NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
431255 | 2jq2 | 15267 | cing | 4-filtered-FRED | STAR | entry | full | 144 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2jq2 # This FRED archive file contains, for PDB entry <2jq2>: # # - 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_2jq2 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2jq2 _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 1613.88 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 $pw2 A . 1 1 stop_ save_ save_pw2 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name pw2 _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code HPLKQYWWRPSI _Entity.Number_of_monomers 12 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 HIS . 1 1 2 PRO . 1 1 3 LEU . 1 1 4 LYS . 1 1 5 GLN . 1 1 6 TYR . 1 1 7 TRP . 1 1 8 TRP . 1 1 9 ARG . 1 1 10 PRO . 1 1 11 SER . 1 1 12 ILE . 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 HIS 1 1 1 1 PRO 2 2 1 1 LEU 3 3 1 1 LYS 4 4 1 1 GLN 5 5 1 1 TYR 6 6 1 1 TRP 7 7 1 1 TRP 8 8 1 1 ARG 9 9 1 1 PRO 10 10 1 1 SER 11 11 1 1 ILE 12 12 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 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 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 HIS H1 . 1 . HT# 1 1 1 1 2 1 1 1 HIS HA . 1 . HA 1 1 2 1 1 1 1 1 HIS H1 . 1 . HT# 1 1 2 1 2 1 1 1 HIS HB2 . 1 . HB2 1 1 3 1 1 1 1 1 HIS H1 . 1 . HT# 1 1 3 1 2 1 1 1 HIS HB3 . 1 . HB1 1 1 4 1 1 1 1 1 HIS HB2 . 1 . HB2 1 1 4 1 2 1 1 1 HIS HD1 . 1 . HD# 1 1 4 1 2 1 1 1 HIS HD2 . 1 . HD# 1 1 5 1 1 1 1 2 PRO HA . 2 . HA 1 1 5 1 2 1 1 2 PRO HD3 . 2 . HD1 1 1 6 1 1 1 1 2 PRO HA . 2 . HA 1 1 6 1 2 1 1 2 PRO HG2 . 2 . HG2 1 1 7 1 1 1 1 2 PRO HA . 2 . HA 1 1 7 1 2 1 1 3 LEU H . 3 . HN 1 1 8 1 1 1 1 2 PRO HA . 2 . HA 1 1 8 1 2 1 1 3 LEU HG . 3 . HG 1 1 9 1 1 1 1 2 PRO HA . 2 . HA 1 1 9 1 2 1 1 4 LYS H . 4 . HN 1 1 10 1 1 1 1 2 PRO HB2 . 2 . HB2 1 1 10 1 2 1 1 2 PRO HD3 . 2 . HD1 1 1 11 1 1 1 1 2 PRO HB2 . 2 . HB2 1 1 11 1 2 1 1 2 PRO HG2 . 2 . HG2 1 1 12 1 1 1 1 2 PRO HB2 . 2 . HB2 1 1 12 1 2 1 1 3 LEU H . 3 . HN 1 1 13 1 1 1 1 2 PRO HB2 . 2 . HB2 1 1 13 1 2 1 1 4 LYS H . 4 . HN 1 1 14 1 1 1 1 2 PRO HB3 . 2 . HB1 1 1 14 1 2 1 1 2 PRO HD3 . 2 . HD1 1 1 15 1 1 1 1 2 PRO HD3 . 2 . HD1 1 1 15 1 2 1 1 3 LEU H . 3 . HN 1 1 16 1 1 1 1 2 PRO HG2 . 2 . HG2 1 1 16 1 2 1 1 3 LEU H . 3 . HN 1 1 17 1 1 1 1 2 PRO HG2 . 2 . HG2 1 1 17 1 2 1 1 4 LYS H . 4 . HN 1 1 18 1 1 1 1 2 PRO HG2 . 2 . HG2 1 1 18 1 2 1 1 4 LYS QG . 4 . HG# 1 1 19 1 1 1 1 2 PRO HG2 . 2 . HG2 1 1 19 1 2 1 1 5 GLN H . 5 . HN 1 1 20 1 1 1 1 2 PRO HG3 . 2 . HG1 1 1 20 1 2 1 1 3 LEU H . 3 . HN 1 1 21 1 1 1 1 3 LEU H . 3 . HN 1 1 21 1 2 1 1 3 LEU HB2 . 3 . HB2 1 1 22 1 1 1 1 3 LEU H . 3 . HN 1 1 22 1 2 1 1 3 LEU HB3 . 3 . HB1 1 1 23 1 1 1 1 3 LEU H . 3 . HN 1 1 23 1 2 1 1 3 LEU QD . 3 . HD## 1 1 24 1 1 1 1 3 LEU H . 3 . HN 1 1 24 1 2 1 1 3 LEU HG . 3 . HG 1 1 25 1 1 1 1 3 LEU H . 3 . HN 1 1 25 1 2 1 1 4 LYS H . 4 . HN 1 1 26 1 1 1 1 3 LEU H . 3 . HN 1 1 26 1 2 1 1 5 GLN H . 5 . HN 1 1 27 1 1 1 1 3 LEU HA . 3 . HA 1 1 27 1 2 1 1 3 LEU HB3 . 3 . HB1 1 1 28 1 1 1 1 3 LEU HA . 3 . HA 1 1 28 1 2 1 1 3 LEU QD . 3 . HD## 1 1 29 1 1 1 1 3 LEU HA . 3 . HA 1 1 29 1 2 1 1 3 LEU HG . 3 . HG 1 1 30 1 1 1 1 3 LEU HA . 3 . HA 1 1 30 1 2 1 1 4 LYS H . 4 . HN 1 1 31 1 1 1 1 3 LEU HA . 3 . HA 1 1 31 1 2 1 1 5 GLN H . 5 . HN 1 1 32 1 1 1 1 3 LEU HB2 . 3 . HB2 1 1 32 1 2 1 1 6 TYR QD . 6 . HD# 1 1 33 1 1 1 1 3 LEU HB2 . 3 . HB2 1 1 33 1 2 1 1 7 TRP H . 7 . HN 1 1 34 1 1 1 1 3 LEU HB3 . 3 . HB1 1 1 34 1 2 1 1 6 TYR QD . 6 . HD# 1 1 35 1 1 1 1 3 LEU HB3 . 3 . HB1 1 1 35 1 2 1 1 6 TYR QE . 6 . HE# 1 1 36 1 1 1 1 3 LEU QD . 3 . HD## 1 1 36 1 2 1 1 4 LYS H . 4 . HN 1 1 37 1 1 1 1 3 LEU QD . 3 . HD## 1 1 37 1 2 1 1 5 GLN H . 5 . HN 1 1 38 1 1 1 1 3 LEU QD . 3 . HD## 1 1 38 1 2 1 1 6 TYR QD . 6 . HD# 1 1 39 1 1 1 1 3 LEU QD . 3 . HD## 1 1 39 1 2 1 1 6 TYR QE . 6 . HE# 1 1 40 1 1 1 1 3 LEU HG . 3 . HG 1 1 40 1 2 1 1 6 TYR QD . 6 . HD# 1 1 41 1 1 1 1 4 LYS H . 4 . HN 1 1 41 1 2 1 1 4 LYS HB2 . 4 . HB2 1 1 42 1 1 1 1 4 LYS H . 4 . HN 1 1 42 1 2 1 1 4 LYS HB3 . 4 . HB1 1 1 43 1 1 1 1 4 LYS H . 4 . HN 1 1 43 1 2 1 1 4 LYS QG . 4 . HG# 1 1 44 1 1 1 1 4 LYS H . 4 . HN 1 1 44 1 2 1 1 5 GLN H . 5 . HN 1 1 45 1 1 1 1 4 LYS H . 4 . HN 1 1 45 1 2 1 1 6 TYR H . 6 . HN 1 1 46 1 1 1 1 4 LYS HA . 4 . HA 1 1 46 1 2 1 1 4 LYS HB2 . 4 . HB2 1 1 47 1 1 1 1 4 LYS HA . 4 . HA 1 1 47 1 2 1 1 4 LYS QG . 4 . HG# 1 1 48 1 1 1 1 4 LYS HA . 4 . HA 1 1 48 1 2 1 1 5 GLN H . 5 . HN 1 1 49 1 1 1 1 4 LYS HA . 4 . HA 1 1 49 1 2 1 1 6 TYR H . 6 . HN 1 1 50 1 1 1 1 4 LYS HA . 4 . HA 1 1 50 1 2 1 1 6 TYR QD . 6 . HD# 1 1 51 1 1 1 1 4 LYS HA . 4 . HA 1 1 51 1 2 1 1 7 TRP H . 7 . HN 1 1 52 1 1 1 1 4 LYS HA . 4 . HA 1 1 52 1 2 1 1 7 TRP QB . 7 . HB# 1 1 53 1 1 1 1 4 LYS HA . 4 . HA 1 1 53 1 2 1 1 7 TRP HD1 . 7 . HD1 1 1 54 1 1 1 1 4 LYS HB2 . 4 . HB2 1 1 54 1 2 1 1 4 LYS QE . 4 . HE# 1 1 55 1 1 1 1 4 LYS HB3 . 4 . HB1 1 1 55 1 2 1 1 4 LYS QE . 4 . HE# 1 1 56 1 1 1 1 4 LYS HB3 . 4 . HB1 1 1 56 1 2 1 1 4 LYS QG . 4 . HG# 1 1 57 1 1 1 1 4 LYS HB3 . 4 . HB1 1 1 57 1 2 1 1 5 GLN H . 5 . HN 1 1 58 1 1 1 1 4 LYS HB3 . 4 . HB1 1 1 58 1 2 1 1 6 TYR H . 6 . HN 1 1 59 1 1 1 1 4 LYS QG . 4 . HG# 1 1 59 1 2 1 1 5 GLN H . 5 . HN 1 1 60 1 1 1 1 4 LYS QG . 4 . HG# 1 1 60 1 2 1 1 5 GLN QG . 5 . HG# 1 1 61 1 1 1 1 5 GLN H . 5 . HN 1 1 61 1 2 1 1 5 GLN QB . 5 . HB# 1 1 62 1 1 1 1 5 GLN H . 5 . HN 1 1 62 1 2 1 1 5 GLN QG . 5 . HG# 1 1 63 1 1 1 1 5 GLN H . 5 . HN 1 1 63 1 2 1 1 6 TYR H . 6 . HN 1 1 64 1 1 1 1 5 GLN H . 5 . HN 1 1 64 1 2 1 1 6 TYR QD . 6 . HD# 1 1 65 1 1 1 1 5 GLN H . 5 . HN 1 1 65 1 2 1 1 7 TRP H . 7 . HN 1 1 66 1 1 1 1 5 GLN HA . 5 . HA 1 1 66 1 2 1 1 5 GLN QG . 5 . HG# 1 1 67 1 1 1 1 5 GLN HA . 5 . HA 1 1 67 1 2 1 1 6 TYR H . 6 . HN 1 1 68 1 1 1 1 5 GLN HA . 5 . HA 1 1 68 1 2 1 1 6 TYR QD . 6 . HD# 1 1 69 1 1 1 1 5 GLN HA . 5 . HA 1 1 69 1 2 1 1 7 TRP H . 7 . HN 1 1 70 1 1 1 1 5 GLN HA . 5 . HA 1 1 70 1 2 1 1 7 TRP HD1 . 7 . HD1 1 1 71 1 1 1 1 5 GLN QB . 5 . HB# 1 1 71 1 2 1 1 5 GLN QG . 5 . HG# 1 1 72 1 1 1 1 5 GLN QB . 5 . HB# 1 1 72 1 2 1 1 6 TYR H . 6 . HN 1 1 73 1 1 1 1 5 GLN QB . 5 . HB# 1 1 73 1 2 1 1 7 TRP H . 7 . HN 1 1 74 1 1 1 1 5 GLN QG . 5 . HG# 1 1 74 1 2 1 1 6 TYR H . 6 . HN 1 1 75 1 1 1 1 5 GLN QG . 5 . HG# 1 1 75 1 2 1 1 6 TYR QD . 6 . HD# 1 1 76 1 1 1 1 5 GLN QG . 5 . HG# 1 1 76 1 2 1 1 6 TYR QE . 6 . HE# 1 1 77 1 1 1 1 5 GLN QG . 5 . HG# 1 1 77 1 2 1 1 7 TRP H . 7 . HN 1 1 78 1 1 1 1 6 TYR H . 6 . HN 1 1 78 1 2 1 1 6 TYR QB . 6 . HB# 1 1 79 1 1 1 1 6 TYR H . 6 . HN 1 1 79 1 2 1 1 6 TYR QD . 6 . HD# 1 1 80 1 1 1 1 6 TYR H . 6 . HN 1 1 80 1 2 1 1 7 TRP H . 7 . HN 1 1 81 1 1 1 1 6 TYR H . 6 . HN 1 1 81 1 2 1 1 7 TRP QB . 7 . HB# 1 1 82 1 1 1 1 6 TYR HA . 6 . HA 1 1 82 1 2 1 1 6 TYR QD . 6 . HD# 1 1 83 1 1 1 1 6 TYR HA . 6 . HA 1 1 83 1 2 1 1 7 TRP H . 7 . HN 1 1 84 1 1 1 1 6 TYR HA . 6 . HA 1 1 84 1 2 1 1 7 TRP HD1 . 7 . HD1 1 1 85 1 1 1 1 6 TYR QB . 6 . HB# 1 1 85 1 2 1 1 6 TYR QD . 6 . HD# 1 1 86 1 1 1 1 6 TYR QB . 6 . HB# 1 1 86 1 2 1 1 7 TRP H . 7 . HN 1 1 87 1 1 1 1 6 TYR QB . 6 . HB# 1 1 87 1 2 1 1 7 TRP HD1 . 7 . HD1 1 1 88 1 1 1 1 6 TYR QD . 6 . HD# 1 1 88 1 2 1 1 7 TRP H . 7 . HN 1 1 89 1 1 1 1 7 TRP H . 7 . HN 1 1 89 1 2 1 1 7 TRP QB . 7 . HB# 1 1 90 1 1 1 1 7 TRP H . 7 . HN 1 1 90 1 2 1 1 7 TRP HE3 . 7 . HE3 1 1 91 1 1 1 1 7 TRP H . 7 . HN 1 1 91 1 2 1 1 8 TRP H . 8 . HN 1 1 92 1 1 1 1 7 TRP HA . 7 . HA 1 1 92 1 2 1 1 7 TRP HD1 . 7 . HD1 1 1 93 1 1 1 1 7 TRP HA . 7 . HA 1 1 93 1 2 1 1 7 TRP HE3 . 7 . HE3 1 1 94 1 1 1 1 7 TRP HA . 7 . HA 1 1 94 1 2 1 1 8 TRP HB2 . 8 . HB2 1 1 95 1 1 1 1 7 TRP HA . 7 . HA 1 1 95 1 2 1 1 9 ARG H . 9 . HN 1 1 96 1 1 1 1 7 TRP HA . 7 . HA 1 1 96 1 2 1 1 11 SER H . 11 . HN 1 1 97 1 1 1 1 7 TRP QB . 7 . HB# 1 1 97 1 2 1 1 7 TRP HD1 . 7 . HD1 1 1 98 1 1 1 1 7 TRP QB . 7 . HB# 1 1 98 1 2 1 1 7 TRP HE3 . 7 . HE3 1 1 99 1 1 1 1 7 TRP QB . 7 . HB# 1 1 99 1 2 1 1 8 TRP H . 8 . HN 1 1 100 1 1 1 1 8 TRP H . 8 . HN 1 1 100 1 2 1 1 8 TRP HB2 . 8 . HB2 1 1 101 1 1 1 1 8 TRP H . 8 . HN 1 1 101 1 2 1 1 8 TRP HB3 . 8 . HB1 1 1 102 1 1 1 1 8 TRP H . 8 . HN 1 1 102 1 2 1 1 9 ARG QG . 9 . HG# 1 1 103 1 1 1 1 8 TRP HA . 8 . HA 1 1 103 1 2 1 1 8 TRP HD1 . 8 . HD1 1 1 104 1 1 1 1 8 TRP HB2 . 8 . HB2 1 1 104 1 2 1 1 8 TRP HD1 . 8 . HD1 1 1 105 1 1 1 1 8 TRP HB2 . 8 . HB2 1 1 105 1 2 1 1 8 TRP HE3 . 8 . HE3 1 1 106 1 1 1 1 8 TRP HB2 . 8 . HB2 1 1 106 1 2 1 1 9 ARG H . 9 . HN 1 1 107 1 1 1 1 8 TRP HB2 . 8 . HB2 1 1 107 1 2 1 1 10 PRO HD2 . 10 . HD2 1 1 108 1 1 1 1 8 TRP HB2 . 8 . HB2 1 1 108 1 2 1 1 10 PRO HD3 . 10 . HD1 1 1 109 1 1 1 1 8 TRP HB3 . 8 . HB1 1 1 109 1 2 1 1 8 TRP HD1 . 8 . HD1 1 1 110 1 1 1 1 8 TRP HB3 . 8 . HB1 1 1 110 1 2 1 1 8 TRP HE3 . 8 . HE3 1 1 111 1 1 1 1 8 TRP HB3 . 8 . HB1 1 1 111 1 2 1 1 9 ARG H . 9 . HN 1 1 112 1 1 1 1 8 TRP HD1 . 8 . HD# 1 1 112 1 2 1 1 9 ARG QG . 9 . HG# 1 1 113 1 1 1 1 8 TRP HH2 . 8 . HH2 1 1 113 1 2 1 1 9 ARG HG3 . 9 . HG1 1 1 114 1 1 1 1 8 TRP HZ3 . 8 . HZ3 1 1 114 1 2 1 1 9 ARG QD . 9 . HD# 1 1 115 1 1 1 1 9 ARG H . 9 . HN 1 1 115 1 2 1 1 9 ARG QB . 9 . HB# 1 1 116 1 1 1 1 9 ARG H . 9 . HN 1 1 116 1 2 1 1 9 ARG HG2 . 9 . HG2 1 1 117 1 1 1 1 9 ARG H . 9 . HN 1 1 117 1 2 1 1 9 ARG HG3 . 9 . HG1 1 1 118 1 1 1 1 9 ARG H . 9 . HN 1 1 118 1 2 1 1 10 PRO QD . 10 . HD# 1 1 119 1 1 1 1 9 ARG HA . 9 . HA 1 1 119 1 2 1 1 9 ARG HG2 . 9 . HG2 1 1 120 1 1 1 1 9 ARG HA . 9 . HA 1 1 120 1 2 1 1 9 ARG HG3 . 9 . HG1 1 1 121 1 1 1 1 9 ARG HA . 9 . HA 1 1 121 1 2 1 1 10 PRO QD . 10 . HD# 1 1 122 1 1 1 1 9 ARG HA . 9 . HA 1 1 122 1 2 1 1 12 ILE H . 12 . HN 1 1 123 1 1 1 1 9 ARG QB . 9 . HB# 1 1 123 1 2 1 1 9 ARG HE . 9 . HE 1 1 124 1 1 1 1 9 ARG QB . 9 . HB# 1 1 124 1 2 1 1 9 ARG HG2 . 9 . HG2 1 1 125 1 1 1 1 9 ARG QB . 9 . HB# 1 1 125 1 2 1 1 10 PRO QB . 10 . HB# 1 1 126 1 1 1 1 9 ARG QB . 9 . HB# 1 1 126 1 2 1 1 10 PRO QD . 10 . HD# 1 1 127 1 1 1 1 9 ARG HE . 9 . HE 1 1 127 1 2 1 1 9 ARG HG2 . 9 . HG2 1 1 128 1 1 1 1 9 ARG HE . 9 . HE 1 1 128 1 2 1 1 9 ARG HG3 . 9 . HG1 1 1 129 1 1 1 1 9 ARG QG . 9 . HG# 1 1 129 1 2 1 1 10 PRO QD . 10 . HD# 1 1 130 1 1 1 1 9 ARG HG2 . 9 . HG2 1 1 130 1 2 1 1 10 PRO QD . 10 . HD# 1 1 131 1 1 1 1 10 PRO HA . 10 . HA 1 1 131 1 2 1 1 12 ILE H . 12 . HN 1 1 132 1 1 1 1 10 PRO QB . 10 . HB# 1 1 132 1 2 1 1 10 PRO HG2 . 10 . HG2 1 1 133 1 1 1 1 10 PRO QB . 10 . HB# 1 1 133 1 2 1 1 11 SER H . 11 . HN 1 1 134 1 1 1 1 10 PRO QD . 10 . HD# 1 1 134 1 2 1 1 11 SER H . 11 . HN 1 1 135 1 1 1 1 10 PRO HG2 . 10 . HG2 1 1 135 1 2 1 1 11 SER H . 11 . HN 1 1 136 1 1 1 1 10 PRO HG2 . 10 . HG2 1 1 136 1 2 1 1 12 ILE H . 12 . HN 1 1 137 1 1 1 1 11 SER H . 11 . HN 1 1 137 1 2 1 1 11 SER QB . 11 . HB# 1 1 138 1 1 1 1 11 SER H . 11 . HN 1 1 138 1 2 1 1 12 ILE H . 12 . HN 1 1 139 1 1 1 1 11 SER QB . 11 . HB# 1 1 139 1 2 1 1 12 ILE H . 12 . 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 . . . . . 3.33 1.8 5.0 1 1 2 1 . . . . . 4.01 1.8 5.0 1 1 3 1 . . . . . 4.37 1.8 5.0 1 1 4 1 . . . . . 3.14 1.8 5.0 1 1 5 1 . . . . . 3.97 1.8 5.0 1 1 6 1 . . . . . 3.21 1.8 5.0 1 1 7 1 . . . . . 2.64 1.8 3.4 1 1 8 1 . . . . . 4.38 1.8 5.0 1 1 9 1 . . . . . 4.11 1.8 5.0 1 1 10 1 . . . . . 4.2 1.8 5.0 1 1 11 1 . . . . . 2.41 1.8 3.4 1 1 12 1 . . . . . 3.77 1.8 5.0 1 1 13 1 . . . . . 4.63 1.8 5.0 1 1 14 1 . . . . . 3.23 1.8 5.0 1 1 15 1 . . . . . 4.31 1.8 5.0 1 1 16 1 . . . . . 3.7 1.8 5.0 1 1 17 1 . . . . . 4.16 1.8 5.0 1 1 18 1 . . . . . 4.0 1.8 5.0 1 1 19 1 . . . . . 4.35 1.8 5.0 1 1 20 1 . . . . . 4.58 1.8 5.0 1 1 21 1 . . . . . 3.4 1.8 5.0 1 1 22 1 . . . . . 3.04 1.8 3.4 1 1 23 1 . . . . . 4.22 1.8 5.0 1 1 24 1 . . . . . 3.08 1.8 5.0 1 1 25 1 . . . . . 3.1 1.8 5.0 1 1 26 1 . . . . . 4.5 1.8 5.0 1 1 27 1 . . . . . 2.81 1.8 3.4 1 1 28 1 . . . . . . 1.8 3.4 1 1 29 1 . . . . . 3.31 1.8 5.0 1 1 30 1 . . . . . . 1.8 3.4 1 1 31 1 . . . . . 3.97 1.8 5.0 1 1 32 1 . . . . . 4.08 1.8 5.0 1 1 33 1 . . . . . 4.27 1.8 5.0 1 1 34 1 . . . . . 4.11 1.8 5.0 1 1 35 1 . . . . . 4.57 1.8 5.0 1 1 36 1 . . . . . 4.52 1.8 5.0 1 1 37 1 . . . . . 5.0 1.8 5.0 1 1 38 1 . . . . . 3.83 1.8 5.0 1 1 39 1 . . . . . 3.86 1.8 5.0 1 1 40 1 . . . . . 4.33 1.8 5.0 1 1 41 1 . . . . . 2.78 1.8 3.4 1 1 42 1 . . . . . 3.38 1.8 5.0 1 1 43 1 . . . . . 3.42 1.8 5.0 1 1 44 1 . . . . . 2.97 1.8 3.4 1 1 45 1 . . . . . 4.36 1.8 5.0 1 1 46 1 . . . . . 2.98 1.8 3.4 1 1 47 1 . . . . . 3.68 1.8 5.0 1 1 48 1 . . . . . 3.22 1.8 3.4 1 1 49 1 . . . . . 3.89 1.8 5.0 1 1 50 1 . . . . . 4.9 1.8 5.0 1 1 51 1 . . . . . 4.17 1.8 5.0 1 1 52 1 . . . . . 4.26 1.8 5.0 1 1 53 1 . . . . . 4.22 1.8 5.0 1 1 54 1 . . . . . 4.27 1.8 5.0 1 1 55 1 . . . . . 3.55 1.8 3.9 1 1 56 1 . . . . . 2.53 1.8 3.4 1 1 57 1 . . . . . 3.92 1.8 5.0 1 1 58 1 . . . . . 4.39 1.8 5.0 1 1 59 1 . . . . . 3.93 1.8 5.0 1 1 60 1 . . . . . 4.11 1.8 5.0 1 1 61 1 . . . . . 2.77 1.8 3.4 1 1 62 1 . . . . . 3.24 1.8 5.0 1 1 63 1 . . . . . 3.01 1.8 3.4 1 1 64 1 . . . . . 3.96 1.8 5.0 1 1 65 1 . . . . . 3.99 1.8 5.0 1 1 66 1 . . . . . 3.78 1.8 5.0 1 1 67 1 . . . . . 3.32 1.8 3.4 1 1 68 1 . . . . . 4.11 1.8 5.0 1 1 69 1 . . . . . 3.9 1.8 5.0 1 1 70 1 . . . . . 4.28 1.8 5.0 1 1 71 1 . . . . . 2.38 1.8 3.4 1 1 72 1 . . . . . 3.38 1.8 5.0 1 1 73 1 . . . . . 4.59 1.8 5.0 1 1 74 1 . . . . . 3.86 1.8 5.0 1 1 75 1 . . . . . 4.33 1.8 5.0 1 1 76 1 . . . . . 4.13 1.8 5.0 1 1 77 1 . . . . . 4.7 1.8 5.0 1 1 78 1 . . . . . 3.11 1.8 3.4 1 1 79 1 . . . . . 3.26 1.8 5.0 1 1 80 1 . . . . . 3.03 1.8 5.0 1 1 81 1 . . . . . 4.9 1.8 5.0 1 1 82 1 . . . . . . 1.8 3.4 1 1 83 1 . . . . . . 1.8 3.4 1 1 84 1 . . . . . 3.82 1.8 5.0 1 1 85 1 . . . . . 2.96 1.8 3.4 1 1 86 1 . . . . . 3.8 1.8 5.0 1 1 87 1 . . . . . 3.72 1.8 5.0 1 1 88 1 . . . . . 3.57 1.8 5.0 1 1 89 1 . . . . . 2.96 1.8 3.4 1 1 90 1 . . . . . 3.68 1.8 5.0 1 1 91 1 . . . . . 2.92 1.8 3.4 1 1 92 1 . . . . . 3.96 1.8 4.02 1 1 93 1 . . . . . 2.77 1.8 4.37 1 1 94 1 . . . . . 2.78 1.8 5.0 1 1 95 1 . . . . . 2.62 1.8 3.4 1 1 96 1 . . . . . 4.37 1.8 5.0 1 1 97 1 . . . . . 2.77 1.8 3.4 1 1 98 1 . . . . . 3.18 1.8 3.4 1 1 99 1 . . . . . 2.99 1.8 3.99 1 1 100 1 . . . . . 3.18 1.8 5.0 1 1 101 1 . . . . . 3.41 1.8 5.0 1 1 102 1 . . . . . 4.45 1.8 5.0 1 1 103 1 . . . . . 3.15 1.8 5.0 1 1 104 1 . . . . . 3.38 1.8 5.0 1 1 105 1 . . . . . 3.34 1.8 5.0 1 1 106 1 . . . . . 3.63 1.8 5.0 1 1 107 1 . . . . . 4.4 1.8 5.0 1 1 108 1 . . . . . 4.57 1.8 5.0 1 1 109 1 . . . . . 3.63 1.8 5.0 1 1 110 1 . . . . . 3.55 1.8 5.0 1 1 111 1 . . . . . 4.05 1.8 5.0 1 1 112 1 . . . . . 4.9 1.8 5.0 1 1 113 1 . . . . . 4.09 1.8 5.0 1 1 114 1 . . . . . 4.06 1.8 5.0 1 1 115 1 . . . . . 3.59 1.8 5.0 1 1 116 1 . . . . . 3.39 1.8 3.4 1 1 117 1 . . . . . 3.79 1.8 5.0 1 1 118 1 . . . . . 4.09 1.8 5.0 1 1 119 1 . . . . . 4.0 1.8 5.0 1 1 120 1 . . . . . 3.51 1.8 5.0 1 1 121 1 . . . . . . 1.8 3.4 1 1 122 1 . . . . . 4.9 1.8 5.0 1 1 123 1 . . . . . 4.21 1.8 5.0 1 1 124 1 . . . . . 2.34 1.8 3.4 1 1 125 1 . . . . . 4.12 1.8 5.0 1 1 126 1 . . . . . 3.88 1.8 5.0 1 1 127 1 . . . . . 3.74 1.8 5.0 1 1 128 1 . . . . . 3.74 1.8 5.0 1 1 129 1 . . . . . 4.54 1.8 5.0 1 1 130 1 . . . . . 3.79 1.8 5.0 1 1 131 1 . . . . . . 1.8 3.4 1 1 132 1 . . . . . 2.37 1.8 3.4 1 1 133 1 . . . . . 3.9 1.8 5.0 1 1 134 1 . . . . . 4.31 1.8 5.0 1 1 135 1 . . . . . 3.78 1.8 5.0 1 1 136 1 . . . . . 3.91 1.8 5.0 1 1 137 1 . . . . . 3.41 1.8 5.0 1 1 138 1 . . . . . 3.54 1.8 5.0 1 1 139 1 . . . . . 4.03 1.8 5.0 1 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 2 PRO C 1 1 3 LEU N 1 1 3 LEU CA 1 1 3 LEU C -89.99999 -30.0 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1 2 . 1 1 3 LEU C 1 1 4 LYS N 1 1 4 LYS CA 1 1 4 LYS C -89.99999 -30.0 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1 3 . 1 1 4 LYS C 1 1 5 GLN N 1 1 5 GLN CA 1 1 5 GLN C -89.99999 -30.0 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1 4 . 1 1 5 GLN C 1 1 6 TYR N 1 1 6 TYR CA 1 1 6 TYR C -89.99999 -30.0 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1 5 . 1 1 6 TYR C 1 1 7 TRP N 1 1 7 TRP CA 1 1 7 TRP C -89.99999 -30.0 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 HIS C C -9.905 -0.730 -1.731 1.00 . A A . 1 HIS C 1 1 1 2 1 1 1 HIS CA C -10.889 -0.106 -2.718 1.00 . A A . 1 HIS CA 1 1 1 3 1 1 1 HIS CB C -11.463 1.192 -2.147 1.00 . A A . 1 HIS CB 1 1 1 4 1 1 1 HIS CD2 C -12.388 3.108 -3.632 1.00 . A A . 1 HIS CD2 1 1 1 5 1 1 1 HIS CE1 C -14.229 2.127 -4.309 1.00 . A A . 1 HIS CE1 1 1 1 6 1 1 1 HIS CG C -12.425 1.877 -3.069 1.00 . A A . 1 HIS CG 1 1 1 7 1 1 1 HIS H1 H -12.716 -0.932 -2.247 1.00 . A A . 1 HIS H1 1 1 1 8 1 1 1 HIS H2 H -11.629 -2.000 -3.037 1.00 . A A . 1 HIS H2 1 1 1 9 1 1 1 HIS H3 H -12.420 -0.763 -3.927 1.00 . A A . 1 HIS H3 1 1 1 10 1 1 1 HIS HA H -10.374 0.108 -3.642 1.00 . A A . 1 HIS HA 1 1 1 11 1 1 1 HIS HB2 H -11.985 0.974 -1.228 1.00 . A A . 1 HIS HB2 1 1 1 12 1 1 1 HIS HB3 H -10.652 1.877 -1.942 1.00 . A A . 1 HIS HB3 1 1 1 13 1 1 1 HIS HD1 H -13.901 0.389 -3.280 1.00 . A A . 1 HIS HD1 1 1 1 14 1 1 1 HIS HD2 H -11.613 3.850 -3.503 1.00 . A A . 1 HIS HD2 1 1 1 15 1 1 1 HIS HE1 H -15.170 1.936 -4.803 1.00 . A A . 1 HIS HE1 1 1 1 16 1 1 1 HIS HE2 H -13.750 4.012 -4.951 1.00 . A A . 1 HIS HE2 1 1 1 17 1 1 1 HIS N N -12.015 -1.034 -3.008 1.00 . A A . 1 HIS N 1 1 1 18 1 1 1 HIS ND1 N -13.590 1.289 -3.513 1.00 . A A . 1 HIS ND1 1 1 1 19 1 1 1 HIS NE2 N -13.521 3.237 -4.397 1.00 . A A . 1 HIS NE2 1 1 1 20 1 1 1 HIS O O -9.812 -0.304 -0.579 1.00 . A A . 1 HIS O 1 1 1 21 1 1 2 PRO C C -7.125 -1.513 -0.771 1.00 . A A . 2 PRO C 1 1 1 22 1 1 2 PRO CA C -8.177 -2.448 -1.334 1.00 . A A . 2 PRO CA 1 1 1 23 1 1 2 PRO CB C -7.523 -3.450 -2.301 1.00 . A A . 2 PRO CB 1 1 1 24 1 1 2 PRO CD C -9.198 -2.334 -3.517 1.00 . A A . 2 PRO CD 1 1 1 25 1 1 2 PRO CG C -7.822 -2.905 -3.647 1.00 . A A . 2 PRO CG 1 1 1 26 1 1 2 PRO HA H -8.654 -2.983 -0.525 1.00 . A A . 2 PRO HA 1 1 1 27 1 1 2 PRO HB2 H -6.460 -3.496 -2.119 1.00 . A A . 2 PRO HB2 1 1 1 28 1 1 2 PRO HB3 H -7.960 -4.427 -2.163 1.00 . A A . 2 PRO HB3 1 1 1 29 1 1 2 PRO HD2 H -9.380 -1.580 -4.267 1.00 . A A . 2 PRO HD2 1 1 1 30 1 1 2 PRO HD3 H -9.927 -3.119 -3.568 1.00 . A A . 2 PRO HD3 1 1 1 31 1 1 2 PRO HG2 H -7.108 -2.133 -3.900 1.00 . A A . 2 PRO HG2 1 1 1 32 1 1 2 PRO HG3 H -7.808 -3.695 -4.382 1.00 . A A . 2 PRO HG3 1 1 1 33 1 1 2 PRO N N -9.156 -1.755 -2.172 1.00 . A A . 2 PRO N 1 1 1 34 1 1 2 PRO O O -7.288 -0.292 -0.760 1.00 . A A . 2 PRO O 1 1 1 35 1 1 3 LEU C C -3.886 -1.004 -0.788 1.00 . A A . 3 LEU C 1 1 1 36 1 1 3 LEU CA C -4.932 -1.363 0.266 1.00 . A A . 3 LEU CA 1 1 1 37 1 1 3 LEU CB C -4.290 -2.159 1.409 1.00 . A A . 3 LEU CB 1 1 1 38 1 1 3 LEU CD1 C -2.790 -3.598 -0.012 1.00 . A A . 3 LEU CD1 1 1 1 39 1 1 3 LEU CD2 C -3.369 -4.307 2.314 1.00 . A A . 3 LEU CD2 1 1 1 40 1 1 3 LEU CG C -3.863 -3.591 1.066 1.00 . A A . 3 LEU CG 1 1 1 41 1 1 3 LEU H H -5.992 -3.083 -0.359 1.00 . A A . 3 LEU H 1 1 1 42 1 1 3 LEU HA H -5.337 -0.449 0.669 1.00 . A A . 3 LEU HA 1 1 1 43 1 1 3 LEU HB2 H -3.417 -1.618 1.742 1.00 . A A . 3 LEU HB2 1 1 1 44 1 1 3 LEU HB3 H -4.995 -2.205 2.225 1.00 . A A . 3 LEU HB3 1 1 1 45 1 1 3 LEU HD11 H -2.316 -4.569 -0.040 1.00 . A A . 3 LEU HD11 1 1 1 46 1 1 3 LEU HD12 H -2.051 -2.844 0.210 1.00 . A A . 3 LEU HD12 1 1 1 47 1 1 3 LEU HD13 H -3.242 -3.391 -0.970 1.00 . A A . 3 LEU HD13 1 1 1 48 1 1 3 LEU HD21 H -4.214 -4.614 2.912 1.00 . A A . 3 LEU HD21 1 1 1 49 1 1 3 LEU HD22 H -2.744 -3.639 2.890 1.00 . A A . 3 LEU HD22 1 1 1 50 1 1 3 LEU HD23 H -2.796 -5.176 2.027 1.00 . A A . 3 LEU HD23 1 1 1 51 1 1 3 LEU HG H -4.717 -4.132 0.688 1.00 . A A . 3 LEU HG 1 1 1 52 1 1 3 LEU N N -6.044 -2.109 -0.306 1.00 . A A . 3 LEU N 1 1 1 53 1 1 3 LEU O O -2.708 -0.848 -0.472 1.00 . A A . 3 LEU O 1 1 1 54 1 1 4 LYS C C -2.672 0.745 -2.848 1.00 . A A . 4 LYS C 1 1 1 55 1 1 4 LYS CA C -3.413 -0.547 -3.123 1.00 . A A . 4 LYS CA 1 1 1 56 1 1 4 LYS CB C -4.205 -0.421 -4.402 1.00 . A A . 4 LYS CB 1 1 1 57 1 1 4 LYS CD C -5.721 0.985 -5.836 1.00 . A A . 4 LYS CD 1 1 1 58 1 1 4 LYS CE C -6.506 -0.225 -6.317 1.00 . A A . 4 LYS CE 1 1 1 59 1 1 4 LYS CG C -5.145 0.776 -4.443 1.00 . A A . 4 LYS CG 1 1 1 60 1 1 4 LYS H H -5.256 -1.014 -2.249 1.00 . A A . 4 LYS H 1 1 1 61 1 1 4 LYS HA H -2.701 -1.346 -3.224 1.00 . A A . 4 LYS HA 1 1 1 62 1 1 4 LYS HB2 H -3.529 -0.357 -5.223 1.00 . A A . 4 LYS HB2 1 1 1 63 1 1 4 LYS HB3 H -4.793 -1.309 -4.500 1.00 . A A . 4 LYS HB3 1 1 1 64 1 1 4 LYS HD2 H -6.381 1.840 -5.816 1.00 . A A . 4 LYS HD2 1 1 1 65 1 1 4 LYS HD3 H -4.911 1.173 -6.525 1.00 . A A . 4 LYS HD3 1 1 1 66 1 1 4 LYS HE2 H -6.814 -0.054 -7.337 1.00 . A A . 4 LYS HE2 1 1 1 67 1 1 4 LYS HE3 H -5.863 -1.092 -6.278 1.00 . A A . 4 LYS HE3 1 1 1 68 1 1 4 LYS HG2 H -5.954 0.610 -3.748 1.00 . A A . 4 LYS HG2 1 1 1 69 1 1 4 LYS HG3 H -4.596 1.660 -4.153 1.00 . A A . 4 LYS HG3 1 1 1 70 1 1 4 LYS HZ1 H -7.491 -0.338 -4.479 1.00 . A A . 4 LYS HZ1 1 1 1 71 1 1 4 LYS HZ2 H -8.042 -1.454 -5.625 1.00 . A A . 4 LYS HZ2 1 1 1 72 1 1 4 LYS HZ3 H -8.476 0.175 -5.754 1.00 . A A . 4 LYS HZ3 1 1 1 73 1 1 4 LYS N N -4.314 -0.879 -2.040 1.00 . A A . 4 LYS N 1 1 1 74 1 1 4 LYS NZ N -7.713 -0.478 -5.485 1.00 . A A . 4 LYS NZ 1 1 1 75 1 1 4 LYS O O -1.545 0.944 -3.303 1.00 . A A . 4 LYS O 1 1 1 76 1 1 5 GLN C C -1.832 2.732 -0.504 1.00 . A A . 5 GLN C 1 1 1 77 1 1 5 GLN CA C -2.707 2.887 -1.744 1.00 . A A . 5 GLN CA 1 1 1 78 1 1 5 GLN CB C -3.780 3.944 -1.498 1.00 . A A . 5 GLN CB 1 1 1 79 1 1 5 GLN CD C -2.366 5.891 -2.262 1.00 . A A . 5 GLN CD 1 1 1 80 1 1 5 GLN CG C -3.211 5.307 -1.146 1.00 . A A . 5 GLN CG 1 1 1 81 1 1 5 GLN H H -4.205 1.391 -1.759 1.00 . A A . 5 GLN H 1 1 1 82 1 1 5 GLN HA H -2.086 3.198 -2.572 1.00 . A A . 5 GLN HA 1 1 1 83 1 1 5 GLN HB2 H -4.381 4.047 -2.389 1.00 . A A . 5 GLN HB2 1 1 1 84 1 1 5 GLN HB3 H -4.411 3.620 -0.683 1.00 . A A . 5 GLN HB3 1 1 1 85 1 1 5 GLN HE21 H -3.591 7.457 -2.394 1.00 . A A . 5 GLN HE21 1 1 1 86 1 1 5 GLN HE22 H -2.239 7.450 -3.496 1.00 . A A . 5 GLN HE22 1 1 1 87 1 1 5 GLN HG2 H -4.026 5.982 -0.939 1.00 . A A . 5 GLN HG2 1 1 1 88 1 1 5 GLN HG3 H -2.595 5.204 -0.265 1.00 . A A . 5 GLN HG3 1 1 1 89 1 1 5 GLN N N -3.310 1.615 -2.095 1.00 . A A . 5 GLN N 1 1 1 90 1 1 5 GLN NE2 N -2.773 7.049 -2.767 1.00 . A A . 5 GLN NE2 1 1 1 91 1 1 5 GLN O O -1.242 3.699 -0.024 1.00 . A A . 5 GLN O 1 1 1 92 1 1 5 GLN OE1 O -1.360 5.308 -2.664 1.00 . A A . 5 GLN OE1 1 1 1 93 1 1 6 TYR C C 0.502 0.891 0.857 1.00 . A A . 6 TYR C 1 1 1 94 1 1 6 TYR CA C -0.936 1.260 1.210 1.00 . A A . 6 TYR CA 1 1 1 95 1 1 6 TYR CB C -1.562 0.173 2.081 1.00 . A A . 6 TYR CB 1 1 1 96 1 1 6 TYR CD1 C -3.946 0.990 1.927 1.00 . A A . 6 TYR CD1 1 1 1 97 1 1 6 TYR CD2 C -3.033 0.587 4.090 1.00 . A A . 6 TYR CD2 1 1 1 98 1 1 6 TYR CE1 C -5.143 1.376 2.499 1.00 . A A . 6 TYR CE1 1 1 1 99 1 1 6 TYR CE2 C -4.226 0.970 4.671 1.00 . A A . 6 TYR CE2 1 1 1 100 1 1 6 TYR CG C -2.873 0.589 2.711 1.00 . A A . 6 TYR CG 1 1 1 101 1 1 6 TYR CZ C -5.278 1.364 3.872 1.00 . A A . 6 TYR CZ 1 1 1 102 1 1 6 TYR H H -2.239 0.761 -0.414 1.00 . A A . 6 TYR H 1 1 1 103 1 1 6 TYR HA H -0.915 2.179 1.775 1.00 . A A . 6 TYR HA 1 1 1 104 1 1 6 TYR HB2 H -1.745 -0.704 1.479 1.00 . A A . 6 TYR HB2 1 1 1 105 1 1 6 TYR HB3 H -0.877 -0.081 2.877 1.00 . A A . 6 TYR HB3 1 1 1 106 1 1 6 TYR HD1 H -3.838 0.997 0.854 1.00 . A A . 6 TYR HD1 1 1 1 107 1 1 6 TYR HD2 H -2.206 0.278 4.715 1.00 . A A . 6 TYR HD2 1 1 1 108 1 1 6 TYR HE1 H -5.966 1.684 1.872 1.00 . A A . 6 TYR HE1 1 1 1 109 1 1 6 TYR HE2 H -4.331 0.961 5.745 1.00 . A A . 6 TYR HE2 1 1 1 110 1 1 6 TYR HH H -6.666 1.172 5.187 1.00 . A A . 6 TYR HH 1 1 1 111 1 1 6 TYR N N -1.747 1.510 0.015 1.00 . A A . 6 TYR N 1 1 1 112 1 1 6 TYR O O 1.367 0.836 1.730 1.00 . A A . 6 TYR O 1 1 1 113 1 1 6 TYR OH O -6.468 1.747 4.444 1.00 . A A . 6 TYR OH 1 1 1 114 1 1 7 TRP C C 2.988 1.504 -0.915 1.00 . A A . 7 TRP C 1 1 1 115 1 1 7 TRP CA C 2.074 0.289 -0.889 1.00 . A A . 7 TRP CA 1 1 1 116 1 1 7 TRP CB C 1.950 -0.322 -2.272 1.00 . A A . 7 TRP CB 1 1 1 117 1 1 7 TRP CD1 C -0.328 -1.526 -2.176 1.00 . A A . 7 TRP CD1 1 1 1 118 1 1 7 TRP CD2 C 1.442 -2.845 -2.409 1.00 . A A . 7 TRP CD2 1 1 1 119 1 1 7 TRP CE2 C 0.300 -3.655 -2.391 1.00 . A A . 7 TRP CE2 1 1 1 120 1 1 7 TRP CE3 C 2.681 -3.419 -2.538 1.00 . A A . 7 TRP CE3 1 1 1 121 1 1 7 TRP CG C 1.032 -1.502 -2.300 1.00 . A A . 7 TRP CG 1 1 1 122 1 1 7 TRP CH2 C 1.624 -5.596 -2.624 1.00 . A A . 7 TRP CH2 1 1 1 123 1 1 7 TRP CZ2 C 0.375 -5.043 -2.499 1.00 . A A . 7 TRP CZ2 1 1 1 124 1 1 7 TRP CZ3 C 2.775 -4.794 -2.641 1.00 . A A . 7 TRP CZ3 1 1 1 125 1 1 7 TRP H H 0.045 0.695 -1.071 1.00 . A A . 7 TRP H 1 1 1 126 1 1 7 TRP HA H 2.483 -0.439 -0.211 1.00 . A A . 7 TRP HA 1 1 1 127 1 1 7 TRP HB2 H 1.564 0.421 -2.957 1.00 . A A . 7 TRP HB2 1 1 1 128 1 1 7 TRP HB3 H 2.924 -0.645 -2.608 1.00 . A A . 7 TRP HB3 1 1 1 129 1 1 7 TRP HD1 H -0.941 -0.651 -2.059 1.00 . A A . 7 TRP HD1 1 1 1 130 1 1 7 TRP HE1 H -1.718 -3.105 -2.209 1.00 . A A . 7 TRP HE1 1 1 1 131 1 1 7 TRP HE3 H 3.557 -2.794 -2.543 1.00 . A A . 7 TRP HE3 1 1 1 132 1 1 7 TRP HH2 H 1.738 -6.667 -2.707 1.00 . A A . 7 TRP HH2 1 1 1 133 1 1 7 TRP HZ2 H -0.504 -5.669 -2.486 1.00 . A A . 7 TRP HZ2 1 1 1 134 1 1 7 TRP HZ3 H 3.744 -5.263 -2.742 1.00 . A A . 7 TRP HZ3 1 1 1 135 1 1 7 TRP N N 0.757 0.643 -0.422 1.00 . A A . 7 TRP N 1 1 1 136 1 1 7 TRP NE1 N -0.781 -2.824 -2.253 1.00 . A A . 7 TRP NE1 1 1 1 137 1 1 7 TRP O O 3.589 1.835 -1.938 1.00 . A A . 7 TRP O 1 1 1 138 1 1 8 TRP C C 5.391 3.020 0.256 1.00 . A A . 8 TRP C 1 1 1 139 1 1 8 TRP CA C 3.905 3.346 0.385 1.00 . A A . 8 TRP CA 1 1 1 140 1 1 8 TRP CB C 3.630 3.973 1.748 1.00 . A A . 8 TRP CB 1 1 1 141 1 1 8 TRP CD1 C 4.376 6.384 1.296 1.00 . A A . 8 TRP CD1 1 1 1 142 1 1 8 TRP CD2 C 5.396 5.413 3.036 1.00 . A A . 8 TRP CD2 1 1 1 143 1 1 8 TRP CE2 C 5.895 6.721 2.898 1.00 . A A . 8 TRP CE2 1 1 1 144 1 1 8 TRP CE3 C 5.891 4.607 4.064 1.00 . A A . 8 TRP CE3 1 1 1 145 1 1 8 TRP CG C 4.423 5.218 2.004 1.00 . A A . 8 TRP CG 1 1 1 146 1 1 8 TRP CH2 C 7.333 6.427 4.749 1.00 . A A . 8 TRP CH2 1 1 1 147 1 1 8 TRP CZ2 C 6.867 7.240 3.751 1.00 . A A . 8 TRP CZ2 1 1 1 148 1 1 8 TRP CZ3 C 6.854 5.122 4.910 1.00 . A A . 8 TRP CZ3 1 1 1 149 1 1 8 TRP H H 2.566 1.836 0.994 1.00 . A A . 8 TRP H 1 1 1 150 1 1 8 TRP HA H 3.631 4.049 -0.386 1.00 . A A . 8 TRP HA 1 1 1 151 1 1 8 TRP HB2 H 2.583 4.217 1.814 1.00 . A A . 8 TRP HB2 1 1 1 152 1 1 8 TRP HB3 H 3.875 3.256 2.519 1.00 . A A . 8 TRP HB3 1 1 1 153 1 1 8 TRP HD1 H 3.733 6.554 0.445 1.00 . A A . 8 TRP HD1 1 1 1 154 1 1 8 TRP HE1 H 5.404 8.206 1.499 1.00 . A A . 8 TRP HE1 1 1 1 155 1 1 8 TRP HE3 H 5.533 3.598 4.206 1.00 . A A . 8 TRP HE3 1 1 1 156 1 1 8 TRP HH2 H 8.087 6.786 5.431 1.00 . A A . 8 TRP HH2 1 1 1 157 1 1 8 TRP HZ2 H 7.246 8.245 3.641 1.00 . A A . 8 TRP HZ2 1 1 1 158 1 1 8 TRP HZ3 H 7.248 4.514 5.710 1.00 . A A . 8 TRP HZ3 1 1 1 159 1 1 8 TRP N N 3.078 2.159 0.228 1.00 . A A . 8 TRP N 1 1 1 160 1 1 8 TRP NE1 N 5.257 7.295 1.829 1.00 . A A . 8 TRP NE1 1 1 1 161 1 1 8 TRP O O 6.186 3.890 -0.095 1.00 . A A . 8 TRP O 1 1 1 162 1 1 9 ARG C C 7.446 0.172 1.468 1.00 . A A . 9 ARG C 1 1 1 163 1 1 9 ARG CA C 7.138 1.286 0.455 1.00 . A A . 9 ARG CA 1 1 1 164 1 1 9 ARG CB C 8.161 2.421 0.623 1.00 . A A . 9 ARG CB 1 1 1 165 1 1 9 ARG CD C 9.052 4.323 2.002 1.00 . A A . 9 ARG CD 1 1 1 166 1 1 9 ARG CG C 8.019 3.210 1.915 1.00 . A A . 9 ARG CG 1 1 1 167 1 1 9 ARG CZ C 9.712 6.338 0.747 1.00 . A A . 9 ARG CZ 1 1 1 168 1 1 9 ARG H H 5.054 1.124 0.791 1.00 . A A . 9 ARG H 1 1 1 169 1 1 9 ARG HA H 7.256 0.870 -0.525 1.00 . A A . 9 ARG HA 1 1 1 170 1 1 9 ARG HB2 H 9.152 1.995 0.601 1.00 . A A . 9 ARG HB2 1 1 1 171 1 1 9 ARG HB3 H 8.063 3.106 -0.207 1.00 . A A . 9 ARG HB3 1 1 1 172 1 1 9 ARG HD2 H 8.916 4.849 2.935 1.00 . A A . 9 ARG HD2 1 1 1 173 1 1 9 ARG HD3 H 10.038 3.885 1.978 1.00 . A A . 9 ARG HD3 1 1 1 174 1 1 9 ARG HE H 8.220 5.112 0.240 1.00 . A A . 9 ARG HE 1 1 1 175 1 1 9 ARG HG2 H 7.033 3.644 1.957 1.00 . A A . 9 ARG HG2 1 1 1 176 1 1 9 ARG HG3 H 8.156 2.541 2.752 1.00 . A A . 9 ARG HG3 1 1 1 177 1 1 9 ARG HH11 H 10.825 5.977 2.398 1.00 . A A . 9 ARG HH11 1 1 1 178 1 1 9 ARG HH12 H 11.269 7.388 1.498 1.00 . A A . 9 ARG HH12 1 1 1 179 1 1 9 ARG HH21 H 8.804 6.968 -0.945 1.00 . A A . 9 ARG HH21 1 1 1 180 1 1 9 ARG HH22 H 10.119 7.953 -0.399 1.00 . A A . 9 ARG HH22 1 1 1 181 1 1 9 ARG N N 5.749 1.760 0.535 1.00 . A A . 9 ARG N 1 1 1 182 1 1 9 ARG NE N 8.927 5.274 0.900 1.00 . A A . 9 ARG NE 1 1 1 183 1 1 9 ARG NH1 N 10.681 6.588 1.620 1.00 . A A . 9 ARG NH1 1 1 1 184 1 1 9 ARG NH2 N 9.531 7.153 -0.283 1.00 . A A . 9 ARG NH2 1 1 1 185 1 1 9 ARG O O 8.265 -0.703 1.185 1.00 . A A . 9 ARG O 1 1 1 186 1 1 10 PRO C C 6.228 -2.100 3.470 1.00 . A A . 10 PRO C 1 1 1 187 1 1 10 PRO CA C 7.066 -0.844 3.678 1.00 . A A . 10 PRO CA 1 1 1 188 1 1 10 PRO CB C 6.662 -0.135 4.964 1.00 . A A . 10 PRO CB 1 1 1 189 1 1 10 PRO CD C 5.827 1.164 3.123 1.00 . A A . 10 PRO CD 1 1 1 190 1 1 10 PRO CG C 5.543 0.755 4.548 1.00 . A A . 10 PRO CG 1 1 1 191 1 1 10 PRO HA H 8.111 -1.113 3.722 1.00 . A A . 10 PRO HA 1 1 1 192 1 1 10 PRO HB2 H 6.343 -0.862 5.696 1.00 . A A . 10 PRO HB2 1 1 1 193 1 1 10 PRO HB3 H 7.497 0.432 5.346 1.00 . A A . 10 PRO HB3 1 1 1 194 1 1 10 PRO HD2 H 4.927 1.103 2.537 1.00 . A A . 10 PRO HD2 1 1 1 195 1 1 10 PRO HD3 H 6.232 2.160 3.085 1.00 . A A . 10 PRO HD3 1 1 1 196 1 1 10 PRO HG2 H 4.612 0.212 4.599 1.00 . A A . 10 PRO HG2 1 1 1 197 1 1 10 PRO HG3 H 5.509 1.624 5.188 1.00 . A A . 10 PRO HG3 1 1 1 198 1 1 10 PRO N N 6.817 0.177 2.660 1.00 . A A . 10 PRO N 1 1 1 199 1 1 10 PRO O O 6.532 -3.156 4.023 1.00 . A A . 10 PRO O 1 1 1 200 1 1 11 SER C C 5.105 -4.277 1.778 1.00 . A A . 11 SER C 1 1 1 201 1 1 11 SER CA C 4.309 -3.117 2.377 1.00 . A A . 11 SER CA 1 1 1 202 1 1 11 SER CB C 3.191 -2.705 1.417 1.00 . A A . 11 SER CB 1 1 1 203 1 1 11 SER H H 4.988 -1.118 2.242 1.00 . A A . 11 SER H 1 1 1 204 1 1 11 SER HA H 3.870 -3.442 3.309 1.00 . A A . 11 SER HA 1 1 1 205 1 1 11 SER HB2 H 2.554 -3.555 1.223 1.00 . A A . 11 SER HB2 1 1 1 206 1 1 11 SER HB3 H 2.608 -1.914 1.866 1.00 . A A . 11 SER HB3 1 1 1 207 1 1 11 SER HG H 4.190 -2.958 -0.250 1.00 . A A . 11 SER HG 1 1 1 208 1 1 11 SER N N 5.178 -1.984 2.661 1.00 . A A . 11 SER N 1 1 1 209 1 1 11 SER O O 4.641 -5.417 1.764 1.00 . A A . 11 SER O 1 1 1 210 1 1 11 SER OG O 3.721 -2.242 0.187 1.00 . A A . 11 SER OG 1 1 1 211 1 1 12 ILE C C 7.397 -6.152 1.648 1.00 . A A . 12 ILE C 1 1 1 212 1 1 12 ILE CA C 7.165 -4.991 0.683 1.00 . A A . 12 ILE CA 1 1 1 213 1 1 12 ILE CB C 8.527 -4.398 0.266 1.00 . A A . 12 ILE CB 1 1 1 214 1 1 12 ILE CD1 C 9.616 -2.596 -1.166 1.00 . A A . 12 ILE CD1 1 1 1 215 1 1 12 ILE CG1 C 8.323 -3.245 -0.719 1.00 . A A . 12 ILE CG1 1 1 1 216 1 1 12 ILE CG2 C 9.416 -5.473 -0.349 1.00 . A A . 12 ILE CG2 1 1 1 217 1 1 12 ILE H H 6.620 -3.048 1.322 1.00 . A A . 12 ILE H 1 1 1 218 1 1 12 ILE HA H 6.671 -5.366 -0.202 1.00 . A A . 12 ILE HA 1 1 1 219 1 1 12 ILE HB H 9.018 -4.023 1.150 1.00 . A A . 12 ILE HB 1 1 1 220 1 1 12 ILE HD11 H 10.292 -2.523 -0.327 1.00 . A A . 12 ILE HD11 1 1 1 221 1 1 12 ILE HD12 H 9.410 -1.606 -1.546 1.00 . A A . 12 ILE HD12 1 1 1 222 1 1 12 ILE HD13 H 10.070 -3.193 -1.943 1.00 . A A . 12 ILE HD13 1 1 1 223 1 1 12 ILE HG12 H 7.819 -3.615 -1.598 1.00 . A A . 12 ILE HG12 1 1 1 224 1 1 12 ILE HG13 H 7.713 -2.485 -0.252 1.00 . A A . 12 ILE HG13 1 1 1 225 1 1 12 ILE HG21 H 10.111 -5.833 0.395 1.00 . A A . 12 ILE HG21 1 1 1 226 1 1 12 ILE HG22 H 9.964 -5.056 -1.182 1.00 . A A . 12 ILE HG22 1 1 1 227 1 1 12 ILE HG23 H 8.803 -6.291 -0.695 1.00 . A A . 12 ILE HG23 1 1 1 228 1 1 12 ILE N N 6.305 -3.976 1.284 1.00 . A A . 12 ILE N 1 1 1 229 1 1 12 ILE O O 7.054 -7.298 1.288 1.00 . A A . 12 ILE O 1 1 1 230 1 1 12 ILE OXT O 7.920 -5.905 2.755 1.00 . A A . 12 ILE OXT 1 1 2 231 1 1 1 HIS C C -9.405 0.187 -2.536 1.00 . A A . 1 HIS C 1 1 2 232 1 1 1 HIS CA C -10.049 0.736 -3.808 1.00 . A A . 1 HIS CA 1 1 2 233 1 1 1 HIS CB C -8.971 1.151 -4.811 1.00 . A A . 1 HIS CB 1 1 2 234 1 1 1 HIS CD2 C -9.357 1.205 -7.375 1.00 . A A . 1 HIS CD2 1 1 2 235 1 1 1 HIS CE1 C -10.683 2.950 -7.462 1.00 . A A . 1 HIS CE1 1 1 2 236 1 1 1 HIS CG C -9.525 1.652 -6.107 1.00 . A A . 1 HIS CG 1 1 2 237 1 1 1 HIS H1 H -10.289 2.759 -3.508 1.00 . A A . 1 HIS H1 1 1 2 238 1 1 1 HIS H2 H -11.339 1.768 -2.581 1.00 . A A . 1 HIS H2 1 1 2 239 1 1 1 HIS H3 H -11.621 1.983 -4.260 1.00 . A A . 1 HIS H3 1 1 2 240 1 1 1 HIS HA H -10.667 -0.032 -4.247 1.00 . A A . 1 HIS HA 1 1 2 241 1 1 1 HIS HB2 H -8.372 1.939 -4.379 1.00 . A A . 1 HIS HB2 1 1 2 242 1 1 1 HIS HB3 H -8.340 0.301 -5.024 1.00 . A A . 1 HIS HB3 1 1 2 243 1 1 1 HIS HD1 H -10.674 3.290 -5.445 1.00 . A A . 1 HIS HD1 1 1 2 244 1 1 1 HIS HD2 H -8.761 0.358 -7.682 1.00 . A A . 1 HIS HD2 1 1 2 245 1 1 1 HIS HE1 H -11.323 3.737 -7.832 1.00 . A A . 1 HIS HE1 1 1 2 246 1 1 1 HIS HE2 H -10.216 1.902 -9.159 1.00 . A A . 1 HIS HE2 1 1 2 247 1 1 1 HIS N N -10.901 1.919 -3.513 1.00 . A A . 1 HIS N 1 1 2 248 1 1 1 HIS ND1 N -10.361 2.745 -6.196 1.00 . A A . 1 HIS ND1 1 1 2 249 1 1 1 HIS NE2 N -10.087 2.030 -8.196 1.00 . A A . 1 HIS NE2 1 1 2 250 1 1 1 HIS O O -9.264 0.901 -1.543 1.00 . A A . 1 HIS O 1 1 2 251 1 1 2 PRO C C -7.185 -1.012 -0.859 1.00 . A A . 2 PRO C 1 1 2 252 1 1 2 PRO CA C -8.388 -1.768 -1.405 1.00 . A A . 2 PRO CA 1 1 2 253 1 1 2 PRO CB C -7.941 -3.126 -1.979 1.00 . A A . 2 PRO CB 1 1 2 254 1 1 2 PRO CD C -9.156 -2.026 -3.677 1.00 . A A . 2 PRO CD 1 1 2 255 1 1 2 PRO CG C -8.014 -2.960 -3.455 1.00 . A A . 2 PRO CG 1 1 2 256 1 1 2 PRO HA H -9.098 -1.930 -0.609 1.00 . A A . 2 PRO HA 1 1 2 257 1 1 2 PRO HB2 H -6.935 -3.347 -1.657 1.00 . A A . 2 PRO HB2 1 1 2 258 1 1 2 PRO HB3 H -8.612 -3.901 -1.636 1.00 . A A . 2 PRO HB3 1 1 2 259 1 1 2 PRO HD2 H -9.063 -1.516 -4.624 1.00 . A A . 2 PRO HD2 1 1 2 260 1 1 2 PRO HD3 H -10.085 -2.558 -3.612 1.00 . A A . 2 PRO HD3 1 1 2 261 1 1 2 PRO HG2 H -7.094 -2.530 -3.826 1.00 . A A . 2 PRO HG2 1 1 2 262 1 1 2 PRO HG3 H -8.207 -3.911 -3.928 1.00 . A A . 2 PRO HG3 1 1 2 263 1 1 2 PRO N N -9.013 -1.100 -2.551 1.00 . A A . 2 PRO N 1 1 2 264 1 1 2 PRO O O -6.999 0.176 -1.122 1.00 . A A . 2 PRO O 1 1 2 265 1 1 3 LEU C C -3.955 -1.314 -0.401 1.00 . A A . 3 LEU C 1 1 2 266 1 1 3 LEU CA C -5.170 -1.157 0.503 1.00 . A A . 3 LEU CA 1 1 2 267 1 1 3 LEU CB C -4.896 -1.790 1.872 1.00 . A A . 3 LEU CB 1 1 2 268 1 1 3 LEU CD1 C -3.781 -3.886 1.037 1.00 . A A . 3 LEU CD1 1 1 2 269 1 1 3 LEU CD2 C -4.744 -3.813 3.340 1.00 . A A . 3 LEU CD2 1 1 2 270 1 1 3 LEU CG C -4.890 -3.322 1.909 1.00 . A A . 3 LEU CG 1 1 2 271 1 1 3 LEU H H -6.586 -2.666 0.058 1.00 . A A . 3 LEU H 1 1 2 272 1 1 3 LEU HA H -5.352 -0.105 0.644 1.00 . A A . 3 LEU HA 1 1 2 273 1 1 3 LEU HB2 H -3.926 -1.445 2.205 1.00 . A A . 3 LEU HB2 1 1 2 274 1 1 3 LEU HB3 H -5.644 -1.437 2.566 1.00 . A A . 3 LEU HB3 1 1 2 275 1 1 3 LEU HD11 H -2.860 -3.362 1.242 1.00 . A A . 3 LEU HD11 1 1 2 276 1 1 3 LEU HD12 H -4.043 -3.763 -0.004 1.00 . A A . 3 LEU HD12 1 1 2 277 1 1 3 LEU HD13 H -3.653 -4.937 1.254 1.00 . A A . 3 LEU HD13 1 1 2 278 1 1 3 LEU HD21 H -3.702 -4.005 3.551 1.00 . A A . 3 LEU HD21 1 1 2 279 1 1 3 LEU HD22 H -5.311 -4.725 3.468 1.00 . A A . 3 LEU HD22 1 1 2 280 1 1 3 LEU HD23 H -5.116 -3.061 4.020 1.00 . A A . 3 LEU HD23 1 1 2 281 1 1 3 LEU HG H -5.833 -3.688 1.527 1.00 . A A . 3 LEU HG 1 1 2 282 1 1 3 LEU N N -6.372 -1.726 -0.098 1.00 . A A . 3 LEU N 1 1 2 283 1 1 3 LEU O O -2.833 -1.474 0.081 1.00 . A A . 3 LEU O 1 1 2 284 1 1 4 LYS C C -2.277 -0.111 -2.734 1.00 . A A . 4 LYS C 1 1 2 285 1 1 4 LYS CA C -3.077 -1.397 -2.655 1.00 . A A . 4 LYS CA 1 1 2 286 1 1 4 LYS CB C -3.605 -1.769 -4.037 1.00 . A A . 4 LYS CB 1 1 2 287 1 1 4 LYS CD C -3.577 -4.257 -3.575 1.00 . A A . 4 LYS CD 1 1 2 288 1 1 4 LYS CE C -2.448 -4.616 -4.537 1.00 . A A . 4 LYS CE 1 1 2 289 1 1 4 LYS CG C -4.399 -3.062 -4.049 1.00 . A A . 4 LYS CG 1 1 2 290 1 1 4 LYS H H -5.084 -1.129 -2.041 1.00 . A A . 4 LYS H 1 1 2 291 1 1 4 LYS HA H -2.436 -2.175 -2.293 1.00 . A A . 4 LYS HA 1 1 2 292 1 1 4 LYS HB2 H -4.249 -0.976 -4.387 1.00 . A A . 4 LYS HB2 1 1 2 293 1 1 4 LYS HB3 H -2.775 -1.869 -4.714 1.00 . A A . 4 LYS HB3 1 1 2 294 1 1 4 LYS HD2 H -3.147 -4.020 -2.614 1.00 . A A . 4 LYS HD2 1 1 2 295 1 1 4 LYS HD3 H -4.233 -5.109 -3.472 1.00 . A A . 4 LYS HD3 1 1 2 296 1 1 4 LYS HE2 H -2.011 -5.550 -4.221 1.00 . A A . 4 LYS HE2 1 1 2 297 1 1 4 LYS HE3 H -2.866 -4.735 -5.527 1.00 . A A . 4 LYS HE3 1 1 2 298 1 1 4 LYS HG2 H -5.249 -2.947 -3.394 1.00 . A A . 4 LYS HG2 1 1 2 299 1 1 4 LYS HG3 H -4.744 -3.250 -5.055 1.00 . A A . 4 LYS HG3 1 1 2 300 1 1 4 LYS HZ1 H -1.462 -2.941 -3.771 1.00 . A A . 4 LYS HZ1 1 1 2 301 1 1 4 LYS HZ2 H -1.460 -3.022 -5.461 1.00 . A A . 4 LYS HZ2 1 1 2 302 1 1 4 LYS HZ3 H -0.445 -4.032 -4.563 1.00 . A A . 4 LYS HZ3 1 1 2 303 1 1 4 LYS N N -4.173 -1.263 -1.707 1.00 . A A . 4 LYS N 1 1 2 304 1 1 4 LYS NZ N -1.381 -3.579 -4.587 1.00 . A A . 4 LYS NZ 1 1 2 305 1 1 4 LYS O O -1.086 -0.122 -3.046 1.00 . A A . 4 LYS O 1 1 2 306 1 1 5 GLN C C -1.661 2.580 -1.072 1.00 . A A . 5 GLN C 1 1 2 307 1 1 5 GLN CA C -2.282 2.287 -2.434 1.00 . A A . 5 GLN CA 1 1 2 308 1 1 5 GLN CB C -3.281 3.378 -2.807 1.00 . A A . 5 GLN CB 1 1 2 309 1 1 5 GLN CD C -5.489 4.496 -2.317 1.00 . A A . 5 GLN CD 1 1 2 310 1 1 5 GLN CG C -4.525 3.389 -1.935 1.00 . A A . 5 GLN CG 1 1 2 311 1 1 5 GLN H H -3.877 0.928 -2.167 1.00 . A A . 5 GLN H 1 1 2 312 1 1 5 GLN HA H -1.496 2.259 -3.175 1.00 . A A . 5 GLN HA 1 1 2 313 1 1 5 GLN HB2 H -2.795 4.337 -2.715 1.00 . A A . 5 GLN HB2 1 1 2 314 1 1 5 GLN HB3 H -3.585 3.234 -3.832 1.00 . A A . 5 GLN HB3 1 1 2 315 1 1 5 GLN HE21 H -5.339 5.278 -0.490 1.00 . A A . 5 GLN HE21 1 1 2 316 1 1 5 GLN HE22 H -6.392 6.119 -1.597 1.00 . A A . 5 GLN HE22 1 1 2 317 1 1 5 GLN HG2 H -5.033 2.440 -2.042 1.00 . A A . 5 GLN HG2 1 1 2 318 1 1 5 GLN HG3 H -4.229 3.526 -0.906 1.00 . A A . 5 GLN HG3 1 1 2 319 1 1 5 GLN N N -2.933 0.991 -2.425 1.00 . A A . 5 GLN N 1 1 2 320 1 1 5 GLN NE2 N -5.768 5.386 -1.373 1.00 . A A . 5 GLN NE2 1 1 2 321 1 1 5 GLN O O -1.172 3.681 -0.824 1.00 . A A . 5 GLN O 1 1 2 322 1 1 5 GLN OE1 O -5.975 4.549 -3.445 1.00 . A A . 5 GLN OE1 1 1 2 323 1 1 6 TYR C C 0.341 1.324 1.151 1.00 . A A . 6 TYR C 1 1 2 324 1 1 6 TYR CA C -1.128 1.726 1.145 1.00 . A A . 