 14 PRO HG3 H 4.085 -1.326 -5.687 1.00 . A A . 14 PRO HG3 1 1 9 1994 1 1 14 PRO N N 7.124 -1.870 -4.742 1.00 . A A . 14 PRO N 1 1 9 1995 1 1 14 PRO O O 8.403 -0.437 -6.730 1.00 . A A . 14 PRO O 1 1 9 1996 1 1 15 ALA C C 8.758 -1.281 -10.349 1.00 . A A . 15 ALA C 1 1 9 1997 1 1 15 ALA CA C 9.465 -1.568 -9.028 1.00 . A A . 15 ALA CA 1 1 9 1998 1 1 15 ALA CB C 10.702 -2.421 -9.264 1.00 . A A . 15 ALA CB 1 1 9 1999 1 1 15 ALA H H 8.299 -3.153 -8.252 1.00 . A A . 15 ALA H 1 1 9 2000 1 1 15 ALA HA H 9.780 -0.632 -8.590 1.00 . A A . 15 ALA HA 1 1 9 2001 1 1 15 ALA HB1 H 11.553 -1.780 -9.441 1.00 . A A . 15 ALA HB1 1 1 9 2002 1 1 15 ALA HB2 H 10.543 -3.054 -10.125 1.00 . A A . 15 ALA HB2 1 1 9 2003 1 1 15 ALA HB3 H 10.888 -3.034 -8.396 1.00 . A A . 15 ALA HB3 1 1 9 2004 1 1 15 ALA N N 8.569 -2.227 -8.086 1.00 . A A . 15 ALA N 1 1 9 2005 1 1 15 ALA O O 7.911 -2.056 -10.792 1.00 . A A . 15 ALA O 1 1 9 2006 1 1 16 ALA C C 9.497 0.051 -13.393 1.00 . A A . 16 ALA C 1 1 9 2007 1 1 16 ALA CA C 8.512 0.227 -12.243 1.00 . A A . 16 ALA CA 1 1 9 2008 1 1 16 ALA CB C 8.026 1.668 -12.177 1.00 . A A . 16 ALA CB 1 1 9 2009 1 1 16 ALA H H 9.794 0.416 -10.569 1.00 . A A . 16 ALA H 1 1 9 2010 1 1 16 ALA HA H 7.655 -0.408 -12.415 1.00 . A A . 16 ALA HA 1 1 9 2011 1 1 16 ALA HB1 H 7.209 1.740 -11.475 1.00 . A A . 16 ALA HB1 1 1 9 2012 1 1 16 ALA HB2 H 7.689 1.978 -13.155 1.00 . A A . 16 ALA HB2 1 1 9 2013 1 1 16 ALA HB3 H 8.835 2.306 -11.855 1.00 . A A . 16 ALA HB3 1 1 9 2014 1 1 16 ALA N N 9.112 -0.162 -10.973 1.00 . A A . 16 ALA N 1 1 9 2015 1 1 16 ALA O O 9.164 -0.677 -14.351 1.00 . A A . 16 ALA O 1 1 9 2016 1 1 16 ALA OXT O 10.594 0.644 -13.327 1.00 . A A . 16 ALA OXT 1 1 10 2017 1 1 1 GLY C C -11.923 -2.192 -0.176 1.00 . A A . 1 GLY C 1 1 10 2018 1 1 1 GLY CA C -11.236 -3.326 -0.910 1.00 . A A . 1 GLY CA 1 1 10 2019 1 1 1 GLY H1 H -11.120 -5.410 -0.819 1.00 . A A . 1 GLY H1 1 1 10 2020 1 1 1 GLY H2 H -12.693 -4.819 -1.010 1.00 . A A . 1 GLY H2 1 1 10 2021 1 1 1 GLY H3 H -11.927 -4.710 0.493 1.00 . A A . 1 GLY H3 1 1 10 2022 1 1 1 GLY HA2 H -10.182 -3.304 -0.680 1.00 . A A . 1 GLY HA2 1 1 10 2023 1 1 1 GLY HA3 H -11.364 -3.182 -1.973 1.00 . A A . 1 GLY HA3 1 1 10 2024 1 1 1 GLY N N -11.782 -4.661 -0.536 1.00 . A A . 1 GLY N 1 1 10 2025 1 1 1 GLY O O -13.142 -2.042 -0.253 1.00 . A A . 1 GLY O 1 1 10 2026 1 1 2 ALA C C -11.037 1.047 0.853 1.00 . A A . 2 ALA C 1 1 10 2027 1 1 2 ALA CA C -11.679 -0.266 1.290 1.00 . A A . 2 ALA CA 1 1 10 2028 1 1 2 ALA CB C -11.477 -0.483 2.783 1.00 . A A . 2 ALA CB 1 1 10 2029 1 1 2 ALA H H -10.174 -1.563 0.562 1.00 . A A . 2 ALA H 1 1 10 2030 1 1 2 ALA HA H -12.743 -0.216 1.099 1.00 . A A . 2 ALA HA 1 1 10 2031 1 1 2 ALA HB1 H -11.776 -1.487 3.044 1.00 . A A . 2 ALA HB1 1 1 10 2032 1 1 2 ALA HB2 H -12.078 0.226 3.334 1.00 . A A . 2 ALA HB2 1 1 10 2033 1 1 2 ALA HB3 H -10.436 -0.341 3.029 1.00 . A A . 2 ALA HB3 1 1 10 2034 1 1 2 ALA N N -11.138 -1.391 0.539 1.00 . A A . 2 ALA N 1 1 10 2035 1 1 2 ALA O O -11.721 2.058 0.691 1.00 . A A . 2 ALA O 1 1 10 2036 1 1 3 ALA C C -9.060 2.402 -1.265 1.00 . A A . 3 ALA C 1 1 10 2037 1 1 3 ALA CA C -8.992 2.216 0.249 1.00 . A A . 3 ALA CA 1 1 10 2038 1 1 3 ALA CB C -7.545 2.140 0.718 1.00 . A A . 3 ALA CB 1 1 10 2039 1 1 3 ALA H H -9.232 0.189 0.812 1.00 . A A . 3 ALA H 1 1 10 2040 1 1 3 ALA HA H -9.453 3.070 0.724 1.00 . A A . 3 ALA HA 1 1 10 2041 1 1 3 ALA HB1 H -7.484 2.453 1.750 1.00 . A A . 3 ALA HB1 1 1 10 2042 1 1 3 ALA HB2 H -6.934 2.790 0.107 1.00 . A A . 3 ALA HB2 1 1 10 2043 1 1 3 ALA HB3 H -7.191 1.124 0.627 1.00 . A A . 3 ALA HB3 1 1 10 2044 1 1 3 ALA N N -9.722 1.025 0.665 1.00 . A A . 3 ALA N 1 1 10 2045 1 1 3 ALA O O -9.899 3.149 -1.769 1.00 . A A . 3 ALA O 1 1 10 2046 1 1 4 ILE C C -8.191 0.452 -4.107 1.00 . A A . 4 ILE C 1 1 10 2047 1 1 4 ILE CA C -8.136 1.827 -3.443 1.00 . A A . 4 ILE CA 1 1 10 2048 1 1 4 ILE CB C -6.869 2.570 -3.918 1.00 . A A . 4 ILE CB 1 1 10 2049 1 1 4 ILE CD1 C -5.661 3.451 -5.981 1.00 . A A . 4 ILE CD1 1 1 10 2050 1 1 4 ILE CG1 C -6.868 2.713 -5.443 1.00 . A A . 4 ILE CG1 1 1 10 2051 1 1 4 ILE CG2 C -5.618 1.840 -3.453 1.00 . A A . 4 ILE CG2 1 1 10 2052 1 1 4 ILE H H -7.522 1.150 -1.532 1.00 . A A . 4 ILE H 1 1 10 2053 1 1 4 ILE HA H -8.997 2.397 -3.754 1.00 . A A . 4 ILE HA 1 1 10 2054 1 1 4 ILE HB H -6.868 3.554 -3.472 1.00 . A A . 4 ILE HB 1 1 10 2055 1 1 4 ILE HD11 H -5.240 4.066 -5.200 1.00 . A A . 4 ILE HD11 1 1 10 2056 1 1 4 ILE HD12 H -5.960 4.075 -6.810 1.00 . A A . 4 ILE HD12 1 1 10 2057 1 1 4 ILE HD13 H -4.923 2.737 -6.317 1.00 . A A . 4 ILE HD13 1 1 10 2058 1 1 4 ILE HG12 H -6.881 1.732 -5.891 1.00 . A A . 4 ILE HG12 1 1 10 2059 1 1 4 ILE HG13 H -7.753 3.254 -5.748 1.00 . A A . 4 ILE HG13 1 1 10 2060 1 1 4 ILE HG21 H -5.854 1.236 -2.589 1.00 . A A . 4 ILE HG21 1 1 10 2061 1 1 4 ILE HG22 H -4.858 2.561 -3.190 1.00 . A A . 4 ILE HG22 1 1 10 2062 1 1 4 ILE HG23 H -5.255 1.206 -4.248 1.00 . A A . 4 ILE HG23 1 1 10 2063 1 1 4 ILE N N -8.171 1.726 -1.988 1.00 . A A . 4 ILE N 1 1 10 2064 1 1 4 ILE O O -8.496 0.340 -5.295 1.00 . A A . 4 ILE O 1 1 10 2065 1 1 5 GLY C C -6.527 -2.525 -4.046 1.00 . A A . 5 GLY C 1 1 10 2066 1 1 5 GLY CA C -7.918 -1.939 -3.882 1.00 . A A . 5 GLY CA 1 1 10 2067 1 1 5 GLY H H -7.657 -0.450 -2.402 1.00 . A A . 5 GLY H 1 1 10 2068 1 1 5 GLY HA2 H -8.485 -2.573 -3.217 1.00 . A A . 5 GLY HA2 1 1 10 2069 1 1 5 GLY HA3 H -8.403 -1.919 -4.846 1.00 . A A . 5 GLY HA3 1 1 10 2070 1 1 5 GLY N N -7.895 -0.593 -3.341 1.00 . A A . 5 GLY N 1 1 10 2071 1 1 5 GLY O O -6.377 -3.719 -4.307 1.00 . A A . 5 GLY O 1 1 10 2072 1 1 6 LEU C C -3.187 -1.215 -3.244 1.00 . A A . 6 LEU C 1 1 10 2073 1 1 6 LEU CA C -4.123 -2.131 -4.029 1.00 . A A . 6 LEU CA 1 1 10 2074 1 1 6 LEU CB C -3.723 -2.166 -5.508 1.00 . A A . 6 LEU CB 1 1 10 2075 1 1 6 LEU CD1 C -2.185 -4.134 -5.268 1.00 . A A . 6 LEU CD1 1 1 10 2076 1 1 6 LEU CD2 C -2.041 -2.678 -7.293 1.00 . A A . 6 LEU CD2 1 1 10 2077 1 1 6 LEU CG C -2.323 -2.715 -5.799 1.00 . A A . 6 LEU CG 1 1 10 2078 1 1 6 LEU H H -5.684 -0.745 -3.688 1.00 . A A . 6 LEU H 1 1 10 2079 1 1 6 LEU HA H -4.056 -3.130 -3.622 1.00 . A A . 6 LEU HA 1 1 10 2080 1 1 6 LEU HB2 H -4.441 -2.775 -6.038 1.00 . A A . 6 LEU HB2 1 1 10 2081 1 1 6 LEU HB3 H -3.777 -1.160 -5.896 1.00 . A A . 6 LEU HB3 1 1 10 2082 1 1 6 LEU HD11 H -1.230 -4.538 -5.567 1.00 . A A . 6 LEU HD11 1 1 10 2083 1 1 6 LEU HD12 H -2.978 -4.746 -5.668 1.00 . A A . 6 LEU HD12 1 1 10 2084 1 1 6 LEU HD13 H -2.250 -4.121 -4.190 1.00 . A A . 6 LEU HD13 1 1 10 2085 1 1 6 LEU HD21 H -2.653 -1.919 -7.757 1.00 . A A . 6 LEU HD21 1 1 10 2086 1 1 6 LEU HD22 H -2.272 -3.639 -7.727 1.00 . A A . 6 LEU HD22 1 1 10 2087 1 1 6 LEU HD23 H -0.998 -2.450 -7.458 1.00 . A A . 6 LEU HD23 1 1 10 2088 1 1 6 LEU HG H -1.587 -2.101 -5.305 1.00 . A A . 6 LEU HG 1 1 10 2089 1 1 6 LEU N N -5.506 -1.686 -3.895 1.00 . A A . 6 LEU N 1 1 10 2090 1 1 6 LEU O O -2.028 -1.031 -3.607 1.00 . A A . 6 LEU O 1 1 10 2091 1 1 7 ALA C C -2.349 -0.471 -0.118 1.00 . A A . 7 ALA C 1 1 10 2092 1 1 7 ALA CA C -2.917 0.261 -1.327 1.00 . A A . 7 ALA CA 1 1 10 2093 1 1 7 ALA CB C -3.765 1.441 -0.880 1.00 . A A . 7 ALA CB 1 1 10 2094 1 1 7 ALA H H -4.637 -0.820 -1.922 1.00 . A A . 7 ALA H 1 1 10 2095 1 1 7 ALA HA H -2.101 0.641 -1.922 1.00 . A A . 7 ALA HA 1 1 10 2096 1 1 7 ALA HB1 H -3.686 2.234 -1.607 1.00 . A A . 7 ALA HB1 1 1 10 2097 1 1 7 ALA HB2 H -3.414 1.792 0.077 1.00 . A A . 7 ALA HB2 1 1 10 2098 1 1 7 ALA HB3 H -4.796 1.131 -0.796 1.00 . A A . 7 ALA HB3 1 1 10 2099 1 1 7 ALA N N -3.705 -0.637 -2.163 1.00 . A A . 7 ALA N 1 1 10 2100 1 1 7 ALA O O -2.377 0.037 1.002 1.00 . A A . 7 ALA O 1 1 10 2101 1 1 8 TRP C C 0.170 -2.903 0.336 1.00 . A A . 8 TRP C 1 1 10 2102 1 1 8 TRP CA C -1.243 -2.476 0.708 1.00 . A A . 8 TRP CA 1 1 10 2103 1 1 8 TRP CB C -2.084 -3.728 0.952 1.00 . A A . 8 TRP CB 1 1 10 2104 1 1 8 TRP CD1 C -3.049 -4.356 -1.338 1.00 . A A . 8 TRP CD1 1 1 10 2105 1 1 8 TRP CD2 C -1.451 -5.735 -0.597 1.00 . A A . 8 TRP CD2 1 1 10 2106 1 1 8 TRP CE2 C -1.889 -6.194 -1.852 1.00 . A A . 8 TRP CE2 1 1 10 2107 1 1 8 TRP CE3 C -0.440 -6.439 0.064 1.00 . A A . 8 TRP CE3 1 1 10 2108 1 1 8 TRP CG C -2.221 -4.574 -0.275 1.00 . A A . 8 TRP CG 1 1 10 2109 1 1 8 TRP CH2 C -0.359 -7.991 -1.795 1.00 . A A . 8 TRP CH2 1 1 10 2110 1 1 8 TRP CZ2 C -1.351 -7.324 -2.462 1.00 . A A . 8 TRP CZ2 1 1 10 2111 1 1 8 TRP CZ3 C 0.097 -7.558 -0.544 1.00 . A A . 8 TRP CZ3 1 1 10 2112 1 1 8 TRP H H -1.832 -2.017 -1.275 1.00 . A A . 8 TRP H 1 1 10 2113 1 1 8 TRP HA H -1.214 -1.884 1.609 1.00 . A A . 8 TRP HA 1 1 10 2114 1 1 8 TRP HB2 H -1.618 -4.325 1.724 1.00 . A A . 8 TRP HB2 1 1 10 2115 1 1 8 TRP HB3 H -3.076 -3.434 1.271 1.00 . A A . 8 TRP HB3 1 1 10 2116 1 1 8 TRP HD1 H -3.755 -3.542 -1.402 1.00 . A A . 8 TRP HD1 1 1 10 2117 1 1 8 TRP HE1 H -3.362 -5.413 -3.126 1.00 . A A . 8 TRP HE1 1 1 10 2118 1 1 8 TRP HE3 H -0.076 -6.121 1.029 1.00 . A A . 8 TRP HE3 1 1 10 2119 1 1 8 TRP HH2 H 0.089 -8.870 -2.233 1.00 . A A . 8 TRP HH2 1 1 10 2120 1 1 8 TRP HZ2 H -1.691 -7.671 -3.426 1.00 . A A . 8 TRP HZ2 1 1 10 2121 1 1 8 TRP HZ3 H 0.883 -8.110 -0.050 1.00 . A A . 8 TRP HZ3 1 1 10 2122 1 1 8 TRP N N -1.828 -1.668 -0.356 1.00 . A A . 8 TRP N 1 1 10 2123 1 1 8 TRP NE1 N -2.872 -5.339 -2.280 1.00 . A A . 8 TRP NE1 1 1 10 2124 1 1 8 TRP O O 1.036 -3.058 1.193 1.00 . A A . 8 TRP O 1 1 10 2125 1 1 9 ILE C C 2.758 -2.464 -1.356 1.00 . A A . 9 ILE C 1 1 10 2126 1 1 9 ILE CA C 1.668 -3.539 -1.467 1.00 . A A . 9 ILE CA 1 1 10 2127 1 1 9 ILE CB C 1.555 -3.979 -2.931 1.00 . A A . 9 ILE CB 1 1 10 2128 1 1 9 ILE CD1 C 2.910 -4.834 -4.896 1.00 . A A . 9 ILE CD1 1 1 10 2129 1 1 9 ILE CG1 C 2.896 -4.526 -3.416 1.00 . A A . 9 ILE CG1 1 1 10 2130 1 1 9 ILE CG2 C 1.091 -2.819 -3.802 1.00 . A A . 9 ILE CG2 1 1 10 2131 1 1 9 ILE H H -0.360 -2.984 -1.582 1.00 . A A . 9 ILE H 1 1 10 2132 1 1 9 ILE HA H 1.976 -4.398 -0.890 1.00 . A A . 9 ILE HA 1 1 10 2133 1 1 9 ILE HB H 0.814 -4.761 -2.992 1.00 . A A . 9 ILE HB 1 1 10 2134 1 1 9 ILE HD11 H 1.948 -4.585 -5.321 1.00 . A A . 9 ILE HD11 1 1 10 2135 1 1 9 ILE HD12 H 3.108 -5.886 -5.043 1.00 . A A . 9 ILE HD12 1 1 10 2136 1 1 9 ILE HD13 H 3.680 -4.250 -5.377 1.00 . A A . 9 ILE HD13 1 1 10 2137 1 1 9 ILE HG12 H 3.671 -3.802 -3.209 1.00 . A A . 9 ILE HG12 1 1 10 2138 1 1 9 ILE HG13 H 3.114 -5.440 -2.886 1.00 . A A . 9 ILE HG13 1 1 10 2139 1 1 9 ILE HG21 H 1.911 -2.135 -3.956 1.00 . A A . 9 ILE HG21 1 1 10 2140 1 1 9 ILE HG22 H 0.278 -2.305 -3.314 1.00 . A A . 9 ILE HG22 1 1 10 2141 1 1 9 ILE HG23 H 0.756 -3.200 -4.755 1.00 . A A . 9 ILE HG23 1 1 10 2142 1 1 9 ILE N N 0.381 -3.109 -0.955 1.00 . A A . 9 ILE N 1 1 10 2143 1 1 9 ILE O O 3.924 -2.806 -1.163 1.00 . A A . 9 ILE O 1 1 10 2144 1 1 10 PRO C C 4.463 -0.350 -0.307 1.00 . A A . 10 PRO C 1 1 10 2145 1 1 10 PRO CA C 3.426 -0.080 -1.386 1.00 . A A . 10 PRO CA 1 1 10 2146 1 1 10 PRO CB C 2.590 1.166 -1.039 1.00 . A A . 10 PRO CB 1 1 10 2147 1 1 10 PRO CD C 1.100 -0.585 -1.711 1.00 . A A . 10 PRO CD 1 1 10 2148 1 1 10 PRO CG C 1.178 0.682 -0.910 1.00 . A A . 10 PRO CG 1 1 10 2149 1 1 10 PRO HA H 3.930 0.072 -2.330 1.00 . A A . 10 PRO HA 1 1 10 2150 1 1 10 PRO HB2 H 2.944 1.593 -0.113 1.00 . A A . 10 PRO HB2 1 1 10 2151 1 1 10 PRO HB3 H 2.682 1.894 -1.831 1.00 . A A . 10 PRO HB3 1 1 10 2152 1 1 10 PRO HD2 H 0.319 -1.218 -1.334 1.00 . A A . 10 PRO HD2 1 1 10 2153 1 1 10 PRO HD3 H 0.950 -0.364 -2.758 1.00 . A A . 10 PRO HD3 1 1 10 2154 1 1 10 PRO HG2 H 0.955 0.480 0.127 1.00 . A A . 10 PRO HG2 1 1 10 2155 1 1 10 PRO HG3 H 0.497 1.417 -1.302 1.00 . A A . 10 PRO HG3 1 1 10 2156 1 1 10 PRO N N 2.430 -1.153 -1.478 1.00 . A A . 10 PRO N 1 1 10 2157 1 1 10 PRO O O 5.627 0.029 -0.434 1.00 . A A . 10 PRO O 1 1 10 2158 1 1 11 TYR C C 6.031 -2.291 1.356 1.00 . A A . 11 TYR C 1 1 10 2159 1 1 11 TYR CA C 4.912 -1.382 1.843 1.00 . A A . 11 TYR CA 1 1 10 2160 1 1 11 TYR CB C 4.108 -2.066 2.939 1.00 . A A . 11 TYR CB 1 1 10 2161 1 1 11 TYR CD1 C 3.551 0.010 4.254 1.00 . A A . 11 TYR CD1 1 1 10 2162 1 1 11 TYR CD2 C 1.755 -1.405 3.586 1.00 . A A . 11 TYR CD2 1 1 10 2163 1 1 11 TYR CE1 C 2.655 0.866 4.867 1.00 . A A . 11 TYR CE1 1 1 10 2164 1 1 11 TYR CE2 C 0.852 -0.554 4.196 1.00 . A A . 11 TYR CE2 1 1 10 2165 1 1 11 TYR CG C 3.117 -1.138 3.606 1.00 . A A . 11 TYR CG 1 1 10 2166 1 1 11 TYR CZ C 1.307 0.580 4.835 1.00 . A A . 11 TYR CZ 1 1 10 2167 1 1 11 TYR H H 3.094 -1.315 0.777 1.00 . A A . 11 TYR H 1 1 10 2168 1 1 11 TYR HA H 5.342 -0.473 2.233 1.00 . A A . 11 TYR HA 1 1 10 2169 1 1 11 TYR HB2 H 3.556 -2.890 2.504 1.00 . A A . 11 TYR HB2 1 1 10 2170 1 1 11 TYR HB3 H 4.781 -2.442 3.694 1.00 . A A . 11 TYR HB3 1 1 10 2171 1 1 11 TYR HD1 H 4.607 0.231 4.275 1.00 . A A . 11 TYR HD1 1 1 10 2172 1 1 11 TYR HD2 H 1.402 -2.292 3.085 1.00 . A A . 11 TYR HD2 1 1 10 2173 1 1 11 TYR HE1 H 3.014 1.755 5.365 1.00 . A A . 11 TYR HE1 1 1 10 2174 1 1 11 TYR HE2 H -0.204 -0.780 4.169 1.00 . A A . 11 TYR HE2 1 1 10 2175 1 1 11 TYR HH H 0.490 1.349 6.395 1.00 . A A . 11 TYR HH 1 1 10 2176 1 1 11 TYR N N 4.031 -1.030 0.745 1.00 . A A . 11 TYR N 1 1 10 2177 1 1 11 TYR O O 7.206 -2.051 1.629 1.00 . A A . 11 TYR O 1 1 10 2178 1 1 11 TYR OH O 0.412 1.430 5.442 1.00 . A A . 11 TYR OH 1 1 10 2179 1 1 12 PHE C C 7.625 -3.541 -0.837 1.00 . A A . 12 PHE C 1 1 10 2180 1 1 12 PHE CA C 6.631 -4.266 0.069 1.00 . A A . 12 PHE CA 1 1 10 2181 1 1 12 PHE CB C 5.921 -5.371 -0.717 1.00 . A A . 12 PHE CB 1 1 10 2182 1 1 12 PHE CD1 C 4.815 -5.990 1.468 1.00 . A A . 12 PHE CD1 1 1 10 2183 1 1 12 PHE CD2 C 4.221 -7.203 -0.499 1.00 . A A . 12 PHE CD2 1 1 10 2184 1 1 12 PHE CE1 C 3.939 -6.759 2.209 1.00 . A A . 12 PHE CE1 1 1 10 2185 1 1 12 PHE CE2 C 3.345 -7.975 0.240 1.00 . A A . 12 PHE CE2 1 1 10 2186 1 1 12 PHE CG C 4.967 -6.202 0.103 1.00 . A A . 12 PHE CG 1 1 10 2187 1 1 12 PHE CZ C 3.204 -7.753 1.594 1.00 . A A . 12 PHE CZ 1 1 10 2188 1 1 12 PHE H H 4.704 -3.465 0.420 1.00 . A A . 12 PHE H 1 1 10 2189 1 1 12 PHE HA H 7.168 -4.707 0.895 1.00 . A A . 12 PHE HA 1 1 10 2190 1 1 12 PHE HB2 H 5.358 -4.922 -1.522 1.00 . A A . 12 PHE HB2 1 1 10 2191 1 1 12 PHE HB3 H 6.667 -6.038 -1.133 1.00 . A A . 12 PHE HB3 1 1 10 2192 1 1 12 PHE HD1 H 5.390 -5.214 1.952 1.00 . A A . 12 PHE HD1 1 1 10 2193 1 1 12 PHE HD2 H 4.329 -7.377 -1.560 1.00 . A A . 12 PHE HD2 1 1 10 2194 1 1 12 PHE HE1 H 3.830 -6.584 3.270 1.00 . A A . 12 PHE HE1 1 1 10 2195 1 1 12 PHE HE2 H 2.769 -8.751 -0.244 1.00 . A A . 12 PHE HE2 1 1 10 2196 1 1 12 PHE HZ H 2.519 -8.355 2.174 1.00 . A A . 12 PHE HZ 1 1 10 2197 1 1 12 PHE N N 5.658 -3.331 0.614 1.00 . A A . 12 PHE N 1 1 10 2198 1 1 12 PHE O O 8.712 -4.048 -1.110 1.00 . A A . 12 PHE O 1 1 10 2199 1 1 13 GLY C C 9.500 -1.381 -1.592 1.00 . A A . 13 GLY C 1 1 10 2200 1 1 13 GLY CA C 8.112 -1.580 -2.177 1.00 . A A . 13 GLY CA 1 1 10 2201 1 1 13 GLY H H 6.361 -1.992 -1.056 1.00 . A A . 13 GLY H 1 1 10 2202 1 1 13 GLY HA2 H 8.203 -2.097 -3.121 1.00 . A A . 13 GLY HA2 1 1 10 2203 1 1 13 GLY HA3 H 7.664 -0.613 -2.350 1.00 . A A . 13 GLY HA3 1 1 10 2204 1 1 13 GLY N N 7.242 -2.350 -1.304 1.00 . A A . 13 GLY N 1 1 10 2205 1 1 13 GLY O O 10.460 -2.004 -2.043 1.00 . A A . 13 GLY O 1 1 10 2206 1 1 14 PRO C C 11.451 -1.439 0.846 1.00 . A A . 14 PRO C 1 1 10 2207 1 1 14 PRO CA C 10.930 -0.240 0.062 1.00 . A A . 14 PRO CA 1 1 10 2208 1 1 14 PRO CB C 10.626 0.927 1.007 1.00 . A A . 14 PRO CB 1 1 10 2209 1 1 14 PRO CD C 8.547 0.278 0.027 1.00 . A A . 14 PRO CD 1 1 10 2210 1 1 14 PRO CG C 9.166 0.823 1.281 1.00 . A A . 14 PRO CG 1 1 10 2211 1 1 14 PRO HA H 11.672 0.065 -0.662 1.00 . A A . 14 PRO HA 1 1 10 2212 1 1 14 PRO HB2 H 11.209 0.820 1.913 1.00 . A A . 14 PRO HB2 1 1 10 2213 1 1 14 PRO HB3 H 10.871 1.862 0.521 1.00 . A A . 14 PRO HB3 1 1 10 2214 1 1 14 PRO HD2 H 7.702 -0.352 0.264 1.00 . A A . 14 PRO HD2 1 1 10 2215 1 1 14 PRO HD3 H 8.246 1.082 -0.628 1.00 . A A . 14 PRO HD3 1 1 10 2216 1 1 14 PRO HG2 H 8.996 0.150 2.109 1.00 . A A . 14 PRO HG2 1 1 10 2217 1 1 14 PRO HG3 H 8.764 1.801 1.504 1.00 . A A . 14 PRO HG3 1 1 10 2218 1 1 14 PRO N N 9.637 -0.509 -0.576 1.00 . A A . 14 PRO N 1 1 10 2219 1 1 14 PRO O O 12.655 -1.572 1.065 1.00 . A A . 14 PRO O 1 1 10 2220 1 1 15 ALA C C 11.171 -4.682 1.093 1.00 . A A . 15 ALA C 1 1 10 2221 1 1 15 ALA CA C 10.908 -3.499 2.021 1.00 . A A . 15 ALA CA 1 1 10 2222 1 1 15 ALA CB C 9.819 -3.845 3.025 1.00 . A A . 15 ALA CB 1 1 10 2223 1 1 15 ALA H H 9.594 -2.152 1.058 1.00 . A A . 15 ALA H 1 1 10 2224 1 1 15 ALA HA H 11.813 -3.278 2.569 1.00 . A A . 15 ALA HA 1 1 10 2225 1 1 15 ALA HB1 H 9.474 -2.942 3.507 1.00 . A A . 15 ALA HB1 1 1 10 2226 1 1 15 ALA HB2 H 10.214 -4.521 3.768 1.00 . A A . 15 ALA HB2 1 1 10 2227 1 1 15 ALA HB3 H 8.993 -4.317 2.513 1.00 . A A . 15 ALA HB3 1 1 10 2228 1 1 15 ALA N N 10.538 -2.311 1.265 1.00 . A A . 15 ALA N 1 1 10 2229 1 1 15 ALA O O 10.626 -5.769 1.284 1.00 . A A . 15 ALA O 1 1 10 2230 1 1 16 ALA C C 13.721 -5.272 -1.484 1.00 . A A . 16 ALA C 1 1 10 2231 1 1 16 ALA CA C 12.345 -5.508 -0.871 1.00 . A A . 16 ALA CA 1 1 10 2232 1 1 16 ALA CB C 11.285 -5.583 -1.960 1.00 . A A . 16 ALA CB 1 1 10 2233 1 1 16 ALA H H 12.414 -3.574 -0.014 1.00 . A A . 16 ALA H 1 1 10 2234 1 1 16 ALA HA H 12.353 -6.451 -0.345 1.00 . A A . 16 ALA HA 1 1 10 2235 1 1 16 ALA HB1 H 10.492 -6.245 -1.646 1.00 . A A . 16 ALA HB1 1 1 10 2236 1 1 16 ALA HB2 H 11.729 -5.960 -2.870 1.00 . A A . 16 ALA HB2 1 1 10 2237 1 1 16 ALA HB3 H 10.881 -4.597 -2.138 1.00 . A A . 16 ALA HB3 1 1 10 2238 1 1 16 ALA N N 12.010 -4.461 0.087 1.00 . A A . 16 ALA N 1 1 10 2239 1 1 16 ALA O O 14.702 -5.852 -0.976 1.00 . A A . 16 ALA O 1 1 10 2240 1 1 16 ALA OXT O 13.806 -4.509 -2.471 1.00 . A A . 16 ALA OXT 1 1 11 2241 1 1 1 GLY C C -5.482 -1.639 4.307 1.00 . A A . 1 GLY C 1 1 11 2242 1 1 1 GLY CA C -4.008 -1.570 4.652 1.00 . A A . 1 GLY CA 1 1 11 2243 1 1 1 GLY H1 H -2.368 -2.718 4.057 1.00 . A A . 1 GLY H1 1 1 11 2244 1 1 1 GLY H2 H -3.860 -3.473 3.805 1.00 . A A . 1 GLY H2 1 1 11 2245 1 1 1 GLY H3 H -3.221 -3.368 5.367 1.00 . A A . 1 GLY H3 1 1 11 2246 1 1 1 GLY HA2 H -3.905 -1.271 5.685 1.00 . A A . 1 GLY HA2 1 1 11 2247 1 1 1 GLY HA3 H -3.537 -0.827 4.026 1.00 . A A . 1 GLY HA3 1 1 11 2248 1 1 1 GLY N N -3.317 -2.873 4.457 1.00 . A A . 1 GLY N 1 1 11 2249 1 1 1 GLY O O -6.332 -1.220 5.093 1.00 . A A . 1 GLY O 1 1 11 2250 1 1 2 ALA C C -7.840 -0.925 2.588 1.00 . A A . 2 ALA C 1 1 11 2251 1 1 2 ALA CA C -7.169 -2.291 2.678 1.00 . A A . 2 ALA CA 1 1 11 2252 1 1 2 ALA CB C -7.948 -3.203 3.614 1.00 . A A . 2 ALA CB 1 1 11 2253 1 1 2 ALA H H -5.067 -2.485 2.543 1.00 . A A . 2 ALA H 1 1 11 2254 1 1 2 ALA HA H -7.162 -2.743 1.697 1.00 . A A . 2 ALA HA 1 1 11 2255 1 1 2 ALA HB1 H -7.260 -3.837 4.153 1.00 . A A . 2 ALA HB1 1 1 11 2256 1 1 2 ALA HB2 H -8.627 -3.816 3.037 1.00 . A A . 2 ALA HB2 1 1 11 2257 1 1 2 ALA HB3 H -8.511 -2.604 4.314 1.00 . A A . 2 ALA HB3 1 1 11 2258 1 1 2 ALA N N -5.787 -2.168 3.127 1.00 . A A . 2 ALA N 1 1 11 2259 1 1 2 ALA O O -9.043 -0.796 2.818 1.00 . A A . 2 ALA O 1 1 11 2260 1 1 3 ALA C C -8.413 1.607 0.869 1.00 . A A . 3 ALA C 1 1 11 2261 1 1 3 ALA CA C -7.573 1.450 2.132 1.00 . A A . 3 ALA CA 1 1 11 2262 1 1 3 ALA CB C -6.430 2.454 2.136 1.00 . A A . 3 ALA CB 1 1 11 2263 1 1 3 ALA H H -6.105 -0.072 2.081 1.00 . A A . 3 ALA H 1 1 11 2264 1 1 3 ALA HA H -8.196 1.646 2.993 1.00 . A A . 3 ALA HA 1 1 11 2265 1 1 3 ALA HB1 H -5.732 2.202 2.922 1.00 . A A . 3 ALA HB1 1 1 11 2266 1 1 3 ALA HB2 H -6.822 3.446 2.307 1.00 . A A . 3 ALA HB2 1 1 11 2267 1 1 3 ALA HB3 H -5.924 2.426 1.183 1.00 . A A . 3 ALA HB3 1 1 11 2268 1 1 3 ALA N N -7.055 0.093 2.252 1.00 . A A . 3 ALA N 1 1 11 2269 1 1 3 ALA O O -9.584 1.980 0.933 1.00 . A A . 3 ALA O 1 1 11 2270 1 1 4 ILE C C -8.679 0.058 -2.207 1.00 . A A . 4 ILE C 1 1 11 2271 1 1 4 ILE CA C -8.499 1.428 -1.557 1.00 . A A . 4 ILE CA 1 1 11 2272 1 1 4 ILE CB C -7.735 2.355 -2.527 1.00 . A A . 4 ILE CB 1 1 11 2273 1 1 4 ILE CD1 C -9.884 3.041 -3.706 1.00 . A A . 4 ILE CD1 1 1 11 2274 1 1 4 ILE CG1 C -8.485 2.483 -3.855 1.00 . A A . 4 ILE CG1 1 1 11 2275 1 1 4 ILE CG2 C -6.322 1.833 -2.759 1.00 . A A . 4 ILE CG2 1 1 11 2276 1 1 4 ILE H H -6.871 1.026 -0.265 1.00 . A A . 4 ILE H 1 1 11 2277 1 1 4 ILE HA H -9.472 1.858 -1.374 1.00 . A A . 4 ILE HA 1 1 11 2278 1 1 4 ILE HB H -7.659 3.330 -2.070 1.00 . A A . 4 ILE HB 1 1 11 2279 1 1 4 ILE HD11 H -9.985 3.924 -4.318 1.00 . A A . 4 ILE HD11 1 1 11 2280 1 1 4 ILE HD12 H -10.062 3.295 -2.673 1.00 . A A . 4 ILE HD12 1 1 11 2281 1 1 4 ILE HD13 H -10.602 2.298 -4.024 1.00 . A A . 4 ILE HD13 1 1 11 2282 1 1 4 ILE HG12 H -7.934 3.142 -4.509 1.00 . A A . 4 ILE HG12 1 1 11 2283 1 1 4 ILE HG13 H -8.562 1.508 -4.314 1.00 . A A . 4 ILE HG13 1 1 11 2284 1 1 4 ILE HG21 H -5.611 2.620 -2.554 1.00 . A A . 4 ILE HG21 1 1 11 2285 1 1 4 ILE HG22 H -6.219 1.514 -3.785 1.00 . A A . 4 ILE HG22 1 1 11 2286 1 1 4 ILE HG23 H -6.133 0.997 -2.102 1.00 . A A . 4 ILE HG23 1 1 11 2287 1 1 4 ILE N N -7.807 1.319 -0.278 1.00 . A A . 4 ILE N 1 1 11 2288 1 1 4 ILE O O -9.493 -0.104 -3.117 1.00 . A A . 4 ILE O 1 1 11 2289 1 1 5 GLY C C -6.701 -2.716 -2.919 1.00 . A A . 5 GLY C 1 1 11 2290 1 1 5 GLY CA C -8.004 -2.262 -2.292 1.00 . A A . 5 GLY CA 1 1 11 2291 1 1 5 GLY H H -7.282 -0.737 -1.016 1.00 . A A . 5 GLY H 1 1 11 2292 1 1 5 GLY HA2 H -8.270 -2.949 -1.501 1.00 . A A . 5 GLY HA2 1 1 11 2293 1 1 5 GLY HA3 H -8.779 -2.279 -3.044 1.00 . A A . 5 GLY HA3 1 1 11 2294 1 1 5 GLY N N -7.914 -0.923 -1.740 1.00 . A A . 5 GLY N 1 1 11 2295 1 1 5 GLY O O -6.491 -3.909 -3.133 1.00 . A A . 5 GLY O 1 1 11 2296 1 1 6 LEU C C -3.447 -1.129 -3.302 1.00 . A A . 6 LEU C 1 1 11 2297 1 1 6 LEU CA C -4.532 -2.070 -3.819 1.00 . A A . 6 LEU CA 1 1 11 2298 1 1 6 LEU CB C -4.624 -1.971 -5.343 1.00 . A A . 6 LEU CB 1 1 11 2299 1 1 6 LEU CD1 C -5.647 -2.722 -7.505 1.00 . A A . 6 LEU CD1 1 1 11 2300 1 1 6 LEU CD2 C -5.302 -4.370 -5.651 1.00 . A A . 6 LEU CD2 1 1 11 2301 1 1 6 LEU CG C -5.630 -2.923 -5.997 1.00 . A A . 6 LEU CG 1 1 11 2302 1 1 6 LEU H H -6.047 -0.826 -3.017 1.00 . A A . 6 LEU H 1 1 11 2303 1 1 6 LEU HA H -4.273 -3.082 -3.548 1.00 . A A . 6 LEU HA 1 1 11 2304 1 1 6 LEU HB2 H -4.897 -0.959 -5.601 1.00 . A A . 