NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
650048 |
6nm3   |
30558 | cing | 4-filtered-FRED | STAR | entry | full | 123 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6nm3
# This FRED archive file contains, for PDB entry <6nm3>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.PDB_coordinate_file_version .
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_6nm3
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 6nm3
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 1275.57
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 $WW295_peptide A . 1 1
stop_
save_
save_WW295_peptide
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "WW295 peptide"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code RKIWWWWLX
_Entity.Number_of_monomers 9
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 ARG . 1 1
2 LYS . 1 1
3 ILE . 1 1
4 TRP . 1 1
5 TRP . 1 1
6 TRP . 1 1
7 TRP . 1 1
8 LEU . 1 1
9 NH2 $NH2 1 1
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
ARG 1 1 1 1
LYS 2 2 1 1
ILE 3 3 1 1
TRP 4 4 1 1
TRP 5 5 1 1
TRP 6 6 1 1
TRP 7 7 1 1
LEU 8 8 1 1
NH2 9 9 1 1
stop_
save_
save_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID NH2
_Chem_comp.Type non-polymer
save_
save_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
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 ARG QB . 1 . HB# 1 1
1 1 2 1 1 1 ARG QD . 1 . HD# 1 1
2 1 1 1 1 1 ARG QB . 1 . HB# 1 1
2 1 2 1 1 4 TRP HE1 . 4 . HE1 1 1
3 1 1 1 1 1 ARG QB . 1 . HB# 1 1
3 1 2 1 1 5 TRP HE1 . 5 . HE1 1 1
4 1 1 1 1 1 ARG QB . 1 . HB# 1 1
4 1 2 1 1 6 TRP HE1 . 6 . HE1 1 1
5 1 1 1 1 2 LYS HA . 2 . HA 1 1
5 1 2 1 1 2 LYS QD . 2 . HD# 1 1
6 1 1 1 1 2 LYS HA . 2 . HA 1 1
6 1 2 1 1 3 ILE H . 3 . HN 1 1
7 1 1 1 1 2 LYS HA . 2 . HA 1 1
7 1 2 1 1 3 ILE HB . 3 . HB 1 1
8 1 1 1 1 2 LYS QD . 2 . HD# 1 1
8 1 2 1 1 4 TRP HE1 . 4 . HE1 1 1
9 1 1 1 1 2 LYS QD . 2 . HD# 1 1
9 1 2 1 1 4 TRP HZ2 . 4 . HZ2 1 1
10 1 1 1 1 2 LYS QD . 2 . HD# 1 1
10 1 2 1 1 5 TRP HD1 . 5 . HD1 1 1
11 1 1 1 1 2 LYS QD . 2 . HD# 1 1
11 1 2 1 1 5 TRP HE1 . 5 . HE1 1 1
12 1 1 1 1 2 LYS QD . 2 . HD# 1 1
12 1 2 1 1 6 TRP HE1 . 6 . HE1 1 1
13 1 1 1 1 2 LYS QD . 2 . HD# 1 1
13 1 2 1 1 7 TRP HE1 . 7 . HE1 1 1
14 1 1 1 1 2 LYS QE . 2 . HE# 1 1
14 1 2 1 1 4 TRP HE1 . 4 . HE1 1 1
15 1 1 1 1 2 LYS QG . 2 . HG# 1 1
15 1 2 1 1 4 TRP HE1 . 4 . HE1 1 1
16 1 1 1 1 2 LYS QG . 2 . HG# 1 1
16 1 2 1 1 4 TRP HZ2 . 4 . HZ2 1 1
17 1 1 1 1 2 LYS QG . 2 . HG# 1 1
17 1 2 1 1 5 TRP HE1 . 5 . HE1 1 1
18 1 1 1 1 2 LYS QG . 2 . HG# 1 1
18 1 2 1 1 6 TRP HE1 . 6 . HE1 1 1
19 1 1 1 1 3 ILE H . 3 . HN 1 1
19 1 2 1 1 3 ILE HB . 3 . HB 1 1
20 1 1 1 1 3 ILE H . 3 . HN 1 1
20 1 2 1 1 3 ILE MD . 3 . HD1# 1 1
21 1 1 1 1 3 ILE H . 3 . HN 1 1
21 1 2 1 1 3 ILE HG12 . 3 . HG12 1 1
22 1 1 1 1 3 ILE H . 3 . HN 1 1
22 1 2 1 1 3 ILE HG13 . 3 . HG11 1 1
23 1 1 1 1 3 ILE H . 3 . HN 1 1
23 1 2 1 1 3 ILE MG . 3 . HG2# 1 1
24 1 1 1 1 3 ILE H . 3 . HN 1 1
24 1 2 1 1 4 TRP H . 4 . HN 1 1
25 1 1 1 1 3 ILE HA . 3 . HA 1 1
25 1 2 1 1 3 ILE HG12 . 3 . HG12 1 1
26 1 1 1 1 3 ILE HA . 3 . HA 1 1
26 1 2 1 1 3 ILE HG13 . 3 . HG11 1 1
27 1 1 1 1 3 ILE HA . 3 . HA 1 1
27 1 2 1 1 4 TRP H . 4 . HN 1 1
28 1 1 1 1 3 ILE HB . 3 . HB 1 1
28 1 2 1 1 4 TRP H . 4 . HN 1 1
29 1 1 1 1 3 ILE MD . 3 . HD1# 1 1
29 1 2 1 1 5 TRP HZ2 . 5 . HZ2 1 1
30 1 1 1 1 3 ILE MD . 3 . HD1# 1 1
30 1 2 1 1 6 TRP HZ2 . 6 . HZ2 1 1
31 1 1 1 1 3 ILE QG . 3 . HG1# 1 1
31 1 2 1 1 5 TRP HZ2 . 5 . HZ2 1 1
32 1 1 1 1 3 ILE QG . 3 . HG1# 1 1
32 1 2 1 1 6 TRP HE1 . 6 . HE1 1 1
33 1 1 1 1 3 ILE QG . 3 . HG1# 1 1
33 1 2 1 1 7 TRP HE1 . 7 . HE1 1 1
34 1 1 1 1 3 ILE HG12 . 3 . HG12 1 1
34 1 2 1 1 4 TRP H . 4 . HN 1 1
35 1 1 1 1 3 ILE HG12 . 3 . HG12 1 1
35 1 2 1 1 4 TRP HE1 . 4 . HE1 1 1
36 1 1 1 1 3 ILE HG12 . 3 . HG12 1 1
36 1 2 1 1 5 TRP HE1 . 5 . HE1 1 1
37 1 1 1 1 3 ILE HG13 . 3 . HG11 1 1
37 1 2 1 1 4 TRP H . 4 . HN 1 1
38 1 1 1 1 3 ILE MG . 3 . HG2# 1 1
38 1 2 1 1 4 TRP H . 4 . HN 1 1
39 1 1 1 1 3 ILE MG . 3 . HG2# 1 1
39 1 2 1 1 4 TRP HD1 . 4 . HD1 1 1
40 1 1 1 1 3 ILE MG . 3 . HG2# 1 1
40 1 2 1 1 4 TRP HE1 . 4 . HE1 1 1
41 1 1 1 1 3 ILE MG . 3 . HG2# 1 1
41 1 2 1 1 5 TRP H . 5 . HN 1 1
42 1 1 1 1 3 ILE MG . 3 . HG2# 1 1
42 1 2 1 1 5 TRP HD1 . 5 . HD1 1 1
43 1 1 1 1 3 ILE MG . 3 . HG2# 1 1
43 1 2 1 1 5 TRP HE1 . 5 . HE1 1 1
44 1 1 1 1 3 ILE MG . 3 . HG2# 1 1
44 1 2 1 1 5 TRP HZ2 . 5 . HZ2 1 1
45 1 1 1 1 3 ILE MG . 3 . HG2# 1 1
45 1 2 1 1 6 TRP HD1 . 6 . HD1 1 1
46 1 1 1 1 3 ILE MG . 3 . HG2# 1 1
46 1 2 1 1 6 TRP HE1 . 6 . HE1 1 1
47 1 1 1 1 3 ILE MG . 3 . HG2# 1 1
47 1 2 1 1 6 TRP HZ2 . 6 . HZ2 1 1
48 1 1 1 1 3 ILE MG . 3 . HG2# 1 1
48 1 2 1 1 7 TRP HE1 . 7 . HE1 1 1
49 1 1 1 1 4 TRP H . 4 . HN 1 1
49 1 2 1 1 4 TRP HB2 . 4 . HB2 1 1
50 1 1 1 1 4 TRP H . 4 . HN 1 1
50 1 2 1 1 4 TRP HB3 . 4 . HB1 1 1
51 1 1 1 1 4 TRP H . 4 . HN 1 1
51 1 2 1 1 4 TRP HD1 . 4 . HD1 1 1
52 1 1 1 1 4 TRP H . 4 . HN 1 1
52 1 2 1 1 4 TRP HE3 . 4 . HE3 1 1
53 1 1 1 1 4 TRP H . 4 . HN 1 1
53 1 2 1 1 5 TRP H . 5 . HN 1 1
54 1 1 1 1 4 TRP HA . 4 . HA 1 1
54 1 2 1 1 4 TRP HZ3 . 4 . HZ3 1 1
55 1 1 1 1 4 TRP HA . 4 . HA 1 1
55 1 2 1 1 5 TRP H . 5 . HN 1 1
56 1 1 1 1 4 TRP HA . 4 . HA 1 1
56 1 2 1 1 6 TRP HE1 . 6 . HE1 1 1
57 1 1 1 1 4 TRP HB2 . 4 . HB2 1 1
57 1 2 1 1 4 TRP HD1 . 4 . HD1 1 1
58 1 1 1 1 4 TRP HB2 . 4 . HB2 1 1
58 1 2 1 1 4 TRP HE1 . 4 . HE1 1 1
59 1 1 1 1 4 TRP HB2 . 4 . HB2 1 1
59 1 2 1 1 5 TRP H . 5 . HN 1 1
60 1 1 1 1 4 TRP HB2 . 4 . HB2 1 1
60 1 2 1 1 5 TRP HE3 . 5 . HE3 1 1
61 1 1 1 1 4 TRP HB3 . 4 . HB1 1 1
61 1 2 1 1 4 TRP HD1 . 4 . HD1 1 1
62 1 1 1 1 4 TRP HB3 . 4 . HB1 1 1
62 1 2 1 1 5 TRP H . 5 . HN 1 1
63 1 1 1 1 4 TRP HE1 . 4 . HE1 1 1
63 1 2 1 1 5 TRP HD1 . 5 . HD1 1 1
64 1 1 1 1 4 TRP HE3 . 4 . HE3 1 1
64 1 2 1 1 8 LEU MD1 . 8 . HD1# 1 1
65 1 1 1 1 4 TRP HZ2 . 4 . HZ2 1 1
65 1 2 1 1 8 LEU MD2 . 8 . HD2# 1 1
66 1 1 1 1 4 TRP HZ3 . 4 . HZ3 1 1
66 1 2 1 1 8 LEU MD1 . 8 . HD1# 1 1
67 1 1 1 1 5 TRP H . 5 . HN 1 1
67 1 2 1 1 5 TRP HB3 . 5 . HB1 1 1
68 1 1 1 1 5 TRP HA . 5 . HA 1 1
68 1 2 1 1 5 TRP HD1 . 5 . HD1 1 1
69 1 1 1 1 5 TRP HA . 5 . HA 1 1
69 1 2 1 1 5 TRP HE3 . 5 . HE3 1 1
70 1 1 1 1 5 TRP HA . 5 . HA 1 1
70 1 2 1 1 6 TRP H . 6 . HN 1 1
71 1 1 1 1 5 TRP HA . 5 . HA 1 1
71 1 2 1 1 7 TRP HE1 . 7 . HE1 1 1
72 1 1 1 1 5 TRP HB2 . 5 . HB2 1 1
72 1 2 1 1 5 TRP HD1 . 5 . HD1 1 1
73 1 1 1 1 5 TRP HB2 . 5 . HB2 1 1
73 1 2 1 1 5 TRP HE3 . 5 . HE3 1 1
74 1 1 1 1 5 TRP HB2 . 5 . HB2 1 1
74 1 2 1 1 6 TRP H . 6 . HN 1 1
75 1 1 1 1 5 TRP HB2 . 5 . HB2 1 1
75 1 2 1 1 7 TRP HE1 . 7 . HE1 1 1
76 1 1 1 1 5 TRP HB3 . 5 . HB1 1 1
76 1 2 1 1 5 TRP HE3 . 5 . HE3 1 1
77 1 1 1 1 5 TRP HB3 . 5 . HB1 1 1
77 1 2 1 1 6 TRP H . 6 . HN 1 1
78 1 1 1 1 5 TRP HD1 . 5 . HD1 1 1
78 1 2 1 1 8 LEU MD1 . 8 . HD1# 1 1
79 1 1 1 1 5 TRP HE1 . 5 . HE1 1 1
79 1 2 1 1 6 TRP QB . 6 . HB# 1 1
80 1 1 1 1 5 TRP HE3 . 5 . HE3 1 1
80 1 2 1 1 8 LEU MD1 . 8 . HD1# 1 1
81 1 1 1 1 6 TRP HA . 6 . HA 1 1
81 1 2 1 1 6 TRP HD1 . 6 . HD1 1 1
82 1 1 1 1 6 TRP HA . 6 . HA 1 1
82 1 2 1 1 6 TRP HE1 . 6 . HE1 1 1
83 1 1 1 1 6 TRP HA . 6 . HA 1 1
83 1 2 1 1 7 TRP H . 7 . HN 1 1
84 1 1 1 1 6 TRP HB2 . 6 . HB2 1 1
84 1 2 1 1 6 TRP HE1 . 6 . HE1 1 1
85 1 1 1 1 6 TRP HB2 . 6 . HB2 1 1
85 1 2 1 1 7 TRP H . 7 . HN 1 1
86 1 1 1 1 6 TRP HB3 . 6 . HB1 1 1
86 1 2 1 1 6 TRP HE1 . 6 . HE1 1 1
87 1 1 1 1 6 TRP HE1 . 6 . HE1 1 1
87 1 2 1 1 7 TRP HD1 . 7 . HD1 1 1
88 1 1 1 1 6 TRP HE3 . 6 . HE3 1 1
88 1 2 1 1 8 LEU MD2 . 8 . HD2# 1 1
89 1 1 1 1 7 TRP H . 7 . HN 1 1
89 1 2 1 1 7 TRP HB2 . 7 . HB2 1 1
90 1 1 1 1 7 TRP H . 7 . HN 1 1
90 1 2 1 1 7 TRP HB3 . 7 . HB1 1 1
91 1 1 1 1 7 TRP HA . 7 . HA 1 1
91 1 2 1 1 7 TRP HD1 . 7 . HD1 1 1
92 1 1 1 1 7 TRP HA . 7 . HA 1 1
92 1 2 1 1 7 TRP HE3 . 7 . HE3 1 1
93 1 1 1 1 7 TRP HA . 7 . HA 1 1
93 1 2 1 1 8 LEU H . 8 . HN 1 1
94 1 1 1 1 7 TRP HB2 . 7 . HB2 1 1
94 1 2 1 1 7 TRP HD1 . 7 . HD1 1 1
95 1 1 1 1 7 TRP HB2 . 7 . HB2 1 1
95 1 2 1 1 7 TRP HE1 . 7 . HE1 1 1
96 1 1 1 1 7 TRP HB2 . 7 . HB2 1 1
96 1 2 1 1 7 TRP HE3 . 7 . HE3 1 1
97 1 1 1 1 7 TRP HB3 . 7 . HB1 1 1
97 1 2 1 1 7 TRP HD1 . 7 . HD1 1 1
98 1 1 1 1 7 TRP HB3 . 7 . HB1 1 1
98 1 2 1 1 7 TRP HE1 . 7 . HE1 1 1
99 1 1 1 1 7 TRP HD1 . 7 . HD1 1 1
99 1 2 1 1 8 LEU MD2 . 8 . HD2# 1 1
100 1 1 1 1 7 TRP HD1 . 7 . HD1 1 1
100 1 2 1 1 8 LEU HG . 8 . HG 1 1
101 1 1 1 1 7 TRP HE1 . 7 . HE1 1 1
101 1 2 1 1 8 LEU MD2 . 8 . HD2# 1 1
102 1 1 1 1 7 TRP HE1 . 7 . HE1 1 1
102 1 2 1 1 8 LEU HG . 8 . HG 1 1
103 1 1 1 1 7 TRP HE3 . 7 . HE3 1 1
103 1 2 1 1 8 LEU HA . 8 . HA 1 1
104 1 1 1 1 7 TRP HE3 . 7 . HE3 1 1
104 1 2 1 1 8 LEU MD2 . 8 . HD2# 1 1
105 1 1 1 1 7 TRP HE3 . 7 . HE3 1 1
105 1 2 1 1 8 LEU HG . 8 . HG 1 1
106 1 1 1 1 7 TRP HH2 . 7 . HH2 1 1
106 1 2 1 1 8 LEU HA . 8 . HA 1 1
107 1 1 1 1 7 TRP HH2 . 7 . HH2 1 1
107 1 2 1 1 8 LEU MD2 . 8 . HD2# 1 1
108 1 1 1 1 7 TRP HZ3 . 7 . HZ3 1 1
108 1 2 1 1 8 LEU MD2 . 8 . HD2# 1 1
109 1 1 1 1 8 LEU H . 8 . HN 1 1
109 1 2 1 1 8 LEU QB . 8 . HB# 1 1
110 1 1 1 1 8 LEU H . 8 . HN 1 1
110 1 2 1 1 8 LEU MD1 . 8 . HD1# 1 1
111 1 1 1 1 8 LEU H . 8 . HN 1 1
111 1 2 1 1 8 LEU HG . 8 . HG 1 1
112 1 1 1 1 8 LEU HA . 8 . HA 1 1
112 1 2 1 1 8 LEU MD2 . 8 . HD2# 1 1
113 1 1 1 1 8 LEU HA . 8 . HA 1 1
113 1 2 1 1 8 LEU HG . 8 . HG 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 . . . . . 3.0 1.8 4.3 1 1
2 1 . . . . . 4.0 1.8 5.5 1 1
3 1 . . . . . 4.0 1.8 6.5 1 1
4 1 . . . . . 4.0 1.8 7.5 1 1
5 1 . . . . . 3.0 1.8 4.8 1 1
6 1 . . . . . 3.0 2.0 3.8 1 1
7 1 . . . . . 4.0 1.8 6.0 1 1
8 1 . . . . . 4.0 1.8 6.5 1 1
9 1 . . . . . 4.0 1.8 6.5 1 1
10 1 . . . . . 4.0 1.8 7.0 1 1
11 1 . . . . . 4.0 1.8 6.5 1 1
12 1 . . . . . 4.0 1.8 6.5 1 1
13 1 . . . . . 4.0 1.8 7.0 1 1