6 TYR CA 1 1 2 325 1 1 6 TYR CB C -1.898 0.876 2.165 1.00 . A A . 6 TYR CB 1 1 2 326 1 1 6 TYR CD1 C -4.051 1.909 1.280 1.00 . A A . 6 TYR CD1 1 1 2 327 1 1 6 TYR CD2 C -4.125 0.713 3.339 1.00 . A A . 6 TYR CD2 1 1 2 328 1 1 6 TYR CE1 C -5.404 2.173 1.380 1.00 . A A . 6 TYR CE1 1 1 2 329 1 1 6 TYR CE2 C -5.479 0.971 3.446 1.00 . A A . 6 TYR CE2 1 1 2 330 1 1 6 TYR CG C -3.386 1.178 2.260 1.00 . A A . 6 TYR CG 1 1 2 331 1 1 6 TYR CZ C -6.112 1.703 2.465 1.00 . A A . 6 TYR CZ 1 1 2 332 1 1 6 TYR H H -2.090 0.723 -0.446 1.00 . A A . 6 TYR H 1 1 2 333 1 1 6 TYR HA H -1.204 2.765 1.423 1.00 . A A . 6 TYR HA 1 1 2 334 1 1 6 TYR HB2 H -1.795 -0.164 1.898 1.00 . A A . 6 TYR HB2 1 1 2 335 1 1 6 TYR HB3 H -1.467 1.031 3.143 1.00 . A A . 6 TYR HB3 1 1 2 336 1 1 6 TYR HD1 H -3.500 2.264 0.427 1.00 . A A . 6 TYR HD1 1 1 2 337 1 1 6 TYR HD2 H -3.627 0.141 4.108 1.00 . A A . 6 TYR HD2 1 1 2 338 1 1 6 TYR HE1 H -5.900 2.746 0.612 1.00 . A A . 6 TYR HE1 1 1 2 339 1 1 6 TYR HE2 H -6.035 0.600 4.293 1.00 . A A . 6 TYR HE2 1 1 2 340 1 1 6 TYR HH H -7.873 1.857 1.709 1.00 . A A . 6 TYR HH 1 1 2 341 1 1 6 TYR N N -1.686 1.579 -0.191 1.00 . A A . 6 TYR N 1 1 2 342 1 1 6 TYR O O 1.117 1.759 2.003 1.00 . A A . 6 TYR O 1 1 2 343 1 1 6 TYR OH O -7.460 1.964 2.568 1.00 . A A . 6 TYR OH 1 1 2 344 1 1 7 TRP C C 2.977 1.099 -0.461 1.00 . A A . 7 TRP C 1 1 2 345 1 1 7 TRP CA C 2.070 0.004 0.059 1.00 . A A . 7 TRP CA 1 1 2 346 1 1 7 TRP CB C 2.105 -1.195 -0.880 1.00 . A A . 7 TRP CB 1 1 2 347 1 1 7 TRP CD1 C -0.261 -2.190 -0.770 1.00 . A A . 7 TRP CD1 1 1 2 348 1 1 7 TRP CD2 C 1.333 -3.473 0.102 1.00 . A A . 7 TRP CD2 1 1 2 349 1 1 7 TRP CE2 C 0.111 -4.151 0.221 1.00 . A A . 7 TRP CE2 1 1 2 350 1 1 7 TRP CE3 C 2.485 -4.063 0.581 1.00 . A A . 7 TRP CE3 1 1 2 351 1 1 7 TRP CG C 1.084 -2.240 -0.551 1.00 . A A . 7 TRP CG 1 1 2 352 1 1 7 TRP CH2 C 1.174 -5.975 1.280 1.00 . A A . 7 TRP CH2 1 1 2 353 1 1 7 TRP CZ2 C 0.016 -5.411 0.810 1.00 . A A . 7 TRP CZ2 1 1 2 354 1 1 7 TRP CZ3 C 2.403 -5.311 1.171 1.00 . A A . 7 TRP CZ3 1 1 2 355 1 1 7 TRP H H 0.056 0.177 -0.441 1.00 . A A . 7 TRP H 1 1 2 356 1 1 7 TRP HA H 2.412 -0.290 1.034 1.00 . A A . 7 TRP HA 1 1 2 357 1 1 7 TRP HB2 H 1.921 -0.859 -1.890 1.00 . A A . 7 TRP HB2 1 1 2 358 1 1 7 TRP HB3 H 3.081 -1.655 -0.832 1.00 . A A . 7 TRP HB3 1 1 2 359 1 1 7 TRP HD1 H -0.767 -1.365 -1.246 1.00 . A A . 7 TRP HD1 1 1 2 360 1 1 7 TRP HE1 H -1.806 -3.561 -0.391 1.00 . A A . 7 TRP HE1 1 1 2 361 1 1 7 TRP HE3 H 3.427 -3.550 0.503 1.00 . A A . 7 TRP HE3 1 1 2 362 1 1 7 TRP HH2 H 1.151 -6.949 1.748 1.00 . A A . 7 TRP HH2 1 1 2 363 1 1 7 TRP HZ2 H -0.925 -5.933 0.898 1.00 . A A . 7 TRP HZ2 1 1 2 364 1 1 7 TRP HZ3 H 3.295 -5.787 1.554 1.00 . A A . 7 TRP HZ3 1 1 2 365 1 1 7 TRP N N 0.713 0.486 0.192 1.00 . A A . 7 TRP N 1 1 2 366 1 1 7 TRP NE1 N -0.853 -3.349 -0.328 1.00 . A A . 7 TRP NE1 1 1 2 367 1 1 7 TRP O O 3.638 0.954 -1.490 1.00 . A A . 7 TRP O 1 1 2 368 1 1 8 TRP C C 5.265 3.131 0.320 1.00 . A A . 8 TRP C 1 1 2 369 1 1 8 TRP CA C 3.809 3.340 -0.084 1.00 . A A . 8 TRP CA 1 1 2 370 1 1 8 TRP CB C 3.253 4.580 0.605 1.00 . A A . 8 TRP CB 1 1 2 371 1 1 8 TRP CD1 C 4.112 6.343 -1.046 1.00 . A A . 8 TRP CD1 1 1 2 372 1 1 8 TRP CD2 C 4.564 6.798 1.098 1.00 . A A . 8 TRP CD2 1 1 2 373 1 1 8 TRP CE2 C 5.087 7.833 0.300 1.00 . A A . 8 TRP CE2 1 1 2 374 1 1 8 TRP CE3 C 4.725 6.871 2.485 1.00 . A A . 8 TRP CE3 1 1 2 375 1 1 8 TRP CG C 3.949 5.850 0.216 1.00 . A A . 8 TRP CG 1 1 2 376 1 1 8 TRP CH2 C 5.901 8.971 2.202 1.00 . A A . 8 TRP CH2 1 1 2 377 1 1 8 TRP CZ2 C 5.760 8.926 0.842 1.00 . A A . 8 TRP CZ2 1 1 2 378 1 1 8 TRP CZ3 C 5.391 7.956 3.022 1.00 . A A . 8 TRP CZ3 1 1 2 379 1 1 8 TRP H H 2.435 2.229 1.068 1.00 . A A . 8 TRP H 1 1 2 380 1 1 8 TRP HA H 3.755 3.475 -1.152 1.00 . A A . 8 TRP HA 1 1 2 381 1 1 8 TRP HB2 H 2.211 4.674 0.357 1.00 . A A . 8 TRP HB2 1 1 2 382 1 1 8 TRP HB3 H 3.351 4.460 1.675 1.00 . A A . 8 TRP HB3 1 1 2 383 1 1 8 TRP HD1 H 3.753 5.853 -1.940 1.00 . A A . 8 TRP HD1 1 1 2 384 1 1 8 TRP HE1 H 5.044 8.074 -1.785 1.00 . A A . 8 TRP HE1 1 1 2 385 1 1 8 TRP HE3 H 4.339 6.099 3.133 1.00 . A A . 8 TRP HE3 1 1 2 386 1 1 8 TRP HH2 H 6.415 9.799 2.666 1.00 . A A . 8 TRP HH2 1 1 2 387 1 1 8 TRP HZ2 H 6.158 9.716 0.223 1.00 . A A . 8 TRP HZ2 1 1 2 388 1 1 8 TRP HZ3 H 5.525 8.029 4.092 1.00 . A A . 8 TRP HZ3 1 1 2 389 1 1 8 TRP N N 2.995 2.192 0.268 1.00 . A A . 8 TRP N 1 1 2 390 1 1 8 TRP NE1 N 4.801 7.531 -1.006 1.00 . A A . 8 TRP NE1 1 1 2 391 1 1 8 TRP O O 6.178 3.570 -0.380 1.00 . A A . 8 TRP O 1 1 2 392 1 1 9 ARG C C 7.213 0.793 2.221 1.00 . A A . 9 ARG C 1 1 2 393 1 1 9 ARG CA C 6.843 2.269 1.967 1.00 . A A . 9 ARG CA 1 1 2 394 1 1 9 ARG CB C 7.050 3.064 3.257 1.00 . A A . 9 ARG CB 1 1 2 395 1 1 9 ARG CD C 8.119 5.162 2.316 1.00 . A A . 9 ARG CD 1 1 2 396 1 1 9 ARG CG C 6.945 4.577 3.094 1.00 . A A . 9 ARG CG 1 1 2 397 1 1 9 ARG CZ C 9.069 5.121 0.044 1.00 . A A . 9 ARG CZ 1 1 2 398 1 1 9 ARG H H 4.713 2.189 1.997 1.00 . A A . 9 ARG H 1 1 2 399 1 1 9 ARG HA H 7.520 2.651 1.225 1.00 . A A . 9 ARG HA 1 1 2 400 1 1 9 ARG HB2 H 6.308 2.754 3.977 1.00 . A A . 9 ARG HB2 1 1 2 401 1 1 9 ARG HB3 H 8.031 2.837 3.648 1.00 . A A . 9 ARG HB3 1 1 2 402 1 1 9 ARG HD2 H 8.079 6.238 2.390 1.00 . A A . 9 ARG HD2 1 1 2 403 1 1 9 ARG HD3 H 9.037 4.811 2.765 1.00 . A A . 9 ARG HD3 1 1 2 404 1 1 9 ARG HE H 7.346 4.276 0.577 1.00 . A A . 9 ARG HE 1 1 2 405 1 1 9 ARG HG2 H 6.033 4.805 2.563 1.00 . A A . 9 ARG HG2 1 1 2 406 1 1 9 ARG HG3 H 6.912 5.031 4.075 1.00 . A A . 9 ARG HG3 1 1 2 407 1 1 9 ARG HH11 H 10.202 6.095 1.406 1.00 . A A . 9 ARG HH11 1 1 2 408 1 1 9 ARG HH12 H 10.840 6.062 -0.203 1.00 . A A . 9 ARG HH12 1 1 2 409 1 1 9 ARG HH21 H 8.181 4.231 -1.538 1.00 . A A . 9 ARG HH21 1 1 2 410 1 1 9 ARG HH22 H 9.693 5.006 -1.875 1.00 . A A . 9 ARG HH22 1 1 2 411 1 1 9 ARG N N 5.480 2.489 1.467 1.00 . A A . 9 ARG N 1 1 2 412 1 1 9 ARG NE N 8.110 4.788 0.905 1.00 . A A . 9 ARG NE 1 1 2 413 1 1 9 ARG NH1 N 10.123 5.816 0.450 1.00 . A A . 9 ARG NH1 1 1 2 414 1 1 9 ARG NH2 N 8.973 4.756 -1.227 1.00 . A A . 9 ARG NH2 1 1 2 415 1 1 9 ARG O O 8.341 0.526 2.634 1.00 . A A . 9 ARG O 1 1 2 416 1 1 10 PRO C C 7.489 -2.204 1.093 1.00 . A A . 10 PRO C 1 1 2 417 1 1 10 PRO CA C 6.671 -1.604 2.231 1.00 . A A . 10 PRO CA 1 1 2 418 1 1 10 PRO CB C 5.311 -2.281 2.314 1.00 . A A . 10 PRO CB 1 1 2 419 1 1 10 PRO CD C 4.937 -0.067 1.497 1.00 . A A . 10 PRO CD 1 1 2 420 1 1 10 PRO CG C 4.472 -1.498 1.372 1.00 . A A . 10 PRO CG 1 1 2 421 1 1 10 PRO HA H 7.204 -1.730 3.161 1.00 . A A . 10 PRO HA 1 1 2 422 1 1 10 PRO HB2 H 5.397 -3.314 2.012 1.00 . A A . 10 PRO HB2 1 1 2 423 1 1 10 PRO HB3 H 4.934 -2.221 3.325 1.00 . A A . 10 PRO HB3 1 1 2 424 1 1 10 PRO HD2 H 4.918 0.423 0.535 1.00 . A A . 10 PRO HD2 1 1 2 425 1 1 10 PRO HD3 H 4.318 0.464 2.206 1.00 . A A . 10 PRO HD3 1 1 2 426 1 1 10 PRO HG2 H 4.622 -1.856 0.364 1.00 . A A . 10 PRO HG2 1 1 2 427 1 1 10 PRO HG3 H 3.435 -1.583 1.653 1.00 . A A . 10 PRO HG3 1 1 2 428 1 1 10 PRO N N 6.322 -0.199 1.993 1.00 . A A . 10 PRO N 1 1 2 429 1 1 10 PRO O O 8.126 -3.245 1.257 1.00 . A A . 10 PRO O 1 1 2 430 1 1 11 SER C C 9.700 -2.154 -0.907 1.00 . A A . 11 SER C 1 1 2 431 1 1 11 SER CA C 8.213 -2.015 -1.222 1.00 . A A . 11 SER CA 1 1 2 432 1 1 11 SER CB C 8.018 -1.058 -2.399 1.00 . A A . 11 SER CB 1 1 2 433 1 1 11 SER H H 6.946 -0.719 -0.131 1.00 . A A . 11 SER H 1 1 2 434 1 1 11 SER HA H 7.823 -2.984 -1.492 1.00 . A A . 11 SER HA 1 1 2 435 1 1 11 SER HB2 H 8.574 -1.419 -3.250 1.00 . A A . 11 SER HB2 1 1 2 436 1 1 11 SER HB3 H 6.968 -1.007 -2.650 1.00 . A A . 11 SER HB3 1 1 2 437 1 1 11 SER HG H 8.010 0.563 -1.299 1.00 . A A . 11 SER HG 1 1 2 438 1 1 11 SER N N 7.470 -1.543 -0.060 1.00 . A A . 11 SER N 1 1 2 439 1 1 11 SER O O 10.434 -2.829 -1.631 1.00 . A A . 11 SER O 1 1 2 440 1 1 11 SER OG O 8.473 0.245 -2.078 1.00 . A A . 11 SER OG 1 1 2 441 1 1 12 ILE C C 11.683 -1.569 2.091 1.00 . A A . 12 ILE C 1 1 2 442 1 1 12 ILE CA C 11.545 -1.576 0.572 1.00 . A A . 12 ILE CA 1 1 2 443 1 1 12 ILE CB C 12.345 -0.398 -0.020 1.00 . A A . 12 ILE CB 1 1 2 444 1 1 12 ILE CD1 C 14.669 0.630 -0.173 1.00 . A A . 12 ILE CD1 1 1 2 445 1 1 12 ILE CG1 C 13.820 -0.495 0.377 1.00 . A A . 12 ILE CG1 1 1 2 446 1 1 12 ILE CG2 C 11.754 0.927 0.441 1.00 . A A . 12 ILE CG2 1 1 2 447 1 1 12 ILE H H 9.516 -0.992 0.716 1.00 . A A . 12 ILE H 1 1 2 448 1 1 12 ILE HA H 11.962 -2.497 0.187 1.00 . A A . 12 ILE HA 1 1 2 449 1 1 12 ILE HB H 12.265 -0.443 -1.096 1.00 . A A . 12 ILE HB 1 1 2 450 1 1 12 ILE HD11 H 14.032 1.449 -0.474 1.00 . A A . 12 ILE HD11 1 1 2 451 1 1 12 ILE HD12 H 15.227 0.275 -1.028 1.00 . A A . 12 ILE HD12 1 1 2 452 1 1 12 ILE HD13 H 15.355 0.968 0.589 1.00 . A A . 12 ILE HD13 1 1 2 453 1 1 12 ILE HG12 H 13.898 -0.472 1.453 1.00 . A A . 12 ILE HG12 1 1 2 454 1 1 12 ILE HG13 H 14.225 -1.428 0.011 1.00 . A A . 12 ILE HG13 1 1 2 455 1 1 12 ILE HG21 H 11.833 1.653 -0.355 1.00 . A A . 12 ILE HG21 1 1 2 456 1 1 12 ILE HG22 H 12.294 1.281 1.306 1.00 . A A . 12 ILE HG22 1 1 2 457 1 1 12 ILE HG23 H 10.714 0.787 0.697 1.00 . A A . 12 ILE HG23 1 1 2 458 1 1 12 ILE N N 10.144 -1.516 0.174 1.00 . A A . 12 ILE N 1 1 2 459 1 1 12 ILE O O 11.202 -0.604 2.723 1.00 . A A . 12 ILE O 1 1 2 460 1 1 12 ILE OXT O 12.274 -2.524 2.636 1.00 . A A . 12 ILE OXT 1 1 3 461 1 1 1 HIS C C -9.863 -0.459 -1.727 1.00 . A A . 1 HIS C 1 1 3 462 1 1 1 HIS CA C -10.531 0.424 -2.776 1.00 . A A . 1 HIS CA 1 1 3 463 1 1 1 HIS CB C -9.570 1.524 -3.236 1.00 . A A . 1 HIS CB 1 1 3 464 1 1 1 HIS CD2 C -9.324 3.795 -2.005 1.00 . A A . 1 HIS CD2 1 1 3 465 1 1 1 HIS CE1 C -8.242 3.085 -0.236 1.00 . A A . 1 HIS CE1 1 1 3 466 1 1 1 HIS CG C -9.153 2.457 -2.143 1.00 . A A . 1 HIS CG 1 1 3 467 1 1 1 HIS H1 H -12.453 0.314 -2.049 1.00 . A A . 1 HIS H1 1 1 3 468 1 1 1 HIS H2 H -12.109 1.733 -2.952 1.00 . A A . 1 HIS H2 1 1 3 469 1 1 1 HIS H3 H -11.498 1.559 -1.357 1.00 . A A . 1 HIS H3 1 1 3 470 1 1 1 HIS HA H -10.808 -0.184 -3.624 1.00 . A A . 1 HIS HA 1 1 3 471 1 1 1 HIS HB2 H -8.679 1.068 -3.640 1.00 . A A . 1 HIS HB2 1 1 3 472 1 1 1 HIS HB3 H -10.049 2.110 -4.009 1.00 . A A . 1 HIS HB3 1 1 3 473 1 1 1 HIS HD1 H -8.193 1.125 -0.820 1.00 . A A . 1 HIS HD1 1 1 3 474 1 1 1 HIS HD2 H -9.820 4.451 -2.704 1.00 . A A . 1 HIS HD2 1 1 3 475 1 1 1 HIS HE1 H -7.726 3.063 0.714 1.00 . A A . 1 HIS HE1 1 1 3 476 1 1 1 HIS HE2 H -8.643 5.077 -0.488 1.00 . A A . 1 HIS HE2 1 1 3 477 1 1 1 HIS N N -11.758 1.065 -2.235 1.00 . A A . 1 HIS N 1 1 3 478 1 1 1 HIS ND1 N -8.470 2.044 -1.016 1.00 . A A . 1 HIS ND1 1 1 3 479 1 1 1 HIS NE2 N -8.749 4.158 -0.812 1.00 . A A . 1 HIS NE2 1 1 3 480 1 1 1 HIS O O -10.100 -0.300 -0.529 1.00 . A A . 1 HIS O 1 1 3 481 1 1 2 PRO C C -7.066 -1.645 -0.668 1.00 . A A . 2 PRO C 1 1 3 482 1 1 2 PRO CA C -8.310 -2.314 -1.262 1.00 . A A . 2 PRO CA 1 1 3 483 1 1 2 PRO CB C -7.970 -3.472 -2.207 1.00 . A A . 2 PRO CB 1 1 3 484 1 1 2 PRO CD C -8.666 -1.670 -3.575 1.00 . A A . 2 PRO CD 1 1 3 485 1 1 2 PRO CG C -7.664 -2.788 -3.485 1.00 . A A . 2 PRO CG 1 1 3 486 1 1 2 PRO HA H -8.951 -2.662 -0.465 1.00 . A A . 2 PRO HA 1 1 3 487 1 1 2 PRO HB2 H -7.133 -4.037 -1.842 1.00 . A A . 2 PRO HB2 1 1 3 488 1 1 2 PRO HB3 H -8.829 -4.120 -2.309 1.00 . A A . 2 PRO HB3 1 1 3 489 1 1 2 PRO HD2 H -8.223 -0.799 -4.037 1.00 . A A . 2 PRO HD2 1 1 3 490 1 1 2 PRO HD3 H -9.528 -1.994 -4.124 1.00 . A A . 2 PRO HD3 1 1 3 491 1 1 2 PRO HG2 H -6.657 -2.396 -3.464 1.00 . A A . 2 PRO HG2 1 1 3 492 1 1 2 PRO HG3 H -7.789 -3.472 -4.311 1.00 . A A . 2 PRO HG3 1 1 3 493 1 1 2 PRO N N -9.015 -1.405 -2.163 1.00 . A A . 2 PRO N 1 1 3 494 1 1 2 PRO O O -7.086 -0.447 -0.383 1.00 . A A . 2 PRO O 1 1 3 495 1 1 3 LEU C C -3.827 -1.329 -1.012 1.00 . A A . 3 LEU C 1 1 3 496 1 1 3 LEU CA C -4.762 -1.850 0.077 1.00 . A A . 3 LEU CA 1 1 3 497 1 1 3 LEU CB C -4.046 -2.892 0.945 1.00 . A A . 3 LEU CB 1 1 3 498 1 1 3 LEU CD1 C -2.909 -4.119 -0.933 1.00 . A A . 3 LEU CD1 1 1 3 499 1 1 3 LEU CD2 C -3.190 -5.221 1.290 1.00 . A A . 3 LEU CD2 1 1 3 500 1 1 3 LEU CG C -3.802 -4.255 0.289 1.00 . A A . 3 LEU CG 1 1 3 501 1 1 3 LEU H H -6.020 -3.337 -0.723 1.00 . A A . 3 LEU H 1 1 3 502 1 1 3 LEU HA H -5.048 -1.021 0.705 1.00 . A A . 3 LEU HA 1 1 3 503 1 1 3 LEU HB2 H -3.088 -2.482 1.234 1.00 . A A . 3 LEU HB2 1 1 3 504 1 1 3 LEU HB3 H -4.633 -3.048 1.838 1.00 . A A . 3 LEU HB3 1 1 3 505 1 1 3 LEU HD11 H -3.470 -3.681 -1.744 1.00 . A A . 3 LEU HD11 1 1 3 506 1 1 3 LEU HD12 H -2.553 -5.095 -1.228 1.00 . A A . 3 LEU HD12 1 1 3 507 1 1 3 LEU HD13 H -2.066 -3.487 -0.695 1.00 . A A . 3 LEU HD13 1 1 3 508 1 1 3 LEU HD21 H -2.531 -5.904 0.775 1.00 . A A . 3 LEU HD21 1 1 3 509 1 1 3 LEU HD22 H -3.975 -5.779 1.779 1.00 . A A . 3 LEU HD22 1 1 3 510 1 1 3 LEU HD23 H -2.630 -4.666 2.029 1.00 . A A . 3 LEU HD23 1 1 3 511 1 1 3 LEU HG H -4.747 -4.665 -0.036 1.00 . A A . 3 LEU HG 1 1 3 512 1 1 3 LEU N N -5.990 -2.401 -0.482 1.00 . A A . 3 LEU N 1 1 3 513 1 1 3 LEU O O -2.608 -1.342 -0.851 1.00 . A A . 3 LEU O 1 1 3 514 1 1 4 LYS C C -2.939 0.970 -2.869 1.00 . A A . 4 LYS C 1 1 3 515 1 1 4 LYS CA C -3.626 -0.339 -3.229 1.00 . A A . 4 LYS CA 1 1 3 516 1 1 4 LYS CB C -4.530 -0.112 -4.441 1.00 . A A . 4 LYS CB 1 1 3 517 1 1 4 LYS CD C -2.665 -0.234 -6.123 1.00 . A A . 4 LYS CD 1 1 3 518 1 1 4 LYS CE C -3.120 -1.589 -6.637 1.00 . A A . 4 LYS CE 1 1 3 519 1 1 4 LYS CG C -3.833 0.585 -5.599 1.00 . A A . 4 LYS CG 1 1 3 520 1 1 4 LYS H H -5.381 -0.879 -2.183 1.00 . A A . 4 LYS H 1 1 3 521 1 1 4 LYS HA H -2.876 -1.067 -3.481 1.00 . A A . 4 LYS HA 1 1 3 522 1 1 4 LYS HB2 H -4.896 -1.067 -4.789 1.00 . A A . 4 LYS HB2 1 1 3 523 1 1 4 LYS HB3 H -5.369 0.496 -4.135 1.00 . A A . 4 LYS HB3 1 1 3 524 1 1 4 LYS HD2 H -2.193 0.306 -6.930 1.00 . A A . 4 LYS HD2 1 1 3 525 1 1 4 LYS HD3 H -1.953 -0.381 -5.322 1.00 . A A . 4 LYS HD3 1 1 3 526 1 1 4 LYS HE2 H -3.592 -2.128 -5.828 1.00 . A A . 4 LYS HE2 1 1 3 527 1 1 4 LYS HE3 H -3.835 -1.437 -7.432 1.00 . A A . 4 LYS HE3 1 1 3 528 1 1 4 LYS HG2 H -4.544 0.736 -6.398 1.00 . A A . 4 LYS HG2 1 1 3 529 1 1 4 LYS HG3 H -3.464 1.545 -5.255 1.00 . A A . 4 LYS HG3 1 1 3 530 1 1 4 LYS HZ1 H -1.638 -3.045 -6.419 1.00 . A A . 4 LYS HZ1 1 1 3 531 1 1 4 LYS HZ2 H -1.204 -1.774 -7.448 1.00 . A A . 4 LYS HZ2 1 1 3 532 1 1 4 LYS HZ3 H -2.289 -2.959 -7.977 1.00 . A A . 4 LYS HZ3 1 1 3 533 1 1 4 LYS N N -4.406 -0.867 -2.115 1.00 . A A . 4 LYS N 1 1 3 534 1 1 4 LYS NZ N -1.983 -2.398 -7.156 1.00 . A A . 4 LYS NZ 1 1 3 535 1 1 4 LYS O O -1.945 1.353 -3.489 1.00 . A A . 4 LYS O 1 1 3 536 1 1 5 GLN C C -1.886 2.805 -0.369 1.00 . A A . 5 GLN C 1 1 3 537 1 1 5 GLN CA C -2.925 2.949 -1.481 1.00 . A A . 5 GLN CA 1 1 3 538 1 1 5 GLN CB C -4.048 3.883 -1.032 1.00 . A A . 5 GLN CB 1 1 3 539 1 1 5 GLN CD C -4.689 6.209 -0.293 1.00 . A A . 5 GLN CD 1 1 3 540 1 1 5 GLN CG C -3.561 5.274 -0.682 1.00 . A A . 5 GLN CG 1 1 3 541 1 1 5 GLN H H -4.286 1.323 -1.445 1.00 . A A . 5 GLN H 1 1 3 542 1 1 5 GLN HA H -2.444 3.380 -2.340 1.00 . A A . 5 GLN HA 1 1 3 543 1 1 5 GLN HB2 H -4.773 3.967 -1.828 1.00 . A A . 5 GLN HB2 1 1 3 544 1 1 5 GLN HB3 H -4.526 3.461 -0.161 1.00 . A A . 5 GLN HB3 1 1 3 545 1 1 5 GLN HE21 H -4.232 7.418 -1.810 1.00 . A A . 5 GLN HE21 1 1 3 546 1 1 5 GLN HE22 H -5.576 7.914 -0.816 1.00 . A A . 5 GLN HE22 1 1 3 547 1 1 5 GLN HG2 H -2.874 5.199 0.147 1.00 . A A . 5 GLN HG2 1 1 3 548 1 1 5 GLN HG3 H -3.050 5.682 -1.541 1.00 . A A . 5 GLN HG3 1 1 3 549 1 1 5 GLN N N -3.483 1.668 -1.890 1.00 . A A . 5 GLN N 1 1 3 550 1 1 5 GLN NE2 N -4.849 7.288 -1.050 1.00 . A A . 5 GLN NE2 1 1 3 551 1 1 5 GLN O O -1.247 3.782 0.024 1.00 . A A . 5 GLN O 1 1 3 552 1 1 5 GLN OE1 O -5.410 5.963 0.675 1.00 . A A . 5 GLN OE1 1 1 3 553 1 1 6 TYR C C 0.597 0.943 0.776 1.00 . A A . 6 TYR C 1 1 3 554 1 1 6 TYR CA C -0.800 1.348 1.248 1.00 . A A . 6 TYR CA 1 1 3 555 1 1 6 TYR CB C -1.397 0.300 2.172 1.00 . A A . 6 TYR CB 1 1 3 556 1 1 6 TYR CD1 C -2.592 1.520 4.030 1.00 . A A . 6 TYR CD1 1 1 3 557 1 1 6 TYR CD2 C -3.891 0.586 2.269 1.00 . A A . 6 TYR CD2 1 1 3 558 1 1 6 TYR CE1 C -3.741 2.003 4.629 1.00 . A A . 6 TYR CE1 1 1 3 559 1 1 6 TYR CE2 C -5.046 1.063 2.858 1.00 . A A . 6 TYR CE2 1 1 3 560 1 1 6 TYR CG C -2.651 0.799 2.846 1.00 . A A . 6 TYR CG 1 1 3 561 1 1 6 TYR CZ C -4.965 1.769 4.040 1.00 . A A . 6 TYR CZ 1 1 3 562 1 1 6 TYR H H -2.289 0.859 -0.179 1.00 . A A . 6 TYR H 1 1 3 563 1 1 6 TYR HA H -0.710 2.269 1.802 1.00 . A A . 6 TYR HA 1 1 3 564 1 1 6 TYR HB2 H -1.646 -0.582 1.601 1.00 . A A . 6 TYR HB2 1 1 3 565 1 1 6 TYR HB3 H -0.681 0.046 2.939 1.00 . A A . 6 TYR HB3 1 1 3 566 1 1 6 TYR HD1 H -1.631 1.695 4.491 1.00 . A A . 6 TYR HD1 1 1 3 567 1 1 6 TYR HD2 H -3.943 0.043 1.339 1.00 . A A . 6 TYR HD2 1 1 3 568 1 1 6 TYR HE1 H -3.675 2.563 5.549 1.00 . A A . 6 TYR HE1 1 1 3 569 1 1 6 TYR HE2 H -6.003 0.880 2.395 1.00 . A A . 6 TYR HE2 1 1 3 570 1 1 6 TYR HH H -6.663 2.668 3.968 1.00 . A A . 6 TYR HH 1 1 3 571 1 1 6 TYR N N -1.738 1.598 0.156 1.00 . A A . 6 TYR N 1 1 3 572 1 1 6 TYR O O 1.524 0.884 1.582 1.00 . A A . 6 TYR O 1 1 3 573 1 1 6 TYR OH O -6.113 2.247 4.631 1.00 . A A . 6 TYR OH 1 1 3 574 1 1 7 TRP C C 3.005 1.472 -1.078 1.00 . A A . 7 TRP C 1 1 3 575 1 1 7 TRP CA C 2.049 0.285 -1.056 1.00 . A A . 7 TRP CA 1 1 3 576 1 1 7 TRP CB C 1.881 -0.269 -2.463 1.00 . A A . 7 TRP CB 1 1 3 577 1 1 7 TRP CD1 C -0.485 -1.249 -2.532 1.00 . A A . 7 TRP CD1 1 1 3 578 1 1 7 TRP CD2 C 1.153 -2.749 -2.605 1.00 . A A . 7 TRP CD2 1 1 3 579 1 1 7 TRP CE2 C -0.070 -3.435 -2.669 1.00 . A A . 7 TRP CE2 1 1 3 580 1 1 7 TRP CE3 C 2.333 -3.460 -2.623 1.00 . A A . 7 TRP CE3 1 1 3 581 1 1 7 TRP CG C 0.870 -1.364 -2.548 1.00 . A A . 7 TRP CG 1 1 3 582 1 1 7 TRP CH2 C 1.053 -5.510 -2.767 1.00 . A A . 7 TRP CH2 1 1 3 583 1 1 7 TRP CZ2 C -0.133 -4.824 -2.753 1.00 . A A . 7 TRP CZ2 1 1 3 584 1 1 7 TRP CZ3 C 2.282 -4.840 -2.700 1.00 . A A . 7 TRP CZ3 1 1 3 585 1 1 7 TRP H H 0.002 0.721 -1.116 1.00 . A A . 7 TRP H 1 1 3 586 1 1 7 TRP HA H 2.460 -0.478 -0.419 1.00 . A A . 7 TRP HA 1 1 3 587 1 1 7 TRP HB2 H 1.569 0.526 -3.123 1.00 . A A . 7 TRP HB2 1 1 3 588 1 1 7 TRP HB3 H 2.829 -0.663 -2.803 1.00 . A A . 7 TRP HB3 1 1 3 589 1 1 7 TRP HD1 H -1.011 -0.312 -2.478 1.00 . A A . 7 TRP HD1 1 1 3 590 1 1 7 TRP HE1 H -2.026 -2.674 -2.665 1.00 . A A . 7 TRP HE1 1 1 3 591 1 1 7 TRP HE3 H 3.274 -2.942 -2.565 1.00 . A A . 7 TRP HE3 1 1 3 592 1 1 7 TRP HH2 H 1.055 -6.590 -2.826 1.00 . A A . 7 TRP HH2 1 1 3 593 1 1 7 TRP HZ2 H -1.075 -5.353 -2.805 1.00 . A A . 7 TRP HZ2 1 1 3 594 1 1 7 TRP HZ3 H 3.198 -5.413 -2.714 1.00 . A A . 7 TRP HZ3 1 1 3 595 1 1 7 TRP N N 0.758 0.669 -0.515 1.00 . A A . 7 TRP N 1 1 3 596 1 1 7 TRP NE1 N -1.063 -2.493 -2.632 1.00 . A A . 7 TRP NE1 1 1 3 597 1 1 7 TRP O O 3.598 1.794 -2.108 1.00 . A A . 7 TRP O 1 1 3 598 1 1 8 TRP C C 5.478 2.872 0.067 1.00 . A A . 8 TRP C 1 1 3 599 1 1 8 TRP CA C 4.009 3.269 0.213 1.00 . A A . 8 TRP CA 1 1 3 600 1 1 8 TRP CB C 3.759 3.908 1.578 1.00 . A A . 8 TRP CB 1 1 3 601 1 1 8 TRP CD1 C 4.471 6.319 1.068 1.00 . A A . 8 TRP CD1 1 1 3 602 1 1 8 TRP CD2 C 5.472 5.415 2.856 1.00 . A A . 8 TRP CD2 1 1 3 603 1 1 8 TRP CE2 C 5.953 6.728 2.690 1.00 . A A . 8 TRP CE2 1 1 3 604 1 1 8 TRP CE3 C 5.957 4.647 3.916 1.00 . A A . 8 TRP CE3 1 1 3 605 1 1 8 TRP CG C 4.529 5.172 1.807 1.00 . A A . 8 TRP CG 1 1 3 606 1 1 8 TRP CH2 C 7.354 6.509 4.579 1.00 . A A . 8 TRP CH2 1 1 3 607 1 1 8 TRP CZ2 C 6.896 7.286 3.547 1.00 . A A . 8 TRP CZ2 1 1 3 608 1 1 8 TRP CZ3 C 6.892 5.201 4.766 1.00 . A A . 8 TRP CZ3 1 1 3 609 1 1 8 TRP H H 2.632 1.802 0.840 1.00 . A A . 8 TRP H 1 1 3 610 1 1 8 TRP HA H 3.757 3.978 -0.559 1.00 . A A . 8 TRP HA 1 1 3 611 1 1 8 TRP HB2 H 2.709 4.133 1.669 1.00 . A A . 8 TRP HB2 1 1 3 612 1 1 8 TRP HB3 H 4.037 3.204 2.350 1.00 . A A . 8 TRP HB3 1 1 3 613 1 1 8 TRP HD1 H 3.843 6.453 0.201 1.00 . A A . 8 TRP HD1 1 1 3 614 1 1 8 TRP HE1 H 5.465 8.162 1.238 1.00 . A A . 8 TRP HE1 1 1 3 615 1 1 8 TRP HE3 H 5.610 3.639 4.077 1.00 . A A . 8 TRP HE3 1 1 3 616 1 1 8 TRP HH2 H 8.089 6.898 5.265 1.00 . A A . 8 TRP HH2 1 1 3 617 1 1 8 TRP HZ2 H 7.263 8.294 3.417 1.00 . A A . 8 TRP HZ2 1 1 3 618 1 1 8 TRP HZ3 H 7.280 4.623 5.590 1.00 . A A . 8 TRP HZ3 1 1 3 619 1 1 8 TRP N N 3.139 2.114 0.067 1.00 . A A . 8 TRP N 1 1 3 620 1 1 8 TRP NE1 N 5.328 7.260 1.592 1.00 . A A . 8 TRP NE1 1 1 3 621 1 1 8 TRP O O 6.280 3.633 -0.472 1.00 . A A . 8 TRP O 1 1 3 622 1 1 9 ARG C C 7.462 0.097 1.576 1.00 . A A . 9 ARG C 1 1 3 623 1 1 9 ARG CA C 7.166 1.109 0.460 1.00 . A A . 9 ARG CA 1 1 3 624 1 1 9 ARG CB C 8.254 2.194 0.443 1.00 . A A . 9 ARG CB 1 1 3 625 1 1 9 ARG CD C 9.324 4.192 1.519 1.00 . A A . 9 ARG CD 1 1 3 626 1 1 9 ARG CG C 8.169 3.202 1.577 1.00 . A A . 9 ARG CG 1 1 3 627 1 1 9 ARG CZ C 8.554 5.565 -0.387 1.00 . A A . 9 ARG CZ 1 1 3 628 1 1 9 ARG H H 5.101 1.111 0.924 1.00 . A A . 9 ARG H 1 1 3 629 1 1 9 ARG HA H 7.216 0.576 -0.469 1.00 . A A . 9 ARG HA 1 1 3 630 1 1 9 ARG HB2 H 9.219 1.713 0.499 1.00 . A A . 9 ARG HB2 1 1 3 631 1 1 9 ARG HB3 H 8.193 2.732 -0.492 1.00 . A A . 9 ARG HB3 1 1 3 632 1 1 9 ARG HD2 H 9.148 4.973 2.243 1.00 . A A . 9 ARG HD2 1 1 3 633 1 1 9 ARG HD3 H 10.238 3.672 1.770 1.00 . A A . 9 ARG HD3 1 1 3 634 1 1 9 ARG HE H 10.307 4.622 -0.289 1.00 . A A . 9 ARG HE 1 1 3 635 1 1 9 ARG HG2 H 7.237 3.737 1.505 1.00 . A A . 9 ARG HG2 1 1 3 636 1 1 9 ARG HG3 H 8.211 2.677 2.520 1.00 . A A . 9 ARG HG3 1 1 3 637 1 1 9 ARG HH11 H 7.261 5.492 1.157 1.00 . A A . 9 ARG HH11 1 1 3 638 1 1 9 ARG HH12 H 6.735 6.422 -0.201 1.00 . A A . 9 ARG HH12 1 1 3 639 1 1 9 ARG HH21 H 9.625 5.849 -2.077 1.00 . A A . 9 ARG HH21 1 1 3 640 1 1 9 ARG HH22 H 8.077 6.627 -2.039 1.00 . A A . 9 ARG HH22 1 1 3 641 1 1 9 ARG N N 5.805 1.662 0.535 1.00 . A A . 9 ARG N 1 1 3 642 1 1 9 ARG NE N 9.474 4.801 0.195 1.00 . A A . 9 ARG NE 1 1 3 643 1 1 9 ARG NH1 N 7.423 5.849 0.241 1.00 . A A . 9 ARG NH1 1 1 3 644 1 1 9 ARG NH2 N 8.770 6.052 -1.600 1.00 . A A . 9 ARG NH2 1 1 3 645 1 1 9 ARG O O 8.222 -0.846 1.361 1.00 . A A . 9 ARG O 1 1 3 646 1 1 10 PRO C C 6.179 -1.850 3.871 1.00 . A A . 10 PRO C 1 1 3 647 1 1 10 PRO CA C 7.126 -0.657 3.891 1.00 . A A . 10 PRO CA 1 1 3 648 1 1 10 PRO CB C 6.870 0.220 5.109 1.00 . A A . 10 PRO CB 1 1 3 649 1 1 10 PRO CD C 5.967 1.342 3.172 1.00 . A A . 10 PRO CD 1 1 3 650 1 1 10 PRO CG C 5.812 1.173 4.667 1.00 . A A . 10 PRO CG 1 1 3 651 1 1 10 PRO HA H 8.145 -1.009 3.900 1.00 . A A . 10 PRO HA 1 1 3 652 1 1 10 PRO HB2 H 6.534 -0.393 5.933 1.00 . A A . 10 PRO HB2 1 1 3 653 1 1 10 PRO HB3 H 7.777 0.737 5.383 1.00 . A A . 10 PRO HB3 1 1 3 654 1 1 10 PRO HD2 H 5.014 1.219 2.686 1.00 . A A . 10 PRO HD2 1 1 3 655 1 1 10 PRO HD3 H 6.384 2.305 2.936 1.00 . A A . 10 PRO HD3 1 1 3 656 1 1 10 PRO HG2 H 4.839 0.765 4.894 1.00 . A A . 10 PRO HG2 1 1 3 657 1 1 10 PRO HG3 H 5.945 2.121 5.166 1.00 . A A . 10 PRO HG3 1 1 3 658 1 1 10 PRO N N 6.886 0.262 2.782 1.00 . A A . 10 PRO N 1 1 3 659 1 1 10 PRO O O 6.450 -2.880 4.485 1.00 . A A . 10 PRO O 1 1 3 660 1 1 11 SER C C 4.597 -3.885 2.111 1.00 . A A . 11 SER C 1 1 3 661 1 1 11 SER CA C 4.093 -2.780 3.041 1.00 . A A . 11 SER CA 1 1 3 662 1 1 11 SER CB C 2.761 -2.232 2.525 1.00 . A A . 11 SER CB 1 1 3 663 1 1 11 SER H H 4.912 -0.867 2.675 1.00 . A A . 11 SER H 1 1 3 664 1 1 11 SER HA H 3.943 -3.195 4.026 1.00 . A A . 11 SER HA 1 1 3 665 1 1 11 SER HB2 H 2.391 -1.484 3.213 1.00 . A A . 11 SER HB2 1 1 3 666 1 1 11 SER HB3 H 2.910 -1.784 1.554 1.00 . A A . 11 SER HB3 1 1 3 667 1 1 11 SER HG H 1.273 -3.303 3.216 1.00 . A A . 11 SER HG 1 1 3 668 1 1 11 SER N N 5.071 -1.708 3.150 1.00 . A A . 11 SER N 1 1 3 669 1 1 11 SER O O 3.936 -4.910 1.938 1.00 . A A . 11 SER O 1 1 3 670 1 1 11 SER OG O 1.794 -3.261 2.410 1.00 . A A . 11 SER OG 1 1 3 671 1 1 12 ILE C C 7.856 -4.785 0.841 1.00 . A A . 12 ILE C 1 1 3 672 1 1 12 ILE CA C 6.354 -4.650 0.605 1.00 . A A . 12 ILE CA 1 1 3 673 1 1 12 ILE CB C 6.105 -4.268 -0.869 1.00 . A A . 12 ILE CB 1 1 3 674 1 1 12 ILE CD1 C 6.132 -6.705 -1.609 1.00 . A A . 12 ILE CD1 1 1 3 675 1 1 12 ILE CG1 C 6.704 -5.318 -1.808 1.00 . A A . 12 ILE CG1 1 1 3 676 1 1 12 ILE CG2 C 6.685 -2.894 -1.165 1.00 . A A . 12 ILE CG2 1 1 3 677 1 1 12 ILE H H 6.253 -2.835 1.688 1.00 . A A . 12 ILE H 1 1 3 678 1 1 12 ILE HA H 5.882 -5.603 0.793 1.00 . A A . 12 ILE HA 1 1 3 679 1 1 12 ILE HB H 5.038 -4.221 -1.029 1.00 . A A . 12 ILE HB 1 1 3 680 1 1 12 ILE HD11 H 6.623 -7.396 -2.277 1.00 . A A . 12 ILE HD11 1 1 3 681 1 1 12 ILE HD12 H 5.074 -6.690 -1.822 1.00 . A A . 12 ILE HD12 1 1 3 682 1 1 12 ILE HD13 H 6.290 -7.017 -0.587 1.00 . A A . 12 ILE HD13 1 1 3 683 1 1 12 ILE HG12 H 6.518 -5.026 -2.830 1.00 . A A . 12 ILE HG12 1 1 3 684 1 1 12 ILE HG13 H 7.772 -5.372 -1.642 1.00 . A A . 12 ILE HG13 1 1 3 685 1 1 12 ILE HG21 H 6.286 -2.175 -0.465 1.00 . A A . 12 ILE HG21 1 1 3 686 1 1 12 ILE HG22 H 6.423 -2.601 -2.171 1.00 . A A . 12 ILE HG22 1 1 3 687 1 1 12 ILE HG23 H 7.761 -2.929 -1.071 1.00 . A A . 12 ILE HG23 1 1 3 688 1 1 12 ILE N N 5.769 -3.670 1.514 1.00 . A A . 12 ILE N 1 1 3 689 1 1 12 ILE O O 8.520 -3.742 1.022 1.00 . A A . 12 ILE O 1 1 3 690 1 1 12 ILE OXT O 8.354 -5.930 0.843 1.00 . A A . 12 ILE OXT 1 1 4 691 1 1 1 HIS C C -9.847 -0.385 -1.613 1.00 . A A . 1 HIS C 1 1 4 692 1 1 1 HIS CA C -10.850 0.325 -2.521 1.00 . A A . 1 HIS CA 1 1 4 693 1 1 1 HIS CB C -10.552 1.824 -2.561 1.00 . A A . 1 HIS CB 1 1 4 694 1 1 1 HIS CD2 C -9.724 3.157 -0.496 1.00 . A A . 1 HIS CD2 1 1 4 695 1 1 1 HIS CE1 C -11.595 3.177 0.646 1.00 . A A . 1 HIS CE1 1 1 4 696 1 1 1 HIS CG C -10.652 2.492 -1.224 1.00 . A A . 1 HIS CG 1 1 4 697 1 1 1 HIS H1 H -12.835 0.868 -2.464 1.00 . A A . 1 HIS H1 1 1 4 698 1 1 1 HIS H2 H -12.229 0.216 -0.996 1.00 . A A . 1 HIS H2 1 1 4 699 1 1 1 HIS H3 H -12.552 -0.817 -2.328 1.00 . A A . 1 HIS H3 1 1 4 700 1 1 1 HIS HA H -10.778 -0.079 -3.518 1.00 . A A . 1 HIS HA 1 1 4 701 1 1 1 HIS HB2 H -9.549 1.975 -2.933 1.00 . A A . 1 HIS HB2 1 1 4 702 1 1 1 HIS HB3 H -11.254 2.306 -3.226 1.00 . A A . 1 HIS HB3 1 1 4 703 1 1 1 HIS HD1 H -12.670 2.123 -0.741 1.00 . A A . 1 HIS HD1 1 1 4 704 1 1 1 HIS HD2 H -8.693 3.330 -0.773 1.00 . A A . 1 HIS HD2 1 1 4 705 1 1 1 HIS HE1 H -12.324 3.358 1.423 1.00 . A A . 1 HIS HE1 1 1 4 706 1 1 1 HIS HE2 H -9.892 4.018 1.412 1.00 . A A . 1 HIS HE2 1 1 4 707 1 1 1 HIS N N -12.241 0.130 -2.033 1.00 . A A . 1 HIS N 1 1 4 708 1 1 1 HIS ND1 N -11.813 2.522 -0.481 1.00 . A A . 1 HIS ND1 1 1 4 709 1 1 1 HIS NE2 N -10.336 3.572 0.661 1.00 . A A . 1 HIS NE2 1 1 4 710 1 1 1 HIS O O -9.643 0.023 -0.470 1.00 . A A . 1 HIS O 1 1 4 711 1 1 2 PRO C C -7.129 -1.367 -0.747 1.00 . A A . 2 PRO C 1 1 4 712 1 1 2 PRO CA C -8.232 -2.234 -1.324 1.00 . A A . 2 PRO CA 1 1 4 713 1 1 2 PRO CB C -7.637 -3.214 -2.348 1.00 . A A . 2 PRO CB 1 1 4 714 1 1 2 PRO CD C -9.374 -2.050 -3.434 1.00 . A A . 2 PRO CD 1 1 4 715 1 1 2 PRO CG C -8.033 -2.661 -3.670 1.00 . A A . 2 PRO CG 1 1 4 716 1 1 2 PRO HA H -8.706 -2.787 -0.528 1.00 . A A . 2 PRO HA 1 1 4 717 1 1 2 PRO HB2 H -6.563 -3.250 -2.239 1.00 . A A . 2 PRO HB2 1 1 4 718 1 1 2 PRO HB3 H -8.053 -4.199 -2.192 1.00 . A A . 2 PRO HB3 1 1 4 719 1 1 2 PRO HD2 H -9.594 -1.298 -4.175 1.00 . A A . 2 PRO HD2 1 1 4 720 1 1 2 PRO HD3 H -10.128 -2.815 -3.417 1.00 . A A . 2 PRO HD3 1 1 4 721 1 1 2 PRO HG2 H -7.325 -1.908 -3.986 1.00 . A A . 2 PRO HG2 1 1 4 722 1 1 2 PRO HG3 H -8.102 -3.452 -4.402 1.00 . A A . 2 PRO HG3 1 1 4 723 1 1 2 PRO N N -9.206 -1.466 -2.099 1.00 . A A . 2 PRO N 1 1 4 724 1 1 2 PRO O O -7.200 -0.140 -0.759 1.00 . A A . 2 PRO O 1 1 4 725 1 1 3 LEU C C -3.861 -1.089 -0.688 1.00 . A A . 3 LEU C 1 1 4 726 1 1 3 LEU CA C -4.958 -1.358 0.343 1.00 . A A . 3 LEU CA 1 1 4 727 1 1 3 LEU CB C -4.399 -2.165 1.519 1.00 . A A . 3 LEU CB 1 1 4 728 1 1 3 LEU CD1 C -2.937 -3.712 0.179 1.00 . A A . 3 LEU CD1 1 1 4 729 1 1 3 LEU CD2 C -3.643 -4.348 2.491 1.00 . A A . 3 LEU CD2 1 1 4 730 1 1 3 LEU CG C -4.046 -3.624 1.215 1.00 . A A . 3 LEU CG 1 1 4 731 1 1 3 LEU H H -6.125 -3.015 -0.287 1.00 . A A . 3 LEU H 1 1 4 732 1 1 3 LEU HA H -5.309 -0.409 0.715 1.00 . A A . 3 LEU HA 1 1 4 733 1 1 3 LEU HB2 H -3.505 -1.670 1.872 1.00 . A A . 3 LEU HB2 1 1 4 734 1 1 3 LEU HB3 H -5.132 -2.154 2.312 1.00 . A A . 3 LEU HB3 1 1 4 735 1 1 3 LEU HD11 H -2.493 -4.696 0.208 1.00 . A A . 3 LEU HD11 1 1 4 736 1 1 3 LEU HD12 H -2.182 -2.970 0.396 1.00 . A A . 3 LEU HD12 1 1 4 737 1 1 3 LEU HD13 H -3.348 -3.532 -0.804 1.00 . A A . 3 LEU HD13 1 1 4 738 1 1 3 LEU HD21 H -4.084 -3.852 3.342 1.00 . A A . 3 LEU HD21 1 1 4 739 1 1 3 LEU HD22 H -2.566 -4.337 2.586 1.00 . A A . 3 LEU HD22 1 1 4 740 1 1 3 LEU HD23 H -3.990 -5.370 2.450 1.00 . A A . 3 LEU HD23 1 1 4 741 1 1 3 LEU HG H -4.915 -4.120 0.812 1.00 . A A . 3 LEU HG 1 1 4 742 1 1 3 LEU N N -6.106 -2.036 -0.248 1.00 . A A . 3 LEU N 1 1 4 743 1 1 3 LEU O O -2.696 -0.916 -0.332 1.00 . A A . 3 LEU O 1 1 4 744 1 1 4 LYS C C -2.516 0.492 -2.806 1.00 . A A . 4 LYS C 1 1 4 745 1 1 4 LYS CA C -3.270 -0.810 -3.033 1.00 . A A . 4 LYS CA 1 1 4 746 1 1 4 LYS CB C -3.978 -0.754 -4.378 1.00 . A A . 4 LYS CB 1 1 4 747 1 1 4 LYS CD C -3.782 -3.211 -4.833 1.00 . A A . 4 LYS CD 1 1 4 748 1 1 4 LYS CE C -4.526 -4.476 -5.220 1.00 . A A . 4 LYS CE 1 1 4 749 1 1 4 LYS CG C -4.726 -2.027 -4.723 1.00 . A A . 4 LYS CG 1 1 4 750 1 1 4 LYS H H -5.173 -1.202 -2.193 1.00 . A A . 4 LYS H 1 1 4 751 1 1 4 LYS HA H -2.566 -1.623 -3.039 1.00 . A A . 4 LYS HA 1 1 4 752 1 1 4 LYS HB2 H -4.685 0.063 -4.369 1.00 . A A . 4 LYS HB2 1 1 4 753 1 1 4 LYS HB3 H -3.244 -0.576 -5.143 1.00 . A A . 4 LYS HB3 1 1 4 754 1 1 4 LYS HD2 H -3.039 -2.998 -5.587 1.00 . A A . 4 LYS HD2 1 1 4 755 1 1 4 LYS HD3 H -3.297 -3.365 -3.880 1.00 . A A . 4 LYS HD3 1 1 4 756 1 1 4 LYS HE2 H -5.275 -4.680 -4.469 1.00 . A A . 4 LYS HE2 1 1 4 757 1 1 4 LYS HE3 H -5.008 -4.315 -6.172 1.00 . A A . 4 LYS HE3 1 1 4 758 1 1 4 LYS HG2 H -5.446 -2.225 -3.943 1.00 . A A . 4 LYS HG2 1 1 4 759 1 1 4 LYS HG3 H -5.236 -1.891 -5.664 1.00 . A A . 4 LYS HG3 1 1 4 760 1 1 4 LYS HZ1 H -3.925 -6.272 -6.101 1.00 . A A . 4 LYS HZ1 1 1 4 761 1 1 4 LYS HZ2 H -3.620 -6.189 -4.438 1.00 . A A . 4 LYS HZ2 1 1 4 762 1 1 4 LYS HZ3 H -2.646 -5.330 -5.522 1.00 . A A . 4 LYS HZ3 1 1 4 763 1 1 4 LYS N N -4.232 -1.056 -1.963 1.00 . A A . 4 LYS N 1 1 4 764 1 1 4 LYS NZ N -3.615 -5.649 -5.328 1.00 . A A . 4 LYS NZ 1 1 4 765 1 1 4 LYS O O -1.378 0.652 -3.248 1.00 . A A . 4 LYS O 1 1 4 766 1 1 5 GLN C C -1.727 2.658 -0.546 1.00 . A A . 5 GLN C 1 1 4 767 1 1 5 GLN CA C -2.560 2.708 -1.825 1.00 . A A . 5 GLN CA 1 1 4 768 1 1 5 GLN CB C -3.645 3.775 -1.701 1.00 . A A . 5 GLN CB 1 1 4 769 1 1 5 GLN CD C -5.777 4.513 -0.566 1.00 . A A . 5 GLN CD 1 1 4 770 1 1 5 GLN CG C -4.731 3.424 -0.698 1.00 . A A . 5 GLN CG 1 1 4 771 1 1 5 GLN H H -4.065 1.222 -1.797 1.00 . A A . 5 GLN H 1 1 4 772 1 1 5 GLN HA H -1.912 2.964 -2.649 1.00 . A A . 5 GLN HA 1 1 4 773 1 1 5 GLN HB2 H -3.185 4.700 -1.393 1.00 . A A . 5 GLN HB2 1 1 4 774 1 1 5 GLN HB3 H -4.106 3.915 -2.667 1.00 . A A . 5 GLN HB3 1 1 4 775 1 1 5 GLN HE21 H -5.364 4.704 1.373 1.00 . A A . 5 GLN HE21 1 1 4 776 1 1 5 GLN HE22 H -6.607 5.755 0.752 1.00 . A A . 5 GLN HE22 1 1 4 777 1 1 5 GLN HG2 H -5.220 2.515 -1.020 1.00 . A A . 5 GLN HG2 1 1 4 778 1 1 5 GLN HG3 H -4.274 3.263 0.268 1.00 . A A . 5 GLN HG3 1 1 4 779 1 1 5 GLN N N -3.160 1.415 -2.117 1.00 . A A . 5 GLN N 1 1 4 780 1 1 5 GLN NE2 N -5.932 5.044 0.641 1.00 . A A . 5 GLN NE2 1 1 4 781 1 1 5 GLN O O -1.206 3.679 -0.098 1.00 . A A . 5 GLN O 1 1 4 782 1 1 5 GLN OE1 O -6.441 4.871 -1.539 1.00 . A A . 5 GLN OE1 1 1 4 783 1 1 6 TYR C C 0.643 0.978 0.949 1.00 . A A . 6 TYR C 1 1 4 784 1 1 6 TYR CA C -0.814 1.303 1.256 1.00 . A A . 6 TYR CA 1 1 4 785 1 1 6 TYR CB C -1.420 0.217 2.148 1.00 . A A . 6 TYR CB 1 1 4 786 1 1 6 TYR CD1 C -3.828 0.949 1.942 1.00 . A A . 6 TYR CD1 1 1 4 787 1 1 6 TYR CD2 C -2.931 0.630 4.127 1.00 . A A . 6 TYR CD2 1 1 4 788 1 1 6 TYR CE1 C -5.045 1.308 2.489 1.00 . A A . 6 TYR CE1 1 1 4 789 1 1 6 TYR CE2 C -4.146 0.987 4.682 1.00 . A A . 6 TYR CE2 1 1 4 790 1 1 6 TYR CG C -2.753 0.605 2.749 1.00 . A A . 6 TYR CG 1 1 4 791 1 1 6 TYR CZ C -5.199 1.325 3.859 1.00 . A A . 6 TYR CZ 1 1 4 792 1 1 6 TYR H H -2.027 0.684 -0.374 1.00 . A A . 6 TYR H 1 1 4 793 1 1 6 TYR HA H -0.846 2.241 1.787 1.00 . A A . 6 TYR HA 1 1 4 794 1 1 6 TYR HB2 H -1.567 -0.679 1.566 1.00 . A A . 6 TYR HB2 1 1 4 795 1 1 6 TYR HB3 H -0.738 0.007 2.959 1.00 . A A . 6 TYR HB3 1 1 4 796 1 1 6 TYR HD1 H -3.706 0.932 0.870 1.00 . A A . 6 TYR HD1 1 1 4 797 1 1 6 TYR HD2 H -2.104 0.366 4.769 1.00 . A A . 6 TYR HD2 1 1 4 798 1 1 6 TYR HE1 H -5.870 1.571 1.845 1.00 . A A . 6 TYR HE1 1 1 4 799 1 1 6 TYR HE2 H -4.265 1.000 5.755 1.00 . A A . 6 TYR HE2 1 1 4 800 1 1 6 TYR HH H -6.789 2.405 3.904 1.00 . A A . 6 TYR HH 1 1 4 801 1 1 6 TYR N N -1.596 1.468 0.034 1.00 . A A . 6 TYR N 1 1 4 802 1 1 6 TYR O O 1.516 1.169 1.795 1.00 . A A . 6 TYR O 1 1 4 803 1 1 6 TYR OH O -6.410 1.680 4.408 1.00 . A A . 6 TYR OH 1 1 4 804 1 1 7 TRP C C 3.090 1.365 -0.896 1.00 . A A . 7 TRP C 1 1 4 805 1 1 7 TRP CA C 2.236 0.132 -0.687 1.00 . A A . 7 TRP CA 1 1 4 806 1 1 7 TRP CB C 2.164 -0.682 -1.972 1.00 . A A . 7 TRP CB 1 1 4 807 1 1 7 TRP CD1 C -0.116 -1.866 -1.894 1.00 . A A . 7 TRP CD1 1 1 4 808 1 1 7 TRP CD2 C 1.646 -3.206 -1.685 1.00 . A A . 7 TRP CD2 1 1 4 809 1 1 7 TRP CE2 C 0.489 -3.998 -1.642 1.00 . A A . 7 TRP CE2 1 1 4 810 1 1 7 TRP CE3 C 2.882 -3.806 -1.566 1.00 . A A . 7 TRP CE3 1 1 4 811 1 1 7 TRP CG C 1.248 -1.861 -1.874 1.00 . A A . 7 TRP CG 1 1 4 812 1 1 7 TRP CH2 C 1.781 -5.953 -1.363 1.00 . A A . 7 TRP CH2 1 1 4 813 1 1 7 TRP CZ2 C 0.542 -5.381 -1.480 1.00 . A A . 7 TRP CZ2 1 1 4 814 1 1 7 TRP CZ3 C 2.949 -5.178 -1.402 1.00 . A A . 7 TRP CZ3 1 1 4 815 1 1 7 TRP H H 0.173 0.356 -0.878 1.00 . A A . 7 TRP H 1 1 4 816 1 1 7 TRP HA H 2.689 -0.460 0.086 1.00 . A A . 7 TRP HA 1 1 4 817 1 1 7 TRP HB2 H 1.811 -0.050 -2.772 1.00 . A A . 7 TRP HB2 1 1 4 818 1 1 7 TRP HB3 H 3.152 -1.045 -2.216 1.00 . A A . 7 TRP HB3 1 1 4 819 1 1 7 TRP HD1 H -0.724 -0.985 -2.013 1.00 . A A . 7 TRP HD1 1 1 4 820 1 1 7 TRP HE1 H -1.525 -3.424 -1.788 1.00 . A A . 7 TRP HE1 1 1 4 821 1 1 7 TRP HE3 H 3.776 -3.208 -1.589 1.00 . A A . 7 TRP HE3 1 1 4 822 1 1 7 TRP HH2 H 1.873 -7.022 -1.233 1.00 . A A . 7 TRP HH2 1 1 4 823 1 1 7 TRP HZ2 H -0.350 -5.988 -1.449 1.00 . A A . 7 TRP HZ2 1 1 4 824 1 1 7 TRP HZ3 H 3.908 -5.664 -1.305 1.00 . A A . 7 TRP HZ3 1 1 4 825 1 1 7 TRP N N 0.899 0.489 -0.259 1.00 . A A . 7 TRP N 1 1 4 826 1 1 7 TRP NE1 N -0.582 -3.155 -1.780 1.00 . A A . 7 TRP NE1 1 1 4 827 1 1 7 TRP O O 3.686 1.561 -1.957 1.00 . A A . 7 TRP O 1 1 4 828 1 1 8 TRP C C 5.299 3.166 0.717 1.00 . A A . 8 TRP C 1 1 4 829 1 1 8 TRP CA C 3.935 3.398 0.089 1.00 . A A . 8 TRP CA 1 1 4 830 1 1 8 TRP CB C 3.224 4.514 0.832 1.00 . A A . 8 TRP CB 1 1 4 831 1 1 8 TRP CD1 C 3.653 6.953 1.459 1.00 . A A . 8 TRP CD1 1 1 4 832 1 1 8 TRP CD2 C 4.886 6.246 -0.270 1.00 . A A . 8 TRP CD2 1 1 4 833 1 1 8 TRP CE2 C 5.202 7.595 -0.012 1.00 . A A . 8 TRP CE2 1 1 4 834 1 1 8 TRP CE3 C 5.545 5.596 -1.323 1.00 . A A . 8 TRP CE3 1 1 4 835 1 1 8 TRP CG C 3.895 5.851 0.696 1.00 . A A . 8 TRP CG 1 1 4 836 1 1 8 TRP CH2 C 6.763 7.641 -1.782 1.00 . A A . 8 TRP CH2 1 1 4 837 1 1 8 TRP CZ2 C 6.139 8.302 -0.762 1.00 . A A . 8 TRP CZ2 1 1 4 838 1 1 8 TRP CZ3 C 6.474 6.301 -2.066 1.00 . A A . 8 TRP CZ3 1 1 4 839 1 1 8 TRP H H 2.657 1.963 0.943 1.00 . A A . 8 TRP H 1 1 4 840 1 1 8 TRP HA H 4.059 3.678 -0.943 1.00 . A A . 8 TRP HA 1 1 4 841 1 1 8 TRP HB2 H 2.219 4.593 0.450 1.00 . A A . 8 TRP HB2 1 1 4 842 1 1 8 TRP HB3 H 3.183 4.265 1.882 1.00 . A A . 8 TRP HB3 1 1 4 843 1 1 8 TRP HD1 H 2.954 6.978 2.275 1.00 . A A . 8 TRP HD1 1 1 4 844 1 1 8 TRP HE1 H 4.450 8.895 1.450 1.00 . A A . 8 TRP HE1 1 1 4 845 1 1 8 TRP HE3 H 5.341 4.565 -1.562 1.00 . A A . 8 TRP HE3 1 1 4 846 1 1 8 TRP HH2 H 7.495 8.150 -2.390 1.00 . A A . 8 TRP HH2 1 1 4 847 1 1 8 TRP HZ2 H 6.374 9.335 -0.556 1.00 . A A . 8 TRP HZ2 1 1 4 848 1 1 8 TRP HZ3 H 6.988 5.816 -2.882 1.00 . A A . 8 TRP HZ3 1 1 4 849 1 1 8 TRP N N 3.151 2.185 0.132 1.00 . A A . 8 TRP N 1 1 4 850 1 1 8 TRP NE1 N 4.440 8.001 1.049 1.00 . A A . 8 TRP NE1 1 1 4 851 1 1 8 TRP O O 5.738 3.948 1.560 1.00 . A A . 8 TRP O 1 1 4 852 1 1 9 ARG C C 7.247 0.617 1.885 1.00 . A A . 9 ARG C 1 1 4 853 1 1 9 ARG CA C 7.286 1.706 0.796 1.00 . A A . 9 ARG CA 1 1 4 854 1 1 9 ARG CB C 8.048 2.924 1.337 1.00 . A A . 9 ARG CB 1 1 4 855 1 1 9 ARG CD C 8.901 3.657 -0.913 1.00 . A A . 9 ARG CD 1 1 4 856 1 1 9 ARG CG C 8.160 4.077 0.348 1.00 . A A . 9 ARG CG 1 1 4 857 1 1 9 ARG CZ C 9.727 5.869 -1.629 1.00 . A A . 9 ARG CZ 1 1 4 858 1 1 9 ARG H H 5.525 1.507 -0.375 1.00 . A A . 9 ARG H 1 1 4 859 1 1 9 ARG HA H 7.836 1.313 -0.046 1.00 . A A . 9 ARG HA 1 1 4 860 1 1 9 ARG HB2 H 7.553 3.283 2.224 1.00 . A A . 9 ARG HB2 1 1 4 861 1 1 9 ARG HB3 H 9.049 2.613 1.602 1.00 . A A . 9 ARG HB3 1 1 4 862 1 1 9 ARG HD2 H 9.887 3.313 -0.638 1.00 . A A . 9 ARG HD2 1 1 4 863 1 1 9 ARG HD3 H 8.357 2.851 -1.384 1.00 . A A . 9 ARG HD3 1 1 4 864 1 1 9 ARG HE H 8.573 4.667 -2.726 1.00 . A A . 9 ARG HE 1 1 4 865 1 1 9 ARG HG2 H 7.167 4.408 0.077 1.00 . A A . 9 ARG HG2 1 1 4 866 1 1 9 ARG HG3 H 8.692 4.890 0.817 1.00 . A A . 9 ARG HG3 1 1 4 867 1 1 9 ARG HH11 H 10.403 5.279 0.185 1.00 . A A . 9 ARG HH11 1 1 4 868 1 1 9 ARG HH12 H 10.920 6.850 -0.326 1.00 . A A . 9 ARG HH12 1 1 4 869 1 1 9 ARG HH21 H 9.265 6.729 -3.399 1.00 . A A . 9 ARG HH21 1 1 4 870 1 1 9 ARG HH22 H 10.280 7.671 -2.359 1.00 . A A . 9 ARG HH22 1 1 4 871 1 1 9 ARG N N 5.954 2.080 0.299 1.00 . A A . 9 ARG N 1 1 4 872 1 1 9 ARG NE N 9.036 4.757 -1.868 1.00 . A A . 9 ARG NE 1 1 4 873 1 1 9 ARG NH1 N 10.405 6.011 -0.497 1.00 . A A . 9 ARG NH1 1 1 4 874 1 1 9 ARG NH2 N 9.760 6.836 -2.538 1.00 . A A . 9 ARG NH2 1 1 4 875 1 1 9 ARG O O 8.296 0.272 2.429 1.00 . A A . 9 ARG O 1 1 4 876 1 1 10 PRO C C 6.445 -2.361 2.760 1.00 . A A . 10 PRO C 1 1 4 877 1 1 10 PRO CA C 5.999 -0.995 3.273 1.00 . A A . 10 PRO CA 1 1 4 878 1 1 10 PRO CB C 4.519 -1.024 3.624 1.00 . A A . 10 PRO CB 1 1 4 879 1 1 10 PRO CD C 4.728 0.344 1.688 1.00 . A A . 10 PRO CD 1 1 4 880 1 1 10 PRO CG C 3.852 -0.692 2.342 1.00 . A A . 10 PRO CG 1 1 4 881 1 1 10 PRO HA H 6.578 -0.729 4.144 1.00 . A A . 10 PRO HA 1 1 4 882 1 1 10 PRO HB2 H 4.245 -2.008 3.976 1.00 . A A . 