6 LEU HB2 1 1 11 2305 1 1 6 LEU HB3 H -3.647 -2.178 -5.755 1.00 . A A . 6 LEU HB3 1 1 11 2306 1 1 6 LEU HD11 H -6.651 -2.867 -7.874 1.00 . A A . 6 LEU HD11 1 1 11 2307 1 1 6 LEU HD12 H -4.986 -3.438 -7.971 1.00 . A A . 6 LEU HD12 1 1 11 2308 1 1 6 LEU HD13 H -5.318 -1.722 -7.739 1.00 . A A . 6 LEU HD13 1 1 11 2309 1 1 6 LEU HD21 H -4.437 -4.400 -5.005 1.00 . A A . 6 LEU HD21 1 1 11 2310 1 1 6 LEU HD22 H -5.092 -4.919 -6.558 1.00 . A A . 6 LEU HD22 1 1 11 2311 1 1 6 LEU HD23 H -6.144 -4.818 -5.146 1.00 . A A . 6 LEU HD23 1 1 11 2312 1 1 6 LEU HG H -6.618 -2.703 -5.620 1.00 . A A . 6 LEU HG 1 1 11 2313 1 1 6 LEU N N -5.823 -1.761 -3.213 1.00 . A A . 6 LEU N 1 1 11 2314 1 1 6 LEU O O -2.431 -0.916 -3.965 1.00 . A A . 6 LEU O 1 1 11 2315 1 1 7 ALA C C -1.981 -0.311 -0.346 1.00 . A A . 7 ALA C 1 1 11 2316 1 1 7 ALA CA C -2.704 0.345 -1.515 1.00 . A A . 7 ALA CA 1 1 11 2317 1 1 7 ALA CB C -3.401 1.615 -1.056 1.00 . A A . 7 ALA CB 1 1 11 2318 1 1 7 ALA H H -4.493 -0.777 -1.634 1.00 . A A . 7 ALA H 1 1 11 2319 1 1 7 ALA HA H -1.980 0.613 -2.270 1.00 . A A . 7 ALA HA 1 1 11 2320 1 1 7 ALA HB1 H -3.385 2.341 -1.854 1.00 . A A . 7 ALA HB1 1 1 11 2321 1 1 7 ALA HB2 H -2.888 2.014 -0.194 1.00 . A A . 7 ALA HB2 1 1 11 2322 1 1 7 ALA HB3 H -4.423 1.388 -0.794 1.00 . A A . 7 ALA HB3 1 1 11 2323 1 1 7 ALA N N -3.666 -0.570 -2.116 1.00 . A A . 7 ALA N 1 1 11 2324 1 1 7 ALA O O -1.623 0.350 0.630 1.00 . A A . 7 ALA O 1 1 11 2325 1 1 8 TRP C C 0.298 -2.804 0.108 1.00 . A A . 8 TRP C 1 1 11 2326 1 1 8 TRP CA C -1.081 -2.371 0.585 1.00 . A A . 8 TRP CA 1 1 11 2327 1 1 8 TRP CB C -1.883 -3.615 0.958 1.00 . A A . 8 TRP CB 1 1 11 2328 1 1 8 TRP CD1 C -3.047 -4.367 -1.197 1.00 . A A . 8 TRP CD1 1 1 11 2329 1 1 8 TRP CD2 C -1.343 -5.671 -0.562 1.00 . A A . 8 TRP CD2 1 1 11 2330 1 1 8 TRP CE2 C -1.889 -6.194 -1.749 1.00 . A A . 8 TRP CE2 1 1 11 2331 1 1 8 TRP CE3 C -0.254 -6.320 0.023 1.00 . A A . 8 TRP CE3 1 1 11 2332 1 1 8 TRP CG C -2.114 -4.518 -0.213 1.00 . A A . 8 TRP CG 1 1 11 2333 1 1 8 TRP CH2 C -0.305 -7.945 -1.772 1.00 . A A . 8 TRP CH2 1 1 11 2334 1 1 8 TRP CZ2 C -1.377 -7.334 -2.362 1.00 . A A . 8 TRP CZ2 1 1 11 2335 1 1 8 TRP CZ3 C 0.257 -7.447 -0.589 1.00 . A A . 8 TRP CZ3 1 1 11 2336 1 1 8 TRP H H -2.071 -2.083 -1.261 1.00 . A A . 8 TRP H 1 1 11 2337 1 1 8 TRP HA H -0.976 -1.737 1.452 1.00 . A A . 8 TRP HA 1 1 11 2338 1 1 8 TRP HB2 H -1.345 -4.173 1.713 1.00 . A A . 8 TRP HB2 1 1 11 2339 1 1 8 TRP HB3 H -2.846 -3.314 1.348 1.00 . A A . 8 TRP HB3 1 1 11 2340 1 1 8 TRP HD1 H -3.781 -3.575 -1.224 1.00 . A A . 8 TRP HD1 1 1 11 2341 1 1 8 TRP HE1 H -3.501 -5.506 -2.903 1.00 . A A . 8 TRP HE1 1 1 11 2342 1 1 8 TRP HE3 H 0.193 -5.950 0.935 1.00 . A A . 8 TRP HE3 1 1 11 2343 1 1 8 TRP HH2 H 0.125 -8.828 -2.216 1.00 . A A . 8 TRP HH2 1 1 11 2344 1 1 8 TRP HZ2 H -1.798 -7.729 -3.275 1.00 . A A . 8 TRP HZ2 1 1 11 2345 1 1 8 TRP HZ3 H 1.105 -7.957 -0.153 1.00 . A A . 8 TRP HZ3 1 1 11 2346 1 1 8 TRP N N -1.765 -1.616 -0.457 1.00 . A A . 8 TRP N 1 1 11 2347 1 1 8 TRP NE1 N -2.934 -5.385 -2.113 1.00 . A A . 8 TRP NE1 1 1 11 2348 1 1 8 TRP O O 1.260 -2.826 0.877 1.00 . A A . 8 TRP O 1 1 11 2349 1 1 9 ILE C C 2.769 -2.625 -1.545 1.00 . A A . 9 ILE C 1 1 11 2350 1 1 9 ILE CA C 1.626 -3.619 -1.764 1.00 . A A . 9 ILE CA 1 1 11 2351 1 1 9 ILE CB C 1.460 -3.957 -3.267 1.00 . A A . 9 ILE CB 1 1 11 2352 1 1 9 ILE CD1 C 3.792 -3.233 -4.076 1.00 . A A . 9 ILE CD1 1 1 11 2353 1 1 9 ILE CG1 C 2.802 -4.366 -3.891 1.00 . A A . 9 ILE CG1 1 1 11 2354 1 1 9 ILE CG2 C 0.829 -2.802 -4.031 1.00 . A A . 9 ILE CG2 1 1 11 2355 1 1 9 ILE H H -0.433 -3.130 -1.722 1.00 . A A . 9 ILE H 1 1 11 2356 1 1 9 ILE HA H 1.890 -4.537 -1.256 1.00 . A A . 9 ILE HA 1 1 11 2357 1 1 9 ILE HB H 0.782 -4.795 -3.336 1.00 . A A . 9 ILE HB 1 1 11 2358 1 1 9 ILE HD11 H 4.618 -3.362 -3.394 1.00 . A A . 9 ILE HD11 1 1 11 2359 1 1 9 ILE HD12 H 3.307 -2.290 -3.876 1.00 . A A . 9 ILE HD12 1 1 11 2360 1 1 9 ILE HD13 H 4.158 -3.240 -5.091 1.00 . A A . 9 ILE HD13 1 1 11 2361 1 1 9 ILE HG12 H 3.268 -5.094 -3.245 1.00 . A A . 9 ILE HG12 1 1 11 2362 1 1 9 ILE HG13 H 2.620 -4.813 -4.857 1.00 . A A . 9 ILE HG13 1 1 11 2363 1 1 9 ILE HG21 H 0.398 -3.175 -4.948 1.00 . A A . 9 ILE HG21 1 1 11 2364 1 1 9 ILE HG22 H 1.579 -2.065 -4.262 1.00 . A A . 9 ILE HG22 1 1 11 2365 1 1 9 ILE HG23 H 0.054 -2.353 -3.429 1.00 . A A . 9 ILE HG23 1 1 11 2366 1 1 9 ILE N N 0.376 -3.163 -1.170 1.00 . A A . 9 ILE N 1 1 11 2367 1 1 9 ILE O O 3.880 -3.040 -1.217 1.00 . A A . 9 ILE O 1 1 11 2368 1 1 10 PRO C C 4.420 -0.596 -0.260 1.00 . A A . 10 PRO C 1 1 11 2369 1 1 10 PRO CA C 3.583 -0.297 -1.501 1.00 . A A . 10 PRO CA 1 1 11 2370 1 1 10 PRO CB C 2.802 1.019 -1.328 1.00 . A A . 10 PRO CB 1 1 11 2371 1 1 10 PRO CD C 1.274 -0.669 -2.082 1.00 . A A . 10 PRO CD 1 1 11 2372 1 1 10 PRO CG C 1.354 0.643 -1.357 1.00 . A A . 10 PRO CG 1 1 11 2373 1 1 10 PRO HA H 4.234 -0.224 -2.360 1.00 . A A . 10 PRO HA 1 1 11 2374 1 1 10 PRO HB2 H 3.070 1.475 -0.386 1.00 . A A . 10 PRO HB2 1 1 11 2375 1 1 10 PRO HB3 H 3.049 1.690 -2.137 1.00 . A A . 10 PRO HB3 1 1 11 2376 1 1 10 PRO HD2 H 0.426 -1.239 -1.741 1.00 . A A . 10 PRO HD2 1 1 11 2377 1 1 10 PRO HD3 H 1.224 -0.511 -3.150 1.00 . A A . 10 PRO HD3 1 1 11 2378 1 1 10 PRO HG2 H 0.984 0.533 -0.348 1.00 . A A . 10 PRO HG2 1 1 11 2379 1 1 10 PRO HG3 H 0.789 1.398 -1.884 1.00 . A A . 10 PRO HG3 1 1 11 2380 1 1 10 PRO N N 2.538 -1.304 -1.706 1.00 . A A . 10 PRO N 1 1 11 2381 1 1 10 PRO O O 5.598 -0.244 -0.188 1.00 . A A . 10 PRO O 1 1 11 2382 1 1 11 TYR C C 5.768 -2.390 1.653 1.00 . A A . 11 TYR C 1 1 11 2383 1 1 11 TYR CA C 4.472 -1.643 1.945 1.00 . A A . 11 TYR CA 1 1 11 2384 1 1 11 TYR CB C 3.548 -2.523 2.791 1.00 . A A . 11 TYR CB 1 1 11 2385 1 1 11 TYR CD1 C 1.995 -0.517 2.893 1.00 . A A . 11 TYR CD1 1 1 11 2386 1 1 11 TYR CD2 C 1.323 -2.528 3.987 1.00 . A A . 11 TYR CD2 1 1 11 2387 1 1 11 TYR CE1 C 0.826 0.096 3.297 1.00 . A A . 11 TYR CE1 1 1 11 2388 1 1 11 TYR CE2 C 0.151 -1.919 4.392 1.00 . A A . 11 TYR CE2 1 1 11 2389 1 1 11 TYR CG C 2.265 -1.841 3.230 1.00 . A A . 11 TYR CG 1 1 11 2390 1 1 11 TYR CZ C -0.093 -0.607 4.047 1.00 . A A . 11 TYR CZ 1 1 11 2391 1 1 11 TYR H H 2.864 -1.526 0.583 1.00 . A A . 11 TYR H 1 1 11 2392 1 1 11 TYR HA H 4.700 -0.740 2.492 1.00 . A A . 11 TYR HA 1 1 11 2393 1 1 11 TYR HB2 H 3.275 -3.396 2.212 1.00 . A A . 11 TYR HB2 1 1 11 2394 1 1 11 TYR HB3 H 4.078 -2.837 3.678 1.00 . A A . 11 TYR HB3 1 1 11 2395 1 1 11 TYR HD1 H 2.715 0.034 2.306 1.00 . A A . 11 TYR HD1 1 1 11 2396 1 1 11 TYR HD2 H 1.515 -3.556 4.257 1.00 . A A . 11 TYR HD2 1 1 11 2397 1 1 11 TYR HE1 H 0.634 1.125 3.026 1.00 . A A . 11 TYR HE1 1 1 11 2398 1 1 11 TYR HE2 H -0.568 -2.471 4.980 1.00 . A A . 11 TYR HE2 1 1 11 2399 1 1 11 TYR HH H -1.810 0.178 3.685 1.00 . A A . 11 TYR HH 1 1 11 2400 1 1 11 TYR N N 3.800 -1.268 0.708 1.00 . A A . 11 TYR N 1 1 11 2401 1 1 11 TYR O O 6.765 -2.226 2.358 1.00 . A A . 11 TYR O 1 1 11 2402 1 1 11 TYR OH O -1.258 0.001 4.451 1.00 . A A . 11 TYR OH 1 1 11 2403 1 1 12 PHE C C 8.004 -3.075 -0.357 1.00 . A A . 12 PHE C 1 1 11 2404 1 1 12 PHE CA C 6.923 -3.983 0.219 1.00 . A A . 12 PHE CA 1 1 11 2405 1 1 12 PHE CB C 6.550 -5.065 -0.799 1.00 . A A . 12 PHE CB 1 1 11 2406 1 1 12 PHE CD1 C 4.382 -5.853 0.217 1.00 . A A . 12 PHE CD1 1 1 11 2407 1 1 12 PHE CD2 C 6.098 -7.457 -0.195 1.00 . A A . 12 PHE CD2 1 1 11 2408 1 1 12 PHE CE1 C 3.569 -6.849 0.724 1.00 . A A . 12 PHE CE1 1 1 11 2409 1 1 12 PHE CE2 C 5.289 -8.456 0.310 1.00 . A A . 12 PHE CE2 1 1 11 2410 1 1 12 PHE CG C 5.657 -6.144 -0.248 1.00 . A A . 12 PHE CG 1 1 11 2411 1 1 12 PHE CZ C 4.023 -8.153 0.770 1.00 . A A . 12 PHE CZ 1 1 11 2412 1 1 12 PHE H H 4.924 -3.295 0.082 1.00 . A A . 12 PHE H 1 1 11 2413 1 1 12 PHE HA H 7.311 -4.458 1.108 1.00 . A A . 12 PHE HA 1 1 11 2414 1 1 12 PHE HB2 H 6.034 -4.603 -1.629 1.00 . A A . 12 PHE HB2 1 1 11 2415 1 1 12 PHE HB3 H 7.456 -5.535 -1.159 1.00 . A A . 12 PHE HB3 1 1 11 2416 1 1 12 PHE HD1 H 4.023 -4.838 0.181 1.00 . A A . 12 PHE HD1 1 1 11 2417 1 1 12 PHE HD2 H 7.088 -7.698 -0.553 1.00 . A A . 12 PHE HD2 1 1 11 2418 1 1 12 PHE HE1 H 2.580 -6.608 1.082 1.00 . A A . 12 PHE HE1 1 1 11 2419 1 1 12 PHE HE2 H 5.645 -9.476 0.345 1.00 . A A . 12 PHE HE2 1 1 11 2420 1 1 12 PHE HZ H 3.389 -8.932 1.164 1.00 . A A . 12 PHE HZ 1 1 11 2421 1 1 12 PHE N N 5.747 -3.211 0.607 1.00 . A A . 12 PHE N 1 1 11 2422 1 1 12 PHE O O 9.194 -3.290 -0.130 1.00 . A A . 12 PHE O 1 1 11 2423 1 1 13 GLY C C 9.551 -1.829 -2.580 1.00 . A A . 13 GLY C 1 1 11 2424 1 1 13 GLY CA C 8.529 -1.132 -1.696 1.00 . A A . 13 GLY CA 1 1 11 2425 1 1 13 GLY H H 6.620 -1.934 -1.249 1.00 . A A . 13 GLY H 1 1 11 2426 1 1 13 GLY HA2 H 7.987 -0.411 -2.290 1.00 . A A . 13 GLY HA2 1 1 11 2427 1 1 13 GLY HA3 H 9.050 -0.612 -0.906 1.00 . A A . 13 GLY HA3 1 1 11 2428 1 1 13 GLY N N 7.582 -2.058 -1.103 1.00 . A A . 13 GLY N 1 1 11 2429 1 1 13 GLY O O 10.493 -2.441 -2.074 1.00 . A A . 13 GLY O 1 1 11 2430 1 1 14 PRO C C 11.695 -1.721 -4.853 1.00 . A A . 14 PRO C 1 1 11 2431 1 1 14 PRO CA C 10.325 -2.391 -4.853 1.00 . A A . 14 PRO CA 1 1 11 2432 1 1 14 PRO CB C 9.642 -2.214 -6.210 1.00 . A A . 14 PRO CB 1 1 11 2433 1 1 14 PRO CD C 8.305 -1.047 -4.612 1.00 . A A . 14 PRO CD 1 1 11 2434 1 1 14 PRO CG C 8.767 -1.021 -6.042 1.00 . A A . 14 PRO CG 1 1 11 2435 1 1 14 PRO HA H 10.441 -3.444 -4.640 1.00 . A A . 14 PRO HA 1 1 11 2436 1 1 14 PRO HB2 H 10.391 -2.050 -6.975 1.00 . A A . 14 PRO HB2 1 1 11 2437 1 1 14 PRO HB3 H 9.064 -3.097 -6.445 1.00 . A A . 14 PRO HB3 1 1 11 2438 1 1 14 PRO HD2 H 8.194 -0.041 -4.232 1.00 . A A . 14 PRO HD2 1 1 11 2439 1 1 14 PRO HD3 H 7.376 -1.590 -4.525 1.00 . A A . 14 PRO HD3 1 1 11 2440 1 1 14 PRO HG2 H 9.331 -0.120 -6.237 1.00 . A A . 14 PRO HG2 1 1 11 2441 1 1 14 PRO HG3 H 7.922 -1.087 -6.710 1.00 . A A . 14 PRO HG3 1 1 11 2442 1 1 14 PRO N N 9.395 -1.755 -3.914 1.00 . A A . 14 PRO N 1 1 11 2443 1 1 14 PRO O O 11.804 -0.509 -5.039 1.00 . A A . 14 PRO O 1 1 11 2444 1 1 15 ALA C C 14.823 -2.300 -5.932 1.00 . A A . 15 ALA C 1 1 11 2445 1 1 15 ALA CA C 14.101 -2.001 -4.622 1.00 . A A . 15 ALA CA 1 1 11 2446 1 1 15 ALA CB C 14.869 -2.592 -3.449 1.00 . A A . 15 ALA CB 1 1 11 2447 1 1 15 ALA H H 12.587 -3.476 -4.504 1.00 . A A . 15 ALA H 1 1 11 2448 1 1 15 ALA HA H 14.051 -0.931 -4.486 1.00 . A A . 15 ALA HA 1 1 11 2449 1 1 15 ALA HB1 H 15.893 -2.254 -3.482 1.00 . A A . 15 ALA HB1 1 1 11 2450 1 1 15 ALA HB2 H 14.844 -3.671 -3.507 1.00 . A A . 15 ALA HB2 1 1 11 2451 1 1 15 ALA HB3 H 14.412 -2.273 -2.524 1.00 . A A . 15 ALA HB3 1 1 11 2452 1 1 15 ALA N N 12.739 -2.518 -4.646 1.00 . A A . 15 ALA N 1 1 11 2453 1 1 15 ALA O O 15.269 -3.422 -6.164 1.00 . A A . 15 ALA O 1 1 11 2454 1 1 16 ALA C C 15.971 -0.082 -8.662 1.00 . A A . 16 ALA C 1 1 11 2455 1 1 16 ALA CA C 15.603 -1.437 -8.070 1.00 . A A . 16 ALA CA 1 1 11 2456 1 1 16 ALA CB C 14.721 -2.214 -9.034 1.00 . A A . 16 ALA CB 1 1 11 2457 1 1 16 ALA H H 14.559 -0.413 -6.540 1.00 . A A . 16 ALA H 1 1 11 2458 1 1 16 ALA HA H 16.509 -2.006 -7.910 1.00 . A A . 16 ALA HA 1 1 11 2459 1 1 16 ALA HB1 H 13.855 -1.620 -9.287 1.00 . A A . 16 ALA HB1 1 1 11 2460 1 1 16 ALA HB2 H 14.402 -3.135 -8.569 1.00 . A A . 16 ALA HB2 1 1 11 2461 1 1 16 ALA HB3 H 15.276 -2.438 -9.932 1.00 . A A . 16 ALA HB3 1 1 11 2462 1 1 16 ALA N N 14.935 -1.284 -6.784 1.00 . A A . 16 ALA N 1 1 11 2463 1 1 16 ALA O O 15.743 0.942 -7.982 1.00 . A A . 16 ALA O 1 1 11 2464 1 1 16 ALA OXT O 16.486 -0.053 -9.799 1.00 . A A . 16 ALA OXT 1 1 12 2465 1 1 1 GLY C C -10.856 0.470 -7.656 1.00 . A A . 1 GLY C 1 1 12 2466 1 1 1 GLY CA C -12.153 1.235 -7.832 1.00 . A A . 1 GLY CA 1 1 12 2467 1 1 1 GLY H1 H -13.009 0.908 -9.710 1.00 . A A . 1 GLY H1 1 1 12 2468 1 1 1 GLY H2 H -11.502 1.678 -9.767 1.00 . A A . 1 GLY H2 1 1 12 2469 1 1 1 GLY H3 H -12.876 2.544 -9.292 1.00 . A A . 1 GLY H3 1 1 12 2470 1 1 1 GLY HA2 H -12.114 2.131 -7.231 1.00 . A A . 1 GLY HA2 1 1 12 2471 1 1 1 GLY HA3 H -12.971 0.620 -7.488 1.00 . A A . 1 GLY HA3 1 1 12 2472 1 1 1 GLY N N -12.403 1.618 -9.249 1.00 . A A . 1 GLY N 1 1 12 2473 1 1 1 GLY O O -10.846 -0.760 -7.679 1.00 . A A . 1 GLY O 1 1 12 2474 1 1 2 ALA C C -7.517 1.507 -6.523 1.00 . A A . 2 ALA C 1 1 12 2475 1 1 2 ALA CA C -8.451 0.586 -7.299 1.00 . A A . 2 ALA CA 1 1 12 2476 1 1 2 ALA CB C -7.846 0.228 -8.649 1.00 . A A . 2 ALA CB 1 1 12 2477 1 1 2 ALA H H -9.834 2.179 -7.472 1.00 . A A . 2 ALA H 1 1 12 2478 1 1 2 ALA HA H -8.587 -0.327 -6.740 1.00 . A A . 2 ALA HA 1 1 12 2479 1 1 2 ALA HB1 H -8.379 -0.609 -9.073 1.00 . A A . 2 ALA HB1 1 1 12 2480 1 1 2 ALA HB2 H -6.807 -0.034 -8.519 1.00 . A A . 2 ALA HB2 1 1 12 2481 1 1 2 ALA HB3 H -7.922 1.077 -9.313 1.00 . A A . 2 ALA HB3 1 1 12 2482 1 1 2 ALA N N -9.760 1.201 -7.480 1.00 . A A . 2 ALA N 1 1 12 2483 1 1 2 ALA O O -6.358 1.694 -6.897 1.00 . A A . 2 ALA O 1 1 12 2484 1 1 3 ALA C C -6.972 2.382 -3.230 1.00 . A A . 3 ALA C 1 1 12 2485 1 1 3 ALA CA C -7.241 2.984 -4.607 1.00 . A A . 3 ALA CA 1 1 12 2486 1 1 3 ALA CB C -7.950 4.323 -4.470 1.00 . A A . 3 ALA CB 1 1 12 2487 1 1 3 ALA H H -8.958 1.892 -5.193 1.00 . A A . 3 ALA H 1 1 12 2488 1 1 3 ALA HA H -6.296 3.154 -5.104 1.00 . A A . 3 ALA HA 1 1 12 2489 1 1 3 ALA HB1 H -8.477 4.355 -3.530 1.00 . A A . 3 ALA HB1 1 1 12 2490 1 1 3 ALA HB2 H -8.652 4.442 -5.282 1.00 . A A . 3 ALA HB2 1 1 12 2491 1 1 3 ALA HB3 H -7.222 5.119 -4.503 1.00 . A A . 3 ALA HB3 1 1 12 2492 1 1 3 ALA N N -8.028 2.080 -5.439 1.00 . A A . 3 ALA N 1 1 12 2493 1 1 3 ALA O O -6.115 2.867 -2.491 1.00 . A A . 3 ALA O 1 1 12 2494 1 1 4 ILE C C -7.136 -0.788 -1.771 1.00 . A A . 4 ILE C 1 1 12 2495 1 1 4 ILE CA C -7.539 0.669 -1.595 1.00 . A A . 4 ILE CA 1 1 12 2496 1 1 4 ILE CB C -8.830 0.743 -0.754 1.00 . A A . 4 ILE CB 1 1 12 2497 1 1 4 ILE CD1 C -7.500 0.685 1.415 1.00 . A A . 4 ILE CD1 1 1 12 2498 1 1 4 ILE CG1 C -8.622 0.071 0.606 1.00 . A A . 4 ILE CG1 1 1 12 2499 1 1 4 ILE CG2 C -9.986 0.093 -1.499 1.00 . A A . 4 ILE CG2 1 1 12 2500 1 1 4 ILE H H -8.374 0.983 -3.514 1.00 . A A . 4 ILE H 1 1 12 2501 1 1 4 ILE HA H -6.757 1.181 -1.065 1.00 . A A . 4 ILE HA 1 1 12 2502 1 1 4 ILE HB H -9.073 1.784 -0.599 1.00 . A A . 4 ILE HB 1 1 12 2503 1 1 4 ILE HD11 H -7.886 1.029 2.364 1.00 . A A . 4 ILE HD11 1 1 12 2504 1 1 4 ILE HD12 H -7.078 1.519 0.873 1.00 . A A . 4 ILE HD12 1 1 12 2505 1 1 4 ILE HD13 H -6.733 -0.057 1.587 1.00 . A A . 4 ILE HD13 1 1 12 2506 1 1 4 ILE HG12 H -9.529 0.154 1.184 1.00 . A A . 4 ILE HG12 1 1 12 2507 1 1 4 ILE HG13 H -8.390 -0.973 0.454 1.00 . A A . 4 ILE HG13 1 1 12 2508 1 1 4 ILE HG21 H -10.159 0.621 -2.425 1.00 . A A . 4 ILE HG21 1 1 12 2509 1 1 4 ILE HG22 H -10.876 0.135 -0.888 1.00 . A A . 4 ILE HG22 1 1 12 2510 1 1 4 ILE HG23 H -9.744 -0.938 -1.711 1.00 . A A . 4 ILE HG23 1 1 12 2511 1 1 4 ILE N N -7.707 1.327 -2.886 1.00 . A A . 4 ILE N 1 1 12 2512 1 1 4 ILE O O -6.340 -1.323 -1.000 1.00 . A A . 4 ILE O 1 1 12 2513 1 1 5 GLY C C -5.897 -3.019 -3.337 1.00 . A A . 5 GLY C 1 1 12 2514 1 1 5 GLY CA C -7.373 -2.806 -3.068 1.00 . A A . 5 GLY CA 1 1 12 2515 1 1 5 GLY H H -8.306 -0.933 -3.374 1.00 . A A . 5 GLY H 1 1 12 2516 1 1 5 GLY HA2 H -7.665 -3.405 -2.217 1.00 . A A . 5 GLY HA2 1 1 12 2517 1 1 5 GLY HA3 H -7.936 -3.129 -3.931 1.00 . A A . 5 GLY HA3 1 1 12 2518 1 1 5 GLY N N -7.686 -1.417 -2.796 1.00 . A A . 5 GLY N 1 1 12 2519 1 1 5 GLY O O -5.385 -4.129 -3.185 1.00 . A A . 5 GLY O 1 1 12 2520 1 1 6 LEU C C -3.015 -0.974 -3.230 1.00 . A A . 6 LEU C 1 1 12 2521 1 1 6 LEU CA C -3.784 -2.025 -4.027 1.00 . A A . 6 LEU CA 1 1 12 2522 1 1 6 LEU CB C -3.526 -1.832 -5.525 1.00 . A A . 6 LEU CB 1 1 12 2523 1 1 6 LEU CD1 C -5.669 -2.862 -6.344 1.00 . A A . 6 LEU CD1 1 1 12 2524 1 1 6 LEU CD2 C -3.706 -2.667 -7.882 1.00 . A A . 6 LEU CD2 1 1 12 2525 1 1 6 LEU CG C -4.150 -2.887 -6.444 1.00 . A A . 6 LEU CG 1 1 12 2526 1 1 6 LEU H H -5.676 -1.094 -3.838 1.00 . A A . 6 LEU H 1 1 12 2527 1 1 6 LEU HA H -3.436 -3.004 -3.734 1.00 . A A . 6 LEU HA 1 1 12 2528 1 1 6 LEU HB2 H -3.910 -0.864 -5.811 1.00 . A A . 6 LEU HB2 1 1 12 2529 1 1 6 LEU HB3 H -2.458 -1.835 -5.687 1.00 . A A . 6 LEU HB3 1 1 12 2530 1 1 6 LEU HD11 H -6.001 -3.674 -5.713 1.00 . A A . 6 LEU HD11 1 1 12 2531 1 1 6 LEU HD12 H -6.097 -2.976 -7.330 1.00 . A A . 6 LEU HD12 1 1 12 2532 1 1 6 LEU HD13 H -5.988 -1.922 -5.921 1.00 . A A . 6 LEU HD13 1 1 12 2533 1 1 6 LEU HD21 H -4.502 -2.952 -8.553 1.00 . A A . 6 LEU HD21 1 1 12 2534 1 1 6 LEU HD22 H -2.831 -3.266 -8.084 1.00 . A A . 6 LEU HD22 1 1 12 2535 1 1 6 LEU HD23 H -3.468 -1.623 -8.030 1.00 . A A . 6 LEU HD23 1 1 12 2536 1 1 6 LEU HG H -3.813 -3.866 -6.136 1.00 . A A . 6 LEU HG 1 1 12 2537 1 1 6 LEU N N -5.210 -1.952 -3.737 1.00 . A A . 6 LEU N 1 1 12 2538 1 1 6 LEU O O -1.988 -0.467 -3.682 1.00 . A A . 6 LEU O 1 1 12 2539 1 1 7 ALA C C -2.104 -0.321 -0.051 1.00 . A A . 7 ALA C 1 1 12 2540 1 1 7 ALA CA C -2.883 0.339 -1.185 1.00 . A A . 7 ALA CA 1 1 12 2541 1 1 7 ALA CB C -3.925 1.288 -0.622 1.00 . A A . 7 ALA CB 1 1 12 2542 1 1 7 ALA H H -4.343 -1.089 -1.741 1.00 . A A . 7 ALA H 1 1 12 2543 1 1 7 ALA HA H -2.199 0.915 -1.792 1.00 . A A . 7 ALA HA 1 1 12 2544 1 1 7 ALA HB1 H -3.532 1.769 0.260 1.00 . A A . 7 ALA HB1 1 1 12 2545 1 1 7 ALA HB2 H -4.814 0.732 -0.364 1.00 . A A . 7 ALA HB2 1 1 12 2546 1 1 7 ALA HB3 H -4.170 2.037 -1.362 1.00 . A A . 7 ALA HB3 1 1 12 2547 1 1 7 ALA N N -3.521 -0.651 -2.045 1.00 . A A . 7 ALA N 1 1 12 2548 1 1 7 ALA O O -1.730 0.337 0.919 1.00 . A A . 7 ALA O 1 1 12 2549 1 1 8 TRP C C 0.236 -2.793 0.298 1.00 . A A . 8 TRP C 1 1 12 2550 1 1 8 TRP CA C -1.124 -2.363 0.832 1.00 . A A . 8 TRP CA 1 1 12 2551 1 1 8 TRP CB C -1.899 -3.610 1.254 1.00 . A A . 8 TRP CB 1 1 12 2552 1 1 8 TRP CD1 C -3.123 -4.386 -0.860 1.00 . A A . 8 TRP CD1 1 1 12 2553 1 1 8 TRP CD2 C -1.423 -5.702 -0.239 1.00 . A A . 8 TRP CD2 1 1 12 2554 1 1 8 TRP CE2 C -2.004 -6.240 -1.403 1.00 . A A . 8 TRP CE2 1 1 12 2555 1 1 8 TRP CE3 C -0.329 -6.356 0.332 1.00 . A A . 8 TRP CE3 1 1 12 2556 1 1 8 TRP CG C -2.169 -4.531 0.105 1.00 . A A . 8 TRP CG 1 1 12 2557 1 1 8 TRP CH2 C -0.446 -8.015 -1.427 1.00 . A A . 8 TRP CH2 1 1 12 2558 1 1 8 TRP CZ2 C -1.523 -7.400 -2.006 1.00 . A A . 8 TRP CZ2 1 1 12 2559 1 1 8 TRP CZ3 C 0.151 -7.503 -0.269 1.00 . A A . 8 TRP CZ3 1 1 12 2560 1 1 8 TRP H H -2.179 -2.091 -0.977 1.00 . A A . 8 TRP H 1 1 12 2561 1 1 8 TRP HA H -0.983 -1.722 1.689 1.00 . A A . 8 TRP HA 1 1 12 2562 1 1 8 TRP HB2 H -1.326 -4.153 1.994 1.00 . A A . 8 TRP HB2 1 1 12 2563 1 1 8 TRP HB3 H -2.849 -3.312 1.678 1.00 . A A . 8 TRP HB3 1 1 12 2564 1 1 8 TRP HD1 H -3.847 -3.585 -0.885 1.00 . A A . 8 TRP HD1 1 1 12 2565 1 1 8 TRP HE1 H -3.633 -5.552 -2.531 1.00 . A A . 8 TRP HE1 1 1 12 2566 1 1 8 TRP HE3 H 0.144 -5.975 1.226 1.00 . A A . 8 TRP HE3 1 1 12 2567 1 1 8 TRP HH2 H -0.039 -8.913 -1.865 1.00 . A A . 8 TRP HH2 1 1 12 2568 1 1 8 TRP HZ2 H -1.972 -7.807 -2.901 1.00 . A A . 8 TRP HZ2 1 1 12 2569 1 1 8 TRP HZ3 H 1.001 -8.016 0.156 1.00 . A A . 8 TRP HZ3 1 1 12 2570 1 1 8 TRP N N -1.861 -1.620 -0.181 1.00 . A A . 8 TRP N 1 1 12 2571 1 1 8 TRP NE1 N -3.046 -5.424 -1.759 1.00 . A A . 8 TRP NE1 1 1 12 2572 1 1 8 TRP O O 1.237 -2.774 1.015 1.00 . A A . 8 TRP O 1 1 12 2573 1 1 9 ILE C C 2.616 -2.635 -1.492 1.00 . A A . 9 ILE C 1 1 12 2574 1 1 9 ILE CA C 1.480 -3.654 -1.610 1.00 . A A . 9 ILE CA 1 1 12 2575 1 1 9 ILE CB C 1.247 -4.048 -3.090 1.00 . A A . 9 ILE CB 1 1 12 2576 1 1 9 ILE CD1 C 3.531 -3.334 -4.039 1.00 . A A . 9 ILE CD1 1 1 12 2577 1 1 9 ILE CG1 C 2.562 -4.470 -3.760 1.00 . A A . 9 ILE CG1 1 1 12 2578 1 1 9 ILE CG2 C 0.567 -2.930 -3.865 1.00 . A A . 9 ILE CG2 1 1 12 2579 1 1 9 ILE H H -0.583 -3.196 -1.480 1.00 . A A . 9 ILE H 1 1 12 2580 1 1 9 ILE HA H 1.788 -4.547 -1.085 1.00 . A A . 9 ILE HA 1 1 12 2581 1 1 9 ILE HB H 0.576 -4.896 -3.097 1.00 . A A . 9 ILE HB 1 1 12 2582 1 1 9 ILE HD11 H 3.856 -3.385 -5.067 1.00 . A A . 9 ILE HD11 1 1 12 2583 1 1 9 ILE HD12 H 4.387 -3.424 -3.388 1.00 . A A . 9 ILE HD12 1 1 12 2584 1 1 9 ILE HD13 H 3.043 -2.389 -3.864 1.00 . A A . 9 ILE HD13 1 1 12 2585 1 1 9 ILE HG12 H 3.068 -5.164 -3.107 1.00 . A A . 9 ILE HG12 1 1 12 2586 1 1 9 ILE HG13 H 2.342 -4.959 -4.699 1.00 . A A . 9 ILE HG13 1 1 12 2587 1 1 9 ILE HG21 H 1.294 -2.187 -4.146 1.00 . A A . 9 ILE HG21 1 1 12 2588 1 1 9 ILE HG22 H -0.194 -2.475 -3.249 1.00 . A A . 9 ILE HG22 1 1 12 2589 1 1 9 ILE HG23 H 0.111 -3.338 -4.755 1.00 . A A . 9 ILE HG23 1 1 12 2590 1 1 9 ILE N N 0.254 -3.197 -0.969 1.00 . A A . 9 ILE N 1 1 12 2591 1 1 9 ILE O O 3.751 -3.021 -1.211 1.00 . A A . 9 ILE O 1 1 12 2592 1 1 10 PRO C C 4.309 -0.540 -0.385 1.00 . A A . 10 PRO C 1 1 12 2593 1 1 10 PRO CA C 3.389 -0.294 -1.578 1.00 . A A . 10 PRO CA 1 1 12 2594 1 1 10 PRO CB C 2.593 1.012 -1.395 1.00 . A A . 10 PRO CB 1 1 12 2595 1 1 10 PRO CD C 1.059 -0.724 -2.016 1.00 . A A . 10 PRO CD 1 1 12 2596 1 1 10 PRO CG C 1.153 0.608 -1.332 1.00 . A A . 10 PRO CG 1 1 12 2597 1 1 10 PRO HA H 3.981 -0.235 -2.479 1.00 . A A . 10 PRO HA 1 1 12 2598 1 1 10 PRO HB2 H 2.903 1.498 -0.481 1.00 . A A . 10 PRO HB2 1 1 12 2599 1 1 10 PRO HB3 H 2.781 1.667 -2.233 1.00 . A A . 10 PRO HB3 1 1 12 2600 1 1 10 PRO HD2 H 0.242 -1.299 -1.615 1.00 . A A . 10 PRO HD2 1 1 12 2601 1 1 10 PRO HD3 H 0.952 -0.598 -3.084 1.00 . A A . 10 PRO HD3 1 1 12 2602 1 1 10 PRO HG2 H 0.844 0.520 -0.302 1.00 . A A . 10 PRO HG2 1 1 12 2603 1 1 10 PRO HG3 H 0.545 1.338 -1.846 1.00 . A A . 10 PRO HG3 1 1 12 2604 1 1 10 PRO N N 2.353 -1.324 -1.687 1.00 . A A . 10 PRO N 1 1 12 2605 1 1 10 PRO O O 5.482 -0.170 -0.400 1.00 . A A . 10 PRO O 1 1 12 2606 1 1 11 TYR C C 5.774 -2.295 1.499 1.00 . A A . 11 TYR C 1 1 12 2607 1 1 11 TYR CA C 4.513 -1.511 1.843 1.00 . A A . 11 TYR CA 1 1 12 2608 1 1 11 TYR CB C 3.639 -2.337 2.790 1.00 . A A . 11 TYR CB 1 1 12 2609 1 1 11 TYR CD1 C 2.122 -0.305 2.907 1.00 . A A . 11 TYR CD1 1 1 12 2610 1 1 11 TYR CD2 C 1.506 -2.251 4.140 1.00 . A A . 11 TYR CD2 1 1 12 2611 1 1 11 TYR CE1 C 0.992 0.345 3.365 1.00 . A A . 11 TYR CE1 1 1 12 2612 1 1 11 TYR CE2 C 0.374 -1.606 4.600 1.00 . A A . 11 TYR CE2 1 1 12 2613 1 1 11 TYR CG C 2.400 -1.616 3.287 1.00 . A A . 11 TYR CG 1 1 12 2614 1 1 11 TYR CZ C 0.122 -0.309 4.210 1.00 . A A . 11 TYR CZ 1 1 12 2615 1 1 11 TYR H H 2.821 -1.460 0.583 1.00 . A A . 