14 1 . . . . . 4.0 1.8 6.5 1 1
15 1 . . . . . 4.0 1.8 6.5 1 1
16 1 . . . . . 4.0 1.8 7.0 1 1
17 1 . . . . . 4.0 1.8 6.5 1 1
18 1 . . . . . 4.0 1.8 6.5 1 1
19 1 . . . . . 3.0 1.8 3.8 1 1
20 1 . . . . . 4.0 1.8 6.5 1 1
21 1 . . . . . 4.0 1.8 5.0 1 1
22 1 . . . . . 4.0 1.8 5.0 1 1
23 1 . . . . . 4.0 1.8 6.5 1 1
24 1 . . . . . 4.0 1.8 5.0 1 1
25 1 . . . . . 4.0 1.8 5.0 1 1
26 1 . . . . . 4.0 1.8 5.0 1 1
27 1 . . . . . 3.0 1.8 3.8 1 1
28 1 . . . . . 4.0 1.8 5.0 1 1
29 1 . . . . . 4.0 1.8 8.0 1 1
30 1 . . . . . 4.0 1.8 6.5 1 1
31 1 . . . . . 4.0 1.8 7.0 1 1
32 1 . . . . . 4.0 1.8 7.0 1 1
33 1 . . . . . 4.0 1.8 7.0 1 1
34 1 . . . . . 4.0 1.8 6.0 1 1
35 1 . . . . . 4.0 1.8 5.0 1 1
36 1 . . . . . 4.0 1.8 5.0 1 1
37 1 . . . . . 4.0 1.8 5.0 1 1
38 1 . . . . . 4.0 1.8 6.5 1 1
39 1 . . . . . 4.0 1.8 6.5 1 1
40 1 . . . . . 4.0 1.8 6.5 1 1
41 1 . . . . . 4.0 1.8 6.5 1 1
42 1 . . . . . 4.0 1.8 6.5 1 1
43 1 . . . . . 4.0 1.8 6.5 1 1
44 1 . . . . . 4.0 1.8 6.5 1 1
45 1 . . . . . 4.0 1.8 7.5 1 1
46 1 . . . . . 4.0 1.8 6.5 1 1
47 1 . . . . . 4.0 1.8 6.5 1 1
48 1 . . . . . 4.0 1.8 6.5 1 1
49 1 . . . . . 4.0 1.8 5.0 1 1
50 1 . . . . . 4.0 1.8 5.0 1 1
51 1 . . . . . 4.0 1.8 5.0 1 1
52 1 . . . . . 4.0 1.8 6.0 1 1
53 1 . . . . . 3.0 1.8 4.3 1 1
54 1 . . . . . 4.0 1.8 5.0 1 1
55 1 . . . . . 4.0 1.8 5.0 1 1
56 1 . . . . . 4.0 1.8 6.0 1 1
57 1 . . . . . 2.5 1.8 2.8 1 1
58 1 . . . . . 4.0 1.8 5.0 1 1
59 1 . . . . . 4.0 1.8 5.0 1 1
60 1 . . . . . 4.0 1.8 5.0 1 1
61 1 . . . . . 3.0 1.8 3.8 1 1
62 1 . . . . . 4.0 1.8 5.0 1 1
63 1 . . . . . 4.0 1.8 7.0 1 1
64 1 . . . . . 4.0 1.8 6.5 1 1
65 1 . . . . . 4.0 1.8 7.5 1 1
66 1 . . . . . 4.0 1.8 6.5 1 1
67 1 . . . . . 4.0 1.8 5.0 1 1
68 1 . . . . . 4.0 1.8 5.0 1 1
69 1 . . . . . 4.0 1.8 5.0 1 1
70 1 . . . . . 3.0 1.8 3.5 1 1
71 1 . . . . . 4.0 1.8 6.0 1 1
72 1 . . . . . 3.0 1.8 3.8 1 1
73 1 . . . . . 4.0 1.8 5.0 1 1
74 1 . . . . . 4.0 1.8 5.0 1 1
75 1 . . . . . 4.0 1.8 6.0 1 1
76 1 . . . . . 4.0 1.8 5.0 1 1
77 1 . . . . . 3.0 1.8 3.5 1 1
78 1 . . . . . 4.0 1.8 5.5 1 1
79 1 . . . . . 4.0 1.8 7.0 1 1
80 1 . . . . . 4.0 1.8 7.5 1 1
81 1 . . . . . 4.0 1.8 5.0 1 1
82 1 . . . . . 4.0 1.8 6.0 1 1
83 1 . . . . . 4.0 1.8 5.0 1 1
84 1 . . . . . 4.0 1.8 5.0 1 1
85 1 . . . . . 4.0 1.8 6.0 1 1
86 1 . . . . . 4.0 1.8 5.0 1 1
87 1 . . . . . 4.0 1.8 6.0 1 1
88 1 . . . . . 4.0 1.8 7.0 1 1
89 1 . . . . . 4.0 1.8 5.0 1 1
90 1 . . . . . 4.0 1.8 5.0 1 1
91 1 . . . . . 4.0 1.8 5.0 1 1
92 1 . . . . . 4.0 1.8 7.0 1 1
93 1 . . . . . 4.0 1.8 5.0 1 1
94 1 . . . . . 3.0 1.8 3.8 1 1
95 1 . . . . . 4.0 1.8 5.0 1 1
96 1 . . . . . 4.0 1.8 5.0 1 1
97 1 . . . . . 3.0 1.8 3.8 1 1
98 1 . . . . . 4.0 1.8 5.0 1 1
99 1 . . . . . 4.0 1.8 6.5 1 1
100 1 . . . . . 4.0 1.8 5.0 1 1
101 1 . . . . . 4.0 1.8 6.5 1 1
102 1 . . . . . 4.0 1.8 6.0 1 1
103 1 . . . . . 4.0 1.8 5.0 1 1
104 1 . . . . . 4.0 1.8 5.5 1 1
105 1 . . . . . 4.0 1.8 5.0 1 1
106 1 . . . . . 4.0 1.8 5.0 1 1
107 1 . . . . . 4.0 1.8 5.5 1 1
108 1 . . . . . 4.0 1.8 5.5 1 1
109 1 . . . . . 3.0 1.8 4.8 1 1
110 1 . . . . . 4.0 1.8 5.5 1 1
111 1 . . . . . 3.0 1.8 3.5 1 1
112 1 . . . . . 4.0 1.8 5.5 1 1
113 1 . . . . . 4.0 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 LYS C 1 1 3 ILE N 1 1 3 ILE CA 1 1 3 ILE C -118.99999 -19.0 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1
2 . 1 1 3 ILE N 1 1 3 ILE CA 1 1 3 ILE C 1 1 4 TRP N -80.0 20.0 . 3 . N . 3 . CA . 3 . C . 4 . N 1 1
3 . 1 1 3 ILE C 1 1 4 TRP N 1 1 4 TRP CA 1 1 4 TRP C -118.99999 -39.0 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1
4 . 1 1 4 TRP N 1 1 4 TRP CA 1 1 4 TRP C 1 1 5 TRP N -72.0 28.0 . 4 . N . 4 . CA . 4 . C . 5 . N 1 1
5 . 1 1 4 TRP C 1 1 5 TRP N 1 1 5 TRP CA 1 1 5 TRP C -138.0 -58.0 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1
6 . 1 1 5 TRP N 1 1 5 TRP CA 1 1 5 TRP C 1 1 6 TRP N -59.0 21.0 . 5 . N . 5 . CA . 5 . C . 6 . N 1 1
7 . 1 1 5 TRP C 1 1 6 TRP N 1 1 6 TRP CA 1 1 6 TRP C -110.0 -30.0 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1
8 . 1 1 6 TRP N 1 1 6 TRP CA 1 1 6 TRP C 1 1 7 TRP N -66.99999 13.0 . 6 . N . 6 . CA . 6 . C . 7 . N 1 1
9 . 1 1 6 TRP C 1 1 7 TRP N 1 1 7 TRP CA 1 1 7 TRP C -116.99999 -37.0 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1
10 . 1 1 7 TRP N 1 1 7 TRP CA 1 1 7 TRP C 1 1 8 LEU N -73.0 7.0 . 7 . N . 7 . CA . 7 . C . 8 . N 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 ARG C C -6.015 0.545 -0.161 1.00 . A A . 1 ARG C 1 1
1 2 1 1 1 ARG CA C -6.211 1.809 0.672 1.00 . A A . 1 ARG CA 1 1
1 3 1 1 1 ARG CB C -4.868 2.289 1.230 1.00 . A A . 1 ARG CB 1 1
1 4 1 1 1 ARG CD C -5.445 4.723 0.971 1.00 . A A . 1 ARG CD 1 1
1 5 1 1 1 ARG CG C -5.061 3.618 1.969 1.00 . A A . 1 ARG CG 1 1
1 6 1 1 1 ARG CZ C -4.514 6.409 2.483 1.00 . A A . 1 ARG CZ 1 1
1 7 1 1 1 ARG H1 H -6.787 0.701 2.337 1.00 . A A . 1 ARG H1 1 1
1 8 1 1 1 ARG H2 H -8.086 1.303 1.423 1.00 . A A . 1 ARG H2 1 1
1 9 1 1 1 ARG H3 H -7.195 2.344 2.428 1.00 . A A . 1 ARG H3 1 1
1 10 1 1 1 ARG HA H -6.638 2.582 0.051 1.00 . A A . 1 ARG HA 1 1
1 11 1 1 1 ARG HB2 H -4.479 1.549 1.914 1.00 . A A . 1 ARG HB2 1 1
1 12 1 1 1 ARG HB3 H -4.172 2.429 0.420 1.00 . A A . 1 ARG HB3 1 1
1 13 1 1 1 ARG HD2 H -5.209 4.403 -0.030 1.00 . A A . 1 ARG HD2 1 1
1 14 1 1 1 ARG HD3 H -6.510 4.912 1.039 1.00 . A A . 1 ARG HD3 1 1
1 15 1 1 1 ARG HE H -4.306 6.446 0.495 1.00 . A A . 1 ARG HE 1 1
1 16 1 1 1 ARG HG2 H -5.844 3.505 2.705 1.00 . A A . 1 ARG HG2 1 1
1 17 1 1 1 ARG HG3 H -4.139 3.886 2.463 1.00 . A A . 1 ARG HG3 1 1
1 18 1 1 1 ARG HH11 H -3.390 7.960 1.900 1.00 . A A . 1 ARG HH11 1 1
1 19 1 1 1 ARG HH12 H -3.657 7.828 3.606 1.00 . A A . 1 ARG HH12 1 1
1 20 1 1 1 ARG HH21 H -5.629 4.993 3.353 1.00 . A A . 1 ARG HH21 1 1
1 21 1 1 1 ARG HH22 H -4.918 6.150 4.426 1.00 . A A . 1 ARG HH22 1 1
1 22 1 1 1 ARG N N -7.140 1.517 1.800 1.00 . A A . 1 ARG N 1 1
1 23 1 1 1 ARG NE N -4.699 5.953 1.245 1.00 . A A . 1 ARG NE 1 1
1 24 1 1 1 ARG NH1 N -3.798 7.483 2.678 1.00 . A A . 1 ARG NH1 1 1
1 25 1 1 1 ARG NH2 N -5.064 5.803 3.499 1.00 . A A . 1 ARG NH2 1 1
1 26 1 1 1 ARG O O -6.921 0.119 -0.877 1.00 . A A . 1 ARG O 1 1
1 27 1 1 2 LYS C C -3.227 -1.899 -0.378 1.00 . A A . 2 LYS C 1 1
1 28 1 1 2 LYS CA C -4.540 -1.269 -0.822 1.00 . A A . 2 LYS CA 1 1
1 29 1 1 2 LYS CB C -4.493 -0.950 -2.317 1.00 . A A . 2 LYS CB 1 1
1 30 1 1 2 LYS CD C -3.600 -2.153 -4.342 1.00 . A A . 2 LYS CD 1 1
1 31 1 1 2 LYS CE C -4.353 -1.505 -5.506 1.00 . A A . 2 LYS CE 1 1
1 32 1 1 2 LYS CG C -4.523 -2.259 -3.122 1.00 . A A . 2 LYS CG 1 1
1 33 1 1 2 LYS H H -4.142 0.327 0.520 1.00 . A A . 2 LYS H 1 1
1 34 1 1 2 LYS HA H -5.321 -1.984 -0.651 1.00 . A A . 2 LYS HA 1 1
1 35 1 1 2 LYS HB2 H -5.351 -0.345 -2.579 1.00 . A A . 2 LYS HB2 1 1
1 36 1 1 2 LYS HB3 H -3.591 -0.404 -2.538 1.00 . A A . 2 LYS HB3 1 1
1 37 1 1 2 LYS HD2 H -2.739 -1.554 -4.091 1.00 . A A . 2 LYS HD2 1 1
1 38 1 1 2 LYS HD3 H -3.275 -3.141 -4.631 1.00 . A A . 2 LYS HD3 1 1
1 39 1 1 2 LYS HE2 H -4.817 -0.590 -5.169 1.00 . A A . 2 LYS HE2 1 1
1 40 1 1 2 LYS HE3 H -3.660 -1.285 -6.305 1.00 . A A . 2 LYS HE3 1 1
1 41 1 1 2 LYS HG2 H -4.193 -3.075 -2.495 1.00 . A A . 2 LYS HG2 1 1
1 42 1 1 2 LYS HG3 H -5.532 -2.452 -3.454 1.00 . A A . 2 LYS HG3 1 1
1 43 1 1 2 LYS HZ1 H -5.420 -2.423 -7.041 1.00 . A A . 2 LYS HZ1 1 1
1 44 1 1 2 LYS HZ2 H -6.330 -2.148 -5.632 1.00 . A A . 2 LYS HZ2 1 1
1 45 1 1 2 LYS HZ3 H -5.188 -3.405 -5.678 1.00 . A A . 2 LYS HZ3 1 1
1 46 1 1 2 LYS N N -4.830 -0.053 -0.066 1.00 . A A . 2 LYS N 1 1
1 47 1 1 2 LYS NZ N -5.402 -2.441 -6.002 1.00 . A A . 2 LYS NZ 1 1
1 48 1 1 2 LYS O O -3.217 -2.789 0.472 1.00 . A A . 2 LYS O 1 1
1 49 1 1 3 ILE C C 0.095 -0.849 -0.118 1.00 . A A . 3 ILE C 1 1
1 50 1 1 3 ILE CA C -0.806 -1.974 -0.631 1.00 . A A . 3 ILE CA 1 1
1 51 1 1 3 ILE CB C -0.206 -2.609 -1.877 1.00 . A A . 3 ILE CB 1 1
1 52 1 1 3 ILE CD1 C 0.018 -2.252 -4.351 1.00 . A A . 3 ILE CD1 1 1
1 53 1 1 3 ILE CG1 C -0.116 -1.558 -2.995 1.00 . A A . 3 ILE CG1 1 1
1 54 1 1 3 ILE CG2 C -1.097 -3.771 -2.325 1.00 . A A . 3 ILE CG2 1 1
1 55 1 1 3 ILE H H -2.202 -0.743 -1.641 1.00 . A A . 3 ILE H 1 1
1 56 1 1 3 ILE HA H -0.901 -2.732 0.130 1.00 . A A . 3 ILE HA 1 1
1 57 1 1 3 ILE HB H 0.769 -2.980 -1.645 1.00 . A A . 3 ILE HB 1 1
1 58 1 1 3 ILE HD11 H 0.293 -1.526 -5.100 1.00 . A A . 3 ILE HD11 1 1
1 59 1 1 3 ILE HD12 H -0.923 -2.708 -4.620 1.00 . A A . 3 ILE HD12 1 1
1 60 1 1 3 ILE HD13 H 0.781 -3.013 -4.290 1.00 . A A . 3 ILE HD13 1 1
1 61 1 1 3 ILE HG12 H -1.004 -0.947 -2.988 1.00 . A A . 3 ILE HG12 1 1
1 62 1 1 3 ILE HG13 H 0.745 -0.932 -2.832 1.00 . A A . 3 ILE HG13 1 1
1 63 1 1 3 ILE HG21 H -0.555 -4.396 -3.019 1.00 . A A . 3 ILE HG21 1 1
1 64 1 1 3 ILE HG22 H -1.976 -3.382 -2.806 1.00 . A A . 3 ILE HG22 1 1
1 65 1 1 3 ILE HG23 H -1.389 -4.357 -1.465 1.00 . A A . 3 ILE HG23 1 1
1 66 1 1 3 ILE N N -2.127 -1.446 -0.964 1.00 . A A . 3 ILE N 1 1
1 67 1 1 3 ILE O O 1.290 -1.027 0.095 1.00 . A A . 3 ILE O 1 1
1 68 1 1 4 TRP C C 0.636 1.450 1.957 1.00 . A A . 4 TRP C 1 1
1 69 1 1 4 TRP CA C 0.156 1.519 0.521 1.00 . A A . 4 TRP CA 1 1
1 70 1 1 4 TRP CB C -0.814 2.664 0.347 1.00 . A A . 4 TRP CB 1 1
1 71 1 1 4 TRP CD1 C -2.261 1.823 -1.523 1.00 . A A . 4 TRP CD1 1 1
1 72 1 1 4 TRP CD2 C -0.620 3.183 -2.221 1.00 . A A . 4 TRP CD2 1 1
1 73 1 1 4 TRP CE2 C -1.320 2.774 -3.374 1.00 . A A . 4 TRP CE2 1 1
1 74 1 1 4 TRP CE3 C 0.472 4.051 -2.374 1.00 . A A . 4 TRP CE3 1 1
1 75 1 1 4 TRP CG C -1.243 2.577 -1.065 1.00 . A A . 4 TRP CG 1 1
1 76 1 1 4 TRP CH2 C 0.147 4.071 -4.781 1.00 . A A . 4 TRP CH2 1 1
1 77 1 1 4 TRP CZ2 C -0.945 3.208 -4.642 1.00 . A A . 4 TRP CZ2 1 1
1 78 1 1 4 TRP CZ3 C 0.854 4.491 -3.645 1.00 . A A . 4 TRP CZ3 1 1