10 PRO HB2 1 1 4 883 1 1 10 PRO HB3 H 4.308 -0.287 4.385 1.00 . A A . 10 PRO HB3 1 1 4 884 1 1 10 PRO HD2 H 4.708 0.222 0.616 1.00 . A A . 10 PRO HD2 1 1 4 885 1 1 10 PRO HD3 H 4.408 1.335 1.965 1.00 . A A . 10 PRO HD3 1 1 4 886 1 1 10 PRO HG2 H 3.789 -1.574 1.724 1.00 . A A . 10 PRO HG2 1 1 4 887 1 1 10 PRO HG3 H 2.870 -0.290 2.532 1.00 . A A . 10 PRO HG3 1 1 4 888 1 1 10 PRO N N 6.070 0.046 2.237 1.00 . A A . 10 PRO N 1 1 4 889 1 1 10 PRO O O 6.706 -3.273 3.545 1.00 . A A . 10 PRO O 1 1 4 890 1 1 11 SER C C 8.463 -3.818 0.672 1.00 . A A . 11 SER C 1 1 4 891 1 1 11 SER CA C 6.946 -3.755 0.828 1.00 . A A . 11 SER CA 1 1 4 892 1 1 11 SER CB C 6.275 -3.926 -0.535 1.00 . A A . 11 SER CB 1 1 4 893 1 1 11 SER H H 6.311 -1.737 0.863 1.00 . A A . 11 SER H 1 1 4 894 1 1 11 SER HA H 6.629 -4.558 1.477 1.00 . A A . 11 SER HA 1 1 4 895 1 1 11 SER HB2 H 6.593 -4.860 -0.976 1.00 . A A . 11 SER HB2 1 1 4 896 1 1 11 SER HB3 H 5.204 -3.934 -0.409 1.00 . A A . 11 SER HB3 1 1 4 897 1 1 11 SER HG H 5.872 -2.280 -1.519 1.00 . A A . 11 SER HG 1 1 4 898 1 1 11 SER N N 6.532 -2.497 1.440 1.00 . A A . 11 SER N 1 1 4 899 1 1 11 SER O O 8.978 -4.531 -0.189 1.00 . A A . 11 SER O 1 1 4 900 1 1 11 SER OG O 6.623 -2.868 -1.412 1.00 . A A . 11 SER OG 1 1 4 901 1 1 12 ILE C C 11.124 -2.452 0.143 1.00 . A A . 12 ILE C 1 1 4 902 1 1 12 ILE CA C 10.632 -3.042 1.463 1.00 . A A . 12 ILE CA 1 1 4 903 1 1 12 ILE CB C 11.225 -4.456 1.639 1.00 . A A . 12 ILE CB 1 1 4 904 1 1 12 ILE CD1 C 11.152 -4.269 4.177 1.00 . A A . 12 ILE CD1 1 1 4 905 1 1 12 ILE CG1 C 10.750 -5.069 2.958 1.00 . A A . 12 ILE CG1 1 1 4 906 1 1 12 ILE CG2 C 12.746 -4.409 1.595 1.00 . A A . 12 ILE CG2 1 1 4 907 1 1 12 ILE H H 8.710 -2.518 2.173 1.00 . A A . 12 ILE H 1 1 4 908 1 1 12 ILE HA H 10.982 -2.422 2.275 1.00 . A A . 12 ILE HA 1 1 4 909 1 1 12 ILE HB H 10.884 -5.071 0.820 1.00 . A A . 12 ILE HB 1 1 4 910 1 1 12 ILE HD11 H 12.228 -4.257 4.260 1.00 . A A . 12 ILE HD11 1 1 4 911 1 1 12 ILE HD12 H 10.729 -4.723 5.062 1.00 . A A . 12 ILE HD12 1 1 4 912 1 1 12 ILE HD13 H 10.786 -3.258 4.082 1.00 . A A . 12 ILE HD13 1 1 4 913 1 1 12 ILE HG12 H 9.672 -5.136 2.948 1.00 . A A . 12 ILE HG12 1 1 4 914 1 1 12 ILE HG13 H 11.166 -6.061 3.058 1.00 . A A . 12 ILE HG13 1 1 4 915 1 1 12 ILE HG21 H 13.115 -3.854 2.446 1.00 . A A . 12 ILE HG21 1 1 4 916 1 1 12 ILE HG22 H 13.064 -3.925 0.683 1.00 . A A . 12 ILE HG22 1 1 4 917 1 1 12 ILE HG23 H 13.139 -5.415 1.624 1.00 . A A . 12 ILE HG23 1 1 4 918 1 1 12 ILE N N 9.175 -3.068 1.508 1.00 . A A . 12 ILE N 1 1 4 919 1 1 12 ILE O O 11.242 -3.216 -0.838 1.00 . A A . 12 ILE O 1 1 4 920 1 1 12 ILE OXT O 11.388 -1.232 0.103 1.00 . A A . 12 ILE OXT 1 1 5 921 1 1 1 HIS C C -9.630 -0.039 -2.780 1.00 . A A . 1 HIS C 1 1 5 922 1 1 1 HIS CA C -10.274 0.585 -4.015 1.00 . A A . 1 HIS CA 1 1 5 923 1 1 1 HIS CB C -9.226 1.360 -4.820 1.00 . A A . 1 HIS CB 1 1 5 924 1 1 1 HIS CD2 C -10.956 1.799 -6.706 1.00 . A A . 1 HIS CD2 1 1 5 925 1 1 1 HIS CE1 C -9.682 2.990 -8.036 1.00 . A A . 1 HIS CE1 1 1 5 926 1 1 1 HIS CG C -9.741 1.905 -6.117 1.00 . A A . 1 HIS CG 1 1 5 927 1 1 1 HIS H1 H -11.443 2.250 -4.363 1.00 . A A . 1 HIS H1 1 1 5 928 1 1 1 HIS H2 H -11.141 1.921 -2.710 1.00 . A A . 1 HIS H2 1 1 5 929 1 1 1 HIS H3 H -12.255 0.956 -3.587 1.00 . A A . 1 HIS H3 1 1 5 930 1 1 1 HIS HA H -10.686 -0.201 -4.632 1.00 . A A . 1 HIS HA 1 1 5 931 1 1 1 HIS HB2 H -8.872 2.191 -4.228 1.00 . A A . 1 HIS HB2 1 1 5 932 1 1 1 HIS HB3 H -8.396 0.704 -5.040 1.00 . A A . 1 HIS HB3 1 1 5 933 1 1 1 HIS HD1 H -8.030 2.908 -6.832 1.00 . A A . 1 HIS HD1 1 1 5 934 1 1 1 HIS HD2 H -11.816 1.277 -6.314 1.00 . A A . 1 HIS HD2 1 1 5 935 1 1 1 HIS HE1 H -9.336 3.578 -8.873 1.00 . A A . 1 HIS HE1 1 1 5 936 1 1 1 HIS HE2 H -11.644 2.635 -8.507 1.00 . A A . 1 HIS HE2 1 1 5 937 1 1 1 HIS N N -11.376 1.512 -3.636 1.00 . A A . 1 HIS N 1 1 5 938 1 1 1 HIS ND1 N -8.965 2.656 -6.978 1.00 . A A . 1 HIS ND1 1 1 5 939 1 1 1 HIS NE2 N -10.892 2.482 -7.896 1.00 . A A . 1 HIS NE2 1 1 5 940 1 1 1 HIS O O -9.675 0.531 -1.691 1.00 . A A . 1 HIS O 1 1 5 941 1 1 2 PRO C C -7.299 -1.107 -1.154 1.00 . A A . 2 PRO C 1 1 5 942 1 1 2 PRO CA C -8.370 -1.943 -1.835 1.00 . A A . 2 PRO CA 1 1 5 943 1 1 2 PRO CB C -7.732 -3.161 -2.526 1.00 . A A . 2 PRO CB 1 1 5 944 1 1 2 PRO CD C -8.923 -1.987 -4.184 1.00 . A A . 2 PRO CD 1 1 5 945 1 1 2 PRO CG C -7.683 -2.789 -3.965 1.00 . A A . 2 PRO CG 1 1 5 946 1 1 2 PRO HA H -9.085 -2.278 -1.099 1.00 . A A . 2 PRO HA 1 1 5 947 1 1 2 PRO HB2 H -6.742 -3.333 -2.131 1.00 . A A . 2 PRO HB2 1 1 5 948 1 1 2 PRO HB3 H -8.348 -4.034 -2.366 1.00 . A A . 2 PRO HB3 1 1 5 949 1 1 2 PRO HD2 H -8.818 -1.334 -5.038 1.00 . A A . 2 PRO HD2 1 1 5 950 1 1 2 PRO HD3 H -9.766 -2.641 -4.297 1.00 . A A . 2 PRO HD3 1 1 5 951 1 1 2 PRO HG2 H -6.803 -2.193 -4.164 1.00 . A A . 2 PRO HG2 1 1 5 952 1 1 2 PRO HG3 H -7.692 -3.676 -4.579 1.00 . A A . 2 PRO HG3 1 1 5 953 1 1 2 PRO N N -9.024 -1.229 -2.933 1.00 . A A . 2 PRO N 1 1 5 954 1 1 2 PRO O O -7.265 0.116 -1.281 1.00 . A A . 2 PRO O 1 1 5 955 1 1 3 LEU C C -4.077 -1.037 -0.588 1.00 . A A . 3 LEU C 1 1 5 956 1 1 3 LEU CA C -5.334 -1.136 0.277 1.00 . A A . 3 LEU CA 1 1 5 957 1 1 3 LEU CB C -5.027 -1.879 1.583 1.00 . A A . 3 LEU CB 1 1 5 958 1 1 3 LEU CD1 C -3.425 -3.580 0.637 1.00 . A A . 3 LEU CD1 1 1 5 959 1 1 3 LEU CD2 C -4.585 -4.024 2.807 1.00 . A A . 3 LEU CD2 1 1 5 960 1 1 3 LEU CG C -4.703 -3.370 1.437 1.00 . A A . 3 LEU CG 1 1 5 961 1 1 3 LEU H H -6.519 -2.764 -0.390 1.00 . A A . 3 LEU H 1 1 5 962 1 1 3 LEU HA H -5.662 -0.137 0.517 1.00 . A A . 3 LEU HA 1 1 5 963 1 1 3 LEU HB2 H -4.182 -1.395 2.053 1.00 . A A . 3 LEU HB2 1 1 5 964 1 1 3 LEU HB3 H -5.882 -1.783 2.233 1.00 . A A . 3 LEU HB3 1 1 5 965 1 1 3 LEU HD11 H -2.688 -2.851 0.939 1.00 . A A . 3 LEU HD11 1 1 5 966 1 1 3 LEU HD12 H -3.637 -3.463 -0.416 1.00 . A A . 3 LEU HD12 1 1 5 967 1 1 3 LEU HD13 H -3.045 -4.574 0.819 1.00 . A A . 3 LEU HD13 1 1 5 968 1 1 3 LEU HD21 H -4.426 -5.086 2.686 1.00 . A A . 3 LEU HD21 1 1 5 969 1 1 3 LEU HD22 H -5.494 -3.858 3.364 1.00 . A A . 3 LEU HD22 1 1 5 970 1 1 3 LEU HD23 H -3.751 -3.594 3.340 1.00 . A A . 3 LEU HD23 1 1 5 971 1 1 3 LEU HG H -5.509 -3.854 0.906 1.00 . A A . 3 LEU HG 1 1 5 972 1 1 3 LEU N N -6.426 -1.791 -0.436 1.00 . A A . 3 LEU N 1 1 5 973 1 1 3 LEU O O -2.969 -0.882 -0.072 1.00 . A A . 3 LEU O 1 1 5 974 1 1 4 LYS C C -2.315 0.217 -2.635 1.00 . A A . 4 LYS C 1 1 5 975 1 1 4 LYS CA C -3.130 -1.058 -2.834 1.00 . A A . 4 LYS CA 1 1 5 976 1 1 4 LYS CB C -3.641 -1.132 -4.274 1.00 . A A . 4 LYS CB 1 1 5 977 1 1 4 LYS CD C -3.099 -1.082 -6.729 1.00 . A A . 4 LYS CD 1 1 5 978 1 1 4 LYS CE C -3.828 -2.393 -6.980 1.00 . A A . 4 LYS CE 1 1 5 979 1 1 4 LYS CG C -2.542 -1.014 -5.318 1.00 . A A . 4 LYS CG 1 1 5 980 1 1 4 LYS H H -5.154 -1.257 -2.258 1.00 . A A . 4 LYS H 1 1 5 981 1 1 4 LYS HA H -2.496 -1.907 -2.643 1.00 . A A . 4 LYS HA 1 1 5 982 1 1 4 LYS HB2 H -4.142 -2.077 -4.418 1.00 . A A . 4 LYS HB2 1 1 5 983 1 1 4 LYS HB3 H -4.347 -0.331 -4.434 1.00 . A A . 4 LYS HB3 1 1 5 984 1 1 4 LYS HD2 H -3.791 -0.265 -6.873 1.00 . A A . 4 LYS HD2 1 1 5 985 1 1 4 LYS HD3 H -2.284 -0.994 -7.434 1.00 . A A . 4 LYS HD3 1 1 5 986 1 1 4 LYS HE2 H -3.136 -3.209 -6.824 1.00 . A A . 4 LYS HE2 1 1 5 987 1 1 4 LYS HE3 H -4.646 -2.475 -6.279 1.00 . A A . 4 LYS HE3 1 1 5 988 1 1 4 LYS HG2 H -2.037 -0.067 -5.186 1.00 . A A . 4 LYS HG2 1 1 5 989 1 1 4 LYS HG3 H -1.838 -1.821 -5.178 1.00 . A A . 4 LYS HG3 1 1 5 990 1 1 4 LYS HZ1 H -5.308 -2.033 -8.410 1.00 . A A . 4 LYS HZ1 1 1 5 991 1 1 4 LYS HZ2 H -4.447 -3.468 -8.662 1.00 . A A . 4 LYS HZ2 1 1 5 992 1 1 4 LYS HZ3 H -3.732 -1.979 -9.026 1.00 . A A . 4 LYS HZ3 1 1 5 993 1 1 4 LYS N N -4.252 -1.131 -1.903 1.00 . A A . 4 LYS N 1 1 5 994 1 1 4 LYS NZ N -4.366 -2.474 -8.366 1.00 . A A . 4 LYS NZ 1 1 5 995 1 1 4 LYS O O -1.141 0.280 -2.994 1.00 . A A . 4 LYS O 1 1 5 996 1 1 5 GLN C C -1.612 2.567 -0.468 1.00 . A A . 5 GLN C 1 1 5 997 1 1 5 GLN CA C -2.271 2.506 -1.845 1.00 . A A . 5 GLN CA 1 1 5 998 1 1 5 GLN CB C -3.253 3.659 -1.993 1.00 . A A . 5 GLN CB 1 1 5 999 1 1 5 GLN CD C -5.423 4.711 -1.237 1.00 . A A . 5 GLN CD 1 1 5 1000 1 1 5 GLN CG C -4.463 3.546 -1.082 1.00 . A A . 5 GLN CG 1 1 5 1001 1 1 5 GLN H H -3.883 1.132 -1.819 1.00 . A A . 5 GLN H 1 1 5 1002 1 1 5 GLN HA H -1.502 2.609 -2.596 1.00 . A A . 5 GLN HA 1 1 5 1003 1 1 5 GLN HB2 H -2.739 4.579 -1.763 1.00 . A A . 5 GLN HB2 1 1 5 1004 1 1 5 GLN HB3 H -3.598 3.692 -3.015 1.00 . A A . 5 GLN HB3 1 1 5 1005 1 1 5 GLN HE21 H -6.874 3.461 -1.791 1.00 . A A . 5 GLN HE21 1 1 5 1006 1 1 5 GLN HE22 H -7.302 5.151 -1.736 1.00 . A A . 5 GLN HE22 1 1 5 1007 1 1 5 GLN HG2 H -4.990 2.634 -1.318 1.00 . A A . 5 GLN HG2 1 1 5 1008 1 1 5 GLN HG3 H -4.124 3.512 -0.057 1.00 . A A . 5 GLN HG3 1 1 5 1009 1 1 5 GLN N N -2.944 1.235 -2.076 1.00 . A A . 5 GLN N 1 1 5 1010 1 1 5 GLN NE2 N -6.657 4.411 -1.628 1.00 . A A . 5 GLN NE2 1 1 5 1011 1 1 5 GLN O O -1.025 3.586 -0.104 1.00 . A A . 5 GLN O 1 1 5 1012 1 1 5 GLN OE1 O -5.060 5.865 -1.012 1.00 . A A . 5 GLN OE1 1 1 5 1013 1 1 6 TYR C C 0.334 1.043 1.600 1.00 . A A . 6 TYR C 1 1 5 1014 1 1 6 TYR CA C -1.129 1.458 1.633 1.00 . A A . 6 TYR CA 1 1 5 1015 1 1 6 TYR CB C -1.920 0.526 2.555 1.00 . A A . 6 TYR CB 1 1 5 1016 1 1 6 TYR CD1 C -4.237 1.252 1.860 1.00 . A A . 6 TYR CD1 1 1 5 1017 1 1 6 TYR CD2 C -3.699 1.272 4.181 1.00 . A A . 6 TYR CD2 1 1 5 1018 1 1 6 TYR CE1 C -5.508 1.712 2.146 1.00 . A A . 6 TYR CE1 1 1 5 1019 1 1 6 TYR CE2 C -4.970 1.731 4.476 1.00 . A A . 6 TYR CE2 1 1 5 1020 1 1 6 TYR CG C -3.312 1.024 2.869 1.00 . A A . 6 TYR CG 1 1 5 1021 1 1 6 TYR CZ C -5.869 1.949 3.455 1.00 . A A . 6 TYR CZ 1 1 5 1022 1 1 6 TYR H H -2.200 0.703 -0.030 1.00 . A A . 6 TYR H 1 1 5 1023 1 1 6 TYR HA H -1.185 2.456 2.024 1.00 . A A . 6 TYR HA 1 1 5 1024 1 1 6 TYR HB2 H -2.014 -0.440 2.082 1.00 . A A . 6 TYR HB2 1 1 5 1025 1 1 6 TYR HB3 H -1.386 0.416 3.487 1.00 . A A . 6 TYR HB3 1 1 5 1026 1 1 6 TYR HD1 H -3.952 1.061 0.835 1.00 . A A . 6 TYR HD1 1 1 5 1027 1 1 6 TYR HD2 H -2.992 1.100 4.979 1.00 . A A . 6 TYR HD2 1 1 5 1028 1 1 6 TYR HE1 H -6.213 1.882 1.346 1.00 . A A . 6 TYR HE1 1 1 5 1029 1 1 6 TYR HE2 H -5.252 1.916 5.502 1.00 . A A . 6 TYR HE2 1 1 5 1030 1 1 6 TYR HH H -7.490 1.917 4.490 1.00 . A A . 6 TYR HH 1 1 5 1031 1 1 6 TYR N N -1.716 1.488 0.300 1.00 . A A . 6 TYR N 1 1 5 1032 1 1 6 TYR O O 1.105 1.404 2.489 1.00 . A A . 6 TYR O 1 1 5 1033 1 1 6 TYR OH O -7.134 2.407 3.744 1.00 . A A . 6 TYR OH 1 1 5 1034 1 1 7 TRP C C 2.906 0.835 -0.375 1.00 . A A . 7 TRP C 1 1 5 1035 1 1 7 TRP CA C 2.095 -0.141 0.451 1.00 . A A . 7 TRP CA 1 1 5 1036 1 1 7 TRP CB C 2.182 -1.548 -0.121 1.00 . A A . 7 TRP CB 1 1 5 1037 1 1 7 TRP CD1 C 0.192 -1.696 -1.699 1.00 . A A . 7 TRP CD1 1 1 5 1038 1 1 7 TRP CD2 C 2.179 -1.826 -2.689 1.00 . A A . 7 TRP CD2 1 1 5 1039 1 1 7 TRP CE2 C 1.195 -1.946 -3.680 1.00 . A A . 7 TRP CE2 1 1 5 1040 1 1 7 TRP CE3 C 3.513 -1.865 -3.048 1.00 . A A . 7 TRP CE3 1 1 5 1041 1 1 7 TRP CG C 1.522 -1.696 -1.443 1.00 . A A . 7 TRP CG 1 1 5 1042 1 1 7 TRP CH2 C 2.844 -2.137 -5.360 1.00 . A A . 7 TRP CH2 1 1 5 1043 1 1 7 TRP CZ2 C 1.514 -2.103 -5.027 1.00 . A A . 7 TRP CZ2 1 1 5 1044 1 1 7 TRP CZ3 C 3.842 -2.017 -4.381 1.00 . A A . 7 TRP CZ3 1 1 5 1045 1 1 7 TRP H H 0.075 0.057 -0.112 1.00 . A A . 7 TRP H 1 1 5 1046 1 1 7 TRP HA H 2.512 -0.151 1.438 1.00 . A A . 7 TRP HA 1 1 5 1047 1 1 7 TRP HB2 H 3.221 -1.817 -0.238 1.00 . A A . 7 TRP HB2 1 1 5 1048 1 1 7 TRP HB3 H 1.711 -2.237 0.565 1.00 . A A . 7 TRP HB3 1 1 5 1049 1 1 7 TRP HD1 H -0.569 -1.597 -0.938 1.00 . A A . 7 TRP HD1 1 1 5 1050 1 1 7 TRP HE1 H -0.893 -1.927 -3.489 1.00 . A A . 7 TRP HE1 1 1 5 1051 1 1 7 TRP HE3 H 4.280 -1.764 -2.296 1.00 . A A . 7 TRP HE3 1 1 5 1052 1 1 7 TRP HH2 H 3.141 -2.255 -6.391 1.00 . A A . 7 TRP HH2 1 1 5 1053 1 1 7 TRP HZ2 H 0.755 -2.196 -5.789 1.00 . A A . 7 TRP HZ2 1 1 5 1054 1 1 7 TRP HZ3 H 4.879 -2.048 -4.681 1.00 . A A . 7 TRP HZ3 1 1 5 1055 1 1 7 TRP N N 0.719 0.298 0.577 1.00 . A A . 7 TRP N 1 1 5 1056 1 1 7 TRP NE1 N -0.021 -1.874 -3.050 1.00 . A A . 7 TRP NE1 1 1 5 1057 1 1 7 TRP O O 3.471 0.484 -1.411 1.00 . A A . 7 TRP O 1 1 5 1058 1 1 8 TRP C C 5.204 2.855 -0.467 1.00 . A A . 8 TRP C 1 1 5 1059 1 1 8 TRP CA C 3.706 3.111 -0.564 1.00 . A A . 8 TRP CA 1 1 5 1060 1 1 8 TRP CB C 3.368 4.458 0.062 1.00 . A A . 8 TRP CB 1 1 5 1061 1 1 8 TRP CD1 C 3.827 5.978 -1.950 1.00 . A A . 8 TRP CD1 1 1 5 1062 1 1 8 TRP CD2 C 4.893 6.586 -0.077 1.00 . A A . 8 TRP CD2 1 1 5 1063 1 1 8 TRP CE2 C 5.227 7.494 -1.099 1.00 . A A . 8 TRP CE2 1 1 5 1064 1 1 8 TRP CE3 C 5.445 6.769 1.194 1.00 . A A . 8 TRP CE3 1 1 5 1065 1 1 8 TRP CG C 3.997 5.622 -0.643 1.00 . A A . 8 TRP CG 1 1 5 1066 1 1 8 TRP CH2 C 6.616 8.723 0.365 1.00 . A A . 8 TRP CH2 1 1 5 1067 1 1 8 TRP CZ2 C 6.089 8.569 -0.889 1.00 . A A . 8 TRP CZ2 1 1 5 1068 1 1 8 TRP CZ3 C 6.301 7.835 1.401 1.00 . A A . 8 TRP CZ3 1 1 5 1069 1 1 8 TRP H H 2.487 2.266 0.937 1.00 . A A . 8 TRP H 1 1 5 1070 1 1 8 TRP HA H 3.415 3.120 -1.604 1.00 . A A . 8 TRP HA 1 1 5 1071 1 1 8 TRP HB2 H 2.303 4.586 0.044 1.00 . A A . 8 TRP HB2 1 1 5 1072 1 1 8 TRP HB3 H 3.709 4.464 1.086 1.00 . A A . 8 TRP HB3 1 1 5 1073 1 1 8 TRP HD1 H 3.202 5.442 -2.649 1.00 . A A . 8 TRP HD1 1 1 5 1074 1 1 8 TRP HE1 H 4.608 7.550 -3.103 1.00 . A A . 8 TRP HE1 1 1 5 1075 1 1 8 TRP HE3 H 5.215 6.096 2.005 1.00 . A A . 8 TRP HE3 1 1 5 1076 1 1 8 TRP HH2 H 7.288 9.541 0.571 1.00 . A A . 8 TRP HH2 1 1 5 1077 1 1 8 TRP HZ2 H 6.341 9.263 -1.677 1.00 . A A . 8 TRP HZ2 1 1 5 1078 1 1 8 TRP HZ3 H 6.738 7.990 2.375 1.00 . A A . 8 TRP HZ3 1 1 5 1079 1 1 8 TRP N N 2.961 2.061 0.105 1.00 . A A . 8 TRP N 1 1 5 1080 1 1 8 TRP NE1 N 4.565 7.102 -2.233 1.00 . A A . 8 TRP NE1 1 1 5 1081 1 1 8 TRP O O 5.940 3.057 -1.432 1.00 . A A . 8 TRP O 1 1 5 1082 1 1 9 ARG C C 7.373 0.955 1.822 1.00 . A A . 9 ARG C 1 1 5 1083 1 1 9 ARG CA C 7.076 2.166 0.921 1.00 . A A . 9 ARG CA 1 1 5 1084 1 1 9 ARG CB C 7.734 3.404 1.526 1.00 . A A . 9 ARG CB 1 1 5 1085 1 1 9 ARG CD C 8.486 4.397 -0.658 1.00 . A A . 9 ARG CD 1 1 5 1086 1 1 9 ARG CG C 7.690 4.623 0.618 1.00 . A A . 9 ARG CG 1 1 5 1087 1 1 9 ARG CZ C 9.050 5.610 -2.728 1.00 . A A . 9 ARG CZ 1 1 5 1088 1 1 9 ARG H H 5.020 2.297 1.448 1.00 . A A . 9 ARG H 1 1 5 1089 1 1 9 ARG HA H 7.519 1.987 -0.047 1.00 . A A . 9 ARG HA 1 1 5 1090 1 1 9 ARG HB2 H 7.228 3.648 2.448 1.00 . A A . 9 ARG HB2 1 1 5 1091 1 1 9 ARG HB3 H 8.768 3.178 1.741 1.00 . A A . 9 ARG HB3 1 1 5 1092 1 1 9 ARG HD2 H 9.515 4.202 -0.395 1.00 . A A . 9 ARG HD2 1 1 5 1093 1 1 9 ARG HD3 H 8.079 3.541 -1.174 1.00 . A A . 9 ARG HD3 1 1 5 1094 1 1 9 ARG HE H 7.919 6.333 -1.251 1.00 . A A . 9 ARG HE 1 1 5 1095 1 1 9 ARG HG2 H 6.665 4.827 0.355 1.00 . A A . 9 ARG HG2 1 1 5 1096 1 1 9 ARG HG3 H 8.105 5.469 1.146 1.00 . A A . 9 ARG HG3 1 1 5 1097 1 1 9 ARG HH11 H 9.834 3.749 -2.608 1.00 . A A . 9 ARG HH11 1 1 5 1098 1 1 9 ARG HH12 H 10.214 4.623 -4.053 1.00 . A A . 9 ARG HH12 1 1 5 1099 1 1 9 ARG HH21 H 8.421 7.483 -3.153 1.00 . A A . 9 ARG HH21 1 1 5 1100 1 1 9 ARG HH22 H 9.415 6.744 -4.362 1.00 . A A . 9 ARG HH22 1 1 5 1101 1 1 9 ARG N N 5.654 2.426 0.710 1.00 . A A . 9 ARG N 1 1 5 1102 1 1 9 ARG NE N 8.437 5.554 -1.549 1.00 . A A . 9 ARG NE 1 1 5 1103 1 1 9 ARG NH1 N 9.758 4.575 -3.166 1.00 . A A . 9 ARG NH1 1 1 5 1104 1 1 9 ARG NH2 N 8.953 6.702 -3.475 1.00 . A A . 9 ARG NH2 1 1 5 1105 1 1 9 ARG O O 8.495 0.834 2.314 1.00 . A A . 9 ARG O 1 1 5 1106 1 1 10 PRO C C 7.661 -2.111 2.274 1.00 . A A . 10 PRO C 1 1 5 1107 1 1 10 PRO CA C 6.681 -1.136 2.913 1.00 . A A . 10 PRO CA 1 1 5 1108 1 1 10 PRO CB C 5.308 -1.786 3.047 1.00 . A A . 10 PRO CB 1 1 5 1109 1 1 10 PRO CD C 5.031 0.022 1.550 1.00 . A A . 10 PRO CD 1 1 5 1110 1 1 10 PRO CG C 4.613 -1.400 1.795 1.00 . A A . 10 PRO CG 1 1 5 1111 1 1 10 PRO HA H 7.048 -0.847 3.885 1.00 . A A . 10 PRO HA 1 1 5 1112 1 1 10 PRO HB2 H 5.416 -2.856 3.133 1.00 . A A . 10 PRO HB2 1 1 5 1113 1 1 10 PRO HB3 H 4.804 -1.391 3.916 1.00 . A A . 10 PRO HB3 1 1 5 1114 1 1 10 PRO HD2 H 4.997 0.264 0.497 1.00 . A A . 10 PRO HD2 1 1 5 1115 1 1 10 PRO HD3 H 4.407 0.694 2.117 1.00 . A A . 10 PRO HD3 1 1 5 1116 1 1 10 PRO HG2 H 4.932 -2.036 0.981 1.00 . A A . 10 PRO HG2 1 1 5 1117 1 1 10 PRO HG3 H 3.547 -1.463 1.932 1.00 . A A . 10 PRO HG3 1 1 5 1118 1 1 10 PRO N N 6.418 0.033 2.062 1.00 . A A . 10 PRO N 1 1 5 1119 1 1 10 PRO O O 8.290 -2.915 2.963 1.00 . A A . 10 PRO O 1 1 5 1120 1 1 11 SER C C 10.152 -2.664 0.637 1.00 . A A . 11 SER C 1 1 5 1121 1 1 11 SER CA C 8.700 -2.906 0.226 1.00 . A A . 11 SER CA 1 1 5 1122 1 1 11 SER CB C 8.543 -2.692 -1.282 1.00 . A A . 11 SER CB 1 1 5 1123 1 1 11 SER H H 7.265 -1.370 0.460 1.00 . A A . 11 SER H 1 1 5 1124 1 1 11 SER HA H 8.438 -3.926 0.462 1.00 . A A . 11 SER HA 1 1 5 1125 1 1 11 SER HB2 H 7.526 -2.911 -1.570 1.00 . A A . 11 SER HB2 1 1 5 1126 1 1 11 SER HB3 H 8.771 -1.665 -1.523 1.00 . A A . 11 SER HB3 1 1 5 1127 1 1 11 SER HG H 8.902 -4.114 -2.580 1.00 . A A . 11 SER HG 1 1 5 1128 1 1 11 SER N N 7.792 -2.032 0.956 1.00 . A A . 11 SER N 1 1 5 1129 1 1 11 SER O O 11.039 -3.442 0.290 1.00 . A A . 11 SER O 1 1 5 1130 1 1 11 SER OG O 9.416 -3.537 -2.010 1.00 . A A . 11 SER OG 1 1 5 1131 1 1 12 ILE C C 11.714 -0.635 3.223 1.00 . A A . 12 ILE C 1 1 5 1132 1 1 12 ILE CA C 11.738 -1.253 1.830 1.00 . A A . 12 ILE CA 1 1 5 1133 1 1 12 ILE CB C 12.433 -0.280 0.858 1.00 . A A . 12 ILE CB 1 1 5 1134 1 1 12 ILE CD1 C 12.254 2.027 -0.204 1.00 . A A . 12 ILE CD1 1 1 5 1135 1 1 12 ILE CG1 C 11.635 1.020 0.741 1.00 . A A . 12 ILE CG1 1 1 5 1136 1 1 12 ILE CG2 C 12.605 -0.928 -0.509 1.00 . A A . 12 ILE CG2 1 1 5 1137 1 1 12 ILE H H 9.648 -0.994 1.631 1.00 . A A . 12 ILE H 1 1 5 1138 1 1 12 ILE HA H 12.311 -2.168 1.863 1.00 . A A . 12 ILE HA 1 1 5 1139 1 1 12 ILE HB H 13.415 -0.057 1.249 1.00 . A A . 12 ILE HB 1 1 5 1140 1 1 12 ILE HD11 H 11.543 2.813 -0.411 1.00 . A A . 12 ILE HD11 1 1 5 1141 1 1 12 ILE HD12 H 12.525 1.535 -1.127 1.00 . A A . 12 ILE HD12 1 1 5 1142 1 1 12 ILE HD13 H 13.137 2.452 0.250 1.00 . A A . 12 ILE HD13 1 1 5 1143 1 1 12 ILE HG12 H 10.642 0.795 0.380 1.00 . A A . 12 ILE HG12 1 1 5 1144 1 1 12 ILE HG13 H 11.561 1.479 1.716 1.00 . A A . 12 ILE HG13 1 1 5 1145 1 1 12 ILE HG21 H 13.540 -0.607 -0.944 1.00 . A A . 12 ILE HG21 1 1 5 1146 1 1 12 ILE HG22 H 11.790 -0.634 -1.152 1.00 . A A . 12 ILE HG22 1 1 5 1147 1 1 12 ILE HG23 H 12.610 -2.002 -0.399 1.00 . A A . 12 ILE HG23 1 1 5 1148 1 1 12 ILE N N 10.391 -1.582 1.380 1.00 . A A . 12 ILE N 1 1 5 1149 1 1 12 ILE O O 12.549 -1.035 4.063 1.00 . A A . 12 ILE O 1 1 5 1150 1 1 12 ILE OXT O 10.862 0.246 3.465 1.00 . A A . 12 ILE OXT 1 1 6 1151 1 1 1 HIS C C -9.890 -0.189 -1.423 1.00 . A A . 1 HIS C 1 1 6 1152 1 1 1 HIS CA C -10.886 0.682 -2.187 1.00 . A A . 1 HIS CA 1 1 6 1153 1 1 1 HIS CB C -11.153 1.982 -1.421 1.00 . A A . 1 HIS CB 1 1 6 1154 1 1 1 HIS CD2 C -12.130 0.644 0.582 1.00 . A A . 1 HIS CD2 1 1 6 1155 1 1 1 HIS CE1 C -12.627 2.338 1.882 1.00 . A A . 1 HIS CE1 1 1 6 1156 1 1 1 HIS CG C -11.774 1.776 -0.073 1.00 . A A . 1 HIS CG 1 1 6 1157 1 1 1 HIS H1 H -12.275 -0.743 -1.647 1.00 . A A . 1 HIS H1 1 1 6 1158 1 1 1 HIS H2 H -12.144 -0.475 -3.337 1.00 . A A . 1 HIS H2 1 1 6 1159 1 1 1 HIS H3 H -12.943 0.673 -2.344 1.00 . A A . 1 HIS H3 1 1 6 1160 1 1 1 HIS HA H -10.469 0.922 -3.154 1.00 . A A . 1 HIS HA 1 1 6 1161 1 1 1 HIS HB2 H -10.218 2.503 -1.277 1.00 . A A . 1 HIS HB2 1 1 6 1162 1 1 1 HIS HB3 H -11.818 2.602 -2.003 1.00 . A A . 1 HIS HB3 1 1 6 1163 1 1 1 HIS HD1 H -11.964 3.771 0.581 1.00 . A A . 1 HIS HD1 1 1 6 1164 1 1 1 HIS HD2 H -12.015 -0.368 0.220 1.00 . A A . 1 HIS HD2 1 1 6 1165 1 1 1 HIS HE1 H -12.975 2.922 2.720 1.00 . A A . 1 HIS HE1 1 1 6 1166 1 1 1 HIS HE2 H -12.899 0.412 2.521 1.00 . A A . 1 HIS HE2 1 1 6 1167 1 1 1 HIS N N -12.178 -0.029 -2.397 1.00 . A A . 1 HIS N 1 1 6 1168 1 1 1 HIS ND1 N -12.101 2.819 0.769 1.00 . A A . 1 HIS ND1 1 1 6 1169 1 1 1 HIS NE2 N -12.658 1.021 1.792 1.00 . A A . 1 HIS NE2 1 1 6 1170 1 1 1 HIS O O -9.633 0.039 -0.241 1.00 . A A . 1 HIS O 1 1 6 1171 1 1 2 PRO C C -7.194 -1.400 -0.824 1.00 . A A . 2 PRO C 1 1 6 1172 1 1 2 PRO CA C -8.351 -2.123 -1.487 1.00 . A A . 2 PRO CA 1 1 6 1173 1 1 2 PRO CB C -7.836 -2.945 -2.680 1.00 . A A . 2 PRO CB 1 1 6 1174 1 1 2 PRO CD C -9.562 -1.560 -3.490 1.00 . A A . 2 PRO CD 1 1 6 1175 1 1 2 PRO CG C -8.258 -2.173 -3.881 1.00 . A A . 2 PRO CG 1 1 6 1176 1 1 2 PRO HA H -8.821 -2.778 -0.772 1.00 . A A . 2 PRO HA 1 1 6 1177 1 1 2 PRO HB2 H -6.760 -3.034 -2.626 1.00 . A A . 2 PRO HB2 1 1 6 1178 1 1 2 PRO HB3 H -8.285 -3.927 -2.667 1.00 . A A . 2 PRO HB3 1 1 6 1179 1 1 2 PRO HD2 H -9.778 -0.690 -4.091 1.00 . A A . 2 PRO HD2 1 1 6 1180 1 1 2 PRO HD3 H -10.347 -2.289 -3.563 1.00 . A A . 2 PRO HD3 1 1 6 1181 1 1 2 PRO HG2 H -7.530 -1.406 -4.104 1.00 . A A . 2 PRO HG2 1 1 6 1182 1 1 2 PRO HG3 H -8.387 -2.834 -4.725 1.00 . A A . 2 PRO HG3 1 1 6 1183 1 1 2 PRO N N -9.319 -1.206 -2.092 1.00 . A A . 2 PRO N 1 1 6 1184 1 1 2 PRO O O -7.237 -0.191 -0.596 1.00 . A A . 2 PRO O 1 1 6 1185 1 1 3 LEU C C -3.929 -1.162 -0.913 1.00 . A A . 3 LEU C 1 1 6 1186 1 1 3 LEU CA C -4.965 -1.618 0.112 1.00 . A A . 3 LEU CA 1 1 6 1187 1 1 3 LEU CB C -4.348 -2.643 1.071 1.00 . A A . 3 LEU CB 1 1 6 1188 1 1 3 LEU CD1 C -3.014 -3.912 -0.642 1.00 . A A . 3 LEU CD1 1 1 6 1189 1 1 3 LEU CD2 C -3.573 -4.978 1.548 1.00 . A A . 3 LEU CD2 1 1 6 1190 1 1 3 LEU CG C -4.047 -4.018 0.467 1.00 . A A . 3 LEU CG 1 1 6 1191 1 1 3 LEU H H -6.201 -3.115 -0.746 1.00 . A A . 3 LEU H 1 1 6 1192 1 1 3 LEU HA H -5.276 -0.760 0.684 1.00 . A A . 3 LEU HA 1 1 6 1193 1 1 3 LEU HB2 H -3.421 -2.231 1.448 1.00 . A A . 3 LEU HB2 1 1 6 1194 1 1 3 LEU HB3 H -5.024 -2.779 1.902 1.00 . A A . 3 LEU HB3 1 1 6 1195 1 1 3 LEU HD11 H -2.229 -3.235 -0.339 1.00 . A A . 3 LEU HD11 1 1 6 1196 1 1 3 LEU HD12 H -3.485 -3.538 -1.539 1.00 . A A . 3 LEU HD12 1 1 6 1197 1 1 3 LEU HD13 H -2.594 -4.888 -0.838 1.00 . A A . 3 LEU HD13 1 1 6 1198 1 1 3 LEU HD21 H -3.946 -5.970 1.336 1.00 . A A . 3 LEU HD21 1 1 6 1199 1 1 3 LEU HD22 H -3.944 -4.652 2.507 1.00 . A A . 3 LEU HD22 1 1 6 1200 1 1 3 LEU HD23 H -2.493 -4.996 1.565 1.00 . A A . 3 LEU HD23 1 1 6 1201 1 1 3 LEU HG H -4.953 -4.419 0.039 1.00 . A A . 3 LEU HG 1 1 6 1202 1 1 3 LEU N N -6.159 -2.162 -0.524 1.00 . A A . 3 LEU N 1 1 6 1203 1 1 3 LEU O O -2.740 -1.075 -0.607 1.00 . A A . 3 LEU O 1 1 6 1204 1 1 4 LYS C C -2.715 0.824 -2.757 1.00 . A A . 4 LYS C 1 1 6 1205 1 1 4 LYS CA C -3.479 -0.420 -3.185 1.00 . A A . 4 LYS CA 1 1 6 1206 1 1 4 LYS CB C -4.263 -0.115 -4.455 1.00 . A A . 4 LYS CB 1 1 6 1207 1 1 4 LYS CD C -4.273 -2.355 -5.672 1.00 . A A . 4 LYS CD 1 1 6 1208 1 1 4 LYS CE C -3.325 -3.072 -4.722 1.00 . A A . 4 LYS CE 1 1 6 1209 1 1 4 LYS CG C -5.101 -1.275 -4.979 1.00 . A A . 4 LYS CG 1 1 6 1210 1 1 4 LYS H H -5.336 -0.953 -2.320 1.00 . A A . 4 LYS H 1 1 6 1211 1 1 4 LYS HA H -2.775 -1.204 -3.376 1.00 . A A . 4 LYS HA 1 1 6 1212 1 1 4 LYS HB2 H -4.925 0.716 -4.262 1.00 . A A . 4 LYS HB2 1 1 6 1213 1 1 4 LYS HB3 H -3.562 0.171 -5.222 1.00 . A A . 4 LYS HB3 1 1 6 1214 1 1 4 LYS HD2 H -4.942 -3.083 -6.101 1.00 . A A . 4 LYS HD2 1 1 6 1215 1 1 4 LYS HD3 H -3.695 -1.895 -6.459 1.00 . A A . 4 LYS HD3 1 1 6 1216 1 1 4 LYS HE2 H -2.586 -2.369 -4.373 1.00 . A A . 4 LYS HE2 1 1 6 1217 1 1 4 LYS HE3 H -3.888 -3.450 -3.883 1.00 . A A . 4 LYS HE3 1 1 6 1218 1 1 4 LYS HG2 H -5.620 -1.723 -4.146 1.00 . A A . 4 LYS HG2 1 1 6 1219 1 1 4 LYS HG3 H -5.825 -0.886 -5.680 1.00 . A A . 4 LYS HG3 1 1 6 1220 1 1 4 LYS HZ1 H -1.698 -3.890 -5.746 1.00 . A A . 4 LYS HZ1 1 1 6 1221 1 1 4 LYS HZ2 H -3.192 -4.555 -6.187 1.00 . A A . 4 LYS HZ2 1 1 6 1222 1 1 4 LYS HZ3 H -2.477 -4.980 -4.714 1.00 . A A . 4 LYS HZ3 1 1 6 1223 1 1 4 LYS N N -4.380 -0.868 -2.128 1.00 . A A . 4 LYS N 1 1 6 1224 1 1 4 LYS NZ N -2.624 -4.204 -5.388 1.00 . A A . 4 LYS NZ 1 1 6 1225 1 1 4 LYS O O -1.607 1.082 -3.228 1.00 . A A . 4 LYS O 1 1 6 1226 1 1 5 GLN C C -1.784 2.516 -0.174 1.00 . A A . 5 GLN C 1 1 6 1227 1 1 5 GLN CA C -2.698 2.807 -1.363 1.00 . A A . 5 GLN CA 1 1 6 1228 1 1 5 GLN CB C -3.772 3.816 -0.966 1.00 . A A . 5 GLN CB 1 1 6 1229 1 1 5 GLN CD C -5.803 4.306 0.453 1.00 . A A . 5 GLN CD 1 1 6 1230 1 1 5 GLN CG C -4.761 3.278 0.056 1.00 . A A . 5 GLN CG 1 1 6 1231 1 1 5 GLN H H -4.198 1.326 -1.531 1.00 . A A . 5 GLN H 1 1 6 1232 1 1 5 GLN HA H -2.104 3.226 -2.162 1.00 . A A . 5 GLN HA 1 1 6 1233 1 1 5 GLN HB2 H -3.290 4.686 -0.546 1.00 . A A . 5 GLN HB2 1 1 6 1234 1 1 5 GLN HB3 H -4.320 4.107 -1.848 1.00 . A A . 5 GLN HB3 1 1 6 1235 1 1 5 GLN HE21 H -5.195 4.220 2.349 1.00 . A A . 5 GLN HE21 1 1 6 1236 1 1 5 GLN HE22 H -6.511 5.314 2.018 1.00 . A A . 5 GLN HE22 1 1 6 1237 1 1 5 GLN HG2 H -5.266 2.422 -0.368 1.00 . A A . 5 GLN HG2 1 1 6 1238 1 1 5 GLN HG3 H -4.219 2.976 0.939 1.00 . A A . 5 GLN HG3 1 1 6 1239 1 1 5 GLN N N -3.316 1.588 -1.862 1.00 . A A . 5 GLN N 1 1 6 1240 1 1 5 GLN NE2 N -5.840 4.647 1.736 1.00 . A A . 5 GLN NE2 1 1 6 1241 1 1 5 GLN O O -1.234 3.435 0.433 1.00 . A A . 5 GLN O 1 1 6 1242 1 1 5 GLN OE1 O -6.567 4.788 -0.384 1.00 . A A . 5 GLN OE1 1 1 6 1243 1 1 6 TYR C C 0.671 0.601 0.806 1.00 . A A . 6 TYR C 1 1 6 1244 1 1 6 TYR CA C -0.762 0.841 1.266 1.00 . A A . 6 TYR CA 1 1 6 1245 1 1 6 TYR CB C -1.310 -0.406 1.964 1.00 . A A . 6 TYR CB 1 1 6 1246 1 1 6 TYR CD1 C -3.725 0.326 2.068 1.00 . A A . 6 TYR CD1 1 1 6 1247 1 1 6 TYR CD2 C -2.685 -0.414 4.080 1.00 . A A . 6 TYR CD2 1 1 6 1248 1 1 6 TYR CE1 C -4.902 0.554 2.756 1.00 . A A . 6 TYR CE1 1 1 6 1249 1 1 6 TYR CE2 C -3.859 -0.189 4.774 1.00 . A A . 6 TYR CE2 1 1 6 1250 1 1 6 TYR CG C -2.599 -0.161 2.716 1.00 . A A . 6 TYR CG 1 1 6 1251 1 1 6 TYR CZ C -4.965 0.294 4.108 1.00 . A A . 6 TYR CZ 1 1 6 1252 1 1 6 TYR H H -2.078 0.542 -0.375 1.00 . A A . 6 TYR H 1 1 6 1253 1 1 6 TYR HA H -0.758 1.657 1.971 1.00 . A A . 6 TYR HA 1 1 6 1254 1 1 6 TYR HB2 H -1.498 -1.170 1.225 1.00 . A A . 6 TYR HB2 1 1 6 1255 1 1 6 TYR HB3 H -0.576 -0.766 2.669 1.00 . A A . 6 TYR HB3 1 1 6 1256 1 1 6 TYR HD1 H -3.675 0.526 1.009 1.00 . A A . 6 TYR HD1 1 1 6 1257 1 1 6 TYR HD2 H -1.818 -0.792 4.600 1.00 . A A . 6 TYR HD2 1 1 6 1258 1 1 6 TYR HE1 H -5.769 0.932 2.232 1.00 . A A . 6 TYR HE1 1 1 6 1259 1 1 6 TYR HE2 H -3.906 -0.394 5.834 1.00 . A A . 6 TYR HE2 1 1 6 1260 1 1 6 TYR HH H -6.309 -0.222 5.382 1.00 . A A . 6 TYR HH 1 1 6 1261 1 1 6 TYR N N -1.620 1.236 0.150 1.00 . A A . 6 TYR N 1 1 6 1262 1 1 6 TYR O O 1.601 0.623 1.612 1.00 . A A . 6 TYR O 1 1 6 1263 1 1 6 TYR OH O -6.135 0.519 4.796 1.00 . A A . 6 TYR OH 1 1 6 1264 1 1 7 TRP C C 2.987 1.398 -1.096 1.00 . A A . 7 TRP C 1 1 6 1265 1 1 7 TRP CA C 2.155 0.124 -1.059 1.00 . A A . 7 TRP CA 1 1 6 1266 1 1 7 TRP CB C 2.007 -0.446 -2.462 1.00 . A A . 7 TRP CB 1 1 6 1267 1 1 7 TRP CD1 C -0.261 -1.653 -2.469 1.00 . A A . 7 TRP CD1 1 1 6 1268 1 1 7 TRP CD2 C 1.514 -2.988 -2.586 1.00 . A A . 7 TRP CD2 1 1 6 1269 1 1 7 TRP CE2 C 0.364 -3.790 -2.617 1.00 . A A . 7 TRP CE2 1 1 6 1270 1 1 7 TRP CE3 C 2.757 -3.585 -2.636 1.00 . A A . 7 TRP CE3 1 1 6 1271 1 1 7 TRP CG C 1.101 -1.636 -2.521 1.00 . A A . 7 TRP CG 1 1 6 1272 1 1 7 TRP CH2 C 1.675 -5.749 -2.744 1.00 . A A . 7 TRP CH2 1 1 6 1273 1 1 7 TRP CZ2 C 0.429 -5.179 -2.697 1.00 . A A . 7 TRP CZ2 1 1 6 1274 1 1 7 TRP CZ3 C 2.835 -4.963 -2.712 1.00 . A A . 7 TRP CZ3 1 1 6 1275 1 1 7 TRP H H 0.081 0.354 -1.078 1.00 . A A . 7 TRP H 1 1 6 1276 1 1 7 TRP HA H 2.656 -0.594 -0.434 1.00 . A A . 7 TRP HA 1 1 6 1277 1 1 7 TRP HB2 H 1.602 0.315 -3.112 1.00 . A A . 7 TRP HB2 1 1 6 1278 1 1 7 TRP HB3 H 2.978 -0.745 -2.827 1.00 . A A . 7 TRP HB3 1 1 6 1279 1 1 7 TRP HD1 H -0.876 -0.772 -2.401 1.00 . A A . 7 TRP HD1 1 1 6 1280 1 1 7 TRP HE1 H -1.656 -3.224 -2.558 1.00 . A A . 7 TRP HE1 1 1 6 1281 1 1 7 TRP HE3 H 3.647 -2.981 -2.604 1.00 . A A . 7 TRP HE3 1 1 6 1282 1 1 7 TRP HH2 H 1.778 -6.823 -2.803 1.00 . A A . 7 TRP HH2 1 1 6 1283 1 1 7 TRP HZ2 H -0.457 -5.794 -2.724 1.00 . A A . 7 TRP HZ2 1 1 6 1284 1 1 7 TRP HZ3 H 3.800 -5.447 -2.750 1.00 . A A . 7 TRP HZ3 1 1 6 1285 1 1 7 TRP N N 0.847 0.369 -0.491 1.00 . A A . 7 TRP N 1 1 6 1286 1 1 7 TRP NE1 N -0.717 -2.948 -2.554 1.00 . A A . 7 TRP NE1 1 1 6 1287 1 1 7 TRP O O 3.519 1.786 -2.136 1.00 . A A . 7 TRP O 1 1 6 1288 1 1 8 TRP C C 5.346 3.011 0.076 1.00 . A A . 8 TRP C 1 1 6 1289 1 1 8 TRP CA C 3.846 3.272 0.188 1.00 . A A . 8 TRP CA 1 1 6 1290 1 1 8 TRP CB C 3.531 3.916 1.533 1.00 . A A . 8 TRP CB 1 1 6 1291 1 1 8 TRP CD1 C 4.073 6.361 0.986 1.00 . A A . 8 TRP CD1 1 1 6 1292 1 1 8 TRP CD2 C 5.168 5.549 2.762 1.00 . A A . 8 TRP CD2 1 1 6 1293 1 1 8 TRP CE2 C 5.556 6.888 2.571 1.00 . A A . 8 TRP CE2 1 1 6 1294 1 1 8 TRP CE3 C 5.727 4.829 3.821 1.00 . A A . 8 TRP CE3 1 1 6 1295 1 1 8 TRP CG C 4.218 5.231 1.739 1.00 . A A . 8 TRP CG 1 1 6 1296 1 1 8 TRP CH2 C 7.010 6.792 4.428 1.00 . A A . 8 TRP CH2 1 1 6 1297 1 1 8 TRP CZ2 C 6.478 7.521 3.400 1.00 . A A . 8 TRP CZ2 1 1 6 1298 1 1 8 TRP CZ3 C 6.642 5.459 4.643 1.00 . A A . 8 TRP CZ3 1 1 6 1299 1 1 8 TRP H H 2.637 1.673 0.838 1.00 . A A . 8 TRP H 1 1 6 1300 1 1 8 TRP HA H 3.544 3.941 -0.604 1.00 . A A . 8 TRP HA 1 1 6 1301 1 1 8 TRP HB2 H 2.466 4.070 1.603 1.00 . A A . 8 TRP HB2 1 1 6 1302 1 1 8 TRP HB3 H 3.845 3.248 2.323 1.00 . A A . 8 TRP HB3 1 1 6 1303 1 1 8 TRP HD1 H 3.419 6.442 0.131 1.00 . A A . 8 TRP HD1 1 1 6 1304 1 1 8 TRP HE1 H 4.943 8.269 1.114 1.00 . A A . 8 TRP HE1 1 1 6 1305 1 1 8 TRP HE3 H 5.457 3.801 4.002 1.00 . A A . 8 TRP HE3 1 1 6 1306 1 1 8 TRP HH2 H 7.730 7.242 5.095 1.00 . A A . 8 TRP HH2 1 1 6 1307 1 1 8 TRP HZ2 H 6.772 8.549 3.249 1.00 . A A . 8 TRP HZ2 1 1 6 1308 1 1 8 TRP HZ3 H 7.086 4.917 5.466 1.00 . A A . 8 TRP HZ3 1 1 6 1309 1 1 8 TRP N N 3.088 2.039 0.053 1.00 . A A . 8 TRP N 1 1 6 1310 1 1 8 TRP NE1 N 4.873 7.362 1.481 1.00 . A A . 8 TRP NE1 1 1 6 1311 1 1 8 TRP O O 6.095 3.865 -0.394 1.00 . A A . 8 TRP O 1 1 6 1312 1 1 9 ARG C C 7.501 0.359 1.544 1.00 . A A . 9 ARG C 1 1 6 1313 1 1 9 ARG CA C 7.169 1.392 0.459 1.00 . A A . 9 ARG CA 1 1 6 1314 1 1 9 ARG CB C 8.147 2.579 0.551 1.00 . A A . 9 ARG CB 1 1 6 1315 1 1 9 ARG CD C 8.953 4.612 1.787 1.00 . A A . 9 ARG CD 1 1 6 1316 1 1 9 ARG CG C 7.954 3.465 1.772 1.00 . A A . 9 ARG CG 1 1 6 1317 1 1 9 ARG CZ C 10.854 3.455 2.851 1.00 . A A . 9 ARG CZ 1 1 6 1318 1 1 9 ARG H H 5.097 1.186 0.845 1.00 . A A . 9 ARG H 1 1 6 1319 1 1 9 ARG HA H 7.310 0.916 -0.492 1.00 . A A . 9 ARG HA 1 1 6 1320 1 1 9 ARG HB2 H 9.154 2.189 0.579 1.00 . A A . 9 ARG HB2 1 1 6 1321 1 1 9 ARG HB3 H 8.039 3.189 -0.332 1.00 . A A . 9 ARG HB3 1 1 6 1322 1 1 9 ARG HD2 H 8.815 5.205 0.896 1.00 . A A . 9 ARG HD2 1 1 6 1323 1 1 9 ARG HD3 H 8.762 5.225 2.656 1.00 . A A . 9 ARG HD3 1 1 6 1324 1 1 9 ARG HE H 10.903 4.330 1.057 1.00 . A A . 9 ARG HE 1 1 6 1325 1 1 9 ARG HG2 H 6.955 3.872 1.755 1.00 . A A . 9 ARG HG2 1 1 6 1326 1 1 9 ARG HG3 H 8.088 2.870 2.662 1.00 . A A . 9 ARG HG3 1 1 6 1327 1 1 9 ARG HH11 H 9.192 3.549 4.000 1.00 . A A . 9 ARG HH11 1 1 6 1328 1 1 9 ARG HH12 H 10.530 2.699 4.697 1.00 . A A . 9 ARG HH12 1 1 6 1329 1 1 9 ARG HH21 H 12.663 3.219 1.979 1.00 . A A . 9 ARG HH21 1 1 6 1330 1 1 9 ARG HH22 H 12.498 2.512 3.552 1.00 . A A . 9 ARG HH22 1 1 6 1331 1 1 9 ARG N N 5.762 1.815 0.503 1.00 . A A . 9 ARG N 1 1 6 1332 1 1 9 ARG NE N 10.335 4.139 1.834 1.00 . A A . 9 ARG NE 1 1 6 1333 1 1 9 ARG NH1 N 10.132 3.214 3.938 1.00 . A A . 9 ARG NH1 1 1 6 1334 1 1 9 ARG NH2 N 12.108 3.027 2.790 1.00 . A A . 9 ARG NH2 1 1 6 1335 1 1 9 ARG O O 8.349 -0.509 1.329 1.00 . A A . 9 ARG O 1 1 6 1336 1 1 10 PRO C C 6.205 -1.724 3.787 1.00 . A A . 10 PRO C 1 1 6 1337 1 1 10 PRO CA C 7.121 -0.505 3.817 1.00 . A A . 10 PRO CA 1 1 6 1338 1 1 10 PRO CB C 6.833 0.352 5.042 1.00 . A A . 10 PRO CB 1 1 6 1339 1 1 10 PRO CD C 5.844 1.420 3.112 1.00 . A A . 10 PRO CD 1 1 6 1340 1 1 10 PRO CG C 5.720 1.250 4.612 1.00 . A A . 10 PRO CG 1 1 6 1341 1 1 10 PRO HA H 8.148 -0.829 3.828 1.00 . A A . 10 PRO HA 1 1 6 1342 1 1 10 PRO HB2 H 6.540 -0.280 5.868 1.00 . A A . 10 PRO HB2 1 1 6 1343 1 1 10 PRO HB3 H 7.715 0.916 5.307 1.00 . A A . 10 PRO HB3 1 1 6 1344 1 1 10 PRO HD2 H 4.903 1.206 2.635 1.00 . A A . 10 PRO HD2 1 1 6 1345 1 1 10 PRO HD3 H 6.169 2.415 2.868 1.00 . A A . 10 PRO HD3 1 1 6 1346 1 1 10 PRO HG2 H 4.773 0.792 4.852 1.00 . A A . 10 PRO HG2 1 1 6 1347 1 1 10 PRO HG3 H 5.810 2.206 5.105 1.00 . A A . 10 PRO HG3 1 1 6 1348 1 1 10 PRO N N 6.860 0.429 2.727 1.00 . A A . 10 PRO N 1 1 6 1349 1 1 10 PRO O O 6.527 -2.765 4.360 1.00 . A A . 10 PRO O 1 1 6 1350 1 1 11 SER C C 4.435 -3.554 1.778 1.00 . A A . 11 SER C 1 1 6 1351 1 1 11 SER CA C 4.124 -2.695 2.999 1.00 . A A . 11 SER CA 1 1 6 1352 1 1 11 SER CB C 2.694 -2.158 2.911 1.00 . A A . 11 SER CB 1 1 6 1353 1 1 11 SER H H 4.870 -0.748 2.664 1.00 . A A . 11 SER H 1 1 6 1354 1 1 11 SER HA H 4.217 -3.304 3.887 1.00 . A A . 11 SER HA 1 1 6 1355 1 1 11 SER HB2 H 2.602 -1.526 2.040 1.00 . A A . 11 SER HB2 1 1 6 1356 1 1 11 SER HB3 H 2.005 -2.985 2.830 1.00 . A A . 11 SER HB3 1 1 6 1357 1 1 11 SER HG H 3.095 -0.818 4.283 1.00 . A A . 11 SER HG 1 1 6 1358 1 1 11 SER N N 5.071 -1.595 3.109 1.00 . A A . 11 SER N 1 1 6 1359 1 1 11 SER O O 3.590 -4.320 1.314 1.00 . A A . 11 SER O 1 1 6 1360 1 1 11 SER OG O 2.363 -1.398 4.062 1.00 . A A . 11 SER OG 1 1 6 1361 1 1 12 ILE C C 7.291 -5.044 0.416 1.00 . A A . 12 ILE C 1 1 6 1362 1 1 12 ILE CA C 6.072 -4.188 0.089 1.00 . A A . 12 ILE CA 1 1 6 1363 1 1 12 ILE CB C 6.391 -3.253 -1.102 1.00 . A A . 12 ILE CB 1 1 6 1364 1 1 12 ILE CD1 C 7.953 -4.892 -2.302 1.00 . A A . 12 ILE CD1 1 1 6 1365 1 1 12 ILE CG1 C 6.693 -4.056 -2.375 1.00 . A A . 12 ILE CG1 1 1 6 1366 1 1 12 ILE CG2 C 7.559 -2.338 -0.761 1.00 . A A . 12 ILE CG2 1 1 6 1367 1 1 12 ILE H H 6.289 -2.794 1.670 1.00 . A A . 12 ILE H 1 1 6 1368 1 1 12 ILE HA H 5.255 -4.835 -0.195 1.00 . A A . 12 ILE HA 1 1 6 1369 1 1 12 ILE HB H 5.525 -2.632 -1.277 1.00 . A A . 12 ILE HB 1 1 6 1370 1 1 12 ILE HD11 H 8.412 -4.935 -3.279 1.00 . A A . 12 ILE HD11 1 1 6 1371 1 1 12 ILE HD12 H 7.704 -5.891 -1.977 1.00 . A A . 12 ILE HD12 1 1 6 1372 1 1 12 ILE HD13 H 8.642 -4.446 -1.600 1.00 . A A . 12 ILE HD13 1 1 6 1373 1 1 12 ILE HG12 H 5.868 -4.725 -2.571 1.00 . A A . 12 ILE HG12 1 1 6 1374 1 1 12 ILE HG13 H 6.796 -3.372 -3.205 1.00 . A A . 12 ILE HG13 1 1 6 1375 1 1 12 ILE HG21 H 8.436 -2.652 -1.309 1.00 . A A . 12 ILE HG21 1 1 6 1376 1 1 12 ILE HG22 H 7.761 -2.390 0.299 1.00 . A A . 12 ILE HG22 1 1 6 1377 1 1 12 ILE HG23 H 7.311 -1.322 -1.031 1.00 . A A . 12 ILE HG23 1 1 6 1378 1 1 12 ILE N N 5.655 -3.422 1.258 1.00 . A A . 12 ILE N 1 1 6 1379 1 1 12 ILE O O 8.296 -4.482 0.899 1.00 . A A . 12 ILE O 1 1 6 1380 1 1 12 ILE OXT O 7.230 -6.271 0.186 1.00 . A A . 12 ILE OXT 1 1 7 1381 1 1 1 HIS C C -8.946 -1.374 -3.628 1.00 . A A . 1 HIS C 1 1 7 1382 1 1 1 HIS CA C -9.314 -1.306 -5.109 1.00 . A A . 1 HIS CA 1 1 7 1383 1 1 1 HIS CB C -8.470 -0.239 -5.812 1.00 . A A . 1 HIS CB 1 1 7 1384 1 1 1 HIS CD2 C -9.433 -0.950 -8.116 1.00 . A A . 1 HIS CD2 1 1 7 1385 1 1 1 HIS CE1 C -8.401 0.530 -9.362 1.00 . A A . 1 HIS CE1 1 1 7 1386 1 1 1 HIS CG C -8.671 -0.187 -7.296 1.00 . A A . 1 HIS CG 1 1 7 1387 1 1 1 HIS H1 H -10.850 0.061 -5.218 1.00 . A A . 1 HIS H1 1 1 7 1388 1 1 1 HIS H2 H -11.287 -1.455 -4.542 1.00 . A A . 1 HIS H2 1 1 7 1389 1 1 1 HIS H3 H -11.040 -1.306 -6.232 1.00 . A A . 1 HIS H3 1 1 7 1390 1 1 1 HIS HA H -9.126 -2.265 -5.567 1.00 . A A . 1 HIS HA 1 1 7 1391 1 1 1 HIS HB2 H -8.723 0.730 -5.409 1.00 . A A . 1 HIS HB2 1 1 7 1392 1 1 1 HIS HB3 H -7.426 -0.439 -5.624 1.00 . A A . 1 HIS HB3 1 1 7 1393 1 1 1 HIS HD1 H -7.415 1.424 -7.808 1.00 . A A . 1 HIS HD1 1 1 7 1394 1 1 1 HIS HD2 H -10.065 -1.776 -7.823 1.00 . A A . 1 HIS HD2 1 1 7 1395 1 1 1 HIS HE1 H -8.063 1.099 -10.215 1.00 . A A . 1 HIS HE1 1 1 7 1396 1 1 1 HIS HE2 H -9.604 -0.893 -10.209 1.00 . A A . 1 HIS HE2 1 1 7 1397 1 1 1 HIS N N -10.752 -0.970 -5.292 1.00 . A A . 1 HIS N 1 1 7 1398 1 1 1 HIS ND1 N -8.038 0.729 -8.108 1.00 . A A . 1 HIS ND1 1 1 7 1399 1 1 1 HIS NE2 N -9.247 -0.482 -9.394 1.00 . A A . 1 HIS NE2 1 1 7 1400 1 1 1 HIS O O -9.291 -0.482 -2.855 1.00 . A A . 1 HIS O 1 1 7 1401 1 1 2 PRO C C -6.995 -1.461 -1.296 1.00 . A A . 2 PRO C 1 1 7 1402 1 1 2 PRO CA C -7.826 -2.623 -1.813 1.00 . A A . 2 PRO CA 1 1 7 1403 1 1 2 PRO CB C -6.974 -3.905 -1.855 1.00 . A A . 2 PRO CB 1 1 7 1404 1 1 2 PRO CD C -7.780 -3.558 -4.041 1.00 . A A . 2 PRO CD 1 1 7 1405 1 1 2 PRO CG C -6.592 -4.050 -3.282 1.00 . A A . 2 PRO CG 1 1 7 1406 1 1 2 PRO HA H -8.676 -2.774 -1.166 1.00 . A A . 2 PRO HA 1 1 7 1407 1 1 2 PRO HB2 H -6.106 -3.791 -1.224 1.00 . A A . 2 PRO HB2 1 1 7 1408 1 1 2 PRO HB3 H -7.564 -4.743 -1.518 1.00 . A A . 2 PRO HB3 1 1 7 1409 1 1 2 PRO HD2 H -7.500 -3.227 -5.029 1.00 . A A . 2 PRO HD2 1 1 7 1410 1 1 2 PRO HD3 H -8.529 -4.324 -4.085 1.00 . A A . 2 PRO HD3 1 1 7 1411 1 1 2 PRO HG2 H -5.724 -3.442 -3.498 1.00 . A A . 2 PRO HG2 1 1 7 1412 1 1 2 PRO HG3 H -6.398 -5.088 -3.512 1.00 . A A . 2 PRO HG3 1 1 7 1413 1 1 2 PRO N N -8.237 -2.440 -3.208 1.00 . A A . 2 PRO N 1 1 7 1414 1 1 2 PRO O O -7.007 -0.365 -1.856 1.00 . A A . 2 PRO O 1 1 7 1415 1 1 3 LEU C C -3.999 -0.756 -0.182 1.00 . A A . 3 LEU C 1 1 7 1416 1 1 3 LEU CA C -5.411 -0.720 0.397 1.00 . A A . 3 LEU CA 1 1 7 1417 1 1 3 LEU CB C -5.369 -0.917 1.918 1.00 . A A . 3 LEU CB 1 1 7 1418 1 1 3 LEU CD1 C -3.612 -2.720 1.946 1.00 . A A . 3 LEU CD1 1 1 7 1419 1 1 3 LEU CD2 C -5.120 -2.413 3.913 1.00 . A A . 3 LEU CD2 1 1 7 1420 1 1 3 LEU CG C -5.008 -2.327 2.399 1.00 . A A . 3 LEU CG 1 1 7 1421 1 1 3 LEU H H -6.310 -2.623 0.158 1.00 . A A . 3 LEU H 1 1 7 1422 1 1 3 LEU HA H -5.840 0.246 0.187 1.00 . A A . 3 LEU HA 1 1 7 1423 1 1 3 LEU HB2 H -4.641 -0.229 2.324 1.00 . A A . 3 LEU HB2 1 1 7 1424 1 1 3 LEU HB3 H -6.339 -0.663 2.318 1.00 . A A . 3 LEU HB3 1 1 7 1425 1 1 3 LEU HD11 H -2.934 -1.897 2.112 1.00 . A A . 3 LEU HD11 1 1 7 1426 1 1 3 LEU HD12 H -3.631 -2.967 0.894 1.00 . A A . 3 LEU HD12 1 1 7 1427 1 1 3 LEU HD13 H -3.278 -3.580 2.509 1.00 . A A . 3 LEU HD13 1 1 7 1428 1 1 3 LEU HD21 H -5.484 -3.389 4.195 1.00 . A A . 3 LEU HD21 1 1 7 1429 1 1 3 LEU HD22 H -5.806 -1.657 4.267 1.00 . A A . 3 LEU HD22 1 1 7 1430 1 1 3 LEU HD23 H -4.147 -2.250 4.356 1.00 . A A . 