11 TYR H 1 1 12 2616 1 1 11 TYR HA H 4.790 -0.589 2.330 1.00 . A A . 11 TYR HA 1 1 12 2617 1 1 11 TYR HB2 H 3.314 -3.230 2.274 1.00 . A A . 11 TYR HB2 1 1 12 2618 1 1 11 TYR HB3 H 4.226 -2.622 3.652 1.00 . A A . 11 TYR HB3 1 1 12 2619 1 1 11 TYR HD1 H 2.803 0.206 2.244 1.00 . A A . 11 TYR HD1 1 1 12 2620 1 1 11 TYR HD2 H 1.705 -3.268 4.445 1.00 . A A . 11 TYR HD2 1 1 12 2621 1 1 11 TYR HE1 H 0.795 1.363 3.058 1.00 . A A . 11 TYR HE1 1 1 12 2622 1 1 11 TYR HE2 H -0.308 -2.118 5.263 1.00 . A A . 11 TYR HE2 1 1 12 2623 1 1 11 TYR HH H -0.939 0.462 5.616 1.00 . A A . 11 TYR HH 1 1 12 2624 1 1 11 TYR N N 3.760 -1.186 0.641 1.00 . A A . 11 TYR N 1 1 12 2625 1 1 11 TYR O O 6.832 -2.084 2.093 1.00 . A A . 11 TYR O 1 1 12 2626 1 1 11 TYR OH O -1.005 0.337 4.666 1.00 . A A . 11 TYR OH 1 1 12 2627 1 1 12 PHE C C 7.704 -3.243 -0.827 1.00 . A A . 12 PHE C 1 1 12 2628 1 1 12 PHE CA C 6.786 -4.020 0.110 1.00 . A A . 12 PHE CA 1 1 12 2629 1 1 12 PHE CB C 6.298 -5.300 -0.577 1.00 . A A . 12 PHE CB 1 1 12 2630 1 1 12 PHE CD1 C 4.348 -5.819 0.927 1.00 . A A . 12 PHE CD1 1 1 12 2631 1 1 12 PHE CD2 C 6.005 -7.500 0.591 1.00 . A A . 12 PHE CD2 1 1 12 2632 1 1 12 PHE CE1 C 3.649 -6.671 1.761 1.00 . A A . 12 PHE CE1 1 1 12 2633 1 1 12 PHE CE2 C 5.312 -8.356 1.425 1.00 . A A . 12 PHE CE2 1 1 12 2634 1 1 12 PHE CG C 5.534 -6.224 0.332 1.00 . A A . 12 PHE CG 1 1 12 2635 1 1 12 PHE CZ C 4.133 -7.941 2.011 1.00 . A A . 12 PHE CZ 1 1 12 2636 1 1 12 PHE H H 4.784 -3.323 0.097 1.00 . A A . 12 PHE H 1 1 12 2637 1 1 12 PHE HA H 7.343 -4.291 0.994 1.00 . A A . 12 PHE HA 1 1 12 2638 1 1 12 PHE HB2 H 5.648 -5.033 -1.398 1.00 . A A . 12 PHE HB2 1 1 12 2639 1 1 12 PHE HB3 H 7.153 -5.841 -0.959 1.00 . A A . 12 PHE HB3 1 1 12 2640 1 1 12 PHE HD1 H 3.967 -4.829 0.733 1.00 . A A . 12 PHE HD1 1 1 12 2641 1 1 12 PHE HD2 H 6.928 -7.827 0.133 1.00 . A A . 12 PHE HD2 1 1 12 2642 1 1 12 PHE HE1 H 2.728 -6.344 2.220 1.00 . A A . 12 PHE HE1 1 1 12 2643 1 1 12 PHE HE2 H 5.691 -9.349 1.618 1.00 . A A . 12 PHE HE2 1 1 12 2644 1 1 12 PHE HZ H 3.588 -8.609 2.663 1.00 . A A . 12 PHE HZ 1 1 12 2645 1 1 12 PHE N N 5.654 -3.203 0.534 1.00 . A A . 12 PHE N 1 1 12 2646 1 1 12 PHE O O 8.919 -3.450 -0.830 1.00 . A A . 12 PHE O 1 1 12 2647 1 1 13 GLY C C 7.536 -1.814 -3.998 1.00 . A A . 13 GLY C 1 1 12 2648 1 1 13 GLY CA C 7.911 -1.559 -2.548 1.00 . A A . 13 GLY CA 1 1 12 2649 1 1 13 GLY H H 6.151 -2.226 -1.574 1.00 . A A . 13 GLY H 1 1 12 2650 1 1 13 GLY HA2 H 7.764 -0.512 -2.325 1.00 . A A . 13 GLY HA2 1 1 12 2651 1 1 13 GLY HA3 H 8.955 -1.799 -2.411 1.00 . A A . 13 GLY HA3 1 1 12 2652 1 1 13 GLY N N 7.123 -2.351 -1.621 1.00 . A A . 13 GLY N 1 1 12 2653 1 1 13 GLY O O 7.969 -2.804 -4.585 1.00 . A A . 13 GLY O 1 1 12 2654 1 1 14 PRO C C 7.471 -0.995 -6.974 1.00 . A A . 14 PRO C 1 1 12 2655 1 1 14 PRO CA C 6.299 -1.079 -6.002 1.00 . A A . 14 PRO CA 1 1 12 2656 1 1 14 PRO CB C 5.337 0.099 -6.223 1.00 . A A . 14 PRO CB 1 1 12 2657 1 1 14 PRO CD C 6.157 0.278 -3.988 1.00 . A A . 14 PRO CD 1 1 12 2658 1 1 14 PRO CG C 4.967 0.564 -4.855 1.00 . A A . 14 PRO CG 1 1 12 2659 1 1 14 PRO HA H 5.773 -2.010 -6.157 1.00 . A A . 14 PRO HA 1 1 12 2660 1 1 14 PRO HB2 H 5.841 0.877 -6.781 1.00 . A A . 14 PRO HB2 1 1 12 2661 1 1 14 PRO HB3 H 4.469 -0.241 -6.771 1.00 . A A . 14 PRO HB3 1 1 12 2662 1 1 14 PRO HD2 H 6.859 1.098 -4.024 1.00 . A A . 14 PRO HD2 1 1 12 2663 1 1 14 PRO HD3 H 5.850 0.083 -2.973 1.00 . A A . 14 PRO HD3 1 1 12 2664 1 1 14 PRO HG2 H 4.761 1.625 -4.871 1.00 . A A . 14 PRO HG2 1 1 12 2665 1 1 14 PRO HG3 H 4.105 0.019 -4.502 1.00 . A A . 14 PRO HG3 1 1 12 2666 1 1 14 PRO N N 6.725 -0.929 -4.606 1.00 . A A . 14 PRO N 1 1 12 2667 1 1 14 PRO O O 7.844 0.092 -7.418 1.00 . A A . 14 PRO O 1 1 12 2668 1 1 15 ALA C C 9.147 -3.475 -9.056 1.00 . A A . 15 ALA C 1 1 12 2669 1 1 15 ALA CA C 9.179 -2.199 -8.219 1.00 . A A . 15 ALA CA 1 1 12 2670 1 1 15 ALA CB C 10.487 -2.102 -7.450 1.00 . A A . 15 ALA CB 1 1 12 2671 1 1 15 ALA H H 7.707 -2.979 -6.913 1.00 . A A . 15 ALA H 1 1 12 2672 1 1 15 ALA HA H 9.113 -1.346 -8.879 1.00 . A A . 15 ALA HA 1 1 12 2673 1 1 15 ALA HB1 H 11.208 -1.546 -8.031 1.00 . A A . 15 ALA HB1 1 1 12 2674 1 1 15 ALA HB2 H 10.869 -3.095 -7.259 1.00 . A A . 15 ALA HB2 1 1 12 2675 1 1 15 ALA HB3 H 10.316 -1.597 -6.510 1.00 . A A . 15 ALA HB3 1 1 12 2676 1 1 15 ALA N N 8.049 -2.145 -7.301 1.00 . A A . 15 ALA N 1 1 12 2677 1 1 15 ALA O O 9.926 -4.399 -8.827 1.00 . A A . 15 ALA O 1 1 12 2678 1 1 16 ALA C C 7.798 -5.936 -10.093 1.00 . A A . 16 ALA C 1 1 12 2679 1 1 16 ALA CA C 8.107 -4.678 -10.898 1.00 . A A . 16 ALA CA 1 1 12 2680 1 1 16 ALA CB C 9.375 -4.871 -11.716 1.00 . A A . 16 ALA CB 1 1 12 2681 1 1 16 ALA H H 7.647 -2.749 -10.161 1.00 . A A . 16 ALA H 1 1 12 2682 1 1 16 ALA HA H 7.291 -4.492 -11.581 1.00 . A A . 16 ALA HA 1 1 12 2683 1 1 16 ALA HB1 H 9.406 -4.139 -12.510 1.00 . A A . 16 ALA HB1 1 1 12 2684 1 1 16 ALA HB2 H 9.382 -5.864 -12.142 1.00 . A A . 16 ALA HB2 1 1 12 2685 1 1 16 ALA HB3 H 10.238 -4.747 -11.078 1.00 . A A . 16 ALA HB3 1 1 12 2686 1 1 16 ALA N N 8.241 -3.517 -10.027 1.00 . A A . 16 ALA N 1 1 12 2687 1 1 16 ALA O O 7.596 -5.817 -8.866 1.00 . A A . 16 ALA O 1 1 12 2688 1 1 16 ALA OXT O 7.762 -7.030 -10.695 1.00 . A A . 16 ALA OXT 1 1 13 2689 1 1 1 GLY C C -7.519 0.817 0.683 1.00 . A A . 1 GLY C 1 1 13 2690 1 1 1 GLY CA C -6.512 -0.207 0.198 1.00 . A A . 1 GLY CA 1 1 13 2691 1 1 1 GLY H1 H -4.964 0.822 1.150 1.00 . A A . 1 GLY H1 1 1 13 2692 1 1 1 GLY H2 H -4.481 -0.632 0.434 1.00 . A A . 1 GLY H2 1 1 13 2693 1 1 1 GLY H3 H -5.357 -0.653 1.880 1.00 . A A . 1 GLY H3 1 1 13 2694 1 1 1 GLY HA2 H -6.296 -0.017 -0.843 1.00 . A A . 1 GLY HA2 1 1 13 2695 1 1 1 GLY HA3 H -6.944 -1.192 0.291 1.00 . A A . 1 GLY HA3 1 1 13 2696 1 1 1 GLY N N -5.240 -0.165 0.969 1.00 . A A . 1 GLY N 1 1 13 2697 1 1 1 GLY O O -8.654 0.473 1.017 1.00 . A A . 1 GLY O 1 1 13 2698 1 1 2 ALA C C -8.197 4.182 0.065 1.00 . A A . 2 ALA C 1 1 13 2699 1 1 2 ALA CA C -7.978 3.158 1.172 1.00 . A A . 2 ALA CA 1 1 13 2700 1 1 2 ALA CB C -7.395 3.827 2.407 1.00 . A A . 2 ALA CB 1 1 13 2701 1 1 2 ALA H H -6.189 2.290 0.445 1.00 . A A . 2 ALA H 1 1 13 2702 1 1 2 ALA HA H -8.931 2.725 1.442 1.00 . A A . 2 ALA HA 1 1 13 2703 1 1 2 ALA HB1 H -8.155 4.431 2.882 1.00 . A A . 2 ALA HB1 1 1 13 2704 1 1 2 ALA HB2 H -6.565 4.455 2.119 1.00 . A A . 2 ALA HB2 1 1 13 2705 1 1 2 ALA HB3 H -7.052 3.073 3.099 1.00 . A A . 2 ALA HB3 1 1 13 2706 1 1 2 ALA N N -7.105 2.078 0.724 1.00 . A A . 2 ALA N 1 1 13 2707 1 1 2 ALA O O -8.292 5.381 0.327 1.00 . A A . 2 ALA O 1 1 13 2708 1 1 3 ALA C C -8.641 3.776 -3.604 1.00 . A A . 3 ALA C 1 1 13 2709 1 1 3 ALA CA C -8.482 4.580 -2.318 1.00 . A A . 3 ALA CA 1 1 13 2710 1 1 3 ALA CB C -7.329 5.562 -2.446 1.00 . A A . 3 ALA CB 1 1 13 2711 1 1 3 ALA H H -8.191 2.738 -1.318 1.00 . A A . 3 ALA H 1 1 13 2712 1 1 3 ALA HA H -9.387 5.145 -2.145 1.00 . A A . 3 ALA HA 1 1 13 2713 1 1 3 ALA HB1 H -6.838 5.667 -1.489 1.00 . A A . 3 ALA HB1 1 1 13 2714 1 1 3 ALA HB2 H -7.705 6.523 -2.763 1.00 . A A . 3 ALA HB2 1 1 13 2715 1 1 3 ALA HB3 H -6.621 5.194 -3.174 1.00 . A A . 3 ALA HB3 1 1 13 2716 1 1 3 ALA N N -8.275 3.703 -1.172 1.00 . A A . 3 ALA N 1 1 13 2717 1 1 3 ALA O O -9.530 4.047 -4.411 1.00 . A A . 3 ALA O 1 1 13 2718 1 1 4 ILE C C -8.088 0.489 -4.610 1.00 . A A . 4 ILE C 1 1 13 2719 1 1 4 ILE CA C -7.812 1.945 -4.976 1.00 . A A . 4 ILE CA 1 1 13 2720 1 1 4 ILE CB C -6.483 2.031 -5.758 1.00 . A A . 4 ILE CB 1 1 13 2721 1 1 4 ILE CD1 C -5.262 1.194 -7.829 1.00 . A A . 4 ILE CD1 1 1 13 2722 1 1 4 ILE CG1 C -6.519 1.123 -6.990 1.00 . A A . 4 ILE CG1 1 1 13 2723 1 1 4 ILE CG2 C -5.311 1.665 -4.858 1.00 . A A . 4 ILE CG2 1 1 13 2724 1 1 4 ILE H H -7.084 2.621 -3.109 1.00 . A A . 4 ILE H 1 1 13 2725 1 1 4 ILE HA H -8.605 2.303 -5.614 1.00 . A A . 4 ILE HA 1 1 13 2726 1 1 4 ILE HB H -6.350 3.054 -6.080 1.00 . A A . 4 ILE HB 1 1 13 2727 1 1 4 ILE HD11 H -4.534 1.817 -7.333 1.00 . A A . 4 ILE HD11 1 1 13 2728 1 1 4 ILE HD12 H -5.497 1.615 -8.795 1.00 . A A . 4 ILE HD12 1 1 13 2729 1 1 4 ILE HD13 H -4.858 0.200 -7.956 1.00 . A A . 4 ILE HD13 1 1 13 2730 1 1 4 ILE HG12 H -6.642 0.099 -6.670 1.00 . A A . 4 ILE HG12 1 1 13 2731 1 1 4 ILE HG13 H -7.354 1.404 -7.615 1.00 . A A . 4 ILE HG13 1 1 13 2732 1 1 4 ILE HG21 H -4.620 2.494 -4.813 1.00 . A A . 4 ILE HG21 1 1 13 2733 1 1 4 ILE HG22 H -4.806 0.797 -5.257 1.00 . A A . 4 ILE HG22 1 1 13 2734 1 1 4 ILE HG23 H -5.673 1.445 -3.865 1.00 . A A . 4 ILE HG23 1 1 13 2735 1 1 4 ILE N N -7.771 2.788 -3.788 1.00 . A A . 4 ILE N 1 1 13 2736 1 1 4 ILE O O -8.415 -0.326 -5.475 1.00 . A A . 4 ILE O 1 1 13 2737 1 1 5 GLY C C -6.931 -2.057 -3.011 1.00 . A A . 5 GLY C 1 1 13 2738 1 1 5 GLY CA C -8.175 -1.200 -2.887 1.00 . A A . 5 GLY CA 1 1 13 2739 1 1 5 GLY H H -7.677 0.844 -2.684 1.00 . A A . 5 GLY H 1 1 13 2740 1 1 5 GLY HA2 H -8.491 -1.183 -1.853 1.00 . A A . 5 GLY HA2 1 1 13 2741 1 1 5 GLY HA3 H -8.961 -1.635 -3.486 1.00 . A A . 5 GLY HA3 1 1 13 2742 1 1 5 GLY N N -7.947 0.161 -3.331 1.00 . A A . 5 GLY N 1 1 13 2743 1 1 5 GLY O O -6.932 -3.224 -2.618 1.00 . A A . 5 GLY O 1 1 13 2744 1 1 6 LEU C C -3.437 -1.375 -3.186 1.00 . A A . 6 LEU C 1 1 13 2745 1 1 6 LEU CA C -4.605 -2.194 -3.727 1.00 . A A . 6 LEU CA 1 1 13 2746 1 1 6 LEU CB C -4.368 -2.526 -5.201 1.00 . A A . 6 LEU CB 1 1 13 2747 1 1 6 LEU CD1 C -5.526 -4.747 -5.070 1.00 . A A . 6 LEU CD1 1 1 13 2748 1 1 6 LEU CD2 C -6.767 -2.743 -5.919 1.00 . A A . 6 LEU CD2 1 1 13 2749 1 1 6 LEU CG C -5.416 -3.441 -5.842 1.00 . A A . 6 LEU CG 1 1 13 2750 1 1 6 LEU H H -5.923 -0.539 -3.846 1.00 . A A . 6 LEU H 1 1 13 2751 1 1 6 LEU HA H -4.672 -3.112 -3.166 1.00 . A A . 6 LEU HA 1 1 13 2752 1 1 6 LEU HB2 H -4.341 -1.601 -5.756 1.00 . A A . 6 LEU HB2 1 1 13 2753 1 1 6 LEU HB3 H -3.405 -3.006 -5.288 1.00 . A A . 6 LEU HB3 1 1 13 2754 1 1 6 LEU HD11 H -6.171 -4.606 -4.215 1.00 . A A . 6 LEU HD11 1 1 13 2755 1 1 6 LEU HD12 H -4.546 -5.051 -4.736 1.00 . A A . 6 LEU HD12 1 1 13 2756 1 1 6 LEU HD13 H -5.941 -5.510 -5.713 1.00 . A A . 6 LEU HD13 1 1 13 2757 1 1 6 LEU HD21 H -6.638 -1.686 -5.741 1.00 . A A . 6 LEU HD21 1 1 13 2758 1 1 6 LEU HD22 H -7.429 -3.156 -5.173 1.00 . A A . 6 LEU HD22 1 1 13 2759 1 1 6 LEU HD23 H -7.193 -2.893 -6.899 1.00 . A A . 6 LEU HD23 1 1 13 2760 1 1 6 LEU HG H -5.104 -3.677 -6.848 1.00 . A A . 6 LEU HG 1 1 13 2761 1 1 6 LEU N N -5.864 -1.475 -3.555 1.00 . A A . 6 LEU N 1 1 13 2762 1 1 6 LEU O O -2.302 -1.519 -3.639 1.00 . A A . 6 LEU O 1 1 13 2763 1 1 7 ALA C C -2.112 -0.355 -0.372 1.00 . A A . 7 ALA C 1 1 13 2764 1 1 7 ALA CA C -2.703 0.321 -1.603 1.00 . A A . 7 ALA CA 1 1 13 2765 1 1 7 ALA CB C -3.283 1.677 -1.236 1.00 . A A . 7 ALA CB 1 1 13 2766 1 1 7 ALA H H -4.647 -0.454 -1.893 1.00 . A A . 7 ALA H 1 1 13 2767 1 1 7 ALA HA H -1.919 0.474 -2.330 1.00 . A A . 7 ALA HA 1 1 13 2768 1 1 7 ALA HB1 H -3.800 2.090 -2.090 1.00 . A A . 7 ALA HB1 1 1 13 2769 1 1 7 ALA HB2 H -2.485 2.341 -0.943 1.00 . A A . 7 ALA HB2 1 1 13 2770 1 1 7 ALA HB3 H -3.976 1.563 -0.417 1.00 . A A . 7 ALA HB3 1 1 13 2771 1 1 7 ALA N N -3.725 -0.520 -2.212 1.00 . A A . 7 ALA N 1 1 13 2772 1 1 7 ALA O O -1.995 0.252 0.692 1.00 . A A . 7 ALA O 1 1 13 2773 1 1 8 TRP C C 0.252 -2.831 0.173 1.00 . A A . 8 TRP C 1 1 13 2774 1 1 8 TRP CA C -1.154 -2.394 0.552 1.00 . A A . 8 TRP CA 1 1 13 2775 1 1 8 TRP CB C -1.995 -3.637 0.827 1.00 . A A . 8 TRP CB 1 1 13 2776 1 1 8 TRP CD1 C -2.966 -4.322 -1.446 1.00 . A A . 8 TRP CD1 1 1 13 2777 1 1 8 TRP CD2 C -1.342 -5.665 -0.689 1.00 . A A . 8 TRP CD2 1 1 13 2778 1 1 8 TRP CE2 C -1.781 -6.151 -1.933 1.00 . A A . 8 TRP CE2 1 1 13 2779 1 1 8 TRP CE3 C -0.317 -6.341 -0.023 1.00 . A A . 8 TRP CE3 1 1 13 2780 1 1 8 TRP CG C -2.129 -4.510 -0.382 1.00 . A A . 8 TRP CG 1 1 13 2781 1 1 8 TRP CH2 C -0.221 -7.922 -1.856 1.00 . A A . 8 TRP CH2 1 1 13 2782 1 1 8 TRP CZ2 C -1.228 -7.283 -2.528 1.00 . A A . 8 TRP CZ2 1 1 13 2783 1 1 8 TRP CZ3 C 0.234 -7.461 -0.614 1.00 . A A . 8 TRP CZ3 1 1 13 2784 1 1 8 TRP H H -1.855 -2.041 -1.412 1.00 . A A . 8 TRP H 1 1 13 2785 1 1 8 TRP HA H -1.116 -1.778 1.437 1.00 . A A . 8 TRP HA 1 1 13 2786 1 1 8 TRP HB2 H -1.529 -4.218 1.613 1.00 . A A . 8 TRP HB2 1 1 13 2787 1 1 8 TRP HB3 H -2.987 -3.336 1.137 1.00 . A A . 8 TRP HB3 1 1 13 2788 1 1 8 TRP HD1 H -3.685 -3.522 -1.520 1.00 . A A . 8 TRP HD1 1 1 13 2789 1 1 8 TRP HE1 H -3.272 -5.416 -3.213 1.00 . A A . 8 TRP HE1 1 1 13 2790 1 1 8 TRP HE3 H 0.047 -6.000 0.935 1.00 . A A . 8 TRP HE3 1 1 13 2791 1 1 8 TRP HH2 H 0.239 -8.800 -2.282 1.00 . A A . 8 TRP HH2 1 1 13 2792 1 1 8 TRP HZ2 H -1.568 -7.651 -3.483 1.00 . A A . 8 TRP HZ2 1 1 13 2793 1 1 8 TRP HZ3 H 1.032 -7.992 -0.117 1.00 . A A . 8 TRP HZ3 1 1 13 2794 1 1 8 TRP N N -1.739 -1.617 -0.533 1.00 . A A . 8 TRP N 1 1 13 2795 1 1 8 TRP NE1 N -2.779 -5.320 -2.372 1.00 . A A . 8 TRP NE1 1 1 13 2796 1 1 8 TRP O O 1.155 -2.883 1.007 1.00 . A A . 8 TRP O 1 1 13 2797 1 1 9 ILE C C 2.804 -2.593 -1.431 1.00 . A A . 9 ILE C 1 1 13 2798 1 1 9 ILE CA C 1.678 -3.614 -1.636 1.00 . A A . 9 ILE CA 1 1 13 2799 1 1 9 ILE CB C 1.561 -3.961 -3.130 1.00 . A A . 9 ILE CB 1 1 13 2800 1 1 9 ILE CD1 C 2.879 -4.725 -5.155 1.00 . A A . 9 ILE CD1 1 1 13 2801 1 1 9 ILE CG1 C 2.901 -4.460 -3.667 1.00 . A A . 9 ILE CG1 1 1 13 2802 1 1 9 ILE CG2 C 1.070 -2.764 -3.927 1.00 . A A . 9 ILE CG2 1 1 13 2803 1 1 9 ILE H H -0.365 -3.099 -1.704 1.00 . A A . 9 ILE H 1 1 13 2804 1 1 9 ILE HA H 1.944 -4.519 -1.109 1.00 . A A . 9 ILE HA 1 1 13 2805 1 1 9 ILE HB H 0.830 -4.749 -3.232 1.00 . A A . 9 ILE HB 1 1 13 2806 1 1 9 ILE HD11 H 3.644 -4.134 -5.637 1.00 . A A . 9 ILE HD11 1 1 13 2807 1 1 9 ILE HD12 H 1.911 -4.453 -5.551 1.00 . A A . 9 ILE HD12 1 1 13 2808 1 1 9 ILE HD13 H 3.062 -5.773 -5.336 1.00 . A A . 9 ILE HD13 1 1 13 2809 1 1 9 ILE HG12 H 3.662 -3.720 -3.465 1.00 . A A . 9 ILE HG12 1 1 13 2810 1 1 9 ILE HG13 H 3.159 -5.383 -3.168 1.00 . A A . 9 ILE HG13 1 1 13 2811 1 1 9 ILE HG21 H 0.796 -3.082 -4.921 1.00 . A A . 9 ILE HG21 1 1 13 2812 1 1 9 ILE HG22 H 1.854 -2.025 -3.989 1.00 . A A . 9 ILE HG22 1 1 13 2813 1 1 9 ILE HG23 H 0.207 -2.335 -3.437 1.00 . A A . 9 ILE HG23 1 1 13 2814 1 1 9 ILE N N 0.407 -3.159 -1.103 1.00 . A A . 9 ILE N 1 1 13 2815 1 1 9 ILE O O 3.931 -2.986 -1.128 1.00 . A A . 9 ILE O 1 1 13 2816 1 1 10 PRO C C 4.454 -0.547 -0.187 1.00 . A A . 10 PRO C 1 1 13 2817 1 1 10 PRO CA C 3.567 -0.242 -1.385 1.00 . A A . 10 PRO CA 1 1 13 2818 1 1 10 PRO CB C 2.756 1.045 -1.149 1.00 . A A . 10 PRO CB 1 1 13 2819 1 1 10 PRO CD C 1.258 -0.652 -1.924 1.00 . A A . 10 PRO CD 1 1 13 2820 1 1 10 PRO CG C 1.320 0.622 -1.135 1.00 . A A . 10 PRO CG 1 1 13 2821 1 1 10 PRO HA H 4.182 -0.127 -2.266 1.00 . A A . 10 PRO HA 1 1 13 2822 1 1 10 PRO HB2 H 3.043 1.485 -0.204 1.00 . A A . 10 PRO HB2 1 1 13 2823 1 1 10 PRO HB3 H 2.951 1.745 -1.948 1.00 . A A . 10 PRO HB3 1 1 13 2824 1 1 10 PRO HD2 H 0.424 -1.252 -1.606 1.00 . A A . 10 PRO HD2 1 1 13 2825 1 1 10 PRO HD3 H 1.202 -0.442 -2.983 1.00 . A A . 10 PRO HD3 1 1 13 2826 1 1 10 PRO HG2 H 1.002 0.446 -0.119 1.00 . A A . 10 PRO HG2 1 1 13 2827 1 1 10 PRO HG3 H 0.707 1.380 -1.597 1.00 . A A . 10 PRO HG3 1 1 13 2828 1 1 10 PRO N N 2.542 -1.271 -1.578 1.00 . A A . 10 PRO N 1 1 13 2829 1 1 10 PRO O O 5.634 -0.196 -0.162 1.00 . A A . 10 PRO O 1 1 13 2830 1 1 11 TYR C C 5.908 -2.318 1.632 1.00 . A A . 11 TYR C 1 1 13 2831 1 1 11 TYR CA C 4.607 -1.614 2.001 1.00 . A A . 11 TYR CA 1 1 13 2832 1 1 11 TYR CB C 3.743 -2.543 2.854 1.00 . A A . 11 TYR CB 1 1 13 2833 1 1 11 TYR CD1 C 2.130 -0.594 3.072 1.00 . A A . 11 TYR CD1 1 1 13 2834 1 1 11 TYR CD2 C 1.576 -2.648 4.149 1.00 . A A . 11 TYR CD2 1 1 13 2835 1 1 11 TYR CE1 C 0.960 -0.028 3.541 1.00 . A A . 11 TYR CE1 1 1 13 2836 1 1 11 TYR CE2 C 0.405 -2.088 4.622 1.00 . A A . 11 TYR CE2 1 1 13 2837 1 1 11 TYR CG C 2.460 -1.915 3.366 1.00 . A A . 11 TYR CG 1 1 13 2838 1 1 11 TYR CZ C 0.102 -0.778 4.315 1.00 . A A . 11 TYR CZ 1 1 13 2839 1 1 11 TYR H H 2.938 -1.490 0.712 1.00 . A A . 11 TYR H 1 1 13 2840 1 1 11 TYR HA H 4.832 -0.721 2.563 1.00 . A A . 11 TYR HA 1 1 13 2841 1 1 11 TYR HB2 H 3.469 -3.405 2.259 1.00 . A A . 11 TYR HB2 1 1 13 2842 1 1 11 TYR HB3 H 4.317 -2.873 3.708 1.00 . A A . 11 TYR HB3 1 1 13 2843 1 1 11 TYR HD1 H 2.804 -0.008 2.465 1.00 . A A . 11 TYR HD1 1 1 13 2844 1 1 11 TYR HD2 H 1.814 -3.674 4.389 1.00 . A A . 11 TYR HD2 1 1 13 2845 1 1 11 TYR HE1 H 0.724 0.999 3.301 1.00 . A A . 11 TYR HE1 1 1 13 2846 1 1 11 TYR HE2 H -0.269 -2.676 5.229 1.00 . A A . 11 TYR HE2 1 1 13 2847 1 1 11 TYR HH H -1.777 -0.855 4.715 1.00 . A A . 11 TYR HH 1 1 13 2848 1 1 11 TYR N N 3.878 -1.228 0.800 1.00 . A A . 11 TYR N 1 1 13 2849 1 1 11 TYR O O 6.965 -2.031 2.194 1.00 . A A . 11 TYR O 1 1 13 2850 1 1 11 TYR OH O -1.064 -0.216 4.785 1.00 . A A . 11 TYR OH 1 1 13 2851 1 1 12 PHE C C 7.769 -3.200 -0.809 1.00 . A A . 12 PHE C 1 1 13 2852 1 1 12 PHE CA C 6.982 -3.992 0.230 1.00 . A A . 12 PHE CA 1 1 13 2853 1 1 12 PHE CB C 6.551 -5.338 -0.358 1.00 . A A . 12 PHE CB 1 1 13 2854 1 1 12 PHE CD1 C 6.429 -6.620 1.796 1.00 . A A . 12 PHE CD1 1 1 13 2855 1 1 12 PHE CD2 C 4.523 -6.628 0.361 1.00 . A A . 12 PHE CD2 1 1 13 2856 1 1 12 PHE CE1 C 5.758 -7.424 2.696 1.00 . A A . 12 PHE CE1 1 1 13 2857 1 1 12 PHE CE2 C 3.847 -7.432 1.259 1.00 . A A . 12 PHE CE2 1 1 13 2858 1 1 12 PHE CG C 5.820 -6.213 0.619 1.00 . A A . 12 PHE CG 1 1 13 2859 1 1 12 PHE CZ C 4.465 -7.831 2.428 1.00 . A A . 12 PHE CZ 1 1 13 2860 1 1 12 PHE H H 4.940 -3.423 0.274 1.00 . A A . 12 PHE H 1 1 13 2861 1 1 12 PHE HA H 7.614 -4.170 1.086 1.00 . A A . 12 PHE HA 1 1 13 2862 1 1 12 PHE HB2 H 5.897 -5.162 -1.202 1.00 . A A . 12 PHE HB2 1 1 13 2863 1 1 12 PHE HB3 H 7.431 -5.873 -0.692 1.00 . A A . 12 PHE HB3 1 1 13 2864 1 1 12 PHE HD1 H 7.439 -6.302 2.007 1.00 . A A . 12 PHE HD1 1 1 13 2865 1 1 12 PHE HD2 H 4.039 -6.318 -0.553 1.00 . A A . 12 PHE HD2 1 1 13 2866 1 1 12 PHE HE1 H 6.243 -7.734 3.610 1.00 . A A . 12 PHE HE1 1 1 13 2867 1 1 12 PHE HE2 H 2.837 -7.749 1.047 1.00 . A A . 12 PHE HE2 1 1 13 2868 1 1 12 PHE HZ H 3.939 -8.460 3.131 1.00 . A A . 12 PHE HZ 1 1 13 2869 1 1 12 PHE N N 5.816 -3.242 0.682 1.00 . A A . 12 PHE N 1 1 13 2870 1 1 12 PHE O O 8.990 -3.322 -0.903 1.00 . A A . 12 PHE O 1 1 13 2871 1 1 13 GLY C C 6.797 -0.505 -3.161 1.00 . A A . 13 GLY C 1 1 13 2872 1 1 13 GLY CA C 7.709 -1.585 -2.606 1.00 . A A . 13 GLY CA 1 1 13 2873 1 1 13 GLY H H 6.090 -2.330 -1.465 1.00 . A A . 13 GLY H 1 1 13 2874 1 1 13 GLY HA2 H 8.585 -1.119 -2.181 1.00 . A A . 13 GLY HA2 1 1 13 2875 1 1 13 GLY HA3 H 8.016 -2.231 -3.415 1.00 . A A . 13 GLY HA3 1 1 13 2876 1 1 13 GLY N N 7.061 -2.386 -1.585 1.00 . A A . 13 GLY N 1 1 13 2877 1 1 13 GLY O O 6.020 -0.762 -4.082 1.00 . A A . 13 GLY O 1 1 13 2878 1 1 14 PRO C C 6.151 2.068 -4.581 1.00 . A A . 14 PRO C 1 1 13 2879 1 1 14 PRO CA C 6.034 1.838 -3.078 1.00 . A A . 14 PRO CA 1 1 13 2880 1 1 14 PRO CB C 6.587 3.040 -2.308 1.00 . A A . 14 PRO CB 1 1 13 2881 1 1 14 PRO CD C 7.767 1.121 -1.518 1.00 . A A . 14 PRO CD 1 1 13 2882 1 1 14 PRO CG C 7.221 2.455 -1.095 1.00 . A A . 14 PRO CG 1 1 13 2883 1 1 14 PRO HA H 4.996 1.686 -2.819 1.00 . A A . 14 PRO HA 1 1 13 2884 1 1 14 PRO HB2 H 7.310 3.561 -2.922 1.00 . A A . 14 PRO HB2 1 1 13 2885 1 1 14 PRO HB3 H 5.776 3.707 -2.047 1.00 . A A . 14 PRO HB3 1 1 13 2886 1 1 14 PRO HD2 H 8.784 1.222 -1.868 1.00 . A A . 14 PRO HD2 1 1 13 2887 1 1 14 PRO HD3 H 7.715 0.414 -0.703 1.00 . A A . 14 PRO HD3 1 1 13 2888 1 1 14 PRO HG2 H 8.021 3.097 -0.753 1.00 . A A . 14 PRO HG2 1 1 13 2889 1 1 14 PRO HG3 H 6.483 2.328 -0.318 1.00 . A A . 14 PRO HG3 1 1 13 2890 1 1 14 PRO N N 6.869 0.722 -2.619 1.00 . A A . 14 PRO N 1 1 13 2891 1 1 14 PRO O O 7.254 2.110 -5.129 1.00 . A A . 14 PRO O 1 1 13 2892 1 1 15 ALA C C 5.570 3.807 -7.035 1.00 . A A . 15 ALA C 1 1 13 2893 1 1 15 ALA CA C 4.985 2.445 -6.682 1.00 . A A . 15 ALA CA 1 1 13 2894 1 1 15 ALA CB C 3.562 2.329 -7.210 1.00 . A A . 15 ALA CB 1 1 13 2895 1 1 15 ALA H H 4.162 2.175 -4.751 1.00 . A A . 15 ALA H 1 1 13 2896 1 1 15 ALA HA H 5.581 1.675 -7.151 1.00 . A A . 15 ALA HA 1 1 13 2897 1 1 15 ALA HB1 H 3.064 1.504 -6.723 1.00 . A A . 15 ALA HB1 1 1 13 2898 1 1 15 ALA HB2 H 3.586 2.157 -8.276 1.00 . A A . 15 ALA HB2 1 1 13 2899 1 1 15 ALA HB3 H 3.026 3.244 -7.004 1.00 . A A . 15 ALA HB3 1 1 13 2900 1 1 15 ALA N N 5.009 2.218 -5.243 1.00 . A A . 15 ALA N 1 1 13 2901 1 1 15 ALA O O 6.040 4.537 -6.162 1.00 . A A . 15 ALA O 1 1 13 2902 1 1 16 ALA C C 7.551 5.553 -8.459 1.00 . A A . 16 ALA C 1 1 13 2903 1 1 16 ALA CA C 6.068 5.421 -8.787 1.00 . A A . 16 ALA CA 1 1 13 2904 1 1 16 ALA CB C 5.284 6.572 -8.177 1.00 . A A . 16 ALA CB 1 1 13 2905 1 1 16 ALA H H 5.152 3.521 -8.968 1.00 . A A . 16 ALA H 1 1 13 2906 1 1 16 ALA HA H 5.943 5.460 -9.861 1.00 . A A . 16 ALA HA 1 1 13 2907 1 1 16 ALA HB1 H 5.036 6.335 -7.153 1.00 . A A . 16 ALA HB1 1 1 13 2908 1 1 16 ALA HB2 H 4.377 6.730 -8.741 1.00 . A A . 16 ALA HB2 1 1 13 2909 1 1 16 ALA HB3 H 5.885 7.470 -8.202 1.00 . A A . 16 ALA HB3 1 1 13 2910 1 1 16 ALA N N 5.539 4.145 -8.319 1.00 . A A . 16 ALA N 1 1 13 2911 1 1 16 ALA O O 8.023 6.701 -8.315 1.00 . A A . 16 ALA O 1 1 13 2912 1 1 16 ALA OXT O 8.227 4.510 -8.345 1.00 . A A . 16 ALA OXT 1 1 14 2913 1 1 1 GLY C C -8.928 -0.998 -8.635 1.00 . A A . 1 GLY C 1 1 14 2914 1 1 1 GLY CA C -8.231 0.055 -7.798 1.00 . A A . 1 GLY CA 1 1 14 2915 1 1 1 GLY H1 H -8.864 1.223 -6.186 1.00 . A A . 1 GLY H1 1 1 14 2916 1 1 1 GLY H2 H -10.129 0.559 -7.088 1.00 . A A . 1 GLY H2 1 1 14 2917 1 1 1 GLY H3 H -9.257 1.872 -7.699 1.00 . A A . 1 GLY H3 1 1 14 2918 1 1 1 GLY HA2 H -7.564 0.620 -8.432 1.00 . A A . 1 GLY HA2 1 1 14 2919 1 1 1 GLY HA3 H -7.648 -0.437 -7.032 1.00 . A A . 1 GLY HA3 1 1 14 2920 1 1 1 GLY N N -9.186 0.993 -7.147 1.00 . A A . 1 GLY N 1 1 14 2921 1 1 1 GLY O O -10.065 -0.804 -9.065 1.00 . A A . 1 GLY O 1 1 14 2922 1 1 2 ALA C C -9.618 -4.154 -8.788 1.00 . A A . 2 ALA C 1 1 14 2923 1 1 2 ALA CA C -8.806 -3.203 -9.658 1.00 . A A . 2 ALA CA 1 1 14 2924 1 1 2 ALA CB C -7.697 -3.958 -10.376 1.00 . A A . 2 ALA CB 1 1 14 2925 1 1 2 ALA H H -7.342 -2.209 -8.497 1.00 . A A . 2 ALA H 1 1 14 2926 1 1 2 ALA HA H -9.456 -2.770 -10.406 1.00 . A A . 