1 79 1 1 4 TRP H H -1.474 0.355 -0.142 1.00 . A A . 4 TRP H 1 1
1 80 1 1 4 TRP HA H 1.003 1.698 -0.117 1.00 . A A . 4 TRP HA 1 1
1 81 1 1 4 TRP HB2 H -1.660 2.538 1.019 1.00 . A A . 4 TRP HB2 1 1
1 82 1 1 4 TRP HB3 H -0.323 3.607 0.529 1.00 . A A . 4 TRP HB3 1 1
1 83 1 1 4 TRP HD1 H -2.924 1.225 -0.918 1.00 . A A . 4 TRP HD1 1 1
1 84 1 1 4 TRP HE1 H -2.958 1.486 -3.468 1.00 . A A . 4 TRP HE1 1 1
1 85 1 1 4 TRP HE3 H 1.022 4.380 -1.504 1.00 . A A . 4 TRP HE3 1 1
1 86 1 1 4 TRP HH2 H 0.445 4.414 -5.761 1.00 . A A . 4 TRP HH2 1 1
1 87 1 1 4 TRP HZ2 H -1.489 2.875 -5.509 1.00 . A A . 4 TRP HZ2 1 1
1 88 1 1 4 TRP HZ3 H 1.698 5.154 -3.746 1.00 . A A . 4 TRP HZ3 1 1
1 89 1 1 4 TRP N N -0.516 0.304 0.061 1.00 . A A . 4 TRP N 1 1
1 90 1 1 4 TRP NE1 N -2.311 1.935 -2.894 1.00 . A A . 4 TRP NE1 1 1
1 91 1 1 4 TRP O O 0.579 2.448 2.676 1.00 . A A . 4 TRP O 1 1
1 92 1 1 5 TRP C C 2.887 -0.509 3.910 1.00 . A A . 5 TRP C 1 1
1 93 1 1 5 TRP CA C 1.507 0.137 3.772 1.00 . A A . 5 TRP CA 1 1
1 94 1 1 5 TRP CB C 0.499 -0.743 4.497 1.00 . A A . 5 TRP CB 1 1
1 95 1 1 5 TRP CD1 C -0.623 -1.621 2.430 1.00 . A A . 5 TRP CD1 1 1
1 96 1 1 5 TRP CD2 C -2.083 -0.652 3.829 1.00 . A A . 5 TRP CD2 1 1
1 97 1 1 5 TRP CE2 C -2.825 -1.140 2.731 1.00 . A A . 5 TRP CE2 1 1
1 98 1 1 5 TRP CE3 C -2.775 0.012 4.851 1.00 . A A . 5 TRP CE3 1 1
1 99 1 1 5 TRP CG C -0.682 -0.997 3.621 1.00 . A A . 5 TRP CG 1 1
1 100 1 1 5 TRP CH2 C -4.882 -0.316 3.672 1.00 . A A . 5 TRP CH2 1 1
1 101 1 1 5 TRP CZ2 C -4.204 -0.979 2.646 1.00 . A A . 5 TRP CZ2 1 1
1 102 1 1 5 TRP CZ3 C -4.168 0.183 4.772 1.00 . A A . 5 TRP CZ3 1 1
1 103 1 1 5 TRP H H 1.073 -0.492 1.794 1.00 . A A . 5 TRP H 1 1
1 104 1 1 5 TRP HA H 1.522 1.101 4.251 1.00 . A A . 5 TRP HA 1 1
1 105 1 1 5 TRP HB2 H 0.963 -1.688 4.724 1.00 . A A . 5 TRP HB2 1 1
1 106 1 1 5 TRP HB3 H 0.184 -0.269 5.407 1.00 . A A . 5 TRP HB3 1 1
1 107 1 1 5 TRP HD1 H 0.268 -1.987 1.955 1.00 . A A . 5 TRP HD1 1 1
1 108 1 1 5 TRP HE1 H -2.106 -2.157 1.072 1.00 . A A . 5 TRP HE1 1 1
1 109 1 1 5 TRP HE3 H -2.233 0.407 5.692 1.00 . A A . 5 TRP HE3 1 1
1 110 1 1 5 TRP HH2 H -5.952 -0.183 3.617 1.00 . A A . 5 TRP HH2 1 1
1 111 1 1 5 TRP HZ2 H -4.742 -1.369 1.794 1.00 . A A . 5 TRP HZ2 1 1
1 112 1 1 5 TRP HZ3 H -4.693 0.696 5.565 1.00 . A A . 5 TRP HZ3 1 1
1 113 1 1 5 TRP N N 1.070 0.283 2.393 1.00 . A A . 5 TRP N 1 1
1 114 1 1 5 TRP NE1 N -1.886 -1.724 1.915 1.00 . A A . 5 TRP NE1 1 1
1 115 1 1 5 TRP O O 3.791 0.052 4.529 1.00 . A A . 5 TRP O 1 1
1 116 1 1 6 TRP C C 5.363 -2.183 2.580 1.00 . A A . 6 TRP C 1 1
1 117 1 1 6 TRP CA C 4.227 -2.512 3.570 1.00 . A A . 6 TRP CA 1 1
1 118 1 1 6 TRP CB C 3.872 -4.000 3.471 1.00 . A A . 6 TRP CB 1 1
1 119 1 1 6 TRP CD1 C 1.541 -3.959 2.541 1.00 . A A . 6 TRP CD1 1 1
1 120 1 1 6 TRP CD2 C 3.037 -4.780 1.086 1.00 . A A . 6 TRP CD2 1 1
1 121 1 1 6 TRP CE2 C 1.785 -4.817 0.438 1.00 . A A . 6 TRP CE2 1 1
1 122 1 1 6 TRP CE3 C 4.159 -5.246 0.387 1.00 . A A . 6 TRP CE3 1 1
1 123 1 1 6 TRP CG C 2.854 -4.222 2.415 1.00 . A A . 6 TRP CG 1 1
1 124 1 1 6 TRP CH2 C 2.774 -5.774 -1.543 1.00 . A A . 6 TRP CH2 1 1
1 125 1 1 6 TRP CZ2 C 1.649 -5.306 -0.861 1.00 . A A . 6 TRP CZ2 1 1
1 126 1 1 6 TRP CZ3 C 4.029 -5.741 -0.922 1.00 . A A . 6 TRP CZ3 1 1
1 127 1 1 6 TRP H H 2.211 -2.142 3.003 1.00 . A A . 6 TRP H 1 1
1 128 1 1 6 TRP HA H 4.601 -2.338 4.565 1.00 . A A . 6 TRP HA 1 1
1 129 1 1 6 TRP HB2 H 4.745 -4.567 3.224 1.00 . A A . 6 TRP HB2 1 1
1 130 1 1 6 TRP HB3 H 3.476 -4.338 4.417 1.00 . A A . 6 TRP HB3 1 1
1 131 1 1 6 TRP HD1 H 1.067 -3.535 3.412 1.00 . A A . 6 TRP HD1 1 1
1 132 1 1 6 TRP HE1 H -0.041 -4.180 1.190 1.00 . A A . 6 TRP HE1 1 1
1 133 1 1 6 TRP HE3 H 5.131 -5.211 0.854 1.00 . A A . 6 TRP HE3 1 1
1 134 1 1 6 TRP HH2 H 2.678 -6.155 -2.549 1.00 . A A . 6 TRP HH2 1 1
1 135 1 1 6 TRP HZ2 H 0.681 -5.331 -1.333 1.00 . A A . 6 TRP HZ2 1 1
1 136 1 1 6 TRP HZ3 H 4.899 -6.103 -1.449 1.00 . A A . 6 TRP HZ3 1 1
1 137 1 1 6 TRP N N 2.997 -1.730 3.414 1.00 . A A . 6 TRP N 1 1
1 138 1 1 6 TRP NE1 N 0.908 -4.291 1.363 1.00 . A A . 6 TRP NE1 1 1
1 139 1 1 6 TRP O O 6.408 -1.676 2.988 1.00 . A A . 6 TRP O 1 1
1 140 1 1 7 TRP C C 6.775 -0.869 0.267 1.00 . A A . 7 TRP C 1 1
1 141 1 1 7 TRP CA C 6.255 -2.308 0.307 1.00 . A A . 7 TRP CA 1 1
1 142 1 1 7 TRP CB C 5.749 -2.674 -1.085 1.00 . A A . 7 TRP CB 1 1
1 143 1 1 7 TRP CD1 C 3.345 -2.005 -1.106 1.00 . A A . 7 TRP CD1 1 1
1 144 1 1 7 TRP CD2 C 4.670 -0.507 -2.110 1.00 . A A . 7 TRP CD2 1 1
1 145 1 1 7 TRP CE2 C 3.360 0.004 -2.185 1.00 . A A . 7 TRP CE2 1 1
1 146 1 1 7 TRP CE3 C 5.712 0.244 -2.670 1.00 . A A . 7 TRP CE3 1 1
1 147 1 1 7 TRP CG C 4.627 -1.779 -1.419 1.00 . A A . 7 TRP CG 1 1
1 148 1 1 7 TRP CH2 C 4.142 1.965 -3.352 1.00 . A A . 7 TRP CH2 1 1
1 149 1 1 7 TRP CZ2 C 3.090 1.228 -2.799 1.00 . A A . 7 TRP CZ2 1 1
1 150 1 1 7 TRP CZ3 C 5.450 1.474 -3.286 1.00 . A A . 7 TRP CZ3 1 1
1 151 1 1 7 TRP H H 4.360 -2.966 1.034 1.00 . A A . 7 TRP H 1 1
1 152 1 1 7 TRP HA H 7.080 -2.961 0.545 1.00 . A A . 7 TRP HA 1 1
1 153 1 1 7 TRP HB2 H 6.534 -2.536 -1.805 1.00 . A A . 7 TRP HB2 1 1
1 154 1 1 7 TRP HB3 H 5.418 -3.696 -1.101 1.00 . A A . 7 TRP HB3 1 1
1 155 1 1 7 TRP HD1 H 2.970 -2.866 -0.581 1.00 . A A . 7 TRP HD1 1 1
1 156 1 1 7 TRP HE1 H 1.630 -0.865 -1.424 1.00 . A A . 7 TRP HE1 1 1
1 157 1 1 7 TRP HE3 H 6.721 -0.124 -2.614 1.00 . A A . 7 TRP HE3 1 1
1 158 1 1 7 TRP HH2 H 3.950 2.914 -3.820 1.00 . A A . 7 TRP HH2 1 1
1 159 1 1 7 TRP HZ2 H 2.078 1.602 -2.847 1.00 . A A . 7 TRP HZ2 1 1
1 160 1 1 7 TRP HZ3 H 6.261 2.044 -3.715 1.00 . A A . 7 TRP HZ3 1 1
1 161 1 1 7 TRP N N 5.191 -2.522 1.305 1.00 . A A . 7 TRP N 1 1
1 162 1 1 7 TRP NE1 N 2.591 -0.946 -1.545 1.00 . A A . 7 TRP NE1 1 1
1 163 1 1 7 TRP O O 7.606 -0.542 -0.579 1.00 . A A . 7 TRP O 1 1
1 164 1 1 8 LEU C C 8.071 1.467 1.980 1.00 . A A . 8 LEU C 1 1
1 165 1 1 8 LEU CA C 6.787 1.372 1.171 1.00 . A A . 8 LEU CA 1 1
1 166 1 1 8 LEU CB C 5.732 2.304 1.774 1.00 . A A . 8 LEU CB 1 1
1 167 1 1 8 LEU CD1 C 3.284 2.688 2.109 1.00 . A A . 8 LEU CD1 1 1
1 168 1 1 8 LEU CD2 C 4.111 1.771 -0.052 1.00 . A A . 8 LEU CD2 1 1
1 169 1 1 8 LEU CG C 4.332 1.782 1.455 1.00 . A A . 8 LEU CG 1 1
1 170 1 1 8 LEU H H 5.664 -0.304 1.836 1.00 . A A . 8 LEU H 1 1
1 171 1 1 8 LEU HA H 6.985 1.682 0.150 1.00 . A A . 8 LEU HA 1 1
1 172 1 1 8 LEU HB2 H 5.861 2.349 2.846 1.00 . A A . 8 LEU HB2 1 1
1 173 1 1 8 LEU HB3 H 5.847 3.295 1.358 1.00 . A A . 8 LEU HB3 1 1
1 174 1 1 8 LEU HD11 H 2.871 2.189 2.968 1.00 . A A . 8 LEU HD11 1 1
1 175 1 1 8 LEU HD12 H 2.496 2.901 1.401 1.00 . A A . 8 LEU HD12 1 1
1 176 1 1 8 LEU HD13 H 3.744 3.613 2.417 1.00 . A A . 8 LEU HD13 1 1
1 177 1 1 8 LEU HD21 H 4.903 1.224 -0.525 1.00 . A A . 8 LEU HD21 1 1
1 178 1 1 8 LEU HD22 H 4.094 2.783 -0.426 1.00 . A A . 8 LEU HD22 1 1
1 179 1 1 8 LEU HD23 H 3.168 1.294 -0.261 1.00 . A A . 8 LEU HD23 1 1
1 180 1 1 8 LEU HG H 4.232 0.777 1.833 1.00 . A A . 8 LEU HG 1 1
1 181 1 1 8 LEU N N 6.313 -0.010 1.167 1.00 . A A . 8 LEU N 1 1
1 182 1 1 8 LEU O O 8.895 2.352 1.751 1.00 . A A . 8 LEU O 1 1
1 183 1 1 9 NH2 HN1 H 7.626 -0.110 3.099 1.00 . A A . 9 NH2 HN1 1 1
1 184 1 1 9 NH2 HN2 H 9.104 0.635 3.451 1.00 . A A . 9 NH2 HN2 1 1
1 185 1 1 9 NH2 N N 8.287 0.592 2.922 1.00 . A A . 9 NH2 N 1 1
2 186 1 1 1 ARG C C -5.862 -0.279 -0.326 1.00 . A A . 1 ARG C 1 1
2 187 1 1 1 ARG CA C -6.164 1.165 -0.725 1.00 . A A . 1 ARG CA 1 1
2 188 1 1 1 ARG CB C -5.564 1.473 -2.097 1.00 . A A . 1 ARG CB 1 1
2 189 1 1 1 ARG CD C -5.495 3.227 -3.907 1.00 . A A . 1 ARG CD 1 1
2 190 1 1 1 ARG CG C -5.735 2.966 -2.409 1.00 . A A . 1 ARG CG 1 1
2 191 1 1 1 ARG CZ C -7.912 3.325 -4.338 1.00 . A A . 1 ARG CZ 1 1
2 192 1 1 1 ARG H1 H -5.406 3.015 -0.148 1.00 . A A . 1 ARG H1 1 1
2 193 1 1 1 ARG H2 H -4.685 1.693 0.639 1.00 . A A . 1 ARG H2 1 1
2 194 1 1 1 ARG H3 H -6.246 2.199 1.079 1.00 . A A . 1 ARG H3 1 1
2 195 1 1 1 ARG HA H -7.235 1.307 -0.763 1.00 . A A . 1 ARG HA 1 1
2 196 1 1 1 ARG HB2 H -4.515 1.224 -2.088 1.00 . A A . 1 ARG HB2 1 1
2 197 1 1 1 ARG HB3 H -6.067 0.887 -2.850 1.00 . A A . 1 ARG HB3 1 1
2 198 1 1 1 ARG HD2 H -4.686 3.931 -4.016 1.00 . A A . 1 ARG HD2 1 1
2 199 1 1 1 ARG HD3 H -5.217 2.300 -4.398 1.00 . A A . 1 ARG HD3 1 1
2 200 1 1 1 ARG HE H -6.575 4.583 -5.129 1.00 . A A . 1 ARG HE 1 1
2 201 1 1 1 ARG HG2 H -6.730 3.280 -2.136 1.00 . A A . 1 ARG HG2 1 1
2 202 1 1 1 ARG HG3 H -5.017 3.529 -1.831 1.00 . A A . 1 ARG HG3 1 1
2 203 1 1 1 ARG HH11 H -8.801 4.702 -5.487 1.00 . A A . 1 ARG HH11 1 1
2 204 1 1 1 ARG HH12 H -9.859 3.543 -4.752 1.00 . A A . 1 ARG HH12 1 1
2 205 1 1 1 ARG HH21 H -7.312 1.825 -3.162 1.00 . A A . 1 ARG HH21 1 1
2 206 1 1 1 ARG HH22 H -9.017 1.918 -3.441 1.00 . A A . 1 ARG HH22 1 1
2 207 1 1 1 ARG N N -5.581 2.087 0.288 1.00 . A A . 1 ARG N 1 1
2 208 1 1 1 ARG NE N -6.685 3.806 -4.542 1.00 . A A . 1 ARG NE 1 1
2 209 1 1 1 ARG NH1 N -8.937 3.902 -4.903 1.00 . A A . 1 ARG NH1 1 1
2 210 1 1 1 ARG NH2 N -8.094 2.274 -3.588 1.00 . A A . 1 ARG NH2 1 1
2 211 1 1 1 ARG O O -6.747 -0.990 0.149 1.00 . A A . 1 ARG O 1 1
2 212 1 1 2 LYS C C -2.728 -2.304 -0.282 1.00 . A A . 2 LYS C 1 1
2 213 1 1 2 LYS CA C -4.228 -2.070 -0.145 1.00 . A A . 2 LYS CA 1 1
2 214 1 1 2 LYS CB C -5.004 -3.089 -0.996 1.00 . A A . 2 LYS CB 1 1
2 215 1 1 2 LYS CD C -5.168 -1.616 -3.033 1.00 . A A . 2 LYS CD 1 1
2 216 1 1 2 LYS CE C -5.348 -1.722 -4.549 1.00 . A A . 2 LYS CE 1 1
2 217 1 1 2 LYS CG C -4.642 -2.943 -2.483 1.00 . A A . 2 LYS CG 1 1
2 218 1 1 2 LYS H H -3.939 -0.098 -0.884 1.00 . A A . 2 LYS H 1 1
2 219 1 1 2 LYS HA H -4.480 -2.227 0.882 1.00 . A A . 2 LYS HA 1 1
2 220 1 1 2 LYS HB2 H -4.755 -4.088 -0.668 1.00 . A A . 2 LYS HB2 1 1