3 LEU HD23 1 1 7 1431 1 1 3 LEU HG H -5.707 -3.033 1.974 1.00 . A A . 3 LEU HG 1 1 7 1432 1 1 3 LEU N N -6.269 -1.723 -0.222 1.00 . A A . 3 LEU N 1 1 7 1433 1 1 3 LEU O O -3.035 -0.385 0.485 1.00 . A A . 3 LEU O 1 1 7 1434 1 1 4 LYS C C -1.920 0.062 -2.158 1.00 . A A . 4 LYS C 1 1 7 1435 1 1 4 LYS CA C -2.596 -1.294 -2.089 1.00 . A A . 4 LYS CA 1 1 7 1436 1 1 4 LYS CB C -2.806 -1.845 -3.479 1.00 . A A . 4 LYS CB 1 1 7 1437 1 1 4 LYS CD C -3.769 -1.555 -5.771 1.00 . A A . 4 LYS CD 1 1 7 1438 1 1 4 LYS CE C -4.605 -0.672 -6.678 1.00 . A A . 4 LYS CE 1 1 7 1439 1 1 4 LYS CG C -3.596 -0.932 -4.396 1.00 . A A . 4 LYS CG 1 1 7 1440 1 1 4 LYS H H -4.670 -1.493 -1.916 1.00 . A A . 4 LYS H 1 1 7 1441 1 1 4 LYS HA H -1.976 -1.970 -1.531 1.00 . A A . 4 LYS HA 1 1 7 1442 1 1 4 LYS HB2 H -1.858 -2.039 -3.922 1.00 . A A . 4 LYS HB2 1 1 7 1443 1 1 4 LYS HB3 H -3.346 -2.762 -3.384 1.00 . A A . 4 LYS HB3 1 1 7 1444 1 1 4 LYS HD2 H -2.795 -1.694 -6.217 1.00 . A A . 4 LYS HD2 1 1 7 1445 1 1 4 LYS HD3 H -4.257 -2.512 -5.663 1.00 . A A . 4 LYS HD3 1 1 7 1446 1 1 4 LYS HE2 H -4.723 -1.167 -7.628 1.00 . A A . 4 LYS HE2 1 1 7 1447 1 1 4 LYS HE3 H -5.572 -0.535 -6.222 1.00 . A A . 4 LYS HE3 1 1 7 1448 1 1 4 LYS HG2 H -4.571 -0.756 -3.966 1.00 . A A . 4 LYS HG2 1 1 7 1449 1 1 4 LYS HG3 H -3.069 0.006 -4.499 1.00 . A A . 4 LYS HG3 1 1 7 1450 1 1 4 LYS HZ1 H -4.617 1.415 -6.577 1.00 . A A . 4 LYS HZ1 1 1 7 1451 1 1 4 LYS HZ2 H -3.778 0.798 -7.910 1.00 . A A . 4 LYS HZ2 1 1 7 1452 1 1 4 LYS HZ3 H -3.084 0.730 -6.370 1.00 . A A . 4 LYS HZ3 1 1 7 1453 1 1 4 LYS N N -3.878 -1.207 -1.426 1.00 . A A . 4 LYS N 1 1 7 1454 1 1 4 LYS NZ N -3.976 0.660 -6.898 1.00 . A A . 4 LYS NZ 1 1 7 1455 1 1 4 LYS O O -0.692 0.162 -2.155 1.00 . A A . 4 LYS O 1 1 7 1456 1 1 5 GLN C C -1.775 2.909 -0.869 1.00 . A A . 5 GLN C 1 1 7 1457 1 1 5 GLN CA C -2.219 2.457 -2.253 1.00 . A A . 5 GLN CA 1 1 7 1458 1 1 5 GLN CB C -3.277 3.411 -2.796 1.00 . A A . 5 GLN CB 1 1 7 1459 1 1 5 GLN CD C -5.584 4.402 -2.529 1.00 . A A . 5 GLN CD 1 1 7 1460 1 1 5 GLN CG C -4.552 3.443 -1.970 1.00 . A A . 5 GLN CG 1 1 7 1461 1 1 5 GLN H H -3.699 0.950 -2.190 1.00 . A A . 5 GLN H 1 1 7 1462 1 1 5 GLN HA H -1.365 2.465 -2.915 1.00 . A A . 5 GLN HA 1 1 7 1463 1 1 5 GLN HB2 H -2.860 4.405 -2.817 1.00 . A A . 5 GLN HB2 1 1 7 1464 1 1 5 GLN HB3 H -3.529 3.111 -3.801 1.00 . A A . 5 GLN HB3 1 1 7 1465 1 1 5 GLN HE21 H -5.566 5.443 -0.830 1.00 . A A . 5 GLN HE21 1 1 7 1466 1 1 5 GLN HE22 H -6.642 6.027 -2.070 1.00 . A A . 5 GLN HE22 1 1 7 1467 1 1 5 GLN HG2 H -4.978 2.452 -1.948 1.00 . A A . 5 GLN HG2 1 1 7 1468 1 1 5 GLN HG3 H -4.306 3.751 -0.964 1.00 . A A . 5 GLN HG3 1 1 7 1469 1 1 5 GLN N N -2.732 1.101 -2.203 1.00 . A A . 5 GLN N 1 1 7 1470 1 1 5 GLN NE2 N -5.970 5.390 -1.730 1.00 . A A . 5 GLN NE2 1 1 7 1471 1 1 5 GLN O O -1.298 4.031 -0.698 1.00 . A A . 5 GLN O 1 1 7 1472 1 1 5 GLN OE1 O -6.032 4.256 -3.667 1.00 . A A . 5 GLN OE1 1 1 7 1473 1 1 6 TYR C C -0.061 2.016 1.719 1.00 . A A . 6 TYR C 1 1 7 1474 1 1 6 TYR CA C -1.525 2.361 1.485 1.00 . A A . 6 TYR CA 1 1 7 1475 1 1 6 TYR CB C -2.412 1.648 2.506 1.00 . A A . 6 TYR CB 1 1 7 1476 1 1 6 TYR CD1 C -4.618 2.041 1.337 1.00 . A A . 6 TYR CD1 1 1 7 1477 1 1 6 TYR CD2 C -4.440 2.637 3.637 1.00 . A A . 6 TYR CD2 1 1 7 1478 1 1 6 TYR CE1 C -5.931 2.472 1.323 1.00 . A A . 6 TYR CE1 1 1 7 1479 1 1 6 TYR CE2 C -5.753 3.068 3.632 1.00 . A A . 6 TYR CE2 1 1 7 1480 1 1 6 TYR CG C -3.851 2.117 2.492 1.00 . A A . 6 TYR CG 1 1 7 1481 1 1 6 TYR CZ C -6.493 2.985 2.473 1.00 . A A . 6 TYR CZ 1 1 7 1482 1 1 6 TYR H H -2.309 1.136 -0.076 1.00 . A A . 6 TYR H 1 1 7 1483 1 1 6 TYR HA H -1.645 3.425 1.606 1.00 . A A . 6 TYR HA 1 1 7 1484 1 1 6 TYR HB2 H -2.406 0.588 2.303 1.00 . A A . 6 TYR HB2 1 1 7 1485 1 1 6 TYR HB3 H -2.017 1.819 3.497 1.00 . A A . 6 TYR HB3 1 1 7 1486 1 1 6 TYR HD1 H -4.176 1.639 0.438 1.00 . A A . 6 TYR HD1 1 1 7 1487 1 1 6 TYR HD2 H -3.857 2.703 4.545 1.00 . A A . 6 TYR HD2 1 1 7 1488 1 1 6 TYR HE1 H -6.511 2.404 0.414 1.00 . A A . 6 TYR HE1 1 1 7 1489 1 1 6 TYR HE2 H -6.193 3.471 4.533 1.00 . A A . 6 TYR HE2 1 1 7 1490 1 1 6 TYR HH H -7.823 4.369 2.373 1.00 . A A . 6 TYR HH 1 1 7 1491 1 1 6 TYR N N -1.926 2.030 0.120 1.00 . A A . 6 TYR N 1 1 7 1492 1 1 6 TYR O O 0.601 2.609 2.572 1.00 . A A . 6 TYR O 1 1 7 1493 1 1 6 TYR OH O -7.801 3.414 2.463 1.00 . A A . 6 TYR OH 1 1 7 1494 1 1 7 TRP C C 2.761 1.782 0.736 1.00 . A A . 7 TRP C 1 1 7 1495 1 1 7 TRP CA C 1.811 0.631 1.049 1.00 . A A . 7 TRP CA 1 1 7 1496 1 1 7 TRP CB C 2.019 -0.551 0.105 1.00 . A A . 7 TRP CB 1 1 7 1497 1 1 7 TRP CD1 C -0.270 -1.745 0.168 1.00 . A A . 7 TRP CD1 1 1 7 1498 1 1 7 TRP CD2 C 1.441 -2.942 0.930 1.00 . A A . 7 TRP CD2 1 1 7 1499 1 1 7 TRP CE2 C 0.284 -3.728 1.023 1.00 . A A . 7 TRP CE2 1 1 7 1500 1 1 7 TRP CE3 C 2.645 -3.456 1.348 1.00 . A A . 7 TRP CE3 1 1 7 1501 1 1 7 TRP CG C 1.081 -1.694 0.372 1.00 . A A . 7 TRP CG 1 1 7 1502 1 1 7 TRP CH2 C 1.523 -5.518 1.939 1.00 . A A . 7 TRP CH2 1 1 7 1503 1 1 7 TRP CZ2 C 0.311 -5.027 1.528 1.00 . A A . 7 TRP CZ2 1 1 7 1504 1 1 7 TRP CZ3 C 2.688 -4.741 1.853 1.00 . A A . 7 TRP CZ3 1 1 7 1505 1 1 7 TRP H H -0.132 0.630 0.289 1.00 . A A . 7 TRP H 1 1 7 1506 1 1 7 TRP HA H 1.997 0.311 2.060 1.00 . A A . 7 TRP HA 1 1 7 1507 1 1 7 TRP HB2 H 1.863 -0.225 -0.912 1.00 . A A . 7 TRP HB2 1 1 7 1508 1 1 7 TRP HB3 H 3.030 -0.916 0.212 1.00 . A A . 7 TRP HB3 1 1 7 1509 1 1 7 TRP HD1 H -0.856 -0.941 -0.245 1.00 . A A . 7 TRP HD1 1 1 7 1510 1 1 7 TRP HE1 H -1.690 -3.265 0.485 1.00 . A A . 7 TRP HE1 1 1 7 1511 1 1 7 TRP HE3 H 3.531 -2.854 1.283 1.00 . A A . 7 TRP HE3 1 1 7 1512 1 1 7 TRP HH2 H 1.596 -6.517 2.340 1.00 . A A . 7 TRP HH2 1 1 7 1513 1 1 7 TRP HZ2 H -0.579 -5.634 1.599 1.00 . A A . 7 TRP HZ2 1 1 7 1514 1 1 7 TRP HZ3 H 3.626 -5.159 2.186 1.00 . A A . 7 TRP HZ3 1 1 7 1515 1 1 7 TRP N N 0.438 1.059 0.951 1.00 . A A . 7 TRP N 1 1 7 1516 1 1 7 TRP NE1 N -0.755 -2.978 0.545 1.00 . A A . 7 TRP NE1 1 1 7 1517 1 1 7 TRP O O 3.115 2.545 1.634 1.00 . A A . 7 TRP O 1 1 7 1518 1 1 8 TRP C C 5.523 2.619 -0.545 1.00 . A A . 8 TRP C 1 1 7 1519 1 1 8 TRP CA C 4.094 2.960 -0.940 1.00 . A A . 8 TRP CA 1 1 7 1520 1 1 8 TRP CB C 3.692 4.291 -0.298 1.00 . A A . 8 TRP CB 1 1 7 1521 1 1 8 TRP CD1 C 4.661 5.853 -2.088 1.00 . A A . 8 TRP CD1 1 1 7 1522 1 1 8 TRP CD2 C 5.196 6.410 0.012 1.00 . A A . 8 TRP CD2 1 1 7 1523 1 1 8 TRP CE2 C 5.793 7.337 -0.860 1.00 . A A . 8 TRP CE2 1 1 7 1524 1 1 8 TRP CE3 C 5.388 6.558 1.389 1.00 . A A . 8 TRP CE3 1 1 7 1525 1 1 8 TRP CG C 4.485 5.464 -0.792 1.00 . A A . 8 TRP CG 1 1 7 1526 1 1 8 TRP CH2 C 6.741 8.516 0.954 1.00 . A A . 8 TRP CH2 1 1 7 1527 1 1 8 TRP CZ2 C 6.570 8.397 -0.400 1.00 . A A . 8 TRP CZ2 1 1 7 1528 1 1 8 TRP CZ3 C 6.158 7.609 1.845 1.00 . A A . 8 TRP CZ3 1 1 7 1529 1 1 8 TRP H H 2.874 1.267 -1.188 1.00 . A A . 8 TRP H 1 1 7 1530 1 1 8 TRP HA H 4.037 3.052 -2.013 1.00 . A A . 8 TRP HA 1 1 7 1531 1 1 8 TRP HB2 H 2.654 4.474 -0.490 1.00 . A A . 8 TRP HB2 1 1 7 1532 1 1 8 TRP HB3 H 3.842 4.224 0.768 1.00 . A A . 8 TRP HB3 1 1 7 1533 1 1 8 TRP HD1 H 4.241 5.340 -2.940 1.00 . A A . 8 TRP HD1 1 1 7 1534 1 1 8 TRP HE1 H 5.729 7.442 -2.955 1.00 . A A . 8 TRP HE1 1 1 7 1535 1 1 8 TRP HE3 H 4.947 5.869 2.092 1.00 . A A . 8 TRP HE3 1 1 7 1536 1 1 8 TRP HH2 H 7.337 9.319 1.356 1.00 . A A . 8 TRP HH2 1 1 7 1537 1 1 8 TRP HZ2 H 7.027 9.107 -1.073 1.00 . A A . 8 TRP HZ2 1 1 7 1538 1 1 8 TRP HZ3 H 6.319 7.739 2.905 1.00 . A A . 8 TRP HZ3 1 1 7 1539 1 1 8 TRP N N 3.180 1.902 -0.524 1.00 . A A . 8 TRP N 1 1 7 1540 1 1 8 TRP NE1 N 5.454 6.975 -2.138 1.00 . A A . 8 TRP NE1 1 1 7 1541 1 1 8 TRP O O 6.453 2.762 -1.338 1.00 . A A . 8 TRP O 1 1 7 1542 1 1 9 ARG C C 7.223 0.402 1.537 1.00 . A A . 9 ARG C 1 1 7 1543 1 1 9 ARG CA C 7.006 1.894 1.245 1.00 . A A . 9 ARG CA 1 1 7 1544 1 1 9 ARG CB C 7.212 2.710 2.515 1.00 . A A . 9 ARG CB 1 1 7 1545 1 1 9 ARG CD C 8.125 4.860 1.542 1.00 . A A . 9 ARG CD 1 1 7 1546 1 1 9 ARG CG C 6.982 4.198 2.302 1.00 . A A . 9 ARG CG 1 1 7 1547 1 1 9 ARG CZ C 9.167 4.818 -0.690 1.00 . A A . 9 ARG CZ 1 1 7 1548 1 1 9 ARG H H 4.903 2.164 1.285 1.00 . A A . 9 ARG H 1 1 7 1549 1 1 9 ARG HA H 7.730 2.199 0.525 1.00 . A A . 9 ARG HA 1 1 7 1550 1 1 9 ARG HB2 H 6.525 2.362 3.271 1.00 . A A . 9 ARG HB2 1 1 7 1551 1 1 9 ARG HB3 H 8.224 2.569 2.862 1.00 . A A . 9 ARG HB3 1 1 7 1552 1 1 9 ARG HD2 H 7.977 5.930 1.562 1.00 . A A . 9 ARG HD2 1 1 7 1553 1 1 9 ARG HD3 H 9.053 4.622 2.042 1.00 . A A . 9 ARG HD3 1 1 7 1554 1 1 9 ARG HE H 7.522 3.819 -0.178 1.00 . A A . 9 ARG HE 1 1 7 1555 1 1 9 ARG HG2 H 6.072 4.313 1.727 1.00 . A A . 9 ARG HG2 1 1 7 1556 1 1 9 ARG HG3 H 6.866 4.680 3.263 1.00 . A A . 9 ARG HG3 1 1 7 1557 1 1 9 ARG HH11 H 10.132 5.972 0.664 1.00 . A A . 9 ARG HH11 1 1 7 1558 1 1 9 ARG HH12 H 10.837 5.935 -0.916 1.00 . A A . 9 ARG HH12 1 1 7 1559 1 1 9 ARG HH21 H 8.446 3.767 -2.258 1.00 . A A . 9 ARG HH21 1 1 7 1560 1 1 9 ARG HH22 H 9.879 4.686 -2.576 1.00 . A A . 9 ARG HH22 1 1 7 1561 1 1 9 ARG N N 5.687 2.211 0.703 1.00 . A A . 9 ARG N 1 1 7 1562 1 1 9 ARG NE N 8.214 4.425 0.151 1.00 . A A . 9 ARG NE 1 1 7 1563 1 1 9 ARG NH1 N 10.123 5.643 -0.280 1.00 . A A . 9 ARG NH1 1 1 7 1564 1 1 9 ARG NH2 N 9.165 4.389 -1.944 1.00 . A A . 9 ARG NH2 1 1 7 1565 1 1 9 ARG O O 8.338 -0.097 1.387 1.00 . A A . 9 ARG O 1 1 7 1566 1 1 10 PRO C C 6.043 -2.650 1.074 1.00 . A A . 10 PRO C 1 1 7 1567 1 1 10 PRO CA C 6.306 -1.753 2.276 1.00 . A A . 10 PRO CA 1 1 7 1568 1 1 10 PRO CB C 5.239 -1.944 3.348 1.00 . A A . 10 PRO CB 1 1 7 1569 1 1 10 PRO CD C 4.820 0.142 2.186 1.00 . A A . 10 PRO CD 1 1 7 1570 1 1 10 PRO CG C 4.178 -0.942 3.018 1.00 . A A . 10 PRO CG 1 1 7 1571 1 1 10 PRO HA H 7.277 -1.984 2.685 1.00 . A A . 10 PRO HA 1 1 7 1572 1 1 10 PRO HB2 H 4.858 -2.954 3.300 1.00 . A A . 10 PRO HB2 1 1 7 1573 1 1 10 PRO HB3 H 5.665 -1.759 4.321 1.00 . A A . 10 PRO HB3 1 1 7 1574 1 1 10 PRO HD2 H 4.307 0.240 1.245 1.00 . A A . 10 PRO HD2 1 1 7 1575 1 1 10 PRO HD3 H 4.819 1.087 2.714 1.00 . A A . 10 PRO HD3 1 1 7 1576 1 1 10 PRO HG2 H 3.396 -1.418 2.451 1.00 . A A . 10 PRO HG2 1 1 7 1577 1 1 10 PRO HG3 H 3.775 -0.524 3.929 1.00 . A A . 10 PRO HG3 1 1 7 1578 1 1 10 PRO N N 6.185 -0.335 1.965 1.00 . A A . 10 PRO N 1 1 7 1579 1 1 10 PRO O O 6.497 -3.793 1.033 1.00 . A A . 10 PRO O 1 1 7 1580 1 1 11 SER C C 6.176 -2.771 -2.115 1.00 . A A . 11 SER C 1 1 7 1581 1 1 11 SER CA C 5.029 -2.887 -1.118 1.00 . A A . 11 SER CA 1 1 7 1582 1 1 11 SER CB C 3.728 -2.397 -1.759 1.00 . A A . 11 SER CB 1 1 7 1583 1 1 11 SER H H 4.999 -1.207 0.164 1.00 . A A . 11 SER H 1 1 7 1584 1 1 11 SER HA H 4.914 -3.923 -0.837 1.00 . A A . 11 SER HA 1 1 7 1585 1 1 11 SER HB2 H 2.915 -2.535 -1.064 1.00 . A A . 11 SER HB2 1 1 7 1586 1 1 11 SER HB3 H 3.821 -1.348 -2.002 1.00 . A A . 11 SER HB3 1 1 7 1587 1 1 11 SER HG H 2.527 -2.962 -3.200 1.00 . A A . 11 SER HG 1 1 7 1588 1 1 11 SER N N 5.324 -2.126 0.088 1.00 . A A . 11 SER N 1 1 7 1589 1 1 11 SER O O 6.073 -3.232 -3.251 1.00 . A A . 11 SER O 1 1 7 1590 1 1 11 SER OG O 3.440 -3.117 -2.945 1.00 . A A . 11 SER OG 1 1 7 1591 1 1 12 ILE C C 9.493 -3.039 -2.249 1.00 . A A . 12 ILE C 1 1 7 1592 1 1 12 ILE CA C 8.439 -1.975 -2.541 1.00 . A A . 12 ILE CA 1 1 7 1593 1 1 12 ILE CB C 9.063 -0.575 -2.362 1.00 . A A . 12 ILE CB 1 1 7 1594 1 1 12 ILE CD1 C 7.486 0.450 -4.077 1.00 . A A . 12 ILE CD1 1 1 7 1595 1 1 12 ILE CG1 C 8.031 0.511 -2.666 1.00 . A A . 12 ILE CG1 1 1 7 1596 1 1 12 ILE CG2 C 10.283 -0.415 -3.262 1.00 . A A . 12 ILE CG2 1 1 7 1597 1 1 12 ILE H H 7.296 -1.801 -0.763 1.00 . A A . 12 ILE H 1 1 7 1598 1 1 12 ILE HA H 8.115 -2.074 -3.567 1.00 . A A . 12 ILE HA 1 1 7 1599 1 1 12 ILE HB H 9.387 -0.478 -1.337 1.00 . A A . 12 ILE HB 1 1 7 1600 1 1 12 ILE HD11 H 6.418 0.301 -4.044 1.00 . A A . 12 ILE HD11 1 1 7 1601 1 1 12 ILE HD12 H 7.948 -0.371 -4.605 1.00 . A A . 12 ILE HD12 1 1 7 1602 1 1 12 ILE HD13 H 7.705 1.375 -4.587 1.00 . A A . 12 ILE HD13 1 1 7 1603 1 1 12 ILE HG12 H 7.198 0.408 -1.986 1.00 . A A . 12 ILE HG12 1 1 7 1604 1 1 12 ILE HG13 H 8.486 1.480 -2.526 1.00 . A A . 12 ILE HG13 1 1 7 1605 1 1 12 ILE HG21 H 10.170 -1.038 -4.136 1.00 . A A . 12 ILE HG21 1 1 7 1606 1 1 12 ILE HG22 H 11.170 -0.708 -2.721 1.00 . A A . 12 ILE HG22 1 1 7 1607 1 1 12 ILE HG23 H 10.372 0.618 -3.564 1.00 . A A . 12 ILE HG23 1 1 7 1608 1 1 12 ILE N N 7.272 -2.150 -1.683 1.00 . A A . 12 ILE N 1 1 7 1609 1 1 12 ILE O O 9.799 -3.834 -3.163 1.00 . A A . 12 ILE O 1 1 7 1610 1 1 12 ILE OXT O 10.005 -3.066 -1.110 1.00 . A A . 12 ILE OXT 1 1 8 1611 1 1 1 HIS C C -9.743 0.321 -0.837 1.00 . A A . 1 HIS C 1 1 8 1612 1 1 1 HIS CA C -10.718 1.391 -1.336 1.00 . A A . 1 HIS CA 1 1 8 1613 1 1 1 HIS CB C -10.010 2.748 -1.439 1.00 . A A . 1 HIS CB 1 1 8 1614 1 1 1 HIS CD2 C -9.776 2.866 1.146 1.00 . A A . 1 HIS CD2 1 1 8 1615 1 1 1 HIS CE1 C -8.683 4.762 1.279 1.00 . A A . 1 HIS CE1 1 1 8 1616 1 1 1 HIS CG C -9.593 3.320 -0.118 1.00 . A A . 1 HIS CG 1 1 8 1617 1 1 1 HIS H1 H -12.028 2.541 -0.226 1.00 . A A . 1 HIS H1 1 1 8 1618 1 1 1 HIS H2 H -11.685 1.000 0.445 1.00 . A A . 1 HIS H2 1 1 8 1619 1 1 1 HIS H3 H -12.719 1.134 -0.917 1.00 . A A . 1 HIS H3 1 1 8 1620 1 1 1 HIS HA H -11.081 1.109 -2.311 1.00 . A A . 1 HIS HA 1 1 8 1621 1 1 1 HIS HB2 H -9.123 2.636 -2.045 1.00 . A A . 1 HIS HB2 1 1 8 1622 1 1 1 HIS HB3 H -10.676 3.456 -1.913 1.00 . A A . 1 HIS HB3 1 1 8 1623 1 1 1 HIS HD1 H -8.622 5.083 -0.740 1.00 . A A . 1 HIS HD1 1 1 8 1624 1 1 1 HIS HD2 H -10.285 1.958 1.434 1.00 . A A . 1 HIS HD2 1 1 8 1625 1 1 1 HIS HE1 H -8.166 5.625 1.672 1.00 . A A . 1 HIS HE1 1 1 8 1626 1 1 1 HIS HE2 H -9.102 3.674 2.963 1.00 . A A . 1 HIS HE2 1 1 8 1627 1 1 1 HIS N N -11.892 1.530 -0.427 1.00 . A A . 1 HIS N 1 1 8 1628 1 1 1 HIS ND1 N -8.906 4.509 0.001 1.00 . A A . 1 HIS ND1 1 1 8 1629 1 1 1 HIS NE2 N -9.202 3.781 1.994 1.00 . A A . 1 HIS NE2 1 1 8 1630 1 1 1 HIS O O -9.395 0.291 0.343 1.00 . A A . 1 HIS O 1 1 8 1631 1 1 2 PRO C C -7.115 -1.151 -0.689 1.00 . A A . 2 PRO C 1 1 8 1632 1 1 2 PRO CA C -8.366 -1.656 -1.380 1.00 . A A . 2 PRO CA 1 1 8 1633 1 1 2 PRO CB C -7.996 -2.278 -2.737 1.00 . A A . 2 PRO CB 1 1 8 1634 1 1 2 PRO CD C -9.650 -0.647 -3.149 1.00 . A A . 2 PRO CD 1 1 8 1635 1 1 2 PRO CG C -8.432 -1.273 -3.744 1.00 . A A . 2 PRO CG 1 1 8 1636 1 1 2 PRO HA H -8.842 -2.401 -0.760 1.00 . A A . 2 PRO HA 1 1 8 1637 1 1 2 PRO HB2 H -6.929 -2.447 -2.782 1.00 . A A . 2 PRO HB2 1 1 8 1638 1 1 2 PRO HB3 H -8.519 -3.214 -2.863 1.00 . A A . 2 PRO HB3 1 1 8 1639 1 1 2 PRO HD2 H -9.825 0.335 -3.562 1.00 . A A . 2 PRO HD2 1 1 8 1640 1 1 2 PRO HD3 H -10.498 -1.290 -3.293 1.00 . A A . 2 PRO HD3 1 1 8 1641 1 1 2 PRO HG2 H -7.658 -0.534 -3.890 1.00 . A A . 2 PRO HG2 1 1 8 1642 1 1 2 PRO HG3 H -8.675 -1.762 -4.676 1.00 . A A . 2 PRO HG3 1 1 8 1643 1 1 2 PRO N N -9.293 -0.581 -1.730 1.00 . A A . 2 PRO N 1 1 8 1644 1 1 2 PRO O O -7.030 0.004 -0.270 1.00 . A A . 2 PRO O 1 1 8 1645 1 1 3 LEU C C -3.844 -1.203 -0.946 1.00 . A A . 3 LEU C 1 1 8 1646 1 1 3 LEU CA C -4.872 -1.723 0.056 1.00 . A A . 3 LEU CA 1 1 8 1647 1 1 3 LEU CB C -4.317 -2.944 0.798 1.00 . A A . 3 LEU CB 1 1 8 1648 1 1 3 LEU CD1 C -3.139 -4.002 -1.161 1.00 . A A . 3 LEU CD1 1 1 8 1649 1 1 3 LEU CD2 C -3.742 -5.383 0.835 1.00 . A A . 3 LEU CD2 1 1 8 1650 1 1 3 LEU CG C -4.153 -4.213 -0.045 1.00 . A A . 3 LEU CG 1 1 8 1651 1 1 3 LEU H H -6.293 -2.938 -0.948 1.00 . A A . 3 LEU H 1 1 8 1652 1 1 3 LEU HA H -5.066 -0.944 0.775 1.00 . A A . 3 LEU HA 1 1 8 1653 1 1 3 LEU HB2 H -3.348 -2.679 1.199 1.00 . A A . 3 LEU HB2 1 1 8 1654 1 1 3 LEU HB3 H -4.978 -3.169 1.621 1.00 . A A . 3 LEU HB3 1 1 8 1655 1 1 3 LEU HD11 H -3.604 -3.464 -1.972 1.00 . A A . 3 LEU HD11 1 1 8 1656 1 1 3 LEU HD12 H -2.792 -4.960 -1.515 1.00 . A A . 3 LEU HD12 1 1 8 1657 1 1 3 LEU HD13 H -2.303 -3.433 -0.783 1.00 . A A . 3 LEU HD13 1 1 8 1658 1 1 3 LEU HD21 H -3.888 -6.307 0.297 1.00 . A A . 3 LEU HD21 1 1 8 1659 1 1 3 LEU HD22 H -4.344 -5.389 1.731 1.00 . A A . 3 LEU HD22 1 1 8 1660 1 1 3 LEU HD23 H -2.700 -5.284 1.102 1.00 . A A . 3 LEU HD23 1 1 8 1661 1 1 3 LEU HG H -5.101 -4.455 -0.500 1.00 . A A . 3 LEU HG 1 1 8 1662 1 1 3 LEU N N -6.145 -2.041 -0.581 1.00 . A A . 3 LEU N 1 1 8 1663 1 1 3 LEU O O -2.642 -1.224 -0.677 1.00 . A A . 3 LEU O 1 1 8 1664 1 1 4 LYS C C -2.527 0.882 -2.593 1.00 . A A . 4 LYS C 1 1 8 1665 1 1 4 LYS CA C -3.413 -0.231 -3.132 1.00 . A A . 4 LYS CA 1 1 8 1666 1 1 4 LYS CB C -4.210 0.292 -4.319 1.00 . A A . 4 LYS CB 1 1 8 1667 1 1 4 LYS CD C -5.834 -0.196 -6.164 1.00 . A A . 4 LYS CD 1 1 8 1668 1 1 4 LYS CE C -6.670 -1.263 -6.849 1.00 . A A . 4 LYS CE 1 1 8 1669 1 1 4 LYS CG C -5.097 -0.755 -4.959 1.00 . A A . 4 LYS CG 1 1 8 1670 1 1 4 LYS H H -5.275 -0.752 -2.269 1.00 . A A . 4 LYS H 1 1 8 1671 1 1 4 LYS HA H -2.790 -1.045 -3.458 1.00 . A A . 4 LYS HA 1 1 8 1672 1 1 4 LYS HB2 H -4.832 1.109 -3.989 1.00 . A A . 4 LYS HB2 1 1 8 1673 1 1 4 LYS HB3 H -3.518 0.651 -5.062 1.00 . A A . 4 LYS HB3 1 1 8 1674 1 1 4 LYS HD2 H -6.486 0.602 -5.837 1.00 . A A . 4 LYS HD2 1 1 8 1675 1 1 4 LYS HD3 H -5.113 0.191 -6.868 1.00 . A A . 4 LYS HD3 1 1 8 1676 1 1 4 LYS HE2 H -6.016 -2.058 -7.172 1.00 . A A . 4 LYS HE2 1 1 8 1677 1 1 4 LYS HE3 H -7.385 -1.651 -6.140 1.00 . A A . 4 LYS HE3 1 1 8 1678 1 1 4 LYS HG2 H -4.487 -1.588 -5.275 1.00 . A A . 4 LYS HG2 1 1 8 1679 1 1 4 LYS HG3 H -5.819 -1.089 -4.228 1.00 . A A . 4 LYS HG3 1 1 8 1680 1 1 4 LYS HZ1 H -8.323 -1.195 -8.125 1.00 . A A . 4 LYS HZ1 1 1 8 1681 1 1 4 LYS HZ2 H -6.848 -0.890 -8.896 1.00 . A A . 4 LYS HZ2 1 1 8 1682 1 1 4 LYS HZ3 H -7.553 0.298 -7.921 1.00 . A A . 4 LYS HZ3 1 1 8 1683 1 1 4 LYS N N -4.311 -0.743 -2.102 1.00 . A A . 4 LYS N 1 1 8 1684 1 1 4 LYS NZ N -7.399 -0.725 -8.031 1.00 . A A . 4 LYS NZ 1 1 8 1685 1 1 4 LYS O O -1.450 1.149 -3.120 1.00 . A A . 4 LYS O 1 1 8 1686 1 1 5 GLN C C -1.318 2.108 0.157 1.00 . A A . 5 GLN C 1 1 8 1687 1 1 5 GLN CA C -2.244 2.618 -0.938 1.00 . A A . 5 GLN CA 1 1 8 1688 1 1 5 GLN CB C -3.202 3.646 -0.360 1.00 . A A . 5 GLN CB 1 1 8 1689 1 1 5 GLN CD C -5.150 4.084 1.189 1.00 . A A . 5 GLN CD 1 1 8 1690 1 1 5 GLN CG C -4.226 3.042 0.585 1.00 . A A . 5 GLN CG 1 1 8 1691 1 1 5 GLN H H -3.859 1.278 -1.174 1.00 . A A . 5 GLN H 1 1 8 1692 1 1 5 GLN HA H -1.650 3.087 -1.709 1.00 . A A . 5 GLN HA 1 1 8 1693 1 1 5 GLN HB2 H -2.629 4.380 0.182 1.00 . A A . 5 GLN HB2 1 1 8 1694 1 1 5 GLN HB3 H -3.724 4.128 -1.170 1.00 . A A . 5 GLN HB3 1 1 8 1695 1 1 5 GLN HE21 H -4.540 3.590 3.021 1.00 . A A . 5 GLN HE21 1 1 8 1696 1 1 5 GLN HE22 H -5.732 4.858 2.930 1.00 . A A . 5 GLN HE22 1 1 8 1697 1 1 5 GLN HG2 H -4.825 2.328 0.034 1.00 . A A . 5 GLN HG2 1 1 8 1698 1 1 5 GLN HG3 H -3.706 2.532 1.383 1.00 . A A . 5 GLN HG3 1 1 8 1699 1 1 5 GLN N N -2.991 1.532 -1.547 1.00 . A A . 5 GLN N 1 1 8 1700 1 1 5 GLN NE2 N -5.140 4.187 2.512 1.00 . A A . 5 GLN NE2 1 1 8 1701 1 1 5 GLN O O -0.703 2.895 0.877 1.00 . A A . 5 GLN O 1 1 8 1702 1 1 5 GLN OE1 O -5.864 4.786 0.474 1.00 . A A . 5 GLN OE1 1 1 8 1703 1 1 6 TYR C C 1.049 -0.037 0.765 1.00 . A A . 6 TYR C 1 1 8 1704 1 1 6 TYR CA C -0.355 0.197 1.294 1.00 . A A . 6 TYR CA 1 1 8 1705 1 1 6 TYR CB C -0.950 -1.108 1.822 1.00 . A A . 6 TYR CB 1 1 8 1706 1 1 6 TYR CD1 C -3.298 -0.254 2.190 1.00 . A A . 6 TYR CD1 1 1 8 1707 1 1 6 TYR CD2 C -2.210 -1.367 3.993 1.00 . A A . 6 TYR CD2 1 1 8 1708 1 1 6 TYR CE1 C -4.417 -0.063 2.980 1.00 . A A . 6 TYR CE1 1 1 8 1709 1 1 6 TYR CE2 C -3.325 -1.182 4.788 1.00 . A A . 6 TYR CE2 1 1 8 1710 1 1 6 TYR CG C -2.177 -0.907 2.683 1.00 . A A . 6 TYR CG 1 1 8 1711 1 1 6 TYR CZ C -4.426 -0.530 4.276 1.00 . A A . 6 TYR CZ 1 1 8 1712 1 1 6 TYR H H -1.726 0.208 -0.325 1.00 . A A . 6 TYR H 1 1 8 1713 1 1 6 TYR HA H -0.293 0.898 2.105 1.00 . A A . 6 TYR HA 1 1 8 1714 1 1 6 TYR HB2 H -1.230 -1.733 0.986 1.00 . A A . 6 TYR HB2 1 1 8 1715 1 1 6 TYR HB3 H -0.208 -1.622 2.416 1.00 . A A . 6 TYR HB3 1 1 8 1716 1 1 6 TYR HD1 H -3.290 0.108 1.172 1.00 . A A . 6 TYR HD1 1 1 8 1717 1 1 6 TYR HD2 H -1.345 -1.877 4.391 1.00 . A A . 6 TYR HD2 1 1 8 1718 1 1 6 TYR HE1 H -5.280 0.447 2.578 1.00 . A A . 6 TYR HE1 1 1 8 1719 1 1 6 TYR HE2 H -3.330 -1.548 5.804 1.00 . A A . 6 TYR HE2 1 1 8 1720 1 1 6 TYR HH H -6.330 -0.468 4.534 1.00 . A A . 6 TYR HH 1 1 8 1721 1 1 6 TYR N N -1.216 0.790 0.280 1.00 . A A . 6 TYR N 1 1 8 1722 1 1 6 TYR O O 2.015 -0.041 1.526 1.00 . A A . 6 TYR O 1 1 8 1723 1 1 6 TYR OH O -5.538 -0.344 5.063 1.00 . A A . 6 TYR OH 1 1 8 1724 1 1 7 TRP C C 3.075 0.872 -1.614 1.00 . A A . 7 TRP C 1 1 8 1725 1 1 7 TRP CA C 2.459 -0.440 -1.155 1.00 . A A . 7 TRP CA 1 1 8 1726 1 1 7 TRP CB C 2.371 -1.435 -2.304 1.00 . A A . 7 TRP CB 1 1 8 1727 1 1 7 TRP CD1 C 0.039 -1.082 -3.266 1.00 . A A . 7 TRP CD1 1 1 8 1728 1 1 7 TRP CD2 C 1.705 -0.564 -4.644 1.00 . A A . 7 TRP CD2 1 1 8 1729 1 1 7 TRP CE2 C 0.498 -0.337 -5.320 1.00 . A A . 7 TRP CE2 1 1 8 1730 1 1 7 TRP CE3 C 2.903 -0.308 -5.285 1.00 . A A . 7 TRP CE3 1 1 8 1731 1 1 7 TRP CG C 1.391 -1.056 -3.354 1.00 . A A . 7 TRP CG 1 1 8 1732 1 1 7 TRP CH2 C 1.659 0.391 -7.243 1.00 . A A . 7 TRP CH2 1 1 8 1733 1 1 7 TRP CZ2 C 0.460 0.141 -6.627 1.00 . A A . 7 TRP CZ2 1 1 8 1734 1 1 7 TRP CZ3 C 2.876 0.172 -6.580 1.00 . A A . 7 TRP CZ3 1 1 8 1735 1 1 7 TRP H H 0.359 -0.186 -1.100 1.00 . A A . 7 TRP H 1 1 8 1736 1 1 7 TRP HA H 3.096 -0.851 -0.403 1.00 . A A . 7 TRP HA 1 1 8 1737 1 1 7 TRP HB2 H 3.339 -1.522 -2.770 1.00 . A A . 7 TRP HB2 1 1 8 1738 1 1 7 TRP HB3 H 2.081 -2.400 -1.909 1.00 . A A . 7 TRP HB3 1 1 8 1739 1 1 7 TRP HD1 H -0.501 -1.403 -2.383 1.00 . A A . 7 TRP HD1 1 1 8 1740 1 1 7 TRP HE1 H -1.473 -0.614 -4.656 1.00 . A A . 7 TRP HE1 1 1 8 1741 1 1 7 TRP HE3 H 3.838 -0.468 -4.772 1.00 . A A . 7 TRP HE3 1 1 8 1742 1 1 7 TRP HH2 H 1.681 0.765 -8.255 1.00 . A A . 7 TRP HH2 1 1 8 1743 1 1 7 TRP HZ2 H -0.470 0.314 -7.148 1.00 . A A . 7 TRP HZ2 1 1 8 1744 1 1 7 TRP HZ3 H 3.802 0.379 -7.098 1.00 . A A . 7 TRP HZ3 1 1 8 1745 1 1 7 TRP N N 1.160 -0.221 -0.541 1.00 . A A . 7 TRP N 1 1 8 1746 1 1 7 TRP NE1 N -0.516 -0.671 -4.459 1.00 . A A . 7 TRP NE1 1 1 8 1747 1 1 7 TRP O O 3.399 1.047 -2.789 1.00 . A A . 7 TRP O 1 1 8 1748 1 1 8 TRP C C 5.155 3.267 -0.289 1.00 . A A . 8 TRP C 1 1 8 1749 1 1 8 TRP CA C 3.799 3.099 -0.963 1.00 . A A . 8 TRP CA 1 1 8 1750 1 1 8 TRP CB C 2.854 4.190 -0.466 1.00 . A A . 8 TRP CB 1 1 8 1751 1 1 8 TRP CD1 C 3.414 6.025 -2.165 1.00 . A A . 8 TRP CD1 1 1 8 1752 1 1 8 TRP CD2 C 3.585 6.669 -0.026 1.00 . A A . 8 TRP CD2 1 1 8 1753 1 1 8 TRP CE2 C 3.917 7.760 -0.852 1.00 . A A . 8 TRP CE2 1 1 8 1754 1 1 8 TRP CE3 C 3.621 6.838 1.361 1.00 . A A . 8 TRP CE3 1 1 8 1755 1 1 8 TRP CG C 3.267 5.568 -0.886 1.00 . A A . 8 TRP CG 1 1 8 1756 1 1 8 TRP CH2 C 4.305 9.139 1.026 1.00 . A A . 8 TRP CH2 1 1 8 1757 1 1 8 TRP CZ2 C 4.279 9.001 -0.335 1.00 . A A . 8 TRP CZ2 1 1 8 1758 1 1 8 TRP CZ3 C 3.981 8.071 1.873 1.00 . A A . 8 TRP CZ3 1 1 8 1759 1 1 8 TRP H H 2.943 1.587 0.241 1.00 . A A . 8 TRP H 1 1 8 1760 1 1 8 TRP HA H 3.917 3.189 -2.032 1.00 . A A . 8 TRP HA 1 1 8 1761 1 1 8 TRP HB2 H 1.867 4.000 -0.846 1.00 . A A . 8 TRP HB2 1 1 8 1762 1 1 8 TRP HB3 H 2.829 4.166 0.613 1.00 . A A . 8 TRP HB3 1 1 8 1763 1 1 8 TRP HD1 H 3.246 5.427 -3.047 1.00 . A A . 8 TRP HD1 1 1 8 1764 1 1 8 TRP HE1 H 3.976 7.892 -2.944 1.00 . A A . 8 TRP HE1 1 1 8 1765 1 1 8 TRP HE3 H 3.374 6.027 2.028 1.00 . A A . 8 TRP HE3 1 1 8 1766 1 1 8 TRP HH2 H 4.582 10.083 1.470 1.00 . A A . 8 TRP HH2 1 1 8 1767 1 1 8 TRP HZ2 H 4.532 9.835 -0.975 1.00 . A A . 8 TRP HZ2 1 1 8 1768 1 1 8 TRP HZ3 H 4.014 8.219 2.942 1.00 . A A . 8 TRP HZ3 1 1 8 1769 1 1 8 TRP N N 3.228 1.792 -0.673 1.00 . A A . 8 TRP N 1 1 8 1770 1 1 8 TRP NE1 N 3.806 7.341 -2.152 1.00 . A A . 8 TRP NE1 1 1 8 1771 1 1 8 TRP O O 5.961 4.099 -0.698 1.00 . A A . 8 TRP O 1 1 8 1772 1 1 9 ARG C C 6.948 1.211 2.227 1.00 . A A . 9 ARG C 1 1 8 1773 1 1 9 ARG CA C 6.634 2.532 1.514 1.00 . A A . 9 ARG CA 1 1 8 1774 1 1 9 ARG CB C 6.589 3.664 2.550 1.00 . A A . 9 ARG CB 1 1 8 1775 1 1 9 ARG CD C 7.835 5.509 1.341 1.00 . A A . 9 ARG CD 1 1 8 1776 1 1 9 ARG CG C 6.515 5.072 1.968 1.00 . A A . 9 ARG CG 1 1 8 1777 1 1 9 ARG CZ C 9.316 4.905 -0.533 1.00 . A A . 9 ARG CZ 1 1 8 1778 1 1 9 ARG H H 4.697 1.844 1.018 1.00 . A A . 9 ARG H 1 1 8 1779 1 1 9 ARG HA H 7.422 2.729 0.824 1.00 . A A . 9 ARG HA 1 1 8 1780 1 1 9 ARG HB2 H 5.725 3.523 3.180 1.00 . A A . 9 ARG HB2 1 1 8 1781 1 1 9 ARG HB3 H 7.475 3.602 3.163 1.00 . A A . 9 ARG HB3 1 1 8 1782 1 1 9 ARG HD2 H 7.762 6.555 1.081 1.00 . A A . 9 ARG HD2 1 1 8 1783 1 1 9 ARG HD3 H 8.622 5.380 2.072 1.00 . A A . 9 ARG HD3 1 1 8 1784 1 1 9 ARG HE H 7.522 4.108 -0.192 1.00 . A A . 9 ARG HE 1 1 8 1785 1 1 9 ARG HG2 H 5.745 5.096 1.213 1.00 . A A . 9 ARG HG2 1 1 8 1786 1 1 9 ARG HG3 H 6.260 5.760 2.760 1.00 . A A . 9 ARG HG3 1 1 8 1787 1 1 9 ARG HH11 H 10.073 6.303 0.717 1.00 . A A . 9 ARG HH11 1 1 8 1788 1 1 9 ARG HH12 H 11.088 5.876 -0.620 1.00 . A A . 9 ARG HH12 1 1 8 1789 1 1 9 ARG HH21 H 8.852 3.542 -1.950 1.00 . A A . 9 ARG HH21 1 1 8 1790 1 1 9 ARG HH22 H 10.394 4.309 -2.136 1.00 . A A . 9 ARG HH22 1 1 8 1791 1 1 9 ARG N N 5.386 2.475 0.754 1.00 . A A . 9 ARG N 1 1 8 1792 1 1 9 ARG NE N 8.179 4.751 0.141 1.00 . A A . 9 ARG NE 1 1 8 1793 1 1 9 ARG NH1 N 10.234 5.766 -0.110 1.00 . A A . 9 ARG NH1 1 1 8 1794 1 1 9 ARG NH2 N 9.539 4.194 -1.629 1.00 . A A . 9 ARG NH2 1 1 8 1795 1 1 9 ARG O O 8.086 0.743 2.187 1.00 . A A . 9 ARG O 1 1 8 1796 1 1 10 PRO C C 5.880 -1.877 2.806 1.00 . A A . 10 PRO C 1 1 8 1797 1 1 10 PRO CA C 6.161 -0.639 3.641 1.00 . A A . 10 PRO CA 1 1 8 1798 1 1 10 PRO CB C 5.170 -0.516 4.800 1.00 . A A . 10 PRO CB 1 1 8 1799 1 1 10 PRO CD C 4.585 1.073 3.045 1.00 . A A . 10 PRO CD 1 1 8 1800 1 1 10 PRO CG C 4.146 0.498 4.371 1.00 . A A . 10 PRO CG 1 1 8 1801 1 1 10 PRO HA H 7.163 -0.706 4.024 1.00 . A A . 10 PRO HA 1 1 8 1802 1 1 10 PRO HB2 H 4.714 -1.479 4.984 1.00 . A A . 10 PRO HB2 1 1 8 1803 1 1 10 PRO HB3 H 5.694 -0.191 5.686 1.00 . A A . 10 PRO HB3 1 1 8 1804 1 1 10 PRO HD2 H 3.970 0.681 2.252 1.00 . A A . 10 PRO HD2 1 1 8 1805 1 1 10 PRO HD3 H 4.544 2.153 3.053 1.00 . A A . 10 PRO HD3 1 1 8 1806 1 1 10 PRO HG2 H 3.190 0.012 4.256 1.00 . A A . 10 PRO HG2 1 1 8 1807 1 1 10 PRO HG3 H 4.077 1.281 5.112 1.00 . A A . 10 PRO HG3 1 1 8 1808 1 1 10 PRO N N 5.962 0.603 2.909 1.00 . A A . 10 PRO N 1 1 8 1809 1 1 10 PRO O O 6.719 -2.771 2.717 1.00 . A A . 10 PRO O 1 1 8 1810 1 1 11 SER C C 5.015 -2.902 -0.040 1.00 . A A . 11 SER C 1 1 8 1811 1 1 11 SER CA C 4.364 -3.054 1.333 1.00 . A A . 11 SER CA 1 1 8 1812 1 1 11 SER CB C 2.844 -3.166 1.190 1.00 . A A . 11 SER CB 1 1 8 1813 1 1 11 SER H H 4.086 -1.180 2.269 1.00 . A A . 11 SER H 1 1 8 1814 1 1 11 SER HA H 4.743 -3.949 1.803 1.00 . A A . 11 SER HA 1 1 8 1815 1 1 11 SER HB2 H 2.457 -2.260 0.753 1.00 . A A . 11 SER HB2 1 1 8 1816 1 1 11 SER HB3 H 2.607 -4.005 0.553 1.00 . A A . 11 SER HB3 1 1 8 1817 1 1 11 SER HG H 1.422 -2.842 2.498 1.00 . A A . 11 SER HG 1 1 8 1818 1 1 11 SER N N 4.715 -1.924 2.178 1.00 . A A . 11 SER N 1 1 8 1819 1 1 11 SER O O 4.565 -3.495 -1.020 1.00 . A A . 11 SER O 1 1 8 1820 1 1 11 SER OG O 2.228 -3.361 2.451 1.00 . A A . 11 SER OG 1 1 8 1821 1 1 12 ILE C C 5.895 -1.127 -2.355 1.00 . A A . 12 ILE C 1 1 8 1822 1 1 12 ILE CA C 6.790 -1.857 -1.355 1.00 . A A . 12 ILE CA 1 1 8 1823 1 1 12 ILE CB C 7.304 -3.173 -1.989 1.00 . A A . 12 ILE CB 1 1 8 1824 1 1 12 ILE CD1 C 7.720 -4.307 0.260 1.00 . A A . 12 ILE CD1 1 1 8 1825 1 1 12 ILE CG1 C 8.305 -3.873 -1.065 1.00 . A A . 12 ILE CG1 1 1 8 1826 1 1 12 ILE CG2 C 7.944 -2.900 -3.343 1.00 . A A . 12 ILE CG2 1 1 8 1827 1 1 12 ILE H H 6.389 -1.642 0.717 1.00 . A A . 12 ILE H 1 1 8 1828 1 1 12 ILE HA H 7.643 -1.233 -1.135 1.00 . A A . 12 ILE HA 1 1 8 1829 1 1 12 ILE HB H 6.456 -3.824 -2.148 1.00 . A A . 12 ILE HB 1 1 8 1830 1 1 12 ILE HD11 H 8.343 -5.076 0.694 1.00 . A A . 12 ILE HD11 1 1 8 1831 1 1 12 ILE HD12 H 6.725 -4.698 0.102 1.00 . A A . 12 ILE HD12 1 1 8 1832 1 1 12 ILE HD13 H 7.673 -3.462 0.926 1.00 . A A . 12 ILE HD13 1 1 8 1833 1 1 12 ILE HG12 H 8.687 -4.752 -1.561 1.00 . A A . 12 ILE HG12 1 1 8 1834 1 1 12 ILE HG13 H 9.124 -3.198 -0.860 1.00 . A A . 12 ILE HG13 1 1 8 1835 1 1 12 ILE HG21 H 8.378 -1.911 -3.344 1.00 . A A . 12 ILE HG21 1 1 8 1836 1 1 12 ILE HG22 H 7.193 -2.965 -4.117 1.00 . A A . 12 ILE HG22 1 1 8 1837 1 1 12 ILE HG23 H 8.717 -3.632 -3.531 1.00 . A A . 12 ILE HG23 1 1 8 1838 1 1 12 ILE N N 6.077 -2.095 -0.102 1.00 . A A . 12 ILE N 1 1 8 1839 1 1 12 ILE O O 5.459 -1.765 -3.338 1.00 . A A . 12 ILE O 1 1 8 1840 1 1 12 ILE OXT O 5.640 0.077 -2.149 1.00 . A A . 12 ILE OXT 1 1 9 1841 1 1 1 HIS C C -9.738 -0.476 -2.600 1.00 . A A . 1 HIS C 1 1 9 1842 1 1 1 HIS CA C -10.479 0.042 -3.832 1.00 . A A . 1 HIS CA 1 1 9 1843 1 1 1 HIS CB C -9.898 1.389 -4.262 1.00 . A A . 1 HIS CB 1 1 9 1844 1 1 1 HIS CD2 C -9.984 2.235 -6.712 1.00 . A A . 1 HIS CD2 1 1 9 1845 1 1 1 HIS CE1 C -12.120 2.714 -6.813 1.00 . A A . 1 HIS CE1 1 1 9 1846 1 1 1 HIS CG C -10.523 1.941 -5.506 1.00 . A A . 1 HIS CG 1 1 9 1847 1 1 1 HIS H1 H -12.427 0.238 -4.465 1.00 . A A . 1 HIS H1 1 1 9 1848 1 1 1 HIS H2 H -12.047 1.114 -3.039 1.00 . A A . 1 HIS H2 1 1 9 1849 1 1 1 HIS H3 H -12.240 -0.590 -2.976 1.00 . A A . 1 HIS H3 1 1 9 1850 1 1 1 HIS HA H -10.370 -0.666 -4.637 1.00 . A A . 1 HIS HA 1 1 9 1851 1 1 1 HIS HB2 H -10.048 2.107 -3.470 1.00 . A A . 1 HIS HB2 1 1 9 1852 1 1 1 HIS HB3 H -8.840 1.274 -4.445 1.00 . A A . 1 HIS HB3 1 1 9 1853 1 1 1 HIS HD1 H -12.527 2.156 -4.885 1.00 . A A . 1 HIS HD1 1 1 9 1854 1 1 1 HIS HD2 H -8.948 2.114 -6.997 1.00 . A A . 1 HIS HD2 1 1 9 1855 1 1 1 HIS HE1 H -13.086 3.036 -7.175 1.00 . A A . 1 HIS HE1 1 1 9 1856 1 1 1 HIS HE2 H -10.882 3.115 -8.392 1.00 . A A . 1 HIS HE2 1 1 9 1857 1 1 1 HIS N N -11.929 0.217 -3.552 1.00 . A A . 1 HIS N 1 1 9 1858 1 1 1 HIS ND1 N -11.863 2.254 -5.601 1.00 . A A . 1 HIS ND1 1 1 9 1859 1 1 1 HIS NE2 N -10.996 2.712 -7.505 1.00 . A A . 1 HIS NE2 1 1 9 1860 1 1 1 HIS O O -9.826 0.114 -1.525 1.00 . A A . 1 HIS O 1 1 9 1861 1 1 2 PRO C C -7.224 -1.219 -1.045 1.00 . A A . 2 PRO C 1 1 9 1862 1 1 2 PRO CA C -8.243 -2.181 -1.629 1.00 . A A . 2 PRO CA 1 1 9 1863 1 1 2 PRO CB C -7.528 -3.379 -2.276 1.00 . A A . 2 PRO CB 1 1 9 1864 1 1 2 PRO CD C -8.823 -2.377 -3.965 1.00 . A A . 2 PRO CD 1 1 9 1865 1 1 2 PRO CG C -7.512 -3.053 -3.724 1.00 . A A . 2 PRO CG 1 1 9 1866 1 1 2 PRO HA H -8.899 -2.529 -0.846 1.00 . A A . 2 PRO HA 1 1 9 1867 1 1 2 PRO HB2 H -6.528 -3.470 -1.879 1.00 . A A . 2 PRO HB2 1 1 9 1868 1 1 2 PRO HB3 H -8.084 -4.284 -2.081 1.00 . A A . 2 PRO HB3 1 1 9 1869 1 1 2 PRO HD2 H -8.778 -1.745 -4.838 1.00 . A A . 2 PRO HD2 1 1 9 1870 1 1 2 PRO HD3 H -9.601 -3.109 -4.055 1.00 . A A . 2 PRO HD3 1 1 9 1871 1 1 2 PRO HG2 H -6.689 -2.385 -3.944 1.00 . A A . 2 PRO HG2 1 1 9 1872 1 1 2 PRO HG3 H -7.438 -3.959 -4.309 1.00 . A A . 2 PRO HG3 1 1 9 1873 1 1 2 PRO N N -8.994 -1.590 -2.736 1.00 . A A . 2 PRO N 1 1 9 1874 1 1 2 PRO O O -7.289 -0.007 -1.253 1.00 . A A . 2 PRO O 1 1 9 1875 1 1 3 LEU C C -3.995 -0.895 -0.584 1.00 . A A . 3 LEU C 1 1 9 1876 1 1 3 LEU CA C -5.219 -1.016 0.319 1.00 . A A . 3 LEU CA 1 1 9 1877 1 1 3 LEU CB C -4.834 -1.658 1.657 1.00 . A A . 3 LEU CB 1 1 9 1878 1 1 3 LEU CD1 C -3.211 -3.361 0.747 1.00 . A A . 3 LEU CD1 1 1 9 1879 1 1 3 LEU CD2 C -4.242 -3.691 3.000 1.00 . A A . 3 LEU CD2 1 1 9 1880 1 1 3 LEU CG C -4.455 -3.144 1.596 1.00 . A A . 3 LEU CG 1 1 9 1881 1 1 3 LEU H H -6.301 -2.754 -0.206 1.00 . A A . 3 LEU H 1 1 9 1882 1 1 3 LEU HA H -5.607 -0.028 0.508 1.00 . A A . 3 LEU HA 1 1 9 1883 1 1 3 LEU HB2 H -3.994 -1.115 2.061 1.00 . A A . 3 LEU HB2 1 1 9 1884 1 1 3 LEU HB3 H -5.667 -1.552 2.334 1.00 . A A . 3 LEU HB3 1 1 9 1885 1 1 3 LEU HD11 H -2.825 -4.353 0.922 1.00 . A A . 3 LEU HD11 1 1 9 1886 1 1 3 LEU HD12 H -2.460 -2.631 1.013 1.00 . A A . 3 LEU HD12 1 1 9 1887 1 1 3 LEU HD13 H -3.464 -3.254 -0.297 1.00 . A A . 3 LEU HD13 1 1 9 1888 1 1 3 LEU HD21 H -5.169 -4.103 3.368 1.00 . A A . 3 LEU HD21 1 1 9 1889 1 1 3 LEU HD22 H -3.918 -2.893 3.651 1.00 . A A . 3 LEU HD22 1 1 9 1890 1 1 3 LEU HD23 H -3.488 -4.464 2.975 1.00 . A A . 3 LEU HD23 1 1 9 1891 1 1 3 LEU HG H -5.265 -3.695 1.144 1.00 . A A . 3 LEU HG 1 1 9 1892 1 1 3 LEU N N -6.281 -1.785 -0.315 1.00 . A A . 3 LEU N 1 1 9 1893 1 1 3 LEU O O -2.873 -0.754 -0.103 1.00 . A A . 3 LEU O 1 1 9 1894 1 1 4 LYS C C -2.306 0.377 -2.654 1.00 . A A . 4 LYS C 1 1 9 1895 1 1 4 LYS CA C -3.124 -0.886 -2.850 1.00 . A A . 4 LYS CA 1 1 9 1896 1 1 4 LYS CB C -3.699 -0.913 -4.250 1.00 . A A . 4 LYS CB 1 1 9 1897 1 1 4 LYS CD C -4.786 0.333 -6.150 1.00 . A A . 4 LYS CD 1 1 9 1898 1 1 4 LYS CE C -5.919 -0.659 -6.347 1.00 . A A . 4 LYS CE 1 1 9 1899 1 1 4 LYS CG C -4.338 0.398 -4.697 1.00 . A A . 4 LYS CG 1 1 9 1900 1 1 4 LYS H H -5.115 -1.094 -2.230 1.00 . A A . 4 LYS H 1 1 9 1901 1 1 4 LYS HA H -2.492 -1.742 -2.709 1.00 . A A . 4 LYS HA 1 1 9 1902 1 1 4 LYS HB2 H -2.927 -1.173 -4.939 1.00 . A A . 4 LYS HB2 1 1 9 1903 1 1 4 LYS HB3 H -4.454 -1.671 -4.268 1.00 . A A . 4 LYS HB3 1 1 9 1904 1 1 4 LYS HD2 H -5.123 1.312 -6.455 1.00 . A A . 4 LYS HD2 1 1 9 1905 1 1 4 LYS HD3 H -3.947 0.033 -6.762 1.00 . A A . 4 LYS HD3 1 1 9 1906 1 1 4 LYS HE2 H -6.140 -0.729 -7.402 1.00 . A A . 4 LYS HE2 1 1 9 1907 1 1 4 LYS HE3 H -5.604 -1.625 -5.980 1.00 . A A . 4 LYS HE3 1 1 9 1908 1 1 4 LYS HG2 H -5.196 0.600 -4.075 1.00 . A A . 4 LYS HG2 1 1 9 1909 1 1 4 LYS HG3 H -3.615 1.194 -4.588 1.00 . A A . 4 LYS HG3 1 1 9 1910 1 1 4 LYS HZ1 H -7.149 -0.640 -4.659 1.00 . A A . 4 LYS HZ1 1 1 9 1911 1 1 4 LYS HZ2 H -7.993 -0.579 -6.125 1.00 . A A . 4 LYS HZ2 1 1 9 1912 1 1 4 LYS HZ3 H -7.190 0.794 -5.553 1.00 . A A . 4 LYS HZ3 1 1 9 1913 1 1 4 LYS N N -4.208 -0.967 -1.893 1.00 . A A . 4 LYS N 1 1 9 1914 1 1 4 LYS NZ N -7.149 -0.242 -5.619 1.00 . A A . 4 LYS NZ 1 1 9 1915 1 1 4 LYS O O -1.114 0.419 -2.944 1.00 . A A . 4 LYS O 1 1 9 1916 1 1 5 GLN C C -1.649 2.679 -0.542 1.00 . A A . 5 GLN C 1 1 9 1917 1 1 5 GLN CA C -2.286 2.666 -1.920 1.00 . A A . 5 GLN CA 1 1 9 1918 1 1 5 GLN CB C -3.263 3.826 -2.040 1.00 . A A . 5 GLN CB 1 1 9 1919 1 1 5 GLN CD C -5.392 4.907 -1.216 1.00 . A A . 5 GLN CD 1 1 9 1920 1 1 5 GLN CG C -4.440 3.735 -1.083 1.00 . A A . 5 GLN CG 1 1 9 1921 1 1 5 GLN H H -3.912 1.308 -1.945 1.00 . A A . 5 GLN H 1 1 9 1922 1 1 5 GLN HA H -1.514 2.779 -2.664 1.00 . A A . 5 GLN HA 1 1 9 1923 1 1 5 GLN HB2 H -2.729 4.741 -1.837 1.00 . A A . 5 GLN HB2 1 1 9 1924 1 1 5 GLN HB3 H -3.643 3.855 -3.048 1.00 . A A . 5 GLN HB3 1 1 9 1925 1 1 5 GLN HE21 H -5.085 5.396 0.691 1.00 . A A . 5 GLN HE21 1 1 9 1926 1 1 5 GLN HE22 H -6.192 6.417 -0.190 1.00 . A A . 5 GLN HE22 1 1 9 1927 1 1 5 GLN HG2 H -4.983 2.825 -1.288 1.00 . A A . 5 GLN HG2 1 1 9 1928 1 1 5 GLN HG3 H -4.062 3.708 -0.071 1.00 . A A . 5 GLN HG3 1 1 9 1929 1 1 5 GLN N N -2.959 1.404 -2.159 1.00 . A A . 5 GLN N 1 1 9 1930 1 1 5 GLN NE2 N -5.575 5.648 -0.129 1.00 . A A . 5 GLN NE2 1 1 9 1931 1 1 5 GLN O O -1.103 3.695 -0.111 1.00 . A A . 5 GLN O 1 1 9 1932 1 1 5 GLN OE1 O -5.959 5.144 -2.283 1.00 . A A . 5 GLN OE1 1 1 9 1933 1 1 6 TYR C C 0.304 1.004 1.458 1.00 . A A . 6 TYR C 1 1 9 1934 1 1 6 TYR CA C -1.144 1.465 1.489 1.00 . A A . 6 TYR CA 1 1 9 1935 1 1 6 TYR CB C -1.975 0.554 2.393 1.00 . A A . 6 TYR CB 1 1 9 1936 1 1 6 TYR CD1 C -4.237 1.477 1.751 1.00 . A A . 6 TYR CD1 1 1 9 1937 1 1 6 TYR CD2 C -3.701 1.323 4.068 1.00 . A A . 6 TYR CD2 1 1 9 1938 1 1 6 TYR CE1 C -5.473 2.003 2.069 1.00 . A A . 6 TYR CE1 1 1 9 1939 1 1 6 TYR CE2 C -4.936 1.849 4.394 1.00 . A A . 6 TYR CE2 1 1 9 1940 1 1 6 TYR CG C -3.329 1.128 2.743 1.00 . A A . 6 TYR CG 1 1 9 1941 1 1 6 TYR CZ C -5.819 2.187 3.390 1.00 . A A . 6 TYR CZ 1 1 9 1942 1 1 6 TYR H H -2.178 0.760 -0.241 1.00 . A A . 6 TYR H 1 1 9 1943 1 1 6 TYR HA H -1.164 2.455 1.898 1.00 . A A . 6 TYR HA 1 1 9 1944 1 1 6 TYR HB2 H -2.131 -0.392 1.899 1.00 . A A . 6 TYR HB2 1 1 9 1945 1 1 6 TYR HB3 H -1.438 0.388 3.315 1.00 . A A . 6 TYR HB3 1 1 9 1946 1 1 6 TYR HD1 H -3.964 1.330 0.716 1.00 . A A . 6 TYR HD1 1 1 9 1947 1 1 6 TYR HD2 H -3.006 1.058 4.852 1.00 . A A . 6 TYR HD2 1 1 9 1948 1 1 6 TYR HE1 H -6.165 2.268 1.281 1.00 . A A . 6 TYR HE1 1 1 9 1949 1 1 6 TYR HE2 H -5.207 1.993 5.430 1.00 . A A . 6 TYR HE2 1 1 9 1950 1 1 6 TYR HH H -7.706 2.010 3.715 1.00 . A A . 6 TYR HH 1 1 9 1951 1 1 6 TYR N N -1.722 1.549 0.153 1.00 . A A . 6 TYR N 1 1 9 1952 1 1 6 TYR O O 1.075 1.309 2.370 1.00 . A A . 6 TYR O 1 1 9 1953 1 1 6 TYR OH O -7.051 2.712 3.708 1.00 . A A . 6 TYR OH 1 1 9 1954 1 1 7 TRP C C 2.899 0.797 -0.492 1.00 . A A . 7 TRP C 1 1 9 1955 1 1 7 TRP CA C 2.051 -0.184 0.290 1.00 . A A . 7 TRP CA 1 1 9 1956 1 1 7 TRP CB C 2.118 -1.578 -0.317 1.00 . A A . 7 TRP CB 1 1 9 1957 1 1 7 TRP CD1 C 0.120 -1.668 -1.892 1.00 . A A . 7 TRP CD1 1 1 9 1958 1 1 7 TRP CD2 C 2.102 -1.797 -2.893 1.00 . A A . 7 TRP CD2 1 1 9 1959 1 1 7 TRP CE2 C 1.112 -1.879 -3.884 1.00 . A A . 7 TRP CE2 1 1 9 1960 1 1 7 TRP CE3 C 3.434 -1.844 -3.259 1.00 . A A . 7 TRP CE3 1 1 9 1961 1 1 7 TRP CG C 1.451 -1.686 -1.641 1.00 . A A . 7 TRP CG 1 1 9 1962 1 1 7 TRP CH2 C 2.751 -2.051 -5.575 1.00 . A A . 7 TRP CH2 1 1 9 1963 1 1 7 TRP CZ2 C 1.423 -2.009 -5.234 1.00 . A A . 7 TRP CZ2 1 1 9 1964 1 1 7 TRP CZ3 C 3.755 -1.968 -4.598 1.00 . A A . 7 TRP CZ3 1 1 9 1965 1 1 7 TRP H H 0.042 0.094 -0.297 1.00 . A A . 7 TRP H 1 1 9 1966 1 1 7 TRP HA H 2.450 -0.230 1.280 1.00 . A A . 7 TRP HA 1 1 9 1967 1 1 7 TRP HB2 H 3.153 -1.858 -0.445 1.00 . A A . 7 TRP HB2 1 1 9 1968 1 1 7 TRP HB3 H 1.643 -2.278 0.355 1.00 . A A . 7 TRP HB3 1 1 9 1969 1 1 7 TRP HD1 H -0.637 -1.577 -1.123 1.00 . A A . 7 TRP HD1 1 1 9 1970 1 1 7 TRP HE1 H -0.976 -1.838 -3.684 1.00 . A A . 7 TRP HE1 1 1 9 1971 1 1 7 TRP HE3 H 4.206 -1.770 -2.508 1.00 . A A . 7 TRP HE3 1 1 9 1972 1 1 7 TRP HH2 H 3.043 -2.147 -6.610 1.00 . A A . 7 TRP HH2 1 1 9 1973 1 1 7 TRP HZ2 H 0.660 -2.072 -5.996 1.00 . A A . 7 TRP HZ2 1 1 9 1974 1 1 7 TRP HZ3 H 4.790 -2.005 -4.903 1.00 . A A . 7 TRP HZ3 1 1 9 1975 1 1 7 TRP N N 0.683 0.287 0.412 1.00 . A A . 7 TRP N 1 1 9 1976 1 1 7 TRP NE1 N -0.101 -1.806 -3.247 1.00 . A A . 7 TRP NE1 1 1 9 1977 1 1 7 TRP O O 3.468 0.463 -1.532 1.00 . A A . 7 TRP O 1 1 9 1978 1 1 8 TRP C C 5.245 2.851 -0.365 1.00 . A A . 8 TRP C 1 1 9 1979 1 1 8 TRP CA C 3.755 3.058 -0.607 1.00 . A A . 