2 ALA HA 1 1 14 2927 1 1 2 ALA HB1 H -8.130 -4.616 -11.114 1.00 . A A . 2 ALA HB1 1 1 14 2928 1 1 2 ALA HB2 H -7.136 -4.539 -9.661 1.00 . A A . 2 ALA HB2 1 1 14 2929 1 1 2 ALA HB3 H -7.039 -3.254 -10.864 1.00 . A A . 2 ALA HB3 1 1 14 2930 1 1 2 ALA N N -8.246 -2.114 -8.867 1.00 . A A . 2 ALA N 1 1 14 2931 1 1 2 ALA O O -10.585 -4.762 -9.249 1.00 . A A . 2 ALA O 1 1 14 2932 1 1 3 ALA C C -10.317 -4.400 -5.326 1.00 . A A . 3 ALA C 1 1 14 2933 1 1 3 ALA CA C -9.914 -5.156 -6.588 1.00 . A A . 3 ALA CA 1 1 14 2934 1 1 3 ALA CB C -9.037 -6.348 -6.235 1.00 . A A . 3 ALA CB 1 1 14 2935 1 1 3 ALA H H -8.446 -3.767 -7.215 1.00 . A A . 3 ALA H 1 1 14 2936 1 1 3 ALA HA H -10.805 -5.525 -7.074 1.00 . A A . 3 ALA HA 1 1 14 2937 1 1 3 ALA HB1 H -8.077 -5.997 -5.886 1.00 . A A . 3 ALA HB1 1 1 14 2938 1 1 3 ALA HB2 H -8.899 -6.964 -7.111 1.00 . A A . 3 ALA HB2 1 1 14 2939 1 1 3 ALA HB3 H -9.513 -6.927 -5.457 1.00 . A A . 3 ALA HB3 1 1 14 2940 1 1 3 ALA N N -9.222 -4.278 -7.524 1.00 . A A . 3 ALA N 1 1 14 2941 1 1 3 ALA O O -11.483 -4.043 -5.148 1.00 . A A . 3 ALA O 1 1 14 2942 1 1 4 ILE C C -8.953 -2.058 -3.222 1.00 . A A . 4 ILE C 1 1 14 2943 1 1 4 ILE CA C -9.600 -3.443 -3.206 1.00 . A A . 4 ILE CA 1 1 14 2944 1 1 4 ILE CB C -9.077 -4.233 -1.989 1.00 . A A . 4 ILE CB 1 1 14 2945 1 1 4 ILE CD1 C -8.913 -4.209 0.551 1.00 . A A . 4 ILE CD1 1 1 14 2946 1 1 4 ILE CG1 C -9.392 -3.488 -0.689 1.00 . A A . 4 ILE CG1 1 1 14 2947 1 1 4 ILE CG2 C -7.579 -4.474 -2.118 1.00 . A A . 4 ILE CG2 1 1 14 2948 1 1 4 ILE H H -8.437 -4.465 -4.648 1.00 . A A . 4 ILE H 1 1 14 2949 1 1 4 ILE HA H -10.666 -3.326 -3.102 1.00 . A A . 4 ILE HA 1 1 14 2950 1 1 4 ILE HB H -9.570 -5.193 -1.974 1.00 . A A . 4 ILE HB 1 1 14 2951 1 1 4 ILE HD11 H -7.863 -4.007 0.703 1.00 . A A . 4 ILE HD11 1 1 14 2952 1 1 4 ILE HD12 H -9.059 -5.272 0.430 1.00 . A A . 4 ILE HD12 1 1 14 2953 1 1 4 ILE HD13 H -9.475 -3.864 1.408 1.00 . A A . 4 ILE HD13 1 1 14 2954 1 1 4 ILE HG12 H -8.917 -2.519 -0.712 1.00 . A A . 4 ILE HG12 1 1 14 2955 1 1 4 ILE HG13 H -10.461 -3.359 -0.607 1.00 . A A . 4 ILE HG13 1 1 14 2956 1 1 4 ILE HG21 H -7.082 -3.541 -2.333 1.00 . A A . 4 ILE HG21 1 1 14 2957 1 1 4 ILE HG22 H -7.395 -5.174 -2.919 1.00 . A A . 4 ILE HG22 1 1 14 2958 1 1 4 ILE HG23 H -7.200 -4.880 -1.192 1.00 . A A . 4 ILE HG23 1 1 14 2959 1 1 4 ILE N N -9.345 -4.157 -4.451 1.00 . A A . 4 ILE N 1 1 14 2960 1 1 4 ILE O O -9.341 -1.174 -2.459 1.00 . A A . 4 ILE O 1 1 14 2961 1 1 5 GLY C C -5.779 -0.749 -4.289 1.00 . A A . 5 GLY C 1 1 14 2962 1 1 5 GLY CA C -7.286 -0.603 -4.190 1.00 . A A . 5 GLY CA 1 1 14 2963 1 1 5 GLY H H -7.702 -2.620 -4.676 1.00 . A A . 5 GLY H 1 1 14 2964 1 1 5 GLY HA2 H -7.643 -0.082 -5.066 1.00 . A A . 5 GLY HA2 1 1 14 2965 1 1 5 GLY HA3 H -7.521 -0.016 -3.315 1.00 . A A . 5 GLY HA3 1 1 14 2966 1 1 5 GLY N N -7.967 -1.880 -4.094 1.00 . A A . 5 GLY N 1 1 14 2967 1 1 5 GLY O O -5.082 0.193 -4.664 1.00 . A A . 5 GLY O 1 1 14 2968 1 1 6 LEU C C -3.052 -1.139 -3.246 1.00 . A A . 6 LEU C 1 1 14 2969 1 1 6 LEU CA C -3.839 -2.200 -4.012 1.00 . A A . 6 LEU CA 1 1 14 2970 1 1 6 LEU CB C -3.378 -2.249 -5.465 1.00 . A A . 6 LEU CB 1 1 14 2971 1 1 6 LEU CD1 C -3.473 -3.317 -7.731 1.00 . A A . 6 LEU CD1 1 1 14 2972 1 1 6 LEU CD2 C -3.694 -4.726 -5.678 1.00 . A A . 6 LEU CD2 1 1 14 2973 1 1 6 LEU CG C -3.992 -3.372 -6.302 1.00 . A A . 6 LEU CG 1 1 14 2974 1 1 6 LEU H H -5.874 -2.648 -3.668 1.00 . A A . 6 LEU H 1 1 14 2975 1 1 6 LEU HA H -3.663 -3.161 -3.555 1.00 . A A . 6 LEU HA 1 1 14 2976 1 1 6 LEU HB2 H -3.631 -1.307 -5.926 1.00 . A A . 6 LEU HB2 1 1 14 2977 1 1 6 LEU HB3 H -2.305 -2.363 -5.480 1.00 . A A . 6 LEU HB3 1 1 14 2978 1 1 6 LEU HD11 H -3.504 -2.298 -8.086 1.00 . A A . 6 LEU HD11 1 1 14 2979 1 1 6 LEU HD12 H -4.091 -3.937 -8.363 1.00 . A A . 6 LEU HD12 1 1 14 2980 1 1 6 LEU HD13 H -2.456 -3.676 -7.758 1.00 . A A . 6 LEU HD13 1 1 14 2981 1 1 6 LEU HD21 H -3.581 -5.465 -6.457 1.00 . A A . 6 LEU HD21 1 1 14 2982 1 1 6 LEU HD22 H -4.508 -5.011 -5.028 1.00 . A A . 6 LEU HD22 1 1 14 2983 1 1 6 LEU HD23 H -2.781 -4.665 -5.103 1.00 . A A . 6 LEU HD23 1 1 14 2984 1 1 6 LEU HG H -5.065 -3.245 -6.332 1.00 . A A . 6 LEU HG 1 1 14 2985 1 1 6 LEU N N -5.272 -1.935 -3.954 1.00 . A A . 6 LEU N 1 1 14 2986 1 1 6 LEU O O -1.937 -0.786 -3.625 1.00 . A A . 6 LEU O 1 1 14 2987 1 1 7 ALA C C -2.344 -0.247 -0.116 1.00 . A A . 7 ALA C 1 1 14 2988 1 1 7 ALA CA C -2.997 0.376 -1.342 1.00 . A A . 7 ALA CA 1 1 14 2989 1 1 7 ALA CB C -4.006 1.429 -0.920 1.00 . A A . 7 ALA CB 1 1 14 2990 1 1 7 ALA H H -4.531 -0.964 -1.912 1.00 . A A . 7 ALA H 1 1 14 2991 1 1 7 ALA HA H -2.236 0.857 -1.939 1.00 . A A . 7 ALA HA 1 1 14 2992 1 1 7 ALA HB1 H -4.823 1.447 -1.626 1.00 . A A . 7 ALA HB1 1 1 14 2993 1 1 7 ALA HB2 H -3.528 2.397 -0.899 1.00 . A A . 7 ALA HB2 1 1 14 2994 1 1 7 ALA HB3 H -4.381 1.191 0.064 1.00 . A A . 7 ALA HB3 1 1 14 2995 1 1 7 ALA N N -3.641 -0.640 -2.164 1.00 . A A . 7 ALA N 1 1 14 2996 1 1 7 ALA O O -2.247 0.382 0.939 1.00 . A A . 7 ALA O 1 1 14 2997 1 1 8 TRP C C 0.125 -2.698 0.386 1.00 . A A . 8 TRP C 1 1 14 2998 1 1 8 TRP CA C -1.247 -2.205 0.825 1.00 . A A . 8 TRP CA 1 1 14 2999 1 1 8 TRP CB C -2.086 -3.411 1.240 1.00 . A A . 8 TRP CB 1 1 14 3000 1 1 8 TRP CD1 C -3.246 -4.263 -0.882 1.00 . A A . 8 TRP CD1 1 1 14 3001 1 1 8 TRP CD2 C -1.521 -5.514 -0.203 1.00 . A A . 8 TRP CD2 1 1 14 3002 1 1 8 TRP CE2 C -2.061 -6.093 -1.366 1.00 . A A . 8 TRP CE2 1 1 14 3003 1 1 8 TRP CE3 C -0.418 -6.122 0.404 1.00 . A A . 8 TRP CE3 1 1 14 3004 1 1 8 TRP CG C -2.309 -4.363 0.106 1.00 . A A . 8 TRP CG 1 1 14 3005 1 1 8 TRP CH2 C -0.447 -7.816 -1.327 1.00 . A A . 8 TRP CH2 1 1 14 3006 1 1 8 TRP CZ2 C -1.531 -7.247 -1.937 1.00 . A A . 8 TRP CZ2 1 1 14 3007 1 1 8 TRP CZ3 C 0.111 -7.263 -0.165 1.00 . A A . 8 TRP CZ3 1 1 14 3008 1 1 8 TRP H H -2.001 -1.931 -1.133 1.00 . A A . 8 TRP H 1 1 14 3009 1 1 8 TRP HA H -1.138 -1.535 1.664 1.00 . A A . 8 TRP HA 1 1 14 3010 1 1 8 TRP HB2 H -1.578 -3.944 2.034 1.00 . A A . 8 TRP HB2 1 1 14 3011 1 1 8 TRP HB3 H -3.050 -3.072 1.592 1.00 . A A . 8 TRP HB3 1 1 14 3012 1 1 8 TRP HD1 H -3.993 -3.485 -0.937 1.00 . A A . 8 TRP HD1 1 1 14 3013 1 1 8 TRP HE1 H -3.687 -5.476 -2.540 1.00 . A A . 8 TRP HE1 1 1 14 3014 1 1 8 TRP HE3 H 0.025 -5.710 1.298 1.00 . A A . 8 TRP HE3 1 1 14 3015 1 1 8 TRP HH2 H -0.003 -8.709 -1.738 1.00 . A A . 8 TRP HH2 1 1 14 3016 1 1 8 TRP HZ2 H -1.949 -7.685 -2.832 1.00 . A A . 8 TRP HZ2 1 1 14 3017 1 1 8 TRP HZ3 H 0.968 -7.741 0.285 1.00 . A A . 8 TRP HZ3 1 1 14 3018 1 1 8 TRP N N -1.896 -1.486 -0.263 1.00 . A A . 8 TRP N 1 1 14 3019 1 1 8 TRP NE1 N -3.119 -5.315 -1.758 1.00 . A A . 8 TRP NE1 1 1 14 3020 1 1 8 TRP O O 1.074 -2.730 1.169 1.00 . A A . 8 TRP O 1 1 14 3021 1 1 9 ILE C C 2.603 -2.640 -1.328 1.00 . A A . 9 ILE C 1 1 14 3022 1 1 9 ILE CA C 1.431 -3.617 -1.451 1.00 . A A . 9 ILE CA 1 1 14 3023 1 1 9 ILE CB C 1.237 -4.007 -2.927 1.00 . A A . 9 ILE CB 1 1 14 3024 1 1 9 ILE CD1 C 2.437 -4.920 -4.966 1.00 . A A . 9 ILE CD1 1 1 14 3025 1 1 9 ILE CG1 C 2.527 -4.598 -3.493 1.00 . A A . 9 ILE CG1 1 1 14 3026 1 1 9 ILE CG2 C 0.787 -2.807 -3.748 1.00 . A A . 9 ILE CG2 1 1 14 3027 1 1 9 ILE H H -0.602 -3.054 -1.437 1.00 . A A . 9 ILE H 1 1 14 3028 1 1 9 ILE HA H 1.683 -4.516 -0.908 1.00 . A A . 9 ILE HA 1 1 14 3029 1 1 9 ILE HB H 0.458 -4.752 -2.978 1.00 . A A . 9 ILE HB 1 1 14 3030 1 1 9 ILE HD11 H 2.559 -5.983 -5.112 1.00 . A A . 9 ILE HD11 1 1 14 3031 1 1 9 ILE HD12 H 3.213 -4.391 -5.498 1.00 . A A . 9 ILE HD12 1 1 14 3032 1 1 9 ILE HD13 H 1.470 -4.614 -5.339 1.00 . A A . 9 ILE HD13 1 1 14 3033 1 1 9 ILE HG12 H 3.334 -3.897 -3.348 1.00 . A A . 9 ILE HG12 1 1 14 3034 1 1 9 ILE HG13 H 2.755 -5.514 -2.966 1.00 . A A . 9 ILE HG13 1 1 14 3035 1 1 9 ILE HG21 H -0.041 -2.323 -3.252 1.00 . A A . 9 ILE HG21 1 1 14 3036 1 1 9 ILE HG22 H 0.476 -3.140 -4.727 1.00 . A A . 9 ILE HG22 1 1 14 3037 1 1 9 ILE HG23 H 1.607 -2.110 -3.845 1.00 . A A . 9 ILE HG23 1 1 14 3038 1 1 9 ILE N N 0.201 -3.099 -0.877 1.00 . A A . 9 ILE N 1 1 14 3039 1 1 9 ILE O O 3.725 -3.072 -1.070 1.00 . A A . 9 ILE O 1 1 14 3040 1 1 10 PRO C C 4.422 -0.636 -0.249 1.00 . A A . 10 PRO C 1 1 14 3041 1 1 10 PRO CA C 3.468 -0.323 -1.398 1.00 . A A . 10 PRO CA 1 1 14 3042 1 1 10 PRO CB C 2.728 1.004 -1.148 1.00 . A A . 10 PRO CB 1 1 14 3043 1 1 10 PRO CD C 1.119 -0.649 -1.819 1.00 . A A . 10 PRO CD 1 1 14 3044 1 1 10 PRO CG C 1.271 0.663 -1.105 1.00 . A A . 10 PRO CG 1 1 14 3045 1 1 10 PRO HA H 4.030 -0.256 -2.319 1.00 . A A . 10 PRO HA 1 1 14 3046 1 1 10 PRO HB2 H 3.058 1.427 -0.210 1.00 . A A . 10 PRO HB2 1 1 14 3047 1 1 10 PRO HB3 H 2.945 1.692 -1.950 1.00 . A A . 10 PRO HB3 1 1 14 3048 1 1 10 PRO HD2 H 0.278 -1.193 -1.431 1.00 . A A . 10 PRO HD2 1 1 14 3049 1 1 10 PRO HD3 H 1.018 -0.490 -2.884 1.00 . A A . 10 PRO HD3 1 1 14 3050 1 1 10 PRO HG2 H 0.948 0.566 -0.079 1.00 . A A . 10 PRO HG2 1 1 14 3051 1 1 10 PRO HG3 H 0.700 1.431 -1.606 1.00 . A A . 10 PRO HG3 1 1 14 3052 1 1 10 PRO N N 2.390 -1.311 -1.505 1.00 . A A . 10 PRO N 1 1 14 3053 1 1 10 PRO O O 5.609 -0.310 -0.307 1.00 . A A . 10 PRO O 1 1 14 3054 1 1 11 TYR C C 5.942 -2.422 1.516 1.00 . A A . 11 TYR C 1 1 14 3055 1 1 11 TYR CA C 4.692 -1.663 1.945 1.00 . A A . 11 TYR CA 1 1 14 3056 1 1 11 TYR CB C 3.858 -2.530 2.890 1.00 . A A . 11 TYR CB 1 1 14 3057 1 1 11 TYR CD1 C 2.333 -0.517 3.131 1.00 . A A . 11 TYR CD1 1 1 14 3058 1 1 11 TYR CD2 C 1.773 -2.510 4.313 1.00 . A A . 11 TYR CD2 1 1 14 3059 1 1 11 TYR CE1 C 1.215 0.109 3.650 1.00 . A A . 11 TYR CE1 1 1 14 3060 1 1 11 TYR CE2 C 0.655 -1.891 4.836 1.00 . A A . 11 TYR CE2 1 1 14 3061 1 1 11 TYR CG C 2.632 -1.838 3.454 1.00 . A A . 11 TYR CG 1 1 14 3062 1 1 11 TYR CZ C 0.379 -0.582 4.502 1.00 . A A . 11 TYR CZ 1 1 14 3063 1 1 11 TYR H H 2.946 -1.521 0.765 1.00 . A A . 11 TYR H 1 1 14 3064 1 1 11 TYR HA H 4.986 -0.761 2.459 1.00 . A A . 11 TYR HA 1 1 14 3065 1 1 11 TYR HB2 H 3.523 -3.406 2.353 1.00 . A A . 11 TYR HB2 1 1 14 3066 1 1 11 TYR HB3 H 4.477 -2.840 3.719 1.00 . A A . 11 TYR HB3 1 1 14 3067 1 1 11 TYR HD1 H 2.988 0.022 2.463 1.00 . A A . 11 TYR HD1 1 1 14 3068 1 1 11 TYR HD2 H 1.990 -3.536 4.575 1.00 . A A . 11 TYR HD2 1 1 14 3069 1 1 11 TYR HE1 H 1.001 1.134 3.387 1.00 . A A . 11 TYR HE1 1 1 14 3070 1 1 11 TYR HE2 H 0.000 -2.431 5.503 1.00 . A A . 11 TYR HE2 1 1 14 3071 1 1 11 TYR HH H -1.431 0.048 4.362 1.00 . A A . 11 TYR HH 1 1 14 3072 1 1 11 TYR N N 3.895 -1.283 0.785 1.00 . A A . 11 TYR N 1 1 14 3073 1 1 11 TYR O O 6.995 -2.316 2.145 1.00 . A A . 11 TYR O 1 1 14 3074 1 1 11 TYR OH O -0.733 0.038 5.021 1.00 . A A . 11 TYR OH 1 1 14 3075 1 1 12 PHE C C 7.689 -3.152 -1.141 1.00 . A A . 12 PHE C 1 1 14 3076 1 1 12 PHE CA C 6.937 -3.956 -0.088 1.00 . A A . 12 PHE CA 1 1 14 3077 1 1 12 PHE CB C 6.451 -5.274 -0.698 1.00 . A A . 12 PHE CB 1 1 14 3078 1 1 12 PHE CD1 C 4.453 -5.726 0.754 1.00 . A A . 12 PHE CD1 1 1 14 3079 1 1 12 PHE CD2 C 6.183 -7.366 0.662 1.00 . A A . 12 PHE CD2 1 1 14 3080 1 1 12 PHE CE1 C 3.743 -6.520 1.636 1.00 . A A . 12 PHE CE1 1 1 14 3081 1 1 12 PHE CE2 C 5.478 -8.163 1.544 1.00 . A A . 12 PHE CE2 1 1 14 3082 1 1 12 PHE CG C 5.678 -6.139 0.257 1.00 . A A . 12 PHE CG 1 1 14 3083 1 1 12 PHE CZ C 4.257 -7.740 2.032 1.00 . A A . 12 PHE CZ 1 1 14 3084 1 1 12 PHE H H 4.956 -3.223 -0.029 1.00 . A A . 12 PHE H 1 1 14 3085 1 1 12 PHE HA H 7.606 -4.171 0.732 1.00 . A A . 12 PHE HA 1 1 14 3086 1 1 12 PHE HB2 H 5.806 -5.056 -1.540 1.00 . A A . 12 PHE HB2 1 1 14 3087 1 1 12 PHE HB3 H 7.308 -5.839 -1.042 1.00 . A A . 12 PHE HB3 1 1 14 3088 1 1 12 PHE HD1 H 4.047 -4.776 0.444 1.00 . A A . 12 PHE HD1 1 1 14 3089 1 1 12 PHE HD2 H 7.137 -7.698 0.281 1.00 . A A . 12 PHE HD2 1 1 14 3090 1 1 12 PHE HE1 H 2.790 -6.186 2.017 1.00 . A A . 12 PHE HE1 1 1 14 3091 1 1 12 PHE HE2 H 5.881 -9.116 1.851 1.00 . A A . 12 PHE HE2 1 1 14 3092 1 1 12 PHE HZ H 3.704 -8.362 2.720 1.00 . A A . 12 PHE HZ 1 1 14 3093 1 1 12 PHE N N 5.818 -3.184 0.432 1.00 . A A . 12 PHE N 1 1 14 3094 1 1 12 PHE O O 8.909 -3.255 -1.262 1.00 . A A . 12 PHE O 1 1 14 3095 1 1 13 GLY C C 8.607 -0.589 -2.406 1.00 . A A . 13 GLY C 1 1 14 3096 1 1 13 GLY CA C 7.545 -1.533 -2.940 1.00 . A A . 13 GLY CA 1 1 14 3097 1 1 13 GLY H H 5.977 -2.311 -1.749 1.00 . A A . 13 GLY H 1 1 14 3098 1 1 13 GLY HA2 H 7.992 -2.182 -3.678 1.00 . A A . 13 GLY HA2 1 1 14 3099 1 1 13 GLY HA3 H 6.769 -0.950 -3.412 1.00 . A A . 13 GLY HA3 1 1 14 3100 1 1 13 GLY N N 6.946 -2.349 -1.898 1.00 . A A . 13 GLY N 1 1 14 3101 1 1 13 GLY O O 8.282 0.423 -1.783 1.00 . A A . 13 GLY O 1 1 14 3102 1 1 14 PRO C C 11.104 1.255 -2.946 1.00 . A A . 14 PRO C 1 1 14 3103 1 1 14 PRO CA C 11.004 -0.052 -2.164 1.00 . A A . 14 PRO CA 1 1 14 3104 1 1 14 PRO CB C 12.255 -0.915 -2.406 1.00 . A A . 14 PRO CB 1 1 14 3105 1 1 14 PRO CD C 10.388 -2.068 -3.358 1.00 . A A . 14 PRO CD 1 1 14 3106 1 1 14 PRO CG C 11.744 -2.277 -2.754 1.00 . A A . 14 PRO CG 1 1 14 3107 1 1 14 PRO HA H 10.914 0.168 -1.111 1.00 . A A . 14 PRO HA 1 1 14 3108 1 1 14 PRO HB2 H 12.833 -0.495 -3.218 1.00 . A A . 14 PRO HB2 1 1 14 3109 1 1 14 PRO HB3 H 12.855 -0.940 -1.507 1.00 . A A . 14 PRO HB3 1 1 14 3110 1 1 14 PRO HD2 H 10.470 -1.866 -4.417 1.00 . A A . 14 PRO HD2 1 1 14 3111 1 1 14 PRO HD3 H 9.755 -2.924 -3.181 1.00 . A A . 14 PRO HD3 1 1 14 3112 1 1 14 PRO HG2 H 12.405 -2.747 -3.467 1.00 . A A . 14 PRO HG2 1 1 14 3113 1 1 14 PRO HG3 H 11.668 -2.879 -1.860 1.00 . A A . 14 PRO HG3 1 1 14 3114 1 1 14 PRO N N 9.898 -0.891 -2.633 1.00 . A A . 14 PRO N 1 1 14 3115 1 1 14 PRO O O 10.852 1.288 -4.151 1.00 . A A . 14 PRO O 1 1 14 3116 1 1 15 ALA C C 10.292 4.078 -3.520 1.00 . A A . 15 ALA C 1 1 14 3117 1 1 15 ALA CA C 11.606 3.636 -2.886 1.00 . A A . 15 ALA CA 1 1 14 3118 1 1 15 ALA CB C 12.715 3.607 -3.927 1.00 . A A . 15 ALA CB 1 1 14 3119 1 1 15 ALA H H 11.661 2.238 -1.297 1.00 . A A . 15 ALA H 1 1 14 3120 1 1 15 ALA HA H 11.882 4.347 -2.120 1.00 . A A . 15 ALA HA 1 1 14 3121 1 1 15 ALA HB1 H 12.865 2.593 -4.266 1.00 . A A . 15 ALA HB1 1 1 14 3122 1 1 15 ALA HB2 H 13.629 3.982 -3.490 1.00 . A A . 15 ALA HB2 1 1 14 3123 1 1 15 ALA HB3 H 12.437 4.229 -4.765 1.00 . A A . 15 ALA HB3 1 1 14 3124 1 1 15 ALA N N 11.472 2.328 -2.254 1.00 . A A . 15 ALA N 1 1 14 3125 1 1 15 ALA O O 9.268 3.409 -3.383 1.00 . A A . 15 ALA O 1 1 14 3126 1 1 16 ALA C C 9.339 5.838 -6.378 1.00 . A A . 16 ALA C 1 1 14 3127 1 1 16 ALA CA C 9.139 5.746 -4.870 1.00 . A A . 16 ALA CA 1 1 14 3128 1 1 16 ALA CB C 8.791 7.111 -4.298 1.00 . A A . 16 ALA CB 1 1 14 3129 1 1 16 ALA H H 11.173 5.701 -4.287 1.00 . A A . 16 ALA H 1 1 14 3130 1 1 16 ALA HA H 8.316 5.076 -4.666 1.00 . A A . 16 ALA HA 1 1 14 3131 1 1 16 ALA HB1 H 9.229 7.213 -3.316 1.00 . A A . 16 ALA HB1 1 1 14 3132 1 1 16 ALA HB2 H 7.717 7.209 -4.226 1.00 . A A . 16 ALA HB2 1 1 14 3133 1 1 16 ALA HB3 H 9.179 7.883 -4.946 1.00 . A A . 16 ALA HB3 1 1 14 3134 1 1 16 ALA N N 10.327 5.212 -4.214 1.00 . A A . 16 ALA N 1 1 14 3135 1 1 16 ALA O O 10.079 6.741 -6.822 1.00 . A A . 16 ALA O 1 1 14 3136 1 1 16 ALA OXT O 8.755 5.007 -7.104 1.00 . A A . 16 ALA OXT 1 1 15 3137 1 1 1 GLY C C -9.805 -1.823 -6.332 1.00 . A A . 1 GLY C 1 1 15 3138 1 1 1 GLY CA C -11.168 -1.990 -5.690 1.00 . A A . 1 GLY CA 1 1 15 3139 1 1 1 GLY H1 H -10.921 -1.692 -3.637 1.00 . A A . 1 GLY H1 1 1 15 3140 1 1 1 GLY H2 H -10.293 -3.159 -4.195 1.00 . A A . 1 GLY H2 1 1 15 3141 1 1 1 GLY H3 H -11.965 -2.967 -4.024 1.00 . A A . 1 GLY H3 1 1 15 3142 1 1 1 GLY HA2 H -11.746 -2.691 -6.274 1.00 . A A . 1 GLY HA2 1 1 15 3143 1 1 1 GLY HA3 H -11.672 -1.035 -5.689 1.00 . A A . 1 GLY HA3 1 1 15 3144 1 1 1 GLY N N -11.080 -2.487 -4.288 1.00 . A A . 1 GLY N 1 1 15 3145 1 1 1 GLY O O -8.952 -2.705 -6.231 1.00 . A A . 1 GLY O 1 1 15 3146 1 1 2 ALA C C -7.827 0.986 -7.308 1.00 . A A . 2 ALA C 1 1 15 3147 1 1 2 ALA CA C -8.331 -0.410 -7.656 1.00 . A A . 2 ALA CA 1 1 15 3148 1 1 2 ALA CB C -8.479 -0.559 -9.163 1.00 . A A . 2 ALA CB 1 1 15 3149 1 1 2 ALA H H -10.318 -0.025 -7.039 1.00 . A A . 2 ALA H 1 1 15 3150 1 1 2 ALA HA H -7.610 -1.138 -7.315 1.00 . A A . 2 ALA HA 1 1 15 3151 1 1 2 ALA HB1 H -7.793 0.110 -9.661 1.00 . A A . 2 ALA HB1 1 1 15 3152 1 1 2 ALA HB2 H -9.491 -0.317 -9.452 1.00 . A A . 2 ALA HB2 1 1 15 3153 1 1 2 ALA HB3 H -8.258 -1.577 -9.448 1.00 . A A . 2 ALA HB3 1 1 15 3154 1 1 2 ALA N N -9.600 -0.690 -6.995 1.00 . A A . 2 ALA N 1 1 15 3155 1 1 2 ALA O O -7.176 1.642 -8.120 1.00 . A A . 2 ALA O 1 1 15 3156 1 1 3 ALA C C -7.271 2.716 -4.180 1.00 . A A . 3 ALA C 1 1 15 3157 1 1 3 ALA CA C -7.716 2.753 -5.638 1.00 . A A . 3 ALA CA 1 1 15 3158 1 1 3 ALA CB C -8.844 3.758 -5.822 1.00 . A A . 3 ALA CB 1 1 15 3159 1 1 3 ALA H H -8.659 0.864 -5.494 1.00 . A A . 3 ALA H 1 1 15 3160 1 1 3 ALA HA H -6.883 3.068 -6.251 1.00 . A A . 3 ALA HA 1 1 15 3161 1 1 3 ALA HB1 H -9.562 3.643 -5.024 1.00 . A A . 3 ALA HB1 1 1 15 3162 1 1 3 ALA HB2 H -9.329 3.584 -6.771 1.00 . A A . 3 ALA HB2 1 1 15 3163 1 1 3 ALA HB3 H -8.441 4.760 -5.802 1.00 . A A . 3 ALA HB3 1 1 15 3164 1 1 3 ALA N N -8.136 1.434 -6.096 1.00 . A A . 3 ALA N 1 1 15 3165 1 1 3 ALA O O -6.240 3.286 -3.821 1.00 . A A . 3 ALA O 1 1 15 3166 1 1 4 ILE C C -7.481 0.485 -1.532 1.00 . A A . 4 ILE C 1 1 15 3167 1 1 4 ILE CA C -7.743 1.934 -1.924 1.00 . A A . 4 ILE CA 1 1 15 3168 1 1 4 ILE CB C -8.883 2.499 -1.051 1.00 . A A . 4 ILE CB 1 1 15 3169 1 1 4 ILE CD1 C -7.256 3.135 0.798 1.00 . A A . 4 ILE CD1 1 1 15 3170 1 1 4 ILE CG1 C -8.524 2.396 0.432 1.00 . A A . 4 ILE CG1 1 1 15 3171 1 1 4 ILE CG2 C -10.183 1.763 -1.337 1.00 . A A . 4 ILE CG2 1 1 15 3172 1 1 4 ILE H H -8.863 1.612 -3.690 1.00 . A A . 4 ILE H 1 1 15 3173 1 1 4 ILE HA H -6.855 2.509 -1.734 1.00 . A A . 4 ILE HA 1 1 15 3174 1 1 4 ILE HB H -9.023 3.537 -1.310 1.00 . A A . 4 ILE HB 1 1 15 3175 1 1 4 ILE HD11 H -6.857 3.623 -0.079 1.00 . A A . 4 ILE HD11 1 1 15 3176 1 1 4 ILE HD12 H -6.528 2.434 1.181 1.00 . A A . 4 ILE HD12 1 1 15 3177 1 1 4 ILE HD13 H -7.473 3.876 1.554 1.00 . A A . 4 ILE HD13 1 1 15 3178 1 1 4 ILE HG12 H -9.329 2.812 1.022 1.00 . A A . 4 ILE HG12 1 1 15 3179 1 1 4 ILE HG13 H -8.391 1.357 0.695 1.00 . A A . 4 ILE HG13 1 1 15 3180 1 1 4 ILE HG21 H -10.551 2.048 -2.313 1.00 . A A . 4 ILE HG21 1 1 15 3181 1 1 4 ILE HG22 H -10.916 2.020 -0.587 1.00 . A A . 4 ILE HG22 1 1 15 3182 1 1 4 ILE HG23 H -10.007 0.698 -1.318 1.00 . A A . 4 ILE HG23 1 1 15 3183 1 1 4 ILE N N -8.056 2.044 -3.344 1.00 . A A . 4 ILE N 1 1 15 3184 1 1 4 ILE O O -6.688 0.206 -0.634 1.00 . A A . 4 ILE O 1 1 15 3185 1 1 5 GLY C C -6.659 -2.377 -2.461 1.00 . A A . 5 GLY C 1 1 15 3186 1 1 5 GLY CA C -7.978 -1.840 -1.941 1.00 . A A . 5 GLY CA 1 1 15 3187 1 1 5 GLY H H -8.762 -0.139 -2.924 1.00 . A A . 5 GLY H 1 1 15 3188 1 1 5 GLY HA2 H -8.021 -1.993 -0.873 1.00 . A A . 5 GLY HA2 1 1 15 3189 1 1 5 GLY HA3 H -8.785 -2.387 -2.405 1.00 . A A . 5 GLY HA3 1 1 15 3190 1 1 5 GLY N N -8.150 -0.428 -2.220 1.00 . A A . 5 GLY N 1 1 15 3191 1 1 5 GLY O O -6.260 -3.493 -2.127 1.00 . A A . 5 GLY O 1 1 15 3192 1 1 6 LEU C C -3.575 -1.064 -3.371 1.00 . A A . 6 LEU C 1 1 15 3193 1 1 6 LEU CA C -4.694 -1.985 -3.847 1.00 . A A . 6 LEU CA 1 1 15 3194 1 1 6 LEU CB C -4.761 -1.976 -5.376 1.00 . A A . 6 LEU CB 1 1 15 3195 1 1 6 LEU CD1 C -5.781 -2.823 -7.503 1.00 . A A . 6 LEU CD1 1 1 15 3196 1 1 6 LEU CD2 C -5.559 -4.346 -5.532 1.00 . A A . 6 LEU CD2 1 1 15 3197 1 1 6 LEU CG C -5.803 -2.914 -5.985 1.00 . A A . 6 LEU CG 1 1 15 3198 1 1 6 LEU H H -6.344 -0.700 -3.511 1.00 . A A . 6 LEU H 1 1 15 3199 1 1 6 LEU HA H -4.485 -2.988 -3.511 1.00 . A A . 6 LEU HA 1 1 15 3200 1 1 6 LEU HB2 H -4.980 -0.968 -5.700 1.00 . A A . 6 LEU HB2 1 1 15 3201 1 1 6 LEU HB3 H -3.790 -2.255 -5.759 1.00 . A A . 6 LEU HB3 1 1 15 3202 1 1 6 LEU HD11 H -4.911 -3.336 -7.882 1.00 . A A . 6 LEU HD11 1 1 15 3203 1 1 6 LEU HD12 H -5.746 -1.784 -7.800 1.00 . A A . 6 LEU HD12 1 1 15 3204 1 1 6 LEU HD13 H -6.673 -3.280 -7.904 1.00 . A A . 6 LEU HD13 1 1 15 3205 1 1 6 LEU HD21 H -4.514 -4.474 -5.293 1.00 . A A . 6 LEU HD21 1 1 15 3206 1 1 6 LEU HD22 H -5.833 -5.026 -6.326 1.00 . A A . 6 LEU HD22 1 1 15 3207 1 1 6 LEU HD23 H -6.158 -4.555 -4.657 1.00 . A A . 6 LEU HD23 1 1 15 3208 1 1 6 LEU HG H -6.786 -2.619 -5.647 1.00 . A A . 6 LEU HG 1 1 15 3209 1 1 6 LEU N N -5.977 -1.579 -3.281 1.00 . A A . 6 LEU N 1 1 15 3210 1 1 6 LEU O O -2.651 -0.753 -4.123 1.00 . A A . 6 LEU O 1 1 15 3211 1 1 7 ALA C C -1.957 -0.406 -0.362 1.00 . A A . 7 ALA C 1 1 15 3212 1 1 7 ALA CA C -2.659 0.254 -1.541 1.00 . A A . 7 ALA CA 1 1 15 3213 1 1 7 ALA CB C -3.296 1.563 -1.109 1.00 . A A . 7 ALA CB 1 1 15 3214 1 1 7 ALA H H -4.425 -0.913 -1.566 1.00 . A A . 7 ALA H 1 1 15 3215 1 1 7 ALA HA H -1.929 0.472 -2.307 1.00 . A A . 7 ALA HA 1 1 15 3216 1 1 7 ALA HB1 H -3.871 1.971 -1.926 1.00 . A A . 7 ALA HB1 1 1 15 3217 1 1 7 ALA HB2 H -2.521 2.262 -0.829 1.00 . A A . 7 ALA HB2 1 1 15 3218 1 1 7 ALA HB3 H -3.944 1.385 -0.264 1.00 . A A . 7 ALA HB3 1 1 15 3219 1 1 7 ALA N N -3.665 -0.632 -2.118 1.00 . A A . 7 ALA N 1 1 15 3220 1 1 7 ALA O O -1.632 0.250 0.628 1.00 . A A . 7 ALA O 1 1 15 3221 1 1 8 TRP C C 0.348 -2.866 0.128 1.00 . A A . 8 TRP C 1 1 15 3222 1 1 8 TRP CA C -1.050 -2.459 0.572 1.00 . A A . 8 TRP CA 1 1 15 3223 1 1 8 TRP CB C -1.841 -3.720 0.914 1.00 . A A . 8 TRP CB 1 1 15 3224 1 1 8 TRP CD1 C -2.910 -4.474 -1.290 1.00 . A A . 8 TRP CD1 1 1 15 3225 1 1 8 TRP CD2 C -1.238 -5.778 -0.579 1.00 . A A . 8 TRP CD2 1 1 15 3226 1 1 8 TRP CE2 C -1.731 -6.302 -1.789 1.00 . A A . 8 TRP CE2 1 1 15 3227 1 1 8 TRP CE3 C -0.174 -6.427 0.053 1.00 . A A . 8 TRP CE3 1 1 15 3228 1 1 8 TRP CG C -2.020 -4.623 -0.266 1.00 . A A . 8 TRP CG 1 1 15 3229 1 1 8 TRP CH2 C -0.150 -8.055 -1.740 1.00 . A A . 8 TRP CH2 1 1 15 3230 1 1 8 TRP CZ2 C -1.195 -7.443 -2.379 1.00 . A A . 8 TRP CZ2 1 1 15 3231 1 1 8 TRP CZ3 C 0.361 -7.557 -0.535 1.00 . A A . 8 TRP CZ3 1 1 15 3232 1 1 8 TRP H H -1.998 -2.170 -1.296 1.00 . A A . 8 TRP H 1 1 15 3233 1 1 8 TRP HA H -0.978 -1.833 1.448 1.00 . A A . 8 TRP HA 1 1 15 3234 1 1 8 TRP HB2 H -1.316 -4.272 1.685 1.00 . A A . 8 TRP HB2 1 1 15 3235 1 1 8 TRP HB3 H -2.821 -3.438 1.277 1.00 . A A . 8 TRP HB3 1 1 15 3236 1 1 8 TRP HD1 H -3.642 -3.682 -1.349 1.00 . A A . 8 TRP HD1 1 1 15 3237 1 1 8 TRP HE1 H -3.290 -5.614 -3.012 1.00 . A A . 