2 221 1 1 2 LYS HB3 H -6.064 -2.929 -0.870 1.00 . A A . 2 LYS HB3 1 1
2 222 1 1 2 LYS HD2 H -6.119 -1.386 -2.575 1.00 . A A . 2 LYS HD2 1 1
2 223 1 1 2 LYS HD3 H -4.460 -0.833 -2.814 1.00 . A A . 2 LYS HD3 1 1
2 224 1 1 2 LYS HE2 H -4.466 -2.167 -4.986 1.00 . A A . 2 LYS HE2 1 1
2 225 1 1 2 LYS HE3 H -6.208 -2.339 -4.767 1.00 . A A . 2 LYS HE3 1 1
2 226 1 1 2 LYS HG2 H -3.576 -2.975 -2.594 1.00 . A A . 2 LYS HG2 1 1
2 227 1 1 2 LYS HG3 H -5.081 -3.754 -3.040 1.00 . A A . 2 LYS HG3 1 1
2 228 1 1 2 LYS HZ1 H -6.566 -0.216 -5.314 1.00 . A A . 2 LYS HZ1 1 1
2 229 1 1 2 LYS HZ2 H -5.015 -0.274 -6.008 1.00 . A A . 2 LYS HZ2 1 1
2 230 1 1 2 LYS HZ3 H -5.226 0.354 -4.444 1.00 . A A . 2 LYS HZ3 1 1
2 231 1 1 2 LYS N N -4.610 -0.706 -0.509 1.00 . A A . 2 LYS N 1 1
2 232 1 1 2 LYS NZ N -5.555 -0.362 -5.122 1.00 . A A . 2 LYS NZ 1 1
2 233 1 1 2 LYS O O -2.238 -3.394 0.016 1.00 . A A . 2 LYS O 1 1
2 234 1 1 3 ILE C C 0.227 -0.356 -0.108 1.00 . A A . 3 ILE C 1 1
2 235 1 1 3 ILE CA C -0.553 -1.420 -0.895 1.00 . A A . 3 ILE CA 1 1
2 236 1 1 3 ILE CB C -0.224 -1.317 -2.379 1.00 . A A . 3 ILE CB 1 1
2 237 1 1 3 ILE CD1 C -0.245 0.246 -4.345 1.00 . A A . 3 ILE CD1 1 1
2 238 1 1 3 ILE CG1 C -0.247 0.153 -2.815 1.00 . A A . 3 ILE CG1 1 1
2 239 1 1 3 ILE CG2 C -1.263 -2.095 -3.180 1.00 . A A . 3 ILE CG2 1 1
2 240 1 1 3 ILE H H -2.436 -0.441 -0.955 1.00 . A A . 3 ILE H 1 1
2 241 1 1 3 ILE HA H -0.250 -2.391 -0.547 1.00 . A A . 3 ILE HA 1 1
2 242 1 1 3 ILE HB H 0.741 -1.739 -2.553 1.00 . A A . 3 ILE HB 1 1
2 243 1 1 3 ILE HD11 H -1.260 0.337 -4.701 1.00 . A A . 3 ILE HD11 1 1
2 244 1 1 3 ILE HD12 H 0.204 -0.644 -4.764 1.00 . A A . 3 ILE HD12 1 1
2 245 1 1 3 ILE HD13 H 0.323 1.110 -4.651 1.00 . A A . 3 ILE HD13 1 1
2 246 1 1 3 ILE HG12 H -1.139 0.622 -2.430 1.00 . A A . 3 ILE HG12 1 1
2 247 1 1 3 ILE HG13 H 0.619 0.659 -2.426 1.00 . A A . 3 ILE HG13 1 1
2 248 1 1 3 ILE HG21 H -0.891 -2.271 -4.177 1.00 . A A . 3 ILE HG21 1 1
2 249 1 1 3 ILE HG22 H -2.176 -1.520 -3.233 1.00 . A A . 3 ILE HG22 1 1
2 250 1 1 3 ILE HG23 H -1.455 -3.040 -2.695 1.00 . A A . 3 ILE HG23 1 1
2 251 1 1 3 ILE N N -1.999 -1.289 -0.731 1.00 . A A . 3 ILE N 1 1
2 252 1 1 3 ILE O O 1.343 -0.592 0.353 1.00 . A A . 3 ILE O 1 1
2 253 1 1 4 TRP C C 0.668 1.752 2.094 1.00 . A A . 4 TRP C 1 1
2 254 1 1 4 TRP CA C 0.243 1.980 0.649 1.00 . A A . 4 TRP CA 1 1
2 255 1 1 4 TRP CB C -0.736 3.141 0.551 1.00 . A A . 4 TRP CB 1 1
2 256 1 1 4 TRP CD1 C -2.549 2.590 -1.102 1.00 . A A . 4 TRP CD1 1 1
2 257 1 1 4 TRP CD2 C -0.664 3.330 -2.068 1.00 . A A . 4 TRP CD2 1 1
2 258 1 1 4 TRP CE2 C -1.557 3.029 -3.113 1.00 . A A . 4 TRP CE2 1 1
2 259 1 1 4 TRP CE3 C 0.608 3.824 -2.400 1.00 . A A . 4 TRP CE3 1 1
2 260 1 1 4 TRP CG C -1.316 3.045 -0.807 1.00 . A A . 4 TRP CG 1 1
2 261 1 1 4 TRP CH2 C 0.066 3.689 -4.766 1.00 . A A . 4 TRP CH2 1 1
2 262 1 1 4 TRP CZ2 C -1.204 3.199 -4.444 1.00 . A A . 4 TRP CZ2 1 1
2 263 1 1 4 TRP CZ3 C 0.971 4.005 -3.741 1.00 . A A . 4 TRP CZ3 1 1
2 264 1 1 4 TRP H H -1.238 0.934 -0.439 1.00 . A A . 4 TRP H 1 1
2 265 1 1 4 TRP HA H 1.117 2.241 0.088 1.00 . A A . 4 TRP HA 1 1
2 266 1 1 4 TRP HB2 H -1.509 3.041 1.302 1.00 . A A . 4 TRP HB2 1 1
2 267 1 1 4 TRP HB3 H -0.217 4.080 0.666 1.00 . A A . 4 TRP HB3 1 1
2 268 1 1 4 TRP HD1 H -3.295 2.281 -0.385 1.00 . A A . 4 TRP HD1 1 1
2 269 1 1 4 TRP HE1 H -3.493 2.283 -2.952 1.00 . A A . 4 TRP HE1 1 1
2 270 1 1 4 TRP HE3 H 1.311 4.069 -1.617 1.00 . A A . 4 TRP HE3 1 1
2 271 1 1 4 TRP HH2 H 0.349 3.829 -5.799 1.00 . A A . 4 TRP HH2 1 1
2 272 1 1 4 TRP HZ2 H -1.899 2.939 -5.220 1.00 . A A . 4 TRP HZ2 1 1
2 273 1 1 4 TRP HZ3 H 1.954 4.382 -3.983 1.00 . A A . 4 TRP HZ3 1 1
2 274 1 1 4 TRP N N -0.363 0.818 -0.013 1.00 . A A . 4 TRP N 1 1
2 275 1 1 4 TRP NE1 N -2.693 2.574 -2.474 1.00 . A A . 4 TRP NE1 1 1
2 276 1 1 4 TRP O O 0.570 2.667 2.912 1.00 . A A . 4 TRP O 1 1
2 277 1 1 5 TRP C C 2.815 -0.533 3.907 1.00 . A A . 5 TRP C 1 1
2 278 1 1 5 TRP CA C 1.529 0.286 3.805 1.00 . A A . 5 TRP CA 1 1
2 279 1 1 5 TRP CB C 0.422 -0.497 4.500 1.00 . A A . 5 TRP CB 1 1
2 280 1 1 5 TRP CD1 C -0.841 -1.073 2.426 1.00 . A A . 5 TRP CD1 1 1
2 281 1 1 5 TRP CD2 C -2.118 0.027 3.904 1.00 . A A . 5 TRP CD2 1 1
2 282 1 1 5 TRP CE2 C -2.932 -0.255 2.785 1.00 . A A . 5 TRP CE2 1 1
2 283 1 1 5 TRP CE3 C -2.691 0.721 4.984 1.00 . A A . 5 TRP CE3 1 1
2 284 1 1 5 TRP CG C -0.792 -0.515 3.646 1.00 . A A . 5 TRP CG 1 1
2 285 1 1 5 TRP CH2 C -4.823 0.826 3.811 1.00 . A A . 5 TRP CH2 1 1
2 286 1 1 5 TRP CZ2 C -4.265 0.135 2.732 1.00 . A A . 5 TRP CZ2 1 1
2 287 1 1 5 TRP CZ3 C -4.038 1.119 4.936 1.00 . A A . 5 TRP CZ3 1 1
2 288 1 1 5 TRP H H 1.179 -0.157 1.751 1.00 . A A . 5 TRP H 1 1
2 289 1 1 5 TRP HA H 1.666 1.217 4.323 1.00 . A A . 5 TRP HA 1 1
2 290 1 1 5 TRP HB2 H 0.753 -1.511 4.644 1.00 . A A . 5 TRP HB2 1 1
2 291 1 1 5 TRP HB3 H 0.195 -0.053 5.451 1.00 . A A . 5 TRP HB3 1 1
2 292 1 1 5 TRP HD1 H -0.022 -1.554 1.929 1.00 . A A . 5 TRP HD1 1 1
2 293 1 1 5 TRP HE1 H -2.388 -1.259 1.050 1.00 . A A . 5 TRP HE1 1 1
2 294 1 1 5 TRP HE3 H -2.092 0.952 5.851 1.00 . A A . 5 TRP HE3 1 1
2 295 1 1 5 TRP HH2 H -5.859 1.134 3.779 1.00 . A A . 5 TRP HH2 1 1
2 296 1 1 5 TRP HZ2 H -4.858 -0.094 1.862 1.00 . A A . 5 TRP HZ2 1 1
2 297 1 1 5 TRP HZ3 H -4.470 1.652 5.769 1.00 . A A . 5 TRP HZ3 1 1
2 298 1 1 5 TRP N N 1.123 0.552 2.426 1.00 . A A . 5 TRP N 1 1
2 299 1 1 5 TRP NE1 N -2.102 -0.929 1.916 1.00 . A A . 5 TRP NE1 1 1
2 300 1 1 5 TRP O O 3.783 -0.122 4.546 1.00 . A A . 5 TRP O 1 1
2 301 1 1 6 TRP C C 5.048 -2.431 2.484 1.00 . A A . 6 TRP C 1 1
2 302 1 1 6 TRP CA C 3.878 -2.676 3.457 1.00 . A A . 6 TRP CA 1 1
2 303 1 1 6 TRP CB C 3.326 -4.095 3.254 1.00 . A A . 6 TRP CB 1 1
2 304 1 1 6 TRP CD1 C 0.983 -3.679 2.460 1.00 . A A . 6 TRP CD1 1 1
2 305 1 1 6 TRP CD2 C 2.291 -4.548 0.860 1.00 . A A . 6 TRP CD2 1 1
2 306 1 1 6 TRP CE2 C 1.019 -4.365 0.282 1.00 . A A . 6 TRP CE2 1 1
2 307 1 1 6 TRP CE3 C 3.308 -5.090 0.061 1.00 . A A . 6 TRP CE3 1 1
2 308 1 1 6 TRP CG C 2.242 -4.092 2.239 1.00 . A A . 6 TRP CG 1 1
2 309 1 1 6 TRP CH2 C 1.778 -5.257 -1.825 1.00 . A A . 6 TRP CH2 1 1
2 310 1 1 6 TRP CZ2 C 0.758 -4.712 -1.044 1.00 . A A . 6 TRP CZ2 1 1
2 311 1 1 6 TRP CZ3 C 3.053 -5.443 -1.275 1.00 . A A . 6 TRP CZ3 1 1
2 312 1 1 6 TRP H H 1.932 -2.015 2.925 1.00 . A A . 6 TRP H 1 1
2 313 1 1 6 TRP HA H 4.267 -2.619 4.460 1.00 . A A . 6 TRP HA 1 1
2 314 1 1 6 TRP HB2 H 4.104 -4.743 2.915 1.00 . A A . 6 TRP HB2 1 1
2 315 1 1 6 TRP HB3 H 2.929 -4.461 4.190 1.00 . A A . 6 TRP HB3 1 1
2 316 1 1 6 TRP HD1 H 0.606 -3.278 3.386 1.00 . A A . 6 TRP HD1 1 1
2 317 1 1 6 TRP HE1 H -0.670 -3.570 1.185 1.00 . A A . 6 TRP HE1 1 1
2 318 1 1 6 TRP HE3 H 4.295 -5.223 0.473 1.00 . A A . 6 TRP HE3 1 1
2 319 1 1 6 TRP HH2 H 1.587 -5.529 -2.853 1.00 . A A . 6 TRP HH2 1 1
2 320 1 1 6 TRP HZ2 H -0.228 -4.565 -1.461 1.00 . A A . 6 TRP HZ2 1 1
2 321 1 1 6 TRP HZ3 H 3.843 -5.864 -1.879 1.00 . A A . 6 TRP HZ3 1 1
2 322 1 1 6 TRP N N 2.765 -1.732 3.352 1.00 . A A . 6 TRP N 1 1
2 323 1 1 6 TRP NE1 N 0.261 -3.818 1.295 1.00 . A A . 6 TRP NE1 1 1
2 324 1 1 6 TRP O O 6.152 -2.101 2.918 1.00 . A A . 6 TRP O 1 1
2 325 1 1 7 TRP C C 6.572 -1.137 0.198 1.00 . A A . 7 TRP C 1 1
2 326 1 1 7 TRP CA C 5.906 -2.515 0.200 1.00 . A A . 7 TRP CA 1 1
2 327 1 1 7 TRP CB C 5.359 -2.782 -1.196 1.00 . A A . 7 TRP CB 1 1
2 328 1 1 7 TRP CD1 C 3.066 -1.785 -1.191 1.00 . A A . 7 TRP CD1 1 1
2 329 1 1 7 TRP CD2 C 4.584 -0.477 -2.191 1.00 . A A . 7 TRP CD2 1 1
2 330 1 1 7 TRP CE2 C 3.359 0.212 -2.259 1.00 . A A . 7 TRP CE2 1 1
2 331 1 1 7 TRP CE3 C 5.719 0.125 -2.748 1.00 . A A . 7 TRP CE3 1 1
2 332 1 1 7 TRP CG C 4.368 -1.737 -1.513 1.00 . A A . 7 TRP CG 1 1
2 333 1 1 7 TRP CH2 C 4.405 2.052 -3.418 1.00 . A A . 7 TRP CH2 1 1
2 334 1 1 7 TRP CZ2 C 3.262 1.466 -2.865 1.00 . A A . 7 TRP CZ2 1 1
2 335 1 1 7 TRP CZ3 C 5.632 1.383 -3.357 1.00 . A A . 7 TRP CZ3 1 1
2 336 1 1 7 TRP H H 3.945 -2.960 0.903 1.00 . A A . 7 TRP H 1 1
2 337 1 1 7 TRP HA H 6.660 -3.257 0.411 1.00 . A A . 7 TRP HA 1 1
2 338 1 1 7 TRP HB2 H 6.158 -2.734 -1.913 1.00 . A A . 7 TRP HB2 1 1
2 339 1 1 7 TRP HB3 H 4.896 -3.749 -1.234 1.00 . A A . 7 TRP HB3 1 1
2 340 1 1 7 TRP HD1 H 2.578 -2.589 -0.669 1.00 . A A . 7 TRP HD1 1 1
2 341 1 1 7 TRP HE1 H 1.526 -0.416 -1.491 1.00 . A A . 7 TRP HE1 1 1
2 342 1 1 7 TRP HE3 H 6.666 -0.380 -2.693 1.00 . A A . 7 TRP HE3 1 1
2 343 1 1 7 TRP HH2 H 4.343 3.022 -3.883 1.00 . A A . 7 TRP HH2 1 1
2 344 1 1 7 TRP HZ2 H 2.316 1.978 -2.910 1.00 . A A . 7 TRP HZ2 1 1
2 345 1 1 7 TRP HZ3 H 6.513 1.837 -3.784 1.00 . A A . 7 TRP HZ3 1 1
2 346 1 1 7 TRP N N 4.829 -2.652 1.193 1.00 . A A . 7 TRP N 1 1
2 347 1 1 7 TRP NE1 N 2.466 -0.628 -1.618 1.00 . A A . 7 TRP NE1 1 1
2 348 1 1 7 TRP O O 7.471 -0.896 -0.607 1.00 . A A . 7 TRP O 1 1
2 349 1 1 8 LEU C C 8.043 1.031 1.954 1.00 . A A . 8 LEU C 1 1
2 350 1 1 8 LEU CA C 6.782 1.087 1.108 1.00 . A A . 8 LEU CA 1 1
2 351 1 1 8 LEU CB C 5.831 2.143 1.684 1.00 . A A . 8 LEU CB 1 1
2 352 1 1 8 LEU CD1 C 3.449 2.744 2.134 1.00 . A A . 8 LEU CD1 1 1
2 353 1 1 8 LEU CD2 C 4.098 1.869 -0.105 1.00 . A A . 8 LEU CD2 1 1
2 354 1 1 8 LEU CG C 4.376 1.776 1.391 1.00 . A A . 8 LEU CG 1 1
2 355 1 1 8 LEU H H 5.457 -0.460 1.718 1.00 . A A . 8 LEU H 1 1
2 356 1 1 8 LEU HA H 7.049 1.371 0.096 1.00 . A A . 8 LEU HA 1 1
2 357 1 1 8 LEU HB2 H 5.970 2.207 2.754 1.00 . A A . 8 LEU HB2 1 1
2 358 1 1 8 LEU HB3 H 6.051 3.103 1.240 1.00 . A A . 8 LEU HB3 1 1
2 359 1 1 8 LEU HD11 H 2.672 3.088 1.469 1.00 . A A . 8 LEU HD11 1 1
2 360 1 1 8 LEU HD12 H 4.016 3.593 2.485 1.00 . A A . 8 LEU HD12 1 1
2 361 1 1 8 LEU HD13 H 3.006 2.239 2.975 1.00 . A A . 8 LEU HD13 1 1