8 TRP CA 1 1 9 1980 1 1 8 TRP CB C 3.319 4.416 -0.065 1.00 . A A . 8 TRP CB 1 1 9 1981 1 1 8 TRP CD1 C 3.992 5.870 -2.065 1.00 . A A . 8 TRP CD1 1 1 9 1982 1 1 8 TRP CD2 C 4.763 6.606 -0.095 1.00 . A A . 8 TRP CD2 1 1 9 1983 1 1 8 TRP CE2 C 5.199 7.484 -1.103 1.00 . A A . 8 TRP CE2 1 1 9 1984 1 1 8 TRP CE3 C 5.124 6.869 1.230 1.00 . A A . 8 TRP CE3 1 1 9 1985 1 1 8 TRP CG C 3.995 5.576 -0.732 1.00 . A A . 8 TRP CG 1 1 9 1986 1 1 8 TRP CH2 C 6.317 8.840 0.476 1.00 . A A . 8 TRP CH2 1 1 9 1987 1 1 8 TRP CZ2 C 5.979 8.606 -0.829 1.00 . A A . 8 TRP CZ2 1 1 9 1988 1 1 8 TRP CZ3 C 5.898 7.983 1.501 1.00 . A A . 8 TRP CZ3 1 1 9 1989 1 1 8 TRP H H 2.495 2.202 0.854 1.00 . A A . 8 TRP H 1 1 9 1990 1 1 8 TRP HA H 3.564 3.025 -1.668 1.00 . A A . 8 TRP HA 1 1 9 1991 1 1 8 TRP HB2 H 2.258 4.517 -0.205 1.00 . A A . 8 TRP HB2 1 1 9 1992 1 1 8 TRP HB3 H 3.542 4.461 0.991 1.00 . A A . 8 TRP HB3 1 1 9 1993 1 1 8 TRP HD1 H 3.494 5.276 -2.818 1.00 . A A . 8 TRP HD1 1 1 9 1994 1 1 8 TRP HE1 H 4.865 7.427 -3.174 1.00 . A A . 8 TRP HE1 1 1 9 1995 1 1 8 TRP HE3 H 4.811 6.220 2.035 1.00 . A A . 8 TRP HE3 1 1 9 1996 1 1 8 TRP HH2 H 6.920 9.697 0.733 1.00 . A A . 8 TRP HH2 1 1 9 1997 1 1 8 TRP HZ2 H 6.309 9.277 -1.608 1.00 . A A . 8 TRP HZ2 1 1 9 1998 1 1 8 TRP HZ3 H 6.187 8.202 2.518 1.00 . A A . 8 TRP HZ3 1 1 9 1999 1 1 8 TRP N N 2.977 2.008 0.024 1.00 . A A . 8 TRP N 1 1 9 2000 1 1 8 TRP NE1 N 4.717 7.014 -2.297 1.00 . A A . 8 TRP NE1 1 1 9 2001 1 1 8 TRP O O 6.062 3.091 -1.254 1.00 . A A . 8 TRP O 1 1 9 2002 1 1 9 ARG C C 7.275 0.916 1.992 1.00 . A A . 9 ARG C 1 1 9 2003 1 1 9 ARG CA C 7.004 2.197 1.179 1.00 . A A . 9 ARG CA 1 1 9 2004 1 1 9 ARG CB C 7.543 3.403 1.948 1.00 . A A . 9 ARG CB 1 1 9 2005 1 1 9 ARG CD C 8.422 4.602 -0.079 1.00 . A A . 9 ARG CD 1 1 9 2006 1 1 9 ARG CG C 7.524 4.694 1.145 1.00 . A A . 9 ARG CG 1 1 9 2007 1 1 9 ARG CZ C 8.860 7.006 -0.428 1.00 . A A . 9 ARG CZ 1 1 9 2008 1 1 9 ARG H H 4.904 2.252 1.515 1.00 . A A . 9 ARG H 1 1 9 2009 1 1 9 ARG HA H 7.548 2.123 0.249 1.00 . A A . 9 ARG HA 1 1 9 2010 1 1 9 ARG HB2 H 6.942 3.546 2.834 1.00 . A A . 9 ARG HB2 1 1 9 2011 1 1 9 ARG HB3 H 8.561 3.201 2.243 1.00 . A A . 9 ARG HB3 1 1 9 2012 1 1 9 ARG HD2 H 9.433 4.409 0.246 1.00 . A A . 9 ARG HD2 1 1 9 2013 1 1 9 ARG HD3 H 8.081 3.786 -0.698 1.00 . A A . 9 ARG HD3 1 1 9 2014 1 1 9 ARG HE H 8.024 5.787 -1.770 1.00 . A A . 9 ARG HE 1 1 9 2015 1 1 9 ARG HG2 H 6.513 4.891 0.823 1.00 . A A . 9 ARG HG2 1 1 9 2016 1 1 9 ARG HG3 H 7.867 5.503 1.775 1.00 . A A . 9 ARG HG3 1 1 9 2017 1 1 9 ARG HH11 H 9.514 6.293 1.349 1.00 . A A . 9 ARG HH11 1 1 9 2018 1 1 9 ARG HH12 H 9.763 7.986 1.092 1.00 . A A . 9 ARG HH12 1 1 9 2019 1 1 9 ARG HH21 H 8.354 8.014 -2.105 1.00 . A A . 9 ARG HH21 1 1 9 2020 1 1 9 ARG HH22 H 9.104 8.964 -0.865 1.00 . A A . 9 ARG HH22 1 1 9 2021 1 1 9 ARG N N 5.598 2.414 0.842 1.00 . A A . 9 ARG N 1 1 9 2022 1 1 9 ARG NE N 8.407 5.832 -0.868 1.00 . A A . 9 ARG NE 1 1 9 2023 1 1 9 ARG NH1 N 9.424 7.103 0.770 1.00 . A A . 9 ARG NH1 1 1 9 2024 1 1 9 ARG NH2 N 8.765 8.082 -1.195 1.00 . A A . 9 ARG NH2 1 1 9 2025 1 1 9 ARG O O 8.372 0.769 2.528 1.00 . A A . 9 ARG O 1 1 9 2026 1 1 10 PRO C C 7.562 -2.197 2.181 1.00 . A A . 10 PRO C 1 1 9 2027 1 1 10 PRO CA C 6.568 -1.274 2.873 1.00 . A A . 10 PRO CA 1 1 9 2028 1 1 10 PRO CB C 5.193 -1.931 2.924 1.00 . A A . 10 PRO CB 1 1 9 2029 1 1 10 PRO CD C 4.963 -0.031 1.530 1.00 . A A . 10 PRO CD 1 1 9 2030 1 1 10 PRO CG C 4.535 -1.464 1.679 1.00 . A A . 10 PRO CG 1 1 9 2031 1 1 10 PRO HA H 6.914 -1.061 3.872 1.00 . A A . 10 PRO HA 1 1 9 2032 1 1 10 PRO HB2 H 5.302 -3.006 2.942 1.00 . A A . 10 PRO HB2 1 1 9 2033 1 1 10 PRO HB3 H 4.661 -1.599 3.803 1.00 . A A . 10 PRO HB3 1 1 9 2034 1 1 10 PRO HD2 H 4.979 0.262 0.489 1.00 . A A . 10 PRO HD2 1 1 9 2035 1 1 10 PRO HD3 H 4.308 0.613 2.097 1.00 . A A . 10 PRO HD3 1 1 9 2036 1 1 10 PRO HG2 H 4.875 -2.051 0.838 1.00 . A A . 10 PRO HG2 1 1 9 2037 1 1 10 PRO HG3 H 3.465 -1.533 1.782 1.00 . A A . 10 PRO HG3 1 1 9 2038 1 1 10 PRO N N 6.323 -0.040 2.109 1.00 . A A . 10 PRO N 1 1 9 2039 1 1 10 PRO O O 8.189 -3.042 2.820 1.00 . A A . 10 PRO O 1 1 9 2040 1 1 11 SER C C 10.052 -2.706 0.580 1.00 . A A . 11 SER C 1 1 9 2041 1 1 11 SER CA C 8.613 -2.854 0.088 1.00 . A A . 11 SER CA 1 1 9 2042 1 1 11 SER CB C 8.526 -2.475 -1.391 1.00 . A A . 11 SER CB 1 1 9 2043 1 1 11 SER H H 7.168 -1.345 0.417 1.00 . A A . 11 SER H 1 1 9 2044 1 1 11 SER HA H 8.312 -3.883 0.202 1.00 . A A . 11 SER HA 1 1 9 2045 1 1 11 SER HB2 H 7.516 -2.628 -1.742 1.00 . A A . 11 SER HB2 1 1 9 2046 1 1 11 SER HB3 H 8.792 -1.434 -1.509 1.00 . A A . 11 SER HB3 1 1 9 2047 1 1 11 SER HG H 9.041 -4.146 -2.271 1.00 . A A . 11 SER HG 1 1 9 2048 1 1 11 SER N N 7.696 -2.033 0.870 1.00 . A A . 11 SER N 1 1 9 2049 1 1 11 SER O O 10.922 -3.496 0.209 1.00 . A A . 11 SER O 1 1 9 2050 1 1 11 SER OG O 9.405 -3.264 -2.172 1.00 . A A . 11 SER OG 1 1 9 2051 1 1 12 ILE C C 11.752 -1.965 3.377 1.00 . A A . 12 ILE C 1 1 9 2052 1 1 12 ILE CA C 11.643 -1.466 1.940 1.00 . A A . 12 ILE CA 1 1 9 2053 1 1 12 ILE CB C 12.025 0.031 1.887 1.00 . A A . 12 ILE CB 1 1 9 2054 1 1 12 ILE CD1 C 10.617 0.491 -0.191 1.00 . A A . 12 ILE CD1 1 1 9 2055 1 1 12 ILE CG1 C 11.987 0.553 0.447 1.00 . A A . 12 ILE CG1 1 1 9 2056 1 1 12 ILE CG2 C 13.408 0.249 2.489 1.00 . A A . 12 ILE CG2 1 1 9 2057 1 1 12 ILE H H 9.576 -1.095 1.676 1.00 . A A . 12 ILE H 1 1 9 2058 1 1 12 ILE HA H 12.341 -2.016 1.325 1.00 . A A . 12 ILE HA 1 1 9 2059 1 1 12 ILE HB H 11.313 0.582 2.483 1.00 . A A . 12 ILE HB 1 1 9 2060 1 1 12 ILE HD11 H 10.482 -0.472 -0.662 1.00 . A A . 12 ILE HD11 1 1 9 2061 1 1 12 ILE HD12 H 10.530 1.271 -0.935 1.00 . A A . 12 ILE HD12 1 1 9 2062 1 1 12 ILE HD13 H 9.859 0.630 0.565 1.00 . A A . 12 ILE HD13 1 1 9 2063 1 1 12 ILE HG12 H 12.307 1.585 0.437 1.00 . A A . 12 ILE HG12 1 1 9 2064 1 1 12 ILE HG13 H 12.662 -0.033 -0.158 1.00 . A A . 12 ILE HG13 1 1 9 2065 1 1 12 ILE HG21 H 13.419 -0.111 3.508 1.00 . A A . 12 ILE HG21 1 1 9 2066 1 1 12 ILE HG22 H 13.644 1.302 2.476 1.00 . A A . 12 ILE HG22 1 1 9 2067 1 1 12 ILE HG23 H 14.141 -0.292 1.909 1.00 . A A . 12 ILE HG23 1 1 9 2068 1 1 12 ILE N N 10.304 -1.698 1.412 1.00 . A A . 12 ILE N 1 1 9 2069 1 1 12 ILE O O 12.091 -3.153 3.567 1.00 . A A . 12 ILE O 1 1 9 2070 1 1 12 ILE OXT O 11.499 -1.164 4.302 1.00 . A A . 12 ILE OXT 1 1 10 2071 1 1 1 HIS C C -9.773 0.134 -2.383 1.00 . A A . 1 HIS C 1 1 10 2072 1 1 1 HIS CA C -10.584 0.874 -3.444 1.00 . A A . 1 HIS CA 1 1 10 2073 1 1 1 HIS CB C -9.734 1.960 -4.103 1.00 . A A . 1 HIS CB 1 1 10 2074 1 1 1 HIS CD2 C -10.748 4.035 -5.286 1.00 . A A . 1 HIS CD2 1 1 10 2075 1 1 1 HIS CE1 C -11.563 3.029 -7.055 1.00 . A A . 1 HIS CE1 1 1 10 2076 1 1 1 HIS CG C -10.459 2.717 -5.172 1.00 . A A . 1 HIS CG 1 1 10 2077 1 1 1 HIS H1 H -12.315 1.972 -3.612 1.00 . A A . 1 HIS H1 1 1 10 2078 1 1 1 HIS H2 H -11.455 2.212 -2.147 1.00 . A A . 1 HIS H2 1 1 10 2079 1 1 1 HIS H3 H -12.349 0.767 -2.393 1.00 . A A . 1 HIS H3 1 1 10 2080 1 1 1 HIS HA H -10.908 0.171 -4.196 1.00 . A A . 1 HIS HA 1 1 10 2081 1 1 1 HIS HB2 H -9.418 2.668 -3.351 1.00 . A A . 1 HIS HB2 1 1 10 2082 1 1 1 HIS HB3 H -8.861 1.505 -4.548 1.00 . A A . 1 HIS HB3 1 1 10 2083 1 1 1 HIS HD1 H -10.941 1.159 -6.507 1.00 . A A . 1 HIS HD1 1 1 10 2084 1 1 1 HIS HD2 H -10.490 4.812 -4.578 1.00 . A A . 1 HIS HD2 1 1 10 2085 1 1 1 HIS HE1 H -12.058 2.848 -7.997 1.00 . A A . 1 HIS HE1 1 1 10 2086 1 1 1 HIS HE2 H -11.696 5.063 -6.853 1.00 . A A . 1 HIS HE2 1 1 10 2087 1 1 1 HIS N N -11.784 1.513 -2.845 1.00 . A A . 1 HIS N 1 1 10 2088 1 1 1 HIS ND1 N -10.984 2.115 -6.296 1.00 . A A . 1 HIS ND1 1 1 10 2089 1 1 1 HIS NE2 N -11.434 4.202 -6.464 1.00 . A A . 1 HIS NE2 1 1 10 2090 1 1 1 HIS O O -9.668 0.590 -1.245 1.00 . A A . 1 HIS O 1 1 10 2091 1 1 2 PRO C C -7.305 -1.047 -1.131 1.00 . A A . 2 PRO C 1 1 10 2092 1 1 2 PRO CA C -8.399 -1.839 -1.819 1.00 . A A . 2 PRO CA 1 1 10 2093 1 1 2 PRO CB C -7.775 -2.913 -2.727 1.00 . A A . 2 PRO CB 1 1 10 2094 1 1 2 PRO CD C -9.265 -1.662 -4.054 1.00 . A A . 2 PRO CD 1 1 10 2095 1 1 2 PRO CG C -7.963 -2.391 -4.107 1.00 . A A . 2 PRO CG 1 1 10 2096 1 1 2 PRO HA H -9.019 -2.314 -1.074 1.00 . A A . 2 PRO HA 1 1 10 2097 1 1 2 PRO HB2 H -6.728 -3.030 -2.486 1.00 . A A . 2 PRO HB2 1 1 10 2098 1 1 2 PRO HB3 H -8.290 -3.851 -2.587 1.00 . A A . 2 PRO HB3 1 1 10 2099 1 1 2 PRO HD2 H -9.335 -0.931 -4.847 1.00 . A A . 2 PRO HD2 1 1 10 2100 1 1 2 PRO HD3 H -10.079 -2.360 -4.092 1.00 . A A . 2 PRO HD3 1 1 10 2101 1 1 2 PRO HG2 H -7.161 -1.716 -4.361 1.00 . A A . 2 PRO HG2 1 1 10 2102 1 1 2 PRO HG3 H -8.015 -3.208 -4.812 1.00 . A A . 2 PRO HG3 1 1 10 2103 1 1 2 PRO N N -9.194 -1.027 -2.739 1.00 . A A . 2 PRO N 1 1 10 2104 1 1 2 PRO O O -7.250 0.180 -1.211 1.00 . A A . 2 PRO O 1 1 10 2105 1 1 3 LEU C C -4.069 -1.067 -0.614 1.00 . A A . 3 LEU C 1 1 10 2106 1 1 3 LEU CA C -5.318 -1.171 0.258 1.00 . A A . 3 LEU CA 1 1 10 2107 1 1 3 LEU CB C -5.010 -1.963 1.534 1.00 . A A . 3 LEU CB 1 1 10 2108 1 1 3 LEU CD1 C -3.487 -3.681 0.500 1.00 . A A . 3 LEU CD1 1 1 10 2109 1 1 3 LEU CD2 C -4.610 -4.156 2.682 1.00 . A A . 3 LEU CD2 1 1 10 2110 1 1 3 LEU CG C -4.736 -3.458 1.337 1.00 . A A . 3 LEU CG 1 1 10 2111 1 1 3 LEU H H -6.547 -2.747 -0.453 1.00 . A A . 3 LEU H 1 1 10 2112 1 1 3 LEU HA H -5.621 -0.177 0.536 1.00 . A A . 3 LEU HA 1 1 10 2113 1 1 3 LEU HB2 H -4.140 -1.522 2.002 1.00 . A A . 3 LEU HB2 1 1 10 2114 1 1 3 LEU HB3 H -5.848 -1.860 2.207 1.00 . A A . 3 LEU HB3 1 1 10 2115 1 1 3 LEU HD11 H -3.714 -3.506 -0.542 1.00 . A A . 3 LEU HD11 1 1 10 2116 1 1 3 LEU HD12 H -3.145 -4.698 0.627 1.00 . A A . 3 LEU HD12 1 1 10 2117 1 1 3 LEU HD13 H -2.713 -2.999 0.818 1.00 . A A . 3 LEU HD13 1 1 10 2118 1 1 3 LEU HD21 H -3.734 -3.791 3.196 1.00 . A A . 3 LEU HD21 1 1 10 2119 1 1 3 LEU HD22 H -4.519 -5.220 2.528 1.00 . A A . 3 LEU HD22 1 1 10 2120 1 1 3 LEU HD23 H -5.488 -3.952 3.278 1.00 . A A . 3 LEU HD23 1 1 10 2121 1 1 3 LEU HG H -5.571 -3.898 0.811 1.00 . A A . 3 LEU HG 1 1 10 2122 1 1 3 LEU N N -6.434 -1.775 -0.460 1.00 . A A . 3 LEU N 1 1 10 2123 1 1 3 LEU O O -2.958 -0.946 -0.100 1.00 . A A . 3 LEU O 1 1 10 2124 1 1 4 LYS C C -2.303 0.217 -2.629 1.00 . A A . 4 LYS C 1 1 10 2125 1 1 4 LYS CA C -3.121 -1.047 -2.853 1.00 . A A . 4 LYS CA 1 1 10 2126 1 1 4 LYS CB C -3.607 -1.079 -4.294 1.00 . A A . 4 LYS CB 1 1 10 2127 1 1 4 LYS CD C -4.759 -2.401 -6.120 1.00 . A A . 4 LYS CD 1 1 10 2128 1 1 4 LYS CE C -5.564 -1.207 -6.619 1.00 . A A . 4 LYS CE 1 1 10 2129 1 1 4 LYS CG C -4.428 -2.310 -4.631 1.00 . A A . 4 LYS CG 1 1 10 2130 1 1 4 LYS H H -5.153 -1.230 -2.288 1.00 . A A . 4 LYS H 1 1 10 2131 1 1 4 LYS HA H -2.493 -1.902 -2.675 1.00 . A A . 4 LYS HA 1 1 10 2132 1 1 4 LYS HB2 H -4.214 -0.206 -4.471 1.00 . A A . 4 LYS HB2 1 1 10 2133 1 1 4 LYS HB3 H -2.750 -1.048 -4.944 1.00 . A A . 4 LYS HB3 1 1 10 2134 1 1 4 LYS HD2 H -3.837 -2.454 -6.677 1.00 . A A . 4 LYS HD2 1 1 10 2135 1 1 4 LYS HD3 H -5.331 -3.302 -6.290 1.00 . A A . 4 LYS HD3 1 1 10 2136 1 1 4 LYS HE2 H -5.906 -1.416 -7.622 1.00 . A A . 4 LYS HE2 1 1 10 2137 1 1 4 LYS HE3 H -6.418 -1.071 -5.974 1.00 . A A . 4 LYS HE3 1 1 10 2138 1 1 4 LYS HG2 H -3.871 -3.187 -4.347 1.00 . A A . 4 LYS HG2 1 1 10 2139 1 1 4 LYS HG3 H -5.350 -2.272 -4.069 1.00 . A A . 4 LYS HG3 1 1 10 2140 1 1 4 LYS HZ1 H -4.915 0.554 -7.539 1.00 . A A . 4 LYS HZ1 1 1 10 2141 1 1 4 LYS HZ2 H -3.755 -0.160 -6.535 1.00 . A A . 4 LYS HZ2 1 1 10 2142 1 1 4 LYS HZ3 H -5.063 0.676 -5.859 1.00 . A A . 4 LYS HZ3 1 1 10 2143 1 1 4 LYS N N -4.248 -1.125 -1.929 1.00 . A A . 4 LYS N 1 1 10 2144 1 1 4 LYS NZ N -4.768 0.053 -6.638 1.00 . A A . 4 LYS NZ 1 1 10 2145 1 1 4 LYS O O -1.119 0.274 -2.954 1.00 . A A . 4 LYS O 1 1 10 2146 1 1 5 GLN C C -1.648 2.517 -0.435 1.00 . A A . 5 GLN C 1 1 10 2147 1 1 5 GLN CA C -2.276 2.495 -1.820 1.00 . A A . 5 GLN CA 1 1 10 2148 1 1 5 GLN CB C -3.266 3.640 -1.950 1.00 . A A . 5 GLN CB 1 1 10 2149 1 1 5 GLN CD C -5.468 4.627 -1.200 1.00 . A A . 5 GLN CD 1 1 10 2150 1 1 5 GLN CG C -4.507 3.459 -1.093 1.00 . A A . 5 GLN CG 1 1 10 2151 1 1 5 GLN H H -3.887 1.128 -1.851 1.00 . A A . 5 GLN H 1 1 10 2152 1 1 5 GLN HA H -1.498 2.620 -2.558 1.00 . A A . 5 GLN HA 1 1 10 2153 1 1 5 GLN HB2 H -2.775 4.552 -1.651 1.00 . A A . 5 GLN HB2 1 1 10 2154 1 1 5 GLN HB3 H -3.571 3.721 -2.981 1.00 . A A . 5 GLN HB3 1 1 10 2155 1 1 5 GLN HE21 H -5.310 4.960 0.759 1.00 . A A . 5 GLN HE21 1 1 10 2156 1 1 5 GLN HE22 H -6.364 6.039 -0.114 1.00 . A A . 5 GLN HE22 1 1 10 2157 1 1 5 GLN HG2 H -5.020 2.562 -1.410 1.00 . A A . 5 GLN HG2 1 1 10 2158 1 1 5 GLN HG3 H -4.202 3.352 -0.061 1.00 . A A . 5 GLN HG3 1 1 10 2159 1 1 5 GLN N N -2.942 1.230 -2.084 1.00 . A A . 5 GLN N 1 1 10 2160 1 1 5 GLN NE2 N -5.742 5.273 -0.072 1.00 . A A . 5 GLN NE2 1 1 10 2161 1 1 5 GLN O O -1.155 3.551 0.016 1.00 . A A . 5 GLN O 1 1 10 2162 1 1 5 GLN OE1 O -5.960 4.945 -2.281 1.00 . A A . 5 GLN OE1 1 1 10 2163 1 1 6 TYR C C 0.380 0.897 1.524 1.00 . A A . 6 TYR C 1 1 10 2164 1 1 6 TYR CA C -1.085 1.290 1.575 1.00 . A A . 6 TYR CA 1 1 10 2165 1 1 6 TYR CB C -1.867 0.305 2.448 1.00 . A A . 6 TYR CB 1 1 10 2166 1 1 6 TYR CD1 C -4.180 1.131 1.863 1.00 . A A . 6 TYR CD1 1 1 10 2167 1 1 6 TYR CD2 C -3.598 0.948 4.166 1.00 . A A . 6 TYR CD2 1 1 10 2168 1 1 6 TYR CE1 C -5.436 1.594 2.215 1.00 . A A . 6 TYR CE1 1 1 10 2169 1 1 6 TYR CE2 C -4.850 1.407 4.526 1.00 . A A . 6 TYR CE2 1 1 10 2170 1 1 6 TYR CG C -3.242 0.802 2.832 1.00 . A A . 6 TYR CG 1 1 10 2171 1 1 6 TYR CZ C -5.765 1.729 3.546 1.00 . A A . 6 TYR CZ 1 1 10 2172 1 1 6 TYR H H -2.065 0.576 -0.167 1.00 . A A . 6 TYR H 1 1 10 2173 1 1 6 TYR HA H -1.154 2.266 2.014 1.00 . A A . 6 TYR HA 1 1 10 2174 1 1 6 TYR HB2 H -1.988 -0.624 1.912 1.00 . A A . 6 TYR HB2 1 1 10 2175 1 1 6 TYR HB3 H -1.313 0.122 3.358 1.00 . A A . 6 TYR HB3 1 1 10 2176 1 1 6 TYR HD1 H -3.920 1.021 0.822 1.00 . A A . 6 TYR HD1 1 1 10 2177 1 1 6 TYR HD2 H -2.879 0.696 4.932 1.00 . A A . 6 TYR HD2 1 1 10 2178 1 1 6 TYR HE1 H -6.152 1.846 1.447 1.00 . A A . 6 TYR HE1 1 1 10 2179 1 1 6 TYR HE2 H -5.109 1.513 5.568 1.00 . A A . 6 TYR HE2 1 1 10 2180 1 1 6 TYR HH H -7.285 2.879 3.290 1.00 . A A . 6 TYR HH 1 1 10 2181 1 1 6 TYR N N -1.663 1.376 0.241 1.00 . A A . 6 TYR N 1 1 10 2182 1 1 6 TYR O O 1.156 1.240 2.416 1.00 . A A . 6 TYR O 1 1 10 2183 1 1 6 TYR OH O -7.013 2.189 3.899 1.00 . A A . 6 TYR OH 1 1 10 2184 1 1 7 TRP C C 2.931 0.774 -0.484 1.00 . A A . 7 TRP C 1 1 10 2185 1 1 7 TRP CA C 2.138 -0.232 0.319 1.00 . A A . 7 TRP CA 1 1 10 2186 1 1 7 TRP CB C 2.238 -1.622 -0.288 1.00 . A A . 7 TRP CB 1 1 10 2187 1 1 7 TRP CD1 C 0.210 -1.782 -1.817 1.00 . A A . 7 TRP CD1 1 1 10 2188 1 1 7 TRP CD2 C 2.174 -1.833 -2.864 1.00 . A A . 7 TRP CD2 1 1 10 2189 1 1 7 TRP CE2 C 1.165 -1.953 -3.830 1.00 . A A . 7 TRP CE2 1 1 10 2190 1 1 7 TRP CE3 C 3.499 -1.828 -3.260 1.00 . A A . 7 TRP CE3 1 1 10 2191 1 1 7 TRP CG C 1.547 -1.752 -1.596 1.00 . A A . 7 TRP CG 1 1 10 2192 1 1 7 TRP CH2 C 2.771 -2.057 -5.559 1.00 . A A . 7 TRP CH2 1 1 10 2193 1 1 7 TRP CZ2 C 1.451 -2.068 -5.189 1.00 . A A . 7 TRP CZ2 1 1 10 2194 1 1 7 TRP CZ3 C 3.793 -1.936 -4.605 1.00 . A A . 7 TRP CZ3 1 1 10 2195 1 1 7 TRP H H 0.106 -0.036 -0.215 1.00 . A A . 7 TRP H 1 1 10 2196 1 1 7 TRP HA H 2.564 -0.261 1.300 1.00 . A A . 7 TRP HA 1 1 10 2197 1 1 7 TRP HB2 H 3.277 -1.869 -0.436 1.00 . A A . 7 TRP HB2 1 1 10 2198 1 1 7 TRP HB3 H 1.798 -2.336 0.394 1.00 . A A . 7 TRP HB3 1 1 10 2199 1 1 7 TRP HD1 H -0.531 -1.720 -1.033 1.00 . A A . 7 TRP HD1 1 1 10 2200 1 1 7 TRP HE1 H -0.918 -1.994 -3.583 1.00 . A A . 7 TRP HE1 1 1 10 2201 1 1 7 TRP HE3 H 4.285 -1.726 -2.527 1.00 . A A . 7 TRP HE3 1 1 10 2202 1 1 7 TRP HH2 H 3.043 -2.141 -6.601 1.00 . A A . 7 TRP HH2 1 1 10 2203 1 1 7 TRP HZ2 H 0.674 -2.161 -5.932 1.00 . A A . 7 TRP HZ2 1 1 10 2204 1 1 7 TRP HZ3 H 4.821 -1.933 -4.935 1.00 . A A . 7 TRP HZ3 1 1 10 2205 1 1 7 TRP N N 0.759 0.187 0.474 1.00 . A A . 7 TRP N 1 1 10 2206 1 1 7 TRP NE1 N -0.036 -1.929 -3.167 1.00 . A A . 7 TRP NE1 1 1 10 2207 1 1 7 TRP O O 3.495 0.457 -1.532 1.00 . A A . 7 TRP O 1 1 10 2208 1 1 8 TRP C C 5.203 2.894 -0.397 1.00 . A A . 8 TRP C 1 1 10 2209 1 1 8 TRP CA C 3.702 3.060 -0.614 1.00 . A A . 8 TRP CA 1 1 10 2210 1 1 8 TRP CB C 3.223 4.401 -0.066 1.00 . A A . 8 TRP CB 1 1 10 2211 1 1 8 TRP CD1 C 3.959 5.841 -2.052 1.00 . A A . 8 TRP CD1 1 1 10 2212 1 1 8 TRP CD2 C 4.487 6.694 -0.051 1.00 . A A . 8 TRP CD2 1 1 10 2213 1 1 8 TRP CE2 C 4.949 7.573 -1.049 1.00 . A A . 8 TRP CE2 1 1 10 2214 1 1 8 TRP CE3 C 4.703 7.026 1.290 1.00 . A A . 8 TRP CE3 1 1 10 2215 1 1 8 TRP CG C 3.869 5.586 -0.714 1.00 . A A . 8 TRP CG 1 1 10 2216 1 1 8 TRP CH2 C 5.804 9.059 0.573 1.00 . A A . 8 TRP CH2 1 1 10 2217 1 1 8 TRP CZ2 C 5.610 8.761 -0.748 1.00 . A A . 8 TRP CZ2 1 1 10 2218 1 1 8 TRP CZ3 C 5.359 8.206 1.587 1.00 . A A . 8 TRP CZ3 1 1 10 2219 1 1 8 TRP H H 2.503 2.163 0.869 1.00 . A A . 8 TRP H 1 1 10 2220 1 1 8 TRP HA H 3.495 3.018 -1.672 1.00 . A A . 8 TRP HA 1 1 10 2221 1 1 8 TRP HB2 H 2.159 4.474 -0.214 1.00 . A A . 8 TRP HB2 1 1 10 2222 1 1 8 TRP HB3 H 3.436 4.443 0.992 1.00 . A A . 8 TRP HB3 1 1 10 2223 1 1 8 TRP HD1 H 3.578 5.187 -2.822 1.00 . A A . 8 TRP HD1 1 1 10 2224 1 1 8 TRP HE1 H 4.813 7.423 -3.138 1.00 . A A . 8 TRP HE1 1 1 10 2225 1 1 8 TRP HE3 H 4.366 6.379 2.086 1.00 . A A . 8 TRP HE3 1 1 10 2226 1 1 8 TRP HH2 H 6.313 9.969 0.851 1.00 . A A . 8 TRP HH2 1 1 10 2227 1 1 8 TRP HZ2 H 5.960 9.432 -1.519 1.00 . A A . 8 TRP HZ2 1 1 10 2228 1 1 8 TRP HZ3 H 5.534 8.478 2.618 1.00 . A A . 8 TRP HZ3 1 1 10 2229 1 1 8 TRP N N 2.975 1.986 0.029 1.00 . A A . 8 TRP N 1 1 10 2230 1 1 8 TRP NE1 N 4.617 7.028 -2.263 1.00 . A A . 8 TRP NE1 1 1 10 2231 1 1 8 TRP O O 5.998 3.132 -1.305 1.00 . A A . 8 TRP O 1 1 10 2232 1 1 9 ARG C C 7.351 1.065 1.936 1.00 . A A . 9 ARG C 1 1 10 2233 1 1 9 ARG CA C 7.007 2.334 1.130 1.00 . A A . 9 ARG CA 1 1 10 2234 1 1 9 ARG CB C 7.498 3.556 1.895 1.00 . A A . 9 ARG CB 1 1 10 2235 1 1 9 ARG CD C 7.829 6.045 1.805 1.00 . A A . 9 ARG CD 1 1 10 2236 1 1 9 ARG CG C 7.039 4.857 1.275 1.00 . A A . 9 ARG CG 1 1 10 2237 1 1 9 ARG CZ C 9.781 5.901 0.304 1.00 . A A . 9 ARG CZ 1 1 10 2238 1 1 9 ARG H H 4.921 2.353 1.506 1.00 . A A . 9 ARG H 1 1 10 2239 1 1 9 ARG HA H 7.539 2.292 0.193 1.00 . A A . 9 ARG HA 1 1 10 2240 1 1 9 ARG HB2 H 7.126 3.509 2.909 1.00 . A A . 9 ARG HB2 1 1 10 2241 1 1 9 ARG HB3 H 8.578 3.551 1.914 1.00 . A A . 9 ARG HB3 1 1 10 2242 1 1 9 ARG HD2 H 7.461 6.944 1.337 1.00 . A A . 9 ARG HD2 1 1 10 2243 1 1 9 ARG HD3 H 7.682 6.109 2.873 1.00 . A A . 9 ARG HD3 1 1 10 2244 1 1 9 ARG HE H 9.860 5.828 2.297 1.00 . A A . 9 ARG HE 1 1 10 2245 1 1 9 ARG HG2 H 7.151 4.789 0.209 1.00 . A A . 9 ARG HG2 1 1 10 2246 1 1 9 ARG HG3 H 5.995 5.002 1.512 1.00 . A A . 9 ARG HG3 1 1 10 2247 1 1 9 ARG HH11 H 8.022 6.199 -0.651 1.00 . A A . 9 ARG HH11 1 1 10 2248 1 1 9 ARG HH12 H 9.407 6.044 -1.678 1.00 . A A . 9 ARG HH12 1 1 10 2249 1 1 9 ARG HH21 H 11.679 5.632 0.944 1.00 . A A . 9 ARG HH21 1 1 10 2250 1 1 9 ARG HH22 H 11.482 5.726 -0.775 1.00 . A A . 9 ARG HH22 1 1 10 2251 1 1 9 ARG N N 5.590 2.502 0.817 1.00 . A A . 9 ARG N 1 1 10 2252 1 1 9 ARG NE N 9.259 5.920 1.529 1.00 . A A . 9 ARG NE 1 1 10 2253 1 1 9 ARG NH1 N 9.005 6.062 -0.762 1.00 . A A . 9 ARG NH1 1 1 10 2254 1 1 9 ARG NH2 N 11.086 5.740 0.144 1.00 . A A . 9 ARG NH2 1 1 10 2255 1 1 9 ARG O O 8.490 0.934 2.384 1.00 . A A . 9 ARG O 1 1 10 2256 1 1 10 PRO C C 7.682 -2.050 2.163 1.00 . A A . 10 PRO C 1 1 10 2257 1 1 10 PRO CA C 6.749 -1.112 2.918 1.00 . A A . 10 PRO CA 1 1 10 2258 1 1 10 PRO CB C 5.392 -1.778 3.122 1.00 . A A . 10 PRO CB 1 1 10 2259 1 1 10 PRO CD C 5.018 0.086 1.695 1.00 . A A . 10 PRO CD 1 1 10 2260 1 1 10 PRO CG C 4.599 -1.337 1.948 1.00 . A A . 10 PRO CG 1 1 10 2261 1 1 10 PRO HA H 7.187 -0.871 3.875 1.00 . A A . 10 PRO HA 1 1 10 2262 1 1 10 PRO HB2 H 5.511 -2.852 3.142 1.00 . A A . 10 PRO HB2 1 1 10 2263 1 1 10 PRO HB3 H 4.953 -1.438 4.048 1.00 . A A . 10 PRO HB3 1 1 10 2264 1 1 10 PRO HD2 H 4.948 0.325 0.643 1.00 . A A . 10 PRO HD2 1 1 10 2265 1 1 10 PRO HD3 H 4.415 0.761 2.280 1.00 . A A . 10 PRO HD3 1 1 10 2266 1 1 10 PRO HG2 H 4.828 -1.958 1.094 1.00 . A A . 10 PRO HG2 1 1 10 2267 1 1 10 PRO HG3 H 3.546 -1.386 2.180 1.00 . A A . 10 PRO HG3 1 1 10 2268 1 1 10 PRO N N 6.423 0.102 2.152 1.00 . A A . 10 PRO N 1 1 10 2269 1 1 10 PRO O O 8.355 -2.887 2.765 1.00 . A A . 10 PRO O 1 1 10 2270 1 1 11 SER C C 9.973 -2.134 -0.130 1.00 . A A . 11 SER C 1 1 10 2271 1 1 11 SER CA C 8.580 -2.743 0.012 1.00 . A A . 11 SER CA 1 1 10 2272 1 1 11 SER CB C 7.953 -2.937 -1.370 1.00 . A A . 11 SER CB 1 1 10 2273 1 1 11 SER H H 7.167 -1.221 0.417 1.00 . A A . 11 SER H 1 1 10 2274 1 1 11 SER HA H 8.669 -3.705 0.495 1.00 . A A . 11 SER HA 1 1 10 2275 1 1 11 SER HB2 H 8.599 -3.558 -1.972 1.00 . A A . 11 SER HB2 1 1 10 2276 1 1 11 SER HB3 H 6.992 -3.417 -1.263 1.00 . A A . 11 SER HB3 1 1 10 2277 1 1 11 SER HG H 7.608 -1.846 -2.961 1.00 . A A . 11 SER HG 1 1 10 2278 1 1 11 SER N N 7.724 -1.905 0.843 1.00 . A A . 11 SER N 1 1 10 2279 1 1 11 SER O O 10.697 -2.439 -1.077 1.00 . A A . 11 SER O 1 1 10 2280 1 1 11 SER OG O 7.773 -1.694 -2.027 1.00 . A A . 11 SER OG 1 1 10 2281 1 1 12 ILE C C 12.767 -1.643 1.034 1.00 . A A . 12 ILE C 1 1 10 2282 1 1 12 ILE CA C 11.654 -0.629 0.780 1.00 . A A . 12 ILE CA 1 1 10 2283 1 1 12 ILE CB C 11.753 0.503 1.822 1.00 . A A . 12 ILE CB 1 1 10 2284 1 1 12 ILE CD1 C 13.281 2.335 2.710 1.00 . A A . 12 ILE CD1 1 1 10 2285 1 1 12 ILE CG1 C 13.112 1.199 1.726 1.00 . A A . 12 ILE CG1 1 1 10 2286 1 1 12 ILE CG2 C 11.531 -0.047 3.222 1.00 . A A . 12 ILE CG2 1 1 10 2287 1 1 12 ILE H H 9.729 -1.062 1.548 1.00 . A A . 12 ILE H 1 1 10 2288 1 1 12 ILE HA H 11.790 -0.200 -0.202 1.00 . A A . 12 ILE HA 1 1 10 2289 1 1 12 ILE HB H 10.974 1.220 1.615 1.00 . A A . 12 ILE HB 1 1 10 2290 1 1 12 ILE HD11 H 14.320 2.411 2.999 1.00 . A A . 12 ILE HD11 1 1 10 2291 1 1 12 ILE HD12 H 12.677 2.146 3.585 1.00 . A A . 12 ILE HD12 1 1 10 2292 1 1 12 ILE HD13 H 12.966 3.261 2.248 1.00 . A A . 12 ILE HD13 1 1 10 2293 1 1 12 ILE HG12 H 13.894 0.478 1.918 1.00 . A A . 12 ILE HG12 1 1 10 2294 1 1 12 ILE HG13 H 13.236 1.600 0.731 1.00 . A A . 12 ILE HG13 1 1 10 2295 1 1 12 ILE HG21 H 12.484 -0.224 3.696 1.00 . A A . 12 ILE HG21 1 1 10 2296 1 1 12 ILE HG22 H 10.982 -0.976 3.161 1.00 . A A . 12 ILE HG22 1 1 10 2297 1 1 12 ILE HG23 H 10.966 0.667 3.805 1.00 . A A . 12 ILE HG23 1 1 10 2298 1 1 12 ILE N N 10.346 -1.272 0.814 1.00 . A A . 12 ILE N 1 1 10 2299 1 1 12 ILE O O 13.878 -1.446 0.499 1.00 . A A . 12 ILE O 1 1 10 2300 1 1 12 ILE OXT O 12.518 -2.624 1.765 1.00 . A A . 12 ILE OXT 1 1 11 2301 1 1 1 HIS C C -9.657 -0.409 -2.136 1.00 . A A . 1 HIS C 1 1 11 2302 1 1 1 HIS CA C -10.438 0.134 -3.332 1.00 . A A . 1 HIS CA 1 1 11 2303 1 1 1 HIS CB C -9.561 1.089 -4.145 1.00 . A A . 1 HIS CB 1 1 11 2304 1 1 1 HIS CD2 C -10.527 2.919 -5.710 1.00 . A A . 1 HIS CD2 1 1 11 2305 1 1 1 HIS CE1 C -11.279 1.612 -7.303 1.00 . A A . 1 HIS CE1 1 1 11 2306 1 1 1 HIS CG C -10.246 1.642 -5.357 1.00 . A A . 1 HIS CG 1 1 11 2307 1 1 1 HIS H1 H -11.349 1.793 -2.523 1.00 . A A . 1 HIS H1 1 1 11 2308 1 1 1 HIS H2 H -12.110 0.302 -2.145 1.00 . A A . 1 HIS H2 1 1 11 2309 1 1 1 HIS H3 H -12.273 0.979 -3.715 1.00 . A A . 1 HIS H3 1 1 11 2310 1 1 1 HIS HA H -10.743 -0.690 -3.958 1.00 . A A . 1 HIS HA 1 1 11 2311 1 1 1 HIS HB2 H -9.272 1.921 -3.520 1.00 . A A . 1 HIS HB2 1 1 11 2312 1 1 1 HIS HB3 H -8.676 0.564 -4.471 1.00 . A A . 1 HIS HB3 1 1 11 2313 1 1 1 HIS HD1 H -10.679 -0.130 -6.412 1.00 . A A . 1 HIS HD1 1 1 11 2314 1 1 1 HIS HD2 H -10.290 3.808 -5.144 1.00 . A A . 1 HIS HD2 1 1 11 2315 1 1 1 HIS HE1 H -11.741 1.266 -8.215 1.00 . A A . 1 HIS HE1 1 1 11 2316 1 1 1 HIS HE2 H -11.428 3.649 -7.461 1.00 . A A . 1 HIS HE2 1 1 11 2317 1 1 1 HIS N N -11.651 0.868 -2.890 1.00 . A A . 1 HIS N 1 1 11 2318 1 1 1 HIS ND1 N -10.731 0.849 -6.375 1.00 . A A . 1 HIS ND1 1 1 11 2319 1 1 1 HIS NE2 N -11.170 2.872 -6.922 1.00 . A A . 1 HIS NE2 1 1 11 2320 1 1 1 HIS O O -9.600 0.224 -1.083 1.00 . A A . 1 HIS O 1 1 11 2321 1 1 2 PRO C C -7.142 -1.345 -0.711 1.00 . A A . 2 PRO C 1 1 11 2322 1 1 2 PRO CA C -8.262 -2.233 -1.219 1.00 . A A . 2 PRO CA 1 1 11 2323 1 1 2 PRO CB C -7.674 -3.481 -1.902 1.00 . A A . 2 PRO CB 1 1 11 2324 1 1 2 PRO CD C -9.051 -2.427 -3.493 1.00 . A A . 2 PRO CD 1 1 11 2325 1 1 2 PRO CG C -7.775 -3.189 -3.356 1.00 . A A . 2 PRO CG 1 1 11 2326 1 1 2 PRO HA H -8.890 -2.534 -0.393 1.00 . A A . 2 PRO HA 1 1 11 2327 1 1 2 PRO HB2 H -6.648 -3.619 -1.597 1.00 . A A . 2 PRO HB2 1 1 11 2328 1 1 2 PRO HB3 H -8.255 -4.351 -1.634 1.00 . A A . 2 PRO HB3 1 1 11 2329 1 1 2 PRO HD2 H -9.051 -1.824 -4.389 1.00 . A A . 2 PRO HD2 1 1 11 2330 1 1 2 PRO HD3 H -9.885 -3.103 -3.480 1.00 . A A . 2 PRO HD3 1 1 11 2331 1 1 2 PRO HG2 H -6.934 -2.584 -3.672 1.00 . A A . 2 PRO HG2 1 1 11 2332 1 1 2 PRO HG3 H -7.818 -4.109 -3.920 1.00 . A A . 2 PRO HG3 1 1 11 2333 1 1 2 PRO N N -9.042 -1.596 -2.285 1.00 . A A . 2 PRO N 1 1 11 2334 1 1 2 PRO O O -7.139 -0.132 -0.927 1.00 . A A . 2 PRO O 1 1 11 2335 1 1 3 LEU C C -3.880 -1.222 -0.497 1.00 . A A . 3 LEU C 1 1 11 2336 1 1 3 LEU CA C -5.037 -1.259 0.500 1.00 . A A . 3 LEU CA 1 1 11 2337 1 1 3 LEU CB C -4.583 -1.884 1.823 1.00 . A A . 3 LEU CB 1 1 11 2338 1 1 3 LEU CD1 C -3.308 -3.806 0.820 1.00 . A A . 3 LEU CD1 1 1 11 2339 1 1 3 LEU CD2 C -4.038 -3.902 3.205 1.00 . A A . 3 LEU CD2 1 1 11 2340 1 1 3 LEU CG C -4.386 -3.403 1.811 1.00 . A A . 3 LEU CG 1 1 11 2341 1 1 3 LEU H H -6.259 -2.936 0.075 1.00 . A A . 3 LEU H 1 1 11 2342 1 1 3 LEU HA H -5.354 -0.247 0.689 1.00 . A A . 3 LEU HA 1 1 11 2343 1 1 3 LEU HB2 H -3.642 -1.425 2.099 1.00 . A A . 3 LEU HB2 1 1 11 2344 1 1 3 LEU HB3 H -5.315 -1.643 2.580 1.00 . A A . 3 LEU HB3 1 1 11 2345 1 1 3 LEU HD11 H -3.680 -3.681 -0.187 1.00 . A A . 3 LEU HD11 1 1 11 2346 1 1 3 LEU HD12 H -3.040 -4.839 0.978 1.00 . A A . 3 LEU HD12 1 1 11 2347 1 1 3 LEU HD13 H -2.437 -3.182 0.961 1.00 . A A . 3 LEU HD13 1 1 11 2348 1 1 3 LEU HD21 H -3.539 -3.119 3.754 1.00 . A A . 3 LEU HD21 1 1 11 2349 1 1 3 LEU HD22 H -3.385 -4.759 3.128 1.00 . A A . 3 LEU HD22 1 1 11 2350 1 1 3 LEU HD23 H -4.944 -4.185 3.722 1.00 . A A . 3 LEU HD23 1 1 11 2351 1 1 3 LEU HG H -5.309 -3.876 1.508 1.00 . A A . 3 LEU HG 1 1 11 2352 1 1 3 LEU N N -6.188 -1.969 -0.043 1.00 . A A . 3 LEU N 1 1 11 2353 1 1 3 LEU O O -2.714 -1.241 -0.106 1.00 . A A . 3 LEU O 1 1 11 2354 1 1 4 LYS C C -2.490 0.223 -2.869 1.00 . A A . 4 LYS C 1 1 11 2355 1 1 4 LYS CA C -3.204 -1.125 -2.833 1.00 . A A . 4 LYS CA 1 1 11 2356 1 1 4 LYS CB C -3.855 -1.396 -4.188 1.00 . A A . 4 LYS CB 1 1 11 2357 1 1 4 LYS CD C -3.582 -1.596 -6.678 1.00 . A A . 4 LYS CD 1 1 11 2358 1 1 4 LYS CE C -4.170 -2.998 -6.704 1.00 . A A . 4 LYS CE 1 1 11 2359 1 1 4 LYS CG C -2.890 -1.304 -5.357 1.00 . A A . 4 LYS CG 1 1 11 2360 1 1 4 LYS H H -5.157 -1.152 -2.031 1.00 . A A . 4 LYS H 1 1 11 2361 1 1 4 LYS HA H -2.480 -1.897 -2.631 1.00 . A A . 4 LYS HA 1 1 11 2362 1 1 4 LYS HB2 H -4.283 -2.388 -4.178 1.00 . A A . 4 LYS HB2 1 1 11 2363 1 1 4 LYS HB3 H -4.643 -0.674 -4.341 1.00 . A A . 4 LYS HB3 1 1 11 2364 1 1 4 LYS HD2 H -4.377 -0.882 -6.823 1.00 . A A . 4 LYS HD2 1 1 11 2365 1 1 4 LYS HD3 H -2.862 -1.503 -7.479 1.00 . A A . 4 LYS HD3 1 1 11 2366 1 1 4 LYS HE2 H -4.904 -3.082 -5.917 1.00 . A A . 4 LYS HE2 1 1 11 2367 1 1 4 LYS HE3 H -4.648 -3.156 -7.659 1.00 . A A . 4 LYS HE3 1 1 11 2368 1 1 4 LYS HG2 H -2.481 -0.306 -5.390 1.00 . A A . 4 LYS HG2 1 1 11 2369 1 1 4 LYS HG3 H -2.092 -2.018 -5.211 1.00 . A A . 4 LYS HG3 1 1 11 2370 1 1 4 LYS HZ1 H -2.410 -3.978 -7.256 1.00 . A A . 4 LYS HZ1 1 1 11 2371 1 1 4 LYS HZ2 H -3.558 -4.988 -6.532 1.00 . A A . 4 LYS HZ2 1 1 11 2372 1 1 4 LYS HZ3 H -2.661 -3.911 -5.585 1.00 . A A . 4 LYS HZ3 1 1 11 2373 1 1 4 LYS N N -4.212 -1.166 -1.781 1.00 . A A . 4 LYS N 1 1 11 2374 1 1 4 LYS NZ N -3.127 -4.041 -6.506 1.00 . A A . 4 LYS NZ 1 1 11 2375 1 1 4 LYS O O -1.389 0.339 -3.408 1.00 . A A . 4 LYS O 1 1 11 2376 1 1 5 GLN C C -1.693 2.827 -1.041 1.00 . A A . 5 GLN C 1 1 11 2377 1 1 5 GLN CA C -2.546 2.579 -2.284 1.00 . A A . 5 GLN CA 1 1 11 2378 1 1 5 GLN CB C -3.652 3.628 -2.376 1.00 . A A . 5 GLN CB 1 1 11 2379 1 1 5 GLN CD C -5.785 4.556 -1.392 1.00 . A A . 5 GLN CD 1 1 11 2380 1 1 5 GLN CG C -4.710 3.491 -1.295 1.00 . A A . 5 GLN CG 1 1 11 2381 1 1 5 GLN H H -4.002 1.084 -1.896 1.00 . A A . 5 GLN H 1 1 11 2382 1 1 5 GLN HA H -1.915 2.670 -3.148 1.00 . A A . 5 GLN HA 1 1 11 2383 1 1 5 GLN HB2 H -3.207 4.609 -2.291 1.00 . A A . 5 GLN HB2 1 1 11 2384 1 1 5 GLN HB3 H -4.134 3.543 -3.336 1.00 . A A . 5 GLN HB3 1 1 11 2385 1 1 5 GLN HE21 H -7.180 3.155 -1.642 1.00 . A A . 5 GLN HE21 1 1 11 2386 1 1 5 GLN HE22 H -7.747 4.804 -1.644 1.00 . A A . 5 GLN HE22 1 1 11 2387 1 1 5 GLN HG2 H -5.177 2.521 -1.390 1.00 . A A . 5 GLN HG2 1 1 11 2388 1 1 5 GLN HG3 H -4.233 3.567 -0.329 1.00 . A A . 5 GLN HG3 1 1 11 2389 1 1 5 GLN N N -3.123 1.239 -2.304 1.00 . A A . 5 GLN N 1 1 11 2390 1 1 5 GLN NE2 N -7.029 4.130 -1.578 1.00 . A A . 5 GLN NE2 1 1 11 2391 1 1 5 GLN O O -1.082 3.887 -0.901 1.00 . A A . 5 GLN O 1 1 11 2392 1 1 5 GLN OE1 O -5.501 5.751 -1.302 1.00 . A A . 5 GLN OE1 1 1 11 2393 1 1 6 TYR C C 0.539 1.461 0.947 1.00 . A A . 6 TYR C 1 1 11 2394 1 1 6 TYR CA C -0.888 1.985 1.094 1.00 . A A . 6 TYR CA 1 1 11 2395 1 1 6 TYR CB C -1.621 1.268 2.219 1.00 . A A . 6 TYR CB 1 1 11 2396 1 1 6 TYR CD1 C -2.963 2.965 3.520 1.00 . A A . 6 TYR CD1 1 1 11 2397 1 1 6 TYR CD2 C -4.099 1.582 1.952 1.00 . A A . 6 TYR CD2 1 1 11 2398 1 1 6 TYR CE1 C -4.153 3.597 3.834 1.00 . A A . 6 TYR CE1 1 1 11 2399 1 1 6 TYR CE2 C -5.293 2.207 2.256 1.00 . A A . 6 TYR CE2 1 1 11 2400 1 1 6 TYR CG C -2.921 1.944 2.581 1.00 . A A . 6 TYR CG 1 1 11 2401 1 1 6 TYR CZ C -5.315 3.213 3.200 1.00 . A A . 6 TYR CZ 1 1 11 2402 1 1 6 TYR H H -2.172 1.036 -0.299 1.00 . A A . 6 TYR H 1 1 11 2403 1 1 6 TYR HA H -0.839 3.036 1.335 1.00 . A A . 6 TYR HA 1 1 11 2404 1 1 6 TYR HB2 H -1.842 0.257 1.913 1.00 . A A . 6 TYR HB2 1 1 11 2405 1 1 6 TYR HB3 H -0.995 1.250 3.098 1.00 . A A . 6 TYR HB3 1 1 11 2406 1 1 6 TYR HD1 H -2.052 3.260 4.019 1.00 . A A . 6 TYR HD1 1 1 11 2407 1 1 6 TYR HD2 H -4.071 0.805 1.207 1.00 . A A . 6 TYR HD2 1 1 11 2408 1 1 6 TYR HE1 H -4.167 4.389 4.568 1.00 . A A . 6 TYR HE1 1 1 11 2409 1 1 6 TYR HE2 H -6.204 1.904 1.760 1.00 . A A . 6 TYR HE2 1 1 11 2410 1 1 6 TYR HH H -6.606 3.879 4.460 1.00 . A A . 6 TYR HH 1 1 11 2411 1 1 6 TYR N N -1.660 1.858 -0.139 1.00 . A A . 6 TYR N 1 1 11 2412 1 1 6 TYR O O 1.397 1.752 1.779 1.00 . A A . 6 TYR O 1 1 11 2413 1 1 6 TYR OH O -6.502 3.838 3.506 1.00 . A A . 6 TYR OH 1 1 11 2414 1 1 7 TRP C C 3.083 1.222 -0.784 1.00 . A A . 7 TRP C 1 1 11 2415 1 1 7 TRP CA C 2.110 0.139 -0.359 1.00 . A A . 7 TRP CA 1 1 11 2416 1 1 7 TRP CB C 2.032 -0.936 -1.437 1.00 . A A . 7 TRP CB 1 1 11 2417 1 1 7 TRP CD1 C -0.360 -1.839 -1.327 1.00 . A A . 7 TRP CD1 1 1 11 2418 1 1 7 TRP CD2 C 1.207 -3.269 -0.659 1.00 . A A . 7 TRP CD2 1 1 11 2419 1 1 7 TRP CE2 C -0.038 -3.908 -0.560 1.00 . A A . 7 TRP CE2 1 1 11 2420 1 1 7 TRP CE3 C 2.349 -3.949 -0.289 1.00 . A A . 7 TRP CE3 1 1 11 2421 1 1 7 TRP CG C 0.985 -1.967 -1.173 1.00 . A A . 7 TRP CG 1 1 11 2422 1 1 7 TRP CH2 C 0.983 -5.870 0.264 1.00 . A A . 7 TRP CH2 1 1 11 2423 1 1 7 TRP CZ2 C -0.164 -5.216 -0.099 1.00 . A A . 7 TRP CZ2 1 1 11 2424 1 1 7 TRP CZ3 C 2.236 -5.246 0.175 1.00 . A A . 7 TRP CZ3 1 1 11 2425 1 1 7 TRP H H 0.083 0.487 -0.728 1.00 . A A . 7 TRP H 1 1 11 2426 1 1 7 TRP HA H 2.467 -0.299 0.557 1.00 . A A . 7 TRP HA 1 1 11 2427 1 1 7 TRP HB2 H 1.807 -0.468 -2.384 1.00 . A A . 7 TRP HB2 1 1 11 2428 1 1 7 TRP HB3 H 2.986 -1.437 -1.508 1.00 . A A . 7 TRP HB3 1 1 11 2429 1 1 7 TRP HD1 H -0.843 -0.952 -1.692 1.00 . A A . 7 TRP HD1 1 1 11 2430 1 1 7 TRP HE1 H -1.949 -3.181 -1.032 1.00 . A A . 7 TRP HE1 1 1 11 2431 1 1 7 TRP HE3 H 3.309 -3.464 -0.353 1.00 . A A . 7 TRP HE3 1 1 11 2432 1 1 7 TRP HH2 H 0.938 -6.885 0.632 1.00 . A A . 7 TRP HH2 1 1 11 2433 1 1 7 TRP HZ2 H -1.123 -5.708 -0.024 1.00 . A A . 7 TRP HZ2 1 1 11 2434 1 1 7 TRP HZ3 H 3.120 -5.792 0.469 1.00 . A A . 7 TRP HZ3 1 1 11 2435 1 1 7 TRP N N 0.793 0.692 -0.108 1.00 . A A . 7 TRP N 1 1 11 2436 1 1 7 TRP NE1 N -0.986 -3.014 -0.986 1.00 . A A . 7 TRP NE1 1 1 11 2437 1 1 7 TRP O O 3.724 1.133 -1.832 1.00 . A A . 7 TRP O 1 1 11 2438 1 1 8 TRP C C 5.452 3.091 0.352 1.00 . A A . 8 TRP C 1 1 11 2439 1 1 8 TRP CA C 4.064 3.357 -0.216 1.00 . A A . 8 TRP CA 1 1 11 2440 1 1 8 TRP CB C 3.471 4.615 0.401 1.00 . A A . 8 TRP CB 1 1 11 2441 1 1 8 TRP CD1 C 4.514 6.359 -1.159 1.00 . A A . 8 TRP CD1 1 1 11 2442 1 1 8 TRP CD2 C 4.811 6.780 1.020 1.00 . A A . 8 TRP CD2 1 1 11 2443 1 1 8 TRP CE2 C 5.427 7.804 0.277 1.00 . A A . 8 TRP CE2 1 1 11 2444 1 1 8 TRP CE3 C 4.867 6.833 2.417 1.00 . A A . 8 TRP CE3 1 1 11 2445 1 1 8 TRP CG C 4.236 5.863 0.082 1.00 . A A . 8 TRP CG 1 1 11 2446 1 1 8 TRP CH2 C 6.126 8.897 2.251 1.00 . A A . 8 TRP CH2 1 1 11 2447 1 1 8 TRP CZ2 C 6.089 8.870 0.883 1.00 . A A . 8 TRP CZ2 1 1 11 2448 1 1 8 TRP CZ3 C 5.522 7.890 3.016 1.00 . A A . 8 TRP CZ3 1 1 11 2449 1 1 8 TRP H H 2.635 2.238 0.852 1.00 . A A . 8 TRP H 1 1 11 2450 1 1 8 TRP HA H 4.138 3.487 -1.285 1.00 . A A . 8 TRP HA 1 1 11 2451 1 1 8 TRP HB2 H 2.465 4.730 0.040 1.00 . A A . 8 TRP HB2 1 1 11 2452 1 1 8 TRP HB3 H 3.450 4.502 1.475 1.00 . A A . 8 TRP HB3 1 1 11 2453 1 1 8 TRP HD1 H 4.211 5.890 -2.083 1.00 . A A . 8 TRP HD1 1 1 11 2454 1 1 8 TRP HE1 H 5.553 8.067 -1.801 1.00 . A A . 8 TRP HE1 1 1 11 2455 1 1 8 TRP HE3 H 4.407 6.068 3.022 1.00 . A A . 8 TRP HE3 1 1 11 2456 1 1 8 TRP HH2 H 6.630 9.704 2.762 1.00 . A A . 8 TRP HH2 1 1 11 2457 1 1 8 TRP HZ2 H 6.559 9.654 0.308 1.00 . A A . 8 TRP HZ2 1 1 11 2458 1 1 8 TRP HZ3 H 5.577 7.948 4.093 1.00 . A A . 8 TRP HZ3 1 1 11 2459 1 1 8 TRP N N 3.180 2.238 0.043 1.00 . A A . 8 TRP N 1 1 11 2460 1 1 8 TRP NE1 N 5.233 7.525 -1.051 1.00 . A A . 8 TRP NE1 1 1 11 2461 1 1 8 TRP O O 6.454 3.543 -0.199 1.00 . A A . 8 TRP O 1 1 11 2462 1 1 9 ARG C C 6.939 0.572 2.488 1.00 . A A . 9 ARG C 1 1 11 2463 1 1 9 ARG CA C 6.781 2.050 2.099 1.00 . A A . 9 ARG CA 1 1 11 2464 1 1 9 ARG CB C 6.964 2.919 3.342 1.00 . A A . 9 ARG CB 1 1 11 2465 1 1 9 ARG CD C 8.196 4.740 2.129 1.00 . A A . 9 ARG CD 1 1 11 2466 1 1 9 ARG CG C 7.026 4.407 3.040 1.00 . A A . 9 ARG CG 1 1 11 2467 1 1 9 ARG CZ C 9.214 6.720 1.071 1.00 . A A . 9 ARG CZ 1 1 11 2468 1 1 9 ARG H H 4.671 2.033 1.864 1.00 . A A . 9 ARG H 1 1 11 2469 1 1 9 ARG HA H 7.559 2.299 1.396 1.00 . A A . 9 ARG HA 1 1 11 2470 1 1 9 ARG HB2 H 6.137 2.743 4.014 1.00 . A A . 9 ARG HB2 1 1 11 2471 1 1 9 ARG HB3 H 7.882 2.634 3.834 1.00 . A A . 9 ARG HB3 1 1 11 2472 1 1 9 ARG HD2 H 9.110 4.424 2.606 1.00 . A A . 9 ARG HD2 1 1 11 2473 1 1 9 ARG HD3 H 8.073 4.206 1.198 1.00 . A A . 9 ARG HD3 1 1 11 2474 1 1 9 ARG HE H 7.609 6.754 2.258 1.00 . A A . 9 ARG HE 1 1 11 2475 1 1 9 ARG HG2 H 6.108 4.704 2.555 1.00 . A A . 9 ARG HG2 1 1 11 2476 1 1 9 ARG HG3 H 7.137 4.949 3.969 1.00 . A A . 9 ARG HG3 1 1 11 2477 1 1 9 ARG HH11 H 10.136 4.971 0.644 1.00 . A A . 9 ARG HH11 1 1 11 2478 1 1 9 ARG HH12 H 10.835 6.377 -0.086 1.00 . A A . 9 ARG HH12 1 1 11 2479 1 1 9 ARG HH21 H 8.529 8.607 1.299 1.00 . A A . 9 ARG HH21 1 1 11 2480 1 1 9 ARG HH22 H 9.922 8.441 0.286 1.00 . A A . 9 ARG HH22 1 1 11 2481 1 1 9 ARG N N 5.504 2.360 1.463 1.00 . A A . 9 ARG N 1 1 11 2482 1 1 9 ARG NE N 8.281 6.171 1.847 1.00 . A A . 9 ARG NE 1 1 11 2483 1 1 9 ARG NH1 N 10.137 5.960 0.495 1.00 . A A . 9 ARG NH1 1 1 11 2484 1 1 9 ARG NH2 N 9.222 8.029 0.869 1.00 . A A . 9 ARG NH2 1 1 11 2485 1 1 9 ARG O O 7.842 0.244 3.258 1.00 . A A . 9 ARG O 1 1 11 2486 1 1 10 PRO C C 7.477 -2.404 1.711 1.00 . A A . 10 PRO C 1 1 11 2487 1 1 10 PRO CA C 6.234 -1.781 2.326 1.00 . A A . 10 PRO CA 1 1 11 2488 1 1 10 PRO CB C 4.981 -2.407 1.726 1.00 . A A . 10 PRO CB 1 1 11 2489 1 1 10 PRO CD C 4.976 -0.139 1.045 1.00 . A A . 10 PRO CD 1 1 11 2490 1 1 10 PRO CG C 4.669 -1.531 0.570 1.00 . A A . 10 PRO CG 1 1 11 2491 1 1 10 PRO HA H 6.249 -1.930 3.395 1.00 . A A . 10 PRO HA 1 1 11 2492 1 1 10 PRO HB2 H 5.190 -3.421 1.417 1.00 . A A . 10 PRO HB2 1 1 11 2493 1 1 10 PRO HB3 H 4.185 -2.399 2.455 1.00 . A A . 10 PRO HB3 1 1 11 2494 1 1 10 PRO HD2 H 5.266 0.496 0.216 1.00 . A A . 10 PRO HD2 1 1 11 2495 1 1 10 PRO HD3 H 4.124 0.277 1.559 1.00 . A A . 10 PRO HD3 1 1 11 2496 1 1 10 PRO HG2 H 5.296 -1.793 -0.271 1.00 . A A . 10 PRO HG2 1 1 11 2497 1 1 10 PRO HG3 H 3.630 -1.624 0.311 1.00 . A A . 10 PRO HG3 1 1 11 2498 1 1 10 PRO N N 6.100 -0.358 1.980 1.00 . A A . 10 PRO N 1 1 11 2499 1 1 10 PRO O O 8.029 -3.369 2.239 1.00 . A A . 10 PRO O 1 1 11 2500 1 1 11 SER C C 10.374 -1.748 0.497 1.00 . A A . 11 SER C 1 1 11 2501 1 1 11 SER CA C 9.097 -2.339 -0.101 1.00 . A A . 11 SER CA 1 1 11 2502 1 1 11 SER CB C 9.018 -2.007 -1.591 1.00 . A A . 11 SER CB 1 1 11 2503 1 1 11 SER H H 7.429 -1.073 0.220 1.00 . A A . 11 SER H 1 1 11 2504 1 1 11 SER HA H 9.123 -3.411 0.019 1.00 . A A . 11 SER HA 1 1 11 2505 1 1 11 SER HB2 H 8.960 -0.936 -1.716 1.00 . A A . 11 SER HB2 1 1 11 2506 1 1 11 SER HB3 H 9.902 -2.380 -2.088 1.00 . A A . 11 SER HB3 1 1 11 2507 1 1 11 SER HG H 7.301 -1.910 -2.527 1.00 . A A . 11 SER HG 1 1 11 2508 1 1 11 SER N N 7.915 -1.842 0.590 1.00 . A A . 11 SER N 1 1 11 2509 1 1 11 SER O O 11.415 -1.714 -0.160 1.00 . A A . 11 SER O 1 1 11 2510 1 1 11 SER OG O 7.877 -2.598 -2.185 1.00 . A A . 11 SER OG 1 1 11 2511 1 1 12 ILE C C 11.964 0.517 1.649 1.00 . A A . 12 ILE C 1 1 11 2512 1 1 12 ILE CA C 11.446 -0.699 2.413 1.00 . A A . 12 ILE CA 1 1 11 2513 1 1 12 ILE CB C 12.585 -1.729 2.563 1.00 . A A . 12 ILE CB 1 1 11 2514 1 1 12 ILE CD1 C 11.613 -2.626 4.739 1.00 . A A . 12 ILE CD1 1 1 11 2515 1 1 12 ILE CG1 C 12.096 -2.951 3.342 1.00 . A A . 12 ILE CG1 1 1 11 2516 1 1 12 ILE CG2 C 13.787 -1.102 3.259 1.00 . A A . 12 ILE CG2 1 1 11 2517 1 1 12 ILE H H 9.439 -1.335 2.222 1.00 . A A . 12 ILE H 1 1 11 2518 1 1 12 ILE HA H 11.137 -0.387 3.402 1.00 . A A . 12 ILE HA 1 1 11 2519 1 1 12 ILE HB H 12.893 -2.039 1.576 1.00 . A A . 12 ILE HB 1 1 11 2520 1 1 12 ILE HD11 H 11.234 -3.522 5.205 1.00 . A A . 12 ILE HD11 1 1 11 2521 1 1 12 ILE HD12 H 10.824 -1.889 4.684 1.00 . A A . 