8 TRP HE1 1 1 15 3238 1 1 8 TRP HE3 H 0.233 -6.057 0.983 1.00 . A A . 8 TRP HE3 1 1 15 3239 1 1 8 TRP HH2 H 0.299 -8.940 -2.165 1.00 . A A . 8 TRP HH2 1 1 15 3240 1 1 8 TRP HZ2 H -1.575 -7.840 -3.307 1.00 . A A . 8 TRP HZ2 1 1 15 3241 1 1 8 TRP HZ3 H 1.188 -8.067 -0.063 1.00 . A A . 8 TRP HZ3 1 1 15 3242 1 1 8 TRP N N -1.720 -1.706 -0.479 1.00 . A A . 8 TRP N 1 1 15 3243 1 1 8 TRP NE1 N -2.758 -5.493 -2.199 1.00 . A A . 8 TRP NE1 1 1 15 3244 1 1 8 TRP O O 1.291 -2.876 0.919 1.00 . A A . 8 TRP O 1 1 15 3245 1 1 9 ILE C C 2.844 -2.617 -1.506 1.00 . A A . 9 ILE C 1 1 15 3246 1 1 9 ILE CA C 1.735 -3.650 -1.711 1.00 . A A . 9 ILE CA 1 1 15 3247 1 1 9 ILE CB C 1.604 -4.029 -3.208 1.00 . A A . 9 ILE CB 1 1 15 3248 1 1 9 ILE CD1 C 3.930 -3.255 -3.994 1.00 . A A . 9 ILE CD1 1 1 15 3249 1 1 9 ILE CG1 C 2.970 -4.413 -3.795 1.00 . A A . 9 ILE CG1 1 1 15 3250 1 1 9 ILE CG2 C 0.956 -2.910 -4.010 1.00 . A A . 9 ILE CG2 1 1 15 3251 1 1 9 ILE H H -0.332 -3.199 -1.720 1.00 . A A . 9 ILE H 1 1 15 3252 1 1 9 ILE HA H 2.021 -4.547 -1.179 1.00 . A A . 9 ILE HA 1 1 15 3253 1 1 9 ILE HB H 0.952 -4.887 -3.270 1.00 . A A . 9 ILE HB 1 1 15 3254 1 1 9 ILE HD11 H 3.412 -2.322 -3.845 1.00 . A A . 9 ILE HD11 1 1 15 3255 1 1 9 ILE HD12 H 4.330 -3.288 -4.997 1.00 . A A . 9 ILE HD12 1 1 15 3256 1 1 9 ILE HD13 H 4.738 -3.334 -3.283 1.00 . A A . 9 ILE HD13 1 1 15 3257 1 1 9 ILE HG12 H 3.445 -5.107 -3.120 1.00 . A A . 9 ILE HG12 1 1 15 3258 1 1 9 ILE HG13 H 2.821 -4.892 -4.753 1.00 . A A . 9 ILE HG13 1 1 15 3259 1 1 9 ILE HG21 H 0.155 -2.470 -3.435 1.00 . A A . 9 ILE HG21 1 1 15 3260 1 1 9 ILE HG22 H 0.555 -3.314 -4.928 1.00 . A A . 9 ILE HG22 1 1 15 3261 1 1 9 ILE HG23 H 1.688 -2.154 -4.242 1.00 . A A . 9 ILE HG23 1 1 15 3262 1 1 9 ILE N N 0.463 -3.220 -1.148 1.00 . A A . 9 ILE N 1 1 15 3263 1 1 9 ILE O O 3.966 -2.991 -1.163 1.00 . A A . 9 ILE O 1 1 15 3264 1 1 10 PRO C C 4.431 -0.516 -0.263 1.00 . A A . 10 PRO C 1 1 15 3265 1 1 10 PRO CA C 3.584 -0.264 -1.508 1.00 . A A . 10 PRO CA 1 1 15 3266 1 1 10 PRO CB C 2.759 1.026 -1.353 1.00 . A A . 10 PRO CB 1 1 15 3267 1 1 10 PRO CD C 1.292 -0.723 -2.095 1.00 . A A . 10 PRO CD 1 1 15 3268 1 1 10 PRO CG C 1.323 0.601 -1.388 1.00 . A A . 10 PRO CG 1 1 15 3269 1 1 10 PRO HA H 4.231 -0.182 -2.368 1.00 . A A . 10 PRO HA 1 1 15 3270 1 1 10 PRO HB2 H 3.003 1.499 -0.414 1.00 . A A . 10 PRO HB2 1 1 15 3271 1 1 10 PRO HB3 H 2.988 1.698 -2.167 1.00 . A A . 10 PRO HB3 1 1 15 3272 1 1 10 PRO HD2 H 0.462 -1.315 -1.752 1.00 . A A . 10 PRO HD2 1 1 15 3273 1 1 10 PRO HD3 H 1.248 -0.583 -3.166 1.00 . A A . 10 PRO HD3 1 1 15 3274 1 1 10 PRO HG2 H 0.948 0.495 -0.382 1.00 . A A . 10 PRO HG2 1 1 15 3275 1 1 10 PRO HG3 H 0.738 1.329 -1.931 1.00 . A A . 10 PRO HG3 1 1 15 3276 1 1 10 PRO N N 2.574 -1.307 -1.696 1.00 . A A . 10 PRO N 1 1 15 3277 1 1 10 PRO O O 5.597 -0.130 -0.198 1.00 . A A . 10 PRO O 1 1 15 3278 1 1 11 TYR C C 5.796 -2.300 1.682 1.00 . A A . 11 TYR C 1 1 15 3279 1 1 11 TYR CA C 4.511 -1.523 1.957 1.00 . A A . 11 TYR CA 1 1 15 3280 1 1 11 TYR CB C 3.586 -2.361 2.842 1.00 . A A . 11 TYR CB 1 1 15 3281 1 1 11 TYR CD1 C 2.058 -0.335 2.893 1.00 . A A . 11 TYR CD1 1 1 15 3282 1 1 11 TYR CD2 C 1.382 -2.293 4.073 1.00 . A A . 11 TYR CD2 1 1 15 3283 1 1 11 TYR CE1 C 0.903 0.310 3.292 1.00 . A A . 11 TYR CE1 1 1 15 3284 1 1 11 TYR CE2 C 0.225 -1.654 4.477 1.00 . A A . 11 TYR CE2 1 1 15 3285 1 1 11 TYR CG C 2.320 -1.647 3.276 1.00 . A A . 11 TYR CG 1 1 15 3286 1 1 11 TYR CZ C -0.010 -0.354 4.084 1.00 . A A . 11 TYR CZ 1 1 15 3287 1 1 11 TYR H H 2.902 -1.475 0.594 1.00 . A A . 11 TYR H 1 1 15 3288 1 1 11 TYR HA H 4.754 -0.605 2.468 1.00 . A A . 11 TYR HA 1 1 15 3289 1 1 11 TYR HB2 H 3.292 -3.246 2.294 1.00 . A A . 11 TYR HB2 1 1 15 3290 1 1 11 TYR HB3 H 4.124 -2.657 3.730 1.00 . A A . 11 TYR HB3 1 1 15 3291 1 1 11 TYR HD1 H 2.773 0.185 2.272 1.00 . A A . 11 TYR HD1 1 1 15 3292 1 1 11 TYR HD2 H 1.570 -3.312 4.380 1.00 . A A . 11 TYR HD2 1 1 15 3293 1 1 11 TYR HE1 H 0.719 1.329 2.985 1.00 . A A . 11 TYR HE1 1 1 15 3294 1 1 11 TYR HE2 H -0.489 -2.174 5.097 1.00 . A A . 11 TYR HE2 1 1 15 3295 1 1 11 TYR HH H -1.800 0.270 3.768 1.00 . A A . 11 TYR HH 1 1 15 3296 1 1 11 TYR N N 3.831 -1.188 0.715 1.00 . A A . 11 TYR N 1 1 15 3297 1 1 11 TYR O O 6.813 -2.092 2.342 1.00 . A A . 11 TYR O 1 1 15 3298 1 1 11 TYR OH O -1.161 0.284 4.484 1.00 . A A . 11 TYR OH 1 1 15 3299 1 1 12 PHE C C 7.874 -3.222 -0.518 1.00 . A A . 12 PHE C 1 1 15 3300 1 1 12 PHE CA C 6.893 -4.011 0.344 1.00 . A A . 12 PHE CA 1 1 15 3301 1 1 12 PHE CB C 6.452 -5.279 -0.393 1.00 . A A . 12 PHE CB 1 1 15 3302 1 1 12 PHE CD1 C 4.407 -5.822 0.971 1.00 . A A . 12 PHE CD1 1 1 15 3303 1 1 12 PHE CD2 C 6.083 -7.501 0.713 1.00 . A A . 12 PHE CD2 1 1 15 3304 1 1 12 PHE CE1 C 3.655 -6.688 1.742 1.00 . A A . 12 PHE CE1 1 1 15 3305 1 1 12 PHE CE2 C 5.334 -8.370 1.484 1.00 . A A . 12 PHE CE2 1 1 15 3306 1 1 12 PHE CG C 5.628 -6.219 0.447 1.00 . A A . 12 PHE CG 1 1 15 3307 1 1 12 PHE CZ C 4.119 -7.963 1.999 1.00 . A A . 12 PHE CZ 1 1 15 3308 1 1 12 PHE H H 4.894 -3.320 0.215 1.00 . A A . 12 PHE H 1 1 15 3309 1 1 12 PHE HA H 7.391 -4.297 1.258 1.00 . A A . 12 PHE HA 1 1 15 3310 1 1 12 PHE HB2 H 5.858 -4.999 -1.252 1.00 . A A . 12 PHE HB2 1 1 15 3311 1 1 12 PHE HB3 H 7.332 -5.816 -0.726 1.00 . A A . 12 PHE HB3 1 1 15 3312 1 1 12 PHE HD1 H 4.042 -4.828 0.771 1.00 . A A . 12 PHE HD1 1 1 15 3313 1 1 12 PHE HD2 H 7.032 -7.820 0.311 1.00 . A A . 12 PHE HD2 1 1 15 3314 1 1 12 PHE HE1 H 2.706 -6.367 2.144 1.00 . A A . 12 PHE HE1 1 1 15 3315 1 1 12 PHE HE2 H 5.699 -9.366 1.683 1.00 . A A . 12 PHE HE2 1 1 15 3316 1 1 12 PHE HZ H 3.534 -8.640 2.602 1.00 . A A . 12 PHE HZ 1 1 15 3317 1 1 12 PHE N N 5.737 -3.199 0.705 1.00 . A A . 12 PHE N 1 1 15 3318 1 1 12 PHE O O 9.085 -3.421 -0.438 1.00 . A A . 12 PHE O 1 1 15 3319 1 1 13 GLY C C 7.786 -1.616 -3.668 1.00 . A A . 13 GLY C 1 1 15 3320 1 1 13 GLY CA C 8.191 -1.522 -2.208 1.00 . A A . 13 GLY CA 1 1 15 3321 1 1 13 GLY H H 6.371 -2.207 -1.369 1.00 . A A . 13 GLY H 1 1 15 3322 1 1 13 GLY HA2 H 8.135 -0.492 -1.893 1.00 . A A . 13 GLY HA2 1 1 15 3323 1 1 13 GLY HA3 H 9.212 -1.862 -2.109 1.00 . A A . 13 GLY HA3 1 1 15 3324 1 1 13 GLY N N 7.344 -2.325 -1.344 1.00 . A A . 13 GLY N 1 1 15 3325 1 1 13 GLY O O 8.096 -2.601 -4.337 1.00 . A A . 13 GLY O 1 1 15 3326 1 1 14 PRO C C 7.730 -0.091 -6.543 1.00 . A A . 14 PRO C 1 1 15 3327 1 1 14 PRO CA C 6.644 -0.584 -5.591 1.00 . A A . 14 PRO CA 1 1 15 3328 1 1 14 PRO CB C 5.474 0.394 -5.562 1.00 . A A . 14 PRO CB 1 1 15 3329 1 1 14 PRO CD C 6.667 0.623 -3.482 1.00 . A A . 14 PRO CD 1 1 15 3330 1 1 14 PRO CG C 5.827 1.370 -4.490 1.00 . A A . 14 PRO CG 1 1 15 3331 1 1 14 PRO HA H 6.300 -1.557 -5.908 1.00 . A A . 14 PRO HA 1 1 15 3332 1 1 14 PRO HB2 H 5.380 0.877 -6.525 1.00 . A A . 14 PRO HB2 1 1 15 3333 1 1 14 PRO HB3 H 4.562 -0.139 -5.325 1.00 . A A . 14 PRO HB3 1 1 15 3334 1 1 14 PRO HD2 H 7.525 1.214 -3.196 1.00 . A A . 14 PRO HD2 1 1 15 3335 1 1 14 PRO HD3 H 6.077 0.373 -2.613 1.00 . A A . 14 PRO HD3 1 1 15 3336 1 1 14 PRO HG2 H 6.392 2.187 -4.913 1.00 . A A . 14 PRO HG2 1 1 15 3337 1 1 14 PRO HG3 H 4.925 1.741 -4.024 1.00 . A A . 14 PRO HG3 1 1 15 3338 1 1 14 PRO N N 7.087 -0.596 -4.199 1.00 . A A . 14 PRO N 1 1 15 3339 1 1 14 PRO O O 7.946 -0.671 -7.608 1.00 . A A . 14 PRO O 1 1 15 3340 1 1 15 ALA C C 8.933 2.032 -8.316 1.00 . A A . 15 ALA C 1 1 15 3341 1 1 15 ALA CA C 9.472 1.554 -6.972 1.00 . A A . 15 ALA CA 1 1 15 3342 1 1 15 ALA CB C 10.585 0.538 -7.178 1.00 . A A . 15 ALA CB 1 1 15 3343 1 1 15 ALA H H 8.190 1.402 -5.295 1.00 . A A . 15 ALA H 1 1 15 3344 1 1 15 ALA HA H 9.883 2.401 -6.440 1.00 . A A . 15 ALA HA 1 1 15 3345 1 1 15 ALA HB1 H 10.484 0.085 -8.152 1.00 . A A . 15 ALA HB1 1 1 15 3346 1 1 15 ALA HB2 H 10.521 -0.225 -6.415 1.00 . A A . 15 ALA HB2 1 1 15 3347 1 1 15 ALA HB3 H 11.542 1.035 -7.109 1.00 . A A . 15 ALA HB3 1 1 15 3348 1 1 15 ALA N N 8.410 0.983 -6.154 1.00 . A A . 15 ALA N 1 1 15 3349 1 1 15 ALA O O 7.815 1.692 -8.703 1.00 . A A . 15 ALA O 1 1 15 3350 1 1 16 ALA C C 8.094 4.217 -10.211 1.00 . A A . 16 ALA C 1 1 15 3351 1 1 16 ALA CA C 9.339 3.343 -10.327 1.00 . A A . 16 ALA CA 1 1 15 3352 1 1 16 ALA CB C 9.094 2.201 -11.301 1.00 . A A . 16 ALA CB 1 1 15 3353 1 1 16 ALA H H 10.615 3.056 -8.664 1.00 . A A . 16 ALA H 1 1 15 3354 1 1 16 ALA HA H 10.152 3.941 -10.707 1.00 . A A . 16 ALA HA 1 1 15 3355 1 1 16 ALA HB1 H 9.654 1.332 -10.986 1.00 . A A . 16 ALA HB1 1 1 15 3356 1 1 16 ALA HB2 H 9.415 2.496 -12.290 1.00 . A A . 16 ALA HB2 1 1 15 3357 1 1 16 ALA HB3 H 8.040 1.963 -11.321 1.00 . A A . 16 ALA HB3 1 1 15 3358 1 1 16 ALA N N 9.736 2.820 -9.024 1.00 . A A . 16 ALA N 1 1 15 3359 1 1 16 ALA O O 8.240 5.457 -10.236 1.00 . A A . 16 ALA O 1 1 15 3360 1 1 16 ALA OXT O 6.985 3.654 -10.099 1.00 . A A . 16 ALA OXT 1 1 16 3361 1 1 1 GLY C C -3.023 2.028 -6.483 1.00 . A A . 1 GLY C 1 1 16 3362 1 1 1 GLY CA C -2.531 2.445 -7.856 1.00 . A A . 1 GLY CA 1 1 16 3363 1 1 1 GLY H1 H -2.687 1.602 -9.760 1.00 . A A . 1 GLY H1 1 1 16 3364 1 1 1 GLY H2 H -3.079 0.537 -8.507 1.00 . A A . 1 GLY H2 1 1 16 3365 1 1 1 GLY H3 H -1.461 0.926 -8.811 1.00 . A A . 1 GLY H3 1 1 16 3366 1 1 1 GLY HA2 H -1.556 2.898 -7.753 1.00 . A A . 1 GLY HA2 1 1 16 3367 1 1 1 GLY HA3 H -3.214 3.174 -8.264 1.00 . A A . 1 GLY HA3 1 1 16 3368 1 1 1 GLY N N -2.433 1.298 -8.800 1.00 . A A . 1 GLY N 1 1 16 3369 1 1 1 GLY O O -3.315 0.854 -6.252 1.00 . A A . 1 GLY O 1 1 16 3370 1 1 2 ALA C C -5.037 3.126 -4.035 1.00 . A A . 2 ALA C 1 1 16 3371 1 1 2 ALA CA C -3.576 2.719 -4.215 1.00 . A A . 2 ALA CA 1 1 16 3372 1 1 2 ALA CB C -2.698 3.442 -3.207 1.00 . A A . 2 ALA CB 1 1 16 3373 1 1 2 ALA H H -2.869 3.908 -5.818 1.00 . A A . 2 ALA H 1 1 16 3374 1 1 2 ALA HA H -3.485 1.656 -4.041 1.00 . A A . 2 ALA HA 1 1 16 3375 1 1 2 ALA HB1 H -1.892 2.792 -2.900 1.00 . A A . 2 ALA HB1 1 1 16 3376 1 1 2 ALA HB2 H -3.289 3.712 -2.344 1.00 . A A . 2 ALA HB2 1 1 16 3377 1 1 2 ALA HB3 H -2.289 4.334 -3.658 1.00 . A A . 2 ALA HB3 1 1 16 3378 1 1 2 ALA N N -3.116 2.991 -5.572 1.00 . A A . 2 ALA N 1 1 16 3379 1 1 2 ALA O O -5.480 3.399 -2.920 1.00 . A A . 2 ALA O 1 1 16 3380 1 1 3 ALA C C -8.079 2.371 -5.507 1.00 . A A . 3 ALA C 1 1 16 3381 1 1 3 ALA CA C -7.187 3.538 -5.098 1.00 . A A . 3 ALA CA 1 1 16 3382 1 1 3 ALA CB C -7.439 4.738 -5.998 1.00 . A A . 3 ALA CB 1 1 16 3383 1 1 3 ALA H H -5.369 2.936 -5.999 1.00 . A A . 3 ALA H 1 1 16 3384 1 1 3 ALA HA H -7.427 3.823 -4.084 1.00 . A A . 3 ALA HA 1 1 16 3385 1 1 3 ALA HB1 H -7.160 5.642 -5.479 1.00 . A A . 3 ALA HB1 1 1 16 3386 1 1 3 ALA HB2 H -8.486 4.780 -6.257 1.00 . A A . 3 ALA HB2 1 1 16 3387 1 1 3 ALA HB3 H -6.848 4.642 -6.897 1.00 . A A . 3 ALA HB3 1 1 16 3388 1 1 3 ALA N N -5.779 3.164 -5.138 1.00 . A A . 3 ALA N 1 1 16 3389 1 1 3 ALA O O -9.222 2.264 -5.062 1.00 . A A . 3 ALA O 1 1 16 3390 1 1 4 ILE C C -8.355 -0.748 -5.767 1.00 . A A . 4 ILE C 1 1 16 3391 1 1 4 ILE CA C -8.285 0.344 -6.832 1.00 . A A . 4 ILE CA 1 1 16 3392 1 1 4 ILE CB C -7.621 -0.227 -8.091 1.00 . A A . 4 ILE CB 1 1 16 3393 1 1 4 ILE CD1 C -5.467 -1.249 -8.985 1.00 . A A . 4 ILE CD1 1 1 16 3394 1 1 4 ILE CG1 C -6.182 -0.658 -7.791 1.00 . A A . 4 ILE CG1 1 1 16 3395 1 1 4 ILE CG2 C -7.648 0.796 -9.217 1.00 . A A . 4 ILE CG2 1 1 16 3396 1 1 4 ILE H H -6.640 1.630 -6.682 1.00 . A A . 4 ILE H 1 1 16 3397 1 1 4 ILE HA H -9.286 0.660 -7.086 1.00 . A A . 4 ILE HA 1 1 16 3398 1 1 4 ILE HB H -8.182 -1.079 -8.403 1.00 . A A . 4 ILE HB 1 1 16 3399 1 1 4 ILE HD11 H -4.473 -1.558 -8.694 1.00 . A A . 4 ILE HD11 1 1 16 3400 1 1 4 ILE HD12 H -5.398 -0.507 -9.767 1.00 . A A . 4 ILE HD12 1 1 16 3401 1 1 4 ILE HD13 H -6.017 -2.104 -9.348 1.00 . A A . 4 ILE HD13 1 1 16 3402 1 1 4 ILE HG12 H -5.617 0.199 -7.458 1.00 . A A . 4 ILE HG12 1 1 16 3403 1 1 4 ILE HG13 H -6.193 -1.402 -7.006 1.00 . A A . 4 ILE HG13 1 1 16 3404 1 1 4 ILE HG21 H -8.556 1.378 -9.153 1.00 . A A . 4 ILE HG21 1 1 16 3405 1 1 4 ILE HG22 H -7.615 0.285 -10.168 1.00 . A A . 4 ILE HG22 1 1 16 3406 1 1 4 ILE HG23 H -6.794 1.451 -9.130 1.00 . A A . 4 ILE HG23 1 1 16 3407 1 1 4 ILE N N -7.551 1.498 -6.359 1.00 . A A . 4 ILE N 1 1 16 3408 1 1 4 ILE O O -9.036 -1.759 -5.947 1.00 . A A . 4 ILE O 1 1 16 3409 1 1 5 GLY C C -6.238 -2.080 -3.341 1.00 . A A . 5 GLY C 1 1 16 3410 1 1 5 GLY CA C -7.628 -1.528 -3.597 1.00 . A A . 5 GLY CA 1 1 16 3411 1 1 5 GLY H H -7.111 0.272 -4.577 1.00 . A A . 5 GLY H 1 1 16 3412 1 1 5 GLY HA2 H -7.992 -1.064 -2.692 1.00 . A A . 5 GLY HA2 1 1 16 3413 1 1 5 GLY HA3 H -8.285 -2.343 -3.863 1.00 . A A . 5 GLY HA3 1 1 16 3414 1 1 5 GLY N N -7.641 -0.547 -4.664 1.00 . A A . 5 GLY N 1 1 16 3415 1 1 5 GLY O O -6.032 -2.846 -2.400 1.00 . A A . 5 GLY O 1 1 16 3416 1 1 6 LEU C C -3.085 -1.133 -3.245 1.00 . A A . 6 LEU C 1 1 16 3417 1 1 6 LEU CA C -3.905 -2.149 -4.036 1.00 . A A . 6 LEU CA 1 1 16 3418 1 1 6 LEU CB C -3.280 -2.386 -5.415 1.00 . A A . 6 LEU CB 1 1 16 3419 1 1 6 LEU CD1 C -1.813 -4.281 -4.674 1.00 . A A . 6 LEU CD1 1 1 16 3420 1 1 6 LEU CD2 C -1.331 -3.095 -6.821 1.00 . A A . 6 LEU CD2 1 1 16 3421 1 1 6 LEU CG C -1.856 -2.946 -5.402 1.00 . A A . 6 LEU CG 1 1 16 3422 1 1 6 LEU H H -5.503 -1.075 -4.911 1.00 . A A . 6 LEU H 1 1 16 3423 1 1 6 LEU HA H -3.921 -3.082 -3.493 1.00 . A A . 6 LEU HA 1 1 16 3424 1 1 6 LEU HB2 H -3.908 -3.074 -5.958 1.00 . A A . 6 LEU HB2 1 1 16 3425 1 1 6 LEU HB3 H -3.265 -1.444 -5.944 1.00 . A A . 6 LEU HB3 1 1 16 3426 1 1 6 LEU HD11 H -1.882 -4.112 -3.609 1.00 . A A . 6 LEU HD11 1 1 16 3427 1 1 6 LEU HD12 H -0.886 -4.784 -4.900 1.00 . A A . 6 LEU HD12 1 1 16 3428 1 1 6 LEU HD13 H -2.644 -4.892 -4.996 1.00 . A A . 6 LEU HD13 1 1 16 3429 1 1 6 LEU HD21 H -0.279 -2.855 -6.844 1.00 . A A . 6 LEU HD21 1 1 16 3430 1 1 6 LEU HD22 H -1.869 -2.424 -7.477 1.00 . A A . 6 LEU HD22 1 1 16 3431 1 1 6 LEU HD23 H -1.476 -4.112 -7.152 1.00 . A A . 6 LEU HD23 1 1 16 3432 1 1 6 LEU HG H -1.208 -2.259 -4.878 1.00 . A A . 6 LEU HG 1 1 16 3433 1 1 6 LEU N N -5.280 -1.689 -4.180 1.00 . A A . 6 LEU N 1 1 16 3434 1 1 6 LEU O O -1.994 -0.738 -3.654 1.00 . A A . 6 LEU O 1 1 16 3435 1 1 7 ALA C C -2.328 -0.410 -0.040 1.00 . A A . 7 ALA C 1 1 16 3436 1 1 7 ALA CA C -2.955 0.263 -1.255 1.00 . A A . 7 ALA CA 1 1 16 3437 1 1 7 ALA CB C -3.932 1.336 -0.813 1.00 . A A . 7 ALA CB 1 1 16 3438 1 1 7 ALA H H -4.500 -1.060 -1.839 1.00 . A A . 7 ALA H 1 1 16 3439 1 1 7 ALA HA H -2.176 0.735 -1.836 1.00 . A A . 7 ALA HA 1 1 16 3440 1 1 7 ALA HB1 H -4.728 1.419 -1.539 1.00 . A A . 7 ALA HB1 1 1 16 3441 1 1 7 ALA HB2 H -3.418 2.281 -0.734 1.00 . A A . 7 ALA HB2 1 1 16 3442 1 1 7 ALA HB3 H -4.347 1.070 0.147 1.00 . A A . 7 ALA HB3 1 1 16 3443 1 1 7 ALA N N -3.626 -0.711 -2.108 1.00 . A A . 7 ALA N 1 1 16 3444 1 1 7 ALA O O -2.279 0.166 1.047 1.00 . A A . 7 ALA O 1 1 16 3445 1 1 8 TRP C C 0.181 -2.826 0.420 1.00 . A A . 8 TRP C 1 1 16 3446 1 1 8 TRP CA C -1.214 -2.387 0.839 1.00 . A A . 8 TRP CA 1 1 16 3447 1 1 8 TRP CB C -2.040 -3.625 1.176 1.00 . A A . 8 TRP CB 1 1 16 3448 1 1 8 TRP CD1 C -3.126 -4.343 -1.030 1.00 . A A . 8 TRP CD1 1 1 16 3449 1 1 8 TRP CD2 C -1.478 -5.685 -0.331 1.00 . A A . 8 TRP CD2 1 1 16 3450 1 1 8 TRP CE2 C -1.983 -6.191 -1.543 1.00 . A A . 8 TRP CE2 1 1 16 3451 1 1 8 TRP CE3 C -0.426 -6.359 0.297 1.00 . A A . 8 TRP CE3 1 1 16 3452 1 1 8 TRP CG C -2.238 -4.517 -0.008 1.00 . A A . 8 TRP CG 1 1 16 3453 1 1 8 TRP CH2 C -0.437 -7.975 -1.509 1.00 . A A . 8 TRP CH2 1 1 16 3454 1 1 8 TRP CZ2 C -1.470 -7.338 -2.141 1.00 . A A . 8 TRP CZ2 1 1 16 3455 1 1 8 TRP CZ3 C 0.085 -7.495 -0.301 1.00 . A A . 8 TRP CZ3 1 1 16 3456 1 1 8 TRP H H -1.911 -2.032 -1.129 1.00 . A A . 8 TRP H 1 1 16 3457 1 1 8 TRP HA H -1.143 -1.753 1.709 1.00 . A A . 8 TRP HA 1 1 16 3458 1 1 8 TRP HB2 H -1.532 -4.193 1.946 1.00 . A A . 8 TRP HB2 1 1 16 3459 1 1 8 TRP HB3 H -3.013 -3.318 1.535 1.00 . A A . 8 TRP HB3 1 1 16 3460 1 1 8 TRP HD1 H -3.842 -3.537 -1.083 1.00 . A A . 8 TRP HD1 1 1 16 3461 1 1 8 TRP HE1 H -3.530 -5.465 -2.760 1.00 . A A . 8 TRP HE1 1 1 16 3462 1 1 8 TRP HE3 H -0.011 -6.003 1.228 1.00 . A A . 8 TRP HE3 1 1 16 3463 1 1 8 TRP HH2 H -0.005 -8.865 -1.940 1.00 . A A . 8 TRP HH2 1 1 16 3464 1 1 8 TRP HZ2 H -1.860 -7.722 -3.072 1.00 . A A . 8 TRP HZ2 1 1 16 3465 1 1 8 TRP HZ3 H 0.902 -8.024 0.167 1.00 . A A . 8 TRP HZ3 1 1 16 3466 1 1 8 TRP N N -1.846 -1.630 -0.235 1.00 . A A . 8 TRP N 1 1 16 3467 1 1 8 TRP NE1 N -2.994 -5.360 -1.945 1.00 . A A . 8 TRP NE1 1 1 16 3468 1 1 8 TRP O O 1.103 -2.889 1.230 1.00 . A A . 8 TRP O 1 1 16 3469 1 1 9 ILE C C 2.678 -2.548 -1.330 1.00 . A A . 9 ILE C 1 1 16 3470 1 1 9 ILE CA C 1.568 -3.601 -1.422 1.00 . A A . 9 ILE CA 1 1 16 3471 1 1 9 ILE CB C 1.401 -4.029 -2.890 1.00 . A A . 9 ILE CB 1 1 16 3472 1 1 9 ILE CD1 C 2.668 -4.884 -4.913 1.00 . A A . 9 ILE CD1 1 1 16 3473 1 1 9 ILE CG1 C 2.724 -4.557 -3.439 1.00 . A A . 9 ILE CG1 1 1 16 3474 1 1 9 ILE CG2 C 0.887 -2.870 -3.729 1.00 . A A . 9 ILE CG2 1 1 16 3475 1 1 9 ILE H H -0.476 -3.082 -1.446 1.00 . A A . 9 ILE H 1 1 16 3476 1 1 9 ILE HA H 1.877 -4.471 -0.862 1.00 . A A . 9 ILE HA 1 1 16 3477 1 1 9 ILE HB H 0.665 -4.818 -2.927 1.00 . A A . 9 ILE HB 1 1 16 3478 1 1 9 ILE HD11 H 1.692 -4.624 -5.300 1.00 . A A . 9 ILE HD11 1 1 16 3479 1 1 9 ILE HD12 H 2.842 -5.940 -5.055 1.00 . A A . 9 ILE HD12 1 1 16 3480 1 1 9 ILE HD13 H 3.426 -4.319 -5.436 1.00 . A A . 9 ILE HD13 1 1 16 3481 1 1 9 ILE HG12 H 3.494 -3.815 -3.282 1.00 . A A . 9 ILE HG12 1 1 16 3482 1 1 9 ILE HG13 H 2.989 -5.460 -2.908 1.00 . A A . 9 ILE HG13 1 1 16 3483 1 1 9 ILE HG21 H 1.668 -2.134 -3.845 1.00 . A A . 9 ILE HG21 1 1 16 3484 1 1 9 ILE HG22 H 0.036 -2.419 -3.241 1.00 . A A . 9 ILE HG22 1 1 16 3485 1 1 9 ILE HG23 H 0.591 -3.236 -4.703 1.00 . A A . 9 ILE HG23 1 1 16 3486 1 1 9 ILE N N 0.309 -3.145 -0.861 1.00 . A A . 9 ILE N 1 1 16 3487 1 1 9 ILE O O 3.834 -2.904 -1.103 1.00 . A A . 9 ILE O 1 1 16 3488 1 1 10 PRO C C 4.394 -0.419 -0.309 1.00 . A A . 10 PRO C 1 1 16 3489 1 1 10 PRO CA C 3.386 -0.176 -1.427 1.00 . A A . 10 PRO CA 1 1 16 3490 1 1 10 PRO CB C 2.563 1.096 -1.151 1.00 . A A . 10 PRO CB 1 1 16 3491 1 1 10 PRO CD C 1.057 -0.659 -1.783 1.00 . A A . 10 PRO CD 1 1 16 3492 1 1 10 PRO CG C 1.138 0.644 -1.045 1.00 . A A . 10 PRO CG 1 1 16 3493 1 1 10 PRO HA H 3.913 -0.070 -2.363 1.00 . A A . 10 PRO HA 1 1 16 3494 1 1 10 PRO HB2 H 2.898 1.551 -0.232 1.00 . A A . 10 PRO HB2 1 1 16 3495 1 1 10 PRO HB3 H 2.691 1.791 -1.968 1.00 . A A . 10 PRO HB3 1 1 16 3496 1 1 10 PRO HD2 H 0.261 -1.266 -1.387 1.00 . A A . 10 PRO HD2 1 1 16 3497 1 1 10 PRO HD3 H 0.923 -0.490 -2.841 1.00 . A A . 10 PRO HD3 1 1 16 3498 1 1 10 PRO HG2 H 0.880 0.500 -0.007 1.00 . A A . 10 PRO HG2 1 1 16 3499 1 1 10 PRO HG3 H 0.485 1.375 -1.499 1.00 . A A . 10 PRO HG3 1 1 16 3500 1 1 10 PRO N N 2.374 -1.237 -1.503 1.00 . A A . 10 PRO N 1 1 16 3501 1 1 10 PRO O O 5.553 -0.016 -0.401 1.00 . A A . 10 PRO O 1 1 16 3502 1 1 11 TYR C C 5.994 -2.262 1.398 1.00 . A A . 11 TYR C 1 1 16 3503 1 1 11 TYR CA C 4.804 -1.434 1.864 1.00 . A A . 11 TYR CA 1 1 16 3504 1 1 11 TYR CB C 4.017 -2.209 2.921 1.00 . A A . 11 TYR CB 1 1 16 3505 1 1 11 TYR CD1 C 1.925 -0.777 3.022 1.00 . A A . 11 TYR CD1 1 1 16 3506 1 1 11 TYR CD2 C 3.112 -1.191 5.046 1.00 . A A . 11 TYR CD2 1 1 16 3507 1 1 11 TYR CE1 C 1.001 -0.017 3.715 1.00 . A A . 11 TYR CE1 1 1 16 3508 1 1 11 TYR CE2 C 2.191 -0.432 5.746 1.00 . A A . 11 TYR CE2 1 1 16 3509 1 1 11 TYR CG C 2.996 -1.376 3.675 1.00 . A A . 11 TYR CG 1 1 16 3510 1 1 11 TYR CZ C 1.138 0.151 5.076 1.00 . A A . 11 TYR CZ 1 1 16 3511 1 1 11 TYR H H 3.017 -1.413 0.740 1.00 . A A . 11 TYR H 1 1 16 3512 1 1 11 TYR HA H 5.162 -0.510 2.294 1.00 . A A . 11 TYR HA 1 1 16 3513 1 1 11 TYR HB2 H 3.488 -3.016 2.434 1.00 . A A . 11 TYR HB2 1 1 16 3514 1 1 11 TYR HB3 H 4.707 -2.622 3.641 1.00 . A A . 11 TYR HB3 1 1 16 3515 1 1 11 TYR HD1 H 1.814 -0.909 1.958 1.00 . A A . 11 TYR HD1 1 1 16 3516 1 1 11 TYR HD2 H 3.939 -1.647 5.570 1.00 . A A . 11 TYR HD2 1 1 16 3517 1 1 11 TYR HE1 H 0.175 0.439 3.189 1.00 . A A . 11 TYR HE1 1 1 16 3518 1 1 11 TYR HE2 H 2.300 -0.301 6.812 1.00 . A A . 11 TYR HE2 1 1 16 3519 1 1 11 TYR HH H -0.394 0.326 6.226 1.00 . A A . 11 TYR HH 1 1 16 3520 1 1 11 TYR N N 3.945 -1.104 0.737 1.00 . A A . 11 TYR N 1 1 16 3521 1 1 11 TYR O O 7.135 -2.003 1.782 1.00 . A A . 11 TYR O 1 1 16 3522 1 1 11 TYR OH O 0.220 0.905 5.768 1.00 . A A . 11 TYR OH 1 1 16 3523 1 1 12 PHE C C 7.458 -3.478 -1.154 1.00 . A A . 12 PHE C 1 1 16 3524 1 1 12 PHE CA C 6.759 -4.129 0.036 1.00 . A A . 12 PHE CA 1 1 16 3525 1 1 12 PHE CB C 6.164 -5.474 -0.382 1.00 . A A . 12 PHE CB 1 1 16 3526 1 1 12 PHE CD1 C 6.208 -6.576 1.871 1.00 . A A . 12 PHE CD1 1 1 16 3527 1 1 12 PHE CD2 C 4.147 -6.527 0.674 1.00 . A A . 12 PHE CD2 1 1 16 3528 1 1 12 PHE CE1 C 5.591 -7.251 2.908 1.00 . A A . 12 PHE CE1 1 1 16 3529 1 1 12 PHE CE2 C 3.526 -7.202 1.707 1.00 . A A . 12 PHE CE2 1 1 16 3530 1 1 12 PHE CG C 5.493 -6.208 0.744 1.00 . A A . 12 PHE CG 1 1 16 3531 1 1 12 PHE CZ C 4.249 -7.564 2.826 1.00 . A A . 12 PHE CZ 1 1 16 3532 1 1 12 PHE H H 4.783 -3.409 0.294 1.00 . A A . 12 PHE H 1 1 16 3533 1 1 12 PHE HA H 7.483 -4.293 0.819 1.00 . A A . 12 PHE HA 1 1 16 3534 1 1 12 PHE HB2 H 5.428 -5.310 -1.157 1.00 . A A . 12 PHE HB2 1 1 16 3535 1 1 12 PHE HB3 H 6.955 -6.105 -0.767 1.00 . A A . 12 PHE HB3 1 1 16 3536 1 1 12 PHE HD1 H 7.257 -6.331 1.937 1.00 . A A . 12 PHE HD1 1 1 16 3537 1 1 12 PHE HD2 H 3.580 -6.244 -0.202 1.00 . A A . 12 PHE HD2 1 1 16 3538 1 1 12 PHE HE1 H 6.160 -7.534 3.782 1.00 . A A . 12 PHE HE1 1 1 16 3539 1 1 12 PHE HE2 H 2.476 -7.446 1.639 1.00 . A A . 12 PHE HE2 1 1 16 3540 1 1 12 PHE HZ H 3.766 -8.092 3.636 1.00 . A A . 12 PHE HZ 1 1 16 3541 1 1 12 PHE N N 5.716 -3.258 0.564 1.00 . A A . 12 PHE N 1 1 16 3542 1 1 12 PHE O O 8.658 -3.661 -1.358 1.00 . A A . 12 PHE O 1 1 16 3543 1 1 13 GLY C C 6.293 -2.014 -4.270 1.00 . A A . 13 GLY C 1 1 16 3544 1 1 13 GLY CA C 7.260 -2.055 -3.099 1.00 . A A . 13 GLY CA 1 1 16 3545 1 1 13 GLY H H 5.747 -2.612 -1.726 1.00 . A A . 13 GLY H 1 1 16 3546 1 1 13 GLY HA2 H 7.529 -1.047 -2.828 1.00 . A A . 13 GLY HA2 1 1 16 3547 1 1 13 GLY HA3 H 8.152 -2.582 -3.404 1.00 . A A . 