2 362 1 1 8 LEU HD21 H 4.014 2.903 -0.397 1.00 . A A . 8 LEU HD21 1 1
2 363 1 1 8 LEU HD22 H 3.171 1.360 -0.318 1.00 . A A . 8 LEU HD22 1 1
2 364 1 1 8 LEU HD23 H 4.901 1.403 -0.649 1.00 . A A . 8 LEU HD23 1 1
2 365 1 1 8 LEU HG H 4.188 0.767 1.724 1.00 . A A . 8 LEU HG 1 1
2 366 1 1 8 LEU N N 6.162 -0.237 1.080 1.00 . A A . 8 LEU N 1 1
2 367 1 1 8 LEU O O 8.924 1.881 1.826 1.00 . A A . 8 LEU O 1 1
2 368 1 1 9 NH2 HN1 H 7.469 -0.605 2.915 1.00 . A A . 9 NH2 HN1 1 1
2 369 1 1 9 NH2 HN2 H 8.973 0.014 3.373 1.00 . A A . 9 NH2 HN2 1 1
2 370 1 1 9 NH2 N N 8.175 0.067 2.820 1.00 . A A . 9 NH2 N 1 1
3 371 1 1 1 ARG C C -5.952 0.558 -0.272 1.00 . A A . 1 ARG C 1 1
3 372 1 1 1 ARG CA C -6.113 1.902 0.445 1.00 . A A . 1 ARG CA 1 1
3 373 1 1 1 ARG CB C -5.099 2.050 1.588 1.00 . A A . 1 ARG CB 1 1
3 374 1 1 1 ARG CD C -6.139 4.207 2.311 1.00 . A A . 1 ARG CD 1 1
3 375 1 1 1 ARG CG C -4.840 3.535 1.857 1.00 . A A . 1 ARG CG 1 1
3 376 1 1 1 ARG CZ C -6.846 6.442 2.945 1.00 . A A . 1 ARG CZ 1 1
3 377 1 1 1 ARG H1 H -7.819 1.045 1.272 1.00 . A A . 1 ARG H1 1 1
3 378 1 1 1 ARG H2 H -8.129 2.395 0.288 1.00 . A A . 1 ARG H2 1 1
3 379 1 1 1 ARG H3 H -7.483 2.606 1.845 1.00 . A A . 1 ARG H3 1 1
3 380 1 1 1 ARG HA H -5.967 2.700 -0.269 1.00 . A A . 1 ARG HA 1 1
3 381 1 1 1 ARG HB2 H -5.497 1.591 2.479 1.00 . A A . 1 ARG HB2 1 1
3 382 1 1 1 ARG HB3 H -4.170 1.572 1.323 1.00 . A A . 1 ARG HB3 1 1
3 383 1 1 1 ARG HD2 H -6.825 4.256 1.479 1.00 . A A . 1 ARG HD2 1 1
3 384 1 1 1 ARG HD3 H -6.582 3.627 3.106 1.00 . A A . 1 ARG HD3 1 1
3 385 1 1 1 ARG HE H -4.946 5.815 3.006 1.00 . A A . 1 ARG HE 1 1
3 386 1 1 1 ARG HG2 H -4.093 3.635 2.632 1.00 . A A . 1 ARG HG2 1 1
3 387 1 1 1 ARG HG3 H -4.488 4.010 0.955 1.00 . A A . 1 ARG HG3 1 1
3 388 1 1 1 ARG HH11 H -5.634 7.900 3.588 1.00 . A A . 1 ARG HH11 1 1
3 389 1 1 1 ARG HH12 H -7.313 8.313 3.489 1.00 . A A . 1 ARG HH12 1 1
3 390 1 1 1 ARG HH21 H -8.283 5.187 2.340 1.00 . A A . 1 ARG HH21 1 1
3 391 1 1 1 ARG HH22 H -8.813 6.775 2.782 1.00 . A A . 1 ARG HH22 1 1
3 392 1 1 1 ARG N N -7.490 1.994 1.004 1.00 . A A . 1 ARG N 1 1
3 393 1 1 1 ARG NE N -5.866 5.556 2.792 1.00 . A A . 1 ARG NE 1 1
3 394 1 1 1 ARG NH1 N -6.576 7.645 3.374 1.00 . A A . 1 ARG NH1 1 1
3 395 1 1 1 ARG NH2 N -8.077 6.109 2.668 1.00 . A A . 1 ARG NH2 1 1
3 396 1 1 1 ARG O O -6.879 0.092 -0.932 1.00 . A A . 1 ARG O 1 1
3 397 1 1 2 LYS C C -3.204 -1.935 -0.379 1.00 . A A . 2 LYS C 1 1
3 398 1 1 2 LYS CA C -4.525 -1.331 -0.823 1.00 . A A . 2 LYS CA 1 1
3 399 1 1 2 LYS CB C -4.519 -1.124 -2.339 1.00 . A A . 2 LYS CB 1 1
3 400 1 1 2 LYS CD C -3.665 -2.452 -4.302 1.00 . A A . 2 LYS CD 1 1
3 401 1 1 2 LYS CE C -4.464 -1.902 -5.486 1.00 . A A . 2 LYS CE 1 1
3 402 1 1 2 LYS CG C -4.549 -2.487 -3.049 1.00 . A A . 2 LYS CG 1 1
3 403 1 1 2 LYS H H -4.061 0.360 0.368 1.00 . A A . 2 LYS H 1 1
3 404 1 1 2 LYS HA H -5.304 -2.020 -0.574 1.00 . A A . 2 LYS HA 1 1
3 405 1 1 2 LYS HB2 H -5.389 -0.549 -2.624 1.00 . A A . 2 LYS HB2 1 1
3 406 1 1 2 LYS HB3 H -3.629 -0.585 -2.620 1.00 . A A . 2 LYS HB3 1 1
3 407 1 1 2 LYS HD2 H -2.808 -1.820 -4.122 1.00 . A A . 2 LYS HD2 1 1
3 408 1 1 2 LYS HD3 H -3.328 -3.452 -4.530 1.00 . A A . 2 LYS HD3 1 1
3 409 1 1 2 LYS HE2 H -3.822 -1.829 -6.351 1.00 . A A . 2 LYS HE2 1 1
3 410 1 1 2 LYS HE3 H -5.287 -2.568 -5.704 1.00 . A A . 2 LYS HE3 1 1
3 411 1 1 2 LYS HG2 H -4.185 -3.252 -2.379 1.00 . A A . 2 LYS HG2 1 1
3 412 1 1 2 LYS HG3 H -5.564 -2.718 -3.337 1.00 . A A . 2 LYS HG3 1 1
3 413 1 1 2 LYS HZ1 H -5.929 -0.648 -4.702 1.00 . A A . 2 LYS HZ1 1 1
3 414 1 1 2 LYS HZ2 H -5.076 0.017 -6.013 1.00 . A A . 2 LYS HZ2 1 1
3 415 1 1 2 LYS HZ3 H -4.345 -0.082 -4.482 1.00 . A A . 2 LYS HZ3 1 1
3 416 1 1 2 LYS N N -4.774 -0.055 -0.158 1.00 . A A . 2 LYS N 1 1
3 417 1 1 2 LYS NZ N -4.993 -0.552 -5.145 1.00 . A A . 2 LYS NZ 1 1
3 418 1 1 2 LYS O O -3.177 -2.838 0.457 1.00 . A A . 2 LYS O 1 1
3 419 1 1 3 ILE C C 0.101 -0.813 -0.097 1.00 . A A . 3 ILE C 1 1
3 420 1 1 3 ILE CA C -0.784 -1.946 -0.624 1.00 . A A . 3 ILE CA 1 1
3 421 1 1 3 ILE CB C -0.173 -2.560 -1.873 1.00 . A A . 3 ILE CB 1 1
3 422 1 1 3 ILE CD1 C 0.077 -2.219 -4.343 1.00 . A A . 3 ILE CD1 1 1
3 423 1 1 3 ILE CG1 C -0.160 -1.520 -3.003 1.00 . A A . 3 ILE CG1 1 1
3 424 1 1 3 ILE CG2 C -1.006 -3.776 -2.293 1.00 . A A . 3 ILE CG2 1 1
3 425 1 1 3 ILE H H -2.204 -0.734 -1.620 1.00 . A A . 3 ILE H 1 1
3 426 1 1 3 ILE HA H -0.864 -2.714 0.129 1.00 . A A . 3 ILE HA 1 1
3 427 1 1 3 ILE HB H 0.823 -2.874 -1.655 1.00 . A A . 3 ILE HB 1 1
3 428 1 1 3 ILE HD11 H -0.816 -2.749 -4.637 1.00 . A A . 3 ILE HD11 1 1
3 429 1 1 3 ILE HD12 H 0.894 -2.916 -4.244 1.00 . A A . 3 ILE HD12 1 1
3 430 1 1 3 ILE HD13 H 0.321 -1.481 -5.092 1.00 . A A . 3 ILE HD13 1 1
3 431 1 1 3 ILE HG12 H -1.106 -1.004 -3.029 1.00 . A A . 3 ILE HG12 1 1
3 432 1 1 3 ILE HG13 H 0.629 -0.808 -2.830 1.00 . A A . 3 ILE HG13 1 1
3 433 1 1 3 ILE HG21 H -1.907 -3.441 -2.775 1.00 . A A . 3 ILE HG21 1 1
3 434 1 1 3 ILE HG22 H -1.262 -4.359 -1.422 1.00 . A A . 3 ILE HG22 1 1
3 435 1 1 3 ILE HG23 H -0.435 -4.384 -2.980 1.00 . A A . 3 ILE HG23 1 1
3 436 1 1 3 ILE N N -2.114 -1.446 -0.953 1.00 . A A . 3 ILE N 1 1
3 437 1 1 3 ILE O O 1.295 -0.982 0.128 1.00 . A A . 3 ILE O 1 1
3 438 1 1 4 TRP C C 0.637 1.459 1.989 1.00 . A A . 4 TRP C 1 1
3 439 1 1 4 TRP CA C 0.162 1.547 0.556 1.00 . A A . 4 TRP CA 1 1
3 440 1 1 4 TRP CB C -0.795 2.709 0.401 1.00 . A A . 4 TRP CB 1 1
3 441 1 1 4 TRP CD1 C -2.397 1.935 -1.366 1.00 . A A . 4 TRP CD1 1 1
3 442 1 1 4 TRP CD2 C -0.690 3.132 -2.194 1.00 . A A . 4 TRP CD2 1 1
3 443 1 1 4 TRP CE2 C -1.479 2.742 -3.295 1.00 . A A . 4 TRP CE2 1 1
3 444 1 1 4 TRP CE3 C 0.459 3.904 -2.432 1.00 . A A . 4 TRP CE3 1 1
3 445 1 1 4 TRP CG C -1.297 2.611 -0.986 1.00 . A A . 4 TRP CG 1 1
3 446 1 1 4 TRP CH2 C 0.010 3.871 -4.822 1.00 . A A . 4 TRP CH2 1 1
3 447 1 1 4 TRP CZ2 C -1.138 3.102 -4.596 1.00 . A A . 4 TRP CZ2 1 1
3 448 1 1 4 TRP CZ3 C 0.806 4.271 -3.738 1.00 . A A . 4 TRP CZ3 1 1
3 449 1 1 4 TRP H H -1.471 0.393 -0.127 1.00 . A A . 4 TRP H 1 1
3 450 1 1 4 TRP HA H 1.013 1.723 -0.076 1.00 . A A . 4 TRP HA 1 1
3 451 1 1 4 TRP HB2 H -1.610 2.612 1.116 1.00 . A A . 4 TRP HB2 1 1
3 452 1 1 4 TRP HB3 H -0.277 3.645 0.544 1.00 . A A . 4 TRP HB3 1 1
3 453 1 1 4 TRP HD1 H -3.073 1.418 -0.706 1.00 . A A . 4 TRP HD1 1 1
3 454 1 1 4 TRP HE1 H -3.214 1.588 -3.259 1.00 . A A . 4 TRP HE1 1 1
3 455 1 1 4 TRP HE3 H 1.078 4.216 -1.604 1.00 . A A . 4 TRP HE3 1 1
3 456 1 1 4 TRP HH2 H 0.281 4.156 -5.827 1.00 . A A . 4 TRP HH2 1 1
3 457 1 1 4 TRP HZ2 H -1.751 2.786 -5.422 1.00 . A A . 4 TRP HZ2 1 1
3 458 1 1 4 TRP HZ3 H 1.693 4.862 -3.908 1.00 . A A . 4 TRP HZ3 1 1
3 459 1 1 4 TRP N N -0.515 0.338 0.082 1.00 . A A . 4 TRP N 1 1
3 460 1 1 4 TRP NE1 N -2.506 2.003 -2.736 1.00 . A A . 4 TRP NE1 1 1
3 461 1 1 4 TRP O O 0.581 2.449 2.718 1.00 . A A . 4 TRP O 1 1
3 462 1 1 5 TRP C C 2.880 -0.506 3.931 1.00 . A A . 5 TRP C 1 1
3 463 1 1 5 TRP CA C 1.496 0.129 3.791 1.00 . A A . 5 TRP CA 1 1
3 464 1 1 5 TRP CB C 0.490 -0.760 4.510 1.00 . A A . 5 TRP CB 1 1
3 465 1 1 5 TRP CD1 C -0.600 -1.644 2.423 1.00 . A A . 5 TRP CD1 1 1
3 466 1 1 5 TRP CD2 C -2.091 -0.741 3.832 1.00 . A A . 5 TRP CD2 1 1
3 467 1 1 5 TRP CE2 C -2.815 -1.234 2.724 1.00 . A A . 5 TRP CE2 1 1
3 468 1 1 5 TRP CE3 C -2.805 -0.115 4.862 1.00 . A A . 5 TRP CE3 1 1
3 469 1 1 5 TRP CG C -0.680 -1.038 3.623 1.00 . A A . 5 TRP CG 1 1
3 470 1 1 5 TRP CH2 C -4.898 -0.489 3.672 1.00 . A A . 5 TRP CH2 1 1
3 471 1 1 5 TRP CZ2 C -4.198 -1.113 2.638 1.00 . A A . 5 TRP CZ2 1 1
3 472 1 1 5 TRP CZ3 C -4.202 0.013 4.783 1.00 . A A . 5 TRP CZ3 1 1
3 473 1 1 5 TRP H H 1.067 -0.483 1.807 1.00 . A A . 5 TRP H 1 1
3 474 1 1 5 TRP HA H 1.505 1.089 4.273 1.00 . A A . 5 TRP HA 1 1
3 475 1 1 5 TRP HB2 H 0.963 -1.695 4.754 1.00 . A A . 5 TRP HB2 1 1
3 476 1 1 5 TRP HB3 H 0.157 -0.281 5.411 1.00 . A A . 5 TRP HB3 1 1
3 477 1 1 5 TRP HD1 H 0.300 -1.978 1.944 1.00 . A A . 5 TRP HD1 1 1
3 478 1 1 5 TRP HE1 H -2.064 -2.202 1.053 1.00 . A A . 5 TRP HE1 1 1
3 479 1 1 5 TRP HE3 H -2.276 0.284 5.709 1.00 . A A . 5 TRP HE3 1 1
3 480 1 1 5 TRP HH2 H -5.972 -0.388 3.616 1.00 . A A . 5 TRP HH2 1 1
3 481 1 1 5 TRP HZ2 H -4.722 -1.503 1.775 1.00 . A A . 5 TRP HZ2 1 1
3 482 1 1 5 TRP HZ3 H -4.744 0.497 5.582 1.00 . A A . 5 TRP HZ3 1 1
3 483 1 1 5 TRP N N 1.064 0.286 2.413 1.00 . A A . 5 TRP N 1 1
3 484 1 1 5 TRP NE1 N -1.858 -1.775 1.903 1.00 . A A . 5 TRP NE1 1 1
3 485 1 1 5 TRP O O 3.777 0.059 4.557 1.00 . A A . 5 TRP O 1 1
3 486 1 1 6 TRP C C 5.360 -2.172 2.568 1.00 . A A . 6 TRP C 1 1
3 487 1 1 6 TRP CA C 4.243 -2.491 3.583 1.00 . A A . 6 TRP CA 1 1
3 488 1 1 6 TRP CB C 3.900 -3.984 3.516 1.00 . A A . 6 TRP CB 1 1
3 489 1 1 6 TRP CD1 C 1.567 -3.942 2.592 1.00 . A A . 6 TRP CD1 1 1
3 490 1 1 6 TRP CD2 C 3.045 -4.841 1.165 1.00 . A A . 6 TRP CD2 1 1
3 491 1 1 6 TRP CE2 C 1.791 -4.879 0.520 1.00 . A A . 6 TRP CE2 1 1
3 492 1 1 6 TRP CE3 C 4.158 -5.353 0.483 1.00 . A A . 6 TRP CE3 1 1
3 493 1 1 6 TRP CG C 2.874 -4.231 2.473 1.00 . A A . 6 TRP CG 1 1
3 494 1 1 6 TRP CH2 C 2.761 -5.925 -1.425 1.00 . A A . 6 TRP CH2 1 1
3 495 1 1 6 TRP CZ2 C 1.645 -5.412 -0.761 1.00 . A A . 6 TRP CZ2 1 1
3 496 1 1 6 TRP CZ3 C 4.017 -5.893 -0.807 1.00 . A A . 6 TRP CZ3 1 1
3 497 1 1 6 TRP H H 2.226 -2.137 3.009 1.00 . A A . 6 TRP H 1 1
3 498 1 1 6 TRP HA H 4.632 -2.295 4.569 1.00 . A A . 6 TRP HA 1 1
3 499 1 1 6 TRP HB2 H 4.774 -4.549 3.274 1.00 . A A . 6 TRP HB2 1 1
3 500 1 1 6 TRP HB3 H 3.512 -4.305 4.473 1.00 . A A . 6 TRP HB3 1 1
3 501 1 1 6 TRP HD1 H 1.102 -3.480 3.447 1.00 . A A . 6 TRP HD1 1 1
3 502 1 1 6 TRP HE1 H -0.022 -4.180 1.254 1.00 . A A . 6 TRP HE1 1 1