12 ILE HD12 1 1 11 2522 1 1 12 ILE HD13 H 12.432 -2.234 5.321 1.00 . A A . 12 ILE HD13 1 1 11 2523 1 1 12 ILE HG12 H 11.277 -3.407 2.806 1.00 . A A . 12 ILE HG12 1 1 11 2524 1 1 12 ILE HG13 H 12.904 -3.662 3.428 1.00 . A A . 12 ILE HG13 1 1 11 2525 1 1 12 ILE HG21 H 14.383 -0.567 2.535 1.00 . A A . 12 ILE HG21 1 1 11 2526 1 1 12 ILE HG22 H 14.385 -1.879 3.714 1.00 . A A . 12 ILE HG22 1 1 11 2527 1 1 12 ILE HG23 H 13.445 -0.417 4.021 1.00 . A A . 12 ILE HG23 1 1 11 2528 1 1 12 ILE N N 10.292 -1.283 1.744 1.00 . A A . 12 ILE N 1 1 11 2529 1 1 12 ILE O O 12.771 0.327 0.715 1.00 . A A . 12 ILE O 1 1 11 2530 1 1 12 ILE OXT O 11.556 1.647 1.990 1.00 . A A . 12 ILE OXT 1 1 12 2531 1 1 1 HIS C C -9.652 -0.890 -2.720 1.00 . A A . 1 HIS C 1 1 12 2532 1 1 1 HIS CA C -10.454 -0.313 -3.884 1.00 . A A . 1 HIS CA 1 1 12 2533 1 1 1 HIS CB C -11.150 0.981 -3.459 1.00 . A A . 1 HIS CB 1 1 12 2534 1 1 1 HIS CD2 C -13.257 1.916 -4.647 1.00 . A A . 1 HIS CD2 1 1 12 2535 1 1 1 HIS CE1 C -12.309 2.570 -6.512 1.00 . A A . 1 HIS CE1 1 1 12 2536 1 1 1 HIS CG C -11.938 1.624 -4.557 1.00 . A A . 1 HIS CG 1 1 12 2537 1 1 1 HIS H1 H -12.124 -1.468 -3.549 1.00 . A A . 1 HIS H1 1 1 12 2538 1 1 1 HIS H2 H -11.000 -2.140 -4.659 1.00 . A A . 1 HIS H2 1 1 12 2539 1 1 1 HIS H3 H -12.003 -0.832 -5.136 1.00 . A A . 1 HIS H3 1 1 12 2540 1 1 1 HIS HA H -9.784 -0.105 -4.705 1.00 . A A . 1 HIS HA 1 1 12 2541 1 1 1 HIS HB2 H -11.827 0.765 -2.646 1.00 . A A . 1 HIS HB2 1 1 12 2542 1 1 1 HIS HB3 H -10.405 1.688 -3.123 1.00 . A A . 1 HIS HB3 1 1 12 2543 1 1 1 HIS HD1 H -10.425 1.972 -5.983 1.00 . A A . 1 HIS HD1 1 1 12 2544 1 1 1 HIS HD2 H -14.010 1.723 -3.895 1.00 . A A . 1 HIS HD2 1 1 12 2545 1 1 1 HIS HE1 H -12.157 2.981 -7.499 1.00 . A A . 1 HIS HE1 1 1 12 2546 1 1 1 HIS HE2 H -14.333 2.744 -6.249 1.00 . A A . 1 HIS HE2 1 1 12 2547 1 1 1 HIS N N -11.488 -1.275 -4.348 1.00 . A A . 1 HIS N 1 1 12 2548 1 1 1 HIS ND1 N -11.372 2.045 -5.742 1.00 . A A . 1 HIS ND1 1 1 12 2549 1 1 1 HIS NE2 N -13.461 2.504 -5.872 1.00 . A A . 1 HIS NE2 1 1 12 2550 1 1 1 HIS O O -9.794 -0.449 -1.578 1.00 . A A . 1 HIS O 1 1 12 2551 1 1 2 PRO C C -7.078 -1.552 -1.233 1.00 . A A . 2 PRO C 1 1 12 2552 1 1 2 PRO CA C -7.969 -2.536 -1.971 1.00 . A A . 2 PRO CA 1 1 12 2553 1 1 2 PRO CB C -7.106 -3.521 -2.779 1.00 . A A . 2 PRO CB 1 1 12 2554 1 1 2 PRO CD C -8.557 -2.485 -4.311 1.00 . A A . 2 PRO CD 1 1 12 2555 1 1 2 PRO CG C -7.162 -3.002 -4.169 1.00 . A A . 2 PRO CG 1 1 12 2556 1 1 2 PRO HA H -8.570 -3.080 -1.260 1.00 . A A . 2 PRO HA 1 1 12 2557 1 1 2 PRO HB2 H -6.096 -3.523 -2.399 1.00 . A A . 2 PRO HB2 1 1 12 2558 1 1 2 PRO HB3 H -7.526 -4.513 -2.711 1.00 . A A . 2 PRO HB3 1 1 12 2559 1 1 2 PRO HD2 H -8.620 -1.747 -5.098 1.00 . A A . 2 PRO HD2 1 1 12 2560 1 1 2 PRO HD3 H -9.235 -3.298 -4.486 1.00 . A A . 2 PRO HD3 1 1 12 2561 1 1 2 PRO HG2 H -6.442 -2.202 -4.295 1.00 . A A . 2 PRO HG2 1 1 12 2562 1 1 2 PRO HG3 H -6.980 -3.799 -4.873 1.00 . A A . 2 PRO HG3 1 1 12 2563 1 1 2 PRO N N -8.796 -1.889 -2.992 1.00 . A A . 2 PRO N 1 1 12 2564 1 1 2 PRO O O -7.288 -0.340 -1.271 1.00 . A A . 2 PRO O 1 1 12 2565 1 1 3 LEU C C -3.914 -0.926 -0.679 1.00 . A A . 3 LEU C 1 1 12 2566 1 1 3 LEU CA C -5.116 -1.310 0.184 1.00 . A A . 3 LEU CA 1 1 12 2567 1 1 3 LEU CB C -4.665 -2.079 1.432 1.00 . A A . 3 LEU CB 1 1 12 2568 1 1 3 LEU CD1 C -2.844 -3.437 0.338 1.00 . A A . 3 LEU CD1 1 1 12 2569 1 1 3 LEU CD2 C -3.829 -4.186 2.508 1.00 . A A . 3 LEU CD2 1 1 12 2570 1 1 3 LEU CG C -4.105 -3.486 1.186 1.00 . A A . 3 LEU CG 1 1 12 2571 1 1 3 LEU H H -5.974 -3.070 -0.604 1.00 . A A . 3 LEU H 1 1 12 2572 1 1 3 LEU HA H -5.617 -0.407 0.495 1.00 . A A . 3 LEU HA 1 1 12 2573 1 1 3 LEU HB2 H -3.904 -1.498 1.929 1.00 . A A . 3 LEU HB2 1 1 12 2574 1 1 3 LEU HB3 H -5.511 -2.167 2.097 1.00 . A A . 3 LEU HB3 1 1 12 2575 1 1 3 LEU HD11 H -3.107 -3.231 -0.690 1.00 . A A . 3 LEU HD11 1 1 12 2576 1 1 3 LEU HD12 H -2.336 -4.388 0.394 1.00 . A A . 3 LEU HD12 1 1 12 2577 1 1 3 LEU HD13 H -2.191 -2.659 0.706 1.00 . A A . 3 LEU HD13 1 1 12 2578 1 1 3 LEU HD21 H -2.985 -4.849 2.395 1.00 . A A . 3 LEU HD21 1 1 12 2579 1 1 3 LEU HD22 H -4.698 -4.755 2.802 1.00 . A A . 3 LEU HD22 1 1 12 2580 1 1 3 LEU HD23 H -3.608 -3.449 3.265 1.00 . A A . 3 LEU HD23 1 1 12 2581 1 1 3 LEU HG H -4.842 -4.067 0.649 1.00 . A A . 3 LEU HG 1 1 12 2582 1 1 3 LEU N N -6.075 -2.100 -0.572 1.00 . A A . 3 LEU N 1 1 12 2583 1 1 3 LEU O O -2.811 -0.736 -0.170 1.00 . A A . 3 LEU O 1 1 12 2584 1 1 4 LYS C C -2.394 0.815 -2.519 1.00 . A A . 4 LYS C 1 1 12 2585 1 1 4 LYS CA C -3.078 -0.477 -2.918 1.00 . A A . 4 LYS CA 1 1 12 2586 1 1 4 LYS CB C -3.686 -0.327 -4.298 1.00 . A A . 4 LYS CB 1 1 12 2587 1 1 4 LYS CD C -5.014 1.079 -5.912 1.00 . A A . 4 LYS CD 1 1 12 2588 1 1 4 LYS CE C -6.073 0.026 -6.191 1.00 . A A . 4 LYS CE 1 1 12 2589 1 1 4 LYS CG C -4.469 0.965 -4.496 1.00 . A A . 4 LYS CG 1 1 12 2590 1 1 4 LYS H H -5.024 -0.993 -2.338 1.00 . A A . 4 LYS H 1 1 12 2591 1 1 4 LYS HA H -2.358 -1.274 -2.929 1.00 . A A . 4 LYS HA 1 1 12 2592 1 1 4 LYS HB2 H -2.907 -0.377 -5.030 1.00 . A A . 4 LYS HB2 1 1 12 2593 1 1 4 LYS HB3 H -4.357 -1.147 -4.441 1.00 . A A . 4 LYS HB3 1 1 12 2594 1 1 4 LYS HD2 H -5.454 2.057 -6.039 1.00 . A A . 4 LYS HD2 1 1 12 2595 1 1 4 LYS HD3 H -4.201 0.955 -6.612 1.00 . A A . 4 LYS HD3 1 1 12 2596 1 1 4 LYS HE2 H -6.378 0.105 -7.224 1.00 . A A . 4 LYS HE2 1 1 12 2597 1 1 4 LYS HE3 H -5.646 -0.950 -6.014 1.00 . A A . 4 LYS HE3 1 1 12 2598 1 1 4 LYS HG2 H -5.295 0.984 -3.802 1.00 . A A . 4 LYS HG2 1 1 12 2599 1 1 4 LYS HG3 H -3.816 1.804 -4.304 1.00 . A A . 4 LYS HG3 1 1 12 2600 1 1 4 LYS HZ1 H -8.131 -0.030 -5.847 1.00 . A A . 4 LYS HZ1 1 1 12 2601 1 1 4 LYS HZ2 H -7.328 1.186 -4.989 1.00 . A A . 4 LYS HZ2 1 1 12 2602 1 1 4 LYS HZ3 H -7.201 -0.425 -4.491 1.00 . A A . 4 LYS HZ3 1 1 12 2603 1 1 4 LYS N N -4.132 -0.823 -1.985 1.00 . A A . 4 LYS N 1 1 12 2604 1 1 4 LYS NZ N -7.267 0.201 -5.318 1.00 . A A . 4 LYS NZ 1 1 12 2605 1 1 4 LYS O O -1.202 1.011 -2.759 1.00 . A A . 4 LYS O 1 1 12 2606 1 1 5 GLN C C -1.982 2.837 -0.095 1.00 . A A . 5 GLN C 1 1 12 2607 1 1 5 GLN CA C -2.642 2.971 -1.463 1.00 . A A . 5 GLN CA 1 1 12 2608 1 1 5 GLN CB C -3.759 4.012 -1.407 1.00 . A A . 5 GLN CB 1 1 12 2609 1 1 5 GLN CD C -4.397 6.408 -0.930 1.00 . A A . 5 GLN CD 1 1 12 2610 1 1 5 GLN CG C -3.288 5.376 -0.935 1.00 . A A . 5 GLN CG 1 1 12 2611 1 1 5 GLN H H -4.106 1.464 -1.746 1.00 . A A . 5 GLN H 1 1 12 2612 1 1 5 GLN HA H -1.899 3.293 -2.177 1.00 . A A . 5 GLN HA 1 1 12 2613 1 1 5 GLN HB2 H -4.184 4.122 -2.393 1.00 . A A . 5 GLN HB2 1 1 12 2614 1 1 5 GLN HB3 H -4.526 3.664 -0.730 1.00 . A A . 5 GLN HB3 1 1 12 2615 1 1 5 GLN HE21 H -3.387 7.526 -2.235 1.00 . A A . 5 GLN HE21 1 1 12 2616 1 1 5 GLN HE22 H -4.928 8.159 -1.723 1.00 . A A . 5 GLN HE22 1 1 12 2617 1 1 5 GLN HG2 H -2.905 5.278 0.069 1.00 . A A . 5 GLN HG2 1 1 12 2618 1 1 5 GLN HG3 H -2.499 5.715 -1.589 1.00 . A A . 5 GLN HG3 1 1 12 2619 1 1 5 GLN N N -3.164 1.690 -1.907 1.00 . A A . 5 GLN N 1 1 12 2620 1 1 5 GLN NE2 N -4.219 7.471 -1.707 1.00 . A A . 5 GLN NE2 1 1 12 2621 1 1 5 GLN O O -1.472 3.811 0.457 1.00 . A A . 5 GLN O 1 1 12 2622 1 1 5 GLN OE1 O -5.404 6.253 -0.239 1.00 . A A . 5 GLN OE1 1 1 12 2623 1 1 6 TYR C C 0.084 1.007 1.648 1.00 . A A . 6 TYR C 1 1 12 2624 1 1 6 TYR CA C -1.387 1.390 1.759 1.00 . A A . 6 TYR CA 1 1 12 2625 1 1 6 TYR CB C -2.156 0.317 2.530 1.00 . A A . 6 TYR CB 1 1 12 2626 1 1 6 TYR CD1 C -4.485 1.107 1.952 1.00 . A A . 6 TYR CD1 1 1 12 2627 1 1 6 TYR CD2 C -3.949 0.764 4.249 1.00 . A A . 6 TYR CD2 1 1 12 2628 1 1 6 TYR CE1 C -5.765 1.491 2.304 1.00 . A A . 6 TYR CE1 1 1 12 2629 1 1 6 TYR CE2 C -5.226 1.148 4.609 1.00 . A A . 6 TYR CE2 1 1 12 2630 1 1 6 TYR CG C -3.557 0.738 2.916 1.00 . A A . 6 TYR CG 1 1 12 2631 1 1 6 TYR CZ C -6.130 1.511 3.634 1.00 . A A . 6 TYR CZ 1 1 12 2632 1 1 6 TYR H H -2.412 0.875 -0.042 1.00 . A A . 6 TYR H 1 1 12 2633 1 1 6 TYR HA H -1.450 2.316 2.308 1.00 . A A . 6 TYR HA 1 1 12 2634 1 1 6 TYR HB2 H -2.229 -0.570 1.922 1.00 . A A . 6 TYR HB2 1 1 12 2635 1 1 6 TYR HB3 H -1.618 0.082 3.437 1.00 . A A . 6 TYR HB3 1 1 12 2636 1 1 6 TYR HD1 H -4.196 1.091 0.911 1.00 . A A . 6 TYR HD1 1 1 12 2637 1 1 6 TYR HD2 H -3.238 0.481 5.011 1.00 . A A . 6 TYR HD2 1 1 12 2638 1 1 6 TYR HE1 H -6.472 1.776 1.540 1.00 . A A . 6 TYR HE1 1 1 12 2639 1 1 6 TYR HE2 H -5.513 1.162 5.651 1.00 . A A . 6 TYR HE2 1 1 12 2640 1 1 6 TYR HH H -7.719 1.330 4.700 1.00 . A A . 6 TYR HH 1 1 12 2641 1 1 6 TYR N N -1.992 1.626 0.449 1.00 . A A . 6 TYR N 1 1 12 2642 1 1 6 TYR O O 0.835 1.116 2.617 1.00 . A A . 6 TYR O 1 1 12 2643 1 1 6 TYR OH O -7.403 1.892 3.989 1.00 . A A . 6 TYR OH 1 1 12 2644 1 1 7 TRP C C 2.822 1.329 0.477 1.00 . A A . 7 TRP C 1 1 12 2645 1 1 7 TRP CA C 1.863 0.163 0.246 1.00 . A A . 7 TRP CA 1 1 12 2646 1 1 7 TRP CB C 1.995 -0.395 -1.167 1.00 . A A . 7 TRP CB 1 1 12 2647 1 1 7 TRP CD1 C -0.241 -1.613 -1.571 1.00 . A A . 7 TRP CD1 1 1 12 2648 1 1 7 TRP CD2 C 1.550 -2.925 -1.463 1.00 . A A . 7 TRP CD2 1 1 12 2649 1 1 7 TRP CE2 C 0.433 -3.737 -1.700 1.00 . A A . 7 TRP CE2 1 1 12 2650 1 1 7 TRP CE3 C 2.795 -3.500 -1.344 1.00 . A A . 7 TRP CE3 1 1 12 2651 1 1 7 TRP CG C 1.115 -1.582 -1.410 1.00 . A A . 7 TRP CG 1 1 12 2652 1 1 7 TRP CH2 C 1.785 -5.673 -1.699 1.00 . A A . 7 TRP CH2 1 1 12 2653 1 1 7 TRP CZ2 C 0.535 -5.120 -1.821 1.00 . A A . 7 TRP CZ2 1 1 12 2654 1 1 7 TRP CZ3 C 2.912 -4.872 -1.460 1.00 . A A . 7 TRP CZ3 1 1 12 2655 1 1 7 TRP H H -0.132 0.484 -0.269 1.00 . A A . 7 TRP H 1 1 12 2656 1 1 7 TRP HA H 2.102 -0.616 0.952 1.00 . A A . 7 TRP HA 1 1 12 2657 1 1 7 TRP HB2 H 1.724 0.369 -1.877 1.00 . A A . 7 TRP HB2 1 1 12 2658 1 1 7 TRP HB3 H 3.019 -0.696 -1.336 1.00 . A A . 7 TRP HB3 1 1 12 2659 1 1 7 TRP HD1 H -0.873 -0.744 -1.567 1.00 . A A . 7 TRP HD1 1 1 12 2660 1 1 7 TRP HE1 H -1.583 -3.195 -1.928 1.00 . A A . 7 TRP HE1 1 1 12 2661 1 1 7 TRP HE3 H 3.654 -2.880 -1.155 1.00 . A A . 7 TRP HE3 1 1 12 2662 1 1 7 TRP HH2 H 1.917 -6.740 -1.782 1.00 . A A . 7 TRP HH2 1 1 12 2663 1 1 7 TRP HZ2 H -0.325 -5.745 -2.006 1.00 . A A . 7 TRP HZ2 1 1 12 2664 1 1 7 TRP HZ3 H 3.881 -5.340 -1.369 1.00 . A A . 7 TRP HZ3 1 1 12 2665 1 1 7 TRP N N 0.495 0.557 0.469 1.00 . A A . 7 TRP N 1 1 12 2666 1 1 7 TRP NE1 N -0.658 -2.910 -1.770 1.00 . A A . 7 TRP NE1 1 1 12 2667 1 1 7 TRP O O 3.254 1.556 1.605 1.00 . A A . 7 TRP O 1 1 12 2668 1 1 8 TRP C C 5.524 2.737 -0.592 1.00 . A A . 8 TRP C 1 1 12 2669 1 1 8 TRP CA C 4.071 3.195 -0.522 1.00 . A A . 8 TRP CA 1 1 12 2670 1 1 8 TRP CB C 3.840 4.023 0.748 1.00 . A A . 8 TRP CB 1 1 12 2671 1 1 8 TRP CD1 C 4.786 6.264 -0.062 1.00 . A A . 8 TRP CD1 1 1 12 2672 1 1 8 TRP CD2 C 5.670 5.531 1.859 1.00 . A A . 8 TRP CD2 1 1 12 2673 1 1 8 TRP CE2 C 6.276 6.757 1.526 1.00 . A A . 8 TRP CE2 1 1 12 2674 1 1 8 TRP CE3 C 6.066 4.881 3.032 1.00 . A A . 8 TRP CE3 1 1 12 2675 1 1 8 TRP CG C 4.722 5.233 0.830 1.00 . A A . 8 TRP CG 1 1 12 2676 1 1 8 TRP CH2 C 7.623 6.685 3.464 1.00 . A A . 8 TRP CH2 1 1 12 2677 1 1 8 TRP CZ2 C 7.255 7.344 2.323 1.00 . A A . 8 TRP CZ2 1 1 12 2678 1 1 8 TRP CZ3 C 7.037 5.464 3.821 1.00 . A A . 8 TRP CZ3 1 1 12 2679 1 1 8 TRP H H 2.782 1.818 -1.459 1.00 . A A . 8 TRP H 1 1 12 2680 1 1 8 TRP HA H 3.871 3.820 -1.381 1.00 . A A . 8 TRP HA 1 1 12 2681 1 1 8 TRP HB2 H 2.812 4.354 0.776 1.00 . A A . 8 TRP HB2 1 1 12 2682 1 1 8 TRP HB3 H 4.040 3.410 1.612 1.00 . A A . 8 TRP HB3 1 1 12 2683 1 1 8 TRP HD1 H 4.187 6.332 -0.959 1.00 . A A . 8 TRP HD1 1 1 12 2684 1 1 8 TRP HE1 H 5.950 8.012 -0.124 1.00 . A A . 8 TRP HE1 1 1 12 2685 1 1 8 TRP HE3 H 5.624 3.941 3.323 1.00 . A A . 8 TRP HE3 1 1 12 2686 1 1 8 TRP HH2 H 8.380 7.102 4.111 1.00 . A A . 8 TRP HH2 1 1 12 2687 1 1 8 TRP HZ2 H 7.717 8.285 2.063 1.00 . A A . 8 TRP HZ2 1 1 12 2688 1 1 8 TRP HZ3 H 7.356 4.975 4.729 1.00 . A A . 8 TRP HZ3 1 1 12 2689 1 1 8 TRP N N 3.156 2.056 -0.592 1.00 . A A . 8 TRP N 1 1 12 2690 1 1 8 TRP NE1 N 5.720 7.185 0.348 1.00 . A A . 8 TRP NE1 1 1 12 2691 1 1 8 TRP O O 6.373 3.456 -1.116 1.00 . A A . 8 TRP O 1 1 12 2692 1 1 9 ARG C C 7.378 0.032 1.145 1.00 . A A . 9 ARG C 1 1 12 2693 1 1 9 ARG CA C 7.141 0.944 -0.068 1.00 . A A . 9 ARG CA 1 1 12 2694 1 1 9 ARG CB C 8.249 2.007 -0.157 1.00 . A A . 9 ARG CB 1 1 12 2695 1 1 9 ARG CD C 9.231 4.156 0.694 1.00 . A A . 9 ARG CD 1 1 12 2696 1 1 9 ARG CG C 8.185 3.074 0.920 1.00 . A A . 9 ARG CG 1 1 12 2697 1 1 9 ARG CZ C 11.149 3.079 1.812 1.00 . A A . 9 ARG CZ 1 1 12 2698 1 1 9 ARG H H 5.061 1.011 0.314 1.00 . A A . 9 ARG H 1 1 12 2699 1 1 9 ARG HA H 7.198 0.330 -0.943 1.00 . A A . 9 ARG HA 1 1 12 2700 1 1 9 ARG HB2 H 9.206 1.512 -0.076 1.00 . A A . 9 ARG HB2 1 1 12 2701 1 1 9 ARG HB3 H 8.192 2.492 -1.120 1.00 . A A . 9 ARG HB3 1 1 12 2702 1 1 9 ARG HD2 H 9.059 4.609 -0.270 1.00 . A A . 9 ARG HD2 1 1 12 2703 1 1 9 ARG HD3 H 9.127 4.904 1.467 1.00 . A A . 9 ARG HD3 1 1 12 2704 1 1 9 ARG HE H 11.113 3.654 -0.099 1.00 . A A . 9 ARG HE 1 1 12 2705 1 1 9 ARG HG2 H 7.203 3.526 0.912 1.00 . A A . 9 ARG HG2 1 1 12 2706 1 1 9 ARG HG3 H 8.365 2.610 1.877 1.00 . A A . 9 ARG HG3 1 1 12 2707 1 1 9 ARG HH11 H 9.576 3.442 3.030 1.00 . A A . 9 ARG HH11 1 1 12 2708 1 1 9 ARG HH12 H 10.918 2.641 3.772 1.00 . A A . 9 ARG HH12 1 1 12 2709 1 1 9 ARG HH21 H 12.880 2.607 0.881 1.00 . A A . 9 ARG HH21 1 1 12 2710 1 1 9 ARG HH22 H 12.795 2.171 2.555 1.00 . A A . 9 ARG HH22 1 1 12 2711 1 1 9 ARG N N 5.795 1.532 -0.071 1.00 . A A . 9 ARG N 1 1 12 2712 1 1 9 ARG NE N 10.592 3.622 0.731 1.00 . A A . 9 ARG NE 1 1 12 2713 1 1 9 ARG NH1 N 10.493 3.052 2.966 1.00 . A A . 9 ARG NH1 1 1 12 2714 1 1 9 ARG NH2 N 12.376 2.577 1.743 1.00 . A A . 9 ARG NH2 1 1 12 2715 1 1 9 ARG O O 8.015 -1.014 1.010 1.00 . A A . 9 ARG O 1 1 12 2716 1 1 10 PRO C C 6.341 -1.781 3.440 1.00 . A A . 10 PRO C 1 1 12 2717 1 1 10 PRO CA C 7.059 -0.440 3.546 1.00 . A A . 10 PRO CA 1 1 12 2718 1 1 10 PRO CB C 6.440 0.404 4.662 1.00 . A A . 10 PRO CB 1 1 12 2719 1 1 10 PRO CD C 6.095 1.601 2.643 1.00 . A A . 10 PRO CD 1 1 12 2720 1 1 10 PRO CG C 5.458 1.272 3.960 1.00 . A A . 10 PRO CG 1 1 12 2721 1 1 10 PRO HA H 8.105 -0.610 3.754 1.00 . A A . 10 PRO HA 1 1 12 2722 1 1 10 PRO HB2 H 5.960 -0.240 5.383 1.00 . A A . 10 PRO HB2 1 1 12 2723 1 1 10 PRO HB3 H 7.208 0.989 5.145 1.00 . A A . 10 PRO HB3 1 1 12 2724 1 1 10 PRO HD2 H 5.346 1.774 1.892 1.00 . A A . 10 PRO HD2 1 1 12 2725 1 1 10 PRO HD3 H 6.735 2.457 2.744 1.00 . A A . 10 PRO HD3 1 1 12 2726 1 1 10 PRO HG2 H 4.533 0.733 3.809 1.00 . A A . 10 PRO HG2 1 1 12 2727 1 1 10 PRO HG3 H 5.284 2.173 4.530 1.00 . A A . 10 PRO HG3 1 1 12 2728 1 1 10 PRO N N 6.877 0.389 2.346 1.00 . A A . 10 PRO N 1 1 12 2729 1 1 10 PRO O O 6.645 -2.717 4.179 1.00 . A A . 10 PRO O 1 1 12 2730 1 1 11 SER C C 5.391 -4.075 1.415 1.00 . A A . 11 SER C 1 1 12 2731 1 1 11 SER CA C 4.633 -3.099 2.314 1.00 . A A . 11 SER CA 1 1 12 2732 1 1 11 SER CB C 3.267 -2.784 1.701 1.00 . A A . 11 SER CB 1 1 12 2733 1 1 11 SER H H 5.193 -1.090 1.955 1.00 . A A . 11 SER H 1 1 12 2734 1 1 11 SER HA H 4.485 -3.557 3.280 1.00 . A A . 11 SER HA 1 1 12 2735 1 1 11 SER HB2 H 2.719 -2.131 2.365 1.00 . A A . 11 SER HB2 1 1 12 2736 1 1 11 SER HB3 H 3.406 -2.291 0.750 1.00 . A A . 11 SER HB3 1 1 12 2737 1 1 11 SER HG H 1.584 -3.785 1.665 1.00 . A A . 11 SER HG 1 1 12 2738 1 1 11 SER N N 5.390 -1.868 2.516 1.00 . A A . 11 SER N 1 1 12 2739 1 1 11 SER O O 4.848 -5.100 1.004 1.00 . A A . 11 SER O 1 1 12 2740 1 1 11 SER OG O 2.512 -3.965 1.498 1.00 . A A . 11 SER OG 1 1 12 2741 1 1 12 ILE C C 8.213 -5.650 1.095 1.00 . A A . 12 ILE C 1 1 12 2742 1 1 12 ILE CA C 7.468 -4.611 0.263 1.00 . A A . 12 ILE CA 1 1 12 2743 1 1 12 ILE CB C 8.486 -3.785 -0.550 1.00 . A A . 12 ILE CB 1 1 12 2744 1 1 12 ILE CD1 C 8.692 -1.877 -2.224 1.00 . A A . 12 ILE CD1 1 1 12 2745 1 1 12 ILE CG1 C 7.760 -2.744 -1.406 1.00 . A A . 12 ILE CG1 1 1 12 2746 1 1 12 ILE CG2 C 9.342 -4.693 -1.425 1.00 . A A . 12 ILE CG2 1 1 12 2747 1 1 12 ILE H H 7.034 -2.926 1.465 1.00 . A A . 12 ILE H 1 1 12 2748 1 1 12 ILE HA H 6.813 -5.120 -0.431 1.00 . A A . 12 ILE HA 1 1 12 2749 1 1 12 ILE HB H 9.138 -3.276 0.145 1.00 . A A . 12 ILE HB 1 1 12 2750 1 1 12 ILE HD11 H 9.701 -2.253 -2.138 1.00 . A A . 12 ILE HD11 1 1 12 2751 1 1 12 ILE HD12 H 8.653 -0.862 -1.855 1.00 . A A . 12 ILE HD12 1 1 12 2752 1 1 12 ILE HD13 H 8.386 -1.897 -3.259 1.00 . A A . 12 ILE HD13 1 1 12 2753 1 1 12 ILE HG12 H 7.097 -3.252 -2.091 1.00 . A A . 12 ILE HG12 1 1 12 2754 1 1 12 ILE HG13 H 7.182 -2.099 -0.763 1.00 . A A . 12 ILE HG13 1 1 12 2755 1 1 12 ILE HG21 H 9.239 -4.401 -2.459 1.00 . A A . 12 ILE HG21 1 1 12 2756 1 1 12 ILE HG22 H 9.019 -5.717 -1.307 1.00 . A A . 12 ILE HG22 1 1 12 2757 1 1 12 ILE HG23 H 10.376 -4.606 -1.127 1.00 . A A . 12 ILE HG23 1 1 12 2758 1 1 12 ILE N N 6.648 -3.755 1.112 1.00 . A A . 12 ILE N 1 1 12 2759 1 1 12 ILE O O 8.301 -6.813 0.648 1.00 . A A . 12 ILE O 1 1 12 2760 1 1 12 ILE OXT O 8.704 -5.293 2.186 1.00 . A A . 12 ILE OXT 1 1 13 2761 1 1 1 HIS C C -9.558 0.219 -0.319 1.00 . A A . 1 HIS C 1 1 13 2762 1 1 1 HIS CA C -10.785 1.121 -0.424 1.00 . A A . 1 HIS CA 1 1 13 2763 1 1 1 HIS CB C -10.705 2.241 0.616 1.00 . A A . 1 HIS CB 1 1 13 2764 1 1 1 HIS CD2 C -11.884 4.537 0.355 1.00 . A A . 1 HIS CD2 1 1 13 2765 1 1 1 HIS CE1 C -13.955 3.864 0.607 1.00 . A A . 1 HIS CE1 1 1 13 2766 1 1 1 HIS CG C -11.855 3.197 0.555 1.00 . A A . 1 HIS CG 1 1 13 2767 1 1 1 HIS H1 H -12.809 0.849 -0.690 1.00 . A A . 1 HIS H1 1 1 13 2768 1 1 1 HIS H2 H -12.207 0.309 0.825 1.00 . A A . 1 HIS H2 1 1 13 2769 1 1 1 HIS H3 H -11.898 -0.601 -0.597 1.00 . A A . 1 HIS H3 1 1 13 2770 1 1 1 HIS HA H -10.821 1.556 -1.411 1.00 . A A . 1 HIS HA 1 1 13 2771 1 1 1 HIS HB2 H -10.689 1.806 1.604 1.00 . A A . 1 HIS HB2 1 1 13 2772 1 1 1 HIS HB3 H -9.796 2.803 0.460 1.00 . A A . 1 HIS HB3 1 1 13 2773 1 1 1 HIS HD1 H -13.480 1.893 0.870 1.00 . A A . 1 HIS HD1 1 1 13 2774 1 1 1 HIS HD2 H -11.029 5.180 0.195 1.00 . A A . 1 HIS HD2 1 1 13 2775 1 1 1 HIS HE1 H -15.032 3.861 0.685 1.00 . A A . 1 HIS HE1 1 1 13 2776 1 1 1 HIS HE2 H -13.535 5.825 0.187 1.00 . A A . 1 HIS HE2 1 1 13 2777 1 1 1 HIS N N -12.038 0.350 -0.202 1.00 . A A . 1 HIS N 1 1 13 2778 1 1 1 HIS ND1 N -13.169 2.808 0.709 1.00 . A A . 1 HIS ND1 1 1 13 2779 1 1 1 HIS NE2 N -13.201 4.926 0.393 1.00 . A A . 1 HIS NE2 1 1 13 2780 1 1 1 HIS O O -8.879 0.201 0.707 1.00 . A A . 1 HIS O 1 1 13 2781 1 1 2 PRO C C -6.907 -0.980 -0.704 1.00 . A A . 2 PRO C 1 1 13 2782 1 1 2 PRO CA C -8.137 -1.473 -1.442 1.00 . A A . 2 PRO CA 1 1 13 2783 1 1 2 PRO CB C -7.839 -1.589 -2.945 1.00 . A A . 2 PRO CB 1 1 13 2784 1 1 2 PRO CD C -10.017 -0.618 -2.632 1.00 . A A . 2 PRO CD 1 1 13 2785 1 1 2 PRO CG C -8.933 -0.844 -3.645 1.00 . A A . 2 PRO CG 1 1 13 2786 1 1 2 PRO HA H -8.405 -2.447 -1.062 1.00 . A A . 2 PRO HA 1 1 13 2787 1 1 2 PRO HB2 H -6.874 -1.151 -3.154 1.00 . A A . 2 PRO HB2 1 1 13 2788 1 1 2 PRO HB3 H -7.830 -2.630 -3.230 1.00 . A A . 2 PRO HB3 1 1 13 2789 1 1 2 PRO HD2 H -10.541 0.306 -2.826 1.00 . A A . 2 PRO HD2 1 1 13 2790 1 1 2 PRO HD3 H -10.700 -1.452 -2.620 1.00 . A A . 2 PRO HD3 1 1 13 2791 1 1 2 PRO HG2 H -8.558 0.100 -4.009 1.00 . A A . 2 PRO HG2 1 1 13 2792 1 1 2 PRO HG3 H -9.304 -1.441 -4.462 1.00 . A A . 2 PRO HG3 1 1 13 2793 1 1 2 PRO N N -9.266 -0.553 -1.386 1.00 . A A . 2 PRO N 1 1 13 2794 1 1 2 PRO O O -6.754 0.208 -0.419 1.00 . A A . 2 PRO O 1 1 13 2795 1 1 3 LEU C C -3.655 -1.321 -0.675 1.00 . A A . 3 LEU C 1 1 13 2796 1 1 3 LEU CA C -4.794 -1.636 0.293 1.00 . A A . 3 LEU CA 1 1 13 2797 1 1 3 LEU CB C -4.381 -2.796 1.208 1.00 . A A . 3 LEU CB 1 1 13 2798 1 1 3 LEU CD1 C -3.372 -5.081 1.414 1.00 . A A . 3 LEU CD1 1 1 13 2799 1 1 3 LEU CD2 C -5.528 -4.799 0.203 1.00 . A A . 3 LEU CD2 1 1 13 2800 1 1 3 LEU CG C -4.186 -4.154 0.525 1.00 . A A . 3 LEU CG 1 1 13 2801 1 1 3 LEU H H -6.239 -2.836 -0.689 1.00 . A A . 3 LEU H 1 1 13 2802 1 1 3 LEU HA H -4.971 -0.767 0.903 1.00 . A A . 3 LEU HA 1 1 13 2803 1 1 3 LEU HB2 H -3.450 -2.527 1.689 1.00 . A A . 3 LEU HB2 1 1 13 2804 1 1 3 LEU HB3 H -5.137 -2.910 1.971 1.00 . A A . 3 LEU HB3 1 1 13 2805 1 1 3 LEU HD11 H -3.486 -6.099 1.072 1.00 . A A . 3 LEU HD11 1 1 13 2806 1 1 3 LEU HD12 H -3.722 -5.002 2.433 1.00 . A A . 3 LEU HD12 1 1 13 2807 1 1 3 LEU HD13 H -2.331 -4.801 1.369 1.00 . A A . 3 LEU HD13 1 1 13 2808 1 1 3 LEU HD21 H -6.314 -4.275 0.724 1.00 . A A . 3 LEU HD21 1 1 13 2809 1 1 3 LEU HD22 H -5.514 -5.832 0.518 1.00 . A A . 3 LEU HD22 1 1 13 2810 1 1 3 LEU HD23 H -5.703 -4.753 -0.861 1.00 . A A . 3 LEU HD23 1 1 13 2811 1 1 3 LEU HG H -3.650 -4.010 -0.401 1.00 . A A . 3 LEU HG 1 1 13 2812 1 1 3 LEU N N -6.037 -1.925 -0.411 1.00 . A A . 3 LEU N 1 1 13 2813 1 1 3 LEU O O -2.559 -0.959 -0.248 1.00 . A A . 3 LEU O 1 1 13 2814 1 1 4 LYS C C -2.241 0.156 -2.786 1.00 . A A . 4 LYS C 1 1 13 2815 1 1 4 LYS CA C -2.885 -1.207 -2.984 1.00 . A A . 4 LYS CA 1 1 13 2816 1 1 4 LYS CB C -3.483 -1.276 -4.384 1.00 . A A . 4 LYS CB 1 1 13 2817 1 1 4 LYS CD C -4.589 -2.669 -6.156 1.00 . A A . 4 LYS CD 1 1 13 2818 1 1 4 LYS CE C -5.581 -1.565 -6.486 1.00 . A A . 4 LYS CE 1 1 13 2819 1 1 4 LYS CG C -4.139 -2.606 -4.704 1.00 . A A . 4 LYS CG 1 1 13 2820 1 1 4 LYS H H -4.795 -1.769 -2.261 1.00 . A A . 4 LYS H 1 1 13 2821 1 1 4 LYS HA H -2.128 -1.964 -2.891 1.00 . A A . 4 LYS HA 1 1 13 2822 1 1 4 LYS HB2 H -4.226 -0.498 -4.484 1.00 . A A . 4 LYS HB2 1 1 13 2823 1 1 4 LYS HB3 H -2.696 -1.101 -5.099 1.00 . A A . 4 LYS HB3 1 1 13 2824 1 1 4 LYS HD2 H -3.725 -2.566 -6.796 1.00 . A A . 4 LYS HD2 1 1 13 2825 1 1 4 LYS HD3 H -5.057 -3.627 -6.334 1.00 . A A . 4 LYS HD3 1 1 13 2826 1 1 4 LYS HE2 H -5.109 -0.611 -6.306 1.00 . A A . 4 LYS HE2 1 1 13 2827 1 1 4 LYS HE3 H -5.850 -1.641 -7.530 1.00 . A A . 4 LYS HE3 1 1 13 2828 1 1 4 LYS HG2 H -3.431 -3.400 -4.521 1.00 . A A . 4 LYS HG2 1 1 13 2829 1 1 4 LYS HG3 H -5.000 -2.731 -4.063 1.00 . A A . 4 LYS HG3 1 1 13 2830 1 1 4 LYS HZ1 H -7.644 -1.810 -6.270 1.00 . A A . 4 LYS HZ1 1 1 13 2831 1 1 4 LYS HZ2 H -6.952 -0.777 -5.123 1.00 . A A . 4 LYS HZ2 1 1 13 2832 1 1 4 LYS HZ3 H -6.742 -2.451 -4.991 1.00 . A A . 4 LYS HZ3 1 1 13 2833 1 1 4 LYS N N -3.907 -1.469 -1.975 1.00 . A A . 4 LYS N 1 1 13 2834 1 1 4 LYS NZ N -6.816 -1.657 -5.659 1.00 . A A . 4 LYS NZ 1 1 13 2835 1 1 4 LYS O O -1.052 0.342 -3.045 1.00 . A A . 4 LYS O 1 1 13 2836 1 1 5 GLN C C -1.778 2.567 -0.799 1.00 . A A . 5 GLN C 1 1 13 2837 1 1 5 GLN CA C -2.568 2.457 -2.100 1.00 . A A . 5 GLN CA 1 1 13 2838 1 1 5 GLN CB C -3.750 3.420 -2.073 1.00 . A A . 5 GLN CB 1 1 13 2839 1 1 5 GLN CD C -5.972 4.027 -1.038 1.00 . A A . 5 GLN CD 1 1 13 2840 1 1 5 GLN CG C -4.822 3.039 -1.065 1.00 . A A . 5 GLN CG 1 1 13 2841 1 1 5 GLN H H -3.975 0.878 -2.152 1.00 . A A . 5 GLN H 1 1 13 2842 1 1 5 GLN HA H -1.920 2.726 -2.921 1.00 . A A . 5 GLN HA 1 1 13 2843 1 1 5 GLN HB2 H -3.386 4.405 -1.825 1.00 . A A . 5 GLN HB2 1 1 13 2844 1 1 5 GLN HB3 H -4.198 3.446 -3.054 1.00 . A A . 5 GLN HB3 1 1 13 2845 1 1 5 GLN HE21 H -7.249 2.584 -1.542 1.00 . A A . 5 GLN HE21 1 1 13 2846 1 1 5 GLN HE22 H -7.939 4.169 -1.316 1.00 . A A . 5 GLN HE22 1 1 13 2847 1 1 5 GLN HG2 H -5.212 2.065 -1.325 1.00 . A A . 5 GLN HG2 1 1 13 2848 1 1 5 GLN HG3 H -4.376 2.998 -0.083 1.00 . A A . 5 GLN HG3 1 1 13 2849 1 1 5 GLN N N -3.040 1.100 -2.333 1.00 . A A . 5 GLN N 1 1 13 2850 1 1 5 GLN NE2 N -7.174 3.544 -1.328 1.00 . A A . 5 GLN NE2 1 1 13 2851 1 1 5 GLN O O -1.243 3.629 -0.479 1.00 . A A . 5 GLN O 1 1 13 2852 1 1 5 GLN OE1 O -5.780 5.211 -0.758 1.00 . A A . 5 GLN OE1 1 1 13 2853 1 1 6 TYR C C 0.491 1.066 0.996 1.00 . A A . 6 TYR C 1 1 13 2854 1 1 6 TYR CA C -0.966 1.463 1.208 1.00 . A A . 6 TYR CA 1 1 13 2855 1 1 6 TYR CB C -1.632 0.528 2.216 1.00 . A A . 6 TYR CB 1 1 13 2856 1 1 6 TYR CD1 C -4.026 1.181 1.746 1.00 . A A . 6 TYR CD1 1 1 13 2857 1 1 6 TYR CD2 C -3.256 1.266 4.000 1.00 . A A . 6 TYR CD2 1 1 13 2858 1 1 6 TYR CE1 C -5.273 1.615 2.153 1.00 . A A . 6 TYR CE1 1 1 13 2859 1 1 6 TYR CE2 C -4.501 1.700 4.414 1.00 . A A . 6 TYR CE2 1 1 13 2860 1 1 6 TYR CG C -2.998 0.999 2.662 1.00 . A A . 6 TYR CG 1 1 13 2861 1 1 6 TYR CZ C -5.506 1.873 3.487 1.00 . A A . 6 TYR CZ 1 1 13 2862 1 1 6 TYR H H -2.141 0.648 -0.361 1.00 . A A . 6 TYR H 1 1 13 2863 1 1 6 TYR HA H -0.989 2.467 1.600 1.00 . A A . 6 TYR HA 1 1 13 2864 1 1 6 TYR HB2 H -1.748 -0.450 1.771 1.00 . A A . 6 TYR HB2 1 1 13 2865 1 1 6 TYR HB3 H -1.005 0.447 3.092 1.00 . A A . 6 TYR HB3 1 1 13 2866 1 1 6 TYR HD1 H -3.842 0.975 0.702 1.00 . A A . 6 TYR HD1 1 1 13 2867 1 1 6 TYR HD2 H -2.466 1.131 4.723 1.00 . A A . 6 TYR HD2 1 1 13 2868 1 1 6 TYR HE1 H -6.061 1.751 1.425 1.00 . A A . 6 TYR HE1 1 1 13 2869 1 1 6 TYR HE2 H -4.681 1.901 5.459 1.00 . A A . 6 TYR HE2 1 1 13 2870 1 1 6 TYR HH H -6.730 3.256 4.018 1.00 . A A . 6 TYR HH 1 1 13 2871 1 1 6 TYR N N -1.701 1.471 -0.054 1.00 . A A . 6 TYR N 1 1 13 2872 1 1 6 TYR O O 1.353 1.369 1.821 1.00 . A A . 6 TYR O 1 1 13 2873 1 1 6 TYR OH O -6.747 2.304 3.895 1.00 . A A . 6 TYR OH 1 1 13 2874 1 1 7 TRP C C 2.955 1.101 -0.901 1.00 . A A . 7 TRP C 1 1 13 2875 1 1 7 TRP CA C 2.092 -0.058 -0.441 1.00 . A A . 7 TRP CA 1 1 13 2876 1 1 7 TRP CB C 2.021 -1.129 -1.521 1.00 . A A . 7 TRP CB 1 1 13 2877 1 1 7 TRP CD1 C -0.283 -2.219 -1.222 1.00 . A A . 7 TRP CD1 1 1 13 2878 1 1 7 TRP CD2 C 1.441 -3.510 -0.673 1.00 . A A . 7 TRP CD2 1 1 13 2879 1 1 7 TRP CE2 C 0.264 -4.246 -0.470 1.00 . A A . 7 TRP CE2 1 1 13 2880 1 1 7 TRP CE3 C 2.660 -4.092 -0.394 1.00 . A A . 7 TRP CE3 1 1 13 2881 1 1 7 TRP CG C 1.079 -2.238 -1.176 1.00 . A A . 7 TRP CG 1 1 13 2882 1 1 7 TRP CH2 C 1.503 -6.110 0.281 1.00 . A A . 7 TRP CH2 1 1 13 2883 1 1 7 TRP CZ2 C 0.280 -5.554 0.008 1.00 . A A . 7 TRP CZ2 1 1 13 2884 1 1 7 TRP CZ3 C 2.690 -5.388 0.086 1.00 . A A . 7 TRP CZ3 1 1 13 2885 1 1 7 TRP H H 0.039 0.170 -0.719 1.00 . A A . 7 TRP H 1 1 13 2886 1 1 7 TRP HA H 2.534 -0.475 0.449 1.00 . A A . 7 TRP HA 1 1 13 2887 1 1 7 TRP HB2 H 1.685 -0.680 -2.443 1.00 . A A . 7 TRP HB2 1 1 13 2888 1 1 7 TRP HB3 H 3.002 -1.555 -1.669 1.00 . A A . 7 TRP HB3 1 1 13 2889 1 1 7 TRP HD1 H -0.864 -1.376 -1.554 1.00 . A A . 7 TRP HD1 1 1 13 2890 1 1 7 TRP HE1 H -1.733 -3.679 -0.784 1.00 . A A . 7 TRP HE1 1 1 13 2891 1 1 7 TRP HE3 H 3.569 -3.533 -0.536 1.00 . A A . 7 TRP HE3 1 1 13 2892 1 1 7 TRP HH2 H 1.568 -7.120 0.656 1.00 . A A . 7 TRP HH2 1 1 13 2893 1 1 7 TRP HZ2 H -0.626 -6.120 0.161 1.00 . A A . 7 TRP HZ2 1 1 13 2894 1 1 7 TRP HZ3 H 3.635 -5.859 0.311 1.00 . A A . 7 TRP HZ3 1 1 13 2895 1 1 7 TRP N N 0.757 0.386 -0.111 1.00 . A A . 7 TRP N 1 1 13 2896 1 1 7 TRP NE1 N -0.785 -3.436 -0.821 1.00 . A A . 7 TRP NE1 1 1 13 2897 1 1 7 TRP O O 3.542 1.075 -1.983 1.00 . A A . 7 TRP O 1 1 13 2898 1 1 8 TRP C C 5.197 3.162 0.269 1.00 . A A . 8 TRP C 1 1 13 2899 1 1 8 TRP CA C 3.810 3.294 -0.337 1.00 . A A . 8 TRP CA 1 1 13 2900 1 1 8 TRP CB C 3.097 4.512 0.232 1.00 . A A . 8 TRP CB 1 1 13 2901 1 1 8 TRP CD1 C 4.031 6.306 -1.342 1.00 . A A . 8 TRP CD1 1 1 13 2902 1 1 8 TRP CD2 C 4.245 6.791 0.834 1.00 . A A . 8 TRP CD2 1 1 13 2903 1 1 8 TRP CE2 C 4.793 7.848 0.083 1.00 . A A . 8 TRP CE2 1 1 13 2904 1 1 8 TRP CE3 C 4.264 6.875 2.229 1.00 . A A . 8 TRP CE3 1 1 13 2905 1 1 8 TRP CG C 3.765 5.813 -0.097 1.00 . A A . 8 TRP CG 1 1 13 2906 1 1 8 TRP CH2 C 5.361 9.028 2.047 1.00 . A A . 8 TRP CH2 1 1 13 2907 1 1 8 TRP CZ2 C 5.356 8.973 0.681 1.00 . A A . 8 TRP CZ2 1 1 13 2908 1 1 8 TRP CZ3 C 4.823 7.993 2.821 1.00 . A A . 8 TRP CZ3 1 1 13 2909 1 1 8 TRP H H 2.528 2.052 0.782 1.00 . A A . 8 TRP H 1 1 13 2910 1 1 8 TRP HA H 3.897 3.400 -1.407 1.00 . A A . 8 TRP HA 1 1 13 2911 1 1 8 TRP HB2 H 2.097 4.532 -0.158 1.00 . A A . 8 TRP HB2 1 1 13 2912 1 1 8 TRP HB3 H 3.054 4.422 1.309 1.00 . A A . 8 TRP HB3 1 1 13 2913 1 1 8 TRP HD1 H 3.787 5.797 -2.263 1.00 . A A . 8 TRP HD1 1 1 13 2914 1 1 8 TRP HE1 H 4.943 8.081 -1.996 1.00 . A A . 8 TRP HE1 1 1 13 2915 1 1 8 TRP HE3 H 3.855 6.086 2.843 1.00 . A A . 8 TRP HE3 1 1 13 2916 1 1 8 TRP HH2 H 5.788 9.882 2.553 1.00 . A A . 8 TRP HH2 1 1 13 2917 1 1 8 TRP HZ2 H 5.774 9.780 0.098 1.00 . A A . 8 TRP HZ2 1 1 13 2918 1 1 8 TRP HZ3 H 4.848 8.075 3.898 1.00 . A A . 8 TRP HZ3 1 1 13 2919 1 1 8 TRP N N 3.023 2.108 -0.058 1.00 . A A . 8 TRP N 1 1 13 2920 1 1 8 TRP NE1 N 4.651 7.529 -1.242 1.00 . A A . 8 TRP NE1 1 1 13 2921 1 1 8 TRP O O 6.176 3.674 -0.274 1.00 . A A . 8 TRP O 1 1 13 2922 1 1 9 ARG C C 6.769 0.826 2.534 1.00 . A A . 9 ARG C 1 1 13 2923 1 1 9 ARG CA C 6.547 2.275 2.085 1.00 . A A . 9 ARG CA 1 1 13 2924 1 1 9 ARG CB C 6.635 3.191 3.301 1.00 . A A . 9 ARG CB 1 1 13 2925 1 1 9 ARG CD C 7.758 5.055 2.049 1.00 . A A . 9 ARG CD 1 1 13 2926 1 1 9 ARG CG C 6.600 4.669 2.953 1.00 . A A . 9 ARG CG 1 1 13 2927 1 1 9 ARG CZ C 10.224 5.025 2.080 1.00 . A A . 9 ARG CZ 1 1 13 2928 1 1 9 ARG H H 4.454 2.090 1.788 1.00 . A A . 9 ARG H 1 1 13 2929 1 1 9 ARG HA H 7.332 2.543 1.397 1.00 . A A . 9 ARG HA 1 1 13 2930 1 1 9 ARG HB2 H 5.804 2.976 3.957 1.00 . A A . 9 ARG HB2 1 1 13 2931 1 1 9 ARG HB3 H 7.557 2.987 3.825 1.00 . A A . 9 ARG HB3 1 1 13 2932 1 1 9 ARG HD2 H 7.687 4.490 1.132 1.00 . A A . 9 ARG HD2 1 1 13 2933 1 1 9 ARG HD3 H 7.689 6.110 1.826 1.00 . A A . 9 ARG HD3 1 1 13 2934 1 1 9 ARG HE H 9.052 4.408 3.574 1.00 . A A . 9 ARG HE 1 1 13 2935 1 1 9 ARG HG2 H 5.673 4.885 2.445 1.00 . A A . 9 ARG HG2 1 1 13 2936 1 1 9 ARG HG3 H 6.657 5.246 3.866 1.00 . A A . 9 ARG HG3 1 1 13 2937 1 1 9 ARG HH11 H 9.413 5.746 0.372 1.00 . A A . 9 ARG HH11 1 1 13 2938 1 1 9 ARG HH12 H 11.143 5.714 0.417 1.00 . A A . 9 ARG HH12 1 1 13 2939 1 1 9 ARG HH21 H 11.330 4.365 3.637 1.00 . A A . 9 ARG HH21 1 1 13 2940 1 1 9 ARG HH22 H 12.233 4.929 2.269 1.00 . A A . 9 ARG HH22 1 1 13 2941 1 1 9 ARG N N 5.274 2.472 1.403 1.00 . A A . 9 ARG N 1 1 13 2942 1 1 9 ARG NE N 9.054 4.787 2.670 1.00 . A A . 9 ARG NE 1 1 13 2943 1 1 9 ARG NH1 N 10.264 5.537 0.856 1.00 . A A . 9 ARG NH1 1 1 13 2944 1 1 9 ARG NH2 N 11.354 4.751 2.714 1.00 . A A . 9 ARG NH2 1 1 13 2945 1 1 9 ARG O O 7.608 0.580 3.403 1.00 . A A . 9 ARG O 1 1 13 2946 1 1 10 PRO C C 7.573 -2.115 1.904 1.00 . A A . 10 PRO C 1 1 13 2947 1 1 10 PRO CA C 6.233 -1.568 2.363 1.00 . A A . 10 PRO CA 1 1 13 2948 1 1 10 PRO CB C 5.093 -2.280 1.643 1.00 . A A . 10 PRO CB 1 1 13 2949 1 1 10 PRO CD C 5.017 -0.031 0.920 1.00 . A A . 10 PRO CD 1 1 13 2950 1 1 10 PRO CG C 4.869 -1.446 0.436 1.00 . A A . 10 PRO CG 1 1 13 2951 1 1 10 PRO HA H 6.139 -1.699 3.428 1.00 . A A . 10 PRO HA 1 1 13 2952 1 1 10 PRO HB2 H 5.394 -3.287 1.388 1.00 . A A . 10 PRO HB2 1 1 13 2953 1 1 10 PRO HB3 H 4.221 -2.302 2.278 1.00 . A A . 10 PRO HB3 1 1 13 2954 1 1 10 PRO HD2 H 5.345 0.619 0.118 1.00 . A A . 10 PRO HD2 1 1 13 2955 1 1 10 PRO HD3 H 4.087 0.321 1.338 1.00 . A A . 10 PRO HD3 1 1 13 2956 1 1 10 PRO HG2 H 5.615 -1.671 -0.313 1.00 . A A . 10 PRO HG2 1 1 13 2957 1 1 10 PRO HG3 H 3.880 -1.615 0.050 1.00 . A A . 10 PRO HG3 1 1 13 2958 1 1 10 PRO N N 6.050 -0.164 1.970 1.00 . A A . 10 PRO N 1 1 13 2959 1 1 10 PRO O O 8.147 -3.000 2.538 1.00 . A A . 10 PRO O 1 1 13 2960 1 1 11 SER C C 10.469 -1.845 1.285 1.00 . A A . 11 SER C 1 1 13 2961 1 1 11 SER CA C 9.350 -1.999 0.253 1.00 . A A . 11 SER CA 1 1 13 2962 1 1 11 SER CB C 9.683 -1.191 -1.003 1.00 . A A . 11 SER CB 1 1 13 2963 1 1 11 SER H H 7.562 -0.869 0.345 1.00 . A A . 11 SER H 1 1 13 2964 1 1 11 SER HA H 9.267 -3.042 -0.015 1.00 . A A . 11 SER HA 1 1 13 2965 1 1 11 SER HB2 H 9.738 -0.143 -0.750 1.00 . A A . 11 SER HB2 1 1 13 2966 1 1 11 SER HB3 H 10.634 -1.517 -1.397 1.00 . A A . 11 SER HB3 1 1 13 2967 1 1 11 SER HG H 7.821 -1.332 -1.597 1.00 . A A . 11 SER HG 1 1 13 2968 1 1 11 SER N N 8.070 -1.575 0.800 1.00 . A A . 11 SER N 1 1 13 2969 1 1 11 SER O O 11.561 -2.389 1.111 1.00 . A A . 11 SER O 1 1 13 2970 1 1 11 SER OG O 8.690 -1.369 -2.000 1.00 . A A . 11 SER OG 1 1 13 2971 1 1 12 ILE C C 11.620 -2.221 4.019 1.00 . A A . 12 ILE C 1 1 13 2972 1 1 12 ILE CA C 11.188 -0.890 3.408 1.00 . A A . 12 ILE CA 1 1 13 2973 1 1 12 ILE CB C 10.637 0.039 4.516 1.00 . A A . 12 ILE CB 1 1 13 2974 1 1 12 ILE CD1 C 12.190 -0.814 6.369 1.00 . A A . 12 ILE CD1 1 1 13 2975 1 1 12 ILE CG1 C 11.718 0.372 5.554 1.00 . A A . 12 ILE CG1 1 1 13 2976 1 1 12 ILE CG2 C 9.430 -0.596 5.191 1.00 . A A . 12 ILE CG2 1 1 13 2977 1 1 12 ILE H H 9.310 -0.694 2.452 1.00 . A A . 12 ILE H 1 1 13 2978 1 1 12 ILE HA H 12.048 -0.414 2.961 1.00 . A A . 12 ILE HA 1 1 13 2979 1 1 12 ILE HB H 10.309 0.955 4.047 1.00 . A A . 12 ILE HB 1 1 13 2980 1 1 12 ILE HD11 H 13.051 -1.259 5.893 1.00 . A A . 12 ILE HD11 1 1 13 2981 1 1 12 ILE HD12 H 11.397 -1.546 6.433 1.00 . A A . 12 ILE HD12 1 1 13 2982 1 1 12 ILE HD13 H 12.457 -0.485 7.363 1.00 . A A . 12 ILE HD13 1 1 13 2983 1 1 12 ILE HG12 H 12.578 0.782 5.047 1.00 . A A . 12 ILE HG12 1 1 13 2984 1 1 12 ILE HG13 H 11.329 1.111 6.240 1.00 . A A . 12 ILE HG13 1 1 13 2985 1 1 12 ILE HG21 H 8.682 0.160 5.378 1.00 . A A . 12 ILE HG21 1 1 13 2986 1 1 12 ILE HG22 H 9.731 -1.042 6.127 1.00 . A A . 12 ILE HG22 1 1 13 2987 1 1 12 ILE HG23 H 9.016 -1.359 4.547 1.00 . A A . 12 ILE HG23 1 1 13 2988 1 1 12 ILE N N 10.196 -1.104 2.360 1.00 . A A . 12 ILE N 1 1 13 2989 1 1 12 ILE O O 12.833 -2.518 3.989 1.00 . A A . 12 ILE O 1 1 13 2990 1 1 12 ILE OXT O 10.741 -2.953 4.522 1.00 . A A . 12 ILE OXT 1 1 14 2991 1 1 1 HIS C C -9.759 0.381 -1.389 1.00 . A A . 1 HIS C 1 1 14 2992 1 1 1 HIS CA C -10.661 1.412 -2.075 1.00 . A A . 1 HIS CA 1 1 14 2993 1 1 1 HIS CB C -11.953 0.751 -2.569 1.00 . A A . 1 HIS CB 1 1 14 2994 1 1 1 HIS CD2 C -13.085 -1.248 -1.363 1.00 . A A . 1 HIS CD2 1 1 14 2995 1 1 1 HIS CE1 C -13.835 -0.177 0.398 1.00 . A A . 1 HIS CE1 1 1 14 2996 1 1 1 HIS CG C -12.720 0.050 -1.490 1.00 . A A . 1 HIS CG 1 1 14 2997 1 1 1 HIS H1 H -10.492 1.814 -4.094 1.00 . A A . 1 HIS H1 1 1 14 2998 1 1 1 HIS H2 H -8.997 1.714 -3.256 1.00 . A A . 1 HIS H2 1 1 14 2999 1 1 1 HIS H3 H -10.000 3.092 -3.064 1.00 . A A . 1 HIS H3 1 1 14 3000 1 1 1 HIS HA H -10.913 2.177 -1.356 1.00 . A A . 1 HIS HA 1 1 14 3001 1 1 1 HIS HB2 H -12.597 1.509 -2.991 1.00 . A A . 1 HIS HB2 1 1 14 3002 1 1 1 HIS HB3 H -11.716 0.027 -3.333 1.00 . A A . 1 HIS HB3 1 1 14 3003 1 1 1 HIS HD1 H -13.103 1.647 -0.170 1.00 . A A . 1 HIS HD1 1 1 14 3004 1 1 1 HIS HD2 H -12.872 -2.045 -2.062 1.00 . A A . 1 HIS HD2 1 1 14 3005 1 1 1 HIS HE1 H -14.316 0.044 1.339 1.00 . A A . 1 HIS HE1 1 1 14 3006 1 1 1 HIS HE2 H -14.088 -2.202 0.216 1.00 . A A . 1 HIS HE2 1 1 14 3007 1 1 1 HIS N N -9.975 2.066 -3.226 1.00 . A A . 1 HIS N 1 1 14 3008 1 1 1 HIS ND1 N -13.205 0.694 -0.371 1.00 . A A . 1 HIS ND1 1 1 14 3009 1 1 1 HIS NE2 N -13.777 -1.362 -0.182 1.00 . A A . 1 HIS NE2 1 1 14 3010 1 1 1 HIS O O -9.500 0.484 -0.191 1.00 . A A . 1 HIS O 1 1 14 3011 1 1 2 PRO C C -7.201 -1.123 -0.854 1.00 . A A . 2 PRO C 1 1 14 3012 1 1 2 PRO CA C -8.408 -1.682 -1.584 1.00 . A A . 2 PRO CA 1 1 14 3013 1 1 2 PRO CB C -7.951 -2.467 -2.825 1.00 . A A . 2 PRO CB 1 1 14 3014 1 1 2 PRO CD C -9.525 -0.872 -3.556 1.00 . A A . 2 PRO CD 1 1 14 3015 1 1 2 PRO CG C -8.281 -1.582 -3.975 1.00 . A A . 2 PRO CG 1 1 14 3016 1 1 2 PRO HA H -8.954 -2.339 -0.922 1.00 . A A . 2 PRO HA 1 1 14 3017 1 1 2 PRO HB2 H -6.890 -2.658 -2.764 1.00 . A A . 2 PRO HB2 1 1 14 3018 1 1 2 PRO HB3 H -8.489 -3.403 -2.881 1.00 . A A . 2 PRO HB3 1 1 14 3019 1 1 2 PRO HD2 H -9.645 0.050 -4.101 1.00 . A A . 2 PRO HD2 1 1 14 3020 1 1 2 PRO HD3 H -10.376 -1.515 -3.688 1.00 . A A . 2 PRO HD3 1 1 14 3021 1 1 2 PRO HG2 H -7.480 -0.876 -4.141 1.00 . A A . 2 PRO HG2 1 1 14 3022 1 1 2 PRO HG3 H -8.461 -2.173 -4.859 1.00 . A A . 2 PRO HG3 1 1 14 3023 1 1 2 PRO N N -9.275 -0.635 -2.132 1.00 . A A . 2 PRO N 1 1 14 3024 1 1 2 PRO O O -7.131 0.064 -0.538 1.00 . A A . 2 PRO O 1 1 14 3025 1 1 3 LEU C C -3.926 -1.198 -0.879 1.00 . A A . 3 LEU C 1 1 14 3026 1 1 3 LEU CA C -5.021 -1.627 0.096 1.00 . A A . 3 LEU CA 1 1 14 3027 1 1 3 LEU CB C -4.524 -2.779 0.976 1.00 . A A . 3 LEU CB 1 1 14 3028 1 1 3 LEU CD1 C -3.220 -4.000 -0.798 1.00 . A A . 3 LEU CD1 1 1 14 3029 1 1 3 LEU CD2 C -3.959 -5.206 1.261 1.00 . A A . 3 LEU CD2 1 1 14 3030 1 1 3 LEU CG C -4.307 -4.116 0.258 1.00 . A A . 3 LEU CG 1 1 14 3031 1 1 3 LEU H H -6.378 -2.930 -0.888 1.00 . A A . 3 LEU H 1 1 14 3032 1 1 3 LEU HA H -5.259 -0.789 0.729 1.00 . A A . 3 LEU HA 1 1 14 3033 1 1 3 LEU HB2 H -3.584 -2.480 1.419 1.00 . A A . 3 LEU HB2 1 1 14 3034 1 1 3 LEU HB3 H -5.241 -2.934 1.768 1.00 . A A . 3 LEU HB3 1 1 14 3035 1 1 3 LEU HD11 H -2.846 -4.984 -1.042 1.00 . A A . 3 LEU HD11 1 1 14 3036 1 1 3 LEU HD12 H -2.411 -3.394 -0.418 1.00 . A A . 3 LEU HD12 1 1 14 3037 1 1 3 LEU HD13 H -3.627 -3.539 -1.687 1.00 . A A . 3 LEU HD13 1 1 14 3038 1 1 3 LEU HD21 H -2.887 -5.326 1.305 1.00 . A A . 3 LEU HD21 1 1 14 3039 1 1 3 LEU HD22 H -4.414 -6.136 0.954 1.00 . A A . 3 LEU HD22 1 1 14 3040 1 1 3 LEU HD23 H -4.332 -4.928 2.237 1.00 . A A . 3 LEU HD23 1 1 14 3041 1 1 3 LEU HG H -5.222 -4.400 -0.239 1.00 . A A . 3 LEU HG 1 1 14 3042 1 1 3 LEU N N -6.249 -2.003 -0.598 1.00 . A A . 3 LEU N 1 1 14 3043 1 1 3 LEU O O -2.745 -1.194 -0.530 1.00 . A A . 3 LEU O 1 1 14 3044 1 1 4 LYS C C -2.503 0.744 -2.615 1.00 . A A . 4 LYS C 1 1 14 3045 1 1 4 LYS CA C -3.354 -0.417 -3.107 1.00 . A A . 4 LYS CA 1 1 14 3046 1 1 4 LYS CB C -4.076 -0.006 -4.383 1.00 . A A . 4 LYS CB 1 1 14 3047 1 1 4 LYS CD C -4.072 -2.299 -5.388 1.00 . A A . 4 LYS CD 1 1 14 3048 1 1 4 LYS CE C -4.910 -3.374 -6.050 1.00 . A A . 4 LYS CE 1 1 14 3049 1 1 4 LYS CG C -4.923 -1.109 -4.978 1.00 . A A . 4 LYS CG 1 1 14 3050 1 1 4 LYS H H -5.266 -0.863 -2.323 1.00 . A A . 4 LYS H 1 1 14 3051 1 1 4 LYS HA H -2.712 -1.254 -3.322 1.00 . A A . 4 LYS HA 1 1 14 3052 1 1 4 LYS HB2 H -4.715 0.837 -4.168 1.00 . A A . 4 LYS HB2 1 1 14 3053 1 1 4 LYS HB3 H -3.339 0.286 -5.110 1.00 . A A . 4 LYS HB3 1 1 14 3054 1 1 4 LYS HD2 H -3.315 -1.965 -6.082 1.00 . A A . 4 LYS HD2 1 1 14 3055 1 1 4 LYS HD3 H -3.600 -2.711 -4.507 1.00 . A A . 4 LYS HD3 1 1 14 3056 1 1 4 LYS HE2 H -5.374 -2.954 -6.929 1.00 . A A . 4 LYS HE2 1 1 14 3057 1 1 4 LYS HE3 H -4.261 -4.188 -6.339 1.00 . A A . 4 LYS HE3 1 1 14 3058 1 1 4 LYS HG2 H -5.643 -1.431 -4.239 1.00 . A A . 4 LYS HG2 1 1 14 3059 1 1 4 LYS HG3 H -5.439 -0.726 -5.847 1.00 . A A . 4 LYS HG3 1 1 14 3060 1 1 4 LYS HZ1 H -6.868 -3.404 -5.326 1.00 . A A . 