13 GLY HA3 1 1 16 3548 1 1 13 GLY N N 6.699 -2.720 -1.938 1.00 . A A . 13 GLY N 1 1 16 3549 1 1 13 GLY O O 6.049 -3.039 -4.907 1.00 . A A . 13 GLY O 1 1 16 3550 1 1 14 PRO C C 5.333 -1.223 -7.009 1.00 . A A . 14 PRO C 1 1 16 3551 1 1 14 PRO CA C 4.773 -0.690 -5.693 1.00 . A A . 14 PRO CA 1 1 16 3552 1 1 14 PRO CB C 4.554 0.822 -5.781 1.00 . A A . 14 PRO CB 1 1 16 3553 1 1 14 PRO CD C 5.949 0.440 -3.879 1.00 . A A . 14 PRO CD 1 1 16 3554 1 1 14 PRO CG C 4.867 1.334 -4.418 1.00 . A A . 14 PRO CG 1 1 16 3555 1 1 14 PRO HA H 3.835 -1.180 -5.478 1.00 . A A . 14 PRO HA 1 1 16 3556 1 1 14 PRO HB2 H 5.220 1.242 -6.524 1.00 . A A . 14 PRO HB2 1 1 16 3557 1 1 14 PRO HB3 H 3.527 1.025 -6.053 1.00 . A A . 14 PRO HB3 1 1 16 3558 1 1 14 PRO HD2 H 6.922 0.843 -4.115 1.00 . A A . 14 PRO HD2 1 1 16 3559 1 1 14 PRO HD3 H 5.838 0.316 -2.812 1.00 . A A . 14 PRO HD3 1 1 16 3560 1 1 14 PRO HG2 H 5.219 2.353 -4.481 1.00 . A A . 14 PRO HG2 1 1 16 3561 1 1 14 PRO HG3 H 3.987 1.277 -3.794 1.00 . A A . 14 PRO HG3 1 1 16 3562 1 1 14 PRO N N 5.720 -0.837 -4.582 1.00 . A A . 14 PRO N 1 1 16 3563 1 1 14 PRO O O 5.936 -0.480 -7.784 1.00 . A A . 14 PRO O 1 1 16 3564 1 1 15 ALA C C 7.105 -2.905 -8.673 1.00 . A A . 15 ALA C 1 1 16 3565 1 1 15 ALA CA C 5.609 -3.144 -8.479 1.00 . A A . 15 ALA CA 1 1 16 3566 1 1 15 ALA CB C 4.830 -2.628 -9.681 1.00 . A A . 15 ALA CB 1 1 16 3567 1 1 15 ALA H H 4.638 -3.052 -6.601 1.00 . A A . 15 ALA H 1 1 16 3568 1 1 15 ALA HA H 5.432 -4.207 -8.399 1.00 . A A . 15 ALA HA 1 1 16 3569 1 1 15 ALA HB1 H 4.738 -3.413 -10.414 1.00 . A A . 15 ALA HB1 1 1 16 3570 1 1 15 ALA HB2 H 5.354 -1.788 -10.116 1.00 . A A . 15 ALA HB2 1 1 16 3571 1 1 15 ALA HB3 H 3.847 -2.313 -9.364 1.00 . A A . 15 ALA HB3 1 1 16 3572 1 1 15 ALA N N 5.127 -2.512 -7.256 1.00 . A A . 15 ALA N 1 1 16 3573 1 1 15 ALA O O 7.795 -2.457 -7.759 1.00 . A A . 15 ALA O 1 1 16 3574 1 1 16 ALA C C 9.217 -2.819 -11.679 1.00 . A A . 16 ALA C 1 1 16 3575 1 1 16 ALA CA C 9.010 -3.024 -10.182 1.00 . A A . 16 ALA CA 1 1 16 3576 1 1 16 ALA CB C 9.816 -4.218 -9.696 1.00 . A A . 16 ALA CB 1 1 16 3577 1 1 16 ALA H H 6.998 -3.562 -10.559 1.00 . A A . 16 ALA H 1 1 16 3578 1 1 16 ALA HA H 9.356 -2.147 -9.657 1.00 . A A . 16 ALA HA 1 1 16 3579 1 1 16 ALA HB1 H 9.786 -4.257 -8.617 1.00 . A A . 16 ALA HB1 1 1 16 3580 1 1 16 ALA HB2 H 10.841 -4.118 -10.022 1.00 . A A . 16 ALA HB2 1 1 16 3581 1 1 16 ALA HB3 H 9.395 -5.127 -10.101 1.00 . A A . 16 ALA HB3 1 1 16 3582 1 1 16 ALA N N 7.597 -3.208 -9.870 1.00 . A A . 16 ALA N 1 1 16 3583 1 1 16 ALA O O 9.379 -1.654 -12.098 1.00 . A A . 16 ALA O 1 1 16 3584 1 1 16 ALA OXT O 9.216 -3.824 -12.420 1.00 . A A . 16 ALA OXT 1 1 17 3585 1 1 1 GLY C C -6.895 5.253 -5.466 1.00 . A A . 1 GLY C 1 1 17 3586 1 1 1 GLY CA C -6.520 6.207 -6.585 1.00 . A A . 1 GLY CA 1 1 17 3587 1 1 1 GLY H1 H -4.833 6.955 -7.562 1.00 . A A . 1 GLY H1 1 1 17 3588 1 1 1 GLY H2 H -4.651 5.372 -6.996 1.00 . A A . 1 GLY H2 1 1 17 3589 1 1 1 GLY H3 H -4.599 6.669 -5.911 1.00 . A A . 1 GLY H3 1 1 17 3590 1 1 1 GLY HA2 H -6.911 7.186 -6.353 1.00 . A A . 1 GLY HA2 1 1 17 3591 1 1 1 GLY HA3 H -6.969 5.861 -7.504 1.00 . A A . 1 GLY HA3 1 1 17 3592 1 1 1 GLY N N -5.048 6.308 -6.777 1.00 . A A . 1 GLY N 1 1 17 3593 1 1 1 GLY O O -7.684 5.595 -4.587 1.00 . A A . 1 GLY O 1 1 17 3594 1 1 2 ALA C C -8.087 2.699 -4.442 1.00 . A A . 2 ALA C 1 1 17 3595 1 1 2 ALA CA C -6.602 3.044 -4.486 1.00 . A A . 2 ALA CA 1 1 17 3596 1 1 2 ALA CB C -6.129 3.527 -3.123 1.00 . A A . 2 ALA CB 1 1 17 3597 1 1 2 ALA H H -5.705 3.839 -6.230 1.00 . A A . 2 ALA H 1 1 17 3598 1 1 2 ALA HA H -6.045 2.154 -4.740 1.00 . A A . 2 ALA HA 1 1 17 3599 1 1 2 ALA HB1 H -6.220 4.602 -3.070 1.00 . A A . 2 ALA HB1 1 1 17 3600 1 1 2 ALA HB2 H -5.095 3.245 -2.980 1.00 . A A . 2 ALA HB2 1 1 17 3601 1 1 2 ALA HB3 H -6.734 3.075 -2.351 1.00 . A A . 2 ALA HB3 1 1 17 3602 1 1 2 ALA N N -6.326 4.051 -5.503 1.00 . A A . 2 ALA N 1 1 17 3603 1 1 2 ALA O O -8.673 2.567 -3.367 1.00 . A A . 2 ALA O 1 1 17 3604 1 1 3 ALA C C -10.334 0.729 -5.532 1.00 . A A . 3 ALA C 1 1 17 3605 1 1 3 ALA CA C -10.106 2.225 -5.712 1.00 . A A . 3 ALA CA 1 1 17 3606 1 1 3 ALA CB C -10.668 2.688 -7.048 1.00 . A A . 3 ALA CB 1 1 17 3607 1 1 3 ALA H H -8.171 2.674 -6.439 1.00 . A A . 3 ALA H 1 1 17 3608 1 1 3 ALA HA H -10.626 2.755 -4.927 1.00 . A A . 3 ALA HA 1 1 17 3609 1 1 3 ALA HB1 H -10.083 2.265 -7.850 1.00 . A A . 3 ALA HB1 1 1 17 3610 1 1 3 ALA HB2 H -10.625 3.767 -7.102 1.00 . A A . 3 ALA HB2 1 1 17 3611 1 1 3 ALA HB3 H -11.694 2.364 -7.139 1.00 . A A . 3 ALA HB3 1 1 17 3612 1 1 3 ALA N N -8.691 2.555 -5.617 1.00 . A A . 3 ALA N 1 1 17 3613 1 1 3 ALA O O -11.336 0.308 -4.953 1.00 . A A . 3 ALA O 1 1 17 3614 1 1 4 ILE C C -8.875 -2.032 -4.642 1.00 . A A . 4 ILE C 1 1 17 3615 1 1 4 ILE CA C -9.490 -1.512 -5.939 1.00 . A A . 4 ILE CA 1 1 17 3616 1 1 4 ILE CB C -8.775 -2.167 -7.129 1.00 . A A . 4 ILE CB 1 1 17 3617 1 1 4 ILE CD1 C -6.523 -2.395 -8.295 1.00 . A A . 4 ILE CD1 1 1 17 3618 1 1 4 ILE CG1 C -7.297 -1.767 -7.156 1.00 . A A . 4 ILE CG1 1 1 17 3619 1 1 4 ILE CG2 C -9.457 -1.788 -8.434 1.00 . A A . 4 ILE CG2 1 1 17 3620 1 1 4 ILE H H -8.628 0.314 -6.489 1.00 . A A . 4 ILE H 1 1 17 3621 1 1 4 ILE HA H -10.533 -1.789 -5.975 1.00 . A A . 4 ILE HA 1 1 17 3622 1 1 4 ILE HB H -8.847 -3.224 -7.011 1.00 . A A . 4 ILE HB 1 1 17 3623 1 1 4 ILE HD11 H -6.787 -1.910 -9.221 1.00 . A A . 4 ILE HD11 1 1 17 3624 1 1 4 ILE HD12 H -6.765 -3.446 -8.357 1.00 . A A . 4 ILE HD12 1 1 17 3625 1 1 4 ILE HD13 H -5.465 -2.281 -8.116 1.00 . A A . 4 ILE HD13 1 1 17 3626 1 1 4 ILE HG12 H -7.220 -0.696 -7.258 1.00 . A A . 4 ILE HG12 1 1 17 3627 1 1 4 ILE HG13 H -6.832 -2.071 -6.229 1.00 . A A . 4 ILE HG13 1 1 17 3628 1 1 4 ILE HG21 H -9.451 -2.636 -9.103 1.00 . A A . 4 ILE HG21 1 1 17 3629 1 1 4 ILE HG22 H -8.927 -0.965 -8.893 1.00 . A A . 4 ILE HG22 1 1 17 3630 1 1 4 ILE HG23 H -10.476 -1.493 -8.236 1.00 . A A . 4 ILE HG23 1 1 17 3631 1 1 4 ILE N N -9.399 -0.072 -6.035 1.00 . A A . 4 ILE N 1 1 17 3632 1 1 4 ILE O O -8.696 -3.239 -4.473 1.00 . A A . 4 ILE O 1 1 17 3633 1 1 5 GLY C C -6.534 -2.035 -2.637 1.00 . A A . 5 GLY C 1 1 17 3634 1 1 5 GLY CA C -7.952 -1.522 -2.468 1.00 . A A . 5 GLY CA 1 1 17 3635 1 1 5 GLY H H -8.704 -0.173 -3.912 1.00 . A A . 5 GLY H 1 1 17 3636 1 1 5 GLY HA2 H -7.938 -0.672 -1.803 1.00 . A A . 5 GLY HA2 1 1 17 3637 1 1 5 GLY HA3 H -8.555 -2.302 -2.029 1.00 . A A . 5 GLY HA3 1 1 17 3638 1 1 5 GLY N N -8.546 -1.122 -3.728 1.00 . A A . 5 GLY N 1 1 17 3639 1 1 5 GLY O O -6.045 -2.808 -1.813 1.00 . A A . 5 GLY O 1 1 17 3640 1 1 6 LEU C C -3.509 -1.038 -3.390 1.00 . A A . 6 LEU C 1 1 17 3641 1 1 6 LEU CA C -4.506 -2.030 -3.984 1.00 . A A . 6 LEU CA 1 1 17 3642 1 1 6 LEU CB C -4.286 -2.168 -5.494 1.00 . A A . 6 LEU CB 1 1 17 3643 1 1 6 LEU CD1 C -2.669 -4.076 -5.317 1.00 . A A . 6 LEU CD1 1 1 17 3644 1 1 6 LEU CD2 C -2.795 -2.741 -7.426 1.00 . A A . 6 LEU CD2 1 1 17 3645 1 1 6 LEU CG C -2.911 -2.697 -5.910 1.00 . A A . 6 LEU CG 1 1 17 3646 1 1 6 LEU H H -6.317 -0.991 -4.332 1.00 . A A . 6 LEU H 1 1 17 3647 1 1 6 LEU HA H -4.358 -2.991 -3.517 1.00 . A A . 6 LEU HA 1 1 17 3648 1 1 6 LEU HB2 H -5.038 -2.838 -5.885 1.00 . A A . 6 LEU HB2 1 1 17 3649 1 1 6 LEU HB3 H -4.423 -1.197 -5.946 1.00 . A A . 6 LEU HB3 1 1 17 3650 1 1 6 LEU HD11 H -3.452 -4.749 -5.636 1.00 . A A . 6 LEU HD11 1 1 17 3651 1 1 6 LEU HD12 H -2.668 -4.011 -4.239 1.00 . A A . 6 LEU HD12 1 1 17 3652 1 1 6 LEU HD13 H -1.714 -4.453 -5.655 1.00 . A A . 6 LEU HD13 1 1 17 3653 1 1 6 LEU HD21 H -1.832 -3.143 -7.702 1.00 . A A . 6 LEU HD21 1 1 17 3654 1 1 6 LEU HD22 H -2.898 -1.742 -7.824 1.00 . A A . 6 LEU HD22 1 1 17 3655 1 1 6 LEU HD23 H -3.576 -3.371 -7.829 1.00 . A A . 6 LEU HD23 1 1 17 3656 1 1 6 LEU HG H -2.145 -2.036 -5.535 1.00 . A A . 6 LEU HG 1 1 17 3657 1 1 6 LEU N N -5.875 -1.606 -3.710 1.00 . A A . 6 LEU N 1 1 17 3658 1 1 6 LEU O O -2.586 -0.583 -4.064 1.00 . A A . 6 LEU O 1 1 17 3659 1 1 7 ALA C C -2.186 -0.433 -0.212 1.00 . A A . 7 ALA C 1 1 17 3660 1 1 7 ALA CA C -2.828 0.229 -1.427 1.00 . A A . 7 ALA CA 1 1 17 3661 1 1 7 ALA CB C -3.601 1.468 -1.007 1.00 . A A . 7 ALA CB 1 1 17 3662 1 1 7 ALA H H -4.460 -1.102 -1.633 1.00 . A A . 7 ALA H 1 1 17 3663 1 1 7 ALA HA H -2.052 0.531 -2.113 1.00 . A A . 7 ALA HA 1 1 17 3664 1 1 7 ALA HB1 H -2.973 2.339 -1.122 1.00 . A A . 7 ALA HB1 1 1 17 3665 1 1 7 ALA HB2 H -3.899 1.372 0.027 1.00 . A A . 7 ALA HB2 1 1 17 3666 1 1 7 ALA HB3 H -4.477 1.571 -1.628 1.00 . A A . 7 ALA HB3 1 1 17 3667 1 1 7 ALA N N -3.705 -0.706 -2.117 1.00 . A A . 7 ALA N 1 1 17 3668 1 1 7 ALA O O -2.087 0.167 0.859 1.00 . A A . 7 ALA O 1 1 17 3669 1 1 8 TRP C C 0.283 -2.864 0.261 1.00 . A A . 8 TRP C 1 1 17 3670 1 1 8 TRP CA C -1.114 -2.429 0.677 1.00 . A A . 8 TRP CA 1 1 17 3671 1 1 8 TRP CB C -1.934 -3.672 1.007 1.00 . A A . 8 TRP CB 1 1 17 3672 1 1 8 TRP CD1 C -3.064 -4.340 -1.193 1.00 . A A . 8 TRP CD1 1 1 17 3673 1 1 8 TRP CD2 C -1.406 -5.700 -0.556 1.00 . A A . 8 TRP CD2 1 1 17 3674 1 1 8 TRP CE2 C -1.937 -6.178 -1.769 1.00 . A A . 8 TRP CE2 1 1 17 3675 1 1 8 TRP CE3 C -0.344 -6.391 0.033 1.00 . A A . 8 TRP CE3 1 1 17 3676 1 1 8 TRP CG C -2.157 -4.540 -0.193 1.00 . A A . 8 TRP CG 1 1 17 3677 1 1 8 TRP CH2 C -0.396 -7.966 -1.807 1.00 . A A . 8 TRP CH2 1 1 17 3678 1 1 8 TRP CZ2 C -1.440 -7.313 -2.404 1.00 . A A . 8 TRP CZ2 1 1 17 3679 1 1 8 TRP CZ3 C 0.151 -7.514 -0.599 1.00 . A A . 8 TRP CZ3 1 1 17 3680 1 1 8 TRP H H -1.858 -2.091 -1.277 1.00 . A A . 8 TRP H 1 1 17 3681 1 1 8 TRP HA H -1.048 -1.799 1.551 1.00 . A A . 8 TRP HA 1 1 17 3682 1 1 8 TRP HB2 H -1.413 -4.256 1.754 1.00 . A A . 8 TRP HB2 1 1 17 3683 1 1 8 TRP HB3 H -2.900 -3.371 1.391 1.00 . A A . 8 TRP HB3 1 1 17 3684 1 1 8 TRP HD1 H -3.780 -3.532 -1.213 1.00 . A A . 8 TRP HD1 1 1 17 3685 1 1 8 TRP HE1 H -3.508 -5.422 -2.938 1.00 . A A . 8 TRP HE1 1 1 17 3686 1 1 8 TRP HE3 H 0.091 -6.057 0.963 1.00 . A A . 8 TRP HE3 1 1 17 3687 1 1 8 TRP HH2 H 0.023 -8.847 -2.267 1.00 . A A . 8 TRP HH2 1 1 17 3688 1 1 8 TRP HZ2 H -1.851 -7.674 -3.335 1.00 . A A . 8 TRP HZ2 1 1 17 3689 1 1 8 TRP HZ3 H 0.977 -8.056 -0.161 1.00 . A A . 8 TRP HZ3 1 1 17 3690 1 1 8 TRP N N -1.751 -1.671 -0.393 1.00 . A A . 8 TRP N 1 1 17 3691 1 1 8 TRP NE1 N -2.954 -5.336 -2.133 1.00 . A A . 8 TRP NE1 1 1 17 3692 1 1 8 TRP O O 1.199 -2.944 1.080 1.00 . A A . 8 TRP O 1 1 17 3693 1 1 9 ILE C C 2.805 -2.564 -1.438 1.00 . A A . 9 ILE C 1 1 17 3694 1 1 9 ILE CA C 1.688 -3.607 -1.581 1.00 . A A . 9 ILE CA 1 1 17 3695 1 1 9 ILE CB C 1.535 -3.988 -3.061 1.00 . A A . 9 ILE CB 1 1 17 3696 1 1 9 ILE CD1 C 2.824 -4.771 -5.098 1.00 . A A . 9 ILE CD1 1 1 17 3697 1 1 9 ILE CG1 C 2.866 -4.494 -3.613 1.00 . A A . 9 ILE CG1 1 1 17 3698 1 1 9 ILE CG2 C 1.023 -2.809 -3.874 1.00 . A A . 9 ILE CG2 1 1 17 3699 1 1 9 ILE H H -0.352 -3.083 -1.614 1.00 . A A . 9 ILE H 1 1 17 3700 1 1 9 ILE HA H 1.982 -4.494 -1.041 1.00 . A A . 9 ILE HA 1 1 17 3701 1 1 9 ILE HB H 0.806 -4.781 -3.128 1.00 . A A . 9 ILE HB 1 1 17 3702 1 1 9 ILE HD11 H 3.571 -4.172 -5.597 1.00 . A A . 9 ILE HD11 1 1 17 3703 1 1 9 ILE HD12 H 1.845 -4.517 -5.479 1.00 . A A . 9 ILE HD12 1 1 17 3704 1 1 9 ILE HD13 H 3.021 -5.817 -5.274 1.00 . A A . 9 ILE HD13 1 1 17 3705 1 1 9 ILE HG12 H 3.631 -3.755 -3.424 1.00 . A A . 9 ILE HG12 1 1 17 3706 1 1 9 ILE HG13 H 3.129 -5.413 -3.111 1.00 . A A . 9 ILE HG13 1 1 17 3707 1 1 9 ILE HG21 H 0.164 -2.379 -3.381 1.00 . A A . 9 ILE HG21 1 1 17 3708 1 1 9 ILE HG22 H 0.739 -3.148 -4.859 1.00 . A A . 9 ILE HG22 1 1 17 3709 1 1 9 ILE HG23 H 1.800 -2.065 -3.958 1.00 . A A . 9 ILE HG23 1 1 17 3710 1 1 9 ILE N N 0.425 -3.158 -1.024 1.00 . A A . 9 ILE N 1 1 17 3711 1 1 9 ILE O O 3.949 -2.933 -1.172 1.00 . A A . 9 ILE O 1 1 17 3712 1 1 10 PRO C C 4.457 -0.443 -0.279 1.00 . A A . 10 PRO C 1 1 17 3713 1 1 10 PRO CA C 3.535 -0.200 -1.468 1.00 . A A . 10 PRO CA 1 1 17 3714 1 1 10 PRO CB C 2.712 1.085 -1.266 1.00 . A A . 10 PRO CB 1 1 17 3715 1 1 10 PRO CD C 1.209 -0.657 -1.904 1.00 . A A . 10 PRO CD 1 1 17 3716 1 1 10 PRO CG C 1.290 0.637 -1.155 1.00 . A A . 10 PRO CG 1 1 17 3717 1 1 10 PRO HA H 4.127 -0.113 -2.368 1.00 . A A . 10 PRO HA 1 1 17 3718 1 1 10 PRO HB2 H 3.037 1.585 -0.366 1.00 . A A . 10 PRO HB2 1 1 17 3719 1 1 10 PRO HB3 H 2.851 1.740 -2.114 1.00 . A A . 10 PRO HB3 1 1 17 3720 1 1 10 PRO HD2 H 0.399 -1.260 -1.530 1.00 . A A . 10 PRO HD2 1 1 17 3721 1 1 10 PRO HD3 H 1.102 -0.481 -2.965 1.00 . A A . 10 PRO HD3 1 1 17 3722 1 1 10 PRO HG2 H 1.036 0.482 -0.116 1.00 . A A . 10 PRO HG2 1 1 17 3723 1 1 10 PRO HG3 H 0.634 1.370 -1.600 1.00 . A A . 10 PRO HG3 1 1 17 3724 1 1 10 PRO N N 2.516 -1.250 -1.598 1.00 . A A . 10 PRO N 1 1 17 3725 1 1 10 PRO O O 5.611 -0.018 -0.272 1.00 . A A . 10 PRO O 1 1 17 3726 1 1 11 TYR C C 5.955 -2.271 1.539 1.00 . A A . 11 TYR C 1 1 17 3727 1 1 11 TYR CA C 4.702 -1.487 1.906 1.00 . A A . 11 TYR CA 1 1 17 3728 1 1 11 TYR CB C 3.843 -2.309 2.866 1.00 . A A . 11 TYR CB 1 1 17 3729 1 1 11 TYR CD1 C 1.756 -0.866 2.848 1.00 . A A . 11 TYR CD1 1 1 17 3730 1 1 11 TYR CD2 C 2.738 -1.414 4.951 1.00 . A A . 11 TYR CD2 1 1 17 3731 1 1 11 TYR CE1 C 0.770 -0.143 3.494 1.00 . A A . 11 TYR CE1 1 1 17 3732 1 1 11 TYR CE2 C 1.755 -0.694 5.603 1.00 . A A . 11 TYR CE2 1 1 17 3733 1 1 11 TYR CG C 2.757 -1.514 3.564 1.00 . A A . 11 TYR CG 1 1 17 3734 1 1 11 TYR CZ C 0.774 -0.060 4.870 1.00 . A A . 11 TYR CZ 1 1 17 3735 1 1 11 TYR H H 3.018 -1.475 0.641 1.00 . A A . 11 TYR H 1 1 17 3736 1 1 11 TYR HA H 4.991 -0.566 2.390 1.00 . A A . 11 TYR HA 1 1 17 3737 1 1 11 TYR HB2 H 3.362 -3.100 2.306 1.00 . A A . 11 TYR HB2 1 1 17 3738 1 1 11 TYR HB3 H 4.478 -2.746 3.622 1.00 . A A . 11 TYR HB3 1 1 17 3739 1 1 11 TYR HD1 H 1.751 -0.929 1.773 1.00 . A A . 11 TYR HD1 1 1 17 3740 1 1 11 TYR HD2 H 3.508 -1.911 5.522 1.00 . A A . 11 TYR HD2 1 1 17 3741 1 1 11 TYR HE1 H 0.001 0.353 2.921 1.00 . A A . 11 TYR HE1 1 1 17 3742 1 1 11 TYR HE2 H 1.759 -0.630 6.681 1.00 . A A . 11 TYR HE2 1 1 17 3743 1 1 11 TYR HH H 0.176 1.120 6.265 1.00 . A A . 11 TYR HH 1 1 17 3744 1 1 11 TYR N N 3.937 -1.153 0.716 1.00 . A A . 11 TYR N 1 1 17 3745 1 1 11 TYR O O 7.052 -1.967 2.006 1.00 . A A . 11 TYR O 1 1 17 3746 1 1 11 TYR OH O -0.206 0.658 5.516 1.00 . A A . 11 TYR OH 1 1 17 3747 1 1 12 PHE C C 7.815 -3.371 -0.693 1.00 . A A . 12 PHE C 1 1 17 3748 1 1 12 PHE CA C 6.899 -4.121 0.269 1.00 . A A . 12 PHE CA 1 1 17 3749 1 1 12 PHE CB C 6.386 -5.404 -0.387 1.00 . A A . 12 PHE CB 1 1 17 3750 1 1 12 PHE CD1 C 6.183 -6.789 1.693 1.00 . A A . 12 PHE CD1 1 1 17 3751 1 1 12 PHE CD2 C 4.272 -6.582 0.282 1.00 . A A . 12 PHE CD2 1 1 17 3752 1 1 12 PHE CE1 C 5.461 -7.592 2.557 1.00 . A A . 12 PHE CE1 1 1 17 3753 1 1 12 PHE CE2 C 3.547 -7.383 1.141 1.00 . A A . 12 PHE CE2 1 1 17 3754 1 1 12 PHE CG C 5.597 -6.276 0.547 1.00 . A A . 12 PHE CG 1 1 17 3755 1 1 12 PHE CZ C 4.142 -7.889 2.280 1.00 . A A . 12 PHE CZ 1 1 17 3756 1 1 12 PHE H H 4.878 -3.482 0.362 1.00 . A A . 12 PHE H 1 1 17 3757 1 1 12 PHE HA H 7.467 -4.385 1.149 1.00 . A A . 12 PHE HA 1 1 17 3758 1 1 12 PHE HB2 H 5.744 -5.142 -1.219 1.00 . A A . 12 PHE HB2 1 1 17 3759 1 1 12 PHE HB3 H 7.228 -5.977 -0.749 1.00 . A A . 12 PHE HB3 1 1 17 3760 1 1 12 PHE HD1 H 7.215 -6.557 1.910 1.00 . A A . 12 PHE HD1 1 1 17 3761 1 1 12 PHE HD2 H 3.806 -6.187 -0.610 1.00 . A A . 12 PHE HD2 1 1 17 3762 1 1 12 PHE HE1 H 5.931 -7.986 3.446 1.00 . A A . 12 PHE HE1 1 1 17 3763 1 1 12 PHE HE2 H 2.515 -7.614 0.924 1.00 . A A . 12 PHE HE2 1 1 17 3764 1 1 12 PHE HZ H 3.577 -8.516 2.953 1.00 . A A . 12 PHE HZ 1 1 17 3765 1 1 12 PHE N N 5.781 -3.287 0.699 1.00 . A A . 12 PHE N 1 1 17 3766 1 1 12 PHE O O 8.988 -3.719 -0.843 1.00 . A A . 12 PHE O 1 1 17 3767 1 1 13 GLY C C 7.237 -0.869 -3.330 1.00 . A A . 13 GLY C 1 1 17 3768 1 1 13 GLY CA C 8.080 -1.566 -2.277 1.00 . A A . 13 GLY CA 1 1 17 3769 1 1 13 GLY H H 6.344 -2.103 -1.187 1.00 . A A . 13 GLY H 1 1 17 3770 1 1 13 GLY HA2 H 8.639 -0.824 -1.727 1.00 . A A . 13 GLY HA2 1 1 17 3771 1 1 13 GLY HA3 H 8.776 -2.227 -2.772 1.00 . A A . 13 GLY HA3 1 1 17 3772 1 1 13 GLY N N 7.283 -2.340 -1.344 1.00 . A A . 13 GLY N 1 1 17 3773 1 1 13 GLY O O 6.710 -1.519 -4.234 1.00 . A A . 13 GLY O 1 1 17 3774 1 1 14 PRO C C 7.038 1.432 -5.530 1.00 . A A . 14 PRO C 1 1 17 3775 1 1 14 PRO CA C 6.300 1.233 -4.213 1.00 . A A . 14 PRO CA 1 1 17 3776 1 1 14 PRO CB C 6.092 2.571 -3.508 1.00 . A A . 14 PRO CB 1 1 17 3777 1 1 14 PRO CD C 7.680 1.333 -2.206 1.00 . A A . 14 PRO CD 1 1 17 3778 1 1 14 PRO CG C 7.291 2.724 -2.636 1.00 . A A . 14 PRO CG 1 1 17 3779 1 1 14 PRO HA H 5.342 0.769 -4.402 1.00 . A A . 14 PRO HA 1 1 17 3780 1 1 14 PRO HB2 H 6.032 3.363 -4.241 1.00 . A A . 14 PRO HB2 1 1 17 3781 1 1 14 PRO HB3 H 5.182 2.540 -2.924 1.00 . A A . 14 PRO HB3 1 1 17 3782 1 1 14 PRO HD2 H 8.754 1.231 -2.187 1.00 . A A . 14 PRO HD2 1 1 17 3783 1 1 14 PRO HD3 H 7.263 1.109 -1.236 1.00 . A A . 14 PRO HD3 1 1 17 3784 1 1 14 PRO HG2 H 8.095 3.180 -3.195 1.00 . A A . 14 PRO HG2 1 1 17 3785 1 1 14 PRO HG3 H 7.044 3.326 -1.774 1.00 . A A . 14 PRO HG3 1 1 17 3786 1 1 14 PRO N N 7.088 0.467 -3.246 1.00 . A A . 14 PRO N 1 1 17 3787 1 1 14 PRO O O 8.266 1.516 -5.558 1.00 . A A . 14 PRO O 1 1 17 3788 1 1 15 ALA C C 7.829 0.560 -8.285 1.00 . A A . 15 ALA C 1 1 17 3789 1 1 15 ALA CA C 6.871 1.697 -7.943 1.00 . A A . 15 ALA CA 1 1 17 3790 1 1 15 ALA CB C 7.591 3.036 -8.013 1.00 . A A . 15 ALA CB 1 1 17 3791 1 1 15 ALA H H 5.311 1.436 -6.539 1.00 . A A . 15 ALA H 1 1 17 3792 1 1 15 ALA HA H 6.069 1.709 -8.667 1.00 . A A . 15 ALA HA 1 1 17 3793 1 1 15 ALA HB1 H 7.811 3.378 -7.012 1.00 . A A . 15 ALA HB1 1 1 17 3794 1 1 15 ALA HB2 H 6.961 3.759 -8.509 1.00 . A A . 15 ALA HB2 1 1 17 3795 1 1 15 ALA HB3 H 8.513 2.924 -8.565 1.00 . A A . 15 ALA HB3 1 1 17 3796 1 1 15 ALA N N 6.284 1.509 -6.623 1.00 . A A . 15 ALA N 1 1 17 3797 1 1 15 ALA O O 7.928 -0.422 -7.550 1.00 . A A . 15 ALA O 1 1 17 3798 1 1 16 ALA C C 8.779 -1.648 -10.098 1.00 . A A . 16 ALA C 1 1 17 3799 1 1 16 ALA CA C 9.479 -0.317 -9.844 1.00 . A A . 16 ALA CA 1 1 17 3800 1 1 16 ALA CB C 10.583 -0.488 -8.811 1.00 . A A . 16 ALA CB 1 1 17 3801 1 1 16 ALA H H 8.408 1.504 -9.951 1.00 . A A . 16 ALA H 1 1 17 3802 1 1 16 ALA HA H 9.930 0.023 -10.765 1.00 . A A . 16 ALA HA 1 1 17 3803 1 1 16 ALA HB1 H 11.242 -1.287 -9.119 1.00 . A A . 16 ALA HB1 1 1 17 3804 1 1 16 ALA HB2 H 10.146 -0.728 -7.853 1.00 . A A . 16 ALA HB2 1 1 17 3805 1 1 16 ALA HB3 H 11.146 0.430 -8.730 1.00 . A A . 16 ALA HB3 1 1 17 3806 1 1 16 ALA N N 8.530 0.699 -9.406 1.00 . A A . 16 ALA N 1 1 17 3807 1 1 16 ALA O O 8.697 -2.462 -9.154 1.00 . A A . 16 ALA O 1 1 17 3808 1 1 16 ALA OXT O 8.320 -1.866 -11.239 1.00 . A A . 16 ALA OXT 1 1 18 3809 1 1 1 GLY C C -4.941 3.463 -3.910 1.00 . A A . 1 GLY C 1 1 18 3810 1 1 1 GLY CA C -4.248 4.598 -4.640 1.00 . A A . 1 GLY CA 1 1 18 3811 1 1 1 GLY H1 H -5.400 6.333 -4.795 1.00 . A A . 1 GLY H1 1 1 18 3812 1 1 1 GLY H2 H -6.100 4.978 -5.527 1.00 . A A . 1 GLY H2 1 1 18 3813 1 1 1 GLY H3 H -4.806 5.769 -6.277 1.00 . A A . 1 GLY H3 1 1 18 3814 1 1 1 GLY HA2 H -3.553 4.180 -5.353 1.00 . A A . 1 GLY HA2 1 1 18 3815 1 1 1 GLY HA3 H -3.699 5.190 -3.921 1.00 . A A . 1 GLY HA3 1 1 18 3816 1 1 1 GLY N N -5.206 5.481 -5.359 1.00 . A A . 1 GLY N 1 1 18 3817 1 1 1 GLY O O -4.455 2.333 -3.902 1.00 . A A . 1 GLY O 1 1 18 3818 1 1 2 ALA C C -8.217 2.555 -3.183 1.00 . A A . 2 ALA C 1 1 18 3819 1 1 2 ALA CA C -6.842 2.765 -2.559 1.00 . A A . 2 ALA CA 1 1 18 3820 1 1 2 ALA CB C -6.978 3.175 -1.100 1.00 . A A . 2 ALA CB 1 1 18 3821 1 1 2 ALA H H -6.416 4.686 -3.337 1.00 . A A . 2 ALA H 1 1 18 3822 1 1 2 ALA HA H -6.294 1.834 -2.598 1.00 . A A . 2 ALA HA 1 1 18 3823 1 1 2 ALA HB1 H -6.938 4.251 -1.022 1.00 . A A . 2 ALA HB1 1 1 18 3824 1 1 2 ALA HB2 H -6.171 2.740 -0.527 1.00 . A A . 2 ALA HB2 1 1 18 3825 1 1 2 ALA HB3 H -7.924 2.820 -0.713 1.00 . A A . 2 ALA HB3 1 1 18 3826 1 1 2 ALA N N -6.079 3.767 -3.295 1.00 . A A . 2 ALA N 1 1 18 3827 1 1 2 ALA O O -9.181 2.229 -2.489 1.00 . A A . 2 ALA O 1 1 18 3828 1 1 3 ALA C C -9.751 1.129 -5.655 1.00 . A A . 3 ALA C 1 1 18 3829 1 1 3 ALA CA C -9.560 2.576 -5.212 1.00 . A A . 3 ALA CA 1 1 18 3830 1 1 3 ALA CB C -9.611 3.508 -6.414 1.00 . A A . 3 ALA CB 1 1 18 3831 1 1 3 ALA H H -7.499 3.003 -4.994 1.00 . A A . 3 ALA H 1 1 18 3832 1 1 3 ALA HA H -10.364 2.846 -4.543 1.00 . A A . 3 ALA HA 1 1 18 3833 1 1 3 ALA HB1 H -10.439 3.231 -7.049 1.00 . A A . 3 ALA HB1 1 1 18 3834 1 1 3 ALA HB2 H -8.689 3.428 -6.970 1.00 . A A . 3 ALA HB2 1 1 18 3835 1 1 3 ALA HB3 H -9.741 4.525 -6.076 1.00 . A A . 3 ALA HB3 1 1 18 3836 1 1 3 ALA N N -8.302 2.744 -4.496 1.00 . A A . 3 ALA N 1 1 18 3837 1 1 3 ALA O O -10.798 0.529 -5.417 1.00 . A A . 3 ALA O 1 1 18 3838 1 1 4 ILE C C -8.428 -1.786 -5.671 1.00 . A A . 4 ILE C 1 1 18 3839 1 1 4 ILE CA C -8.775 -0.791 -6.778 1.00 . A A . 4 ILE CA 1 1 18 3840 1 1 4 ILE CB C -7.794 -0.977 -7.943 1.00 . A A . 4 ILE CB 1 1 18 3841 1 1 4 ILE CD1 C -5.336 -0.851 -8.594 1.00 . A A . 4 ILE CD1 1 1 18 3842 1 1 4 ILE CG1 C -6.362 -0.664 -7.499 1.00 . A A . 4 ILE CG1 1 1 18 3843 1 1 4 ILE CG2 C -8.194 -0.101 -9.120 1.00 . A A . 4 ILE CG2 1 1 18 3844 1 1 4 ILE H H -7.921 1.094 -6.464 1.00 . A A . 4 ILE H 1 1 18 3845 1 1 4 ILE HA H -9.773 -0.992 -7.137 1.00 . A A . 4 ILE HA 1 1 18 3846 1 1 4 ILE HB H -7.845 -1.997 -8.255 1.00 . A A . 4 ILE HB 1 1 18 3847 1 1 4 ILE HD11 H -4.502 -1.422 -8.213 1.00 . A A . 4 ILE HD11 1 1 18 3848 1 1 4 ILE HD12 H -4.986 0.115 -8.929 1.00 . A A . 4 ILE HD12 1 1 18 3849 1 1 4 ILE HD13 H -5.785 -1.378 -9.423 1.00 . A A . 4 ILE HD13 1 1 18 3850 1 1 4 ILE HG12 H -6.309 0.362 -7.168 1.00 . A A . 4 ILE HG12 1 1 18 3851 1 1 4 ILE HG13 H -6.096 -1.315 -6.678 1.00 . A A . 4 ILE HG13 1 1 18 3852 1 1 4 ILE HG21 H -7.475 -0.220 -9.918 1.00 . A A . 4 ILE HG21 1 1 18 3853 1 1 4 ILE HG22 H -8.218 0.933 -8.808 1.00 . A A . 4 ILE HG22 1 1 18 3854 1 1 4 ILE HG23 H -9.173 -0.394 -9.471 1.00 . A A . 4 ILE HG23 1 1 18 3855 1 1 4 ILE N N -8.729 0.574 -6.300 1.00 . A A . 4 ILE N 1 1 18 3856 1 1 4 ILE O O -8.373 -2.994 -5.908 1.00 . A A . 4 ILE O 1 1 18 3857 1 1 5 GLY C C -6.365 -2.490 -3.335 1.00 . A A . 5 GLY C 1 1 18 3858 1 1 5 GLY CA C -7.841 -2.140 -3.354 1.00 . A A . 