3 503 1 1 6 TRP HE3 H 5.130 -5.321 0.949 1.00 . A A . 6 TRP HE3 1 1
3 504 1 1 6 TRP HH2 H 2.657 -6.340 -2.417 1.00 . A A . 6 TRP HH2 1 1
3 505 1 1 6 TRP HZ2 H 0.676 -5.438 -1.231 1.00 . A A . 6 TRP HZ2 1 1
3 506 1 1 6 TRP HZ3 H 4.881 -6.289 -1.321 1.00 . A A . 6 TRP HZ3 1 1
3 507 1 1 6 TRP N N 3.005 -1.721 3.427 1.00 . A A . 6 TRP N 1 1
3 508 1 1 6 TRP NE1 N 0.924 -4.304 1.427 1.00 . A A . 6 TRP NE1 1 1
3 509 1 1 6 TRP O O 6.411 -1.655 2.948 1.00 . A A . 6 TRP O 1 1
3 510 1 1 7 TRP C C 6.716 -0.900 0.189 1.00 . A A . 7 TRP C 1 1
3 511 1 1 7 TRP CA C 6.207 -2.341 0.281 1.00 . A A . 7 TRP CA 1 1
3 512 1 1 7 TRP CB C 5.674 -2.749 -1.089 1.00 . A A . 7 TRP CB 1 1
3 513 1 1 7 TRP CD1 C 3.259 -2.124 -1.099 1.00 . A A . 7 TRP CD1 1 1
3 514 1 1 7 TRP CD2 C 4.547 -0.605 -2.122 1.00 . A A . 7 TRP CD2 1 1
3 515 1 1 7 TRP CE2 C 3.227 -0.121 -2.190 1.00 . A A . 7 TRP CE2 1 1
3 516 1 1 7 TRP CE3 C 5.569 0.165 -2.694 1.00 . A A . 7 TRP CE3 1 1
3 517 1 1 7 TRP CG C 4.535 -1.874 -1.423 1.00 . A A . 7 TRP CG 1 1
3 518 1 1 7 TRP CH2 C 3.956 1.848 -3.375 1.00 . A A . 7 TRP CH2 1 1
3 519 1 1 7 TRP CZ2 C 2.925 1.093 -2.808 1.00 . A A . 7 TRP CZ2 1 1
3 520 1 1 7 TRP CZ3 C 5.276 1.386 -3.317 1.00 . A A . 7 TRP CZ3 1 1
3 521 1 1 7 TRP H H 4.332 -2.990 1.059 1.00 . A A . 7 TRP H 1 1
3 522 1 1 7 TRP HA H 7.042 -2.981 0.519 1.00 . A A . 7 TRP HA 1 1
3 523 1 1 7 TRP HB2 H 6.441 -2.624 -1.830 1.00 . A A . 7 TRP HB2 1 1
3 524 1 1 7 TRP HB3 H 5.353 -3.775 -1.068 1.00 . A A . 7 TRP HB3 1 1
3 525 1 1 7 TRP HD1 H 2.905 -2.988 -0.568 1.00 . A A . 7 TRP HD1 1 1
3 526 1 1 7 TRP HE1 H 1.521 -1.021 -1.410 1.00 . A A . 7 TRP HE1 1 1
3 527 1 1 7 TRP HE3 H 6.585 -0.180 -2.644 1.00 . A A . 7 TRP HE3 1 1
3 528 1 1 7 TRP HH2 H 3.738 2.790 -3.849 1.00 . A A . 7 TRP HH2 1 1
3 529 1 1 7 TRP HZ2 H 1.905 1.445 -2.849 1.00 . A A . 7 TRP HZ2 1 1
3 530 1 1 7 TRP HZ3 H 6.071 1.971 -3.755 1.00 . A A . 7 TRP HZ3 1 1
3 531 1 1 7 TRP N N 5.165 -2.538 1.304 1.00 . A A . 7 TRP N 1 1
3 532 1 1 7 TRP NE1 N 2.481 -1.084 -1.539 1.00 . A A . 7 TRP NE1 1 1
3 533 1 1 7 TRP O O 7.542 -0.599 -0.672 1.00 . A A . 7 TRP O 1 1
3 534 1 1 8 LEU C C 8.013 1.501 1.813 1.00 . A A . 8 LEU C 1 1
3 535 1 1 8 LEU CA C 6.730 1.372 1.005 1.00 . A A . 8 LEU CA 1 1
3 536 1 1 8 LEU CB C 5.679 2.347 1.556 1.00 . A A . 8 LEU CB 1 1
3 537 1 1 8 LEU CD1 C 3.261 2.698 2.081 1.00 . A A . 8 LEU CD1 1 1
3 538 1 1 8 LEU CD2 C 3.911 1.611 -0.066 1.00 . A A . 8 LEU CD2 1 1
3 539 1 1 8 LEU CG C 4.273 1.763 1.409 1.00 . A A . 8 LEU CG 1 1
3 540 1 1 8 LEU H H 5.617 -0.282 1.746 1.00 . A A . 8 LEU H 1 1
3 541 1 1 8 LEU HA H 6.937 1.631 -0.028 1.00 . A A . 8 LEU HA 1 1
3 542 1 1 8 LEU HB2 H 5.877 2.536 2.602 1.00 . A A . 8 LEU HB2 1 1
3 543 1 1 8 LEU HB3 H 5.735 3.278 1.010 1.00 . A A . 8 LEU HB3 1 1
3 544 1 1 8 LEU HD11 H 3.751 3.612 2.378 1.00 . A A . 8 LEU HD11 1 1
3 545 1 1 8 LEU HD12 H 2.853 2.214 2.951 1.00 . A A . 8 LEU HD12 1 1
3 546 1 1 8 LEU HD13 H 2.464 2.929 1.387 1.00 . A A . 8 LEU HD13 1 1
3 547 1 1 8 LEU HD21 H 4.777 1.299 -0.620 1.00 . A A . 8 LEU HD21 1 1
3 548 1 1 8 LEU HD22 H 3.555 2.552 -0.454 1.00 . A A . 8 LEU HD22 1 1
3 549 1 1 8 LEU HD23 H 3.136 0.867 -0.158 1.00 . A A . 8 LEU HD23 1 1
3 550 1 1 8 LEU HG H 4.239 0.795 1.882 1.00 . A A . 8 LEU HG 1 1
3 551 1 1 8 LEU N N 6.258 -0.011 1.060 1.00 . A A . 8 LEU N 1 1
3 552 1 1 8 LEU O O 8.865 2.336 1.509 1.00 . A A . 8 LEU O 1 1
3 553 1 1 9 NH2 HN1 H 7.514 0.049 3.070 1.00 . A A . 9 NH2 HN1 1 1
3 554 1 1 9 NH2 HN2 H 9.014 0.778 3.362 1.00 . A A . 9 NH2 HN2 1 1
3 555 1 1 9 NH2 N N 8.197 0.712 2.834 1.00 . A A . 9 NH2 N 1 1
4 556 1 1 1 ARG C C -5.808 -0.596 -0.140 1.00 . A A . 1 ARG C 1 1
4 557 1 1 1 ARG CA C -6.214 0.866 -0.287 1.00 . A A . 1 ARG CA 1 1
4 558 1 1 1 ARG CB C -5.981 1.319 -1.731 1.00 . A A . 1 ARG CB 1 1
4 559 1 1 1 ARG CD C -7.995 2.730 -2.236 1.00 . A A . 1 ARG CD 1 1
4 560 1 1 1 ARG CG C -6.496 2.753 -1.919 1.00 . A A . 1 ARG CG 1 1
4 561 1 1 1 ARG CZ C -9.477 1.481 -3.697 1.00 . A A . 1 ARG CZ 1 1
4 562 1 1 1 ARG H1 H -5.945 1.895 1.503 1.00 . A A . 1 ARG H1 1 1
4 563 1 1 1 ARG H2 H -5.171 2.609 0.171 1.00 . A A . 1 ARG H2 1 1
4 564 1 1 1 ARG H3 H -4.524 1.207 0.881 1.00 . A A . 1 ARG H3 1 1
4 565 1 1 1 ARG HA H -7.259 0.973 -0.042 1.00 . A A . 1 ARG HA 1 1
4 566 1 1 1 ARG HB2 H -4.924 1.284 -1.952 1.00 . A A . 1 ARG HB2 1 1
4 567 1 1 1 ARG HB3 H -6.507 0.656 -2.402 1.00 . A A . 1 ARG HB3 1 1
4 568 1 1 1 ARG HD2 H -8.534 2.323 -1.394 1.00 . A A . 1 ARG HD2 1 1
4 569 1 1 1 ARG HD3 H -8.334 3.738 -2.422 1.00 . A A . 1 ARG HD3 1 1
4 570 1 1 1 ARG HE H -7.510 1.677 -4.010 1.00 . A A . 1 ARG HE 1 1
4 571 1 1 1 ARG HG2 H -6.329 3.317 -1.013 1.00 . A A . 1 ARG HG2 1 1
4 572 1 1 1 ARG HG3 H -5.966 3.220 -2.735 1.00 . A A . 1 ARG HG3 1 1
4 573 1 1 1 ARG HH11 H -8.919 0.515 -5.360 1.00 . A A . 1 ARG HH11 1 1
4 574 1 1 1 ARG HH12 H -10.605 0.425 -4.971 1.00 . A A . 1 ARG HH12 1 1
4 575 1 1 1 ARG HH21 H -10.316 2.347 -2.100 1.00 . A A . 1 ARG HH21 1 1
4 576 1 1 1 ARG HH22 H -11.396 1.462 -3.125 1.00 . A A . 1 ARG HH22 1 1
4 577 1 1 1 ARG N N -5.402 1.708 0.637 1.00 . A A . 1 ARG N 1 1
4 578 1 1 1 ARG NE N -8.252 1.912 -3.415 1.00 . A A . 1 ARG NE 1 1
4 579 1 1 1 ARG NH1 N -9.683 0.750 -4.759 1.00 . A A . 1 ARG NH1 1 1
4 580 1 1 1 ARG NH2 N -10.474 1.787 -2.913 1.00 . A A . 1 ARG NH2 1 1
4 581 1 1 1 ARG O O -6.662 -1.479 -0.089 1.00 . A A . 1 ARG O 1 1
4 582 1 1 2 LYS C C -2.501 -2.278 -0.214 1.00 . A A . 2 LYS C 1 1
4 583 1 1 2 LYS CA C -3.998 -2.213 0.052 1.00 . A A . 2 LYS CA 1 1
4 584 1 1 2 LYS CB C -4.728 -3.123 -0.947 1.00 . A A . 2 LYS CB 1 1
4 585 1 1 2 LYS CD C -4.627 -3.111 -3.480 1.00 . A A . 2 LYS CD 1 1
4 586 1 1 2 LYS CE C -5.798 -3.959 -3.981 1.00 . A A . 2 LYS CE 1 1
4 587 1 1 2 LYS CG C -5.052 -2.325 -2.231 1.00 . A A . 2 LYS CG 1 1
4 588 1 1 2 LYS H H -3.862 -0.102 -0.130 1.00 . A A . 2 LYS H 1 1
4 589 1 1 2 LYS HA H -4.182 -2.566 1.045 1.00 . A A . 2 LYS HA 1 1
4 590 1 1 2 LYS HB2 H -4.103 -3.971 -1.184 1.00 . A A . 2 LYS HB2 1 1
4 591 1 1 2 LYS HB3 H -5.649 -3.474 -0.503 1.00 . A A . 2 LYS HB3 1 1
4 592 1 1 2 LYS HD2 H -4.333 -2.415 -4.252 1.00 . A A . 2 LYS HD2 1 1
4 593 1 1 2 LYS HD3 H -3.792 -3.752 -3.242 1.00 . A A . 2 LYS HD3 1 1
4 594 1 1 2 LYS HE2 H -6.378 -4.306 -3.139 1.00 . A A . 2 LYS HE2 1 1
4 595 1 1 2 LYS HE3 H -6.423 -3.358 -4.626 1.00 . A A . 2 LYS HE3 1 1
4 596 1 1 2 LYS HG2 H -6.114 -2.132 -2.275 1.00 . A A . 2 LYS HG2 1 1
4 597 1 1 2 LYS HG3 H -4.523 -1.382 -2.217 1.00 . A A . 2 LYS HG3 1 1
4 598 1 1 2 LYS HZ1 H -5.151 -5.935 -4.098 1.00 . A A . 2 LYS HZ1 1 1
4 599 1 1 2 LYS HZ2 H -4.361 -4.882 -5.171 1.00 . A A . 2 LYS HZ2 1 1
4 600 1 1 2 LYS HZ3 H -5.951 -5.386 -5.489 1.00 . A A . 2 LYS HZ3 1 1
4 601 1 1 2 LYS N N -4.498 -0.846 -0.079 1.00 . A A . 2 LYS N 1 1
4 602 1 1 2 LYS NZ N -5.276 -5.129 -4.742 1.00 . A A . 2 LYS NZ 1 1
4 603 1 1 2 LYS O O -1.825 -3.215 0.209 1.00 . A A . 2 LYS O 1 1
4 604 1 1 3 ILE C C 0.090 0.034 -0.829 1.00 . A A . 3 ILE C 1 1
4 605 1 1 3 ILE CA C -0.588 -1.254 -1.298 1.00 . A A . 3 ILE CA 1 1
4 606 1 1 3 ILE CB C -0.474 -1.419 -2.809 1.00 . A A . 3 ILE CB 1 1
4 607 1 1 3 ILE CD1 C -1.195 -0.189 -4.888 1.00 . A A . 3 ILE CD1 1 1
4 608 1 1 3 ILE CG1 C -0.558 -0.047 -3.503 1.00 . A A . 3 ILE CG1 1 1
4 609 1 1 3 ILE CG2 C -1.626 -2.305 -3.275 1.00 . A A . 3 ILE CG2 1 1
4 610 1 1 3 ILE H H -2.596 -0.589 -1.268 1.00 . A A . 3 ILE H 1 1
4 611 1 1 3 ILE HA H -0.089 -2.088 -0.828 1.00 . A A . 3 ILE HA 1 1
4 612 1 1 3 ILE HB H 0.459 -1.897 -3.042 1.00 . A A . 3 ILE HB 1 1
4 613 1 1 3 ILE HD11 H -0.790 -1.058 -5.385 1.00 . A A . 3 ILE HD11 1 1
4 614 1 1 3 ILE HD12 H -0.983 0.694 -5.473 1.00 . A A . 3 ILE HD12 1 1
4 615 1 1 3 ILE HD13 H -2.265 -0.299 -4.782 1.00 . A A . 3 ILE HD13 1 1
4 616 1 1 3 ILE HG12 H -1.160 0.618 -2.906 1.00 . A A . 3 ILE HG12 1 1
4 617 1 1 3 ILE HG13 H 0.434 0.364 -3.610 1.00 . A A . 3 ILE HG13 1 1
4 618 1 1 3 ILE HG21 H -1.426 -2.671 -4.269 1.00 . A A . 3 ILE HG21 1 1
4 619 1 1 3 ILE HG22 H -2.533 -1.724 -3.278 1.00 . A A . 3 ILE HG22 1 1
4 620 1 1 3 ILE HG23 H -1.735 -3.138 -2.596 1.00 . A A . 3 ILE HG23 1 1
4 621 1 1 3 ILE N N -2.001 -1.294 -0.942 1.00 . A A . 3 ILE N 1 1
4 622 1 1 3 ILE O O 1.069 0.471 -1.419 1.00 . A A . 3 ILE O 1 1
4 623 1 1 4 TRP C C 0.619 1.792 2.100 1.00 . A A . 4 TRP C 1 1
4 624 1 1 4 TRP CA C 0.124 1.922 0.677 1.00 . A A . 4 TRP CA 1 1
4 625 1 1 4 TRP CB C -0.925 3.017 0.553 1.00 . A A . 4 TRP CB 1 1
4 626 1 1 4 TRP CD1 C -2.644 2.347 -1.162 1.00 . A A . 4 TRP CD1 1 1
4 627 1 1 4 TRP CD2 C -0.835 3.323 -2.068 1.00 . A A . 4 TRP CD2 1 1
4 628 1 1 4 TRP CE2 C -1.686 2.982 -3.139 1.00 . A A . 4 TRP CE2 1 1
4 629 1 1 4 TRP CE3 C 0.386 3.958 -2.362 1.00 . A A . 4 TRP CE3 1 1
4 630 1 1 4 TRP CG C -1.465 2.912 -0.827 1.00 . A A . 4 TRP CG 1 1
4 631 1 1 4 TRP CH2 C -0.123 3.884 -4.738 1.00 . A A . 4 TRP CH2 1 1
4 632 1 1 4 TRP CZ2 C -1.338 3.253 -4.458 1.00 . A A . 4 TRP CZ2 1 1
4 633 1 1 4 TRP CZ3 C 0.738 4.238 -3.690 1.00 . A A . 4 TRP CZ3 1 1
4 634 1 1 4 TRP H H -1.252 0.303 0.622 1.00 . A A . 4 TRP H 1 1
4 635 1 1 4 TRP HA H 0.960 2.178 0.050 1.00 . A A . 4 TRP HA 1 1
4 636 1 1 4 TRP HB2 H -1.712 2.859 1.279 1.00 . A A . 4 TRP HB2 1 1
4 637 1 1 4 TRP HB3 H -0.471 3.985 0.697 1.00 . A A . 4 TRP HB3 1 1
4 638 1 1 4 TRP HD1 H -3.357 1.931 -0.468 1.00 . A A . 4 TRP HD1 1 1
4 639 1 1 4 TRP HE1 H -3.545 2.032 -3.040 1.00 . A A . 4 TRP HE1 1 1
4 640 1 1 4 TRP HE3 H 1.054 4.235 -1.560 1.00 . A A . 4 TRP HE3 1 1
4 641 1 1 4 TRP HH2 H 0.152 4.101 -5.760 1.00 . A A . 4 TRP HH2 1 1
4 642 1 1 4 TRP HZ2 H -1.996 2.971 -5.257 1.00 . A A . 4 TRP HZ2 1 1
4 643 1 1 4 TRP HZ3 H 1.677 4.725 -3.906 1.00 . A A . 4 TRP HZ3 1 1