4 LYS HZ1 1 1 14 3061 1 1 4 LYS HZ2 H -5.697 -3.736 -4.150 1.00 . A A . 4 LYS HZ2 1 1 14 3062 1 1 4 LYS HZ3 H -6.104 -4.912 -5.295 1.00 . A A . 4 LYS HZ3 1 1 14 3063 1 1 4 LYS N N -4.315 -0.841 -2.098 1.00 . A A . 4 LYS N 1 1 14 3064 1 1 4 LYS NZ N -5.970 -3.893 -5.141 1.00 . A A . 4 LYS NZ 1 1 14 3065 1 1 4 LYS O O -1.393 0.969 -3.091 1.00 . A A . 4 LYS O 1 1 14 3066 1 1 5 GLN C C -1.474 2.215 0.088 1.00 . A A . 5 GLN C 1 1 14 3067 1 1 5 GLN CA C -2.326 2.621 -1.106 1.00 . A A . 5 GLN CA 1 1 14 3068 1 1 5 GLN CB C -3.315 3.695 -0.686 1.00 . A A . 5 GLN CB 1 1 14 3069 1 1 5 GLN CD C -5.347 4.271 0.702 1.00 . A A . 5 GLN CD 1 1 14 3070 1 1 5 GLN CG C -4.396 3.180 0.250 1.00 . A A . 5 GLN CG 1 1 14 3071 1 1 5 GLN H H -3.925 1.259 -1.327 1.00 . A A . 5 GLN H 1 1 14 3072 1 1 5 GLN HA H -1.681 3.021 -1.874 1.00 . A A . 5 GLN HA 1 1 14 3073 1 1 5 GLN HB2 H -2.774 4.479 -0.182 1.00 . A A . 5 GLN HB2 1 1 14 3074 1 1 5 GLN HB3 H -3.788 4.097 -1.567 1.00 . A A . 5 GLN HB3 1 1 14 3075 1 1 5 GLN HE21 H -4.857 3.937 2.604 1.00 . A A . 5 GLN HE21 1 1 14 3076 1 1 5 GLN HE22 H -6.032 5.194 2.329 1.00 . A A . 5 GLN HE22 1 1 14 3077 1 1 5 GLN HG2 H -4.965 2.419 -0.266 1.00 . A A . 5 GLN HG2 1 1 14 3078 1 1 5 GLN HG3 H -3.924 2.747 1.119 1.00 . A A . 5 GLN HG3 1 1 14 3079 1 1 5 GLN N N -3.034 1.483 -1.664 1.00 . A A . 5 GLN N 1 1 14 3080 1 1 5 GLN NE2 N -5.420 4.489 2.010 1.00 . A A . 5 GLN NE2 1 1 14 3081 1 1 5 GLN O O -0.907 3.064 0.774 1.00 . A A . 5 GLN O 1 1 14 3082 1 1 5 GLN OE1 O -6.012 4.910 -0.115 1.00 . A A . 5 GLN OE1 1 1 14 3083 1 1 6 TYR C C 0.842 0.145 1.039 1.00 . A A . 6 TYR C 1 1 14 3084 1 1 6 TYR CA C -0.593 0.418 1.453 1.00 . A A . 6 TYR CA 1 1 14 3085 1 1 6 TYR CB C -1.220 -0.840 2.055 1.00 . A A . 6 TYR CB 1 1 14 3086 1 1 6 TYR CD1 C -3.589 0.023 2.196 1.00 . A A . 6 TYR CD1 1 1 14 3087 1 1 6 TYR CD2 C -2.613 -0.913 4.157 1.00 . A A . 6 TYR CD2 1 1 14 3088 1 1 6 TYR CE1 C -4.757 0.273 2.893 1.00 . A A . 6 TYR CE1 1 1 14 3089 1 1 6 TYR CE2 C -3.777 -0.669 4.861 1.00 . A A . 6 TYR CE2 1 1 14 3090 1 1 6 TYR CG C -2.500 -0.573 2.815 1.00 . A A . 6 TYR CG 1 1 14 3091 1 1 6 TYR CZ C -4.845 -0.076 4.224 1.00 . A A . 6 TYR CZ 1 1 14 3092 1 1 6 TYR H H -1.855 0.277 -0.247 1.00 . A A . 6 TYR H 1 1 14 3093 1 1 6 TYR HA H -0.584 1.188 2.200 1.00 . A A . 6 TYR HA 1 1 14 3094 1 1 6 TYR HB2 H -1.446 -1.537 1.261 1.00 . A A . 6 TYR HB2 1 1 14 3095 1 1 6 TYR HB3 H -0.517 -1.295 2.737 1.00 . A A . 6 TYR HB3 1 1 14 3096 1 1 6 TYR HD1 H -3.517 0.291 1.153 1.00 . A A . 6 TYR HD1 1 1 14 3097 1 1 6 TYR HD2 H -1.773 -1.378 4.653 1.00 . A A . 6 TYR HD2 1 1 14 3098 1 1 6 TYR HE1 H -5.593 0.738 2.394 1.00 . A A . 6 TYR HE1 1 1 14 3099 1 1 6 TYR HE2 H -3.845 -0.942 5.903 1.00 . A A . 6 TYR HE2 1 1 14 3100 1 1 6 TYR HH H -6.367 1.018 4.650 1.00 . A A . 6 TYR HH 1 1 14 3101 1 1 6 TYR N N -1.384 0.914 0.336 1.00 . A A . 6 TYR N 1 1 14 3102 1 1 6 TYR O O 1.758 0.224 1.858 1.00 . A A . 6 TYR O 1 1 14 3103 1 1 6 TYR OH O -6.006 0.172 4.921 1.00 . A A . 6 TYR OH 1 1 14 3104 1 1 7 TRP C C 3.017 0.841 -1.270 1.00 . A A . 7 TRP C 1 1 14 3105 1 1 7 TRP CA C 2.372 -0.428 -0.740 1.00 . A A . 7 TRP CA 1 1 14 3106 1 1 7 TRP CB C 2.359 -1.519 -1.801 1.00 . A A . 7 TRP CB 1 1 14 3107 1 1 7 TRP CD1 C 0.097 -1.261 -2.940 1.00 . A A . 7 TRP CD1 1 1 14 3108 1 1 7 TRP CD2 C 1.851 -0.849 -4.244 1.00 . A A . 7 TRP CD2 1 1 14 3109 1 1 7 TRP CE2 C 0.691 -0.687 -5.015 1.00 . A A . 7 TRP CE2 1 1 14 3110 1 1 7 TRP CE3 C 3.088 -0.639 -4.824 1.00 . A A . 7 TRP CE3 1 1 14 3111 1 1 7 TRP CG C 1.451 -1.236 -2.942 1.00 . A A . 7 TRP CG 1 1 14 3112 1 1 7 TRP CH2 C 1.976 -0.115 -6.911 1.00 . A A . 7 TRP CH2 1 1 14 3113 1 1 7 TRP CZ2 C 0.740 -0.320 -6.357 1.00 . A A . 7 TRP CZ2 1 1 14 3114 1 1 7 TRP CZ3 C 3.147 -0.271 -6.155 1.00 . A A . 7 TRP CZ3 1 1 14 3115 1 1 7 TRP H H 0.273 -0.184 -0.843 1.00 . A A . 7 TRP H 1 1 14 3116 1 1 7 TRP HA H 2.956 -0.773 0.087 1.00 . A A . 7 TRP HA 1 1 14 3117 1 1 7 TRP HB2 H 3.357 -1.639 -2.193 1.00 . A A . 7 TRP HB2 1 1 14 3118 1 1 7 TRP HB3 H 2.043 -2.447 -1.345 1.00 . A A . 7 TRP HB3 1 1 14 3119 1 1 7 TRP HD1 H -0.500 -1.511 -2.073 1.00 . A A . 7 TRP HD1 1 1 14 3120 1 1 7 TRP HE1 H -1.320 -0.921 -4.461 1.00 . A A . 7 TRP HE1 1 1 14 3121 1 1 7 TRP HE3 H 3.989 -0.751 -4.238 1.00 . A A . 7 TRP HE3 1 1 14 3122 1 1 7 TRP HH2 H 2.064 0.174 -7.947 1.00 . A A . 7 TRP HH2 1 1 14 3123 1 1 7 TRP HZ2 H -0.154 -0.197 -6.950 1.00 . A A . 7 TRP HZ2 1 1 14 3124 1 1 7 TRP HZ3 H 4.105 -0.101 -6.625 1.00 . A A . 7 TRP HZ3 1 1 14 3125 1 1 7 TRP N N 1.037 -0.161 -0.233 1.00 . A A . 7 TRP N 1 1 14 3126 1 1 7 TRP NE1 N -0.378 -0.955 -4.198 1.00 . A A . 7 TRP NE1 1 1 14 3127 1 1 7 TRP O O 3.410 0.918 -2.434 1.00 . A A . 7 TRP O 1 1 14 3128 1 1 8 TRP C C 5.174 3.171 -0.378 1.00 . A A . 8 TRP C 1 1 14 3129 1 1 8 TRP CA C 3.702 3.117 -0.762 1.00 . A A . 8 TRP CA 1 1 14 3130 1 1 8 TRP CB C 2.947 4.241 -0.058 1.00 . A A . 8 TRP CB 1 1 14 3131 1 1 8 TRP CD1 C 3.358 6.136 -1.733 1.00 . A A . 8 TRP CD1 1 1 14 3132 1 1 8 TRP CD2 C 3.939 6.629 0.371 1.00 . A A . 8 TRP CD2 1 1 14 3133 1 1 8 TRP CE2 C 4.213 7.745 -0.443 1.00 . A A . 8 TRP CE2 1 1 14 3134 1 1 8 TRP CE3 C 4.222 6.707 1.738 1.00 . A A . 8 TRP CE3 1 1 14 3135 1 1 8 TRP CG C 3.393 5.611 -0.474 1.00 . A A . 8 TRP CG 1 1 14 3136 1 1 8 TRP CH2 C 5.024 8.970 1.406 1.00 . A A . 8 TRP CH2 1 1 14 3137 1 1 8 TRP CZ2 C 4.756 8.922 0.065 1.00 . A A . 8 TRP CZ2 1 1 14 3138 1 1 8 TRP CZ3 C 4.762 7.875 2.241 1.00 . A A . 8 TRP CZ3 1 1 14 3139 1 1 8 TRP H H 2.772 1.707 0.508 1.00 . A A . 8 TRP H 1 1 14 3140 1 1 8 TRP HA H 3.608 3.244 -1.830 1.00 . A A . 8 TRP HA 1 1 14 3141 1 1 8 TRP HB2 H 1.896 4.147 -0.272 1.00 . A A . 8 TRP HB2 1 1 14 3142 1 1 8 TRP HB3 H 3.100 4.152 1.007 1.00 . A A . 8 TRP HB3 1 1 14 3143 1 1 8 TRP HD1 H 2.995 5.608 -2.603 1.00 . A A . 8 TRP HD1 1 1 14 3144 1 1 8 TRP HE1 H 3.927 8.005 -2.505 1.00 . A A . 8 TRP HE1 1 1 14 3145 1 1 8 TRP HE3 H 4.028 5.874 2.396 1.00 . A A . 8 TRP HE3 1 1 14 3146 1 1 8 TRP HH2 H 5.446 9.862 1.842 1.00 . A A . 8 TRP HH2 1 1 14 3147 1 1 8 TRP HZ2 H 4.963 9.775 -0.565 1.00 . A A . 8 TRP HZ2 1 1 14 3148 1 1 8 TRP HZ3 H 4.989 7.953 3.294 1.00 . A A . 8 TRP HZ3 1 1 14 3149 1 1 8 TRP N N 3.114 1.836 -0.402 1.00 . A A . 8 TRP N 1 1 14 3150 1 1 8 TRP NE1 N 3.850 7.419 -1.723 1.00 . A A . 8 TRP NE1 1 1 14 3151 1 1 8 TRP O O 5.960 3.890 -0.994 1.00 . A A . 8 TRP O 1 1 14 3152 1 1 9 ARG C C 7.246 1.065 1.866 1.00 . A A . 9 ARG C 1 1 14 3153 1 1 9 ARG CA C 6.919 2.366 1.127 1.00 . A A . 9 ARG CA 1 1 14 3154 1 1 9 ARG CB C 7.212 3.567 2.037 1.00 . A A . 9 ARG CB 1 1 14 3155 1 1 9 ARG CD C 8.168 5.037 0.237 1.00 . A A . 9 ARG CD 1 1 14 3156 1 1 9 ARG CG C 7.122 4.911 1.334 1.00 . A A . 9 ARG CG 1 1 14 3157 1 1 9 ARG CZ C 10.622 5.032 0.011 1.00 . A A . 9 ARG CZ 1 1 14 3158 1 1 9 ARG H H 4.863 1.861 1.086 1.00 . A A . 9 ARG H 1 1 14 3159 1 1 9 ARG HA H 7.552 2.432 0.268 1.00 . A A . 9 ARG HA 1 1 14 3160 1 1 9 ARG HB2 H 6.508 3.567 2.854 1.00 . A A . 9 ARG HB2 1 1 14 3161 1 1 9 ARG HB3 H 8.210 3.460 2.436 1.00 . A A . 9 ARG HB3 1 1 14 3162 1 1 9 ARG HD2 H 8.020 4.241 -0.477 1.00 . A A . 9 ARG HD2 1 1 14 3163 1 1 9 ARG HD3 H 8.042 5.990 -0.254 1.00 . A A . 9 ARG HD3 1 1 14 3164 1 1 9 ARG HE H 9.630 4.821 1.731 1.00 . A A . 9 ARG HE 1 1 14 3165 1 1 9 ARG HG2 H 6.141 5.016 0.899 1.00 . A A . 9 ARG HG2 1 1 14 3166 1 1 9 ARG HG3 H 7.281 5.695 2.060 1.00 . A A . 9 ARG HG3 1 1 14 3167 1 1 9 ARG HH11 H 9.621 5.271 -1.729 1.00 . A A . 9 ARG HH11 1 1 14 3168 1 1 9 ARG HH12 H 11.347 5.266 -1.862 1.00 . A A . 9 ARG HH12 1 1 14 3169 1 1 9 ARG HH21 H 11.902 4.815 1.560 1.00 . A A . 9 ARG HH21 1 1 14 3170 1 1 9 ARG HH22 H 12.642 5.007 0.006 1.00 . A A . 9 ARG HH22 1 1 14 3171 1 1 9 ARG N N 5.539 2.406 0.647 1.00 . A A . 9 ARG N 1 1 14 3172 1 1 9 ARG NE N 9.527 4.950 0.764 1.00 . A A . 9 ARG NE 1 1 14 3173 1 1 9 ARG NH1 N 10.521 5.204 -1.300 1.00 . A A . 9 ARG NH1 1 1 14 3174 1 1 9 ARG NH2 N 11.820 4.944 0.573 1.00 . A A . 9 ARG NH2 1 1 14 3175 1 1 9 ARG O O 8.289 0.457 1.619 1.00 . A A . 9 ARG O 1 1 14 3176 1 1 10 PRO C C 6.008 -1.830 2.931 1.00 . A A . 10 PRO C 1 1 14 3177 1 1 10 PRO CA C 6.604 -0.587 3.574 1.00 . A A . 10 PRO CA 1 1 14 3178 1 1 10 PRO CB C 5.913 -0.274 4.905 1.00 . A A . 10 PRO CB 1 1 14 3179 1 1 10 PRO CD C 5.131 1.267 3.187 1.00 . A A . 10 PRO CD 1 1 14 3180 1 1 10 PRO CG C 4.979 0.876 4.636 1.00 . A A . 10 PRO CG 1 1 14 3181 1 1 10 PRO HA H 7.654 -0.754 3.740 1.00 . A A . 10 PRO HA 1 1 14 3182 1 1 10 PRO HB2 H 5.370 -1.147 5.240 1.00 . A A . 10 PRO HB2 1 1 14 3183 1 1 10 PRO HB3 H 6.656 -0.008 5.641 1.00 . A A . 10 PRO HB3 1 1 14 3184 1 1 10 PRO HD2 H 4.306 0.882 2.609 1.00 . A A . 10 PRO HD2 1 1 14 3185 1 1 10 PRO HD3 H 5.200 2.338 3.077 1.00 . A A . 10 PRO HD3 1 1 14 3186 1 1 10 PRO HG2 H 3.964 0.567 4.825 1.00 . A A . 10 PRO HG2 1 1 14 3187 1 1 10 PRO HG3 H 5.238 1.709 5.275 1.00 . A A . 10 PRO HG3 1 1 14 3188 1 1 10 PRO N N 6.381 0.622 2.796 1.00 . A A . 10 PRO N 1 1 14 3189 1 1 10 PRO O O 6.716 -2.805 2.678 1.00 . A A . 10 PRO O 1 1 14 3190 1 1 11 SER C C 4.486 -3.073 0.568 1.00 . A A . 11 SER C 1 1 14 3191 1 1 11 SER CA C 4.047 -2.928 2.025 1.00 . A A . 11 SER CA 1 1 14 3192 1 1 11 SER CB C 2.528 -2.767 2.099 1.00 . A A . 11 SER CB 1 1 14 3193 1 1 11 SER H H 4.193 -0.993 2.868 1.00 . A A . 11 SER H 1 1 14 3194 1 1 11 SER HA H 4.332 -3.820 2.564 1.00 . A A . 11 SER HA 1 1 14 3195 1 1 11 SER HB2 H 2.237 -1.875 1.566 1.00 . A A . 11 SER HB2 1 1 14 3196 1 1 11 SER HB3 H 2.055 -3.626 1.645 1.00 . A A . 11 SER HB3 1 1 14 3197 1 1 11 SER HG H 2.631 -2.018 3.905 1.00 . A A . 11 SER HG 1 1 14 3198 1 1 11 SER N N 4.710 -1.795 2.653 1.00 . A A . 11 SER N 1 1 14 3199 1 1 11 SER O O 3.890 -3.834 -0.194 1.00 . A A . 11 SER O 1 1 14 3200 1 1 11 SER OG O 2.090 -2.661 3.442 1.00 . A A . 11 SER OG 1 1 14 3201 1 1 12 ILE C C 6.297 -3.838 -1.621 1.00 . A A . 12 ILE C 1 1 14 3202 1 1 12 ILE CA C 6.043 -2.396 -1.185 1.00 . A A . 12 ILE CA 1 1 14 3203 1 1 12 ILE CB C 7.350 -1.588 -1.330 1.00 . A A . 12 ILE CB 1 1 14 3204 1 1 12 ILE CD1 C 6.869 -1.037 -3.769 1.00 . A A . 12 ILE CD1 1 1 14 3205 1 1 12 ILE CG1 C 7.848 -1.624 -2.776 1.00 . A A . 12 ILE CG1 1 1 14 3206 1 1 12 ILE CG2 C 8.413 -2.127 -0.385 1.00 . A A . 12 ILE CG2 1 1 14 3207 1 1 12 ILE H H 5.975 -1.747 0.830 1.00 . A A . 12 ILE H 1 1 14 3208 1 1 12 ILE HA H 5.301 -1.959 -1.837 1.00 . A A . 12 ILE HA 1 1 14 3209 1 1 12 ILE HB H 7.145 -0.564 -1.053 1.00 . A A . 12 ILE HB 1 1 14 3210 1 1 12 ILE HD11 H 7.258 -1.149 -4.769 1.00 . A A . 12 ILE HD11 1 1 14 3211 1 1 12 ILE HD12 H 6.725 0.012 -3.555 1.00 . A A . 12 ILE HD12 1 1 14 3212 1 1 12 ILE HD13 H 5.923 -1.552 -3.689 1.00 . A A . 12 ILE HD13 1 1 14 3213 1 1 12 ILE HG12 H 8.768 -1.063 -2.848 1.00 . A A . 12 ILE HG12 1 1 14 3214 1 1 12 ILE HG13 H 8.034 -2.649 -3.061 1.00 . A A . 12 ILE HG13 1 1 14 3215 1 1 12 ILE HG21 H 9.050 -1.317 -0.059 1.00 . A A . 12 ILE HG21 1 1 14 3216 1 1 12 ILE HG22 H 9.010 -2.868 -0.899 1.00 . A A . 12 ILE HG22 1 1 14 3217 1 1 12 ILE HG23 H 7.939 -2.580 0.472 1.00 . A A . 12 ILE HG23 1 1 14 3218 1 1 12 ILE N N 5.534 -2.340 0.182 1.00 . A A . 12 ILE N 1 1 14 3219 1 1 12 ILE O O 5.909 -4.189 -2.754 1.00 . A A . 12 ILE O 1 1 14 3220 1 1 12 ILE OXT O 6.882 -4.602 -0.824 1.00 . A A . 12 ILE OXT 1 1 15 3221 1 1 1 HIS C C -9.752 -0.918 -2.583 1.00 . A A . 1 HIS C 1 1 15 3222 1 1 1 HIS CA C -10.435 -0.591 -3.910 1.00 . A A . 1 HIS CA 1 1 15 3223 1 1 1 HIS CB C -9.688 0.535 -4.632 1.00 . A A . 1 HIS CB 1 1 15 3224 1 1 1 HIS CD2 C -10.198 3.046 -4.226 1.00 . A A . 1 HIS CD2 1 1 15 3225 1 1 1 HIS CE1 C -9.300 3.241 -2.235 1.00 . A A . 1 HIS CE1 1 1 15 3226 1 1 1 HIS CG C -9.695 1.834 -3.888 1.00 . A A . 1 HIS CG 1 1 15 3227 1 1 1 HIS H1 H -12.396 -1.008 -3.449 1.00 . A A . 1 HIS H1 1 1 15 3228 1 1 1 HIS H2 H -12.181 0.256 -4.590 1.00 . A A . 1 HIS H2 1 1 15 3229 1 1 1 HIS H3 H -11.851 0.532 -2.929 1.00 . A A . 1 HIS H3 1 1 15 3230 1 1 1 HIS HA H -10.435 -1.473 -4.534 1.00 . A A . 1 HIS HA 1 1 15 3231 1 1 1 HIS HB2 H -8.661 0.240 -4.774 1.00 . A A . 1 HIS HB2 1 1 15 3232 1 1 1 HIS HB3 H -10.147 0.700 -5.595 1.00 . A A . 1 HIS HB3 1 1 15 3233 1 1 1 HIS HD1 H -8.691 1.291 -2.116 1.00 . A A . 1 HIS HD1 1 1 15 3234 1 1 1 HIS HD2 H -10.709 3.293 -5.147 1.00 . A A . 1 HIS HD2 1 1 15 3235 1 1 1 HIS HE1 H -8.966 3.652 -1.295 1.00 . A A . 1 HIS HE1 1 1 15 3236 1 1 1 HIS HE2 H -10.272 4.819 -3.105 1.00 . A A . 1 HIS HE2 1 1 15 3237 1 1 1 HIS N N -11.843 -0.164 -3.701 1.00 . A A . 1 HIS N 1 1 15 3238 1 1 1 HIS ND1 N -9.138 1.991 -2.635 1.00 . A A . 1 HIS ND1 1 1 15 3239 1 1 1 HIS NE2 N -9.940 3.900 -3.184 1.00 . A A . 1 HIS NE2 1 1 15 3240 1 1 1 HIS O O -9.939 -0.214 -1.591 1.00 . A A . 1 HIS O 1 1 15 3241 1 1 2 PRO C C -7.224 -1.399 -0.871 1.00 . A A . 2 PRO C 1 1 15 3242 1 1 2 PRO CA C -8.245 -2.425 -1.334 1.00 . A A . 2 PRO CA 1 1 15 3243 1 1 2 PRO CB C -7.533 -3.712 -1.778 1.00 . A A . 2 PRO CB 1 1 15 3244 1 1 2 PRO CD C -8.674 -2.906 -3.666 1.00 . A A . 2 PRO CD 1 1 15 3245 1 1 2 PRO CG C -7.394 -3.552 -3.246 1.00 . A A . 2 PRO CG 1 1 15 3246 1 1 2 PRO HA H -8.928 -2.646 -0.528 1.00 . A A . 2 PRO HA 1 1 15 3247 1 1 2 PRO HB2 H -6.572 -3.789 -1.297 1.00 . A A . 2 PRO HB2 1 1 15 3248 1 1 2 PRO HB3 H -8.142 -4.569 -1.530 1.00 . A A . 2 PRO HB3 1 1 15 3249 1 1 2 PRO HD2 H -8.551 -2.365 -4.592 1.00 . A A . 2 PRO HD2 1 1 15 3250 1 1 2 PRO HD3 H -9.444 -3.648 -3.749 1.00 . A A . 2 PRO HD3 1 1 15 3251 1 1 2 PRO HG2 H -6.552 -2.912 -3.473 1.00 . A A . 2 PRO HG2 1 1 15 3252 1 1 2 PRO HG3 H -7.283 -4.516 -3.718 1.00 . A A . 2 PRO HG3 1 1 15 3253 1 1 2 PRO N N -8.954 -2.000 -2.543 1.00 . A A . 2 PRO N 1 1 15 3254 1 1 2 PRO O O -7.274 -0.229 -1.251 1.00 . A A . 2 PRO O 1 1 15 3255 1 1 3 LEU C C -4.000 -1.036 -0.436 1.00 . A A . 3 LEU C 1 1 15 3256 1 1 3 LEU CA C -5.230 -1.017 0.467 1.00 . A A . 3 LEU CA 1 1 15 3257 1 1 3 LEU CB C -4.855 -1.437 1.894 1.00 . A A . 3 LEU CB 1 1 15 3258 1 1 3 LEU CD1 C -3.425 -3.400 1.242 1.00 . A A . 3 LEU CD1 1 1 15 3259 1 1 3 LEU CD2 C -4.318 -3.227 3.567 1.00 . A A . 3 LEU CD2 1 1 15 3260 1 1 3 LEU CG C -4.589 -2.933 2.098 1.00 . A A . 3 LEU CG 1 1 15 3261 1 1 3 LEU H H -6.318 -2.808 0.185 1.00 . A A . 3 LEU H 1 1 15 3262 1 1 3 LEU HA H -5.613 -0.008 0.498 1.00 . A A . 3 LEU HA 1 1 15 3263 1 1 3 LEU HB2 H -3.961 -0.895 2.176 1.00 . A A . 3 LEU HB2 1 1 15 3264 1 1 3 LEU HB3 H -5.657 -1.144 2.555 1.00 . A A . 3 LEU HB3 1 1 15 3265 1 1 3 LEU HD11 H -3.124 -4.390 1.553 1.00 . A A . 3 LEU HD11 1 1 15 3266 1 1 3 LEU HD12 H -2.595 -2.719 1.357 1.00 . A A . 3 LEU HD12 1 1 15 3267 1 1 3 LEU HD13 H -3.730 -3.426 0.206 1.00 . A A . 3 LEU HD13 1 1 15 3268 1 1 3 LEU HD21 H -3.730 -4.129 3.650 1.00 . A A . 3 LEU HD21 1 1 15 3269 1 1 3 LEU HD22 H -5.256 -3.361 4.085 1.00 . A A . 3 LEU HD22 1 1 15 3270 1 1 3 LEU HD23 H -3.779 -2.402 4.006 1.00 . A A . 3 LEU HD23 1 1 15 3271 1 1 3 LEU HG H -5.464 -3.490 1.802 1.00 . A A . 3 LEU HG 1 1 15 3272 1 1 3 LEU N N -6.294 -1.863 -0.057 1.00 . A A . 3 LEU N 1 1 15 3273 1 1 3 LEU O O -2.867 -0.960 0.039 1.00 . A A . 3 LEU O 1 1 15 3274 1 1 4 LYS C C -2.420 0.179 -2.772 1.00 . A A . 4 LYS C 1 1 15 3275 1 1 4 LYS CA C -3.148 -1.160 -2.714 1.00 . A A . 4 LYS CA 1 1 15 3276 1 1 4 LYS CB C -3.710 -1.498 -4.095 1.00 . A A . 4 LYS CB 1 1 15 3277 1 1 4 LYS CD C -1.699 -2.578 -5.234 1.00 . A A . 4 LYS CD 1 1 15 3278 1 1 4 LYS CE C -0.763 -2.547 -4.037 1.00 . A A . 4 LYS CE 1 1 15 3279 1 1 4 LYS CG C -2.700 -1.425 -5.236 1.00 . A A . 4 LYS CG 1 1 15 3280 1 1 4 LYS H H -5.157 -1.187 -2.056 1.00 . A A . 4 LYS H 1 1 15 3281 1 1 4 LYS HA H -2.458 -1.923 -2.414 1.00 . A A . 4 LYS HA 1 1 15 3282 1 1 4 LYS HB2 H -4.113 -2.499 -4.068 1.00 . A A . 4 LYS HB2 1 1 15 3283 1 1 4 LYS HB3 H -4.511 -0.807 -4.310 1.00 . A A . 4 LYS HB3 1 1 15 3284 1 1 4 LYS HD2 H -2.244 -3.510 -5.218 1.00 . A A . 4 LYS HD2 1 1 15 3285 1 1 4 LYS HD3 H -1.111 -2.525 -6.138 1.00 . A A . 4 LYS HD3 1 1 15 3286 1 1 4 LYS HE2 H -0.288 -1.579 -3.987 1.00 . A A . 4 LYS HE2 1 1 15 3287 1 1 4 LYS HE3 H -1.337 -2.714 -3.141 1.00 . A A . 4 LYS HE3 1 1 15 3288 1 1 4 LYS HG2 H -3.238 -1.440 -6.172 1.00 . A A . 4 LYS HG2 1 1 15 3289 1 1 4 LYS HG3 H -2.158 -0.493 -5.153 1.00 . A A . 4 LYS HG3 1 1 15 3290 1 1 4 LYS HZ1 H -0.144 -4.543 -4.061 1.00 . A A . 4 LYS HZ1 1 1 15 3291 1 1 4 LYS HZ2 H 0.979 -3.485 -3.363 1.00 . A A . 4 LYS HZ2 1 1 15 3292 1 1 4 LYS HZ3 H 0.784 -3.525 -5.044 1.00 . A A . 4 LYS HZ3 1 1 15 3293 1 1 4 LYS N N -4.232 -1.134 -1.739 1.00 . A A . 4 LYS N 1 1 15 3294 1 1 4 LYS NZ N 0.287 -3.598 -4.133 1.00 . A A . 4 LYS NZ 1 1 15 3295 1 1 4 LYS O O -1.292 0.262 -3.260 1.00 . A A . 4 LYS O 1 1 15 3296 1 1 5 GLN C C -1.682 2.857 -1.036 1.00 . A A . 5 GLN C 1 1 15 3297 1 1 5 GLN CA C -2.480 2.560 -2.303 1.00 . A A . 5 GLN CA 1 1 15 3298 1 1 5 GLN CB C -3.567 3.614 -2.489 1.00 . A A . 5 GLN CB 1 1 15 3299 1 1 5 GLN CD C -5.725 4.627 -1.588 1.00 . A A . 5 GLN CD 1 1 15 3300 1 1 5 GLN CG C -4.648 3.563 -1.422 1.00 . A A . 5 GLN CG 1 1 15 3301 1 1 5 GLN H H -3.971 1.100 -1.919 1.00 . A A . 5 GLN H 1 1 15 3302 1 1 5 GLN HA H -1.810 2.605 -3.140 1.00 . A A . 5 GLN HA 1 1 15 3303 1 1 5 GLN HB2 H -3.111 4.592 -2.464 1.00 . A A . 5 GLN HB2 1 1 15 3304 1 1 5 GLN HB3 H -4.034 3.466 -3.451 1.00 . A A . 5 GLN HB3 1 1 15 3305 1 1 5 GLN HE21 H -4.846 5.343 -3.235 1.00 . A A . 5 GLN HE21 1 1 15 3306 1 1 5 GLN HE22 H -6.308 6.147 -2.741 1.00 . A A . 5 GLN HE22 1 1 15 3307 1 1 5 GLN HG2 H -5.120 2.593 -1.460 1.00 . A A . 5 GLN HG2 1 1 15 3308 1 1 5 GLN HG3 H -4.182 3.694 -0.455 1.00 . A A . 5 GLN HG3 1 1 15 3309 1 1 5 GLN N N -3.071 1.226 -2.287 1.00 . A A . 5 GLN N 1 1 15 3310 1 1 5 GLN NE2 N -5.614 5.455 -2.626 1.00 . A A . 5 GLN NE2 1 1 15 3311 1 1 5 GLN O O -1.077 3.921 -0.912 1.00 . A A . 5 GLN O 1 1 15 3312 1 1 5 GLN OE1 O -6.655 4.704 -0.786 1.00 . A A . 5 GLN OE1 1 1 15 3313 1 1 6 TYR C C 0.454 1.572 1.094 1.00 . A A . 6 TYR C 1 1 15 3314 1 1 6 TYR CA C -0.974 2.103 1.163 1.00 . A A . 6 TYR CA 1 1 15 3315 1 1 6 TYR CB C -1.751 1.427 2.283 1.00 . A A . 6 TYR CB 1 1 15 3316 1 1 6 TYR CD1 C -3.139 3.171 3.470 1.00 . A A . 6 TYR CD1 1 1 15 3317 1 1 6 TYR CD2 C -4.218 1.730 1.913 1.00 . A A . 6 TYR CD2 1 1 15 3318 1 1 6 TYR CE1 C -4.338 3.814 3.713 1.00 . A A . 6 TYR CE1 1 1 15 3319 1 1 6 TYR CE2 C -5.421 2.366 2.149 1.00 . A A . 6 TYR CE2 1 1 15 3320 1 1 6 TYR CG C -3.063 2.116 2.569 1.00 . A A . 6 TYR CG 1 1 15 3321 1 1 6 TYR CZ C -5.477 3.406 3.053 1.00 . A A . 6 TYR CZ 1 1 15 3322 1 1 6 TYR H H -2.198 1.097 -0.245 1.00 . A A . 6 TYR H 1 1 15 3323 1 1 6 TYR HA H -0.933 3.161 1.366 1.00 . A A . 6 TYR HA 1 1 15 3324 1 1 6 TYR HB2 H -1.964 0.405 2.005 1.00 . A A . 6 TYR HB2 1 1 15 3325 1 1 6 TYR HB3 H -1.161 1.439 3.186 1.00 . A A . 6 TYR HB3 1 1 15 3326 1 1 6 TYR HD1 H -2.245 3.483 3.989 1.00 . A A . 6 TYR HD1 1 1 15 3327 1 1 6 TYR HD2 H -4.163 0.924 1.199 1.00 . A A . 6 TYR HD2 1 1 15 3328 1 1 6 TYR HE1 H -4.378 4.633 4.416 1.00 . A A . 6 TYR HE1 1 1 15 3329 1 1 6 TYR HE2 H -6.313 2.043 1.631 1.00 . A A . 6 TYR HE2 1 1 15 3330 1 1 6 TYR HH H -6.533 4.992 3.305 1.00 . A A . 6 TYR HH 1 1 15 3331 1 1 6 TYR N N -1.692 1.924 -0.096 1.00 . A A . 6 TYR N 1 1 15 3332 1 1 6 TYR O O 1.286 1.907 1.935 1.00 . A A . 6 TYR O 1 1 15 3333 1 1 6 TYR OH O -6.673 4.043 3.293 1.00 . A A . 6 TYR OH 1 1 15 3334 1 1 7 TRP C C 3.037 1.235 -0.568 1.00 . A A . 7 TRP C 1 1 15 3335 1 1 7 TRP CA C 2.062 0.182 -0.080 1.00 . A A . 7 TRP CA 1 1 15 3336 1 1 7 TRP CB C 2.019 -0.980 -1.065 1.00 . A A . 7 TRP CB 1 1 15 3337 1 1 7 TRP CD1 C -0.397 -1.827 -0.999 1.00 . A A . 7 TRP CD1 1 1 15 3338 1 1 7 TRP CD2 C 1.105 -3.236 -0.163 1.00 . A A . 7 TRP CD2 1 1 15 3339 1 1 7 TRP CE2 C -0.157 -3.842 -0.075 1.00 . A A . 7 TRP CE2 1 1 15 3340 1 1 7 TRP CE3 C 2.215 -3.911 0.303 1.00 . A A . 7 TRP CE3 1 1 15 3341 1 1 7 TRP CG C 0.937 -1.969 -0.775 1.00 . A A . 7 TRP CG 1 1 15 3342 1 1 7 TRP CH2 C 0.782 -5.762 0.928 1.00 . A A . 7 TRP CH2 1 1 15 3343 1 1 7 TRP CZ2 C -0.334 -5.112 0.470 1.00 . A A . 7 TRP CZ2 1 1 15 3344 1 1 7 TRP CZ3 C 2.052 -5.171 0.849 1.00 . A A . 7 TRP CZ3 1 1 15 3345 1 1 7 TRP H H 0.051 0.510 -0.540 1.00 . A A . 7 TRP H 1 1 15 3346 1 1 7 TRP HA H 2.394 -0.170 0.880 1.00 . A A . 7 TRP HA 1 1 15 3347 1 1 7 TRP HB2 H 1.858 -0.593 -2.060 1.00 . A A . 7 TRP HB2 1 1 15 3348 1 1 7 TRP HB3 H 2.965 -1.502 -1.035 1.00 . A A . 7 TRP HB3 1 1 15 3349 1 1 7 TRP HD1 H -0.844 -0.958 -1.447 1.00 . A A . 7 TRP HD1 1 1 15 3350 1 1 7 TRP HE1 H -2.028 -3.111 -0.682 1.00 . A A . 7 TRP HE1 1 1 15 3351 1 1 7 TRP HE3 H 3.186 -3.454 0.248 1.00 . A A . 7 TRP HE3 1 1 15 3352 1 1 7 TRP HH2 H 0.696 -6.746 1.362 1.00 . A A . 7 TRP HH2 1 1 15 3353 1 1 7 TRP HZ2 H -1.306 -5.578 0.535 1.00 . A A . 7 TRP HZ2 1 1 15 3354 1 1 7 TRP HZ3 H 2.908 -5.713 1.221 1.00 . A A . 7 TRP HZ3 1 1 15 3355 1 1 7 TRP N N 0.739 0.747 0.091 1.00 . A A . 7 TRP N 1 1 15 3356 1 1 7 TRP NE1 N -1.064 -2.962 -0.604 1.00 . A A . 7 TRP NE1 1 1 15 3357 1 1 7 TRP O O 3.698 1.073 -1.595 1.00 . A A . 7 TRP O 1 1 15 3358 1 1 8 TRP C C 5.454 3.057 0.165 1.00 . A A . 8 TRP C 1 1 15 3359 1 1 8 TRP CA C 4.003 3.412 -0.141 1.00 . A A . 8 TRP CA 1 1 15 3360 1 1 8 TRP CB C 3.588 4.647 0.652 1.00 . A A . 8 TRP CB 1 1 15 3361 1 1 8 TRP CD1 C 4.456 6.454 -0.948 1.00 . A A . 8 TRP CD1 1 1 15 3362 1 1 8 TRP CD2 C 5.120 6.710 1.175 1.00 . A A . 8 TRP CD2 1 1 15 3363 1 1 8 TRP CE2 C 5.662 7.757 0.405 1.00 . A A . 8 TRP CE2 1 1 15 3364 1 1 8 TRP CE3 C 5.401 6.665 2.544 1.00 . A A . 8 TRP CE3 1 1 15 3365 1 1 8 TRP CG C 4.356 5.883 0.289 1.00 . A A . 8 TRP CG 1 1 15 3366 1 1 8 TRP CH2 C 6.725 8.680 2.302 1.00 . A A . 8 TRP CH2 1 1 15 3367 1 1 8 TRP CZ2 C 6.468 8.749 0.960 1.00 . A A . 8 TRP CZ2 1 1 15 3368 1 1 8 TRP CZ3 C 6.199 7.650 3.093 1.00 . A A . 8 TRP CZ3 1 1 15 3369 1 1 8 TRP H H 2.557 2.368 0.984 1.00 . A A . 8 TRP H 1 1 15 3370 1 1 8 TRP HA H 3.907 3.622 -1.195 1.00 . A A . 8 TRP HA 1 1 15 3371 1 1 8 TRP HB2 H 2.544 4.832 0.476 1.00 . A A . 8 TRP HB2 1 1 15 3372 1 1 8 TRP HB3 H 3.741 4.457 1.704 1.00 . A A . 8 TRP HB3 1 1 15 3373 1 1 8 TRP HD1 H 3.986 6.063 -1.838 1.00 . A A . 8 TRP HD1 1 1 15 3374 1 1 8 TRP HE1 H 5.468 8.158 -1.645 1.00 . A A . 8 TRP HE1 1 1 15 3375 1 1 8 TRP HE3 H 5.004 5.879 3.170 1.00 . A A . 8 TRP HE3 1 1 15 3376 1 1 8 TRP HH2 H 7.345 9.427 2.773 1.00 . A A . 8 TRP HH2 1 1 15 3377 1 1 8 TRP HZ2 H 6.879 9.550 0.364 1.00 . A A . 8 TRP HZ2 1 1 15 3378 1 1 8 TRP HZ3 H 6.428 7.631 4.148 1.00 . A A . 8 TRP HZ3 1 1 15 3379 1 1 8 TRP N N 3.117 2.313 0.183 1.00 . A A . 8 TRP N 1 1 15 3380 1 1 8 TRP NE1 N 5.243 7.578 -0.886 1.00 . A A . 8 TRP NE1 1 1 15 3381 1 1 8 TRP O O 6.361 3.442 -0.571 1.00 . A A . 8 TRP O 1 1 15 3382 1 1 9 ARG C C 7.193 0.517 2.167 1.00 . A A . 9 ARG C 1 1 15 3383 1 1 9 ARG CA C 7.032 1.965 1.657 1.00 . A A . 9 ARG CA 1 1 15 3384 1 1 9 ARG CB C 7.537 2.935 2.726 1.00 . A A . 9 ARG CB 1 1 15 3385 1 1 9 ARG CD C 8.654 4.508 1.114 1.00 . A A . 9 ARG CD 1 1 15 3386 1 1 9 ARG CG C 7.643 4.372 2.242 1.00 . A A . 9 ARG CG 1 1 15 3387 1 1 9 ARG CZ C 11.063 4.145 0.737 1.00 . A A . 9 ARG CZ 1 1 15 3388 1 1 9 ARG H H 4.913 2.076 1.827 1.00 . A A . 9 ARG H 1 1 15 3389 1 1 9 ARG HA H 7.655 2.081 0.785 1.00 . A A . 9 ARG HA 1 1 15 3390 1 1 9 ARG HB2 H 6.859 2.910 3.567 1.00 . A A . 9 ARG HB2 1 1 15 3391 1 1 9 ARG HB3 H 8.515 2.615 3.054 1.00 . A A . 9 ARG HB3 1 1 15 3392 1 1 9 ARG HD2 H 8.344 3.883 0.291 1.00 . A A . 9 ARG HD2 1 1 15 3393 1 1 9 ARG HD3 H 8.679 5.539 0.794 1.00 . A A . 9 ARG HD3 1 1 15 3394 1 1 9 ARG HE H 10.107 3.792 2.455 1.00 . A A . 9 ARG HE 1 1 15 3395 1 1 9 ARG HG2 H 6.677 4.690 1.882 1.00 . A A . 9 ARG HG2 1 1 15 3396 1 1 9 ARG HG3 H 7.948 4.999 3.067 1.00 . A A . 9 ARG HG3 1 1 15 3397 1 1 9 ARG HH11 H 10.060 4.857 -0.869 1.00 . A A . 9 ARG HH11 1 1 15 3398 1 1 9 ARG HH12 H 11.755 4.592 -1.108 1.00 . A A . 9 ARG HH12 1 1 15 3399 1 1 9 ARG HH21 H 12.336 3.445 2.142 1.00 . A A . 9 ARG HH21 1 1 15 3400 1 1 9 ARG HH22 H 13.047 3.792 0.602 1.00 . A A . 9 ARG HH22 1 1 15 3401 1 1 9 ARG N N 5.672 2.339 1.266 1.00 . A A . 9 ARG N 1 1 15 3402 1 1 9 ARG NE N 9.996 4.107 1.533 1.00 . A A . 9 ARG NE 1 1 15 3403 1 1 9 ARG NH1 N 10.950 4.565 -0.517 1.00 . A A . 9 ARG NH1 1 1 15 3404 1 1 9 ARG NH2 N 12.246 3.762 1.198 1.00 . A A . 9 ARG NH2 1 1 15 3405 1 1 9 ARG O O 8.264 0.179 2.669 1.00 . A A . 9 ARG O 1 1 15 3406 1 1 10 PRO C C 7.259 -2.583 1.652 1.00 . A A . 10 PRO C 1 1 15 3407 1 1 10 PRO CA C 6.331 -1.760 2.539 1.00 . A A . 10 PRO CA 1 1 15 3408 1 1 10 PRO CB C 4.912 -2.314 2.463 1.00 . A A . 10 PRO CB 1 1 15 3409 1 1 10 PRO CD C 4.837 -0.152 1.487 1.00 . A A . 10 PRO CD 1 1 15 3410 1 1 10 PRO CG C 4.296 -1.550 1.351 1.00 . A A . 10 PRO CG 1 1 15 3411 1 1 10 PRO HA H 6.687 -1.794 3.557 1.00 . A A . 10 PRO HA 1 1 15 3412 1 1 10 PRO HB2 H 4.946 -3.374 2.251 1.00 . A A . 10 PRO HB2 1 1 15 3413 1 1 10 PRO HB3 H 4.401 -2.140 3.396 1.00 . A A . 10 PRO HB3 1 1 15 3414 1 1 10 PRO HD2 H 4.899 0.332 0.522 1.00 . A A . 10 PRO HD2 1 1 15 3415 1 1 10 PRO HD3 H 4.219 0.419 2.163 1.00 . A A . 10 PRO HD3 1 1 15 3416 1 1 10 PRO HG2 H 4.587 -1.978 0.402 1.00 . A A . 10 PRO HG2 1 1 15 3417 1 1 10 PRO HG3 H 3.224 -1.552 1.457 1.00 . A A . 10 PRO HG3 1 1 15 3418 1 1 10 PRO N N 6.181 -0.376 2.062 1.00 . A A . 10 PRO N 1 1 15 3419 1 1 10 PRO O O 7.808 -3.596 2.085 1.00 . A A . 10 PRO O 1 1 15 3420 1 1 11 SER C C 9.767 -2.663 -0.182 1.00 . A A . 11 SER C 1 1 15 3421 1 1 11 SER CA C 8.289 -2.835 -0.536 1.00 . A A . 11 SER CA 1 1 15 3422 1 1 11 SER CB C 8.033 -2.324 -1.956 1.00 . A A . 11 SER CB 1 1 15 3423 1 1 11 SER H H 6.963 -1.327 0.126 1.00 . A A . 11 SER H 1 1 15 3424 1 1 11 SER HA H 8.043 -3.886 -0.496 1.00 . A A . 11 SER HA 1 1 15 3425 1 1 11 SER HB2 H 8.243 -1.265 -1.997 1.00 . A A . 11 SER HB2 1 1 15 3426 1 1 11 SER HB3 H 8.679 -2.845 -2.646 1.00 . A A . 11 SER HB3 1 1 15 3427 1 1 11 SER HG H 6.404 -3.409 -2.055 1.00 . A A . 11 SER HG 1 1 15 3428 1 1 11 SER N N 7.429 -2.140 0.412 1.00 . A A . 11 SER N 1 1 15 3429 1 1 11 SER O O 10.637 -3.228 -0.844 1.00 . A A . 11 SER O 1 1 15 3430 1 1 11 SER OG O 6.685 -2.536 -2.339 1.00 . A A . 11 SER OG 1 1 15 3431 1 1 12 ILE C C 11.636 -2.128 2.720 1.00 . A A . 12 ILE C 1 1 15 3432 1 1 12 ILE CA C 11.422 -1.650 1.287 1.00 . A A . 12 ILE CA 1 1 15 3433 1 1 12 ILE CB C 11.804 -0.155 1.187 1.00 . A A . 12 ILE CB 1 1 15 3434 1 1 12 ILE CD1 C 10.254 0.311 -0.788 1.00 . A A . 12 ILE CD1 1 1 15 3435 1 1 12 ILE CG1 C 11.670 0.347 -0.256 1.00 . A A . 12 ILE CG1 1 1 15 3436 1 1 12 ILE CG2 C 13.223 0.070 1.691 1.00 . A A . 12 ILE CG2 1 1 15 3437 1 1 12 ILE H H 9.317 -1.456 1.356 1.00 . A A . 12 ILE H 1 1 15 3438 1 1 12 ILE HA H 12.074 -2.211 0.631 1.00 . A A . 12 ILE HA 1 1 15 3439 1 1 12 ILE HB H 11.132 0.406 1.818 1.00 . A A . 12 ILE HB 1 1 15 3440 1 1 12 ILE HD11 H 10.057 1.215 -1.346 1.00 . A A . 12 ILE HD11 1 1 15 3441 1 1 12 ILE HD12 H 9.560 0.241 0.036 1.00 . A A . 12 ILE HD12 1 1 15 3442 1 1 12 ILE HD13 H 10.132 -0.545 -1.435 1.00 . A A . 12 ILE HD13 1 1 15 3443 1 1 12 ILE HG12 H 12.016 1.368 -0.307 1.00 . A A . 12 ILE HG12 1 1 15 3444 1 1 12 ILE HG13 H 12.282 -0.268 -0.900 1.00 . A A . 12 ILE HG13 1 1 15 3445 1 1 12 ILE HG21 H 13.299 -0.266 2.715 1.00 . A A . 12 ILE HG21 1 1 15 3446 1 1 12 ILE HG22 H 13.460 1.123 1.640 1.00 . A A . 12 ILE HG22 1 1 15 3447 1 1 12 ILE HG23 H 13.917 -0.485 1.078 1.00 . A A . 12 ILE HG23 1 1 15 3448 1 1 12 ILE N N 10.048 -1.885 0.861 1.00 . A A . 12 ILE N 1 1 15 3449 1 1 12 ILE O O 11.421 -1.323 3.650 1.00 . A A . 12 ILE O 1 1 15 3450 1 1 12 ILE OXT O 12.014 -3.304 2.900 1.00 . A A . 12 ILE OXT 1 1 16 3451 1 1 1 HIS C C -9.869 0.015 -2.161 1.00 . A A . 1 HIS C 1 1 16 3452 1 1 1 HIS CA C -10.785 0.785 -3.110 1.00 . A A . 1 HIS CA 1 1 16 3453 1 1 1 HIS CB C -10.183 2.158 -3.417 1.00 . A A . 1 HIS CB 1 1 16 3454 1 1 1 HIS CD2 C -8.934 3.590 -1.648 1.00 . A A . 1 HIS CD2 1 1 16 3455 1 1 1 HIS CE1 C -10.661 4.169 -0.427 1.00 . A A . 1 HIS CE1 1 1 16 3456 1 1 1 HIS CG C -10.033 3.027 -2.206 1.00 . A A . 1 HIS CG 1 1 16 3457 1 1 1 HIS H1 H -12.578 1.788 -2.993 1.00 . A A . 1 HIS H1 1 1 16 3458 1 1 1 HIS H2 H -12.004 1.173 -1.499 1.00 . A A . 1 HIS H2 1 1 16 3459 1 1 1 HIS H3 H -12.677 0.110 -2.666 1.00 . A A . 1 HIS H3 1 1 16 3460 1 1 1 HIS HA H -10.894 0.231 -4.030 1.00 . A A . 1 HIS HA 1 1 16 3461 1 1 1 HIS HB2 H -9.203 2.025 -3.852 1.00 . A A . 1 HIS HB2 1 1 16 3462 1 1 1 HIS HB3 H -10.818 2.673 -4.123 1.00 . A A . 1 HIS HB3 1 1 16 3463 1 1 1 HIS HD1 H -12.036 3.161 -1.561 1.00 . A A . 1 HIS HD1 1 1 16 3464 1 1 1 HIS HD2 H -7.918 3.502 -2.006 1.00 . A A . 1 HIS HD2 1 1 16 3465 1 1 1 HIS HE1 H -11.271 4.610 0.345 1.00 . A A . 1 HIS HE1 1 1 16 3466 1 1 1 HIS HE2 H -8.764 4.707 0.121 1.00 . A A . 1 HIS HE2 1 1 16 3467 1 1 1 HIS N N -12.133 0.982 -2.514 1.00 . A A . 1 HIS N 1 1 16 3468 1 1 1 HIS ND1 N -11.098 3.409 -1.417 1.00 . A A . 1 HIS ND1 1 1 16 3469 1 1 1 HIS NE2 N -9.353 4.292 -0.544 1.00 . A A . 1 HIS NE2 1 1 16 3470 1 1 1 HIS O O -9.708 0.400 -1.003 1.00 . A A . 1 HIS O 1 1 16 3471 1 1 2 PRO C C -7.288 -1.087 -1.133 1.00 . A A . 2 PRO C 1 1 16 3472 1 1 2 PRO CA C -8.362 -1.907 -1.816 1.00 . A A . 2 PRO CA 1 1 16 3473 1 1 2 PRO CB C -7.719 -2.872 -2.828 1.00 . A A . 2 PRO CB 1 1 16 3474 1 1 2 PRO CD C -9.373 -1.649 -3.975 1.00 . A A . 2 PRO CD 1 1 16 3475 1 1 2 PRO CG C -8.035 -2.284 -4.158 1.00 . A A . 2 PRO CG 1 1 16 3476 1 1 2 PRO HA H -8.907 -2.472 -1.074 1.00 . A A . 2 PRO HA 1 1 16 3477 1 1 2 PRO HB2 H -6.653 -2.919 -2.658 1.00 . A A . 2 PRO HB2 1 1 16 3478 1 1 2 PRO HB3 H -8.151 -3.855 -2.717 1.00 . A A . 2 PRO HB3 1 1 16 3479 1 1 2 PRO HD2 H -9.544 -0.882 -4.715 1.00 . A A . 2 PRO HD2 1 1 16 3480 1 1 2 PRO HD3 H -10.140 -2.398 -4.001 1.00 . A A . 2 PRO HD3 1 1 16 3481 1 1 2 PRO HG2 H -7.293 -1.544 -4.422 1.00 . A A . 2 PRO HG2 1 1 16 3482 1 1 2 PRO HG3 H -8.084 -3.061 -4.905 1.00 . A A . 2 PRO HG3 1 1 16 3483 1 1 2 PRO N N -9.256 -1.089 -2.629 1.00 . A A . 2 PRO N 1 1 16 3484 1 1 2 PRO O O -7.253 0.139 -1.229 1.00 . A A . 2 PRO O 1 1 16 3485 1 1 3 LEU C C -4.057 -1.052 -0.615 1.00 . A A . 3 LEU C 1 1 16 3486 1 1 3 LEU CA C -5.304 -1.161 0.261 1.00 . A A . 3 LEU CA 1 1 16 3487 1 1 3 LEU CB C -4.986 -1.928 1.549 1.00 . A A . 3 LEU CB 1 1 16 3488 1 1 3 LEU CD1 C -3.397 -3.612 0.555 1.00 . A A . 3 LEU CD1 1 1 16 3489 1 1 3 LEU CD2 C -4.528 -4.092 2.729 1.00 . A A . 3 LEU CD2 1 1 16 3490 1 1 3 LEU CG C -4.663 -3.417 1.375 1.00 . A A . 3 LEU CG 1 1 16 3491 1 1 3 LEU H H -6.507 -2.767 -0.437 1.00 . A A . 3 LEU H 1 1 16 3492 1 1 3 LEU HA H -5.623 -0.167 0.522 1.00 . A A . 3 LEU HA 1 1 16 3493 1 1 3 LEU HB2 H -4.138 -1.453 2.022 1.00 . A A . 3 LEU HB2 1 1 16 3494 1 1 3 LEU HB3 H -5.835 -1.844 2.210 1.00 . A A . 3 LEU HB3 1 1 16 3495 1 1 3 LEU HD11 H -2.653 -2.891 0.865 1.00 . A A . 3 LEU HD11 1 1 16 3496 1 1 3 LEU HD12 H -3.619 -3.470 -0.493 1.00 . A A . 3 LEU HD12 1 1 16 3497 1 1 3 LEU HD13 H -3.016 -4.609 0.710 1.00 . A A . 3 LEU HD13 1 1 16 3498 1 1 3 LEU HD21 H -3.799 -4.886 2.667 1.00 . A A . 3 LEU HD21 1 1 16 3499 1 1 3 LEU HD22 H -5.483 -4.502 3.024 1.00 . A A . 3 LEU HD22 1 1 16 3500 1 1 3 LEU HD23 H -4.207 -3.367 3.463 1.00 . A A . 3 LEU HD23 1 1 16 3501 1 1 3 LEU HG H -5.476 -3.890 0.845 1.00 . A A . 3 LEU HG 1 1 16 3502 1 1 3 LEU N N -6.409 -1.792 -0.451 1.00 . A A . 3 LEU N 1 1 16 3503 1 1 3 LEU O O -2.945 -0.914 -0.107 1.00 . A A . 3 LEU O 1 1 16 3504 1 1 4 LYS C C -2.306 0.218 -2.656 1.00 . A A . 4 LYS C 1 1 16 3505 1 1 4 LYS CA C -3.122 -1.047 -2.863 1.00 . A A . 4 LYS CA 1 1 16 3506 1 1 4 LYS CB C -3.626 -1.083 -4.297 1.00 . A A . 4 LYS CB 1 1 16 3507 1 1 4 LYS CD C -4.856 -2.333 -6.087 1.00 . A A . 4 LYS CD 1 1 16 3508 1 1 4 LYS CE C -5.595 -3.611 -6.437 1.00 . A A . 4 LYS CE 1 1 16 3509 1 1 4 LYS CG C -4.425 -2.325 -4.630 1.00 . A A . 4 LYS CG 1 1 16 3510 1 1 4 LYS H H -5.147 -1.244 -2.282 1.00 . A A . 4 LYS H 1 1 16 3511 1 1 4 LYS HA H -2.491 -1.900 -2.692 1.00 . A A . 4 LYS HA 1 1 16 3512 1 1 4 LYS HB2 H -4.251 -0.219 -4.470 1.00 . A A . 4 LYS HB2 1 1 16 3513 1 1 4 LYS HB3 H -2.774 -1.038 -4.956 1.00 . A A . 4 LYS HB3 1 1 16 3514 1 1 4 LYS HD2 H -5.509 -1.491 -6.264 1.00 . A A . 4 LYS HD2 1 1 16 3515 1 1 4 LYS HD3 H -3.979 -2.250 -6.713 1.00 . A A . 4 LYS HD3 1 1 16 3516 1 1 4 LYS HE2 H -4.939 -4.450 -6.260 1.00 . A A . 4 LYS HE2 1 1 16 3517 1 1 4 LYS HE3 H -6.464 -3.696 -5.804 1.00 . A A . 4 LYS HE3 1 1 16 3518 1 1 4 LYS HG2 H -3.818 -3.196 -4.437 1.00 . A A . 4 LYS HG2 1 1 16 3519 1 1 4 LYS HG3 H -5.304 -2.347 -4.002 1.00 . A A . 4 LYS HG3 1 1 16 3520 1 1 4 LYS HZ1 H -6.320 -2.677 -8.158 1.00 . A A . 4 LYS HZ1 1 1 16 3521 1 1 4 LYS HZ2 H -6.831 -4.281 -7.983 1.00 . A A . 4 LYS HZ2 1 1 16 3522 1 1 4 LYS HZ3 H -5.247 -3.945 -8.470 1.00 . A A . 4 LYS HZ3 1 1 16 3523 1 1 4 LYS N N -4.241 -1.126 -1.929 1.00 . A A . 4 LYS N 1 1 16 3524 1 1 4 LYS NZ N -6.029 -3.630 -7.862 1.00 . A A . 4 LYS NZ 1 1 16 3525 1 1 4 LYS O O -1.122 0.275 -2.982 1.00 . A A . 4 LYS O 1 1 16 3526 1 1 5 GLN C C -1.656 2.552 -0.499 1.00 . A A . 5 GLN C 1 1 16 3527 1 1 5 GLN CA C -2.279 2.505 -1.886 1.00 . A A . 5 GLN CA 1 1 16 3528 1 1 5 GLN CB C -3.269 3.648 -2.045 1.00 . A A . 5 GLN CB 1 1 16 3529 1 1 5 GLN CD C -5.472 4.655 -1.325 1.00 . A A . 5 GLN CD 1 1 16 3530 1 1 5 GLN CG C -4.515 3.486 -1.189 1.00 . A A . 5 GLN CG 1 1 16 3531 1 1 5 GLN H H -3.892 1.138 -1.897 1.00 . A A . 5 GLN H 1 1 16 3532 1 1 5 GLN HA H -1.499 2.615 -2.623 1.00 . A A . 5 GLN HA 1 1 16 3533 1 1 5 GLN HB2 H -2.778 4.565 -1.765 1.00 . A A . 5 GLN HB2 1 1 16 3534 1 1 5 GLN HB3 H -3.569 3.706 -3.078 1.00 . A A . 5 GLN HB3 1 1 16 3535 1 1 5 GLN HE21 H -5.304 5.043 0.623 1.00 . A A . 5 GLN HE21 1 1 16 3536 1 1 5 GLN HE22 H -6.360 6.098 -0.275 1.00 . A A . 5 GLN HE22 1 1 16 3537 1 1 5 GLN HG2 H -5.028 2.584 -1.494 1.00 . A A . 5 GLN HG2 1 1 16 3538 1 1 5 GLN HG3 H -4.216 3.398 -0.155 1.00 . A A . 5 GLN HG3 1 1 16 3539 1 1 5 GLN N N -2.946 1.238 -2.127 1.00 . A A . 5 GLN N 1 1 16 3540 1 1 5 GLN NE2 N -5.739 5.333 -0.215 1.00 . A A . 5 GLN NE2 1 1 16 3541 1 1 5 GLN O O -1.154 3.593 -0.071 1.00 . A A . 5 GLN O 1 1 16 3542 1 1 5 GLN OE1 O -5.965 4.945 -2.414 1.00 . A A . 5 GLN OE1 1 1 16 3543 1 1 6 TYR C C 0.348 0.955 1.516 1.00 . A A . 6 TYR C 1 1 16 3544 1 1 6 TYR CA C -1.115 1.368 1.546 1.00 . A A . 6 TYR CA 1 1 16 3545 1 1 6 TYR CB C -1.916 0.418 2.439 1.00 . A A . 6 TYR CB 1 1 16 3546 1 1 6 TYR CD1 C -4.222 1.220 1.796 1.00 . A A . 6 TYR CD1 1 1 16 3547 1 1 6 TYR CD2 C -3.661 1.147 4.110 1.00 . A A . 6 TYR CD2 1 1 16 3548 1 1 6 TYR CE1 C -5.480 1.698 2.113 1.00 . A A . 6 TYR CE1 1 1 16 3549 1 1 6 TYR CE2 C -4.918 1.624 4.434 1.00 . A A . 6 TYR CE2 1 1 16 3550 1 1 6 TYR CG C -3.293 0.936 2.786 1.00 . A A . 6 TYR CG 1 1 16 3551 1 1 6 TYR CZ C -5.823 1.899 3.432 1.00 . A A . 6 TYR CZ 1 1 16 3552 1 1 6 TYR H H -2.096 0.623 -0.186 1.00 . A A . 6 TYR H 1 1 16 3553 1 1 6 TYR HA H -1.174 2.357 1.957 1.00 . A A . 6 TYR HA 1 1 16 3554 1 1 6 TYR HB2 H -2.035 -0.527 1.934 1.00 . A A . 6 TYR HB2 1 1 16 3555 1 1 6 TYR HB3 H -1.376 0.264 3.362 1.00 . A A . 6 TYR HB3 1 1 16 3556 1 1 6 TYR HD1 H -3.953 1.058 0.763 1.00 . A A . 6 TYR HD1 1 1 16 3557 1 1 6 TYR HD2 H -2.950 0.932 4.893 1.00 . A A . 6 TYR HD2 1 1 16 3558 1 1 6 TYR HE1 H -6.190 1.913 1.326 1.00 . A A . 6 TYR HE1 1 1 16 3559 1 1 6 TYR HE2 H -5.184 1.782 5.469 1.00 . A A . 6 TYR HE2 1 1 16 3560 1 1 6 TYR HH H -7.327 3.055 3.121 1.00 . A A . 6 TYR HH 1 1 16 3561 1 1 6 TYR N N -1.686 1.427 0.205 1.00 . A A . 6 TYR N 1 1 16 3562 1 1 6 TYR O O 1.113 1.291 2.421 1.00 . A A . 6 TYR O 1 1 16 3563 1 1 6 TYR OH O -7.074 2.376 3.751 1.00 . A A . 6 TYR OH 1 1 16 3564 1 1 7 TRP C C 2.935 0.797 -0.448 1.00 . A A . 7 TRP C 1 1 16 3565 1 1 7 TRP CA C 2.117 -0.200 0.346 1.00 . A A . 7 TRP CA 1 1 16 3566 1 1 7 TRP CB C 2.210 -1.593 -0.260 1.00 . A A . 7 TRP CB 1 1 16 3567 1 1 7 TRP CD1 C 0.205 -1.733 -1.822 1.00 . A A . 7 TRP CD1 1 1 16 3568 1 1 7 TRP CD2 C 2.183 -1.823 -2.832 1.00 . A A . 7 TRP CD2 1 1 16 3569 1 1 7 TRP CE2 C 1.189 -1.934 -3.815 1.00 . A A . 7 TRP CE2 1 1 16 3570 1 1 7 TRP CE3 C 3.514 -1.842 -3.203 1.00 . A A . 7 TRP CE3 1 1 16 3571 1 1 7 TRP CG C 1.537 -1.721 -1.576 1.00 . A A . 7 TRP CG 1 1 16 3572 1 1 7 TRP CH2 C 2.825 -2.079 -5.514 1.00 . A A . 7 TRP CH2 1 1 16 3573 1 1 7 TRP CZ2 C 1.499 -2.064 -5.168 1.00 . A A . 7 TRP CZ2 1 1 16 3574 1 1 7 TRP CZ3 C 3.832 -1.967 -4.544 1.00 . A A . 7 TRP CZ3 1 1 16 3575 1 1 7 TRP H H 0.096 0.018 -0.223 1.00 . A A . 7 TRP H 1 1 16 3576 1 1 7 TRP HA H 2.527 -0.235 1.334 1.00 . A A . 7 TRP HA 1 1 16 3577 1 1 7 TRP HB2 H 3.250 -1.849 -0.394 1.00 . A A . 7 TRP HB2 1 1 16 3578 1 1 7 TRP HB3 H 1.756 -2.301 0.418 1.00 . A A . 7 TRP HB3 1 1 16 3579 1 1 7 TRP HD1 H -0.550 -1.654 -1.050 1.00 . A A . 7 TRP HD1 1 1 16 3580 1 1 7 TRP HE1 H -0.898 -1.938 -3.605 1.00 . A A . 7 TRP HE1 1 1 16 3581 1 1 7 TRP HE3 H 4.288 -1.748 -2.457 1.00 . A A . 7 TRP HE3 1 1 16 3582 1 1 7 TRP HH2 H 3.114 -2.176 -6.550 1.00 . A A . 7 TRP HH2 1 1 16 3583 1 1 7 TRP HZ2 H 0.733 -2.151 -5.925 1.00 . A A . 7 TRP HZ2 1 1 16 3584 1 1 7 TRP HZ3 H 4.866 -1.984 -4.854 1.00 . A A . 7 TRP HZ3 1 1 16 3585 1 1 7 TRP N N 0.739 0.237 0.477 1.00 . A A . 7 TRP N 1 1 16 3586 1 1 7 TRP NE1 N -0.021 -1.884 -3.174 1.00 . A A . 7 TRP NE1 1 1 16 3587 1 1 7 TRP O O 3.505 0.473 -1.490 1.00 . A A . 7 TRP O 1 1 16 3588 1 1 8 TRP C C 5.229 2.907 -0.354 1.00 . A A . 8 TRP C 1 1 16 3589 1 1 8 TRP CA C 3.732 3.078 -0.579 1.00 . A A . 8 TRP CA 1 1 16 3590 1 1 8 TRP CB C 3.270 4.425 -0.033 1.00 . A A . 8 TRP CB 1 1 16 3591 1 1 8 TRP CD1 C 3.913 5.891 -2.035 1.00 . A A . 8 TRP CD1 1 1 16 3592 1 1 8 TRP CD2 C 4.662 6.647 -0.064 1.00 . A A . 8 TRP CD2 1 1 16 3593 1 1 8 TRP CE2 C 5.081 7.534 -1.074 1.00 . A A . 8 TRP CE2 1 1 16 3594 1 1 8 TRP CE3 C 5.014 6.920 1.261 1.00 . A A . 8 TRP CE3 1 1 16 3595 1 1 8 TRP CG C 3.920 5.600 -0.701 1.00 . A A . 8 TRP CG 1 1 16 3596 1 1 8 TRP CH2 C 6.163 8.915 0.507 1.00 . A A . 8 TRP CH2 1 1 16 3597 1 1 8 TRP CZ2 C 5.833 8.674 -0.799 1.00 . A A . 8 TRP CZ2 1 1 16 3598 1 1 8 TRP CZ3 C 5.761 8.050 1.532 1.00 . A A . 8 TRP CZ3 1 1 16 3599 1 1 8 TRP H H 2.503 2.196 0.894 1.00 . A A . 8 TRP H 1 1 16 3600 1 1 8 TRP HA H 3.530 3.040 -1.639 1.00 . A A . 8 TRP HA 1 1 16 3601 1 1 8 TRP HB2 H 2.207 4.505 -0.169 1.00 . A A . 