5 GLY CA 1 1 18 3859 1 1 5 GLY H H -8.237 -0.309 -4.331 1.00 . A A . 5 GLY H 1 1 18 3860 1 1 5 GLY HA2 H -8.095 -1.642 -2.430 1.00 . A A . 5 GLY HA2 1 1 18 3861 1 1 5 GLY HA3 H -8.415 -3.053 -3.428 1.00 . A A . 5 GLY HA3 1 1 18 3862 1 1 5 GLY N N -8.187 -1.276 -4.465 1.00 . A A . 5 GLY N 1 1 18 3863 1 1 5 GLY O O -5.953 -3.428 -2.653 1.00 . A A . 5 GLY O 1 1 18 3864 1 1 6 LEU C C -3.370 -0.883 -3.394 1.00 . A A . 6 LEU C 1 1 18 3865 1 1 6 LEU CA C -4.129 -1.972 -4.149 1.00 . A A . 6 LEU CA 1 1 18 3866 1 1 6 LEU CB C -3.666 -2.025 -5.607 1.00 . A A . 6 LEU CB 1 1 18 3867 1 1 6 LEU CD1 C -1.822 -3.671 -5.195 1.00 . A A . 6 LEU CD1 1 1 18 3868 1 1 6 LEU CD2 C -1.825 -2.299 -7.286 1.00 . A A . 6 LEU CD2 1 1 18 3869 1 1 6 LEU CG C -2.179 -2.325 -5.806 1.00 . A A . 6 LEU CG 1 1 18 3870 1 1 6 LEU H H -5.953 -0.999 -4.607 1.00 . A A . 6 LEU H 1 1 18 3871 1 1 6 LEU HA H -3.930 -2.924 -3.681 1.00 . A A . 6 LEU HA 1 1 18 3872 1 1 6 LEU HB2 H -4.237 -2.788 -6.116 1.00 . A A . 6 LEU HB2 1 1 18 3873 1 1 6 LEU HB3 H -3.881 -1.073 -6.067 1.00 . A A . 6 LEU HB3 1 1 18 3874 1 1 6 LEU HD11 H -1.481 -3.527 -4.180 1.00 . A A . 6 LEU HD11 1 1 18 3875 1 1 6 LEU HD12 H -1.037 -4.133 -5.775 1.00 . A A . 6 LEU HD12 1 1 18 3876 1 1 6 LEU HD13 H -2.692 -4.310 -5.195 1.00 . A A . 6 LEU HD13 1 1 18 3877 1 1 6 LEU HD21 H -1.474 -1.314 -7.554 1.00 . A A . 6 LEU HD21 1 1 18 3878 1 1 6 LEU HD22 H -2.701 -2.541 -7.869 1.00 . A A . 6 LEU HD22 1 1 18 3879 1 1 6 LEU HD23 H -1.049 -3.024 -7.483 1.00 . A A . 6 LEU HD23 1 1 18 3880 1 1 6 LEU HG H -1.594 -1.566 -5.307 1.00 . A A . 6 LEU HG 1 1 18 3881 1 1 6 LEU N N -5.567 -1.733 -4.085 1.00 . A A . 6 LEU N 1 1 18 3882 1 1 6 LEU O O -2.583 -0.138 -3.977 1.00 . A A . 6 LEU O 1 1 18 3883 1 1 7 ALA C C -2.316 -0.455 -0.035 1.00 . A A . 7 ALA C 1 1 18 3884 1 1 7 ALA CA C -2.962 0.197 -1.252 1.00 . A A . 7 ALA CA 1 1 18 3885 1 1 7 ALA CB C -3.959 1.254 -0.814 1.00 . A A . 7 ALA CB 1 1 18 3886 1 1 7 ALA H H -4.258 -1.420 -1.686 1.00 . A A . 7 ALA H 1 1 18 3887 1 1 7 ALA HA H -2.195 0.678 -1.840 1.00 . A A . 7 ALA HA 1 1 18 3888 1 1 7 ALA HB1 H -3.980 2.050 -1.542 1.00 . A A . 7 ALA HB1 1 1 18 3889 1 1 7 ALA HB2 H -3.663 1.650 0.147 1.00 . A A . 7 ALA HB2 1 1 18 3890 1 1 7 ALA HB3 H -4.940 0.811 -0.735 1.00 . A A . 7 ALA HB3 1 1 18 3891 1 1 7 ALA N N -3.617 -0.798 -2.091 1.00 . A A . 7 ALA N 1 1 18 3892 1 1 7 ALA O O -2.283 0.125 1.051 1.00 . A A . 7 ALA O 1 1 18 3893 1 1 8 TRP C C 0.240 -2.839 0.415 1.00 . A A . 8 TRP C 1 1 18 3894 1 1 8 TRP CA C -1.153 -2.402 0.846 1.00 . A A . 8 TRP CA 1 1 18 3895 1 1 8 TRP CB C -1.966 -3.642 1.204 1.00 . A A . 8 TRP CB 1 1 18 3896 1 1 8 TRP CD1 C -3.079 -4.360 -0.989 1.00 . A A . 8 TRP CD1 1 1 18 3897 1 1 8 TRP CD2 C -1.437 -5.715 -0.298 1.00 . A A . 8 TRP CD2 1 1 18 3898 1 1 8 TRP CE2 C -1.959 -6.222 -1.503 1.00 . A A . 8 TRP CE2 1 1 18 3899 1 1 8 TRP CE3 C -0.387 -6.397 0.323 1.00 . A A . 8 TRP CE3 1 1 18 3900 1 1 8 TRP CG C -2.183 -4.539 0.027 1.00 . A A . 8 TRP CG 1 1 18 3901 1 1 8 TRP CH2 C -0.432 -8.021 -1.476 1.00 . A A . 8 TRP CH2 1 1 18 3902 1 1 8 TRP CZ2 C -1.463 -7.376 -2.101 1.00 . A A . 8 TRP CZ2 1 1 18 3903 1 1 8 TRP CZ3 C 0.106 -7.541 -0.274 1.00 . A A . 8 TRP CZ3 1 1 18 3904 1 1 8 TRP H H -1.861 -2.067 -1.120 1.00 . A A . 8 TRP H 1 1 18 3905 1 1 8 TRP HA H -1.075 -1.759 1.709 1.00 . A A . 8 TRP HA 1 1 18 3906 1 1 8 TRP HB2 H -1.443 -4.206 1.966 1.00 . A A . 8 TRP HB2 1 1 18 3907 1 1 8 TRP HB3 H -2.934 -3.337 1.581 1.00 . A A . 8 TRP HB3 1 1 18 3908 1 1 8 TRP HD1 H -3.787 -3.547 -1.039 1.00 . A A . 8 TRP HD1 1 1 18 3909 1 1 8 TRP HE1 H -3.510 -5.484 -2.710 1.00 . A A . 8 TRP HE1 1 1 18 3910 1 1 8 TRP HE3 H 0.040 -6.042 1.248 1.00 . A A . 8 TRP HE3 1 1 18 3911 1 1 8 TRP HH2 H -0.013 -8.917 -1.906 1.00 . A A . 8 TRP HH2 1 1 18 3912 1 1 8 TRP HZ2 H -1.866 -7.759 -3.027 1.00 . A A . 8 TRP HZ2 1 1 18 3913 1 1 8 TRP HZ3 H 0.922 -8.076 0.189 1.00 . A A . 8 TRP HZ3 1 1 18 3914 1 1 8 TRP N N -1.803 -1.661 -0.228 1.00 . A A . 8 TRP N 1 1 18 3915 1 1 8 TRP NE1 N -2.965 -5.381 -1.902 1.00 . A A . 8 TRP NE1 1 1 18 3916 1 1 8 TRP O O 1.173 -2.887 1.217 1.00 . A A . 8 TRP O 1 1 18 3917 1 1 9 ILE C C 2.717 -2.570 -1.363 1.00 . A A . 9 ILE C 1 1 18 3918 1 1 9 ILE CA C 1.611 -3.628 -1.434 1.00 . A A . 9 ILE CA 1 1 18 3919 1 1 9 ILE CB C 1.430 -4.075 -2.894 1.00 . A A . 9 ILE CB 1 1 18 3920 1 1 9 ILE CD1 C 2.685 -4.942 -4.920 1.00 . A A . 9 ILE CD1 1 1 18 3921 1 1 9 ILE CG1 C 2.751 -4.602 -3.448 1.00 . A A . 9 ILE CG1 1 1 18 3922 1 1 9 ILE CG2 C 0.901 -2.930 -3.742 1.00 . A A . 9 ILE CG2 1 1 18 3923 1 1 9 ILE H H -0.435 -3.121 -1.440 1.00 . A A . 9 ILE H 1 1 18 3924 1 1 9 ILE HA H 1.928 -4.491 -0.865 1.00 . A A . 9 ILE HA 1 1 18 3925 1 1 9 ILE HB H 0.699 -4.869 -2.913 1.00 . A A . 9 ILE HB 1 1 18 3926 1 1 9 ILE HD11 H 3.425 -4.367 -5.457 1.00 . A A . 9 ILE HD11 1 1 18 3927 1 1 9 ILE HD12 H 1.701 -4.704 -5.297 1.00 . A A . 9 ILE HD12 1 1 18 3928 1 1 9 ILE HD13 H 2.878 -5.995 -5.055 1.00 . A A . 9 ILE HD13 1 1 18 3929 1 1 9 ILE HG12 H 3.520 -3.856 -3.305 1.00 . A A . 9 ILE HG12 1 1 18 3930 1 1 9 ILE HG13 H 3.025 -5.499 -2.912 1.00 . A A . 9 ILE HG13 1 1 18 3931 1 1 9 ILE HG21 H 0.052 -2.480 -3.252 1.00 . A A . 9 ILE HG21 1 1 18 3932 1 1 9 ILE HG22 H 0.600 -3.309 -4.708 1.00 . A A . 9 ILE HG22 1 1 18 3933 1 1 9 ILE HG23 H 1.676 -2.190 -3.871 1.00 . A A . 9 ILE HG23 1 1 18 3934 1 1 9 ILE N N 0.355 -3.173 -0.862 1.00 . A A . 9 ILE N 1 1 18 3935 1 1 9 ILE O O 3.875 -2.920 -1.137 1.00 . A A . 9 ILE O 1 1 18 3936 1 1 10 PRO C C 4.421 -0.422 -0.368 1.00 . A A . 10 PRO C 1 1 18 3937 1 1 10 PRO CA C 3.415 -0.198 -1.492 1.00 . A A . 10 PRO CA 1 1 18 3938 1 1 10 PRO CB C 2.588 1.076 -1.238 1.00 . A A . 10 PRO CB 1 1 18 3939 1 1 10 PRO CD C 1.085 -0.694 -1.826 1.00 . A A . 10 PRO CD 1 1 18 3940 1 1 10 PRO CG C 1.169 0.620 -1.107 1.00 . A A . 10 PRO CG 1 1 18 3941 1 1 10 PRO HA H 3.943 -0.106 -2.430 1.00 . A A . 10 PRO HA 1 1 18 3942 1 1 10 PRO HB2 H 2.932 1.554 -0.333 1.00 . A A . 10 PRO HB2 1 1 18 3943 1 1 10 PRO HB3 H 2.705 1.751 -2.072 1.00 . A A . 10 PRO HB3 1 1 18 3944 1 1 10 PRO HD2 H 0.294 -1.298 -1.414 1.00 . A A . 10 PRO HD2 1 1 18 3945 1 1 10 PRO HD3 H 0.942 -0.540 -2.886 1.00 . A A . 10 PRO HD3 1 1 18 3946 1 1 10 PRO HG2 H 0.925 0.487 -0.062 1.00 . A A . 10 PRO HG2 1 1 18 3947 1 1 10 PRO HG3 H 0.506 1.340 -1.560 1.00 . A A . 10 PRO HG3 1 1 18 3948 1 1 10 PRO N N 2.406 -1.263 -1.550 1.00 . A A . 10 PRO N 1 1 18 3949 1 1 10 PRO O O 5.578 -0.013 -0.460 1.00 . A A . 10 PRO O 1 1 18 3950 1 1 11 TYR C C 6.010 -2.259 1.371 1.00 . A A . 11 TYR C 1 1 18 3951 1 1 11 TYR CA C 4.824 -1.414 1.817 1.00 . A A . 11 TYR CA 1 1 18 3952 1 1 11 TYR CB C 4.025 -2.169 2.880 1.00 . A A . 11 TYR CB 1 1 18 3953 1 1 11 TYR CD1 C 1.943 -0.720 2.940 1.00 . A A . 11 TYR CD1 1 1 18 3954 1 1 11 TYR CD2 C 3.104 -1.118 4.983 1.00 . A A . 11 TYR CD2 1 1 18 3955 1 1 11 TYR CE1 C 1.017 0.055 3.615 1.00 . A A . 11 TYR CE1 1 1 18 3956 1 1 11 TYR CE2 C 2.182 -0.347 5.663 1.00 . A A . 11 TYR CE2 1 1 18 3957 1 1 11 TYR CG C 3.002 -1.320 3.612 1.00 . A A . 11 TYR CG 1 1 18 3958 1 1 11 TYR CZ C 1.141 0.238 4.975 1.00 . A A . 11 TYR CZ 1 1 18 3959 1 1 11 TYR H H 3.046 -1.414 0.683 1.00 . A A . 11 TYR H 1 1 18 3960 1 1 11 TYR HA H 5.185 -0.487 2.235 1.00 . A A . 11 TYR HA 1 1 18 3961 1 1 11 TYR HB2 H 3.496 -2.981 2.402 1.00 . A A . 11 TYR HB2 1 1 18 3962 1 1 11 TYR HB3 H 4.708 -2.573 3.612 1.00 . A A . 11 TYR HB3 1 1 18 3963 1 1 11 TYR HD1 H 1.843 -0.864 1.877 1.00 . A A . 11 TYR HD1 1 1 18 3964 1 1 11 TYR HD2 H 3.922 -1.576 5.521 1.00 . A A . 11 TYR HD2 1 1 18 3965 1 1 11 TYR HE1 H 0.201 0.511 3.075 1.00 . A A . 11 TYR HE1 1 1 18 3966 1 1 11 TYR HE2 H 2.280 -0.203 6.729 1.00 . A A . 11 TYR HE2 1 1 18 3967 1 1 11 TYR HH H 0.211 1.893 5.281 1.00 . A A . 11 TYR HH 1 1 18 3968 1 1 11 TYR N N 3.971 -1.100 0.682 1.00 . A A . 11 TYR N 1 1 18 3969 1 1 11 TYR O O 7.155 -1.983 1.729 1.00 . A A . 11 TYR O 1 1 18 3970 1 1 11 TYR OH O 0.221 1.006 5.649 1.00 . A A . 11 TYR OH 1 1 18 3971 1 1 12 PHE C C 7.791 -3.412 -0.738 1.00 . A A . 12 PHE C 1 1 18 3972 1 1 12 PHE CA C 6.760 -4.184 0.079 1.00 . A A . 12 PHE CA 1 1 18 3973 1 1 12 PHE CB C 6.136 -5.288 -0.778 1.00 . A A . 12 PHE CB 1 1 18 3974 1 1 12 PHE CD1 C 4.909 -5.996 1.312 1.00 . A A . 12 PHE CD1 1 1 18 3975 1 1 12 PHE CD2 C 4.497 -7.186 -0.713 1.00 . A A . 12 PHE CD2 1 1 18 3976 1 1 12 PHE CE1 C 4.014 -6.814 1.978 1.00 . A A . 12 PHE CE1 1 1 18 3977 1 1 12 PHE CE2 C 3.601 -8.005 -0.052 1.00 . A A . 12 PHE CE2 1 1 18 3978 1 1 12 PHE CG C 5.160 -6.172 -0.042 1.00 . A A . 12 PHE CG 1 1 18 3979 1 1 12 PHE CZ C 3.359 -7.819 1.295 1.00 . A A . 12 PHE CZ 1 1 18 3980 1 1 12 PHE H H 4.786 -3.456 0.335 1.00 . A A . 12 PHE H 1 1 18 3981 1 1 12 PHE HA H 7.254 -4.632 0.928 1.00 . A A . 12 PHE HA 1 1 18 3982 1 1 12 PHE HB2 H 5.608 -4.835 -1.605 1.00 . A A . 12 PHE HB2 1 1 18 3983 1 1 12 PHE HB3 H 6.929 -5.919 -1.165 1.00 . A A . 12 PHE HB3 1 1 18 3984 1 1 12 PHE HD1 H 5.419 -5.212 1.850 1.00 . A A . 12 PHE HD1 1 1 18 3985 1 1 12 PHE HD2 H 4.683 -7.335 -1.766 1.00 . A A . 12 PHE HD2 1 1 18 3986 1 1 12 PHE HE1 H 3.827 -6.665 3.031 1.00 . A A . 12 PHE HE1 1 1 18 3987 1 1 12 PHE HE2 H 3.089 -8.791 -0.588 1.00 . A A . 12 PHE HE2 1 1 18 3988 1 1 12 PHE HZ H 2.660 -8.458 1.813 1.00 . A A . 12 PHE HZ 1 1 18 3989 1 1 12 PHE N N 5.722 -3.291 0.584 1.00 . A A . 12 PHE N 1 1 18 3990 1 1 12 PHE O O 8.964 -3.778 -0.784 1.00 . A A . 12 PHE O 1 1 18 3991 1 1 13 GLY C C 7.570 -1.027 -3.461 1.00 . A A . 13 GLY C 1 1 18 3992 1 1 13 GLY CA C 8.234 -1.534 -2.196 1.00 . A A . 13 GLY CA 1 1 18 3993 1 1 13 GLY H H 6.394 -2.097 -1.313 1.00 . A A . 13 GLY H 1 1 18 3994 1 1 13 GLY HA2 H 8.567 -0.689 -1.612 1.00 . A A . 13 GLY HA2 1 1 18 3995 1 1 13 GLY HA3 H 9.093 -2.130 -2.468 1.00 . A A . 13 GLY HA3 1 1 18 3996 1 1 13 GLY N N 7.341 -2.341 -1.387 1.00 . A A . 13 GLY N 1 1 18 3997 1 1 13 GLY O O 7.002 0.065 -3.471 1.00 . A A . 13 GLY O 1 1 18 3998 1 1 14 PRO C C 5.494 -1.487 -5.796 1.00 . A A . 14 PRO C 1 1 18 3999 1 1 14 PRO CA C 7.016 -1.414 -5.832 1.00 . A A . 14 PRO CA 1 1 18 4000 1 1 14 PRO CB C 7.576 -2.443 -6.818 1.00 . A A . 14 PRO CB 1 1 18 4001 1 1 14 PRO CD C 8.282 -3.123 -4.637 1.00 . A A . 14 PRO CD 1 1 18 4002 1 1 14 PRO CG C 7.865 -3.642 -5.985 1.00 . A A . 14 PRO CG 1 1 18 4003 1 1 14 PRO HA H 7.323 -0.422 -6.130 1.00 . A A . 14 PRO HA 1 1 18 4004 1 1 14 PRO HB2 H 6.837 -2.655 -7.579 1.00 . A A . 14 PRO HB2 1 1 18 4005 1 1 14 PRO HB3 H 8.476 -2.053 -7.276 1.00 . A A . 14 PRO HB3 1 1 18 4006 1 1 14 PRO HD2 H 7.927 -3.777 -3.853 1.00 . A A . 14 PRO HD2 1 1 18 4007 1 1 14 PRO HD3 H 9.356 -3.021 -4.586 1.00 . A A . 14 PRO HD3 1 1 18 4008 1 1 14 PRO HG2 H 6.976 -4.248 -5.894 1.00 . A A . 14 PRO HG2 1 1 18 4009 1 1 14 PRO HG3 H 8.667 -4.214 -6.430 1.00 . A A . 14 PRO HG3 1 1 18 4010 1 1 14 PRO N N 7.623 -1.804 -4.557 1.00 . A A . 14 PRO N 1 1 18 4011 1 1 14 PRO O O 4.916 -2.566 -5.674 1.00 . A A . 14 PRO O 1 1 18 4012 1 1 15 ALA C C 2.844 0.181 -7.232 1.00 . A A . 15 ALA C 1 1 18 4013 1 1 15 ALA CA C 3.393 -0.262 -5.879 1.00 . A A . 15 ALA CA 1 1 18 4014 1 1 15 ALA CB C 2.925 0.684 -4.780 1.00 . A A . 15 ALA CB 1 1 18 4015 1 1 15 ALA H H 5.364 0.500 -5.995 1.00 . A A . 15 ALA H 1 1 18 4016 1 1 15 ALA HA H 3.017 -1.250 -5.655 1.00 . A A . 15 ALA HA 1 1 18 4017 1 1 15 ALA HB1 H 3.731 1.351 -4.514 1.00 . A A . 15 ALA HB1 1 1 18 4018 1 1 15 ALA HB2 H 2.632 0.111 -3.914 1.00 . A A . 15 ALA HB2 1 1 18 4019 1 1 15 ALA HB3 H 2.082 1.259 -5.134 1.00 . A A . 15 ALA HB3 1 1 18 4020 1 1 15 ALA N N 4.849 -0.329 -5.900 1.00 . A A . 15 ALA N 1 1 18 4021 1 1 15 ALA O O 2.321 1.286 -7.370 1.00 . A A . 15 ALA O 1 1 18 4022 1 1 16 ALA C C 2.572 -1.618 -10.471 1.00 . A A . 16 ALA C 1 1 18 4023 1 1 16 ALA CA C 2.486 -0.392 -9.570 1.00 . A A . 16 ALA CA 1 1 18 4024 1 1 16 ALA CB C 3.277 0.762 -10.169 1.00 . A A . 16 ALA CB 1 1 18 4025 1 1 16 ALA H H 3.394 -1.556 -8.055 1.00 . A A . 16 ALA H 1 1 18 4026 1 1 16 ALA HA H 1.452 -0.086 -9.492 1.00 . A A . 16 ALA HA 1 1 18 4027 1 1 16 ALA HB1 H 2.610 1.402 -10.729 1.00 . A A . 16 ALA HB1 1 1 18 4028 1 1 16 ALA HB2 H 4.039 0.372 -10.827 1.00 . A A . 16 ALA HB2 1 1 18 4029 1 1 16 ALA HB3 H 3.739 1.331 -9.377 1.00 . A A . 16 ALA HB3 1 1 18 4030 1 1 16 ALA N N 2.969 -0.692 -8.227 1.00 . A A . 16 ALA N 1 1 18 4031 1 1 16 ALA O O 2.899 -2.708 -9.957 1.00 . A A . 16 ALA O 1 1 18 4032 1 1 16 ALA OXT O 2.310 -1.480 -11.684 1.00 . A A . 16 ALA OXT 1 1 19 4033 1 1 1 GLY C C -7.961 -2.090 0.484 1.00 . A A . 1 GLY C 1 1 19 4034 1 1 1 GLY CA C -6.532 -2.524 0.224 1.00 . A A . 1 GLY CA 1 1 19 4035 1 1 1 GLY H1 H -6.234 -2.097 2.248 1.00 . A A . 1 GLY H1 1 1 19 4036 1 1 1 GLY H2 H -4.921 -1.692 1.262 1.00 . A A . 1 GLY H2 1 1 19 4037 1 1 1 GLY H3 H -5.220 -3.311 1.646 1.00 . A A . 1 GLY H3 1 1 19 4038 1 1 1 GLY HA2 H -6.120 -1.913 -0.566 1.00 . A A . 1 GLY HA2 1 1 19 4039 1 1 1 GLY HA3 H -6.534 -3.556 -0.098 1.00 . A A . 1 GLY HA3 1 1 19 4040 1 1 1 GLY N N -5.666 -2.398 1.429 1.00 . A A . 1 GLY N 1 1 19 4041 1 1 1 GLY O O -8.905 -2.801 0.138 1.00 . A A . 1 GLY O 1 1 19 4042 1 1 2 ALA C C -9.751 0.844 0.563 1.00 . A A . 2 ALA C 1 1 19 4043 1 1 2 ALA CA C -9.446 -0.393 1.400 1.00 . A A . 2 ALA CA 1 1 19 4044 1 1 2 ALA CB C -9.555 -0.068 2.883 1.00 . A A . 2 ALA CB 1 1 19 4045 1 1 2 ALA H H -7.330 -0.399 1.344 1.00 . A A . 2 ALA H 1 1 19 4046 1 1 2 ALA HA H -10.171 -1.159 1.169 1.00 . A A . 2 ALA HA 1 1 19 4047 1 1 2 ALA HB1 H -9.094 -0.858 3.459 1.00 . A A . 2 ALA HB1 1 1 19 4048 1 1 2 ALA HB2 H -10.597 0.015 3.157 1.00 . A A . 2 ALA HB2 1 1 19 4049 1 1 2 ALA HB3 H -9.053 0.865 3.085 1.00 . A A . 2 ALA HB3 1 1 19 4050 1 1 2 ALA N N -8.121 -0.921 1.095 1.00 . A A . 2 ALA N 1 1 19 4051 1 1 2 ALA O O -10.860 1.005 0.055 1.00 . A A . 2 ALA O 1 1 19 4052 1 1 3 ALA C C -9.057 2.627 -1.842 1.00 . A A . 3 ALA C 1 1 19 4053 1 1 3 ALA CA C -8.920 2.939 -0.356 1.00 . A A . 3 ALA CA 1 1 19 4054 1 1 3 ALA CB C -7.744 3.875 -0.116 1.00 . A A . 3 ALA CB 1 1 19 4055 1 1 3 ALA H H -7.895 1.533 0.851 1.00 . A A . 3 ALA H 1 1 19 4056 1 1 3 ALA HA H -9.819 3.433 -0.017 1.00 . A A . 3 ALA HA 1 1 19 4057 1 1 3 ALA HB1 H -7.970 4.530 0.712 1.00 . A A . 3 ALA HB1 1 1 19 4058 1 1 3 ALA HB2 H -7.567 4.464 -1.004 1.00 . A A . 3 ALA HB2 1 1 19 4059 1 1 3 ALA HB3 H -6.863 3.295 0.113 1.00 . A A . 3 ALA HB3 1 1 19 4060 1 1 3 ALA N N -8.758 1.717 0.422 1.00 . A A . 3 ALA N 1 1 19 4061 1 1 3 ALA O O -10.036 3.013 -2.480 1.00 . A A . 3 ALA O 1 1 19 4062 1 1 4 ILE C C -8.073 0.038 -3.967 1.00 . A A . 4 ILE C 1 1 19 4063 1 1 4 ILE CA C -8.077 1.554 -3.795 1.00 . A A . 4 ILE CA 1 1 19 4064 1 1 4 ILE CB C -6.852 2.141 -4.529 1.00 . A A . 4 ILE CB 1 1 19 4065 1 1 4 ILE CD1 C -8.079 4.311 -4.972 1.00 . A A . 4 ILE CD1 1 1 19 4066 1 1 4 ILE CG1 C -6.843 3.661 -4.398 1.00 . A A . 4 ILE CG1 1 1 19 4067 1 1 4 ILE CG2 C -6.859 1.736 -5.996 1.00 . A A . 4 ILE CG2 1 1 19 4068 1 1 4 ILE H H -7.316 1.641 -1.824 1.00 . A A . 4 ILE H 1 1 19 4069 1 1 4 ILE HA H -8.972 1.958 -4.245 1.00 . A A . 4 ILE HA 1 1 19 4070 1 1 4 ILE HB H -5.960 1.741 -4.073 1.00 . A A . 4 ILE HB 1 1 19 4071 1 1 4 ILE HD11 H -8.713 3.550 -5.402 1.00 . A A . 4 ILE HD11 1 1 19 4072 1 1 4 ILE HD12 H -7.793 5.015 -5.738 1.00 . A A . 4 ILE HD12 1 1 19 4073 1 1 4 ILE HD13 H -8.613 4.825 -4.188 1.00 . A A . 4 ILE HD13 1 1 19 4074 1 1 4 ILE HG12 H -6.781 3.928 -3.353 1.00 . A A . 4 ILE HG12 1 1 19 4075 1 1 4 ILE HG13 H -5.985 4.058 -4.920 1.00 . A A . 4 ILE HG13 1 1 19 4076 1 1 4 ILE HG21 H -7.878 1.605 -6.331 1.00 . A A . 4 ILE HG21 1 1 19 4077 1 1 4 ILE HG22 H -6.319 0.808 -6.117 1.00 . A A . 4 ILE HG22 1 1 19 4078 1 1 4 ILE HG23 H -6.383 2.507 -6.585 1.00 . A A . 4 ILE HG23 1 1 19 4079 1 1 4 ILE N N -8.069 1.923 -2.385 1.00 . A A . 4 ILE N 1 1 19 4080 1 1 4 ILE O O -8.188 -0.467 -5.083 1.00 . A A . 4 ILE O 1 1 19 4081 1 1 5 GLY C C -6.480 -2.640 -3.199 1.00 . A A . 5 GLY C 1 1 19 4082 1 1 5 GLY CA C -7.880 -2.129 -2.926 1.00 . A A . 5 GLY CA 1 1 19 4083 1 1 5 GLY H H -7.819 -0.233 -1.998 1.00 . A A . 5 GLY H 1 1 19 4084 1 1 5 GLY HA2 H -8.226 -2.532 -1.985 1.00 . A A . 5 GLY HA2 1 1 19 4085 1 1 5 GLY HA3 H -8.536 -2.463 -3.716 1.00 . A A . 5 GLY HA3 1 1 19 4086 1 1 5 GLY N N -7.920 -0.684 -2.861 1.00 . A A . 5 GLY N 1 1 19 4087 1 1 5 GLY O O -6.198 -3.825 -3.020 1.00 . A A . 5 GLY O 1 1 19 4088 1 1 6 LEU C C -3.243 -1.159 -3.228 1.00 . A A . 6 LEU C 1 1 19 4089 1 1 6 LEU CA C -4.214 -2.107 -3.927 1.00 . A A . 6 LEU CA 1 1 19 4090 1 1 6 LEU CB C -3.959 -2.091 -5.437 1.00 . A A . 6 LEU CB 1 1 19 4091 1 1 6 LEU CD1 C -6.274 -2.742 -6.176 1.00 . A A . 6 LEU CD1 1 1 19 4092 1 1 6 LEU CD2 C -4.327 -3.089 -7.708 1.00 . A A . 6 LEU CD2 1 1 19 4093 1 1 6 LEU CG C -4.793 -3.078 -6.259 1.00 . A A . 6 LEU CG 1 1 19 4094 1 1 6 LEU H H -5.877 -0.805 -3.753 1.00 . A A . 6 LEU H 1 1 19 4095 1 1 6 LEU HA H -4.052 -3.107 -3.554 1.00 . A A . 6 LEU HA 1 1 19 4096 1 1 6 LEU HB2 H -4.161 -1.093 -5.802 1.00 . A A . 6 LEU HB2 1 1 19 4097 1 1 6 LEU HB3 H -2.916 -2.311 -5.604 1.00 . A A . 6 LEU HB3 1 1 19 4098 1 1 6 LEU HD11 H -6.397 -1.738 -5.799 1.00 . A A . 6 LEU HD11 1 1 19 4099 1 1 6 LEU HD12 H -6.764 -3.439 -5.512 1.00 . A A . 6 LEU HD12 1 1 19 4100 1 1 6 LEU HD13 H -6.717 -2.812 -7.159 1.00 . A A . 6 LEU HD13 1 1 19 4101 1 1 6 LEU HD21 H -3.260 -2.924 -7.744 1.00 . A A . 6 LEU HD21 1 1 19 4102 1 1 6 LEU HD22 H -4.831 -2.303 -8.252 1.00 . A A . 6 LEU HD22 1 1 19 4103 1 1 6 LEU HD23 H -4.561 -4.044 -8.155 1.00 . A A . 6 LEU HD23 1 1 19 4104 1 1 6 LEU HG H -4.655 -4.073 -5.859 1.00 . A A . 6 LEU HG 1 1 19 4105 1 1 6 LEU N N -5.594 -1.740 -3.632 1.00 . A A . 6 LEU N 1 1 19 4106 1 1 6 LEU O O -2.115 -0.966 -3.683 1.00 . A A . 6 LEU O 1 1 19 4107 1 1 7 ALA C C -2.217 -0.332 -0.163 1.00 . A A . 7 ALA C 1 1 19 4108 1 1 7 ALA CA C -2.855 0.355 -1.363 1.00 . A A . 7 ALA CA 1 1 19 4109 1 1 7 ALA CB C -3.677 1.547 -0.908 1.00 . A A . 7 ALA CB 1 1 19 4110 1 1 7 ALA H H -4.594 -0.764 -1.807 1.00 . A A . 7 ALA H 1 1 19 4111 1 1 7 ALA HA H -2.075 0.715 -2.017 1.00 . A A . 7 ALA HA 1 1 19 4112 1 1 7 ALA HB1 H -4.006 1.388 0.108 1.00 . A A . 7 ALA HB1 1 1 19 4113 1 1 7 ALA HB2 H -4.537 1.657 -1.552 1.00 . A A . 7 ALA HB2 1 1 19 4114 1 1 7 ALA HB3 H -3.073 2.440 -0.956 1.00 . A A . 7 ALA HB3 1 1 19 4115 1 1 7 ALA N N -3.687 -0.572 -2.121 1.00 . A A . 7 ALA N 1 1 19 4116 1 1 7 ALA O O -2.111 0.245 0.918 1.00 . A A . 7 ALA O 1 1 19 4117 1 1 8 TRP C C 0.224 -2.821 0.236 1.00 . A A . 8 TRP C 1 1 19 4118 1 1 8 TRP CA C -1.148 -2.346 0.687 1.00 . A A . 8 TRP CA 1 1 19 4119 1 1 8 TRP CB C -1.995 -3.566 1.041 1.00 . A A . 8 TRP CB 1 1 19 4120 1 1 8 TRP CD1 C -3.164 -4.260 -1.132 1.00 . A A . 8 TRP CD1 1 1 19 4121 1 1 8 TRP CD2 C -1.495 -5.613 -0.507 1.00 . A A . 8 TRP CD2 1 1 19 4122 1 1 8 TRP CE2 C -2.047 -6.107 -1.703 1.00 . A A . 8 TRP CE2 1 1 19 4123 1 1 8 TRP CE3 C -0.424 -6.296 0.074 1.00 . A A . 8 TRP CE3 1 1 19 4124 1 1 8 TRP CG C -2.242 -4.447 -0.145 1.00 . A A . 8 TRP CG 1 1 19 4125 1 1 8 TRP CH2 C -0.505 -7.893 -1.745 1.00 . A A . 8 TRP CH2 1 1 19 4126 1 1 8 TRP CZ2 C -1.560 -7.248 -2.332 1.00 . A A . 8 TRP CZ2 1 1 19 4127 1 1 8 TRP CZ3 C 0.062 -7.426 -0.551 1.00 . A A . 8 TRP CZ3 1 1 19 4128 1 1 8 TRP H H -1.894 -1.972 -1.258 1.00 . A A . 8 TRP H 1 1 19 4129 1 1 8 TRP HA H -1.041 -1.718 1.559 1.00 . A A . 8 TRP HA 1 1 19 4130 1 1 8 TRP HB2 H -1.485 -4.150 1.795 1.00 . A A . 8 TRP HB2 1 1 19 4131 1 1 8 TRP HB3 H -2.953 -3.239 1.423 1.00 . A A . 8 TRP HB3 1 1 19 4132 1 1 8 TRP HD1 H -3.880 -3.451 -1.151 1.00 . A A . 8 TRP HD1 1 1 19 4133 1 1 8 TRP HE1 H -3.636 -5.364 -2.855 1.00 . A A . 8 TRP HE1 1 1 19 4134 1 1 8 TRP HE3 H 0.027 -5.950 0.993 1.00 . A A . 8 TRP HE3 1 1 19 4135 1 1 8 TRP HH2 H -0.094 -8.780 -2.200 1.00 . A A . 8 TRP HH2 1 1 19 4136 1 1 8 TRP HZ2 H -1.986 -7.621 -3.252 1.00 . A A . 8 TRP HZ2 1 1 19 4137 1 1 8 TRP HZ3 H 0.895 -7.962 -0.120 1.00 . A A . 8 TRP HZ3 1 1 19 4138 1 1 8 TRP N N -1.785 -1.570 -0.367 1.00 . A A . 8 TRP N 1 1 19 4139 1 1 8 TRP NE1 N -3.070 -5.268 -2.061 1.00 . A A . 8 TRP NE1 1 1 19 4140 1 1 8 TRP O O 1.166 -2.905 1.024 1.00 . A A . 8 TRP O 1 1 19 4141 1 1 9 ILE C C 2.703 -2.632 -1.498 1.00 . A A . 9 ILE C 1 1 19 4142 1 1 9 ILE CA C 1.548 -3.627 -1.641 1.00 . A A . 9 ILE CA 1 1 19 4143 1 1 9 ILE CB C 1.352 -3.985 -3.125 1.00 . A A . 9 ILE CB 1 1 19 4144 1 1 9 ILE CD1 C 2.562 -4.799 -5.199 1.00 . A A . 9 ILE CD1 1 1 19 4145 1 1 9 ILE CG1 C 2.654 -4.518 -3.717 1.00 . A A . 9 ILE CG1 1 1 19 4146 1 1 9 ILE CG2 C 0.855 -2.781 -3.910 1.00 . A A . 9 ILE CG2 1 1 19 4147 1 1 9 ILE H H -0.482 -3.058 -1.614 1.00 . A A . 9 ILE H 1 1 19 4148 1 1 9 ILE HA H 1.817 -4.535 -1.120 1.00 . A A . 9 ILE HA 1 1 19 4149 1 1 9 ILE HB H 0.598 -4.754 -3.187 1.00 . A A . 9 ILE HB 1 1 19 4150 1 1 9 ILE HD11 H 2.713 -5.852 -5.378 1.00 . A A . 9 ILE HD11 1 1 19 4151 1 1 9 ILE HD12 H 3.317 -4.231 -5.721 1.00 . A A . 9 ILE HD12 1 1 19 4152 1 1 9 ILE HD13 H 1.582 -4.510 -5.555 1.00 . A A . 9 ILE HD13 1 1 19 4153 1 1 9 ILE HG12 H 3.440 -3.795 -3.557 1.00 . A A . 9 ILE HG12 1 1 19 4154 1 1 9 ILE HG13 H 2.916 -5.441 -3.220 1.00 . A A . 9 ILE HG13 1 1 19 4155 1 1 9 ILE HG21 H 0.527 -3.102 -4.886 1.00 . A A . 9 ILE HG21 1 1 19 4156 1 1 9 ILE HG22 H 1.656 -2.064 -4.016 1.00 . A A . 9 ILE HG22 1 1 19 4157 1 1 9 ILE HG23 H 0.030 -2.324 -3.385 1.00 . A A . 9 ILE HG23 1 1 19 4158 1 1 9 ILE N N 0.313 -3.142 -1.049 1.00 . A A . 9 ILE N 1 1 19 4159 1 1 9 ILE O O 3.833 -3.044 -1.243 1.00 . A A . 9 ILE O 1 1 19 4160 1 1 10 PRO C C 4.416 -0.589 -0.309 1.00 . A A . 10 PRO C 1 1 19 4161 1 1 10 PRO CA C 3.521 -0.299 -1.507 1.00 . A A . 10 PRO CA 1 1 19 4162 1 1 10 PRO CB C 2.752 1.020 -1.307 1.00 . A A . 10 PRO CB 1 1 19 4163 1 1 10 PRO CD C 1.176 -0.661 -1.931 1.00 . A A . 10 PRO CD 1 1 19 4164 1 1 10 PRO CG C 1.315 0.629 -1.180 1.00 . A A . 10 PRO CG 1 1 19 4165 1 1 10 PRO HA H 4.125 -0.237 -2.400 1.00 . A A . 10 PRO HA 1 1 19 4166 1 1 10 PRO HB2 H 3.106 1.511 -0.411 1.00 . A A . 10 PRO HB2 1 1 19 4167 1 1 10 PRO HB3 H 2.910 1.661 -2.160 1.00 . A A . 10 PRO HB3 1 1 19 4168 1 1 10 PRO HD2 H 0.346 -1.231 -1.552 1.00 . A A . 10 PRO HD2 1 1 19 4169 1 1 10 PRO HD3 H 1.064 -0.474 -2.990 1.00 . A A . 10 PRO HD3 1 1 19 4170 1 1 10 PRO HG2 H 1.067 0.481 -0.139 1.00 . A A . 