4 644 1 1 4 TRP N N -0.447 0.666 0.196 1.00 . A A . 4 TRP N 1 1
4 645 1 1 4 TRP NE1 N -2.778 2.382 -2.537 1.00 . A A . 4 TRP NE1 1 1
4 646 1 1 4 TRP O O 0.537 2.738 2.884 1.00 . A A . 4 TRP O 1 1
4 647 1 1 5 TRP C C 2.831 -0.470 3.904 1.00 . A A . 5 TRP C 1 1
4 648 1 1 5 TRP CA C 1.553 0.367 3.807 1.00 . A A . 5 TRP CA 1 1
4 649 1 1 5 TRP CB C 0.454 -0.391 4.544 1.00 . A A . 5 TRP CB 1 1
4 650 1 1 5 TRP CD1 C -0.848 -1.005 2.470 1.00 . A A . 5 TRP CD1 1 1
4 651 1 1 5 TRP CD2 C -2.111 0.058 3.995 1.00 . A A . 5 TRP CD2 1 1
4 652 1 1 5 TRP CE2 C -2.948 -0.241 2.898 1.00 . A A . 5 TRP CE2 1 1
4 653 1 1 5 TRP CE3 C -2.672 0.734 5.092 1.00 . A A . 5 TRP CE3 1 1
4 654 1 1 5 TRP CG C -0.777 -0.446 3.701 1.00 . A A . 5 TRP CG 1 1
4 655 1 1 5 TRP CH2 C -4.838 0.784 3.981 1.00 . A A . 5 TRP CH2 1 1
4 656 1 1 5 TRP CZ2 C -4.290 0.113 2.885 1.00 . A A . 5 TRP CZ2 1 1
4 657 1 1 5 TRP CZ3 C -4.030 1.096 5.084 1.00 . A A . 5 TRP CZ3 1 1
4 658 1 1 5 TRP H H 1.113 -0.127 1.796 1.00 . A A . 5 TRP H 1 1
4 659 1 1 5 TRP HA H 1.708 1.307 4.301 1.00 . A A . 5 TRP HA 1 1
4 660 1 1 5 TRP HB2 H 0.788 -1.397 4.725 1.00 . A A . 5 TRP HB2 1 1
4 661 1 1 5 TRP HB3 H 0.235 0.093 5.479 1.00 . A A . 5 TRP HB3 1 1
4 662 1 1 5 TRP HD1 H -0.035 -1.468 1.937 1.00 . A A . 5 TRP HD1 1 1
4 663 1 1 5 TRP HE1 H -2.435 -1.224 1.144 1.00 . A A . 5 TRP HE1 1 1
4 664 1 1 5 TRP HE3 H -2.056 0.978 5.943 1.00 . A A . 5 TRP HE3 1 1
4 665 1 1 5 TRP HH2 H -5.882 1.064 3.979 1.00 . A A . 5 TRP HH2 1 1
4 666 1 1 5 TRP HZ2 H -4.902 -0.131 2.031 1.00 . A A . 5 TRP HZ2 1 1
4 667 1 1 5 TRP HZ3 H -4.452 1.615 5.931 1.00 . A A . 5 TRP HZ3 1 1
4 668 1 1 5 TRP N N 1.097 0.603 2.448 1.00 . A A . 5 TRP N 1 1
4 669 1 1 5 TRP NE1 N -2.128 -0.891 2.003 1.00 . A A . 5 TRP NE1 1 1
4 670 1 1 5 TRP O O 3.821 -0.054 4.506 1.00 . A A . 5 TRP O 1 1
4 671 1 1 6 TRP C C 5.014 -2.473 2.556 1.00 . A A . 6 TRP C 1 1
4 672 1 1 6 TRP CA C 3.832 -2.660 3.530 1.00 . A A . 6 TRP CA 1 1
4 673 1 1 6 TRP CB C 3.241 -4.071 3.371 1.00 . A A . 6 TRP CB 1 1
4 674 1 1 6 TRP CD1 C 0.874 -3.629 2.647 1.00 . A A . 6 TRP CD1 1 1
4 675 1 1 6 TRP CD2 C 2.122 -4.531 1.019 1.00 . A A . 6 TRP CD2 1 1
4 676 1 1 6 TRP CE2 C 0.834 -4.333 0.475 1.00 . A A . 6 TRP CE2 1 1
4 677 1 1 6 TRP CE3 C 3.108 -5.094 0.197 1.00 . A A . 6 TRP CE3 1 1
4 678 1 1 6 TRP CG C 2.122 -4.062 2.393 1.00 . A A . 6 TRP CG 1 1
4 679 1 1 6 TRP CH2 C 1.524 -5.251 -1.646 1.00 . A A . 6 TRP CH2 1 1
4 680 1 1 6 TRP CZ2 C 0.532 -4.686 -0.840 1.00 . A A . 6 TRP CZ2 1 1
4 681 1 1 6 TRP CZ3 C 2.811 -5.453 -1.128 1.00 . A A . 6 TRP CZ3 1 1
4 682 1 1 6 TRP H H 1.889 -1.977 3.017 1.00 . A A . 6 TRP H 1 1
4 683 1 1 6 TRP HA H 4.223 -2.586 4.531 1.00 . A A . 6 TRP HA 1 1
4 684 1 1 6 TRP HB2 H 3.993 -4.744 3.016 1.00 . A A . 6 TRP HB2 1 1
4 685 1 1 6 TRP HB3 H 2.869 -4.413 4.325 1.00 . A A . 6 TRP HB3 1 1
4 686 1 1 6 TRP HD1 H 0.530 -3.217 3.582 1.00 . A A . 6 TRP HD1 1 1
4 687 1 1 6 TRP HE1 H -0.819 -3.512 1.421 1.00 . A A . 6 TRP HE1 1 1
4 688 1 1 6 TRP HE3 H 4.104 -5.242 0.584 1.00 . A A . 6 TRP HE3 1 1
4 689 1 1 6 TRP HH2 H 1.300 -5.529 -2.665 1.00 . A A . 6 TRP HH2 1 1
4 690 1 1 6 TRP HZ2 H -0.461 -4.527 -1.232 1.00 . A A . 6 TRP HZ2 1 1
4 691 1 1 6 TRP HZ3 H 3.578 -5.891 -1.751 1.00 . A A . 6 TRP HZ3 1 1
4 692 1 1 6 TRP N N 2.741 -1.692 3.404 1.00 . A A . 6 TRP N 1 1
4 693 1 1 6 TRP NE1 N 0.114 -3.770 1.505 1.00 . A A . 6 TRP NE1 1 1
4 694 1 1 6 TRP O O 6.123 -2.160 2.989 1.00 . A A . 6 TRP O 1 1
4 695 1 1 7 TRP C C 6.556 -1.266 0.210 1.00 . A A . 7 TRP C 1 1
4 696 1 1 7 TRP CA C 5.894 -2.644 0.286 1.00 . A A . 7 TRP CA 1 1
4 697 1 1 7 TRP CB C 5.365 -2.986 -1.099 1.00 . A A . 7 TRP CB 1 1
4 698 1 1 7 TRP CD1 C 3.072 -2.009 -1.121 1.00 . A A . 7 TRP CD1 1 1
4 699 1 1 7 TRP CD2 C 4.563 -0.740 -2.205 1.00 . A A . 7 TRP CD2 1 1
4 700 1 1 7 TRP CE2 C 3.332 -0.069 -2.290 1.00 . A A . 7 TRP CE2 1 1
4 701 1 1 7 TRP CE3 C 5.684 -0.155 -2.807 1.00 . A A . 7 TRP CE3 1 1
4 702 1 1 7 TRP CG C 4.366 -1.967 -1.462 1.00 . A A . 7 TRP CG 1 1
4 703 1 1 7 TRP CH2 C 4.337 1.723 -3.555 1.00 . A A . 7 TRP CH2 1 1
4 704 1 1 7 TRP CZ2 C 3.209 1.153 -2.957 1.00 . A A . 7 TRP CZ2 1 1
4 705 1 1 7 TRP CZ3 C 5.573 1.072 -3.478 1.00 . A A . 7 TRP CZ3 1 1
4 706 1 1 7 TRP H H 3.913 -3.019 0.978 1.00 . A A . 7 TRP H 1 1
4 707 1 1 7 TRP HA H 6.646 -3.372 0.548 1.00 . A A . 7 TRP HA 1 1
4 708 1 1 7 TRP HB2 H 6.168 -2.961 -1.813 1.00 . A A . 7 TRP HB2 1 1
4 709 1 1 7 TRP HB3 H 4.911 -3.961 -1.095 1.00 . A A . 7 TRP HB3 1 1
4 710 1 1 7 TRP HD1 H 2.598 -2.785 -0.555 1.00 . A A . 7 TRP HD1 1 1
4 711 1 1 7 TRP HE1 H 1.518 -0.677 -1.463 1.00 . A A . 7 TRP HE1 1 1
4 712 1 1 7 TRP HE3 H 6.638 -0.647 -2.741 1.00 . A A . 7 TRP HE3 1 1
4 713 1 1 7 TRP HH2 H 4.257 2.667 -4.068 1.00 . A A . 7 TRP HH2 1 1
4 714 1 1 7 TRP HZ2 H 2.254 1.652 -3.013 1.00 . A A . 7 TRP HZ2 1 1
4 715 1 1 7 TRP HZ3 H 6.444 1.512 -3.941 1.00 . A A . 7 TRP HZ3 1 1
4 716 1 1 7 TRP N N 4.801 -2.725 1.270 1.00 . A A . 7 TRP N 1 1
4 717 1 1 7 TRP NE1 N 2.456 -0.885 -1.595 1.00 . A A . 7 TRP NE1 1 1
4 718 1 1 7 TRP O O 7.459 -1.067 -0.602 1.00 . A A . 7 TRP O 1 1
4 719 1 1 8 LEU C C 8.033 0.989 1.805 1.00 . A A . 8 LEU C 1 1
4 720 1 1 8 LEU CA C 6.754 1.006 0.987 1.00 . A A . 8 LEU CA 1 1
4 721 1 1 8 LEU CB C 5.817 2.088 1.539 1.00 . A A . 8 LEU CB 1 1
4 722 1 1 8 LEU CD1 C 3.451 2.731 1.994 1.00 . A A . 8 LEU CD1 1 1
4 723 1 1 8 LEU CD2 C 4.076 1.822 -0.244 1.00 . A A . 8 LEU CD2 1 1
4 724 1 1 8 LEU CG C 4.358 1.738 1.254 1.00 . A A . 8 LEU CG 1 1
4 725 1 1 8 LEU H H 5.427 -0.502 1.680 1.00 . A A . 8 LEU H 1 1
4 726 1 1 8 LEU HA H 6.996 1.245 -0.042 1.00 . A A . 8 LEU HA 1 1
4 727 1 1 8 LEU HB2 H 5.958 2.173 2.607 1.00 . A A . 8 LEU HB2 1 1
4 728 1 1 8 LEU HB3 H 6.053 3.034 1.075 1.00 . A A . 8 LEU HB3 1 1
4 729 1 1 8 LEU HD11 H 3.045 2.258 2.870 1.00 . A A . 8 LEU HD11 1 1
4 730 1 1 8 LEU HD12 H 2.647 3.044 1.346 1.00 . A A . 8 LEU HD12 1 1
4 731 1 1 8 LEU HD13 H 4.026 3.597 2.289 1.00 . A A . 8 LEU HD13 1 1
4 732 1 1 8 LEU HD21 H 4.820 1.260 -0.782 1.00 . A A . 8 LEU HD21 1 1
4 733 1 1 8 LEU HD22 H 4.100 2.852 -0.562 1.00 . A A . 8 LEU HD22 1 1
4 734 1 1 8 LEU HD23 H 3.098 1.408 -0.440 1.00 . A A . 8 LEU HD23 1 1
4 735 1 1 8 LEU HG H 4.156 0.735 1.597 1.00 . A A . 8 LEU HG 1 1
4 736 1 1 8 LEU N N 6.136 -0.316 1.035 1.00 . A A . 8 LEU N 1 1
4 737 1 1 8 LEU O O 8.966 1.743 1.530 1.00 . A A . 8 LEU O 1 1
4 738 1 1 9 NH2 HN1 H 7.375 -0.436 3.016 1.00 . A A . 9 NH2 HN1 1 1
4 739 1 1 9 NH2 HN2 H 8.934 0.131 3.341 1.00 . A A . 9 NH2 HN2 1 1
4 740 1 1 9 NH2 N N 8.124 0.160 2.804 1.00 . A A . 9 NH2 N 1 1
5 741 1 1 1 ARG C C -5.820 -0.267 -0.492 1.00 . A A . 1 ARG C 1 1
5 742 1 1 1 ARG CA C -6.067 1.237 -0.594 1.00 . A A . 1 ARG CA 1 1
5 743 1 1 1 ARG CB C -6.251 1.841 0.804 1.00 . A A . 1 ARG CB 1 1
5 744 1 1 1 ARG CD C -8.558 2.849 0.773 1.00 . A A . 1 ARG CD 1 1
5 745 1 1 1 ARG CG C -7.053 3.147 0.704 1.00 . A A . 1 ARG CG 1 1
5 746 1 1 1 ARG CZ C -10.558 3.573 -0.398 1.00 . A A . 1 ARG CZ 1 1
5 747 1 1 1 ARG H1 H -7.982 0.716 -1.223 1.00 . A A . 1 ARG H1 1 1
5 748 1 1 1 ARG H2 H -7.047 1.487 -2.413 1.00 . A A . 1 ARG H2 1 1
5 749 1 1 1 ARG H3 H -7.714 2.388 -1.138 1.00 . A A . 1 ARG H3 1 1
5 750 1 1 1 ARG HA H -5.226 1.704 -1.081 1.00 . A A . 1 ARG HA 1 1
5 751 1 1 1 ARG HB2 H -6.780 1.140 1.435 1.00 . A A . 1 ARG HB2 1 1
5 752 1 1 1 ARG HB3 H -5.284 2.051 1.234 1.00 . A A . 1 ARG HB3 1 1
5 753 1 1 1 ARG HD2 H -8.747 1.848 0.413 1.00 . A A . 1 ARG HD2 1 1
5 754 1 1 1 ARG HD3 H -8.892 2.927 1.798 1.00 . A A . 1 ARG HD3 1 1
5 755 1 1 1 ARG HE H -8.855 4.624 -0.346 1.00 . A A . 1 ARG HE 1 1
5 756 1 1 1 ARG HG2 H -6.779 3.798 1.522 1.00 . A A . 1 ARG HG2 1 1
5 757 1 1 1 ARG HG3 H -6.829 3.638 -0.232 1.00 . A A . 1 ARG HG3 1 1
5 758 1 1 1 ARG HH11 H -10.738 5.276 -1.436 1.00 . A A . 1 ARG HH11 1 1
5 759 1 1 1 ARG HH12 H -12.147 4.269 -1.400 1.00 . A A . 1 ARG HH12 1 1
5 760 1 1 1 ARG HH21 H -10.670 1.818 0.560 1.00 . A A . 1 ARG HH21 1 1
5 761 1 1 1 ARG HH22 H -12.108 2.311 -0.270 1.00 . A A . 1 ARG HH22 1 1
5 762 1 1 1 ARG N N -7.295 1.475 -1.403 1.00 . A A . 1 ARG N 1 1
5 763 1 1 1 ARG NE N -9.297 3.801 -0.048 1.00 . A A . 1 ARG NE 1 1
5 764 1 1 1 ARG NH1 N -11.197 4.441 -1.136 1.00 . A A . 1 ARG NH1 1 1
5 765 1 1 1 ARG NH2 N -11.158 2.482 -0.006 1.00 . A A . 1 ARG NH2 1 1
5 766 1 1 1 ARG O O -6.759 -1.058 -0.566 1.00 . A A . 1 ARG O 1 1
5 767 1 1 2 LYS C C -2.717 -2.307 -0.292 1.00 . A A . 2 LYS C 1 1
5 768 1 1 2 LYS CA C -4.218 -2.077 -0.222 1.00 . A A . 2 LYS CA 1 1
5 769 1 1 2 LYS CB C -4.904 -2.851 -1.357 1.00 . A A . 2 LYS CB 1 1
5 770 1 1 2 LYS CD C -4.366 -2.747 -3.831 1.00 . A A . 2 LYS CD 1 1
5 771 1 1 2 LYS CE C -5.471 -3.563 -4.505 1.00 . A A . 2 LYS CE 1 1
5 772 1 1 2 LYS CG C -4.944 -1.980 -2.632 1.00 . A A . 2 LYS CG 1 1
5 773 1 1 2 LYS H H -3.841 0.014 -0.275 1.00 . A A . 2 LYS H 1 1
5 774 1 1 2 LYS HA H -4.569 -2.454 0.715 1.00 . A A . 2 LYS HA 1 1
5 775 1 1 2 LYS HB2 H -4.357 -3.763 -1.549 1.00 . A A . 2 LYS HB2 1 1
5 776 1 1 2 LYS HB3 H -5.912 -3.102 -1.063 1.00 . A A . 2 LYS HB3 1 1
5 777 1 1 2 LYS HD2 H -3.959 -2.040 -4.541 1.00 . A A . 2 LYS HD2 1 1
5 778 1 1 2 LYS HD3 H -3.581 -3.408 -3.498 1.00 . A A . 2 LYS HD3 1 1
5 779 1 1 2 LYS HE2 H -6.142 -3.953 -3.754 1.00 . A A . 2 LYS HE2 1 1
5 780 1 1 2 LYS HE3 H -6.021 -2.928 -5.185 1.00 . A A . 2 LYS HE3 1 1
5 781 1 1 2 LYS HG2 H -5.967 -1.703 -2.845 1.00 . A A . 2 LYS HG2 1 1
5 782 1 1 2 LYS HG3 H -4.362 -1.082 -2.478 1.00 . A A . 2 LYS HG3 1 1
5 783 1 1 2 LYS HZ1 H -4.631 -4.380 -6.227 1.00 . A A . 2 LYS HZ1 1 1
5 784 1 1 2 LYS HZ2 H -5.538 -5.483 -5.307 1.00 . A A . 2 LYS HZ2 1 1