8 TRP HB2 1 1 16 3602 1 1 8 TRP HB3 H 3.496 4.473 1.022 1.00 . A A . 8 TRP HB3 1 1 16 3603 1 1 8 TRP HD1 H 3.429 5.285 -2.787 1.00 . A A . 8 TRP HD1 1 1 16 3604 1 1 8 TRP HE1 H 4.751 7.465 -3.145 1.00 . A A . 8 TRP HE1 1 1 16 3605 1 1 8 TRP HE3 H 4.714 6.265 2.066 1.00 . A A . 8 TRP HE3 1 1 16 3606 1 1 8 TRP HH2 H 6.746 9.788 0.765 1.00 . A A . 8 TRP HH2 1 1 16 3607 1 1 8 TRP HZ2 H 6.151 9.350 -1.579 1.00 . A A . 8 TRP HZ2 1 1 16 3608 1 1 8 TRP HZ3 H 6.043 8.278 2.550 1.00 . A A . 8 TRP HZ3 1 1 16 3609 1 1 8 TRP N N 2.986 2.012 0.061 1.00 . A A . 8 TRP N 1 1 16 3610 1 1 8 TRP NE1 N 4.613 7.050 -2.267 1.00 . A A . 8 TRP NE1 1 1 16 3611 1 1 8 TRP O O 6.031 3.169 -1.250 1.00 . A A . 8 TRP O 1 1 16 3612 1 1 9 ARG C C 7.334 1.024 1.975 1.00 . A A . 9 ARG C 1 1 16 3613 1 1 9 ARG CA C 7.021 2.297 1.169 1.00 . A A . 9 ARG CA 1 1 16 3614 1 1 9 ARG CB C 7.535 3.510 1.942 1.00 . A A . 9 ARG CB 1 1 16 3615 1 1 9 ARG CD C 8.371 4.744 -0.083 1.00 . A A . 9 ARG CD 1 1 16 3616 1 1 9 ARG CG C 7.479 4.806 1.149 1.00 . A A . 9 ARG CG 1 1 16 3617 1 1 9 ARG CZ C 10.515 5.395 0.948 1.00 . A A . 9 ARG CZ 1 1 16 3618 1 1 9 ARG H H 4.924 2.297 1.530 1.00 . A A . 9 ARG H 1 1 16 3619 1 1 9 ARG HA H 7.558 2.244 0.235 1.00 . A A . 9 ARG HA 1 1 16 3620 1 1 9 ARG HB2 H 6.935 3.632 2.833 1.00 . A A . 9 ARG HB2 1 1 16 3621 1 1 9 ARG HB3 H 8.559 3.332 2.230 1.00 . A A . 9 ARG HB3 1 1 16 3622 1 1 9 ARG HD2 H 8.038 3.932 -0.711 1.00 . A A . 9 ARG HD2 1 1 16 3623 1 1 9 ARG HD3 H 8.283 5.675 -0.622 1.00 . A A . 9 ARG HD3 1 1 16 3624 1 1 9 ARG HE H 10.182 3.681 -0.016 1.00 . A A . 9 ARG HE 1 1 16 3625 1 1 9 ARG HG2 H 6.461 4.979 0.835 1.00 . A A . 9 ARG HG2 1 1 16 3626 1 1 9 ARG HG3 H 7.805 5.617 1.781 1.00 . A A . 9 ARG HG3 1 1 16 3627 1 1 9 ARG HH11 H 9.075 6.810 1.064 1.00 . A A . 9 ARG HH11 1 1 16 3628 1 1 9 ARG HH12 H 10.575 7.216 1.825 1.00 . A A . 9 ARG HH12 1 1 16 3629 1 1 9 ARG HH21 H 12.159 4.221 0.976 1.00 . A A . 9 ARG HH21 1 1 16 3630 1 1 9 ARG HH22 H 12.326 5.749 1.772 1.00 . A A . 9 ARG HH22 1 1 16 3631 1 1 9 ARG N N 5.606 2.480 0.849 1.00 . A A . 9 ARG N 1 1 16 3632 1 1 9 ARG NE N 9.775 4.527 0.263 1.00 . A A . 9 ARG NE 1 1 16 3633 1 1 9 ARG NH1 N 10.013 6.570 1.309 1.00 . A A . 9 ARG NH1 1 1 16 3634 1 1 9 ARG NH2 N 11.769 5.097 1.257 1.00 . A A . 9 ARG NH2 1 1 16 3635 1 1 9 ARG O O 8.439 0.908 2.507 1.00 . A A . 9 ARG O 1 1 16 3636 1 1 10 PRO C C 7.753 -2.053 2.170 1.00 . A A . 10 PRO C 1 1 16 3637 1 1 10 PRO CA C 6.701 -1.187 2.851 1.00 . A A . 10 PRO CA 1 1 16 3638 1 1 10 PRO CB C 5.358 -1.909 2.874 1.00 . A A . 10 PRO CB 1 1 16 3639 1 1 10 PRO CD C 5.054 0.012 1.518 1.00 . A A . 10 PRO CD 1 1 16 3640 1 1 10 PRO CG C 4.677 -1.439 1.642 1.00 . A A . 10 PRO CG 1 1 16 3641 1 1 10 PRO HA H 7.017 -0.964 3.857 1.00 . A A . 10 PRO HA 1 1 16 3642 1 1 10 PRO HB2 H 5.517 -2.978 2.861 1.00 . A A . 10 PRO HB2 1 1 16 3643 1 1 10 PRO HB3 H 4.810 -1.628 3.760 1.00 . A A . 10 PRO HB3 1 1 16 3644 1 1 10 PRO HD2 H 5.054 0.324 0.482 1.00 . A A . 10 PRO HD2 1 1 16 3645 1 1 10 PRO HD3 H 4.378 0.621 2.100 1.00 . A A . 10 PRO HD3 1 1 16 3646 1 1 10 PRO HG2 H 5.031 -1.997 0.788 1.00 . A A . 10 PRO HG2 1 1 16 3647 1 1 10 PRO HG3 H 3.611 -1.546 1.753 1.00 . A A . 10 PRO HG3 1 1 16 3648 1 1 10 PRO N N 6.414 0.041 2.092 1.00 . A A . 10 PRO N 1 1 16 3649 1 1 10 PRO O O 8.404 -2.876 2.815 1.00 . A A . 10 PRO O 1 1 16 3650 1 1 11 SER C C 10.319 -2.284 0.509 1.00 . A A . 11 SER C 1 1 16 3651 1 1 11 SER CA C 8.887 -2.627 0.096 1.00 . A A . 11 SER CA 1 1 16 3652 1 1 11 SER CB C 8.700 -2.365 -1.401 1.00 . A A . 11 SER CB 1 1 16 3653 1 1 11 SER H H 7.361 -1.194 0.408 1.00 . A A . 11 SER H 1 1 16 3654 1 1 11 SER HA H 8.712 -3.676 0.290 1.00 . A A . 11 SER HA 1 1 16 3655 1 1 11 SER HB2 H 9.429 -2.934 -1.957 1.00 . A A . 11 SER HB2 1 1 16 3656 1 1 11 SER HB3 H 7.706 -2.667 -1.696 1.00 . A A . 11 SER HB3 1 1 16 3657 1 1 11 SER HG H 8.555 -0.817 -2.593 1.00 . A A . 11 SER HG 1 1 16 3658 1 1 11 SER N N 7.912 -1.864 0.865 1.00 . A A . 11 SER N 1 1 16 3659 1 1 11 SER O O 11.269 -2.924 0.059 1.00 . A A . 11 SER O 1 1 16 3660 1 1 11 SER OG O 8.870 -0.991 -1.702 1.00 . A A . 11 SER OG 1 1 16 3661 1 1 12 ILE C C 12.632 -0.328 0.664 1.00 . A A . 12 ILE C 1 1 16 3662 1 1 12 ILE CA C 11.793 -0.858 1.822 1.00 . A A . 12 ILE CA 1 1 16 3663 1 1 12 ILE CB C 12.544 -2.025 2.500 1.00 . A A . 12 ILE CB 1 1 16 3664 1 1 12 ILE CD1 C 11.468 -1.534 4.752 1.00 . A A . 12 ILE CD1 1 1 16 3665 1 1 12 ILE CG1 C 11.732 -2.565 3.678 1.00 . A A . 12 ILE CG1 1 1 16 3666 1 1 12 ILE CG2 C 13.922 -1.577 2.965 1.00 . A A . 12 ILE CG2 1 1 16 3667 1 1 12 ILE H H 9.683 -0.792 1.691 1.00 . A A . 12 ILE H 1 1 16 3668 1 1 12 ILE HA H 11.663 -0.071 2.550 1.00 . A A . 12 ILE HA 1 1 16 3669 1 1 12 ILE HB H 12.675 -2.811 1.772 1.00 . A A . 12 ILE HB 1 1 16 3670 1 1 12 ILE HD11 H 12.135 -0.695 4.618 1.00 . A A . 12 ILE HD11 1 1 16 3671 1 1 12 ILE HD12 H 11.634 -1.974 5.724 1.00 . A A . 12 ILE HD12 1 1 16 3672 1 1 12 ILE HD13 H 10.445 -1.194 4.682 1.00 . A A . 12 ILE HD13 1 1 16 3673 1 1 12 ILE HG12 H 10.778 -2.920 3.317 1.00 . A A . 12 ILE HG12 1 1 16 3674 1 1 12 ILE HG13 H 12.270 -3.386 4.130 1.00 . A A . 12 ILE HG13 1 1 16 3675 1 1 12 ILE HG21 H 14.490 -1.223 2.119 1.00 . A A . 12 ILE HG21 1 1 16 3676 1 1 12 ILE HG22 H 14.436 -2.411 3.422 1.00 . A A . 12 ILE HG22 1 1 16 3677 1 1 12 ILE HG23 H 13.817 -0.782 3.687 1.00 . A A . 12 ILE HG23 1 1 16 3678 1 1 12 ILE N N 10.473 -1.272 1.363 1.00 . A A . 12 ILE N 1 1 16 3679 1 1 12 ILE O O 13.579 0.443 0.924 1.00 . A A . 12 ILE O 1 1 16 3680 1 1 12 ILE OXT O 12.334 -0.689 -0.494 1.00 . A A . 12 ILE OXT 1 1 17 3681 1 1 1 HIS C C -9.986 0.355 -1.257 1.00 . A A . 1 HIS C 1 1 17 3682 1 1 1 HIS CA C -11.110 1.292 -1.701 1.00 . A A . 1 HIS CA 1 1 17 3683 1 1 1 HIS CB C -10.549 2.685 -2.000 1.00 . A A . 1 HIS CB 1 1 17 3684 1 1 1 HIS CD2 C -8.695 3.797 -0.569 1.00 . A A . 1 HIS CD2 1 1 17 3685 1 1 1 HIS CE1 C -9.889 4.236 1.218 1.00 . A A . 1 HIS CE1 1 1 17 3686 1 1 1 HIS CG C -9.954 3.357 -0.803 1.00 . A A . 1 HIS CG 1 1 17 3687 1 1 1 HIS H1 H -12.694 2.283 -0.838 1.00 . A A . 1 HIS H1 1 1 17 3688 1 1 1 HIS H2 H -11.664 1.474 0.273 1.00 . A A . 1 HIS H2 1 1 17 3689 1 1 1 HIS H3 H -12.758 0.576 -0.699 1.00 . A A . 1 HIS H3 1 1 17 3690 1 1 1 HIS HA H -11.573 0.896 -2.592 1.00 . A A . 1 HIS HA 1 1 17 3691 1 1 1 HIS HB2 H -9.779 2.601 -2.752 1.00 . A A . 1 HIS HB2 1 1 17 3692 1 1 1 HIS HB3 H -11.345 3.312 -2.374 1.00 . A A . 1 HIS HB3 1 1 17 3693 1 1 1 HIS HD1 H -11.627 3.450 0.476 1.00 . A A . 1 HIS HD1 1 1 17 3694 1 1 1 HIS HD2 H -7.856 3.732 -1.246 1.00 . A A . 1 HIS HD2 1 1 17 3695 1 1 1 HIS HE1 H -10.183 4.574 2.200 1.00 . A A . 1 HIS HE1 1 1 17 3696 1 1 1 HIS HE2 H -7.884 4.642 1.174 1.00 . A A . 1 HIS HE2 1 1 17 3697 1 1 1 HIS N N -12.151 1.418 -0.647 1.00 . A A . 1 HIS N 1 1 17 3698 1 1 1 HIS ND1 N -10.677 3.647 0.336 1.00 . A A . 1 HIS ND1 1 1 17 3699 1 1 1 HIS NE2 N -8.682 4.338 0.694 1.00 . A A . 1 HIS NE2 1 1 17 3700 1 1 1 HIS O O -9.550 0.404 -0.108 1.00 . A A . 1 HIS O 1 1 17 3701 1 1 2 PRO C C -7.281 -0.857 -1.120 1.00 . A A . 2 PRO C 1 1 17 3702 1 1 2 PRO CA C -8.439 -1.472 -1.874 1.00 . A A . 2 PRO CA 1 1 17 3703 1 1 2 PRO CB C -7.972 -1.933 -3.264 1.00 . A A . 2 PRO CB 1 1 17 3704 1 1 2 PRO CD C -9.948 -0.669 -3.543 1.00 . A A . 2 PRO CD 1 1 17 3705 1 1 2 PRO CG C -8.665 -1.028 -4.219 1.00 . A A . 2 PRO CG 1 1 17 3706 1 1 2 PRO HA H -8.812 -2.321 -1.322 1.00 . A A . 2 PRO HA 1 1 17 3707 1 1 2 PRO HB2 H -6.899 -1.838 -3.337 1.00 . A A . 2 PRO HB2 1 1 17 3708 1 1 2 PRO HB3 H -8.258 -2.962 -3.419 1.00 . A A . 2 PRO HB3 1 1 17 3709 1 1 2 PRO HD2 H -10.356 0.249 -3.938 1.00 . A A . 2 PRO HD2 1 1 17 3710 1 1 2 PRO HD3 H -10.648 -1.481 -3.624 1.00 . A A . 2 PRO HD3 1 1 17 3711 1 1 2 PRO HG2 H -8.067 -0.144 -4.392 1.00 . A A . 2 PRO HG2 1 1 17 3712 1 1 2 PRO HG3 H -8.856 -1.547 -5.143 1.00 . A A . 2 PRO HG3 1 1 17 3713 1 1 2 PRO N N -9.504 -0.516 -2.163 1.00 . A A . 2 PRO N 1 1 17 3714 1 1 2 PRO O O -7.151 0.362 -1.014 1.00 . A A . 2 PRO O 1 1 17 3715 1 1 3 LEU C C -4.034 -1.158 -0.731 1.00 . A A . 3 LEU C 1 1 17 3716 1 1 3 LEU CA C -5.268 -1.315 0.151 1.00 . A A . 3 LEU CA 1 1 17 3717 1 1 3 LEU CB C -4.973 -2.299 1.286 1.00 . A A . 3 LEU CB 1 1 17 3718 1 1 3 LEU CD1 C -3.580 -3.916 -0.043 1.00 . A A . 3 LEU CD1 1 1 17 3719 1 1 3 LEU CD2 C -4.665 -4.653 2.087 1.00 . A A . 3 LEU CD2 1 1 17 3720 1 1 3 LEU CG C -4.791 -3.758 0.863 1.00 . A A . 3 LEU CG 1 1 17 3721 1 1 3 LEU H H -6.623 -2.683 -0.747 1.00 . A A . 3 LEU H 1 1 17 3722 1 1 3 LEU HA H -5.498 -0.356 0.583 1.00 . A A . 3 LEU HA 1 1 17 3723 1 1 3 LEU HB2 H -4.067 -1.976 1.780 1.00 . A A . 3 LEU HB2 1 1 17 3724 1 1 3 LEU HB3 H -5.786 -2.251 1.996 1.00 . A A . 3 LEU HB3 1 1 17 3725 1 1 3 LEU HD11 H -3.256 -4.946 -0.035 1.00 . A A . 3 LEU HD11 1 1 17 3726 1 1 3 LEU HD12 H -2.779 -3.284 0.314 1.00 . A A . 3 LEU HD12 1 1 17 3727 1 1 3 LEU HD13 H -3.843 -3.629 -1.050 1.00 . A A . 3 LEU HD13 1 1 17 3728 1 1 3 LEU HD21 H -5.130 -4.172 2.934 1.00 . A A . 3 LEU HD21 1 1 17 3729 1 1 3 LEU HD22 H -3.621 -4.827 2.299 1.00 . A A . 3 LEU HD22 1 1 17 3730 1 1 3 LEU HD23 H -5.156 -5.596 1.895 1.00 . A A . 3 LEU HD23 1 1 17 3731 1 1 3 LEU HG H -5.662 -4.070 0.308 1.00 . A A . 3 LEU HG 1 1 17 3732 1 1 3 LEU N N -6.444 -1.730 -0.605 1.00 . A A . 3 LEU N 1 1 17 3733 1 1 3 LEU O O -2.923 -1.005 -0.220 1.00 . A A . 3 LEU O 1 1 17 3734 1 1 4 LYS C C -2.274 0.183 -2.666 1.00 . A A . 4 LYS C 1 1 17 3735 1 1 4 LYS CA C -3.074 -1.077 -2.959 1.00 . A A . 4 LYS CA 1 1 17 3736 1 1 4 LYS CB C -3.527 -1.051 -4.413 1.00 . A A . 4 LYS CB 1 1 17 3737 1 1 4 LYS CD C -4.595 -2.285 -6.325 1.00 . A A . 4 LYS CD 1 1 17 3738 1 1 4 LYS CE C -5.271 -1.010 -6.801 1.00 . A A . 4 LYS CE 1 1 17 3739 1 1 4 LYS CG C -4.340 -2.263 -4.824 1.00 . A A . 4 LYS CG 1 1 17 3740 1 1 4 LYS H H -5.109 -1.339 -2.415 1.00 . A A . 4 LYS H 1 1 17 3741 1 1 4 LYS HA H -2.439 -1.933 -2.805 1.00 . A A . 4 LYS HA 1 1 17 3742 1 1 4 LYS HB2 H -4.130 -0.169 -4.573 1.00 . A A . 4 LYS HB2 1 1 17 3743 1 1 4 LYS HB3 H -2.653 -0.997 -5.040 1.00 . A A . 4 LYS HB3 1 1 17 3744 1 1 4 LYS HD2 H -3.651 -2.392 -6.837 1.00 . A A . 4 LYS HD2 1 1 17 3745 1 1 4 LYS HD3 H -5.229 -3.128 -6.559 1.00 . A A . 4 LYS HD3 1 1 17 3746 1 1 4 LYS HE2 H -4.609 -0.177 -6.619 1.00 . A A . 4 LYS HE2 1 1 17 3747 1 1 4 LYS HE3 H -5.464 -1.094 -7.859 1.00 . A A . 4 LYS HE3 1 1 17 3748 1 1 4 LYS HG2 H -3.801 -3.157 -4.545 1.00 . A A . 4 LYS HG2 1 1 17 3749 1 1 4 LYS HG3 H -5.286 -2.235 -4.307 1.00 . A A . 4 LYS HG3 1 1 17 3750 1 1 4 LYS HZ1 H -7.008 0.093 -6.456 1.00 . A A . 4 LYS HZ1 1 1 17 3751 1 1 4 LYS HZ2 H -6.381 -0.653 -5.073 1.00 . A A . 4 LYS HZ2 1 1 17 3752 1 1 4 LYS HZ3 H -7.200 -1.572 -6.234 1.00 . A A . 4 LYS HZ3 1 1 17 3753 1 1 4 LYS N N -4.209 -1.206 -2.049 1.00 . A A . 4 LYS N 1 1 17 3754 1 1 4 LYS NZ N -6.555 -0.768 -6.092 1.00 . A A . 4 LYS NZ 1 1 17 3755 1 1 4 LYS O O -1.088 0.273 -2.978 1.00 . A A . 4 LYS O 1 1 17 3756 1 1 5 GLN C C -1.608 2.349 -0.371 1.00 . A A . 5 GLN C 1 1 17 3757 1 1 5 GLN CA C -2.280 2.411 -1.736 1.00 . A A . 5 GLN CA 1 1 17 3758 1 1 5 GLN CB C -3.295 3.541 -1.753 1.00 . A A . 5 GLN CB 1 1 17 3759 1 1 5 GLN CD C -5.487 4.433 -0.866 1.00 . A A . 5 GLN CD 1 1 17 3760 1 1 5 GLN CG C -4.509 3.274 -0.879 1.00 . A A . 5 GLN CG 1 1 17 3761 1 1 5 GLN H H -3.876 1.031 -1.852 1.00 . A A . 5 GLN H 1 1 17 3762 1 1 5 GLN HA H -1.530 2.606 -2.487 1.00 . A A . 5 GLN HA 1 1 17 3763 1 1 5 GLN HB2 H -2.811 4.438 -1.398 1.00 . A A . 5 GLN HB2 1 1 17 3764 1 1 5 GLN HB3 H -3.629 3.694 -2.766 1.00 . A A . 5 GLN HB3 1 1 17 3765 1 1 5 GLN HE21 H -5.272 4.614 1.107 1.00 . A A . 5 GLN HE21 1 1 17 3766 1 1 5 GLN HE22 H -6.366 5.742 0.351 1.00 . A A . 5 GLN HE22 1 1 17 3767 1 1 5 GLN HG2 H -5.019 2.397 -1.256 1.00 . A A . 5 GLN HG2 1 1 17 3768 1 1 5 GLN HG3 H -4.175 3.087 0.131 1.00 . A A . 5 GLN HG3 1 1 17 3769 1 1 5 GLN N N -2.931 1.156 -2.069 1.00 . A A . 5 GLN N 1 1 17 3770 1 1 5 GLN NE2 N -5.733 4.985 0.317 1.00 . A A . 5 GLN NE2 1 1 17 3771 1 1 5 GLN O O -1.097 3.355 0.121 1.00 . A A . 5 GLN O 1 1 17 3772 1 1 5 GLN OE1 O -6.014 4.827 -1.905 1.00 . A A . 5 GLN OE1 1 1 17 3773 1 1 6 TYR C C 0.481 0.629 1.428 1.00 . A A . 6 TYR C 1 1 17 3774 1 1 6 TYR CA C -0.982 1.013 1.548 1.00 . A A . 6 TYR CA 1 1 17 3775 1 1 6 TYR CB C -1.730 -0.018 2.399 1.00 . A A . 6 TYR CB 1 1 17 3776 1 1 6 TYR CD1 C -4.078 0.813 1.982 1.00 . A A . 6 TYR CD1 1 1 17 3777 1 1 6 TYR CD2 C -3.353 0.566 4.239 1.00 . A A . 6 TYR CD2 1 1 17 3778 1 1 6 TYR CE1 C -5.310 1.256 2.425 1.00 . A A . 6 TYR CE1 1 1 17 3779 1 1 6 TYR CE2 C -4.584 1.008 4.687 1.00 . A A . 6 TYR CE2 1 1 17 3780 1 1 6 TYR CG C -3.080 0.460 2.881 1.00 . A A . 6 TYR CG 1 1 17 3781 1 1 6 TYR CZ C -5.558 1.351 3.777 1.00 . A A . 6 TYR CZ 1 1 17 3782 1 1 6 TYR H H -2.021 0.395 -0.197 1.00 . A A . 6 TYR H 1 1 17 3783 1 1 6 TYR HA H -1.035 1.966 2.040 1.00 . A A . 6 TYR HA 1 1 17 3784 1 1 6 TYR HB2 H -1.884 -0.912 1.815 1.00 . A A . 6 TYR HB2 1 1 17 3785 1 1 6 TYR HB3 H -1.133 -0.257 3.267 1.00 . A A . 6 TYR HB3 1 1 17 3786 1 1 6 TYR HD1 H -3.883 0.732 0.924 1.00 . A A . 6 TYR HD1 1 1 17 3787 1 1 6 TYR HD2 H -2.588 0.296 4.949 1.00 . A A . 6 TYR HD2 1 1 17 3788 1 1 6 TYR HE1 H -6.074 1.527 1.709 1.00 . A A . 6 TYR HE1 1 1 17 3789 1 1 6 TYR HE2 H -4.777 1.082 5.748 1.00 . A A . 6 TYR HE2 1 1 17 3790 1 1 6 TYR HH H -6.982 2.644 3.824 1.00 . A A . 6 TYR HH 1 1 17 3791 1 1 6 TYR N N -1.604 1.171 0.242 1.00 . A A . 6 TYR N 1 1 17 3792 1 1 6 TYR O O 1.285 0.928 2.313 1.00 . A A . 6 TYR O 1 1 17 3793 1 1 6 TYR OH O -6.785 1.791 4.220 1.00 . A A . 6 TYR OH 1 1 17 3794 1 1 7 TRP C C 2.973 0.625 -0.660 1.00 . A A . 7 TRP C 1 1 17 3795 1 1 7 TRP CA C 2.207 -0.428 0.112 1.00 . A A . 7 TRP CA 1 1 17 3796 1 1 7 TRP CB C 2.290 -1.780 -0.578 1.00 . A A . 7 TRP CB 1 1 17 3797 1 1 7 TRP CD1 C 0.224 -1.856 -2.062 1.00 . A A . 7 TRP CD1 1 1 17 3798 1 1 7 TRP CD2 C 2.160 -1.852 -3.156 1.00 . A A . 7 TRP CD2 1 1 17 3799 1 1 7 TRP CE2 C 1.129 -1.919 -4.104 1.00 . A A . 7 TRP CE2 1 1 17 3800 1 1 7 TRP CE3 C 3.475 -1.824 -3.584 1.00 . A A . 7 TRP CE3 1 1 17 3801 1 1 7 TRP CG C 1.566 -1.838 -1.872 1.00 . A A . 7 TRP CG 1 1 17 3802 1 1 7 TRP CH2 C 2.692 -1.932 -5.872 1.00 . A A . 7 TRP CH2 1 1 17 3803 1 1 7 TRP CZ2 C 1.381 -1.961 -5.473 1.00 . A A . 7 TRP CZ2 1 1 17 3804 1 1 7 TRP CZ3 C 3.737 -1.862 -4.940 1.00 . A A . 7 TRP CZ3 1 1 17 3805 1 1 7 TRP H H 0.153 -0.216 -0.346 1.00 . A A . 7 TRP H 1 1 17 3806 1 1 7 TRP HA H 2.665 -0.513 1.075 1.00 . A A . 7 TRP HA 1 1 17 3807 1 1 7 TRP HB2 H 3.326 -2.015 -0.768 1.00 . A A . 7 TRP HB2 1 1 17 3808 1 1 7 TRP HB3 H 1.870 -2.533 0.072 1.00 . A A . 7 TRP HB3 1 1 17 3809 1 1 7 TRP HD1 H -0.498 -1.836 -1.258 1.00 . A A . 7 TRP HD1 1 1 17 3810 1 1 7 TRP HE1 H -0.946 -1.973 -3.811 1.00 . A A . 7 TRP HE1 1 1 17 3811 1 1 7 TRP HE3 H 4.277 -1.763 -2.864 1.00 . A A . 7 TRP HE3 1 1 17 3812 1 1 7 TRP HH2 H 2.938 -1.961 -6.924 1.00 . A A . 7 TRP HH2 1 1 17 3813 1 1 7 TRP HZ2 H 0.587 -2.014 -6.202 1.00 . A A . 7 TRP HZ2 1 1 17 3814 1 1 7 TRP HZ3 H 4.758 -1.842 -5.291 1.00 . A A . 7 TRP HZ3 1 1 17 3815 1 1 7 TRP N N 0.830 -0.024 0.332 1.00 . A A . 7 TRP N 1 1 17 3816 1 1 7 TRP NE1 N -0.054 -1.930 -3.412 1.00 . A A . 7 TRP NE1 1 1 17 3817 1 1 7 TRP O O 3.513 0.364 -1.735 1.00 . A A . 7 TRP O 1 1 17 3818 1 1 8 TRP C C 5.156 2.984 -0.238 1.00 . A A . 8 TRP C 1 1 17 3819 1 1 8 TRP CA C 3.712 2.928 -0.713 1.00 . A A . 8 TRP CA 1 1 17 3820 1 1 8 TRP CB C 3.000 4.234 -0.383 1.00 . A A . 8 TRP CB 1 1 17 3821 1 1 8 TRP CD1 C 3.736 5.621 -2.409 1.00 . A A . 8 TRP CD1 1 1 17 3822 1 1 8 TRP CD2 C 4.107 6.611 -0.434 1.00 . A A . 8 TRP CD2 1 1 17 3823 1 1 8 TRP CE2 C 4.553 7.470 -1.458 1.00 . A A . 8 TRP CE2 1 1 17 3824 1 1 8 TRP CE3 C 4.234 7.024 0.895 1.00 . A A . 8 TRP CE3 1 1 17 3825 1 1 8 TRP CG C 3.590 5.432 -1.064 1.00 . A A . 8 TRP CG 1 1 17 3826 1 1 8 TRP CH2 C 5.230 9.093 0.118 1.00 . A A . 8 TRP CH2 1 1 17 3827 1 1 8 TRP CZ2 C 5.117 8.714 -1.192 1.00 . A A . 8 TRP CZ2 1 1 17 3828 1 1 8 TRP CZ3 C 4.796 8.260 1.157 1.00 . A A . 8 TRP CZ3 1 1 17 3829 1 1 8 TRP H H 2.560 1.954 0.761 1.00 . A A . 8 TRP H 1 1 17 3830 1 1 8 TRP HA H 3.700 2.779 -1.782 1.00 . A A . 8 TRP HA 1 1 17 3831 1 1 8 TRP HB2 H 1.971 4.149 -0.684 1.00 . A A . 8 TRP HB2 1 1 17 3832 1 1 8 TRP HB3 H 3.046 4.400 0.684 1.00 . A A . 8 TRP HB3 1 1 17 3833 1 1 8 TRP HD1 H 3.439 4.904 -3.159 1.00 . A A . 8 TRP HD1 1 1 17 3834 1 1 8 TRP HE1 H 4.528 7.205 -3.539 1.00 . A A . 8 TRP HE1 1 1 17 3835 1 1 8 TRP HE3 H 3.906 6.397 1.709 1.00 . A A . 8 TRP HE3 1 1 17 3836 1 1 8 TRP HH2 H 5.663 10.050 0.370 1.00 . A A . 8 TRP HH2 1 1 17 3837 1 1 8 TRP HZ2 H 5.457 9.369 -1.982 1.00 . A A . 8 TRP HZ2 1 1 17 3838 1 1 8 TRP HZ3 H 4.902 8.596 2.177 1.00 . A A . 8 TRP HZ3 1 1 17 3839 1 1 8 TRP N N 3.015 1.818 -0.097 1.00 . A A . 8 TRP N 1 1 17 3840 1 1 8 TRP NE1 N 4.317 6.843 -2.653 1.00 . A A . 8 TRP NE1 1 1 17 3841 1 1 8 TRP O O 6.049 3.371 -0.991 1.00 . A A . 8 TRP O 1 1 17 3842 1 1 9 ARG C C 7.135 1.309 2.270 1.00 . A A . 9 ARG C 1 1 17 3843 1 1 9 ARG CA C 6.727 2.626 1.588 1.00 . A A . 9 ARG CA 1 1 17 3844 1 1 9 ARG CB C 6.846 3.772 2.596 1.00 . A A . 9 ARG CB 1 1 17 3845 1 1 9 ARG CD C 7.878 5.573 1.138 1.00 . A A . 9 ARG CD 1 1 17 3846 1 1 9 ARG CG C 6.687 5.169 2.001 1.00 . A A . 9 ARG CG 1 1 17 3847 1 1 9 ARG CZ C 8.961 4.933 -0.980 1.00 . A A . 9 ARG CZ 1 1 17 3848 1 1 9 ARG H H 4.626 2.310 1.572 1.00 . A A . 9 ARG H 1 1 17 3849 1 1 9 ARG HA H 7.416 2.809 0.782 1.00 . A A . 9 ARG HA 1 1 17 3850 1 1 9 ARG HB2 H 6.086 3.644 3.354 1.00 . A A . 9 ARG HB2 1 1 17 3851 1 1 9 ARG HB3 H 7.816 3.717 3.067 1.00 . A A . 9 ARG HB3 1 1 17 3852 1 1 9 ARG HD2 H 7.782 6.618 0.888 1.00 . A A . 9 ARG HD2 1 1 17 3853 1 1 9 ARG HD3 H 8.782 5.427 1.712 1.00 . A A . 9 ARG HD3 1 1 17 3854 1 1 9 ARG HE H 7.260 4.162 -0.286 1.00 . A A . 9 ARG HE 1 1 17 3855 1 1 9 ARG HG2 H 5.798 5.185 1.391 1.00 . A A . 9 ARG HG2 1 1 17 3856 1 1 9 ARG HG3 H 6.581 5.879 2.807 1.00 . A A . 9 ARG HG3 1 1 17 3857 1 1 9 ARG HH11 H 9.948 6.354 0.067 1.00 . A A . 9 ARG HH11 1 1 17 3858 1 1 9 ARG HH12 H 10.684 5.889 -1.431 1.00 . A A . 9 ARG HH12 1 1 17 3859 1 1 9 ARG HH21 H 8.222 3.550 -2.255 1.00 . A A . 9 ARG HH21 1 1 17 3860 1 1 9 ARG HH22 H 9.703 4.298 -2.748 1.00 . A A . 9 ARG HH22 1 1 17 3861 1 1 9 ARG N N 5.381 2.603 1.018 1.00 . A A . 9 ARG N 1 1 17 3862 1 1 9 ARG NE N 7.973 4.802 -0.097 1.00 . A A . 9 ARG NE 1 1 17 3863 1 1 9 ARG NH1 N 9.945 5.796 -0.764 1.00 . A A . 9 ARG NH1 1 1 17 3864 1 1 9 ARG NH2 N 8.963 4.200 -2.085 1.00 . A A . 9 ARG NH2 1 1 17 3865 1 1 9 ARG O O 8.143 1.286 2.977 1.00 . A A . 9 ARG O 1 1 17 3866 1 1 10 PRO C C 8.020 -1.690 2.085 1.00 . A A . 10 PRO C 1 1 17 3867 1 1 10 PRO CA C 6.781 -1.083 2.721 1.00 . A A . 10 PRO CA 1 1 17 3868 1 1 10 PRO CB C 5.573 -1.978 2.471 1.00 . A A . 10 PRO CB 1 1 17 3869 1 1 10 PRO CD C 5.179 0.036 1.270 1.00 . A A . 10 PRO CD 1 1 17 3870 1 1 10 PRO CG C 5.011 -1.459 1.198 1.00 . A A . 10 PRO CG 1 1 17 3871 1 1 10 PRO HA H 6.944 -0.968 3.780 1.00 . A A . 10 PRO HA 1 1 17 3872 1 1 10 PRO HB2 H 5.891 -3.007 2.378 1.00 . A A . 10 PRO HB2 1 1 17 3873 1 1 10 PRO HB3 H 4.870 -1.880 3.284 1.00 . A A . 10 PRO HB3 1 1 17 3874 1 1 10 PRO HD2 H 5.307 0.457 0.282 1.00 . A A . 10 PRO HD2 1 1 17 3875 1 1 10 PRO HD3 H 4.329 0.484 1.765 1.00 . A A . 10 PRO HD3 1 1 17 3876 1 1 10 PRO HG2 H 5.561 -1.862 0.360 1.00 . A A . 10 PRO HG2 1 1 17 3877 1 1 10 PRO HG3 H 3.971 -1.721 1.128 1.00 . A A . 10 PRO HG3 1 1 17 3878 1 1 10 PRO N N 6.403 0.187 2.087 1.00 . A A . 10 PRO N 1 1 17 3879 1 1 10 PRO O O 8.738 -2.470 2.712 1.00 . A A . 10 PRO O 1 1 17 3880 1 1 11 SER C C 10.703 -1.714 0.931 1.00 . A A . 11 SER C 1 1 17 3881 1 1 11 SER CA C 9.424 -1.826 0.097 1.00 . A A . 11 SER CA 1 1 17 3882 1 1 11 SER CB C 9.591 -1.057 -1.214 1.00 . A A . 11 SER CB 1 1 17 3883 1 1 11 SER H H 7.655 -0.699 0.388 1.00 . A A . 11 SER H 1 1 17 3884 1 1 11 SER HA H 9.247 -2.867 -0.127 1.00 . A A . 11 SER HA 1 1 17 3885 1 1 11 SER HB2 H 10.446 -1.443 -1.749 1.00 . A A . 11 SER HB2 1 1 17 3886 1 1 11 SER HB3 H 8.704 -1.183 -1.817 1.00 . A A . 11 SER HB3 1 1 17 3887 1 1 11 SER HG H 9.124 0.640 -0.356 1.00 . A A . 11 SER HG 1 1 17 3888 1 1 11 SER N N 8.267 -1.324 0.831 1.00 . A A . 11 SER N 1 1 17 3889 1 1 11 SER O O 11.681 -2.419 0.675 1.00 . A A . 11 SER O 1 1 17 3890 1 1 11 SER OG O 9.788 0.326 -0.974 1.00 . A A . 11 SER OG 1 1 17 3891 1 1 12 ILE C C 12.248 -1.943 3.474 1.00 . A A . 12 ILE C 1 1 17 3892 1 1 12 ILE CA C 11.854 -0.638 2.787 1.00 . A A . 12 ILE CA 1 1 17 3893 1 1 12 ILE CB C 11.587 0.438 3.859 1.00 . A A . 12 ILE CB 1 1 17 3894 1 1 12 ILE CD1 C 14.043 1.105 3.952 1.00 . A A . 12 ILE CD1 1 1 17 3895 1 1 12 ILE CG1 C 12.829 0.650 4.731 1.00 . A A . 12 ILE CG1 1 1 17 3896 1 1 12 ILE CG2 C 10.394 0.045 4.718 1.00 . A A . 12 ILE CG2 1 1 17 3897 1 1 12 ILE H H 9.886 -0.293 2.088 1.00 . A A . 12 ILE H 1 1 17 3898 1 1 12 ILE HA H 12.676 -0.305 2.169 1.00 . A A . 12 ILE HA 1 1 17 3899 1 1 12 ILE HB H 11.347 1.362 3.356 1.00 . A A . 12 ILE HB 1 1 17 3900 1 1 12 ILE HD11 H 14.892 1.176 4.617 1.00 . A A . 12 ILE HD11 1 1 17 3901 1 1 12 ILE HD12 H 13.849 2.071 3.512 1.00 . A A . 12 ILE HD12 1 1 17 3902 1 1 12 ILE HD13 H 14.258 0.391 3.170 1.00 . A A . 12 ILE HD13 1 1 17 3903 1 1 12 ILE HG12 H 12.614 1.402 5.476 1.00 . A A . 12 ILE HG12 1 1 17 3904 1 1 12 ILE HG13 H 13.077 -0.278 5.223 1.00 . A A . 12 ILE HG13 1 1 17 3905 1 1 12 ILE HG21 H 9.732 -0.588 4.146 1.00 . A A . 12 ILE HG21 1 1 17 3906 1 1 12 ILE HG22 H 9.864 0.935 5.026 1.00 . A A . 12 ILE HG22 1 1 17 3907 1 1 12 ILE HG23 H 10.738 -0.490 5.591 1.00 . A A . 12 ILE HG23 1 1 17 3908 1 1 12 ILE N N 10.693 -0.829 1.927 1.00 . A A . 12 ILE N 1 1 17 3909 1 1 12 ILE O O 13.464 -2.181 3.638 1.00 . A A . 12 ILE O 1 1 17 3910 1 1 12 ILE OXT O 11.338 -2.716 3.840 1.00 . A A . 12 ILE OXT 1 1 18 3911 1 1 1 HIS C C -9.467 0.382 -1.459 1.00 . A A . 1 HIS C 1 1 18 3912 1 1 1 HIS CA C -10.312 1.215 -2.421 1.00 . A A . 1 HIS CA 1 1 18 3913 1 1 1 HIS CB C -10.422 2.656 -1.917 1.00 . A A . 1 HIS CB 1 1 18 3914 1 1 1 HIS CD2 C -12.353 4.248 -2.596 1.00 . A A . 1 HIS CD2 1 1 18 3915 1 1 1 HIS CE1 C -11.760 4.605 -4.675 1.00 . A A . 1 HIS CE1 1 1 18 3916 1 1 1 HIS CG C -11.217 3.545 -2.820 1.00 . A A . 1 HIS CG 1 1 18 3917 1 1 1 HIS H1 H -12.094 0.597 -1.598 1.00 . A A . 1 HIS H1 1 1 18 3918 1 1 1 HIS H2 H -11.600 -0.289 -2.981 1.00 . A A . 1 HIS H2 1 1 18 3919 1 1 1 HIS H3 H -12.232 1.297 -3.156 1.00 . A A . 1 HIS H3 1 1 18 3920 1 1 1 HIS HA H -9.846 1.212 -3.394 1.00 . A A . 1 HIS HA 1 1 18 3921 1 1 1 HIS HB2 H -10.897 2.656 -0.948 1.00 . A A . 1 HIS HB2 1 1 18 3922 1 1 1 HIS HB3 H -9.429 3.074 -1.826 1.00 . A A . 1 HIS HB3 1 1 18 3923 1 1 1 HIS HD1 H -10.091 3.424 -4.596 1.00 . A A . 1 HIS HD1 1 1 18 3924 1 1 1 HIS HD2 H -12.910 4.288 -1.669 1.00 . A A . 1 HIS HD2 1 1 18 3925 1 1 1 HIS HE1 H -11.745 4.968 -5.692 1.00 . A A . 1 HIS HE1 1 1 18 3926 1 1 1 HIS HE2 H -13.503 5.382 -3.934 1.00 . A A . 1 HIS HE2 1 1 18 3927 1 1 1 HIS N N -11.684 0.655 -2.551 1.00 . A A . 1 HIS N 1 1 18 3928 1 1 1 HIS ND1 N -10.871 3.791 -4.132 1.00 . A A . 1 HIS ND1 1 1 18 3929 1 1 1 HIS NE2 N -12.669 4.896 -3.763 1.00 . A A . 1 HIS NE2 1 1 18 3930 1 1 1 HIS O O -9.165 0.819 -0.348 1.00 . A A . 1 HIS O 1 1 18 3931 1 1 2 PRO C C -7.003 -1.100 -0.537 1.00 . A A . 2 PRO C 1 1 18 3932 1 1 2 PRO CA C -8.278 -1.744 -1.056 1.00 . A A . 2 PRO CA 1 1 18 3933 1 1 2 PRO CB C -7.927 -2.893 -2.021 1.00 . A A . 2 PRO CB 1 1 18 3934 1 1 2 PRO CD C -9.401 -1.445 -3.167 1.00 . A A . 2 PRO CD 1 1 18 3935 1 1 2 PRO CG C -8.241 -2.362 -3.375 1.00 . A A . 2 PRO CG 1 1 18 3936 1 1 2 PRO HA H -8.845 -2.134 -0.224 1.00 . A A . 2 PRO HA 1 1 18 3937 1 1 2 PRO HB2 H -6.880 -3.141 -1.928 1.00 . A A . 2 PRO HB2 1 1 18 3938 1 1 2 PRO HB3 H -8.530 -3.759 -1.787 1.00 . A A . 2 PRO HB3 1 1 18 3939 1 1 2 PRO HD2 H -9.458 -0.705 -3.951 1.00 . A A . 2 PRO HD2 1 1 18 3940 1 1 2 PRO HD3 H -10.311 -2.014 -3.101 1.00 . A A . 2 PRO HD3 1 1 18 3941 1 1 2 PRO HG2 H -7.393 -1.818 -3.767 1.00 . A A . 2 PRO HG2 1 1 18 3942 1 1 2 PRO HG3 H -8.512 -3.171 -4.037 1.00 . A A . 2 PRO HG3 1 1 18 3943 1 1 2 PRO N N -9.082 -0.836 -1.874 1.00 . A A . 2 PRO N 1 1 18 3944 1 1 2 PRO O O -6.842 0.119 -0.561 1.00 . A A . 2 PRO O 1 1 18 3945 1 1 3 LEU C C -3.753 -1.454 -0.637 1.00 . A A . 3 LEU C 1 1 18 3946 1 1 3 LEU CA C -4.818 -1.507 0.450 1.00 . A A . 3 LEU CA 1 1 18 3947 1 1 3 LEU CB C -4.363 -2.417 1.595 1.00 . A A . 3 LEU CB 1 1 18 3948 1 1 3 LEU CD1 C -3.344 -4.237 0.184 1.00 . A A . 3 LEU CD1 1 1 18 3949 1 1 3 LEU CD2 C -4.013 -4.711 2.543 1.00 . A A . 3 LEU CD2 1 1 18 3950 1 1 3 LEU CG C -4.341 -3.919 1.287 1.00 . A A . 3 LEU CG 1 1 18 3951 1 1 3 LEU H H -6.306 -2.904 -0.107 1.00 . A A . 3 LEU H 1 1 18 3952 1 1 3 LEU HA H -4.957 -0.513 0.837 1.00 . A A . 3 LEU HA 1 1 18 3953 1 1 3 LEU HB2 H -3.362 -2.117 1.879 1.00 . A A . 3 LEU HB2 1 1 18 3954 1 1 3 LEU HB3 H -5.020 -2.255 2.437 1.00 . A A . 3 LEU HB3 1 1 18 3955 1 1 3 LEU HD11 H -2.412 -3.735 0.388 1.00 . A A . 3 LEU HD11 1 1 18 3956 1 1 3 LEU HD12 H -3.737 -3.901 -0.765 1.00 . A A . 3 LEU HD12 1 1 18 3957 1 1 3 LEU HD13 H -3.179 -5.304 0.145 1.00 . A A . 3 LEU HD13 1 1 18 3958 1 1 3 LEU HD21 H -4.158 -5.765 2.353 1.00 . A A . 3 LEU HD21 1 1 18 3959 1 1 3 LEU HD22 H -4.661 -4.397 3.348 1.00 . A A . 3 LEU HD22 1 1 18 3960 1 1 3 LEU HD23 H -2.983 -4.536 2.821 1.00 . A A . 3 LEU HD23 1 1 18 3961 1 1 3 LEU HG H -5.320 -4.224 0.948 1.00 . A A . 3 LEU HG 1 1 18 3962 1 1 3 LEU N N -6.101 -1.950 -0.078 1.00 . A A . 3 LEU N 1 1 18 3963 1 1 3 LEU O O -2.569 -1.651 -0.365 1.00 . A A . 3 LEU O 1 1 18 3964 1 1 4 LYS C C -2.452 0.162 -2.964 1.00 . A A . 4 LYS C 1 1 18 3965 1 1 4 LYS CA C -3.236 -1.135 -2.982 1.00 . A A . 4 LYS CA 1 1 18 3966 1 1 4 LYS CB C -3.967 -1.284 -4.311 1.00 . A A . 4 LYS CB 1 1 18 3967 1 1 4 LYS CD C -3.886 -3.794 -4.281 1.00 . A A . 4 LYS CD 1 1 18 3968 1 1 4 LYS CE C -2.820 -3.838 -5.364 1.00 . A A . 4 LYS CE 1 1 18 3969 1 1 4 LYS CG C -4.772 -2.568 -4.421 1.00 . A A . 4 LYS CG 1 1 18 3970 1 1 4 LYS H H -5.126 -1.053 -2.037 1.00 . A A . 4 LYS H 1 1 18 3971 1 1 4 LYS HA H -2.546 -1.945 -2.861 1.00 . A A . 4 LYS HA 1 1 18 3972 1 1 4 LYS HB2 H -4.643 -0.449 -4.434 1.00 . A A . 4 LYS HB2 1 1 18 3973 1 1 4 LYS HB3 H -3.241 -1.268 -5.108 1.00 . A A . 4 LYS HB3 1 1 18 3974 1 1 4 LYS HD2 H -3.401 -3.769 -3.317 1.00 . A A . 4 LYS HD2 1 1 18 3975 1 1 4 LYS HD3 H -4.499 -4.680 -4.355 1.00 . A A . 4 LYS HD3 1 1 18 3976 1 1 4 LYS HE2 H -2.202 -2.958 -5.279 1.00 . A A . 4 LYS HE2 1 1 18 3977 1 1 4 LYS HE3 H -2.213 -4.719 -5.218 1.00 . A A . 4 LYS HE3 1 1 18 3978 1 1 4 LYS HG2 H -5.514 -2.579 -3.638 1.00 . A A . 4 LYS HG2 1 1 18 3979 1 1 4 LYS HG3 H -5.261 -2.593 -5.384 1.00 . A A . 4 LYS HG3 1 1 18 3980 1 1 4 LYS HZ1 H -3.998 -4.739 -6.836 1.00 . A A . 4 LYS HZ1 1 1 18 3981 1 1 4 LYS HZ2 H -2.665 -3.894 -7.446 1.00 . A A . 4 LYS HZ2 1 1 18 3982 1 1 4 LYS HZ3 H -4.017 -3.048 -6.882 1.00 . A A . 4 LYS HZ3 1 1 18 3983 1 1 4 LYS N N -4.172 -1.198 -1.870 1.00 . A A . 4 LYS N 1 1 18 3984 1 1 4 LYS NZ N -3.417 -3.883 -6.727 1.00 . A A . 4 LYS NZ 1 1 18 3985 1 1 4 LYS O O -1.301 0.214 -3.397 1.00 . A A . 4 LYS O 1 1 18 3986 1 1 5 GLN C C -1.693 2.607 -1.005 1.00 . A A . 5 GLN C 1 1 18 3987 1 1 5 GLN CA C -2.424 2.492 -2.337 1.00 . A A . 5 GLN CA 1 1 18 3988 1 1 5 GLN CB C -3.452 3.613 -2.478 1.00 . A A . 5 GLN CB 1 1 18 3989 1 1 5 GLN CD C -5.590 4.652 -1.631 1.00 . A A . 5 GLN CD 1 1 18 3990 1 1 5 GLN CG C -4.597 3.518 -1.484 1.00 . A A . 5 GLN CG 1 1 18 3991 1 1 5 GLN H H -3.984 1.082 -2.095 1.00 . A A . 5 GLN H 1 1 18 3992 1 1 5 GLN HA H -1.705 2.567 -3.139 1.00 . A A . 5 GLN HA 1 1 18 3993 1 1 5 GLN HB2 H -2.952 4.559 -2.331 1.00 . A A . 5 GLN HB2 1 1 18 3994 1 1 5 GLN HB3 H -3.865 3.584 -3.475 1.00 . A A . 5 GLN HB3 1 1 18 3995 1 1 5 GLN HE21 H -5.246 5.225 0.248 1.00 . A A . 5 GLN HE21 1 1 18 3996 1 1 5 GLN HE22 H -6.407 6.176 -0.638 1.00 . A A . 5 GLN HE22 1 1 18 3997 1 1 5 GLN HG2 H -5.116 2.583 -1.641 1.00 . A A . 5 GLN HG2 1 1 18 3998 1 1 5 GLN HG3 H -4.191 3.541 -0.484 1.00 . A A . 5 GLN HG3 1 1 18 3999 1 1 5 GLN N N -3.074 1.197 -2.440 1.00 . A A . 5 GLN N 1 1 18 4000 1 1 5 GLN NE2 N -5.766 5.429 -0.567 1.00 . A A . 5 GLN NE2 1 1 18 4001 1 1 5 GLN O O -1.213 3.680 -0.638 1.00 . A A . 5 GLN O 1 1 18 4002 1 1 5 GLN OE1 O -6.194 4.830 -2.689 1.00 . A A . 5 GLN OE1 1 1 18 4003 1 1 6 TYR C C 0.508 1.117 0.874 1.00 . A A . 6 TYR C 1 1 18 4004 1 1 6 TYR CA C -0.968 1.466 1.023 1.00 . A A . 6 TYR CA 1 1 18 4005 1 1 6 TYR CB C -1.646 0.456 1.957 1.00 . A A . 6 TYR CB 1 1 18 4006 1 1 6 TYR CD1 C -3.870 1.557 1.380 1.00 . A A . 6 TYR CD1 1 1 18 4007 1 1 6 TYR CD2 C -3.800 0.021 3.201 1.00 . A A . 6 TYR CD2 1 1 18 4008 1 1 6 TYR CE1 C -5.221 1.756 1.596 1.00 . A A . 6 TYR CE1 1 1 18 4009 1 1 6 TYR CE2 C -5.150 0.217 3.423 1.00 . A A . 6 TYR CE2 1 1 18 4010 1 1 6 TYR CG C -3.133 0.688 2.182 1.00 . A A . 6 TYR CG 1 1 18 4011 1 1 6 TYR CZ C -5.855 1.086 2.619 1.00 . A A . 6 TYR CZ 1 1 18 4012 1 1 6 TYR H H -2.035 0.670 -0.617 1.00 . A A . 6 TYR H 1 1 18 4013 1 1 6 TYR HA H -1.048 2.451 1.453 1.00 . A A . 6 TYR HA 1 1 18 4014 1 1 6 TYR HB2 H -1.532 -0.535 1.543 1.00 . A A . 6 TYR HB2 1 1 18 4015 1 1 6 TYR HB3 H -1.158 0.491 2.921 1.00 . A A . 6 TYR HB3 1 1 18 4016 1 1 6 TYR HD1 H -3.379 2.070 0.573 1.00 . A A . 6 TYR HD1 1 1 18 4017 1 1 6 TYR HD2 H -3.246 -0.658 3.832 1.00 . A A . 6 TYR HD2 1 1 18 4018 1 1 6 TYR HE1 H -5.772 2.438 0.965 1.00 . A A . 6 TYR HE1 1 1 18 4019 1 1 6 TYR HE2 H -5.648 -0.312 4.223 1.00 . A A . 6 TYR HE2 1 1 18 4020 1 1 6 TYR HH H -7.656 1.337 1.994 1.00 . A A . 6 TYR HH 1 1 18 4021 1 1 6 TYR N N -1.626 1.493 -0.275 1.00 . A A . 6 TYR N 1 1 18 4022 1 1 6 TYR O O 1.321 1.425 1.745 1.00 . A A . 6 TYR O 1 1 18 4023 1 1 6 TYR OH O -7.199 1.283 2.837 1.00 . A A . 6 TYR OH 1 1 18 4024 1 1 7 TRP C C 3.074 1.243 -0.857 1.00 . A A . 7 TRP C 1 1 18 4025 1 1 7 TRP CA C 2.200 0.052 -0.519 1.00 . A A . 7 TRP CA 1 1 18 4026 1 1 7 TRP CB C 2.201 -0.942 -1.675 1.00 . A A . 7 TRP CB 1 1 18 4027 1 1 7 TRP CD1 C -0.101 -2.073 -1.597 1.00 . A A . 7 TRP CD1 1 1 18 4028 1 1 7 TRP CD2 C 1.608 -3.389 -1.049 1.00 . A A . 7 TRP CD2 1 1 18 4029 1 1 7 TRP CE2 C 0.430 -4.148 -0.975 1.00 . A A . 7 TRP CE2 1 1 18 4030 1 1 7 TRP CE3 C 2.817 -3.981 -0.744 1.00 . A A . 7 TRP CE3 1 1 18 4031 1 1 7 TRP CG C 1.257 -2.082 -1.471 1.00 . A A . 7 TRP CG 1 1 18 4032 1 1 7 TRP CH2 C 1.648 -6.057 -0.302 1.00 . A A . 7 TRP CH2 1 1 18 4033 1 1 7 TRP CZ2 C 0.437 -5.491 -0.602 1.00 . A A . 7 TRP CZ2 1 1 18 4034 1 1 7 TRP CZ3 C 2.835 -5.310 -0.368 1.00 . A A . 7 TRP CZ3 1 1 18 4035 1 1 7 TRP H H 0.154 0.241 -0.871 1.00 . A A . 7 TRP H 1 1 18 4036 1 1 7 TRP HA H 2.598 -0.421 0.361 1.00 . A A . 7 TRP HA 1 1 18 4037 1 1 7 TRP HB2 H 1.916 -0.430 -2.581 1.00 . A A . 7 TRP HB2 1 1 18 4038 1 1 7 TRP HB3 H 3.195 -1.348 -1.792 1.00 . A A . 7 TRP HB3 1 1 18 4039 1 1 7 TRP HD1 H -0.676 -1.213 -1.895 1.00 . A A . 7 TRP HD1 1 1 18 4040 1 1 7 TRP HE1 H -1.551 -3.578 -1.366 1.00 . A A . 7 TRP HE1 1 1 18 4041 1 1 7 TRP HE3 H 3.727 -3.407 -0.789 1.00 . A A . 7 TRP HE3 1 1 18 4042 1 1 7 TRP HH2 H 1.702 -7.092 -0.003 1.00 . A A . 7 TRP HH2 1 1 18 4043 1 1 7 TRP HZ2 H -0.470 -6.074 -0.548 1.00 . A A . 7 TRP HZ2 1 1 18 4044 1 1 7 TRP HZ3 H 3.771 -5.790 -0.124 1.00 . A A . 7 TRP HZ3 1 1 18 4045 1 1 7 TRP N N 0.841 0.463 -0.232 1.00 . A A . 7 TRP N 1 1 18 4046 1 1 7 TRP NE1 N -0.606 -3.323 -1.325 1.00 . A A . 7 TRP NE1 1 1 18 4047 1 1 7 TRP O O 3.720 1.292 -1.904 1.00 . A A . 7 TRP O 1 1 18 4048 1 1 8 TRP C C 5.253 3.221 0.500 1.00 . A A . 8 TRP C 1 1 18 4049 1 1 8 TRP CA C 3.873 3.400 -0.113 1.00 . A A . 8 TRP CA 1 1 18 4050 1 1 8 TRP CB C 3.150 4.565 0.542 1.00 . A A . 8 TRP CB 1 1 18 4051 1 1 8 TRP CD1 C 4.088 6.477 -0.883 1.00 . A A . 8 TRP CD1 1 1 18 4052 1 1 8 TRP CD2 C 4.280 6.796 1.324 1.00 . A A . 8 TRP CD2 1 1 18 4053 1 1 8 TRP CE2 C 4.830 7.909 0.663 1.00 . A A . 8 TRP CE2 1 1 18 4054 1 1 8 TRP CE3 C 4.287 6.774 2.723 1.00 . A A . 8 TRP CE3 1 1 18 4055 1 1 8 TRP CG C 3.813 5.890 0.319 1.00 . A A . 8 TRP CG 1 1 18 4056 1 1 8 TRP CH2 C 5.373 8.939 2.715 1.00 . A A . 8 TRP CH2 1 1 18 4057 1 1 8 TRP CZ2 C 5.380 8.987 1.348 1.00 . A A . 8 TRP CZ2 1 1 18 4058 1 1 8 TRP CZ3 C 4.834 7.846 3.403 1.00 . A A . 8 TRP CZ3 1 1 18 4059 1 1 8 TRP H H 2.545 2.083 0.856 1.00 . A A . 8 TRP H 1 1 18 4060 1 1 8 TRP HA H 3.977 3.596 -1.170 1.00 . A A . 8 TRP HA 1 1 18 4061 1 1 8 TRP HB2 H 2.153 4.612 0.145 1.00 . A A . 8 TRP HB2 1 1 18 4062 1 1 8 TRP HB3 H 3.098 4.392 1.607 1.00 . A A . 8 TRP HB3 1 1 18 4063 1 1 8 TRP HD1 H 3.856 6.039 -1.841 1.00 . A A . 8 TRP HD1 1 1 18 4064 1 1 8 TRP HE1 H 5.000 8.300 -1.392 1.00 . A A . 8 TRP HE1 1 1 18 4065 1 1 8 TRP HE3 H 3.875 5.939 3.271 1.00 . A A . 8 TRP HE3 1 1 18 4066 1 1 8 TRP HH2 H 5.789 9.754 3.289 1.00 . A A . 8 TRP HH2 1 1 18 4067 1 1 8 TRP HZ2 H 5.802 9.839 0.834 1.00 . A A . 8 TRP HZ2 1 1 18 4068 1 1 8 TRP HZ3 H 4.847 7.845 4.483 1.00 . A A . 8 TRP HZ3 1 1 18 4069 1 1 8 TRP N N 3.085 2.195 0.049 1.00 . A A . 8 TRP N 1 1 18 4070 1 1 8 TRP NE1 N 4.702 7.691 -0.685 1.00 . A A . 8 TRP NE1 1 1 18 4071 1 1 8 TRP O O 6.238 3.780 0.015 1.00 . A A . 8 TRP O 1 1 18 4072 1 1 9 ARG C C 6.818 0.715 2.596 1.00 . A A . 9 ARG C 1 1 18 4073 1 1 9 ARG CA C 6.588 2.194 2.252 1.00 . A A . 9 ARG CA 1 1 18 4074 1 1 9 ARG CB C 6.661 3.024 3.531 1.00 . A A . 9 ARG CB 1 1 18 4075 1 1 9 ARG CD C 7.797 4.977 2.433 1.00 . A A . 9 ARG CD 1 1 18 4076 1 1 9 ARG CG C 6.622 4.523 3.286 1.00 . A A . 9 ARG CG 1 1 18 4077 1 1 9 ARG CZ C 8.694 7.059 1.467 1.00 . A A . 9 ARG CZ 1 1 18 4078 1 1 9 ARG H H 4.499 2.025 1.917 1.00 . A A . 9 ARG H 1 1 18 4079 1 1 9 ARG HA H 7.377 2.516 1.591 1.00 . A A . 9 ARG HA 1 1 18 4080 1 1 9 ARG HB2 H 5.825 2.761 4.162 1.00 . A A . 9 ARG HB2 1 1 18 4081 1 1 9 ARG HB3 H 7.579 2.788 4.048 1.00 . A A . 9 ARG HB3 1 1 18 4082 1 1 9 ARG HD2 H 8.714 4.724 2.943 1.00 . A A . 9 ARG HD2 1 1 18 4083 1 1 9 ARG HD3 H 7.759 4.460 1.486 1.00 . A A . 9 ARG HD3 1 1 18 4084 1 1 9 ARG HE H 7.041 6.934 2.578 1.00 . A A . 9 ARG HE 1 1 18 4085 1 1 9 ARG HG2 H 5.704 4.769 2.775 1.00 . A A . 9 ARG HG2 1 1 18 4086 1 1 9 ARG HG3 H 6.657 5.036 4.236 1.00 . A A . 9 ARG HG3 1 1 18 4087 1 1 9 ARG HH11 H 9.778 5.403 1.050 1.00 . A A . 9 ARG HH11 1 1 18 4088 1 1 9 ARG HH12 H 10.390 6.877 0.380 1.00 . A A . 9 ARG HH12 1 1 18 4089 1 1 9 ARG HH21 H 7.845 8.877 1.699 1.00 . A A . 9 ARG HH21 1 1 18 4090 1 1 9 ARG HH22 H 9.293 8.850 0.751 1.00 . A A . 9 ARG HH22 1 1 18 4091 1 1 9 ARG N N 5.320 2.439 1.574 1.00 . A A . 9 ARG N 1 1 18 4092 1 1 9 ARG NE N 7.775 6.417 2.187 1.00 . A A . 9 ARG NE 1 1 18 4093 1 1 9 ARG NH1 N 9.703 6.391 0.921 1.00 . A A . 9 ARG NH1 1 1 18 4094 1 1 9 ARG NH2 N 8.603 8.370 1.291 1.00 . A A . 9 ARG NH2 1 1 18 4095 1 1 9 ARG O O 7.668 0.416 3.435 1.00 . A A . 9 ARG O 1 1 18 4096 1 1 10 PRO C C 7.620 -2.187 1.746 1.00 . A A . 10 PRO C 1 1 18 4097 1 1 10 PRO CA C 6.291 -1.667 2.270 1.00 . A A . 10 PRO CA 1 1 18 4098 1 1 10 PRO CB C 5.140 -2.334 1.526 1.00 . A A . 10 PRO CB 1 1 18 4099 1 1 10 PRO CD C 5.050 -0.043 0.946 1.00 . A A . 10 PRO CD 1 1 18 4100 1 1 10 PRO CG C 4.896 -1.427 0.379 1.00 . A A . 10 PRO CG 1 1 18 4101 1 1 10 PRO HA H 6.217 -1.871 3.326 1.00 . A A . 10 PRO HA 1 1 18 4102 1 1 10 PRO HB2 H 5.434 -3.322 1.204 1.00 . A A . 10 PRO HB2 1 1 18 4103 1 1 10 PRO HB3 H 4.276 -2.396 2.173 1.00 . A A . 10 PRO HB3 1 1 18 4104 1 1 10 PRO HD2 H 5.365 0.657 0.183 1.00 . A A . 10 PRO HD2 1 1 18 4105 1 1 10 PRO HD3 H 4.124 0.280 1.400 1.00 . A A . 10 PRO HD3 1 1 18 4106 1 1 10 PRO HG2 H 5.630 -1.604 -0.395 1.00 . A A . 10 PRO HG2 1 1 18 4107 1 1 10 PRO HG3 H 3.901 -1.574 -0.002 1.00 . A A . 10 PRO HG3 1 1 18 4108 1 1 10 PRO N N 6.096 -0.240 1.974 1.00 . A A . 10 PRO N 1 1 18 4109 1 1 10 PRO O O 8.170 -3.156 2.268 1.00 . A A . 10 PRO O 1 1 18 4110 1 1 11 SER C C 10.587 -1.366 0.893 1.00 . A A . 11 SER C 1 1 18 4111 1 1 11 SER CA C 9.403 -1.933 0.111 1.00 . A A . 11 SER CA 1 1 18 4112 1 1 11 SER CB C 9.471 -1.469 -1.346 1.00 . A A . 11 SER CB 1 1 18 4113 1 1 11 SER H H 7.642 -0.771 0.335 1.00 . A A . 11 SER H 1 1 18 4114 1 1 11 SER HA H 9.456 -3.011 0.137 1.00 . A A . 11 SER HA 1 1 18 4115 1 1 11 SER HB2 H 9.384 -0.394 -1.383 1.00 . A A . 11 SER HB2 1 1 18 4116 1 1 11 SER HB3 H 10.420 -1.768 -1.770 1.00 . A A . 11 SER HB3 1 1 18 4117 1 1 11 SER HG H 8.562 -1.834 -3.041 1.00 . A A . 11 SER HG 1 1 18 4118 1 1 11 SER N N 8.133 -1.536 0.710 1.00 . A A . 11 SER N 1 1 18 4119 1 1 11 SER O O 11.630 -1.060 0.314 1.00 . A A . 11 SER O 1 1 18 4120 1 1 11 SER OG O 8.426 -2.040 -2.113 1.00 . A A . 11 SER OG 1 1 18 4121 1 1 12 ILE C C 12.372 -1.829 3.591 1.00 . A A . 12 ILE C 1 1 18 4122 1 1 12 ILE CA C 11.491 -0.703 3.053 1.00 . A A . 12 ILE CA 1 1 18 4123 1 1 12 ILE CB C 10.921 0.115 4.233 1.00 . A A . 12 ILE CB 1 1 18 4124 1 1 12 ILE CD1 C 13.017 1.553 4.359 1.00 . A A . 12 ILE CD1 1 1 18 4125 1 1 12 ILE CG1 C 12.054 0.659 5.107 1.00 . A A . 12 ILE CG1 1 1 18 4126 1 1 12 ILE CG2 C 9.962 -0.732 5.059 1.00 . A A . 12 ILE CG2 1 1 18 4127 1 1 12 ILE H H 9.576 -1.491 2.620 1.00 . A A . 12 ILE H 1 1 18 4128 1 1 12 ILE HA H 12.098 -0.044 2.448 1.00 . A A . 12 ILE HA 1 1 18 4129 1 1 12 ILE HB H 10.363 0.945 3.825 1.00 . A A . 12 ILE HB 1 1 18 4130 1 1 12 ILE HD11 H 12.544 1.922 3.460 1.00 . A A . 12 ILE HD11 1 1 18 4131 1 1 12 ILE HD12 H 13.901 0.992 4.094 1.00 . A A . 12 ILE HD12 1 1 18 4132 1 1 12 ILE HD13 H 13.297 2.387 4.987 1.00 . A A . 12 ILE HD13 1 1 18 4133 1 1 12 ILE HG12 H 11.632 1.232 5.918 1.00 . A A . 12 ILE HG12 1 1 18 4134 1 1 12 ILE HG13 H 12.617 -0.170 5.512 1.00 . A A . 12 ILE HG13 1 1 18 4135 1 1 12 ILE HG21 H 9.862 -1.709 4.607 1.00 . A A . 12 ILE HG21 1 1 18 4136 1 1 12 ILE HG22 H 8.996 -0.252 5.094 1.00 . A A . 12 ILE HG22 1 1 18 4137 1 1 12 ILE HG23 H 10.348 -0.838 6.063 1.00 . A A . 12 ILE HG23 1 1 18 4138 1 1 12 ILE N N 10.427 -1.230 2.208 1.00 . A A . 12 ILE N 1 1 18 4139 1 1 12 ILE O O 13.266 -2.285 2.846 1.00 . A A . 12 ILE O 1 1 18 4140 1 1 12 ILE OXT O 12.165 -2.246 4.750 1.00 . A A . 12 ILE OXT 1 1 stop_ save_
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