10 PRO HG2 1 1 19 4171 1 1 10 PRO HG3 H 0.684 1.389 -1.616 1.00 . A A . 10 PRO HG3 1 1 19 4172 1 1 10 PRO N N 2.462 -1.305 -1.644 1.00 . A A . 10 PRO N 1 1 19 4173 1 1 10 PRO O O 5.600 -0.253 -0.303 1.00 . A A . 10 PRO O 1 1 19 4174 1 1 11 TYR C C 5.875 -2.299 1.548 1.00 . A A . 11 TYR C 1 1 19 4175 1 1 11 TYR CA C 4.564 -1.608 1.904 1.00 . A A . 11 TYR CA 1 1 19 4176 1 1 11 TYR CB C 3.704 -2.541 2.757 1.00 . A A . 11 TYR CB 1 1 19 4177 1 1 11 TYR CD1 C 2.079 -0.601 2.961 1.00 . A A . 11 TYR CD1 1 1 19 4178 1 1 11 TYR CD2 C 1.530 -2.659 4.034 1.00 . A A . 11 TYR CD2 1 1 19 4179 1 1 11 TYR CE1 C 0.902 -0.042 3.423 1.00 . A A . 11 TYR CE1 1 1 19 4180 1 1 11 TYR CE2 C 0.351 -2.106 4.499 1.00 . A A . 11 TYR CE2 1 1 19 4181 1 1 11 TYR CG C 2.414 -1.919 3.259 1.00 . A A . 11 TYR CG 1 1 19 4182 1 1 11 TYR CZ C 0.042 -0.798 4.189 1.00 . A A . 11 TYR CZ 1 1 19 4183 1 1 11 TYR H H 2.891 -1.486 0.622 1.00 . A A . 11 TYR H 1 1 19 4184 1 1 11 TYR HA H 4.776 -0.709 2.461 1.00 . A A . 11 TYR HA 1 1 19 4185 1 1 11 TYR HB2 H 3.441 -3.406 2.163 1.00 . A A . 11 TYR HB2 1 1 19 4186 1 1 11 TYR HB3 H 4.277 -2.860 3.614 1.00 . A A . 11 TYR HB3 1 1 19 4187 1 1 11 TYR HD1 H 2.752 -0.010 2.359 1.00 . A A . 11 TYR HD1 1 1 19 4188 1 1 11 TYR HD2 H 1.773 -3.683 4.275 1.00 . A A . 11 TYR HD2 1 1 19 4189 1 1 11 TYR HE1 H 0.660 0.981 3.181 1.00 . A A . 11 TYR HE1 1 1 19 4190 1 1 11 TYR HE2 H -0.321 -2.699 5.101 1.00 . A A . 11 TYR HE2 1 1 19 4191 1 1 11 TYR HH H -0.945 0.604 5.061 1.00 . A A . 11 TYR HH 1 1 19 4192 1 1 11 TYR N N 3.836 -1.238 0.697 1.00 . A A . 11 TYR N 1 1 19 4193 1 1 11 TYR O O 6.933 -1.965 2.083 1.00 . A A . 11 TYR O 1 1 19 4194 1 1 11 TYR OH O -1.130 -0.245 4.652 1.00 . A A . 11 TYR OH 1 1 19 4195 1 1 12 PHE C C 7.843 -3.155 -0.714 1.00 . A A . 12 PHE C 1 1 19 4196 1 1 12 PHE CA C 6.971 -4.008 0.205 1.00 . A A . 12 PHE CA 1 1 19 4197 1 1 12 PHE CB C 6.559 -5.294 -0.511 1.00 . A A . 12 PHE CB 1 1 19 4198 1 1 12 PHE CD1 C 6.315 -6.743 1.521 1.00 . A A . 12 PHE CD1 1 1 19 4199 1 1 12 PHE CD2 C 4.484 -6.613 -0.001 1.00 . A A . 12 PHE CD2 1 1 19 4200 1 1 12 PHE CE1 C 5.593 -7.610 2.320 1.00 . A A . 12 PHE CE1 1 1 19 4201 1 1 12 PHE CE2 C 3.758 -7.478 0.793 1.00 . A A . 12 PHE CE2 1 1 19 4202 1 1 12 PHE CG C 5.770 -6.235 0.353 1.00 . A A . 12 PHE CG 1 1 19 4203 1 1 12 PHE CZ C 4.312 -7.979 1.954 1.00 . A A . 12 PHE CZ 1 1 19 4204 1 1 12 PHE H H 4.917 -3.483 0.248 1.00 . A A . 12 PHE H 1 1 19 4205 1 1 12 PHE HA H 7.542 -4.264 1.084 1.00 . A A . 12 PHE HA 1 1 19 4206 1 1 12 PHE HB2 H 5.947 -5.041 -1.368 1.00 . A A . 12 PHE HB2 1 1 19 4207 1 1 12 PHE HB3 H 7.447 -5.813 -0.846 1.00 . A A . 12 PHE HB3 1 1 19 4208 1 1 12 PHE HD1 H 7.316 -6.456 1.808 1.00 . A A . 12 PHE HD1 1 1 19 4209 1 1 12 PHE HD2 H 4.049 -6.222 -0.909 1.00 . A A . 12 PHE HD2 1 1 19 4210 1 1 12 PHE HE1 H 6.030 -7.999 3.227 1.00 . A A . 12 PHE HE1 1 1 19 4211 1 1 12 PHE HE2 H 2.757 -7.766 0.505 1.00 . A A . 12 PHE HE2 1 1 19 4212 1 1 12 PHE HZ H 3.747 -8.655 2.576 1.00 . A A . 12 PHE HZ 1 1 19 4213 1 1 12 PHE N N 5.793 -3.265 0.639 1.00 . A A . 12 PHE N 1 1 19 4214 1 1 12 PHE O O 9.061 -3.324 -0.761 1.00 . A A . 12 PHE O 1 1 19 4215 1 1 13 GLY C C 7.830 0.088 -1.974 1.00 . A A . 13 GLY C 1 1 19 4216 1 1 13 GLY CA C 7.943 -1.378 -2.350 1.00 . A A . 13 GLY CA 1 1 19 4217 1 1 13 GLY H H 6.237 -2.152 -1.365 1.00 . A A . 13 GLY H 1 1 19 4218 1 1 13 GLY HA2 H 8.985 -1.662 -2.337 1.00 . A A . 13 GLY HA2 1 1 19 4219 1 1 13 GLY HA3 H 7.556 -1.511 -3.349 1.00 . A A . 13 GLY HA3 1 1 19 4220 1 1 13 GLY N N 7.210 -2.241 -1.443 1.00 . A A . 13 GLY N 1 1 19 4221 1 1 13 GLY O O 7.255 0.880 -2.721 1.00 . A A . 13 GLY O 1 1 19 4222 1 1 14 PRO C C 9.241 2.786 -1.153 1.00 . A A . 14 PRO C 1 1 19 4223 1 1 14 PRO CA C 8.324 1.874 -0.346 1.00 . A A . 14 PRO CA 1 1 19 4224 1 1 14 PRO CB C 8.804 1.782 1.103 1.00 . A A . 14 PRO CB 1 1 19 4225 1 1 14 PRO CD C 9.078 -0.393 0.145 1.00 . A A . 14 PRO CD 1 1 19 4226 1 1 14 PRO CG C 9.672 0.572 1.135 1.00 . A A . 14 PRO CG 1 1 19 4227 1 1 14 PRO HA H 7.318 2.263 -0.371 1.00 . A A . 14 PRO HA 1 1 19 4228 1 1 14 PRO HB2 H 9.358 2.675 1.359 1.00 . A A . 14 PRO HB2 1 1 19 4229 1 1 14 PRO HB3 H 7.952 1.675 1.761 1.00 . A A . 14 PRO HB3 1 1 19 4230 1 1 14 PRO HD2 H 9.859 -0.953 -0.349 1.00 . A A . 14 PRO HD2 1 1 19 4231 1 1 14 PRO HD3 H 8.387 -1.061 0.636 1.00 . A A . 14 PRO HD3 1 1 19 4232 1 1 14 PRO HG2 H 10.679 0.835 0.847 1.00 . A A . 14 PRO HG2 1 1 19 4233 1 1 14 PRO HG3 H 9.665 0.141 2.127 1.00 . A A . 14 PRO HG3 1 1 19 4234 1 1 14 PRO N N 8.374 0.484 -0.809 1.00 . A A . 14 PRO N 1 1 19 4235 1 1 14 PRO O O 10.403 2.459 -1.396 1.00 . A A . 14 PRO O 1 1 19 4236 1 1 15 ALA C C 10.255 5.845 -1.439 1.00 . A A . 15 ALA C 1 1 19 4237 1 1 15 ALA CA C 9.483 4.893 -2.346 1.00 . A A . 15 ALA CA 1 1 19 4238 1 1 15 ALA CB C 8.567 5.675 -3.276 1.00 . A A . 15 ALA CB 1 1 19 4239 1 1 15 ALA H H 7.781 4.140 -1.341 1.00 . A A . 15 ALA H 1 1 19 4240 1 1 15 ALA HA H 10.186 4.341 -2.953 1.00 . A A . 15 ALA HA 1 1 19 4241 1 1 15 ALA HB1 H 8.953 6.676 -3.404 1.00 . A A . 15 ALA HB1 1 1 19 4242 1 1 15 ALA HB2 H 7.576 5.724 -2.849 1.00 . A A . 15 ALA HB2 1 1 19 4243 1 1 15 ALA HB3 H 8.522 5.182 -4.236 1.00 . A A . 15 ALA HB3 1 1 19 4244 1 1 15 ALA N N 8.712 3.934 -1.567 1.00 . A A . 15 ALA N 1 1 19 4245 1 1 15 ALA O O 9.668 6.542 -0.613 1.00 . A A . 15 ALA O 1 1 19 4246 1 1 16 ALA C C 12.302 6.402 0.689 1.00 . A A . 16 ALA C 1 1 19 4247 1 1 16 ALA CA C 12.426 6.735 -0.794 1.00 . A A . 16 ALA CA 1 1 19 4248 1 1 16 ALA CB C 12.076 8.194 -1.041 1.00 . A A . 16 ALA CB 1 1 19 4249 1 1 16 ALA H H 11.984 5.288 -2.275 1.00 . A A . 16 ALA H 1 1 19 4250 1 1 16 ALA HA H 13.449 6.577 -1.103 1.00 . A A . 16 ALA HA 1 1 19 4251 1 1 16 ALA HB1 H 11.006 8.322 -0.983 1.00 . A A . 16 ALA HB1 1 1 19 4252 1 1 16 ALA HB2 H 12.421 8.485 -2.022 1.00 . A A . 16 ALA HB2 1 1 19 4253 1 1 16 ALA HB3 H 12.555 8.810 -0.295 1.00 . A A . 16 ALA HB3 1 1 19 4254 1 1 16 ALA N N 11.574 5.867 -1.599 1.00 . A A . 16 ALA N 1 1 19 4255 1 1 16 ALA O O 11.448 7.017 1.362 1.00 . A A . 16 ALA O 1 1 19 4256 1 1 16 ALA OXT O 13.059 5.530 1.165 1.00 . A A . 16 ALA OXT 1 1 20 4257 1 1 1 GLY C C -8.284 -0.635 1.641 1.00 . A A . 1 GLY C 1 1 20 4258 1 1 1 GLY CA C -6.850 -0.625 2.136 1.00 . A A . 1 GLY CA 1 1 20 4259 1 1 1 GLY H1 H -6.443 1.396 2.477 1.00 . A A . 1 GLY H1 1 1 20 4260 1 1 1 GLY H2 H -6.373 0.949 0.847 1.00 . A A . 1 GLY H2 1 1 20 4261 1 1 1 GLY H3 H -5.118 0.519 1.897 1.00 . A A . 1 GLY H3 1 1 20 4262 1 1 1 GLY HA2 H -6.315 -1.442 1.676 1.00 . A A . 1 GLY HA2 1 1 20 4263 1 1 1 GLY HA3 H -6.851 -0.764 3.207 1.00 . A A . 1 GLY HA3 1 1 20 4264 1 1 1 GLY N N -6.147 0.649 1.817 1.00 . A A . 1 GLY N 1 1 20 4265 1 1 1 GLY O O -8.830 -1.692 1.329 1.00 . A A . 1 GLY O 1 1 20 4266 1 1 2 ALA C C -10.440 1.884 0.207 1.00 . A A . 2 ALA C 1 1 20 4267 1 1 2 ALA CA C -10.269 0.667 1.110 1.00 . A A . 2 ALA CA 1 1 20 4268 1 1 2 ALA CB C -11.216 0.752 2.298 1.00 . A A . 2 ALA CB 1 1 20 4269 1 1 2 ALA H H -8.402 1.351 1.834 1.00 . A A . 2 ALA H 1 1 20 4270 1 1 2 ALA HA H -10.514 -0.223 0.549 1.00 . A A . 2 ALA HA 1 1 20 4271 1 1 2 ALA HB1 H -12.135 1.231 1.993 1.00 . A A . 2 ALA HB1 1 1 20 4272 1 1 2 ALA HB2 H -10.754 1.330 3.086 1.00 . A A . 2 ALA HB2 1 1 20 4273 1 1 2 ALA HB3 H -11.431 -0.242 2.659 1.00 . A A . 2 ALA HB3 1 1 20 4274 1 1 2 ALA N N -8.891 0.545 1.570 1.00 . A A . 2 ALA N 1 1 20 4275 1 1 2 ALA O O -11.506 2.497 0.171 1.00 . A A . 2 ALA O 1 1 20 4276 1 1 3 ALA C C -9.218 2.932 -2.872 1.00 . A A . 3 ALA C 1 1 20 4277 1 1 3 ALA CA C -9.414 3.370 -1.426 1.00 . A A . 3 ALA CA 1 1 20 4278 1 1 3 ALA CB C -8.351 4.385 -1.030 1.00 . A A . 3 ALA CB 1 1 20 4279 1 1 3 ALA H H -8.559 1.697 -0.448 1.00 . A A . 3 ALA H 1 1 20 4280 1 1 3 ALA HA H -10.382 3.843 -1.330 1.00 . A A . 3 ALA HA 1 1 20 4281 1 1 3 ALA HB1 H -7.533 3.877 -0.542 1.00 . A A . 3 ALA HB1 1 1 20 4282 1 1 3 ALA HB2 H -8.780 5.110 -0.355 1.00 . A A . 3 ALA HB2 1 1 20 4283 1 1 3 ALA HB3 H -7.987 4.887 -1.914 1.00 . A A . 3 ALA HB3 1 1 20 4284 1 1 3 ALA N N -9.381 2.227 -0.521 1.00 . A A . 3 ALA N 1 1 20 4285 1 1 3 ALA O O -10.009 3.279 -3.748 1.00 . A A . 3 ALA O 1 1 20 4286 1 1 4 ILE C C -7.923 0.157 -4.519 1.00 . A A . 4 ILE C 1 1 20 4287 1 1 4 ILE CA C -7.857 1.681 -4.455 1.00 . A A . 4 ILE CA 1 1 20 4288 1 1 4 ILE CB C -6.457 2.137 -4.911 1.00 . A A . 4 ILE CB 1 1 20 4289 1 1 4 ILE CD1 C -7.383 4.321 -5.800 1.00 . A A . 4 ILE CD1 1 1 20 4290 1 1 4 ILE CG1 C -6.369 3.660 -4.895 1.00 . A A . 4 ILE CG1 1 1 20 4291 1 1 4 ILE CG2 C -6.143 1.601 -6.303 1.00 . A A . 4 ILE CG2 1 1 20 4292 1 1 4 ILE H H -7.563 1.922 -2.376 1.00 . A A . 4 ILE H 1 1 20 4293 1 1 4 ILE HA H -8.588 2.092 -5.135 1.00 . A A . 4 ILE HA 1 1 20 4294 1 1 4 ILE HB H -5.729 1.734 -4.224 1.00 . A A . 4 ILE HB 1 1 20 4295 1 1 4 ILE HD11 H -6.873 4.946 -6.516 1.00 . A A . 4 ILE HD11 1 1 20 4296 1 1 4 ILE HD12 H -8.054 4.923 -5.207 1.00 . A A . 4 ILE HD12 1 1 20 4297 1 1 4 ILE HD13 H -7.944 3.559 -6.321 1.00 . A A . 4 ILE HD13 1 1 20 4298 1 1 4 ILE HG12 H -6.539 4.015 -3.890 1.00 . A A . 4 ILE HG12 1 1 20 4299 1 1 4 ILE HG13 H -5.384 3.963 -5.220 1.00 . A A . 4 ILE HG13 1 1 20 4300 1 1 4 ILE HG21 H -5.596 0.674 -6.216 1.00 . A A . 4 ILE HG21 1 1 20 4301 1 1 4 ILE HG22 H -5.545 2.322 -6.839 1.00 . A A . 4 ILE HG22 1 1 20 4302 1 1 4 ILE HG23 H -7.065 1.428 -6.838 1.00 . A A . 4 ILE HG23 1 1 20 4303 1 1 4 ILE N N -8.159 2.166 -3.115 1.00 . A A . 4 ILE N 1 1 20 4304 1 1 4 ILE O O -7.892 -0.429 -5.601 1.00 . A A . 4 ILE O 1 1 20 4305 1 1 5 GLY C C -6.668 -2.544 -3.532 1.00 . A A . 5 GLY C 1 1 20 4306 1 1 5 GLY CA C -8.037 -1.928 -3.313 1.00 . A A . 5 GLY CA 1 1 20 4307 1 1 5 GLY H H -8.000 0.029 -2.520 1.00 . A A . 5 GLY H 1 1 20 4308 1 1 5 GLY HA2 H -8.413 -2.240 -2.350 1.00 . A A . 5 GLY HA2 1 1 20 4309 1 1 5 GLY HA3 H -8.707 -2.281 -4.082 1.00 . A A . 5 GLY HA3 1 1 20 4310 1 1 5 GLY N N -7.993 -0.483 -3.355 1.00 . A A . 5 GLY N 1 1 20 4311 1 1 5 GLY O O -6.523 -3.766 -3.529 1.00 . A A . 5 GLY O 1 1 20 4312 1 1 6 LEU C C -3.289 -1.261 -3.234 1.00 . A A . 6 LEU C 1 1 20 4313 1 1 6 LEU CA C -4.295 -2.165 -3.945 1.00 . A A . 6 LEU CA 1 1 20 4314 1 1 6 LEU CB C -3.998 -2.219 -5.448 1.00 . A A . 6 LEU CB 1 1 20 4315 1 1 6 LEU CD1 C -2.478 -4.208 -5.293 1.00 . A A . 6 LEU CD1 1 1 20 4316 1 1 6 LEU CD2 C -2.454 -2.779 -7.341 1.00 . A A . 6 LEU CD2 1 1 20 4317 1 1 6 LEU CG C -2.631 -2.795 -5.830 1.00 . A A . 6 LEU CG 1 1 20 4318 1 1 6 LEU H H -5.833 -0.725 -3.715 1.00 . A A . 6 LEU H 1 1 20 4319 1 1 6 LEU HA H -4.219 -3.161 -3.535 1.00 . A A . 6 LEU HA 1 1 20 4320 1 1 6 LEU HB2 H -4.761 -2.821 -5.921 1.00 . A A . 6 LEU HB2 1 1 20 4321 1 1 6 LEU HB3 H -4.062 -1.216 -5.840 1.00 . A A . 6 LEU HB3 1 1 20 4322 1 1 6 LEU HD11 H -1.753 -4.744 -5.888 1.00 . A A . 6 LEU HD11 1 1 20 4323 1 1 6 LEU HD12 H -3.429 -4.717 -5.341 1.00 . A A . 6 LEU HD12 1 1 20 4324 1 1 6 LEU HD13 H -2.143 -4.169 -4.266 1.00 . A A . 6 LEU HD13 1 1 20 4325 1 1 6 LEU HD21 H -2.719 -3.744 -7.745 1.00 . A A . 6 LEU HD21 1 1 20 4326 1 1 6 LEU HD22 H -1.424 -2.558 -7.580 1.00 . A A . 6 LEU HD22 1 1 20 4327 1 1 6 LEU HD23 H -3.092 -2.021 -7.771 1.00 . A A . 6 LEU HD23 1 1 20 4328 1 1 6 LEU HG H -1.852 -2.186 -5.397 1.00 . A A . 6 LEU HG 1 1 20 4329 1 1 6 LEU N N -5.657 -1.693 -3.723 1.00 . A A . 6 LEU N 1 1 20 4330 1 1 6 LEU O O -2.132 -1.161 -3.638 1.00 . A A . 6 LEU O 1 1 20 4331 1 1 7 ALA C C -2.289 -0.425 -0.192 1.00 . A A . 7 ALA C 1 1 20 4332 1 1 7 ALA CA C -2.879 0.288 -1.403 1.00 . A A . 7 ALA CA 1 1 20 4333 1 1 7 ALA CB C -3.652 1.519 -0.966 1.00 . A A . 7 ALA CB 1 1 20 4334 1 1 7 ALA H H -4.672 -0.723 -1.891 1.00 . A A . 7 ALA H 1 1 20 4335 1 1 7 ALA HA H -2.072 0.608 -2.048 1.00 . A A . 7 ALA HA 1 1 20 4336 1 1 7 ALA HB1 H -4.683 1.253 -0.792 1.00 . A A . 7 ALA HB1 1 1 20 4337 1 1 7 ALA HB2 H -3.598 2.270 -1.740 1.00 . A A . 7 ALA HB2 1 1 20 4338 1 1 7 ALA HB3 H -3.220 1.908 -0.055 1.00 . A A . 7 ALA HB3 1 1 20 4339 1 1 7 ALA N N -3.740 -0.605 -2.169 1.00 . A A . 7 ALA N 1 1 20 4340 1 1 7 ALA O O -2.305 0.099 0.922 1.00 . A A . 7 ALA O 1 1 20 4341 1 1 8 TRP C C 0.245 -2.838 0.251 1.00 . A A . 8 TRP C 1 1 20 4342 1 1 8 TRP CA C -1.162 -2.415 0.641 1.00 . A A . 8 TRP CA 1 1 20 4343 1 1 8 TRP CB C -1.996 -3.667 0.906 1.00 . A A . 8 TRP CB 1 1 20 4344 1 1 8 TRP CD1 C -3.015 -4.281 -1.363 1.00 . A A . 8 TRP CD1 1 1 20 4345 1 1 8 TRP CD2 C -1.404 -5.668 -0.667 1.00 . A A . 8 TRP CD2 1 1 20 4346 1 1 8 TRP CE2 C -1.873 -6.119 -1.914 1.00 . A A . 8 TRP CE2 1 1 20 4347 1 1 8 TRP CE3 C -0.379 -6.379 -0.035 1.00 . A A . 8 TRP CE3 1 1 20 4348 1 1 8 TRP CG C -2.163 -4.508 -0.320 1.00 . A A . 8 TRP CG 1 1 20 4349 1 1 8 TRP CH2 C -0.346 -7.918 -1.907 1.00 . A A . 8 TRP CH2 1 1 20 4350 1 1 8 TRP CZ2 C -1.351 -7.244 -2.544 1.00 . A A . 8 TRP CZ2 1 1 20 4351 1 1 8 TRP CZ3 C 0.140 -7.496 -0.663 1.00 . A A . 8 TRP CZ3 1 1 20 4352 1 1 8 TRP H H -1.781 -1.980 -1.336 1.00 . A A . 8 TRP H 1 1 20 4353 1 1 8 TRP HA H -1.122 -1.814 1.537 1.00 . A A . 8 TRP HA 1 1 20 4354 1 1 8 TRP HB2 H -1.507 -4.266 1.664 1.00 . A A . 8 TRP HB2 1 1 20 4355 1 1 8 TRP HB3 H -2.979 -3.375 1.253 1.00 . A A . 8 TRP HB3 1 1 20 4356 1 1 8 TRP HD1 H -3.722 -3.466 -1.404 1.00 . A A . 8 TRP HD1 1 1 20 4357 1 1 8 TRP HE1 H -3.373 -5.325 -3.150 1.00 . A A . 8 TRP HE1 1 1 20 4358 1 1 8 TRP HE3 H 0.008 -6.068 0.923 1.00 . A A . 8 TRP HE3 1 1 20 4359 1 1 8 TRP HH2 H 0.090 -8.794 -2.360 1.00 . A A . 8 TRP HH2 1 1 20 4360 1 1 8 TRP HZ2 H -1.715 -7.584 -3.504 1.00 . A A . 8 TRP HZ2 1 1 20 4361 1 1 8 TRP HZ3 H 0.938 -8.053 -0.192 1.00 . A A . 8 TRP HZ3 1 1 20 4362 1 1 8 TRP N N -1.766 -1.620 -0.422 1.00 . A A . 8 TRP N 1 1 20 4363 1 1 8 TRP NE1 N -2.863 -5.259 -2.315 1.00 . A A . 8 TRP NE1 1 1 20 4364 1 1 8 TRP O O 1.140 -2.935 1.090 1.00 . A A . 8 TRP O 1 1 20 4365 1 1 9 ILE C C 2.801 -2.490 -1.406 1.00 . A A . 9 ILE C 1 1 20 4366 1 1 9 ILE CA C 1.695 -3.538 -1.574 1.00 . A A . 9 ILE CA 1 1 20 4367 1 1 9 ILE CB C 1.577 -3.913 -3.060 1.00 . A A . 9 ILE CB 1 1 20 4368 1 1 9 ILE CD1 C 2.917 -4.685 -5.071 1.00 . A A . 9 ILE CD1 1 1 20 4369 1 1 9 ILE CG1 C 2.921 -4.414 -3.584 1.00 . A A . 9 ILE CG1 1 1 20 4370 1 1 9 ILE CG2 C 1.081 -2.729 -3.876 1.00 . A A . 9 ILE CG2 1 1 20 4371 1 1 9 ILE H H -0.347 -3.016 -1.645 1.00 . A A . 9 ILE H 1 1 20 4372 1 1 9 ILE HA H 1.985 -4.427 -1.035 1.00 . A A . 9 ILE HA 1 1 20 4373 1 1 9 ILE HB H 0.849 -4.707 -3.149 1.00 . A A . 9 ILE HB 1 1 20 4374 1 1 9 ILE HD11 H 3.119 -5.731 -5.248 1.00 . A A . 9 ILE HD11 1 1 20 4375 1 1 9 ILE HD12 H 3.676 -4.085 -5.547 1.00 . A A . 9 ILE HD12 1 1 20 4376 1 1 9 ILE HD13 H 1.947 -4.431 -5.476 1.00 . A A . 9 ILE HD13 1 1 20 4377 1 1 9 ILE HG12 H 3.680 -3.674 -3.374 1.00 . A A . 9 ILE HG12 1 1 20 4378 1 1 9 ILE HG13 H 3.174 -5.335 -3.079 1.00 . A A . 9 ILE HG13 1 1 20 4379 1 1 9 ILE HG21 H 1.864 -1.989 -3.949 1.00 . A A . 9 ILE HG21 1 1 20 4380 1 1 9 ILE HG22 H 0.218 -2.296 -3.393 1.00 . A A . 9 ILE HG22 1 1 20 4381 1 1 9 ILE HG23 H 0.807 -3.066 -4.865 1.00 . A A . 9 ILE HG23 1 1 20 4382 1 1 9 ILE N N 0.416 -3.103 -1.038 1.00 . A A . 9 ILE N 1 1 20 4383 1 1 9 ILE O O 3.947 -2.856 -1.144 1.00 . A A . 9 ILE O 1 1 20 4384 1 1 10 PRO C C 4.458 -0.394 -0.228 1.00 . A A . 10 PRO C 1 1 20 4385 1 1 10 PRO CA C 3.513 -0.118 -1.394 1.00 . A A . 10 PRO CA 1 1 20 4386 1 1 10 PRO CB C 2.681 1.150 -1.133 1.00 . A A . 10 PRO CB 1 1 20 4387 1 1 10 PRO CD C 1.197 -0.586 -1.853 1.00 . A A . 10 PRO CD 1 1 20 4388 1 1 10 PRO CG C 1.256 0.696 -1.077 1.00 . A A . 10 PRO CG 1 1 20 4389 1 1 10 PRO HA H 4.090 0.007 -2.299 1.00 . A A . 10 PRO HA 1 1 20 4390 1 1 10 PRO HB2 H 2.988 1.597 -0.199 1.00 . A A . 10 PRO HB2 1 1 20 4391 1 1 10 PRO HB3 H 2.836 1.853 -1.938 1.00 . A A . 10 PRO HB3 1 1 20 4392 1 1 10 PRO HD2 H 0.388 -1.201 -1.501 1.00 . A A . 10 PRO HD2 1 1 20 4393 1 1 10 PRO HD3 H 1.099 -0.388 -2.911 1.00 . A A . 10 PRO HD3 1 1 20 4394 1 1 10 PRO HG2 H 0.969 0.520 -0.051 1.00 . A A . 10 PRO HG2 1 1 20 4395 1 1 10 PRO HG3 H 0.613 1.438 -1.528 1.00 . A A . 10 PRO HG3 1 1 20 4396 1 1 10 PRO N N 2.504 -1.174 -1.546 1.00 . A A . 10 PRO N 1 1 20 4397 1 1 10 PRO O O 5.616 0.023 -0.237 1.00 . A A . 10 PRO O 1 1 20 4398 1 1 11 TYR C C 5.955 -2.316 1.510 1.00 . A A . 11 TYR C 1 1 20 4399 1 1 11 TYR CA C 4.744 -1.489 1.924 1.00 . A A . 11 TYR CA 1 1 20 4400 1 1 11 TYR CB C 3.889 -2.287 2.908 1.00 . A A . 11 TYR CB 1 1 20 4401 1 1 11 TYR CD1 C 1.809 -0.835 2.920 1.00 . A A . 11 TYR CD1 1 1 20 4402 1 1 11 TYR CD2 C 2.858 -1.330 5.003 1.00 . A A . 11 TYR CD2 1 1 20 4403 1 1 11 TYR CE1 C 0.849 -0.089 3.578 1.00 . A A . 11 TYR CE1 1 1 20 4404 1 1 11 TYR CE2 C 1.900 -0.587 5.666 1.00 . A A . 11 TYR CE2 1 1 20 4405 1 1 11 TYR CG C 2.830 -1.469 3.619 1.00 . A A . 11 TYR CG 1 1 20 4406 1 1 11 TYR CZ C 0.900 0.031 4.950 1.00 . A A . 11 TYR CZ 1 1 20 4407 1 1 11 TYR H H 3.034 -1.439 0.696 1.00 . A A . 11 TYR H 1 1 20 4408 1 1 11 TYR HA H 5.082 -0.582 2.402 1.00 . A A . 11 TYR HA 1 1 20 4409 1 1 11 TYR HB2 H 3.385 -3.075 2.363 1.00 . A A . 11 TYR HB2 1 1 20 4410 1 1 11 TYR HB3 H 4.531 -2.728 3.655 1.00 . A A . 11 TYR HB3 1 1 20 4411 1 1 11 TYR HD1 H 1.768 -0.929 1.848 1.00 . A A . 11 TYR HD1 1 1 20 4412 1 1 11 TYR HD2 H 3.644 -1.816 5.563 1.00 . A A . 11 TYR HD2 1 1 20 4413 1 1 11 TYR HE1 H 0.065 0.396 3.016 1.00 . A A . 11 TYR HE1 1 1 20 4414 1 1 11 TYR HE2 H 1.941 -0.492 6.742 1.00 . A A . 11 TYR HE2 1 1 20 4415 1 1 11 TYR HH H 0.360 1.272 6.315 1.00 . A A . 11 TYR HH 1 1 20 4416 1 1 11 TYR N N 3.955 -1.123 0.760 1.00 . A A . 11 TYR N 1 1 20 4417 1 1 11 TYR O O 7.077 -2.064 1.950 1.00 . A A . 11 TYR O 1 1 20 4418 1 1 11 TYR OH O -0.055 0.774 5.607 1.00 . A A . 11 TYR OH 1 1 20 4419 1 1 12 PHE C C 7.620 -3.492 -0.895 1.00 . A A . 12 PHE C 1 1 20 4420 1 1 12 PHE CA C 6.782 -4.182 0.178 1.00 . A A . 12 PHE CA 1 1 20 4421 1 1 12 PHE CB C 6.193 -5.479 -0.376 1.00 . A A . 12 PHE CB 1 1 20 4422 1 1 12 PHE CD1 C 6.018 -6.723 1.798 1.00 . A A . 12 PHE CD1 1 1 20 4423 1 1 12 PHE CD2 C 4.069 -6.544 0.434 1.00 . A A . 12 PHE CD2 1 1 20 4424 1 1 12 PHE CE1 C 5.302 -7.445 2.732 1.00 . A A . 12 PHE CE1 1 1 20 4425 1 1 12 PHE CE2 C 3.348 -7.267 1.365 1.00 . A A . 12 PHE CE2 1 1 20 4426 1 1 12 PHE CG C 5.411 -6.266 0.639 1.00 . A A . 12 PHE CG 1 1 20 4427 1 1 12 PHE CZ C 3.964 -7.717 2.515 1.00 . A A . 12 PHE CZ 1 1 20 4428 1 1 12 PHE H H 4.796 -3.458 0.345 1.00 . A A . 12 PHE H 1 1 20 4429 1 1 12 PHE HA H 7.418 -4.417 1.018 1.00 . A A . 12 PHE HA 1 1 20 4430 1 1 12 PHE HB2 H 5.529 -5.245 -1.197 1.00 . A A . 12 PHE HB2 1 1 20 4431 1 1 12 PHE HB3 H 6.998 -6.107 -0.735 1.00 . A A . 12 PHE HB3 1 1 20 4432 1 1 12 PHE HD1 H 7.063 -6.510 1.968 1.00 . A A . 12 PHE HD1 1 1 20 4433 1 1 12 PHE HD2 H 3.586 -6.193 -0.466 1.00 . A A . 12 PHE HD2 1 1 20 4434 1 1 12 PHE HE1 H 5.786 -7.797 3.631 1.00 . A A . 12 PHE HE1 1 1 20 4435 1 1 12 PHE HE2 H 2.302 -7.478 1.192 1.00 . A A . 12 PHE HE2 1 1 20 4436 1 1 12 PHE HZ H 3.403 -8.282 3.246 1.00 . A A . 12 PHE HZ 1 1 20 4437 1 1 12 PHE N N 5.716 -3.309 0.658 1.00 . A A . 12 PHE N 1 1 20 4438 1 1 12 PHE O O 8.777 -3.849 -1.113 1.00 . A A . 12 PHE O 1 1 20 4439 1 1 13 GLY C C 9.015 -1.133 -2.101 1.00 . A A . 13 GLY C 1 1 20 4440 1 1 13 GLY CA C 7.741 -1.788 -2.608 1.00 . A A . 13 GLY CA 1 1 20 4441 1 1 13 GLY H H 6.105 -2.264 -1.351 1.00 . A A . 13 GLY H 1 1 20 4442 1 1 13 GLY HA2 H 7.997 -2.484 -3.395 1.00 . A A . 13 GLY HA2 1 1 20 4443 1 1 13 GLY HA3 H 7.093 -1.028 -3.014 1.00 . A A . 13 GLY HA3 1 1 20 4444 1 1 13 GLY N N 7.029 -2.505 -1.565 1.00 . A A . 13 GLY N 1 1 20 4445 1 1 13 GLY O O 10.000 -1.821 -1.828 1.00 . A A . 13 GLY O 1 1 20 4446 1 1 14 PRO C C 10.542 0.602 -0.030 1.00 . A A . 14 PRO C 1 1 20 4447 1 1 14 PRO CA C 10.211 0.934 -1.480 1.00 . A A . 14 PRO CA 1 1 20 4448 1 1 14 PRO CB C 9.808 2.406 -1.614 1.00 . A A . 14 PRO CB 1 1 20 4449 1 1 14 PRO CD C 7.909 1.113 -2.260 1.00 . A A . 14 PRO CD 1 1 20 4450 1 1 14 PRO CG C 8.319 2.396 -1.597 1.00 . A A . 14 PRO CG 1 1 20 4451 1 1 14 PRO HA H 11.076 0.736 -2.099 1.00 . A A . 14 PRO HA 1 1 20 4452 1 1 14 PRO HB2 H 10.211 2.968 -0.782 1.00 . A A . 14 PRO HB2 1 1 20 4453 1 1 14 PRO HB3 H 10.190 2.803 -2.545 1.00 . A A . 14 PRO HB3 1 1 20 4454 1 1 14 PRO HD2 H 6.989 0.742 -1.831 1.00 . A A . 14 PRO HD2 1 1 20 4455 1 1 14 PRO HD3 H 7.801 1.253 -3.325 1.00 . A A . 14 PRO HD3 1 1 20 4456 1 1 14 PRO HG2 H 7.963 2.424 -0.578 1.00 . A A . 14 PRO HG2 1 1 20 4457 1 1 14 PRO HG3 H 7.940 3.242 -2.153 1.00 . A A . 14 PRO HG3 1 1 20 4458 1 1 14 PRO N N 9.032 0.205 -1.962 1.00 . A A . 14 PRO N 1 1 20 4459 1 1 14 PRO O O 9.859 -0.200 0.608 1.00 . A A . 14 PRO O 1 1 20 4460 1 1 15 ALA C C 11.309 1.948 2.822 1.00 . A A . 15 ALA C 1 1 20 4461 1 1 15 ALA CA C 12.019 0.997 1.865 1.00 . A A . 15 ALA CA 1 1 20 4462 1 1 15 ALA CB C 13.528 1.152 1.986 1.00 . A A . 15 ALA CB 1 1 20 4463 1 1 15 ALA H H 12.102 1.853 -0.068 1.00 . A A . 15 ALA H 1 1 20 4464 1 1 15 ALA HA H 11.764 -0.020 2.127 1.00 . A A . 15 ALA HA 1 1 20 4465 1 1 15 ALA HB1 H 13.909 0.426 2.689 1.00 . A A . 15 ALA HB1 1 1 20 4466 1 1 15 ALA HB2 H 13.760 2.147 2.334 1.00 . A A . 15 ALA HB2 1 1 20 4467 1 1 15 ALA HB3 H 13.984 0.993 1.020 1.00 . A A . 15 ALA HB3 1 1 20 4468 1 1 15 ALA N N 11.597 1.225 0.488 1.00 . A A . 15 ALA N 1 1 20 4469 1 1 15 ALA O O 11.864 2.971 3.222 1.00 . A A . 15 ALA O 1 1 20 4470 1 1 16 ALA C C 8.820 1.616 5.299 1.00 . A A . 16 ALA C 1 1 20 4471 1 1 16 ALA CA C 9.292 2.426 4.097 1.00 . A A . 16 ALA CA 1 1 20 4472 1 1 16 ALA CB C 8.101 3.032 3.367 1.00 . A A . 16 ALA CB 1 1 20 4473 1 1 16 ALA H H 9.689 0.775 2.833 1.00 . A A . 16 ALA H 1 1 20 4474 1 1 16 ALA HA H 9.920 3.233 4.443 1.00 . A A . 16 ALA HA 1 1 20 4475 1 1 16 ALA HB1 H 7.941 4.040 3.717 1.00 . A A . 16 ALA HB1 1 1 20 4476 1 1 16 ALA HB2 H 7.220 2.438 3.560 1.00 . A A . 16 ALA HB2 1 1 20 4477 1 1 16 ALA HB3 H 8.301 3.046 2.304 1.00 . A A . 16 ALA HB3 1 1 20 4478 1 1 16 ALA N N 10.078 1.603 3.186 1.00 . A A . 16 ALA N 1 1 20 4479 1 1 16 ALA O O 8.182 2.207 6.197 1.00 . A A . 16 ALA O 1 1 20 4480 1 1 16 ALA OXT O 9.091 0.397 5.334 1.00 . A A . 16 ALA OXT 1 1 stop_ save_
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