5 785 1 1 2 LYS HZ3 H -3.994 -5.004 -4.784 1.00 . A A . 2 LYS HZ3 1 1
5 786 1 1 2 LYS N N -4.554 -0.657 -0.325 1.00 . A A . 2 LYS N 1 1
5 787 1 1 2 LYS NZ N -4.862 -4.693 -5.262 1.00 . A A . 2 LYS NZ 1 1
5 788 1 1 2 LYS O O -2.235 -3.389 0.041 1.00 . A A . 2 LYS O 1 1
5 789 1 1 3 ILE C C 0.233 -0.362 -0.115 1.00 . A A . 3 ILE C 1 1
5 790 1 1 3 ILE CA C -0.542 -1.436 -0.891 1.00 . A A . 3 ILE CA 1 1
5 791 1 1 3 ILE CB C -0.220 -1.359 -2.375 1.00 . A A . 3 ILE CB 1 1
5 792 1 1 3 ILE CD1 C -0.277 0.174 -4.361 1.00 . A A . 3 ILE CD1 1 1
5 793 1 1 3 ILE CG1 C -0.230 0.107 -2.834 1.00 . A A . 3 ILE CG1 1 1
5 794 1 1 3 ILE CG2 C -1.286 -2.135 -3.150 1.00 . A A . 3 ILE CG2 1 1
5 795 1 1 3 ILE H H -2.424 -0.472 -1.025 1.00 . A A . 3 ILE H 1 1
5 796 1 1 3 ILE HA H -0.241 -2.403 -0.531 1.00 . A A . 3 ILE HA 1 1
5 797 1 1 3 ILE HB H 0.738 -1.798 -2.553 1.00 . A A . 3 ILE HB 1 1
5 798 1 1 3 ILE HD11 H 0.057 1.147 -4.688 1.00 . A A . 3 ILE HD11 1 1
5 799 1 1 3 ILE HD12 H -1.291 0.011 -4.697 1.00 . A A . 3 ILE HD12 1 1
5 800 1 1 3 ILE HD13 H 0.366 -0.587 -4.776 1.00 . A A . 3 ILE HD13 1 1
5 801 1 1 3 ILE HG12 H -1.099 0.602 -2.427 1.00 . A A . 3 ILE HG12 1 1
5 802 1 1 3 ILE HG13 H 0.659 0.602 -2.483 1.00 . A A . 3 ILE HG13 1 1
5 803 1 1 3 ILE HG21 H -2.194 -1.555 -3.179 1.00 . A A . 3 ILE HG21 1 1
5 804 1 1 3 ILE HG22 H -1.475 -3.076 -2.656 1.00 . A A . 3 ILE HG22 1 1
5 805 1 1 3 ILE HG23 H -0.941 -2.319 -4.155 1.00 . A A . 3 ILE HG23 1 1
5 806 1 1 3 ILE N N -1.985 -1.305 -0.753 1.00 . A A . 3 ILE N 1 1
5 807 1 1 3 ILE O O 1.349 -0.591 0.349 1.00 . A A . 3 ILE O 1 1
5 808 1 1 4 TRP C C 0.658 1.749 2.076 1.00 . A A . 4 TRP C 1 1
5 809 1 1 4 TRP CA C 0.246 1.970 0.628 1.00 . A A . 4 TRP CA 1 1
5 810 1 1 4 TRP CB C -0.723 3.132 0.515 1.00 . A A . 4 TRP CB 1 1
5 811 1 1 4 TRP CD1 C -2.385 2.552 -1.277 1.00 . A A . 4 TRP CD1 1 1
5 812 1 1 4 TRP CD2 C -0.526 3.521 -2.079 1.00 . A A . 4 TRP CD2 1 1
5 813 1 1 4 TRP CE2 C -1.338 3.229 -3.194 1.00 . A A . 4 TRP CE2 1 1
5 814 1 1 4 TRP CE3 C 0.714 4.142 -2.301 1.00 . A A . 4 TRP CE3 1 1
5 815 1 1 4 TRP CG C -1.215 3.088 -0.880 1.00 . A A . 4 TRP CG 1 1
5 816 1 1 4 TRP CH2 C 0.308 4.154 -4.697 1.00 . A A . 4 TRP CH2 1 1
5 817 1 1 4 TRP CZ2 C -0.930 3.537 -4.490 1.00 . A A . 4 TRP CZ2 1 1
5 818 1 1 4 TRP CZ3 C 1.129 4.457 -3.601 1.00 . A A . 4 TRP CZ3 1 1
5 819 1 1 4 TRP H H -1.237 0.919 -0.452 1.00 . A A . 4 TRP H 1 1
5 820 1 1 4 TRP HA H 1.128 2.223 0.073 1.00 . A A . 4 TRP HA 1 1
5 821 1 1 4 TRP HB2 H -1.541 3.002 1.214 1.00 . A A . 4 TRP HB2 1 1
5 822 1 1 4 TRP HB3 H -0.215 4.066 0.699 1.00 . A A . 4 TRP HB3 1 1
5 823 1 1 4 TRP HD1 H -3.132 2.128 -0.626 1.00 . A A . 4 TRP HD1 1 1
5 824 1 1 4 TRP HE1 H -3.211 2.304 -3.192 1.00 . A A . 4 TRP HE1 1 1
5 825 1 1 4 TRP HE3 H 1.353 4.380 -1.462 1.00 . A A . 4 TRP HE3 1 1
5 826 1 1 4 TRP HH2 H 0.631 4.397 -5.698 1.00 . A A . 4 TRP HH2 1 1
5 827 1 1 4 TRP HZ2 H -1.560 3.295 -5.325 1.00 . A A . 4 TRP HZ2 1 1
5 828 1 1 4 TRP HZ3 H 2.086 4.932 -3.757 1.00 . A A . 4 TRP HZ3 1 1
5 829 1 1 4 TRP N N -0.359 0.809 -0.028 1.00 . A A . 4 TRP N 1 1
5 830 1 1 4 TRP NE1 N -2.462 2.628 -2.653 1.00 . A A . 4 TRP NE1 1 1
5 831 1 1 4 TRP O O 0.560 2.666 2.891 1.00 . A A . 4 TRP O 1 1
5 832 1 1 5 TRP C C 2.787 -0.532 3.906 1.00 . A A . 5 TRP C 1 1
5 833 1 1 5 TRP CA C 1.499 0.281 3.794 1.00 . A A . 5 TRP CA 1 1
5 834 1 1 5 TRP CB C 0.391 -0.509 4.479 1.00 . A A . 5 TRP CB 1 1
5 835 1 1 5 TRP CD1 C -0.877 -1.091 2.399 1.00 . A A . 5 TRP CD1 1 1
5 836 1 1 5 TRP CD2 C -2.150 0.009 3.882 1.00 . A A . 5 TRP CD2 1 1
5 837 1 1 5 TRP CE2 C -2.971 -0.282 2.771 1.00 . A A . 5 TRP CE2 1 1
5 838 1 1 5 TRP CE3 C -2.716 0.708 4.961 1.00 . A A . 5 TRP CE3 1 1
5 839 1 1 5 TRP CG C -0.824 -0.530 3.621 1.00 . A A . 5 TRP CG 1 1
5 840 1 1 5 TRP CH2 C -4.859 0.799 3.807 1.00 . A A . 5 TRP CH2 1 1
5 841 1 1 5 TRP CZ2 C -4.306 0.103 2.727 1.00 . A A . 5 TRP CZ2 1 1
5 842 1 1 5 TRP CZ3 C -4.064 1.102 4.922 1.00 . A A . 5 TRP CZ3 1 1
5 843 1 1 5 TRP H H 1.161 -0.162 1.741 1.00 . A A . 5 TRP H 1 1
5 844 1 1 5 TRP HA H 1.624 1.213 4.317 1.00 . A A . 5 TRP HA 1 1
5 845 1 1 5 TRP HB2 H 0.725 -1.521 4.620 1.00 . A A . 5 TRP HB2 1 1
5 846 1 1 5 TRP HB3 H 0.159 -0.069 5.430 1.00 . A A . 5 TRP HB3 1 1
5 847 1 1 5 TRP HD1 H -0.060 -1.571 1.895 1.00 . A A . 5 TRP HD1 1 1
5 848 1 1 5 TRP HE1 H -2.434 -1.294 1.039 1.00 . A A . 5 TRP HE1 1 1
5 849 1 1 5 TRP HE3 H -2.111 0.949 5.820 1.00 . A A . 5 TRP HE3 1 1
5 850 1 1 5 TRP HH2 H -5.895 1.103 3.781 1.00 . A A . 5 TRP HH2 1 1
5 851 1 1 5 TRP HZ2 H -4.907 -0.136 1.866 1.00 . A A . 5 TRP HZ2 1 1
5 852 1 1 5 TRP HZ3 H -4.492 1.639 5.756 1.00 . A A . 5 TRP HZ3 1 1
5 853 1 1 5 TRP N N 1.104 0.547 2.414 1.00 . A A . 5 TRP N 1 1
5 854 1 1 5 TRP NE1 N -2.143 -0.958 1.901 1.00 . A A . 5 TRP NE1 1 1
5 855 1 1 5 TRP O O 3.746 -0.118 4.559 1.00 . A A . 5 TRP O 1 1
5 856 1 1 6 TRP C C 5.039 -2.420 2.482 1.00 . A A . 6 TRP C 1 1
5 857 1 1 6 TRP CA C 3.870 -2.665 3.454 1.00 . A A . 6 TRP CA 1 1
5 858 1 1 6 TRP CB C 3.323 -4.085 3.260 1.00 . A A . 6 TRP CB 1 1
5 859 1 1 6 TRP CD1 C 0.986 -3.685 2.445 1.00 . A A . 6 TRP CD1 1 1
5 860 1 1 6 TRP CD2 C 2.313 -4.551 0.858 1.00 . A A . 6 TRP CD2 1 1
5 861 1 1 6 TRP CE2 C 1.044 -4.377 0.269 1.00 . A A . 6 TRP CE2 1 1
5 862 1 1 6 TRP CE3 C 3.340 -5.088 0.070 1.00 . A A . 6 TRP CE3 1 1
5 863 1 1 6 TRP CG C 2.250 -4.092 2.236 1.00 . A A . 6 TRP CG 1 1
5 864 1 1 6 TRP CH2 C 1.827 -5.267 -1.829 1.00 . A A . 6 TRP CH2 1 1
5 865 1 1 6 TRP CZ2 C 0.796 -4.726 -1.057 1.00 . A A . 6 TRP CZ2 1 1
5 866 1 1 6 TRP CZ3 C 3.098 -5.446 -1.269 1.00 . A A . 6 TRP CZ3 1 1
5 867 1 1 6 TRP H H 1.925 -2.012 2.904 1.00 . A A . 6 TRP H 1 1
5 868 1 1 6 TRP HA H 4.257 -2.600 4.459 1.00 . A A . 6 TRP HA 1 1
5 869 1 1 6 TRP HB2 H 4.105 -4.736 2.932 1.00 . A A . 6 TRP HB2 1 1
5 870 1 1 6 TRP HB3 H 2.918 -4.444 4.193 1.00 . A A . 6 TRP HB3 1 1
5 871 1 1 6 TRP HD1 H 0.600 -3.286 3.367 1.00 . A A . 6 TRP HD1 1 1
5 872 1 1 6 TRP HE1 H -0.656 -3.590 1.158 1.00 . A A . 6 TRP HE1 1 1
5 873 1 1 6 TRP HE3 H 4.325 -5.216 0.491 1.00 . A A . 6 TRP HE3 1 1
5 874 1 1 6 TRP HH2 H 1.645 -5.542 -2.858 1.00 . A A . 6 TRP HH2 1 1
5 875 1 1 6 TRP HZ2 H -0.185 -4.586 -1.483 1.00 . A A . 6 TRP HZ2 1 1
5 876 1 1 6 TRP HZ3 H 3.894 -5.863 -1.865 1.00 . A A . 6 TRP HZ3 1 1
5 877 1 1 6 TRP N N 2.751 -1.727 3.342 1.00 . A A . 6 TRP N 1 1
5 878 1 1 6 TRP NE1 N 0.275 -3.832 1.275 1.00 . A A . 6 TRP NE1 1 1
5 879 1 1 6 TRP O O 6.139 -2.076 2.915 1.00 . A A . 6 TRP O 1 1
5 880 1 1 7 TRP C C 6.576 -1.136 0.218 1.00 . A A . 7 TRP C 1 1
5 881 1 1 7 TRP CA C 5.906 -2.513 0.201 1.00 . A A . 7 TRP CA 1 1
5 882 1 1 7 TRP CB C 5.363 -2.762 -1.201 1.00 . A A . 7 TRP CB 1 1
5 883 1 1 7 TRP CD1 C 3.068 -1.768 -1.201 1.00 . A A . 7 TRP CD1 1 1
5 884 1 1 7 TRP CD2 C 4.592 -0.442 -2.170 1.00 . A A . 7 TRP CD2 1 1
5 885 1 1 7 TRP CE2 C 3.366 0.247 -2.233 1.00 . A A . 7 TRP CE2 1 1
5 886 1 1 7 TRP CE3 C 5.730 0.170 -2.709 1.00 . A A . 7 TRP CE3 1 1
5 887 1 1 7 TRP CG C 4.372 -1.713 -1.511 1.00 . A A . 7 TRP CG 1 1
5 888 1 1 7 TRP CH2 C 4.418 2.108 -3.354 1.00 . A A . 7 TRP CH2 1 1
5 889 1 1 7 TRP CZ2 C 3.272 1.513 -2.819 1.00 . A A . 7 TRP CZ2 1 1
5 890 1 1 7 TRP CZ3 C 5.645 1.438 -3.298 1.00 . A A . 7 TRP CZ3 1 1
5 891 1 1 7 TRP H H 3.945 -2.969 0.900 1.00 . A A . 7 TRP H 1 1
5 892 1 1 7 TRP HA H 6.656 -3.259 0.408 1.00 . A A . 7 TRP HA 1 1
5 893 1 1 7 TRP HB2 H 6.163 -2.706 -1.916 1.00 . A A . 7 TRP HB2 1 1
5 894 1 1 7 TRP HB3 H 4.899 -3.728 -1.252 1.00 . A A . 7 TRP HB3 1 1
5 895 1 1 7 TRP HD1 H 2.578 -2.582 -0.697 1.00 . A A . 7 TRP HD1 1 1
5 896 1 1 7 TRP HE1 H 1.529 -0.396 -1.491 1.00 . A A . 7 TRP HE1 1 1
5 897 1 1 7 TRP HE3 H 6.677 -0.335 -2.661 1.00 . A A . 7 TRP HE3 1 1
5 898 1 1 7 TRP HH2 H 4.360 3.084 -3.802 1.00 . A A . 7 TRP HH2 1 1
5 899 1 1 7 TRP HZ2 H 2.324 2.027 -2.860 1.00 . A A . 7 TRP HZ2 1 1
5 900 1 1 7 TRP HZ3 H 6.529 1.900 -3.713 1.00 . A A . 7 TRP HZ3 1 1
5 901 1 1 7 TRP N N 4.826 -2.653 1.192 1.00 . A A . 7 TRP N 1 1
5 902 1 1 7 TRP NE1 N 2.469 -0.604 -1.613 1.00 . A A . 7 TRP NE1 1 1
5 903 1 1 7 TRP O O 7.452 -0.874 -0.605 1.00 . A A . 7 TRP O 1 1
5 904 1 1 8 LEU C C 8.084 0.993 2.022 1.00 . A A . 8 LEU C 1 1
5 905 1 1 8 LEU CA C 6.813 1.060 1.189 1.00 . A A . 8 LEU CA 1 1
5 906 1 1 8 LEU CB C 5.859 2.095 1.796 1.00 . A A . 8 LEU CB 1 1
5 907 1 1 8 LEU CD1 C 3.468 2.697 2.202 1.00 . A A . 8 LEU CD1 1 1
5 908 1 1 8 LEU CD2 C 4.168 1.872 -0.038 1.00 . A A . 8 LEU CD2 1 1
5 909 1 1 8 LEU CG C 4.410 1.742 1.462 1.00 . A A . 8 LEU CG 1 1
5 910 1 1 8 LEU H H 5.505 -0.503 1.788 1.00 . A A . 8 LEU H 1 1
5 911 1 1 8 LEU HA H 7.068 1.369 0.180 1.00 . A A . 8 LEU HA 1 1
5 912 1 1 8 LEU HB2 H 5.983 2.112 2.870 1.00 . A A . 8 LEU HB2 1 1
5 913 1 1 8 LEU HB3 H 6.089 3.071 1.395 1.00 . A A . 8 LEU HB3 1 1
5 914 1 1 8 LEU HD11 H 2.693 3.038 1.532 1.00 . A A . 8 LEU HD11 1 1
5 915 1 1 8 LEU HD12 H 4.024 3.548 2.565 1.00 . A A . 8 LEU HD12 1 1
5 916 1 1 8 LEU HD13 H 3.022 2.184 3.034 1.00 . A A . 8 LEU HD13 1 1
5 917 1 1 8 LEU HD21 H 4.159 2.913 -0.317 1.00 . A A . 8 LEU HD21 1 1
5 918 1 1 8 LEU HD22 H 3.214 1.428 -0.275 1.00 . A A . 8 LEU HD22 1 1
5 919 1 1 8 LEU HD23 H 4.948 1.360 -0.574 1.00 . A A . 8 LEU HD23 1 1
5 920 1 1 8 LEU HG H 4.210 0.725 1.765 1.00 . A A . 8 LEU HG 1 1
5 921 1 1 8 LEU N N 6.193 -0.262 1.138 1.00 . A A . 8 LEU N 1 1
5 922 1 1 8 LEU O O 8.995 1.801 1.845 1.00 . A A . 8 LEU O 1 1
5 923 1 1 9 NH2 HN1 H 7.462 -0.576 3.065 1.00 . A A . 9 NH2 HN1 1 1
5 924 1 1 9 NH2 HN2 H 8.998 0.005 3.474 1.00 . A A . 9 NH2 HN2 1 1
5 925 1 1 9 NH2 N N 8.192 0.064 2.929 1.00 . A A . 9 NH2 N 1 1
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